smiles zinc_id prot_id files.db2 substance.inchikey net_charge ph_mod_fk substance.mwt substance.logp purchasable reactive features tranche_name C[C@@H]1CN(c2nccnc2C#N)[C@@H](C)C[N@@H+]1C ZINC001164630593 719153668 /nfs/dbraw/zinc/15/36/68/719153668.db2.gz JKZCOUTVCKKMGY-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC000301686775 719367492 /nfs/dbraw/zinc/36/74/92/719367492.db2.gz XFLAXDHCXIBSJS-NEPJUHHUSA-N 1 0 244.298 0.472 20 30 BCEDRO N#CCNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602086248 349433586 /nfs/dbraw/zinc/43/35/86/349433586.db2.gz OFZYTCCRPFZIPP-JTQLQIEISA-N 1 0 207.277 0.643 20 30 BCEDRO C[NH+](C)CC1(C(=O)N2CCOC[C@H]2C#N)CC1 ZINC000602106653 349442769 /nfs/dbraw/zinc/44/27/69/349442769.db2.gz FGVVVARMGLTCPX-SNVBAGLBSA-N 1 0 237.303 0.079 20 30 BCEDRO C=CC[N@H+](CCN1CCOCC1)C1CC1 ZINC000357556987 136210572 /nfs/dbraw/zinc/21/05/72/136210572.db2.gz XFVQAJPJKQJBGB-UHFFFAOYSA-N 1 0 210.321 0.969 20 30 BCEDRO C=C(C)CNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418328633 192025415 /nfs/dbraw/zinc/02/54/15/192025415.db2.gz AASURKZBTVQZJG-SNVBAGLBSA-N 1 0 211.309 0.861 20 30 BCEDRO C=C[C@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OC ZINC000322392975 343977742 /nfs/dbraw/zinc/97/77/42/343977742.db2.gz QZWYZJQPFPXPQV-YATPEIPISA-N 1 0 238.331 0.929 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(CC#N)C2)C1 ZINC000602178957 349461808 /nfs/dbraw/zinc/46/18/08/349461808.db2.gz MBUMDZIMNKBFEQ-JTQLQIEISA-N 1 0 221.304 0.700 20 30 BCEDRO N#CC1CN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000602160103 349465316 /nfs/dbraw/zinc/46/53/16/349465316.db2.gz LEWBIWJCSRPZAA-LBPRGKRZSA-N 1 0 233.315 0.985 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@@H](C)[NH+](C)C)C(=O)OC ZINC000602197149 349473169 /nfs/dbraw/zinc/47/31/69/349473169.db2.gz ULKQRESVONXMFR-ZJUUUORDSA-N 1 0 242.319 0.561 20 30 BCEDRO C[C@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[NH+](C)C ZINC000602166794 349467376 /nfs/dbraw/zinc/46/73/76/349467376.db2.gz JSVIQKXULRKBOG-KXUCPTDWSA-N 1 0 209.293 0.745 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418348327 192026505 /nfs/dbraw/zinc/02/65/05/192026505.db2.gz RDUQBYFGQOJMMS-NXEZZACHSA-N 1 0 211.309 0.860 20 30 BCEDRO C#CCOc1ccc(CN(C)CC(N)=O)cc1 ZINC000271058331 398144237 /nfs/dbraw/zinc/14/42/37/398144237.db2.gz VDEMEWIQHJDVOI-UHFFFAOYSA-N 1 0 232.283 0.616 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237409237 136212607 /nfs/dbraw/zinc/21/26/07/136212607.db2.gz GKEHIQRFTWCHMF-NXEZZACHSA-N 1 0 212.293 0.527 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@]2(CO)CCOC2)s1 ZINC000184192825 398169765 /nfs/dbraw/zinc/16/97/65/398169765.db2.gz AOTVFORYBNUORY-NSHDSACASA-N 1 0 238.312 0.861 20 30 BCEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CC#N ZINC000408438215 398170139 /nfs/dbraw/zinc/17/01/39/398170139.db2.gz GLTXAMWIIXINNW-SNVBAGLBSA-N 1 0 239.319 0.204 20 30 BCEDRO C=CCCOCC(=O)N1CCC([NH3+])CC1 ZINC000390329098 398171959 /nfs/dbraw/zinc/17/19/59/398171959.db2.gz KAFDHNUJGLGWTI-UHFFFAOYSA-N 1 0 212.293 0.529 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)C[NH2+]C ZINC000424205061 398175351 /nfs/dbraw/zinc/17/53/51/398175351.db2.gz FRYMXIKRAMGLMM-DCAQKATOSA-N 1 0 226.320 0.549 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]([NH3+])C2CCC2)nn1 ZINC000424207090 398176624 /nfs/dbraw/zinc/17/66/24/398176624.db2.gz IKVICGDJKFUEHS-LLVKDONJSA-N 1 0 249.318 0.208 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C[NH3+])C(C)C ZINC000424207172 398176630 /nfs/dbraw/zinc/17/66/30/398176630.db2.gz IOTRVXPNUMXDMK-TUAOUCFPSA-N 1 0 240.347 0.925 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H](COC)C2CC2)nn1 ZINC000424290437 398178996 /nfs/dbraw/zinc/17/89/96/398178996.db2.gz BUIPNKMGFONZAM-GFCCVEGCSA-N 1 0 236.319 0.979 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCN(CC)[C@H](C)C1 ZINC000649396029 398197840 /nfs/dbraw/zinc/19/78/40/398197840.db2.gz SUFXROIKDPHYKU-VXGBXAGGSA-N 1 0 212.337 0.949 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cc(CO)ccc1F ZINC000625564751 398200293 /nfs/dbraw/zinc/20/02/93/398200293.db2.gz XJMSCIDHLDPJLA-LLVKDONJSA-N 1 0 225.263 0.955 20 30 BCEDRO CC#CCN(C)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000615407060 365563247 /nfs/dbraw/zinc/56/32/47/365563247.db2.gz PXSUYKKGTKFVEA-SNVBAGLBSA-N 1 0 231.299 0.996 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)CN(C)CC ZINC000576289443 365553820 /nfs/dbraw/zinc/55/38/20/365553820.db2.gz DRECFKWBWXSOOU-UPJWGTAASA-N 1 0 242.363 0.622 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000494685157 538927237 /nfs/dbraw/zinc/92/72/37/538927237.db2.gz ILFOXKAMZXXHJM-AVGNSLFASA-N 1 0 242.363 0.574 20 30 BCEDRO COC[C@@H](O)C[NH2+]CC(C)(C)CC#N ZINC000576391310 365582759 /nfs/dbraw/zinc/58/27/59/365582759.db2.gz RXNBOGYSPXWMBB-VIFPVBQESA-N 1 0 200.282 0.523 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000336766552 136221037 /nfs/dbraw/zinc/22/10/37/136221037.db2.gz RQWXYBIGQLNUFM-LBPRGKRZSA-N 1 0 212.337 0.997 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000122474018 136222224 /nfs/dbraw/zinc/22/22/24/136222224.db2.gz GSIXILGHLWFJMJ-AEJSXWLSSA-N 1 0 212.293 0.574 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418378031 192030043 /nfs/dbraw/zinc/03/00/43/192030043.db2.gz CBPSLFQZRHRZBS-WDEREUQCSA-N 1 0 243.351 0.454 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418397730 192033027 /nfs/dbraw/zinc/03/30/27/192033027.db2.gz JQQVAIUOFIAQLF-GHMZBOCLSA-N 1 0 241.335 0.350 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418397733 192032880 /nfs/dbraw/zinc/03/28/80/192032880.db2.gz JQQVAIUOFIAQLF-WDEREUQCSA-N 1 0 241.335 0.350 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418394762 192032439 /nfs/dbraw/zinc/03/24/39/192032439.db2.gz BCTRVSWEOPZZBX-JTQLQIEISA-N 1 0 211.309 0.634 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418407848 192033478 /nfs/dbraw/zinc/03/34/78/192033478.db2.gz MDXRBRXBJVBOSK-AXFHLTTASA-N 1 0 241.335 0.350 20 30 BCEDRO C=C[C@H](CO)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418442832 192036228 /nfs/dbraw/zinc/03/62/28/192036228.db2.gz FFPMKMXVHLUEGO-NEPJUHHUSA-N 1 0 249.314 0.533 20 30 BCEDRO N#CC1(C(=O)NCCC[NH3+])CC2(CC2)C1 ZINC000602420733 349528697 /nfs/dbraw/zinc/52/86/97/349528697.db2.gz DRTWACSJYYVNCH-UHFFFAOYSA-N 1 0 207.277 0.535 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CSC ZINC000576578104 365629010 /nfs/dbraw/zinc/62/90/10/365629010.db2.gz FGNHBQCFRZQTFS-AEJSXWLSSA-N 1 0 217.334 0.643 20 30 BCEDRO C=CCCN(C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418465616 192037937 /nfs/dbraw/zinc/03/79/37/192037937.db2.gz NNGFPEVRNRQSRD-SNVBAGLBSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191593781 136228563 /nfs/dbraw/zinc/22/85/63/136228563.db2.gz IVPRHYRGBZUWID-NSHDSACASA-N 1 0 219.288 0.923 20 30 BCEDRO C=CCCOCC(=O)N(C)CCC[NH3+] ZINC000380357909 398249986 /nfs/dbraw/zinc/24/99/86/398249986.db2.gz XEVIONIHURXXCL-UHFFFAOYSA-N 1 0 200.282 0.386 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000381518057 398254348 /nfs/dbraw/zinc/25/43/48/398254348.db2.gz SQWYNQRHBIIZSA-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO C=C[C@@H](C(=O)OC)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000301052033 349556261 /nfs/dbraw/zinc/55/62/61/349556261.db2.gz VJQPJOVJUWXRDZ-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CCCN(C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418483410 192040632 /nfs/dbraw/zinc/04/06/32/192040632.db2.gz CFJCBYUVRMJMMD-JTQLQIEISA-N 1 0 211.309 0.941 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C1(C#N)CCC1 ZINC000602485554 349568206 /nfs/dbraw/zinc/56/82/06/349568206.db2.gz NFLXWBWMQJTNSI-VHSXEESVSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@@H](CCC#N)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000602488112 349569207 /nfs/dbraw/zinc/56/92/07/349569207.db2.gz ZLFXTTPDMSBZPO-GARJFASQSA-N 1 0 212.293 0.354 20 30 BCEDRO C=CCNC(=O)CN1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000346191643 136233889 /nfs/dbraw/zinc/23/38/89/136233889.db2.gz OLBXYAAZNSBXJV-RYUDHWBXSA-N 1 0 239.363 0.703 20 30 BCEDRO C=C[C@@](C)(CC)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000442821045 398269327 /nfs/dbraw/zinc/26/93/27/398269327.db2.gz LSXHANOJBAKJCR-QWHCGFSZSA-N 1 0 240.347 0.772 20 30 BCEDRO CC[NH2+][C@H](C)C(=O)N1CC[C@](C)(C#N)C1 ZINC000602536415 349603903 /nfs/dbraw/zinc/60/39/03/349603903.db2.gz SVGYHEHHMPVNHH-MWLCHTKSSA-N 1 0 209.293 0.747 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCC1 ZINC000602536640 349603917 /nfs/dbraw/zinc/60/39/17/349603917.db2.gz VUFGMRRFIKNXJG-RKDXNWHRSA-N 1 0 225.267 0.578 20 30 BCEDRO CN(CCOCC[NH3+])C(=O)c1cccc(C#N)c1 ZINC000602550141 349592066 /nfs/dbraw/zinc/59/20/66/349592066.db2.gz HJCVSEYWYKTHRV-UHFFFAOYSA-N 1 0 247.298 0.606 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000378863277 346849116 /nfs/dbraw/zinc/84/91/16/346849116.db2.gz VCFQOKUZXSOVGU-PWSUYJOCSA-N 1 0 224.304 0.283 20 30 BCEDRO COC[C@H](O)CC[NH2+]C[C@H](C)CCC#N ZINC000602579348 349607477 /nfs/dbraw/zinc/60/74/77/349607477.db2.gz JZEQKIKANVYNSF-GHMZBOCLSA-N 1 0 214.309 0.913 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418489989 192041361 /nfs/dbraw/zinc/04/13/61/192041361.db2.gz PKXUMLRIFJQNBE-SCZZXKLOSA-N 1 0 211.309 0.988 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418489990 192041492 /nfs/dbraw/zinc/04/14/92/192041492.db2.gz PKXUMLRIFJQNBE-WCBMZHEXSA-N 1 0 211.309 0.988 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NCC[NH2+]CCC ZINC000418489934 192041847 /nfs/dbraw/zinc/04/18/47/192041847.db2.gz PCBXITCHSKWQBY-LLVKDONJSA-N 1 0 243.351 0.612 20 30 BCEDRO N#Cc1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000309584698 342714439 /nfs/dbraw/zinc/71/44/39/342714439.db2.gz RTMWXBDEFKPAQU-DTORHVGOSA-N 1 0 215.260 0.004 20 30 BCEDRO N#Cc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)o1 ZINC000309582558 342715915 /nfs/dbraw/zinc/71/59/15/342715915.db2.gz QVSFJCYQHSFEPS-NXEZZACHSA-N 1 0 217.272 0.802 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000602592019 349614728 /nfs/dbraw/zinc/61/47/28/349614728.db2.gz GNKHOIGMCPVAOO-CKYFFXLPSA-N 1 0 221.304 0.747 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000320993753 342749048 /nfs/dbraw/zinc/74/90/48/342749048.db2.gz JOBXHCWUXNRPPM-YUMQZZPRSA-N 1 0 227.226 0.826 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000616156952 398279789 /nfs/dbraw/zinc/27/97/89/398279789.db2.gz QLTSEYAKCVNSAK-DGCLKSJQSA-N 1 0 240.347 0.865 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)CCC[NH+](C)C ZINC000613260094 361870057 /nfs/dbraw/zinc/87/00/57/361870057.db2.gz QABBLEGYNZXAGJ-NSHDSACASA-N 1 0 214.309 0.334 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000320075885 342732024 /nfs/dbraw/zinc/73/20/24/342732024.db2.gz ARSXWYJEJYOSSC-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000616384518 342749771 /nfs/dbraw/zinc/74/97/71/342749771.db2.gz RYACBIPKYPSMES-ZYHUDNBSSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@H](O)Cn1cccn1 ZINC000320255965 342732880 /nfs/dbraw/zinc/73/28/80/342732880.db2.gz JCPJZGJCBSVWAA-NEPJUHHUSA-N 1 0 239.319 0.161 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000320641445 342734490 /nfs/dbraw/zinc/73/44/90/342734490.db2.gz MVWSMFZHYUKSQY-YUMQZZPRSA-N 1 0 227.226 0.826 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC1([NH2+]C)CCC1 ZINC000630003114 361890886 /nfs/dbraw/zinc/89/08/86/361890886.db2.gz VMYOHUXPMYUZKR-JTQLQIEISA-N 1 0 212.293 0.182 20 30 BCEDRO C[C@@H](C(=O)NCC#N)[NH+]1[C@H](C)CC[C@H]1C ZINC000126512125 398283899 /nfs/dbraw/zinc/28/38/99/398283899.db2.gz YEPYVLHBUYNSNL-BBBLOLIVSA-N 1 0 209.293 0.887 20 30 BCEDRO C=CCCOCC(=O)NCC1([NH2+]C)CCC1 ZINC000629999425 361884004 /nfs/dbraw/zinc/88/40/04/361884004.db2.gz ISTCQOHKEGWXFS-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)COCC ZINC000321091298 342750567 /nfs/dbraw/zinc/75/05/67/342750567.db2.gz DLSWSTMRMATHJF-WDEREUQCSA-N 1 0 217.309 0.301 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](O)COCC ZINC000321091294 342750666 /nfs/dbraw/zinc/75/06/66/342750666.db2.gz DLSWSTMRMATHJF-GHMZBOCLSA-N 1 0 217.309 0.301 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000616386577 342751516 /nfs/dbraw/zinc/75/15/16/342751516.db2.gz XDZAYUGSPVXOOD-UWVGGRQHSA-N 1 0 212.293 0.086 20 30 BCEDRO COC[C@](C)(O)C[NH2+]Cc1nc(C#N)cs1 ZINC000309671168 342780046 /nfs/dbraw/zinc/78/00/46/342780046.db2.gz WARBTJSONGAWNK-SNVBAGLBSA-N 1 0 241.316 0.502 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000602594468 349619583 /nfs/dbraw/zinc/61/95/83/349619583.db2.gz XGYBXCXLNKYXTK-IUCAKERBSA-N 1 0 245.273 0.992 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)CCC1C[NH2+]C1 ZINC000602594211 349623259 /nfs/dbraw/zinc/62/32/59/349623259.db2.gz VNWHIJWSGCIGET-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO CN1CC[NH2+]C[C@H]1CNc1ncccc1C#N ZINC000394726369 342815061 /nfs/dbraw/zinc/81/50/61/342815061.db2.gz IJWMGZLGYWNSTQ-NSHDSACASA-N 1 0 231.303 0.269 20 30 BCEDRO CN1CC[NH2+]C[C@H]1CNc1ccc(C#N)nc1 ZINC000394740629 342820581 /nfs/dbraw/zinc/82/05/81/342820581.db2.gz QRWNTYQBRSPHAA-LBPRGKRZSA-N 1 0 231.303 0.269 20 30 BCEDRO N#CCC(=O)N1CCC[C@H](N2CCOCC2)C1 ZINC000394545680 342805604 /nfs/dbraw/zinc/80/56/04/342805604.db2.gz DSPFZZIUUGCCCT-NSHDSACASA-N 1 0 237.303 0.223 20 30 BCEDRO N#CCC(=O)N1CCC[C@@H](N2CCOCC2)C1 ZINC000394545664 342805643 /nfs/dbraw/zinc/80/56/43/342805643.db2.gz DSPFZZIUUGCCCT-LLVKDONJSA-N 1 0 237.303 0.223 20 30 BCEDRO C[C@H]([NH3+])CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000602603456 349626055 /nfs/dbraw/zinc/62/60/55/349626055.db2.gz SDPNMCSXCQOUBX-GUBZILKMSA-N 1 0 209.293 0.874 20 30 BCEDRO CC(C)C[C@H](C#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000260196777 349625501 /nfs/dbraw/zinc/62/55/01/349625501.db2.gz VESBJUKESSGVLE-WDEREUQCSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000602604637 349627259 /nfs/dbraw/zinc/62/72/59/349627259.db2.gz GTQWDFWEKJJRDC-SNVBAGLBSA-N 1 0 249.318 0.669 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000668008319 488183163 /nfs/dbraw/zinc/18/31/63/488183163.db2.gz TYJQHXTTXDNEMP-MNOVXSKESA-N 1 0 224.304 0.230 20 30 BCEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCc1nnnn1C ZINC000381235942 538996574 /nfs/dbraw/zinc/99/65/74/538996574.db2.gz LYWKWQFDNXMBQO-VHSXEESVSA-N 1 0 223.324 0.943 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000382046356 398300632 /nfs/dbraw/zinc/30/06/32/398300632.db2.gz ZNLUECSNYJBMRZ-MXWKQRLJSA-N 1 0 206.289 0.937 20 30 BCEDRO COC[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000164993608 342864146 /nfs/dbraw/zinc/86/41/46/342864146.db2.gz PRCHUQUTGXYYJQ-JTQLQIEISA-N 1 0 211.309 0.599 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362883933 536614941 /nfs/dbraw/zinc/61/49/41/536614941.db2.gz UYGIIDIBSQJUMW-NHCYSSNCSA-N 1 0 239.319 0.229 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418551408 192049662 /nfs/dbraw/zinc/04/96/62/192049662.db2.gz POMHFZWPRMHCSH-GHMZBOCLSA-N 1 0 241.335 0.365 20 30 BCEDRO Cc1cc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)ccc1C#N ZINC000489049877 398307843 /nfs/dbraw/zinc/30/78/43/398307843.db2.gz YJPBABQGESCAJQ-BETUJISGSA-N 1 0 232.283 0.404 20 30 BCEDRO CNC(=O)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000342863219 342876793 /nfs/dbraw/zinc/87/67/93/342876793.db2.gz WNCHVQLNYGZZJJ-UHFFFAOYSA-N 1 0 243.270 0.042 20 30 BCEDRO CN1CC[C@@](O)(C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602610731 349634824 /nfs/dbraw/zinc/63/48/24/349634824.db2.gz JCBUNWXJXSICRX-WXRRBKDZSA-N 1 0 237.347 0.725 20 30 BCEDRO CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CCC[C@H]1C#N ZINC000602600961 349647259 /nfs/dbraw/zinc/64/72/59/349647259.db2.gz IFOQQAHRVLJWFN-NAKRPEOUSA-N 1 0 221.304 0.874 20 30 BCEDRO CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000602600015 349645775 /nfs/dbraw/zinc/64/57/75/349645775.db2.gz DSMGQXIATOXWBO-GARJFASQSA-N 1 0 239.319 0.501 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)O1 ZINC000602599773 349645781 /nfs/dbraw/zinc/64/57/81/349645781.db2.gz RHAVHVWWCHZHGH-ZNSHCXBVSA-N 1 0 239.319 0.690 20 30 BCEDRO CN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CCC[C@@H]1C#N ZINC000602599945 349645932 /nfs/dbraw/zinc/64/59/32/349645932.db2.gz DBFXWDLFBKXJEC-OPRDCNLKSA-N 1 0 207.277 0.499 20 30 BCEDRO CN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CCC[C@@H]1C#N ZINC000602599943 349645940 /nfs/dbraw/zinc/64/59/40/349645940.db2.gz DBFXWDLFBKXJEC-BBBLOLIVSA-N 1 0 207.277 0.499 20 30 BCEDRO CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000602600010 349646028 /nfs/dbraw/zinc/64/60/28/349646028.db2.gz DSMGQXIATOXWBO-DCAQKATOSA-N 1 0 239.319 0.501 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@@H](CC)[NH2+]C)C(=O)OC ZINC000602599847 349646100 /nfs/dbraw/zinc/64/61/00/349646100.db2.gz LMWHBPSLZVUWOK-NXEZZACHSA-N 1 0 242.319 0.608 20 30 BCEDRO C=C(C)C[C@H](NC(=O)CC1([NH3+])CC1)C(=O)OC ZINC000602599069 349646155 /nfs/dbraw/zinc/64/61/55/349646155.db2.gz GDNHCEBBIAILJJ-VIFPVBQESA-N 1 0 240.303 0.492 20 30 BCEDRO C[C@H](CCC#N)C[NH+]1CCN(C(=O)CO)CC1 ZINC000602652672 349660201 /nfs/dbraw/zinc/66/02/01/349660201.db2.gz JEBKHFORCOLFGO-LLVKDONJSA-N 1 0 239.319 0.063 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000367127223 136249675 /nfs/dbraw/zinc/24/96/75/136249675.db2.gz RHAUAEMBAKGILO-KAQJVSAMSA-N 1 0 239.319 0.563 20 30 BCEDRO C[C@H](C#N)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000260232766 349658526 /nfs/dbraw/zinc/65/85/26/349658526.db2.gz WTABSLYIHQTEPO-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@@H](C)[NH2+]CC ZINC000418594262 192055335 /nfs/dbraw/zinc/05/53/35/192055335.db2.gz UITJUGXBJBPHMG-GHMZBOCLSA-N 1 0 243.351 0.468 20 30 BCEDRO COCC[C@H](CO)[NH2+]C[C@@H](C)CCC#N ZINC000602655450 349662061 /nfs/dbraw/zinc/66/20/61/349662061.db2.gz KSTFGADYOBRWPU-WDEREUQCSA-N 1 0 214.309 0.913 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CCN1CCC(O)CC1 ZINC000602679686 349672590 /nfs/dbraw/zinc/67/25/90/349672590.db2.gz IGOGUTBBLVDQFN-GFCCVEGCSA-N 1 0 239.363 0.973 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H](C)C[NH3+] ZINC000418607764 192056249 /nfs/dbraw/zinc/05/62/49/192056249.db2.gz BRYGEIVLRCCCLA-VIFPVBQESA-N 1 0 215.297 0.178 20 30 BCEDRO CNC(=O)[C@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602698278 349694397 /nfs/dbraw/zinc/69/43/97/349694397.db2.gz NCNRRAFNASCTPS-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000659610574 488191915 /nfs/dbraw/zinc/19/19/15/488191915.db2.gz NNHSHDVGGCOZMD-WDEREUQCSA-N 1 0 241.335 0.568 20 30 BCEDRO C[N@@H+]1CC[C@H](CNc2ncncc2C#N)C1 ZINC000304501409 259335295 /nfs/dbraw/zinc/33/52/95/259335295.db2.gz VNASQSLQHVRMEI-SECBINFHSA-N 1 0 217.276 0.712 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)[C@@H]1CCCOC1 ZINC000353953881 187209799 /nfs/dbraw/zinc/20/97/99/187209799.db2.gz GSSOLENOVYFWGF-GHMZBOCLSA-N 1 0 249.318 0.554 20 30 BCEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]Cc1cnn[nH]1 ZINC000602713469 349705591 /nfs/dbraw/zinc/70/55/91/349705591.db2.gz BPINCMCHBMSSPC-SNVBAGLBSA-N 1 0 249.318 0.993 20 30 BCEDRO C[C@H](CCC#N)C[NH+](CCO)CCO ZINC000602713894 349705619 /nfs/dbraw/zinc/70/56/19/349705619.db2.gz GGJCCHKNTQGHCI-SNVBAGLBSA-N 1 0 200.282 0.213 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000602716387 349707147 /nfs/dbraw/zinc/70/71/47/349707147.db2.gz UQANKPHSLDLLFU-NWDGAFQWSA-N 1 0 225.336 0.535 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCN(C)C[C@H]1CO ZINC000602716386 349707558 /nfs/dbraw/zinc/70/75/58/349707558.db2.gz UQANKPHSLDLLFU-NEPJUHHUSA-N 1 0 225.336 0.535 20 30 BCEDRO N#CC1CCC([NH2+]CCN2CC[C@@H](O)C2)CC1 ZINC000602725629 349714774 /nfs/dbraw/zinc/71/47/74/349714774.db2.gz SBQKHKOASAWQBI-WXRRBKDZSA-N 1 0 237.347 0.725 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000602726204 349715496 /nfs/dbraw/zinc/71/54/96/349715496.db2.gz WGVHRUJJZIWHGD-QWRGUYRKSA-N 1 0 239.319 0.502 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000602726203 349715937 /nfs/dbraw/zinc/71/59/37/349715937.db2.gz WGVHRUJJZIWHGD-MNOVXSKESA-N 1 0 239.319 0.502 20 30 BCEDRO N#CCC1(C[NH+]2CCC(NC(N)=O)CC2)CC1 ZINC000602777267 349743668 /nfs/dbraw/zinc/74/36/68/349743668.db2.gz CSRFAPSBDJLCAI-UHFFFAOYSA-N 1 0 236.319 0.813 20 30 BCEDRO CCC#C[C@H](C)N1CCN(c2nccnn2)CC1 ZINC000625641984 344022724 /nfs/dbraw/zinc/02/27/24/344022724.db2.gz JLRWVUKNIQESDA-LBPRGKRZSA-N 1 0 245.330 0.796 20 30 BCEDRO CC(C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000044349483 343006928 /nfs/dbraw/zinc/00/69/28/343006928.db2.gz SZQQSCNGVLKZEK-UHFFFAOYSA-N 1 0 209.293 0.747 20 30 BCEDRO CC#CCN1CCN(C(=O)[C@H]2CCC[N@@H+]2C)CC1 ZINC000162559050 349748161 /nfs/dbraw/zinc/74/81/61/349748161.db2.gz QIKPYMVBACWNHT-CYBMUJFWSA-N 1 0 249.358 0.248 20 30 BCEDRO N#CCC1(C[N@H+]2CC[C@@H](CC(N)=O)C2)CC1 ZINC000602834670 349774354 /nfs/dbraw/zinc/77/43/54/349774354.db2.gz VZGWIRNTJRTHEB-JTQLQIEISA-N 1 0 221.304 0.878 20 30 BCEDRO C[NH+]1CCC(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175506756 343037604 /nfs/dbraw/zinc/03/76/04/343037604.db2.gz JQDKTAGVEGIMMP-UHFFFAOYSA-N 1 0 246.314 0.958 20 30 BCEDRO CCCCOCCNC(=O)CN[C@@H](C)CC#N ZINC000602859816 349770474 /nfs/dbraw/zinc/77/04/74/349770474.db2.gz AVSZSPKDZWCHPY-NSHDSACASA-N 1 0 241.335 0.811 20 30 BCEDRO C[C@H](CO)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854452 349787877 /nfs/dbraw/zinc/78/78/77/349787877.db2.gz PJHSKSONOZQWET-QJPTWQEYSA-N 1 0 225.336 0.533 20 30 BCEDRO C#CCNC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000170740339 187227061 /nfs/dbraw/zinc/22/70/61/187227061.db2.gz IZXKQKHFSMZXGP-SNVBAGLBSA-N 1 0 211.309 0.649 20 30 BCEDRO C[C@H](O)CC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602849770 349784342 /nfs/dbraw/zinc/78/43/42/349784342.db2.gz NQHZEXOBJBMECZ-UTUOFQBUSA-N 1 0 225.336 0.675 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N(C)Cc1cnccn1 ZINC000174643789 187226821 /nfs/dbraw/zinc/22/68/21/187226821.db2.gz MFNXGBRWOMBHHC-SNVBAGLBSA-N 1 0 232.287 0.046 20 30 BCEDRO C[C@@H](CO)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854455 349787745 /nfs/dbraw/zinc/78/77/45/349787745.db2.gz PJHSKSONOZQWET-UTUOFQBUSA-N 1 0 225.336 0.533 20 30 BCEDRO C#CCN(CC#C)CC(=O)N1CCC[C@H](C)C1 ZINC000174524185 187227509 /nfs/dbraw/zinc/22/75/09/187227509.db2.gz UFOZHYMBIKGIBP-ZDUSSCGKSA-N 1 0 232.327 0.813 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418657028 192059203 /nfs/dbraw/zinc/05/92/03/192059203.db2.gz QPSCZJJDJGFBIR-ZYHUDNBSSA-N 1 0 241.335 0.629 20 30 BCEDRO C[C@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1C ZINC000246688451 362024003 /nfs/dbraw/zinc/02/40/03/362024003.db2.gz KCEMOODHTDGBMY-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000273417602 166182143 /nfs/dbraw/zinc/18/21/43/166182143.db2.gz UVCPREIRHSFGQJ-VHSXEESVSA-N 1 0 234.303 0.209 20 30 BCEDRO C[NH+](C)[C@H]1CCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000602889992 349795567 /nfs/dbraw/zinc/79/55/67/349795567.db2.gz KQEQAHVGGAMRIX-NWDGAFQWSA-N 1 0 239.363 0.923 20 30 BCEDRO C=C(C)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000640803400 362051683 /nfs/dbraw/zinc/05/16/83/362051683.db2.gz KXSARDMQVAAGHR-UHFFFAOYSA-N 1 0 235.335 0.302 20 30 BCEDRO C=C(C)Cn1cc(C[C@H]([NH3+])CCOC)nn1 ZINC000640804157 362052280 /nfs/dbraw/zinc/05/22/80/362052280.db2.gz WWLCVKPIUTURCC-SNVBAGLBSA-N 1 0 224.308 0.761 20 30 BCEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)CN1CCOCC1 ZINC000049504629 343111027 /nfs/dbraw/zinc/11/10/27/343111027.db2.gz AHCKYCJUFMBKKA-RYUDHWBXSA-N 1 0 225.336 0.989 20 30 BCEDRO C=CCCOCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362957752 136269019 /nfs/dbraw/zinc/26/90/19/136269019.db2.gz KUSJBQXKXKTYHA-VXGBXAGGSA-N 1 0 240.347 0.893 20 30 BCEDRO N#CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000363257127 136269265 /nfs/dbraw/zinc/26/92/65/136269265.db2.gz TVHNQANZBLJFNL-WOPDTQHZSA-N 1 0 205.305 0.926 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@@H](O)COC[C@H]1CCCO1 ZINC000602865124 349797037 /nfs/dbraw/zinc/79/70/37/349797037.db2.gz TXHLMVJZSNZNRA-IJLUTSLNSA-N 1 0 242.319 0.435 20 30 BCEDRO C#CCC[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000373742355 136269377 /nfs/dbraw/zinc/26/93/77/136269377.db2.gz PMHBXSLINHGRSA-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO C=CCCCn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000640936420 362074258 /nfs/dbraw/zinc/07/42/58/362074258.db2.gz WQTMHEJOHBCCRA-UHFFFAOYSA-N 1 0 246.318 0.948 20 30 BCEDRO CC(C)OC[C@@H](O)C[NH2+][C@H](C)CC#N ZINC000602864557 349797319 /nfs/dbraw/zinc/79/73/19/349797319.db2.gz RXAWTIZMZYWRHE-ZJUUUORDSA-N 1 0 200.282 0.664 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CC)[C@@H]1CCOC1 ZINC000361578348 136268595 /nfs/dbraw/zinc/26/85/95/136268595.db2.gz QXFKPGCBOBGNBF-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000361580912 136268620 /nfs/dbraw/zinc/26/86/20/136268620.db2.gz DGXCUMKHUNCWJJ-FRRDWIJNSA-N 1 0 243.347 0.785 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000262158029 187233666 /nfs/dbraw/zinc/23/36/66/187233666.db2.gz SDGGBRXYEZXQJW-NKWVEPMBSA-N 1 0 206.648 0.555 20 30 BCEDRO C=C(C)CC[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000279083282 187240755 /nfs/dbraw/zinc/24/07/55/187240755.db2.gz OHQCDBAFFMNDII-LBPRGKRZSA-N 1 0 237.303 0.627 20 30 BCEDRO C[C@H](O)CC[N@H+](C)CCOCCC#N ZINC000339005539 136271193 /nfs/dbraw/zinc/27/11/93/136271193.db2.gz RJTPNMSMHMXASA-JTQLQIEISA-N 1 0 200.282 0.619 20 30 BCEDRO C#CCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000279676913 187240893 /nfs/dbraw/zinc/24/08/93/187240893.db2.gz PKUQMWSDHNVFOX-UHFFFAOYSA-N 1 0 207.277 0.181 20 30 BCEDRO C#CCC[N@H+]1CCCN(CCC)C(=O)C1 ZINC000276233966 187239001 /nfs/dbraw/zinc/23/90/01/187239001.db2.gz CXGUWKDTZOCFEU-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C[C@H]1COCC[N@H+](CCOCCC#N)C1 ZINC000339052001 136271364 /nfs/dbraw/zinc/27/13/64/136271364.db2.gz IVNUGHKQARCMLT-LLVKDONJSA-N 1 0 212.293 0.885 20 30 BCEDRO C[C@@H](C#N)C(=O)NCCC[NH+]1CCCC1 ZINC000062079331 136272018 /nfs/dbraw/zinc/27/20/18/136272018.db2.gz HEKBVEKNYURXKY-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000299739391 136273097 /nfs/dbraw/zinc/27/30/97/136273097.db2.gz NVKOAUMECDAGON-SNVBAGLBSA-N 1 0 247.302 0.037 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H](C)C[NH2+]C ZINC000237057877 136272145 /nfs/dbraw/zinc/27/21/45/136272145.db2.gz BLVUFIIYGPQHCG-SECBINFHSA-N 1 0 220.338 0.337 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]([NH3+])C[C@@H]1C ZINC000133611178 343185687 /nfs/dbraw/zinc/18/56/87/343185687.db2.gz DOMNVKLATXAPMP-UWVGGRQHSA-N 1 0 211.309 0.100 20 30 BCEDRO N#Cc1cc(N2CC[NH+](CCCF)CC2)ncn1 ZINC000402855117 343225364 /nfs/dbraw/zinc/22/53/64/343225364.db2.gz VHKCDNUFWIGCSZ-UHFFFAOYSA-N 1 0 249.293 0.830 20 30 BCEDRO Cc1nnsc1CNC(=[NH2+])N(C)C1CC1 ZINC000262703284 136281304 /nfs/dbraw/zinc/28/13/04/136281304.db2.gz LONMBFGXRTZBIW-UHFFFAOYSA-N 1 0 225.321 0.755 20 30 BCEDRO C=CCOCCn1cc(C(C)(C)[NH2+]C)nn1 ZINC000641030384 362144084 /nfs/dbraw/zinc/14/40/84/362144084.db2.gz XIMDCROIOXXSCJ-UHFFFAOYSA-N 1 0 224.308 0.935 20 30 BCEDRO C[NH+](C)CC(=O)N[C@]1(C#N)CCSC1 ZINC000608959409 343249923 /nfs/dbraw/zinc/24/99/23/343249923.db2.gz AYZSKMYDCPCTMY-VIFPVBQESA-N 1 0 213.306 0.063 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000339112358 136280325 /nfs/dbraw/zinc/28/03/25/136280325.db2.gz MZQQVPUTMYMECO-RYUDHWBXSA-N 1 0 229.320 0.925 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000602871734 349803427 /nfs/dbraw/zinc/80/34/27/349803427.db2.gz VKTSJIDIMYTIDN-ZJUUUORDSA-N 1 0 212.293 0.544 20 30 BCEDRO N#Cc1ccc(C(=O)NCCc2ncc[nH]2)[nH]1 ZINC000343580757 343257142 /nfs/dbraw/zinc/25/71/42/343257142.db2.gz MUTMXSINRYOUBL-UHFFFAOYSA-N 1 0 229.243 0.582 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H](O)CC1(O)CCC1 ZINC000625367577 343260614 /nfs/dbraw/zinc/26/06/14/343260614.db2.gz IDMPUCCFEGBNRU-LBPRGKRZSA-N 1 0 243.347 0.787 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000295196826 136290319 /nfs/dbraw/zinc/29/03/19/136290319.db2.gz JQYTXTTUVXDYGL-UKKRHICBSA-N 1 0 224.304 0.302 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000127157868 343263915 /nfs/dbraw/zinc/26/39/15/343263915.db2.gz GEXJOFNZPVRNMT-NEPJUHHUSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000119618982 136291991 /nfs/dbraw/zinc/29/19/91/136291991.db2.gz WLIDMXFJKQGVPP-UHFFFAOYSA-N 1 0 246.376 0.918 20 30 BCEDRO C[N@H+](CC(=O)NCC#N)[C@@H]1CCSC1 ZINC000119886735 136292374 /nfs/dbraw/zinc/29/23/74/136292374.db2.gz YQGRQUQKRYEALQ-MRVPVSSYSA-N 1 0 213.306 0.063 20 30 BCEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000275148950 136285478 /nfs/dbraw/zinc/28/54/78/136285478.db2.gz GECGKJPCENQIQT-SNVBAGLBSA-N 1 0 249.318 0.822 20 30 BCEDRO Cc1n[nH]cc1CCCNC1=[NH+]C[C@@H](C)N1 ZINC000285011796 136287379 /nfs/dbraw/zinc/28/73/79/136287379.db2.gz IRJRFIVDLLPDQA-MRVPVSSYSA-N 1 0 221.308 0.588 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H](CO)c2ccccc2)N1 ZINC000285033293 136287501 /nfs/dbraw/zinc/28/75/01/136287501.db2.gz KABIOMLMIVFQIK-PWSUYJOCSA-N 1 0 233.315 0.700 20 30 BCEDRO Cc1ccc(CNC2=[NH+]CCN2C)c(=O)n1C ZINC000285035938 136287592 /nfs/dbraw/zinc/28/75/92/136287592.db2.gz KEAGKKGZGHVOID-UHFFFAOYSA-N 1 0 234.303 0.085 20 30 BCEDRO C=CCCn1cc(CN(C)CC[NH+](C)C)nn1 ZINC000668156064 488210817 /nfs/dbraw/zinc/21/08/17/488210817.db2.gz HDOAEWVSMNDWPY-UHFFFAOYSA-N 1 0 237.351 0.848 20 30 BCEDRO CO[C@@H]1C[C@H](CO)[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000344151435 343360553 /nfs/dbraw/zinc/36/05/53/343360553.db2.gz VETIUVUFFIQIBJ-CHWSQXEVSA-N 1 0 249.314 0.478 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C#N)CCSC2)C1 ZINC000609200995 343369888 /nfs/dbraw/zinc/36/98/88/343369888.db2.gz INFDZGHWKAWABQ-KOLCDFICSA-N 1 0 239.344 0.454 20 30 BCEDRO C=C(C)CCn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000641069529 362181514 /nfs/dbraw/zinc/18/15/14/362181514.db2.gz JWPYYCYBESWEIA-UHFFFAOYSA-N 1 0 249.362 0.692 20 30 BCEDRO C=C(C)CCn1cc(CN2CC[NH2+]CC2)nn1 ZINC000641069622 362181518 /nfs/dbraw/zinc/18/15/18/362181518.db2.gz LRCJZJNAFUPGGH-UHFFFAOYSA-N 1 0 235.335 0.650 20 30 BCEDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CCCSCC#N ZINC000602908377 349806780 /nfs/dbraw/zinc/80/67/80/349806780.db2.gz OSPZBJVEPRYNEO-WDEREUQCSA-N 1 0 244.360 0.451 20 30 BCEDRO C=CCOCCNC(=O)NC(C)(C)C[NH3+] ZINC000669555171 488215868 /nfs/dbraw/zinc/21/58/68/488215868.db2.gz FAGQYATWZODIJZ-UHFFFAOYSA-N 1 0 215.297 0.226 20 30 BCEDRO C=CCOCCNC(=O)NC[C@@H]([NH3+])CC ZINC000669555155 488215955 /nfs/dbraw/zinc/21/59/55/488215955.db2.gz CCMBBVZRXUZETC-VIFPVBQESA-N 1 0 215.297 0.226 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc([C@H](C)[NH2+]C)nn1 ZINC000641083427 362203573 /nfs/dbraw/zinc/20/35/73/362203573.db2.gz BLKULAMLFZWLPL-WCBMZHEXSA-N 1 0 210.281 0.668 20 30 BCEDRO C=C(C)[C@H](CO)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641083929 362205296 /nfs/dbraw/zinc/20/52/96/362205296.db2.gz FDYUQMNBJUYQHF-PWSUYJOCSA-N 1 0 236.319 0.540 20 30 BCEDRO C=C(C)[C@H](CO)n1cc(CCC[NH3+])nn1 ZINC000641084763 362207260 /nfs/dbraw/zinc/20/72/60/362207260.db2.gz RQZVHKMHGHYTHX-JTQLQIEISA-N 1 0 210.281 0.279 20 30 BCEDRO C=CCOCCNC(=O)NCC1([NH3+])CCC1 ZINC000669555339 488216783 /nfs/dbraw/zinc/21/67/83/488216783.db2.gz QWDHUFRAJKUQCJ-UHFFFAOYSA-N 1 0 227.308 0.370 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000616420584 343429788 /nfs/dbraw/zinc/42/97/88/343429788.db2.gz NJRQNYOQKWPMBF-DMDPSCGWSA-N 1 0 238.331 0.476 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000085620144 346939907 /nfs/dbraw/zinc/93/99/07/346939907.db2.gz MNFXXIHYVWMUNE-UWVGGRQHSA-N 1 0 225.292 0.125 20 30 BCEDRO [O-]C(=[NH+][C@H]1CCc2nc[nH]c2C1)N1CCC1 ZINC000329600565 136366462 /nfs/dbraw/zinc/36/64/62/136366462.db2.gz KEFLJIQSMVIQPQ-QMMMGPOBSA-N 1 0 220.276 0.887 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCN(C)C[C@H]1C ZINC000351606144 136369916 /nfs/dbraw/zinc/36/99/16/136369916.db2.gz ARFBWMXLHUXJAN-VXGBXAGGSA-N 1 0 212.337 0.949 20 30 BCEDRO Cc1nn(C)c(C)c1CCNC1=[NH+]C[C@@H](C)N1 ZINC000262672219 136374694 /nfs/dbraw/zinc/37/46/94/136374694.db2.gz ROTRZIRZOPZEET-MRVPVSSYSA-N 1 0 235.335 0.517 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000292880849 136375905 /nfs/dbraw/zinc/37/59/05/136375905.db2.gz UCNSZHBVHIYWKP-VIFPVBQESA-N 1 0 214.309 0.679 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCSC1 ZINC000562965702 323049247 /nfs/dbraw/zinc/04/92/47/323049247.db2.gz UJJKOIRUMBDMBH-DTWKUNHWSA-N 1 0 227.333 0.629 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000616567444 343510898 /nfs/dbraw/zinc/51/08/98/343510898.db2.gz PZZOBPUUXFCJRJ-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CCC[C@](O)(CO)C2)cc1 ZINC000313696840 259363664 /nfs/dbraw/zinc/36/36/64/259363664.db2.gz YIWXYPQKCZCUJM-CQSZACIVSA-N 1 0 246.310 0.877 20 30 BCEDRO C=CCCCNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000580551240 365755789 /nfs/dbraw/zinc/75/57/89/365755789.db2.gz GTHLIHMFNJOWDO-NXEZZACHSA-N 1 0 241.335 0.311 20 30 BCEDRO C#CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000491309279 259364205 /nfs/dbraw/zinc/36/42/05/259364205.db2.gz YJXFVVNGDINPRM-DCAQKATOSA-N 1 0 221.304 0.388 20 30 BCEDRO C[N@@H+]1CCN(CC2(CC#N)CC2)[C@H](CO)C1 ZINC000602904724 349819012 /nfs/dbraw/zinc/81/90/12/349819012.db2.gz KWTSTDFHBKNMOB-NSHDSACASA-N 1 0 223.320 0.289 20 30 BCEDRO C[N@@H+]1CCN(CC2(CC#N)CC2)[C@@H](CO)C1 ZINC000602904723 349818751 /nfs/dbraw/zinc/81/87/51/349818751.db2.gz KWTSTDFHBKNMOB-LLVKDONJSA-N 1 0 223.320 0.289 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])CCSC ZINC000379834721 343636782 /nfs/dbraw/zinc/63/67/82/343636782.db2.gz ZLGLLCWNURSQTF-VIFPVBQESA-N 1 0 232.349 0.386 20 30 BCEDRO C=CCOCCNC(=O)[C@H]([NH3+])CCSC ZINC000379834717 343636832 /nfs/dbraw/zinc/63/68/32/343636832.db2.gz ZLGLLCWNURSQTF-SECBINFHSA-N 1 0 232.349 0.386 20 30 BCEDRO CC[N@H+](C)C[C@H](O)Cn1cc(C#N)cn1 ZINC000379872636 343645174 /nfs/dbraw/zinc/64/51/74/343645174.db2.gz RGDKPRZDPXCFGG-JTQLQIEISA-N 1 0 208.265 0.067 20 30 BCEDRO CCN(C[C@@H](C)C#N)C[C@@H]1CCC(=O)N1 ZINC000379786406 343624818 /nfs/dbraw/zinc/62/48/18/343624818.db2.gz UJPFVRQCGWRGPF-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO CN(CCC[NH+](C)C)c1cnc(C#N)cn1 ZINC000071179117 343625656 /nfs/dbraw/zinc/62/56/56/343625656.db2.gz GZYBCRTXPMJGCQ-UHFFFAOYSA-N 1 0 219.292 0.736 20 30 BCEDRO C[C@]12C[NH+](CCCCC#N)C[C@]1(C)C(=O)NC2=O ZINC000602936433 349824647 /nfs/dbraw/zinc/82/46/47/349824647.db2.gz PJZUMIUFEXYAIZ-CHWSQXEVSA-N 1 0 249.314 0.665 20 30 BCEDRO CO[C@H]1C[N@H+](CCCC#N)[C@](C)(CO)C1 ZINC000602963606 349826235 /nfs/dbraw/zinc/82/62/35/349826235.db2.gz HGBLQSFMAJPVFC-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO CO[C@H]1C[N@H+](CCCC#N)[C@@](C)(CO)C1 ZINC000602963605 349826480 /nfs/dbraw/zinc/82/64/80/349826480.db2.gz HGBLQSFMAJPVFC-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2ccccc2O)n1 ZINC000285404815 187345200 /nfs/dbraw/zinc/34/52/00/187345200.db2.gz FLPMYGQKNAFFIE-UHFFFAOYSA-N 1 0 243.270 0.645 20 30 BCEDRO CC(C)(C#N)CCC[NH2+]C(CO)CO ZINC000083693580 343657807 /nfs/dbraw/zinc/65/78/07/343657807.db2.gz BLTGYKZFAVOODR-UHFFFAOYSA-N 1 0 200.282 0.259 20 30 BCEDRO COC1(C[NH2+]C[C@H](C)C#N)CCOCC1 ZINC000379949260 343659642 /nfs/dbraw/zinc/65/96/42/343659642.db2.gz SHQOEGMEZJFRLK-SNVBAGLBSA-N 1 0 212.293 0.931 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(C)[C@H]1CCC[C@@H]1C#N ZINC000602982743 349834904 /nfs/dbraw/zinc/83/49/04/349834904.db2.gz XOQARPXSLBNOOV-AGIUHOORSA-N 1 0 239.363 0.923 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(CCOCCC#N)C1 ZINC000338954151 343692714 /nfs/dbraw/zinc/69/27/14/343692714.db2.gz JFTNPCXULQGMEO-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000175837208 343696956 /nfs/dbraw/zinc/69/69/56/343696956.db2.gz YNZZTUUPWNUHTO-JTQLQIEISA-N 1 0 246.314 0.578 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000175837226 343697323 /nfs/dbraw/zinc/69/73/23/343697323.db2.gz YNZZTUUPWNUHTO-SNVBAGLBSA-N 1 0 246.314 0.578 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173928060 343697773 /nfs/dbraw/zinc/69/77/73/343697773.db2.gz WHDZOXWAQDXAPD-LLVKDONJSA-N 1 0 221.304 0.828 20 30 BCEDRO C[C@@H](CC#N)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000380115109 343680804 /nfs/dbraw/zinc/68/08/04/343680804.db2.gz PHJFXUPVMCERPB-QWRGUYRKSA-N 1 0 211.309 0.599 20 30 BCEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCC#CCO ZINC000582131576 346957014 /nfs/dbraw/zinc/95/70/14/346957014.db2.gz LMAFIXYFMNLXKN-GFCCVEGCSA-N 1 0 238.331 0.363 20 30 BCEDRO N#Cc1cccc(C[NH2+]C(CO)CO)c1F ZINC000221947714 349850600 /nfs/dbraw/zinc/85/06/00/349850600.db2.gz AYAFMDWVXNCRKA-UHFFFAOYSA-N 1 0 224.235 0.140 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)C[C@H]1C ZINC000340920792 343719325 /nfs/dbraw/zinc/71/93/25/343719325.db2.gz XGRQYIKCTUACDG-NEPJUHHUSA-N 1 0 238.331 0.642 20 30 BCEDRO C[C@H]1CN(CCNc2nccc(C#N)n2)CCO1 ZINC000576226300 343724795 /nfs/dbraw/zinc/72/47/95/343724795.db2.gz SMXNFBUQLZXUII-JTQLQIEISA-N 1 0 247.302 0.481 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634721361 343727214 /nfs/dbraw/zinc/72/72/14/343727214.db2.gz XTCOULPWWNFLLL-JHJVBQTASA-N 1 0 243.347 0.425 20 30 BCEDRO CC#CCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000418723012 192065066 /nfs/dbraw/zinc/06/50/66/192065066.db2.gz NIHIMVLNUUFDFU-QWRGUYRKSA-N 1 0 223.320 0.826 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000624405365 343755879 /nfs/dbraw/zinc/75/58/79/343755879.db2.gz IWRPIOVJEGNPGE-NXEZZACHSA-N 1 0 232.349 0.622 20 30 BCEDRO N#CC1(CC(=O)NCC[NH+]2CCC2)CC1 ZINC000590313273 346972668 /nfs/dbraw/zinc/97/26/68/346972668.db2.gz LIQWOPKRRMWRAU-UHFFFAOYSA-N 1 0 207.277 0.502 20 30 BCEDRO CN(CCC#N)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000495107146 529867751 /nfs/dbraw/zinc/86/77/51/529867751.db2.gz YHGKOMKIRVIFCM-NSHDSACASA-N 1 0 221.304 0.985 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@@H]21 ZINC000381037883 343854109 /nfs/dbraw/zinc/85/41/09/343854109.db2.gz DCAVSZVEVRSURN-FRRDWIJNSA-N 1 0 220.316 0.856 20 30 BCEDRO C=C[C@@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418746791 192066840 /nfs/dbraw/zinc/06/68/40/192066840.db2.gz YASFGWQXRIWKDE-RQJHMYQMSA-N 1 0 221.251 0.843 20 30 BCEDRO C=C(C)CN(CC)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418754229 192066651 /nfs/dbraw/zinc/06/66/51/192066651.db2.gz AWHKIOBDZQCVAW-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCc1cn(C)nn1 ZINC000625460046 343862912 /nfs/dbraw/zinc/86/29/12/343862912.db2.gz GHFGADCMCVYSPU-NEPJUHHUSA-N 1 0 236.319 0.681 20 30 BCEDRO CC[C@H](CO)[NH2+]Cc1cccc(C#N)n1 ZINC000602503216 343871948 /nfs/dbraw/zinc/87/19/48/343871948.db2.gz OVZNARIPWWBJKV-SECBINFHSA-N 1 0 205.261 0.814 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc(C(C)(C)[NH2+]C)nn1 ZINC000603234344 349892689 /nfs/dbraw/zinc/89/26/89/349892689.db2.gz KOZIQDHVMCZPMR-QMMMGPOBSA-N 1 0 238.291 0.633 20 30 BCEDRO COCC[N@H+](CCCCC#N)[C@H](C)C(N)=O ZINC000106312734 347009532 /nfs/dbraw/zinc/00/95/32/347009532.db2.gz CKJKEBLKDBJBSK-SNVBAGLBSA-N 1 0 227.308 0.502 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc(CCC[NH3+])nn1 ZINC000603234614 349892713 /nfs/dbraw/zinc/89/27/13/349892713.db2.gz MLVPWXRVSWEUQS-SECBINFHSA-N 1 0 224.264 0.070 20 30 BCEDRO C[C@H](CC#N)[NH2+]CCC(=O)N1CCOCC1 ZINC000157063883 343907200 /nfs/dbraw/zinc/90/72/00/343907200.db2.gz LZRDDCSKYZQFLW-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000187948289 259371789 /nfs/dbraw/zinc/37/17/89/259371789.db2.gz CZOQPBVNWYXPII-AAEUAGOBSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCC[C@@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000641211633 362273130 /nfs/dbraw/zinc/27/31/30/362273130.db2.gz AVYQGLISAXFQRJ-GFCCVEGCSA-N 1 0 236.319 0.857 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092630729 343960310 /nfs/dbraw/zinc/96/03/10/343960310.db2.gz QKCFNTLZZVURIL-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CCCS(=O)(=O)NC)C1 ZINC000625702330 344053667 /nfs/dbraw/zinc/05/36/67/344053667.db2.gz XJWKAQMXNBPFOH-LLVKDONJSA-N 1 0 246.376 0.824 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000396486424 347027796 /nfs/dbraw/zinc/02/77/96/347027796.db2.gz MNHOGPVTCSRVJD-NXEZZACHSA-N 1 0 223.320 0.993 20 30 BCEDRO CC#CCN1CCc2nn(C)c(=O)cc2C1 ZINC000078620610 344100485 /nfs/dbraw/zinc/10/04/85/344100485.db2.gz IQALZSXSNXXXGU-UHFFFAOYSA-N 1 0 217.272 0.162 20 30 BCEDRO CO[C@@H]1C[N@H+](CC2(CC#N)CC2)C[C@H]1O ZINC000395272884 344138896 /nfs/dbraw/zinc/13/88/96/344138896.db2.gz APEPITAUAIMNFV-NXEZZACHSA-N 1 0 210.277 0.372 20 30 BCEDRO C[C@H](CC#N)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000381188339 344140454 /nfs/dbraw/zinc/14/04/54/344140454.db2.gz YFEJLTAGTGUAPE-MRVPVSSYSA-N 1 0 223.236 0.683 20 30 BCEDRO COCC#CCN1CCO[C@H](C(F)F)CC1 ZINC000634757414 344220344 /nfs/dbraw/zinc/22/03/44/344220344.db2.gz RHNYOKLVMQPRLZ-JTQLQIEISA-N 1 0 233.258 0.992 20 30 BCEDRO C=C(C)COCC[NH2+][C@@H](C)CC(=O)NC ZINC000130808946 344224339 /nfs/dbraw/zinc/22/43/39/344224339.db2.gz XHTZJZYPWQJJIX-JTQLQIEISA-N 1 0 214.309 0.693 20 30 BCEDRO C=CCN(C)C(=O)COC1CC[NH2+]CC1 ZINC000131128780 344228563 /nfs/dbraw/zinc/22/85/63/344228563.db2.gz MQXPDOLILFIGBX-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(CC)CC ZINC000293815643 344181785 /nfs/dbraw/zinc/18/17/85/344181785.db2.gz OOQFIDWGAGOCBO-UHFFFAOYSA-N 1 0 225.336 0.993 20 30 BCEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1cccc(C#N)c1 ZINC000588863787 344195795 /nfs/dbraw/zinc/19/57/95/344195795.db2.gz OQWASBBDIDIJEB-LBPRGKRZSA-N 1 0 247.298 0.211 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCO1 ZINC000293887605 344263663 /nfs/dbraw/zinc/26/36/63/344263663.db2.gz DFIIZGQUWLYSJO-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCOCC(F)F)CC1 ZINC000600734887 344364970 /nfs/dbraw/zinc/36/49/70/344364970.db2.gz QUKKLHCUVNFJJH-SECBINFHSA-N 1 0 248.273 0.912 20 30 BCEDRO CC(C)[C@H](CO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600745924 344368270 /nfs/dbraw/zinc/36/82/70/344368270.db2.gz TXTXAAJQVANIKE-NWDGAFQWSA-N 1 0 240.347 0.895 20 30 BCEDRO C[C@H](CCO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600741211 344367383 /nfs/dbraw/zinc/36/73/83/344367383.db2.gz CLGVUILDRMADJZ-NXEZZACHSA-N 1 0 212.293 0.402 20 30 BCEDRO C[C@H](CCCO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600741237 344367408 /nfs/dbraw/zinc/36/74/08/344367408.db2.gz CTWWWPIIKUEHFA-GHMZBOCLSA-N 1 0 226.320 0.792 20 30 BCEDRO CC(C)[C@H](O)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600741693 344367410 /nfs/dbraw/zinc/36/74/10/344367410.db2.gz HEVVHDPNDHRXMU-WDEREUQCSA-N 1 0 226.320 0.648 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CC2=CCOCC2)CC1 ZINC000600741175 344367432 /nfs/dbraw/zinc/36/74/32/344367432.db2.gz ZHCSZYLFJRBLJA-LBPRGKRZSA-N 1 0 236.315 0.977 20 30 BCEDRO CC[C@H](CCO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600741630 344367469 /nfs/dbraw/zinc/36/74/69/344367469.db2.gz GDYKALPTPIRKDZ-MNOVXSKESA-N 1 0 226.320 0.792 20 30 BCEDRO CC(C)[C@@H](CO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600745914 344368241 /nfs/dbraw/zinc/36/82/41/344368241.db2.gz TXTXAAJQVANIKE-NEPJUHHUSA-N 1 0 240.347 0.895 20 30 BCEDRO COC[C@H](CCO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600744011 344367971 /nfs/dbraw/zinc/36/79/71/344367971.db2.gz NAZIRDQSMJLBCR-WDEREUQCSA-N 1 0 242.319 0.028 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCCn2cccn2)CC1 ZINC000600717002 344362056 /nfs/dbraw/zinc/36/20/56/344362056.db2.gz IFBCSMTWCTUXAE-LBPRGKRZSA-N 1 0 248.330 0.918 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000600723298 344363024 /nfs/dbraw/zinc/36/30/24/344363024.db2.gz XFNJMQMEUCKEBB-DGCLKSJQSA-N 1 0 249.358 0.867 20 30 BCEDRO Cc1cc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)[nH]n1 ZINC000600729696 344364039 /nfs/dbraw/zinc/36/40/39/344364039.db2.gz ZTMPOXZLUFBNKC-NSHDSACASA-N 1 0 234.303 0.863 20 30 BCEDRO C[C@@H](C#N)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000600729063 344364140 /nfs/dbraw/zinc/36/41/40/344364140.db2.gz WKSNRWXYIKDURL-WDEREUQCSA-N 1 0 211.309 0.192 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[C@H](O)C2)CC1 ZINC000600745839 344368284 /nfs/dbraw/zinc/36/82/84/344368284.db2.gz SWAXSLOBQDQXHZ-WOPDTQHZSA-N 1 0 238.331 0.792 20 30 BCEDRO C[C@H](O)CCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600746896 344368705 /nfs/dbraw/zinc/36/87/05/344368705.db2.gz YKJPRFLPSIJYDU-QWRGUYRKSA-N 1 0 226.320 0.792 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCC2CC(O)C2)CC1 ZINC000600747743 344368848 /nfs/dbraw/zinc/36/88/48/344368848.db2.gz KHYHKUWSMYROBZ-HTAVTVPLSA-N 1 0 238.331 0.792 20 30 BCEDRO CN1CCN(c2nccnc2C#N)CC1(C)C ZINC000110750916 344436347 /nfs/dbraw/zinc/43/63/47/344436347.db2.gz LVGXIDMGOSFWJN-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO CC1(C)CN(c2cc(C#N)ncn2)CC[NH2+]1 ZINC000380551452 344419507 /nfs/dbraw/zinc/41/95/07/344419507.db2.gz JZHDJJFTVDDYFX-UHFFFAOYSA-N 1 0 217.276 0.536 20 30 BCEDRO C[C@H]([NH3+])CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000084718368 344465387 /nfs/dbraw/zinc/46/53/87/344465387.db2.gz TTWBBPQIMDUBEY-QMMMGPOBSA-N 1 0 239.300 0.184 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)o1 ZINC000135486544 344475410 /nfs/dbraw/zinc/47/54/10/344475410.db2.gz AOGFMCDIHJZBHC-QMMMGPOBSA-N 1 0 219.244 0.519 20 30 BCEDRO CCNC(=O)CN(CC)Cc1ccnc(C#N)c1 ZINC000068766218 344494686 /nfs/dbraw/zinc/49/46/86/344494686.db2.gz ONMUHHZKKSPESB-UHFFFAOYSA-N 1 0 246.314 0.911 20 30 BCEDRO CC[C@H]1CN(C(=O)CC#N)CC[N@@H+]1C[C@@H](C)O ZINC000408320231 344495765 /nfs/dbraw/zinc/49/57/65/344495765.db2.gz NTXDAHZJCRESPL-MNOVXSKESA-N 1 0 239.319 0.204 20 30 BCEDRO C[C@@H]1[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CCS1(=O)=O ZINC000381494503 344512882 /nfs/dbraw/zinc/51/28/82/344512882.db2.gz ZSWGVNNZDNHRIA-CHWFTXMASA-N 1 0 242.344 0.844 20 30 BCEDRO C[C@@H]1[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CCS1(=O)=O ZINC000381494506 344512889 /nfs/dbraw/zinc/51/28/89/344512889.db2.gz ZSWGVNNZDNHRIA-VPOLOUISSA-N 1 0 242.344 0.844 20 30 BCEDRO N#CCC[C@H](C#N)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000381501265 344513588 /nfs/dbraw/zinc/51/35/88/344513588.db2.gz PHTQFKMSEJJERV-WOPDTQHZSA-N 1 0 218.304 0.581 20 30 BCEDRO COCCC[N@H+](C)CCNC(=O)C(C)(C)C#N ZINC000152329434 344520787 /nfs/dbraw/zinc/52/07/87/344520787.db2.gz QMSUXBSMZVACHK-UHFFFAOYSA-N 1 0 241.335 0.621 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CCCC(=O)N2)C1 ZINC000381628196 344527501 /nfs/dbraw/zinc/52/75/01/344527501.db2.gz NGQBVDIERBLYCF-GMTAPVOTSA-N 1 0 221.304 0.937 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@@H](C)[NH3+] ZINC000641474838 362444492 /nfs/dbraw/zinc/44/44/92/362444492.db2.gz MRCCSLQQAMXJFL-SECBINFHSA-N 1 0 215.297 0.178 20 30 BCEDRO NC(=[NH2+])Nc1nc([C@@H]2CCCOC2)cs1 ZINC000183877771 259378592 /nfs/dbraw/zinc/37/85/92/259378592.db2.gz DXDWZFURTCQSND-ZCFIWIBFSA-N 1 0 226.305 0.942 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000625974321 344638248 /nfs/dbraw/zinc/63/82/48/344638248.db2.gz XTVPIIBQWYBGDY-GMOBBJLQSA-N 1 0 226.320 0.690 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000609417793 344722557 /nfs/dbraw/zinc/72/25/57/344722557.db2.gz YTZVGPVMLWMQCO-SNVBAGLBSA-N 1 0 207.277 0.501 20 30 BCEDRO NC(=[NH2+])NCC[S@@](=O)Cc1ccccc1 ZINC000117106126 344739491 /nfs/dbraw/zinc/73/94/91/344739491.db2.gz LDAKOGQWZTVUTA-HNNXBMFYSA-N 1 0 225.317 0.209 20 30 BCEDRO C=C(CC)C[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626035635 344686480 /nfs/dbraw/zinc/68/64/80/344686480.db2.gz VYODCAAETYEZDZ-UHFFFAOYSA-N 1 0 247.364 0.210 20 30 BCEDRO C[C@H](CO)C[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000609406177 344692576 /nfs/dbraw/zinc/69/25/76/344692576.db2.gz RUWBNDQCBRDAAL-UWVGGRQHSA-N 1 0 249.318 0.014 20 30 BCEDRO C[C@H](CC#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000260049097 344704761 /nfs/dbraw/zinc/70/47/61/344704761.db2.gz PFABXHZUVNLICV-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCCC[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000117880888 344759550 /nfs/dbraw/zinc/75/95/50/344759550.db2.gz MTXQMSJELUSCPP-SNVBAGLBSA-N 1 0 214.309 0.775 20 30 BCEDRO C#CC[NH+](CC#C)CCC(=O)N1CCC[C@@H]1C ZINC000076185763 344799708 /nfs/dbraw/zinc/79/97/08/344799708.db2.gz PMFILMQFUGGBAW-ZDUSSCGKSA-N 1 0 232.327 0.956 20 30 BCEDRO CC[C@H](CO)[NH+]1CCN(CCCC#N)CC1 ZINC000075957196 344788991 /nfs/dbraw/zinc/78/89/91/344788991.db2.gz RMZTUNOYXSGBMZ-GFCCVEGCSA-N 1 0 225.336 0.679 20 30 BCEDRO C=CCCC[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000077176939 344810177 /nfs/dbraw/zinc/81/01/77/344810177.db2.gz OZZFOGZTZCFVJZ-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(Cl)CNC(=O)NCCN1CCOCC1 ZINC000077790038 344827269 /nfs/dbraw/zinc/82/72/69/344827269.db2.gz IDABXMOKKYMTPF-UHFFFAOYSA-N 1 0 247.726 0.370 20 30 BCEDRO N#CCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000049814637 187293742 /nfs/dbraw/zinc/29/37/42/187293742.db2.gz NXBQAGNHPGIXSX-NSHDSACASA-N 1 0 209.293 0.307 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CCC[NH2+]CC1 ZINC000237571038 344856750 /nfs/dbraw/zinc/85/67/50/344856750.db2.gz TWIYMFSLVMUBJR-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCC[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000408242904 344879763 /nfs/dbraw/zinc/87/97/63/344879763.db2.gz ZODDQFDMIOZVJI-UHFFFAOYSA-N 1 0 247.364 0.081 20 30 BCEDRO C[C@@]1(C(N)=O)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000235433163 344910387 /nfs/dbraw/zinc/91/03/87/344910387.db2.gz XFOSKAWVDDDFTN-LLVKDONJSA-N 1 0 221.304 0.878 20 30 BCEDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000235382773 344899114 /nfs/dbraw/zinc/89/91/14/344899114.db2.gz ANGOKCVBGYQFSQ-CYBMUJFWSA-N 1 0 244.298 0.651 20 30 BCEDRO C=CCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079079159 344936825 /nfs/dbraw/zinc/93/68/25/344936825.db2.gz ACLCYYJKBXQNTP-JTQLQIEISA-N 1 0 223.320 0.956 20 30 BCEDRO Cn1nncc1C[NH2+]Cc1ccc(C#N)cc1 ZINC000135855346 344915254 /nfs/dbraw/zinc/91/52/54/344915254.db2.gz ZVRAIRQFGPJFBT-UHFFFAOYSA-N 1 0 227.271 0.977 20 30 BCEDRO C=CCOCC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000583435453 344952861 /nfs/dbraw/zinc/95/28/61/344952861.db2.gz DTTRGUOCDNWZIT-SSDOTTSWSA-N 1 0 240.225 0.585 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000363491186 344961288 /nfs/dbraw/zinc/96/12/88/344961288.db2.gz SWPVSZLNKYDKJW-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)NCC#N)C1 ZINC000408277048 345019642 /nfs/dbraw/zinc/01/96/42/345019642.db2.gz NAVDKXUPFGODHH-NSHDSACASA-N 1 0 225.292 0.127 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000154377401 345032041 /nfs/dbraw/zinc/03/20/41/345032041.db2.gz OAOPYBQCUVWQEL-LLVKDONJSA-N 1 0 244.360 0.578 20 30 BCEDRO Cc1ccc(CNC(N)=[NH2+])c(O[C@H]2CCOC2)c1 ZINC000124355335 345039036 /nfs/dbraw/zinc/03/90/36/345039036.db2.gz VHGLIRNMJCOJHU-NSHDSACASA-N 1 0 249.314 0.936 20 30 BCEDRO CC(C)Oc1ccc(CNC(N)=[NH2+])cn1 ZINC000264074521 534984941 /nfs/dbraw/zinc/98/49/41/534984941.db2.gz FFVQYJJNUDBGOT-UHFFFAOYSA-N 1 0 208.265 0.642 20 30 BCEDRO C=CCNC(=O)[C@@H](C)NC1CC[NH+](CC)CC1 ZINC000359656900 345091378 /nfs/dbraw/zinc/09/13/78/345091378.db2.gz JBNKWAJHYRTDAY-LLVKDONJSA-N 1 0 239.363 0.751 20 30 BCEDRO C=CCNC(=O)[C@H](C)NC1CC[NH+](CC)CC1 ZINC000359656901 345091879 /nfs/dbraw/zinc/09/18/79/345091879.db2.gz JBNKWAJHYRTDAY-NSHDSACASA-N 1 0 239.363 0.751 20 30 BCEDRO C[C@@H](CC#N)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000579729867 345171523 /nfs/dbraw/zinc/17/15/23/345171523.db2.gz OHNWQCPEZNUHKK-JTQLQIEISA-N 1 0 249.318 0.477 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000634975051 345150265 /nfs/dbraw/zinc/15/02/65/345150265.db2.gz QGJWEDMRPIHTNP-LLVKDONJSA-N 1 0 247.360 0.746 20 30 BCEDRO C=CCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000306291145 345156547 /nfs/dbraw/zinc/15/65/47/345156547.db2.gz SFWMJODQAIGWAA-DTWKUNHWSA-N 1 0 201.291 0.291 20 30 BCEDRO C[C@@H](NC(=O)CC#N)C1=CC[N@H+](C)CC1 ZINC000408324345 345156577 /nfs/dbraw/zinc/15/65/77/345156577.db2.gz LALJUTIWJODUGG-SECBINFHSA-N 1 0 207.277 0.667 20 30 BCEDRO C#C[C@H](NC[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000381280426 345227325 /nfs/dbraw/zinc/22/73/25/345227325.db2.gz XZPCLFHMMGAGCZ-STQMWFEESA-N 1 0 224.348 0.689 20 30 BCEDRO CC(C)[C@@](C)(C#N)NC(=O)Cn1ccnc1C[NH3+] ZINC000600965996 345251179 /nfs/dbraw/zinc/25/11/79/345251179.db2.gz DMJUQSMHKGZLPL-GFCCVEGCSA-N 1 0 249.318 0.396 20 30 BCEDRO C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1C[C@H]1C ZINC000132115885 345317421 /nfs/dbraw/zinc/31/74/21/345317421.db2.gz ZZTYRUIXYXBMOG-GHMZBOCLSA-N 1 0 235.335 0.765 20 30 BCEDRO C=C(Cl)CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000158798527 345308882 /nfs/dbraw/zinc/30/88/82/345308882.db2.gz AJZPKUVWRBZVKY-VIFPVBQESA-N 1 0 202.685 0.997 20 30 BCEDRO C=CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000228889086 345413294 /nfs/dbraw/zinc/41/32/94/345413294.db2.gz RAWTVJDSPDDXOT-OUJBWJOFSA-N 1 0 238.331 0.821 20 30 BCEDRO C=CCNC(NC[C@]1(O)CCSC1)=[NH+]CC ZINC000080895188 345453694 /nfs/dbraw/zinc/45/36/94/345453694.db2.gz WSCCCFKVLDFEEI-LLVKDONJSA-N 1 0 243.376 0.596 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)NCC[NH2+]CCC ZINC000418883985 192088396 /nfs/dbraw/zinc/08/83/96/192088396.db2.gz DNGNWMKWQOYOHY-UHFFFAOYSA-N 1 0 241.335 0.185 20 30 BCEDRO CCCCN1CCOC[C@@H]1C(=O)N[C@H](C)C#N ZINC000248636559 345438026 /nfs/dbraw/zinc/43/80/26/345438026.db2.gz KZRMCQCIPOWALL-GHMZBOCLSA-N 1 0 239.319 0.516 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)CC[C@H](C)O ZINC000135406651 345440396 /nfs/dbraw/zinc/44/03/96/345440396.db2.gz DNKWAFUHCYGAGE-LBPRGKRZSA-N 1 0 240.347 0.890 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+](CC)CCCO ZINC000135420774 345440836 /nfs/dbraw/zinc/44/08/36/345440836.db2.gz SSZFPTYSDGJXEP-UHFFFAOYSA-N 1 0 240.347 0.891 20 30 BCEDRO C=CCNC(NC[C@@H]1CCC[C@@H]1O)=[NH+]CC ZINC000081772601 345490902 /nfs/dbraw/zinc/49/09/02/345490902.db2.gz OZPAOXGDLQMAQJ-QWRGUYRKSA-N 1 0 225.336 0.889 20 30 BCEDRO C#CCNC(NCc1cnn(C)c1)=[NH+]CC ZINC000081820138 345493351 /nfs/dbraw/zinc/49/33/51/345493351.db2.gz WSOHIPYKMMWKKT-UHFFFAOYSA-N 1 0 219.292 0.108 20 30 BCEDRO CC[NH+]=C(NCc1cnn(C)c1)N[C@H]1C[C@H]1C ZINC000081820134 345493387 /nfs/dbraw/zinc/49/33/87/345493387.db2.gz TWDIZHVTVCBPFI-KOLCDFICSA-N 1 0 235.335 0.884 20 30 BCEDRO N#CCC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000082275261 345500787 /nfs/dbraw/zinc/50/07/87/345500787.db2.gz MTVZYGPHHWHNON-NSHDSACASA-N 1 0 221.304 0.987 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H](O)C2)CC1 ZINC000635530865 345464341 /nfs/dbraw/zinc/46/43/41/345464341.db2.gz LKFAEPZZNQQFFO-KLPPZKSPSA-N 1 0 238.331 0.524 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@H]2C)CC1 ZINC000081396375 345472295 /nfs/dbraw/zinc/47/22/95/345472295.db2.gz RNPNPQXOBYTXSE-CYBMUJFWSA-N 1 0 249.358 0.248 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)N1CCN(C)CC1 ZINC000136160558 345483229 /nfs/dbraw/zinc/48/32/29/345483229.db2.gz VULXAKCAQAYGKB-NSHDSACASA-N 1 0 209.293 0.700 20 30 BCEDRO C[NH+](C)CCOc1cc(C(=O)NCC#N)ccn1 ZINC000136770499 345546059 /nfs/dbraw/zinc/54/60/59/345546059.db2.gz NNUFENQKTVMKND-UHFFFAOYSA-N 1 0 248.286 0.275 20 30 BCEDRO N#CCn1cc(C[C@H]([NH3+])Cc2ccccc2)nn1 ZINC000600973278 345546678 /nfs/dbraw/zinc/54/66/78/345546678.db2.gz SKFBZPQNYYMNGX-GFCCVEGCSA-N 1 0 241.298 0.914 20 30 BCEDRO C=CCCC[C@@H](C)[NH+]1CCN(C(=O)CO)CC1 ZINC000089267293 345553077 /nfs/dbraw/zinc/55/30/77/345553077.db2.gz IKGAXNYGHXSLQK-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO N#CCCc1cn(CC[NH+]2CCCC2)nn1 ZINC000600977449 345597576 /nfs/dbraw/zinc/59/75/76/345597576.db2.gz HBXQELMAGZHZMJ-UHFFFAOYSA-N 1 0 219.292 0.830 20 30 BCEDRO N#Cc1cc(C[N@H+]2CC[C@@H](CO)C2)ccn1 ZINC000082669279 345665487 /nfs/dbraw/zinc/66/54/87/345665487.db2.gz MCNKMOXPHHPQPE-LLVKDONJSA-N 1 0 217.272 0.767 20 30 BCEDRO C=CC[NH2+][C@H]1CCO[C@H]1c1nc(C)no1 ZINC000626145228 345753949 /nfs/dbraw/zinc/75/39/49/345753949.db2.gz IXEGJHWKKQRNMF-DTWKUNHWSA-N 1 0 209.249 0.984 20 30 BCEDRO N#Cc1cc(C[N@@H+](CCO)C2CC2)ccn1 ZINC000070533586 345773844 /nfs/dbraw/zinc/77/38/44/345773844.db2.gz GKENYJMRJNZYGS-UHFFFAOYSA-N 1 0 217.272 0.910 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](COC)C(C)C ZINC000083399487 323096378 /nfs/dbraw/zinc/09/63/78/323096378.db2.gz PQSHXTBIQIEMTK-QWRGUYRKSA-N 1 0 228.336 0.938 20 30 BCEDRO N#Cc1cc(C[N@H+]2CC[C@H](CC(N)=O)C2)ccn1 ZINC000588977896 345837079 /nfs/dbraw/zinc/83/70/79/345837079.db2.gz WVIQLXAYURCRBV-LLVKDONJSA-N 1 0 244.298 0.651 20 30 BCEDRO COCC#CC[N@@H+]1CCCC[C@@H]1CNC(C)=O ZINC000626158217 345899624 /nfs/dbraw/zinc/89/96/24/345899624.db2.gz MCRRFCQDXNVMQC-CYBMUJFWSA-N 1 0 238.331 0.627 20 30 BCEDRO COC(=O)COC[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000449303177 201863158 /nfs/dbraw/zinc/86/31/58/201863158.db2.gz XOMDZQOHVXZQIG-JTQLQIEISA-N 1 0 240.303 0.848 20 30 BCEDRO C[C@@H](CC#N)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601022984 345999053 /nfs/dbraw/zinc/99/90/53/345999053.db2.gz UVMFDKSLSPCBDG-JTQLQIEISA-N 1 0 249.318 0.477 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635767503 346058298 /nfs/dbraw/zinc/05/82/98/346058298.db2.gz TYYBDMDUCJQJOH-RYUDHWBXSA-N 1 0 240.347 0.629 20 30 BCEDRO COCC[N@H+](CCO)CCC(C)(C)C#N ZINC000162747879 346032334 /nfs/dbraw/zinc/03/23/34/346032334.db2.gz BGFBAIXJVSIOOM-UHFFFAOYSA-N 1 0 214.309 0.867 20 30 BCEDRO C=CCCOCCNC(=O)[C@@H](C)[NH+](C)C ZINC000635738228 346046065 /nfs/dbraw/zinc/04/60/65/346046065.db2.gz MOHULXLPNSLNSI-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](C)[NH+](C)C ZINC000635783308 346068104 /nfs/dbraw/zinc/06/81/04/346068104.db2.gz DQUITRJKJIHMIW-SECBINFHSA-N 1 0 200.282 0.255 20 30 BCEDRO CC[NH+](CC)CCCN1CCO[C@@H](C#N)C1 ZINC000191787140 346070221 /nfs/dbraw/zinc/07/02/21/346070221.db2.gz GHUZJTVNTRTABY-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO CC(C)C[C@H](C(=O)NCC#CCO)n1ccnc1 ZINC000635900659 346106593 /nfs/dbraw/zinc/10/65/93/346106593.db2.gz QAFFPFRQRSATLU-GFCCVEGCSA-N 1 0 249.314 0.582 20 30 BCEDRO Cc1cnn(C)c1C[NH2+]C1CCN(CC#N)CC1 ZINC000586776918 346102756 /nfs/dbraw/zinc/10/27/56/346102756.db2.gz SYLAHBLETXKPPR-UHFFFAOYSA-N 1 0 247.346 0.806 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635989907 346140766 /nfs/dbraw/zinc/14/07/66/346140766.db2.gz WMHMKRUFSGJKTQ-WOPDTQHZSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CCCCNC(=O)C(=O)NCC[NH2+]CCC ZINC000419050011 192098496 /nfs/dbraw/zinc/09/84/96/192098496.db2.gz DCDMCYHPIFKJTR-UHFFFAOYSA-N 1 0 241.335 0.185 20 30 BCEDRO CNC(NCCOc1ccccc1)=[NH+]C ZINC000161477732 346215710 /nfs/dbraw/zinc/21/57/10/346215710.db2.gz XSMZUKJLSLBOTJ-UHFFFAOYSA-N 1 0 207.277 0.860 20 30 BCEDRO CC[C@@H](COC)[NH2+]C1CCN(CC#N)CC1 ZINC000167449668 346247813 /nfs/dbraw/zinc/24/78/13/346247813.db2.gz PZHWCQKKUNSHML-NSHDSACASA-N 1 0 225.336 0.989 20 30 BCEDRO CO[C@@H](C)[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000167449008 346247894 /nfs/dbraw/zinc/24/78/94/346247894.db2.gz KONIOJHMNGIYIJ-QWRGUYRKSA-N 1 0 225.336 0.987 20 30 BCEDRO C=CCCCNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000419067760 192099110 /nfs/dbraw/zinc/09/91/10/192099110.db2.gz SFVNGHQZYKINRC-UHFFFAOYSA-N 1 0 239.319 0.066 20 30 BCEDRO C#CC[N@H+](C)CCCNc1nccc(C#N)n1 ZINC000294888554 346314818 /nfs/dbraw/zinc/31/48/18/346314818.db2.gz GSWIUYLKYZQOKB-UHFFFAOYSA-N 1 0 229.287 0.715 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636091480 346317157 /nfs/dbraw/zinc/31/71/57/346317157.db2.gz LLYOVHUQMSUSBC-GUBZILKMSA-N 1 0 226.320 0.378 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1c[nH]nc1C ZINC000641768815 362707567 /nfs/dbraw/zinc/70/75/67/362707567.db2.gz JCMGOBUSPDCHKB-LLVKDONJSA-N 1 0 207.277 0.582 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cn(C)nc1C ZINC000641767910 362698489 /nfs/dbraw/zinc/69/84/89/362698489.db2.gz SELKYWPQXKLZAL-GFCCVEGCSA-N 1 0 221.304 0.592 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1ccnn1CC ZINC000641767265 362700636 /nfs/dbraw/zinc/70/06/36/362700636.db2.gz HZKKXYCNNAYGIR-LLVKDONJSA-N 1 0 221.304 0.767 20 30 BCEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCC[NH2+]C ZINC000419157304 192101045 /nfs/dbraw/zinc/10/10/45/192101045.db2.gz UYMSDBSMHGPOBZ-SNVBAGLBSA-N 1 0 241.335 0.183 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000641767637 362702807 /nfs/dbraw/zinc/70/28/07/362702807.db2.gz NDRZXJACBVHSAI-MJBXVCDLSA-N 1 0 236.359 0.977 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc(OC)nc1 ZINC000641768319 362706270 /nfs/dbraw/zinc/70/62/70/362706270.db2.gz ZGKVKYSINRQIPM-LBPRGKRZSA-N 1 0 234.299 0.954 20 30 BCEDRO C=CC[C@H](CC)NC(=O)C(=O)NC[C@@H](C)[NH2+]C ZINC000419136443 192102029 /nfs/dbraw/zinc/10/20/29/192102029.db2.gz NMLDHWLEQBKODI-ZJUUUORDSA-N 1 0 241.335 0.181 20 30 BCEDRO CN(C)C(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000170910605 346478935 /nfs/dbraw/zinc/47/89/35/346478935.db2.gz XJJGRDJPYWJKGK-UHFFFAOYSA-N 1 0 230.312 0.387 20 30 BCEDRO C=CCCS(=O)(=O)NCCC(C)(C)[NH3+] ZINC000641805689 362762343 /nfs/dbraw/zinc/76/23/43/362762343.db2.gz HIOKBZQUVAXAEM-UHFFFAOYSA-N 1 0 220.338 0.609 20 30 BCEDRO Cn1nnnc1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000381825155 346511824 /nfs/dbraw/zinc/51/18/24/346511824.db2.gz MCPSUYIUPKYIBD-DTWKUNHWSA-N 1 0 220.280 0.034 20 30 BCEDRO C=CCN1CC[C@H](N(C)[C@@H]2CC[NH2+]C2)C1=O ZINC000580075515 346513418 /nfs/dbraw/zinc/51/34/18/346513418.db2.gz FNUUEKVTPYSFDQ-MNOVXSKESA-N 1 0 223.320 0.067 20 30 BCEDRO CCN(CC#N)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000580092366 346521843 /nfs/dbraw/zinc/52/18/43/346521843.db2.gz FBGDJUWSLRHXNZ-UHFFFAOYSA-N 1 0 249.318 0.430 20 30 BCEDRO Cc1cnccc1CCNC(=[NH2+])N1CCOCC1 ZINC000162897540 346541493 /nfs/dbraw/zinc/54/14/93/346541493.db2.gz FDXQWIOOXKFXOY-UHFFFAOYSA-N 1 0 248.330 0.579 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000301052034 346574653 /nfs/dbraw/zinc/57/46/53/346574653.db2.gz VJQPJOVJUWXRDZ-WDEREUQCSA-N 1 0 226.320 0.740 20 30 BCEDRO CC[N@@H+]1CCN(c2cncc(C#N)n2)C[C@H]1C ZINC000401318430 346577620 /nfs/dbraw/zinc/57/76/20/346577620.db2.gz FFMYYDGDMHWLDE-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@H]1CN(c2cncc(C#N)n2)C[C@@H]1[NH+](C)C ZINC000401327592 346589634 /nfs/dbraw/zinc/58/96/34/346589634.db2.gz LMVHHHULLVBLEE-ONGXEEELSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@@H](CNC(=O)c1cc(O)cc(C#N)c1)[NH+](C)C ZINC000589168391 346671264 /nfs/dbraw/zinc/67/12/64/346671264.db2.gz AQKAKQDEYSEALX-VIFPVBQESA-N 1 0 247.298 0.944 20 30 BCEDRO CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000580189280 346638368 /nfs/dbraw/zinc/63/83/68/346638368.db2.gz LEAORCJULOVUDL-LMLFDSFASA-N 1 0 210.277 0.682 20 30 BCEDRO C[C@@H]1CN(c2cncc(C#N)n2)CC[NH2+]1 ZINC000401470665 346727932 /nfs/dbraw/zinc/72/79/32/346727932.db2.gz YVTLLVFTDQWGOX-MRVPVSSYSA-N 1 0 203.249 0.146 20 30 BCEDRO C[C@H]1CN(c2cncc(C#N)n2)CC[NH2+]1 ZINC000401470667 346728119 /nfs/dbraw/zinc/72/81/19/346728119.db2.gz YVTLLVFTDQWGOX-QMMMGPOBSA-N 1 0 203.249 0.146 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000053246067 346729701 /nfs/dbraw/zinc/72/97/01/346729701.db2.gz ZOTSHQDMZYUIIF-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C(C)(C)c1c[nH]cn1 ZINC000621991264 370647600 /nfs/dbraw/zinc/64/76/00/370647600.db2.gz MFEFDDNIEXRACM-SECBINFHSA-N 1 0 237.303 0.741 20 30 BCEDRO C[N@H+](C[C@@H](O)CN1CC[C@@](F)(C#N)C1)C1CC1 ZINC000589261615 346682183 /nfs/dbraw/zinc/68/21/83/346682183.db2.gz CTYZDJFIJLKVRQ-VXGBXAGGSA-N 1 0 241.310 0.379 20 30 BCEDRO Cc1cn[nH]c1C[NH2+]C1CCN(CC#N)CC1 ZINC000589311417 346689991 /nfs/dbraw/zinc/68/99/91/346689991.db2.gz DSGUGJKYULTWAS-UHFFFAOYSA-N 1 0 233.319 0.796 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cccc(C#N)n1 ZINC000589335567 346692134 /nfs/dbraw/zinc/69/21/34/346692134.db2.gz OYSKFYWOAPDVED-LLVKDONJSA-N 1 0 244.298 0.777 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053246066 346729313 /nfs/dbraw/zinc/72/93/13/346729313.db2.gz ZOTSHQDMZYUIIF-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO CCc1nc(C#N)cc(NC2C[NH2+]C2)n1 ZINC000308242394 346764775 /nfs/dbraw/zinc/76/47/75/346764775.db2.gz NILOJOIDIQLBOB-UHFFFAOYSA-N 1 0 203.249 0.294 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CCCC#N)[C@@H]2C1 ZINC000590046963 346767823 /nfs/dbraw/zinc/76/78/23/346767823.db2.gz QAULENGIVLPYHE-WDEREUQCSA-N 1 0 221.304 0.843 20 30 BCEDRO CC(C)[C@H](O)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000584326905 346769670 /nfs/dbraw/zinc/76/96/70/346769670.db2.gz WWFNURDYUVKXJJ-JTQLQIEISA-N 1 0 239.319 0.107 20 30 BCEDRO COCC[N@H+](C[C@H](C)CCC#N)[C@H](C)C(N)=O ZINC000589820462 346738549 /nfs/dbraw/zinc/73/85/49/346738549.db2.gz QRXBAMVTHWTJPG-GHMZBOCLSA-N 1 0 241.335 0.748 20 30 BCEDRO COCCOC1(C[NH2+]CCC#N)CCOCC1 ZINC000577172295 365854334 /nfs/dbraw/zinc/85/43/34/365854334.db2.gz OKTZGGYENKPBHC-UHFFFAOYSA-N 1 0 242.319 0.702 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000589941345 346754396 /nfs/dbraw/zinc/75/43/96/346754396.db2.gz DVWYBSBICIIUNE-BXKDBHETSA-N 1 0 244.298 0.662 20 30 BCEDRO C[C@H]1C[C@H](Nc2cncc(C#N)n2)CC[NH2+]1 ZINC000401536677 346782128 /nfs/dbraw/zinc/78/21/28/346782128.db2.gz YEGRNGMLMYJUEG-DTWKUNHWSA-N 1 0 217.276 0.901 20 30 BCEDRO C[C@H](CNC(=O)CC1(C#N)CC1)[NH+](C)C ZINC000590153219 346783484 /nfs/dbraw/zinc/78/34/84/346783484.db2.gz CPYIBDCCZXUHEG-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO N#C[C@H]1CC[C@@H]([N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000590162471 346785163 /nfs/dbraw/zinc/78/51/63/346785163.db2.gz MBWYJXLOJSIAOF-ZRUFSTJUSA-N 1 0 210.277 0.106 20 30 BCEDRO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000590162470 346785448 /nfs/dbraw/zinc/78/54/48/346785448.db2.gz MBWYJXLOJSIAOF-YTWAJWBKSA-N 1 0 210.277 0.106 20 30 BCEDRO C=CCOCCC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000309732076 347150915 /nfs/dbraw/zinc/15/09/15/347150915.db2.gz BIOCOZOSYVRLDB-WDEREUQCSA-N 1 0 226.320 0.693 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2COC[C@H]2O)C1 ZINC000601290666 347160947 /nfs/dbraw/zinc/16/09/47/347160947.db2.gz ACIZOTDJYYXDIK-CHWFTXMASA-N 1 0 210.277 0.418 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2COC[C@H]2O)C1 ZINC000601290669 347161079 /nfs/dbraw/zinc/16/10/79/347161079.db2.gz ACIZOTDJYYXDIK-ZRUFSTJUSA-N 1 0 210.277 0.418 20 30 BCEDRO CCN(CCC#N)S(=O)(=O)CCC[NH+](C)C ZINC000601336487 347228967 /nfs/dbraw/zinc/22/89/67/347228967.db2.gz BOWHXHHOQISRGL-UHFFFAOYSA-N 1 0 247.364 0.503 20 30 BCEDRO C=CCOCCC[NH2+]C(C)(C)CC(N)=O ZINC000336760983 347263379 /nfs/dbraw/zinc/26/33/79/347263379.db2.gz MRCPGVILIFUKDR-UHFFFAOYSA-N 1 0 214.309 0.823 20 30 BCEDRO C[C@H]1C[N@H+](CCCCC#N)CCN1CCO ZINC000187706909 347263807 /nfs/dbraw/zinc/26/38/07/347263807.db2.gz GURNCWHKDZJCHZ-LBPRGKRZSA-N 1 0 225.336 0.679 20 30 BCEDRO C[NH+](C)CCCS(=O)(=O)NCC1(C#N)CC1 ZINC000601410834 347332605 /nfs/dbraw/zinc/33/26/05/347332605.db2.gz KXGCSDWBIIKGON-UHFFFAOYSA-N 1 0 245.348 0.161 20 30 BCEDRO CC[N@H+](CC(=O)N1CC(C#N)C1)C1CC1 ZINC000590488589 347382913 /nfs/dbraw/zinc/38/29/13/347382913.db2.gz UTDMWLMNHQXYIG-UHFFFAOYSA-N 1 0 207.277 0.453 20 30 BCEDRO CC1CC[NH+](CC(=O)N2CC(C#N)C2)CC1 ZINC000590489198 347386300 /nfs/dbraw/zinc/38/63/00/347386300.db2.gz NNODARHEEXEUOP-UHFFFAOYSA-N 1 0 221.304 0.700 20 30 BCEDRO C=CCOCC(=O)N(C)Cc1c[nH]cn1 ZINC000616924409 347454335 /nfs/dbraw/zinc/45/43/35/347454335.db2.gz IQVBPPRIBDQTMA-UHFFFAOYSA-N 1 0 209.249 0.571 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000364415817 347418387 /nfs/dbraw/zinc/41/83/87/347418387.db2.gz DWEYMFOXMUUWOI-JQWIXIFHSA-N 1 0 240.372 0.952 20 30 BCEDRO C#C[C@@H](C)NC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000364415819 347418773 /nfs/dbraw/zinc/41/87/73/347418773.db2.gz DWEYMFOXMUUWOI-ZYHUDNBSSA-N 1 0 240.372 0.952 20 30 BCEDRO CNC(NCC[C@@H]1c2ccccc2NC1=O)=[NH+]C ZINC000195523250 347457340 /nfs/dbraw/zinc/45/73/40/347457340.db2.gz OIXZUDRIYACBGA-SNVBAGLBSA-N 1 0 246.314 0.907 20 30 BCEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1nccc(C#N)n1 ZINC000590696029 347492846 /nfs/dbraw/zinc/49/28/46/347492846.db2.gz ISAWHNKYPIKGQA-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC#CCOC ZINC000590761488 347523861 /nfs/dbraw/zinc/52/38/61/347523861.db2.gz GGRUKGCQLVBDOE-NEPJUHHUSA-N 1 0 239.315 0.958 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCCC2(CC2)C1 ZINC000334248806 347554141 /nfs/dbraw/zinc/55/41/41/347554141.db2.gz RBCNPDBKVCVHEN-UHFFFAOYSA-N 1 0 207.277 0.502 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)C#N ZINC000590936359 347592617 /nfs/dbraw/zinc/59/26/17/347592617.db2.gz XPLLMQPDPQKPGQ-QWRGUYRKSA-N 1 0 238.335 0.882 20 30 BCEDRO CCCCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000591241585 347632832 /nfs/dbraw/zinc/63/28/32/347632832.db2.gz KYXMOBFYRDVDJC-GFCCVEGCSA-N 1 0 227.352 0.973 20 30 BCEDRO N#CC1(CNC(=O)NC[C@@H]2CCCC[NH2+]2)CC1 ZINC000591357588 347644425 /nfs/dbraw/zinc/64/44/25/347644425.db2.gz WEUHQMCTSZBHEU-JTQLQIEISA-N 1 0 236.319 0.731 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591358752 347645187 /nfs/dbraw/zinc/64/51/87/347645187.db2.gz AKTCXPGOXYMSSA-QWRGUYRKSA-N 1 0 238.335 0.930 20 30 BCEDRO N#C[C@]1(F)CCN(C(=O)NCC2([NH3+])CCC2)C1 ZINC000591360132 347645459 /nfs/dbraw/zinc/64/54/59/347645459.db2.gz ZQZUXKTYKSYFGW-SNVBAGLBSA-N 1 0 240.282 0.515 20 30 BCEDRO CC[NH2+][C@H](C)CNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000591361134 347646194 /nfs/dbraw/zinc/64/61/94/347646194.db2.gz FTQDTKZXUOQQLA-MWLCHTKSSA-N 1 0 242.298 0.632 20 30 BCEDRO N#C[C@]1(C(=O)N2C[C@H]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000591615708 347679684 /nfs/dbraw/zinc/67/96/84/347679684.db2.gz SRRFBZAIOQSLNO-NQBHXWOUSA-N 1 0 233.315 0.748 20 30 BCEDRO CS[C@@H](C)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000591757181 347691495 /nfs/dbraw/zinc/69/14/95/347691495.db2.gz PEGUVTBEYICMHS-WDEREUQCSA-N 1 0 245.392 0.534 20 30 BCEDRO CO[C@@H](C[NH+]1CCN(CCC#N)CC1)C1CC1 ZINC000591845746 347706356 /nfs/dbraw/zinc/70/63/56/347706356.db2.gz SNQUHMRYACOKAV-ZDUSSCGKSA-N 1 0 237.347 0.943 20 30 BCEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1cncc(C#N)n1 ZINC000591460068 347665783 /nfs/dbraw/zinc/66/57/83/347665783.db2.gz LLJCFQCXBUOKHI-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000592217421 347762723 /nfs/dbraw/zinc/76/27/23/347762723.db2.gz MJDUWWGZFAQEMA-ATZCPNFKSA-N 1 0 242.298 0.759 20 30 BCEDRO CN(CCCO)Cc1ccncc1C#N ZINC000592120491 347736645 /nfs/dbraw/zinc/73/66/45/347736645.db2.gz DABQNTINRIAHAZ-UHFFFAOYSA-N 1 0 205.261 0.767 20 30 BCEDRO COc1nccc(CN2CC[C@](O)(CC#N)C2)n1 ZINC000592150015 347740601 /nfs/dbraw/zinc/74/06/01/347740601.db2.gz ACLXBYORGHSTJI-GFCCVEGCSA-N 1 0 248.286 0.336 20 30 BCEDRO Cc1cc(CN2CC[C@](O)(CC#N)C2)nn1C ZINC000592149222 347740619 /nfs/dbraw/zinc/74/06/19/347740619.db2.gz KYVNOCQDGCTWPX-GFCCVEGCSA-N 1 0 234.303 0.579 20 30 BCEDRO COc1nccc(CN2CC[C@@](O)(CC#N)C2)n1 ZINC000592150017 347741022 /nfs/dbraw/zinc/74/10/22/347741022.db2.gz ACLXBYORGHSTJI-LBPRGKRZSA-N 1 0 248.286 0.336 20 30 BCEDRO N#CC[C@]1(O)CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000592151052 347742737 /nfs/dbraw/zinc/74/27/37/347742737.db2.gz JSEPMIXTSSAWDF-QWRGUYRKSA-N 1 0 210.277 0.516 20 30 BCEDRO CCOCC[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152791 347743459 /nfs/dbraw/zinc/74/34/59/347743459.db2.gz DEGIXQPUZCZVIA-NWDGAFQWSA-N 1 0 242.319 0.124 20 30 BCEDRO CSC[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592155147 347745314 /nfs/dbraw/zinc/74/53/14/347745314.db2.gz YSTBUWYSKZHRKS-NXEZZACHSA-N 1 0 230.333 0.061 20 30 BCEDRO N#Cc1c2c(cn(C[C@H]3CC[NH2+]C3)c1=O)CCC2 ZINC000592165563 347746666 /nfs/dbraw/zinc/74/66/66/347746666.db2.gz AXOJYWVJEDQEKE-JTQLQIEISA-N 1 0 243.310 0.818 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592200920 347752783 /nfs/dbraw/zinc/75/27/83/347752783.db2.gz WUYOCERLPSMCKC-SDDRHHMPSA-N 1 0 239.315 0.644 20 30 BCEDRO C=C(CC)C[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592203309 347755116 /nfs/dbraw/zinc/75/51/16/347755116.db2.gz GHKAJEQDWQXOMC-GHMZBOCLSA-N 1 0 227.304 0.808 20 30 BCEDRO C=CCNC(=O)C[N@H+](CC)CCSC ZINC000592204256 347755845 /nfs/dbraw/zinc/75/58/45/347755845.db2.gz SHVBJELGVLTPGQ-UHFFFAOYSA-N 1 0 216.350 0.974 20 30 BCEDRO C[NH+]1CCC2(CC1)CN(CC#N)CCO2 ZINC000592183219 347760129 /nfs/dbraw/zinc/76/01/29/347760129.db2.gz SZNSKCUNBJNSOX-UHFFFAOYSA-N 1 0 209.293 0.307 20 30 BCEDRO CC[C@H](CO)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000345820724 365922224 /nfs/dbraw/zinc/92/22/24/365922224.db2.gz IVGXKWBKBFHRNP-LLVKDONJSA-N 1 0 241.335 0.451 20 30 BCEDRO C[C@@H]1[C@H](C(=O)NCC2(C#N)CC2)CC[N@@H+]1C ZINC000592797384 347817157 /nfs/dbraw/zinc/81/71/57/347817157.db2.gz UXFGGRSZVNVSCM-NXEZZACHSA-N 1 0 221.304 0.747 20 30 BCEDRO N#CCCN1CCN(c2ncc[nH]2)CC1 ZINC000577289859 365918259 /nfs/dbraw/zinc/91/82/59/365918259.db2.gz QPQUQBIYJTVEKX-UHFFFAOYSA-N 1 0 205.265 0.445 20 30 BCEDRO N#Cc1cnccc1CN1CCO[C@H](C[NH3+])C1 ZINC000592480873 347786509 /nfs/dbraw/zinc/78/65/09/347786509.db2.gz QRKKVKOOZNLTND-GFCCVEGCSA-N 1 0 232.287 0.113 20 30 BCEDRO C=CCCCN1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592487606 347786765 /nfs/dbraw/zinc/78/67/65/347786765.db2.gz DYCPGODSHIKFMP-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO COCC#CC[NH2+]C1(CC(=O)OC)CC1 ZINC000593057473 347848044 /nfs/dbraw/zinc/84/80/44/347848044.db2.gz KGABWSFBSOIGSW-UHFFFAOYSA-N 1 0 211.261 0.322 20 30 BCEDRO C[C@H](CCO)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000593107240 347859685 /nfs/dbraw/zinc/85/96/85/347859685.db2.gz BUEUKXLJJAVLCJ-LLVKDONJSA-N 1 0 241.335 0.451 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)CCO ZINC000593110383 347861181 /nfs/dbraw/zinc/86/11/81/347861181.db2.gz WIVUAYNOYMAJGB-NSHDSACASA-N 1 0 241.335 0.451 20 30 BCEDRO C[C@@H](C#N)NC(=O)Cc1cn2c(n1)CCCC2 ZINC000593421722 347894593 /nfs/dbraw/zinc/89/45/93/347894593.db2.gz BWYGYPCMZWTZDK-VIFPVBQESA-N 1 0 232.287 0.790 20 30 BCEDRO N#CC1(CNC(=O)NCCC2(C[NH3+])CC2)CC1 ZINC000593707104 347931208 /nfs/dbraw/zinc/93/12/08/347931208.db2.gz FHESHPPHZCCJQG-UHFFFAOYSA-N 1 0 236.319 0.718 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000593499463 347906643 /nfs/dbraw/zinc/90/66/43/347906643.db2.gz SFOGGTCMQFLWPG-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO N#CC1(C(=O)N2CC[C@H](C[NH3+])C2)CCCC1 ZINC000593904096 347967917 /nfs/dbraw/zinc/96/79/17/347967917.db2.gz JKOLGYNCRWBKKZ-SNVBAGLBSA-N 1 0 221.304 0.878 20 30 BCEDRO C[C@H](O)C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000593959952 347971786 /nfs/dbraw/zinc/97/17/86/347971786.db2.gz VOOCQQLMNUUEBU-VIFPVBQESA-N 1 0 205.261 0.766 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000577409308 365948359 /nfs/dbraw/zinc/94/83/59/365948359.db2.gz UYGIBSHRTMGTAC-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CC[C@@](F)(C#N)C1 ZINC000593973157 347985803 /nfs/dbraw/zinc/98/58/03/347985803.db2.gz MEPNEXNWRHRVHG-WDEREUQCSA-N 1 0 229.299 0.237 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000491793358 490119781 /nfs/dbraw/zinc/11/97/81/490119781.db2.gz KNNZDLDUMMJZDK-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C[C@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)OC ZINC000594556897 348071206 /nfs/dbraw/zinc/07/12/06/348071206.db2.gz VKDWWNVECMVZDG-AXFHLTTASA-N 1 0 226.320 0.644 20 30 BCEDRO CN1CCN(C(=O)CCCCC#N)[C@H](C[NH3+])C1 ZINC000594427561 348043645 /nfs/dbraw/zinc/04/36/45/348043645.db2.gz VCDSITUTQDMLPI-LLVKDONJSA-N 1 0 238.335 0.172 20 30 BCEDRO CC[C@H](COC)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594427118 348043685 /nfs/dbraw/zinc/04/36/85/348043685.db2.gz GEZLNXHIYFWPKK-MNOVXSKESA-N 1 0 241.335 0.939 20 30 BCEDRO C[C@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CCO1 ZINC000594430218 348045763 /nfs/dbraw/zinc/04/57/63/348045763.db2.gz XBNCRNDGNDPPKW-WDEREUQCSA-N 1 0 239.319 0.645 20 30 BCEDRO CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@@H]1CCOC1 ZINC000594434997 348046710 /nfs/dbraw/zinc/04/67/10/348046710.db2.gz YICUEUBRPZRPBJ-MNOVXSKESA-N 1 0 239.319 0.645 20 30 BCEDRO CC[C@H](O)CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436456 348046836 /nfs/dbraw/zinc/04/68/36/348046836.db2.gz JIKALDSQCDTPOJ-QWRGUYRKSA-N 1 0 241.335 0.675 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594405248 348047819 /nfs/dbraw/zinc/04/78/19/348047819.db2.gz VNTUEDPZVUXZSA-GARJFASQSA-N 1 0 223.320 0.993 20 30 BCEDRO CCOCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594425962 348051871 /nfs/dbraw/zinc/05/18/71/348051871.db2.gz BSXVGDQZNLJLRB-SNVBAGLBSA-N 1 0 227.308 0.550 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000594426140 348052345 /nfs/dbraw/zinc/05/23/45/348052345.db2.gz NNRWLUXXDDJSHH-QWRGUYRKSA-N 1 0 239.319 0.693 20 30 BCEDRO COCC(C)(C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594439218 348054258 /nfs/dbraw/zinc/05/42/58/348054258.db2.gz OPLKGCOAWHTOQA-SNVBAGLBSA-N 1 0 241.335 0.939 20 30 BCEDRO N#CCC1C[NH+](C[C@@]2(O)CCCOC2)C1 ZINC000594715773 348105434 /nfs/dbraw/zinc/10/54/34/348105434.db2.gz CDOBCRGESMVMPF-NSHDSACASA-N 1 0 210.277 0.373 20 30 BCEDRO COC[C@@H](C)OC[C@@H](O)C[NH+]1CC(CC#N)C1 ZINC000594715991 348105493 /nfs/dbraw/zinc/10/54/93/348105493.db2.gz FRLPEYRUMFJIHM-PWSUYJOCSA-N 1 0 242.319 0.244 20 30 BCEDRO C=CCOCCC[NH2+]C[C@H](O)CSC ZINC000594731227 348113325 /nfs/dbraw/zinc/11/33/25/348113325.db2.gz GWTWGHIJXUCVPX-JTQLQIEISA-N 1 0 219.350 0.893 20 30 BCEDRO N#CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000368924249 348084895 /nfs/dbraw/zinc/08/48/95/348084895.db2.gz JFWKNAQSMOTYOW-SDDRHHMPSA-N 1 0 233.315 0.843 20 30 BCEDRO N#CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000368924248 348084955 /nfs/dbraw/zinc/08/49/55/348084955.db2.gz JFWKNAQSMOTYOW-QJPTWQEYSA-N 1 0 233.315 0.843 20 30 BCEDRO C[NH+](C)CCc1cn(CCCC#N)nn1 ZINC000594650042 348088843 /nfs/dbraw/zinc/08/88/43/348088843.db2.gz PDNUITRUZYDSII-UHFFFAOYSA-N 1 0 207.281 0.686 20 30 BCEDRO N#CCCCn1cc(CCCC[NH3+])nn1 ZINC000594650444 348089331 /nfs/dbraw/zinc/08/93/31/348089331.db2.gz VKIQXWIZEDSYQL-UHFFFAOYSA-N 1 0 207.281 0.863 20 30 BCEDRO C[C@H](C[NH3+])n1cc(-c2cncc(C#N)c2)nn1 ZINC000594653697 348091748 /nfs/dbraw/zinc/09/17/48/348091748.db2.gz XXMHWRITKQIBHR-MRVPVSSYSA-N 1 0 228.259 0.731 20 30 BCEDRO N#Cc1cncc(-c2cn([C@H]3CC[NH2+]C3)nn2)c1 ZINC000594656432 348092580 /nfs/dbraw/zinc/09/25/80/348092580.db2.gz UTNSKGLNMHEICR-NSHDSACASA-N 1 0 240.270 0.746 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594933703 348140739 /nfs/dbraw/zinc/14/07/39/348140739.db2.gz BGUHTNXFKYGOFQ-RHYQMDGZSA-N 1 0 241.331 0.958 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594933699 348140957 /nfs/dbraw/zinc/14/09/57/348140957.db2.gz BGUHTNXFKYGOFQ-KXNHARMFSA-N 1 0 241.331 0.958 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594944225 348145016 /nfs/dbraw/zinc/14/50/16/348145016.db2.gz RRVXUFOHHCYUCO-OUAUKWLOSA-N 1 0 227.304 0.976 20 30 BCEDRO Cc1cc(C[NH2+][C@H]2CCNC2=O)ccc1C#N ZINC000594967750 348161212 /nfs/dbraw/zinc/16/12/12/348161212.db2.gz VDLAODHRLHYUKX-LBPRGKRZSA-N 1 0 229.283 0.845 20 30 BCEDRO N#Cc1ccc2ncc(C[NH2+][C@H]3C[C@H](O)C3)n2c1 ZINC000595001371 348169270 /nfs/dbraw/zinc/16/92/70/348169270.db2.gz VGTUIQXZEYDGJG-UMSPYCQHSA-N 1 0 242.282 0.819 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)NCC(C)(C)CC#N ZINC000595266712 348219560 /nfs/dbraw/zinc/21/95/60/348219560.db2.gz BGNRUCSCECABBK-VIFPVBQESA-N 1 0 226.324 0.833 20 30 BCEDRO N#CCC[N@H+](CC1CC1)C[C@H]1CNC(=O)C1 ZINC000595336022 348220705 /nfs/dbraw/zinc/22/07/05/348220705.db2.gz YZIGYLCCBVFAFK-LLVKDONJSA-N 1 0 221.304 0.748 20 30 BCEDRO N#Cc1ccc(CC[NH+](CCO)CCO)cc1 ZINC000595306050 348222148 /nfs/dbraw/zinc/22/21/48/348222148.db2.gz GPHLFFWZUYTCSZ-UHFFFAOYSA-N 1 0 234.299 0.387 20 30 BCEDRO CC#CCN1CC[NH+](CCOCC)CC1 ZINC000119154352 348200510 /nfs/dbraw/zinc/20/05/10/348200510.db2.gz ZMOBQKNNQYLQPS-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO CN(CCC[NH3+])C(=O)CC1(C#N)CCOCC1 ZINC000595254116 348203347 /nfs/dbraw/zinc/20/33/47/348203347.db2.gz STQAQHWQHHKXTM-UHFFFAOYSA-N 1 0 239.319 0.504 20 30 BCEDRO C=CCSCCNC(=O)N[C@H](C)C[NH2+]C ZINC000595262711 348206961 /nfs/dbraw/zinc/20/69/61/348206961.db2.gz BGMHUZXGZVXHOR-SECBINFHSA-N 1 0 231.365 0.813 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000595264597 348207610 /nfs/dbraw/zinc/20/76/10/348207610.db2.gz CPTIXHMVEXKJMQ-PWSUYJOCSA-N 1 0 236.319 0.684 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595265618 348207624 /nfs/dbraw/zinc/20/76/24/348207624.db2.gz RNYZRTTZQNVGFA-SCZZXKLOSA-N 1 0 210.281 0.279 20 30 BCEDRO C[C@@H](CC[NH3+])NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595265298 348207694 /nfs/dbraw/zinc/20/76/94/348207694.db2.gz NYXAIZBJBUHKPR-GXSJLCMTSA-N 1 0 224.308 0.669 20 30 BCEDRO CCC[NH2+]CCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595265679 348207862 /nfs/dbraw/zinc/20/78/62/348207862.db2.gz SSCZIFIYEQTNHE-LBPRGKRZSA-N 1 0 238.335 0.931 20 30 BCEDRO CC(C)([NH3+])CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595266101 348208248 /nfs/dbraw/zinc/20/82/48/348208248.db2.gz ZLLXLELWSKGDPF-LLVKDONJSA-N 1 0 224.308 0.669 20 30 BCEDRO CC(C)OC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000595248581 348209345 /nfs/dbraw/zinc/20/93/45/348209345.db2.gz ALJBMZSOJNPQSB-AXFHLTTASA-N 1 0 239.319 0.547 20 30 BCEDRO C[NH2+]CCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595269065 348209686 /nfs/dbraw/zinc/20/96/86/348209686.db2.gz ZRZZXJRLMGXCLS-JTQLQIEISA-N 1 0 210.281 0.151 20 30 BCEDRO CC[NH2+]CCCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595268441 348209711 /nfs/dbraw/zinc/20/97/11/348209711.db2.gz UDKQRYOYXNKLTF-LBPRGKRZSA-N 1 0 238.335 0.931 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000595268140 348209988 /nfs/dbraw/zinc/20/99/88/348209988.db2.gz QYBMPKVUOYYNOH-PWSUYJOCSA-N 1 0 236.319 0.669 20 30 BCEDRO C[C@@H](NC(=O)N1CC[C@](C)(C#N)C1)[C@H](C)[NH3+] ZINC000595274094 348210403 /nfs/dbraw/zinc/21/04/03/348210403.db2.gz QKVLMWQEMMJXEZ-IQJOONFLSA-N 1 0 224.308 0.667 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595274093 348210700 /nfs/dbraw/zinc/21/07/00/348210700.db2.gz QKVLMWQEMMJXEZ-ATZCPNFKSA-N 1 0 224.308 0.667 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N(C)CC(C)(C)C#N ZINC000595275958 348211156 /nfs/dbraw/zinc/21/11/56/348211156.db2.gz SQCURBYIEMACLQ-SECBINFHSA-N 1 0 226.324 0.785 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000595275174 348211182 /nfs/dbraw/zinc/21/11/82/348211182.db2.gz IMCPRPFFKXTTCC-PWSUYJOCSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H](C#N)C[N@H+](C[C@H]1CNC(=O)C1)C1CC1 ZINC000595390025 348243723 /nfs/dbraw/zinc/24/37/23/348243723.db2.gz SLORVCBXWFHFSE-VHSXEESVSA-N 1 0 221.304 0.747 20 30 BCEDRO N#CCCN1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000595393066 348237616 /nfs/dbraw/zinc/23/76/16/348237616.db2.gz UYMQPXWCZSYMNI-CHWSQXEVSA-N 1 0 237.347 0.821 20 30 BCEDRO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623945 348292292 /nfs/dbraw/zinc/29/22/92/348292292.db2.gz ZHKPIFCNHDATST-ZYHUDNBSSA-N 1 0 240.303 0.536 20 30 BCEDRO C[C@@H]1C[N@H+](CCO)CCN1CCCC#N ZINC000595522854 348270001 /nfs/dbraw/zinc/27/00/01/348270001.db2.gz OWOWXCBJPIAQAB-LLVKDONJSA-N 1 0 211.309 0.289 20 30 BCEDRO CC[C@@H](CC#N)NC[C@H](O)C[N@H+](C)C(C)C ZINC000595529092 348272627 /nfs/dbraw/zinc/27/26/27/348272627.db2.gz HISWSTZUAPBXBA-RYUDHWBXSA-N 1 0 227.352 0.969 20 30 BCEDRO COC(=O)[C@H]1CN(CCCC#N)CC[N@H+](C)C1 ZINC000595533568 348275078 /nfs/dbraw/zinc/27/50/78/348275078.db2.gz BIMIMFBROUXYQB-LLVKDONJSA-N 1 0 239.319 0.327 20 30 BCEDRO CN(C)C(=O)[C@H]1CC[N@H+](CCCC#N)C1 ZINC000595541849 348277068 /nfs/dbraw/zinc/27/70/68/348277068.db2.gz DAWOJOBILAGINM-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO CN(CCOCCC#N)Cc1c[nH]cn1 ZINC000595593300 348278907 /nfs/dbraw/zinc/27/89/07/348278907.db2.gz UNGHLPABOQHGHG-UHFFFAOYSA-N 1 0 208.265 0.772 20 30 BCEDRO C=CC[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC000595601616 348286042 /nfs/dbraw/zinc/28/60/42/348286042.db2.gz DIFZVEXEYLXGTF-UWVGGRQHSA-N 1 0 239.319 0.906 20 30 BCEDRO N#CC1(C[N@@H+]2CC[C@@H](Cn3ccnn3)C2)CC1 ZINC000595607235 348287145 /nfs/dbraw/zinc/28/71/45/348287145.db2.gz JNZBTHNFYARFQK-LLVKDONJSA-N 1 0 231.303 0.904 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000595621445 348290691 /nfs/dbraw/zinc/29/06/91/348290691.db2.gz VARJGIKMWZYKJM-QWRGUYRKSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC000595659581 348299320 /nfs/dbraw/zinc/29/93/20/348299320.db2.gz OCLBJIXVWLCNDA-VHSXEESVSA-N 1 0 229.276 0.109 20 30 BCEDRO CC#CCN1C[C@@H](C)[N@H+](CCO)C[C@H]1C ZINC000419319279 192121259 /nfs/dbraw/zinc/12/12/59/192121259.db2.gz CKWGNTTVUPMXCM-VXGBXAGGSA-N 1 0 210.321 0.397 20 30 BCEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000595665422 348302083 /nfs/dbraw/zinc/30/20/83/348302083.db2.gz ZSHFWTBITKLKLX-VPOLOUISSA-N 1 0 238.287 0.599 20 30 BCEDRO C=CC[N@H+](C[C@@](C)(O)C(=O)OC)[C@H](C)COC ZINC000595639832 348303694 /nfs/dbraw/zinc/30/36/94/348303694.db2.gz XGCJNRDMTLFMKI-ZYHUDNBSSA-N 1 0 245.319 0.433 20 30 BCEDRO C=C(C)C[N@H+]1C[C@H](C)N(CCO)C[C@H]1C ZINC000419325726 192122087 /nfs/dbraw/zinc/12/20/87/192122087.db2.gz LMSSAQCLUDDGQQ-NWDGAFQWSA-N 1 0 212.337 0.949 20 30 BCEDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000595670781 348309485 /nfs/dbraw/zinc/30/94/85/348309485.db2.gz CTARGEQWBUKUSF-WDEREUQCSA-N 1 0 239.319 0.109 20 30 BCEDRO N#CC1(NC(=O)C[N@@H+]2CC[C@H]3C[C@H]3C2)CCC1 ZINC000595809106 348349524 /nfs/dbraw/zinc/34/95/24/348349524.db2.gz GKSBXPJHBCWHTB-QWRGUYRKSA-N 1 0 233.315 0.891 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000268461570 166296734 /nfs/dbraw/zinc/29/67/34/166296734.db2.gz KOIMCIMXNPRRQD-WDEREUQCSA-N 1 0 228.336 0.627 20 30 BCEDRO C[C@]12COC[C@@H]1C[N@H+](CCOCCC#N)C2 ZINC000595760584 348332792 /nfs/dbraw/zinc/33/27/92/348332792.db2.gz UEFSUAGBMDNVTK-RYUDHWBXSA-N 1 0 224.304 0.885 20 30 BCEDRO C[C@H](CCC#N)[N@H+]1CCC(=O)N(C)CC1 ZINC000595771703 348336314 /nfs/dbraw/zinc/33/63/14/348336314.db2.gz DNZNOAWXKIRCNW-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO C[C@@]1(C#N)CC[N@H+](CC[C@H]2CCNC2=O)C1 ZINC000595842219 348378150 /nfs/dbraw/zinc/37/81/50/348378150.db2.gz QASIPDFVANSCOQ-PWSUYJOCSA-N 1 0 221.304 0.748 20 30 BCEDRO C[C@@H]1C[N@H+](CCOCCC#N)C[C@@]1(C)CO ZINC000595861622 348382833 /nfs/dbraw/zinc/38/28/33/348382833.db2.gz XHKDUBYRQMHCSC-NEPJUHHUSA-N 1 0 226.320 0.867 20 30 BCEDRO N#Cc1nccc(N[C@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000385939720 362912915 /nfs/dbraw/zinc/91/29/15/362912915.db2.gz LXHZDKFOVWQGQP-WDEREUQCSA-N 1 0 243.314 0.809 20 30 BCEDRO CCN(C[C@@H](O)C[N@H+](C)CCOC)[C@@H](C)C#N ZINC000595819637 348360423 /nfs/dbraw/zinc/36/04/23/348360423.db2.gz DIVKSOXDRUQJMF-RYUDHWBXSA-N 1 0 243.351 0.159 20 30 BCEDRO CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@H](C)C#N ZINC000595821376 348363129 /nfs/dbraw/zinc/36/31/29/348363129.db2.gz UWDYXDZRJHGQDD-NEPJUHHUSA-N 1 0 227.352 0.921 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H](CO)C1CCC1 ZINC000595962299 348405644 /nfs/dbraw/zinc/40/56/44/348405644.db2.gz JPHCBHYJOSTQRK-WDEREUQCSA-N 1 0 239.319 0.285 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H](CO)C1CCC1 ZINC000595962298 348405684 /nfs/dbraw/zinc/40/56/84/348405684.db2.gz JPHCBHYJOSTQRK-QWRGUYRKSA-N 1 0 239.319 0.285 20 30 BCEDRO CO[C@@H](C[NH3+])CC(=O)N1CC[C@](C)(C#N)C1 ZINC000595980384 348415035 /nfs/dbraw/zinc/41/50/35/348415035.db2.gz HDXKZZLZGRPBHU-MWLCHTKSSA-N 1 0 225.292 0.112 20 30 BCEDRO C[C@@H](C(=O)N1CC[C@@](C)(C#N)C1)[C@H](C)[NH3+] ZINC000595980695 348415224 /nfs/dbraw/zinc/41/52/24/348415224.db2.gz JAMACFFJLWUBPQ-YWVKMMECSA-N 1 0 209.293 0.732 20 30 BCEDRO C[NH2+]C[C@@H](C)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595981133 348415733 /nfs/dbraw/zinc/41/57/33/348415733.db2.gz MXIPTRDKQVILLE-MWLCHTKSSA-N 1 0 209.293 0.604 20 30 BCEDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@](C)(C#N)C1 ZINC000595981066 348415799 /nfs/dbraw/zinc/41/57/99/348415799.db2.gz LZJFPKVDAXBDPL-BXKDBHETSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595980749 348415808 /nfs/dbraw/zinc/41/58/08/348415808.db2.gz JUYNWCFNLLVYKC-UMNHJUIQSA-N 1 0 221.304 0.747 20 30 BCEDRO CC1(C(=O)N2CC[C@@](C)(C#N)C2)C[NH2+]C1 ZINC000595981070 348415825 /nfs/dbraw/zinc/41/58/25/348415825.db2.gz MAPYPBGSZJNQKW-JTQLQIEISA-N 1 0 207.277 0.358 20 30 BCEDRO CC1(C)C[NH2+][C@@H]1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595981069 348416096 /nfs/dbraw/zinc/41/60/96/348416096.db2.gz LZJFPKVDAXBDPL-SKDRFNHKSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000595981811 348416661 /nfs/dbraw/zinc/41/66/61/348416661.db2.gz QMCQQXOFNMVILM-XNDJQWLSSA-N 1 0 219.288 0.214 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000595981810 348416812 /nfs/dbraw/zinc/41/68/12/348416812.db2.gz QMCQQXOFNMVILM-FYLLDIAZSA-N 1 0 219.288 0.214 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000595982044 348417343 /nfs/dbraw/zinc/41/73/43/348417343.db2.gz RPWDQKRXMSKVQA-ZYHUDNBSSA-N 1 0 237.303 0.127 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000595982857 348418349 /nfs/dbraw/zinc/41/83/49/348418349.db2.gz YEFBSBKFKYFKSV-ZYHUDNBSSA-N 1 0 237.303 0.127 20 30 BCEDRO CC1(OCC(=O)N2CC[C@@](C)(C#N)C2)C[NH2+]C1 ZINC000595983211 348418371 /nfs/dbraw/zinc/41/83/71/348418371.db2.gz ZWOJHGIPYCSYAS-NSHDSACASA-N 1 0 237.303 0.127 20 30 BCEDRO N#Cc1ccc(CNC2(CO)CC[NH2+]CC2)cc1 ZINC000595897413 348393931 /nfs/dbraw/zinc/39/39/31/348393931.db2.gz XUXIHEYSQLEFLM-UHFFFAOYSA-N 1 0 245.326 0.762 20 30 BCEDRO C[C@@]1(C#N)CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000595905632 348396674 /nfs/dbraw/zinc/39/66/74/348396674.db2.gz WMHDUFYQOJVDPL-MNOVXSKESA-N 1 0 209.293 0.210 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC2CC1(C)C2 ZINC000595914870 348399628 /nfs/dbraw/zinc/39/96/28/348399628.db2.gz FWZFMGLWEYSMMU-UHFFFAOYSA-N 1 0 237.303 0.483 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]([NH3+])CCSC ZINC000595949271 348402816 /nfs/dbraw/zinc/40/28/16/348402816.db2.gz ZGPOFFFYQGJZDV-SNVBAGLBSA-N 1 0 246.376 0.776 20 30 BCEDRO CC(C)[C@@H](CO)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000595958988 348404782 /nfs/dbraw/zinc/40/47/82/348404782.db2.gz KPXKSLYZPLPEII-WDEREUQCSA-N 1 0 241.335 0.531 20 30 BCEDRO N#Cc1cncc(N2CCC[C@H]3C[NH2+]C[C@H]32)n1 ZINC000596013248 348430158 /nfs/dbraw/zinc/43/01/58/348430158.db2.gz GMYJNYJYMPSKNJ-GXSJLCMTSA-N 1 0 229.287 0.536 20 30 BCEDRO Cc1nsc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1C#N ZINC000596015131 348430414 /nfs/dbraw/zinc/43/04/14/348430414.db2.gz YWDUMXGWRCHDEM-BRPSZJMVSA-N 1 0 220.301 0.953 20 30 BCEDRO C[C@@H]1CN(c2ccc(C#N)c(N)n2)CC[NH2+]1 ZINC000596015633 348430513 /nfs/dbraw/zinc/43/05/13/348430513.db2.gz FWQUBCZTKRLDJG-MRVPVSSYSA-N 1 0 217.276 0.334 20 30 BCEDRO C[NH+](C)CCCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000596084240 348431865 /nfs/dbraw/zinc/43/18/65/348431865.db2.gz YLHHMLJCCZMUDM-GFCCVEGCSA-N 1 0 238.335 0.883 20 30 BCEDRO Cn1ncc(C#N)c1N1CCC[C@H]([NH+](C)C)C1 ZINC000596105998 348440363 /nfs/dbraw/zinc/44/03/63/348440363.db2.gz RSQUQKGPAMCDSX-NSHDSACASA-N 1 0 233.319 0.822 20 30 BCEDRO Cc1cc(N[C@H](CO)C[NH+](C)C)c(C#N)cn1 ZINC000596244484 348485871 /nfs/dbraw/zinc/48/58/71/348485871.db2.gz QHIQJYLEIRRZLK-NSHDSACASA-N 1 0 234.303 0.018 20 30 BCEDRO CN(CC[NH+](C)C)c1c(C#N)cnn1C ZINC000596150465 348452812 /nfs/dbraw/zinc/45/28/12/348452812.db2.gz BLYBQHGQPJDQDH-UHFFFAOYSA-N 1 0 207.281 0.290 20 30 BCEDRO Cn1ncc(C#N)c1N1CC([NH+](C)C)C1 ZINC000596179713 348455057 /nfs/dbraw/zinc/45/50/57/348455057.db2.gz PCNMSNQCKLEYSA-UHFFFAOYSA-N 1 0 205.265 0.042 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C#N)nn3)C[C@@H]21 ZINC000596267103 348480447 /nfs/dbraw/zinc/48/04/47/348480447.db2.gz WDWZQHVEFLDEQI-KOLCDFICSA-N 1 0 229.287 0.489 20 30 BCEDRO C[C@H](CCNC(=O)c1c[nH]c(C#N)c1)[NH+](C)C ZINC000596452340 348551972 /nfs/dbraw/zinc/55/19/72/348551972.db2.gz BMILQLKSHADDEI-SECBINFHSA-N 1 0 234.303 0.956 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(C#N)cn1C ZINC000596466100 348544412 /nfs/dbraw/zinc/54/44/12/348544412.db2.gz QFKKUSZMFCZNCS-UHFFFAOYSA-N 1 0 246.314 0.530 20 30 BCEDRO C[C@@H](CCNc1ccnc(C#N)n1)[NH+](C)C ZINC000596430871 348545095 /nfs/dbraw/zinc/54/50/95/348545095.db2.gz LELBFTSCGCAJTC-VIFPVBQESA-N 1 0 219.292 0.522 20 30 BCEDRO C[C@@H]1CN(c2cc(C#N)ncn2)CC[NH2+]1 ZINC000308778390 348547732 /nfs/dbraw/zinc/54/77/32/348547732.db2.gz BKXBGHNMKBPBMV-MRVPVSSYSA-N 1 0 203.249 0.146 20 30 BCEDRO CN(C[C@@H]1CCC[N@@H+]1C)c1c(C#N)cnn1C ZINC000596278452 348495297 /nfs/dbraw/zinc/49/52/97/348495297.db2.gz NFGMGUBMUNHYTE-NSHDSACASA-N 1 0 233.319 0.822 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)NCC1(C#N)CCC1 ZINC000419631785 192144232 /nfs/dbraw/zinc/14/42/32/192144232.db2.gz WDNPLZXGYSHUAO-UHFFFAOYSA-N 1 0 238.335 0.883 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000268435653 166303542 /nfs/dbraw/zinc/30/35/42/166303542.db2.gz DZUOGWWHJRANAQ-JQWIXIFHSA-N 1 0 245.294 0.901 20 30 BCEDRO C[C@H](CO)[N@H+](C)Cc1ccnc(C#N)c1 ZINC000159145679 348609936 /nfs/dbraw/zinc/60/99/36/348609936.db2.gz XIPWABKLPFZKQK-SECBINFHSA-N 1 0 205.261 0.766 20 30 BCEDRO CCN(C(=O)NC[C@@H](C)C#N)[C@H]1CC[N@H+](C)C1 ZINC000596550289 348586507 /nfs/dbraw/zinc/58/65/07/348586507.db2.gz LOPBTOZIDLAHCZ-QWRGUYRKSA-N 1 0 238.335 0.882 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)NCC1(C#N)CC1 ZINC000596587697 348593461 /nfs/dbraw/zinc/59/34/61/348593461.db2.gz WNWQZEUENKSTJK-UHFFFAOYSA-N 1 0 236.319 0.493 20 30 BCEDRO C[C@H](CC#N)C(=O)NCC[NH+]1CCCC1 ZINC000596673441 348601922 /nfs/dbraw/zinc/60/19/22/348601922.db2.gz IPOZVILICYDTCI-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000597446130 348738402 /nfs/dbraw/zinc/73/84/02/348738402.db2.gz LLLVAGXWQGWNJB-KXUCPTDWSA-N 1 0 244.360 0.037 20 30 BCEDRO C[C@@H](CC#N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000597179193 348680937 /nfs/dbraw/zinc/68/09/37/348680937.db2.gz HMGNLFJVWYARIQ-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO N#Cc1cnn2cc(C[NH2+][C@H]3C[C@H](O)C3)cnc12 ZINC000597245867 348689182 /nfs/dbraw/zinc/68/91/82/348689182.db2.gz MOENKVPEDPKTMM-XYPYZODXSA-N 1 0 243.270 0.214 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000398868426 323194255 /nfs/dbraw/zinc/19/42/55/323194255.db2.gz XZFJSJFBVCMIHI-SDDRHHMPSA-N 1 0 240.347 0.627 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(CO)o1 ZINC000184274780 348767618 /nfs/dbraw/zinc/76/76/18/348767618.db2.gz HYSJEKWISQSCHH-SECBINFHSA-N 1 0 211.261 0.799 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CC(C)(C#N)C2)CC1 ZINC000597605578 348768292 /nfs/dbraw/zinc/76/82/92/348768292.db2.gz WIHXFQWSOGVTRY-UHFFFAOYSA-N 1 0 207.277 0.453 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CC(C[NH+](C)C)C1 ZINC000597705281 348786223 /nfs/dbraw/zinc/78/62/23/348786223.db2.gz DTAIXRIIZDAYKF-SECBINFHSA-N 1 0 209.293 0.556 20 30 BCEDRO CCN(C(=O)CSCC#N)[C@@H]1CC[N@H+](C)C1 ZINC000597944569 348847217 /nfs/dbraw/zinc/84/72/17/348847217.db2.gz FIZKIZJXWBFLOS-SNVBAGLBSA-N 1 0 241.360 0.796 20 30 BCEDRO C[C@H](CCNC(=O)[C@@H](C)CC#N)[NH+](C)C ZINC000597992438 348851955 /nfs/dbraw/zinc/85/19/55/348851955.db2.gz LEYSTJBZWNQACQ-VHSXEESVSA-N 1 0 211.309 0.993 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000334635889 348864367 /nfs/dbraw/zinc/86/43/67/348864367.db2.gz HKOMJAZDPOEGLG-SNVBAGLBSA-N 1 0 204.277 0.926 20 30 BCEDRO CC1CC(C#N)(C(=O)N(C)CC2C[NH+](C)C2)C1 ZINC000598163473 348897163 /nfs/dbraw/zinc/89/71/63/348897163.db2.gz PORNZWXFXBMCFY-UHFFFAOYSA-N 1 0 235.331 0.946 20 30 BCEDRO C[C@H](C#N)N(C(=O)[C@H](C)[NH+](C)C)C1CC1 ZINC000598131876 348899499 /nfs/dbraw/zinc/89/94/99/348899499.db2.gz NTVLZFDRGRNPAW-BDAKNGLRSA-N 1 0 209.293 0.840 20 30 BCEDRO CC[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H](C)[NH2+]1 ZINC000598532186 348990644 /nfs/dbraw/zinc/99/06/44/348990644.db2.gz UBVWJVUOGKJTMJ-KXUCPTDWSA-N 1 0 209.293 0.745 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598621342 349002588 /nfs/dbraw/zinc/00/25/88/349002588.db2.gz KYDPCNFQVUKZNJ-GARJFASQSA-N 1 0 242.319 0.291 20 30 BCEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H]1CCNC1=O ZINC000598598197 348992158 /nfs/dbraw/zinc/99/21/58/348992158.db2.gz BLAFRXGSKQDEDO-UWVGGRQHSA-N 1 0 239.319 0.107 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000669128828 490215364 /nfs/dbraw/zinc/21/53/64/490215364.db2.gz OFOWBYNMLKRAKV-DCAQKATOSA-N 1 0 226.320 0.474 20 30 BCEDRO CC(C)[N@H+](CCO)C[C@H](O)CC(C)(C)C#N ZINC000598586419 348995519 /nfs/dbraw/zinc/99/55/19/348995519.db2.gz ULYWFOWIMYPUAY-LLVKDONJSA-N 1 0 228.336 0.990 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000598586928 348995652 /nfs/dbraw/zinc/99/56/52/348995652.db2.gz LIOJOYZKQIMLQH-NWDGAFQWSA-N 1 0 240.347 0.991 20 30 BCEDRO CC(C)[N@H+](CCO)C[C@@H](O)CC(C)(C)C#N ZINC000598586420 348995898 /nfs/dbraw/zinc/99/58/98/348995898.db2.gz ULYWFOWIMYPUAY-NSHDSACASA-N 1 0 228.336 0.990 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCC(CO)CC1 ZINC000598590260 348996820 /nfs/dbraw/zinc/99/68/20/348996820.db2.gz UAAIIGTXHSVXRQ-LBPRGKRZSA-N 1 0 240.347 0.991 20 30 BCEDRO C[N@@H+](C[C@H](O)C1CC1)C[C@@H](O)CC(C)(C)C#N ZINC000598592150 348997437 /nfs/dbraw/zinc/99/74/37/348997437.db2.gz GKCXHMWNJYWJLG-RYUDHWBXSA-N 1 0 240.347 0.990 20 30 BCEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC(C)(C)O ZINC000598593832 348998373 /nfs/dbraw/zinc/99/83/73/348998373.db2.gz WIHIZCTXCSPUOL-JTQLQIEISA-N 1 0 228.336 0.990 20 30 BCEDRO C=CCN1CC[C@H](N2CC[NH2+]C[C@@H]2C)C1=O ZINC000334783785 349047413 /nfs/dbraw/zinc/04/74/13/349047413.db2.gz BTNOWOMZBKVYAJ-QWRGUYRKSA-N 1 0 223.320 0.067 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598628821 349004760 /nfs/dbraw/zinc/00/47/60/349004760.db2.gz SWVWPLRICFBBMI-NXEZZACHSA-N 1 0 212.293 0.424 20 30 BCEDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000598678535 349021334 /nfs/dbraw/zinc/02/13/34/349021334.db2.gz RMXDYAHKDFILPC-GRYCIOLGSA-N 1 0 221.304 0.889 20 30 BCEDRO COCCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598703887 349022580 /nfs/dbraw/zinc/02/25/80/349022580.db2.gz JWADKRDYOUQTKD-JTQLQIEISA-N 1 0 214.309 0.913 20 30 BCEDRO CO[C@@H](C)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598706502 349022854 /nfs/dbraw/zinc/02/28/54/349022854.db2.gz SONYVXGCBDAUTJ-VHSXEESVSA-N 1 0 214.309 0.912 20 30 BCEDRO CO[C@H](C)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598706499 349022914 /nfs/dbraw/zinc/02/29/14/349022914.db2.gz SONYVXGCBDAUTJ-NXEZZACHSA-N 1 0 214.309 0.912 20 30 BCEDRO CO[C@@H](C)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598706500 349023406 /nfs/dbraw/zinc/02/34/06/349023406.db2.gz SONYVXGCBDAUTJ-UWVGGRQHSA-N 1 0 214.309 0.912 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCn1ccnc1 ZINC000598715693 349025780 /nfs/dbraw/zinc/02/57/80/349025780.db2.gz SENSOKCWVFURCV-NSHDSACASA-N 1 0 236.319 0.773 20 30 BCEDRO C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(=O)N(C)C ZINC000598718756 349027255 /nfs/dbraw/zinc/02/72/55/349027255.db2.gz GSZZIVSCYXSYBQ-UWVGGRQHSA-N 1 0 241.335 0.353 20 30 BCEDRO CN1CCC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598721531 349027606 /nfs/dbraw/zinc/02/76/06/349027606.db2.gz WUSSODGTEUCHRK-NWDGAFQWSA-N 1 0 239.363 0.971 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H]1CCOC1 ZINC000598720220 349027753 /nfs/dbraw/zinc/02/77/53/349027753.db2.gz MDHCCEBQACXNQC-MNOVXSKESA-N 1 0 226.320 0.913 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC000598723435 349028743 /nfs/dbraw/zinc/02/87/43/349028743.db2.gz HSXIOKNCYHWUBU-ZNSHCXBVSA-N 1 0 224.304 0.522 20 30 BCEDRO C[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)N(C)C ZINC000598726001 349029252 /nfs/dbraw/zinc/02/92/52/349029252.db2.gz LYHMGFLQBBGHMB-WDEREUQCSA-N 1 0 227.352 0.827 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCOC1 ZINC000598726837 349030035 /nfs/dbraw/zinc/03/00/35/349030035.db2.gz VTDSTCWEBNXKMI-ZJUUUORDSA-N 1 0 212.293 0.666 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCCOCCO ZINC000598728915 349031010 /nfs/dbraw/zinc/03/10/10/349031010.db2.gz GJAHEIVLKJJAIV-NSHDSACASA-N 1 0 244.335 0.276 20 30 BCEDRO C[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730230 349032866 /nfs/dbraw/zinc/03/28/66/349032866.db2.gz SBNTTYDEJFSDNX-IUCAKERBSA-N 1 0 200.282 0.258 20 30 BCEDRO CC(C)[C@@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730448 349032905 /nfs/dbraw/zinc/03/29/05/349032905.db2.gz VRURLPLZYXHQJC-MNOVXSKESA-N 1 0 228.336 0.894 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000598700818 349034065 /nfs/dbraw/zinc/03/40/65/349034065.db2.gz GAMUSFWITRHKAM-NSHDSACASA-N 1 0 240.347 0.990 20 30 BCEDRO CC(C)(CCC#N)C[NH2+]CCN1CC[C@H](O)C1 ZINC000599019082 349077355 /nfs/dbraw/zinc/07/73/55/349077355.db2.gz QCICUBJIWQHABE-LBPRGKRZSA-N 1 0 239.363 0.973 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)[C@H]1CCCCO1 ZINC000599047903 349089841 /nfs/dbraw/zinc/08/98/41/349089841.db2.gz DAKKFTZOIGKNAP-GHMZBOCLSA-N 1 0 249.318 0.697 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000599091539 349091360 /nfs/dbraw/zinc/09/13/60/349091360.db2.gz BZWOVGWMJZIRRO-UPJWGTAASA-N 1 0 237.347 0.725 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2O)C1 ZINC000599078859 349095419 /nfs/dbraw/zinc/09/54/19/349095419.db2.gz BZHVVCJDWAHSBZ-WRWGMCAJSA-N 1 0 224.304 0.808 20 30 BCEDRO C[N@@H+]1CCCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC000599138070 349097786 /nfs/dbraw/zinc/09/77/86/349097786.db2.gz FMTRSABVHKMDPZ-LLVKDONJSA-N 1 0 245.330 0.914 20 30 BCEDRO C[N@@H+]1CCCC[C@@H](CNc2ncncc2C#N)C1 ZINC000599140590 349098112 /nfs/dbraw/zinc/09/81/12/349098112.db2.gz WNQODOXYIXJINB-NSHDSACASA-N 1 0 245.330 0.914 20 30 BCEDRO Cc1cc(NCC[N@@H+]2CC[C@H](O)C2)cc(C#N)n1 ZINC000599200098 349117289 /nfs/dbraw/zinc/11/72/89/349117289.db2.gz WNFJVSYDFIWJEN-ZDUSSCGKSA-N 1 0 246.314 0.740 20 30 BCEDRO C#CCN(C(=O)C1CC[NH+](CC#C)CC1)C1CC1 ZINC000274067264 192398564 /nfs/dbraw/zinc/39/85/64/192398564.db2.gz PYAJQWBQCZLGLV-UHFFFAOYSA-N 1 0 244.338 0.956 20 30 BCEDRO N#C[C@@H]1CCC[C@H]1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000333793883 538029283 /nfs/dbraw/zinc/02/92/83/538029283.db2.gz MVTGXCIXTTVOFP-HBNTYKKESA-N 1 0 236.319 0.730 20 30 BCEDRO C[N@H+](C[C@@H](O)CC1(C#N)CC1)CC(C)(C)CO ZINC000599432592 349173198 /nfs/dbraw/zinc/17/31/98/349173198.db2.gz VSWHYAAXWAPZJM-NSHDSACASA-N 1 0 240.347 0.991 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000599526492 349207972 /nfs/dbraw/zinc/20/79/72/349207972.db2.gz NCLBMKFFWKVEBM-SECBINFHSA-N 1 0 225.292 0.469 20 30 BCEDRO C[N@H+](Cc1ccnc(C#N)c1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599645183 349239178 /nfs/dbraw/zinc/23/91/78/349239178.db2.gz QFWLDJWNOLMPJK-KLPPZKSPSA-N 1 0 244.298 0.649 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599563042 349219141 /nfs/dbraw/zinc/21/91/41/349219141.db2.gz HTHKRCDGYRZBAH-ZYHUDNBSSA-N 1 0 243.303 0.187 20 30 BCEDRO C[C@H](C(N)=O)N1CCc2c(CC#N)cccc2C1 ZINC000599685225 349243738 /nfs/dbraw/zinc/24/37/38/349243738.db2.gz APFACVWFGFTDEI-SNVBAGLBSA-N 1 0 243.310 0.985 20 30 BCEDRO C[NH2+]CCOCCNC(=O)NCCCCC#N ZINC000599911309 349269913 /nfs/dbraw/zinc/26/99/13/349269913.db2.gz BDHMZQCNVXRTGD-UHFFFAOYSA-N 1 0 242.323 0.215 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(CC#N)CC1 ZINC000599915659 349270477 /nfs/dbraw/zinc/27/04/77/349270477.db2.gz CJKHSRNCLFTFPG-VHSXEESVSA-N 1 0 236.319 0.730 20 30 BCEDRO C[C@H]1CC[C@@H](NC(=O)NCCCC#N)C[NH2+]1 ZINC000599917845 349270692 /nfs/dbraw/zinc/27/06/92/349270692.db2.gz KMCVZIBUJXUCSD-VHSXEESVSA-N 1 0 224.308 0.730 20 30 BCEDRO C[C@@H]1CC[C@@H](NC(=O)NCCCC#N)C[NH2+]1 ZINC000599917840 349270722 /nfs/dbraw/zinc/27/07/22/349270722.db2.gz KMCVZIBUJXUCSD-NXEZZACHSA-N 1 0 224.308 0.730 20 30 BCEDRO C[C@H]1CC[C@@H](NC(=O)NCC2(C#N)CC2)C[NH2+]1 ZINC000599916102 349270786 /nfs/dbraw/zinc/27/07/86/349270786.db2.gz IYEHCQVKWLIOLS-VHSXEESVSA-N 1 0 236.319 0.730 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)Cc1ccc(C#N)nc1 ZINC000599941199 349272910 /nfs/dbraw/zinc/27/29/10/349272910.db2.gz XMWRJAAIBQMUNV-JTQLQIEISA-N 1 0 246.314 0.562 20 30 BCEDRO C[N@H+](CCOCCC#N)[C@H]1CCC[C@H]1O ZINC000339187029 490256241 /nfs/dbraw/zinc/25/62/41/490256241.db2.gz BSVNURKVWXVVIW-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@H]([NH3+])CC(F)F ZINC000309046328 349402414 /nfs/dbraw/zinc/40/24/14/349402414.db2.gz NJSXDMLKUFUMTN-NKWVEPMBSA-N 1 0 219.235 0.729 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CC[C@H](O)C(F)F)CC1 ZINC000601967450 349404539 /nfs/dbraw/zinc/40/45/39/349404539.db2.gz JKSHKINBQYEFPR-BDAKNGLRSA-N 1 0 248.273 0.647 20 30 BCEDRO C[C@@](O)(C[C@H](O)C[NH2+]CCCC#N)C1CC1 ZINC000601967721 349404860 /nfs/dbraw/zinc/40/48/60/349404860.db2.gz XKUBRSXVTXPJKB-NWDGAFQWSA-N 1 0 226.320 0.792 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000083053608 349429301 /nfs/dbraw/zinc/42/93/01/349429301.db2.gz WMFVUIBSOMOLMX-SNVBAGLBSA-N 1 0 229.349 0.335 20 30 BCEDRO C[C@H](O)CC[N@H+](C)CCC(=O)N(C)CCC#N ZINC000131711436 191015762 /nfs/dbraw/zinc/01/57/62/191015762.db2.gz RASNHTPJTFQFFD-NSHDSACASA-N 1 0 241.335 0.451 20 30 BCEDRO CC[C@@H](CC#N)NCC(=O)N1CCOCC1 ZINC000303565581 350123159 /nfs/dbraw/zinc/12/31/59/350123159.db2.gz GKQIADMOJZNWSV-JTQLQIEISA-N 1 0 225.292 0.127 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636987973 350129565 /nfs/dbraw/zinc/12/95/65/350129565.db2.gz FGLQKSIENDLPFH-MNOVXSKESA-N 1 0 241.335 0.365 20 30 BCEDRO CC[C@@H](CC#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000132069937 191023788 /nfs/dbraw/zinc/02/37/88/191023788.db2.gz TWBMOPMBPVIAPR-UWVGGRQHSA-N 1 0 209.293 0.889 20 30 BCEDRO C=C(C)C[NH+]1CCC(NC(=O)C(C)(C)O)CC1 ZINC000427450007 191074557 /nfs/dbraw/zinc/07/45/57/191074557.db2.gz JQPXPWOGFSOFNE-UHFFFAOYSA-N 1 0 240.347 0.914 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000155075881 191080340 /nfs/dbraw/zinc/08/03/40/191080340.db2.gz IOMQRDDKTKFLLM-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C[NH2+]C1CCN(c2ccnc(C#N)n2)CC1 ZINC000309253063 350243756 /nfs/dbraw/zinc/24/37/56/350243756.db2.gz FPSPUVQQCPXEOX-UHFFFAOYSA-N 1 0 217.276 0.536 20 30 BCEDRO CCNC(=O)NC(=O)CN(CC)C[C@@H](C)C#N ZINC000049982239 350273612 /nfs/dbraw/zinc/27/36/12/350273612.db2.gz DYPXVUGKFRTVJY-VIFPVBQESA-N 1 0 240.307 0.314 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1cnc(N(C)C)n1C ZINC000262526916 535124396 /nfs/dbraw/zinc/12/43/96/535124396.db2.gz LKAZDHJMLUQXFR-UHFFFAOYSA-N 1 0 238.339 0.299 20 30 BCEDRO C=CCN(C)CC1(CS(C)(=O)=O)CC1 ZINC000336668476 350424076 /nfs/dbraw/zinc/42/40/76/350424076.db2.gz AIDVFLIEOLTOPC-UHFFFAOYSA-N 1 0 217.334 0.929 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](O)Cn1cccn1 ZINC000336666488 350428185 /nfs/dbraw/zinc/42/81/85/350428185.db2.gz DLETUZNCPOXUMP-NSHDSACASA-N 1 0 209.293 0.752 20 30 BCEDRO CC#CCC[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000336704150 350454579 /nfs/dbraw/zinc/45/45/79/350454579.db2.gz NLCNAZFKCIJGBW-UHFFFAOYSA-N 1 0 246.358 0.951 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](O)CN(C)C1CC1 ZINC000336719240 350469025 /nfs/dbraw/zinc/46/90/25/350469025.db2.gz ZBHBLOHJSNWJHL-GFCCVEGCSA-N 1 0 212.337 0.949 20 30 BCEDRO CC[NH2+]CCCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000577500844 365970165 /nfs/dbraw/zinc/97/01/65/365970165.db2.gz QMEDVPXLHOPJGN-WDEREUQCSA-N 1 0 238.335 0.977 20 30 BCEDRO C=CCCCCCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000577510197 365974183 /nfs/dbraw/zinc/97/41/83/365974183.db2.gz KXFZGXBIUCNVLW-SNVBAGLBSA-N 1 0 241.335 0.312 20 30 BCEDRO COCC[N@H+](CCO)CCCCC#N ZINC000122649010 350594347 /nfs/dbraw/zinc/59/43/47/350594347.db2.gz GVCVHQCBAQFCHQ-UHFFFAOYSA-N 1 0 200.282 0.621 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC[C@H](C#N)CCC#N ZINC000572870955 323410166 /nfs/dbraw/zinc/41/01/66/323410166.db2.gz OLPUWENLCAFMSX-QWRGUYRKSA-N 1 0 208.309 0.970 20 30 BCEDRO C=CCN(CC=C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000085618988 166329212 /nfs/dbraw/zinc/32/92/12/166329212.db2.gz ZKZGJDDZBHVHAK-NSHDSACASA-N 1 0 224.304 0.566 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617342940 350772594 /nfs/dbraw/zinc/77/25/94/350772594.db2.gz ITSYMXDYOZECIG-UWVGGRQHSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CCOc1cccnc1C(=O)NCC[NH2+]CC ZINC000422790896 192470443 /nfs/dbraw/zinc/47/04/43/192470443.db2.gz UQKJZIJEWNKHPJ-UHFFFAOYSA-N 1 0 249.314 0.986 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C2CC2)CC1 ZINC000051877640 350865199 /nfs/dbraw/zinc/86/51/99/350865199.db2.gz VTFOBQHMZMKJQN-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO CC[NH+](CC)CC(=O)N[C@@H](C#N)C1CC1 ZINC000343078897 350900366 /nfs/dbraw/zinc/90/03/66/350900366.db2.gz GKAMSWMTUXUKBB-JTQLQIEISA-N 1 0 209.293 0.747 20 30 BCEDRO C[NH2+][C@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000128940698 350903992 /nfs/dbraw/zinc/90/39/92/350903992.db2.gz VCNCDSLAJMNIGE-LBPRGKRZSA-N 1 0 229.283 0.992 20 30 BCEDRO CC[C@H](C(N)=O)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397659508 350958847 /nfs/dbraw/zinc/95/88/47/350958847.db2.gz FANXLZCLQZFUET-NXEZZACHSA-N 1 0 209.293 0.876 20 30 BCEDRO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397659509 350958900 /nfs/dbraw/zinc/95/89/00/350958900.db2.gz FANXLZCLQZFUET-UWVGGRQHSA-N 1 0 209.293 0.876 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](CC#N)C1 ZINC000397714803 350965245 /nfs/dbraw/zinc/96/52/45/350965245.db2.gz QHAKMNGCHIGZBF-CHWSQXEVSA-N 1 0 239.363 0.925 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000397714821 350965383 /nfs/dbraw/zinc/96/53/83/350965383.db2.gz QHAKMNGCHIGZBF-STQMWFEESA-N 1 0 239.363 0.925 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)[C@@H]2CCOC2)C1 ZINC000336690412 350979380 /nfs/dbraw/zinc/97/93/80/350979380.db2.gz WEMQHEDLQACDJT-WYUUTHIRSA-N 1 0 224.304 0.666 20 30 BCEDRO N#CCSCCC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000336685943 350949765 /nfs/dbraw/zinc/94/97/65/350949765.db2.gz IPMNCHXAJVVAGP-GHMZBOCLSA-N 1 0 244.360 0.763 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC000397635071 350955178 /nfs/dbraw/zinc/95/51/78/350955178.db2.gz VXQJIQZFLXYNNH-NSHDSACASA-N 1 0 212.293 0.621 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[NH+](CC)CC1 ZINC000052635034 351063095 /nfs/dbraw/zinc/06/30/95/351063095.db2.gz MORQKNSMOLPNIX-LLVKDONJSA-N 1 0 225.336 0.315 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N(CC#N)C1CC1 ZINC000070944370 351125910 /nfs/dbraw/zinc/12/59/10/351125910.db2.gz HKEYDKINQCDORK-UHFFFAOYSA-N 1 0 209.293 0.841 20 30 BCEDRO N#Cc1cccc(NC(=O)COCC[NH3+])c1 ZINC000086434204 351119356 /nfs/dbraw/zinc/11/93/56/351119356.db2.gz DZBAFYWJVWNAQH-UHFFFAOYSA-N 1 0 219.244 0.472 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000336722505 351168732 /nfs/dbraw/zinc/16/87/32/351168732.db2.gz FDZYDEHGVDWNSF-GMTAPVOTSA-N 1 0 210.277 0.420 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[NH2+]C(C)(C)C2)n1 ZINC000231924111 351466881 /nfs/dbraw/zinc/46/68/81/351466881.db2.gz HSOSEBCMYRRHFP-UHFFFAOYSA-N 1 0 231.303 0.845 20 30 BCEDRO C=CCOCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000623870486 351468831 /nfs/dbraw/zinc/46/88/31/351468831.db2.gz BNPCWAQIGHHOGE-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO CNC(NC[C@@H](O)CCc1ccccc1)=[NH+]C ZINC000273340655 351519267 /nfs/dbraw/zinc/51/92/67/351519267.db2.gz MWVYJBATEQSWKD-LBPRGKRZSA-N 1 0 235.331 0.775 20 30 BCEDRO C[C@H]1C[C@@]1(C#N)C(=O)N(C)CCC[NH+](C)C ZINC000577697104 366038402 /nfs/dbraw/zinc/03/84/02/366038402.db2.gz GPYIAGRMXDSXHN-JQWIXIFHSA-N 1 0 223.320 0.946 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000637869260 351729476 /nfs/dbraw/zinc/72/94/76/351729476.db2.gz KCOBHIJIBIGSDY-GFCCVEGCSA-N 1 0 224.304 0.566 20 30 BCEDRO C=C1CC[NH+](CCCNS(=O)(=O)CC)CC1 ZINC000337960758 191140880 /nfs/dbraw/zinc/14/08/80/191140880.db2.gz YXSWHJVKQPHRSN-UHFFFAOYSA-N 1 0 246.376 0.968 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCN1CC=CCC1 ZINC000279936038 351829843 /nfs/dbraw/zinc/82/98/43/351829843.db2.gz GOLOUDWROZPUDH-LLVKDONJSA-N 1 0 224.352 0.951 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638003758 351882735 /nfs/dbraw/zinc/88/27/35/351882735.db2.gz SMZRCSRTBWDARO-JQWIXIFHSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCOC2)C1=O ZINC000282084282 351922369 /nfs/dbraw/zinc/92/23/69/351922369.db2.gz UTKRYWXVHAHKJH-GHMZBOCLSA-N 1 0 224.304 0.494 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)N1CC(C)(C#N)C1 ZINC000281789813 351910037 /nfs/dbraw/zinc/91/00/37/351910037.db2.gz LZLXJPSTOWOPMZ-SNAWJCMRSA-N 1 0 207.277 0.476 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000285637338 352054097 /nfs/dbraw/zinc/05/40/97/352054097.db2.gz ANVQWBFKDDHGBH-GMTAPVOTSA-N 1 0 226.320 0.522 20 30 BCEDRO CN1CCN/C1=[NH+]\Cc1cn2ccsc2n1 ZINC000285075610 352020096 /nfs/dbraw/zinc/02/00/96/352020096.db2.gz MYHNQHNUYWENRR-UHFFFAOYSA-N 1 0 235.316 0.787 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000273146395 187575913 /nfs/dbraw/zinc/57/59/13/187575913.db2.gz GLNHGLFQBRJDPW-GHMZBOCLSA-N 1 0 224.304 0.283 20 30 BCEDRO CCCCCCNC(=[NH2+])NCc1cnnn1C ZINC000287294544 352121042 /nfs/dbraw/zinc/12/10/42/352121042.db2.gz SNLABZIYBVTTST-UHFFFAOYSA-N 1 0 238.339 0.800 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1OC(F)F ZINC000348520554 133887126 /nfs/dbraw/zinc/88/71/26/133887126.db2.gz KNQFVXHBAYNUJP-SFYZADRCSA-N 1 0 247.245 0.376 20 30 BCEDRO CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1F ZINC000035149848 187594439 /nfs/dbraw/zinc/59/44/39/187594439.db2.gz MNBYTOKTWVJHIG-UHFFFAOYSA-N 1 0 235.262 0.923 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627012229 363114444 /nfs/dbraw/zinc/11/44/44/363114444.db2.gz VNTOQBDIRNHHCY-MNOVXSKESA-N 1 0 241.335 0.629 20 30 BCEDRO CC#CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627016591 363115206 /nfs/dbraw/zinc/11/52/06/363115206.db2.gz NVSXVHRESFIQJE-UHFFFAOYSA-N 1 0 239.319 0.207 20 30 BCEDRO CNC(=[NH2+])NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000290676940 352235749 /nfs/dbraw/zinc/23/57/49/352235749.db2.gz PPSRPKCZMVGOMR-DGCLKSJQSA-N 1 0 233.315 0.687 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000613365290 363136582 /nfs/dbraw/zinc/13/65/82/363136582.db2.gz VTLJJKSQCOVYBM-SNVBAGLBSA-N 1 0 249.314 0.833 20 30 BCEDRO CNC(NC[C@]1(CO)C[C@@H]1c1ccccc1)=[NH+]C ZINC000290714959 352236867 /nfs/dbraw/zinc/23/68/67/352236867.db2.gz UKLFOJQSMQIEBG-OCCSQVGLSA-N 1 0 247.342 0.947 20 30 BCEDRO C=CCCCNC(=O)NCCOCC[NH2+]C ZINC000627023391 363118921 /nfs/dbraw/zinc/11/89/21/363118921.db2.gz SDTXVFRCSNJOIH-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000613374754 363150654 /nfs/dbraw/zinc/15/06/54/363150654.db2.gz IENYDHWZQASFAD-ONGXEEELSA-N 1 0 224.304 0.300 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000182305531 259424452 /nfs/dbraw/zinc/42/44/52/259424452.db2.gz IEUSLFZSFQMFNA-SDDRHHMPSA-N 1 0 238.331 0.672 20 30 BCEDRO C=C(CC)CNC(=O)NCCOCCC[NH3+] ZINC000627056099 363173342 /nfs/dbraw/zinc/17/33/42/363173342.db2.gz PTCZAEWHUYGLPA-UHFFFAOYSA-N 1 0 229.324 0.617 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)C[C@H](C[NH3+])OC)C1 ZINC000638471631 352280303 /nfs/dbraw/zinc/28/03/03/352280303.db2.gz KCDIULJNNQYSPK-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)C[NH2+]CCOC)C1 ZINC000638471674 352280556 /nfs/dbraw/zinc/28/05/56/352280556.db2.gz KOSCZPTYDOIVOH-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000638471510 352282514 /nfs/dbraw/zinc/28/25/14/352282514.db2.gz FYAVGVPJYVJHRD-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638474508 352284480 /nfs/dbraw/zinc/28/44/80/352284480.db2.gz NOUSTCADOSAEME-JTQLQIEISA-N 1 0 246.314 0.974 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)C(C)(C)C#N)C1 ZINC000044363493 352290824 /nfs/dbraw/zinc/29/08/24/352290824.db2.gz QGVHXYPMKUBBGP-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC#CC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000292973433 352334920 /nfs/dbraw/zinc/33/49/20/352334920.db2.gz ATMTXQGEDCGOAY-UHFFFAOYSA-N 1 0 249.270 0.712 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638569770 352396269 /nfs/dbraw/zinc/39/62/69/352396269.db2.gz MGLZKLXDIKXIPY-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCN(C)CC[N@@H+](CC)CCC(=O)NC ZINC000411635291 191199321 /nfs/dbraw/zinc/19/93/21/191199321.db2.gz BMKZNRHNRDZHBU-UHFFFAOYSA-N 1 0 227.352 0.562 20 30 BCEDRO C=CCN(C)CC[N@@H+](CC)C[C@@H]1COCCO1 ZINC000411652205 191200742 /nfs/dbraw/zinc/20/07/42/191200742.db2.gz WRIQBRNLTSTYCO-CYBMUJFWSA-N 1 0 242.363 0.842 20 30 BCEDRO C=CCN(C)CC[N@@H+](CC)C[C@H](O)COC ZINC000411646603 191202179 /nfs/dbraw/zinc/20/21/79/191202179.db2.gz VTCIMVSARJMJAW-LBPRGKRZSA-N 1 0 230.352 0.433 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000167147407 187712759 /nfs/dbraw/zinc/71/27/59/187712759.db2.gz UZPWDNIWVWZGGX-GHMZBOCLSA-N 1 0 224.304 0.141 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638613331 352452686 /nfs/dbraw/zinc/45/26/86/352452686.db2.gz IBDRWQVTAXDTRZ-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCOCCCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638619720 352459103 /nfs/dbraw/zinc/45/91/03/352459103.db2.gz MYGDPSXCJHOSPD-LLVKDONJSA-N 1 0 242.319 0.074 20 30 BCEDRO C=C(CC)C[N@@H+]1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000411912068 191229293 /nfs/dbraw/zinc/22/92/93/191229293.db2.gz HXGHTFZTCVCUJN-GFCCVEGCSA-N 1 0 240.347 0.989 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411961168 191234140 /nfs/dbraw/zinc/23/41/40/191234140.db2.gz XNIQIDXAYWLNPR-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C[N@H+]1C[C@H]2CN(C(=O)C3(C#N)CCC3)C[C@H]2C1 ZINC000334215688 352815195 /nfs/dbraw/zinc/81/51/95/352815195.db2.gz UMQJYAWUXBLFEA-PHIMTYICSA-N 1 0 233.315 0.700 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000412102060 191261700 /nfs/dbraw/zinc/26/17/00/191261700.db2.gz ZDZRXEJMYQWKEC-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO CNC(=O)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336748817 352979931 /nfs/dbraw/zinc/97/99/31/352979931.db2.gz CYPPZNRGNMQQBI-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CC1(F)F ZINC000638846844 353026955 /nfs/dbraw/zinc/02/69/55/353026955.db2.gz HSRYTXLVHMSGBI-SFYZADRCSA-N 1 0 218.247 0.922 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H](C#N)C(C)(C)C)C1 ZINC000334356007 352996637 /nfs/dbraw/zinc/99/66/37/352996637.db2.gz LZUMVGXDBMWKFQ-UWVGGRQHSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CCOCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638922782 353089801 /nfs/dbraw/zinc/08/98/01/353089801.db2.gz KVOLDRGFMDYOIX-AOOOYVTPSA-N 1 0 210.277 0.152 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H](O)CC ZINC000078724654 166366403 /nfs/dbraw/zinc/36/64/03/166366403.db2.gz SIELPKLXGVISSZ-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO CC(C)N(C)CC(=O)n1ncc(C#N)c1N ZINC000299458186 188041358 /nfs/dbraw/zinc/04/13/58/188041358.db2.gz QAAVDWQEYOQDST-UHFFFAOYSA-N 1 0 221.264 0.317 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@H]1COCCN1C ZINC000623746991 353157157 /nfs/dbraw/zinc/15/71/57/353157157.db2.gz PCHGTLQIPRXAPX-UWVGGRQHSA-N 1 0 227.308 0.191 20 30 BCEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000336760037 353170305 /nfs/dbraw/zinc/17/03/05/353170305.db2.gz JKFCAPITDNPAAV-UWVGGRQHSA-N 1 0 225.292 0.173 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000336760252 353171570 /nfs/dbraw/zinc/17/15/70/353171570.db2.gz MCJQESIHSLUBKM-GRYCIOLGSA-N 1 0 212.337 0.711 20 30 BCEDRO C=CCOCC[NH2+]CC(C)(C)N1CCOCC1 ZINC000638970214 353176429 /nfs/dbraw/zinc/17/64/29/353176429.db2.gz PHGJGSNKIKPGDX-UHFFFAOYSA-N 1 0 242.363 0.889 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H]1CN(CC)C[C@@H]1C ZINC000336758399 353166822 /nfs/dbraw/zinc/16/68/22/353166822.db2.gz JTVGCCQOHBQTHD-QJPTWQEYSA-N 1 0 212.337 0.853 20 30 BCEDRO CC(C)[C@H](O)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000330848704 353193808 /nfs/dbraw/zinc/19/38/08/353193808.db2.gz DAGMGKLMTALWHH-WDEREUQCSA-N 1 0 243.351 0.601 20 30 BCEDRO Cc1noc(CNC(=O)N(C)CC[NH+](C)C)n1 ZINC000331066093 353215198 /nfs/dbraw/zinc/21/51/98/353215198.db2.gz PYLQBAGAVSTPKX-UHFFFAOYSA-N 1 0 241.295 0.285 20 30 BCEDRO C[C@H](CCO)CNC(=O)NC1CC[NH+](C)CC1 ZINC000330934392 353201480 /nfs/dbraw/zinc/20/14/80/353201480.db2.gz IJYQRVIRSJTLRK-SNVBAGLBSA-N 1 0 243.351 0.603 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330939229 353202558 /nfs/dbraw/zinc/20/25/58/353202558.db2.gz CTQZMSOPCNZTCE-MNOVXSKESA-N 1 0 241.335 0.521 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000330951084 353203268 /nfs/dbraw/zinc/20/32/68/353203268.db2.gz PLEFJGORIZGZDB-JTQLQIEISA-N 1 0 237.307 0.091 20 30 BCEDRO CCOCC[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330955524 353203789 /nfs/dbraw/zinc/20/37/89/353203789.db2.gz UBVYOCGDUPMHHJ-VIFPVBQESA-N 1 0 215.297 0.231 20 30 BCEDRO C=C[C@@H](C)NC(=O)NCCCN1CCOCC1 ZINC000330933525 353207367 /nfs/dbraw/zinc/20/73/67/353207367.db2.gz DKAFIBDWEMOSBR-LLVKDONJSA-N 1 0 241.335 0.787 20 30 BCEDRO C=CC[N@@H+](C)CCCNS(=O)(=O)CC ZINC000121291284 324008532 /nfs/dbraw/zinc/00/85/32/324008532.db2.gz MPXIXZZVUWWJAE-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO CCC[C@]1(CO)CCC[N@@H+]1CC(=O)NCC#N ZINC000331282465 353234160 /nfs/dbraw/zinc/23/41/60/353234160.db2.gz DCPWRVIRXPSBJO-GFCCVEGCSA-N 1 0 239.319 0.253 20 30 BCEDRO CC[N@H+](CCCCC#N)[C@@H]1CCNC1=O ZINC000331280595 353234321 /nfs/dbraw/zinc/23/43/21/353234321.db2.gz FJJDTIKAXKBZKC-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](NC(=O)N(C)CCCO)C1 ZINC000331260555 353238583 /nfs/dbraw/zinc/23/85/83/353238583.db2.gz BAZCSYKOUDSQND-LLVKDONJSA-N 1 0 243.351 0.699 20 30 BCEDRO CC[C@@H](CO)NC(=O)NC1CC[NH+](CC)CC1 ZINC000331240036 353236264 /nfs/dbraw/zinc/23/62/64/353236264.db2.gz WKNXVMZMWHETPZ-JTQLQIEISA-N 1 0 243.351 0.745 20 30 BCEDRO Cc1nnccc1NC(=O)N(C)CC[NH+](C)C ZINC000331155593 353223669 /nfs/dbraw/zinc/22/36/69/353223669.db2.gz JFLBMHWOAOTSTL-UHFFFAOYSA-N 1 0 237.307 0.824 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000331163003 353224189 /nfs/dbraw/zinc/22/41/89/353224189.db2.gz GQGKOHYHYMADHQ-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO CCC[N@@H+]1CCC[C@H]1C(=O)NCCC#N ZINC000331221097 353231408 /nfs/dbraw/zinc/23/14/08/353231408.db2.gz YLACLUAZQHYAEB-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C[NH+](C)[C@@H]1CCN(C(=O)NCc2cccnn2)C1 ZINC000331344414 353245111 /nfs/dbraw/zinc/24/51/11/353245111.db2.gz ZVZGYCHVGVYCLZ-LLVKDONJSA-N 1 0 249.318 0.527 20 30 BCEDRO C=CCOCC(=O)NC1(C[NH3+])CCCCC1 ZINC000639001402 353249655 /nfs/dbraw/zinc/24/96/55/353249655.db2.gz LESILUIXCZADQB-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO C#CCCN1CCN([C@@H](C)C(=O)NCC=C)CC1 ZINC000127282595 353265403 /nfs/dbraw/zinc/26/54/03/353265403.db2.gz AWSRBWCQWPCXNU-ZDUSSCGKSA-N 1 0 249.358 0.318 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(C)[C@H]1CC[NH2+]C1 ZINC000071311402 353266219 /nfs/dbraw/zinc/26/62/19/353266219.db2.gz UVAUXQBRJKPLPY-LBPRGKRZSA-N 1 0 237.347 0.481 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000128173272 353287038 /nfs/dbraw/zinc/28/70/38/353287038.db2.gz XULMXPQXOQZOMC-GHMZBOCLSA-N 1 0 244.335 0.136 20 30 BCEDRO CC(=O)N1CC[C@H]([NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000359772089 188241304 /nfs/dbraw/zinc/24/13/04/188241304.db2.gz WCMXWOBFIAEXEH-LBPRGKRZSA-N 1 0 246.314 0.607 20 30 BCEDRO C#CC[NH+](CC#C)CCC(=O)Nc1cc(C)on1 ZINC000174525570 188251340 /nfs/dbraw/zinc/25/13/40/188251340.db2.gz WYNVDHOYBISJBN-UHFFFAOYSA-N 1 0 245.282 0.880 20 30 BCEDRO CC#CCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000172747225 188251505 /nfs/dbraw/zinc/25/15/05/188251505.db2.gz UOVRJDFDBBFPSS-LLVKDONJSA-N 1 0 206.289 0.753 20 30 BCEDRO C=C(C)CN1CCO[C@H](CNC(C)=O)C1 ZINC000172190436 188251988 /nfs/dbraw/zinc/25/19/88/188251988.db2.gz WFZWXJHRGOCBBA-LLVKDONJSA-N 1 0 212.293 0.399 20 30 BCEDRO C=C(C)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000271405535 188263080 /nfs/dbraw/zinc/26/30/80/188263080.db2.gz OMMZXYQNOTYINF-UHFFFAOYSA-N 1 0 213.277 0.562 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CC(=O)NC ZINC000273467364 188263965 /nfs/dbraw/zinc/26/39/65/188263965.db2.gz RIUNZXBSXJGELD-BDAKNGLRSA-N 1 0 200.282 0.038 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000273495829 188264002 /nfs/dbraw/zinc/26/40/02/188264002.db2.gz OGWVVMDWXFOXPX-SNVBAGLBSA-N 1 0 238.287 0.828 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000273417603 188264058 /nfs/dbraw/zinc/26/40/58/188264058.db2.gz UVCPREIRHSFGQJ-ZJUUUORDSA-N 1 0 234.303 0.209 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000273474320 188264144 /nfs/dbraw/zinc/26/41/44/188264144.db2.gz JVXJHVMUWPSIPI-GFCCVEGCSA-N 1 0 234.299 0.812 20 30 BCEDRO CC#CC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000277568229 188267166 /nfs/dbraw/zinc/26/71/66/188267166.db2.gz XUMIBQPUQPXYCB-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)Cc1cnccn1 ZINC000639046834 353337654 /nfs/dbraw/zinc/33/76/54/353337654.db2.gz XVYXXHQASYMVQA-GHMZBOCLSA-N 1 0 221.304 0.934 20 30 BCEDRO C=CCNC(=O)[C@]1([NH3+])C[C@@H](OCC)C1(C)C ZINC000162522136 353327007 /nfs/dbraw/zinc/32/70/07/353327007.db2.gz VVRRKZVHLNNRQI-BXKDBHETSA-N 1 0 226.320 0.821 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639044405 353328884 /nfs/dbraw/zinc/32/88/84/353328884.db2.gz LWMBRCGPBUZBLR-SDDRHHMPSA-N 1 0 240.347 0.960 20 30 BCEDRO C=CCn1c(SCC[NH+](C)C)n[nH]c1=O ZINC000163549812 353355202 /nfs/dbraw/zinc/35/52/02/353355202.db2.gz SOJFCNUFKGCJKY-UHFFFAOYSA-N 1 0 228.321 0.411 20 30 BCEDRO C=CCCC[N@@H+](C)CC(=O)NC(=O)NC ZINC000076735637 353341012 /nfs/dbraw/zinc/34/10/12/353341012.db2.gz VQVMSENSQFWOCL-UHFFFAOYSA-N 1 0 213.281 0.340 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)CC1CC1 ZINC000157927403 188331316 /nfs/dbraw/zinc/33/13/16/188331316.db2.gz FVHIOEWJJFLJPM-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@@H]2CCSC2)n1 ZINC000336721398 188344077 /nfs/dbraw/zinc/34/40/77/188344077.db2.gz DJSYRBLTGIUUES-MRVPVSSYSA-N 1 0 223.305 0.245 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2c[nH]cn2)CC1 ZINC000280194658 353418605 /nfs/dbraw/zinc/41/86/05/353418605.db2.gz IJFXLFNBUZORPL-UHFFFAOYSA-N 1 0 218.304 0.551 20 30 BCEDRO N#CCC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000071128781 188362695 /nfs/dbraw/zinc/36/26/95/188362695.db2.gz MJTNYWWYTZRBBY-NSHDSACASA-N 1 0 221.304 0.987 20 30 BCEDRO N#Cc1cncnc1NCCC[NH2+]C1CC1 ZINC000304503534 363223427 /nfs/dbraw/zinc/22/34/27/363223427.db2.gz WGKWPYXAFDDCFR-UHFFFAOYSA-N 1 0 217.276 0.902 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)CCCO)C1=O ZINC000281399381 353446062 /nfs/dbraw/zinc/44/60/62/353446062.db2.gz QKVDONGXUCUGAP-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO C#CCC[N@@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000281435016 353447371 /nfs/dbraw/zinc/44/73/71/353447371.db2.gz SUUKDIXFXZQQOZ-LLVKDONJSA-N 1 0 206.289 0.728 20 30 BCEDRO C=CCNC(=O)C[NH2+]CC[C@H]1CCOC1 ZINC000336774861 353434926 /nfs/dbraw/zinc/43/49/26/353434926.db2.gz ZYPRKHJQVMAQSN-JTQLQIEISA-N 1 0 212.293 0.305 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](C)OC)C1=O ZINC000281199722 353438255 /nfs/dbraw/zinc/43/82/55/353438255.db2.gz CHROFIJWXCVFCP-MNOVXSKESA-N 1 0 226.320 0.740 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)CCCCO)C1=O ZINC000281210762 353438652 /nfs/dbraw/zinc/43/86/52/353438652.db2.gz DCPWSAUHIILOQM-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO CC#CC(=O)N1CCC[N@@H+](CCOC)CC1 ZINC000283056175 353490421 /nfs/dbraw/zinc/49/04/21/353490421.db2.gz CTIDXIBVYBSFTN-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO CC#CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000283164077 353492092 /nfs/dbraw/zinc/49/20/92/353492092.db2.gz KFXMGSCSJQZHLC-GXSJLCMTSA-N 1 0 206.289 0.609 20 30 BCEDRO CC#CC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000283234171 353493743 /nfs/dbraw/zinc/49/37/43/353493743.db2.gz PACXYPWXMKUHEA-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](OC)C2)C1=O ZINC000282090714 353462774 /nfs/dbraw/zinc/46/27/74/353462774.db2.gz VEMBTZMUVGVJPA-WDEREUQCSA-N 1 0 224.304 0.494 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)CCOCC)C1=O ZINC000282130672 353463612 /nfs/dbraw/zinc/46/36/12/353463612.db2.gz YSXCMOZLSJNCNI-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO CC#CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000283077495 353493945 /nfs/dbraw/zinc/49/39/45/353493945.db2.gz DMGLGFPLUKEVED-NSHDSACASA-N 1 0 226.345 0.563 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000282320555 353474300 /nfs/dbraw/zinc/47/43/00/353474300.db2.gz LAHAJQXCGHNHEI-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CCC[NH+]1CCN(CCc2ccnn2C)CC1 ZINC000284256762 353510039 /nfs/dbraw/zinc/51/00/39/353510039.db2.gz DARDRIUCDNAOCF-UHFFFAOYSA-N 1 0 246.358 0.604 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000285637342 353537570 /nfs/dbraw/zinc/53/75/70/353537570.db2.gz ANVQWBFKDDHGBH-HBNTYKKESA-N 1 0 226.320 0.522 20 30 BCEDRO C#CC[N@H+](C)CCC(=O)Nc1cc(C)on1 ZINC000192224922 353538291 /nfs/dbraw/zinc/53/82/91/353538291.db2.gz TYPUKDQBRSRBOK-UHFFFAOYSA-N 1 0 221.260 0.877 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)OC ZINC000285492827 353543991 /nfs/dbraw/zinc/54/39/91/353543991.db2.gz CIZILUHHDICANN-NXEZZACHSA-N 1 0 214.309 0.644 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)OC ZINC000285492835 353544168 /nfs/dbraw/zinc/54/41/68/353544168.db2.gz CIZILUHHDICANN-ZJUUUORDSA-N 1 0 214.309 0.644 20 30 BCEDRO CC#CC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000283785833 353504754 /nfs/dbraw/zinc/50/47/54/353504754.db2.gz OIIOTTZXHWSITJ-SNVBAGLBSA-N 1 0 206.289 0.776 20 30 BCEDRO C#CCC(CC#C)C(=O)NC[C@H](C)[NH+](C)C ZINC000287443850 353583228 /nfs/dbraw/zinc/58/32/28/353583228.db2.gz WLKJRQMJAKJCIH-NSHDSACASA-N 1 0 220.316 0.716 20 30 BCEDRO C#CCC(CC#C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000287443847 353583266 /nfs/dbraw/zinc/58/32/66/353583266.db2.gz WLKJRQMJAKJCIH-LLVKDONJSA-N 1 0 220.316 0.716 20 30 BCEDRO C=CCNC(=O)CN1CCCC[C@H]1[C@H](C)[NH3+] ZINC000063195882 353589794 /nfs/dbraw/zinc/58/97/94/353589794.db2.gz XLGGKKBFDSIDDV-QWRGUYRKSA-N 1 0 225.336 0.490 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)CCC(=O)NCC(=O)OC ZINC000286093103 353557016 /nfs/dbraw/zinc/55/70/16/353557016.db2.gz KSJJIJFUGSIQKP-UHFFFAOYSA-N 1 0 240.303 0.009 20 30 BCEDRO C=CCC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192636350 353564941 /nfs/dbraw/zinc/56/49/41/353564941.db2.gz PTSUXTJOBIUWEU-LLVKDONJSA-N 1 0 223.276 0.237 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000289906410 353643312 /nfs/dbraw/zinc/64/33/12/353643312.db2.gz RLGJEBHWTYDEGT-LBPRGKRZSA-N 1 0 234.299 0.683 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1 ZINC000289954814 353644046 /nfs/dbraw/zinc/64/40/46/353644046.db2.gz AZVTWMNFBVCOIM-CQSZACIVSA-N 1 0 231.295 0.909 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000289975035 353644536 /nfs/dbraw/zinc/64/45/36/353644536.db2.gz WKFRALJOQOHIOO-SECBINFHSA-N 1 0 237.255 0.757 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)NC[C@@H](C)[NH3+])C1 ZINC000627088471 363241247 /nfs/dbraw/zinc/24/12/47/363241247.db2.gz IGHNSHHUBRWCNE-NXEZZACHSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000290413603 353662703 /nfs/dbraw/zinc/66/27/03/353662703.db2.gz AAFYNHWVEDQCJZ-OPRDCNLKSA-N 1 0 214.309 0.690 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000290449626 353664350 /nfs/dbraw/zinc/66/43/50/353664350.db2.gz BRSRFLDMHPPUMP-NXEZZACHSA-N 1 0 214.309 0.236 20 30 BCEDRO C=CCCOCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000231820853 353664855 /nfs/dbraw/zinc/66/48/55/353664855.db2.gz FEXXDULBXDOGAL-LBPRGKRZSA-N 1 0 239.319 0.426 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000290686049 353667982 /nfs/dbraw/zinc/66/79/82/353667982.db2.gz ULFUNPLZMGQSFY-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1c[nH]c2nccnc12 ZINC000290911543 353675594 /nfs/dbraw/zinc/67/55/94/353675594.db2.gz PJYMGBUGCJXXBE-UHFFFAOYSA-N 1 0 245.286 0.350 20 30 BCEDRO CCO[C@H]1C[C@H](NC(N)=[NH2+])C12CCOCC2 ZINC000184594033 353684067 /nfs/dbraw/zinc/68/40/67/353684067.db2.gz ISEDTBXIIJKYRA-IUCAKERBSA-N 1 0 227.308 0.234 20 30 BCEDRO CC(C)NC(=O)CNC(=[NH2+])N1CCC(C)CC1 ZINC000194685159 353685037 /nfs/dbraw/zinc/68/50/37/353685037.db2.gz WRWKQMVCABURJR-UHFFFAOYSA-N 1 0 240.351 0.558 20 30 BCEDRO C#CCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000291378570 353691904 /nfs/dbraw/zinc/69/19/04/353691904.db2.gz VVKOIRQPOXDJKR-JTQLQIEISA-N 1 0 209.293 0.355 20 30 BCEDRO C#C[C@@H](C)NC(=O)CC1CC[NH+](C)CC1 ZINC000291488891 353694235 /nfs/dbraw/zinc/69/42/35/353694235.db2.gz BAPJIUYMMXAPMP-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO CC[C@@H](C#N)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000165785420 353701156 /nfs/dbraw/zinc/70/11/56/353701156.db2.gz MXVHNSLCPWYMNU-VHSXEESVSA-N 1 0 241.360 0.842 20 30 BCEDRO C#CCC[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000291914718 353702068 /nfs/dbraw/zinc/70/20/68/353702068.db2.gz RZTYJHOYODMKAB-UHFFFAOYSA-N 1 0 224.304 0.742 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000292565768 353716245 /nfs/dbraw/zinc/71/62/45/353716245.db2.gz FOXKUHQCBMRMNA-WDEREUQCSA-N 1 0 228.336 0.770 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C[C@H]1CCOC1 ZINC000292911241 353728684 /nfs/dbraw/zinc/72/86/84/353728684.db2.gz XCVUGOXWFBESTD-LLVKDONJSA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)C[C@@H](C)OC ZINC000293531498 353752513 /nfs/dbraw/zinc/75/25/13/353752513.db2.gz JKMHNJKBCSSTDW-LLVKDONJSA-N 1 0 226.320 0.483 20 30 BCEDRO C=CCOCC[N@H+]1CCCC[C@H]1C(N)=O ZINC000293674745 353760484 /nfs/dbraw/zinc/76/04/84/353760484.db2.gz ZSDUVXOCIOQEFJ-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C=CCOCC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000293674746 353760683 /nfs/dbraw/zinc/76/06/83/353760683.db2.gz ZSDUVXOCIOQEFJ-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CCO)[C@@H](C)CC ZINC000293677978 353760877 /nfs/dbraw/zinc/76/08/77/353760877.db2.gz VFBRHJHYELKMMX-NSHDSACASA-N 1 0 226.320 0.219 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1nc(C)oc1C ZINC000293882612 353762753 /nfs/dbraw/zinc/76/27/53/353762753.db2.gz CVSJXFMSDTZZNT-UHFFFAOYSA-N 1 0 249.314 0.976 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC=C(C)CC1 ZINC000293910373 353763350 /nfs/dbraw/zinc/76/33/50/353763350.db2.gz WYRSWQHIBDQYSC-UHFFFAOYSA-N 1 0 206.289 0.778 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1CC(=O)C1 ZINC000293932425 353764000 /nfs/dbraw/zinc/76/40/00/353764000.db2.gz IBAMLZMHDSEVEE-UHFFFAOYSA-N 1 0 222.288 0.037 20 30 BCEDRO C#CCC(CC#C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000294198896 353771392 /nfs/dbraw/zinc/77/13/92/353771392.db2.gz NTZWADCKQXBVSL-LBPRGKRZSA-N 1 0 234.343 0.963 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCSCC[C@@H]1C ZINC000294450956 353779061 /nfs/dbraw/zinc/77/90/61/353779061.db2.gz FUJZVWAIHWDBEP-NSHDSACASA-N 1 0 240.372 0.953 20 30 BCEDRO CC#CC[N@H+](C)CCCOC(=O)NC(N)=O ZINC000293304571 353740810 /nfs/dbraw/zinc/74/08/10/353740810.db2.gz WQJLXFUBBVYFPJ-UHFFFAOYSA-N 1 0 227.264 0.137 20 30 BCEDRO CC#CCN(C)CC(=O)Nc1cc(C)no1 ZINC000293325220 353741289 /nfs/dbraw/zinc/74/12/89/353741289.db2.gz XRPWSQAAGCPXHG-UHFFFAOYSA-N 1 0 221.260 0.877 20 30 BCEDRO C=CCOCC[N@H+](CC(N)=O)C(C)C ZINC000293445327 353744749 /nfs/dbraw/zinc/74/47/49/353744749.db2.gz KHMATQNUKIQBBM-UHFFFAOYSA-N 1 0 200.282 0.385 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@H](C)C(C)(C)O ZINC000295108335 353801392 /nfs/dbraw/zinc/80/13/92/353801392.db2.gz HHLSEJKAELGXSA-SNVBAGLBSA-N 1 0 226.320 0.217 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccsn1 ZINC000295458849 353808001 /nfs/dbraw/zinc/80/80/01/353808001.db2.gz LRMJVKNHAXBMQD-UHFFFAOYSA-N 1 0 237.328 0.828 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NCC(C)C ZINC000296206607 353816486 /nfs/dbraw/zinc/81/64/86/353816486.db2.gz OTOSFLYVZGTCPO-UHFFFAOYSA-N 1 0 225.336 0.897 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000185961936 353861287 /nfs/dbraw/zinc/86/12/87/353861287.db2.gz COWMNRBTUGFJKK-VHSXEESVSA-N 1 0 209.293 0.402 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000170687932 166387585 /nfs/dbraw/zinc/38/75/85/166387585.db2.gz SVIQARWVTKJAOQ-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCOCCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000627115021 363281613 /nfs/dbraw/zinc/28/16/13/363281613.db2.gz NOQMXKLJLAMOTJ-SNVBAGLBSA-N 1 0 227.308 0.240 20 30 BCEDRO CC[N@H+](CCOC)[C@@H](C)C(=O)N(C)CCC#N ZINC000343642308 353952090 /nfs/dbraw/zinc/95/20/90/353952090.db2.gz DRDIGENJWBHSLD-NSHDSACASA-N 1 0 241.335 0.715 20 30 BCEDRO CC(C)N1CCO[C@@H](C(=O)N(C)CC#N)C1 ZINC000366838937 353960282 /nfs/dbraw/zinc/96/02/82/353960282.db2.gz ODDVZGFPFWPLHW-SNVBAGLBSA-N 1 0 225.292 0.078 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCCC#N ZINC000343824238 354015071 /nfs/dbraw/zinc/01/50/71/354015071.db2.gz AWDHYJJPRDAXOE-JTQLQIEISA-N 1 0 224.308 0.684 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)CC1(O)CCCC1 ZINC000301013674 363294093 /nfs/dbraw/zinc/29/40/93/363294093.db2.gz HHUSZJKNDMZBNW-SNVBAGLBSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000273319777 166388075 /nfs/dbraw/zinc/38/80/75/166388075.db2.gz QUHRMMQAEOLJRC-UWVGGRQHSA-N 1 0 236.319 0.761 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343927812 354044958 /nfs/dbraw/zinc/04/49/58/354044958.db2.gz JVKJDFRAOCFLMN-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO N#C[C@@H]1CCC[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333783540 181059667 /nfs/dbraw/zinc/05/96/67/181059667.db2.gz LHIDROILXMPPSG-GARJFASQSA-N 1 0 236.319 0.730 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@@H](CC)C1 ZINC000270957340 166388543 /nfs/dbraw/zinc/38/85/43/166388543.db2.gz ULASWJDKJMECLO-DCAQKATOSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCCCC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000449696540 202004562 /nfs/dbraw/zinc/00/45/62/202004562.db2.gz KSBXNPLTUAHLKY-NSHDSACASA-N 1 0 225.336 0.363 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H](C)CC(=O)N(C)C ZINC000449697942 202005636 /nfs/dbraw/zinc/00/56/36/202005636.db2.gz MIJYNRXFNVPVCT-GHMZBOCLSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627134157 363346246 /nfs/dbraw/zinc/34/62/46/363346246.db2.gz LQSLWSAFONSLHC-SECBINFHSA-N 1 0 209.293 0.756 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C[C@H](C[NH3+])OC ZINC000232125184 363363517 /nfs/dbraw/zinc/36/35/17/363363517.db2.gz OVPDRRXBAIDHAY-RKDXNWHRSA-N 1 0 200.282 0.431 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCOC(C)(C)C1 ZINC000393872559 354265091 /nfs/dbraw/zinc/26/50/91/354265091.db2.gz AMKHDFVXKNIRCE-JTQLQIEISA-N 1 0 226.320 0.836 20 30 BCEDRO C=CC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)C1CC1 ZINC000331876204 134002880 /nfs/dbraw/zinc/00/28/80/134002880.db2.gz KOINTEADZWOJQP-SECBINFHSA-N 1 0 237.303 0.577 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000613464370 363369123 /nfs/dbraw/zinc/36/91/23/363369123.db2.gz ALIUVIFZDKESPF-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)CO)c(F)c1 ZINC000083353113 181108526 /nfs/dbraw/zinc/10/85/26/181108526.db2.gz NSKNICKJEYFQRQ-SNVBAGLBSA-N 1 0 224.235 0.140 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1 ZINC000229641309 181108701 /nfs/dbraw/zinc/10/87/01/181108701.db2.gz SPQBZFRDBXHQFY-ZDUSSCGKSA-N 1 0 232.283 0.799 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@]2(O)CCOC2)o1 ZINC000126194053 181109131 /nfs/dbraw/zinc/10/91/31/181109131.db2.gz KTMKVSJAXXCBMS-LLVKDONJSA-N 1 0 222.244 0.392 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2CCCNC2=O)cc1 ZINC000050394162 181110217 /nfs/dbraw/zinc/11/02/17/181110217.db2.gz MVQSVANGDJZOEM-LBPRGKRZSA-N 1 0 229.283 0.926 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CCOC[C@@H](O)C2)cc1 ZINC000294848114 181103721 /nfs/dbraw/zinc/10/37/21/181103721.db2.gz RVCZLVPCASKNNW-ZDUSSCGKSA-N 1 0 232.283 0.751 20 30 BCEDRO C[C@H]1C[N@H+](CC(=O)NCC#N)C(C)(C)C1 ZINC000334631610 354374741 /nfs/dbraw/zinc/37/47/41/354374741.db2.gz ZKHZTUIINBPUFU-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC#CC[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000334633573 354378031 /nfs/dbraw/zinc/37/80/31/354378031.db2.gz WNCBXOVGOBONAE-MNOVXSKESA-N 1 0 206.289 0.705 20 30 BCEDRO CC[NH+](CC)C[C@H](C)Nc1ccnc(C#N)n1 ZINC000383614322 354379987 /nfs/dbraw/zinc/37/99/87/354379987.db2.gz UAQZIIAOMOISSN-JTQLQIEISA-N 1 0 233.319 0.912 20 30 BCEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCCO)C2)nc1 ZINC000292246342 181128640 /nfs/dbraw/zinc/12/86/40/181128640.db2.gz QOFSEUVGDGIOFU-GFCCVEGCSA-N 1 0 247.298 0.789 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@@H](O)CO)c1 ZINC000083344630 181138019 /nfs/dbraw/zinc/13/80/19/181138019.db2.gz YSJRQCZMFDNALT-LLVKDONJSA-N 1 0 206.245 0.001 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC[C@H](O)C2(C)C)C1=O ZINC000334695415 354486875 /nfs/dbraw/zinc/48/68/75/354486875.db2.gz CLLOLLVZCHTOOG-QWRGUYRKSA-N 1 0 238.331 0.619 20 30 BCEDRO C=C(CC)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000334772044 354591671 /nfs/dbraw/zinc/59/16/71/354591671.db2.gz KKCUPACEYJFHRO-SNVBAGLBSA-N 1 0 209.293 0.662 20 30 BCEDRO C=CCCC(=O)NCCC[N@@H+](C)CCN(C)C ZINC000345424442 354654007 /nfs/dbraw/zinc/65/40/07/354654007.db2.gz PKHINZKZFLCQSR-UHFFFAOYSA-N 1 0 241.379 0.952 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000345318917 354610069 /nfs/dbraw/zinc/61/00/69/354610069.db2.gz LYPMHTTWLSTUMF-UTLUCORTSA-N 1 0 209.293 0.745 20 30 BCEDRO C=CCCN(C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627150119 363386407 /nfs/dbraw/zinc/38/64/07/363386407.db2.gz WZRGRROITOFFMZ-UHFFFAOYSA-N 1 0 241.335 0.712 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000346232000 354874481 /nfs/dbraw/zinc/87/44/81/354874481.db2.gz VONJBQMDUCVBBC-NEPJUHHUSA-N 1 0 240.347 0.988 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1C(=O)N(C)CC[NH+](C)C ZINC000346232003 354874500 /nfs/dbraw/zinc/87/45/00/354874500.db2.gz VONJBQMDUCVBBC-NWDGAFQWSA-N 1 0 240.347 0.988 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)N(C)CC#N)CC[N@@H+]1C ZINC000346285934 354878091 /nfs/dbraw/zinc/87/80/91/354878091.db2.gz QXAAYJYCOQBUEB-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CCCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000346067327 354852180 /nfs/dbraw/zinc/85/21/80/354852180.db2.gz HZJNCGDSLUGCBY-LBPRGKRZSA-N 1 0 240.347 0.989 20 30 BCEDRO C=CCOCCCN1C[C@H](F)C[C@H]1C(N)=O ZINC000346085997 354863467 /nfs/dbraw/zinc/86/34/67/354863467.db2.gz MLCPMWVIKNZZEI-ZJUUUORDSA-N 1 0 230.283 0.477 20 30 BCEDRO C=C(C)CN1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000346102575 354865898 /nfs/dbraw/zinc/86/58/98/354865898.db2.gz ONUFDTAQQFPMOP-NSHDSACASA-N 1 0 239.363 0.880 20 30 BCEDRO CCN(C)C(=O)CCN(CCC#N)CCOC ZINC000130600437 363436292 /nfs/dbraw/zinc/43/62/92/363436292.db2.gz MAJUZEHTGICIDU-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO COCCC[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC000346439809 354937269 /nfs/dbraw/zinc/93/72/69/354937269.db2.gz SLPYAIILBKBGEU-JTQLQIEISA-N 1 0 227.308 0.231 20 30 BCEDRO C[C@@H](CO)[N@@H+]1CCCN(CC2(C#N)CC2)CC1 ZINC000346636681 355014867 /nfs/dbraw/zinc/01/48/67/355014867.db2.gz HXJUBFZVDGSMJD-LBPRGKRZSA-N 1 0 237.347 0.679 20 30 BCEDRO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@@H]2C)C1 ZINC000412874220 191323601 /nfs/dbraw/zinc/32/36/01/191323601.db2.gz IPRQYPDAIWCCEW-NHCYSSNCSA-N 1 0 221.304 0.747 20 30 BCEDRO N#Cc1nccnc1NCC[NH+]1CCCC1 ZINC000054378423 181174226 /nfs/dbraw/zinc/17/42/26/181174226.db2.gz JOSLBMJEOJHULK-UHFFFAOYSA-N 1 0 217.276 0.856 20 30 BCEDRO CC[NH+](CC)CC(=O)NC1(C#N)CCC1 ZINC000346876053 355141965 /nfs/dbraw/zinc/14/19/65/355141965.db2.gz VTCNXOPWPYMCPU-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO N#Cc1cccc(C(=O)NC[C@H]2C[NH2+]CCO2)c1 ZINC000134253197 355214944 /nfs/dbraw/zinc/21/49/44/355214944.db2.gz CZWQTDKPKJJILN-GFCCVEGCSA-N 1 0 245.282 0.276 20 30 BCEDRO [NH2+]=C(NCc1ccoc1)NC[C@H]1CCCO1 ZINC000195523246 181179154 /nfs/dbraw/zinc/17/91/54/181179154.db2.gz GGZDSUNDWKAGBW-SNVBAGLBSA-N 1 0 223.276 0.863 20 30 BCEDRO C=CC1CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000335617032 355323433 /nfs/dbraw/zinc/32/34/33/355323433.db2.gz HRCJLQDRXGZKOD-SECBINFHSA-N 1 0 211.309 0.941 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN(C[C@H](C)C#N)C1CC1 ZINC000583507540 355344099 /nfs/dbraw/zinc/34/40/99/355344099.db2.gz APYJHVLFKKHEJH-DGCLKSJQSA-N 1 0 239.363 0.923 20 30 BCEDRO C#C[C@@H]1COCCN1CC[C@@H]1CCC[N@H+]1C ZINC000491662361 491080010 /nfs/dbraw/zinc/08/00/10/491080010.db2.gz QSBKICNPSLUHLT-OLZOCXBDSA-N 1 0 222.332 0.805 20 30 BCEDRO C=CCNC(=O)N(CCOC)CC[NH+](C)C ZINC000105065364 355602285 /nfs/dbraw/zinc/60/22/85/355602285.db2.gz KHUWMQSKCNIOQX-UHFFFAOYSA-N 1 0 229.324 0.392 20 30 BCEDRO COC(C)(C)CN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000583558987 355608725 /nfs/dbraw/zinc/60/87/25/355608725.db2.gz HQPUNGUVRZEJLF-SNVBAGLBSA-N 1 0 241.335 0.891 20 30 BCEDRO COC(C)(C)CN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000583558986 355609151 /nfs/dbraw/zinc/60/91/51/355609151.db2.gz HQPUNGUVRZEJLF-JTQLQIEISA-N 1 0 241.335 0.891 20 30 BCEDRO C=CCC[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000639307179 355662397 /nfs/dbraw/zinc/66/23/97/355662397.db2.gz PYRZFNMNYRJFRH-UHFFFAOYSA-N 1 0 240.328 1.000 20 30 BCEDRO C=CCOCCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639314699 355696955 /nfs/dbraw/zinc/69/69/55/355696955.db2.gz GEFFCGFDTDCHQL-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCOCCC[NH2+]Cc1ncnn1C ZINC000639317519 355708770 /nfs/dbraw/zinc/70/87/70/355708770.db2.gz TWKWADKQYFYMQJ-UHFFFAOYSA-N 1 0 210.281 0.497 20 30 BCEDRO C=CCSCCNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000417327354 191793381 /nfs/dbraw/zinc/79/33/81/191793381.db2.gz GHNLKRKMNNEXAD-SNVBAGLBSA-N 1 0 243.376 0.909 20 30 BCEDRO C=C(C)CS(=O)(=O)N(C)Cc1ncc[nH]1 ZINC000632757824 355836930 /nfs/dbraw/zinc/83/69/30/355836930.db2.gz UIBYFYONGWLPDZ-UHFFFAOYSA-N 1 0 229.305 0.747 20 30 BCEDRO C=CC[C@H](C)[C@@H](C)[NH+](CCO)CCO ZINC000628369572 355876003 /nfs/dbraw/zinc/87/60/03/355876003.db2.gz JITKXVUFGLWSFQ-WDEREUQCSA-N 1 0 201.310 0.874 20 30 BCEDRO N#CCCCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000609572669 355909862 /nfs/dbraw/zinc/90/98/62/355909862.db2.gz PAKUMMQCZZSWKL-CHWSQXEVSA-N 1 0 237.347 0.821 20 30 BCEDRO N#CCCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000609572700 355909891 /nfs/dbraw/zinc/90/98/91/355909891.db2.gz SGNNYGUXADTMBJ-RYUDHWBXSA-N 1 0 223.320 0.431 20 30 BCEDRO C[C@H](CCC#N)[N@H+](C)CC(C)(CO)CO ZINC000351327989 355980440 /nfs/dbraw/zinc/98/04/40/355980440.db2.gz MDFAXAJNTCLLCU-SNVBAGLBSA-N 1 0 214.309 0.601 20 30 BCEDRO CCOC(=O)COCC[NH+]1CCC(C#N)CC1 ZINC000351438193 355992016 /nfs/dbraw/zinc/99/20/16/355992016.db2.gz DJFICIKYHAPZOV-UHFFFAOYSA-N 1 0 240.303 0.802 20 30 BCEDRO C[NH+](C)C[C@H]1CN(C(=O)CCCC#N)CCO1 ZINC000330901656 355993354 /nfs/dbraw/zinc/99/33/54/355993354.db2.gz RODASNVVZWOBMW-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO N#Cc1ccc(C[NH+](CCO)CCO)cc1F ZINC000191992342 355945110 /nfs/dbraw/zinc/94/51/10/355945110.db2.gz YVEJISBOCGVHNL-UHFFFAOYSA-N 1 0 238.262 0.484 20 30 BCEDRO C=C[C@H](CO)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000331129004 356042704 /nfs/dbraw/zinc/04/27/04/356042704.db2.gz FSQMISWUXVURHV-OUAUKWLOSA-N 1 0 226.320 0.522 20 30 BCEDRO C[C@H]1CCN(C(=O)NCCCC#N)C[C@H]1C[NH3+] ZINC000417995240 191950212 /nfs/dbraw/zinc/95/02/12/191950212.db2.gz CVYFDFIMBNNWRW-WDEREUQCSA-N 1 0 238.335 0.916 20 30 BCEDRO COCC#CCN1CC[C@@H](C)[S@](=O)CC1 ZINC000617565306 356126094 /nfs/dbraw/zinc/12/60/94/356126094.db2.gz AYPPCNZEGARDFE-IAQYHMDHSA-N 1 0 229.345 0.479 20 30 BCEDRO C=C[C@H](O)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000617550170 356093284 /nfs/dbraw/zinc/09/32/84/356093284.db2.gz KJMIFEWXCUDBJG-UWVGGRQHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418245448 192004230 /nfs/dbraw/zinc/00/42/30/192004230.db2.gz OWALDSUIGIRVLB-SNVBAGLBSA-N 1 0 227.308 0.240 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](C)C[NH2+]C ZINC000418260892 192006613 /nfs/dbraw/zinc/00/66/13/192006613.db2.gz YCOIXRNFAYOCID-AXFHLTTASA-N 1 0 241.335 0.485 20 30 BCEDRO C=C(C)CCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000418251176 192007263 /nfs/dbraw/zinc/00/72/63/192007263.db2.gz WJWLAQPIBAIPKD-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=C(CC)CNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000418264865 192009531 /nfs/dbraw/zinc/00/95/31/192009531.db2.gz MVXKIVOKVHMQSC-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=C(CC)CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418273083 192010569 /nfs/dbraw/zinc/01/05/69/192010569.db2.gz YCCDFOONKXFEBK-MYJAWHEDSA-N 1 0 209.293 0.470 20 30 BCEDRO CC[C@H]([NH3+])CNC(=O)NCC(C)(C)CC#N ZINC000418273834 192011372 /nfs/dbraw/zinc/01/13/72/192011372.db2.gz CBJLPJQNRSMDJN-VIFPVBQESA-N 1 0 226.324 0.963 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NCCC[NH2+]C ZINC000418276939 192011528 /nfs/dbraw/zinc/01/15/28/192011528.db2.gz HIMSCDNKISOANR-SNVBAGLBSA-N 1 0 229.324 0.222 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000335919756 356167858 /nfs/dbraw/zinc/16/78/58/356167858.db2.gz NKCVNXGULLPWHX-GHMZBOCLSA-N 1 0 206.289 0.610 20 30 BCEDRO CC#CCNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000336095086 134080224 /nfs/dbraw/zinc/08/02/24/134080224.db2.gz HIHXRGJOMICDFX-LBPRGKRZSA-N 1 0 237.347 0.991 20 30 BCEDRO C=CCN(C(=O)[C@H](C)[NH+](C)C)[C@H](C)COC ZINC000617579472 356148212 /nfs/dbraw/zinc/14/82/12/356148212.db2.gz FARWUIDDMMRUTO-MNOVXSKESA-N 1 0 228.336 0.986 20 30 BCEDRO C=C(C)CNC(=O)NCCCN1CC[NH2+]CC1 ZINC000418295175 192019855 /nfs/dbraw/zinc/01/98/55/192019855.db2.gz HNGMHMKFHNJIDZ-UHFFFAOYSA-N 1 0 240.351 0.157 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000418305821 192020772 /nfs/dbraw/zinc/02/07/72/192020772.db2.gz PBJYQOHNETVTLW-LLVKDONJSA-N 1 0 240.351 0.155 20 30 BCEDRO C=CC[C@H](C)NC(=O)NCCN1CC[NH2+]CC1 ZINC000418305822 192021505 /nfs/dbraw/zinc/02/15/05/192021505.db2.gz PBJYQOHNETVTLW-NSHDSACASA-N 1 0 240.351 0.155 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418311454 192021698 /nfs/dbraw/zinc/02/16/98/192021698.db2.gz FQSRYFMUSURGQE-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO CC#CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418313285 192022925 /nfs/dbraw/zinc/02/29/25/192022925.db2.gz QEQGBBYFBWHAHD-WDEREUQCSA-N 1 0 223.320 0.697 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)NCCC#N)CC1 ZINC000336105194 134084466 /nfs/dbraw/zinc/08/44/66/134084466.db2.gz FEWDYBDDGPIBBA-UHFFFAOYSA-N 1 0 210.281 0.247 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)NCC(C)(C)CC#N ZINC000418290728 192016591 /nfs/dbraw/zinc/01/65/91/192016591.db2.gz LMAWLQKTNDWCGU-SECBINFHSA-N 1 0 226.324 0.820 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@H](C)[NH2+][C@@H](C)C2)C1=O ZINC000420289136 192201372 /nfs/dbraw/zinc/20/13/72/192201372.db2.gz HRNHGWRYQGTBSF-SRVKXCTJSA-N 1 0 237.347 0.456 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617758850 356314658 /nfs/dbraw/zinc/31/46/58/356314658.db2.gz XUKREENGXKRFRD-CMPLNLGQSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@H](C)[NH2+]C[C@H]2C)C1=O ZINC000420337297 192214306 /nfs/dbraw/zinc/21/43/06/192214306.db2.gz LVAGVDYKXVGOTN-TUAOUCFPSA-N 1 0 237.347 0.456 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@H]3C[NH2+]C[C@H]32)C1=O ZINC000420337009 192215131 /nfs/dbraw/zinc/21/51/31/192215131.db2.gz JGKNEFDNLQGIKA-RWMBFGLXSA-N 1 0 249.358 0.457 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@H](C)[NH2+]C[C@@H]2C)C1=O ZINC000420337293 192215278 /nfs/dbraw/zinc/21/52/78/192215278.db2.gz LVAGVDYKXVGOTN-SRVKXCTJSA-N 1 0 237.347 0.456 20 30 BCEDRO C[C@H]1C[N@H+](CC(=O)NCC#N)CC(C)(C)C1 ZINC000336351219 356346311 /nfs/dbraw/zinc/34/63/11/356346311.db2.gz DDQKWWPGAUDEJE-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCN1CC[C@H](N2CC[NH2+][C@@H](C)[C@@H]2C)C1=O ZINC000420310570 192211668 /nfs/dbraw/zinc/21/16/68/192211668.db2.gz MJMDWFAWWIPCQW-SRVKXCTJSA-N 1 0 237.347 0.456 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000420321467 192227494 /nfs/dbraw/zinc/22/74/94/192227494.db2.gz VHEGFPOMABMFNK-UPJWGTAASA-N 1 0 249.358 0.315 20 30 BCEDRO C#C[C@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000395709191 356380791 /nfs/dbraw/zinc/38/07/91/356380791.db2.gz BLCQEUIDUNKWIY-MNOVXSKESA-N 1 0 208.305 0.712 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C2CC(OC)C2)C1=O ZINC000352200982 134100441 /nfs/dbraw/zinc/10/04/41/134100441.db2.gz COPJQCYEJMPAAG-MCIGGMRASA-N 1 0 238.331 0.883 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H](C)C[C@@H]1C[NH3+] ZINC000420425645 192244504 /nfs/dbraw/zinc/24/45/04/192244504.db2.gz SPCVXZQPGZCWEZ-GHMZBOCLSA-N 1 0 246.376 0.952 20 30 BCEDRO COCC[N@@H+]1CC[C@H](Nc2cncc(C#N)n2)C1 ZINC000420605840 192248257 /nfs/dbraw/zinc/24/82/57/192248257.db2.gz WBGITMBIYSCWDL-JTQLQIEISA-N 1 0 247.302 0.481 20 30 BCEDRO C[C@@H](C#N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000609843358 356486744 /nfs/dbraw/zinc/48/67/44/356486744.db2.gz UJTALFUORHARAT-VIFPVBQESA-N 1 0 235.291 0.543 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000669184013 491092666 /nfs/dbraw/zinc/09/26/66/491092666.db2.gz VQMKYNDXRLWNOP-GUBZILKMSA-N 1 0 212.293 0.132 20 30 BCEDRO CC1(C)CN(C(=O)c2ccc(C#N)[nH]2)CC[NH2+]1 ZINC000160351069 356466608 /nfs/dbraw/zinc/46/66/08/356466608.db2.gz KYIORVADVDJPPU-UHFFFAOYSA-N 1 0 232.287 0.710 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccncc1C#N ZINC000399368529 356470653 /nfs/dbraw/zinc/47/06/53/356470653.db2.gz JVUQOVAEEKHILS-LBPRGKRZSA-N 1 0 245.330 0.033 20 30 BCEDRO C=C(C)CS(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420729037 192258853 /nfs/dbraw/zinc/25/88/53/192258853.db2.gz BOSHEPUWQBEVOG-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=C(C)C[N@H+](C)C[C@H](O)CC1(O)CCOCC1 ZINC000639572618 356496381 /nfs/dbraw/zinc/49/63/81/356496381.db2.gz SCAYUYLGDAWICB-GFCCVEGCSA-N 1 0 243.347 0.787 20 30 BCEDRO CC(=O)CN1CCN(c2cccc(C#N)n2)CC1 ZINC000639586337 356505595 /nfs/dbraw/zinc/50/55/95/356505595.db2.gz KTFWGEJEVNBUIU-UHFFFAOYSA-N 1 0 244.298 0.664 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000237571324 363471888 /nfs/dbraw/zinc/47/18/88/363471888.db2.gz GKEHIQRFTWCHMF-VHSXEESVSA-N 1 0 212.293 0.527 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@@]23CCOC3)C1=O ZINC000421017626 192304412 /nfs/dbraw/zinc/30/44/12/192304412.db2.gz KJHWVGYHNQNADL-YPMHNXCESA-N 1 0 236.315 0.638 20 30 BCEDRO C=CCCS(=O)(=O)N1CCCC[C@H]1C[NH3+] ZINC000237861467 363476635 /nfs/dbraw/zinc/47/66/35/363476635.db2.gz GZITWHCZRSBGHZ-JTQLQIEISA-N 1 0 232.349 0.706 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000639658390 356566176 /nfs/dbraw/zinc/56/61/76/356566176.db2.gz GTJPMGHILNWLAM-JTQLQIEISA-N 1 0 204.277 0.721 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000288486652 363492681 /nfs/dbraw/zinc/49/26/81/363492681.db2.gz AGAYTRYLKDVHND-SSDOTTSWSA-N 1 0 234.683 0.136 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000639659507 356568574 /nfs/dbraw/zinc/56/85/74/356568574.db2.gz PHKLIWHGAGVHQH-STQMWFEESA-N 1 0 225.332 0.854 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000622012939 370663440 /nfs/dbraw/zinc/66/34/40/370663440.db2.gz IHMXIHITQDUBHY-MNOVXSKESA-N 1 0 244.360 0.706 20 30 BCEDRO C[NH+](C)[C@H](CNC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC000346676110 356577432 /nfs/dbraw/zinc/57/74/32/356577432.db2.gz PZUNZMXHLCSOTD-GFCCVEGCSA-N 1 0 246.314 0.956 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000449984819 202062737 /nfs/dbraw/zinc/06/27/37/202062737.db2.gz KKMVEGREHALRSM-DCQANWLSSA-N 1 0 235.331 0.945 20 30 BCEDRO C=CCC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000639737199 356630668 /nfs/dbraw/zinc/63/06/68/356630668.db2.gz NKQFKAAHHGDAOO-UHFFFAOYSA-N 1 0 234.290 0.808 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000613578828 363521699 /nfs/dbraw/zinc/52/16/99/363521699.db2.gz DUNGSENNPJUZBT-MNOVXSKESA-N 1 0 226.320 0.522 20 30 BCEDRO CC[C@@H]1C(=O)NCCN1CC1(CC#N)CC1 ZINC000088259531 356644982 /nfs/dbraw/zinc/64/49/82/356644982.db2.gz JGHYWKPWUYROLY-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO CC[NH+]1CCN([C@@H](C)CNC(=O)CC#N)CC1 ZINC000331040557 134148732 /nfs/dbraw/zinc/14/87/32/134148732.db2.gz CFGLGVRPNZAJFS-NSHDSACASA-N 1 0 238.335 0.042 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000336389058 134145694 /nfs/dbraw/zinc/14/56/94/134145694.db2.gz AZUDMKXZNIKPPU-SNVBAGLBSA-N 1 0 223.320 0.946 20 30 BCEDRO CN(CCO)CC(=O)Nc1sccc1C#N ZINC000049634113 356642292 /nfs/dbraw/zinc/64/22/92/356642292.db2.gz CKESYYPVROFVTC-UHFFFAOYSA-N 1 0 239.300 0.482 20 30 BCEDRO CN(C(=O)[C@@H]1CCC[N@@H+]1C)C1(C#N)CCC1 ZINC000336617536 134151574 /nfs/dbraw/zinc/15/15/74/134151574.db2.gz YKYADWHDXGBCID-JTQLQIEISA-N 1 0 221.304 0.985 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000167662278 134153645 /nfs/dbraw/zinc/15/36/45/134153645.db2.gz JPOWAACFWGUEQC-QWRGUYRKSA-N 1 0 225.336 0.205 20 30 BCEDRO C=CCCC(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000352856293 134155045 /nfs/dbraw/zinc/15/50/45/134155045.db2.gz FNSVKVAVMNRRNG-LBPRGKRZSA-N 1 0 240.347 0.916 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000305074134 134159789 /nfs/dbraw/zinc/15/97/89/134159789.db2.gz KKHCPNXSYVAJMI-LLVKDONJSA-N 1 0 241.335 0.400 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000305078913 134159845 /nfs/dbraw/zinc/15/98/45/134159845.db2.gz LXCUQBLXNYDLCO-NWDGAFQWSA-N 1 0 240.347 0.770 20 30 BCEDRO CC(C)[NH2+]C1CCN(CC(=O)NCC#N)CC1 ZINC000108862658 134160222 /nfs/dbraw/zinc/16/02/22/134160222.db2.gz MHKKXAIVSJHAPH-UHFFFAOYSA-N 1 0 238.335 0.089 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000305838288 134160574 /nfs/dbraw/zinc/16/05/74/134160574.db2.gz XYQDCLPFPKDFEW-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C1CC[NH+](C[C@H](O)COCCOC)CC1 ZINC000450393135 202150612 /nfs/dbraw/zinc/15/06/12/202150612.db2.gz OFIABZHOVFFSDO-LBPRGKRZSA-N 1 0 229.320 0.662 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC000114486410 134161758 /nfs/dbraw/zinc/16/17/58/134161758.db2.gz KXSCWGLHROUNNG-NWDGAFQWSA-N 1 0 238.331 0.642 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](N(C)C)C1 ZINC000639802192 356765089 /nfs/dbraw/zinc/76/50/89/356765089.db2.gz PGWSVRWONBGKBZ-RYUDHWBXSA-N 1 0 212.337 0.949 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000356243037 134177342 /nfs/dbraw/zinc/17/73/42/134177342.db2.gz GLGIBLFSRYDNFP-LLVKDONJSA-N 1 0 242.282 0.842 20 30 BCEDRO C=C(C)CC[N@H+](CCO)CCN1CCOCC1 ZINC000352003036 538714159 /nfs/dbraw/zinc/71/41/59/538714159.db2.gz JJXAJSBDPLBHTF-UHFFFAOYSA-N 1 0 242.363 0.579 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639852618 356856613 /nfs/dbraw/zinc/85/66/13/356856613.db2.gz UWORAXOYEUGLSS-SRVKXCTJSA-N 1 0 229.320 0.131 20 30 BCEDRO C[C@@H](C1CCC1)[N@H+](C)CC(=O)NCC#N ZINC000357028933 134181546 /nfs/dbraw/zinc/18/15/46/134181546.db2.gz CMRVALBZGFFUEA-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)C[C@@H]1CCOC1 ZINC000399687432 357011686 /nfs/dbraw/zinc/01/16/86/357011686.db2.gz RSAVXSYAKDBEOO-VHSXEESVSA-N 1 0 213.277 0.682 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N[C@]1(C#N)CCOC1 ZINC000358478645 134188874 /nfs/dbraw/zinc/18/88/74/134188874.db2.gz SNWMTKZMCSWBMI-NSHDSACASA-N 1 0 225.292 0.125 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCCC1CC1 ZINC000582416001 357140871 /nfs/dbraw/zinc/14/08/71/357140871.db2.gz RAZXEVMTHNFDPW-ZDUSSCGKSA-N 1 0 239.363 0.973 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC#N ZINC000358619571 134191058 /nfs/dbraw/zinc/19/10/58/134191058.db2.gz ZCGGFDMTRLWWSA-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO N#Cc1ncccc1OC[C@H]1C[NH2+]CCO1 ZINC000168803077 357240479 /nfs/dbraw/zinc/24/04/79/357240479.db2.gz NRPGSEHQZWXMNE-SECBINFHSA-N 1 0 219.244 0.320 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000358997232 134193507 /nfs/dbraw/zinc/19/35/07/134193507.db2.gz TVSGBMRRJYXZMS-LLVKDONJSA-N 1 0 248.330 0.689 20 30 BCEDRO CCOC[C@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000393748215 357295749 /nfs/dbraw/zinc/29/57/49/357295749.db2.gz SUCRUARDYJIRDE-SNVBAGLBSA-N 1 0 212.293 0.667 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000359671784 134196679 /nfs/dbraw/zinc/19/66/79/134196679.db2.gz AELCTDPXABBUFB-KOLCDFICSA-N 1 0 241.360 0.700 20 30 BCEDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCC1(C#N)CC1 ZINC000582715559 357370021 /nfs/dbraw/zinc/37/00/21/357370021.db2.gz OCWYURHLLJPALR-JTQLQIEISA-N 1 0 238.335 0.963 20 30 BCEDRO CC[NH+](CC)CC(=O)NC1(C#N)CCOCC1 ZINC000360180614 134199108 /nfs/dbraw/zinc/19/91/08/134199108.db2.gz ASJAOEPJFVIYGF-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO CC[N@H+](C)C[C@H](O)COc1cccnc1C#N ZINC000582557287 357344231 /nfs/dbraw/zinc/34/42/31/357344231.db2.gz WKUWEADCOUWLSA-JTQLQIEISA-N 1 0 235.287 0.645 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)COc1cccnc1C#N ZINC000582557288 357344789 /nfs/dbraw/zinc/34/47/89/357344789.db2.gz WKUWEADCOUWLSA-SNVBAGLBSA-N 1 0 235.287 0.645 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)COCC(C)C ZINC000321006191 357393657 /nfs/dbraw/zinc/39/36/57/357393657.db2.gz LMQPRBNPWHADTH-NEPJUHHUSA-N 1 0 231.336 0.547 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000583154129 357496143 /nfs/dbraw/zinc/49/61/43/357496143.db2.gz UQRRUQLIVMMLFB-NEPJUHHUSA-N 1 0 240.347 0.629 20 30 BCEDRO CC#CCCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000361649168 134206890 /nfs/dbraw/zinc/20/68/90/134206890.db2.gz XXNDEZCVBUWUKM-UHFFFAOYSA-N 1 0 235.331 0.961 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](OC)C1 ZINC000361357909 134204786 /nfs/dbraw/zinc/20/47/86/134204786.db2.gz UOZOIRDXSAAIRT-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO C=CCN(CCOC)CC[N@@H+]1CCCOCC1 ZINC000361377014 134204839 /nfs/dbraw/zinc/20/48/39/134204839.db2.gz HPXOMXAPRRNYGW-UHFFFAOYSA-N 1 0 242.363 0.843 20 30 BCEDRO C=CCCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361504059 134205942 /nfs/dbraw/zinc/20/59/42/134205942.db2.gz RTBNEJBWJSHYFX-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@H]2CN(C)CCO2)cc1C#N ZINC000189595729 357644813 /nfs/dbraw/zinc/64/48/13/357644813.db2.gz ISYHAHDXVUJXDJ-CYBMUJFWSA-N 1 0 248.330 0.317 20 30 BCEDRO CCN(CC#N)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362616209 134213025 /nfs/dbraw/zinc/21/30/25/134213025.db2.gz KGWITAWWYPDFJN-ZJUUUORDSA-N 1 0 209.293 0.556 20 30 BCEDRO C#CCN1CC[N@H+](C2CCN(C)CC2)[C@@H](C)C1 ZINC000362639478 134213549 /nfs/dbraw/zinc/21/35/49/134213549.db2.gz KSJRPIWLRWRJOD-ZDUSSCGKSA-N 1 0 235.375 0.720 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000368472497 134218824 /nfs/dbraw/zinc/21/88/24/134218824.db2.gz XXBKPDQDTFHIJL-WDEREUQCSA-N 1 0 224.304 0.399 20 30 BCEDRO CCOC[C@H]([NH2+]CC(=O)NCC#N)C(C)C ZINC000233770852 357746462 /nfs/dbraw/zinc/74/64/62/357746462.db2.gz LHAUZVHPXTZUCG-JTQLQIEISA-N 1 0 227.308 0.277 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H](O)COC ZINC000191098154 357749254 /nfs/dbraw/zinc/74/92/54/357749254.db2.gz HLVVFJZXQNGWEV-SNVBAGLBSA-N 1 0 203.282 0.128 20 30 BCEDRO C=CC[N@@H+](CCOC)CCC(=O)N(C)CC ZINC000191119406 357752123 /nfs/dbraw/zinc/75/21/23/357752123.db2.gz CCQPFMHUTZSAIC-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C[N@@H+]1CC[C@H](Cn2cnc(C#N)c2C#N)C1 ZINC000191215865 357757945 /nfs/dbraw/zinc/75/79/45/357757945.db2.gz SSFYXPLMILCDOR-VIFPVBQESA-N 1 0 215.260 0.578 20 30 BCEDRO C[C@H]1CN(CC[NH+]2CCC(C#N)CC2)CCO1 ZINC000191465769 357772077 /nfs/dbraw/zinc/77/20/77/357772077.db2.gz RZUXFQITUNUOHJ-LBPRGKRZSA-N 1 0 237.347 0.943 20 30 BCEDRO C#CCC[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000369315998 134222182 /nfs/dbraw/zinc/22/21/82/134222182.db2.gz XZOXMLKGHOFDJA-NEPJUHHUSA-N 1 0 209.289 0.890 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000370266037 134225380 /nfs/dbraw/zinc/22/53/80/134225380.db2.gz LADGLQBZSZOFKC-RUJTVUFUSA-N 1 0 225.292 0.171 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000371097930 134227079 /nfs/dbraw/zinc/22/70/79/134227079.db2.gz DQDMPAJRBDKFQP-WDEREUQCSA-N 1 0 224.304 0.093 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000235528273 357876484 /nfs/dbraw/zinc/87/64/84/357876484.db2.gz OMYISRQLFUUWEV-MVWJERBFSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CCC[N@@H+]1CCO[C@@H]([C@@H]2CCCO2)C1 ZINC000371209496 134227989 /nfs/dbraw/zinc/22/79/89/134227989.db2.gz URYMTGPEZFZNTE-NWDGAFQWSA-N 1 0 209.289 0.890 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000303385324 134233718 /nfs/dbraw/zinc/23/37/18/134233718.db2.gz VJGLBQOXKLVFOJ-ZJUUUORDSA-N 1 0 228.340 0.020 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)CCCC[NH+](C)C ZINC000610473274 357948956 /nfs/dbraw/zinc/94/89/56/357948956.db2.gz ISMUQTTTYNOCQI-JTQLQIEISA-N 1 0 211.309 0.946 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC1(C#N)CC1 ZINC000583802001 357952872 /nfs/dbraw/zinc/95/28/72/357952872.db2.gz LXHILPIVQJYSPU-VHSXEESVSA-N 1 0 236.319 0.587 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(C#N)CC1 ZINC000583802000 357953138 /nfs/dbraw/zinc/95/31/38/357953138.db2.gz LXHILPIVQJYSPU-UWVGGRQHSA-N 1 0 236.319 0.587 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3cncc(C#N)n3)C[C@H]2C1 ZINC000583809169 357955380 /nfs/dbraw/zinc/95/53/80/357955380.db2.gz GIXMUEIFLJMOMI-AOOOYVTPSA-N 1 0 229.287 0.346 20 30 BCEDRO C=C(C)CC[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639945095 357969434 /nfs/dbraw/zinc/96/94/34/357969434.db2.gz RWRVGMXBBQEGGB-CHWSQXEVSA-N 1 0 236.315 0.937 20 30 BCEDRO C[C@@H](C(=O)N(CCC#N)CCC#N)[NH+](C)C ZINC000610560091 357987386 /nfs/dbraw/zinc/98/73/86/357987386.db2.gz ZMKRFKITRALALE-JTQLQIEISA-N 1 0 222.292 0.592 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC000133518426 325298267 /nfs/dbraw/zinc/29/82/67/325298267.db2.gz ODQQBIILTQDQKC-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO CC[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)OC ZINC000584465695 357992955 /nfs/dbraw/zinc/99/29/55/357992955.db2.gz XITXWIGJSSCQAC-NEPJUHHUSA-N 1 0 243.351 0.207 20 30 BCEDRO CC#CC[N@H+](C)CCNC(=O)NC(C)C ZINC000584467115 357993608 /nfs/dbraw/zinc/99/36/08/357993608.db2.gz XSUCPDPQYLAICB-UHFFFAOYSA-N 1 0 211.309 0.649 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000305071585 134239617 /nfs/dbraw/zinc/23/96/17/134239617.db2.gz JLVZIWOIGKEOEV-NWDGAFQWSA-N 1 0 240.347 0.901 20 30 BCEDRO C=C(C)C[N@H+](C)C[C@H](O)CN1CCCC1=O ZINC000305685894 134242225 /nfs/dbraw/zinc/24/22/25/134242225.db2.gz PVQDJNYIGLWXQJ-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)[C@@H](C)CO ZINC000305742986 134242327 /nfs/dbraw/zinc/24/23/27/134242327.db2.gz SYPMSAZZEFGWNU-JTQLQIEISA-N 1 0 227.308 0.061 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000133644354 325306375 /nfs/dbraw/zinc/30/63/75/325306375.db2.gz DQSFSSMYKKWQIA-IJLUTSLNSA-N 1 0 239.363 0.607 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCCO1 ZINC000392752597 259476295 /nfs/dbraw/zinc/47/62/95/259476295.db2.gz FGJCYZWOSBORBG-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCC(N)=O)c1 ZINC000036747029 358047581 /nfs/dbraw/zinc/04/75/81/358047581.db2.gz DEQXOUPYOUSMER-UHFFFAOYSA-N 1 0 203.245 0.523 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1nccn1C ZINC000262020168 535390143 /nfs/dbraw/zinc/39/01/43/535390143.db2.gz XRKLHCOXBNQFMS-UHFFFAOYSA-N 1 0 209.297 0.577 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1cncn1C ZINC000262351552 535390284 /nfs/dbraw/zinc/39/02/84/535390284.db2.gz YXGBYXZDVACWTE-UHFFFAOYSA-N 1 0 209.297 0.577 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000051887343 358090360 /nfs/dbraw/zinc/09/03/60/358090360.db2.gz GEMQRPLVIVWARJ-GFCCVEGCSA-N 1 0 240.347 0.725 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)CSC ZINC000584593615 358110665 /nfs/dbraw/zinc/11/06/65/358110665.db2.gz JDLZKIKCWCWNBR-NXEZZACHSA-N 1 0 219.350 0.485 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1ccnc(C)n1 ZINC000170909405 134254983 /nfs/dbraw/zinc/25/49/83/134254983.db2.gz OBHZYABQFOWSKO-UHFFFAOYSA-N 1 0 219.292 0.765 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000170770393 134253847 /nfs/dbraw/zinc/25/38/47/134253847.db2.gz DKGTYJBZPCKPQY-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO CC[C@@H](O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000610762202 358146631 /nfs/dbraw/zinc/14/66/31/358146631.db2.gz CBUJWKSLXWEFFW-CHWSQXEVSA-N 1 0 239.363 0.923 20 30 BCEDRO CC[C@]1(O)CCC[N@H+](CC#CCOC)C1 ZINC000640036659 358137281 /nfs/dbraw/zinc/13/72/81/358137281.db2.gz WGWYFIJFVDANJZ-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO COC(=O)C1(CN2CC(C)(C#N)C2)CC1 ZINC000584728364 358167338 /nfs/dbraw/zinc/16/73/38/358167338.db2.gz KEKDCZXREAYFQN-UHFFFAOYSA-N 1 0 208.261 0.785 20 30 BCEDRO CC1(C)CN(CC(=O)NC2(C#N)CC2)C1 ZINC000584730030 358168302 /nfs/dbraw/zinc/16/83/02/358168302.db2.gz NEMUSSYAOHICNT-UHFFFAOYSA-N 1 0 207.277 0.501 20 30 BCEDRO C=CCCCN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000584778836 358175554 /nfs/dbraw/zinc/17/55/54/358175554.db2.gz ZFPYYLNSGGBLGR-GFCCVEGCSA-N 1 0 237.303 0.627 20 30 BCEDRO C=CCCCN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000584778838 358175558 /nfs/dbraw/zinc/17/55/58/358175558.db2.gz ZFPYYLNSGGBLGR-LBPRGKRZSA-N 1 0 237.303 0.627 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@H](C)CO ZINC000450732512 202248898 /nfs/dbraw/zinc/24/88/98/202248898.db2.gz ICSJYTGFJMKLPS-VWYCJHECSA-N 1 0 201.310 0.920 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](O)Cc1ccccc1 ZINC000264289315 535423154 /nfs/dbraw/zinc/42/31/54/535423154.db2.gz PMGZNJVOVPXQKX-NSHDSACASA-N 1 0 221.304 0.514 20 30 BCEDRO CCNC(=[NH2+])NCc1cccc(C(=O)N(C)C)c1 ZINC000264087001 535423884 /nfs/dbraw/zinc/42/38/84/535423884.db2.gz JUNJCUQMBMGJSL-UHFFFAOYSA-N 1 0 248.330 0.813 20 30 BCEDRO CCNC(=[NH2+])NC[C@](C)(O)c1ccc(F)cc1 ZINC000270454933 535422818 /nfs/dbraw/zinc/42/28/18/535422818.db2.gz VQNNNBIYAYEXSW-LBPRGKRZSA-N 1 0 239.294 0.957 20 30 BCEDRO CCNC(=[NH2+])NCCn1cnc2ccccc21 ZINC000264142293 535422858 /nfs/dbraw/zinc/42/28/58/535422858.db2.gz WXKJTMRSKULCSF-UHFFFAOYSA-N 1 0 231.303 0.961 20 30 BCEDRO CCNC(=[NH2+])NCc1nnc(CC)s1 ZINC000290734803 535424666 /nfs/dbraw/zinc/42/46/66/535424666.db2.gz WNHTUAPIAMHAJQ-UHFFFAOYSA-N 1 0 213.310 0.525 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000228861251 358387357 /nfs/dbraw/zinc/38/73/57/358387357.db2.gz WBVWELKJJFZCAZ-LPEHRKFASA-N 1 0 226.320 0.426 20 30 BCEDRO CCNC(=[NH2+])NCc1cccc(OC)c1O ZINC000264255936 535424418 /nfs/dbraw/zinc/42/44/18/535424418.db2.gz IISLBUGTIUTDRY-UHFFFAOYSA-N 1 0 223.276 0.825 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418419054 358432431 /nfs/dbraw/zinc/43/24/31/358432431.db2.gz XANZCWOKSJRABZ-WDEREUQCSA-N 1 0 223.320 0.826 20 30 BCEDRO C[N@H+](CCCC#N)[C@H]1CCCCNC1=O ZINC000105614248 358436845 /nfs/dbraw/zinc/43/68/45/358436845.db2.gz JPQHQGNKGOZHNF-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C=C[C@@H](C)NC(=O)NCC[N@@H+](C)CCOC ZINC000128406276 358575246 /nfs/dbraw/zinc/57/52/46/358575246.db2.gz MCLZTQHXYCSUNB-SNVBAGLBSA-N 1 0 229.324 0.438 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(C)CCC[NH2+]C ZINC000124986423 358530852 /nfs/dbraw/zinc/53/08/52/358530852.db2.gz WTYJSKCMRLOKGQ-UHFFFAOYSA-N 1 0 239.363 0.728 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000136197195 358867768 /nfs/dbraw/zinc/86/77/68/358867768.db2.gz DKHBPJGDGVDWJQ-JQWIXIFHSA-N 1 0 223.320 0.994 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NCC[N@H+](C)CCOC ZINC000136241686 358869746 /nfs/dbraw/zinc/86/97/46/358869746.db2.gz STCGGUMSNVVXOZ-GFCCVEGCSA-N 1 0 241.335 0.621 20 30 BCEDRO CC(C)C[NH+]1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000055079843 358881443 /nfs/dbraw/zinc/88/14/43/358881443.db2.gz KQKFTKQRSDNQSB-NSHDSACASA-N 1 0 223.320 0.946 20 30 BCEDRO COCCCNC(=O)C[N@H+](C)CCCCC#N ZINC000057627215 358905476 /nfs/dbraw/zinc/90/54/76/358905476.db2.gz CZRQHPFWQCJGKM-UHFFFAOYSA-N 1 0 241.335 0.765 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000308836855 491138718 /nfs/dbraw/zinc/13/87/18/491138718.db2.gz WTZZQSMYCCUXNH-JTQLQIEISA-N 1 0 233.333 0.356 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)CC(=O)N(C)C ZINC000308851189 491138978 /nfs/dbraw/zinc/13/89/78/491138978.db2.gz OLNUCQHNDAVRRU-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000247664164 359239314 /nfs/dbraw/zinc/23/93/14/359239314.db2.gz XULMXPQXOQZOMC-QWRGUYRKSA-N 1 0 244.335 0.136 20 30 BCEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccc(C#N)nn1 ZINC000611299086 359304496 /nfs/dbraw/zinc/30/44/96/359304496.db2.gz NALMGINEPTZXEQ-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO CO[C@@H](C)C[NH+]1CCN(CCC#N)CC1 ZINC000611794034 359452722 /nfs/dbraw/zinc/45/27/22/359452722.db2.gz HRLMYIDNLGVTBH-NSHDSACASA-N 1 0 211.309 0.553 20 30 BCEDRO CCOC(=O)CC[C@@H](O)C[NH2+]C[C@H](C)C#N ZINC000580434582 359545693 /nfs/dbraw/zinc/54/56/93/359545693.db2.gz BKVOUZWHLMWIDT-NXEZZACHSA-N 1 0 228.292 0.440 20 30 BCEDRO C=CC1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC000580461934 359569001 /nfs/dbraw/zinc/56/90/01/359569001.db2.gz KNEORGLDIDXBEZ-SECBINFHSA-N 1 0 208.261 0.300 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C[NH3+])C(C)(C)C ZINC000423948683 192848652 /nfs/dbraw/zinc/84/86/52/192848652.db2.gz GEZHQQZRTQFKQR-VIFPVBQESA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000226000336 359613384 /nfs/dbraw/zinc/61/33/84/359613384.db2.gz QOLCZQQCOAUZBY-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@@H](O)C[N@H+](CC1(C#N)CCC1)[C@H](C)CO ZINC000450830505 202281417 /nfs/dbraw/zinc/28/14/17/202281417.db2.gz ODMLJPXWCNYOLZ-GHMZBOCLSA-N 1 0 226.320 0.744 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000612304389 359778294 /nfs/dbraw/zinc/77/82/94/359778294.db2.gz OSSKBMNOTOSQCH-GAFUQQFSSA-N 1 0 238.331 0.522 20 30 BCEDRO CN1CCN(C(=O)NCCCC#N)CC1 ZINC000612380272 359823109 /nfs/dbraw/zinc/82/31/09/359823109.db2.gz XJGABRGMBRZMFW-UHFFFAOYSA-N 1 0 210.281 0.247 20 30 BCEDRO CC#CCNC(=O)NCCC[NH2+]C(C)C ZINC000578426003 366565023 /nfs/dbraw/zinc/56/50/23/366565023.db2.gz DSKGJUKOPNGFGP-UHFFFAOYSA-N 1 0 211.309 0.697 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[NH+]2CCC1CC2 ZINC000613860522 363669522 /nfs/dbraw/zinc/66/95/22/363669522.db2.gz DNVHJPFFETYASV-LBPRGKRZSA-N 1 0 224.304 0.230 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(CC)CCC[NH+](C)C ZINC000613860900 363671458 /nfs/dbraw/zinc/67/14/58/363671458.db2.gz HZVVSWXAHQLHAD-GFCCVEGCSA-N 1 0 228.336 0.724 20 30 BCEDRO C=CCC[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451144331 202365189 /nfs/dbraw/zinc/36/51/89/202365189.db2.gz KDUATPXWXXEXKE-NEPJUHHUSA-N 1 0 210.321 0.967 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@@H](F)C1 ZINC000451179746 202370925 /nfs/dbraw/zinc/37/09/25/202370925.db2.gz BDIYGHOOXSMSKP-RKDXNWHRSA-N 1 0 200.257 0.721 20 30 BCEDRO C=CCNC(=O)NC(=O)CN1CC[C@H](F)C1 ZINC000451185294 202373265 /nfs/dbraw/zinc/37/32/65/202373265.db2.gz LFRAZOGDADXSCY-QMMMGPOBSA-N 1 0 229.255 0.042 20 30 BCEDRO C#CCNC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000491407744 259508981 /nfs/dbraw/zinc/50/89/81/259508981.db2.gz SMNZPZULDSDGLQ-MWLCHTKSSA-N 1 0 209.293 0.246 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000612692687 360005764 /nfs/dbraw/zinc/00/57/64/360005764.db2.gz CBHFZHXTUNUIHW-QPUJVOFHSA-N 1 0 235.287 0.320 20 30 BCEDRO CC(C)(CCC#N)C[N@H+](CCO)CCCO ZINC000093324227 360230330 /nfs/dbraw/zinc/23/03/30/360230330.db2.gz CJYAROSWVGUUHA-UHFFFAOYSA-N 1 0 228.336 0.993 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000614079144 363718714 /nfs/dbraw/zinc/71/87/14/363718714.db2.gz VLPFVTOWPIVKKT-GFCCVEGCSA-N 1 0 238.331 0.524 20 30 BCEDRO N#CCCN1CCC[C@H]1C(=O)NC1CC1 ZINC000097258914 360365785 /nfs/dbraw/zinc/36/57/85/360365785.db2.gz OBTBQBPACXZFPU-JTQLQIEISA-N 1 0 207.277 0.643 20 30 BCEDRO C=CCCCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000517369733 259514800 /nfs/dbraw/zinc/51/48/00/259514800.db2.gz IDHYWCLKRDCXSI-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCCC12CC[NH+](C)CC2 ZINC000613192470 360615606 /nfs/dbraw/zinc/61/56/06/360615606.db2.gz XIDPTKQTPAPHLW-NSHDSACASA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCCOCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417968036 200824499 /nfs/dbraw/zinc/82/44/99/200824499.db2.gz WAMIOSKKPJEPTI-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO CC#CCCNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000418034791 200825807 /nfs/dbraw/zinc/82/58/07/200825807.db2.gz TYAVKDVWSLZXBV-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO CS[C@H](C)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424162140 200872821 /nfs/dbraw/zinc/87/28/21/200872821.db2.gz ZGZDXULARJSSNS-RKDXNWHRSA-N 1 0 229.349 0.875 20 30 BCEDRO C=C[C@@H](C)NC(=O)[C@@H]([NH3+])CCSC ZINC000157650164 361101446 /nfs/dbraw/zinc/10/14/46/361101446.db2.gz XDSYMUOOKYVYPS-SFYZADRCSA-N 1 0 202.323 0.758 20 30 BCEDRO C=CCn1cc(CN[C@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000424368837 200923113 /nfs/dbraw/zinc/92/31/13/200923113.db2.gz BWOMFEJVQUOGLQ-PWSUYJOCSA-N 1 0 235.335 0.681 20 30 BCEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424468785 200929317 /nfs/dbraw/zinc/92/93/17/200929317.db2.gz OOKJGQLGMUCHOJ-MMWGEVLESA-N 1 0 236.319 0.810 20 30 BCEDRO CCOC(=O)N[C@@H](CNC(=[NH2+])NC)CC(C)C ZINC000066245582 361170482 /nfs/dbraw/zinc/17/04/82/361170482.db2.gz NYVXGHQUOBEIDG-SECBINFHSA-N 1 0 244.339 0.681 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000428788391 201040971 /nfs/dbraw/zinc/04/09/71/201040971.db2.gz ZQPXQEFBQGZXTJ-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO COC(=O)CN1CC[NH+](CCCCC#N)CC1 ZINC000429675414 201124246 /nfs/dbraw/zinc/12/42/46/201124246.db2.gz GNVWSTCGHWHHHR-UHFFFAOYSA-N 1 0 239.319 0.471 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)NC1CC1 ZINC000429706675 201128116 /nfs/dbraw/zinc/12/81/16/201128116.db2.gz GXVAGHXFZUQGQI-UHFFFAOYSA-N 1 0 239.363 0.705 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)N(C)C ZINC000429724814 201128336 /nfs/dbraw/zinc/12/83/36/201128336.db2.gz XSQDREDDDVWROG-UHFFFAOYSA-N 1 0 227.352 0.514 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)N(C)C ZINC000429723245 201128709 /nfs/dbraw/zinc/12/87/09/201128709.db2.gz UQACXQLRZICYTQ-GFCCVEGCSA-N 1 0 241.379 0.903 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@H]1CCN(C)C1=O ZINC000429711936 201130385 /nfs/dbraw/zinc/13/03/85/201130385.db2.gz AHOZATPJBHIYPD-LBPRGKRZSA-N 1 0 239.363 0.657 20 30 BCEDRO C[N@H+](CCN1CCOCC1)[C@@H]1CC[C@H](C#N)C1 ZINC000448524349 201161798 /nfs/dbraw/zinc/16/17/98/201161798.db2.gz HFKUZNPWYGZEPJ-QWHCGFSZSA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000163436642 361480218 /nfs/dbraw/zinc/48/02/18/361480218.db2.gz RPRKXSRZLPDDGA-NSHDSACASA-N 1 0 212.268 0.889 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000430248498 201156585 /nfs/dbraw/zinc/15/65/85/201156585.db2.gz JSPOAHKBLNGBIJ-DGCLKSJQSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000613228149 361562362 /nfs/dbraw/zinc/56/23/62/361562362.db2.gz YACKZKPFHVGYRL-BBBLOLIVSA-N 1 0 212.293 0.084 20 30 BCEDRO COCC#CC[NH2+][C@@H](COC)[C@@H]1CCCO1 ZINC000309986783 491159425 /nfs/dbraw/zinc/15/94/25/491159425.db2.gz YRRILDRPOZMVOE-RYUDHWBXSA-N 1 0 227.304 0.420 20 30 BCEDRO CC[NH+](CC)CCNC(=O)[C@@]1(C#N)C[C@H]1C ZINC000448553179 201255262 /nfs/dbraw/zinc/25/52/62/201255262.db2.gz AULQLVMQHWJBGP-ZYHUDNBSSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCNC(=O)CN(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435249445 201260024 /nfs/dbraw/zinc/26/00/24/201260024.db2.gz UDZCVZUERWCPAS-LLVKDONJSA-N 1 0 223.320 0.115 20 30 BCEDRO C=C(C)CS(=O)(=O)N(C)CC[NH+](C)C ZINC000435431095 201271894 /nfs/dbraw/zinc/27/18/94/201271894.db2.gz GUJCTVIQJMSXMY-UHFFFAOYSA-N 1 0 220.338 0.386 20 30 BCEDRO C=CCNC(=O)CN(CC)[C@@H]1CCC[NH2+]CC1 ZINC000435631090 201278657 /nfs/dbraw/zinc/27/86/57/201278657.db2.gz ZURBHXPMLZXYKW-GFCCVEGCSA-N 1 0 239.363 0.753 20 30 BCEDRO C=CCN(CCC[NH2+]C)[C@H]1CCS(=O)(=O)C1 ZINC000435881680 201296537 /nfs/dbraw/zinc/29/65/37/201296537.db2.gz WBZWRVIVSLAIBF-NSHDSACASA-N 1 0 246.376 0.271 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000155729539 201348832 /nfs/dbraw/zinc/34/88/32/201348832.db2.gz NVLRMHXQSZHXEF-SNVBAGLBSA-N 1 0 230.333 0.023 20 30 BCEDRO CC#CCCN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000155825514 201354131 /nfs/dbraw/zinc/35/41/31/201354131.db2.gz BCCAJIPFPNEWIA-ZDUSSCGKSA-N 1 0 224.348 0.788 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCCC[NH+]1CCCC1 ZINC000448594835 201382940 /nfs/dbraw/zinc/38/29/40/201382940.db2.gz DKTJVSXQRRULET-CYBMUJFWSA-N 1 0 240.347 0.916 20 30 BCEDRO C=CCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@@H](C)COC ZINC000627252662 363879650 /nfs/dbraw/zinc/87/96/50/363879650.db2.gz BXOOXPMBLDVIFC-WDEREUQCSA-N 1 0 241.335 0.581 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@@H](C[NH+](C)C)C1 ZINC000619718085 363917048 /nfs/dbraw/zinc/91/70/48/363917048.db2.gz WBNDCBSMNQDVGQ-WDEREUQCSA-N 1 0 226.320 0.598 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@@H](C[NH+](C)C)C1 ZINC000619718084 363917267 /nfs/dbraw/zinc/91/72/67/363917267.db2.gz WBNDCBSMNQDVGQ-QWRGUYRKSA-N 1 0 226.320 0.598 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)CC[N@H+](C)C1CC1 ZINC000619721500 363935059 /nfs/dbraw/zinc/93/50/59/363935059.db2.gz UDPVDGGLYXEQRZ-LLVKDONJSA-N 1 0 226.320 0.740 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCN(CC)C[C@H]1C ZINC000614711260 363935502 /nfs/dbraw/zinc/93/55/02/363935502.db2.gz VVRGUFAXRROMCU-NXEZZACHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@@](C)(CC)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614850661 364002359 /nfs/dbraw/zinc/00/23/59/364002359.db2.gz AKZQHDJXRAFOHO-PWSUYJOCSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000614979325 364268631 /nfs/dbraw/zinc/26/86/31/364268631.db2.gz MNOMCCLDDQDJQR-JQWIXIFHSA-N 1 0 228.336 0.768 20 30 BCEDRO C=CCNC(=O)Cn1cc(C(C)(C)[NH2+]C)nn1 ZINC000630610338 364341021 /nfs/dbraw/zinc/34/10/21/364341021.db2.gz JNTJUCKWXXJGBB-UHFFFAOYSA-N 1 0 237.307 0.035 20 30 BCEDRO C=C(CC)Cn1cc(C[C@@H]([NH3+])COC)nn1 ZINC000630590318 364300501 /nfs/dbraw/zinc/30/05/01/364300501.db2.gz DEMLHGLTQQWNIE-SNVBAGLBSA-N 1 0 224.308 0.761 20 30 BCEDRO CC(C)C[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000074994103 364302247 /nfs/dbraw/zinc/30/22/47/364302247.db2.gz XDUYGITWRVHRBV-NSHDSACASA-N 1 0 223.320 0.994 20 30 BCEDRO COC[C@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000181686322 366837566 /nfs/dbraw/zinc/83/75/66/366837566.db2.gz RONNXIWGQAJICY-LBPRGKRZSA-N 1 0 247.298 0.603 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](O)CN(C)C ZINC000134919677 364419329 /nfs/dbraw/zinc/41/93/29/364419329.db2.gz MSYBUCUGMLHUSQ-GHMZBOCLSA-N 1 0 200.326 0.853 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC[C@H](O)C[N@@H+](C)CC ZINC000579489991 366830819 /nfs/dbraw/zinc/83/08/19/366830819.db2.gz JVQVSERFFVHPOS-TUAOUCFPSA-N 1 0 228.336 0.232 20 30 BCEDRO CC[C@](C)(C#N)C(=O)N(C)CC[NH+](C)C ZINC000136252664 364468061 /nfs/dbraw/zinc/46/80/61/364468061.db2.gz GJKXRLNGGBNXJT-LLVKDONJSA-N 1 0 211.309 0.946 20 30 BCEDRO C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)C[C@H]1O ZINC000356991128 366854817 /nfs/dbraw/zinc/85/48/17/366854817.db2.gz VGTZOXYIEATNID-GHMZBOCLSA-N 1 0 239.319 0.061 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000615178857 364600576 /nfs/dbraw/zinc/60/05/76/364600576.db2.gz ZCTSWOJDHSQOQA-GXSJLCMTSA-N 1 0 214.309 0.237 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000615188683 364617299 /nfs/dbraw/zinc/61/72/99/364617299.db2.gz WRYBEXHXCMTLKJ-FOGDFJRCSA-N 1 0 224.304 0.086 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615318905 364690175 /nfs/dbraw/zinc/69/01/75/364690175.db2.gz MNRLTTUVHICNED-UMNHJUIQSA-N 1 0 226.320 0.474 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COCC ZINC000566119325 364715062 /nfs/dbraw/zinc/71/50/62/364715062.db2.gz YGQCEMLVQBODNH-TUAOUCFPSA-N 1 0 229.320 0.565 20 30 BCEDRO C[NH+](C)[C@H]1CN([C@H]2CC[C@H](C#N)C2)C[C@@H]1O ZINC000573456193 364839208 /nfs/dbraw/zinc/83/92/08/364839208.db2.gz WQZJINHVVWGHCJ-BJDJZHNGSA-N 1 0 223.320 0.285 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000573484710 364844574 /nfs/dbraw/zinc/84/45/74/364844574.db2.gz HHRWHSHCXBAFBN-GMTAPVOTSA-N 1 0 215.293 0.317 20 30 BCEDRO CN(C(=O)C1(C#N)CCCC1)[C@H]1CC[NH2+]C1 ZINC000573975988 364959439 /nfs/dbraw/zinc/95/94/39/364959439.db2.gz LPJOTDMKJGMEGC-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@H]1CCNC1=O ZINC000574216881 365013331 /nfs/dbraw/zinc/01/33/31/365013331.db2.gz DMPHBSLVVJFQGN-AXFHLTTASA-N 1 0 224.304 0.446 20 30 BCEDRO CCOCCCC(=O)N[C@](C)(C#N)CN(C)C ZINC000574379983 365047291 /nfs/dbraw/zinc/04/72/91/365047291.db2.gz LHSHGIJTLGXRBP-GFCCVEGCSA-N 1 0 241.335 0.763 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CC=CCC1 ZINC000574271614 365024861 /nfs/dbraw/zinc/02/48/61/365024861.db2.gz VWZIDHWFAUWLBI-OLZOCXBDSA-N 1 0 237.347 0.891 20 30 BCEDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCCC#N ZINC000330363375 365086852 /nfs/dbraw/zinc/08/68/52/365086852.db2.gz AIXSCTTZEYWSKL-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)CSCC[NH2+]C ZINC000574754232 365134711 /nfs/dbraw/zinc/13/47/11/365134711.db2.gz PEYMNJZGNZJOCU-SNVBAGLBSA-N 1 0 243.376 0.947 20 30 BCEDRO C[C@@H]1CN(CCN2CC(C)(C#N)C2)CCO1 ZINC000574819674 365151588 /nfs/dbraw/zinc/15/15/88/365151588.db2.gz GXYFBZYJNKUPDS-LLVKDONJSA-N 1 0 223.320 0.553 20 30 BCEDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(C#N)c(C)n1 ZINC000575068352 365185511 /nfs/dbraw/zinc/18/55/11/365185511.db2.gz FHBHZGMCFCASJL-SECBINFHSA-N 1 0 246.314 0.990 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(C)C[C@@H](C)C#N ZINC000379818794 365282219 /nfs/dbraw/zinc/28/22/19/365282219.db2.gz SOZOUENHGQUOHU-QWRGUYRKSA-N 1 0 213.325 0.390 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3ccnc(C#N)n3)[C@H]2C1 ZINC000575372868 365302969 /nfs/dbraw/zinc/30/29/69/365302969.db2.gz ZSBRKLIYSKWVNF-MNOVXSKESA-N 1 0 243.314 0.879 20 30 BCEDRO N#CCc1ccc(CNC(=O)NCC[NH3+])cc1 ZINC000575985854 365436196 /nfs/dbraw/zinc/43/61/96/365436196.db2.gz ADYZYKQGHASTPP-UHFFFAOYSA-N 1 0 232.287 0.511 20 30 BCEDRO C[C@@]1(C(N)=O)CC[N@H+](CCOCCC#N)C1 ZINC000339147047 365450389 /nfs/dbraw/zinc/45/03/89/365450389.db2.gz FERWQUPFJWJJRC-LLVKDONJSA-N 1 0 225.292 0.114 20 30 BCEDRO C[C@H]1[C@H](CO)CC[N@@H+]1CCOCCC#N ZINC000339135898 365450434 /nfs/dbraw/zinc/45/04/34/365450434.db2.gz WSYHLMMXHRLLDL-QWRGUYRKSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](C#N)CCC#N ZINC000576040804 365459567 /nfs/dbraw/zinc/45/95/67/365459567.db2.gz ULIHUZFHJSAFFW-GHMZBOCLSA-N 1 0 207.277 0.957 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@]1(C)CCCO1 ZINC000340339389 365485572 /nfs/dbraw/zinc/48/55/72/365485572.db2.gz TWXGOVDBHMFYAC-JQWIXIFHSA-N 1 0 226.320 0.836 20 30 BCEDRO CC(C)(C)[NH2+]CCNc1ccnc(C#N)n1 ZINC000576122156 365494195 /nfs/dbraw/zinc/49/41/95/365494195.db2.gz XXYIMUQZUIKRGN-UHFFFAOYSA-N 1 0 219.292 0.570 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NC[C@@H](C)C#N ZINC000182682595 366929101 /nfs/dbraw/zinc/92/91/01/366929101.db2.gz LNURTVRZKVUGND-QWRGUYRKSA-N 1 0 238.335 0.930 20 30 BCEDRO CC[N@H+](CCO)Cc1cnc2c(C#N)cnn2c1 ZINC000579714719 366989360 /nfs/dbraw/zinc/98/93/60/366989360.db2.gz PAWMPRFCLSKSQR-UHFFFAOYSA-N 1 0 245.286 0.415 20 30 BCEDRO C[C@@H]1CN(c2nc3ccccn3c2C#N)C[C@@H]1[NH3+] ZINC000580764745 367160095 /nfs/dbraw/zinc/16/00/95/367160095.db2.gz INQGRIOEGDYLFK-ZJUUUORDSA-N 1 0 241.298 0.989 20 30 BCEDRO Cc1nc(C(=O)N[C@@H](C)CC[NH3+])ccc1C#N ZINC000580780835 367164122 /nfs/dbraw/zinc/16/41/22/367164122.db2.gz GDHMFTKFUSMZER-QMMMGPOBSA-N 1 0 232.287 0.729 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@H](C#N)C2)C1 ZINC000580783825 367164868 /nfs/dbraw/zinc/16/48/68/367164868.db2.gz WRTXCXZMQYHFSX-GHMZBOCLSA-N 1 0 237.303 0.079 20 30 BCEDRO N#Cc1ccc(C[N@@H+](CCO)CCCO)nc1 ZINC000581019561 367238213 /nfs/dbraw/zinc/23/82/13/367238213.db2.gz IRBHIOPFSKAGRA-UHFFFAOYSA-N 1 0 235.287 0.130 20 30 BCEDRO N#CCC[NH2+]C[C@@H](CO)Cc1cccnc1 ZINC000581191427 367289694 /nfs/dbraw/zinc/28/96/94/367289694.db2.gz ZYGBBXPVIANRCJ-LBPRGKRZSA-N 1 0 219.288 0.736 20 30 BCEDRO CC[N@H+](CCCNC(C)=O)C[C@H](C)C#N ZINC000195434897 367360620 /nfs/dbraw/zinc/36/06/20/367360620.db2.gz QORFEHPTGCKRFS-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO CC(=O)N1CC([NH2+]Cc2cc(C#N)cs2)C1 ZINC000581438920 367470911 /nfs/dbraw/zinc/47/09/11/367470911.db2.gz DSNOMBTXSUGOEL-UHFFFAOYSA-N 1 0 235.312 0.940 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000381621805 367439960 /nfs/dbraw/zinc/43/99/60/367439960.db2.gz AIFCPIJTSWVQBK-UWVGGRQHSA-N 1 0 212.293 0.527 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(C)[C@@H](C)C[NH3+] ZINC000383022613 367587053 /nfs/dbraw/zinc/58/70/53/367587053.db2.gz SMQQHUYUVVQGMB-NSHDSACASA-N 1 0 225.336 0.466 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCO[C@@H]1C ZINC000383045335 367591629 /nfs/dbraw/zinc/59/16/29/367591629.db2.gz IQLCYAUWVQVXJK-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO C=CCNC(=O)CN1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000581645577 367648776 /nfs/dbraw/zinc/64/87/76/367648776.db2.gz HYRVRXFUQKIHJQ-NWDGAFQWSA-N 1 0 237.347 0.457 20 30 BCEDRO C[C@H](O)C[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000581610422 367633112 /nfs/dbraw/zinc/63/31/12/367633112.db2.gz NDJZNKBQEICBOK-RYUDHWBXSA-N 1 0 225.336 0.677 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000385825395 367868790 /nfs/dbraw/zinc/86/87/90/367868790.db2.gz KONPVJHYNFNRHD-OLZOCXBDSA-N 1 0 249.358 0.481 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H](C)[C@@H](C)O)nn1 ZINC000581938906 367965882 /nfs/dbraw/zinc/96/58/82/367965882.db2.gz AQSFPRBYSSUXAE-RKDXNWHRSA-N 1 0 210.281 0.323 20 30 BCEDRO C[NH+](C)C(C)(C)CNC(=O)CSCC#N ZINC000042017602 368298491 /nfs/dbraw/zinc/29/84/91/368298491.db2.gz YNVXXQXHYGKXQV-UHFFFAOYSA-N 1 0 229.349 0.700 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccncc1O ZINC000566736133 326078442 /nfs/dbraw/zinc/07/84/42/326078442.db2.gz MUCPQSJAOIFGTR-QMMMGPOBSA-N 1 0 234.259 0.169 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615825834 368462452 /nfs/dbraw/zinc/46/24/52/368462452.db2.gz SZNIAXPKYKLASX-LLVKDONJSA-N 1 0 227.283 0.791 20 30 BCEDRO NC(=[NH2+])NCc1ccccc1Cn1cccn1 ZINC000057887579 368503180 /nfs/dbraw/zinc/50/31/80/368503180.db2.gz LNLHNLYSLBATLN-UHFFFAOYSA-N 1 0 229.287 0.705 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C1([NH+](C)C)CC1 ZINC000615848241 368525720 /nfs/dbraw/zinc/52/57/20/368525720.db2.gz HACUZFDEOPTJED-ZJUUUORDSA-N 1 0 224.304 0.540 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000567053034 326107690 /nfs/dbraw/zinc/10/76/90/326107690.db2.gz PELRKRGUVYJWMX-VWYCJHECSA-N 1 0 237.303 0.268 20 30 BCEDRO C=C[C@@H](O)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000615857859 368548840 /nfs/dbraw/zinc/54/88/40/368548840.db2.gz VXKKKLKDJUWIAJ-SNVBAGLBSA-N 1 0 228.336 0.770 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1C(=O)N(CC)CC ZINC000065297624 368620496 /nfs/dbraw/zinc/62/04/96/368620496.db2.gz ANTWQRQHDYVWFS-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2cc(C)on2)CC1 ZINC000065954416 368637236 /nfs/dbraw/zinc/63/72/36/368637236.db2.gz NFOPFZJHFPDEAA-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO COCCN(CC#N)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000457187604 203015988 /nfs/dbraw/zinc/01/59/88/203015988.db2.gz ZQTXSBMHZVLYQO-JTQLQIEISA-N 1 0 225.292 0.079 20 30 BCEDRO C=CC[C@H](C)NC(=O)CN1CC[NH+](CC)CC1 ZINC000073769684 368816152 /nfs/dbraw/zinc/81/61/52/368816152.db2.gz VOBYIFBKVAGGDY-LBPRGKRZSA-N 1 0 239.363 0.705 20 30 BCEDRO Cc1cn2c(n1)CN(c1cc(C#N)ncn1)CC2 ZINC000617965127 369051032 /nfs/dbraw/zinc/05/10/32/369051032.db2.gz DPEXJDRSVBRVLH-UHFFFAOYSA-N 1 0 240.270 0.873 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000618982506 369252101 /nfs/dbraw/zinc/25/21/01/369252101.db2.gz DOIMFTRMBPGZKL-RYUDHWBXSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)CC[NH+](C)C ZINC000459035438 203227111 /nfs/dbraw/zinc/22/71/11/203227111.db2.gz SZSGKHABJPEHMW-MNOVXSKESA-N 1 0 241.335 0.533 20 30 BCEDRO CC(C)(CC#N)CNC(=O)NCC[NH+]1CCC1 ZINC000459263349 203243566 /nfs/dbraw/zinc/24/35/66/203243566.db2.gz XIRZAFLSUDVNAY-UHFFFAOYSA-N 1 0 238.335 0.931 20 30 BCEDRO N#C[C@H]1CCC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000459478799 203288201 /nfs/dbraw/zinc/28/82/01/203288201.db2.gz NKJBUYYVDACGML-CHWSQXEVSA-N 1 0 237.347 0.991 20 30 BCEDRO C[C@@H]1CN(CC[NH2+][C@@H]2CCC[C@@H]2C#N)CCO1 ZINC000459489229 203292047 /nfs/dbraw/zinc/29/20/47/203292047.db2.gz XKNMMQGRCQIBKU-JHJVBQTASA-N 1 0 237.347 0.989 20 30 BCEDRO N#Cc1cncc(N2CC[NH+](CCCF)CC2)n1 ZINC000402819141 369392827 /nfs/dbraw/zinc/39/28/27/369392827.db2.gz XTGIVKJPJRBQRJ-UHFFFAOYSA-N 1 0 249.293 0.830 20 30 BCEDRO N#Cc1cncc(NCC2([NH3+])CCC2)n1 ZINC000401464384 369363786 /nfs/dbraw/zinc/36/37/86/369363786.db2.gz SVYZSXTWUAFXKC-UHFFFAOYSA-N 1 0 203.249 0.642 20 30 BCEDRO C[NH2+]C[C@@H](C)CNc1cncc(C#N)n1 ZINC000401458702 369363941 /nfs/dbraw/zinc/36/39/41/369363941.db2.gz OWFCFPACIXIVQK-MRVPVSSYSA-N 1 0 205.265 0.616 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)NCC2(CC#N)CC2)C1 ZINC000404096529 369419788 /nfs/dbraw/zinc/41/97/88/369419788.db2.gz XYGAYSKCBKDOKR-JTQLQIEISA-N 1 0 221.304 0.748 20 30 BCEDRO N#Cc1cccn(C[C@H]2CC[NH2+]C2)c1=O ZINC000214444636 369422974 /nfs/dbraw/zinc/42/29/74/369422974.db2.gz ZZKXRYBPYWYNHV-VIFPVBQESA-N 1 0 203.245 0.329 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000619568644 369481221 /nfs/dbraw/zinc/48/12/21/369481221.db2.gz NZJKQSQOASRMIL-MNOVXSKESA-N 1 0 236.319 0.636 20 30 BCEDRO CC[C@H](C#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000259966884 370959028 /nfs/dbraw/zinc/95/90/28/370959028.db2.gz LVXBENXJZVBXOZ-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000619655520 369509377 /nfs/dbraw/zinc/50/93/77/369509377.db2.gz SVGZETNBBJUKQH-BXKDBHETSA-N 1 0 244.298 0.567 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000459757730 203357960 /nfs/dbraw/zinc/35/79/60/203357960.db2.gz PPFOLNMZGMINGP-NWDGAFQWSA-N 1 0 235.287 0.400 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H]1COC[C@H]1OC ZINC000459822096 203375098 /nfs/dbraw/zinc/37/50/98/203375098.db2.gz HHRWHSHCXBAFBN-GARJFASQSA-N 1 0 215.293 0.317 20 30 BCEDRO C[NH+]1CCC(Nc2ncncc2C#N)CC1 ZINC000304488866 369519681 /nfs/dbraw/zinc/51/96/81/369519681.db2.gz PPSDYPMMBPKCFM-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000117872990 370980352 /nfs/dbraw/zinc/98/03/52/370980352.db2.gz LUWZHIKUJSWENR-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000619722078 369552539 /nfs/dbraw/zinc/55/25/39/369552539.db2.gz ZXZDOPKWXZPWJO-RYUDHWBXSA-N 1 0 240.347 0.986 20 30 BCEDRO CN(Cc1ccc(C#N)o1)[C@@H]1CC[NH2+]C1 ZINC000600768210 369562437 /nfs/dbraw/zinc/56/24/37/369562437.db2.gz FSTCQMIHIUFNNK-SECBINFHSA-N 1 0 205.261 0.945 20 30 BCEDRO N#Cc1ccc(CNC[C@@H]2C[C@H](F)C[NH2+]2)o1 ZINC000600768975 369562542 /nfs/dbraw/zinc/56/25/42/369562542.db2.gz IQVOOMVFVMPTFH-IUCAKERBSA-N 1 0 223.251 0.941 20 30 BCEDRO N#Cc1ccc(CN2CCCO[C@@H](C[NH3+])C2)o1 ZINC000600769859 369562723 /nfs/dbraw/zinc/56/27/23/369562723.db2.gz TZZFOBRSDCVEAH-LBPRGKRZSA-N 1 0 235.287 0.701 20 30 BCEDRO N#Cc1ccc(CN[C@H]2CCC[NH2+]C2)o1 ZINC000600769838 369563250 /nfs/dbraw/zinc/56/32/50/369563250.db2.gz SNKBXRAZXXBYIA-VIFPVBQESA-N 1 0 205.261 0.993 20 30 BCEDRO N#Cc1ccc(CN2CCCO[C@H](C[NH3+])C2)o1 ZINC000600769858 369563319 /nfs/dbraw/zinc/56/33/19/369563319.db2.gz TZZFOBRSDCVEAH-GFCCVEGCSA-N 1 0 235.287 0.701 20 30 BCEDRO CCOC(=O)C[C@@H](O)CN(C)C[C@H](C)C#N ZINC000250659837 369569350 /nfs/dbraw/zinc/56/93/50/369569350.db2.gz DTWCNUQPZDONGP-NXEZZACHSA-N 1 0 228.292 0.392 20 30 BCEDRO N#Cc1ccncc1N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000600883716 369570981 /nfs/dbraw/zinc/57/09/81/369570981.db2.gz AEKFDWMFNRWPLS-UWVGGRQHSA-N 1 0 200.245 0.504 20 30 BCEDRO Cc1cc(C#N)cc(N[C@@H](CO)C[NH+](C)C)n1 ZINC000601164038 369599239 /nfs/dbraw/zinc/59/92/39/369599239.db2.gz SRWPOBYUPBZXIT-LLVKDONJSA-N 1 0 234.303 0.596 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CN1Cc1ccncc1C#N ZINC000601329582 369621700 /nfs/dbraw/zinc/62/17/00/369621700.db2.gz KMWFNRCPIKLYFO-BXKDBHETSA-N 1 0 216.288 0.875 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000567988733 326292273 /nfs/dbraw/zinc/29/22/73/326292273.db2.gz NJMUIAWNUMARRG-OUAUKWLOSA-N 1 0 212.293 0.354 20 30 BCEDRO N#Cc1cc(N2CC[C@H]3CC[NH2+][C@@H]3C2)ncn1 ZINC000601980753 369730366 /nfs/dbraw/zinc/73/03/66/369730366.db2.gz OHWXBPXCOHYUFD-MWLCHTKSSA-N 1 0 229.287 0.536 20 30 BCEDRO N#Cc1nccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)n1 ZINC000601981278 369731753 /nfs/dbraw/zinc/73/17/53/369731753.db2.gz UPVNVTRJCBCWOU-VHSXEESVSA-N 1 0 229.287 0.536 20 30 BCEDRO N#Cc1cc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)ncn1 ZINC000601981833 369731858 /nfs/dbraw/zinc/73/18/58/369731858.db2.gz ZSTUOZRRNVMPNL-AOOOYVTPSA-N 1 0 229.287 0.679 20 30 BCEDRO CC1(C)C[NH2+]CC[C@H](Nc2ncncc2C#N)C1 ZINC000601985366 369732009 /nfs/dbraw/zinc/73/20/09/369732009.db2.gz UEOHNBRYQMYWPL-NSHDSACASA-N 1 0 245.330 0.960 20 30 BCEDRO N#Cc1cc(N2CCC[C@@]3(CC[NH2+]C3)C2)ncn1 ZINC000601980258 369732320 /nfs/dbraw/zinc/73/23/20/369732320.db2.gz FFVXXNJRCNNIRI-ZDUSSCGKSA-N 1 0 243.314 0.928 20 30 BCEDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)Cc1ccc(C#N)nc1 ZINC000602512560 369802487 /nfs/dbraw/zinc/80/24/87/369802487.db2.gz CHDYLOUEUAPKNZ-NXEZZACHSA-N 1 0 246.314 0.738 20 30 BCEDRO CNC(=O)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602526739 369806505 /nfs/dbraw/zinc/80/65/05/369806505.db2.gz FXSQSJRBRJSGEP-UHFFFAOYSA-N 1 0 232.287 0.569 20 30 BCEDRO COC[C@@](C)(O)C[NH2+]Cc1cccc(C#N)n1 ZINC000602568076 369814162 /nfs/dbraw/zinc/81/41/62/369814162.db2.gz VYFFXNWOKYPQKF-LBPRGKRZSA-N 1 0 235.287 0.440 20 30 BCEDRO N#Cc1cccc(C[NH2+]CC2(CO)CC2)n1 ZINC000602562382 369814986 /nfs/dbraw/zinc/81/49/86/369814986.db2.gz ALUYWDDSBSMMLY-UHFFFAOYSA-N 1 0 217.272 0.815 20 30 BCEDRO COC[C@](C)(CCO)[NH2+]Cc1cccc(C#N)n1 ZINC000602570524 369816427 /nfs/dbraw/zinc/81/64/27/369816427.db2.gz BQYYIUUSNDXXMM-ZDUSSCGKSA-N 1 0 249.314 0.830 20 30 BCEDRO COC[C@H](O)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602582304 369818856 /nfs/dbraw/zinc/81/88/56/369818856.db2.gz VUFOGCIIOSDXJI-GFCCVEGCSA-N 1 0 235.287 0.440 20 30 BCEDRO N#Cc1cccc(NC(=O)[C@H]2CCO[C@H]2C[NH3+])c1 ZINC000602605053 369826379 /nfs/dbraw/zinc/82/63/79/369826379.db2.gz SHPSGHNTXVYZNV-RYUDHWBXSA-N 1 0 245.282 0.861 20 30 BCEDRO C[N@H+](Cc1cccc(C#N)n1)C1CC(O)C1 ZINC000602612079 369827956 /nfs/dbraw/zinc/82/79/56/369827956.db2.gz GCNOWELFERBPHR-UHFFFAOYSA-N 1 0 217.272 0.908 20 30 BCEDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cccc(C#N)n1 ZINC000602640942 369833831 /nfs/dbraw/zinc/83/38/31/369833831.db2.gz SMXIENHIHBGIRB-ZWNOBZJWSA-N 1 0 247.298 0.583 20 30 BCEDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602655428 369834952 /nfs/dbraw/zinc/83/49/52/369834952.db2.gz KRTGOKXWNTZWIT-CABZTGNLSA-N 1 0 244.298 0.567 20 30 BCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)[C@H]1CC1(F)F ZINC000602655606 369835074 /nfs/dbraw/zinc/83/50/74/369835074.db2.gz QGWPQOZZRURSBN-JGVFFNPUSA-N 1 0 241.245 0.783 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)n1 ZINC000602670356 369838159 /nfs/dbraw/zinc/83/81/59/369838159.db2.gz NWCPOCCQEWECHS-OLZOCXBDSA-N 1 0 247.298 0.583 20 30 BCEDRO COC[C@](C)(O)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602676390 369838625 /nfs/dbraw/zinc/83/86/25/369838625.db2.gz ZTMKHUYNFDZOHV-CYBMUJFWSA-N 1 0 249.314 0.830 20 30 BCEDRO C[C@H](C[NH3+])N(C)C(=O)Cc1ccc(C#N)nc1 ZINC000602432931 369788666 /nfs/dbraw/zinc/78/86/66/369788666.db2.gz IPWXVICUIIFZKA-SECBINFHSA-N 1 0 232.287 0.301 20 30 BCEDRO C[C@@H](CC[NH3+])NC(=O)Cc1ccc(C#N)nc1 ZINC000602480564 369794886 /nfs/dbraw/zinc/79/48/86/369794886.db2.gz CXSOCYSLYAHTED-VIFPVBQESA-N 1 0 232.287 0.349 20 30 BCEDRO C[C@@H](CCC[NH3+])NC(=O)Cc1ccc(C#N)nc1 ZINC000602493659 369795588 /nfs/dbraw/zinc/79/55/88/369795588.db2.gz DCURPRIVUQYFSO-JTQLQIEISA-N 1 0 246.314 0.739 20 30 BCEDRO C[C@@H](NC(=O)Cc1ccc(C#N)nc1)[C@H](C)[NH3+] ZINC000602496686 369796033 /nfs/dbraw/zinc/79/60/33/369796033.db2.gz UOLOOOCAHUZCDX-DTWKUNHWSA-N 1 0 232.287 0.348 20 30 BCEDRO CC[C@@H]([NH3+])CNC(=O)Cc1ccc(C#N)nc1 ZINC000602493451 369796067 /nfs/dbraw/zinc/79/60/67/369796067.db2.gz ALYIJAPXIRUSRT-SNVBAGLBSA-N 1 0 232.287 0.349 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCNC(=O)C2CC2)n1 ZINC000602506055 369797766 /nfs/dbraw/zinc/79/77/66/369797766.db2.gz ZUZCXPUZNOTABI-UHFFFAOYSA-N 1 0 244.298 0.569 20 30 BCEDRO CC[C@@H](CO)[NH2+]Cc1cccc(C#N)n1 ZINC000602503218 369797942 /nfs/dbraw/zinc/79/79/42/369797942.db2.gz OVZNARIPWWBJKV-VIFPVBQESA-N 1 0 205.261 0.814 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)n1 ZINC000602700713 369844881 /nfs/dbraw/zinc/84/48/81/369844881.db2.gz VROXVGJROVQBAH-DKTWLAJQSA-N 1 0 230.271 0.307 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2CCC[C@@H]2O)n1 ZINC000602743205 369848592 /nfs/dbraw/zinc/84/85/92/369848592.db2.gz RAJCFFRLYNQCAG-RYUDHWBXSA-N 1 0 217.272 0.956 20 30 BCEDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000602896669 369860977 /nfs/dbraw/zinc/86/09/77/369860977.db2.gz GFCGABANEQUSDC-KGLIPLIRSA-N 1 0 246.310 0.876 20 30 BCEDRO C[N@@H+]1CCN(Cc2ccnc(C#N)c2)[C@H](CO)C1 ZINC000602903049 369862521 /nfs/dbraw/zinc/86/25/21/369862521.db2.gz APCJPVYHLDSDFP-ZDUSSCGKSA-N 1 0 246.314 0.062 20 30 BCEDRO C[NH2+]Cc1cn(Cc2ccccc2C#N)nn1 ZINC000603173741 369895292 /nfs/dbraw/zinc/89/52/92/369895292.db2.gz PDKBMRRVMBOODD-UHFFFAOYSA-N 1 0 227.271 0.917 20 30 BCEDRO N#Cc1cc(Cn2cc(CCC[NH3+])nn2)ccn1 ZINC000603224082 369899725 /nfs/dbraw/zinc/89/97/25/369899725.db2.gz WESRRPQBFOMPNX-UHFFFAOYSA-N 1 0 242.286 0.484 20 30 BCEDRO CC(=O)N[C@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602699842 369842643 /nfs/dbraw/zinc/84/26/43/369842643.db2.gz SEDDEHDBMPSYQX-ZDUSSCGKSA-N 1 0 244.298 0.664 20 30 BCEDRO N#Cc1cccc(C[NH2+]CC[C@@]2(O)CCOC2)n1 ZINC000602699243 369843124 /nfs/dbraw/zinc/84/31/24/369843124.db2.gz OHMGCUMQTVTQKV-CYBMUJFWSA-N 1 0 247.298 0.584 20 30 BCEDRO N#Cc1cncc(NC[C@H]2CSCC[NH2+]2)n1 ZINC000603418291 369960296 /nfs/dbraw/zinc/96/02/96/369960296.db2.gz FSHPOHFPOMOMDU-VIFPVBQESA-N 1 0 235.316 0.465 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000620590471 369942177 /nfs/dbraw/zinc/94/21/77/369942177.db2.gz AIZXZPBIKMUORN-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C[C@H](CO)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000620590868 369943593 /nfs/dbraw/zinc/94/35/93/369943593.db2.gz CSLYVEOWTLDRHL-LLVKDONJSA-N 1 0 249.314 0.571 20 30 BCEDRO Cc1cc(NC[C@@H]2C[NH2+]CCN2C)cc(C#N)n1 ZINC000308246727 370115866 /nfs/dbraw/zinc/11/58/66/370115866.db2.gz YPIAHDIEVUOIST-ZDUSSCGKSA-N 1 0 245.330 0.577 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CCC[N@@H+](CC)CC1 ZINC000307818825 370049713 /nfs/dbraw/zinc/04/97/13/370049713.db2.gz NIKZTADZNXMJBK-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000063093058 370129952 /nfs/dbraw/zinc/12/99/52/370129952.db2.gz OEHHNIYUIFEAON-UWVGGRQHSA-N 1 0 209.293 0.889 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2CCNC2=O)cc1 ZINC000309566063 370231007 /nfs/dbraw/zinc/23/10/07/370231007.db2.gz KWYCEAPYTSPRPN-NSHDSACASA-N 1 0 215.256 0.536 20 30 BCEDRO Cc1nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)ccc1C#N ZINC000310382089 370341407 /nfs/dbraw/zinc/34/14/07/370341407.db2.gz PQYSBAHAUORXDC-RYUDHWBXSA-N 1 0 228.299 0.917 20 30 BCEDRO N#Cc1cc(N2CCC[C@@H](CC[NH3+])C2)ncn1 ZINC000310381595 370341420 /nfs/dbraw/zinc/34/14/20/370341420.db2.gz PPLOWBFFUJJQJN-JTQLQIEISA-N 1 0 231.303 0.913 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC1CC1 ZINC000077194740 370399611 /nfs/dbraw/zinc/39/96/11/370399611.db2.gz JBDIVHMUVKZLJF-SECBINFHSA-N 1 0 239.319 0.729 20 30 BCEDRO C=CCOCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621689199 370437881 /nfs/dbraw/zinc/43/78/81/370437881.db2.gz DVQYQKWEACBJBS-PWSUYJOCSA-N 1 0 224.304 0.529 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621779580 370529345 /nfs/dbraw/zinc/52/93/45/370529345.db2.gz GUOXPXUMTAFMBG-LOWVWBTDSA-N 1 0 237.347 0.490 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)c1cccc(C#N)c1 ZINC000082584520 371012639 /nfs/dbraw/zinc/01/26/39/371012639.db2.gz GKCYJDKZVZBGFO-MRVPVSSYSA-N 1 0 203.245 0.635 20 30 BCEDRO C[N@H+](CCNc1ccncc1C#N)C1CC1 ZINC000390484765 371206353 /nfs/dbraw/zinc/20/63/53/371206353.db2.gz OEIQYYXVRBSIQD-UHFFFAOYSA-N 1 0 216.288 0.881 20 30 BCEDRO N#Cc1nccc(NCC[NH+]2CCCC2)n1 ZINC000390559459 371215485 /nfs/dbraw/zinc/21/54/85/371215485.db2.gz JPXSNBILZDAWPO-UHFFFAOYSA-N 1 0 217.276 0.278 20 30 BCEDRO C=CCCCCCN(C)c1nc(N)[nH+]c(N)n1 ZINC000623987520 371221176 /nfs/dbraw/zinc/22/11/76/371221176.db2.gz BYJOFDSQJJHHKM-UHFFFAOYSA-N 1 0 236.323 0.879 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNc1ccncc1C#N ZINC000390662407 371225626 /nfs/dbraw/zinc/22/56/26/371225626.db2.gz SOMKJYXZSGLZOO-NSHDSACASA-N 1 0 216.288 0.881 20 30 BCEDRO CC(=O)NCC[NH2+]Cc1ccc(C#N)cc1 ZINC000020148869 371236590 /nfs/dbraw/zinc/23/65/90/371236590.db2.gz OXKMICJURUDKCM-UHFFFAOYSA-N 1 0 217.272 0.784 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC[N@H+]1CC=CCC1 ZINC000392870397 371469463 /nfs/dbraw/zinc/46/94/63/371469463.db2.gz IRQTVBMUTOGQMB-NSHDSACASA-N 1 0 221.304 0.914 20 30 BCEDRO N#Cc1csc(C[NH2+][C@H]2COC[C@H]2O)c1 ZINC000134220899 372183070 /nfs/dbraw/zinc/18/30/70/372183070.db2.gz BAWAPHXRONIZPY-VHSXEESVSA-N 1 0 224.285 0.469 20 30 BCEDRO C=CCN1CC[C@@H](N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000631852181 372651155 /nfs/dbraw/zinc/65/11/55/372651155.db2.gz FXDXKDBTRVKXPH-GRYCIOLGSA-N 1 0 235.331 0.210 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000631888398 372682807 /nfs/dbraw/zinc/68/28/07/372682807.db2.gz YPBWVCHGCUDRMO-NWDGAFQWSA-N 1 0 237.347 0.363 20 30 BCEDRO C=CC[C@@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000631981732 372713949 /nfs/dbraw/zinc/71/39/49/372713949.db2.gz DHAXGDWUIMMKJG-SNVBAGLBSA-N 1 0 234.365 0.822 20 30 BCEDRO C=C1CC(C)(C(=O)NCC[N@@H+]2CC[C@H](O)C2)C1 ZINC000633698747 373694886 /nfs/dbraw/zinc/69/48/86/373694886.db2.gz MSTSTYNMHKWQDX-NSHDSACASA-N 1 0 238.331 0.526 20 30 BCEDRO CC#CCN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189896072 206015917 /nfs/dbraw/zinc/01/59/17/206015917.db2.gz RIJOMGPEQBCETN-GFCCVEGCSA-N 1 0 224.348 0.787 20 30 BCEDRO CN(CC1CC1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424090116 206029030 /nfs/dbraw/zinc/02/90/30/206029030.db2.gz KAACGTQVETXMPR-JTQLQIEISA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCCS(=O)(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000440440268 206078553 /nfs/dbraw/zinc/07/85/53/206078553.db2.gz FLCZCFQGVPXVIS-NSHDSACASA-N 1 0 244.360 0.719 20 30 BCEDRO CCOC(=O)COCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000459492121 206131878 /nfs/dbraw/zinc/13/18/78/206131878.db2.gz ZSOGHSSXYBZQCN-QWRGUYRKSA-N 1 0 240.303 0.848 20 30 BCEDRO CNC(=[NH2+])N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000179103224 134317646 /nfs/dbraw/zinc/31/76/46/134317646.db2.gz DPTIRZNDKBSTFW-MRVPVSSYSA-N 1 0 227.308 0.595 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CC(N)=O ZINC000308654652 383879473 /nfs/dbraw/zinc/87/94/73/383879473.db2.gz NHBQBCXJHBXKSW-RKDXNWHRSA-N 1 0 200.282 0.025 20 30 BCEDRO C[N@H+](CCC(N)=O)C[C@@H](O)c1ccc(C#N)cc1 ZINC000286615818 383903120 /nfs/dbraw/zinc/90/31/20/383903120.db2.gz XIMYWBIVQCKAQJ-GFCCVEGCSA-N 1 0 247.298 0.399 20 30 BCEDRO C=C(C)COCC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000163591210 383994687 /nfs/dbraw/zinc/99/46/87/383994687.db2.gz LYLZDPZWENFBMK-CHWSQXEVSA-N 1 0 242.363 0.936 20 30 BCEDRO C[NH+](C)CCNS(=O)(=O)CC(C)(C)CC#N ZINC000332429574 383950142 /nfs/dbraw/zinc/95/01/42/383950142.db2.gz BEDFAXMXQRBXTF-UHFFFAOYSA-N 1 0 247.364 0.407 20 30 BCEDRO C=C[C@@H](CO)Nc1cc(NC[C@H](C)O)ncn1 ZINC000298848186 384024023 /nfs/dbraw/zinc/02/40/23/384024023.db2.gz IWKPVRYJDVVLNJ-IUCAKERBSA-N 1 0 238.291 0.228 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC000285571914 384014741 /nfs/dbraw/zinc/01/47/41/384014741.db2.gz SNMAUFRZCJOUGA-MRVPVSSYSA-N 1 0 205.265 0.538 20 30 BCEDRO CC(C)C(=O)NCC[NH2+]C[C@H](C#N)CCC#N ZINC000558482880 384031909 /nfs/dbraw/zinc/03/19/09/384031909.db2.gz ARCSDQGDDZHFAS-NSHDSACASA-N 1 0 236.319 0.792 20 30 BCEDRO CSC1(C[NH2+]CCn2cnc(C#N)n2)CC1 ZINC000289228849 384057586 /nfs/dbraw/zinc/05/75/86/384057586.db2.gz CXGHVZAYCXRYOP-UHFFFAOYSA-N 1 0 237.332 0.635 20 30 BCEDRO C#CCCC[N@@H+]1C[C@@H](C)O[C@@H](C(=O)OC)C1 ZINC000282365779 533035393 /nfs/dbraw/zinc/03/53/93/533035393.db2.gz DOQFAEJLNWLWBW-GHMZBOCLSA-N 1 0 225.288 0.662 20 30 BCEDRO N#CCCN1CCN(Cc2ncc[nH]2)CC1 ZINC000330363720 384149597 /nfs/dbraw/zinc/14/95/97/384149597.db2.gz QEKABOLKNZMAIX-UHFFFAOYSA-N 1 0 219.292 0.441 20 30 BCEDRO C#CCCC[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375496830 533036156 /nfs/dbraw/zinc/03/61/56/533036156.db2.gz GGMZCKVWCUYFTR-RKDXNWHRSA-N 1 0 248.248 0.995 20 30 BCEDRO NC(=[NH2+])Nc1nc(C2CCOCC2)cs1 ZINC000092196838 384166512 /nfs/dbraw/zinc/16/65/12/384166512.db2.gz JBYGMJPRHHIUKC-UHFFFAOYSA-N 1 0 226.305 0.942 20 30 BCEDRO COC(=O)[C@@](C)(O)C[NH+]1CCC(C#N)CC1 ZINC000408384402 384179250 /nfs/dbraw/zinc/17/92/50/384179250.db2.gz ZHVYAJAGGNFFLJ-NSHDSACASA-N 1 0 226.276 0.146 20 30 BCEDRO C[C@H](CS(C)(=O)=O)[NH2+]CCCC#N ZINC000081903692 384214973 /nfs/dbraw/zinc/21/49/73/384214973.db2.gz GYHXGRGBNXVONT-MRVPVSSYSA-N 1 0 204.295 0.313 20 30 BCEDRO CCCCNC(=[NH2+])NCc1ncn(C)n1 ZINC000132392652 384227373 /nfs/dbraw/zinc/22/73/73/384227373.db2.gz SXAQHJHXUFSOJR-UHFFFAOYSA-N 1 0 210.285 0.020 20 30 BCEDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(C#N)o1 ZINC000336653820 384245788 /nfs/dbraw/zinc/24/57/88/384245788.db2.gz GKZOGBLLESYHCD-MRVPVSSYSA-N 1 0 221.260 0.831 20 30 BCEDRO C[NH+](C)CCCNc1nccnc1C#N ZINC000054377130 384273237 /nfs/dbraw/zinc/27/32/37/384273237.db2.gz KOXMNJVUPDIPPY-UHFFFAOYSA-N 1 0 205.265 0.712 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](C(=O)N2CCCC2)C1 ZINC000490650572 384297586 /nfs/dbraw/zinc/29/75/86/384297586.db2.gz NZEXXVGQVWHSCX-GFCCVEGCSA-N 1 0 220.316 0.954 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCO1 ZINC000035247636 384299883 /nfs/dbraw/zinc/29/98/83/384299883.db2.gz NBVCAOUGCXJGEQ-OUAUKWLOSA-N 1 0 226.320 0.834 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CC(N)=O ZINC000308654650 384347379 /nfs/dbraw/zinc/34/73/79/384347379.db2.gz NHBQBCXJHBXKSW-DTWKUNHWSA-N 1 0 200.282 0.025 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000334952364 384393340 /nfs/dbraw/zinc/39/33/40/384393340.db2.gz NBLXPZGJWZGNSC-QWRGUYRKSA-N 1 0 223.320 0.921 20 30 BCEDRO C=CCOc1ccccc1CNC(=O)C[NH3+] ZINC000159677451 384451521 /nfs/dbraw/zinc/45/15/21/384451521.db2.gz QWJFOIXQDMBMCF-UHFFFAOYSA-N 1 0 220.272 0.826 20 30 BCEDRO CC(C)(C#N)CNC[C@H](O)C[NH+]1CCCC1 ZINC000600738415 384430817 /nfs/dbraw/zinc/43/08/17/384430817.db2.gz ZYFZODKWSPPATO-NSHDSACASA-N 1 0 225.336 0.582 20 30 BCEDRO C#CCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000367481313 533066246 /nfs/dbraw/zinc/06/62/46/533066246.db2.gz SQBLCNDUOWZXLY-LLVKDONJSA-N 1 0 224.304 0.235 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000556740545 384468865 /nfs/dbraw/zinc/46/88/65/384468865.db2.gz AYPPFABAIPZYOD-GARJFASQSA-N 1 0 238.335 0.880 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)COCc1ccccc1 ZINC000565598794 384503362 /nfs/dbraw/zinc/50/33/62/384503362.db2.gz YFHABUIYYLJIBE-AWEZNQCLSA-N 1 0 249.310 0.149 20 30 BCEDRO C#CCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000308952004 533069063 /nfs/dbraw/zinc/06/90/63/533069063.db2.gz VMPCIUVXXGGRLU-PWSUYJOCSA-N 1 0 206.289 0.657 20 30 BCEDRO C#CCC[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000282929148 533069239 /nfs/dbraw/zinc/06/92/39/533069239.db2.gz YWBBYPSNKGKLAF-JTQLQIEISA-N 1 0 206.289 0.801 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249787248 384522594 /nfs/dbraw/zinc/52/25/94/384522594.db2.gz MJWLQJVBHRNZRC-AEJSXWLSSA-N 1 0 227.308 0.105 20 30 BCEDRO CN(C(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12)C1CC1 ZINC000249767108 384522817 /nfs/dbraw/zinc/52/28/17/384522817.db2.gz IPYCPMBXHRTNMK-HBNTYKKESA-N 1 0 223.320 0.963 20 30 BCEDRO C=CCOCCCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000236672295 384549091 /nfs/dbraw/zinc/54/90/91/384549091.db2.gz DCFVJJIOUKHCDF-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)CC ZINC000102705255 384573578 /nfs/dbraw/zinc/57/35/78/384573578.db2.gz RDYCWUSGKJIKID-VIFPVBQESA-N 1 0 227.308 0.729 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491382173 384617264 /nfs/dbraw/zinc/61/72/64/384617264.db2.gz HSASIPVLDBYXHP-WDEREUQCSA-N 1 0 235.331 0.886 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(c3cncc(C#N)n3)C[C@H]21 ZINC000401259056 384631173 /nfs/dbraw/zinc/63/11/73/384631173.db2.gz MZYHATOYEFSJFK-IAZYJMLFSA-N 1 0 229.287 0.344 20 30 BCEDRO CO[C@H]1C[C@@H](C(=O)N(C)[C@@H](C)CC#N)[N@H+](C)C1 ZINC000408042880 384723825 /nfs/dbraw/zinc/72/38/25/384723825.db2.gz UTDSYDHERGAIOM-DCAQKATOSA-N 1 0 239.319 0.466 20 30 BCEDRO Cn1cc(CCNC(=[NH2+])NC(C)(C)C)cn1 ZINC000082431784 384682709 /nfs/dbraw/zinc/68/27/09/384682709.db2.gz OXBKXIXANYOQBC-UHFFFAOYSA-N 1 0 223.324 0.665 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)C(F)F)C1 ZINC000336660257 384687725 /nfs/dbraw/zinc/68/77/25/384687725.db2.gz RMBYETAIVIEPBH-PRJMDXOYSA-N 1 0 204.220 0.894 20 30 BCEDRO CC#CCN(C)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000647540829 384693198 /nfs/dbraw/zinc/69/31/98/384693198.db2.gz BNXBYFCWOWYLFC-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCC(=O)OCC ZINC000050067356 384694671 /nfs/dbraw/zinc/69/46/71/384694671.db2.gz YKPQMLNWWMOAJY-SNVBAGLBSA-N 1 0 240.303 0.009 20 30 BCEDRO COCCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000550153566 384698150 /nfs/dbraw/zinc/69/81/50/384698150.db2.gz SIOVJMIANTXFQN-UHFFFAOYSA-N 1 0 245.286 0.727 20 30 BCEDRO CC1(C)CCC[C@H]1[NH2+]CC(=O)NCC#N ZINC000086874288 384713088 /nfs/dbraw/zinc/71/30/88/384713088.db2.gz VCEHWCTXCIFSAQ-SECBINFHSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCCOCC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000643601908 384713786 /nfs/dbraw/zinc/71/37/86/384713786.db2.gz RBCGDYJRLCBIPR-NSHDSACASA-N 1 0 226.320 0.775 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000071272258 384778574 /nfs/dbraw/zinc/77/85/74/384778574.db2.gz SJKOVFUHBXAORA-LLVKDONJSA-N 1 0 238.262 0.794 20 30 BCEDRO CN1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCC1=O ZINC000309960838 384740595 /nfs/dbraw/zinc/74/05/95/384740595.db2.gz LAWNDFIWVDTRFR-HBNTYKKESA-N 1 0 221.304 0.889 20 30 BCEDRO CN(CCC#N)C[C@H](O)Cn1cccn1 ZINC000083218994 384751792 /nfs/dbraw/zinc/75/17/92/384751792.db2.gz BGNJLFDVYOILFI-JTQLQIEISA-N 1 0 208.265 0.089 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000644198100 384753042 /nfs/dbraw/zinc/75/30/42/384753042.db2.gz JTYBZGRANSVAHC-GHMZBOCLSA-N 1 0 241.335 0.758 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000309982418 384759457 /nfs/dbraw/zinc/75/94/57/384759457.db2.gz WUHZYYNXMVOFMN-VXGBXAGGSA-N 1 0 228.336 0.234 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1cnn(C)c1 ZINC000320159527 384760262 /nfs/dbraw/zinc/76/02/62/384760262.db2.gz AQIAAEWICFERCC-LLVKDONJSA-N 1 0 209.293 0.837 20 30 BCEDRO N#CCN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000363638265 384764543 /nfs/dbraw/zinc/76/45/43/384764543.db2.gz QNCRNDUMENAKIS-RYUDHWBXSA-N 1 0 223.320 0.431 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644302816 384817318 /nfs/dbraw/zinc/81/73/18/384817318.db2.gz SSHQHUOHVXYXAL-WDEREUQCSA-N 1 0 244.360 0.528 20 30 BCEDRO C=CCOCCCC(=O)N[C@@H]1CC[NH2+]C1 ZINC000126913865 384828185 /nfs/dbraw/zinc/82/81/85/384828185.db2.gz VUOFYQSFPMNRFJ-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCOCCCC(=O)N[C@H]1CC[NH2+]C1 ZINC000126914152 384828965 /nfs/dbraw/zinc/82/89/65/384828965.db2.gz VUOFYQSFPMNRFJ-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(COC)C1 ZINC000491806829 384781225 /nfs/dbraw/zinc/78/12/25/384781225.db2.gz RPDOBZKLFBTHSJ-AAEUAGOBSA-N 1 0 238.331 0.483 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])nn1 ZINC000648191081 384805168 /nfs/dbraw/zinc/80/51/68/384805168.db2.gz UHCNJIDQRZKPIS-BDAKNGLRSA-N 1 0 237.307 0.320 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644298929 384809023 /nfs/dbraw/zinc/80/90/23/384809023.db2.gz IBOMUXZOTMLFDY-WDEREUQCSA-N 1 0 244.360 0.528 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188372529 384880380 /nfs/dbraw/zinc/88/03/80/384880380.db2.gz XJCODZBMWZPKNT-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CO)CC1 ZINC000339753759 384882174 /nfs/dbraw/zinc/88/21/74/384882174.db2.gz VAYQSZZMENVWSI-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@@H](C)C[NH2+]C ZINC000491430662 384839651 /nfs/dbraw/zinc/83/96/51/384839651.db2.gz ZDNGYICREIBWAU-JTQLQIEISA-N 1 0 211.309 0.507 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)OC ZINC000297640374 384861819 /nfs/dbraw/zinc/86/18/19/384861819.db2.gz ZBEXRJGRBYEELT-NSHDSACASA-N 1 0 241.335 0.276 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CC(C)(C)O ZINC000293919451 533098439 /nfs/dbraw/zinc/09/84/39/533098439.db2.gz GTIZXFALLBWLDR-UHFFFAOYSA-N 1 0 226.320 0.219 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC000181255830 384967113 /nfs/dbraw/zinc/96/71/13/384967113.db2.gz IEITXQYEWQGFMJ-UHFFFAOYSA-N 1 0 220.276 0.568 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000245401180 384971113 /nfs/dbraw/zinc/97/11/13/384971113.db2.gz DKGTYJBZPCKPQY-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO CC#CCC[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000156850681 384988651 /nfs/dbraw/zinc/98/86/51/384988651.db2.gz ZXSBYCPSVGCADY-JTQLQIEISA-N 1 0 230.333 0.023 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000557506298 384988967 /nfs/dbraw/zinc/98/89/67/384988967.db2.gz RNHWUDORLPQWQK-WDEREUQCSA-N 1 0 226.320 0.601 20 30 BCEDRO CN(CC#N)CC[N@H+](C)C1CCN(C)CC1 ZINC000177379530 384989841 /nfs/dbraw/zinc/98/98/41/384989841.db2.gz ASIQEDUALJJJHW-UHFFFAOYSA-N 1 0 224.352 0.468 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000518370434 384991417 /nfs/dbraw/zinc/99/14/17/384991417.db2.gz BMRGZVREWTVYSQ-OUAUKWLOSA-N 1 0 243.351 0.739 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H]1CCN(CCOC)C1 ZINC000309982416 384996770 /nfs/dbraw/zinc/99/67/70/384996770.db2.gz WUHZYYNXMVOFMN-NWDGAFQWSA-N 1 0 228.336 0.234 20 30 BCEDRO CCCOc1ccc(CNC(=[NH2+])NC)cn1 ZINC000107884728 385004447 /nfs/dbraw/zinc/00/44/47/385004447.db2.gz WJHFPHKTYOKYRM-UHFFFAOYSA-N 1 0 222.292 0.905 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@H](C)O ZINC000245902774 385082119 /nfs/dbraw/zinc/08/21/19/385082119.db2.gz UIEQDWFIAUVOKS-NWDGAFQWSA-N 1 0 240.347 0.888 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)COCC ZINC000644638612 385041167 /nfs/dbraw/zinc/04/11/67/385041167.db2.gz ZUAWOJLAGWECQU-AGIUHOORSA-N 1 0 243.347 0.955 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NCC=C ZINC000296054568 533103922 /nfs/dbraw/zinc/10/39/22/533103922.db2.gz BYSZFDAKHHZZIE-UHFFFAOYSA-N 1 0 209.293 0.427 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(C#N)ccn1 ZINC000287229222 385087040 /nfs/dbraw/zinc/08/70/40/385087040.db2.gz PFDDFFBRTRIWER-VIFPVBQESA-N 1 0 232.287 0.633 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCCCCO ZINC000227114567 385088553 /nfs/dbraw/zinc/08/85/53/385088553.db2.gz NWFYGOGEGXGEEZ-NSHDSACASA-N 1 0 226.320 0.219 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cn[nH]c1 ZINC000294066614 533106505 /nfs/dbraw/zinc/10/65/05/533106505.db2.gz VNKBGIWWKFPNJQ-UHFFFAOYSA-N 1 0 220.276 0.095 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000157361708 385150198 /nfs/dbraw/zinc/15/01/98/385150198.db2.gz SAKRWOMKZLNADX-JHJVBQTASA-N 1 0 243.347 0.785 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cccnc1F ZINC000293987833 533107304 /nfs/dbraw/zinc/10/73/04/533107304.db2.gz NMCFZWYKRAQEGE-UHFFFAOYSA-N 1 0 249.289 0.906 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000647035642 385170216 /nfs/dbraw/zinc/17/02/16/385170216.db2.gz WSYSJYBDGADBOO-UWVGGRQHSA-N 1 0 230.283 0.347 20 30 BCEDRO Cc1cc(C#N)nc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000287620668 385208761 /nfs/dbraw/zinc/20/87/61/385208761.db2.gz GQQDDFJIQMLKKZ-PHIMTYICSA-N 1 0 243.314 0.655 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1cn(C)nn1 ZINC000308867619 385225281 /nfs/dbraw/zinc/22/52/81/385225281.db2.gz GWGIPXYEQVVGFU-VIFPVBQESA-N 1 0 210.281 0.089 20 30 BCEDRO CC[C@@H](C(=O)Nc1n[nH]c(C)c1C#N)[NH+](C)C ZINC000287748857 385228621 /nfs/dbraw/zinc/22/86/21/385228621.db2.gz CSONNCVZLKFXOL-VIFPVBQESA-N 1 0 235.291 0.869 20 30 BCEDRO C=CCCOCC(=O)NC(C)(C)CC[NH3+] ZINC000643608483 385240665 /nfs/dbraw/zinc/24/06/65/385240665.db2.gz KGPLWXIWCUZKNT-UHFFFAOYSA-N 1 0 214.309 0.823 20 30 BCEDRO CC[N@H+](CCC(=O)NC(N)=O)C[C@@H](C)C#N ZINC000157649657 385245446 /nfs/dbraw/zinc/24/54/46/385245446.db2.gz TVYKIZYXXGAARW-QMMMGPOBSA-N 1 0 226.280 0.053 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1cc(C#N)c[nH]1 ZINC000177458194 385246337 /nfs/dbraw/zinc/24/63/37/385246337.db2.gz MFKNSYPWUZRJJT-UHFFFAOYSA-N 1 0 220.276 0.568 20 30 BCEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CCC[C@H](CC)C2)C1=O ZINC000491255836 385258281 /nfs/dbraw/zinc/25/82/81/385258281.db2.gz YEVBFINUDZRBJB-RYUDHWBXSA-N 1 0 248.326 0.869 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@H](CC)C2)C1=O ZINC000491255835 385258363 /nfs/dbraw/zinc/25/83/63/385258363.db2.gz YEVBFINUDZRBJB-NWDGAFQWSA-N 1 0 248.326 0.869 20 30 BCEDRO N#C[C@@H]1CCC[C@H]1[NH2+]CCn1cncn1 ZINC000330363603 385258811 /nfs/dbraw/zinc/25/88/11/385258811.db2.gz LLYDPRNNAFZIQM-VHSXEESVSA-N 1 0 205.265 0.560 20 30 BCEDRO COCC#CCN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000644730654 385259437 /nfs/dbraw/zinc/25/94/37/385259437.db2.gz CBUVULPQUSHABJ-RYUDHWBXSA-N 1 0 208.305 0.272 20 30 BCEDRO C=CCCOCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000647095681 385267874 /nfs/dbraw/zinc/26/78/74/385267874.db2.gz QELJXYSFAGYGMF-UHFFFAOYSA-N 1 0 238.331 0.934 20 30 BCEDRO C[C@H]1CN(CCC#N)CC[N@@H+]1CC(C)(C)O ZINC000408441749 385295262 /nfs/dbraw/zinc/29/52/62/385295262.db2.gz GJDOSNJNRXGGQE-NSHDSACASA-N 1 0 225.336 0.677 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)CC1CC1 ZINC000157927288 385301527 /nfs/dbraw/zinc/30/15/27/385301527.db2.gz FVHIOEWJJFLJPM-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCCOCC(=O)N1CC[NH2+]CC1(C)C ZINC000644075919 385424539 /nfs/dbraw/zinc/42/45/39/385424539.db2.gz QUCBIRCRUXERTQ-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1ncc(C)n1C ZINC000309167494 385446178 /nfs/dbraw/zinc/44/61/78/385446178.db2.gz JSHZGKHZVQUJAB-JTQLQIEISA-N 1 0 209.293 0.755 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1cc(C)no1 ZINC000170911937 385456116 /nfs/dbraw/zinc/45/61/16/385456116.db2.gz QCPVZUVMZGTENS-MRVPVSSYSA-N 1 0 226.280 0.422 20 30 BCEDRO CN(C)C(=[NH2+])NCC(=O)Nc1cccc(F)c1 ZINC000170912587 385456706 /nfs/dbraw/zinc/45/67/06/385456706.db2.gz BFHVMRBCZVHADA-UHFFFAOYSA-N 1 0 238.266 0.641 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000309121509 385426966 /nfs/dbraw/zinc/42/69/66/385426966.db2.gz OASDTGZQZOBQDU-MXWKQRLJSA-N 1 0 210.321 0.748 20 30 BCEDRO C#CC[NH+](CC#C)CCCn1ccnc1 ZINC000182804659 533119404 /nfs/dbraw/zinc/11/94/04/533119404.db2.gz FKPSPYJWSYMPSB-UHFFFAOYSA-N 1 0 201.273 0.842 20 30 BCEDRO C#C[C@H]1COCCN1CC[C@@H]1CCCO1 ZINC000491371132 385430948 /nfs/dbraw/zinc/43/09/48/385430948.db2.gz CSGVUDDKRZEXSS-RYUDHWBXSA-N 1 0 209.289 0.890 20 30 BCEDRO C[C@@H](CNC(=O)c1cnn(C)c1C#N)C[NH+](C)C ZINC000341289089 385481820 /nfs/dbraw/zinc/48/18/20/385481820.db2.gz OOONYRXCLLJJED-VIFPVBQESA-N 1 0 249.318 0.219 20 30 BCEDRO C[NH+]=C(NCCCc1c[nH]nc1C)NC1CC1 ZINC000171411998 385482599 /nfs/dbraw/zinc/48/25/99/385482599.db2.gz PSMCBYTXJMFGKR-UHFFFAOYSA-N 1 0 235.335 0.978 20 30 BCEDRO C[C@@H](CNC(=O)c1ccc(C#N)nc1)C[NH+](C)C ZINC000341301633 385490786 /nfs/dbraw/zinc/49/07/86/385490786.db2.gz YKQVGHYOQYZDMI-JTQLQIEISA-N 1 0 246.314 0.881 20 30 BCEDRO C=CCOCC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000644128068 385508499 /nfs/dbraw/zinc/50/84/99/385508499.db2.gz FFLDKDNQPTXCQN-CYBMUJFWSA-N 1 0 238.331 0.791 20 30 BCEDRO COC(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000564344614 385535156 /nfs/dbraw/zinc/53/51/56/385535156.db2.gz SMWXDWGZWYMCRS-LLVKDONJSA-N 1 0 245.282 0.948 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000644142932 385526375 /nfs/dbraw/zinc/52/63/75/385526375.db2.gz PXAKHHGINMACQQ-UWVGGRQHSA-N 1 0 230.283 0.395 20 30 BCEDRO C[N@H+](CCOc1ccccc1C#N)CCC(N)=O ZINC000264508583 385582466 /nfs/dbraw/zinc/58/24/66/385582466.db2.gz RPMUSPLXEQAMRY-UHFFFAOYSA-N 1 0 247.298 0.744 20 30 BCEDRO C=CCCC[NH+]1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000309460764 385591525 /nfs/dbraw/zinc/59/15/25/385591525.db2.gz UKQAKPUKMBXBCI-ZDUSSCGKSA-N 1 0 223.364 0.932 20 30 BCEDRO Cc1nc(NCCCC#N)nc(N(C)C)n1 ZINC000309489266 385618189 /nfs/dbraw/zinc/61/81/89/385618189.db2.gz WMXNWHKIOQSRCY-UHFFFAOYSA-N 1 0 220.280 0.962 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644821146 385628805 /nfs/dbraw/zinc/62/88/05/385628805.db2.gz IIHGDHKKEYKAOB-GHMZBOCLSA-N 1 0 224.304 0.352 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@H](C)[NH+](C)C ZINC000491715496 385638405 /nfs/dbraw/zinc/63/84/05/385638405.db2.gz KAJBAPLGADJPLP-ZJUUUORDSA-N 1 0 211.309 0.600 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CO[C@@H](C)COC)C(C)C ZINC000302463653 385655500 /nfs/dbraw/zinc/65/55/00/385655500.db2.gz YSLUBWPPUQJWRR-XQQFMLRXSA-N 1 0 243.347 0.646 20 30 BCEDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(C#N)o1 ZINC000227972625 385676453 /nfs/dbraw/zinc/67/64/53/385676453.db2.gz VAMMOIUWGNFCDZ-BXKDBHETSA-N 1 0 236.271 0.781 20 30 BCEDRO C#CCNC(NC[C@]1(C)CCCO1)=[NH+]CC ZINC000261695138 533142600 /nfs/dbraw/zinc/14/26/00/533142600.db2.gz FPGABOPTGMMIIR-LBPRGKRZSA-N 1 0 223.320 0.744 20 30 BCEDRO COCC#CCN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000645231291 385693662 /nfs/dbraw/zinc/69/36/62/385693662.db2.gz UOPVCFHJBKBLFL-TXEJJXNPSA-N 1 0 210.321 0.661 20 30 BCEDRO C#CCNC(=[NH+]CC)N1CC[C@]2(CCOC2)C1 ZINC000261956710 533142883 /nfs/dbraw/zinc/14/28/83/533142883.db2.gz IYXAQCYWFBILPD-ZDUSSCGKSA-N 1 0 235.331 0.698 20 30 BCEDRO N#CCCC[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000184790427 385710574 /nfs/dbraw/zinc/71/05/74/385710574.db2.gz GGLRVEKXSOJYOD-UWVGGRQHSA-N 1 0 209.293 0.924 20 30 BCEDRO C#CCNC(NC[C@](C)(O)c1ccco1)=[NH+]C ZINC000262455142 533141498 /nfs/dbraw/zinc/14/14/98/533141498.db2.gz VDATZZINAUEKKK-LBPRGKRZSA-N 1 0 235.287 0.285 20 30 BCEDRO CC#CC[N@H+](C)CCn1ccccc1=O ZINC000645262158 385667630 /nfs/dbraw/zinc/66/76/30/385667630.db2.gz IQWDFKFMRWFWEM-UHFFFAOYSA-N 1 0 204.273 0.803 20 30 BCEDRO CC#CC[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000645262081 385668083 /nfs/dbraw/zinc/66/80/83/385668083.db2.gz OMKNMMTVXLRDNB-UHFFFAOYSA-N 1 0 204.273 0.840 20 30 BCEDRO C#CCNC(NCCn1ccnc1C)=[NH+]CC ZINC000262617521 533142049 /nfs/dbraw/zinc/14/20/49/533142049.db2.gz MRKDLPYGBMAVQP-UHFFFAOYSA-N 1 0 233.319 0.380 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C=Cc1c[nH]cn1 ZINC000491734366 385730366 /nfs/dbraw/zinc/73/03/66/385730366.db2.gz BMQZKBWHSIRVGH-UDIARPCQSA-N 1 0 203.245 0.951 20 30 BCEDRO C[C@@H](C#N)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000347562023 385741514 /nfs/dbraw/zinc/74/15/14/385741514.db2.gz MADGDFIRVSOEAP-IUCAKERBSA-N 1 0 227.333 0.452 20 30 BCEDRO C#CCNC(NCC1(O)CCC1)=[NH+]CC ZINC000262802296 533143214 /nfs/dbraw/zinc/14/32/14/533143214.db2.gz ROCHOIXYFOPLAC-UHFFFAOYSA-N 1 0 209.293 0.090 20 30 BCEDRO C#CCNC(N[C@@H]1C[C@@H](OC)C1(C)C)=[NH+]C ZINC000261615321 533143226 /nfs/dbraw/zinc/14/32/26/533143226.db2.gz AQRGEIZMMFADLW-NXEZZACHSA-N 1 0 223.320 0.598 20 30 BCEDRO COC(=O)[C@]1(NCCCCC#N)CCOC1 ZINC000309625222 385753971 /nfs/dbraw/zinc/75/39/71/385753971.db2.gz GFMQEONJJKYXFP-NSHDSACASA-N 1 0 226.276 0.602 20 30 BCEDRO C[C@H](C(=O)NC1CCN(CC#N)CC1)[NH+](C)C ZINC000602097040 385760895 /nfs/dbraw/zinc/76/08/95/385760895.db2.gz QKPUDCRJLZSSNV-SNVBAGLBSA-N 1 0 238.335 0.041 20 30 BCEDRO CN1CCC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1=O ZINC000309664585 385774350 /nfs/dbraw/zinc/77/43/50/385774350.db2.gz STQBQWDDKWEKSZ-DCAQKATOSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCCC#N ZINC000185115601 385720227 /nfs/dbraw/zinc/72/02/27/385720227.db2.gz UNPHTEVXSQXVJS-TVQRCGJNSA-N 1 0 202.323 0.989 20 30 BCEDRO CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCC[C@@H]1C#N ZINC000602597351 385809489 /nfs/dbraw/zinc/80/94/89/385809489.db2.gz BDUSNMZDZFZISW-GMTAPVOTSA-N 1 0 237.303 0.125 20 30 BCEDRO CO[C@@H]1COC[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000602852351 385827444 /nfs/dbraw/zinc/82/74/44/385827444.db2.gz PXWZYBGFMJSFTB-NXEZZACHSA-N 1 0 210.277 0.684 20 30 BCEDRO C#CC[N@@H+]1CCCC[C@H]1Cn1ccnn1 ZINC000369282246 533151919 /nfs/dbraw/zinc/15/19/19/533151919.db2.gz ZJOSLPLQMNXQHC-NSHDSACASA-N 1 0 204.277 0.766 20 30 BCEDRO COC[C@](C)([NH3+])CNc1ccc(C#N)cn1 ZINC000265041365 385897777 /nfs/dbraw/zinc/89/77/77/385897777.db2.gz NHIXQHVYGSRQJV-LLVKDONJSA-N 1 0 220.276 0.729 20 30 BCEDRO C=CCN1CC[C@H](N2CC[NH2+]CC2(C)C)C1=O ZINC000647852920 385905528 /nfs/dbraw/zinc/90/55/28/385905528.db2.gz ONQIXDKEPUOPPG-NSHDSACASA-N 1 0 237.347 0.457 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1nnc(C)c(C)c1C#N ZINC000265068530 385923863 /nfs/dbraw/zinc/92/38/63/385923863.db2.gz VKJRTLCPBJMBHJ-LBPRGKRZSA-N 1 0 249.318 0.741 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2cccn2C)CC1 ZINC000363452152 533150362 /nfs/dbraw/zinc/15/03/62/533150362.db2.gz BJKZRKINWWRUAT-UHFFFAOYSA-N 1 0 245.326 0.853 20 30 BCEDRO C#CCN1CCC([N@H+]2CCO[C@H](C)C2)CC1 ZINC000373921809 533150650 /nfs/dbraw/zinc/15/06/50/533150650.db2.gz JILMIGNNJDPILS-GFCCVEGCSA-N 1 0 222.332 0.805 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cncn1CC ZINC000320255053 385883450 /nfs/dbraw/zinc/88/34/50/385883450.db2.gz IWQZVXJXKZOXPK-SNVBAGLBSA-N 1 0 209.293 0.930 20 30 BCEDRO C#CC[N@@H+]1CCCC[C@H]1CN1CCOCC1 ZINC000369179509 533153310 /nfs/dbraw/zinc/15/33/10/533153310.db2.gz BPHCUNHRZHOLDY-ZDUSSCGKSA-N 1 0 222.332 0.806 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000643253725 385990223 /nfs/dbraw/zinc/99/02/23/385990223.db2.gz CVELMTDEHBWTDL-SRVKXCTJSA-N 1 0 213.321 0.874 20 30 BCEDRO C#CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000119326076 533153640 /nfs/dbraw/zinc/15/36/40/533153640.db2.gz QWAMAKVLYOIABO-LLVKDONJSA-N 1 0 204.277 0.623 20 30 BCEDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C#N)o1 ZINC000266214487 385934704 /nfs/dbraw/zinc/93/47/04/385934704.db2.gz PIPFWGZGMHKLMX-VIFPVBQESA-N 1 0 231.259 0.921 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000643387576 385948212 /nfs/dbraw/zinc/94/82/12/385948212.db2.gz UJQIQDFMFRWLFB-ZJUUUORDSA-N 1 0 235.274 0.873 20 30 BCEDRO C#CC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000174023227 533154688 /nfs/dbraw/zinc/15/46/88/533154688.db2.gz BSIRZBQDZOXOTE-GFCCVEGCSA-N 1 0 208.305 0.416 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@](C)(O)C1 ZINC000124201412 385999464 /nfs/dbraw/zinc/99/94/64/385999464.db2.gz NHAKZIULTNKHQR-LLVKDONJSA-N 1 0 212.293 0.135 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1ccc(C#N)o1 ZINC000309261908 386047039 /nfs/dbraw/zinc/04/70/39/386047039.db2.gz BJEQUVRZQQKKRM-UHFFFAOYSA-N 1 0 221.260 0.785 20 30 BCEDRO C#CCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000375814890 533157347 /nfs/dbraw/zinc/15/73/47/533157347.db2.gz NSSQTANGXMIFIC-RYUDHWBXSA-N 1 0 208.305 0.151 20 30 BCEDRO CC#CCCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000335139761 386114629 /nfs/dbraw/zinc/11/46/29/386114629.db2.gz PIXQFZJYGBBRCY-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000335139759 386115091 /nfs/dbraw/zinc/11/50/91/386115091.db2.gz PIXQFZJYGBBRCY-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000375814887 533157994 /nfs/dbraw/zinc/15/79/94/533157994.db2.gz NSSQTANGXMIFIC-NEPJUHHUSA-N 1 0 208.305 0.151 20 30 BCEDRO C#CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@H]21 ZINC000374423535 533158628 /nfs/dbraw/zinc/15/86/28/533158628.db2.gz WJIBRNCPLHPQJH-YNEHKIRRSA-N 1 0 222.332 0.803 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2C[C@@H](O)C(C)(C)C2)C1=O ZINC000334460939 386122757 /nfs/dbraw/zinc/12/27/57/386122757.db2.gz ODARBLUVMUVJHF-GHMZBOCLSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCOCCN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000339006991 386204295 /nfs/dbraw/zinc/20/42/95/386204295.db2.gz GLIMZRTUFCOCJS-ZDUSSCGKSA-N 1 0 242.363 0.578 20 30 BCEDRO N#CC1(C(=O)NCCNc2cc[nH+]cc2)CCC1 ZINC000347068302 386211467 /nfs/dbraw/zinc/21/14/67/386211467.db2.gz LSNABZKKCGCTED-UHFFFAOYSA-N 1 0 244.298 0.725 20 30 BCEDRO COCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC000347037733 386226444 /nfs/dbraw/zinc/22/64/44/386226444.db2.gz OAZGHCMXVYZCER-SNVBAGLBSA-N 1 0 239.319 0.373 20 30 BCEDRO Cc1ccc(C#N)c(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000162070463 386253996 /nfs/dbraw/zinc/25/39/96/386253996.db2.gz CIMUKBSVEPELRC-ZDUSSCGKSA-N 1 0 248.330 0.986 20 30 BCEDRO C#CCNC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000115779476 533165090 /nfs/dbraw/zinc/16/50/90/533165090.db2.gz SKPSWLPHMIBGGQ-NSHDSACASA-N 1 0 223.320 0.603 20 30 BCEDRO C#CCNC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000375629464 533165507 /nfs/dbraw/zinc/16/55/07/533165507.db2.gz HMKSMKPQVBVYSU-FOSCPWQOSA-N 1 0 235.331 0.886 20 30 BCEDRO C=CCCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416300235 386264473 /nfs/dbraw/zinc/26/44/73/386264473.db2.gz SYWAOYGOUZIMGC-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO C[C@@H](CO)[N@H+](CC(=O)NCC#N)C1CCCC1 ZINC000347235504 386275540 /nfs/dbraw/zinc/27/55/40/386275540.db2.gz RXACLSSQKUBTMA-JTQLQIEISA-N 1 0 239.319 0.252 20 30 BCEDRO C[NH+](C)[C@H]1CN(Cc2ccccc2C#N)C[C@@H]1O ZINC000572628350 386340067 /nfs/dbraw/zinc/34/00/67/386340067.db2.gz XKSWZGJDCSZMRK-KBPBESRZSA-N 1 0 245.326 0.665 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000367338918 533168345 /nfs/dbraw/zinc/16/83/45/533168345.db2.gz GSWYJBFOZXFMAU-VXGBXAGGSA-N 1 0 235.331 0.888 20 30 BCEDRO C[NH+](C)CC(C)(C)NS(=O)(=O)CCCC#N ZINC000416510071 386332317 /nfs/dbraw/zinc/33/23/17/386332317.db2.gz TWLMMWZCZYOLKR-UHFFFAOYSA-N 1 0 247.364 0.550 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)c1cnn(C)c1C ZINC000181161970 386336727 /nfs/dbraw/zinc/33/67/27/386336727.db2.gz PDVNCHCPVOMZBM-SECBINFHSA-N 1 0 236.319 0.681 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NCCC ZINC000328175877 386437446 /nfs/dbraw/zinc/43/74/46/386437446.db2.gz LSVUKWCXQOLGCP-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO C=CCOCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000519427501 386448211 /nfs/dbraw/zinc/44/82/11/386448211.db2.gz KDEDBCPXFFWIQC-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO N#CCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000408367895 386393640 /nfs/dbraw/zinc/39/36/40/386393640.db2.gz ZMMZTHBWBWYLPG-VIFPVBQESA-N 1 0 222.292 0.436 20 30 BCEDRO C[C@H]1C[C@@H](NC(=O)NCCC#N)C[N@@H+]1C1CC1 ZINC000408366460 386397772 /nfs/dbraw/zinc/39/77/72/386397772.db2.gz OLCOQEQGZNZEKL-VHSXEESVSA-N 1 0 236.319 0.824 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](CCO)[C@@H](C)CC)C1=O ZINC000347476537 386434751 /nfs/dbraw/zinc/43/47/51/386434751.db2.gz OMVMBOCUVUBJEY-RYUDHWBXSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCSC[C@H]1CO ZINC000347481544 386434941 /nfs/dbraw/zinc/43/49/41/386434941.db2.gz OZCRWTUSCHSZEX-MNOVXSKESA-N 1 0 231.361 0.723 20 30 BCEDRO CC#CC[C@H](CO)Nc1cc(C)ncn1 ZINC000645404316 386471521 /nfs/dbraw/zinc/47/15/21/386471521.db2.gz DZKQZOXIEIUZJT-SNVBAGLBSA-N 1 0 205.261 0.971 20 30 BCEDRO CC#CC[C@@H](CO)Nc1cc[nH+]c(C)c1 ZINC000645406038 386482956 /nfs/dbraw/zinc/48/29/56/386482956.db2.gz OXLGXHLGWFIUIK-LBPRGKRZSA-N 1 0 204.273 0.998 20 30 BCEDRO C=CCC[C@@H](CC)[NH2+]CCS(=O)(=O)NC ZINC000187174467 386483313 /nfs/dbraw/zinc/48/33/13/386483313.db2.gz YNRIPIIRSRDFHB-SNVBAGLBSA-N 1 0 234.365 0.870 20 30 BCEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCS(=O)(=O)NC ZINC000187178193 386486255 /nfs/dbraw/zinc/48/62/55/386486255.db2.gz YVENZGRDNQNBAU-ZJUUUORDSA-N 1 0 234.365 0.726 20 30 BCEDRO C=CCN1C(=O)N[C@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000335454365 386529188 /nfs/dbraw/zinc/52/91/88/386529188.db2.gz GVRIYFMRDZWHQQ-CABZTGNLSA-N 1 0 237.303 0.612 20 30 BCEDRO CO[C@H](C)[C@@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000309443614 386489206 /nfs/dbraw/zinc/48/92/06/386489206.db2.gz JEDYVTMOGFCGHC-RKDXNWHRSA-N 1 0 223.280 0.163 20 30 BCEDRO C=C(CC)CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000335453686 386529439 /nfs/dbraw/zinc/52/94/39/386529439.db2.gz DPTXJGJRACHSDH-LBPRGKRZSA-N 1 0 237.303 0.627 20 30 BCEDRO C[C@H](CCC#N)[N@H+](C)CCOCCO ZINC000519613280 386510742 /nfs/dbraw/zinc/51/07/42/386510742.db2.gz WWTVDUVPFBTPPP-SNVBAGLBSA-N 1 0 200.282 0.619 20 30 BCEDRO C=CCCOCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417921949 386461078 /nfs/dbraw/zinc/46/10/78/386461078.db2.gz BSRKHOHARCGRTR-LLVKDONJSA-N 1 0 241.335 0.616 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@H](C)C[NH2+]C ZINC000417921686 386462533 /nfs/dbraw/zinc/46/25/33/386462533.db2.gz BLBDWZSBPMVFBF-LLVKDONJSA-N 1 0 243.351 0.734 20 30 BCEDRO C[NH+](C)CC(=O)NCC1CCC(C#N)CC1 ZINC000408427982 386577494 /nfs/dbraw/zinc/57/74/94/386577494.db2.gz AWWAFBCIQOJEQP-UHFFFAOYSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000123121109 386532359 /nfs/dbraw/zinc/53/23/59/386532359.db2.gz RCMGVBBMBBVJCR-CHWSQXEVSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000335457718 386535358 /nfs/dbraw/zinc/53/53/58/386535358.db2.gz YVSPMOWYMIMTCW-UHFFFAOYSA-N 1 0 205.261 0.118 20 30 BCEDRO C=C(C)CCn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000335457119 386535379 /nfs/dbraw/zinc/53/53/79/386535379.db2.gz XRFFPDVVJIBNMP-UHFFFAOYSA-N 1 0 233.315 0.898 20 30 BCEDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000123667965 386562848 /nfs/dbraw/zinc/56/28/48/386562848.db2.gz QKIIXKDDUXAQRB-MNOVXSKESA-N 1 0 239.319 0.252 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000123808220 386572539 /nfs/dbraw/zinc/57/25/39/386572539.db2.gz UNXZHPMFVQXBEP-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO CO[C@H]1CC[N@H+](CC(=O)NCC#N)[C@@H](C)C1 ZINC000408424111 386572667 /nfs/dbraw/zinc/57/26/67/386572667.db2.gz CYQRZKRKGLOCOT-UWVGGRQHSA-N 1 0 225.292 0.125 20 30 BCEDRO N#CCC(=O)N1CCC[N@@H+]2CCC[C@H]2C1 ZINC000062942954 386647375 /nfs/dbraw/zinc/64/73/75/386647375.db2.gz GXYDBSCLFZDLBC-JTQLQIEISA-N 1 0 207.277 0.597 20 30 BCEDRO O=C(NCC[NH+]1CCC1)NC[C@@H]1CCCOC1 ZINC000328659598 386604328 /nfs/dbraw/zinc/60/43/28/386604328.db2.gz TVJQHAKGFGNYNE-NSHDSACASA-N 1 0 241.335 0.622 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000295466692 533181276 /nfs/dbraw/zinc/18/12/76/533181276.db2.gz YQKBKNMVTOXOFT-QWRGUYRKSA-N 1 0 226.320 0.339 20 30 BCEDRO C=C(C)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000428125552 386665506 /nfs/dbraw/zinc/66/55/06/386665506.db2.gz MNKOXPLPYWJWQO-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2COC[C@H]2n2ccnn2)C1 ZINC000328985839 386666734 /nfs/dbraw/zinc/66/67/34/386666734.db2.gz ZVBMJWXWNLJWFQ-WHOHXGKFSA-N 1 0 247.302 0.500 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(C#N)[nH]1 ZINC000293981724 386674037 /nfs/dbraw/zinc/67/40/37/386674037.db2.gz MZXUXOAGVCBXPG-UHFFFAOYSA-N 1 0 244.298 0.571 20 30 BCEDRO Cn1cc(C[NH2+][C@H]2CCCNC2=O)cc1C#N ZINC000232315083 386680996 /nfs/dbraw/zinc/68/09/96/386680996.db2.gz RSIBZIIYLNXZGT-NSHDSACASA-N 1 0 232.287 0.265 20 30 BCEDRO C[C@@H](CNC(=O)NCCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000330420442 386709056 /nfs/dbraw/zinc/70/90/56/386709056.db2.gz XPEFWOPDJPOLII-MNOVXSKESA-N 1 0 243.351 0.603 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000330421333 386709799 /nfs/dbraw/zinc/70/97/99/386709799.db2.gz XZGPCURJUZKQJV-IJLUTSLNSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCC[C@H]1C ZINC000330401659 386704364 /nfs/dbraw/zinc/70/43/64/386704364.db2.gz KTFPMVHXHFXWOE-NXEZZACHSA-N 1 0 239.319 0.981 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCC[C@@H]1C ZINC000330401660 386704589 /nfs/dbraw/zinc/70/45/89/386704589.db2.gz KTFPMVHXHFXWOE-VHSXEESVSA-N 1 0 239.319 0.981 20 30 BCEDRO CC[NH+]1CCC(NC(=O)NCCCO)CC1 ZINC000330481878 386734374 /nfs/dbraw/zinc/73/43/74/386734374.db2.gz VSBAKPNPEBBMKZ-UHFFFAOYSA-N 1 0 229.324 0.357 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1cn(C)nn1 ZINC000321183985 386713745 /nfs/dbraw/zinc/71/37/45/386713745.db2.gz ZZDSLOPANYBAIX-VIFPVBQESA-N 1 0 210.281 0.232 20 30 BCEDRO C=CCOCC[N@H+]1CCNC(=O)C[C@H]1C ZINC000645102883 386721741 /nfs/dbraw/zinc/72/17/41/386721741.db2.gz OBGIRAXOMQQZCI-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000645150945 386758073 /nfs/dbraw/zinc/75/80/73/386758073.db2.gz VFIANMPJSCXFKT-RYUDHWBXSA-N 1 0 210.321 0.825 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@H](C)C[NH3+] ZINC000417955907 386762954 /nfs/dbraw/zinc/76/29/54/386762954.db2.gz HQZVEIJAWHDGDB-SNVBAGLBSA-N 1 0 229.324 0.473 20 30 BCEDRO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000330448181 386741340 /nfs/dbraw/zinc/74/13/40/386741340.db2.gz YXZIYTSKQIUDBL-ZETCQYMHSA-N 1 0 242.279 0.036 20 30 BCEDRO C[N@H+](Cc1ccc(CC#N)cc1)[C@@H]1COC[C@H]1O ZINC000330607617 386783583 /nfs/dbraw/zinc/78/35/83/386783583.db2.gz LWZVVYZSLBWABY-ZIAGYGMSSA-N 1 0 246.310 0.944 20 30 BCEDRO COC(=O)C1(O)CC[NH+](CCCCC#N)CC1 ZINC000330609410 386787281 /nfs/dbraw/zinc/78/72/81/386787281.db2.gz RYXSJIXIVHATCJ-UHFFFAOYSA-N 1 0 240.303 0.680 20 30 BCEDRO CC#CCN(C)C(=O)CN1CC[NH+](CC)CC1 ZINC000341032993 386824836 /nfs/dbraw/zinc/82/48/36/386824836.db2.gz XOZWNLONJILISU-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)NCc1ccn(C)n1 ZINC000330579640 386797596 /nfs/dbraw/zinc/79/75/96/386797596.db2.gz SWGGUKBILARAOL-UHFFFAOYSA-N 1 0 239.323 0.328 20 30 BCEDRO CCN(CCO)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000330594607 386805795 /nfs/dbraw/zinc/80/57/95/386805795.db2.gz AZHZMPZETUBHJX-GHMZBOCLSA-N 1 0 243.351 0.697 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])NCCOC ZINC000280666906 386834448 /nfs/dbraw/zinc/83/44/48/386834448.db2.gz YCZAFVJNVSCUTP-MNOVXSKESA-N 1 0 241.335 0.518 20 30 BCEDRO CC(C)[C@@H]([NH3+])CNC(=O)NCC(C)(C)C#N ZINC000418002967 386837169 /nfs/dbraw/zinc/83/71/69/386837169.db2.gz YDNNPPLCQILCOS-VIFPVBQESA-N 1 0 226.324 0.819 20 30 BCEDRO C=CCCOCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417959918 386843809 /nfs/dbraw/zinc/84/38/09/386843809.db2.gz MHRTVFRGXKGAKJ-ZJUUUORDSA-N 1 0 229.324 0.614 20 30 BCEDRO C#CCSCCNC(=[NH2+])N1CCSCC1 ZINC000178581978 533199754 /nfs/dbraw/zinc/19/97/54/533199754.db2.gz GIWJSMXUMGBDSR-UHFFFAOYSA-N 1 0 243.401 0.716 20 30 BCEDRO C#CCSCCNC(N[C@H]1C[C@@H]1C)=[NH+]C ZINC000129087027 533200016 /nfs/dbraw/zinc/20/00/16/533200016.db2.gz QVDZZCOKFNPNPZ-UWVGGRQHSA-N 1 0 225.361 0.926 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000330707310 386861393 /nfs/dbraw/zinc/86/13/93/386861393.db2.gz PKFRZOZBSOPFLJ-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000330707308 386861966 /nfs/dbraw/zinc/86/19/66/386861966.db2.gz PKFRZOZBSOPFLJ-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO CC#CCN1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000335754965 386880802 /nfs/dbraw/zinc/88/08/02/386880802.db2.gz NEDOMKYLJADXMY-NWDGAFQWSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CCSCCNC(=[NH2+])NCC(=C)C ZINC000178581994 533200790 /nfs/dbraw/zinc/20/07/90/533200790.db2.gz BVXLRVIYMCCXRT-UHFFFAOYSA-N 1 0 211.334 0.833 20 30 BCEDRO CC[N@H+](C)CCNC(=O)NC[C@@]1(C)CCOC1 ZINC000330768479 386882667 /nfs/dbraw/zinc/88/26/67/386882667.db2.gz YEFLXADPDQNFKW-GFCCVEGCSA-N 1 0 243.351 0.868 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@@H](C)O)C1 ZINC000330793226 386890201 /nfs/dbraw/zinc/89/02/01/386890201.db2.gz CTYOWCONVGOMFZ-MNOVXSKESA-N 1 0 243.351 0.745 20 30 BCEDRO N#CCc1cccc(NC(=O)NC2C[NH2+]C2)c1 ZINC000334862701 386918371 /nfs/dbraw/zinc/91/83/71/386918371.db2.gz NVDCENSDTJMZJW-UHFFFAOYSA-N 1 0 230.271 0.846 20 30 BCEDRO C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000418012861 386906776 /nfs/dbraw/zinc/90/67/76/386906776.db2.gz MOQYGAWJOZWZGU-HBNTYKKESA-N 1 0 238.335 0.833 20 30 BCEDRO C=C[C@H](CO)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000331142184 386972472 /nfs/dbraw/zinc/97/24/72/386972472.db2.gz KXZMYBDYJBTXDB-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](CO)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000331142179 386972675 /nfs/dbraw/zinc/97/26/75/386972675.db2.gz KXZMYBDYJBTXDB-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CC[C@@H]1SC ZINC000425359253 386978001 /nfs/dbraw/zinc/97/80/01/386978001.db2.gz RQVDEWZNVQBERT-BDAKNGLRSA-N 1 0 214.334 0.772 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000052164802 386990252 /nfs/dbraw/zinc/99/02/52/386990252.db2.gz MXJWJDDVOXMMHV-LBPRGKRZSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CC[NH+](CC2CC2)CC1 ZINC000052164803 386991948 /nfs/dbraw/zinc/99/19/48/386991948.db2.gz MXJWJDDVOXMMHV-GFCCVEGCSA-N 1 0 249.358 0.152 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418027175 387030889 /nfs/dbraw/zinc/03/08/89/387030889.db2.gz ILYFDBMNWYOQCW-WDEREUQCSA-N 1 0 223.320 0.697 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418027172 387031063 /nfs/dbraw/zinc/03/10/63/387031063.db2.gz ILYFDBMNWYOQCW-GHMZBOCLSA-N 1 0 223.320 0.697 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000418036086 387062861 /nfs/dbraw/zinc/06/28/61/387062861.db2.gz VNCORNMEFUCYRZ-QWRGUYRKSA-N 1 0 223.320 0.840 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000334931871 387009292 /nfs/dbraw/zinc/00/92/92/387009292.db2.gz QZDWJTKSQNMCMY-VHSXEESVSA-N 1 0 209.293 0.307 20 30 BCEDRO C[C@H](C#N)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000334885208 387027662 /nfs/dbraw/zinc/02/76/62/387027662.db2.gz MSRUIAGPMSORKM-MRVPVSSYSA-N 1 0 214.228 0.976 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418039003 387070755 /nfs/dbraw/zinc/07/07/55/387070755.db2.gz ZBEGSSZNEVIHJN-MNOVXSKESA-N 1 0 223.320 0.826 20 30 BCEDRO CN(C(=O)NCC1(CC#N)CC1)C1CC([NH3+])C1 ZINC000418121819 387078497 /nfs/dbraw/zinc/07/84/97/387078497.db2.gz IZDRVJIYBJINGD-UHFFFAOYSA-N 1 0 236.319 0.811 20 30 BCEDRO C=CCn1cc(C(=O)NCC2=CC[NH2+]CC2)nn1 ZINC000648111249 387080637 /nfs/dbraw/zinc/08/06/37/387080637.db2.gz ARGHXNSKOAWKGM-UHFFFAOYSA-N 1 0 247.302 0.114 20 30 BCEDRO N#CCC1(CNC(=O)NCC2([NH3+])CCC2)CC1 ZINC000418123605 387103256 /nfs/dbraw/zinc/10/32/56/387103256.db2.gz LFYALHRJSVGMLX-UHFFFAOYSA-N 1 0 236.319 0.861 20 30 BCEDRO C=C[C@@H]1CCCCN1C(=O)NCC1C[NH2+]C1 ZINC000334947432 387110331 /nfs/dbraw/zinc/11/03/31/387110331.db2.gz LOXCGUWKYJWUND-LLVKDONJSA-N 1 0 223.320 0.956 20 30 BCEDRO C=CCCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418098214 387111425 /nfs/dbraw/zinc/11/14/25/387111425.db2.gz LFZHPQNFNKUPRY-MYJAWHEDSA-N 1 0 209.293 0.470 20 30 BCEDRO C=C(C)CNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000334948975 387112631 /nfs/dbraw/zinc/11/26/31/387112631.db2.gz DKURLLGIORTQMV-UWVGGRQHSA-N 1 0 211.309 0.860 20 30 BCEDRO C=CCCCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418098991 387129198 /nfs/dbraw/zinc/12/91/98/387129198.db2.gz MUNVTRLOTVTHCX-LLVKDONJSA-N 1 0 241.335 0.630 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000418134134 387161321 /nfs/dbraw/zinc/16/13/21/387161321.db2.gz MALLMJHKMZFOOJ-QWRGUYRKSA-N 1 0 241.335 0.616 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)N1CC[NH2+]CC1 ZINC000418155395 387177108 /nfs/dbraw/zinc/17/71/08/387177108.db2.gz ZBIWTLTUUQTNJO-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418151876 387181951 /nfs/dbraw/zinc/18/19/51/387181951.db2.gz TYPQFVREYNWNMF-MNOVXSKESA-N 1 0 241.335 0.629 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000120468598 387185461 /nfs/dbraw/zinc/18/54/61/387185461.db2.gz WRLGEPGVLIHWSN-LLVKDONJSA-N 1 0 246.376 0.824 20 30 BCEDRO N#CCCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000062980013 387190018 /nfs/dbraw/zinc/19/00/18/387190018.db2.gz PHKYHZTVXCOWMQ-LBPRGKRZSA-N 1 0 223.320 0.697 20 30 BCEDRO N#CCCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000062980012 387190450 /nfs/dbraw/zinc/19/04/50/387190450.db2.gz PHKYHZTVXCOWMQ-GFCCVEGCSA-N 1 0 223.320 0.697 20 30 BCEDRO COCCNCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000423344582 387191722 /nfs/dbraw/zinc/19/17/22/387191722.db2.gz WZLXQCGYODWTJN-VXGBXAGGSA-N 1 0 225.336 0.894 20 30 BCEDRO C=CCCOCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612896904 387211212 /nfs/dbraw/zinc/21/12/12/387211212.db2.gz WTEOZIWPVFBLIX-LBPRGKRZSA-N 1 0 241.335 0.630 20 30 BCEDRO C[C@](C#N)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC000007016160 387240747 /nfs/dbraw/zinc/24/07/47/387240747.db2.gz JUWXECRAELTTTA-GFCCVEGCSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCCOCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417963379 387244716 /nfs/dbraw/zinc/24/47/16/387244716.db2.gz PGFZUPQRCYXJRA-URLYPYJESA-N 1 0 239.319 0.096 20 30 BCEDRO CC(C)[C@@H]1CN(C(=O)[C@H](C)C#N)CC[N@@H+]1C ZINC000336419585 387246536 /nfs/dbraw/zinc/24/65/36/387246536.db2.gz NFCDNUADGQSDDY-MNOVXSKESA-N 1 0 223.320 0.945 20 30 BCEDRO CNS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000193330492 387198602 /nfs/dbraw/zinc/19/86/02/387198602.db2.gz LHNKJHDSOVWDPI-ZJUUUORDSA-N 1 0 245.348 0.208 20 30 BCEDRO CC[N@@H+]1CC[C@H](CNC(=O)CSCC#N)C1 ZINC000058923221 387200409 /nfs/dbraw/zinc/20/04/09/387200409.db2.gz ZZWICCGHGQFQQQ-SNVBAGLBSA-N 1 0 241.360 0.701 20 30 BCEDRO C=CC[N@H+](CCOC)CC[C@@H]1CCNC1=O ZINC000572300664 387312088 /nfs/dbraw/zinc/31/20/88/387312088.db2.gz IKSJNUYNDSAIPJ-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C[C@H]1CCCC[N@@H+]1CCNC(=O)CC#N ZINC000130419876 387258316 /nfs/dbraw/zinc/25/83/16/387258316.db2.gz JIVYRGDOPCNNTQ-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000320397402 387266398 /nfs/dbraw/zinc/26/63/98/387266398.db2.gz OCBIJIAZHPDVQR-RQJHMYQMSA-N 1 0 213.199 0.436 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124761 387266890 /nfs/dbraw/zinc/26/68/90/387266890.db2.gz JBQJWXOQMIKQIQ-SNVBAGLBSA-N 1 0 223.320 0.946 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000392759346 387281482 /nfs/dbraw/zinc/28/14/82/387281482.db2.gz KAQUEXZTZLNOAW-CHWSQXEVSA-N 1 0 224.348 0.956 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000572236077 387283970 /nfs/dbraw/zinc/28/39/70/387283970.db2.gz VKSAYUUHMYRLCI-DCAQKATOSA-N 1 0 247.360 0.600 20 30 BCEDRO C=CCN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000189438144 387285265 /nfs/dbraw/zinc/28/52/65/387285265.db2.gz BVTNOXSJGJMZJX-NSHDSACASA-N 1 0 212.337 0.949 20 30 BCEDRO N#Cc1ccc(C[N@@H+]2[C@@H](CO)CC[C@H]2CO)cc1 ZINC000347291696 387286860 /nfs/dbraw/zinc/28/68/60/387286860.db2.gz BROXCRHWWMNLMA-OKILXGFUSA-N 1 0 246.310 0.876 20 30 BCEDRO C=C(CC)C[N@H+](CCO)CCOCCO ZINC000459801635 387301234 /nfs/dbraw/zinc/30/12/34/387301234.db2.gz YDNDKFHAJGJMLM-UHFFFAOYSA-N 1 0 217.309 0.256 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)C(C)C ZINC000354136134 387335098 /nfs/dbraw/zinc/33/50/98/387335098.db2.gz GNZZEBQFKITRGM-LBPRGKRZSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCCC(=O)NC1(CCO)CC[NH+](C)CC1 ZINC000354146928 387337302 /nfs/dbraw/zinc/33/73/02/387337302.db2.gz GEHXLXPVJCGDEX-UHFFFAOYSA-N 1 0 240.347 0.916 20 30 BCEDRO COCCO[C@@H]1COCC[C@@H]1[NH2+]CCC#N ZINC000515166853 387341542 /nfs/dbraw/zinc/34/15/42/387341542.db2.gz LEBDEALDMPNVSI-WDEREUQCSA-N 1 0 228.292 0.310 20 30 BCEDRO Cn1cc(C[N@@H+]2CCC[C@H](O)C2)cc1C#N ZINC000191163994 387350722 /nfs/dbraw/zinc/35/07/22/387350722.db2.gz DNWAHXKROGVYPR-LBPRGKRZSA-N 1 0 219.288 0.853 20 30 BCEDRO CC#CCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000270629044 387433583 /nfs/dbraw/zinc/43/35/83/387433583.db2.gz FELZYJXDXJSJIN-JTQLQIEISA-N 1 0 211.309 0.649 20 30 BCEDRO CSC[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000515831944 387433851 /nfs/dbraw/zinc/43/38/51/387433851.db2.gz CSTQYUUGHXDGIU-IVZWLZJFSA-N 1 0 214.334 0.992 20 30 BCEDRO C#CC[N@H+](CC)CCn1cc([N+](=O)[O-])ccc1=O ZINC000270568617 387433917 /nfs/dbraw/zinc/43/39/17/387433917.db2.gz MTALSMRGMBEVHC-UHFFFAOYSA-N 1 0 249.270 0.712 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1cn[nH]c1 ZINC000526136010 387449732 /nfs/dbraw/zinc/44/97/32/387449732.db2.gz ISOOCCSLXDVLCV-VIFPVBQESA-N 1 0 247.302 0.623 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCC(=O)C2CC2)CC1 ZINC000272918811 387452820 /nfs/dbraw/zinc/45/28/20/387452820.db2.gz JGYOOAFDHSPADW-UHFFFAOYSA-N 1 0 248.326 0.427 20 30 BCEDRO C#CCC[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000272998759 387453688 /nfs/dbraw/zinc/45/36/88/387453688.db2.gz MHIOPQGVIZVTRB-LBPRGKRZSA-N 1 0 234.274 0.835 20 30 BCEDRO Cn1cc(C[NH2+]C[C@]2(O)CCOC2)cc1C#N ZINC000191484138 387458060 /nfs/dbraw/zinc/45/80/60/387458060.db2.gz AKWLUBVIKMVKKP-GFCCVEGCSA-N 1 0 235.287 0.138 20 30 BCEDRO C=CCOc1cccnc1C(=O)NC[C@@H](C)[NH2+]C ZINC000423625118 387389677 /nfs/dbraw/zinc/38/96/77/387389677.db2.gz FAIRHYDUDBNNLO-SNVBAGLBSA-N 1 0 249.314 0.984 20 30 BCEDRO C=C1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000264500091 387391308 /nfs/dbraw/zinc/39/13/08/387391308.db2.gz VJFSXXINUNJJGC-GFCCVEGCSA-N 1 0 221.304 0.896 20 30 BCEDRO C=C1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000266793673 387404683 /nfs/dbraw/zinc/40/46/83/387404683.db2.gz CWYQWNKPIPQTBR-NSHDSACASA-N 1 0 224.304 0.496 20 30 BCEDRO C#CC[N@H+](CC)CCN1C(=O)CCC1=O ZINC000266892871 387404915 /nfs/dbraw/zinc/40/49/15/387404915.db2.gz DKKNHMWQBATKEU-UHFFFAOYSA-N 1 0 208.261 0.091 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCOC1 ZINC000267445403 387409966 /nfs/dbraw/zinc/40/99/66/387409966.db2.gz PYYHKMWKDXMXKF-QWRGUYRKSA-N 1 0 224.304 0.093 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](COC)C(C)C ZINC000083400120 387410080 /nfs/dbraw/zinc/41/00/80/387410080.db2.gz VKUMACWBPXYJLS-MNOVXSKESA-N 1 0 226.320 0.385 20 30 BCEDRO C#CC[NH+](CC#C)CCC1OCCCO1 ZINC000267985027 387412507 /nfs/dbraw/zinc/41/25/07/387412507.db2.gz YXAAKGNULHQZDB-UHFFFAOYSA-N 1 0 207.273 0.708 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)CSC ZINC000515650311 387414069 /nfs/dbraw/zinc/41/40/69/387414069.db2.gz REUUXGPCMMWNHB-IUCAKERBSA-N 1 0 205.323 0.237 20 30 BCEDRO C#CCNC(=O)[C@H]1C[NH2+]Cc2ccccc21 ZINC000083643639 387418094 /nfs/dbraw/zinc/41/80/94/387418094.db2.gz NYZSPDLNRYBGFO-LBPRGKRZSA-N 1 0 214.268 0.623 20 30 BCEDRO C#CC[NH+]1CCC([C@H](O)c2nccn2C)CC1 ZINC000269736234 387423299 /nfs/dbraw/zinc/42/32/99/387423299.db2.gz ZWIPEFSANBMVFZ-LBPRGKRZSA-N 1 0 233.315 0.799 20 30 BCEDRO C=C(C)CC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000274802055 387496335 /nfs/dbraw/zinc/49/63/35/387496335.db2.gz RJCOBZRRKFBTMP-SNVBAGLBSA-N 1 0 209.293 0.662 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000375080815 387510458 /nfs/dbraw/zinc/51/04/58/387510458.db2.gz NFHNQCRFLRBNQN-LBSFFPRJSA-N 1 0 239.319 0.561 20 30 BCEDRO C#CCN(C)Cc1cc(=O)n2ccsc2n1 ZINC000276902967 387526317 /nfs/dbraw/zinc/52/63/17/387526317.db2.gz DODZGOBQHAXVGV-UHFFFAOYSA-N 1 0 233.296 0.821 20 30 BCEDRO C=C[C@H](C)NC(=O)COC1CCC([NH3+])CC1 ZINC000648084666 387530077 /nfs/dbraw/zinc/53/00/77/387530077.db2.gz FFDXFRJFKJUWRC-WHXUTIOJSA-N 1 0 226.320 0.964 20 30 BCEDRO CCC[C@H](O)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424111371 387544265 /nfs/dbraw/zinc/54/42/65/387544265.db2.gz AOXSLIKIJWNXAO-VHSXEESVSA-N 1 0 227.308 0.285 20 30 BCEDRO C=C[C@H](C)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000648084698 387532655 /nfs/dbraw/zinc/53/26/55/387532655.db2.gz NSXJZNYNMJGVAR-UWVGGRQHSA-N 1 0 249.318 0.334 20 30 BCEDRO CCC[C@@H](O)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424111372 387544564 /nfs/dbraw/zinc/54/45/64/387544564.db2.gz AOXSLIKIJWNXAO-ZJUUUORDSA-N 1 0 227.308 0.285 20 30 BCEDRO C#CC[N@@H+](CCC(=O)N(C)CC)C1CC1 ZINC000274239976 387468559 /nfs/dbraw/zinc/46/85/59/387468559.db2.gz XREMBQFFWMZYFC-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C=CCCn1cc(C(=O)N2CCC[C@H]([NH3+])C2)nn1 ZINC000424062854 387473906 /nfs/dbraw/zinc/47/39/06/387473906.db2.gz WFZOZAAMRTUEKT-JTQLQIEISA-N 1 0 249.318 0.418 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC[NH3+] ZINC000424063004 387474558 /nfs/dbraw/zinc/47/45/58/387474558.db2.gz WQRYMJZUJOXBAV-ZJUUUORDSA-N 1 0 212.293 0.433 20 30 BCEDRO C=CCCn1cc(C(=O)N2CCC[C@@H]([NH3+])C2)nn1 ZINC000424062860 387474681 /nfs/dbraw/zinc/47/46/81/387474681.db2.gz WFZOZAAMRTUEKT-SNVBAGLBSA-N 1 0 249.318 0.418 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C[NH3+])C1CC1 ZINC000424071707 387475750 /nfs/dbraw/zinc/47/57/50/387475750.db2.gz BWYWSJMXMQJLFK-UTUOFQBUSA-N 1 0 238.331 0.821 20 30 BCEDRO CC[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC000424080320 387481068 /nfs/dbraw/zinc/48/10/68/387481068.db2.gz HWALOKSQNNTCKP-QWRGUYRKSA-N 1 0 239.319 0.645 20 30 BCEDRO C=C(C)CC[NH+]1CCN(C(=O)NC)CC1 ZINC000274754937 387488596 /nfs/dbraw/zinc/48/85/96/387488596.db2.gz CANIEMAKLKVYIU-UHFFFAOYSA-N 1 0 211.309 0.910 20 30 BCEDRO C=C(C)CC[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000274786435 387493194 /nfs/dbraw/zinc/49/31/94/387493194.db2.gz AWRLWPSMOYGEEN-UHFFFAOYSA-N 1 0 227.304 0.953 20 30 BCEDRO C=C(C)CC[N@@H+](CCOC)CC(=O)N(C)C ZINC000274742765 387493306 /nfs/dbraw/zinc/49/33/06/387493306.db2.gz FMPPFXUBJJBWIU-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1cc(C)n(C)n1 ZINC000327971582 387599847 /nfs/dbraw/zinc/59/98/47/387599847.db2.gz GGCLJQQFHRRHBL-UHFFFAOYSA-N 1 0 248.330 0.413 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000527531883 387604525 /nfs/dbraw/zinc/60/45/25/387604525.db2.gz FRISWVLTDPSFET-SUNKGSAMSA-N 1 0 211.330 0.995 20 30 BCEDRO C#CC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277932603 387549381 /nfs/dbraw/zinc/54/93/81/387549381.db2.gz YSXDRDMJESFWDJ-RYUDHWBXSA-N 1 0 219.288 0.061 20 30 BCEDRO C=C(CC)C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000426482844 387573785 /nfs/dbraw/zinc/57/37/85/387573785.db2.gz ATJYPCHVKNGYGC-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO CC1(CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000424132594 387637084 /nfs/dbraw/zinc/63/70/84/387637084.db2.gz WJAYPNUNCJCVLD-VIFPVBQESA-N 1 0 209.293 0.924 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H]1COC[C@H]1OCC ZINC000451940911 387682895 /nfs/dbraw/zinc/68/28/95/387682895.db2.gz WKSWUBVLUIGYMN-QJPTWQEYSA-N 1 0 229.320 0.707 20 30 BCEDRO C=CCCCS(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000451938674 387683375 /nfs/dbraw/zinc/68/33/75/387683375.db2.gz VRILCSMXQUVNAC-JTQLQIEISA-N 1 0 234.365 0.822 20 30 BCEDRO C=C(CC)C[N@@H+]1CCN(CCO)C[C@H]1C ZINC000452121797 387748714 /nfs/dbraw/zinc/74/87/14/387748714.db2.gz GVZSKYFORUNHBW-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1cnc(C#N)cn1 ZINC000128207267 387740634 /nfs/dbraw/zinc/74/06/34/387740634.db2.gz YLKKLVAQRIIKHD-LLVKDONJSA-N 1 0 235.291 0.073 20 30 BCEDRO C=CCN(C)C(=O)NCCC[NH2+]C1CC1 ZINC000418301373 387811978 /nfs/dbraw/zinc/81/19/78/387811978.db2.gz OSMNNKATXIFQPI-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)[C@@H]2CCCO2)C1 ZINC000527957646 387784296 /nfs/dbraw/zinc/78/42/96/387784296.db2.gz RWSGVXFZVBJRJV-KXNHARMFSA-N 1 0 224.304 0.808 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)CC[NH3+] ZINC000424151836 387793871 /nfs/dbraw/zinc/79/38/71/387793871.db2.gz IKQVHPUOLKCQMS-MXWKQRLJSA-N 1 0 226.320 0.821 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000442623464 387808118 /nfs/dbraw/zinc/80/81/18/387808118.db2.gz SPBLCCKLYJLAFZ-LLVKDONJSA-N 1 0 226.320 0.776 20 30 BCEDRO C=CCn1cc(CN[C@@H]2C[N@H+](CC)C[C@H]2C)nn1 ZINC000424166816 387853502 /nfs/dbraw/zinc/85/35/02/387853502.db2.gz BKTQEDUEENFPKS-DGCLKSJQSA-N 1 0 249.362 0.894 20 30 BCEDRO CO[C@@H]1CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424171997 387865517 /nfs/dbraw/zinc/86/55/17/387865517.db2.gz MRARYFRHMSJPSW-HBNTYKKESA-N 1 0 239.319 0.691 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H]1CCC[NH2+]1 ZINC000424213267 387930567 /nfs/dbraw/zinc/93/05/67/387930567.db2.gz SYCRXVGTHQSCOO-TUAOUCFPSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])CC ZINC000424212652 387931899 /nfs/dbraw/zinc/93/18/99/387931899.db2.gz PXKSVOIDIFJPCT-GUBZILKMSA-N 1 0 212.293 0.431 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]2CC[C@@H]([NH3+])C2)nn1 ZINC000424215361 387933002 /nfs/dbraw/zinc/93/30/02/387933002.db2.gz ZXHQMSYGOOGXPJ-VHSXEESVSA-N 1 0 249.318 0.208 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C[NH2+]CC2CC2)C1 ZINC000424214498 387933340 /nfs/dbraw/zinc/93/33/40/387933340.db2.gz CSPBHGMPTSYWGX-WDEREUQCSA-N 1 0 221.304 0.794 20 30 BCEDRO C[NH2+]CCCC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424217064 387934324 /nfs/dbraw/zinc/93/43/24/387934324.db2.gz KIUGYTWMHWPCGE-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO C=C(C)CC[NH2+][C@H]1CCN[C@@H]1C(=O)OCC ZINC000423154906 387934572 /nfs/dbraw/zinc/93/45/72/387934572.db2.gz PNVLWZYDKIQATJ-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO CCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424218564 387934992 /nfs/dbraw/zinc/93/49/92/387934992.db2.gz VBGDFUXKQDEZFA-AEJSXWLSSA-N 1 0 209.293 0.922 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[C@@H]([NH3+])C2)C1 ZINC000424219068 387936227 /nfs/dbraw/zinc/93/62/27/387936227.db2.gz ZDIBCBYUYSLXBJ-LNFKQOIKSA-N 1 0 221.304 0.922 20 30 BCEDRO CC(C)[N@@H+](CC(=O)NCC#N)CC1CC1 ZINC000533035924 387925139 /nfs/dbraw/zinc/92/51/39/387925139.db2.gz YGSJTPSSWSHDCP-UHFFFAOYSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CS(C)(=O)=O ZINC000424292372 387954765 /nfs/dbraw/zinc/95/47/65/387954765.db2.gz GSBRLROMZCLVLO-VWYCJHECSA-N 1 0 247.360 0.600 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000423160247 387940732 /nfs/dbraw/zinc/94/07/32/387940732.db2.gz ZJWQWKDRWXVOGY-LOWDOPEQSA-N 1 0 240.347 0.687 20 30 BCEDRO C=C(CC)C[NH2+][C@@H]1CCN[C@H]1C(=O)OCC ZINC000423161687 387943774 /nfs/dbraw/zinc/94/37/74/387943774.db2.gz OBZDURLJPNYPCQ-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H](CO)C(C)C ZINC000156394690 387969990 /nfs/dbraw/zinc/96/99/90/387969990.db2.gz CEKLVGQESTTZDV-WDEREUQCSA-N 1 0 201.310 0.920 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC000245930621 387995377 /nfs/dbraw/zinc/99/53/77/387995377.db2.gz PFGOQXYUSGTPCK-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO C[N@@H+](CC(=O)N(CCC#N)CCC#N)CC1CC1 ZINC000065588918 387985007 /nfs/dbraw/zinc/98/50/07/387985007.db2.gz PHZINMRIIFHQEV-UHFFFAOYSA-N 1 0 248.330 0.984 20 30 BCEDRO C=CCn1cc(CN[C@@H](C)[C@@H]2CCC[NH2+]2)nn1 ZINC000424384336 388001826 /nfs/dbraw/zinc/00/18/26/388001826.db2.gz VCMBZPCLFYRTBZ-JQWIXIFHSA-N 1 0 235.335 0.694 20 30 BCEDRO C=CCn1cc(CN[C@H](C)[C@@H]2CCC[NH2+]2)nn1 ZINC000424384337 388001868 /nfs/dbraw/zinc/00/18/68/388001868.db2.gz VCMBZPCLFYRTBZ-PWSUYJOCSA-N 1 0 235.335 0.694 20 30 BCEDRO C[C@H]1CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC[NH2+]1 ZINC000424467951 388012450 /nfs/dbraw/zinc/01/24/50/388012450.db2.gz NITIIADPLMGGCM-GARJFASQSA-N 1 0 236.319 0.682 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000071128774 388014018 /nfs/dbraw/zinc/01/40/18/388014018.db2.gz BRCNTPODZLALPK-WDEREUQCSA-N 1 0 221.304 0.843 20 30 BCEDRO CC[NH2+]CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424481652 388038097 /nfs/dbraw/zinc/03/80/97/388038097.db2.gz RUAWVGHDFDYWBI-VHSXEESVSA-N 1 0 224.308 0.587 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NCCCC[NH3+])C1 ZINC000424483507 388039753 /nfs/dbraw/zinc/03/97/53/388039753.db2.gz YDMTYUUAFCWDNL-VHSXEESVSA-N 1 0 224.308 0.717 20 30 BCEDRO C[C@H](O)CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083029650 388044097 /nfs/dbraw/zinc/04/40/97/388044097.db2.gz YQQLOTSMNOXASH-ONGXEEELSA-N 1 0 249.314 0.795 20 30 BCEDRO C=CCNC(=O)[C@H](C)SCC[NH+](C)C ZINC000446564562 388027294 /nfs/dbraw/zinc/02/72/94/388027294.db2.gz KHHMRFBFLLUEKB-VIFPVBQESA-N 1 0 216.350 0.972 20 30 BCEDRO CN1CC[NH+]=C1NCCOCC(F)F ZINC000261527408 135152036 /nfs/dbraw/zinc/15/20/36/135152036.db2.gz AVTJEWDBCYGJGH-UHFFFAOYSA-N 1 0 207.224 0.159 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000453353348 388057540 /nfs/dbraw/zinc/05/75/40/388057540.db2.gz LIMFPFSWGSMGEH-QJPTWQEYSA-N 1 0 212.337 0.853 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@H](CC)Cn1cncn1 ZINC000453360769 388058601 /nfs/dbraw/zinc/05/86/01/388058601.db2.gz PTHYRHFRRMITQZ-NEPJUHHUSA-N 1 0 238.335 0.973 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@H](O)CO[C@@H](C)COC ZINC000447296811 388060594 /nfs/dbraw/zinc/06/05/94/388060594.db2.gz RYPHQALOSQLUCN-RYUDHWBXSA-N 1 0 231.336 0.907 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@@H](O)CO[C@H](C)COC ZINC000447296812 388061710 /nfs/dbraw/zinc/06/17/10/388061710.db2.gz RYPHQALOSQLUCN-VXGBXAGGSA-N 1 0 231.336 0.907 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2COCCO2)C1 ZINC000336658046 388072397 /nfs/dbraw/zinc/07/23/97/388072397.db2.gz BCTRIUVGTATJKV-GMTAPVOTSA-N 1 0 210.277 0.684 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)C(F)F)C1 ZINC000336660255 388089723 /nfs/dbraw/zinc/08/97/23/388089723.db2.gz RMBYETAIVIEPBH-CSMHCCOUSA-N 1 0 204.220 0.894 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000646298191 388178307 /nfs/dbraw/zinc/17/83/07/388178307.db2.gz KEDHVZCTFHIBQU-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000456140572 388180995 /nfs/dbraw/zinc/18/09/95/388180995.db2.gz BMPROCYLIMBNQZ-KKOKHZNYSA-N 1 0 238.331 0.644 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000448975692 388124241 /nfs/dbraw/zinc/12/42/41/388124241.db2.gz IVSIAMOQEGLYKU-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000490741510 388251785 /nfs/dbraw/zinc/25/17/85/388251785.db2.gz VKFQXNDPYCJYBR-ITGUQSILSA-N 1 0 248.326 0.093 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)COCC(C)C ZINC000490739857 388252125 /nfs/dbraw/zinc/25/21/25/388252125.db2.gz HIJXEUFYSJQUCT-GFCCVEGCSA-N 1 0 213.321 0.975 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)COCC=C ZINC000490873384 388257475 /nfs/dbraw/zinc/25/74/75/388257475.db2.gz IYHVSEBMMGUMGJ-LBPRGKRZSA-N 1 0 237.299 0.830 20 30 BCEDRO C=CCCCS(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000489118417 388204289 /nfs/dbraw/zinc/20/42/89/388204289.db2.gz SVKNYWZAFBEVAG-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C[C@@H]([NH2+]CC(N)=O)c1cccc(C#N)c1 ZINC000037183985 388210350 /nfs/dbraw/zinc/21/03/50/388210350.db2.gz QUOXXQIHUYGPQL-MRVPVSSYSA-N 1 0 203.245 0.694 20 30 BCEDRO C=C(CC)CNC(=O)CN1CC[NH+](CC)CC1 ZINC000456814717 388225102 /nfs/dbraw/zinc/22/51/02/388225102.db2.gz UYENZMOVBAWOET-UHFFFAOYSA-N 1 0 239.363 0.706 20 30 BCEDRO C#CCNC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000490657626 388246771 /nfs/dbraw/zinc/24/67/71/388246771.db2.gz XMEUIIGHHDJZKP-LLVKDONJSA-N 1 0 221.304 0.498 20 30 BCEDRO C#CCN(CC#CC)C(=O)C[N@H+](C)C(C)C ZINC000490690546 388247461 /nfs/dbraw/zinc/24/74/61/388247461.db2.gz SLDGEMDLBLOUPR-UHFFFAOYSA-N 1 0 220.316 0.812 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(CC)CC ZINC000451603434 388283265 /nfs/dbraw/zinc/28/32/65/388283265.db2.gz ZOZARWPCLSRSIT-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[N@H+](C)CCc1nnnn1-c1ccccc1 ZINC000491315938 388284716 /nfs/dbraw/zinc/28/47/16/388284716.db2.gz QWPHEGOOCXWRMW-UHFFFAOYSA-N 1 0 241.298 0.770 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CC1CCS(=O)(=O)CC1 ZINC000491325592 388285211 /nfs/dbraw/zinc/28/52/11/388285211.db2.gz DXJAJFIGTFVZJA-SNVBAGLBSA-N 1 0 229.345 0.765 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C(C)(C)COC ZINC000491349016 388285370 /nfs/dbraw/zinc/28/53/70/388285370.db2.gz GFOSOYDJJCHGAH-UHFFFAOYSA-N 1 0 240.347 0.730 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@H](C)C[NH3+] ZINC000491339914 388286365 /nfs/dbraw/zinc/28/63/65/388286365.db2.gz UEVUQOIJGLRNDC-NXEZZACHSA-N 1 0 211.309 0.682 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CCOC(C)C ZINC000491340424 388286757 /nfs/dbraw/zinc/28/67/57/388286757.db2.gz XTDNBWFYADZDAL-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NCCC#CC ZINC000491371473 388289018 /nfs/dbraw/zinc/28/90/18/388289018.db2.gz FFIXKRXKTXFUGE-UHFFFAOYSA-N 1 0 235.331 0.654 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1ccccc1 ZINC000491381843 388290387 /nfs/dbraw/zinc/29/03/87/388290387.db2.gz GPMUUKZCRPIZIR-NWDGAFQWSA-N 1 0 205.257 0.304 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000491384121 388290695 /nfs/dbraw/zinc/29/06/95/388290695.db2.gz NNHHESIJOMJQCJ-VXGBXAGGSA-N 1 0 238.331 0.435 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000491384118 388290942 /nfs/dbraw/zinc/29/09/42/388290942.db2.gz NNHHESIJOMJQCJ-NEPJUHHUSA-N 1 0 238.331 0.435 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([N@@H+]2CCCC(C)(C)C2)C1=O ZINC000491387678 388291217 /nfs/dbraw/zinc/29/12/17/388291217.db2.gz YJQNILWSOAZRAN-LLVKDONJSA-N 1 0 248.326 0.869 20 30 BCEDRO C#CCN([C@H](C)C(=O)NC(=O)NCC)C1CC1 ZINC000491395965 388292029 /nfs/dbraw/zinc/29/20/29/388292029.db2.gz VWDNIMQSMNPDHY-SECBINFHSA-N 1 0 237.303 0.318 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)N(C)C1CC1 ZINC000491405068 388292578 /nfs/dbraw/zinc/29/25/78/388292578.db2.gz GQGOIXZNYKQJDW-LLVKDONJSA-N 1 0 237.347 0.198 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)Cn1ccnc1 ZINC000491420328 388293462 /nfs/dbraw/zinc/29/34/62/388293462.db2.gz XCRXDXYEQLPGQK-LLVKDONJSA-N 1 0 234.303 0.001 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCC(C)(C)[NH3+] ZINC000491440324 388294676 /nfs/dbraw/zinc/29/46/76/388294676.db2.gz OOGFFCDSAULDPV-VIFPVBQESA-N 1 0 211.309 0.825 20 30 BCEDRO C[N@H+](CC(=O)NCC#N)[C@@H](CO)CC(C)(C)C ZINC000451785838 388295947 /nfs/dbraw/zinc/29/59/47/388295947.db2.gz VTZPWZGKPPUZMS-SNVBAGLBSA-N 1 0 241.335 0.355 20 30 BCEDRO C#C[C@H](CC)[NH2+][C@H](C)COCC(=O)OC ZINC000491463419 388296152 /nfs/dbraw/zinc/29/61/52/388296152.db2.gz MWXGSVCNRVXODA-NXEZZACHSA-N 1 0 213.277 0.566 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CCCC#N)CC1 ZINC000491473249 388297094 /nfs/dbraw/zinc/29/70/94/388297094.db2.gz BWSCKXHLTJBETI-UHFFFAOYSA-N 1 0 233.315 0.752 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@](C)(O)CCC ZINC000491483332 388297510 /nfs/dbraw/zinc/29/75/10/388297510.db2.gz BBIMNRVQOVFFOU-ZDUSSCGKSA-N 1 0 240.347 0.609 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N(C)C[C@H]1CCC[N@@H+]1C ZINC000491524126 388301164 /nfs/dbraw/zinc/30/11/64/388301164.db2.gz JISVUOVFCAIKPI-VXGBXAGGSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCNC(=O)[C@H](C)N(C)C[C@H]1CCC[N@@H+]1C ZINC000491524124 388301354 /nfs/dbraw/zinc/30/13/54/388301354.db2.gz JISVUOVFCAIKPI-NWDGAFQWSA-N 1 0 237.347 0.150 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@@H](C)[NH2+]CC ZINC000491537074 388302166 /nfs/dbraw/zinc/30/21/66/388302166.db2.gz OBRNJGLEEZGHQW-NXEZZACHSA-N 1 0 211.309 0.648 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NOCCC)CC1 ZINC000491535913 388302224 /nfs/dbraw/zinc/30/22/24/388302224.db2.gz GDGZDJWWQHFALG-UHFFFAOYSA-N 1 0 224.304 0.789 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCC(=O)N1CCOCC1 ZINC000491543340 388302449 /nfs/dbraw/zinc/30/24/49/388302449.db2.gz FZIHQAAFGDQTDA-NSHDSACASA-N 1 0 224.304 0.189 20 30 BCEDRO C#CCN(C)CCC[NH2+]CC1(O)CCC1 ZINC000491537753 388302674 /nfs/dbraw/zinc/30/26/74/388302674.db2.gz SYUWDRHILCYPHN-UHFFFAOYSA-N 1 0 210.321 0.446 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1CC(C)(F)C1 ZINC000491554348 388303488 /nfs/dbraw/zinc/30/34/88/388303488.db2.gz IJAQQMGSADAJDQ-UHFFFAOYSA-N 1 0 212.268 0.606 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000491569512 388304206 /nfs/dbraw/zinc/30/42/06/388304206.db2.gz WFFBKSVIUAIFJC-CYBMUJFWSA-N 1 0 232.327 0.812 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCCCC[NH3+] ZINC000491618855 388305147 /nfs/dbraw/zinc/30/51/47/388305147.db2.gz CYVOGOLDDTXOOS-JTQLQIEISA-N 1 0 211.309 0.826 20 30 BCEDRO C#C[C@H](C)N(C)CN1CC(=O)N(C(C)C)C1=O ZINC000491625056 388305919 /nfs/dbraw/zinc/30/59/19/388305919.db2.gz HOHCJINDHMKUSM-JTQLQIEISA-N 1 0 237.303 0.570 20 30 BCEDRO C#C[C@H](CC)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000491628325 388305971 /nfs/dbraw/zinc/30/59/71/388305971.db2.gz OFMPNRJOEKVAFY-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCN1CCCC[C@H]1CS(C)(=O)=O ZINC000491628068 388306244 /nfs/dbraw/zinc/30/62/44/388306244.db2.gz KLJFECSUJYPDNW-JTQLQIEISA-N 1 0 215.318 0.519 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1(CCO)CCC1 ZINC000491643102 388307556 /nfs/dbraw/zinc/30/75/56/388307556.db2.gz DPDNSQBLVRVNFP-UHFFFAOYSA-N 1 0 238.331 0.268 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)/C=C/OCC ZINC000491654140 388308360 /nfs/dbraw/zinc/30/83/60/388308360.db2.gz FIAWINDTLAQCNE-YRNVUSSQSA-N 1 0 224.304 0.608 20 30 BCEDRO C#CCNC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000491654575 388308407 /nfs/dbraw/zinc/30/84/07/388308407.db2.gz FZPMMPBJTWTOLK-ZJUUUORDSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)[C@H]1CCOC1 ZINC000491657174 388308521 /nfs/dbraw/zinc/30/85/21/388308521.db2.gz JRHKNALAWWBFLW-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000491659920 388309065 /nfs/dbraw/zinc/30/90/65/388309065.db2.gz LTKJXJHDORYEMT-SNVBAGLBSA-N 1 0 209.293 0.436 20 30 BCEDRO C#CCN(CCNS(=O)(=O)CC)C1CC1 ZINC000491663491 388309073 /nfs/dbraw/zinc/30/90/73/388309073.db2.gz SEGRUEIVOPBMIY-UHFFFAOYSA-N 1 0 230.333 0.023 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@@H]([NH3+])C(C)C ZINC000491665784 388309554 /nfs/dbraw/zinc/30/95/54/388309554.db2.gz VOGWBFINRUMKIZ-NSHDSACASA-N 1 0 206.289 0.455 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000491672302 388309891 /nfs/dbraw/zinc/30/98/91/388309891.db2.gz TWSQKYRLGRFPMG-VXGBXAGGSA-N 1 0 236.315 0.187 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1C[C@H]1CC ZINC000491689102 388310801 /nfs/dbraw/zinc/31/08/01/388310801.db2.gz GLZSQPHQXNFRPP-MNOVXSKESA-N 1 0 208.305 0.762 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(CC)(CC)CO ZINC000491690180 388311215 /nfs/dbraw/zinc/31/12/15/388311215.db2.gz CAVPITWQAXFOAD-UHFFFAOYSA-N 1 0 240.347 0.514 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C(=O)C(C)C ZINC000491693670 388311475 /nfs/dbraw/zinc/31/14/75/388311475.db2.gz LBXOJBQTHOCTCZ-UHFFFAOYSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCN(CC)C(C)C ZINC000491694055 388311494 /nfs/dbraw/zinc/31/14/94/388311494.db2.gz AAMMBOQBYDSCMK-UHFFFAOYSA-N 1 0 239.363 0.446 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CCC(=O)OCC ZINC000491699200 388312236 /nfs/dbraw/zinc/31/22/36/388312236.db2.gz BHXLNJVIRYMLBC-UHFFFAOYSA-N 1 0 240.303 0.011 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C)[C@H]1C ZINC000491700806 388312610 /nfs/dbraw/zinc/31/26/10/388312610.db2.gz PEOYCIYQKQLJIW-NWDGAFQWSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000491701930 388312784 /nfs/dbraw/zinc/31/27/84/388312784.db2.gz IFCMKKDNBPNYDK-CMPLNLGQSA-N 1 0 235.331 0.744 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000491707368 388313573 /nfs/dbraw/zinc/31/35/73/388313573.db2.gz NHPJDMWFTSXLEH-QWHCGFSZSA-N 1 0 247.342 0.653 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)OCC ZINC000491717478 388314248 /nfs/dbraw/zinc/31/42/48/388314248.db2.gz QVTLNVKOZYTHMT-UHFFFAOYSA-N 1 0 226.320 0.531 20 30 BCEDRO C#CC[N@H+](C)CCCN=c1ncnc2[nH][nH]cc1-2 ZINC000491718791 388314516 /nfs/dbraw/zinc/31/45/16/388314516.db2.gz WHUYTKNMPQQEKF-UHFFFAOYSA-N 1 0 244.302 0.093 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)[C@H](C)C#C ZINC000491724699 388314724 /nfs/dbraw/zinc/31/47/24/388314724.db2.gz ACMXQXJBIORRQS-GFCCVEGCSA-N 1 0 235.331 0.605 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C(C)(C)CN(C)C ZINC000491723733 388314900 /nfs/dbraw/zinc/31/49/00/388314900.db2.gz DDVBLBRRHKKBGL-UHFFFAOYSA-N 1 0 225.336 0.056 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000491726256 388315066 /nfs/dbraw/zinc/31/50/66/388315066.db2.gz IVWLJLWHHJRWHG-PEGIJTEDSA-N 1 0 206.289 0.514 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+](CC2CCC2)CC1 ZINC000491726677 388315245 /nfs/dbraw/zinc/31/52/45/388315245.db2.gz KQFLFCVEQGMKHD-UHFFFAOYSA-N 1 0 249.358 0.154 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cnccc1C ZINC000491728072 388315334 /nfs/dbraw/zinc/31/53/34/388315334.db2.gz ACJXMFAJDSLNAB-UHFFFAOYSA-N 1 0 231.299 0.619 20 30 BCEDRO C#CCNC(=O)N1CCC2(CC[NH2+]CC2)CC1 ZINC000491730308 388315673 /nfs/dbraw/zinc/31/56/73/388315673.db2.gz HNTXXEADOZYVCH-UHFFFAOYSA-N 1 0 235.331 0.795 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@](C)(CC)CO ZINC000491731290 388315788 /nfs/dbraw/zinc/31/57/88/388315788.db2.gz PYNCQNKPKXFWAY-CYBMUJFWSA-N 1 0 240.347 0.466 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCC1CC1 ZINC000491736652 388316476 /nfs/dbraw/zinc/31/64/76/388316476.db2.gz PUZSFNYHAVOHMR-UHFFFAOYSA-N 1 0 208.305 0.906 20 30 BCEDRO C#C[C@@H](C)N(C)S(=O)(=O)CC[NH+](CC)CC ZINC000491742701 388317099 /nfs/dbraw/zinc/31/70/99/388317099.db2.gz QPDJKUYQLLEENI-LLVKDONJSA-N 1 0 246.376 0.612 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000491747030 388317151 /nfs/dbraw/zinc/31/71/51/388317151.db2.gz VZGIVJZCFNYQHI-GFCCVEGCSA-N 1 0 218.300 0.422 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)OCC ZINC000491757042 388318419 /nfs/dbraw/zinc/31/84/19/388318419.db2.gz BRBJWFJNZJYUOR-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)OCC ZINC000491757041 388318431 /nfs/dbraw/zinc/31/84/31/388318431.db2.gz BRBJWFJNZJYUOR-LLVKDONJSA-N 1 0 226.320 0.483 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)C[C@H]1CCCO1 ZINC000491775171 388319645 /nfs/dbraw/zinc/31/96/45/388319645.db2.gz WTYHGRBJQAUPQO-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000491776078 388319947 /nfs/dbraw/zinc/31/99/47/388319947.db2.gz CAYQXCXSBVQQFF-GFCCVEGCSA-N 1 0 237.347 0.993 20 30 BCEDRO C#C[C@H](NC(=O)NC1CC[NH2+]CC1)C(C)C ZINC000491778540 388320137 /nfs/dbraw/zinc/32/01/37/388320137.db2.gz YJPIJUUJTDTBFO-NSHDSACASA-N 1 0 223.320 0.695 20 30 BCEDRO C#C[C@H]1COCCN1CCOCCC#N ZINC000491785025 388321030 /nfs/dbraw/zinc/32/10/30/388321030.db2.gz RUGOHHLHTWTJIH-NSHDSACASA-N 1 0 208.261 0.251 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000491805103 388321761 /nfs/dbraw/zinc/32/17/61/388321761.db2.gz ODAWDCVXKMVKQT-NEPJUHHUSA-N 1 0 239.702 0.957 20 30 BCEDRO C#C[C@@H](C)N(C)CC(=O)Nc1cc(C)nn1C ZINC000491806056 388321962 /nfs/dbraw/zinc/32/19/62/388321962.db2.gz QBDSRVVOKLFERG-SNVBAGLBSA-N 1 0 234.303 0.621 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000491810965 388322552 /nfs/dbraw/zinc/32/25/52/388322552.db2.gz ATEVBZRFQSHJTI-GRYCIOLGSA-N 1 0 237.347 0.941 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)CCC=C ZINC000491810542 388322761 /nfs/dbraw/zinc/32/27/61/388322761.db2.gz IVDGLBQSNCEEQA-NSHDSACASA-N 1 0 224.304 0.043 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1coc(CC)n1 ZINC000491812269 388322875 /nfs/dbraw/zinc/32/28/75/388322875.db2.gz HDLYIIDSOJKFOW-UHFFFAOYSA-N 1 0 249.314 0.922 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)CN(CC)CC ZINC000491817377 388323648 /nfs/dbraw/zinc/32/36/48/388323648.db2.gz OJTYBIHOOPUOMX-GFCCVEGCSA-N 1 0 239.363 0.446 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)CCCNS(=O)(=O)CC ZINC000491820290 388323737 /nfs/dbraw/zinc/32/37/37/388323737.db2.gz QTNRMXIGVYJWEU-JTQLQIEISA-N 1 0 232.349 0.269 20 30 BCEDRO C#CCN1C(=O)C[C@H]([NH2+]C2CCCC2)C1=O ZINC000491818860 388323908 /nfs/dbraw/zinc/32/39/08/388323908.db2.gz MHEFQZLVSUWJMD-JTQLQIEISA-N 1 0 220.272 0.279 20 30 BCEDRO CCC[C@@H](C#N)NC(=O)/C=C/C[NH+](C)C ZINC000491873102 388325519 /nfs/dbraw/zinc/32/55/19/388325519.db2.gz SYGWHXWWAOUNFL-STUBTGCMSA-N 1 0 209.293 0.913 20 30 BCEDRO CC#CCC[N@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000451333197 388263375 /nfs/dbraw/zinc/26/33/75/388263375.db2.gz JMMGMGYOXNCIKL-ZDUSSCGKSA-N 1 0 239.315 0.911 20 30 BCEDRO C#CCN(CC#N)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000491013497 388264733 /nfs/dbraw/zinc/26/47/33/388264733.db2.gz JSZPCJJPSZSEEC-RYUDHWBXSA-N 1 0 233.315 0.845 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@@H]1CCC[N@H+]1CCC ZINC000491015250 388265160 /nfs/dbraw/zinc/26/51/60/388265160.db2.gz XFGBMVFAKMGQKP-LBPRGKRZSA-N 1 0 233.315 0.846 20 30 BCEDRO C#CC[NH+]1CCC([C@@H](C)NC(C)=O)CC1 ZINC000491041167 388266898 /nfs/dbraw/zinc/26/68/98/388266898.db2.gz XVWAMTMURVHNKW-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCN(C)CCC[NH2+]C1CCN(C=O)CC1 ZINC000491072713 388267760 /nfs/dbraw/zinc/26/77/60/388267760.db2.gz VDTIJNZLHYBTMK-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CC[NH+]1CCC(OC(=O)N(C)C)CC1 ZINC000491071049 388268080 /nfs/dbraw/zinc/26/80/80/388268080.db2.gz HMXYQYOUWGPZIL-UHFFFAOYSA-N 1 0 210.277 0.782 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646337643 388268918 /nfs/dbraw/zinc/26/89/18/388268918.db2.gz JOVYYLUZAWTYMX-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](C)OC)CC1 ZINC000491103332 388269165 /nfs/dbraw/zinc/26/91/65/388269165.db2.gz OUVLMSHNEZNKBJ-LLVKDONJSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000491120169 388271063 /nfs/dbraw/zinc/27/10/63/388271063.db2.gz LNQODXAEYUFGLQ-NWDGAFQWSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000491120978 388271104 /nfs/dbraw/zinc/27/11/04/388271104.db2.gz OWRKAFZWGXETHX-LBPRGKRZSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](C)O[C@H](CC)C1 ZINC000491120791 388271402 /nfs/dbraw/zinc/27/14/02/388271402.db2.gz NTVHCEJJMRSCAR-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1cnn(C)c1C ZINC000491164734 388273145 /nfs/dbraw/zinc/27/31/45/388273145.db2.gz FEKYDMSWCWLALY-JTQLQIEISA-N 1 0 248.330 0.519 20 30 BCEDRO C#CCN(C)C[C@H]1CCCS(=O)(=O)C1 ZINC000491167742 388273971 /nfs/dbraw/zinc/27/39/71/388273971.db2.gz ZCXPLFOUMDVYEB-SNVBAGLBSA-N 1 0 215.318 0.376 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@]1(CCC)CCOC1 ZINC000491165750 388273999 /nfs/dbraw/zinc/27/39/99/388273999.db2.gz NAKZJDVYAWWTIY-ZDUSSCGKSA-N 1 0 238.331 0.675 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000491165679 388274463 /nfs/dbraw/zinc/27/44/63/388274463.db2.gz MVMFRPLRXMCZRD-LBPRGKRZSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCNC(=O)CC[N@H+](CC#C)CC#CC ZINC000491202160 388277467 /nfs/dbraw/zinc/27/74/67/388277467.db2.gz MFDSYSZJGGUWLI-UHFFFAOYSA-N 1 0 216.284 0.084 20 30 BCEDRO N#Cc1ccc2c(c1)CN(C(=O)CC[NH3+])C2 ZINC000594453028 388355669 /nfs/dbraw/zinc/35/56/69/388355669.db2.gz RZRNPEXLIXGTKA-UHFFFAOYSA-N 1 0 215.256 0.749 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@]1(C)CCO[C@@H]1C ZINC000235516452 388370754 /nfs/dbraw/zinc/37/07/54/388370754.db2.gz KQROOBFMKVDQKG-HOSYDEDBSA-N 1 0 224.304 0.281 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(C#N)cn1 ZINC000132965943 388374093 /nfs/dbraw/zinc/37/40/93/388374093.db2.gz ZVJWBLYQEOYEGU-LBPRGKRZSA-N 1 0 234.303 0.678 20 30 BCEDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(C#N)o1 ZINC000227972631 388375598 /nfs/dbraw/zinc/37/55/98/388375598.db2.gz VAMMOIUWGNFCDZ-CABZTGNLSA-N 1 0 236.271 0.781 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C[NH3+])CC(C)C ZINC000236672679 388381214 /nfs/dbraw/zinc/38/12/14/388381214.db2.gz JLMZSZGDNAHPRO-JTQLQIEISA-N 1 0 234.365 0.855 20 30 BCEDRO C[NH+](C)CCNC(=O)NCc1ccc(C#N)cc1 ZINC000133415562 388384979 /nfs/dbraw/zinc/38/49/79/388384979.db2.gz XTZZOHVKMVBKOL-UHFFFAOYSA-N 1 0 246.314 0.919 20 30 BCEDRO COC[C@@](C)(C#N)NC(=O)/C=C/C[NH+](C)C ZINC000492204357 388338347 /nfs/dbraw/zinc/33/83/47/388338347.db2.gz ZGAZARUTNNMCPY-MVIFTORASA-N 1 0 225.292 0.149 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1ccc(OC)nc1 ZINC000393837050 388444356 /nfs/dbraw/zinc/44/43/56/388444356.db2.gz OKEVHJVYPONUPU-UHFFFAOYSA-N 1 0 235.287 0.482 20 30 BCEDRO C=CCNC(=O)CN1CCC([NH+](C)C)CC1 ZINC000193814691 388459661 /nfs/dbraw/zinc/45/96/61/388459661.db2.gz LLCNIXBPVKWYIM-UHFFFAOYSA-N 1 0 225.336 0.315 20 30 BCEDRO CC#CCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648855514 388471783 /nfs/dbraw/zinc/47/17/83/388471783.db2.gz UIBPKXXLFVIZIP-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO COC[C@](C)(CCO)[NH2+]CCOCCC#N ZINC000339017870 388478474 /nfs/dbraw/zinc/47/84/74/388478474.db2.gz RSEDUNDCMGJVLE-NSHDSACASA-N 1 0 230.308 0.294 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1c[nH]c(C#N)c1 ZINC000272001536 388418226 /nfs/dbraw/zinc/41/82/26/388418226.db2.gz OEYCPZTVCBRPQJ-UHFFFAOYSA-N 1 0 220.276 0.520 20 30 BCEDRO C=CCCOCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000646700109 388420214 /nfs/dbraw/zinc/42/02/14/388420214.db2.gz MMAUWOCGZKPJJZ-LLVKDONJSA-N 1 0 226.320 0.695 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000424460264 256713622 /nfs/dbraw/zinc/71/36/22/256713622.db2.gz AXAUZSALLQYLHQ-DCAQKATOSA-N 1 0 241.335 0.566 20 30 BCEDRO C#CCN(CCOC)CC[NH+](CC)CC ZINC000177369855 388481930 /nfs/dbraw/zinc/48/19/30/388481930.db2.gz JWTMYUNLHIZXRY-UHFFFAOYSA-N 1 0 212.337 0.910 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000528519113 388541574 /nfs/dbraw/zinc/54/15/74/388541574.db2.gz LOZBRVFBOQGMNV-TUAOUCFPSA-N 1 0 241.331 0.586 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000517199409 388541819 /nfs/dbraw/zinc/54/18/19/388541819.db2.gz UJRVPQAMWHKPIM-NWDGAFQWSA-N 1 0 229.320 0.254 20 30 BCEDRO N#C[C@@H]1CCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528561316 388547224 /nfs/dbraw/zinc/54/72/24/388547224.db2.gz QHDACGANFBTCPS-QWRGUYRKSA-N 1 0 224.304 0.498 20 30 BCEDRO C[C@]1(C#N)CCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528561265 388547502 /nfs/dbraw/zinc/54/75/02/388547502.db2.gz PNYZWPQPLYIXRV-NWDGAFQWSA-N 1 0 238.331 0.888 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000646761639 388484772 /nfs/dbraw/zinc/48/47/72/388484772.db2.gz TYXBJUMYDRNXAF-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO Cc1cncn1CC(=O)NC1(C#N)CC1 ZINC000528577258 388548518 /nfs/dbraw/zinc/54/85/18/388548518.db2.gz BCUGBSJLFUIHDG-UHFFFAOYSA-N 1 0 204.233 0.364 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000649273266 388488027 /nfs/dbraw/zinc/48/80/27/388488027.db2.gz VWAORZRUZYJXGW-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000491618524 256788747 /nfs/dbraw/zinc/78/87/47/256788747.db2.gz AIUXQQQPWIBFRV-NEPJUHHUSA-N 1 0 235.331 0.780 20 30 BCEDRO CC#CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000135625654 388502568 /nfs/dbraw/zinc/50/25/68/388502568.db2.gz UHWZNHKUASGCIS-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO CC#CCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000135613442 388503008 /nfs/dbraw/zinc/50/30/08/388503008.db2.gz KMLUILLYJIQFBP-NSHDSACASA-N 1 0 235.331 0.793 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[N@@H+](CC)C2)nn1 ZINC000648931170 388504437 /nfs/dbraw/zinc/50/44/37/388504437.db2.gz QLJGHFIKIVZAGV-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO COC(=O)N1CC(NC(=[NH2+])NC(C)(C)C)C1 ZINC000179015090 388508073 /nfs/dbraw/zinc/50/80/73/388508073.db2.gz NYLRZUXWGCEETL-UHFFFAOYSA-N 1 0 228.296 0.140 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000614250320 388510447 /nfs/dbraw/zinc/51/04/47/388510447.db2.gz ODCBITBVOFIACN-ZYHUDNBSSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000614249923 388510612 /nfs/dbraw/zinc/51/06/12/388510612.db2.gz IDBMMWJHZSAJON-ZJUUUORDSA-N 1 0 214.309 0.380 20 30 BCEDRO C[C@@H]1CN(C)CC[N@@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528381239 388518365 /nfs/dbraw/zinc/51/83/65/388518365.db2.gz PNGFSCUJZSHMGG-VXGBXAGGSA-N 1 0 237.347 0.677 20 30 BCEDRO Cn1cncc1CC(=O)NC1(C#N)CCCC1 ZINC000548194557 388519804 /nfs/dbraw/zinc/51/98/04/388519804.db2.gz RMEUGZXGFJXGGX-UHFFFAOYSA-N 1 0 232.287 0.915 20 30 BCEDRO C=CCNC(=O)CN[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000347348241 388521536 /nfs/dbraw/zinc/52/15/36/388521536.db2.gz UDLCGQUQQUSQQB-RYUDHWBXSA-N 1 0 237.347 0.505 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000347348242 388523254 /nfs/dbraw/zinc/52/32/54/388523254.db2.gz UDLCGQUQQUSQQB-VXGBXAGGSA-N 1 0 237.347 0.505 20 30 BCEDRO C[C@H](CC[NH3+])NC(=O)C1(C#N)CCCC1 ZINC000517037745 388535003 /nfs/dbraw/zinc/53/50/03/388535003.db2.gz LRYHYXFDLNZSCF-SECBINFHSA-N 1 0 209.293 0.924 20 30 BCEDRO C[C@@H](Nc1ccc(C#N)nn1)[C@H]1CN(C)CCO1 ZINC000301981141 388618028 /nfs/dbraw/zinc/61/80/28/388618028.db2.gz XUQMUZQXRNUPBJ-MWLCHTKSSA-N 1 0 247.302 0.479 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000121957661 135225746 /nfs/dbraw/zinc/22/57/46/135225746.db2.gz ITIRJZZCIAEXLG-MXWKQRLJSA-N 1 0 208.305 0.997 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000646814726 388551247 /nfs/dbraw/zinc/55/12/47/388551247.db2.gz MPPULWQBYDQOCB-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCCC[C@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528634792 388553352 /nfs/dbraw/zinc/55/33/52/388553352.db2.gz NXTMMSJBTUGVCZ-AXFHLTTASA-N 1 0 226.320 0.652 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccc[nH]2)CC1 ZINC000517580989 388554648 /nfs/dbraw/zinc/55/46/48/388554648.db2.gz BUQWKFWSFLAHRG-UHFFFAOYSA-N 1 0 232.287 0.732 20 30 BCEDRO CS[C@@H](C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000521242251 388565612 /nfs/dbraw/zinc/56/56/12/388565612.db2.gz XRMDSYYNLNWZBM-VIFPVBQESA-N 1 0 241.360 0.842 20 30 BCEDRO CS[C@H](C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000521242250 388565819 /nfs/dbraw/zinc/56/58/19/388565819.db2.gz XRMDSYYNLNWZBM-SECBINFHSA-N 1 0 241.360 0.842 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)CCCCC#N ZINC000081530039 388581102 /nfs/dbraw/zinc/58/11/02/388581102.db2.gz TVNRGTMHSRDNRB-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO Cc1nsc(NC(=O)N[C@H](C)C[NH3+])c1C#N ZINC000415724159 388669501 /nfs/dbraw/zinc/66/95/01/388669501.db2.gz NFHUVCHGKBCMLD-RXMQYKEDSA-N 1 0 239.304 0.792 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)NCc1cccc(C#N)c1 ZINC000417002417 388673292 /nfs/dbraw/zinc/67/32/92/388673292.db2.gz WZWKSCUDHNASJW-VIFPVBQESA-N 1 0 232.287 0.705 20 30 BCEDRO C#CCN(C)CCCS(=O)(=O)C(C)C ZINC000192220052 388677044 /nfs/dbraw/zinc/67/70/44/388677044.db2.gz MCZOJWSPGUBSJY-UHFFFAOYSA-N 1 0 217.334 0.765 20 30 BCEDRO C[NH+](C)C1CN(c2ccc(C#N)nc2)C1 ZINC000302125107 388619293 /nfs/dbraw/zinc/61/92/93/388619293.db2.gz HYBDBJAFDXDIMF-UHFFFAOYSA-N 1 0 202.261 0.703 20 30 BCEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1COC[C@H]1O ZINC000302354220 388620913 /nfs/dbraw/zinc/62/09/13/388620913.db2.gz JCFYMMLQDBGEAW-QWHCGFSZSA-N 1 0 232.283 0.750 20 30 BCEDRO C=CCCOCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000646847623 388624109 /nfs/dbraw/zinc/62/41/09/388624109.db2.gz BRFPNRQJSCNHGY-QWRGUYRKSA-N 1 0 242.319 0.154 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627051673 388626594 /nfs/dbraw/zinc/62/65/94/388626594.db2.gz PMYOHWKTNNUGFB-ZDCRXTMVSA-N 1 0 239.319 0.380 20 30 BCEDRO C[C@@H]([NH3+])C(=O)N1Cc2cccc(C#N)c2C1 ZINC000405112726 388637414 /nfs/dbraw/zinc/63/74/14/388637414.db2.gz PPOPNFQSRRSFCF-MRVPVSSYSA-N 1 0 215.256 0.748 20 30 BCEDRO C#CC[NH2+][C@@]1(CO)C[C@@H](OCC)C1(C)C ZINC000190013255 388646182 /nfs/dbraw/zinc/64/61/82/388646182.db2.gz PBEMQSHGTURXPF-ZYHUDNBSSA-N 1 0 211.305 0.775 20 30 BCEDRO N#Cc1cncc(N2CC[C@H]([NH+]3CC=CC3)C2)n1 ZINC000516967073 388659656 /nfs/dbraw/zinc/65/96/56/388659656.db2.gz GUKHSOLKDPTHRH-LBPRGKRZSA-N 1 0 241.298 0.799 20 30 BCEDRO COc1cc(C#N)ccc1Cn1nnnc1C[NH3+] ZINC000517932081 388661778 /nfs/dbraw/zinc/66/17/78/388661778.db2.gz BUHXJAVARLPNFK-UHFFFAOYSA-N 1 0 244.258 0.060 20 30 BCEDRO CN(C[C@@H]1CC[NH2+]C1)c1ncccc1C#N ZINC000095071230 388757354 /nfs/dbraw/zinc/75/73/54/388757354.db2.gz SVTCAWAMKGLBPT-SNVBAGLBSA-N 1 0 216.288 0.999 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCC[NH+](C)C ZINC000194674910 388739861 /nfs/dbraw/zinc/73/98/61/388739861.db2.gz NNOVXCGRHBNFKZ-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1ccc(C#N)n1C ZINC000448974126 388746845 /nfs/dbraw/zinc/74/68/45/388746845.db2.gz ADHZNUKZYPHPEG-UHFFFAOYSA-N 1 0 234.303 0.578 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[NH+]3CCC2CC3)n1 ZINC000376473501 388722080 /nfs/dbraw/zinc/72/20/80/388722080.db2.gz HSXIFYNQLJSZEU-UHFFFAOYSA-N 1 0 243.314 0.941 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249532858 388727492 /nfs/dbraw/zinc/72/74/92/388727492.db2.gz BLVTZUHELPDYOC-QWRGUYRKSA-N 1 0 208.305 0.986 20 30 BCEDRO CC[C@@H](CO)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555552220 388793487 /nfs/dbraw/zinc/79/34/87/388793487.db2.gz LJGPDWDDLHPPTQ-NSHDSACASA-N 1 0 245.286 0.461 20 30 BCEDRO C#C[C@H](CC)[NH2+]Cc1cnc(N(C)C)n1C ZINC000229875765 388801115 /nfs/dbraw/zinc/80/11/15/388801115.db2.gz XIFWTESXTCHQCL-SNVBAGLBSA-N 1 0 220.320 0.988 20 30 BCEDRO N#CCC[C@H](C#N)C[NH2+]CCNC(=O)C1CC1 ZINC000554476037 388816479 /nfs/dbraw/zinc/81/64/79/388816479.db2.gz GMCUZBNHKHUYRM-SNVBAGLBSA-N 1 0 234.303 0.546 20 30 BCEDRO C#CCNC(=O)[C@H]([NH3+])c1ccc(C)cc1 ZINC000230797496 388830770 /nfs/dbraw/zinc/83/07/70/388830770.db2.gz RXVGEMVSRRDMPU-LLVKDONJSA-N 1 0 202.257 0.744 20 30 BCEDRO CC#CCCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000541746415 388866408 /nfs/dbraw/zinc/86/64/08/388866408.db2.gz OWJGIELYEQWWRS-NSHDSACASA-N 1 0 240.372 0.953 20 30 BCEDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000564845417 388894074 /nfs/dbraw/zinc/89/40/74/388894074.db2.gz XVJBAQUJYTYCJC-UPJWGTAASA-N 1 0 239.363 0.971 20 30 BCEDRO CN1C(=O)C[C@@H]([NH+]2CCC(CC#N)CC2)C1=O ZINC000541906118 388875317 /nfs/dbraw/zinc/87/53/17/388875317.db2.gz WZACNCZJJYYSJA-SNVBAGLBSA-N 1 0 235.287 0.369 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000152993838 388912458 /nfs/dbraw/zinc/91/24/58/388912458.db2.gz OUJOTVIALIOEFU-AOOOYVTPSA-N 1 0 207.277 0.358 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CC(C)(C#N)C1 ZINC000565233734 388930259 /nfs/dbraw/zinc/93/02/59/388930259.db2.gz RIDPEVHPCRCYMO-LLVKDONJSA-N 1 0 225.336 0.533 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000565598832 388956911 /nfs/dbraw/zinc/95/69/11/388956911.db2.gz ZGCREYOAJSXKLO-GFCCVEGCSA-N 1 0 235.283 0.012 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)CSC ZINC000565841943 388972350 /nfs/dbraw/zinc/97/23/50/388972350.db2.gz NIHQNWPHUNQMBG-RKDXNWHRSA-N 1 0 202.323 0.992 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)CSC ZINC000565841938 388972404 /nfs/dbraw/zinc/97/24/04/388972404.db2.gz NIHQNWPHUNQMBG-BDAKNGLRSA-N 1 0 202.323 0.992 20 30 BCEDRO COC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(C)C ZINC000566094641 388986827 /nfs/dbraw/zinc/98/68/27/388986827.db2.gz KFYSBEDTFVIGEH-QWRGUYRKSA-N 1 0 241.335 0.795 20 30 BCEDRO CC#CC[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000273395477 389040636 /nfs/dbraw/zinc/04/06/36/389040636.db2.gz JDSYJQBEBPJRFE-GFCCVEGCSA-N 1 0 216.284 0.696 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[NH+]1CCCCC1 ZINC000184384696 533523967 /nfs/dbraw/zinc/52/39/67/533523967.db2.gz YKDJEVLEGYKBLM-UHFFFAOYSA-N 1 0 246.376 0.968 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336155783 533527722 /nfs/dbraw/zinc/52/77/22/533527722.db2.gz NCGXFRINQZOFSS-WDEREUQCSA-N 1 0 246.376 0.965 20 30 BCEDRO C=C(C)C[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000182386647 533495578 /nfs/dbraw/zinc/49/55/78/533495578.db2.gz VFFXWWTUKSNLJT-UHFFFAOYSA-N 1 0 225.336 0.268 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366777825 533512314 /nfs/dbraw/zinc/51/23/14/533512314.db2.gz OOSWUJHBTPZNRJ-ZJUUUORDSA-N 1 0 210.277 0.152 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366777822 533512697 /nfs/dbraw/zinc/51/26/97/533512697.db2.gz OOSWUJHBTPZNRJ-NXEZZACHSA-N 1 0 210.277 0.152 20 30 BCEDRO C=C(C)CNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000335295325 533515289 /nfs/dbraw/zinc/51/52/89/533515289.db2.gz IIYJCPSIGVXGLD-ZJUUUORDSA-N 1 0 211.309 0.860 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC000301961408 132259115 /nfs/dbraw/zinc/25/91/15/132259115.db2.gz IAFSDJVKCNFGCL-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000308843686 133450219 /nfs/dbraw/zinc/45/02/19/133450219.db2.gz LBQUMHPHWQDHSX-KXUCPTDWSA-N 1 0 209.293 0.922 20 30 BCEDRO C#CC[NH2+][C@H]1CCCC[C@H]1N1CCOCC1 ZINC000372696789 133442918 /nfs/dbraw/zinc/44/29/18/133442918.db2.gz QNOMDBQCFRLDEA-QWHCGFSZSA-N 1 0 222.332 0.853 20 30 BCEDRO C[NH+]=C(NCC(F)F)N1CC[C@@]2(CCOC2)C1 ZINC000158050809 133496455 /nfs/dbraw/zinc/49/64/55/133496455.db2.gz OGIUBZFTWNWZCF-LLVKDONJSA-N 1 0 247.289 0.939 20 30 BCEDRO CNC(=[NH2+])NCCc1ccccc1OC ZINC000161475353 133514303 /nfs/dbraw/zinc/51/43/03/133514303.db2.gz CLDMCAOIRJLEBP-UHFFFAOYSA-N 1 0 207.277 0.772 20 30 BCEDRO Cc1c(CNC(=[NH2+])N(C)C2CC2)cnn1C ZINC000273366898 133545378 /nfs/dbraw/zinc/54/53/78/133545378.db2.gz UPTNBMSDGUQVGA-UHFFFAOYSA-N 1 0 221.308 0.637 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@@H](CC)[NH+](C)C ZINC000185731114 133670676 /nfs/dbraw/zinc/67/06/76/133670676.db2.gz WFVAITFGPMENOW-NXEZZACHSA-N 1 0 214.309 0.380 20 30 BCEDRO C=CC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)C1CC1 ZINC000331876205 134002898 /nfs/dbraw/zinc/00/28/98/134002898.db2.gz KOINTEADZWOJQP-VIFPVBQESA-N 1 0 237.303 0.577 20 30 BCEDRO CCC[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000331983507 134002963 /nfs/dbraw/zinc/00/29/63/134002963.db2.gz CZCRZZIBWPVXRX-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO CC[NH+](CC)CC(=O)N[C@@H](C#N)C(C)C ZINC000332532197 134006012 /nfs/dbraw/zinc/00/60/12/134006012.db2.gz YNVHNLORUYQRTB-JTQLQIEISA-N 1 0 211.309 0.993 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CCOC[C@H](C)C2)C1=O ZINC000335920507 134007198 /nfs/dbraw/zinc/00/71/98/134007198.db2.gz MMQDUHXHWAFRKK-VXGBXAGGSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCNC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000351928804 134009472 /nfs/dbraw/zinc/00/94/72/134009472.db2.gz WFJWQXVUGNQCEK-MNOVXSKESA-N 1 0 225.336 0.313 20 30 BCEDRO C[C@@H](C#N)NC(=O)C12CCC[NH+]1CCC2 ZINC000335930184 134010615 /nfs/dbraw/zinc/01/06/15/134010615.db2.gz SMDGQVFCXGRNRX-VIFPVBQESA-N 1 0 207.277 0.643 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000352008074 134035132 /nfs/dbraw/zinc/03/51/32/134035132.db2.gz ZSJWJWWMMFNUSF-MNOVXSKESA-N 1 0 226.320 0.740 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)O ZINC000352202197 134101562 /nfs/dbraw/zinc/10/15/62/134101562.db2.gz IURKIEXIBZKXNV-VHSXEESVSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000336155552 134105760 /nfs/dbraw/zinc/10/57/60/134105760.db2.gz ORPXRYDMGKVKDD-UHFFFAOYSA-N 1 0 246.376 0.918 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC([NH+](C)C)C1 ZINC000336203256 134131126 /nfs/dbraw/zinc/13/11/26/134131126.db2.gz PMKPHZNYOSYISR-KCJUWKMLSA-N 1 0 207.277 0.309 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000336300006 134142429 /nfs/dbraw/zinc/14/24/29/134142429.db2.gz WBHHTYYZAOEUDQ-SNVBAGLBSA-N 1 0 211.309 0.908 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)NC2(C#N)CCC2)C1 ZINC000336469814 134148215 /nfs/dbraw/zinc/14/82/15/134148215.db2.gz YJRGNGDTRAIXHP-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCCN(C(N)=O)CC1 ZINC000305074135 134159926 /nfs/dbraw/zinc/15/99/26/134159926.db2.gz KKHCPNXSYVAJMI-NSHDSACASA-N 1 0 241.335 0.400 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000305096275 134160048 /nfs/dbraw/zinc/16/00/48/134160048.db2.gz SWNFNGJTIRZOBJ-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO CC#CC[N@@H+]1C[C@H](CO)[C@@H](c2cnn(C)c2)C1 ZINC000354835546 134170073 /nfs/dbraw/zinc/17/00/73/134170073.db2.gz VYPIHSHRKNEWFV-CHWSQXEVSA-N 1 0 233.315 0.451 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)NCCCC#N ZINC000355067051 134171574 /nfs/dbraw/zinc/17/15/74/134171574.db2.gz WBYIZFINSJTLML-VIFPVBQESA-N 1 0 212.297 0.539 20 30 BCEDRO C=CCOCC(=O)NCCNc1cc[nH+]cc1 ZINC000355552982 134173644 /nfs/dbraw/zinc/17/36/44/134173644.db2.gz GSCZJQFQHPTAIA-UHFFFAOYSA-N 1 0 235.287 0.234 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000355817255 134175310 /nfs/dbraw/zinc/17/53/10/134175310.db2.gz HRXIVXBKIXTEHR-ZDUSSCGKSA-N 1 0 240.347 0.866 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000358127584 134186798 /nfs/dbraw/zinc/18/67/98/134186798.db2.gz PUDMHUGOXIDDBP-ZJUUUORDSA-N 1 0 221.304 0.913 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC[N@@H+](C)CCCC ZINC000358644656 134191691 /nfs/dbraw/zinc/19/16/91/134191691.db2.gz BYAOXDZLYUQICR-LLVKDONJSA-N 1 0 243.351 0.564 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000358655595 134192188 /nfs/dbraw/zinc/19/21/88/134192188.db2.gz ADDRAOIPNCSMMI-GVXVVHGQSA-N 1 0 240.347 0.865 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC[N@@H+](CC)CCC ZINC000358845821 134192710 /nfs/dbraw/zinc/19/27/10/134192710.db2.gz OJSPGLOCJGYLPQ-LLVKDONJSA-N 1 0 243.351 0.564 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000358997233 134193342 /nfs/dbraw/zinc/19/33/42/134193342.db2.gz TVSGBMRRJYXZMS-NSHDSACASA-N 1 0 248.330 0.689 20 30 BCEDRO CC#CCC[NH+]1CCC(O)(C(=O)OCC)CC1 ZINC000360450334 134200655 /nfs/dbraw/zinc/20/06/55/134200655.db2.gz VFAOYKAFOULNLT-UHFFFAOYSA-N 1 0 239.315 0.790 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000361111939 134203704 /nfs/dbraw/zinc/20/37/04/134203704.db2.gz ZIYDWKRLGMFSMY-NEPJUHHUSA-N 1 0 237.347 0.315 20 30 BCEDRO CC[N@H+](CC(=O)N1CC(C)(C#N)C1)C1CC1 ZINC000361233380 134204089 /nfs/dbraw/zinc/20/40/89/134204089.db2.gz XCRDCZMQRJJQHW-UHFFFAOYSA-N 1 0 221.304 0.843 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](OC)C1 ZINC000361357910 134204678 /nfs/dbraw/zinc/20/46/78/134204678.db2.gz UOZOIRDXSAAIRT-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCC#N ZINC000362609168 134212699 /nfs/dbraw/zinc/21/26/99/134212699.db2.gz PLIUKUNUHAHTRU-VHSXEESVSA-N 1 0 209.293 0.556 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCC#N)CCC#N ZINC000362605921 134212786 /nfs/dbraw/zinc/21/27/86/134212786.db2.gz JPJGXYFTKNUCSV-NEPJUHHUSA-N 1 0 248.330 0.840 20 30 BCEDRO N#CCNC(=O)C[NH+](CC1CC1)CC1CC1 ZINC000115564360 134215711 /nfs/dbraw/zinc/21/57/11/134215711.db2.gz SSEJFIJADBIQQX-UHFFFAOYSA-N 1 0 221.304 0.748 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000367828831 134216440 /nfs/dbraw/zinc/21/64/40/134216440.db2.gz IMWUPMIGIUEIRD-VHSXEESVSA-N 1 0 222.288 0.547 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368061474 134217326 /nfs/dbraw/zinc/21/73/26/134217326.db2.gz ISHZKAPJHLTJMV-SDDRHHMPSA-N 1 0 238.331 0.381 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H]2CCOC(=O)[C@@H]21 ZINC000368376489 134218417 /nfs/dbraw/zinc/21/84/17/134218417.db2.gz FHGTVXLDWCJWLY-SDDRHHMPSA-N 1 0 239.315 0.951 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](OC)CC1 ZINC000369581142 134223080 /nfs/dbraw/zinc/22/30/80/134223080.db2.gz YMMRNYMQVGREQZ-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000370258842 134225328 /nfs/dbraw/zinc/22/53/28/134225328.db2.gz APIPITRROGVZOD-KUMVTMCRSA-N 1 0 225.292 0.171 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000370266034 134225569 /nfs/dbraw/zinc/22/55/69/134225569.db2.gz LADGLQBZSZOFKC-GBKBBYRWSA-N 1 0 225.292 0.171 20 30 BCEDRO CC#CCN1CCC[C@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000370355083 134225862 /nfs/dbraw/zinc/22/58/62/134225862.db2.gz KERCEPFAEZGSCH-UONOGXRCSA-N 1 0 236.359 0.931 20 30 BCEDRO N#C[C@@H]1COCCN1C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000370637879 134226317 /nfs/dbraw/zinc/22/63/17/134226317.db2.gz SBLZBTSOJVGKFL-VXGBXAGGSA-N 1 0 249.314 0.079 20 30 BCEDRO C#CCC[N@@H+]1CCC[C@@H]1Cn1cncn1 ZINC000371206307 134228082 /nfs/dbraw/zinc/22/80/82/134228082.db2.gz FMNWODPNYGXMSM-LLVKDONJSA-N 1 0 204.277 0.766 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1C[C@H](O)c1cnn(C)c1 ZINC000371458966 134228900 /nfs/dbraw/zinc/22/89/00/134228900.db2.gz MSUNNIAHMVWDHZ-STQMWFEESA-N 1 0 233.315 0.941 20 30 BCEDRO C[C@@H](CC#N)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000371980620 134230054 /nfs/dbraw/zinc/23/00/54/134230054.db2.gz RIFHCTLJUMANTK-GXSJLCMTSA-N 1 0 221.304 0.747 20 30 BCEDRO C=C(Cl)CNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000372899186 134233002 /nfs/dbraw/zinc/23/30/02/134233002.db2.gz YLCUZYLCQXNIIA-UHFFFAOYSA-N 1 0 240.694 0.538 20 30 BCEDRO NC(=[NH2+])NCc1ccccc1-n1ccnc1 ZINC000303255450 134233059 /nfs/dbraw/zinc/23/30/59/134233059.db2.gz GFOLRCMCSGLADL-UHFFFAOYSA-N 1 0 215.260 0.646 20 30 BCEDRO NC(=[NH2+])NCc1cnn(-c2ccccc2)c1 ZINC000303269062 134233405 /nfs/dbraw/zinc/23/34/05/134233405.db2.gz ZSJKBCHFYXKZSS-UHFFFAOYSA-N 1 0 215.260 0.646 20 30 BCEDRO NC(=[NH2+])NCc1ccc(-n2ccnc2)c(F)c1 ZINC000303259947 134233428 /nfs/dbraw/zinc/23/34/28/134233428.db2.gz MKYROCGOKBNDBO-UHFFFAOYSA-N 1 0 233.250 0.785 20 30 BCEDRO C#CCCNC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000373177501 134233662 /nfs/dbraw/zinc/23/36/62/134233662.db2.gz JLURGWCACIXVEG-NEPJUHHUSA-N 1 0 235.331 0.745 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000375297998 134239246 /nfs/dbraw/zinc/23/92/46/134239246.db2.gz XDWTVFSIRNZYHS-CYBMUJFWSA-N 1 0 238.331 0.791 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000375624488 134240106 /nfs/dbraw/zinc/24/01/06/134240106.db2.gz OWWPFODQAJRXFX-LLVKDONJSA-N 1 0 244.360 0.366 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)CO ZINC000305431468 134241417 /nfs/dbraw/zinc/24/14/17/134241417.db2.gz FDNRNIYWUAHMQV-GHMZBOCLSA-N 1 0 241.335 0.307 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)Nc1ccccn1 ZINC000170904996 134254928 /nfs/dbraw/zinc/25/49/28/134254928.db2.gz UHZNYOJDVOSUNN-VIFPVBQESA-N 1 0 220.276 0.987 20 30 BCEDRO C[NH+]=C(NCC(=O)NC(C)C)NC1CCCC1 ZINC000171613709 134259779 /nfs/dbraw/zinc/25/97/79/134259779.db2.gz SLNLLIZWZDSMCZ-UHFFFAOYSA-N 1 0 240.351 0.619 20 30 BCEDRO CNC(=O)[C@H]([NH2+]CCCSCC#N)C(C)C ZINC000183686906 134353087 /nfs/dbraw/zinc/35/30/87/134353087.db2.gz RLPAOFMNDLTQRT-SNVBAGLBSA-N 1 0 243.376 0.993 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000185205725 134375052 /nfs/dbraw/zinc/37/50/52/134375052.db2.gz QMULUMMIUZBVAP-CHWSQXEVSA-N 1 0 241.331 0.805 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(CC)(CO)CC1 ZINC000305743296 134393534 /nfs/dbraw/zinc/39/35/34/134393534.db2.gz OGKRCCHECMFLBV-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO C[C@@H](O)C[N@@H+]1CCN(CC2(C#N)CC2)C[C@@H]1C ZINC000408110535 134394863 /nfs/dbraw/zinc/39/48/63/134394863.db2.gz RFIYBPCFXYOGMK-NWDGAFQWSA-N 1 0 237.347 0.677 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)CC[NH+]1CCCC1 ZINC000063053020 134485567 /nfs/dbraw/zinc/48/55/67/134485567.db2.gz JBMMUBIKTHYAKU-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO COC[C@H](O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309044088 134598268 /nfs/dbraw/zinc/59/82/68/134598268.db2.gz NEBDMBIXRAKSRZ-OUAUKWLOSA-N 1 0 212.293 0.666 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NCCC[NH+](C)C ZINC000136176042 134786434 /nfs/dbraw/zinc/78/64/34/134786434.db2.gz SZKUBUZRRZPCPU-LLVKDONJSA-N 1 0 211.309 0.994 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1(CO)CCOCC1 ZINC000160771998 134833136 /nfs/dbraw/zinc/83/31/36/134833136.db2.gz KCSXDHCWFVLRNX-UHFFFAOYSA-N 1 0 241.335 0.256 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1nc(C)cs1 ZINC000170909521 134878774 /nfs/dbraw/zinc/87/87/74/134878774.db2.gz GNXHFHCAQCRKIY-ZETCQYMHSA-N 1 0 242.348 0.891 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1cc(C)no1 ZINC000170911935 134879596 /nfs/dbraw/zinc/87/95/96/134879596.db2.gz QCPVZUVMZGTENS-QMMMGPOBSA-N 1 0 226.280 0.422 20 30 BCEDRO CC#CCNC(=O)NC1CCC([NH3+])CC1 ZINC000335609551 134937969 /nfs/dbraw/zinc/93/79/69/134937969.db2.gz FMJUUNGQTHVKJU-UHFFFAOYSA-N 1 0 209.293 0.579 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2CCCO2)C1=O ZINC000337137964 135001072 /nfs/dbraw/zinc/00/10/72/135001072.db2.gz OOKAILVYWJKHDU-VXGBXAGGSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H](COC)C2CC2)C1=O ZINC000337172732 135002709 /nfs/dbraw/zinc/00/27/09/135002709.db2.gz FRUVELLBOSQTIA-VXGBXAGGSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](OC)C2)C1=O ZINC000337194100 135003874 /nfs/dbraw/zinc/00/38/74/135003874.db2.gz VEMBTZMUVGVJPA-MNOVXSKESA-N 1 0 224.304 0.494 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H]2CCOC2)C1=O ZINC000337180099 135004597 /nfs/dbraw/zinc/00/45/97/135004597.db2.gz LZFCJJHGFLLESJ-RYUDHWBXSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CCO)C2CCC2)C1=O ZINC000337203871 135005389 /nfs/dbraw/zinc/00/53/89/135005389.db2.gz IEXDYLOLRFKMHO-LBPRGKRZSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)CCCCCO)C1=O ZINC000337242462 135007787 /nfs/dbraw/zinc/00/77/87/135007787.db2.gz NPUZTTUVJWAPTE-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CCOCCCC(=O)NCC[NH+]1CCC1 ZINC000337323179 135012165 /nfs/dbraw/zinc/01/21/65/135012165.db2.gz RYHPFSJPEYCSHE-UHFFFAOYSA-N 1 0 226.320 0.791 20 30 BCEDRO C#CCOCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248633357 135017573 /nfs/dbraw/zinc/01/75/73/135017573.db2.gz PQMCRTVEOSXOQM-SDDRHHMPSA-N 1 0 236.315 0.222 20 30 BCEDRO CC[NH+](CC)CC(=O)N[C@](C)(C#N)COC ZINC000337539628 135019031 /nfs/dbraw/zinc/01/90/31/135019031.db2.gz XXJHKXSBHOHJFE-LLVKDONJSA-N 1 0 227.308 0.373 20 30 BCEDRO N#CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365810319 135024222 /nfs/dbraw/zinc/02/42/22/135024222.db2.gz ABSJEPNKLHUXEX-UWVGGRQHSA-N 1 0 207.277 0.501 20 30 BCEDRO C=C(C)C[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338284552 135031663 /nfs/dbraw/zinc/03/16/63/135031663.db2.gz BXGHUIRSTZPDPZ-NSHDSACASA-N 1 0 246.376 0.776 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338385365 135036452 /nfs/dbraw/zinc/03/64/52/135036452.db2.gz UOWJHZWILBUXJY-UTUOFQBUSA-N 1 0 227.304 0.413 20 30 BCEDRO C=CCC[N@@H+](C)C1CCN(CCO)CC1 ZINC000338548797 135038513 /nfs/dbraw/zinc/03/85/13/135038513.db2.gz YJRXMYVTPONJPG-UHFFFAOYSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@](F)(CO)C1 ZINC000338628820 135042910 /nfs/dbraw/zinc/04/29/10/135042910.db2.gz WMLUXHQVURYRNE-LLVKDONJSA-N 1 0 217.284 0.985 20 30 BCEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H](C)O ZINC000249726333 135043950 /nfs/dbraw/zinc/04/39/50/135043950.db2.gz OCVOQOFVDRGTNF-CMPLNLGQSA-N 1 0 241.335 0.353 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CCOCCC#N ZINC000339061471 135055473 /nfs/dbraw/zinc/05/54/73/135055473.db2.gz KULCDXRXLFIRNJ-VXGBXAGGSA-N 1 0 225.336 0.941 20 30 BCEDRO Cn1cc([C@H](CO)[NH2+][C@H]2CC[C@H](C#N)C2)cn1 ZINC000339086273 135056007 /nfs/dbraw/zinc/05/60/07/135056007.db2.gz ZCNOUGXEWQPEGP-DLOVCJGASA-N 1 0 234.303 0.735 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCN3CCOC[C@@H]3C2)C1 ZINC000339088702 135056757 /nfs/dbraw/zinc/05/67/57/135056757.db2.gz LNXBWXDMRUGENM-UPJWGTAASA-N 1 0 235.331 0.695 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2CCN3CCOC[C@H]3C2)C1 ZINC000339088701 135057218 /nfs/dbraw/zinc/05/72/18/135057218.db2.gz LNXBWXDMRUGENM-JHJVBQTASA-N 1 0 235.331 0.695 20 30 BCEDRO C=CCOCCN1CC[NH+](C[C@H](C)O)CC1 ZINC000339094431 135058207 /nfs/dbraw/zinc/05/82/07/135058207.db2.gz TVXSRMPKAHLODM-LBPRGKRZSA-N 1 0 228.336 0.187 20 30 BCEDRO CCN1CCN(CCOCCC#N)CC1=O ZINC000339090268 135058622 /nfs/dbraw/zinc/05/86/22/135058622.db2.gz VJTMQBZOLHASOX-UHFFFAOYSA-N 1 0 225.292 0.081 20 30 BCEDRO CN(CC#N)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000366274895 135061081 /nfs/dbraw/zinc/06/10/81/135061081.db2.gz WHJASANPMMWORW-JTQLQIEISA-N 1 0 207.277 0.310 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000339138078 135061205 /nfs/dbraw/zinc/06/12/05/135061205.db2.gz SURDZOLHKQXIOX-CYBMUJFWSA-N 1 0 242.363 0.842 20 30 BCEDRO CN(CC#N)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000366274903 135061486 /nfs/dbraw/zinc/06/14/86/135061486.db2.gz WHJASANPMMWORW-SNVBAGLBSA-N 1 0 207.277 0.310 20 30 BCEDRO C[C@H]1OCC[C@H]1[N@H+](CCO)CCOCCC#N ZINC000339149001 135063084 /nfs/dbraw/zinc/06/30/84/135063084.db2.gz QANNWSWOXFMCTI-VXGBXAGGSA-N 1 0 242.319 0.388 20 30 BCEDRO C[C@H]1C[C@@H](O)CC[N@@H+]1CCOCCC#N ZINC000339213091 135067456 /nfs/dbraw/zinc/06/74/56/135067456.db2.gz PIQOUBUTCJBDRD-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO C=CCNC(=O)NCCC[NH+]1CCCC1 ZINC000339329257 135070461 /nfs/dbraw/zinc/07/04/61/135070461.db2.gz NPGFIANFVLOUAE-UHFFFAOYSA-N 1 0 211.309 0.958 20 30 BCEDRO C=C(C)CC[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000339494547 135074106 /nfs/dbraw/zinc/07/41/06/135074106.db2.gz UFQQIOZKHRVZMS-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C[C@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC#N ZINC000251713712 135075343 /nfs/dbraw/zinc/07/53/43/135075343.db2.gz JNVQVYBTMLNWCD-UWVGGRQHSA-N 1 0 207.277 0.595 20 30 BCEDRO CC[N@H+](CC(=O)NC1(C#N)CCC1)[C@H](C)CO ZINC000339633585 135076369 /nfs/dbraw/zinc/07/63/69/135076369.db2.gz RMUBPIFTBUDIMD-SNVBAGLBSA-N 1 0 239.319 0.252 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](CC)[C@H](C)CO)C1=O ZINC000339634575 135076754 /nfs/dbraw/zinc/07/67/54/135076754.db2.gz ZLCYKRSNYIIEEU-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO Cc1cccnc1CNC1=[NH+]C[C@@H](C)N1 ZINC000261531090 135108782 /nfs/dbraw/zinc/10/87/82/135108782.db2.gz FDNUNNOHEYZPGS-SECBINFHSA-N 1 0 204.277 0.827 20 30 BCEDRO CN(C)c1cccc(CNC(=[NH2+])NC2CC2)n1 ZINC000261714148 135111473 /nfs/dbraw/zinc/11/14/73/135111473.db2.gz VTHNTAVKVIXQFA-UHFFFAOYSA-N 1 0 233.319 0.714 20 30 BCEDRO CNC(NCc1cn2ccccc2n1)=[NH+]C ZINC000261876247 135111963 /nfs/dbraw/zinc/11/19/63/135111963.db2.gz PYLYTAJILRQATP-UHFFFAOYSA-N 1 0 217.276 0.629 20 30 BCEDRO CCc1cccc(NC(=O)CNC(N)=[NH2+])c1 ZINC000261901733 135113025 /nfs/dbraw/zinc/11/30/25/135113025.db2.gz WEBDYMIPKWSKQZ-UHFFFAOYSA-N 1 0 220.276 0.461 20 30 BCEDRO Cc1cc(C[NH+]=C(N(C)C)N(C)C)n(C)n1 ZINC000261901734 135113375 /nfs/dbraw/zinc/11/33/75/135113375.db2.gz WEFAFBXBWWQZMP-UHFFFAOYSA-N 1 0 223.324 0.708 20 30 BCEDRO Cc1nccn1CC[NH+]=C(N(C)C)N(C)C ZINC000261976859 135113438 /nfs/dbraw/zinc/11/34/38/135113438.db2.gz GGTNPLHVPRTGHD-UHFFFAOYSA-N 1 0 223.324 0.671 20 30 BCEDRO CNC(=[NH2+])N1CC[C@@H](Oc2ccccn2)C1 ZINC000261991784 135113494 /nfs/dbraw/zinc/11/34/94/135113494.db2.gz RLKFCCPDENOEAR-SECBINFHSA-N 1 0 220.276 0.479 20 30 BCEDRO CN/C(=[NH+]/C)N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000262000370 135113977 /nfs/dbraw/zinc/11/39/77/135113977.db2.gz UFTUZDMYJRULLV-GHMZBOCLSA-N 1 0 235.335 0.971 20 30 BCEDRO CNC(NCc1cn2c(n1)CCCC2)=[NH+]C ZINC000262074361 135114385 /nfs/dbraw/zinc/11/43/85/135114385.db2.gz CWMBBMVIZBFPQC-UHFFFAOYSA-N 1 0 221.308 0.514 20 30 BCEDRO C=CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000262196007 135117001 /nfs/dbraw/zinc/11/70/01/135117001.db2.gz JZKNJGNZEFDNNB-ZJUUUORDSA-N 1 0 211.309 0.989 20 30 BCEDRO C[NH+]=C(NCc1nnc2n1CCCC2)NC1CC1 ZINC000262190414 135117190 /nfs/dbraw/zinc/11/71/90/135117190.db2.gz YKHZBMJMPCQVEP-UHFFFAOYSA-N 1 0 248.334 0.442 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(C(=O)OC)o1 ZINC000262197942 135117255 /nfs/dbraw/zinc/11/72/55/135117255.db2.gz HVCUCTZZQFJRNM-UHFFFAOYSA-N 1 0 211.221 0.100 20 30 BCEDRO CN(C)C(=[NH+]CCc1cn[nH]c1)N(C)C ZINC000262383882 135117764 /nfs/dbraw/zinc/11/77/64/135117764.db2.gz PDOCQUFBZANSBN-UHFFFAOYSA-N 1 0 209.297 0.431 20 30 BCEDRO C[NH+]=C(NCc1ccn(C)c1)NC1CC1 ZINC000262469995 135119040 /nfs/dbraw/zinc/11/90/40/135119040.db2.gz OOFMSSVFJFHLFV-UHFFFAOYSA-N 1 0 206.293 0.853 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@]1(N(C)C)CCSC1 ZINC000262488125 135119046 /nfs/dbraw/zinc/11/90/46/135119046.db2.gz TYEXVBQCPVEDLT-NSHDSACASA-N 1 0 242.392 0.514 20 30 BCEDRO CCCNC(=[NH2+])NC[C@@](C)(O)c1ccco1 ZINC000262475546 135119150 /nfs/dbraw/zinc/11/91/50/135119150.db2.gz ZQRAICGKIGDISQ-LLVKDONJSA-N 1 0 225.292 0.801 20 30 BCEDRO C=CCNC(=[NH+]C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262422292 135119161 /nfs/dbraw/zinc/11/91/61/135119161.db2.gz BNBBVJINPJFUQS-LLVKDONJSA-N 1 0 247.346 0.971 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCC[C@@H]1O)Nc1ccccn1 ZINC000262551977 135119528 /nfs/dbraw/zinc/11/95/28/135119528.db2.gz YVFDDJVDADMCSL-ZJUUUORDSA-N 1 0 234.303 0.969 20 30 BCEDRO CCc1nc(CC[NH+]=C(N(C)C)N(C)C)no1 ZINC000262527595 135119534 /nfs/dbraw/zinc/11/95/34/135119534.db2.gz LXDWVQRERKEUFX-UHFFFAOYSA-N 1 0 239.323 0.654 20 30 BCEDRO Cc1cccc([C@H](O)CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262630308 135119570 /nfs/dbraw/zinc/11/95/70/135119570.db2.gz FPHFYBXARCWGJO-CMPLNLGQSA-N 1 0 233.315 0.966 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCn2cnc3ccccc32)N1 ZINC000262630221 135119741 /nfs/dbraw/zinc/11/97/41/135119741.db2.gz FMNBDCVSYGMYIC-SNVBAGLBSA-N 1 0 243.314 0.974 20 30 BCEDRO COc1ccccc1[C@@H](O)CNC1=[NH+]C[C@@H](C)N1 ZINC000262669675 135120179 /nfs/dbraw/zinc/12/01/79/135120179.db2.gz QKOKBHCSJKUHJK-KOLCDFICSA-N 1 0 249.314 0.666 20 30 BCEDRO COc1ccc(CNC2=[NH+]C[C@H](C)N2)cc1O ZINC000262646780 135120468 /nfs/dbraw/zinc/12/04/68/135120468.db2.gz JJOHMTSAQDGWAF-QMMMGPOBSA-N 1 0 235.287 0.838 20 30 BCEDRO CN1CC[NH+]=C1NC[C@](C)(O)c1ccco1 ZINC000262670952 135120685 /nfs/dbraw/zinc/12/06/85/135120685.db2.gz QWPRMOBJRBLDSW-NSHDSACASA-N 1 0 223.276 0.378 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@](C)(O)c2ccco2)N1 ZINC000262664331 135120724 /nfs/dbraw/zinc/12/07/24/135120724.db2.gz NYOPGSMAGBASCC-KCJUWKMLSA-N 1 0 223.276 0.424 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@]2(O)CCc3ccccc32)N1 ZINC000262670016 135120735 /nfs/dbraw/zinc/12/07/35/135120735.db2.gz QOFVNMBVAMDUAQ-HZMBPMFUSA-N 1 0 245.326 0.758 20 30 BCEDRO Cc1noc(C)c1CCNC1=[NH+]C[C@H](C)N1 ZINC000262678152 135121110 /nfs/dbraw/zinc/12/11/10/135121110.db2.gz UUAADNOBYRPOLN-ZETCQYMHSA-N 1 0 222.292 0.771 20 30 BCEDRO COc1ccc(CNC2=[NH+]C[C@H](C)N2)nc1 ZINC000262676730 135121262 /nfs/dbraw/zinc/12/12/62/135121262.db2.gz UHNXAEWUIVVAEN-QMMMGPOBSA-N 1 0 220.276 0.528 20 30 BCEDRO CC[C@@H](C)NC(NCc1nccn1C)=[NH+]C ZINC000263280331 135125806 /nfs/dbraw/zinc/12/58/06/135125806.db2.gz ZZZRUPNRZGWRPR-SECBINFHSA-N 1 0 223.324 0.884 20 30 BCEDRO CCNC(=[NH2+])NCCNC(=O)c1ccccc1 ZINC000264056733 135130125 /nfs/dbraw/zinc/13/01/25/135130125.db2.gz BFPCXKUYMKGOOC-UHFFFAOYSA-N 1 0 234.303 0.341 20 30 BCEDRO C[NH+]=C(NCc1ccnc(OC)c1)NC1CC1 ZINC000264023456 135130413 /nfs/dbraw/zinc/13/04/13/135130413.db2.gz AFRRGIYNIUUTJR-UHFFFAOYSA-N 1 0 234.303 0.918 20 30 BCEDRO CNC(NCCc1ccc(NC(C)=O)cc1)=[NH+]C ZINC000264068391 135131024 /nfs/dbraw/zinc/13/10/24/135131024.db2.gz CGHJQVUOOCFFCY-UHFFFAOYSA-N 1 0 248.330 0.982 20 30 BCEDRO CNC(NC[C@@H](O)c1ccccc1OC)=[NH+]C ZINC000264071824 135131045 /nfs/dbraw/zinc/13/10/45/135131045.db2.gz DLUNMBMOEGTBMH-SNVBAGLBSA-N 1 0 237.303 0.523 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H](O)c1ccccc1 ZINC000264069180 135131091 /nfs/dbraw/zinc/13/10/91/135131091.db2.gz FVQWFPVWAYKRRY-NSHDSACASA-N 1 0 237.303 0.271 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCCn1cccn1 ZINC000264062211 135131315 /nfs/dbraw/zinc/13/13/15/135131315.db2.gz DBBWBBBEXWRQOX-JTQLQIEISA-N 1 0 239.323 0.212 20 30 BCEDRO CNC(NCCCn1ccnc1C)=[NH+]C ZINC000264063793 135131344 /nfs/dbraw/zinc/13/13/44/135131344.db2.gz AIMCZGXEVOIQAP-UHFFFAOYSA-N 1 0 209.297 0.376 20 30 BCEDRO CNC(=[NH2+])NCCNC(=O)c1cccc(C)c1 ZINC000264093673 135132515 /nfs/dbraw/zinc/13/25/15/135132515.db2.gz LXAZUGKDXWGIEH-UHFFFAOYSA-N 1 0 234.303 0.259 20 30 BCEDRO C=CCNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000264100347 135133251 /nfs/dbraw/zinc/13/32/51/135133251.db2.gz MSBMNQRXSVEMAZ-UHFFFAOYSA-N 1 0 242.323 0.601 20 30 BCEDRO N#Cc1cccc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000264103140 135133310 /nfs/dbraw/zinc/13/33/10/135133310.db2.gz OOVFSSPJXIBPRT-UHFFFAOYSA-N 1 0 244.298 0.705 20 30 BCEDRO CN(C)C(=[NH2+])NCCc1ccc(O)cc1 ZINC000264109244 135133896 /nfs/dbraw/zinc/13/38/96/135133896.db2.gz ONUJITPZEIWBLJ-UHFFFAOYSA-N 1 0 207.277 0.811 20 30 BCEDRO CNC(=O)c1cccc(CNC(NC)=[NH+]C)c1 ZINC000264113730 135133902 /nfs/dbraw/zinc/13/39/02/135133902.db2.gz RXHYDQWRXLYQGK-UHFFFAOYSA-N 1 0 234.303 0.341 20 30 BCEDRO Cc1nccn1CCCNC(=[NH2+])NC1CC1 ZINC000264121747 135134508 /nfs/dbraw/zinc/13/45/08/135134508.db2.gz VGRSMBOHQIEITP-UHFFFAOYSA-N 1 0 221.308 0.648 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)c1ccccc1F ZINC000264121671 135134513 /nfs/dbraw/zinc/13/45/13/135134513.db2.gz VFAJVORNQOCXQN-SECBINFHSA-N 1 0 211.240 0.393 20 30 BCEDRO COCCNC(=[NH2+])NCCc1cccc(F)c1 ZINC000264140121 135134868 /nfs/dbraw/zinc/13/48/68/135134868.db2.gz WFSUQQMJEAULSB-UHFFFAOYSA-N 1 0 239.294 0.919 20 30 BCEDRO COc1ccc(NC(=[NH2+])NCCO)cc1 ZINC000264131848 135134872 /nfs/dbraw/zinc/13/48/72/135134872.db2.gz UBUFGUYGMDYBDM-UHFFFAOYSA-N 1 0 209.249 0.414 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(N2CCOCC2)cc1 ZINC000264130785 135134973 /nfs/dbraw/zinc/13/49/73/135134973.db2.gz YASOOGKPSMUFQE-UHFFFAOYSA-N 1 0 248.330 0.557 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCCn1ccnc1 ZINC000264153304 135135634 /nfs/dbraw/zinc/13/56/34/135135634.db2.gz ZUBISRLOKOFTQR-JTQLQIEISA-N 1 0 223.324 0.976 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)Cc1ccccc1 ZINC000264155845 135135746 /nfs/dbraw/zinc/13/57/46/135135746.db2.gz AKLIREPMTBIKPC-SNVBAGLBSA-N 1 0 207.277 0.124 20 30 BCEDRO C[NH+]=C(NC[C@H](O)Cc1ccccc1)NC1CC1 ZINC000264168707 135136667 /nfs/dbraw/zinc/13/66/67/135136667.db2.gz XVNNFPDBGOJNMI-CYBMUJFWSA-N 1 0 247.342 0.917 20 30 BCEDRO CNC(=[NH2+])NC[C@](C)(O)c1ccccc1 ZINC000265101519 135142195 /nfs/dbraw/zinc/14/21/95/135142195.db2.gz AXUJAQWWKYQSPE-NSHDSACASA-N 1 0 207.277 0.428 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)/C=C/C[NH+](C)C ZINC000265652669 135145709 /nfs/dbraw/zinc/14/57/09/135145709.db2.gz OSVXYKFUUFVDLZ-PORFMDCZSA-N 1 0 209.293 0.722 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)/C=C/C[NH+](C)C ZINC000265652668 135145765 /nfs/dbraw/zinc/14/57/65/135145765.db2.gz OSVXYKFUUFVDLZ-BRAIEQGRSA-N 1 0 209.293 0.722 20 30 BCEDRO C[NH+]=C(NCCc1ccncc1)NC1CC1 ZINC000266092522 135147293 /nfs/dbraw/zinc/14/72/93/135147293.db2.gz FEBZVTYKXXPJTE-UHFFFAOYSA-N 1 0 218.304 0.952 20 30 BCEDRO C[NH+]=C(NC[C@@](C)(O)c1ccco1)NC1CC1 ZINC000266118877 135147761 /nfs/dbraw/zinc/14/77/61/135147761.db2.gz LYNHDFLFWFNYFG-GFCCVEGCSA-N 1 0 237.303 0.815 20 30 BCEDRO CC[N@@H+](CCC#N)CCCC(=O)NC(N)=O ZINC000267089590 135151652 /nfs/dbraw/zinc/15/16/52/135151652.db2.gz PKFXPIVNYZPXOI-UHFFFAOYSA-N 1 0 226.280 0.197 20 30 BCEDRO NC(=[NH2+])NCCCC(=O)N1Cc2ccccc2C1 ZINC000267385123 135153195 /nfs/dbraw/zinc/15/31/95/135153195.db2.gz BJSOALSTYGULAF-UHFFFAOYSA-N 1 0 246.314 0.582 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](C)Oc1ccc(OC)cc1 ZINC000267407250 135154052 /nfs/dbraw/zinc/15/40/52/135154052.db2.gz HFKHLSFJZSZRLV-SECBINFHSA-N 1 0 237.303 0.997 20 30 BCEDRO CNC(=[NH2+])NC[C@H](C)Oc1ccccc1 ZINC000267430531 135154109 /nfs/dbraw/zinc/15/41/09/135154109.db2.gz MOGPZRVOZKPCGY-VIFPVBQESA-N 1 0 207.277 0.988 20 30 BCEDRO CCc1nc(CCNC(=[NH2+])N(CC)CC)no1 ZINC000267433003 135154235 /nfs/dbraw/zinc/15/42/35/135154235.db2.gz NARQCTDLLMOXGK-UHFFFAOYSA-N 1 0 239.323 0.831 20 30 BCEDRO NC(=[NH2+])NCc1nc(C(F)(F)F)cs1 ZINC000267409356 135154398 /nfs/dbraw/zinc/15/43/98/135154398.db2.gz HVDAYURSEUDWKO-UHFFFAOYSA-N 1 0 224.211 0.935 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](CCC)CCO ZINC000267406114 135154465 /nfs/dbraw/zinc/15/44/65/135154465.db2.gz HABSKVRRDOBQIV-JTQLQIEISA-N 1 0 213.325 0.875 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@](C)(O)c1ccco1 ZINC000267448643 135154718 /nfs/dbraw/zinc/15/47/18/135154718.db2.gz QTJCTUXDEAJTSH-JTQLQIEISA-N 1 0 211.265 0.363 20 30 BCEDRO NC(=[NH2+])NCc1ccc(N2CC=CC2)cc1 ZINC000267443732 135154779 /nfs/dbraw/zinc/15/47/79/135154779.db2.gz PTXLTSPQNZMSMZ-UHFFFAOYSA-N 1 0 216.288 0.836 20 30 BCEDRO C=CCNC(=[NH2+])NCCCNC(=O)C1CCC1 ZINC000267595455 135155883 /nfs/dbraw/zinc/15/58/83/135155883.db2.gz DRDATESSCBLZES-UHFFFAOYSA-N 1 0 238.335 0.383 20 30 BCEDRO C[C@H]1C[NH+]=C(NCC2(CO)CCCC2)N1 ZINC000261530596 135158474 /nfs/dbraw/zinc/15/84/74/135158474.db2.gz CTPFHEKWSOFFDG-VIFPVBQESA-N 1 0 211.309 0.476 20 30 BCEDRO CNC(NC[C@]1(O)CCc2ccccc21)=[NH+]C ZINC000269701500 135166960 /nfs/dbraw/zinc/16/69/60/135166960.db2.gz MPBQLLWLOXAMDL-CYBMUJFWSA-N 1 0 233.315 0.615 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCOCC(F)(F)F)N1 ZINC000261535881 135170236 /nfs/dbraw/zinc/17/02/36/135170236.db2.gz PNPGWMXVLPHQCX-ZCFIWIBFSA-N 1 0 225.214 0.503 20 30 BCEDRO C=CCCS(=O)(=O)NCC1([NH3+])CCC1 ZINC000261536365 135171236 /nfs/dbraw/zinc/17/12/36/135171236.db2.gz RKFDZJQMGQZVIT-UHFFFAOYSA-N 1 0 218.322 0.363 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC2(O)CCCCC2)N1 ZINC000261536283 135171542 /nfs/dbraw/zinc/17/15/42/135171542.db2.gz RBPCULXFIFRSPU-SECBINFHSA-N 1 0 211.309 0.619 20 30 BCEDRO CCN(CCNC1=[NH+]C[C@H](C)N1)C1CC1 ZINC000261537634 135175132 /nfs/dbraw/zinc/17/51/32/135175132.db2.gz VWRMSKWYKSOKRH-VIFPVBQESA-N 1 0 210.325 0.408 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)N[C@@]1(C#N)CC1(C)C ZINC000292495041 135176522 /nfs/dbraw/zinc/17/65/22/135176522.db2.gz OPGUOFAXSSIQTF-BTDICHCPSA-N 1 0 221.304 0.913 20 30 BCEDRO Cc1c(CNC2=[NH+]C[C@H](C)N2)cnn1C ZINC000261538799 135177294 /nfs/dbraw/zinc/17/72/94/135177294.db2.gz ZJDZNTLIPOTQJM-ZETCQYMHSA-N 1 0 207.281 0.166 20 30 BCEDRO C=CCOCC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000261543189 135184024 /nfs/dbraw/zinc/18/40/24/135184024.db2.gz HPKXMAPKLQVFSS-SNVBAGLBSA-N 1 0 212.293 0.305 20 30 BCEDRO C=CCCS(=O)(=O)NCC[C@H]1CCC[NH2+]1 ZINC000261548355 135186647 /nfs/dbraw/zinc/18/66/47/135186647.db2.gz NNVNBOJFTZTVDF-SNVBAGLBSA-N 1 0 232.349 0.624 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000261553487 135193074 /nfs/dbraw/zinc/19/30/74/135193074.db2.gz SOCZUPPOXWWLRS-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCC[C@@H]1O)NC1CCCC1 ZINC000084239265 135194384 /nfs/dbraw/zinc/19/43/84/135194384.db2.gz HTRCHGXFWCSWQE-KOLCDFICSA-N 1 0 225.336 0.994 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000261561157 135202221 /nfs/dbraw/zinc/20/22/21/135202221.db2.gz AKCOACADWNFDHT-ZYHUDNBSSA-N 1 0 226.320 0.693 20 30 BCEDRO C[C@H](C#N)CN(C)[C@@H](C)C(=O)NC1CC1 ZINC000042324540 135221380 /nfs/dbraw/zinc/22/13/80/135221380.db2.gz ZTEJLIQQVGCAEK-BDAKNGLRSA-N 1 0 209.293 0.745 20 30 BCEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000121359333 135222159 /nfs/dbraw/zinc/22/21/59/135222159.db2.gz ODBSKJQXUFAIRW-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO COc1ccc(CNC2=[NH+]CCN2C)cn1 ZINC000261582302 135223250 /nfs/dbraw/zinc/22/32/50/135223250.db2.gz ODAZDSXQRDBGOR-UHFFFAOYSA-N 1 0 220.276 0.481 20 30 BCEDRO C=CC[N@@H+](C)CCc1cn(CC(=O)OC)nn1 ZINC000121602812 135225226 /nfs/dbraw/zinc/22/52/26/135225226.db2.gz SIUSXHFMSAVVDD-UHFFFAOYSA-N 1 0 238.291 0.111 20 30 BCEDRO C[C@H](O)C[NH+]1CCC(CN(C)CC#N)CC1 ZINC000303248569 135228242 /nfs/dbraw/zinc/22/82/42/135228242.db2.gz DZRXMHADHMTAGE-NSHDSACASA-N 1 0 225.336 0.535 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2ccc(O)cc2)N1 ZINC000261588542 135229393 /nfs/dbraw/zinc/22/93/93/135229393.db2.gz SKOJDQDONCKJHD-VIFPVBQESA-N 1 0 219.288 0.872 20 30 BCEDRO N#Cc1cc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000261545905 135237869 /nfs/dbraw/zinc/23/78/69/135237869.db2.gz GJLRUIXHYCSHML-MNOVXSKESA-N 1 0 228.299 0.999 20 30 BCEDRO C=CCOc1cccnc1C(=O)NCC[NH+](C)C ZINC000341422031 135238319 /nfs/dbraw/zinc/23/83/19/135238319.db2.gz QHDLLPQJZBRVBU-UHFFFAOYSA-N 1 0 249.314 0.938 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000341796651 135242412 /nfs/dbraw/zinc/24/24/12/135242412.db2.gz INMPPKVFNYQXHR-AAEUAGOBSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000341796654 135242452 /nfs/dbraw/zinc/24/24/52/135242452.db2.gz INMPPKVFNYQXHR-YPMHNXCESA-N 1 0 240.347 0.866 20 30 BCEDRO CNC(=[NH2+])N1CCN([C@@H](C)C(F)(F)F)CC1 ZINC000261654364 135242861 /nfs/dbraw/zinc/24/28/61/135242861.db2.gz AQEZFRYCVWQDOW-ZETCQYMHSA-N 1 0 238.257 0.499 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(O)CCCC1 ZINC000261711147 135247276 /nfs/dbraw/zinc/24/72/76/135247276.db2.gz DQLCSMJBAPUBDN-JTQLQIEISA-N 1 0 241.335 0.375 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCCC2(O)CCC2)CCO1 ZINC000261713021 135247404 /nfs/dbraw/zinc/24/74/04/135247404.db2.gz DYFYTPBOYQGQOZ-JTQLQIEISA-N 1 0 241.335 0.327 20 30 BCEDRO Cn1cc(CNC(=[NH2+])NC[C@@H]2CCCO2)cn1 ZINC000261738556 135249289 /nfs/dbraw/zinc/24/92/89/135249289.db2.gz IFMDKSOKYBUNOW-JTQLQIEISA-N 1 0 237.307 0.003 20 30 BCEDRO CC[S@](=O)[C@@H]1CCC[C@@H](NC(=[NH2+])NC)C1 ZINC000261842498 135256991 /nfs/dbraw/zinc/25/69/91/135256991.db2.gz WLLMKWJOAIRXKC-XWRVAKJBSA-N 1 0 231.365 0.600 20 30 BCEDRO CN1CC[NH+]=C1NCC1([S@](C)=O)CCC1 ZINC000261858291 135258152 /nfs/dbraw/zinc/25/81/52/135258152.db2.gz AENFSPOXQYHTIA-HNNXBMFYSA-N 1 0 229.349 0.179 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261894900 135261134 /nfs/dbraw/zinc/26/11/34/135261134.db2.gz AQKBIWJQQJXWBH-ZJUUUORDSA-N 1 0 211.309 0.941 20 30 BCEDRO N#Cc1ccc(CNC2=[NH+]CCCN2)cc1 ZINC000261899251 135261211 /nfs/dbraw/zinc/26/12/11/135261211.db2.gz VNXZZLOCOBLSEE-UHFFFAOYSA-N 1 0 214.272 0.997 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCOC1 ZINC000261914206 135262634 /nfs/dbraw/zinc/26/26/34/135262634.db2.gz ZAABVUUGRBRXMZ-VHSXEESVSA-N 1 0 227.308 0.106 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCCn2cccn2)C1 ZINC000261986080 135269674 /nfs/dbraw/zinc/26/96/74/135269674.db2.gz JWUWTQLPQGDRCA-NSHDSACASA-N 1 0 235.335 0.930 20 30 BCEDRO CC(C)(CNC(=[NH2+])NCC1CCC1)C(N)=O ZINC000262007757 135272249 /nfs/dbraw/zinc/27/22/49/135272249.db2.gz SDQJACOMVDRJMY-UHFFFAOYSA-N 1 0 226.324 0.202 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CCCO1)N1CCCC1 ZINC000262068780 135277040 /nfs/dbraw/zinc/27/70/40/135277040.db2.gz BUQDMMSHEGSDAN-JTQLQIEISA-N 1 0 211.309 0.837 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NCc1nc(C)no1 ZINC000262161885 135283202 /nfs/dbraw/zinc/28/32/02/135283202.db2.gz SXAZRIMLKHZXMU-UHFFFAOYSA-N 1 0 249.274 0.836 20 30 BCEDRO C=CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000262224178 135285971 /nfs/dbraw/zinc/28/59/71/135285971.db2.gz NAKYFDDUHMYTKJ-SNVBAGLBSA-N 1 0 211.309 0.989 20 30 BCEDRO C=CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000262236921 135286300 /nfs/dbraw/zinc/28/63/00/135286300.db2.gz OQNHSNHAQUMEBJ-UHFFFAOYSA-N 1 0 211.309 0.861 20 30 BCEDRO [NH2+]=C(NCc1nccc(C(F)F)n1)NC1CC1 ZINC000262251791 135287920 /nfs/dbraw/zinc/28/79/20/135287920.db2.gz CUPXBWDQGLIDRZ-UHFFFAOYSA-N 1 0 241.245 0.981 20 30 BCEDRO C[C@H](CC#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000342561577 135289521 /nfs/dbraw/zinc/28/95/21/135289521.db2.gz VWTUWIFKQFDMEK-AEJSXWLSSA-N 1 0 209.293 0.602 20 30 BCEDRO Cc1nc(CNC(=[NH2+])N(C)C2CC2)no1 ZINC000262211345 135290817 /nfs/dbraw/zinc/29/08/17/135290817.db2.gz JAXNMMGQCJQDCF-UHFFFAOYSA-N 1 0 209.253 0.287 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000262286407 135290836 /nfs/dbraw/zinc/29/08/36/135290836.db2.gz MKELOXOSNAOAFO-NSHDSACASA-N 1 0 226.368 0.950 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCC2=CCCOC2)CCO1 ZINC000262301232 135291152 /nfs/dbraw/zinc/29/11/52/135291152.db2.gz KORKDEBWRBPSLR-SNVBAGLBSA-N 1 0 239.319 0.369 20 30 BCEDRO C[NH+]=C(NCC1(O)CCC1)N1CCCC1 ZINC000262291568 135291288 /nfs/dbraw/zinc/29/12/88/135291288.db2.gz HNGZXFSSTMYGSO-UHFFFAOYSA-N 1 0 211.309 0.573 20 30 BCEDRO CNC(NCc1nccc(C(F)F)n1)=[NH+]C ZINC000262319205 135293329 /nfs/dbraw/zinc/29/33/29/135293329.db2.gz QLUCLVUDGQWBEA-UHFFFAOYSA-N 1 0 229.234 0.709 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCc2cnnn2C)C1 ZINC000262342171 135293660 /nfs/dbraw/zinc/29/36/60/135293660.db2.gz YVZWFVZDKKMGGT-VIFPVBQESA-N 1 0 236.323 0.362 20 30 BCEDRO C[NH+]=C(NCC1CC1)NC[C@]1(O)CCSC1 ZINC000262409224 135295591 /nfs/dbraw/zinc/29/55/91/135295591.db2.gz OZRACDDGYFXITC-LLVKDONJSA-N 1 0 243.376 0.429 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCC1(C)OCCO1 ZINC000262408679 135295628 /nfs/dbraw/zinc/29/56/28/135295628.db2.gz XCQUPXPETWYYLS-UHFFFAOYSA-N 1 0 227.308 0.620 20 30 BCEDRO Cn1ccc(CNC(=[NH2+])N2CCSCC2)c1 ZINC000262426287 135295833 /nfs/dbraw/zinc/29/58/33/135295833.db2.gz CSZGGTFXVJJKTF-UHFFFAOYSA-N 1 0 238.360 0.889 20 30 BCEDRO C[NH+]=C(NCc1ncccc1O)NC1CC1 ZINC000262433566 135296708 /nfs/dbraw/zinc/29/67/08/135296708.db2.gz WTTYPISEWQPMBP-UHFFFAOYSA-N 1 0 220.276 0.615 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@]1(C)CCCC[C@H]1O ZINC000262431039 135296740 /nfs/dbraw/zinc/29/67/40/135296740.db2.gz FAAAVOFFBTUKJF-ZYHUDNBSSA-N 1 0 243.351 0.478 20 30 BCEDRO Cn1cncc1CNC(=[NH2+])NC1CCCC1 ZINC000262360803 135296957 /nfs/dbraw/zinc/29/69/57/135296957.db2.gz ISCBNYAEUKZQAT-UHFFFAOYSA-N 1 0 221.308 0.767 20 30 BCEDRO CC1(C)[C@H](O)C[C@@H]1NC(=[NH2+])NC[C@H]1CCCO1 ZINC000262431624 135297102 /nfs/dbraw/zinc/29/71/02/135297102.db2.gz JXNGZEJFCDSYAG-KXUCPTDWSA-N 1 0 241.335 0.229 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCC(F)F)CCO1 ZINC000262434027 135297161 /nfs/dbraw/zinc/29/71/61/135297161.db2.gz FTWQWXRUEBXPRP-ZCFIWIBFSA-N 1 0 207.224 0.287 20 30 BCEDRO [NH2+]=C(N[C@@H]1C[C@H]1C1CC1)N1CCOCC1 ZINC000262381531 135297865 /nfs/dbraw/zinc/29/78/65/135297865.db2.gz CSEXMBJNFXWVKX-VHSXEESVSA-N 1 0 209.293 0.432 20 30 BCEDRO Cn1cncc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262373337 135298056 /nfs/dbraw/zinc/29/80/56/135298056.db2.gz MISBKDHSOHSVMR-JTQLQIEISA-N 1 0 237.307 0.003 20 30 BCEDRO CNC(NCc1csc(COC)n1)=[NH+]C ZINC000262374426 135298070 /nfs/dbraw/zinc/29/80/70/135298070.db2.gz MQWUQWPEINZXAC-UHFFFAOYSA-N 1 0 228.321 0.584 20 30 BCEDRO [NH2+]=C(NCC1CCC1)N[C@H]1CCn2ccnc2C1 ZINC000262439537 135299892 /nfs/dbraw/zinc/29/98/92/135299892.db2.gz AFXOJQTZLVLSKC-NSHDSACASA-N 1 0 247.346 0.902 20 30 BCEDRO C[C@@H]1COCC[C@H]1CNC1=[NH+]CCN1C ZINC000262475937 135301490 /nfs/dbraw/zinc/30/14/90/135301490.db2.gz CCGSOZNUWWSFGK-ZJUUUORDSA-N 1 0 211.309 0.550 20 30 BCEDRO CNC(NC[C@H]1COC2(CCCC2)O1)=[NH+]C ZINC000262477852 135301504 /nfs/dbraw/zinc/30/15/04/135301504.db2.gz ZAMNNFOFPIIZLQ-VIFPVBQESA-N 1 0 227.308 0.467 20 30 BCEDRO CCn1ncnc1C[NH+]=C(N(C)C)N(C)C ZINC000262487084 135301619 /nfs/dbraw/zinc/30/16/19/135301619.db2.gz STNPYQQVJSMEET-UHFFFAOYSA-N 1 0 224.312 0.277 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCc2ccccn2)CCO1 ZINC000262477999 135301634 /nfs/dbraw/zinc/30/16/34/135301634.db2.gz QQAVELCWNIKTHI-JTQLQIEISA-N 1 0 234.303 0.617 20 30 BCEDRO CC(C)Cn1ccnc1CNC1=[NH+]CCN1C ZINC000262477808 135301750 /nfs/dbraw/zinc/30/17/50/135301750.db2.gz CLGDTJXHDPKCGV-UHFFFAOYSA-N 1 0 235.335 0.930 20 30 BCEDRO CN(C)[C@]1(CNC(=[NH2+])NC2CC2)CCSC1 ZINC000262498087 135302523 /nfs/dbraw/zinc/30/25/23/135302523.db2.gz XFZRVHNGLWHFNE-NSHDSACASA-N 1 0 242.392 0.490 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCC1([NH3+])CCC1 ZINC000342609464 135303005 /nfs/dbraw/zinc/30/30/05/135303005.db2.gz RVQIMKIDOKJYAY-SNVBAGLBSA-N 1 0 226.320 0.965 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000262512721 135303363 /nfs/dbraw/zinc/30/33/63/135303363.db2.gz BSVLMDBMGWNBQO-SECBINFHSA-N 1 0 236.319 0.088 20 30 BCEDRO [NH2+]=C(NCC1CCC1)NC[C@H]1CCC[C@@H]1O ZINC000262528125 135303805 /nfs/dbraw/zinc/30/38/05/135303805.db2.gz MDZUDFIJSPVKBD-MNOVXSKESA-N 1 0 225.336 0.852 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@]1(C)CCOC1 ZINC000262520033 135304156 /nfs/dbraw/zinc/30/41/56/135304156.db2.gz IBYZRPYSCIOEPG-GXSJLCMTSA-N 1 0 229.324 0.352 20 30 BCEDRO C=CC1CCN(C(=O)[C@@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262551652 135305383 /nfs/dbraw/zinc/30/53/83/135305383.db2.gz TYAMQRMRZFGYSA-QWRGUYRKSA-N 1 0 224.304 0.134 20 30 BCEDRO [NH2+]=C(NCC1(O)CCC1)Nc1ccccn1 ZINC000262546878 135305445 /nfs/dbraw/zinc/30/54/45/135305445.db2.gz VQCOQBBVAPEVQI-UHFFFAOYSA-N 1 0 220.276 0.723 20 30 BCEDRO CC[NH+]=C(NCC(C)C)NC[C@H]1COCCO1 ZINC000262578060 135306246 /nfs/dbraw/zinc/30/62/46/135306246.db2.gz PEUMKWMCVBEHFU-NSHDSACASA-N 1 0 243.351 0.613 20 30 BCEDRO CC[NH+]=C(NCC(C)C)NC[C@@H]1COCCO1 ZINC000262578059 135306385 /nfs/dbraw/zinc/30/63/85/135306385.db2.gz PEUMKWMCVBEHFU-LLVKDONJSA-N 1 0 243.351 0.613 20 30 BCEDRO CCn1cc(CNC2=[NH+]C[C@H](C)N2)cn1 ZINC000262644702 135310817 /nfs/dbraw/zinc/31/08/17/135310817.db2.gz IUKZMVWHCOEFKH-QMMMGPOBSA-N 1 0 207.281 0.340 20 30 BCEDRO CSC1(CNC2=[NH+]C[C@@H](C)N2)CCOCC1 ZINC000262654865 135311048 /nfs/dbraw/zinc/31/10/48/135311048.db2.gz LGWUJAYZKMHPFM-SECBINFHSA-N 1 0 243.376 0.836 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2cnc(C3CC3)nc2)N1 ZINC000262649614 135311082 /nfs/dbraw/zinc/31/10/82/135311082.db2.gz KBRKCWNPDMWLKG-VIFPVBQESA-N 1 0 245.330 0.834 20 30 BCEDRO CSC1(CNC2=[NH+]C[C@H](C)N2)CCOCC1 ZINC000262654868 135311163 /nfs/dbraw/zinc/31/11/63/135311163.db2.gz LGWUJAYZKMHPFM-VIFPVBQESA-N 1 0 243.376 0.836 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H]2CCC(C)(C)O2)N1 ZINC000262651325 135311424 /nfs/dbraw/zinc/31/14/24/135311424.db2.gz KOFIKIMNGKIOMZ-DTWKUNHWSA-N 1 0 211.309 0.881 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2nnc3n2CCCCC3)N1 ZINC000262654860 135311441 /nfs/dbraw/zinc/31/14/41/135311441.db2.gz LGRWNAYUJPFKNA-SECBINFHSA-N 1 0 248.334 0.442 20 30 BCEDRO CC(=O)Nc1ccc(CNC2=[NH+]C[C@H](C)N2)cn1 ZINC000262652103 135311498 /nfs/dbraw/zinc/31/14/98/135311498.db2.gz KQSBZJLEOMTBQE-QMMMGPOBSA-N 1 0 247.302 0.477 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCN2CCOCC2(C)C)N1 ZINC000262654939 135312164 /nfs/dbraw/zinc/31/21/64/135312164.db2.gz LIDAEURVMFGKEH-SNVBAGLBSA-N 1 0 240.351 0.035 20 30 BCEDRO C[C@@H]1C[NH+]=C(N[C@@H]2[C@H]3CCO[C@@H]3C23CCC3)N1 ZINC000262680726 135313349 /nfs/dbraw/zinc/31/33/49/135313349.db2.gz WBTHLRDNAFPTBB-DBIOUOCHSA-N 1 0 235.331 0.881 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1ncn(C)n1 ZINC000262684666 135313573 /nfs/dbraw/zinc/31/35/73/135313573.db2.gz XYNIPSHWDRGDOZ-ZETCQYMHSA-N 1 0 210.285 0.018 20 30 BCEDRO CO[C@@H](CNC1=[NH+]C[C@H](C)N1)C(C)(C)C ZINC000262687742 135313748 /nfs/dbraw/zinc/31/37/48/135313748.db2.gz ZBFBAEJHQBHCHX-IUCAKERBSA-N 1 0 213.325 0.985 20 30 BCEDRO CNC(NCC1([S@](C)=O)CCC1)=[NH+]C ZINC000262685879 135313764 /nfs/dbraw/zinc/31/37/64/135313764.db2.gz ALKJRIVMZWBESX-AWEZNQCLSA-N 1 0 217.338 0.082 20 30 BCEDRO CO[C@@H]1C[C@H](NC(=[NH2+])N2CCOCC2)C1(C)C ZINC000262692217 135314253 /nfs/dbraw/zinc/31/42/53/135314253.db2.gz CMDFHCZMCSGGNH-VHSXEESVSA-N 1 0 241.335 0.447 20 30 BCEDRO CN(C(=[NH2+])NCC1([S@@](C)=O)CCC1)C1CC1 ZINC000262696286 135314777 /nfs/dbraw/zinc/31/47/77/135314777.db2.gz DVGLSMKAPMLMGB-MRXNPFEDSA-N 1 0 243.376 0.697 20 30 BCEDRO CCn1cccc(CNC(=[NH2+])NC(C)C)c1=O ZINC000262739561 135316106 /nfs/dbraw/zinc/31/61/06/135316106.db2.gz IWWIFUACGSKEOB-UHFFFAOYSA-N 1 0 236.319 0.681 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NC[C@]1(O)CCO[C@@H]1C ZINC000262772828 135317165 /nfs/dbraw/zinc/31/71/65/135317165.db2.gz LMQDETCTUKWLSY-IQJOONFLSA-N 1 0 229.324 0.229 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000262787201 135318252 /nfs/dbraw/zinc/31/82/52/135318252.db2.gz JXQCTZSJCYSJMA-MNOVXSKESA-N 1 0 223.320 0.907 20 30 BCEDRO C[NH+]=C(NC1CCC1)N1CCC(O)CC1 ZINC000262785758 135318463 /nfs/dbraw/zinc/31/84/63/135318463.db2.gz MISMNNDXDNKOKL-UHFFFAOYSA-N 1 0 211.309 0.571 20 30 BCEDRO C=CCN(C(=O)c1[nH]nc2c1C[NH2+]CC2)C1CC1 ZINC000262806253 135319103 /nfs/dbraw/zinc/31/91/03/135319103.db2.gz SISUSPWHHSLUAW-UHFFFAOYSA-N 1 0 246.314 0.846 20 30 BCEDRO CCCNC(=[NH2+])NCC1([S@@](C)=O)CCC1 ZINC000262833399 135320879 /nfs/dbraw/zinc/32/08/79/135320879.db2.gz RXZHPUVMAXLRHM-OAHLLOKOSA-N 1 0 231.365 0.602 20 30 BCEDRO COc1ccc(CNC(=[NH2+])N(C)C2CC2)nc1 ZINC000262979038 135326028 /nfs/dbraw/zinc/32/60/28/135326028.db2.gz TWWOHSLPNUCENT-UHFFFAOYSA-N 1 0 234.303 0.999 20 30 BCEDRO CO[C@]1(CNC(=[NH2+])NC2CCC2)CCOC1 ZINC000263028776 135327096 /nfs/dbraw/zinc/32/70/96/135327096.db2.gz BAFSDMZTLKPHNJ-NSHDSACASA-N 1 0 227.308 0.249 20 30 BCEDRO C[C@@]1(CNC(=[NH2+])NC2CCCC2)CCC(=O)N1 ZINC000263038355 135328557 /nfs/dbraw/zinc/32/85/57/135328557.db2.gz BZEQEYCSKMEADV-LBPRGKRZSA-N 1 0 238.335 0.502 20 30 BCEDRO CO[C@@H](CNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000263057192 135329798 /nfs/dbraw/zinc/32/97/98/135329798.db2.gz FBEOTKIZXWYXGL-JTQLQIEISA-N 1 0 243.376 0.775 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@]1(O)CCCC1(C)C ZINC000263072288 135331258 /nfs/dbraw/zinc/33/12/58/135331258.db2.gz GWAXUMUHCGVYQS-LBPRGKRZSA-N 1 0 225.336 0.819 20 30 BCEDRO CN1CCC[NH+]=C1NCc1ncccc1O ZINC000263086990 135331645 /nfs/dbraw/zinc/33/16/45/135331645.db2.gz IMFAKUDYLWYGFC-UHFFFAOYSA-N 1 0 220.276 0.568 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCC(C)(C)CC#N)CCO1 ZINC000263096591 135332660 /nfs/dbraw/zinc/33/26/60/135332660.db2.gz JLYWHNSGGFXWQZ-SNVBAGLBSA-N 1 0 238.335 0.962 20 30 BCEDRO CCn1nc(C)c(C[NH+]=C(N(C)C)N(C)C)n1 ZINC000263098043 135332779 /nfs/dbraw/zinc/33/27/79/135332779.db2.gz VYGCRPSLKUJDCU-UHFFFAOYSA-N 1 0 238.339 0.586 20 30 BCEDRO [NH2+]=C(NCc1ncccc1O)NC1CCC1 ZINC000263095859 135333013 /nfs/dbraw/zinc/33/30/13/135333013.db2.gz JJIXMDQEZKYAEM-UHFFFAOYSA-N 1 0 220.276 0.744 20 30 BCEDRO CO[C@H]1COCC[C@@H]1CNC(=[NH2+])NC1CCC1 ZINC000263126127 135333938 /nfs/dbraw/zinc/33/39/38/135333938.db2.gz MMITWFPQEFKGBZ-KOLCDFICSA-N 1 0 241.335 0.495 20 30 BCEDRO CN1CC[NH+]=C1NCc1nnc(C(C)(C)C)[nH]1 ZINC000263139255 135334849 /nfs/dbraw/zinc/33/48/49/135334849.db2.gz OAQLXXCORIZDCF-UHFFFAOYSA-N 1 0 236.323 0.493 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])N[C@H]2C[C@@H](O)C2)C1 ZINC000263168772 135337061 /nfs/dbraw/zinc/33/70/61/135337061.db2.gz RQEXLZGBVDOKJS-LPEHRKFASA-N 1 0 211.309 0.556 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@H]1C ZINC000263167959 135337159 /nfs/dbraw/zinc/33/71/59/135337159.db2.gz ROUHTAVPYBEGIA-VLEAKVRGSA-N 1 0 243.351 0.739 20 30 BCEDRO [NH2+]=C(NC[C@@H]1C[C@H]1C1CC1)N1CCOCC1 ZINC000263166957 135337374 /nfs/dbraw/zinc/33/73/74/135337374.db2.gz RJWUHGGAQGUOLB-QWRGUYRKSA-N 1 0 223.320 0.679 20 30 BCEDRO [NH2+]=C(NCc1nnc(C2CC2)[nH]1)NCC1CCC1 ZINC000263178280 135337695 /nfs/dbraw/zinc/33/76/95/135337695.db2.gz TUDXUBBOTYGMSL-UHFFFAOYSA-N 1 0 248.334 0.887 20 30 BCEDRO Cn1ncc(CNC(=[NH2+])NC2CCCCC2)n1 ZINC000263186101 135337810 /nfs/dbraw/zinc/33/78/10/135337810.db2.gz WUUMPDZUVKLSCI-UHFFFAOYSA-N 1 0 236.323 0.552 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[C@H](C)O1 ZINC000263191158 135338413 /nfs/dbraw/zinc/33/84/13/135338413.db2.gz VSVOSIYSLVREEF-GUBZILKMSA-N 1 0 229.324 0.493 20 30 BCEDRO COc1ccc(CNC2=[NH+]CCCN2C)nc1 ZINC000263195939 135338416 /nfs/dbraw/zinc/33/84/16/135338416.db2.gz WMJBLBZIDJRUAE-UHFFFAOYSA-N 1 0 234.303 0.871 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1cc(C)ccn1 ZINC000263199598 135338883 /nfs/dbraw/zinc/33/88/83/135338883.db2.gz XAIOKUNAXSYZGU-JTQLQIEISA-N 1 0 236.319 0.829 20 30 BCEDRO C[C@H]1COCC[C@H]1CNC1=[NH+]CCCN1C ZINC000263213031 135339856 /nfs/dbraw/zinc/33/98/56/135339856.db2.gz ZKIZPFROJSOHCX-QWRGUYRKSA-N 1 0 225.336 0.940 20 30 BCEDRO CC[C@](C)(CNC(=[NH2+])N1CCO[C@@H](C)C1)OC ZINC000263215689 135340027 /nfs/dbraw/zinc/34/00/27/135340027.db2.gz ZZUDLBXRMBCNDP-CMPLNLGQSA-N 1 0 243.351 0.837 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCc1nccnc1C ZINC000263215514 135340474 /nfs/dbraw/zinc/34/04/74/135340474.db2.gz ZWMBILNLKZWUHI-UHFFFAOYSA-N 1 0 233.319 0.808 20 30 BCEDRO C[NH+]=C(NCCn1cccn1)NC1CCCC1 ZINC000263245799 135341778 /nfs/dbraw/zinc/34/17/78/135341778.db2.gz MUQAQFAKHSBBDT-UHFFFAOYSA-N 1 0 235.335 0.991 20 30 BCEDRO C[NH+]=C(NCC(=O)N(C)C)NC1CCCC1 ZINC000263261663 135343561 /nfs/dbraw/zinc/34/35/61/135343561.db2.gz STPYXZLBSWAEJE-UHFFFAOYSA-N 1 0 226.324 0.182 20 30 BCEDRO CC#CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000343013797 135344436 /nfs/dbraw/zinc/34/44/36/135344436.db2.gz FGHNPIYVILYSDO-PHIMTYICSA-N 1 0 208.305 0.999 20 30 BCEDRO [NH2+]=C(N[C@@H]1CC12CCCC2)N1CCOCC1 ZINC000263300522 135344965 /nfs/dbraw/zinc/34/49/65/135344965.db2.gz ZEQIDOHLRWVYNW-SNVBAGLBSA-N 1 0 223.320 0.966 20 30 BCEDRO CCCNC(=[NH2+])NCCN1CC=CCC1 ZINC000279917912 135368692 /nfs/dbraw/zinc/36/86/92/135368692.db2.gz DZKYLIRNWUGEMS-UHFFFAOYSA-N 1 0 210.325 0.563 20 30 BCEDRO CC#CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000334367680 135374804 /nfs/dbraw/zinc/37/48/04/135374804.db2.gz RJLZCODQLNMFPT-HUUCEWRRSA-N 1 0 249.402 0.968 20 30 BCEDRO C=CCNC(=O)C[NH2+]CC1(SC)CC1 ZINC000290318123 135374968 /nfs/dbraw/zinc/37/49/68/135374968.db2.gz JHVQNDDXPFLQSL-UHFFFAOYSA-N 1 0 214.334 0.774 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ncccc1[O-] ZINC000293899310 135377819 /nfs/dbraw/zinc/37/78/19/135377819.db2.gz FCTOGWDVSMBQCY-UHFFFAOYSA-N 1 0 247.298 0.472 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@H](O)C1 ZINC000074990322 135390556 /nfs/dbraw/zinc/39/05/56/135390556.db2.gz BTSLDONHTCTTFF-VIFPVBQESA-N 1 0 200.307 0.700 20 30 BCEDRO C[NH+]1CCC(O)(CNC(=O)[C@H]2CCCO2)CC1 ZINC000328780799 135392259 /nfs/dbraw/zinc/39/22/59/135392259.db2.gz MOQOIVNNLKQWIU-SNVBAGLBSA-N 1 0 242.319 0.579 20 30 BCEDRO C[NH+]1CCC(O)(CNC(=O)[C@@H]2CCCO2)CC1 ZINC000328953805 135392378 /nfs/dbraw/zinc/39/23/78/135392378.db2.gz MOQOIVNNLKQWIU-JTQLQIEISA-N 1 0 242.319 0.579 20 30 BCEDRO CN(C)C(=O)C[NH+]1CCC(CC#N)CC1 ZINC000334204203 135398904 /nfs/dbraw/zinc/39/89/04/135398904.db2.gz RYTJCDUXMKRZGW-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO C[C@@H](NC(=O)N(C)CC[NH+](C)C)c1cn[nH]c1 ZINC000330461577 135474794 /nfs/dbraw/zinc/47/47/94/135474794.db2.gz AEIHRHSYRSTBNG-SECBINFHSA-N 1 0 239.323 0.878 20 30 BCEDRO C[N@H+](CCCCC#N)[C@]1(CO)CCOC1 ZINC000330804722 135488212 /nfs/dbraw/zinc/48/82/12/135488212.db2.gz LEZORYWUDRPTIJ-NSHDSACASA-N 1 0 212.293 0.763 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)NC[C@@H](C)O)CC1 ZINC000192444120 135573568 /nfs/dbraw/zinc/57/35/68/135573568.db2.gz QHSTZDFYNBZNAA-SNVBAGLBSA-N 1 0 241.335 0.317 20 30 BCEDRO C=CCNC(=O)CN1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000063195885 135593295 /nfs/dbraw/zinc/59/32/95/135593295.db2.gz XLGGKKBFDSIDDV-GHMZBOCLSA-N 1 0 225.336 0.490 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCCCC#N ZINC000193646047 135597998 /nfs/dbraw/zinc/59/79/98/135597998.db2.gz PQOSKFLHVBXTDX-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000184283009 135622664 /nfs/dbraw/zinc/62/26/64/135622664.db2.gz VDXCYDLMNLXSMI-LBPRGKRZSA-N 1 0 234.299 0.812 20 30 BCEDRO C=C[C@H](CO)NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000291570880 135647842 /nfs/dbraw/zinc/64/78/42/135647842.db2.gz OJKGMYYIEIGJOI-GHMZBOCLSA-N 1 0 243.351 0.563 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000295356588 135684651 /nfs/dbraw/zinc/68/46/51/135684651.db2.gz YWAVZAHGAANKLO-UWVGGRQHSA-N 1 0 224.304 0.281 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC[NH2+]CC2)C1=O ZINC000334588079 135759923 /nfs/dbraw/zinc/75/99/23/135759923.db2.gz RDZLOZZRMIQBCM-LLVKDONJSA-N 1 0 223.320 0.069 20 30 BCEDRO C=CCOCC(=O)N(CC[NH+](C)C)C(C)C ZINC000344774337 135795058 /nfs/dbraw/zinc/79/50/58/135795058.db2.gz KFOYHLLKVIQRGW-UHFFFAOYSA-N 1 0 228.336 0.988 20 30 BCEDRO Cc1c(C#N)cccc1NC(=O)NC1C[NH2+]C1 ZINC000335248679 135982961 /nfs/dbraw/zinc/98/29/61/135982961.db2.gz JEIKKBOSULFBCI-UHFFFAOYSA-N 1 0 230.271 0.960 20 30 BCEDRO C=CCOCC(=O)N1C[C@H]2C[NH+](C)C[C@@H]2C1 ZINC000347655811 136002166 /nfs/dbraw/zinc/00/21/66/136002166.db2.gz NFGARXPEAZMIEI-GHMZBOCLSA-N 1 0 224.304 0.209 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC000347655818 136002207 /nfs/dbraw/zinc/00/22/07/136002207.db2.gz NFGARXPEAZMIEI-QWRGUYRKSA-N 1 0 224.304 0.209 20 30 BCEDRO C=C(C)CNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000335295324 136005910 /nfs/dbraw/zinc/00/59/10/136005910.db2.gz IIYJCPSIGVXGLD-VHSXEESVSA-N 1 0 211.309 0.860 20 30 BCEDRO C=C(C)CNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335296456 136006455 /nfs/dbraw/zinc/00/64/55/136006455.db2.gz LBGXTUDEZMBSSJ-MRVPVSSYSA-N 1 0 233.262 0.859 20 30 BCEDRO CN(CCN1CCOCC1)CC(C)(C)C#N ZINC000347745178 136010520 /nfs/dbraw/zinc/01/05/20/136010520.db2.gz BGJVDPLELSFBSS-UHFFFAOYSA-N 1 0 225.336 0.800 20 30 BCEDRO C=CCOCCC[N@H+]1CCC[C@H]1C(N)=O ZINC000347963307 136017806 /nfs/dbraw/zinc/01/78/06/136017806.db2.gz JKMSYKVQXMJWQB-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C=CCOCCCN1CCO[C@@H](CO)C1 ZINC000348060906 136024217 /nfs/dbraw/zinc/02/42/17/136024217.db2.gz SGDIYCXMBMAQLQ-LLVKDONJSA-N 1 0 215.293 0.272 20 30 BCEDRO C=CCOCCCN1C[C@H](O)C[C@H]1C(=O)OC ZINC000348047881 136029980 /nfs/dbraw/zinc/02/99/80/136029980.db2.gz LTJULVZENWZCIW-MNOVXSKESA-N 1 0 243.303 0.187 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000348192810 136049508 /nfs/dbraw/zinc/04/95/08/136049508.db2.gz JGCSWIQQCLJHRV-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCNC(=O)CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000348549316 136096225 /nfs/dbraw/zinc/09/62/25/136096225.db2.gz CBFZSUPRGXQSKA-GFCCVEGCSA-N 1 0 239.363 0.561 20 30 BCEDRO C=CCN(C(=O)[C@@H](C)[NH+](C)C)[C@H](C)COC ZINC000636159631 397748698 /nfs/dbraw/zinc/74/86/98/397748698.db2.gz FARWUIDDMMRUTO-GHMZBOCLSA-N 1 0 228.336 0.986 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cc1ccon1 ZINC000491708138 397860167 /nfs/dbraw/zinc/86/01/67/397860167.db2.gz GZEROYMMLHZPDP-UHFFFAOYSA-N 1 0 235.287 0.288 20 30 BCEDRO C#CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000491748977 397867257 /nfs/dbraw/zinc/86/72/57/397867257.db2.gz FMOFYHYDNFWKDT-JTQLQIEISA-N 1 0 209.293 0.355 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)[C@H](C)N1CCOCC1 ZINC000491749065 397867300 /nfs/dbraw/zinc/86/73/00/397867300.db2.gz SEWQDLNOTIILKG-QWRGUYRKSA-N 1 0 224.304 0.187 20 30 BCEDRO CCOC(=O)CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151498 397944851 /nfs/dbraw/zinc/94/48/51/397944851.db2.gz PJHXEJFQBRMDFE-LBPRGKRZSA-N 1 0 240.303 0.680 20 30 BCEDRO COCC[C@@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151423 397944959 /nfs/dbraw/zinc/94/49/59/397944959.db2.gz OTFZPRBOQDZKCI-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+](C[C@H]2CNC(=O)C2)C1 ZINC000595623210 397993281 /nfs/dbraw/zinc/99/32/81/397993281.db2.gz JWYZPIAHOXGTCD-WDEREUQCSA-N 1 0 221.304 0.748 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000649621535 398002780 /nfs/dbraw/zinc/00/27/80/398002780.db2.gz DRHORIRIQMQKOI-AEJSXWLSSA-N 1 0 210.277 0.198 20 30 BCEDRO C[C@@H](C(=O)N[C@H](C#N)CO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000597746012 398017411 /nfs/dbraw/zinc/01/74/11/398017411.db2.gz GYWZLBIKTYCREC-ZRUFSTJUSA-N 1 0 239.319 0.248 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1C[C@H](C)O[C@@H](C)C1 ZINC000491616290 398048208 /nfs/dbraw/zinc/04/82/08/398048208.db2.gz IMHIIZKJMBXELM-QWRGUYRKSA-N 1 0 238.331 0.672 20 30 BCEDRO C[N@H+](CCOCCO)C[C@@H](O)CC(C)(C)C#N ZINC000598617821 398032797 /nfs/dbraw/zinc/03/27/97/398032797.db2.gz HTAUFPCBHRFIMV-NSHDSACASA-N 1 0 244.335 0.228 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C[C@H]1CCCOC1 ZINC000491118803 398032851 /nfs/dbraw/zinc/03/28/51/398032851.db2.gz GACHWSDQHZCBBJ-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C[C@H](CO)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598616824 398032895 /nfs/dbraw/zinc/03/28/95/398032895.db2.gz YVPSYMDAYYHVAN-NXEZZACHSA-N 1 0 214.309 0.600 20 30 BCEDRO CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H](C)CO ZINC000598617320 398033020 /nfs/dbraw/zinc/03/30/20/398033020.db2.gz IJLRHICZZJTBIS-GHMZBOCLSA-N 1 0 228.336 0.990 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000491229501 398034527 /nfs/dbraw/zinc/03/45/27/398034527.db2.gz HOQNJEQNSACXAI-YPMHNXCESA-N 1 0 249.358 0.198 20 30 BCEDRO C#CC[N@H+](C)CCC(=O)N1CCCCC1 ZINC000491265692 398034787 /nfs/dbraw/zinc/03/47/87/398034787.db2.gz MLUAPKHDJLWTSI-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C#CCNC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000170740343 398035932 /nfs/dbraw/zinc/03/59/32/398035932.db2.gz IZXKQKHFSMZXGP-JTQLQIEISA-N 1 0 211.309 0.649 20 30 BCEDRO C#C[C@H](NC(=O)N(C)CCC[NH3+])C(C)C ZINC000491308170 398039316 /nfs/dbraw/zinc/03/93/16/398039316.db2.gz UCLDEJOXHYPDKD-JTQLQIEISA-N 1 0 211.309 0.634 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CC[C@H](F)C1 ZINC000491408270 398040863 /nfs/dbraw/zinc/04/08/63/398040863.db2.gz VCOPJWPFUKMAKX-UWVGGRQHSA-N 1 0 212.268 0.606 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452133992 397985147 /nfs/dbraw/zinc/98/51/47/397985147.db2.gz TWDXWMUQORGODD-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([NH2+]Cc2ccccc2)C1=O ZINC000491675192 398059416 /nfs/dbraw/zinc/05/94/16/398059416.db2.gz YVDATYPKTRUNJN-GFCCVEGCSA-N 1 0 242.278 0.537 20 30 BCEDRO C#C[C@@H](NC(=O)N1CC[NH2+]CC1)C(C)C ZINC000491769013 398067707 /nfs/dbraw/zinc/06/77/07/398067707.db2.gz MCTYTMCRJQXKSD-SNVBAGLBSA-N 1 0 209.293 0.259 20 30 BCEDRO C[C@H](C(=O)N([C@@H](C)C#N)C1CC1)[NH+](C)C ZINC000602179524 398067814 /nfs/dbraw/zinc/06/78/14/398067814.db2.gz NTVLZFDRGRNPAW-DTWKUNHWSA-N 1 0 209.293 0.840 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)[C@H](C)c1ccccc1 ZINC000491795873 398072006 /nfs/dbraw/zinc/07/20/06/398072006.db2.gz XRHAWVNQYZNCNZ-MRVWCRGKSA-N 1 0 233.311 0.735 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)[C@@H](C)c1ccccc1 ZINC000491795874 398072131 /nfs/dbraw/zinc/07/21/31/398072131.db2.gz XRHAWVNQYZNCNZ-YUTCNCBUSA-N 1 0 233.311 0.735 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)[C@H](O)CC ZINC000491801198 398074136 /nfs/dbraw/zinc/07/41/36/398074136.db2.gz BUQNSDPPCBKQCQ-WDEREUQCSA-N 1 0 226.320 0.265 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)[C@@H](O)CC ZINC000491801196 398074220 /nfs/dbraw/zinc/07/42/20/398074220.db2.gz BUQNSDPPCBKQCQ-MNOVXSKESA-N 1 0 226.320 0.265 20 30 BCEDRO CC[NH2+][C@@H](C)C(=O)N1CCN(CCC#N)CC1 ZINC000602604378 398077219 /nfs/dbraw/zinc/07/72/19/398077219.db2.gz OWTBBCGYXUPSIZ-NSHDSACASA-N 1 0 238.335 0.042 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H](C[NH3+])C1 ZINC000381035001 398085792 /nfs/dbraw/zinc/08/57/92/398085792.db2.gz BCYZIWIEAFNUQC-SNVBAGLBSA-N 1 0 212.293 0.386 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649762658 398089326 /nfs/dbraw/zinc/08/93/26/398089326.db2.gz SOLZZCRLJRYHKT-IJLUTSLNSA-N 1 0 229.320 0.395 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CC[C@@H](OC)C1 ZINC000491671054 398058562 /nfs/dbraw/zinc/05/85/62/398058562.db2.gz PVRFEPDQVFKDOL-WDEREUQCSA-N 1 0 224.304 0.283 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCn2cc(C)nc2C1 ZINC000613400932 398098376 /nfs/dbraw/zinc/09/83/76/398098376.db2.gz GBILVTCVMTVMDG-VIFPVBQESA-N 1 0 221.260 0.081 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000571917929 398128018 /nfs/dbraw/zinc/12/80/18/398128018.db2.gz IHFKPXZFNMMIBS-ZJUUUORDSA-N 1 0 210.277 0.009 20 30 BCEDRO C[C@H](Cn1ccnc1)NC(=O)c1c[nH]c(C#N)c1 ZINC000272018622 487562431 /nfs/dbraw/zinc/56/24/31/487562431.db2.gz RNUOKVFYCMSESP-SECBINFHSA-N 1 0 243.270 0.901 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000685636837 487568556 /nfs/dbraw/zinc/56/85/56/487568556.db2.gz HIGUPPDARNGFBU-PWSUYJOCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000685636838 487569003 /nfs/dbraw/zinc/56/90/03/487569003.db2.gz HIGUPPDARNGFBU-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H](C)[NH2+]C2CC2)nn1 ZINC000424204115 487574796 /nfs/dbraw/zinc/57/47/96/487574796.db2.gz DLOIKHDQUXCQLG-VIFPVBQESA-N 1 0 249.318 0.221 20 30 BCEDRO C(CNC1=[NH+]CCCN1)C[C@@H]1CCOC1 ZINC000401201115 322902430 /nfs/dbraw/zinc/90/24/30/322902430.db2.gz ONBGLEJQIZZPSX-SNVBAGLBSA-N 1 0 211.309 0.742 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000680431132 487591117 /nfs/dbraw/zinc/59/11/17/487591117.db2.gz ZPUURSDGGZRXCY-STQMWFEESA-N 1 0 222.332 0.805 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000612520360 487597148 /nfs/dbraw/zinc/59/71/48/487597148.db2.gz XWCILOQHYGBGLM-TUAOUCFPSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C1CCN(C(=O)CC)CC1 ZINC000680471066 487602209 /nfs/dbraw/zinc/60/22/09/487602209.db2.gz TYHOMHWXGOWXRW-GFCCVEGCSA-N 1 0 240.347 0.914 20 30 BCEDRO C#CCCC[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000271064488 166128114 /nfs/dbraw/zinc/12/81/14/166128114.db2.gz UBZHOEDEZPFMCD-SNVBAGLBSA-N 1 0 212.293 0.222 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2nnc(CC)[nH]2)CC1 ZINC000159611013 166137895 /nfs/dbraw/zinc/13/78/95/166137895.db2.gz ATXDXRDKFMKHLM-UHFFFAOYSA-N 1 0 247.346 0.508 20 30 BCEDRO C#CCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC000264851635 166139768 /nfs/dbraw/zinc/13/97/68/166139768.db2.gz CEOXQEZBDZMHNR-UHFFFAOYSA-N 1 0 218.300 0.471 20 30 BCEDRO C=CCOCCn1cc(C[NH2+]CC)nn1 ZINC000052598966 409960478 /nfs/dbraw/zinc/96/04/78/409960478.db2.gz UZXGBUCFJCCQQQ-UHFFFAOYSA-N 1 0 210.281 0.590 20 30 BCEDRO C=CC[N@@H+](CCc1c[nH]nn1)[C@@H](C)COC ZINC000661240867 410402916 /nfs/dbraw/zinc/40/29/16/410402916.db2.gz SKITVZSSGGWHHU-JTQLQIEISA-N 1 0 224.308 0.870 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000079264200 166179935 /nfs/dbraw/zinc/17/99/35/166179935.db2.gz OOGOKBAVWOYCMF-JTQLQIEISA-N 1 0 221.304 0.403 20 30 BCEDRO C#CC[NH2+]CC(=O)N1CCc2sccc2C1 ZINC000035099791 166186765 /nfs/dbraw/zinc/18/67/65/166186765.db2.gz SZJLICCAFGGTID-UHFFFAOYSA-N 1 0 234.324 0.856 20 30 BCEDRO C#CCOc1ccc(C[NH2+]C[C@@H](O)COC)cc1 ZINC000265433924 166198596 /nfs/dbraw/zinc/19/85/96/166198596.db2.gz SMURIUQJHAULQH-CYBMUJFWSA-N 1 0 249.310 0.796 20 30 BCEDRO C#CCSCCNC(=O)[C@H](CC)[NH+](C)C ZINC000155710109 166203027 /nfs/dbraw/zinc/20/30/27/166203027.db2.gz RSVLQTOAXGZEON-JTQLQIEISA-N 1 0 228.361 0.809 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000274826890 166208886 /nfs/dbraw/zinc/20/88/86/166208886.db2.gz QZMOOJFOEXFAMO-MNOVXSKESA-N 1 0 239.319 0.028 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000274870350 166209071 /nfs/dbraw/zinc/20/90/71/166209071.db2.gz ZDHHTJHTZPXELA-SECBINFHSA-N 1 0 209.293 0.402 20 30 BCEDRO C=CCCOCC[NH2+]CN1CCC(=O)CC1 ZINC000273004521 166271204 /nfs/dbraw/zinc/27/12/04/166271204.db2.gz AFULUDVANQBPEL-UHFFFAOYSA-N 1 0 226.320 0.791 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274848831 166272518 /nfs/dbraw/zinc/27/25/18/166272518.db2.gz YAQBKLATRKVPMJ-QWRGUYRKSA-N 1 0 242.319 0.154 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000268646669 166297149 /nfs/dbraw/zinc/29/71/49/166297149.db2.gz OHDUJPKKRVZZNR-MNOVXSKESA-N 1 0 226.320 0.653 20 30 BCEDRO C=CCN(C)C(=O)NCC[N@@H+](C)CCCOC ZINC000155101508 166314619 /nfs/dbraw/zinc/31/46/19/166314619.db2.gz SUKXXQCTWWHDBO-UHFFFAOYSA-N 1 0 243.351 0.782 20 30 BCEDRO C=CCN(CC=C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000085618986 166328647 /nfs/dbraw/zinc/32/86/47/166328647.db2.gz ZKZGJDDZBHVHAK-LLVKDONJSA-N 1 0 224.304 0.566 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CCC[C@@H]([NH3+])C1 ZINC000041029036 166329001 /nfs/dbraw/zinc/32/90/01/166329001.db2.gz UXIFUCCEJYFQJC-GFCCVEGCSA-N 1 0 237.347 0.610 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@H](O)C1 ZINC000265206894 166330912 /nfs/dbraw/zinc/33/09/12/166330912.db2.gz KXSCWGLHROUNNG-NEPJUHHUSA-N 1 0 238.331 0.642 20 30 BCEDRO C=CC[N@@H+](CCC(=O)NCC(=O)OC)C1CC1 ZINC000271370341 166339672 /nfs/dbraw/zinc/33/96/72/166339672.db2.gz GWKRFRLXCKEVKL-UHFFFAOYSA-N 1 0 240.303 0.316 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2cnccn2)CC1 ZINC000171721839 166352726 /nfs/dbraw/zinc/35/27/26/166352726.db2.gz GGTXPTATTZXSPJ-UHFFFAOYSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)NOCC)CC1 ZINC000172346582 166354051 /nfs/dbraw/zinc/35/40/51/166354051.db2.gz VJENBZNVBDMUOG-UHFFFAOYSA-N 1 0 227.308 0.888 20 30 BCEDRO C=CCN1CCN(C(=O)[C@]2(C)CC[NH2+]C2)CC1 ZINC000062898758 166354656 /nfs/dbraw/zinc/35/46/56/166354656.db2.gz BWLGLZGRZMUXOL-CYBMUJFWSA-N 1 0 237.347 0.316 20 30 BCEDRO C=CCN1CCN(c2nccn2C)CC1 ZINC000269698103 166356848 /nfs/dbraw/zinc/35/68/48/166356848.db2.gz KRHYWXPKYMKZPI-UHFFFAOYSA-N 1 0 206.293 0.728 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000274001602 166358273 /nfs/dbraw/zinc/35/82/73/166358273.db2.gz NFWKCICEQOBDJQ-JTQLQIEISA-N 1 0 209.293 0.708 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](C(=O)N2CCOCC2)C1 ZINC000375477147 166358279 /nfs/dbraw/zinc/35/82/79/166358279.db2.gz XTYFOTOGEDDLEY-VXGBXAGGSA-N 1 0 238.331 0.599 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000270208725 166366241 /nfs/dbraw/zinc/36/62/41/166366241.db2.gz XZKYLOOGGCTNCV-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000078660778 166370527 /nfs/dbraw/zinc/37/05/27/166370527.db2.gz MRLLPBFOLWKPCU-UHFFFAOYSA-N 1 0 239.319 0.066 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)C(=O)OCC ZINC000274131129 166370641 /nfs/dbraw/zinc/37/06/41/166370641.db2.gz YIQYUXREAHOCLG-NXEZZACHSA-N 1 0 242.319 0.466 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CCO)C(C)C ZINC000273955425 166371086 /nfs/dbraw/zinc/37/10/86/166371086.db2.gz FVARNOJYLOCVGI-JTQLQIEISA-N 1 0 214.309 0.285 20 30 BCEDRO C=CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267110449 166379219 /nfs/dbraw/zinc/37/92/19/166379219.db2.gz NIFIBUDQKLMSJF-LLVKDONJSA-N 1 0 243.376 0.909 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CC1CC(O)C1 ZINC000084453932 166387697 /nfs/dbraw/zinc/38/76/97/166387697.db2.gz NSZVMRYADYYNCN-WHXUTIOJSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000191710391 166388333 /nfs/dbraw/zinc/38/83/33/166388333.db2.gz AAFYNHWVEDQCJZ-GUBZILKMSA-N 1 0 214.309 0.690 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000166096944 166388626 /nfs/dbraw/zinc/38/86/26/166388626.db2.gz VPLJYLGEIVPSRK-AXFHLTTASA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCCCCCNC(=O)COCC[NH3+] ZINC000655488338 410792563 /nfs/dbraw/zinc/79/25/63/410792563.db2.gz FSCNCYPDSQLXRD-UHFFFAOYSA-N 1 0 214.309 0.824 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661620549 411069745 /nfs/dbraw/zinc/06/97/45/411069745.db2.gz BDJMCWJGMOPAEH-DCAQKATOSA-N 1 0 213.321 0.872 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661603804 411025990 /nfs/dbraw/zinc/02/59/90/411025990.db2.gz WGOFULBLAURFQK-QWRGUYRKSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000659555734 411163825 /nfs/dbraw/zinc/16/38/25/411163825.db2.gz SRXUIBNMRGUJIT-MNOVXSKESA-N 1 0 241.335 0.616 20 30 BCEDRO Cc1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)nn1C ZINC000594449530 411147238 /nfs/dbraw/zinc/14/72/38/411147238.db2.gz JHWBXMPSISMHTB-JTQLQIEISA-N 1 0 249.318 1.078 20 30 BCEDRO C=CCCn1cc(CN2CC[C@H]([NH2+]C)C2)nn1 ZINC000655936265 411159346 /nfs/dbraw/zinc/15/93/46/411159346.db2.gz CIWFTLRMQVGJPU-NSHDSACASA-N 1 0 235.335 0.648 20 30 BCEDRO C=CCCn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000655936476 411159464 /nfs/dbraw/zinc/15/94/64/411159464.db2.gz GZTWPWMQHUFSEQ-NSHDSACASA-N 1 0 235.335 0.777 20 30 BCEDRO COCC#CC[N@@H+]1CCCCC[C@H]1CO ZINC000653783270 411170916 /nfs/dbraw/zinc/17/09/16/411170916.db2.gz HFRVJNXLJKGGMT-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CCCNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000659563382 411175645 /nfs/dbraw/zinc/17/56/45/411175645.db2.gz UXWAPOHBVMGZHW-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO CCC#C[C@H](C)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000653686388 411178205 /nfs/dbraw/zinc/17/82/05/411178205.db2.gz YMNNMTLOPRJENW-SRVKXCTJSA-N 1 0 210.321 0.395 20 30 BCEDRO CC[NH+](CC)[C@H](C)CNc1cc(C#N)cnn1 ZINC000596074883 411178724 /nfs/dbraw/zinc/17/87/24/411178724.db2.gz ADCVZPRBLJCHGU-SNVBAGLBSA-N 1 0 233.319 1.490 20 30 BCEDRO C=CCCOCC(=O)NCC1([NH3+])CCC1 ZINC000309597612 411179399 /nfs/dbraw/zinc/17/93/99/411179399.db2.gz IZMXIADRPOLUFH-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1COC2(CCC2)C1 ZINC000657953712 411179707 /nfs/dbraw/zinc/17/97/07/411179707.db2.gz SHDSMBPHYOEDPJ-JTQLQIEISA-N 1 0 224.304 0.590 20 30 BCEDRO C=C(CC)C[NH+]1CCN(c2nncn2C)CC1 ZINC000653824061 411193897 /nfs/dbraw/zinc/19/38/97/411193897.db2.gz RXANFNWBJJHJFQ-UHFFFAOYSA-N 1 0 235.335 0.903 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[NH+]1CCC1 ZINC000656183593 411195852 /nfs/dbraw/zinc/19/58/52/411195852.db2.gz BGRQXNFYIBAWKS-MNOVXSKESA-N 1 0 239.319 0.335 20 30 BCEDRO C=CCOCCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000659596763 411200155 /nfs/dbraw/zinc/20/01/55/411200155.db2.gz KQZBUQUUNDNHSD-SNVBAGLBSA-N 1 0 229.324 0.568 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCN(C(C)(C)C)C1=O ZINC000662168689 411372721 /nfs/dbraw/zinc/37/27/21/411372721.db2.gz QSBGWBHGVQRHNF-ZJUUUORDSA-N 1 0 226.320 0.522 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000662168468 411372760 /nfs/dbraw/zinc/37/27/60/411372760.db2.gz HMSWDYXNZZPNCQ-RNFRBKRXSA-N 1 0 213.199 0.436 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000304276119 411358521 /nfs/dbraw/zinc/35/85/21/411358521.db2.gz WKZJZAVQWVKJFY-RYUDHWBXSA-N 1 0 228.336 0.546 20 30 BCEDRO C=CCCC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000338652077 411363084 /nfs/dbraw/zinc/36/30/84/411363084.db2.gz YOAZSUUZQBCLJR-UHFFFAOYSA-N 1 0 236.319 1.349 20 30 BCEDRO C=CCN(C(=O)C[NH2+]CCOC)[C@@H](C)COC ZINC000659340485 411368284 /nfs/dbraw/zinc/36/82/84/411368284.db2.gz UZXMQLHOWYAEDP-NSHDSACASA-N 1 0 244.335 0.272 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NCCC(C)C ZINC000662165772 411370444 /nfs/dbraw/zinc/37/04/44/411370444.db2.gz OENUPTKRGMMQFP-WDEREUQCSA-N 1 0 228.336 0.674 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCN(c2ccccc2)C1=O ZINC000662165622 411370477 /nfs/dbraw/zinc/37/04/77/411370477.db2.gz JWYDFJUHLYQFDN-DGCLKSJQSA-N 1 0 246.310 0.928 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NC(C)(C)C ZINC000662166254 411370812 /nfs/dbraw/zinc/37/08/12/411370812.db2.gz XMJYXGSFWWWIMK-RKDXNWHRSA-N 1 0 214.309 0.426 20 30 BCEDRO CC1(C)[C@@H](O)C[C@@H]1NC(=[NH2+])NCC1CCC1 ZINC000186874246 168000739 /nfs/dbraw/zinc/00/07/39/168000739.db2.gz KFYSCBVDRQYSHV-UWVGGRQHSA-N 1 0 225.336 0.850 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H](C)[C@@H]1CC[NH3+] ZINC000404313311 411390890 /nfs/dbraw/zinc/39/08/90/411390890.db2.gz XZQGAAHGXCXFFE-RYUDHWBXSA-N 1 0 239.363 0.738 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@H]2CCOC2)nn1 ZINC000657309463 411459153 /nfs/dbraw/zinc/45/91/53/411459153.db2.gz NVKZAZWEEMXZHZ-LLVKDONJSA-N 1 0 236.319 0.980 20 30 BCEDRO C=C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654883737 411460494 /nfs/dbraw/zinc/46/04/94/411460494.db2.gz KYXOSHGREKJGPX-JTQLQIEISA-N 1 0 236.319 0.749 20 30 BCEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NCC#N ZINC000339922285 411393655 /nfs/dbraw/zinc/39/36/55/411393655.db2.gz GZAILAVSAISXSY-LLVKDONJSA-N 1 0 239.319 0.419 20 30 BCEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NCC#N ZINC000339922291 411393955 /nfs/dbraw/zinc/39/39/55/411393955.db2.gz GZAILAVSAISXSY-NSHDSACASA-N 1 0 239.319 0.419 20 30 BCEDRO C=CCN(C(=O)[C@@H]([NH3+])COC(C)C)C1CC1 ZINC000659319849 411394820 /nfs/dbraw/zinc/39/48/20/411394820.db2.gz CIPDLTRFDOZBMX-NSHDSACASA-N 1 0 226.320 0.916 20 30 BCEDRO C=CCN(C(=O)[C@H](C)C[NH2+]C)[C@@H](C)COC ZINC000659339519 411398748 /nfs/dbraw/zinc/39/87/48/411398748.db2.gz ISWYAOJGAOMRLK-MNOVXSKESA-N 1 0 228.336 0.891 20 30 BCEDRO C=CCCS(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000657093524 411405770 /nfs/dbraw/zinc/40/57/70/411405770.db2.gz XEJBURZSEYXSIN-SNVBAGLBSA-N 1 0 234.365 0.822 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000659382413 411407891 /nfs/dbraw/zinc/40/78/91/411407891.db2.gz OYONEPPBVHDDKS-JTQLQIEISA-N 1 0 230.308 0.058 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659390546 411411531 /nfs/dbraw/zinc/41/15/31/411411531.db2.gz ZZDOMRBARRSYHN-HBNTYKKESA-N 1 0 244.310 0.865 20 30 BCEDRO C=CCCOCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659472845 411419086 /nfs/dbraw/zinc/41/90/86/411419086.db2.gz CNQBDCBQTAOMEN-UHFFFAOYSA-N 1 0 243.351 0.958 20 30 BCEDRO C=CCCOCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659473029 411419414 /nfs/dbraw/zinc/41/94/14/411419414.db2.gz DUFZEROGDAHYRD-JTQLQIEISA-N 1 0 229.324 0.486 20 30 BCEDRO CC#CCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659482645 411419695 /nfs/dbraw/zinc/41/96/95/411419695.db2.gz OTQOIPTTZWPJMI-UHFFFAOYSA-N 1 0 211.309 0.779 20 30 BCEDRO C=CCCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000659508721 411423695 /nfs/dbraw/zinc/42/36/95/411423695.db2.gz ARVWKAFBRGJJKY-JTQLQIEISA-N 1 0 211.309 0.861 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000659527515 411429219 /nfs/dbraw/zinc/42/92/19/411429219.db2.gz NKDNZMXIPLGSKM-LLVKDONJSA-N 1 0 241.335 0.616 20 30 BCEDRO C=CCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000659535732 411431348 /nfs/dbraw/zinc/43/13/48/411431348.db2.gz FJSDUTJVJMZPJQ-NXEZZACHSA-N 1 0 211.309 0.860 20 30 BCEDRO C=CCN(C(=O)NC[C@H](C)[NH3+])[C@H](C)COC ZINC000659538798 411432003 /nfs/dbraw/zinc/43/20/03/411432003.db2.gz PMXLVSYPKIMITM-VHSXEESVSA-N 1 0 229.324 0.566 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@@H](C)[NH3+] ZINC000659541098 411432232 /nfs/dbraw/zinc/43/22/32/411432232.db2.gz ZYDZUDNJIZLVQW-SECBINFHSA-N 1 0 215.297 0.226 20 30 BCEDRO C=CCOCCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000659552143 411434417 /nfs/dbraw/zinc/43/44/17/411434417.db2.gz XRDFZXWAIPXELS-ZJUUUORDSA-N 1 0 229.324 0.614 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C[NH2+]C ZINC000659555585 411435389 /nfs/dbraw/zinc/43/53/89/411435389.db2.gz MVIVSDLADCBVPZ-DCAQKATOSA-N 1 0 241.335 0.485 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000659562683 411436120 /nfs/dbraw/zinc/43/61/20/411436120.db2.gz LJUMSCZUBORQQE-WDEREUQCSA-N 1 0 223.320 0.956 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000659562082 411436134 /nfs/dbraw/zinc/43/61/34/411436134.db2.gz FSOJALPFCHGOCR-VHSXEESVSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CCCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000659562077 411436177 /nfs/dbraw/zinc/43/61/77/411436177.db2.gz FSLFIZOBTZULEU-UWVGGRQHSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000659563556 411437003 /nfs/dbraw/zinc/43/70/03/411437003.db2.gz XBMCZIGRJWXZGK-NXEZZACHSA-N 1 0 211.309 0.941 20 30 BCEDRO C=C(C)CN(C)C[C@H](O)C[N@@H+](C)CC ZINC000653609258 411439306 /nfs/dbraw/zinc/43/93/06/411439306.db2.gz DTXKUBUMKQWTLP-LLVKDONJSA-N 1 0 200.326 0.807 20 30 BCEDRO C=CCOCCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000659598275 411440435 /nfs/dbraw/zinc/44/04/35/411440435.db2.gz ZDEAVLMAMAEYGZ-UHFFFAOYSA-N 1 0 241.335 0.710 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@@H](C)[C@@H](C)CO)nn1 ZINC000653615291 411441023 /nfs/dbraw/zinc/44/10/23/411441023.db2.gz ATXLCKWLIUCDDB-QWRGUYRKSA-N 1 0 238.335 0.961 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000659610554 411441405 /nfs/dbraw/zinc/44/14/05/411441405.db2.gz NIVFSIDGAUJKJH-GFCCVEGCSA-N 1 0 241.335 0.569 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000659610555 411441409 /nfs/dbraw/zinc/44/14/09/411441409.db2.gz NIVFSIDGAUJKJH-LBPRGKRZSA-N 1 0 241.335 0.569 20 30 BCEDRO C=CCN(C(=O)N[C@H](C)C[NH2+]C)[C@H](C)COC ZINC000659635947 411445117 /nfs/dbraw/zinc/44/51/17/411445117.db2.gz MIYQARGREAGFGS-GHMZBOCLSA-N 1 0 243.351 0.827 20 30 BCEDRO C=CCOCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000654990059 411472099 /nfs/dbraw/zinc/47/20/99/411472099.db2.gz AHPSDHMNRFCWRM-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCN(C(=O)N[C@H](C)CC[NH3+])[C@H](C)COC ZINC000659530534 411490043 /nfs/dbraw/zinc/49/00/43/411490043.db2.gz SVYFBMIKVWRXOO-GHMZBOCLSA-N 1 0 243.351 0.956 20 30 BCEDRO C=C1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000659910771 411495774 /nfs/dbraw/zinc/49/57/74/411495774.db2.gz NHNXNEGPXRQRGO-UHFFFAOYSA-N 1 0 237.303 0.532 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000309481989 411498294 /nfs/dbraw/zinc/49/82/94/411498294.db2.gz DYUZDMKPHNNCEW-YUMQZZPRSA-N 1 0 218.247 0.922 20 30 BCEDRO C=CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000659536558 411502507 /nfs/dbraw/zinc/50/25/07/411502507.db2.gz NWORDJJDGNTOMS-NXEZZACHSA-N 1 0 211.309 0.860 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cnn2c1CCC2 ZINC000657434217 411505844 /nfs/dbraw/zinc/50/58/44/411505844.db2.gz AQSLAWFZKRCVBN-LLVKDONJSA-N 1 0 221.304 0.856 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CO[C@H](CC)C1 ZINC000657429565 411507385 /nfs/dbraw/zinc/50/73/85/411507385.db2.gz RQBANSXSKLPTKR-NXEZZACHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCN(C(=O)NC[C@H]([NH3+])CC)[C@@H](C)COC ZINC000659547134 411516227 /nfs/dbraw/zinc/51/62/27/411516227.db2.gz BDQHBGREBZGKPN-WDEREUQCSA-N 1 0 243.351 0.956 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000660025946 411529510 /nfs/dbraw/zinc/52/95/10/411529510.db2.gz CGHKOTGMLJCFJQ-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCN(CCOC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660404262 411465589 /nfs/dbraw/zinc/46/55/89/411465589.db2.gz XDQGYPFQQWSGRU-ZDUSSCGKSA-N 1 0 244.379 0.822 20 30 BCEDRO C=CCNC(=O)CN1CCC[N@@H+](CC)C[C@H]1C ZINC000660792667 411636295 /nfs/dbraw/zinc/63/62/95/411636295.db2.gz FHKFCJYWZHUDCB-GFCCVEGCSA-N 1 0 239.363 0.705 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H]1CNC(=O)C1 ZINC000660402487 411580315 /nfs/dbraw/zinc/58/03/15/411580315.db2.gz HSOYXSWROUDGKP-JTQLQIEISA-N 1 0 212.293 0.257 20 30 BCEDRO C=CCOCC[NH2+]Cc1cnnn1CC ZINC000657764306 411593074 /nfs/dbraw/zinc/59/30/74/411593074.db2.gz OQDQFADMCGQFEZ-UHFFFAOYSA-N 1 0 210.281 0.590 20 30 BCEDRO C=CCCNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000660704195 411618189 /nfs/dbraw/zinc/61/81/89/411618189.db2.gz LNYBSGOHQPDLAJ-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](COC)OC ZINC000660740297 411620155 /nfs/dbraw/zinc/62/01/55/411620155.db2.gz OLNGEZCXZHTTNR-UTUOFQBUSA-N 1 0 229.320 0.971 20 30 BCEDRO C=CCCNC(=O)NCC[N@@H+](C)CCCOC ZINC000660738831 411620200 /nfs/dbraw/zinc/62/02/00/411620200.db2.gz GIMYGEXNQLVVBG-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@@H]1C(=O)Nc1n[nH]cc1C#N ZINC000583629585 411743000 /nfs/dbraw/zinc/74/30/00/411743000.db2.gz OUTFQPDYLAQAKV-IUCAKERBSA-N 1 0 233.275 0.608 20 30 BCEDRO CC[C@@H](C#N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000593441425 411721453 /nfs/dbraw/zinc/72/14/53/411721453.db2.gz SRJNILPENFOMKA-JTQLQIEISA-N 1 0 249.318 0.933 20 30 BCEDRO C=CCCNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000661564659 411802955 /nfs/dbraw/zinc/80/29/55/411802955.db2.gz CRJUNPVEISIAAO-MNOVXSKESA-N 1 0 223.320 0.908 20 30 BCEDRO C=CCCC[NH2+]C1(C(N)=O)CCOCC1 ZINC000661594638 411810605 /nfs/dbraw/zinc/81/06/05/411810605.db2.gz YWONQIXURDWIAI-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO C[C@@H](CCNc1ccc(C#N)c(N)n1)[NH+](C)C ZINC000596430841 411817335 /nfs/dbraw/zinc/81/73/35/411817335.db2.gz KZDUVNDJTDLLKD-VIFPVBQESA-N 1 0 233.319 1.288 20 30 BCEDRO C[C@@H](CNc1cc(C#N)ncn1)C[NH+](C)C ZINC000381359598 411820819 /nfs/dbraw/zinc/82/08/19/411820819.db2.gz DPWNRHMQBGBNEN-VIFPVBQESA-N 1 0 219.292 0.958 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661702475 411848403 /nfs/dbraw/zinc/84/84/03/411848403.db2.gz PZJJFAUTIREODI-CMPLNLGQSA-N 1 0 224.304 0.257 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCc2nnc(N)cc2C1 ZINC000363877613 411849252 /nfs/dbraw/zinc/84/92/52/411849252.db2.gz DLQRPKFEOCYQAP-NSHDSACASA-N 1 0 248.330 0.744 20 30 BCEDRO C=CCOCCNc1nc(N)[nH+]c2c1CCCC2 ZINC000645208253 411851815 /nfs/dbraw/zinc/85/18/15/411851815.db2.gz LUEMRZKIVRVJNA-UHFFFAOYSA-N 1 0 248.330 0.974 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661811419 411891508 /nfs/dbraw/zinc/89/15/08/411891508.db2.gz RDYMRJLIUPKIKN-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661836524 411900155 /nfs/dbraw/zinc/90/01/55/411900155.db2.gz FNUADWDJLZBTRJ-NXEZZACHSA-N 1 0 224.304 0.182 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CCC3(COC3)C2)C1=O ZINC000662073051 411973318 /nfs/dbraw/zinc/97/33/18/411973318.db2.gz QPEDGCXSQVJJGW-LLVKDONJSA-N 1 0 236.315 0.496 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662138507 411988506 /nfs/dbraw/zinc/98/85/06/411988506.db2.gz WTXQJDZMJNDEEZ-PWSUYJOCSA-N 1 0 226.320 0.239 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCC(C)CC1 ZINC000662165239 412014502 /nfs/dbraw/zinc/01/45/02/412014502.db2.gz AYICVEHLJMBJRL-LLVKDONJSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000662163799 412014798 /nfs/dbraw/zinc/01/47/98/412014798.db2.gz LCNKZWTYESSUEJ-SECBINFHSA-N 1 0 239.275 0.448 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCCC[C@H]1C ZINC000662165933 412014932 /nfs/dbraw/zinc/01/49/32/412014932.db2.gz QMCWCDSIWYWYDV-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCC(=O)NCCCC ZINC000662165442 412015195 /nfs/dbraw/zinc/01/51/95/412015195.db2.gz GEAWWUMIFJVBBZ-SNVBAGLBSA-N 1 0 214.309 0.429 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@H]1CCCC[C@H]1C ZINC000662167405 412016794 /nfs/dbraw/zinc/01/67/94/412016794.db2.gz CKKLCLSZFIPSCR-UTUOFQBUSA-N 1 0 240.347 0.818 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@@H](C)CC ZINC000662168134 412016809 /nfs/dbraw/zinc/01/68/09/412016809.db2.gz ZCFYPRWQJONTGO-DTWKUNHWSA-N 1 0 200.282 0.038 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N1CCCCC1 ZINC000662167930 412016834 /nfs/dbraw/zinc/01/68/34/412016834.db2.gz SRBKVHNBZZTYPS-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000662168961 412017490 /nfs/dbraw/zinc/01/74/90/412017490.db2.gz BIRSPIVNHLERQZ-AXFHLTTASA-N 1 0 215.293 0.174 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCO[C@H]1CC1(F)F ZINC000662169500 412017771 /nfs/dbraw/zinc/01/77/71/412017771.db2.gz NACMVIXAUFRGRJ-SFYZADRCSA-N 1 0 207.220 0.547 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000662168942 412017959 /nfs/dbraw/zinc/01/79/59/412017959.db2.gz ZOSKESXWZQMKTK-WISYIIOYSA-N 1 0 238.331 0.570 20 30 BCEDRO C#CC[N@@H+](C)CCCNc1cc(COC)ncn1 ZINC000491068714 412043128 /nfs/dbraw/zinc/04/31/28/412043128.db2.gz QFSYEVKKNZISCR-UHFFFAOYSA-N 1 0 248.330 0.990 20 30 BCEDRO CC[C@@H]1CC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000336742763 171058576 /nfs/dbraw/zinc/05/85/76/171058576.db2.gz SMCGJODHJVFHHJ-NXEZZACHSA-N 1 0 219.292 0.928 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCCC[NH+](CC)CC ZINC000665152639 412112928 /nfs/dbraw/zinc/11/29/28/412112928.db2.gz WWJRRSIXGQZLDI-GFCCVEGCSA-N 1 0 228.336 0.772 20 30 BCEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc(C#N)cnn1 ZINC000596161300 412134453 /nfs/dbraw/zinc/13/44/53/412134453.db2.gz HCAMIULDWTWOQY-BXKDBHETSA-N 1 0 243.314 1.243 20 30 BCEDRO C=CC[C@]1(C(=O)N2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000662458849 412181782 /nfs/dbraw/zinc/18/17/82/412181782.db2.gz SARMUUFNHNZAQV-WCQYABFASA-N 1 0 238.331 0.932 20 30 BCEDRO C[C@H](CC#N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000597021219 412194869 /nfs/dbraw/zinc/19/48/69/412194869.db2.gz VRXCYOISUIQLJY-SNVBAGLBSA-N 1 0 249.318 0.933 20 30 BCEDRO C=CC[C@@]1(C(=O)N2CCCOCC2)CCC[NH2+]1 ZINC000662508619 412198924 /nfs/dbraw/zinc/19/89/24/412198924.db2.gz XUFXTWORWMWBNQ-ZDUSSCGKSA-N 1 0 238.331 0.934 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]2CCC[C@H]2[NH3+])nn1 ZINC000662523056 412204379 /nfs/dbraw/zinc/20/43/79/412204379.db2.gz WZPCNJIWUCYTIA-WDEREUQCSA-N 1 0 249.318 0.208 20 30 BCEDRO C[C@H](CNc1ccc(C#N)c(N)n1)C[NH+](C)C ZINC000594582291 412206899 /nfs/dbraw/zinc/20/68/99/412206899.db2.gz POUIHTQVBVFNJA-SECBINFHSA-N 1 0 233.319 1.145 20 30 BCEDRO C[NH+](C)C1(CNc2ccc(C#N)cn2)CC1 ZINC000397835831 412152529 /nfs/dbraw/zinc/15/25/29/412152529.db2.gz OQOURWAARRJSRI-UHFFFAOYSA-N 1 0 216.288 1.459 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)Nc1ccn(CCC#N)n1 ZINC000491881059 412153114 /nfs/dbraw/zinc/15/31/14/412153114.db2.gz GALVEBGGPYOXCD-HWKANZROSA-N 1 0 247.302 0.853 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H](CO)[C@@H]1C ZINC000665270706 412214016 /nfs/dbraw/zinc/21/40/16/412214016.db2.gz UXAPFNWFFNJQJU-NWDGAFQWSA-N 1 0 211.305 0.729 20 30 BCEDRO C[NH+](C)CCn1ccc(NC(=O)C(C)(C)C#N)n1 ZINC000330432935 412167449 /nfs/dbraw/zinc/16/74/49/412167449.db2.gz KMSUUGQPKGIZNQ-UHFFFAOYSA-N 1 0 249.318 0.933 20 30 BCEDRO C=CC[C@@]1(C(=O)N2CCOCC2)CCC[NH2+]1 ZINC000662431800 412168778 /nfs/dbraw/zinc/16/87/78/412168778.db2.gz GOJFABJTFWURRR-LBPRGKRZSA-N 1 0 224.304 0.544 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@H](C)COC)CCC[NH2+]1 ZINC000662437809 412174324 /nfs/dbraw/zinc/17/43/24/412174324.db2.gz VEQOMTWOZYEIKV-ZYHUDNBSSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CC[C@]1(C(=O)NC[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662693696 412273056 /nfs/dbraw/zinc/27/30/56/412273056.db2.gz LLGLPYWYTAJIGZ-WCQYABFASA-N 1 0 239.363 0.751 20 30 BCEDRO C=CC[C@@]1(C(=O)N(C)[C@@H]2CCOC2)CCC[NH2+]1 ZINC000662578856 412227257 /nfs/dbraw/zinc/22/72/57/412227257.db2.gz WRWLLGRMRHSGGT-YPMHNXCESA-N 1 0 238.331 0.932 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCNc2cnccn2)C1 ZINC000447581763 412246898 /nfs/dbraw/zinc/24/68/98/412246898.db2.gz VYQGUZPNHQIOJN-NEPJUHHUSA-N 1 0 245.330 1.560 20 30 BCEDRO CNc1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)cn1 ZINC000424178654 412312313 /nfs/dbraw/zinc/31/23/13/412312313.db2.gz RREFNKQICBNURG-JTQLQIEISA-N 1 0 247.302 1.083 20 30 BCEDRO CC(C)c1cc(NC(=O)[C@@H]([NH3+])CCCC#N)n[nH]1 ZINC000568979247 412321027 /nfs/dbraw/zinc/32/10/27/412321027.db2.gz AWYHRESWXASQBD-VIFPVBQESA-N 1 0 249.318 1.493 20 30 BCEDRO C=CC[C@@]1(C(=O)NCCCCO)CCC[NH2+]1 ZINC000662852413 412323286 /nfs/dbraw/zinc/32/32/86/412323286.db2.gz CLCYVMZIOIFNCW-LBPRGKRZSA-N 1 0 226.320 0.573 20 30 BCEDRO C=CCN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H](C)COC ZINC000662854327 412324695 /nfs/dbraw/zinc/32/46/95/412324695.db2.gz LTLWICUTKXHAOI-GMTAPVOTSA-N 1 0 226.320 0.773 20 30 BCEDRO C=CCN(C(=O)CC[NH2+]C)[C@@H](C)COC ZINC000662855410 412325465 /nfs/dbraw/zinc/32/54/65/412325465.db2.gz SLTXQSIOPZYPSH-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCN(C(=O)CC1([NH3+])CC1)[C@@H](C)COC ZINC000662855973 412325805 /nfs/dbraw/zinc/32/58/05/412325805.db2.gz XOBWACRLCARVII-JTQLQIEISA-N 1 0 226.320 0.917 20 30 BCEDRO CCC(CC)[NH2+]CCNc1cc(C#N)cnn1 ZINC000599098668 412336955 /nfs/dbraw/zinc/33/69/55/412336955.db2.gz XPKBBWWGLCPHTQ-UHFFFAOYSA-N 1 0 233.319 1.538 20 30 BCEDRO C=CCCC(C)(C)NC(=O)COCC[NH3+] ZINC000662952046 412352088 /nfs/dbraw/zinc/35/20/88/412352088.db2.gz CAXNKCBCGUJQPB-UHFFFAOYSA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCCOCC(=O)N[C@@H](C)C[NH2+]C ZINC000662961215 412355570 /nfs/dbraw/zinc/35/55/70/412355570.db2.gz FDUCHEQKHRDJBV-VIFPVBQESA-N 1 0 200.282 0.303 20 30 BCEDRO C[NH2+]C[C@@H](C)CNc1ccc(C)c(C#N)n1 ZINC000420221038 412292605 /nfs/dbraw/zinc/29/26/05/412292605.db2.gz ZRVJQADDRXXJPJ-SECBINFHSA-N 1 0 218.304 1.529 20 30 BCEDRO C=CC[C@@]1(C(=O)NCC(F)(F)CN)CCC[NH2+]1 ZINC000662767074 412295886 /nfs/dbraw/zinc/29/58/86/412295886.db2.gz RKOVENCWRVGZTP-JTQLQIEISA-N 1 0 247.289 0.395 20 30 BCEDRO C[NH2+][C@H](CC(C)(C)C)C(=O)Nc1n[nH]cc1C#N ZINC000567350616 412297776 /nfs/dbraw/zinc/29/77/76/412297776.db2.gz PYCCDLPCJAHEGB-SECBINFHSA-N 1 0 249.318 1.244 20 30 BCEDRO Cc1cc(C#N)nc(NCC[C@@H](C)[NH+](C)C)n1 ZINC000596429717 412302335 /nfs/dbraw/zinc/30/23/35/412302335.db2.gz ITDVGKRCBKIDNY-SNVBAGLBSA-N 1 0 233.319 1.409 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663010660 412370186 /nfs/dbraw/zinc/37/01/86/412370186.db2.gz KJMFZZARPMPFAQ-ZYHUDNBSSA-N 1 0 226.320 0.836 20 30 BCEDRO CN(C(=[NH2+])N[C@H]1C[C@H](O)C1(C)C)C1CC1 ZINC000186874901 172291289 /nfs/dbraw/zinc/29/12/89/172291289.db2.gz BXIURJHUQJEHOQ-IUCAKERBSA-N 1 0 211.309 0.555 20 30 BCEDRO CN(C(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@H]12)C1CC1 ZINC000190094091 172292015 /nfs/dbraw/zinc/29/20/15/172292015.db2.gz IPYCPMBXHRTNMK-GMTAPVOTSA-N 1 0 223.320 0.963 20 30 BCEDRO CN(C(=[NH2+])N[C@H]1C[C@@H](O)C1(C)C)C1CC1 ZINC000186874940 172292104 /nfs/dbraw/zinc/29/21/04/172292104.db2.gz BXIURJHUQJEHOQ-DTWKUNHWSA-N 1 0 211.309 0.555 20 30 BCEDRO CN(C(=O)CC#N)[C@H]1C[NH+]2CCC1CC2 ZINC000335568654 172300260 /nfs/dbraw/zinc/30/02/60/172300260.db2.gz UCZHHVPHIXYDRH-JTQLQIEISA-N 1 0 207.277 0.453 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cnccc1C#N ZINC000358648099 173030624 /nfs/dbraw/zinc/03/06/24/173030624.db2.gz HZSAXOLWBVNOHH-LLVKDONJSA-N 1 0 244.298 0.777 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNc1nccnc1C#N ZINC000227742345 173033880 /nfs/dbraw/zinc/03/38/80/173033880.db2.gz WLCPECILXXGUGI-SECBINFHSA-N 1 0 217.276 0.854 20 30 BCEDRO CN(c1ccc(C#N)nn1)[C@H]1CCC[N@H+](C)C1 ZINC000301886876 173045033 /nfs/dbraw/zinc/04/50/33/173045033.db2.gz QMTHENHKICVKFG-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CCN1CCO[C@H](C#N)C1 ZINC000161697048 173054256 /nfs/dbraw/zinc/05/42/56/173054256.db2.gz YJACDKBRNVSLCS-NWDGAFQWSA-N 1 0 223.320 0.695 20 30 BCEDRO C[NH+]1CCN(CCNc2cccnc2C#N)CC1 ZINC000130969627 173082943 /nfs/dbraw/zinc/08/29/43/173082943.db2.gz OMZYAWABJFXHHL-UHFFFAOYSA-N 1 0 245.330 0.613 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)C#N)C1 ZINC000334342463 173110525 /nfs/dbraw/zinc/11/05/25/173110525.db2.gz PTLAXWZJUFLFIX-SECBINFHSA-N 1 0 209.293 0.604 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3cnc(C#N)cn3)[C@H]2C1 ZINC000274783025 173134044 /nfs/dbraw/zinc/13/40/44/173134044.db2.gz WQMRRSDLICELAR-PWSUYJOCSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000175389100 173144864 /nfs/dbraw/zinc/14/48/64/173144864.db2.gz BUBOZTQYBLXVAG-SECBINFHSA-N 1 0 232.287 0.568 20 30 BCEDRO CNC(NCCOc1cccc(F)c1)=[NH+]C ZINC000264117697 173210725 /nfs/dbraw/zinc/21/07/25/173210725.db2.gz TWHIPGHIWQEFHL-UHFFFAOYSA-N 1 0 225.267 0.999 20 30 BCEDRO CNC(=O)C[NH2+]Cc1cccc(C#N)c1 ZINC000037207922 173277406 /nfs/dbraw/zinc/27/74/06/173277406.db2.gz PGWAQDFMGUQIQJ-UHFFFAOYSA-N 1 0 203.245 0.394 20 30 BCEDRO CNC(=O)C[NH2+]Cc1ccc(C#N)s1 ZINC000135495428 173277424 /nfs/dbraw/zinc/27/74/24/173277424.db2.gz HDELDTOZGLSCAH-UHFFFAOYSA-N 1 0 209.274 0.455 20 30 BCEDRO COCC[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000339931527 174282379 /nfs/dbraw/zinc/28/23/79/174282379.db2.gz ILNHMNGGHSORDJ-JTQLQIEISA-N 1 0 227.308 0.325 20 30 BCEDRO COCC[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000339931533 174282242 /nfs/dbraw/zinc/28/22/42/174282242.db2.gz ILNHMNGGHSORDJ-SNVBAGLBSA-N 1 0 227.308 0.325 20 30 BCEDRO COC[C@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370125340 174539112 /nfs/dbraw/zinc/53/91/12/174539112.db2.gz ZXIZIKGVMKQLAN-JTQLQIEISA-N 1 0 249.318 0.822 20 30 BCEDRO COc1ccc(C[NH2+]C(CO)CO)cc1C#N ZINC000087824553 175105571 /nfs/dbraw/zinc/10/55/71/175105571.db2.gz LGJDCHKWSRRFOM-UHFFFAOYSA-N 1 0 236.271 0.010 20 30 BCEDRO C[C@@H]1C[N@H+](CCOCCC#N)C[C@H]1CO ZINC000339129068 176291867 /nfs/dbraw/zinc/29/18/67/176291867.db2.gz RZAHWVJXIFRPHN-MNOVXSKESA-N 1 0 212.293 0.477 20 30 BCEDRO C[C@H](CNC(=O)c1cnn(C)c1C#N)C[NH+](C)C ZINC000341289085 176678136 /nfs/dbraw/zinc/67/81/36/176678136.db2.gz OOONYRXCLLJJED-SECBINFHSA-N 1 0 249.318 0.219 20 30 BCEDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCC#N ZINC000042428682 177198460 /nfs/dbraw/zinc/19/84/60/177198460.db2.gz VSRUVMSWMIXDNA-UWVGGRQHSA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCOCC[NH+]1CCC(O)(CO)CC1 ZINC000313683376 487646431 /nfs/dbraw/zinc/64/64/31/487646431.db2.gz PHYJPPVNKWFCSD-UHFFFAOYSA-N 1 0 215.293 0.008 20 30 BCEDRO C=CCCNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000309098976 487648699 /nfs/dbraw/zinc/64/86/99/487648699.db2.gz HYNLUYLTHCIEQC-LLVKDONJSA-N 1 0 212.293 0.305 20 30 BCEDRO C[C@H](C#N)OCCN1CCN2C(=O)OC[C@H]2C1 ZINC000496779854 226313911 /nfs/dbraw/zinc/31/39/11/226313911.db2.gz CFPKUKYBHXOXNZ-NXEZZACHSA-N 1 0 239.275 0.051 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000668329471 487651884 /nfs/dbraw/zinc/65/18/84/487651884.db2.gz XNKOUWXPAQQFFC-GXSJLCMTSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@](C)(O)C=C)CC1 ZINC000668368552 487657932 /nfs/dbraw/zinc/65/79/32/487657932.db2.gz BICPOWQQQDELSQ-ZDUSSCGKSA-N 1 0 238.331 0.690 20 30 BCEDRO C=CCCCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418103783 487683440 /nfs/dbraw/zinc/68/34/40/487683440.db2.gz WRPXQPSLEDZVDQ-SNVBAGLBSA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@H](C)C[NH2+]C ZINC000659644826 487695364 /nfs/dbraw/zinc/69/53/64/487695364.db2.gz ZPMQSGUGNLYYFP-NXEZZACHSA-N 1 0 229.324 0.221 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000682039849 487719822 /nfs/dbraw/zinc/71/98/22/487719822.db2.gz XPWLVQGYJBMSCB-NWDGAFQWSA-N 1 0 229.320 0.397 20 30 BCEDRO N#Cc1ccc(CNC[C@H]2COCC[NH2+]2)o1 ZINC000530246736 268233618 /nfs/dbraw/zinc/23/36/18/268233618.db2.gz JSFMLDYBHKKNAO-VIFPVBQESA-N 1 0 221.260 0.229 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000668423051 487729504 /nfs/dbraw/zinc/72/95/04/487729504.db2.gz NLHBCLRSFCZMEY-RYUDHWBXSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000668430177 487741867 /nfs/dbraw/zinc/74/18/67/487741867.db2.gz BPANLNOIWXUJOX-TUAOUCFPSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000668443287 487761405 /nfs/dbraw/zinc/76/14/05/487761405.db2.gz YIHRCIWQRUPSQX-NWDGAFQWSA-N 1 0 238.331 0.620 20 30 BCEDRO CN(CCC#N)C(=O)C1([NH+](C)C)CCC1 ZINC000763003670 585441101 /nfs/dbraw/zinc/44/11/01/585441101.db2.gz JREFFQCWGCKYJE-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000668457328 487781086 /nfs/dbraw/zinc/78/10/86/487781086.db2.gz DFNIQXACSXERRF-YPMHNXCESA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COCC ZINC000566119324 487792549 /nfs/dbraw/zinc/79/25/49/487792549.db2.gz YGQCEMLVQBODNH-SRVKXCTJSA-N 1 0 229.320 0.565 20 30 BCEDRO C=C(C)CC[N@H+](C)CCN1CCCS1(=O)=O ZINC000681404175 487794170 /nfs/dbraw/zinc/79/41/70/487794170.db2.gz DZJHRSNOBHYXCQ-UHFFFAOYSA-N 1 0 246.376 0.920 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)CSCC#N)C1 ZINC000773488286 585638029 /nfs/dbraw/zinc/63/80/29/585638029.db2.gz OAJSMISHCWGXHY-UHFFFAOYSA-N 1 0 227.333 0.452 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000666413428 487802693 /nfs/dbraw/zinc/80/26/93/487802693.db2.gz QDJOTHUTSCWHQK-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000666451893 487813161 /nfs/dbraw/zinc/81/31/61/487813161.db2.gz QTWXPUJORFPDCJ-MDZLAQPJSA-N 1 0 238.331 0.666 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000681604209 487822608 /nfs/dbraw/zinc/82/26/08/487822608.db2.gz QFZUOCUGNUEFDC-NSHDSACASA-N 1 0 220.276 0.175 20 30 BCEDRO C[C@@H]1CC[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000564869438 322945149 /nfs/dbraw/zinc/94/51/49/322945149.db2.gz XEQXPBAXUOCWDU-IJLUTSLNSA-N 1 0 225.336 0.581 20 30 BCEDRO CC[C@H](O)CNN=C1CCC[N@H+](C)CC1 ZINC000811653560 586563599 /nfs/dbraw/zinc/56/35/99/586563599.db2.gz MLACNJGZGUCQJT-NSHDSACASA-N 1 0 213.325 0.819 20 30 BCEDRO C#CCCCC(=O)NC1CC([NH+](C)C)C1 ZINC000816524021 586738120 /nfs/dbraw/zinc/73/81/20/586738120.db2.gz NFOSMRFKSZPZSZ-UHFFFAOYSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000676287281 487832370 /nfs/dbraw/zinc/83/23/70/487832370.db2.gz RCCQWGGISFISBD-WDEREUQCSA-N 1 0 242.319 0.024 20 30 BCEDRO C=C(C)CNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000681660448 487833948 /nfs/dbraw/zinc/83/39/48/487833948.db2.gz FTZCYZHDGJWGJK-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841922794 587985329 /nfs/dbraw/zinc/98/53/29/587985329.db2.gz RMCXWOSAUCFZMD-ZJUUUORDSA-N 1 0 209.293 0.449 20 30 BCEDRO C=CC[C@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852843279 588707726 /nfs/dbraw/zinc/70/77/26/588707726.db2.gz UVCOXHBQCRWFJD-YUMQZZPRSA-N 1 0 211.265 0.171 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC(=O)N(C)C ZINC000876560936 590215936 /nfs/dbraw/zinc/21/59/36/590215936.db2.gz GVNHXSUNCOWQNV-MRVPVSSYSA-N 1 0 247.726 0.003 20 30 BCEDRO C=C(Cl)C[C@@H](NC(=O)CC[NH3+])C(=O)OCC ZINC000877143766 590291518 /nfs/dbraw/zinc/29/15/18/590291518.db2.gz BMWVGVHWOMQAMJ-MRVPVSSYSA-N 1 0 248.710 0.526 20 30 BCEDRO C#CCC1([NH2+]CC[N+](=O)[O-])CCOCC1 ZINC000931762052 640353940 /nfs/dbraw/zinc/35/39/40/640353940.db2.gz XCVORRLSXLMLMZ-UHFFFAOYSA-N 1 0 212.249 0.425 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000595610224 487872993 /nfs/dbraw/zinc/87/29/93/487872993.db2.gz UESGZBKMYHBCKJ-SECBINFHSA-N 1 0 238.291 0.197 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000595623209 487873328 /nfs/dbraw/zinc/87/33/28/487873328.db2.gz JWYZPIAHOXGTCD-QWRGUYRKSA-N 1 0 221.304 0.748 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000668199301 487873732 /nfs/dbraw/zinc/87/37/32/487873732.db2.gz PPKCKFBHGMQGAH-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO CCOCCNC(=[NH2+])N1CCSCC1 ZINC000303772951 644843986 /nfs/dbraw/zinc/84/39/86/644843986.db2.gz DXSWSCOHBSGXFR-UHFFFAOYSA-N 1 0 217.338 0.386 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000677133349 487892703 /nfs/dbraw/zinc/89/27/03/487892703.db2.gz RTNXEYXBUMDSCD-MNOVXSKESA-N 1 0 224.304 0.222 20 30 BCEDRO COCC#CC[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000677133389 487894758 /nfs/dbraw/zinc/89/47/58/487894758.db2.gz SXZIQBCKBXDPLH-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000677133502 487895569 /nfs/dbraw/zinc/89/55/69/487895569.db2.gz ZMFRPYHNTOVPSJ-CYBMUJFWSA-N 1 0 247.342 0.934 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000666913224 487903124 /nfs/dbraw/zinc/90/31/24/487903124.db2.gz FYZIQRBACKVUEM-GXSJLCMTSA-N 1 0 224.304 0.134 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661700778 487907459 /nfs/dbraw/zinc/90/74/59/487907459.db2.gz KMLMTIHXMRXUBX-GVXVVHGQSA-N 1 0 238.331 0.645 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000682220948 487928387 /nfs/dbraw/zinc/92/83/87/487928387.db2.gz QVIVFRNEIQQAEK-NEPJUHHUSA-N 1 0 211.305 0.993 20 30 BCEDRO COCC#CC[N@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000682224887 487929489 /nfs/dbraw/zinc/92/94/89/487929489.db2.gz PLUNHFRZIIJJKV-HAQNSBGRSA-N 1 0 211.305 0.872 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000165220175 487936380 /nfs/dbraw/zinc/93/63/80/487936380.db2.gz NVRHQPIKNCYSER-MRVPVSSYSA-N 1 0 205.261 0.845 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H](C)[NH+](C)C ZINC000147013298 487939799 /nfs/dbraw/zinc/93/97/99/487939799.db2.gz CBKLNVLGMHZPIX-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCCS(=O)(=O)N(C)CC(C)(C)[NH3+] ZINC000658388698 487940564 /nfs/dbraw/zinc/94/05/64/487940564.db2.gz BFHCFXVTECGWBG-UHFFFAOYSA-N 1 0 220.338 0.561 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000153190946 322988901 /nfs/dbraw/zinc/98/89/01/322988901.db2.gz HBAVFVSPVZYUQR-QJPTWQEYSA-N 1 0 220.316 0.856 20 30 BCEDRO COc1cc(C#N)ccc1NC(=O)NCC[NH3+] ZINC000561018025 322994162 /nfs/dbraw/zinc/99/41/62/322994162.db2.gz PSTRVURCSGEMRI-UHFFFAOYSA-N 1 0 234.259 0.647 20 30 BCEDRO C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C[N@@H+]1C1CC1 ZINC000566483805 323001492 /nfs/dbraw/zinc/00/14/92/323001492.db2.gz WWHPZAGJTMIADW-VHSXEESVSA-N 1 0 243.314 0.807 20 30 BCEDRO C#CCNC(=O)[C@H](C)SCC[NH+](C)C ZINC000157764568 323011301 /nfs/dbraw/zinc/01/13/01/323011301.db2.gz GVJQBDVYWVOGAL-VIFPVBQESA-N 1 0 214.334 0.419 20 30 BCEDRO C[C@@H]1CN(c2cc(C#N)ncn2)[C@@H](C)C[N@@H+]1C ZINC000562419603 323019311 /nfs/dbraw/zinc/01/93/11/323019311.db2.gz NBBQTNICAYYNIM-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO CO[C@@H](C)CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000569803211 323041040 /nfs/dbraw/zinc/04/10/40/323041040.db2.gz HSEAQNFFFNCAIZ-RYUDHWBXSA-N 1 0 243.351 0.207 20 30 BCEDRO CO[C@@H](C)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000569803210 323041075 /nfs/dbraw/zinc/04/10/75/323041075.db2.gz HSEAQNFFFNCAIZ-NWDGAFQWSA-N 1 0 243.351 0.207 20 30 BCEDRO CN(CCC[NH3+])C(=O)NCC1(C#N)CC1 ZINC000569825558 323041971 /nfs/dbraw/zinc/04/19/71/323041971.db2.gz KURRUFVDXBAVQR-UHFFFAOYSA-N 1 0 210.281 0.280 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000569866041 323043188 /nfs/dbraw/zinc/04/31/88/323043188.db2.gz ZXPPWELLPYUIIM-MNOVXSKESA-N 1 0 223.320 0.993 20 30 BCEDRO N#CCCNCCC[N@H+]1CCC[C@H](C(N)=O)C1 ZINC000569960712 323045911 /nfs/dbraw/zinc/04/59/11/323045911.db2.gz MBKAXDUKOFDUJT-NSHDSACASA-N 1 0 238.335 0.077 20 30 BCEDRO C[C@@H]([NH3+])[C@@H](C)NS(=O)(=O)c1ccc(C#N)o1 ZINC000570108481 323050222 /nfs/dbraw/zinc/05/02/22/323050222.db2.gz YTKSUWMYTBWCSC-RNFRBKRXSA-N 1 0 243.288 0.165 20 30 BCEDRO CC1(C(=O)NCc2ccc(CC#N)cc2)C[NH2+]C1 ZINC000572765822 323062379 /nfs/dbraw/zinc/06/23/79/323062379.db2.gz FTLFWOHQVCCBPM-UHFFFAOYSA-N 1 0 243.310 0.978 20 30 BCEDRO CC[C@H](C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000570581609 323063896 /nfs/dbraw/zinc/06/38/96/323063896.db2.gz KSOQUNJOSRZROJ-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000570843947 323072195 /nfs/dbraw/zinc/07/21/95/323072195.db2.gz WIFYMVLTSMKSNG-NXEZZACHSA-N 1 0 241.335 0.311 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000563144856 323095359 /nfs/dbraw/zinc/09/53/59/323095359.db2.gz YFHABUIYYLJIBE-CQSZACIVSA-N 1 0 249.310 0.149 20 30 BCEDRO COC(=O)C1(O)CC[NH+]([C@@H](C)CCC#N)CC1 ZINC000563212182 323102233 /nfs/dbraw/zinc/10/22/33/323102233.db2.gz UUSBTIILDPWPFK-JTQLQIEISA-N 1 0 240.303 0.679 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000563221027 323104495 /nfs/dbraw/zinc/10/44/95/323104495.db2.gz QLDPUZZABBKWQK-VXGBXAGGSA-N 1 0 223.320 0.695 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000668574903 487957433 /nfs/dbraw/zinc/95/74/33/487957433.db2.gz DQCNVSQAIMOYSU-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@H]([NH3+])C[C@H]2C)C1=O ZINC000563349502 323119986 /nfs/dbraw/zinc/11/99/86/323119986.db2.gz RTGZPOZMNVVLQC-UTUOFQBUSA-N 1 0 237.347 0.585 20 30 BCEDRO CC1CC[NH+](C[C@H](O)CNCCC#N)CC1 ZINC000571198904 323137963 /nfs/dbraw/zinc/13/79/63/323137963.db2.gz FMITUBOGXWHPHP-GFCCVEGCSA-N 1 0 225.336 0.582 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000571397222 323143545 /nfs/dbraw/zinc/14/35/45/323143545.db2.gz XMUHAJCDAFEFEG-RNJOBUHISA-N 1 0 237.347 0.581 20 30 BCEDRO CN(c1cncc(C#N)n1)C1CC[NH2+]CC1 ZINC000571562636 323148012 /nfs/dbraw/zinc/14/80/12/323148012.db2.gz SALMURSJMUXFIC-UHFFFAOYSA-N 1 0 217.276 0.536 20 30 BCEDRO C#CCNC(NCc1c(C)nn(C)c1C)=[NH+]C ZINC000262685165 323150219 /nfs/dbraw/zinc/15/02/19/323150219.db2.gz ACTYGKLOCWRZDH-UHFFFAOYSA-N 1 0 233.319 0.335 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000305162119 323167881 /nfs/dbraw/zinc/16/78/81/323167881.db2.gz FUPZTOWHBKJVBS-SRVKXCTJSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000668574910 487957493 /nfs/dbraw/zinc/95/74/93/487957493.db2.gz DQCNVSQAIMOYSU-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO N#CCSCC(=O)NCC[NH+]1CCCC1 ZINC000041776701 323214767 /nfs/dbraw/zinc/21/47/67/323214767.db2.gz YQKSNYKWOJVDAQ-UHFFFAOYSA-N 1 0 227.333 0.455 20 30 BCEDRO C[NH+](C)CC(C)(C)CNC(=O)CSCC#N ZINC000041758082 323214890 /nfs/dbraw/zinc/21/48/90/323214890.db2.gz HWUUWSVMIHEEQF-UHFFFAOYSA-N 1 0 243.376 0.947 20 30 BCEDRO C[N@@H+]1CC[C@H](CNc2ccnc(C#N)n2)C1 ZINC000309391417 323371297 /nfs/dbraw/zinc/37/12/97/323371297.db2.gz SGNWZGIJRFROLB-SECBINFHSA-N 1 0 217.276 0.712 20 30 BCEDRO C=C(C)[C@H](CO)N1CCN(C(C)=O)CC1 ZINC000677047350 487958035 /nfs/dbraw/zinc/95/80/35/487958035.db2.gz WQFJCLCDFXFAAO-NSHDSACASA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(C)[C@H](CO)N1CCN(c2ncccn2)CC1 ZINC000677047390 487957921 /nfs/dbraw/zinc/95/79/21/487957921.db2.gz YLKABYVKVFLDRB-LBPRGKRZSA-N 1 0 248.330 0.536 20 30 BCEDRO C=C(C)[C@H](CO)N1CCN(C(=O)N(C)C)CC1 ZINC000677046695 487957976 /nfs/dbraw/zinc/95/79/76/487957976.db2.gz GSOPBIOJNQOONN-NSHDSACASA-N 1 0 241.335 0.223 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000572236078 323576074 /nfs/dbraw/zinc/57/60/74/323576074.db2.gz VKSAYUUHMYRLCI-VWYCJHECSA-N 1 0 247.360 0.600 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000321066475 323600445 /nfs/dbraw/zinc/60/04/45/323600445.db2.gz ZDORAYIOOOFGRG-HTQZYQBOSA-N 1 0 227.226 0.826 20 30 BCEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC ZINC000121450219 324013622 /nfs/dbraw/zinc/01/36/22/324013622.db2.gz FOSYOAJRFWYLTQ-QMMMGPOBSA-N 1 0 213.281 0.338 20 30 BCEDRO Cc1nn(CC[C@H]2CC[NH2+]C2)c(N)c1C#N ZINC000572475086 324114391 /nfs/dbraw/zinc/11/43/91/324114391.db2.gz VEYCGVJFGMUAPI-SECBINFHSA-N 1 0 219.292 0.645 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000491813968 324162182 /nfs/dbraw/zinc/16/21/82/324162182.db2.gz LTKOHBYAVYMMGX-WOPDTQHZSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CC[N@@H+](C)CCN1C[C@@H](C)O[C@@H](C)C1 ZINC000195312818 324202147 /nfs/dbraw/zinc/20/21/47/324202147.db2.gz KKYDCKAPNOGSCK-TXEJJXNPSA-N 1 0 210.321 0.661 20 30 BCEDRO C=CCCn1cc(CN(CC)CCO)nn1 ZINC000653543278 487962793 /nfs/dbraw/zinc/96/27/93/487962793.db2.gz IXDOXWJLSBKXIB-UHFFFAOYSA-N 1 0 224.308 0.668 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(CC)CC#N)CC1 ZINC000124137991 324610592 /nfs/dbraw/zinc/61/05/92/324610592.db2.gz XMTPVNHXWQXJQD-UHFFFAOYSA-N 1 0 233.315 0.704 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000127396048 324765392 /nfs/dbraw/zinc/76/53/92/324765392.db2.gz NRXLVUBKHPJITQ-GARJFASQSA-N 1 0 224.304 0.139 20 30 BCEDRO CC#CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000542673172 325040904 /nfs/dbraw/zinc/04/09/04/325040904.db2.gz JCGQTOHXAZHYCR-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C[C@H](C#N)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000543803460 325114721 /nfs/dbraw/zinc/11/47/21/325114721.db2.gz JOSCWNNXJMBHRV-NXEZZACHSA-N 1 0 224.308 0.539 20 30 BCEDRO N#CCC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000543811726 325115440 /nfs/dbraw/zinc/11/54/40/325115440.db2.gz WFKLINIYXMFFSQ-ZDUSSCGKSA-N 1 0 248.330 0.870 20 30 BCEDRO C=CCC[NH+]1CCN(CC(=O)NC(C)C)CC1 ZINC000132373946 325213282 /nfs/dbraw/zinc/21/32/82/325213282.db2.gz OPROWLIWIDDPPB-UHFFFAOYSA-N 1 0 239.363 0.705 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](C)COC)C1=O ZINC000545992547 325255295 /nfs/dbraw/zinc/25/52/95/325255295.db2.gz FJZZIDQGDSGNID-NWDGAFQWSA-N 1 0 240.347 0.988 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@@H]2CCC[C@H]21 ZINC000075769310 325311486 /nfs/dbraw/zinc/31/14/86/325311486.db2.gz JYMYVKNWMIPDAV-WDEREUQCSA-N 1 0 221.304 0.891 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)CC[C@H](C)O ZINC000075781768 325312135 /nfs/dbraw/zinc/31/21/35/325312135.db2.gz LTBITJBDNLTZOV-NSHDSACASA-N 1 0 241.335 0.451 20 30 BCEDRO C=CCCC[N@@H+](C)CCCS(N)(=O)=O ZINC000076737594 325354179 /nfs/dbraw/zinc/35/41/79/325354179.db2.gz BNRKRGUZUNKJJL-UHFFFAOYSA-N 1 0 220.338 0.563 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CCCNS(C)(=O)=O ZINC000134911693 325382580 /nfs/dbraw/zinc/38/25/80/325382580.db2.gz KMPHISMKZKGFED-JTQLQIEISA-N 1 0 234.365 0.870 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)C1(C#N)CCC1 ZINC000134934211 325383364 /nfs/dbraw/zinc/38/33/64/325383364.db2.gz UYCMEDDXZRDOJA-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NC1CC[NH+](C)CC1 ZINC000081569108 325507495 /nfs/dbraw/zinc/50/74/95/325507495.db2.gz RDZIWEOKYARIIR-UHFFFAOYSA-N 1 0 246.314 0.721 20 30 BCEDRO Cc1cc(C#N)cnc1C(=O)NCCC[NH+](C)C ZINC000554934170 325740635 /nfs/dbraw/zinc/74/06/35/325740635.db2.gz WHMXMGLABPIMTE-UHFFFAOYSA-N 1 0 246.314 0.943 20 30 BCEDRO N#Cc1cncc(N2CC[NH+]3CCC2CC3)n1 ZINC000566149206 326003106 /nfs/dbraw/zinc/00/31/06/326003106.db2.gz MMQXHFWHLLWZOQ-UHFFFAOYSA-N 1 0 229.287 0.633 20 30 BCEDRO CC(=O)NCC[N@@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000566186087 326008450 /nfs/dbraw/zinc/00/84/50/326008450.db2.gz HCTWUOOJNHLZOD-MNOVXSKESA-N 1 0 209.293 0.747 20 30 BCEDRO C[NH+](C)[C@H]1CN(CC2(C#N)CCC2)C[C@@H]1O ZINC000566426987 326044920 /nfs/dbraw/zinc/04/49/20/326044920.db2.gz ZKYBLNYMOPIRPU-QWRGUYRKSA-N 1 0 223.320 0.287 20 30 BCEDRO C=CCCC[C@@H](C)[NH2+]CCC(=O)NC(N)=O ZINC000566909819 326092902 /nfs/dbraw/zinc/09/29/02/326092902.db2.gz PVYOWECKYAXZNN-SECBINFHSA-N 1 0 227.308 0.906 20 30 BCEDRO C=CCN(CC=C)C[C@H](O)C[N@@H+](C)CC ZINC000567211925 326139224 /nfs/dbraw/zinc/13/92/24/326139224.db2.gz WKKMZWGNILVTJE-GFCCVEGCSA-N 1 0 212.337 0.973 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)NCC1(C#N)CC1 ZINC000567257424 326151316 /nfs/dbraw/zinc/15/13/16/326151316.db2.gz UYIRLDLGWWWYIE-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@H](C#N)CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000567632068 326235239 /nfs/dbraw/zinc/23/52/39/326235239.db2.gz OUDZCVJAAXWSNI-MNOVXSKESA-N 1 0 238.335 0.882 20 30 BCEDRO CC[NH+](CC)CCOCCNCCC#N ZINC000567711917 326249737 /nfs/dbraw/zinc/24/97/37/326249737.db2.gz VHCFZTRZAAGDON-UHFFFAOYSA-N 1 0 213.325 0.848 20 30 BCEDRO CC#CCN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000568214254 326327619 /nfs/dbraw/zinc/32/76/19/326327619.db2.gz RWIHWBIPQAFHOV-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CC12CC2 ZINC000568255564 326335824 /nfs/dbraw/zinc/33/58/24/326335824.db2.gz NSYJZBORQLHNOU-RYUDHWBXSA-N 1 0 237.347 0.582 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000568391930 326353612 /nfs/dbraw/zinc/35/36/12/326353612.db2.gz VQSDSMRSLPJUPU-AAEUAGOBSA-N 1 0 242.363 0.216 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000568391933 326353681 /nfs/dbraw/zinc/35/36/81/326353681.db2.gz VQSDSMRSLPJUPU-YPMHNXCESA-N 1 0 242.363 0.216 20 30 BCEDRO C=CCOCC(=O)N1CCC2(CC[NH2+]2)CC1 ZINC000568510640 326361470 /nfs/dbraw/zinc/36/14/70/326361470.db2.gz YEDZQMDYWPFMEN-UHFFFAOYSA-N 1 0 224.304 0.544 20 30 BCEDRO N#CC1(Cn2cnc3c(c2=O)CC[NH2+]CC3)CC1 ZINC000569119338 326391466 /nfs/dbraw/zinc/39/14/66/326391466.db2.gz XIDKJRXEBMAGET-UHFFFAOYSA-N 1 0 244.298 0.235 20 30 BCEDRO C=CCCCCCNC(=O)COC1C[NH2+]C1 ZINC000572985019 326422918 /nfs/dbraw/zinc/42/29/18/326422918.db2.gz VNJDSFCBOHFBLJ-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCOCCCC(=O)N(C)CCC[NH3+] ZINC000158800804 487976639 /nfs/dbraw/zinc/97/66/39/487976639.db2.gz MADGIALNCJRESN-UHFFFAOYSA-N 1 0 214.309 0.776 20 30 BCEDRO C=CCOCCNC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000309580324 487987332 /nfs/dbraw/zinc/98/73/32/487987332.db2.gz QDEMULQYVXZQKM-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000667376295 487988592 /nfs/dbraw/zinc/98/85/92/487988592.db2.gz NWKDLUGIYRJDDK-QWRGUYRKSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@]2(CC)CCOC2)C1=O ZINC000685004855 487990056 /nfs/dbraw/zinc/99/00/56/487990056.db2.gz OSCIAWYCJCHHGK-AAEUAGOBSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCOCC(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000677176902 487992097 /nfs/dbraw/zinc/99/20/97/487992097.db2.gz SLPKEYHHEOQJGW-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](COCC)C1 ZINC000491068674 488029605 /nfs/dbraw/zinc/02/96/05/488029605.db2.gz PTEDAYNXIJFUTD-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000491068312 488029960 /nfs/dbraw/zinc/02/99/60/488029960.db2.gz NUVANURTZPJTMA-VXGBXAGGSA-N 1 0 238.331 0.361 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000491508042 488033512 /nfs/dbraw/zinc/03/35/12/488033512.db2.gz YEWHEBFVMVNUBO-UONOGXRCSA-N 1 0 233.311 0.921 20 30 BCEDRO C=CCCCN(C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000220244850 488033989 /nfs/dbraw/zinc/03/39/89/488033989.db2.gz AHGMALVMNHKTCA-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)C[C@H](O)CO[C@@H](C)COC ZINC000491788991 488040283 /nfs/dbraw/zinc/04/02/83/488040283.db2.gz UARGDWYVQWNJAT-RYUDHWBXSA-N 1 0 243.347 0.742 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000667562958 488047264 /nfs/dbraw/zinc/04/72/64/488047264.db2.gz PTLMRAJSTADMQZ-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000401716723 488052847 /nfs/dbraw/zinc/05/28/47/488052847.db2.gz HLRSDYCOPDKADF-ZCFIWIBFSA-N 1 0 210.199 0.958 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000667608294 488058438 /nfs/dbraw/zinc/05/84/38/488058438.db2.gz BSICWPRMBJCSNS-VXGBXAGGSA-N 1 0 238.331 0.620 20 30 BCEDRO N#Cc1ccc(N2CC[NH+]3CCC2CC3)nc1N ZINC000515671361 488066479 /nfs/dbraw/zinc/06/64/79/488066479.db2.gz HDFREANYKZODKY-UHFFFAOYSA-N 1 0 243.314 0.820 20 30 BCEDRO C=CCCS(=O)(=O)NCC[NH2+]C1CC1 ZINC000236654582 488080351 /nfs/dbraw/zinc/08/03/51/488080351.db2.gz KOWRLTZHVQGNTF-UHFFFAOYSA-N 1 0 218.322 0.234 20 30 BCEDRO C=C(C)[C@@H](CO)N1CC[NH+](C(C)C)CC1 ZINC000677603223 488083544 /nfs/dbraw/zinc/08/35/44/488083544.db2.gz TUWMTCSHIKGBSK-GFCCVEGCSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CC[N@H+](CCOC)CCn1ccccc1=O ZINC000683040707 488102852 /nfs/dbraw/zinc/10/28/52/488102852.db2.gz FPZDURXCBAXECQ-UHFFFAOYSA-N 1 0 236.315 0.983 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000668678168 488103419 /nfs/dbraw/zinc/10/34/19/488103419.db2.gz GCZMUMIDWKFXMC-ZDUSSCGKSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000683096878 488105201 /nfs/dbraw/zinc/10/52/01/488105201.db2.gz BOELNEHXDLEWNX-MXWKQRLJSA-N 1 0 215.293 0.269 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000668690582 488120731 /nfs/dbraw/zinc/12/07/31/488120731.db2.gz WUBVNBNIQQERQY-ZYHUDNBSSA-N 1 0 228.336 0.770 20 30 BCEDRO CC[N@H+](CC#CCOC)C[C@H]1CCOC1 ZINC000677817758 488131523 /nfs/dbraw/zinc/13/15/23/488131523.db2.gz BDQLTZDJMHQXGI-GFCCVEGCSA-N 1 0 211.305 0.995 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000677818284 488132961 /nfs/dbraw/zinc/13/29/61/488132961.db2.gz ILQMKSMERSGVAU-LBPRGKRZSA-N 1 0 238.331 0.614 20 30 BCEDRO C=CCCCNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000669573436 487544980 /nfs/dbraw/zinc/54/49/80/487544980.db2.gz KTAIEOSFHKLDRH-MNOVXSKESA-N 1 0 241.335 0.710 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cccc(C(=O)NC)c1 ZINC000662165309 488140917 /nfs/dbraw/zinc/14/09/17/488140917.db2.gz BAWHEPOELRJDTN-GFCCVEGCSA-N 1 0 234.299 0.683 20 30 BCEDRO C=CCOCCNC(=O)C[NH2+]CC1CC1 ZINC000308775912 487471536 /nfs/dbraw/zinc/47/15/36/487471536.db2.gz AAOLWHGVLRORSO-UHFFFAOYSA-N 1 0 212.293 0.305 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCC[NH2+]C1CC1 ZINC000237572027 487484300 /nfs/dbraw/zinc/48/43/00/487484300.db2.gz QEWDVAYHAIREJG-JTQLQIEISA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCOCCNC(=O)CC[C@H]1CC[NH2+]C1 ZINC000304247657 487483388 /nfs/dbraw/zinc/48/33/88/487483388.db2.gz PWZYSLMMIYNBDT-NSHDSACASA-N 1 0 226.320 0.695 20 30 BCEDRO C=CCCOCCNCc1ncnn1C ZINC000231819571 487476983 /nfs/dbraw/zinc/47/69/83/487476983.db2.gz VCNBLTCWVHEURO-UHFFFAOYSA-N 1 0 210.281 0.497 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2COC)C1=O ZINC000685001569 487488840 /nfs/dbraw/zinc/48/88/40/487488840.db2.gz CIQPWUFOZPOLOQ-NEPJUHHUSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2COC)C1=O ZINC000685001570 487488882 /nfs/dbraw/zinc/48/88/82/487488882.db2.gz CIQPWUFOZPOLOQ-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC(n2ccnc2)C1 ZINC000668759562 487492970 /nfs/dbraw/zinc/49/29/70/487492970.db2.gz JTKZJQAXUGWFMX-NSHDSACASA-N 1 0 221.260 0.203 20 30 BCEDRO COCC#CC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000677817585 487507665 /nfs/dbraw/zinc/50/76/65/487507665.db2.gz NXRCDXUMZZLRHA-UHFFFAOYSA-N 1 0 245.322 0.756 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000677818279 487508935 /nfs/dbraw/zinc/50/89/35/487508935.db2.gz YKIROVTYRMLMAY-GFCCVEGCSA-N 1 0 227.304 0.110 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H]1C[C@H](C)O ZINC000677819674 487515468 /nfs/dbraw/zinc/51/54/68/487515468.db2.gz KICNLNGPXPFWDF-NWDGAFQWSA-N 1 0 211.305 0.872 20 30 BCEDRO COCC#CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000677820152 488135409 /nfs/dbraw/zinc/13/54/09/488135409.db2.gz HOSODPDRBPBMSH-UHFFFAOYSA-N 1 0 245.326 0.853 20 30 BCEDRO CC[N@H+](C)C[C@H]1CCN(CC#CCOC)C1 ZINC000677820731 488137404 /nfs/dbraw/zinc/13/74/04/488137404.db2.gz UJECUYRUVLTGQQ-CYBMUJFWSA-N 1 0 224.348 0.910 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000668703118 488139920 /nfs/dbraw/zinc/13/99/20/488139920.db2.gz XQUFDOFKXOKZED-ONGXEEELSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCOCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000379490985 488140156 /nfs/dbraw/zinc/14/01/56/488140156.db2.gz QEZYAYZFTARPMQ-BDAKNGLRSA-N 1 0 200.282 0.289 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000668008318 488183099 /nfs/dbraw/zinc/18/30/99/488183099.db2.gz TYJQHXTTXDNEMP-GHMZBOCLSA-N 1 0 224.304 0.230 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000668022426 488188543 /nfs/dbraw/zinc/18/85/43/488188543.db2.gz GKQFSIHZVCDKQH-CMPLNLGQSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000668743248 488199118 /nfs/dbraw/zinc/19/91/18/488199118.db2.gz RWXJXLVDEKRXRB-JQWIXIFHSA-N 1 0 226.320 0.334 20 30 BCEDRO C=CCOCCNC(=O)CCC[NH2+]C ZINC000308516906 488205924 /nfs/dbraw/zinc/20/59/24/488205924.db2.gz FPPNDWDMGVXKDW-UHFFFAOYSA-N 1 0 200.282 0.305 20 30 BCEDRO COCC#CCN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000678173022 488212743 /nfs/dbraw/zinc/21/27/43/488212743.db2.gz QZBNXNUNFBEMAA-RYUDHWBXSA-N 1 0 210.321 0.661 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000668166448 488212919 /nfs/dbraw/zinc/21/29/19/488212919.db2.gz LHXRGTVFRWBKOO-ZJUUUORDSA-N 1 0 209.293 0.566 20 30 BCEDRO C=CCOCCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000669555297 488216581 /nfs/dbraw/zinc/21/65/81/488216581.db2.gz OIDRKFIABCRIDN-UHFFFAOYSA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000669555427 488216601 /nfs/dbraw/zinc/21/66/01/488216601.db2.gz XUKBTERYKSIJKZ-MNOVXSKESA-N 1 0 241.335 0.581 20 30 BCEDRO C=CCOCCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000669555301 488216625 /nfs/dbraw/zinc/21/66/25/488216625.db2.gz OXCUYEQOXCMTNU-WDEREUQCSA-N 1 0 241.335 0.581 20 30 BCEDRO C=CCOCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000669555451 488216687 /nfs/dbraw/zinc/21/66/87/488216687.db2.gz ZGXWGVCHGWJTHF-RKDXNWHRSA-N 1 0 215.297 0.224 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000684202931 488275926 /nfs/dbraw/zinc/27/59/26/488275926.db2.gz ZHSUESJHOGCZTA-QWRGUYRKSA-N 1 0 236.319 0.451 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000684202929 488276061 /nfs/dbraw/zinc/27/60/61/488276061.db2.gz ZHSUESJHOGCZTA-GHMZBOCLSA-N 1 0 236.319 0.451 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCCN(CC)CC1 ZINC000678714779 488276873 /nfs/dbraw/zinc/27/68/73/488276873.db2.gz OYRRIBIGTBOQOU-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@](C)(O)CC1 ZINC000684212867 488278205 /nfs/dbraw/zinc/27/82/05/488278205.db2.gz NRDGUDCKLSENDA-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO COCC#CC[N@H+](C)CCCn1ccnc1 ZINC000678721511 488278577 /nfs/dbraw/zinc/27/85/77/488278577.db2.gz GHAXACFOOROICU-UHFFFAOYSA-N 1 0 221.304 0.855 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000684628505 488335931 /nfs/dbraw/zinc/33/59/31/488335931.db2.gz MAOCOMMYSVOBMA-JQWIXIFHSA-N 1 0 208.305 0.986 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000684628588 488335937 /nfs/dbraw/zinc/33/59/37/488335937.db2.gz NMCASZMEDCZVKC-MWLCHTKSSA-N 1 0 212.293 0.121 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000684628508 488335991 /nfs/dbraw/zinc/33/59/91/488335991.db2.gz MAOCOMMYSVOBMA-ZYHUDNBSSA-N 1 0 208.305 0.986 20 30 BCEDRO C=CCOCC[NH2+]Cc1cnn(CCOC)c1 ZINC000679486867 488354481 /nfs/dbraw/zinc/35/44/81/488354481.db2.gz UJZVCVLZEQDUIQ-UHFFFAOYSA-N 1 0 239.319 0.822 20 30 BCEDRO C=CCOCCNC(=O)C[NH+](CC)CC ZINC000679586594 488359724 /nfs/dbraw/zinc/35/97/24/488359724.db2.gz RTRUJOMUMVARGI-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000668314201 490086309 /nfs/dbraw/zinc/08/63/09/490086309.db2.gz JTIVURGORQSXIU-ZDUSSCGKSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000121487552 490093900 /nfs/dbraw/zinc/09/39/00/490093900.db2.gz ILFOXKAMZXXHJM-FRRDWIJNSA-N 1 0 242.363 0.574 20 30 BCEDRO C=C(CC)CNC(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000456812609 490114545 /nfs/dbraw/zinc/11/45/45/490114545.db2.gz NQPPTWCOHZFQSB-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(C#C)cc1 ZINC000491786451 490118681 /nfs/dbraw/zinc/11/86/81/490118681.db2.gz URROHOIFTRKSQG-UHFFFAOYSA-N 1 0 240.306 0.897 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCC[N@@H+](C)CCOC ZINC000491793136 490119499 /nfs/dbraw/zinc/11/94/99/490119499.db2.gz JIKWLHGWWYIYCZ-NSHDSACASA-N 1 0 241.335 0.228 20 30 BCEDRO OC[C@H]1CCN(CC#Cc2ccccc2)C[C@@H]1O ZINC000676560757 490124321 /nfs/dbraw/zinc/12/43/21/490124321.db2.gz OMRRIAGTHLEYRK-CABCVRRESA-N 1 0 245.322 0.713 20 30 BCEDRO COCC#CC[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000653698999 490198750 /nfs/dbraw/zinc/19/87/50/490198750.db2.gz QRJIHKAYIUOTKW-NSHDSACASA-N 1 0 224.304 0.189 20 30 BCEDRO COCC#CCN1CC[NH+](C2CC2)CC1 ZINC000677133082 490353628 /nfs/dbraw/zinc/35/36/28/490353628.db2.gz GQJGZHQLVLHNSK-UHFFFAOYSA-N 1 0 208.305 0.416 20 30 BCEDRO COCC#CCN1CC[NH+](CC2CC2)CC1 ZINC000677133044 490353580 /nfs/dbraw/zinc/35/35/80/490353580.db2.gz FGDSZQGIITUYLA-UHFFFAOYSA-N 1 0 222.332 0.664 20 30 BCEDRO C=CCCNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000659563157 490356523 /nfs/dbraw/zinc/35/65/23/490356523.db2.gz PZIIRMOPWCSVMK-ZJUUUORDSA-N 1 0 227.308 0.320 20 30 BCEDRO C=CCCC(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000126508962 490499221 /nfs/dbraw/zinc/49/92/21/490499221.db2.gz FSDNQMHATPUKJF-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C[NH+]=C(NCc1nccn1C)N[C@@H]1C[C@@H]1C ZINC000083901116 490562921 /nfs/dbraw/zinc/56/29/21/490562921.db2.gz GFFCSVKTABLPTD-DTWKUNHWSA-N 1 0 221.308 0.494 20 30 BCEDRO C=C[C@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000128431680 490578702 /nfs/dbraw/zinc/57/87/02/490578702.db2.gz PQPLULMVTDORND-VIFPVBQESA-N 1 0 211.309 0.954 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H]([NH3+])C(C)C)C(C)C ZINC000491726413 491080187 /nfs/dbraw/zinc/08/01/87/491080187.db2.gz DJNWQAFNEIWJPM-QWRGUYRKSA-N 1 0 225.336 0.927 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CCO)C2CC2)C1=O ZINC000281946547 491120812 /nfs/dbraw/zinc/12/08/12/491120812.db2.gz JEZZTTWMQUFWSY-NSHDSACASA-N 1 0 224.304 0.230 20 30 BCEDRO C#CCC[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000363466111 491121074 /nfs/dbraw/zinc/12/10/74/491121074.db2.gz BSUCEXNQFCDPBJ-ZDUSSCGKSA-N 1 0 249.314 0.320 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](O)[C@H](F)C1 ZINC000890679729 582501709 /nfs/dbraw/zinc/50/17/09/582501709.db2.gz FICIZJIZWBRGNX-GHMZBOCLSA-N 1 0 244.310 0.426 20 30 BCEDRO C=C(CO)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000804777709 582555726 /nfs/dbraw/zinc/55/57/26/582555726.db2.gz DXDWNFAJYRWERE-NSHDSACASA-N 1 0 226.320 0.526 20 30 BCEDRO C=C[C@H](C)ONC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000845627033 582620498 /nfs/dbraw/zinc/62/04/98/582620498.db2.gz MSYADYRPUUOXIW-ONGXEEELSA-N 1 0 245.323 0.104 20 30 BCEDRO C=CC(C)(C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000891261621 582643853 /nfs/dbraw/zinc/64/38/53/582643853.db2.gz ICNZTJKRYUNSOJ-UHFFFAOYSA-N 1 0 239.363 0.561 20 30 BCEDRO CCOc1ncccc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262677896 535588425 /nfs/dbraw/zinc/58/84/25/535588425.db2.gz USJQNFCMDWRODF-SECBINFHSA-N 1 0 234.303 0.918 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C(N)=O)C(C)C ZINC000891305810 582657971 /nfs/dbraw/zinc/65/79/71/582657971.db2.gz YYWPRYFYNCSGPW-JTQLQIEISA-N 1 0 241.335 0.120 20 30 BCEDRO CC(C)([NH3+])CCNC(=O)NCC1(C#N)CC1 ZINC000891874597 582733459 /nfs/dbraw/zinc/73/34/59/582733459.db2.gz HEMVYNAGJJBWOO-UHFFFAOYSA-N 1 0 224.308 0.717 20 30 BCEDRO C[NH+](C)[C@]1(CNC(=O)CC#N)CCSC1 ZINC000356930366 536140352 /nfs/dbraw/zinc/14/03/52/536140352.db2.gz GXROUEVJVBRDJE-JTQLQIEISA-N 1 0 227.333 0.454 20 30 BCEDRO C=CC[C@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000122476302 534329885 /nfs/dbraw/zinc/32/98/85/534329885.db2.gz RKBLZBZLQLWUJG-JTQLQIEISA-N 1 0 226.320 0.823 20 30 BCEDRO CNC(=[NH2+])NCc1cccnc1OCC(F)F ZINC000160329851 536304927 /nfs/dbraw/zinc/30/49/27/536304927.db2.gz NIGJVHOOPCURHT-UHFFFAOYSA-N 1 0 244.245 0.760 20 30 BCEDRO CNC(=[NH2+])NCc1cccc(OC)c1OC ZINC000264069249 536304937 /nfs/dbraw/zinc/30/49/37/536304937.db2.gz FXKWWQHXAFLNEV-UHFFFAOYSA-N 1 0 223.276 0.738 20 30 BCEDRO CNC(=[NH2+])NCc1ccc2c(n1)CCCC2 ZINC000262891323 536304946 /nfs/dbraw/zinc/30/49/46/536304946.db2.gz GZCLJHXKPYHUBL-UHFFFAOYSA-N 1 0 218.304 0.995 20 30 BCEDRO CNC(=[NH2+])NCc1ccnc(N2CCCC2)c1 ZINC000264064727 536305007 /nfs/dbraw/zinc/30/50/07/536305007.db2.gz DQNFYYXBNIZUGP-UHFFFAOYSA-N 1 0 233.319 0.716 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(OC(C)C)nc1 ZINC000264099042 536305382 /nfs/dbraw/zinc/30/53/82/536305382.db2.gz NPXAFQCDHNTJSL-UHFFFAOYSA-N 1 0 222.292 0.903 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000358620057 534384569 /nfs/dbraw/zinc/38/45/69/534384569.db2.gz JYRMWXSOHDHXEI-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000358611459 534385611 /nfs/dbraw/zinc/38/56/11/534385611.db2.gz HHEVZDGMVXNYTI-SNVBAGLBSA-N 1 0 232.349 0.706 20 30 BCEDRO C=C(CC)C[NH+]1CCN(CC(=O)OC)CC1 ZINC000355235100 534391715 /nfs/dbraw/zinc/39/17/15/534391715.db2.gz GCBLAVBJUYTWPJ-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000261529651 534446991 /nfs/dbraw/zinc/44/69/91/534446991.db2.gz BGIJISYLVNVOKO-JTQLQIEISA-N 1 0 232.711 0.481 20 30 BCEDRO C=CCn1cc(C[NH+]=C(N(C)C)N(C)C)nn1 ZINC000263006324 534453111 /nfs/dbraw/zinc/45/31/11/534453111.db2.gz ATSTZSIWZVKZAQ-UHFFFAOYSA-N 1 0 236.323 0.443 20 30 BCEDRO C=C1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000333873576 534465692 /nfs/dbraw/zinc/46/56/92/534465692.db2.gz PVTOEEFPUDFHAS-JTQLQIEISA-N 1 0 237.303 0.579 20 30 BCEDRO C=C[C@@H](CO)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356854291 534518943 /nfs/dbraw/zinc/51/89/43/534518943.db2.gz JUQMKHGCBJCLLK-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NCC[N@@H+](CC)CCC ZINC000358845822 534523482 /nfs/dbraw/zinc/52/34/82/534523482.db2.gz OJSPGLOCJGYLPQ-NSHDSACASA-N 1 0 243.351 0.564 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000356243041 534542121 /nfs/dbraw/zinc/54/21/21/534542121.db2.gz GLGIBLFSRYDNFP-NSHDSACASA-N 1 0 242.282 0.842 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H]1C[NH3+] ZINC000333844584 534599636 /nfs/dbraw/zinc/59/96/36/534599636.db2.gz VXBGIBOKDWZORR-AXFHLTTASA-N 1 0 239.319 0.463 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[NH2+]CC1 ZINC000333591110 534599707 /nfs/dbraw/zinc/59/97/07/534599707.db2.gz AZCOAIBWDBZOHD-MNOVXSKESA-N 1 0 239.319 0.335 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000333730815 534600571 /nfs/dbraw/zinc/60/05/71/534600571.db2.gz HTSAWYIKODDIMH-MXWKQRLJSA-N 1 0 239.319 0.333 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358655599 534622830 /nfs/dbraw/zinc/62/28/30/534622830.db2.gz ADDRAOIPNCSMMI-NTZNESFSSA-N 1 0 240.347 0.865 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000362380328 534643195 /nfs/dbraw/zinc/64/31/95/534643195.db2.gz PONMOHIQZQRZOZ-WDEREUQCSA-N 1 0 240.351 0.106 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCC1(S(C)(=O)=O)CC1 ZINC000262446711 534662007 /nfs/dbraw/zinc/66/20/07/534662007.db2.gz IXLWNMVLQASHPG-UHFFFAOYSA-N 1 0 247.364 0.266 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NC[C@]1(CCO)CCOC1 ZINC000262453581 534662200 /nfs/dbraw/zinc/66/22/00/534662200.db2.gz FAPGMOIIIRQGFX-LBPRGKRZSA-N 1 0 243.351 0.478 20 30 BCEDRO C=CCCCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358059323 534659875 /nfs/dbraw/zinc/65/98/75/534659875.db2.gz DEJLBAUSAYCWRM-LBPRGKRZSA-N 1 0 226.320 0.526 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000262460648 534664496 /nfs/dbraw/zinc/66/44/96/534664496.db2.gz FULJMNYGKZFJFK-UHFFFAOYSA-N 1 0 238.291 0.581 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000359195604 534678236 /nfs/dbraw/zinc/67/82/36/534678236.db2.gz MPFYLUCEEBZDFK-HBNTYKKESA-N 1 0 241.335 0.315 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358953716 534678672 /nfs/dbraw/zinc/67/86/72/534678672.db2.gz ZKYLIZCJPBXCGE-GMTAPVOTSA-N 1 0 241.335 0.315 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000289677740 534683233 /nfs/dbraw/zinc/68/32/33/534683233.db2.gz HNKXNNCGNZESHC-WDEREUQCSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@H]1CCCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000336569035 534693871 /nfs/dbraw/zinc/69/38/71/534693871.db2.gz DKBUZSGOJVBYAD-LBPRGKRZSA-N 1 0 238.331 0.886 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371266233 534714808 /nfs/dbraw/zinc/71/48/08/534714808.db2.gz KKKIGNPCRJXIGI-VXGBXAGGSA-N 1 0 235.331 0.936 20 30 BCEDRO C=CCC[N@@H+](C)CCCNS(=O)(=O)CC ZINC000342761445 534768307 /nfs/dbraw/zinc/76/83/07/534768307.db2.gz FEEIFYBYNLTTPT-UHFFFAOYSA-N 1 0 234.365 0.824 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261545050 534784933 /nfs/dbraw/zinc/78/49/33/534784933.db2.gz JMTZRBSCJNUKNE-ZJUUUORDSA-N 1 0 232.349 0.561 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000120604124 534785104 /nfs/dbraw/zinc/78/51/04/534785104.db2.gz CKTKZQJEBQKDDE-LLVKDONJSA-N 1 0 246.376 0.776 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183672330 534806214 /nfs/dbraw/zinc/80/62/14/534806214.db2.gz PMXWERKYFXJGKP-WDEREUQCSA-N 1 0 228.336 0.674 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000043707793 534824123 /nfs/dbraw/zinc/82/41/23/534824123.db2.gz LPCQTTXLJLDJGO-JTQLQIEISA-N 1 0 210.277 0.175 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](c1ccco1)N(C)C ZINC000264060567 534843386 /nfs/dbraw/zinc/84/33/86/534843386.db2.gz COMGKKAKCBCHDY-JTQLQIEISA-N 1 0 236.319 0.973 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cccc(CO)c1 ZINC000267396526 534843496 /nfs/dbraw/zinc/84/34/96/534843496.db2.gz FAXJAULNBLXVQP-UHFFFAOYSA-N 1 0 219.288 0.769 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](O)c1ccccc1F ZINC000261900310 534844776 /nfs/dbraw/zinc/84/47/76/534844776.db2.gz VTWLTUNVEUYPAR-LLVKDONJSA-N 1 0 237.278 0.949 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@](C)(CC)C(N)=O)C1=O ZINC000337189388 534851791 /nfs/dbraw/zinc/85/17/91/534851791.db2.gz RMGNEPYNRHHVAN-BXKDBHETSA-N 1 0 239.319 0.017 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@H]2CCC[C@@H](C1)C2O ZINC000361428266 534856811 /nfs/dbraw/zinc/85/68/11/534856811.db2.gz HKWVGGLIRLJFCP-QYJAPNMZSA-N 1 0 238.331 0.381 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000339730904 534859941 /nfs/dbraw/zinc/85/99/41/534859941.db2.gz LNDWQJFXVTZSIB-GFCCVEGCSA-N 1 0 240.347 0.675 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000336592768 534860775 /nfs/dbraw/zinc/86/07/75/534860775.db2.gz SKPIKIRJLDGPPV-GHMZBOCLSA-N 1 0 223.320 0.908 20 30 BCEDRO C=CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000262212141 534861544 /nfs/dbraw/zinc/86/15/44/534861544.db2.gz LSWQVTJEHQHSIA-DCAQKATOSA-N 1 0 223.320 0.941 20 30 BCEDRO C=CCOCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000356797793 534866919 /nfs/dbraw/zinc/86/69/19/534866919.db2.gz DJVCJLJCTJDZRQ-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCOCC(=O)N(CC)CCC[NH+](C)C ZINC000338894440 534867785 /nfs/dbraw/zinc/86/77/85/534867785.db2.gz OCSVOLSIDTXXFN-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C=CCOCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000356887699 534868565 /nfs/dbraw/zinc/86/85/65/534868565.db2.gz UIQALRWOWJXZLG-WDEREUQCSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CCOCC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000341792027 534868606 /nfs/dbraw/zinc/86/86/06/534868606.db2.gz SXAXYJXZJWNPIC-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000340965362 534870202 /nfs/dbraw/zinc/87/02/02/534870202.db2.gz OUFOTEFSAFBIDM-NSHDSACASA-N 1 0 242.319 0.026 20 30 BCEDRO C=CCOCC[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000339148033 534876769 /nfs/dbraw/zinc/87/67/69/534876769.db2.gz KGDAAPLPNZRCQP-VXGBXAGGSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCOCCC[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000348023598 534875615 /nfs/dbraw/zinc/87/56/15/534875615.db2.gz BHQJYUGBGSWJGD-LBPRGKRZSA-N 1 0 239.319 0.636 20 30 BCEDRO C=CCOCC[N@@H+](CCOC)[C@H]1CCOC1 ZINC000339134594 534877191 /nfs/dbraw/zinc/87/71/91/534877191.db2.gz DXYCUJPPAZOBEI-LBPRGKRZSA-N 1 0 229.320 0.926 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H]1CN(C)C(=O)O1 ZINC000496859341 526300848 /nfs/dbraw/zinc/30/08/48/526300848.db2.gz RZRFOIMIQNJYAR-JTQLQIEISA-N 1 0 228.292 0.571 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C#N)CC2(C)C)C1 ZINC000336103311 536447990 /nfs/dbraw/zinc/44/79/90/536447990.db2.gz ZOQSCCHLYWFSDT-BXKDBHETSA-N 1 0 221.304 0.747 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496622780 526488980 /nfs/dbraw/zinc/48/89/80/526488980.db2.gz KNJLGFOUYBILKY-JTQLQIEISA-N 1 0 210.277 0.947 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000308346663 526574885 /nfs/dbraw/zinc/57/48/85/526574885.db2.gz PPTDWBFJHOUCGW-WDEREUQCSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C(C)CNC(=O)NCCOCC[NH+](C)C ZINC000471644948 526616098 /nfs/dbraw/zinc/61/60/98/526616098.db2.gz OTHACHYBBPWOIW-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C#CC(C)(C)[N@H+](C)C[C@@H]1CCCNC1=O ZINC000491623094 526655768 /nfs/dbraw/zinc/65/57/68/526655768.db2.gz FSQZNSZCHKLIEC-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)CCN1C(=O)N[C@@H](C)C1=O ZINC000491670219 526655922 /nfs/dbraw/zinc/65/59/22/526655922.db2.gz LVCPOSAJCRELCK-VIFPVBQESA-N 1 0 237.303 0.270 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000494925982 526697526 /nfs/dbraw/zinc/69/75/26/526697526.db2.gz ZHBRQGOUPVFZMO-WDEREUQCSA-N 1 0 224.304 0.399 20 30 BCEDRO C#CCN(C(=O)NCCC[NH2+]C1CC1)C1CC1 ZINC000491773466 526767051 /nfs/dbraw/zinc/76/70/51/526767051.db2.gz RYBVAIKISQYUEZ-UHFFFAOYSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C[C@H]1CCOC1 ZINC000401246872 526805945 /nfs/dbraw/zinc/80/59/45/526805945.db2.gz DZRFYEBADOXYMJ-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(C=O)[nH]1 ZINC000491654949 526824435 /nfs/dbraw/zinc/82/44/35/526824435.db2.gz BHYDVUDZLLGGLD-UHFFFAOYSA-N 1 0 247.298 0.512 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC[NH2+]CCC ZINC000491382437 526856475 /nfs/dbraw/zinc/85/64/75/526856475.db2.gz IPMBVUQVNLDDTC-UHFFFAOYSA-N 1 0 235.331 0.654 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000491396756 526856983 /nfs/dbraw/zinc/85/69/83/526856983.db2.gz ZTXOMGCLSYOMCO-MNOVXSKESA-N 1 0 221.304 0.390 20 30 BCEDRO C#CCN(CC)C(=S)NCC[NH+](C)C ZINC000490575219 526895066 /nfs/dbraw/zinc/89/50/66/526895066.db2.gz OXDSKFUIONYPDY-UHFFFAOYSA-N 1 0 213.350 0.378 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CCCF)CC1 ZINC000491067853 526967608 /nfs/dbraw/zinc/96/76/08/526967608.db2.gz KMSUXVLWSRQWKQ-UHFFFAOYSA-N 1 0 226.295 0.807 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CCO)CCCCC ZINC000491154628 526975939 /nfs/dbraw/zinc/97/59/39/526975939.db2.gz KUGXFSCBKCRFLN-UHFFFAOYSA-N 1 0 240.347 0.610 20 30 BCEDRO C#CCNC(=O)CCN1CC[N@@H+](CC)C[C@H]1C ZINC000491067493 526978318 /nfs/dbraw/zinc/97/83/18/526978318.db2.gz IMMUSKKSRAAGLZ-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000491067345 526978848 /nfs/dbraw/zinc/97/88/48/526978848.db2.gz HTPJGZALCCJALT-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCCC[C@H]1O ZINC000491617118 526982721 /nfs/dbraw/zinc/98/27/21/526982721.db2.gz JVBKXLQUHZLPPK-NWDGAFQWSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)Cn1cccn1 ZINC000491705066 526982810 /nfs/dbraw/zinc/98/28/10/526982810.db2.gz ILSFZQGOPSPEEK-GFCCVEGCSA-N 1 0 248.330 0.248 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1cscn1 ZINC000491728175 526982842 /nfs/dbraw/zinc/98/28/42/526982842.db2.gz HJRPPZFJVXJDLW-UHFFFAOYSA-N 1 0 237.328 0.415 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cncc(C)c1 ZINC000491486465 526984766 /nfs/dbraw/zinc/98/47/66/526984766.db2.gz WIYSLWPNWVKHKQ-UHFFFAOYSA-N 1 0 231.299 0.619 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000491068786 526987243 /nfs/dbraw/zinc/98/72/43/526987243.db2.gz QZSZSYOAPUTXOE-RYUDHWBXSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000491451105 527011736 /nfs/dbraw/zinc/01/17/36/527011736.db2.gz DMKNTQGFGQWXDK-IUCAKERBSA-N 1 0 225.292 0.032 20 30 BCEDRO C#CCNC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000491451103 527011850 /nfs/dbraw/zinc/01/18/50/527011850.db2.gz DMKNTQGFGQWXDK-DTWKUNHWSA-N 1 0 225.292 0.032 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172958230 527022103 /nfs/dbraw/zinc/02/21/03/527022103.db2.gz SMVMWQSFJRRRTC-MXWKQRLJSA-N 1 0 220.316 0.712 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495090448 527083404 /nfs/dbraw/zinc/08/34/04/527083404.db2.gz IARKLLLZEUCUJJ-MNOVXSKESA-N 1 0 240.347 0.818 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)/C=C\C[NH+](C)C ZINC000492614727 527083631 /nfs/dbraw/zinc/08/36/31/527083631.db2.gz GVPYPXLWNJBYMQ-BXKUYDPTSA-N 1 0 212.293 0.157 20 30 BCEDRO C=CC[C@H](C)NC(=O)NCCOCC[NH+](C)C ZINC000471659591 527128901 /nfs/dbraw/zinc/12/89/01/527128901.db2.gz RKIGXGIMPMMOHT-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO C#C[C@@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000491304438 527272600 /nfs/dbraw/zinc/27/26/00/527272600.db2.gz GBOBMCRSBSVGSB-UTUOFQBUSA-N 1 0 235.331 0.648 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@@H](C)C[NH2+]C)C(C)C ZINC000491640983 527277754 /nfs/dbraw/zinc/27/77/54/527277754.db2.gz ZAJKGERJSVMQPE-WDEREUQCSA-N 1 0 225.336 0.799 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000491505411 527369381 /nfs/dbraw/zinc/36/93/81/527369381.db2.gz LWADVNAKHDWHNF-MNOVXSKESA-N 1 0 223.320 0.840 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000491535653 527377133 /nfs/dbraw/zinc/37/71/33/527377133.db2.gz DRAJZOFAPVCWMC-ZIAGYGMSSA-N 1 0 233.311 0.564 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H](C[NH3+])C1CC1)C(C)C ZINC000491523384 527396947 /nfs/dbraw/zinc/39/69/47/527396947.db2.gz DOWHQZJZLXZHSQ-QWRGUYRKSA-N 1 0 223.320 0.681 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C)CC[NH3+])C(C)C ZINC000491728858 527398218 /nfs/dbraw/zinc/39/82/18/527398218.db2.gz DMDLHWZAPPUXHP-ZJUUUORDSA-N 1 0 211.309 0.681 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)/C=C/C[NH+](C)C ZINC000493614783 527466413 /nfs/dbraw/zinc/46/64/13/527466413.db2.gz RBRMDXCUIZSQRB-XPMWWOIKSA-N 1 0 238.331 0.954 20 30 BCEDRO CC[N@H+](CC(=O)N[C@](C)(C#N)COC)C1CC1 ZINC000505256283 527918739 /nfs/dbraw/zinc/91/87/39/527918739.db2.gz ZHGXVAXKOZUOMS-GFCCVEGCSA-N 1 0 239.319 0.516 20 30 BCEDRO CCC[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000401375245 528249564 /nfs/dbraw/zinc/24/95/64/528249564.db2.gz HIEIVIKSJSOPOZ-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)/C=C\C[NH+](C)C ZINC000492568893 528901356 /nfs/dbraw/zinc/90/13/56/528901356.db2.gz TYJLMGUTCXJUKS-OMMCCPJFSA-N 1 0 209.293 0.769 20 30 BCEDRO CCC(CC)(CO)CNC1=[NH+]CCN1C ZINC000261531540 534989496 /nfs/dbraw/zinc/98/94/96/534989496.db2.gz GXTBTJSVKKXUAF-UHFFFAOYSA-N 1 0 213.325 0.676 20 30 BCEDRO CC(C)NC(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262474219 535126085 /nfs/dbraw/zinc/12/60/85/535126085.db2.gz OYEJKJCTFCVVLV-VIFPVBQESA-N 1 0 221.308 0.511 20 30 BCEDRO CC1(O)CC[NH+](CCOCCC#N)CC1 ZINC000339019156 535196655 /nfs/dbraw/zinc/19/66/55/535196655.db2.gz SOKYDZBECMSNML-UHFFFAOYSA-N 1 0 212.293 0.763 20 30 BCEDRO CC[NH+]=C(NCCn1ccnc1C)NC1CC1 ZINC000263254678 535261615 /nfs/dbraw/zinc/26/16/15/535261615.db2.gz QCLNFYXATCALRW-UHFFFAOYSA-N 1 0 235.335 0.909 20 30 BCEDRO CCCCNC(=[NH2+])NCc1nncn1CC ZINC000264109413 535262481 /nfs/dbraw/zinc/26/24/81/535262481.db2.gz QOOVLOPVXDMLOP-UHFFFAOYSA-N 1 0 224.312 0.502 20 30 BCEDRO CC[NH+]=C(NCc1noc(C)n1)N[C@H]1C[C@@H]1C ZINC000262463627 535265744 /nfs/dbraw/zinc/26/57/44/535265744.db2.gz GCDMWJHKHLIUNZ-CBAPKCEASA-N 1 0 237.307 0.842 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCn1cncn1 ZINC000264113894 535385079 /nfs/dbraw/zinc/38/50/79/535385079.db2.gz PJXJYKXCEQSLOD-UHFFFAOYSA-N 1 0 224.312 0.229 20 30 BCEDRO CC[C@@H](C(=O)N[C@H](C#N)C1CC1)[NH+](C)C ZINC000331755643 535423927 /nfs/dbraw/zinc/42/39/27/535423927.db2.gz LZGVKBZGGSIHFL-ZJUUUORDSA-N 1 0 209.293 0.745 20 30 BCEDRO CCO[C@@H]1C[C@H](NC(=[NH2+])NC)[C@]12CCCO2 ZINC000262384687 535448244 /nfs/dbraw/zinc/44/82/44/535448244.db2.gz PLYFDVKVOCPFAS-IQJOONFLSA-N 1 0 227.308 0.247 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CCSC[C@@H]1C#N ZINC000337474574 535491652 /nfs/dbraw/zinc/49/16/52/535491652.db2.gz SSCIOLUWUQBPKV-JTQLQIEISA-N 1 0 241.360 0.796 20 30 BCEDRO CC[NH+](CC)CCNC(=O)NCCCC#N ZINC000345340946 535534901 /nfs/dbraw/zinc/53/49/01/535534901.db2.gz NJEQPUBZAKOGRY-UHFFFAOYSA-N 1 0 226.324 0.931 20 30 BCEDRO CCOc1ncccc1CNC1=[NH+]C[C@H](C)N1 ZINC000262678030 535588687 /nfs/dbraw/zinc/58/86/87/535588687.db2.gz USJQNFCMDWRODF-VIFPVBQESA-N 1 0 234.303 0.918 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)CSCC#N ZINC000041761514 535598893 /nfs/dbraw/zinc/59/88/93/535598893.db2.gz JRIUIMDYKPOARI-JTQLQIEISA-N 1 0 241.360 0.844 20 30 BCEDRO C[NH+](C)Cc1ccc(C(=O)NCC#N)cn1 ZINC000339254770 535997023 /nfs/dbraw/zinc/99/70/23/535997023.db2.gz MGAHVVROTAYQSS-UHFFFAOYSA-N 1 0 218.260 0.397 20 30 BCEDRO CC[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000309067850 536075301 /nfs/dbraw/zinc/07/53/01/536075301.db2.gz AJTCGFYTHMMOGO-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO CC[C@@]1(O)CC[N@H+](CCOCCC#N)C1 ZINC000339100253 536085204 /nfs/dbraw/zinc/08/52/04/536085204.db2.gz JDCSOMUAZPWCJJ-LLVKDONJSA-N 1 0 212.293 0.763 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCC1([S@](C)=O)CC1 ZINC000262760339 536146031 /nfs/dbraw/zinc/14/60/31/536146031.db2.gz DAZLJFNANMRWJG-AYVTZFPOSA-N 1 0 231.365 0.600 20 30 BCEDRO CC[C@H](C)NC(NCc1ccnn1C)=[NH+]C ZINC000263274747 536146201 /nfs/dbraw/zinc/14/62/01/536146201.db2.gz XYUCJACCTGCZLN-VIFPVBQESA-N 1 0 223.324 0.884 20 30 BCEDRO CC[C@](C)(C#N)C(=O)N1C[C@H]2C[NH+](C)C[C@@H]2C1 ZINC000355552729 536183666 /nfs/dbraw/zinc/18/36/66/536183666.db2.gz FORCIFTZHFIXHR-NQBHXWOUSA-N 1 0 235.331 0.946 20 30 BCEDRO C[NH+]=C(NC[C@]1(OC)CCOC1)NC1CC1 ZINC000262644715 536304379 /nfs/dbraw/zinc/30/43/79/536304379.db2.gz IGLZSNOCPYCVGZ-LLVKDONJSA-N 1 0 227.308 0.119 20 30 BCEDRO CNC(=[NH2+])NCc1ccc2c(c1)OCCCO2 ZINC000264073792 536305063 /nfs/dbraw/zinc/30/50/63/536305063.db2.gz FBGQFRMTOSFEPL-UHFFFAOYSA-N 1 0 235.287 0.882 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@H+](C)CCCCO ZINC000349931733 536340337 /nfs/dbraw/zinc/34/03/37/536340337.db2.gz BQQQKLILFWOPBY-UHFFFAOYSA-N 1 0 241.335 0.453 20 30 BCEDRO C[NH+]1CCC2(CCCN2C(=O)CC#N)CC1 ZINC000357602361 536346940 /nfs/dbraw/zinc/34/69/40/536346940.db2.gz UBPMBUAMLDBMQY-UHFFFAOYSA-N 1 0 221.304 0.987 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOCCC#N ZINC000339124836 536362348 /nfs/dbraw/zinc/36/23/48/536362348.db2.gz PUYAEHMMQQMHBF-MNOVXSKESA-N 1 0 239.319 0.421 20 30 BCEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CC#N)CC[C@H]21 ZINC000227334978 536376256 /nfs/dbraw/zinc/37/62/56/536376256.db2.gz AIPOBPUMMZHAGT-GHMZBOCLSA-N 1 0 221.304 0.843 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(F)(C#N)CC1 ZINC000359354977 536387970 /nfs/dbraw/zinc/38/79/70/536387970.db2.gz YIBGXHWMHWRHDI-JTQLQIEISA-N 1 0 239.294 0.935 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC(C#N)CC1 ZINC000259973282 536387979 /nfs/dbraw/zinc/38/79/79/536387979.db2.gz MGQSTPAYVVMQLM-NSHDSACASA-N 1 0 221.304 0.843 20 30 BCEDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CCOCCC#N ZINC000339124837 536390735 /nfs/dbraw/zinc/39/07/35/536390735.db2.gz PUYAEHMMQQMHBF-QWRGUYRKSA-N 1 0 239.319 0.421 20 30 BCEDRO CNC(=O)c1cccc(CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262199680 536437528 /nfs/dbraw/zinc/43/75/28/536437528.db2.gz APCSMKGOUFPMJX-SECBINFHSA-N 1 0 246.314 0.484 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3cc(C#N)ccn3)C[C@H]21 ZINC000408107379 536446566 /nfs/dbraw/zinc/44/65/66/536446566.db2.gz OOSLYDRAILHTHI-NEPJUHHUSA-N 1 0 244.298 0.472 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362883932 536614802 /nfs/dbraw/zinc/61/48/02/536614802.db2.gz UYGIIDIBSQJUMW-FOGDFJRCSA-N 1 0 239.319 0.229 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1C[C@H](OC)C1(C)C ZINC000262797032 536853465 /nfs/dbraw/zinc/85/34/65/536853465.db2.gz LXLFCQVAZRNEOD-BDAKNGLRSA-N 1 0 229.324 0.351 20 30 BCEDRO COc1cccnc1CNC1=[NH+]CCCN1C ZINC000263041716 537111497 /nfs/dbraw/zinc/11/14/97/537111497.db2.gz CLOFKVJDPJIMKC-UHFFFAOYSA-N 1 0 234.303 0.871 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCCC(C)(C)[NH3+] ZINC000892849569 582996334 /nfs/dbraw/zinc/99/63/34/582996334.db2.gz MCTAZQRSMUMDNF-VIFPVBQESA-N 1 0 229.324 0.350 20 30 BCEDRO C=CCN(C(=O)[C@@]1(F)CC[NH2+]C1)[C@H](C)COC ZINC000852901885 583022681 /nfs/dbraw/zinc/02/26/81/583022681.db2.gz UNIHJGYWIWNMKY-ZYHUDNBSSA-N 1 0 244.310 0.738 20 30 BCEDRO CN1C[C@@H]([NH2+]C[C@H](C#N)CCC#N)CCC1=O ZINC000574962372 566325988 /nfs/dbraw/zinc/32/59/88/566325988.db2.gz QVUDTAKRDNAWQU-QWRGUYRKSA-N 1 0 234.303 0.640 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893474965 583150529 /nfs/dbraw/zinc/15/05/29/583150529.db2.gz HMODBAUTJUYDHT-MNOVXSKESA-N 1 0 247.360 0.602 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000894107370 583306863 /nfs/dbraw/zinc/30/68/63/583306863.db2.gz CQHHAVCWVGDGCR-MNOVXSKESA-N 1 0 238.335 0.930 20 30 BCEDRO CNC(NCC(C)(C)[C@@]1(O)CCCOC1)=[NH+]C ZINC000853013349 588715581 /nfs/dbraw/zinc/71/55/81/588715581.db2.gz XNAMEMPTRXABTR-GFCCVEGCSA-N 1 0 243.351 0.349 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000853029268 588716859 /nfs/dbraw/zinc/71/68/59/588716859.db2.gz QCPMSXQIPUCJPA-SNVBAGLBSA-N 1 0 225.361 0.568 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853108956 588721176 /nfs/dbraw/zinc/72/11/76/588721176.db2.gz KLDDVOBJRYHAMP-CMPLNLGQSA-N 1 0 220.272 0.089 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCN(CCC)C1 ZINC000853114596 588721448 /nfs/dbraw/zinc/72/14/48/588721448.db2.gz XOGZNVYWZHCHQL-LBPRGKRZSA-N 1 0 237.347 0.200 20 30 BCEDRO C#C[C@H]([NH2+]CC1(O)CCC1)C1CCOCC1 ZINC000853115124 588721559 /nfs/dbraw/zinc/72/15/59/588721559.db2.gz DXGMVBNFIIWPMP-LBPRGKRZSA-N 1 0 223.316 0.919 20 30 BCEDRO C#Cc1cccnc1N1CC[NH+](C[C@H](C)O)CC1 ZINC000853265398 588730025 /nfs/dbraw/zinc/73/00/25/588730025.db2.gz SCZDLFSJQZRVJT-LBPRGKRZSA-N 1 0 245.326 0.566 20 30 BCEDRO COCC(CC1CCOCC1)=[NH+]n1cnnc1 ZINC000853253663 588729323 /nfs/dbraw/zinc/72/93/23/588729323.db2.gz ALQGFYHAXFPLRX-UHFFFAOYSA-N 1 0 238.291 0.945 20 30 BCEDRO CCC(=NNC(N)=[NH2+])c1cccc(OC)n1 ZINC000853287621 588730780 /nfs/dbraw/zinc/73/07/80/588730780.db2.gz OGHVUIUBSUUYIZ-UHFFFAOYSA-N 1 0 221.264 0.687 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc(CO)cc2)N1 ZINC000853329868 588733536 /nfs/dbraw/zinc/73/35/36/588733536.db2.gz FWEHJLQYIUEPGZ-SECBINFHSA-N 1 0 232.287 0.450 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1c[nH]cn1 ZINC000853329743 588733657 /nfs/dbraw/zinc/73/36/57/588733657.db2.gz DSWZGRZYSMSVJW-ZCFIWIBFSA-N 1 0 206.253 0.071 20 30 BCEDRO C[C@H]1CNC(NN=C2COC3(CCC3)C2)=[NH+]1 ZINC000853330594 588733903 /nfs/dbraw/zinc/73/39/03/588733903.db2.gz QBURCHPSRJJHJQ-QMMMGPOBSA-N 1 0 222.292 0.623 20 30 BCEDRO CC(C)n1ccnc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000853330716 588733965 /nfs/dbraw/zinc/73/39/65/588733965.db2.gz UDOXLGUIXJRWCY-SECBINFHSA-N 1 0 234.307 0.735 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1ccnn1CC1CC1 ZINC000853357304 588737614 /nfs/dbraw/zinc/73/76/14/588737614.db2.gz DSJFDLPKCFYTOP-UHFFFAOYSA-N 1 0 232.291 0.176 20 30 BCEDRO C#CCOCCNC(=O)NCC[C@H](C)[NH+](C)C ZINC000853983127 588770291 /nfs/dbraw/zinc/77/02/91/588770291.db2.gz CFOGNFYBFXTXSE-NSHDSACASA-N 1 0 241.335 0.276 20 30 BCEDRO C=CCCc1noc(-c2cn(CC[NH3+])nn2)n1 ZINC000854159788 588776965 /nfs/dbraw/zinc/77/69/65/588776965.db2.gz JYNGNMQRRFOCEF-UHFFFAOYSA-N 1 0 234.263 0.405 20 30 BCEDRO C[C@@H](CC#N)C(=O)NOC1CC[NH+](C)CC1 ZINC000854357591 588784738 /nfs/dbraw/zinc/78/47/38/588784738.db2.gz CCHXTILLFLBMJS-VIFPVBQESA-N 1 0 225.292 0.678 20 30 BCEDRO C=CCCCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000854466881 588788791 /nfs/dbraw/zinc/78/87/91/588788791.db2.gz NHNONDHBSAWDQR-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C#CCCCCCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000854466206 588788918 /nfs/dbraw/zinc/78/89/18/588788918.db2.gz YMXCKIZKYMSIOW-GFCCVEGCSA-N 1 0 240.347 0.609 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000854543172 588792489 /nfs/dbraw/zinc/79/24/89/588792489.db2.gz VIVOKPDKTVJRIL-NXEZZACHSA-N 1 0 247.298 0.015 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000854547498 588793006 /nfs/dbraw/zinc/79/30/06/588793006.db2.gz WOBVOYOUZBWDFR-NEPJUHHUSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000854546258 588793025 /nfs/dbraw/zinc/79/30/25/588793025.db2.gz AGBACPRCUHSVTK-RYUDHWBXSA-N 1 0 238.331 0.361 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ocnc1C ZINC000854585604 588795744 /nfs/dbraw/zinc/79/57/44/588795744.db2.gz UQRKMZZGHRYVAS-UHFFFAOYSA-N 1 0 223.276 0.717 20 30 BCEDRO CC#CC(=O)N1CCOC[C@@H]1[C@H]1CCC[N@@H+]1C ZINC000854642394 588799015 /nfs/dbraw/zinc/79/90/15/588799015.db2.gz LNKCXLRUEPEUBO-VXGBXAGGSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC(C)=NO1 ZINC000854663709 588800199 /nfs/dbraw/zinc/80/01/99/588800199.db2.gz DHXXDFBRLZHEQW-LLVKDONJSA-N 1 0 237.303 0.223 20 30 BCEDRO CC(C)C#CC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000854824294 588812087 /nfs/dbraw/zinc/81/20/87/588812087.db2.gz LMOSTVIIRZBLIN-NWDGAFQWSA-N 1 0 220.316 0.808 20 30 BCEDRO C[NH+](C)CCONC(=O)CC1(C#N)CC1 ZINC000854944978 588817736 /nfs/dbraw/zinc/81/77/36/588817736.db2.gz FKKMMRVAPJOMRS-UHFFFAOYSA-N 1 0 211.265 0.290 20 30 BCEDRO C#Cc1ccc(C(=O)NOCC[NH+](C)C)nc1 ZINC000854945587 588817913 /nfs/dbraw/zinc/81/79/13/588817913.db2.gz MHPQYOGSLPFOPM-UHFFFAOYSA-N 1 0 233.271 0.286 20 30 BCEDRO Cc1cc(C(=O)NOCC[NH+](C)C)ncc1C#N ZINC000854947287 588818318 /nfs/dbraw/zinc/81/83/18/588818318.db2.gz OIFIHCXPADLYFB-UHFFFAOYSA-N 1 0 248.286 0.485 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000890527408 582467307 /nfs/dbraw/zinc/46/73/07/582467307.db2.gz RZSIFLCPQFFDSG-RYUDHWBXSA-N 1 0 248.326 0.210 20 30 BCEDRO C=CC[C@H]1CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000890555243 582475426 /nfs/dbraw/zinc/47/54/26/582475426.db2.gz GIVZLIUIPMETRA-STQMWFEESA-N 1 0 249.358 0.553 20 30 BCEDRO CCN(C(=O)C#CC1CC1)[C@@H]1CC[N@H+](C)C1 ZINC000855362508 588828955 /nfs/dbraw/zinc/82/89/55/588828955.db2.gz NRHVPQQFZMLDBB-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO C=C(CO)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000855360792 588829176 /nfs/dbraw/zinc/82/91/76/588829176.db2.gz OIKQFWVZJIUZGR-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO C#C[C@@H]1CCCCN1C(=O)Cc1cncn1C ZINC000890653748 582493364 /nfs/dbraw/zinc/49/33/64/582493364.db2.gz QRIMQZNZGGWPPZ-LLVKDONJSA-N 1 0 231.299 0.977 20 30 BCEDRO C#CCOc1ccc(C[NH2+][C@H](C)C(N)=O)cc1 ZINC000113316399 588831232 /nfs/dbraw/zinc/83/12/32/588831232.db2.gz ATEVVCKROAFVIT-SNVBAGLBSA-N 1 0 232.283 0.662 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](CC)OC[C@H]1C ZINC000844391196 582580879 /nfs/dbraw/zinc/58/08/79/582580879.db2.gz NVBAJOVHNVCXHD-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000113427461 588838859 /nfs/dbraw/zinc/83/88/59/588838859.db2.gz RABCASCHSMLWDP-ZDUSSCGKSA-N 1 0 249.358 0.296 20 30 BCEDRO C[NH+](C)CC(=O)NCC#C[C@@H]1CCCCO1 ZINC000891127629 582613065 /nfs/dbraw/zinc/61/30/65/582613065.db2.gz YUYITPKSPSSTAY-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000889105144 582638835 /nfs/dbraw/zinc/63/88/35/582638835.db2.gz GZJFTFGCCPIOTC-TXEJJXNPSA-N 1 0 235.331 0.603 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000868471937 582658720 /nfs/dbraw/zinc/65/87/20/582658720.db2.gz APPGWJRWEBFXEO-GRYCIOLGSA-N 1 0 238.331 0.217 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC(C)(C)C#N ZINC000891766773 582717967 /nfs/dbraw/zinc/71/79/67/582717967.db2.gz WKGJOAJRUSYINJ-RKDXNWHRSA-N 1 0 224.308 0.667 20 30 BCEDRO C=CCOCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891766145 582718157 /nfs/dbraw/zinc/71/81/57/582718157.db2.gz VXSASOONMARTHC-UHFFFAOYSA-N 1 0 229.324 0.616 20 30 BCEDRO CC(C)(C#N)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891765176 582718183 /nfs/dbraw/zinc/71/81/83/582718183.db2.gz CDZHEJJLLYCRTP-KYZUINATSA-N 1 0 224.308 0.573 20 30 BCEDRO C=CCOCCNC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000891764626 582718320 /nfs/dbraw/zinc/71/83/20/582718320.db2.gz JEKRFHHPQYMYNF-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C#CCOCCNC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000891774268 582718462 /nfs/dbraw/zinc/71/84/62/582718462.db2.gz GQNGBHWMUGCWEU-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO CCN(C(=O)NCCCC#N)[C@@H]1CC[NH2+]C1 ZINC000891770194 582718465 /nfs/dbraw/zinc/71/84/65/582718465.db2.gz VEVZYAMTXIWMBC-SNVBAGLBSA-N 1 0 224.308 0.684 20 30 BCEDRO N#CCCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000891770458 582718608 /nfs/dbraw/zinc/71/86/08/582718608.db2.gz XCXLFWOKVASSQU-VHSXEESVSA-N 1 0 224.308 0.859 20 30 BCEDRO N#CCCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891769831 582718731 /nfs/dbraw/zinc/71/87/31/582718731.db2.gz QVQDHRGXTSQVCP-KYZUINATSA-N 1 0 210.281 0.327 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc(O)cc2O)N1 ZINC000779791469 582730673 /nfs/dbraw/zinc/73/06/73/582730673.db2.gz CYBNPQIVBXRJTJ-ZETCQYMHSA-N 1 0 234.259 0.369 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@H]1CCCOC1 ZINC000779794093 582732330 /nfs/dbraw/zinc/73/23/30/582732330.db2.gz CNGPJBBFPRKQIV-WPRPVWTQSA-N 1 0 224.308 0.726 20 30 BCEDRO N#CCC1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891870990 582733039 /nfs/dbraw/zinc/73/30/39/582733039.db2.gz XQFSVWCWZFRFRE-PHIMTYICSA-N 1 0 248.330 0.826 20 30 BCEDRO N#CC1(CNC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CC1 ZINC000891874272 582733508 /nfs/dbraw/zinc/73/35/08/582733508.db2.gz CTQZYPYUSULQRW-AOOOYVTPSA-N 1 0 234.303 0.436 20 30 BCEDRO N#CC1(CNC(=O)N[C@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891876582 582733512 /nfs/dbraw/zinc/73/35/12/582733512.db2.gz SJGKLMOPZIPBPA-MFKMUULPSA-N 1 0 248.330 0.874 20 30 BCEDRO N#CC1(CNC(=O)N[C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000891874308 582733550 /nfs/dbraw/zinc/73/35/50/582733550.db2.gz DRVGBNHGFFDHAL-VHSXEESVSA-N 1 0 236.319 0.859 20 30 BCEDRO N#CC1(CNC(=O)N[C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000891874307 582733807 /nfs/dbraw/zinc/73/38/07/582733807.db2.gz DRVGBNHGFFDHAL-UWVGGRQHSA-N 1 0 236.319 0.859 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891937435 582741233 /nfs/dbraw/zinc/74/12/33/582741233.db2.gz BTPIDPJBVKBTEI-MMWGEVLESA-N 1 0 237.303 0.086 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891937785 582741348 /nfs/dbraw/zinc/74/13/48/582741348.db2.gz FQNFWFOVOGTASM-YTWAJWBKSA-N 1 0 239.319 0.366 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)NCC[NH3+])C2 ZINC000891976911 582751053 /nfs/dbraw/zinc/75/10/53/582751053.db2.gz QAVKGLZHQBNLPA-GFCCVEGCSA-N 1 0 244.298 0.283 20 30 BCEDRO C=CCC1(O)CCN(C(=O)NCCC[NH3+])CC1 ZINC000891987392 582754537 /nfs/dbraw/zinc/75/45/37/582754537.db2.gz USFWJJKZPJYVKY-UHFFFAOYSA-N 1 0 241.335 0.448 20 30 BCEDRO C=CCC1(O)CCN(C(=O)NCC[NH2+]C)CC1 ZINC000891994310 582755934 /nfs/dbraw/zinc/75/59/34/582755934.db2.gz UDJFTIDKYMHXFU-UHFFFAOYSA-N 1 0 241.335 0.318 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H]2COC[C@]2(C)C1 ZINC000855834881 588849733 /nfs/dbraw/zinc/84/97/33/588849733.db2.gz DFLWLRAHFCQFDY-AAEUAGOBSA-N 1 0 238.331 0.599 20 30 BCEDRO N#Cc1cc(C[N@@H+](CCO)CCCO)cs1 ZINC000892018416 582762830 /nfs/dbraw/zinc/76/28/30/582762830.db2.gz BYCUVGJBVCGRLS-UHFFFAOYSA-N 1 0 240.328 0.796 20 30 BCEDRO CCc1ccc(NC(=[NH2+])NCCO)cc1 ZINC000104152394 582791991 /nfs/dbraw/zinc/79/19/91/582791991.db2.gz ZDRGIPYKRQCYAQ-UHFFFAOYSA-N 1 0 207.277 0.968 20 30 BCEDRO COc1cc(CCNC2=[NH+]CCN2C)ccc1O ZINC000849005721 582822257 /nfs/dbraw/zinc/82/22/57/582822257.db2.gz WEDPMRGHIOCGJK-UHFFFAOYSA-N 1 0 249.314 0.834 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCOC[C@@H]1CCOC1 ZINC000849006509 582822482 /nfs/dbraw/zinc/82/24/82/582822482.db2.gz CCRUNJQROBVNJJ-LLVKDONJSA-N 1 0 241.335 0.730 20 30 BCEDRO C#CCOCCNC(NCc1ccco1)=[NH+]C ZINC000849018219 582827635 /nfs/dbraw/zinc/82/76/35/582827635.db2.gz XEUGJETYLBSUMZ-UHFFFAOYSA-N 1 0 235.287 0.594 20 30 BCEDRO CN(C)C(=[NH+]CC(C)(C)OCCO)N(C)C ZINC000849028069 582831850 /nfs/dbraw/zinc/83/18/50/582831850.db2.gz AEIJEEBFVHBTMD-UHFFFAOYSA-N 1 0 231.340 0.253 20 30 BCEDRO C[NH+]=C(N[C@H](CO)CCF)NC1CC1 ZINC000849048006 582841389 /nfs/dbraw/zinc/84/13/89/582841389.db2.gz AQRSTZGPVYGTJC-QMMMGPOBSA-N 1 0 203.261 0.034 20 30 BCEDRO CNC(NC[C@H](C)C(=O)OC(C)(C)C)=[NH+]C ZINC000849048638 582841492 /nfs/dbraw/zinc/84/14/92/582841492.db2.gz FDQFUPKVXVLFKE-QMMMGPOBSA-N 1 0 229.324 0.759 20 30 BCEDRO C=CCCONC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000856027667 588855710 /nfs/dbraw/zinc/85/57/10/588855710.db2.gz VSLKLOQCFSUFIY-NXEZZACHSA-N 1 0 212.293 0.951 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC12CCOCC2 ZINC000849328675 582849214 /nfs/dbraw/zinc/84/92/14/582849214.db2.gz OIISZHBHLATDSD-UHFFFAOYSA-N 1 0 236.315 0.381 20 30 BCEDRO CCC[N@@H+]1CC[C@H](NC(=O)C=NOC)C1 ZINC000856073150 588859384 /nfs/dbraw/zinc/85/93/84/588859384.db2.gz KBWPHOWUBJHICZ-VIFPVBQESA-N 1 0 213.281 0.219 20 30 BCEDRO [NH2+]=C(NCCCCCCO)NCC1CC1 ZINC000147558335 582884321 /nfs/dbraw/zinc/88/43/21/582884321.db2.gz CEKWPEHILPCCAE-UHFFFAOYSA-N 1 0 213.325 0.853 20 30 BCEDRO C#C[C@H](C)NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892457145 582892482 /nfs/dbraw/zinc/89/24/82/582892482.db2.gz DJLZNBCPSMHFAT-BMQDGWLCSA-N 1 0 221.304 0.673 20 30 BCEDRO C#C[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1CCOCC1 ZINC000856109265 588860677 /nfs/dbraw/zinc/86/06/77/588860677.db2.gz KVJZARCXFKCLHJ-CMPLNLGQSA-N 1 0 238.331 0.481 20 30 BCEDRO C=CCCN(C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892572025 582917476 /nfs/dbraw/zinc/91/74/76/582917476.db2.gz ONYPURLGMPFNNH-MGCOHNPYSA-N 1 0 211.309 0.941 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2COC[C@H]2C1 ZINC000856146534 588862693 /nfs/dbraw/zinc/86/26/93/588862693.db2.gz HKXVTBOKKRACFR-VXGBXAGGSA-N 1 0 238.331 0.599 20 30 BCEDRO C#CCOCC[NH+]1CCC(Cn2ccnn2)CC1 ZINC000851866794 582972985 /nfs/dbraw/zinc/97/29/85/582972985.db2.gz SCZJHMKDFDKEFL-UHFFFAOYSA-N 1 0 248.330 0.640 20 30 BCEDRO C=CCOCC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000892783494 582982112 /nfs/dbraw/zinc/98/21/12/582982112.db2.gz ONRONLFDYIBYBI-ZDUSSCGKSA-N 1 0 238.331 0.790 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)NCCC(C)(C)[NH3+] ZINC000892849848 582996459 /nfs/dbraw/zinc/99/64/59/582996459.db2.gz FVYDEWRTBNQDHS-JTQLQIEISA-N 1 0 239.319 0.157 20 30 BCEDRO C#CCCN(CCOC)C(=O)[C@H]1CCC[N@@H+]1C ZINC000856388038 588871110 /nfs/dbraw/zinc/87/11/10/588871110.db2.gz HHJLRQJNAWAEDQ-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCOCCC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000856488909 588873949 /nfs/dbraw/zinc/87/39/49/588873949.db2.gz HEUKRMMMJXPXFP-LBPRGKRZSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000854543208 583087982 /nfs/dbraw/zinc/08/79/82/583087982.db2.gz AAPRZXFHEHAAEE-MNOVXSKESA-N 1 0 240.347 0.654 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000893318229 583099521 /nfs/dbraw/zinc/09/95/21/583099521.db2.gz LHYJMVCXPNWLES-HOSYDEDBSA-N 1 0 242.319 0.071 20 30 BCEDRO CCOC(=O)CCCNC(=[NH2+])N(CC)CC ZINC000104153530 583111597 /nfs/dbraw/zinc/11/15/97/583111597.db2.gz ORGWYLCONHTNKY-UHFFFAOYSA-N 1 0 229.324 0.986 20 30 BCEDRO CC(=O)NCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000104154517 583115564 /nfs/dbraw/zinc/11/55/64/583115564.db2.gz IBDBAJPDDJFCSC-SECBINFHSA-N 1 0 226.324 0.169 20 30 BCEDRO Cc1cc(N)nc(N2CC[C@](F)(C#N)C2)n1 ZINC000893410222 583138901 /nfs/dbraw/zinc/13/89/01/583138901.db2.gz ZGJYFTVHAOTKJO-JTQLQIEISA-N 1 0 221.239 0.809 20 30 BCEDRO Fc1ccc2c(c1)C(=NNC1=[NH+]CCN1)CO2 ZINC000841658708 583159379 /nfs/dbraw/zinc/15/93/79/583159379.db2.gz IEYBMTVMEIQRBN-UHFFFAOYSA-N 1 0 234.234 0.471 20 30 BCEDRO COCCOC[C@H](C)[NH2+]C[C@H](C)C#N ZINC000893544432 583159947 /nfs/dbraw/zinc/15/99/47/583159947.db2.gz KLVTXACTUQWLML-ZJUUUORDSA-N 1 0 200.282 0.787 20 30 BCEDRO CCN(CCO)CC[NH2+]CC#Cc1ccccc1 ZINC000893645965 583185591 /nfs/dbraw/zinc/18/55/91/583185591.db2.gz CCIKCFLJSSVFHX-UHFFFAOYSA-N 1 0 246.354 0.942 20 30 BCEDRO C#C[C@@H]([NH2+]C1CCS(=O)CC1)[C@@H]1CCCO1 ZINC000893677352 583196031 /nfs/dbraw/zinc/19/60/31/583196031.db2.gz RWBHGYRMZFOSHW-QNGPIJNLSA-N 1 0 241.356 0.668 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cnccc1C#N ZINC000893873623 583238405 /nfs/dbraw/zinc/23/84/05/583238405.db2.gz RFCDVAKWKIVGPM-LLVKDONJSA-N 1 0 244.298 0.777 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccc(C#N)nn2)C1 ZINC000893934134 583252779 /nfs/dbraw/zinc/25/27/79/583252779.db2.gz FODGAIZMCCUBDH-ONGXEEELSA-N 1 0 229.287 0.489 20 30 BCEDRO C=CCN(C(=O)NCC[C@H](C)[NH3+])[C@@H](C)COC ZINC000857106817 588888121 /nfs/dbraw/zinc/88/81/21/588888121.db2.gz AUQUSJYDHTVNDP-QWRGUYRKSA-N 1 0 243.351 0.956 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2cnc(C#N)cn2)C1 ZINC000893941891 583254987 /nfs/dbraw/zinc/25/49/87/583254987.db2.gz XCFABAQQAYCLMQ-ONGXEEELSA-N 1 0 229.287 0.489 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(c3cc(C#N)ncn3)[C@@H]2C1 ZINC000893942172 583255972 /nfs/dbraw/zinc/25/59/72/583255972.db2.gz ZMKMGKBMTDDPTD-GXSJLCMTSA-N 1 0 229.287 0.489 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000857108922 588888553 /nfs/dbraw/zinc/88/85/53/588888553.db2.gz IQQRLJZCGJONNB-WCBMZHEXSA-N 1 0 228.271 0.371 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cnc(CO)cn1 ZINC000893988579 583270044 /nfs/dbraw/zinc/27/00/44/583270044.db2.gz FFRQGCXUOQTEIR-UHFFFAOYSA-N 1 0 234.303 0.336 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000894107369 583307175 /nfs/dbraw/zinc/30/71/75/583307175.db2.gz CQHHAVCWVGDGCR-GHMZBOCLSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000894108087 583307225 /nfs/dbraw/zinc/30/72/25/583307225.db2.gz PUTOUDKKDHWPPO-QWRGUYRKSA-N 1 0 238.335 0.787 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000857182629 588891969 /nfs/dbraw/zinc/89/19/69/588891969.db2.gz ZCCSKUYONYHUAI-CMPLNLGQSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857243084 588901083 /nfs/dbraw/zinc/90/10/83/588901083.db2.gz VPXBBEUJNAHHKR-NWDGAFQWSA-N 1 0 238.331 0.651 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC000857223502 588895591 /nfs/dbraw/zinc/89/55/91/588895591.db2.gz SRKWIASZANOMMV-SNVBAGLBSA-N 1 0 249.314 0.578 20 30 BCEDRO C#CCCCCNC(=O)NCC[NH2+]C1CC1 ZINC000841861581 583457861 /nfs/dbraw/zinc/45/78/61/583457861.db2.gz YBFDIVKJFBPIDB-UHFFFAOYSA-N 1 0 223.320 0.841 20 30 BCEDRO C[C@@H]1CCC[N@@H+]1CCNC(=O)NCCC#N ZINC000894484673 583470881 /nfs/dbraw/zinc/47/08/81/583470881.db2.gz HTCFMEGXVNHPNY-SNVBAGLBSA-N 1 0 224.308 0.684 20 30 BCEDRO CN(C(=O)NCCC#N)[C@H]1CCC[N@H+](C)C1 ZINC000894486171 583471722 /nfs/dbraw/zinc/47/17/22/583471722.db2.gz SOQBNKLAFQIIGJ-JTQLQIEISA-N 1 0 224.308 0.636 20 30 BCEDRO CC1(C)COC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000894750385 583515838 /nfs/dbraw/zinc/51/58/38/583515838.db2.gz VPESQPJVAJYBNY-SECBINFHSA-N 1 0 235.291 0.164 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)COC(C)=O ZINC000894770019 583516982 /nfs/dbraw/zinc/51/69/82/583516982.db2.gz SEDMNWGGULNDSR-KOLCDFICSA-N 1 0 215.293 0.855 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H](C)COC(C)=O ZINC000894770020 583517170 /nfs/dbraw/zinc/51/71/70/583517170.db2.gz SEDMNWGGULNDSR-MWLCHTKSSA-N 1 0 215.293 0.855 20 30 BCEDRO C#CC[C@@H](COC)Nc1nc(N)cc(C)[nH+]1 ZINC000894830750 583527722 /nfs/dbraw/zinc/52/77/22/583527722.db2.gz RZRNZWABSOKNGN-VIFPVBQESA-N 1 0 220.276 0.817 20 30 BCEDRO CS(=O)(=O)C1CC([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000895009608 583567196 /nfs/dbraw/zinc/56/71/96/583567196.db2.gz DDHFMTUPBRPBMF-IZUQBHJASA-N 1 0 242.344 0.844 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cn2cccnc2n1 ZINC000895096702 583588413 /nfs/dbraw/zinc/58/84/13/583588413.db2.gz BSIVOMOOEUALNC-NSHDSACASA-N 1 0 244.298 0.593 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]CCC[C@H]1CCO1 ZINC000895101090 583589098 /nfs/dbraw/zinc/58/90/98/583589098.db2.gz ZIJRPLFGCDFSBG-NEPJUHHUSA-N 1 0 211.305 0.919 20 30 BCEDRO C(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cocn1 ZINC000814885606 583596414 /nfs/dbraw/zinc/59/64/14/583596414.db2.gz FLKAOQUKEMWOON-AOOOYVTPSA-N 1 0 233.275 0.869 20 30 BCEDRO C#CCNC(=S)NCC(C)(C)C[NH+](C)C ZINC000727069377 583601170 /nfs/dbraw/zinc/60/11/70/583601170.db2.gz WEOWPUXTYHUHFX-UHFFFAOYSA-N 1 0 227.377 0.672 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000895131446 583601214 /nfs/dbraw/zinc/60/12/14/583601214.db2.gz ILAXFZGUWGJJNB-WUHRBBMRSA-N 1 0 241.331 0.543 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000895131449 583601241 /nfs/dbraw/zinc/60/12/41/583601241.db2.gz ILAXFZGUWGJJNB-YVECIDJPSA-N 1 0 241.331 0.543 20 30 BCEDRO CO[C@H](C)[C@@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895157229 583607711 /nfs/dbraw/zinc/60/77/11/583607711.db2.gz NOUHTWPBSKEPTO-HLTSFMKQSA-N 1 0 216.281 0.380 20 30 BCEDRO CO[C@H](C)[C@@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895157230 583607867 /nfs/dbraw/zinc/60/78/67/583607867.db2.gz NOUHTWPBSKEPTO-IWSPIJDZSA-N 1 0 216.281 0.380 20 30 BCEDRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)CO1 ZINC000895157369 583608108 /nfs/dbraw/zinc/60/81/08/583608108.db2.gz PGVLBRPGJVQREY-AEJSXWLSSA-N 1 0 228.292 0.524 20 30 BCEDRO CCC[C@H](C[NH2+][C@@H]1CCCN(O)C1=O)OC ZINC000895158625 583608285 /nfs/dbraw/zinc/60/82/85/583608285.db2.gz LEJPLODASFIIOS-NXEZZACHSA-N 1 0 230.308 0.771 20 30 BCEDRO O=C1[C@@H]([NH2+]C[C@@H]2CCSC2)CCCN1O ZINC000895159450 583608623 /nfs/dbraw/zinc/60/86/23/583608623.db2.gz FSLBVOYXFHJUCB-IUCAKERBSA-N 1 0 230.333 0.709 20 30 BCEDRO COC[C@H](C)C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895159532 583608929 /nfs/dbraw/zinc/60/89/29/583608929.db2.gz HEZVOSWJGUQASA-RKDXNWHRSA-N 1 0 216.281 0.239 20 30 BCEDRO C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@@H]1CC1(F)F ZINC000895159892 583609254 /nfs/dbraw/zinc/60/92/54/583609254.db2.gz YPUHGALIAZQMSB-FXQIFTODSA-N 1 0 234.246 1.000 20 30 BCEDRO COC1(C[NH2+][C@H]2CCCN(O)C2=O)CCCC1 ZINC000895160687 583609441 /nfs/dbraw/zinc/60/94/41/583609441.db2.gz ONHCMRTVYCZFCJ-JTQLQIEISA-N 1 0 242.319 0.915 20 30 BCEDRO C[NH+]1CCC(N[C@@H]2CCCN(O)C2=O)CC1 ZINC000895161846 583610548 /nfs/dbraw/zinc/61/05/48/583610548.db2.gz IAVDQTDKTZLHKS-SNVBAGLBSA-N 1 0 227.308 0.050 20 30 BCEDRO O=C1[C@H]([NH2+][C@H]2COC3(CCC3)C2)CCCN1O ZINC000895193188 583622161 /nfs/dbraw/zinc/62/21/61/583622161.db2.gz MRMGTEYJEKKSDQ-NXEZZACHSA-N 1 0 240.303 0.668 20 30 BCEDRO CC1(O)CCC([NH2+][C@H]2CCCN(O)C2=O)CC1 ZINC000895194592 583622233 /nfs/dbraw/zinc/62/22/33/583622233.db2.gz ZSVZWHUJRLLUQG-YZRBJQDESA-N 1 0 242.319 0.650 20 30 BCEDRO C=CCONC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000895249920 583632045 /nfs/dbraw/zinc/63/20/45/583632045.db2.gz ZVKVBXILOINTTP-AOOOYVTPSA-N 1 0 225.292 0.307 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000895249169 583632069 /nfs/dbraw/zinc/63/20/69/583632069.db2.gz OYVPHAASARFQDC-GHMZBOCLSA-N 1 0 239.319 0.982 20 30 BCEDRO C=CCONC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000895246583 583632522 /nfs/dbraw/zinc/63/25/22/583632522.db2.gz AXXCFQQVDAUNBY-SNVBAGLBSA-N 1 0 227.308 0.840 20 30 BCEDRO C[NH+](C)CC(=O)NCCNc1ncccc1C#N ZINC000727374140 583635352 /nfs/dbraw/zinc/63/53/52/583635352.db2.gz NHKVHHGXFRHSJA-UHFFFAOYSA-N 1 0 247.302 0.043 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCc2cn[nH]c21 ZINC000857872934 588918298 /nfs/dbraw/zinc/91/82/98/588918298.db2.gz RUGSRIZVWHQZHD-NXEZZACHSA-N 1 0 207.277 0.924 20 30 BCEDRO C#Cc1ccc(C[N@H+]2C[C@H](O)C[C@@]2(C)CO)cc1 ZINC000895329283 583651590 /nfs/dbraw/zinc/65/15/90/583651590.db2.gz ISOYTGDCIKJBKC-CABCVRRESA-N 1 0 245.322 0.986 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000882893108 583655515 /nfs/dbraw/zinc/65/55/15/583655515.db2.gz MHMFSBZRFSVLLH-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841886892 583655618 /nfs/dbraw/zinc/65/56/18/583655618.db2.gz VQZZGYMFPPVNQZ-NSHDSACASA-N 1 0 223.320 0.841 20 30 BCEDRO C#CC1(O)CC[NH+](CC2=CCCOC2)CC1 ZINC000895382526 583662090 /nfs/dbraw/zinc/66/20/90/583662090.db2.gz IHHFNRLZJLRHJI-UHFFFAOYSA-N 1 0 221.300 0.793 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2c[nH]nc2C)CC1 ZINC000895382459 583662173 /nfs/dbraw/zinc/66/21/73/583662173.db2.gz GNBDNNOVHZFCFY-UHFFFAOYSA-N 1 0 219.288 0.678 20 30 BCEDRO C#CC1(O)CCN(Cc2cnc(C)nc2)CC1 ZINC000895383259 583662887 /nfs/dbraw/zinc/66/28/87/583662887.db2.gz QDWHCNHJZWPPNV-UHFFFAOYSA-N 1 0 231.299 0.745 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895461090 583677926 /nfs/dbraw/zinc/67/79/26/583677926.db2.gz DMWMHIZYBVJSHP-MXWKQRLJSA-N 1 0 245.294 0.757 20 30 BCEDRO C=CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000895473571 583679372 /nfs/dbraw/zinc/67/93/72/583679372.db2.gz OQRRPNRKJWGKRE-UHFFFAOYSA-N 1 0 224.304 0.399 20 30 BCEDRO C=C[C@H](C)ONC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000895577935 583694094 /nfs/dbraw/zinc/69/40/94/583694094.db2.gz CVOIZLVDXQJDKV-AXFHLTTASA-N 1 0 239.319 0.838 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000895672257 583706746 /nfs/dbraw/zinc/70/67/46/583706746.db2.gz QHQDBKGDYDXFSM-WUHRBBMRSA-N 1 0 241.331 0.807 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)COCCOC ZINC000895672838 583707028 /nfs/dbraw/zinc/70/70/28/583707028.db2.gz XTWUASANJKHTTK-RYUDHWBXSA-N 1 0 229.320 0.666 20 30 BCEDRO C=CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000895690944 583707300 /nfs/dbraw/zinc/70/73/00/583707300.db2.gz BPSJIOSGSGZKJP-QWRGUYRKSA-N 1 0 223.320 0.908 20 30 BCEDRO C=CCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000895690946 583707438 /nfs/dbraw/zinc/70/74/38/583707438.db2.gz BPSJIOSGSGZKJP-WDEREUQCSA-N 1 0 223.320 0.908 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C2CSC2)C1 ZINC000895747193 583716520 /nfs/dbraw/zinc/71/65/20/583716520.db2.gz FDCHCVVFDAQOEA-SNVBAGLBSA-N 1 0 210.346 0.789 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C[C@@H](C)COC)C1 ZINC000895748949 583716921 /nfs/dbraw/zinc/71/69/21/583716921.db2.gz TYACGRUJMADHNL-CHWSQXEVSA-N 1 0 224.348 0.956 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCn2cncc2C1 ZINC000857945174 588924773 /nfs/dbraw/zinc/92/47/73/588924773.db2.gz SABLYFMQGAEJDH-NSHDSACASA-N 1 0 248.330 0.432 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000895797249 583730814 /nfs/dbraw/zinc/73/08/14/583730814.db2.gz XWBJHVYUNBLURB-GARJFASQSA-N 1 0 244.360 0.949 20 30 BCEDRO C#CC[NH+]1CCC(Nc2ccc(C#N)nn2)CC1 ZINC000895808155 583732474 /nfs/dbraw/zinc/73/24/74/583732474.db2.gz BLFINYTWBZPAHT-UHFFFAOYSA-N 1 0 241.298 0.858 20 30 BCEDRO C#CC[NH+]1CCC(Nc2nnc(C)c(C)n2)CC1 ZINC000895808007 583732583 /nfs/dbraw/zinc/73/25/83/583732583.db2.gz GPVNULOACZSSHO-UHFFFAOYSA-N 1 0 245.330 0.998 20 30 BCEDRO C#CC[NH+]1CCC(Nc2ccnc(C#N)n2)CC1 ZINC000895808374 583732663 /nfs/dbraw/zinc/73/26/63/583732663.db2.gz LPYQBJGUFWXCEM-UHFFFAOYSA-N 1 0 241.298 0.280 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCN2CCNC2=O)n1 ZINC000895814188 583733700 /nfs/dbraw/zinc/73/37/00/583733700.db2.gz MBCCJUOPAAJDPD-UHFFFAOYSA-N 1 0 245.286 0.068 20 30 BCEDRO C#CCSCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000895834212 583735522 /nfs/dbraw/zinc/73/55/22/583735522.db2.gz HLNLNITYGOAIHF-SNVBAGLBSA-N 1 0 226.345 0.563 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000895962698 583751824 /nfs/dbraw/zinc/75/18/24/583751824.db2.gz ATZHQMZPNDNFGG-ZFDZMSFRSA-N 1 0 223.316 0.918 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H]1COC2(CCC2)C1 ZINC000895964907 583754079 /nfs/dbraw/zinc/75/40/79/583754079.db2.gz PXPQOIDAFKKYFD-GHMZBOCLSA-N 1 0 209.289 0.672 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)COC(C)=O ZINC000896034728 583764402 /nfs/dbraw/zinc/76/44/02/583764402.db2.gz FSPYLHQWJRFXKG-MWLCHTKSSA-N 1 0 215.293 0.855 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)COC(C)=O)C1 ZINC000896042925 583767024 /nfs/dbraw/zinc/76/70/24/583767024.db2.gz JBJNFXLRZUWDAP-WCQYABFASA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCn2cncc21 ZINC000857981449 588928096 /nfs/dbraw/zinc/92/80/96/588928096.db2.gz DZYAHLGWUNAWFS-SNVBAGLBSA-N 1 0 234.303 0.562 20 30 BCEDRO C#CCSCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000896138700 583775695 /nfs/dbraw/zinc/77/56/95/583775695.db2.gz TYYRXMNLWZMWCS-JTQLQIEISA-N 1 0 240.372 0.952 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cncnc1 ZINC000883400821 583794791 /nfs/dbraw/zinc/79/47/91/583794791.db2.gz WAAIJSXVJSMARS-NSHDSACASA-N 1 0 207.277 0.893 20 30 BCEDRO CN1CC[C@@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000896595840 583816919 /nfs/dbraw/zinc/81/69/19/583816919.db2.gz PTGATJQQTFMRKR-GFCCVEGCSA-N 1 0 216.288 0.747 20 30 BCEDRO CO[N-]C(=O)C[NH2+][C@@H](C)CC(C)(C)C#N ZINC000896923826 583858489 /nfs/dbraw/zinc/85/84/89/583858489.db2.gz IYZPZWNDJXNVEH-QMMMGPOBSA-N 1 0 213.281 0.582 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000858089134 588931542 /nfs/dbraw/zinc/93/15/42/588931542.db2.gz HPFWRZTZYAOYDC-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO C#Cc1ccc(CNC(=O)NC[C@@H](C)[NH3+])cc1 ZINC000841909005 583880044 /nfs/dbraw/zinc/88/00/44/583880044.db2.gz ZXNDITROPJRDOM-SNVBAGLBSA-N 1 0 231.299 0.814 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000841912977 583901058 /nfs/dbraw/zinc/90/10/58/583901058.db2.gz FKGNZVIVIKDHRH-ZJUUUORDSA-N 1 0 225.292 0.497 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@H](O)c1ccnn1C ZINC000897302851 583912306 /nfs/dbraw/zinc/91/23/06/583912306.db2.gz YKBPSMKENZFYPV-PWSUYJOCSA-N 1 0 236.319 0.983 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC000862445314 583962767 /nfs/dbraw/zinc/96/27/67/583962767.db2.gz QHNIHACKFGJRMU-JTQLQIEISA-N 1 0 204.277 0.660 20 30 BCEDRO COc1ccnc(C(C)=NNC2=[NH+]CCN2)c1 ZINC000863119995 583978855 /nfs/dbraw/zinc/97/88/55/583978855.db2.gz KKFMJWDFBKHMNY-UHFFFAOYSA-N 1 0 233.275 0.363 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1[nH]ncc1C ZINC000858335168 588947052 /nfs/dbraw/zinc/94/70/52/588947052.db2.gz MOWWGSYKVCALEW-SNVBAGLBSA-N 1 0 207.277 0.846 20 30 BCEDRO C#CCOc1ccc(C[NH2+]C[C@@H](O)[C@H](C)O)cc1 ZINC000865738019 584028068 /nfs/dbraw/zinc/02/80/68/584028068.db2.gz AQDMASKPKYGXSC-SMDDNHRTSA-N 1 0 249.310 0.530 20 30 BCEDRO C=CCCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897608685 584028884 /nfs/dbraw/zinc/02/88/84/584028884.db2.gz XOPHVMHUNURSIM-LBPRGKRZSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CCSCC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000897846246 584054252 /nfs/dbraw/zinc/05/42/52/584054252.db2.gz XSCFVYVHKBFIDS-WDEREUQCSA-N 1 0 240.372 0.904 20 30 BCEDRO C[C@@]1([NH2+]Cc2csc(C#N)c2)CCNC1=O ZINC000897866740 584055007 /nfs/dbraw/zinc/05/50/07/584055007.db2.gz GEXJMLIDFFOSCM-LLVKDONJSA-N 1 0 235.312 0.988 20 30 BCEDRO C[C@]1([NH2+]Cc2ccc(C#N)cc2)CCNC1=O ZINC000897873869 584056821 /nfs/dbraw/zinc/05/68/21/584056821.db2.gz QJRUDVKAIVOHLA-ZDUSSCGKSA-N 1 0 229.283 0.926 20 30 BCEDRO C#CCSCC(=O)NCC1([NH2+]C)CCC1 ZINC000897896457 584058154 /nfs/dbraw/zinc/05/81/54/584058154.db2.gz QZLKIMDGPMQDOZ-UHFFFAOYSA-N 1 0 226.345 0.611 20 30 BCEDRO COc1ccc2[nH]cc(C=NNC(N)=[NH2+])c2c1 ZINC000730144486 584124762 /nfs/dbraw/zinc/12/47/62/584124762.db2.gz NRDSLBQKRKKQRI-UHFFFAOYSA-N 1 0 231.259 0.993 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898604942 584144772 /nfs/dbraw/zinc/14/47/72/584144772.db2.gz PTMRXCSAUVKEFT-CYBMUJFWSA-N 1 0 238.331 0.620 20 30 BCEDRO C#CCSCC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000899021589 584169828 /nfs/dbraw/zinc/16/98/28/584169828.db2.gz PEIZHGGLJQRVEP-LLVKDONJSA-N 1 0 240.372 0.809 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000899242075 584185731 /nfs/dbraw/zinc/18/57/31/584185731.db2.gz SEBBQXNYOGSSBX-ZJUUUORDSA-N 1 0 211.309 0.799 20 30 BCEDRO C=CCNC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000899242074 584185791 /nfs/dbraw/zinc/18/57/91/584185791.db2.gz SEBBQXNYOGSSBX-VHSXEESVSA-N 1 0 211.309 0.799 20 30 BCEDRO C#CCNC(=O)N[C@@H]1Cc2ccccc2[C@H]1[NH3+] ZINC000899244403 584186424 /nfs/dbraw/zinc/18/64/24/584186424.db2.gz AOWHOYOJHPFORE-VXGBXAGGSA-N 1 0 229.283 0.544 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CCCCC[NH2+]1 ZINC000899249137 584188464 /nfs/dbraw/zinc/18/84/64/584188464.db2.gz UUMBKMHYEWDOIW-SNVBAGLBSA-N 1 0 209.293 0.451 20 30 BCEDRO CNC(NCc1cnn(CCF)c1)=[NH+]C ZINC000899262629 584190380 /nfs/dbraw/zinc/19/03/80/584190380.db2.gz OTVNXCMVTHWOQU-UHFFFAOYSA-N 1 0 213.260 0.147 20 30 BCEDRO CNC(NCC[C@H](N(C)C)C(F)(F)F)=[NH+]C ZINC000899262765 584190494 /nfs/dbraw/zinc/19/04/94/584190494.db2.gz PQZKZDLGYOSDMD-ZETCQYMHSA-N 1 0 240.273 0.664 20 30 BCEDRO CCNC(NC[C@@H](O)c1ccnn1C)=[NH+]CC ZINC000899262865 584190658 /nfs/dbraw/zinc/19/06/58/584190658.db2.gz SUVAPBMQJDHDMD-SNVBAGLBSA-N 1 0 239.323 0.029 20 30 BCEDRO C#CC[C@H]1C(C)=NN(C2CC[NH2+]CC2)C1=O ZINC000899363099 584204405 /nfs/dbraw/zinc/20/44/05/584204405.db2.gz DESWWSGPWFGGIC-NSHDSACASA-N 1 0 219.288 0.596 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@@H](O)CN(C)CCC#N ZINC000899914640 584254406 /nfs/dbraw/zinc/25/44/06/584254406.db2.gz OGCLNVMHBWAWTP-STQMWFEESA-N 1 0 237.347 0.843 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](O)CN(C)CCC#N ZINC000899914637 584254431 /nfs/dbraw/zinc/25/44/31/584254431.db2.gz OGCLNVMHBWAWTP-CHWSQXEVSA-N 1 0 237.347 0.843 20 30 BCEDRO C#CC(=O)N1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000899927103 584255541 /nfs/dbraw/zinc/25/55/41/584255541.db2.gz RLHOSPHKCNUWLU-LBPRGKRZSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CC[C@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000858598219 588970067 /nfs/dbraw/zinc/97/00/67/588970067.db2.gz BTHLFVRPOJTLMI-QMMMGPOBSA-N 1 0 232.291 0.276 20 30 BCEDRO CC#CC[C@@H](CO)Nc1cc[nH+]c(CO)c1 ZINC000858601044 588970250 /nfs/dbraw/zinc/97/02/50/588970250.db2.gz AJYACZWRJCYHHF-NSHDSACASA-N 1 0 220.272 0.760 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCc2n[nH]cc2C1 ZINC000900106069 584275954 /nfs/dbraw/zinc/27/59/54/584275954.db2.gz YDNXIZKNBWAADV-UHFFFAOYSA-N 1 0 248.330 0.802 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CC)CCO ZINC000900146459 584278572 /nfs/dbraw/zinc/27/85/72/584278572.db2.gz AQIFINMHAUIFGO-UHFFFAOYSA-N 1 0 214.309 0.335 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCOC[C@H]1C ZINC000900161521 584281319 /nfs/dbraw/zinc/28/13/19/584281319.db2.gz XHKCMOGNWVPMJY-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO CCN(CC#N)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000900361348 584295917 /nfs/dbraw/zinc/29/59/17/584295917.db2.gz JBUWBMRYWFSXFS-NSHDSACASA-N 1 0 237.303 0.079 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCOCCOC ZINC000900372202 584298389 /nfs/dbraw/zinc/29/83/89/584298389.db2.gz ABSRKQTYMSEDRP-UHFFFAOYSA-N 1 0 244.335 0.274 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900432177 584308918 /nfs/dbraw/zinc/30/89/18/584308918.db2.gz BZAZUMTYORLRES-CMPLNLGQSA-N 1 0 239.319 0.252 20 30 BCEDRO CN(CC#N)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000900452207 584312789 /nfs/dbraw/zinc/31/27/89/584312789.db2.gz MNJBFECYHJVOFW-UHFFFAOYSA-N 1 0 237.303 0.079 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1n[nH]c(C)n1 ZINC000900566374 584326075 /nfs/dbraw/zinc/32/60/75/584326075.db2.gz MHPJVEVZZQIINT-UHFFFAOYSA-N 1 0 223.280 0.560 20 30 BCEDRO C=C1CCN(C(=O)[C@@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900585563 584331949 /nfs/dbraw/zinc/33/19/49/584331949.db2.gz UIPGJJMHIRLZFA-DGCLKSJQSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)C#N ZINC000900651061 584336255 /nfs/dbraw/zinc/33/62/55/584336255.db2.gz UVDWQUUIPAOSOF-VIFPVBQESA-N 1 0 209.293 0.770 20 30 BCEDRO C#CCC(CC#C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000900668162 584337956 /nfs/dbraw/zinc/33/79/56/584337956.db2.gz ZWGXPODYMJIGQD-GFCCVEGCSA-N 1 0 218.300 0.470 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(n2ccnc2)C1 ZINC000900715709 584344624 /nfs/dbraw/zinc/34/46/24/584344624.db2.gz CKQUBMJWXQUMOJ-UHFFFAOYSA-N 1 0 248.330 0.774 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1noc(C)n1 ZINC000900729039 584346492 /nfs/dbraw/zinc/34/64/92/584346492.db2.gz QVPFRIAUKJQWGN-UHFFFAOYSA-N 1 0 238.291 0.502 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900743341 584348439 /nfs/dbraw/zinc/34/84/39/584348439.db2.gz WPUMEWMPSFDOLD-UMNHJUIQSA-N 1 0 226.320 0.522 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC1(O)CCC1 ZINC000900780777 584350210 /nfs/dbraw/zinc/35/02/10/584350210.db2.gz MTGXOVNZBFYTFC-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](OC)C1 ZINC000900956184 584370801 /nfs/dbraw/zinc/37/08/01/584370801.db2.gz VOKCSODAALNNAJ-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901020125 584377255 /nfs/dbraw/zinc/37/72/55/584377255.db2.gz RZSPPEBDZGYMAZ-QXEWZRGKSA-N 1 0 212.293 0.132 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901020124 584377392 /nfs/dbraw/zinc/37/73/92/584377392.db2.gz RZSPPEBDZGYMAZ-NGZCFLSTSA-N 1 0 212.293 0.132 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901020122 584377627 /nfs/dbraw/zinc/37/76/27/584377627.db2.gz RZSPPEBDZGYMAZ-ATZCPNFKSA-N 1 0 212.293 0.132 20 30 BCEDRO COC[C@@](C)(C#N)NC(=O)C[N@H+](C)C1CCC1 ZINC000901052584 584379428 /nfs/dbraw/zinc/37/94/28/584379428.db2.gz QKVOOUYTRDKWJJ-GFCCVEGCSA-N 1 0 239.319 0.516 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CCO)C1CC1 ZINC000901084733 584383133 /nfs/dbraw/zinc/38/31/33/584383133.db2.gz OTYLBYSNWXZOQK-UHFFFAOYSA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC(C)(C)CO ZINC000901146764 584390904 /nfs/dbraw/zinc/39/09/04/584390904.db2.gz XLBCQSGAZHIGPE-UHFFFAOYSA-N 1 0 228.336 0.629 20 30 BCEDRO CCCNC(=S)NN=C(C)c1c[nH]c(N)[nH+]1 ZINC000901154199 584392371 /nfs/dbraw/zinc/39/23/71/584392371.db2.gz PEKHXBSGZLQGSZ-UHFFFAOYSA-N 1 0 240.336 0.590 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCc1ccon1 ZINC000901199643 584398067 /nfs/dbraw/zinc/39/80/67/584398067.db2.gz VHQOQQYJAKNTNQ-UHFFFAOYSA-N 1 0 237.303 0.841 20 30 BCEDRO CC(=NNC1CCOCC1)c1c[nH]c(N)[nH+]1 ZINC000901199021 584398387 /nfs/dbraw/zinc/39/83/87/584398387.db2.gz SBRPWSWBARPZGW-UHFFFAOYSA-N 1 0 223.280 0.485 20 30 BCEDRO C[C@H]1CNC(NN=C2CC3(C2)CO[C@@H](C)C3)=[NH+]1 ZINC000901216376 584401512 /nfs/dbraw/zinc/40/15/12/584401512.db2.gz QPRLQWYDJAYLMU-VTGJNACWSA-N 1 0 236.319 0.869 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]C[C@@H](C)N2)o1 ZINC000901217253 584401935 /nfs/dbraw/zinc/40/19/35/584401935.db2.gz VFTVBYJKWWAPBZ-SSDOTTSWSA-N 1 0 222.248 0.559 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]C[C@H](C)N2)o1 ZINC000901217255 584401991 /nfs/dbraw/zinc/40/19/91/584401991.db2.gz VFTVBYJKWWAPBZ-ZETCQYMHSA-N 1 0 222.248 0.559 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2csc(C#N)c2)N1 ZINC000901216876 584402054 /nfs/dbraw/zinc/40/20/54/584402054.db2.gz SBAQFFQSDIVGCH-ZETCQYMHSA-N 1 0 233.300 0.891 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](CC)[C@H](O)C1 ZINC000901242331 584406719 /nfs/dbraw/zinc/40/67/19/584406719.db2.gz QDSRSFOQZVRRQY-VXGBXAGGSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](O)[C@H](CC)C1 ZINC000901242327 584406856 /nfs/dbraw/zinc/40/68/56/584406856.db2.gz QDSRSFOQZVRRQY-NEPJUHHUSA-N 1 0 240.347 0.724 20 30 BCEDRO CCOc1ccc(C=NNC2=[NH+]CCN2)o1 ZINC000901252460 584410286 /nfs/dbraw/zinc/41/02/86/584410286.db2.gz GKXIIGDROIRQQQ-UHFFFAOYSA-N 1 0 222.248 0.561 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@](C)(CC)CO ZINC000901225414 584412543 /nfs/dbraw/zinc/41/25/43/584412543.db2.gz RGNKLGPAEFSJPX-LBPRGKRZSA-N 1 0 228.336 0.772 20 30 BCEDRO CC(=NOC[C@@H]1CCOC1)c1c[nH]c(N)[nH+]1 ZINC000901228310 584412854 /nfs/dbraw/zinc/41/28/54/584412854.db2.gz WAGRTFKVEWJAIN-MRVPVSSYSA-N 1 0 224.264 0.769 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC[C@H](O)COC ZINC000901268916 584418965 /nfs/dbraw/zinc/41/89/65/584418965.db2.gz QJRAZFPKTYIKBU-NSHDSACASA-N 1 0 244.335 0.008 20 30 BCEDRO CC(=NN[C@@H]1CCCC[C@H]1O)c1c[nH]c(N)[nH+]1 ZINC000901332693 584425382 /nfs/dbraw/zinc/42/53/82/584425382.db2.gz KNECTJLTBVQLHR-PSASIEDQSA-N 1 0 237.307 0.609 20 30 BCEDRO N#CCC[C@H](C#N)C[NH2+]CCO[C@H]1CCOC1 ZINC000901616124 584469794 /nfs/dbraw/zinc/46/97/94/584469794.db2.gz KVDIQLCIICLIJC-NEPJUHHUSA-N 1 0 237.303 0.825 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)c2nccn2C)C1 ZINC000902731481 584662287 /nfs/dbraw/zinc/66/22/87/584662287.db2.gz YPJMJLWYNGQDLQ-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO C[C@@H](NC[C@H](O)C[NH+](C)C)c1cc(C#N)ccn1 ZINC000902796935 584674656 /nfs/dbraw/zinc/67/46/56/584674656.db2.gz WXCSPEOFVATKFB-PWSUYJOCSA-N 1 0 248.330 0.526 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902848786 584681641 /nfs/dbraw/zinc/68/16/41/584681641.db2.gz XSWVOORBUIVHLZ-RKDXNWHRSA-N 1 0 232.287 0.868 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000902894986 584690860 /nfs/dbraw/zinc/69/08/60/584690860.db2.gz QSTDVRNWTPGFJP-ZJUUUORDSA-N 1 0 224.308 0.650 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C ZINC000902929324 584698421 /nfs/dbraw/zinc/69/84/21/584698421.db2.gz SHLOFEZIMOXQOC-LDYMZIIASA-N 1 0 232.287 0.709 20 30 BCEDRO COC[C@@H](CO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902976154 584707421 /nfs/dbraw/zinc/70/74/21/584707421.db2.gz NTTIWJNJGZOKFA-GXSJLCMTSA-N 1 0 235.287 0.611 20 30 BCEDRO C[C@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(C#N)ccn1 ZINC000903041479 584720444 /nfs/dbraw/zinc/72/04/44/584720444.db2.gz KZBLTSYPPGFWPE-INTQDDNPSA-N 1 0 244.298 0.868 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903056956 584722576 /nfs/dbraw/zinc/72/25/76/584722576.db2.gz WCFYCNWTCQMLMH-KISRQWFGSA-N 1 0 223.316 0.936 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903095725 584729258 /nfs/dbraw/zinc/72/92/58/584729258.db2.gz XQVFVCUTLWAKQE-UWVGGRQHSA-N 1 0 224.308 0.793 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cn(C)nn1 ZINC000903095728 584729309 /nfs/dbraw/zinc/72/93/09/584729309.db2.gz XQVFVCUTLWAKQE-ZJUUUORDSA-N 1 0 224.308 0.793 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903132373 584730390 /nfs/dbraw/zinc/73/03/90/584730390.db2.gz PGSVKWILTFDAKI-RWMBFGLXSA-N 1 0 241.331 0.709 20 30 BCEDRO C=CCN1CC[C@@H](N[C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472984 584776008 /nfs/dbraw/zinc/77/60/08/584776008.db2.gz YJJMTNRJKFBROE-VXGBXAGGSA-N 1 0 249.358 0.648 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000903564255 584782005 /nfs/dbraw/zinc/78/20/05/584782005.db2.gz SBKDZTJSEUXXPF-WDEREUQCSA-N 1 0 209.293 0.210 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557439 584783278 /nfs/dbraw/zinc/78/32/78/584783278.db2.gz OHHPVKTYCPODQZ-WDEREUQCSA-N 1 0 237.347 0.442 20 30 BCEDRO C[C@]1(C#N)CN(C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903825094 584804492 /nfs/dbraw/zinc/80/44/92/584804492.db2.gz YEJBGPFTNIPKSR-STQMWFEESA-N 1 0 237.347 0.991 20 30 BCEDRO C[C@@]1(C#N)CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000903825042 584804526 /nfs/dbraw/zinc/80/45/26/584804526.db2.gz XJWWTEOJZVAQMU-NWDGAFQWSA-N 1 0 223.320 0.600 20 30 BCEDRO C[C@@]1(C#N)CN(C[C@H]2CC[NH2+]C2)CCO1 ZINC000903823244 584804695 /nfs/dbraw/zinc/80/46/95/584804695.db2.gz FCNRVIZHHVDILJ-WDEREUQCSA-N 1 0 209.293 0.210 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@]12CC[NH2+]C2 ZINC000903863514 584813025 /nfs/dbraw/zinc/81/30/25/584813025.db2.gz NBOVKZAALDYWRZ-LBPRGKRZSA-N 1 0 223.320 0.117 20 30 BCEDRO COC[C@@H]1C[NH2+]CCN1Cc1ccncc1C#N ZINC000903879959 584816917 /nfs/dbraw/zinc/81/69/17/584816917.db2.gz BRGLEWRDIMPQBO-ZDUSSCGKSA-N 1 0 246.314 0.373 20 30 BCEDRO COC[C@H]1C[NH2+]CCN1Cc1ccc(C#N)o1 ZINC000903882813 584818303 /nfs/dbraw/zinc/81/83/03/584818303.db2.gz QBCSFDWHOAGJGY-SNVBAGLBSA-N 1 0 235.287 0.571 20 30 BCEDRO C[C@@H]1C[NH2+]C[C@H]1NCc1ccc(C#N)o1 ZINC000903964846 584834718 /nfs/dbraw/zinc/83/47/18/584834718.db2.gz SNMYBGWOKXUJQK-LDYMZIIASA-N 1 0 205.261 0.849 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)OCCF ZINC000859172433 589013323 /nfs/dbraw/zinc/01/33/23/589013323.db2.gz NZKPLDVGWVLONT-UHFFFAOYSA-N 1 0 216.256 0.637 20 30 BCEDRO COc1cc(C[NH2+][C@@H]2CNOC2)ccc1C#N ZINC000904424395 584880986 /nfs/dbraw/zinc/88/09/86/584880986.db2.gz RSFOGBXWNSQZIN-LLVKDONJSA-N 1 0 233.271 0.560 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000876916798 584887882 /nfs/dbraw/zinc/88/78/82/584887882.db2.gz GXGPGBAMRVFGJN-SNVBAGLBSA-N 1 0 224.304 0.141 20 30 BCEDRO C#CC1CC[NH+](CCC(=O)NC(=O)NC)CC1 ZINC000830315986 584908216 /nfs/dbraw/zinc/90/82/16/584908216.db2.gz ABCNAZQGOOBPOX-UHFFFAOYSA-N 1 0 237.303 0.177 20 30 BCEDRO CCO[C@@H](CNC(=O)C#CC1CC1)C[NH+](C)C ZINC000831712793 584910640 /nfs/dbraw/zinc/91/06/40/584910640.db2.gz FWYCFAAJXFTPSR-LBPRGKRZSA-N 1 0 238.331 0.483 20 30 BCEDRO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834493392 584913701 /nfs/dbraw/zinc/91/37/01/584913701.db2.gz DFPGFMWTQBHKOU-JMJZKYOTSA-N 1 0 237.303 0.029 20 30 BCEDRO CO[C@@H]1CC(=NNC2=[NH+][C@@H](C)CN2)C12CCC2 ZINC000834971010 584916230 /nfs/dbraw/zinc/91/62/30/584916230.db2.gz SQHIIOILOCCPPO-WCBMZHEXSA-N 1 0 236.319 0.869 20 30 BCEDRO C[N@@H+](CC(=O)NCCC#N)C[C@H]1CCCOC1 ZINC000730808711 584916729 /nfs/dbraw/zinc/91/67/29/584916729.db2.gz OZAPAONJHIJYMF-LLVKDONJSA-N 1 0 239.319 0.375 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000731032543 584921557 /nfs/dbraw/zinc/92/15/57/584921557.db2.gz KEXSXVJPSCIOPC-LBPRGKRZSA-N 1 0 237.347 0.198 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1=NOC[C@@H]1CCOC1 ZINC000788037701 584928249 /nfs/dbraw/zinc/92/82/49/584928249.db2.gz XQRXRUGMBMJYDL-VHSXEESVSA-N 1 0 212.293 0.977 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000732061996 584933570 /nfs/dbraw/zinc/93/35/70/584933570.db2.gz NKXKASBGMXZIAE-OLZOCXBDSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CCNC(=O)C[N@@H+](CCO)CCCCC ZINC000732871768 584941586 /nfs/dbraw/zinc/94/15/86/584941586.db2.gz MYXOLMQNUHJBIK-UHFFFAOYSA-N 1 0 226.320 0.220 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000733345980 584947086 /nfs/dbraw/zinc/94/70/86/584947086.db2.gz AJKBEPYDSIZMIF-RYUDHWBXSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCOc1ccccc1CNC(=O)C[NH+](C)C ZINC000734178113 584958904 /nfs/dbraw/zinc/95/89/04/584958904.db2.gz SXFJANQKRQITFI-UHFFFAOYSA-N 1 0 246.310 0.876 20 30 BCEDRO C#CCCCNC(=O)NC(C)(C)CC[NH3+] ZINC000817877012 584991312 /nfs/dbraw/zinc/99/13/12/584991312.db2.gz ZDNBKUCPCUFVDH-UHFFFAOYSA-N 1 0 211.309 0.826 20 30 BCEDRO CCc1cnc(C=NNC2=[NH+]C[C@@H](C)N2)s1 ZINC000814896941 585015997 /nfs/dbraw/zinc/01/59/97/585015997.db2.gz BCANEUNOSGURJG-SSDOTTSWSA-N 1 0 237.332 0.977 20 30 BCEDRO C[C@@]1(O)CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886033054 585036584 /nfs/dbraw/zinc/03/65/84/585036584.db2.gz RAEHFEFHNOBTIP-VXGBXAGGSA-N 1 0 238.331 0.888 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000838707783 585065839 /nfs/dbraw/zinc/06/58/39/585065839.db2.gz PVYDIIJIFVZJML-LLVKDONJSA-N 1 0 239.319 0.984 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000838707784 585065859 /nfs/dbraw/zinc/06/58/59/585065859.db2.gz PVYDIIJIFVZJML-NSHDSACASA-N 1 0 239.319 0.984 20 30 BCEDRO C=CCONC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000838708380 585066126 /nfs/dbraw/zinc/06/61/26/585066126.db2.gz SZNPDZQIVISFRJ-LLVKDONJSA-N 1 0 239.319 0.982 20 30 BCEDRO C=CCONC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000838713430 585067170 /nfs/dbraw/zinc/06/71/70/585067170.db2.gz OCGAHSACMCHIEV-AOOOYVTPSA-N 1 0 227.308 0.838 20 30 BCEDRO C#CC[NH+](CC#C)CCC(=O)N1CCCC1 ZINC000838862334 585076104 /nfs/dbraw/zinc/07/61/04/585076104.db2.gz TXPSAEZUTNEHKZ-UHFFFAOYSA-N 1 0 218.300 0.567 20 30 BCEDRO C#C[C@H]([NH2+]CCc1cncn1C)[C@H]1CCCO1 ZINC000838936766 585081605 /nfs/dbraw/zinc/08/16/05/585081605.db2.gz OBQXLFSTAIAZRY-QWHCGFSZSA-N 1 0 233.315 0.733 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)C1CC1)[C@@H]1CCCO1 ZINC000838937170 585082102 /nfs/dbraw/zinc/08/21/02/585082102.db2.gz RCFVOPGDUGSSEH-SRVKXCTJSA-N 1 0 209.289 0.528 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CCCN(C=O)CC1 ZINC000839022646 585087798 /nfs/dbraw/zinc/08/77/98/585087798.db2.gz JZJBMBZAOSNEKS-GFCCVEGCSA-N 1 0 208.305 0.952 20 30 BCEDRO C#Cc1ccc(C[N@H+]2CCC[C@@](O)(CO)C2)cc1 ZINC000839153664 585092614 /nfs/dbraw/zinc/09/26/14/585092614.db2.gz GTQLCJWESCAVSX-HNNXBMFYSA-N 1 0 245.322 0.987 20 30 BCEDRO C#Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1 ZINC000839166998 585095447 /nfs/dbraw/zinc/09/54/47/585095447.db2.gz VFQGCKCQJCPWAQ-ZIAGYGMSSA-N 1 0 231.295 0.453 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)c2ccon2)CC1 ZINC000740736367 585106103 /nfs/dbraw/zinc/10/61/03/585106103.db2.gz QOJUOXRDVFZTGZ-UHFFFAOYSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)CSC)CC1 ZINC000740736449 585106171 /nfs/dbraw/zinc/10/61/71/585106171.db2.gz UPNRDTWBFIRXJP-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO CC(C)OCCC[N@H+](C)CC(=O)NCCC#N ZINC000740884596 585108124 /nfs/dbraw/zinc/10/81/24/585108124.db2.gz VRQYSCZGTLANQN-UHFFFAOYSA-N 1 0 241.335 0.763 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2nccn2C)CC1 ZINC000741261471 585112089 /nfs/dbraw/zinc/11/20/89/585112089.db2.gz PQULQTGWPMLIDR-UHFFFAOYSA-N 1 0 248.330 0.800 20 30 BCEDRO CC[N@@H+]1CCC(=NNC(=S)NC)[C@H](C)C1 ZINC000741451995 585114015 /nfs/dbraw/zinc/11/40/15/585114015.db2.gz TVGHRNHFPKIGGO-MRVPVSSYSA-N 1 0 228.365 0.798 20 30 BCEDRO NC(=[NH2+])NN=Cc1c[nH]c(-c2ccccc2)n1 ZINC000741451597 585114063 /nfs/dbraw/zinc/11/40/63/585114063.db2.gz SNAPKEQPORLXQO-UHFFFAOYSA-N 1 0 228.259 0.894 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H](CC#C)C1 ZINC000886365582 585134802 /nfs/dbraw/zinc/13/48/02/585134802.db2.gz LQLYHRXKDFOXOV-LBPRGKRZSA-N 1 0 218.300 0.471 20 30 BCEDRO C#CCCCNC(=O)NCCC[NH+](C)C ZINC000745254551 585158023 /nfs/dbraw/zinc/15/80/23/585158023.db2.gz ZQZILUZPIUSKOB-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO C#CC[N@@H+](CC)Cc1ccn(C)c(=O)c1 ZINC000746457080 585168498 /nfs/dbraw/zinc/16/84/98/585168498.db2.gz WGTSEJZDEZSQBT-UHFFFAOYSA-N 1 0 204.273 0.840 20 30 BCEDRO C=C(C)CN1CC[NH+](CCCCO)CC1 ZINC000746483215 585168952 /nfs/dbraw/zinc/16/89/52/585168952.db2.gz AIVHTCKWQHDUMX-UHFFFAOYSA-N 1 0 212.337 0.953 20 30 BCEDRO CCOC[C@@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000747966963 585186520 /nfs/dbraw/zinc/18/65/20/585186520.db2.gz PQZOWLXJLIUUOV-LLVKDONJSA-N 1 0 239.319 0.375 20 30 BCEDRO NC(=[NH2+])NN=C(CO)c1ccc(F)cc1F ZINC000749613362 585204389 /nfs/dbraw/zinc/20/43/89/585204389.db2.gz YEFJMDNWQRWZCE-UHFFFAOYSA-N 1 0 228.202 0.144 20 30 BCEDRO CNC(NCc1cccc(C(=O)N(C)C)c1)=[NH+]C ZINC000750542090 585217159 /nfs/dbraw/zinc/21/71/59/585217159.db2.gz XEXUHBGBHWSSQW-UHFFFAOYSA-N 1 0 248.330 0.683 20 30 BCEDRO C[C@H](CO)N[NH+]=Cc1ccc2c(c1)CCN2C ZINC000752733656 585249336 /nfs/dbraw/zinc/24/93/36/585249336.db2.gz YLGSHFQPBUVXLD-SNVBAGLBSA-N 1 0 233.315 0.983 20 30 BCEDRO C#CCOCCNC(=O)Nc1ccncc1C ZINC000752773351 585249929 /nfs/dbraw/zinc/24/99/29/585249929.db2.gz KUZOGTFVTZJSQR-UHFFFAOYSA-N 1 0 233.271 0.583 20 30 BCEDRO C#CCOCCNC(=O)Nc1cc(C)ncc1C ZINC000752772457 585249982 /nfs/dbraw/zinc/24/99/82/585249982.db2.gz DMAHPCPRXUYREP-UHFFFAOYSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CCCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000752858253 585250929 /nfs/dbraw/zinc/25/09/29/585250929.db2.gz ZFCPZYKTWPVNMG-UHFFFAOYSA-N 1 0 249.358 0.250 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cncn1C ZINC000752953685 585251900 /nfs/dbraw/zinc/25/19/00/585251900.db2.gz OOUGXRCTXATFKD-UHFFFAOYSA-N 1 0 222.292 0.154 20 30 BCEDRO C#CCOCCNC(=O)NCC[NH+](CC)CC ZINC000753068506 585252913 /nfs/dbraw/zinc/25/29/13/585252913.db2.gz SFABGYNQPPULNR-UHFFFAOYSA-N 1 0 241.335 0.277 20 30 BCEDRO C#CC[N@H+](CCN1CCOCC1)CC1CC1 ZINC000753203150 585255284 /nfs/dbraw/zinc/25/52/84/585255284.db2.gz CJAWZFQIAYIJCX-UHFFFAOYSA-N 1 0 222.332 0.664 20 30 BCEDRO C#CCOCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000753227836 585255617 /nfs/dbraw/zinc/25/56/17/585255617.db2.gz PHBKHRVCRJFBRD-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NOCCCOC ZINC000805038292 585256679 /nfs/dbraw/zinc/25/66/79/585256679.db2.gz ZIUDOMZDCZBVEY-UHFFFAOYSA-N 1 0 216.281 0.189 20 30 BCEDRO C#CC(=O)NCCC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000753908171 585271978 /nfs/dbraw/zinc/27/19/78/585271978.db2.gz XLGYMUSILGZXFN-PHIMTYICSA-N 1 0 224.304 0.235 20 30 BCEDRO Cn1nccc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753930633 585272162 /nfs/dbraw/zinc/27/21/62/585272162.db2.gz VXNCSQLNVRJKKY-QWRGUYRKSA-N 1 0 246.318 0.614 20 30 BCEDRO Cn1nccc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753930170 585272253 /nfs/dbraw/zinc/27/22/53/585272253.db2.gz VXNCSQLNVRJKKY-GHMZBOCLSA-N 1 0 246.318 0.614 20 30 BCEDRO C#CC(=O)N(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000754027184 585275767 /nfs/dbraw/zinc/27/57/67/585275767.db2.gz GKKTZZYXVPUCLR-ZDUSSCGKSA-N 1 0 249.358 0.247 20 30 BCEDRO C#CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000754045568 585276220 /nfs/dbraw/zinc/27/62/20/585276220.db2.gz JYSJBDMMRMMDBM-LLVKDONJSA-N 1 0 206.289 0.564 20 30 BCEDRO C#CC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000754067528 585277141 /nfs/dbraw/zinc/27/71/41/585277141.db2.gz ZWQQRRDZVYNFNN-UHFFFAOYSA-N 1 0 203.245 0.715 20 30 BCEDRO C#CC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000754068268 585277422 /nfs/dbraw/zinc/27/74/22/585277422.db2.gz DSGNATBDHBBLOL-NSHDSACASA-N 1 0 208.305 0.714 20 30 BCEDRO CC(C)N1CC(=[NH+]n2cnnc2)[C@H](C)C1 ZINC000754256135 585281308 /nfs/dbraw/zinc/28/13/08/585281308.db2.gz URJJZUNGENFOJI-SECBINFHSA-N 1 0 207.281 0.842 20 30 BCEDRO CC[C@H]([NH2+]CC(=O)NCCC#N)[C@@H]1CCCO1 ZINC000754522222 585285612 /nfs/dbraw/zinc/28/56/12/585285612.db2.gz YHJJYEDGAGXOGM-QWRGUYRKSA-N 1 0 239.319 0.563 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C1([NH+](C)C)CCC1 ZINC000754683369 585289341 /nfs/dbraw/zinc/28/93/41/585289341.db2.gz VTIDSNGGVUMIAZ-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCOCCC(=O)NCCC[NH+](C)C ZINC000755382504 585298626 /nfs/dbraw/zinc/29/86/26/585298626.db2.gz UBLSUZWXWMHVIR-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO Cn1c(C=NNC(N)=[NH2+])nc2ccccc21 ZINC000755633655 585302837 /nfs/dbraw/zinc/30/28/37/585302837.db2.gz LNZAQHGHPVEIGM-UHFFFAOYSA-N 1 0 216.248 0.390 20 30 BCEDRO CCCn1nc(C)c(C=NNC(N)=[NH2+])c1C ZINC000755631872 585302871 /nfs/dbraw/zinc/30/28/71/585302871.db2.gz CBFOJNIUUMYBGS-UHFFFAOYSA-N 1 0 222.296 0.727 20 30 BCEDRO C#CCOCCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000755929548 585311018 /nfs/dbraw/zinc/31/10/18/585311018.db2.gz FZIYSLZUZZFIBZ-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCOCCC(=O)NCCNc1cc[nH+]cc1 ZINC000756759924 585322901 /nfs/dbraw/zinc/32/29/01/585322901.db2.gz UVFHDLZPPRZXGU-UHFFFAOYSA-N 1 0 247.298 0.072 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000756902971 585325101 /nfs/dbraw/zinc/32/51/01/585325101.db2.gz XQZDWPRTGSVXTD-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(=O)OC)[C@@H]1CCCO1 ZINC000839565259 585330439 /nfs/dbraw/zinc/33/04/39/585330439.db2.gz WCZJBRXIHLNZGV-ZJUUUORDSA-N 1 0 211.261 0.320 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCCNC1=O)[C@H]1CCCO1 ZINC000839563303 585331308 /nfs/dbraw/zinc/33/13/08/585331308.db2.gz HAVRUUQUNJYMJX-HBNTYKKESA-N 1 0 222.288 0.035 20 30 BCEDRO C=CCC[C@H](CO)NC(=S)NCC[NH+](C)C ZINC000840824735 585331686 /nfs/dbraw/zinc/33/16/86/585331686.db2.gz NRBWCBWZENGCJM-SNVBAGLBSA-N 1 0 245.392 0.339 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000839656753 585333758 /nfs/dbraw/zinc/33/37/58/585333758.db2.gz XGYLGDQONCVPFG-JTQLQIEISA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000839637712 585334954 /nfs/dbraw/zinc/33/49/54/585334954.db2.gz YBPXVSWJPLKKNO-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@](C)(OC)C1CC1 ZINC000839638347 585335053 /nfs/dbraw/zinc/33/50/53/585335053.db2.gz HTXDKICEHDPACU-MFKMUULPSA-N 1 0 238.331 0.529 20 30 BCEDRO C[N@@H+]1CCCC(=NN2CCOCC2)CC1 ZINC000758094827 585348964 /nfs/dbraw/zinc/34/89/64/585348964.db2.gz SIZRAPRMEHNSOL-UHFFFAOYSA-N 1 0 211.309 0.790 20 30 BCEDRO CC(C)(C)c1noc(C=NNC(N)=[NH2+])n1 ZINC000758103545 585349279 /nfs/dbraw/zinc/34/92/79/585349279.db2.gz JARPHPGOXIPJES-UHFFFAOYSA-N 1 0 210.241 0.184 20 30 BCEDRO C#CCNC(=S)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000758199124 585351604 /nfs/dbraw/zinc/35/16/04/585351604.db2.gz WAJFSTZGGJMVIF-JTQLQIEISA-N 1 0 225.361 0.426 20 30 BCEDRO C#CCNC(=S)NC[C@H](CC)[NH+]1CCCC1 ZINC000758193806 585351624 /nfs/dbraw/zinc/35/16/24/585351624.db2.gz SUPRDWYGULDRKC-NSHDSACASA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCNC(=S)NC[C@H]1CC[N@@H+](CC)C1 ZINC000758199126 585351632 /nfs/dbraw/zinc/35/16/32/585351632.db2.gz WAJFSTZGGJMVIF-SNVBAGLBSA-N 1 0 225.361 0.426 20 30 BCEDRO C#CCNC(=S)NC[C@@H](C)[NH+](CC)CC ZINC000758193299 585351698 /nfs/dbraw/zinc/35/16/98/585351698.db2.gz WJYAPQZXBIAKNU-SNVBAGLBSA-N 1 0 227.377 0.814 20 30 BCEDRO C#CCNC(=S)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000758209952 585351734 /nfs/dbraw/zinc/35/17/34/585351734.db2.gz NVIWFZYORGGCRC-LLVKDONJSA-N 1 0 239.388 0.816 20 30 BCEDRO C#CCNC(=S)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000758247837 585352857 /nfs/dbraw/zinc/35/28/57/585352857.db2.gz SBTPFGJMWKUEBJ-GHMZBOCLSA-N 1 0 239.388 0.909 20 30 BCEDRO C[C@H]1CC(O)C[C@H](C)[NH+]1CC(=O)NCCC#N ZINC000759493253 585373842 /nfs/dbraw/zinc/37/38/42/585373842.db2.gz YBCSYHKSJJFWBO-UWVGGRQHSA-N 1 0 239.319 0.250 20 30 BCEDRO C[C@@H](C#N)OC(=O)[C@H](C)N1CCSCC1 ZINC000759808272 585380786 /nfs/dbraw/zinc/38/07/86/585380786.db2.gz FESKLVJTBJPYSB-IUCAKERBSA-N 1 0 228.317 0.879 20 30 BCEDRO Fc1cnc(N=NCc2c[nH]cn2)nc1 ZINC000760254258 585387596 /nfs/dbraw/zinc/38/75/96/585387596.db2.gz NJCKCRYVOQEKAW-UHFFFAOYSA-N 1 0 206.184 0.785 20 30 BCEDRO C#CCCCC(=O)N(CCOC)CC[NH+](C)C ZINC000760276727 585388613 /nfs/dbraw/zinc/38/86/13/585388613.db2.gz LGLPSXUOYICWGV-UHFFFAOYSA-N 1 0 240.347 0.827 20 30 BCEDRO C#CCCCC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000760392291 585391730 /nfs/dbraw/zinc/39/17/30/585391730.db2.gz GWQNXNDIGFTPOD-UHFFFAOYSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CCC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000760886418 585401204 /nfs/dbraw/zinc/40/12/04/585401204.db2.gz CLPRTKRJPPIEIX-UHFFFAOYSA-N 1 0 231.303 0.751 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[N@H+](C)[C@H](C)C1 ZINC000761074536 585405490 /nfs/dbraw/zinc/40/54/90/585405490.db2.gz XGBJGWNFDQQURN-GHMZBOCLSA-N 1 0 225.336 0.313 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761081015 585406463 /nfs/dbraw/zinc/40/64/63/585406463.db2.gz LMMVLLBLUFPSJM-VXGBXAGGSA-N 1 0 212.337 0.949 20 30 BCEDRO C[C@@H]1CC(N=NC2CCOCC2)C[N@@H+]1C ZINC000761818959 585419355 /nfs/dbraw/zinc/41/93/55/585419355.db2.gz UPLKPQIQPJYQCE-SECBINFHSA-N 1 0 211.309 0.835 20 30 BCEDRO C[NH+](C)C1(C(=O)Nc2cnn(CC#N)c2)CCC1 ZINC000763030154 585442025 /nfs/dbraw/zinc/44/20/25/585442025.db2.gz ORZQVACVEOMVHW-UHFFFAOYSA-N 1 0 247.302 0.829 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CO)C1CC1 ZINC000763064957 585442740 /nfs/dbraw/zinc/44/27/40/585442740.db2.gz FPSZZBXKMVFISL-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO CCOc1cccc(C=NNC(N)=[NH2+])n1 ZINC000763107437 585443342 /nfs/dbraw/zinc/44/33/42/585443342.db2.gz XVPQMKYLMSMHHC-UHFFFAOYSA-N 1 0 207.237 0.297 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cccnc1 ZINC000763899914 585456402 /nfs/dbraw/zinc/45/64/02/585456402.db2.gz VFGDHBQVPRGIQK-UHFFFAOYSA-N 1 0 219.288 0.816 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccc(OC)nc1 ZINC000764044951 585459028 /nfs/dbraw/zinc/45/90/28/585459028.db2.gz WTYCDDDSSUQWOH-UHFFFAOYSA-N 1 0 249.314 0.824 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C(=O)OC ZINC000764153017 585460840 /nfs/dbraw/zinc/46/08/40/585460840.db2.gz SIWLSYNYWYQIPN-JTQLQIEISA-N 1 0 240.303 0.268 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCCCOC ZINC000764291607 585463432 /nfs/dbraw/zinc/46/34/32/585463432.db2.gz WOZLCKJBKPKRGC-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cnn(C)c1 ZINC000764424895 585465474 /nfs/dbraw/zinc/46/54/74/585465474.db2.gz HXVWIXKUJSWYSG-UHFFFAOYSA-N 1 0 222.292 0.154 20 30 BCEDRO CC#CC(=O)NC1CC[NH+](CCOC)CC1 ZINC000764441900 585465757 /nfs/dbraw/zinc/46/57/57/585465757.db2.gz KEJXRAAFPNPUTG-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](COC)C1 ZINC000764507346 585467049 /nfs/dbraw/zinc/46/70/49/585467049.db2.gz MFLHMDMMVVBRJG-GFCCVEGCSA-N 1 0 240.347 0.989 20 30 BCEDRO CC#CC(=O)N(C)CCCN1CC[NH+](C)CC1 ZINC000764508230 585467165 /nfs/dbraw/zinc/46/71/65/585467165.db2.gz TXLGVOLXLQOVBU-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000764576571 585468073 /nfs/dbraw/zinc/46/80/73/585468073.db2.gz RXWBJKGRPPZUFE-GFCCVEGCSA-N 1 0 239.363 0.657 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1C[C@H](C)O ZINC000764625591 585469424 /nfs/dbraw/zinc/46/94/24/585469424.db2.gz MHMDQEWBQXTRFG-NWDGAFQWSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@H](O)CC ZINC000764630421 585469484 /nfs/dbraw/zinc/46/94/84/585469484.db2.gz GNSMSVQSNZAQDX-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)CO ZINC000764634711 585469595 /nfs/dbraw/zinc/46/95/95/585469595.db2.gz XSPOKDAYJSJJLO-VHSXEESVSA-N 1 0 214.309 0.237 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000764683781 585471061 /nfs/dbraw/zinc/47/10/61/585471061.db2.gz KEXHSCXHZSXJGO-NSHDSACASA-N 1 0 235.331 0.888 20 30 BCEDRO C=CCNC(=S)NN=C1CC[N@@H+]2CCC[C@H]12 ZINC000765552905 585489694 /nfs/dbraw/zinc/48/96/94/585489694.db2.gz GKGVZZUVQGBJJP-SNVBAGLBSA-N 1 0 238.360 0.861 20 30 BCEDRO C#CCNC(=O)CN1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000766254324 585499411 /nfs/dbraw/zinc/49/94/11/585499411.db2.gz OROQCERKUPQOPK-VXGBXAGGSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1ccccn1 ZINC000766736602 585507277 /nfs/dbraw/zinc/50/72/77/585507277.db2.gz ZAXJGSUJWLFKOH-NSHDSACASA-N 1 0 231.299 0.872 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000805335015 585508472 /nfs/dbraw/zinc/50/84/72/585508472.db2.gz NJJAMJMIZVERQK-NWDGAFQWSA-N 1 0 238.331 0.620 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](C)CO)CC1 ZINC000766896099 585509816 /nfs/dbraw/zinc/50/98/16/585509816.db2.gz PELHYDPGNLBVTI-LLVKDONJSA-N 1 0 238.331 0.076 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](C[C@H](C)CO)CC1 ZINC000766896101 585510065 /nfs/dbraw/zinc/51/00/65/585510065.db2.gz PELHYDPGNLBVTI-NSHDSACASA-N 1 0 238.331 0.076 20 30 BCEDRO C#CCCC[N@@H+](CCO)CCN1CCOCC1 ZINC000766902383 585510081 /nfs/dbraw/zinc/51/00/81/585510081.db2.gz HRVORUYILVUDHT-UHFFFAOYSA-N 1 0 240.347 0.026 20 30 BCEDRO C#CCCC[N@@H+]1CCn2c(C)nnc2C1 ZINC000766899935 585510447 /nfs/dbraw/zinc/51/04/47/585510447.db2.gz ZQGLRZWWGSWYAY-UHFFFAOYSA-N 1 0 204.277 0.816 20 30 BCEDRO C#CCCC[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000766905398 585511338 /nfs/dbraw/zinc/51/13/38/585511338.db2.gz LQLBOLWJKWNCQA-UHFFFAOYSA-N 1 0 237.347 0.281 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000766915275 585511403 /nfs/dbraw/zinc/51/14/03/585511403.db2.gz BRTVHRCAZUALTE-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO CN1C(=O)CN(N=C2CCC[N@H+](C)CC2)C1=O ZINC000768380392 585537351 /nfs/dbraw/zinc/53/73/51/585537351.db2.gz REXOCVFMGGVBNO-UHFFFAOYSA-N 1 0 238.291 0.352 20 30 BCEDRO C#CCCNC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000770015089 585569367 /nfs/dbraw/zinc/56/93/67/585569367.db2.gz HMGXMIZPZUBCBK-QWRGUYRKSA-N 1 0 239.319 0.028 20 30 BCEDRO C[C@H]1CC(=NN2C(=O)CNC2=O)CN1C1CC1 ZINC000770619231 585577736 /nfs/dbraw/zinc/57/77/36/585577736.db2.gz XWYZPXVYHOPZTF-ZETCQYMHSA-N 1 0 236.275 0.151 20 30 BCEDRO CN(CC[N@H+](C)C1CC1)CC(=O)NCCC#N ZINC000770684497 585579653 /nfs/dbraw/zinc/57/96/53/585579653.db2.gz DVVFNTUJJJOMQZ-UHFFFAOYSA-N 1 0 238.335 0.042 20 30 BCEDRO CC[N@@H+]1CCC(=NOCC(N)=O)[C@@H](C)C1 ZINC000771570895 585596672 /nfs/dbraw/zinc/59/66/72/585596672.db2.gz JLRPPXWULASYJM-QMMMGPOBSA-N 1 0 213.281 0.206 20 30 BCEDRO CC(C)(C)[NH+]1CCC(=NOCC(N)=O)CC1 ZINC000771579370 585597379 /nfs/dbraw/zinc/59/73/79/585597379.db2.gz OALBTRQWKPKHFD-UHFFFAOYSA-N 1 0 227.308 0.739 20 30 BCEDRO C=CCCOC(=O)[C@@H]1CN(CC)CCO1 ZINC000805471411 585623987 /nfs/dbraw/zinc/62/39/87/585623987.db2.gz IXNARYSFCROGNA-JTQLQIEISA-N 1 0 213.277 0.826 20 30 BCEDRO C#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000772882409 585626304 /nfs/dbraw/zinc/62/63/04/585626304.db2.gz WIQIUICBWHGDAW-GRYCIOLGSA-N 1 0 236.315 0.235 20 30 BCEDRO C#C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000772882416 585626392 /nfs/dbraw/zinc/62/63/92/585626392.db2.gz WIQIUICBWHGDAW-SRVKXCTJSA-N 1 0 236.315 0.235 20 30 BCEDRO C#CCCC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000773482244 585637955 /nfs/dbraw/zinc/63/79/55/585637955.db2.gz KHKLRMDIDNXHQG-ZDUSSCGKSA-N 1 0 222.332 0.806 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000773596315 585641436 /nfs/dbraw/zinc/64/14/36/585641436.db2.gz AYEDJZBCSVQBND-DCAQKATOSA-N 1 0 223.320 0.790 20 30 BCEDRO CON=CC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000773727735 585643020 /nfs/dbraw/zinc/64/30/20/585643020.db2.gz NARZSPVIPXRNCU-UHFFFAOYSA-N 1 0 227.308 0.419 20 30 BCEDRO CON=CC(=O)N1CCC([NH+](C)C)CC1 ZINC000773959784 585647264 /nfs/dbraw/zinc/64/72/64/585647264.db2.gz VZDGNWRMVPFFCH-UHFFFAOYSA-N 1 0 213.281 0.171 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](C)[C@H]1C ZINC000774065568 585649561 /nfs/dbraw/zinc/64/95/61/585649561.db2.gz PDOFLDBADBIMOC-MNOVXSKESA-N 1 0 226.320 0.740 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)C(=O)N(C)CC ZINC000774094639 585650140 /nfs/dbraw/zinc/65/01/40/585650140.db2.gz FQSYNVOLSXWPPB-JTQLQIEISA-N 1 0 241.335 0.087 20 30 BCEDRO CON=CC(=O)NCC[N@@H+]1CCCC[C@H]1C ZINC000774377438 585657254 /nfs/dbraw/zinc/65/72/54/585657254.db2.gz UMGVOBYKQCGGJE-SNVBAGLBSA-N 1 0 227.308 0.609 20 30 BCEDRO CON=CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000774404735 585657438 /nfs/dbraw/zinc/65/74/38/585657438.db2.gz UMWFWAAHWOZTCW-GHMZBOCLSA-N 1 0 241.335 0.855 20 30 BCEDRO C=CC[N@@H+](CC(=O)N(C)OC)C(C)C ZINC000774557142 585661202 /nfs/dbraw/zinc/66/12/02/585661202.db2.gz ASPOJHORJCFRHZ-UHFFFAOYSA-N 1 0 200.282 0.903 20 30 BCEDRO C#C[C@H]([NH2+]Cc1cnn(C)c1C)[C@@H]1CCCO1 ZINC000775352962 585676309 /nfs/dbraw/zinc/67/63/09/585676309.db2.gz YTYGBVQTPSDVKR-STQMWFEESA-N 1 0 233.315 0.999 20 30 BCEDRO C#CC[C@@H]([NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC000775399708 585677577 /nfs/dbraw/zinc/67/75/77/585677577.db2.gz TVVUNDZEXVKULF-LLVKDONJSA-N 1 0 245.282 0.536 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@H](CO)CC(C)C ZINC000775753225 585684105 /nfs/dbraw/zinc/68/41/05/585684105.db2.gz FYANTRAMUXMBHD-NSHDSACASA-N 1 0 226.320 0.075 20 30 BCEDRO C#CCC[N@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000775776514 585684613 /nfs/dbraw/zinc/68/46/13/585684613.db2.gz IGFRREOXDQECTP-UHFFFAOYSA-N 1 0 203.245 0.564 20 30 BCEDRO C#C[C@@H]([NH2+]CCn1ccnc1C)[C@@H]1CCCO1 ZINC000775789920 585685020 /nfs/dbraw/zinc/68/50/20/585685020.db2.gz FEUCRPMKTKNIOZ-OLZOCXBDSA-N 1 0 233.315 0.962 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)[C@@H]1CCCO1 ZINC000775801202 585685547 /nfs/dbraw/zinc/68/55/47/585685547.db2.gz WRJORBDMMWAUDM-TUAOUCFPSA-N 1 0 236.315 0.378 20 30 BCEDRO C[C@@H](CO)N[NH+]=Cc1cnccc1N(C)C ZINC000776187436 585692135 /nfs/dbraw/zinc/69/21/35/585692135.db2.gz HVJZVARTAUSCAN-VIFPVBQESA-N 1 0 222.292 0.452 20 30 BCEDRO C#C[C@@H]([NH2+]CCS(=O)(=O)CC)C(C)C ZINC000300851141 585698887 /nfs/dbraw/zinc/69/88/87/585698887.db2.gz FGMRLCOFRYTFLD-SNVBAGLBSA-N 1 0 217.334 0.669 20 30 BCEDRO C#C[C@H]([NH2+]CCS(=O)(=O)CC)C(C)C ZINC000300851140 585698916 /nfs/dbraw/zinc/69/89/16/585698916.db2.gz FGMRLCOFRYTFLD-JTQLQIEISA-N 1 0 217.334 0.669 20 30 BCEDRO C#CCCC[N@@H+](C)CCNC(=O)N(C)C ZINC000777716904 585718797 /nfs/dbraw/zinc/71/87/97/585718797.db2.gz QHTBQOFFEHGACQ-UHFFFAOYSA-N 1 0 211.309 0.603 20 30 BCEDRO C=C(C)CN(C)C(=S)NCC[NH+](C)C ZINC000777918034 585723592 /nfs/dbraw/zinc/72/35/92/585723592.db2.gz HVEPIZUPJDXFFH-UHFFFAOYSA-N 1 0 215.366 0.930 20 30 BCEDRO C#CCNC(=O)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000778247763 585729498 /nfs/dbraw/zinc/72/94/98/585729498.db2.gz XTMDRMNKXORASZ-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO CCn1nc(C)c(C=NNC2=[NH+]C[C@@H](C)N2)c1C ZINC000779785066 585763063 /nfs/dbraw/zinc/76/30/63/585763063.db2.gz NKDOJQDWPSXYKI-MRVPVSSYSA-N 1 0 248.334 0.791 20 30 BCEDRO C[C@@H]1CNC(NN=C2CN(C3CC3)C[C@@H]2C)=[NH+]1 ZINC000779786483 585763227 /nfs/dbraw/zinc/76/32/27/585763227.db2.gz RFOOVOGDFKWONB-DTWKUNHWSA-N 1 0 235.335 0.394 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cscn1 ZINC000779792349 585763701 /nfs/dbraw/zinc/76/37/01/585763701.db2.gz QTTLJOYVRUAFQV-ZCFIWIBFSA-N 1 0 223.305 0.804 20 30 BCEDRO COc1cccc(O)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779792326 585763733 /nfs/dbraw/zinc/76/37/33/585763733.db2.gz LJPGTHPKLJBXSZ-QMMMGPOBSA-N 1 0 248.286 0.672 20 30 BCEDRO Cc1ccc(O)c(C=NNC2=[NH+]C[C@H](C)N2)c1 ZINC000779792043 585763761 /nfs/dbraw/zinc/76/37/61/585763761.db2.gz NVYCLUHVXOYHKP-VIFPVBQESA-N 1 0 232.287 0.972 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnc3ccccn23)N1 ZINC000779793227 585763968 /nfs/dbraw/zinc/76/39/68/585763968.db2.gz YCXCSDPWHNOFDM-VIFPVBQESA-N 1 0 242.286 0.606 20 30 BCEDRO Cc1nc(C=NNC2=[NH+]C[C@@H](C)N2)cs1 ZINC000779793290 585764047 /nfs/dbraw/zinc/76/40/47/585764047.db2.gz RVOWUAYWFPECEJ-ZCFIWIBFSA-N 1 0 223.305 0.723 20 30 BCEDRO COc1cccc(C=NNC2=[NH+]C[C@H](C)N2)c1O ZINC000779793252 585764089 /nfs/dbraw/zinc/76/40/89/585764089.db2.gz YQXSPRISEJSFQB-QMMMGPOBSA-N 1 0 248.286 0.672 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cc(F)ccc2O)N1 ZINC000779794272 585764501 /nfs/dbraw/zinc/76/45/01/585764501.db2.gz GACDRDGGGJWCDK-SSDOTTSWSA-N 1 0 236.250 0.803 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cccnc1 ZINC000779799379 585764702 /nfs/dbraw/zinc/76/47/02/585764702.db2.gz KKFNSSMPWGIQHO-MRVPVSSYSA-N 1 0 217.276 0.743 20 30 BCEDRO COC(=O)c1ccc(C=NNC2=[NH+]C[C@H](C)N2)[nH]1 ZINC000779800408 585764760 /nfs/dbraw/zinc/76/47/60/585764760.db2.gz YVWXLQDEQXNRTM-ZETCQYMHSA-N 1 0 249.274 0.073 20 30 BCEDRO CC(C)n1cc(C=NNC2=[NH+]C[C@H](C)N2)cn1 ZINC000779800858 585764799 /nfs/dbraw/zinc/76/47/99/585764799.db2.gz QTELMDBVMXDOJG-VIFPVBQESA-N 1 0 234.307 0.735 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccccc2)N1 ZINC000779803410 585764936 /nfs/dbraw/zinc/76/49/36/585764936.db2.gz QXZHJZMZGPKUAT-SECBINFHSA-N 1 0 202.261 0.958 20 30 BCEDRO C#C[C@H]([NH2+]CCc1cn(C)nn1)[C@@H]1CCCO1 ZINC000859258873 589025258 /nfs/dbraw/zinc/02/52/58/589025258.db2.gz VPRVVIBQZSPGLE-RYUDHWBXSA-N 1 0 234.303 0.128 20 30 BCEDRO CC[NH+](CC)CC(=O)NCc1ccc(C#N)cn1 ZINC000782019603 585806842 /nfs/dbraw/zinc/80/68/42/585806842.db2.gz YNWCTBWQAZSHPA-UHFFFAOYSA-N 1 0 246.314 0.911 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CO)c1ccccc1 ZINC000782051770 585807380 /nfs/dbraw/zinc/80/73/80/585807380.db2.gz CZJVOIKIGWBAOI-GFCCVEGCSA-N 1 0 232.283 0.059 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000782083265 585807657 /nfs/dbraw/zinc/80/76/57/585807657.db2.gz QMNCZUSLLDGVSP-LBPRGKRZSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)c1cnccc1C ZINC000782999642 585826740 /nfs/dbraw/zinc/82/67/40/585826740.db2.gz QWWLIKJPWZSDNJ-LLVKDONJSA-N 1 0 231.299 0.790 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@@H]1CCCO1 ZINC000783861297 585845015 /nfs/dbraw/zinc/84/50/15/585845015.db2.gz DJZAFCIGNXQQEM-APPZFPTMSA-N 1 0 210.281 0.479 20 30 BCEDRO COCC#CC[NH+]1CCC2(COC(=O)N2)CC1 ZINC000784457136 585860511 /nfs/dbraw/zinc/86/05/11/585860511.db2.gz YNLWNUFWWGXORY-UHFFFAOYSA-N 1 0 238.287 0.211 20 30 BCEDRO C#CCCN(CC(F)(F)F)C(=O)C[NH+](C)C ZINC000785422025 585873206 /nfs/dbraw/zinc/87/32/06/585873206.db2.gz ZEJAVBUGHIDXGI-UHFFFAOYSA-N 1 0 236.237 0.962 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1ccnc(N)c1)[C@H]1CCCO1 ZINC000785814406 585881269 /nfs/dbraw/zinc/88/12/69/585881269.db2.gz NBGSCCTVGWTUAI-VXGBXAGGSA-N 1 0 231.299 0.934 20 30 BCEDRO C=CCC[N@@H+](C)CN1C[C@H](C(=O)OC)CC1=O ZINC000786100573 585887104 /nfs/dbraw/zinc/88/71/04/585887104.db2.gz BYRHXRRSNRKORK-SNVBAGLBSA-N 1 0 240.303 0.473 20 30 BCEDRO C=CCCN(C)Cn1cc(C(=O)OC)nn1 ZINC000786101761 585887531 /nfs/dbraw/zinc/88/75/31/585887531.db2.gz QDTCESYAVIINIS-UHFFFAOYSA-N 1 0 224.264 0.530 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)N1CCO[C@@H](C)C1 ZINC000786443280 585891616 /nfs/dbraw/zinc/89/16/16/585891616.db2.gz IKSDAHVWLFDKAJ-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCCN(C)C(=O)CCN1CCOCC1 ZINC000787365882 585908073 /nfs/dbraw/zinc/90/80/73/585908073.db2.gz FUZMKKVLNHQNHR-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C[C@H]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)=NO1 ZINC000787477360 585910206 /nfs/dbraw/zinc/91/02/06/585910206.db2.gz CSMGPGYRNGRFHX-WPRPVWTQSA-N 1 0 237.303 0.852 20 30 BCEDRO C#CC(=O)Nc1ccn(C2CC[NH+](C)CC2)n1 ZINC000787772336 585915560 /nfs/dbraw/zinc/91/55/60/585915560.db2.gz JTEASYVMTGNEBA-UHFFFAOYSA-N 1 0 232.287 0.722 20 30 BCEDRO C[C@H]1CC(=NN[C@@H]2CCOC2)CC[N@@H+]1C ZINC000788444908 585923919 /nfs/dbraw/zinc/92/39/19/585923919.db2.gz FQERIDLCFDHBMQ-GXSJLCMTSA-N 1 0 211.309 0.835 20 30 BCEDRO CN(C)c1ccncc1C=[NH+]N[C@H]1CCOC1 ZINC000788452577 585924594 /nfs/dbraw/zinc/92/45/94/585924594.db2.gz PJAJMIPXJAXPOQ-NSHDSACASA-N 1 0 234.303 0.860 20 30 BCEDRO COC(=O)CC[NH+]1CCC(=NNC2CC2)CC1 ZINC000788722907 585929614 /nfs/dbraw/zinc/92/96/14/585929614.db2.gz GUOGGFVPEQPPDJ-UHFFFAOYSA-N 1 0 239.319 0.753 20 30 BCEDRO COc1ncc(C(C)=NNC(N)=[NH2+])cc1Cl ZINC000788991546 585932886 /nfs/dbraw/zinc/93/28/86/585932886.db2.gz NAEJCTQJHUCOCL-UHFFFAOYSA-N 1 0 241.682 0.951 20 30 BCEDRO C#CCn1ccc(C[N@H+](CC)C[C@H](C)CO)n1 ZINC000789332612 585940017 /nfs/dbraw/zinc/94/00/17/585940017.db2.gz UIKGLUKRUWWAJH-LBPRGKRZSA-N 1 0 235.331 0.967 20 30 BCEDRO CC(C)N(C)c1ccc(C=NNC(N)=[NH2+])cn1 ZINC000790154662 585958736 /nfs/dbraw/zinc/95/87/36/585958736.db2.gz UAZJMBDYFQVAOV-UHFFFAOYSA-N 1 0 234.307 0.743 20 30 BCEDRO C=C(CO)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000791331269 585976759 /nfs/dbraw/zinc/97/67/59/585976759.db2.gz SKGNIYNJYWUENI-JTQLQIEISA-N 1 0 226.320 0.383 20 30 BCEDRO C=C(CO)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000791331270 585976765 /nfs/dbraw/zinc/97/67/65/585976765.db2.gz SKGNIYNJYWUENI-SNVBAGLBSA-N 1 0 226.320 0.383 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000791373051 585979300 /nfs/dbraw/zinc/97/93/00/585979300.db2.gz AGHCHMNYSYDBNC-NSHDSACASA-N 1 0 226.320 0.335 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C(N)=O)nc1 ZINC000791387926 585980064 /nfs/dbraw/zinc/98/00/64/585980064.db2.gz VLENCQKSWKWNJR-UHFFFAOYSA-N 1 0 248.286 0.237 20 30 BCEDRO C=CCNC(=S)NC[C@H](C)C[NH+](C)C ZINC000793259877 586015296 /nfs/dbraw/zinc/01/52/96/586015296.db2.gz GICVXZXNXHOFEF-VIFPVBQESA-N 1 0 215.366 0.834 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CCOC)COC ZINC000793980694 586029576 /nfs/dbraw/zinc/02/95/76/586029576.db2.gz GAQGCHSRISOIDV-LLVKDONJSA-N 1 0 244.335 0.272 20 30 BCEDRO C#CCOCCC(=O)NCC[N@H+]1CC=CCC1 ZINC000794116260 586032750 /nfs/dbraw/zinc/03/27/50/586032750.db2.gz UKOKCCCFARUZQQ-UHFFFAOYSA-N 1 0 236.315 0.404 20 30 BCEDRO C#CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000794208284 586035232 /nfs/dbraw/zinc/03/52/32/586035232.db2.gz FAOVQDQEHQUNBC-UHFFFAOYSA-N 1 0 206.289 0.753 20 30 BCEDRO C[C@H]1CCC(N=NC(N)=[NH2+])[C@@H](n2cncn2)C1 ZINC000794489517 586040640 /nfs/dbraw/zinc/04/06/40/586040640.db2.gz WZWBIWWNJHIURM-CBAPKCEASA-N 1 0 235.295 0.478 20 30 BCEDRO COCCCNN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000794542641 586043234 /nfs/dbraw/zinc/04/32/34/586043234.db2.gz SLTBFISAZULECW-NSHDSACASA-N 1 0 211.309 0.837 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCO[C@H](C)C#N ZINC000794576342 586044813 /nfs/dbraw/zinc/04/48/13/586044813.db2.gz JJMWCVYYPWKMPG-GMTAPVOTSA-N 1 0 239.319 0.419 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](O)C1(C)C ZINC000794598353 586045351 /nfs/dbraw/zinc/04/53/51/586045351.db2.gz ONRFYSZPFUTSJR-SNVBAGLBSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](n2cccn2)C1 ZINC000794641711 586046038 /nfs/dbraw/zinc/04/60/38/586046038.db2.gz MDUVKYDSVPFDBS-LBPRGKRZSA-N 1 0 248.330 0.774 20 30 BCEDRO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cn[nH]c1 ZINC000794857477 586051581 /nfs/dbraw/zinc/05/15/81/586051581.db2.gz IODQVFPRHXKPII-GHMZBOCLSA-N 1 0 246.318 0.994 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc2[nH]c(=O)oc2c1 ZINC000794889468 586053335 /nfs/dbraw/zinc/05/33/35/586053335.db2.gz YFEIXHQEQYRXEA-UHFFFAOYSA-N 1 0 233.231 0.740 20 30 BCEDRO CC[N@@H+]1CCN(CC(=O)NCCC#N)[C@@H](C)C1 ZINC000796322239 586100568 /nfs/dbraw/zinc/10/05/68/586100568.db2.gz IKISVQFOMGQAQB-NSHDSACASA-N 1 0 238.335 0.042 20 30 BCEDRO CC[N@@H+]1CCN(CCO[C@H](C)C#N)[C@@H](C)C1 ZINC000796325958 586100950 /nfs/dbraw/zinc/10/09/50/586100950.db2.gz XBSJENQAKFZCLQ-NWDGAFQWSA-N 1 0 225.336 0.941 20 30 BCEDRO C#Cc1cncc(C(=O)NC2CC[NH+](C)CC2)c1 ZINC000798154652 586138412 /nfs/dbraw/zinc/13/84/12/586138412.db2.gz OIHSCAVALSKUSR-UHFFFAOYSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)C[N@@H+](CC)C1CC1 ZINC000799071701 586155688 /nfs/dbraw/zinc/15/56/88/586155688.db2.gz PTRWSAGWLNBSGF-GFCCVEGCSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC000799080291 586155968 /nfs/dbraw/zinc/15/59/68/586155968.db2.gz GOPYJPMWHXYVJD-LLVKDONJSA-N 1 0 226.320 0.217 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)[C@@H](CC)[NH+](C)C ZINC000799078094 586156021 /nfs/dbraw/zinc/15/60/21/586156021.db2.gz XXQMDPJEKFFUJV-GHMZBOCLSA-N 1 0 226.320 0.217 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)C[NH+](CC)CC ZINC000799079538 586156076 /nfs/dbraw/zinc/15/60/76/586156076.db2.gz PTOIOIHESBEKQI-NSHDSACASA-N 1 0 226.320 0.219 20 30 BCEDRO C[C@H]1CC(=NNCC(C)(C)CO)CN1C ZINC000799114479 586157461 /nfs/dbraw/zinc/15/74/61/586157461.db2.gz DJFIFGQOFXJOBC-VIFPVBQESA-N 1 0 213.325 0.675 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000799146376 586161395 /nfs/dbraw/zinc/16/13/95/586161395.db2.gz DXXQKZCXROYDNJ-GFCCVEGCSA-N 1 0 236.315 0.355 20 30 BCEDRO N#CCC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799163340 586162655 /nfs/dbraw/zinc/16/26/55/586162655.db2.gz IXAXULKANQPNJA-JTQLQIEISA-N 1 0 235.287 0.417 20 30 BCEDRO CSCCC[N@H+](C)CC(=O)NCCC#N ZINC000799199177 586167342 /nfs/dbraw/zinc/16/73/42/586167342.db2.gz RZDBRCCLAFOGQV-UHFFFAOYSA-N 1 0 229.349 0.701 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cnoc1C ZINC000799485525 586179216 /nfs/dbraw/zinc/17/92/16/586179216.db2.gz QVQWBGTVCXSTQV-ZCFIWIBFSA-N 1 0 221.264 0.644 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCc1cn(C)nn1 ZINC000859360993 589034232 /nfs/dbraw/zinc/03/42/32/589034232.db2.gz JKRNHOSWATXVFR-UHFFFAOYSA-N 1 0 236.319 0.329 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cn(C)c(C)n1 ZINC000800815574 586231970 /nfs/dbraw/zinc/23/19/70/586231970.db2.gz FOPMEYKFOHOVKM-SSDOTTSWSA-N 1 0 234.307 0.390 20 30 BCEDRO CC#CC(=O)NCC1(O)CC[NH+](C(C)C)CC1 ZINC000801169365 586244462 /nfs/dbraw/zinc/24/44/62/586244462.db2.gz VKCNNJCZGLSWPD-UHFFFAOYSA-N 1 0 238.331 0.361 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+]C1(C(N)=O)CCCCC1 ZINC000801933659 586278281 /nfs/dbraw/zinc/27/82/81/586278281.db2.gz BJFICCMPMDCGFC-JTQLQIEISA-N 1 0 239.319 0.693 20 30 BCEDRO CNC(=O)C1([NH2+]CCO[C@H](C)C#N)CCCC1 ZINC000801932304 586278309 /nfs/dbraw/zinc/27/83/09/586278309.db2.gz KBGBAZIVCLLOCK-SNVBAGLBSA-N 1 0 239.319 0.563 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](CCO)Cc1cccnc1 ZINC000801929031 586278404 /nfs/dbraw/zinc/27/84/04/586278404.db2.gz OJUROXGKHOUKGA-LBPRGKRZSA-N 1 0 249.314 0.805 20 30 BCEDRO C[C@H](C#N)OCCN1CCc2c[nH]nc2C1 ZINC000801934216 586278549 /nfs/dbraw/zinc/27/85/49/586278549.db2.gz JQVJQUGEVHQKQB-SECBINFHSA-N 1 0 220.276 0.696 20 30 BCEDRO C[C@H](C#N)OCC[NH2+]C1(C(N)=O)CCCCC1 ZINC000801933662 586278775 /nfs/dbraw/zinc/27/87/75/586278775.db2.gz BJFICCMPMDCGFC-SNVBAGLBSA-N 1 0 239.319 0.693 20 30 BCEDRO C#CCC[NH+]1CCN(CCO[C@@H](C)C#N)CC1 ZINC000801936714 586280010 /nfs/dbraw/zinc/28/00/10/586280010.db2.gz XSRDDTAYOQMCEN-ZDUSSCGKSA-N 1 0 235.331 0.556 20 30 BCEDRO COC(=O)C[C@@H]([NH2+]CCO[C@H](C)C#N)C1CC1 ZINC000801940102 586281000 /nfs/dbraw/zinc/28/10/00/586281000.db2.gz YBGQRKVCJCZYSO-MWLCHTKSSA-N 1 0 240.303 0.846 20 30 BCEDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCO[C@@H](C)C#N ZINC000801943846 586281353 /nfs/dbraw/zinc/28/13/53/586281353.db2.gz JQMAMGFOSRLIRA-QJPTWQEYSA-N 1 0 242.319 0.699 20 30 BCEDRO COC(=O)[C@@H]1CC[N@H+](CCO[C@H](C)C#N)[C@@H]1C ZINC000801949246 586282504 /nfs/dbraw/zinc/28/25/04/586282504.db2.gz NKFXAQJWEQETQR-GMTAPVOTSA-N 1 0 240.303 0.798 20 30 BCEDRO COCC[C@]1([NH2+]CCO[C@@H](C)C#N)CCOC1 ZINC000801952322 586282532 /nfs/dbraw/zinc/28/25/32/586282532.db2.gz SMOGOMNXIOQKNV-RYUDHWBXSA-N 1 0 242.319 0.700 20 30 BCEDRO COC[C@H]([NH2+]CCO[C@@H](C)C#N)[C@H]1CCCO1 ZINC000801952283 586282645 /nfs/dbraw/zinc/28/26/45/586282645.db2.gz RIHWEQCGENAKND-SDDRHHMPSA-N 1 0 242.319 0.699 20 30 BCEDRO COC(=O)[C@@H]1CC[N@H+](CCO[C@@H](C)C#N)[C@H]1C ZINC000801949245 586282728 /nfs/dbraw/zinc/28/27/28/586282728.db2.gz NKFXAQJWEQETQR-GARJFASQSA-N 1 0 240.303 0.798 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)CC1(CO)CC1 ZINC000801947447 586282988 /nfs/dbraw/zinc/28/29/88/586282988.db2.gz VJSYJZIKBOUHDW-JTQLQIEISA-N 1 0 212.293 0.619 20 30 BCEDRO COC[C@H]([NH2+]CCO[C@H](C)C#N)[C@@H]1CCCO1 ZINC000801952285 586282995 /nfs/dbraw/zinc/28/29/95/586282995.db2.gz RIHWEQCGENAKND-WOPDTQHZSA-N 1 0 242.319 0.699 20 30 BCEDRO CC[N@H+](CCO[C@H](C)C#N)[C@H]1CCNC1=O ZINC000801953330 586283735 /nfs/dbraw/zinc/28/37/35/586283735.db2.gz MSMULLHWSIAHQU-ZJUUUORDSA-N 1 0 225.292 0.125 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCn2nccc21 ZINC000803658606 586368616 /nfs/dbraw/zinc/36/86/16/586368616.db2.gz DIJASVAOEXZYDT-UHFFFAOYSA-N 1 0 220.276 0.348 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCc2cncn2C1 ZINC000804332605 586391527 /nfs/dbraw/zinc/39/15/27/586391527.db2.gz NLJZLPZZPXMUFH-LLVKDONJSA-N 1 0 248.330 0.432 20 30 BCEDRO C#CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804526375 586398574 /nfs/dbraw/zinc/39/85/74/586398574.db2.gz QDFGOBQKCQXMKS-QWRGUYRKSA-N 1 0 206.289 0.705 20 30 BCEDRO C#CCNC(=O)NCCC[NH+]1CCCC1 ZINC000807011458 586422199 /nfs/dbraw/zinc/42/21/99/586422199.db2.gz FXIUBGKFCLZRMG-UHFFFAOYSA-N 1 0 209.293 0.405 20 30 BCEDRO C#CCCC[N@@H+]1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000859652704 589051964 /nfs/dbraw/zinc/05/19/64/589051964.db2.gz DOQFAEJLNWLWBW-MNOVXSKESA-N 1 0 225.288 0.662 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cn2c(n1)CCCC2 ZINC000807962297 586453465 /nfs/dbraw/zinc/45/34/65/586453465.db2.gz UOGCBGMRXCNTMW-UHFFFAOYSA-N 1 0 220.280 0.426 20 30 BCEDRO C#CCCS(=O)(=O)NCC[N@@H+](CC)C(C)C ZINC000808306746 586469281 /nfs/dbraw/zinc/46/92/81/586469281.db2.gz CVVACRQXGBDRES-UHFFFAOYSA-N 1 0 246.376 0.659 20 30 BCEDRO COc1cncc(CN2CCN(CC#N)CC2)c1 ZINC000808736022 586485951 /nfs/dbraw/zinc/48/59/51/586485951.db2.gz GLGGAMRHHYRXFS-UHFFFAOYSA-N 1 0 246.314 0.731 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)C[C@](C)(O)C(=O)OC ZINC000808754599 586488853 /nfs/dbraw/zinc/48/88/53/586488853.db2.gz OZLOFPUZIKOXNW-NSHDSACASA-N 1 0 213.277 0.254 20 30 BCEDRO CCC[NH+]1CCC(NC(=O)C=NOC)CC1 ZINC000809555955 586506794 /nfs/dbraw/zinc/50/67/94/586506794.db2.gz CLPCHIMSYVNKSD-UHFFFAOYSA-N 1 0 227.308 0.609 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)[C@@H](CO)C(C)(C)C ZINC000809575911 586507543 /nfs/dbraw/zinc/50/75/43/586507543.db2.gz GDHLYGGPRHSOCU-ZJUUUORDSA-N 1 0 214.309 0.600 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000809576540 586508278 /nfs/dbraw/zinc/50/82/78/586508278.db2.gz CGLWQIDXHZXUJJ-VWYCJHECSA-N 1 0 242.344 0.467 20 30 BCEDRO CON=CC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000809671847 586511496 /nfs/dbraw/zinc/51/14/96/586511496.db2.gz CLLCWDCCRZJKOA-LLVKDONJSA-N 1 0 239.319 0.705 20 30 BCEDRO CON=CC(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000809671971 586511674 /nfs/dbraw/zinc/51/16/74/586511674.db2.gz HHWKJJWNKASXTO-GHMZBOCLSA-N 1 0 241.335 0.998 20 30 BCEDRO CON=CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000809721170 586514412 /nfs/dbraw/zinc/51/44/12/586514412.db2.gz UUTNXKQAJCOSLA-SNVBAGLBSA-N 1 0 225.292 0.314 20 30 BCEDRO CC[N@@H+]1CCN(C(=O)C=NOC)C[C@@H]1C ZINC000809734270 586515203 /nfs/dbraw/zinc/51/52/03/586515203.db2.gz CCZMIPKOYQVGEJ-VIFPVBQESA-N 1 0 213.281 0.171 20 30 BCEDRO CC[N@@H+]1C[C@H](C)N(C(=O)C=NOC)C[C@H]1C ZINC000809740571 586515352 /nfs/dbraw/zinc/51/53/52/586515352.db2.gz DQPDSLVFHBHVDK-ZJUUUORDSA-N 1 0 227.308 0.560 20 30 BCEDRO CC[N@@H+]1C[C@H](C)N(C(=O)C=NOC)C[C@@H]1C ZINC000809740569 586515787 /nfs/dbraw/zinc/51/57/87/586515787.db2.gz DQPDSLVFHBHVDK-UWVGGRQHSA-N 1 0 227.308 0.560 20 30 BCEDRO CON=CC(=O)NCC[C@H](C)[NH+]1CCCCC1 ZINC000809762201 586517939 /nfs/dbraw/zinc/51/79/39/586517939.db2.gz HGHJLLQLLPHBEP-NSHDSACASA-N 1 0 241.335 0.999 20 30 BCEDRO CON=CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000809770937 586519372 /nfs/dbraw/zinc/51/93/72/586519372.db2.gz BGEUTYVRELRJRX-UHFFFAOYSA-N 1 0 213.281 0.171 20 30 BCEDRO CCN(CCC[NH+](C)C)C(=O)C=NOC ZINC000809796046 586520657 /nfs/dbraw/zinc/52/06/57/586520657.db2.gz YKBFCGORLWVECZ-UHFFFAOYSA-N 1 0 215.297 0.419 20 30 BCEDRO CCCN[NH+]=Cc1cnc(N(C)C)n1C ZINC000811638561 586562380 /nfs/dbraw/zinc/56/23/80/586562380.db2.gz ZIUVXHTUFNZHOY-UHFFFAOYSA-N 1 0 209.297 0.820 20 30 BCEDRO C[C@@H](CC#N)N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811645647 586562445 /nfs/dbraw/zinc/56/24/45/586562445.db2.gz USZWWMGGAFTNNF-VIFPVBQESA-N 1 0 234.307 0.712 20 30 BCEDRO C[C@H](C#N)CN[NH+]=Cc1cnc(N(C)C)n1C ZINC000811645257 586562555 /nfs/dbraw/zinc/56/25/55/586562555.db2.gz GCWLTPXMVQHWCE-SECBINFHSA-N 1 0 234.307 0.569 20 30 BCEDRO CCOCCO[NH+]=Cc1cnc(N(C)C)n1C ZINC000811648984 586562860 /nfs/dbraw/zinc/56/28/60/586562860.db2.gz WXBOPSZUXIOIIA-UHFFFAOYSA-N 1 0 240.307 0.873 20 30 BCEDRO CC[C@@H](O)CNN=C1CC[N@@H+]2CCC[C@H]12 ZINC000811652552 586563410 /nfs/dbraw/zinc/56/34/10/586563410.db2.gz PHBGBWDVOUVNQD-MWLCHTKSSA-N 1 0 211.309 0.571 20 30 BCEDRO CC[C@H](O)CNN=C1CC[N@H+](C)[C@@H](C)C1 ZINC000811655890 586563871 /nfs/dbraw/zinc/56/38/71/586563871.db2.gz BLVGJJBALLZIIO-ONGXEEELSA-N 1 0 213.325 0.817 20 30 BCEDRO C#CCNC(=S)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000811706643 586566018 /nfs/dbraw/zinc/56/60/18/586566018.db2.gz OQJMQOGJVXCPDU-JTQLQIEISA-N 1 0 227.377 0.812 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000812005002 586569448 /nfs/dbraw/zinc/56/94/48/586569448.db2.gz ZSGFGXFHFVAUSR-NWDGAFQWSA-N 1 0 235.331 0.888 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC1CC[NH+](C)CC1 ZINC000812031566 586569736 /nfs/dbraw/zinc/56/97/36/586569736.db2.gz ZWIMPRPZEMXYDM-SNVBAGLBSA-N 1 0 223.320 0.649 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000812055864 586570061 /nfs/dbraw/zinc/57/00/61/586570061.db2.gz CXQMSMHTKPLVKX-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO CC(C)C[N@H+](CCC#N)CCC(=O)NC(N)=O ZINC000813331704 586600388 /nfs/dbraw/zinc/60/03/88/586600388.db2.gz QHKHNYUOXRIPCJ-UHFFFAOYSA-N 1 0 240.307 0.443 20 30 BCEDRO C[C@@H]1CC(NC(=O)CC2CC[NH+](C)CC2)=NO1 ZINC000813503840 586602541 /nfs/dbraw/zinc/60/25/41/586602541.db2.gz VFWXICOGCYFMEU-SECBINFHSA-N 1 0 239.319 0.957 20 30 BCEDRO CC(C)(O)C[NH+]1CCC(=NNC2CC2)CC1 ZINC000814226994 586618378 /nfs/dbraw/zinc/61/83/78/586618378.db2.gz OUACIRGBSPJLCZ-UHFFFAOYSA-N 1 0 225.336 0.961 20 30 BCEDRO C#CCON=C1CC[NH+](CC(C)(C)O)CC1 ZINC000814228526 586618489 /nfs/dbraw/zinc/61/84/89/586618489.db2.gz FAXRSDPKRQCPKQ-UHFFFAOYSA-N 1 0 224.304 0.859 20 30 BCEDRO NC(=[NH2+])N=NC1CCCC[C@H]1CCCO ZINC000814796861 586633452 /nfs/dbraw/zinc/63/34/52/586633452.db2.gz TYHWWILRUSVYFO-QMMMGPOBSA-N 1 0 212.297 0.788 20 30 BCEDRO Cn1c(Cl)nc(Cl)c1C=NNC(N)=[NH2+] ZINC000814796400 586634544 /nfs/dbraw/zinc/63/45/44/586634544.db2.gz BNLGMJGKFKQQEX-UHFFFAOYSA-N 1 0 235.078 0.544 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cn(-c2ccccc2)nn1 ZINC000814796948 586635005 /nfs/dbraw/zinc/63/50/05/586635005.db2.gz XSHCORCQZOKFAX-UHFFFAOYSA-N 1 0 243.274 0.474 20 30 BCEDRO NC(=[NH2+])NN=C1COc2cccc(Cl)c21 ZINC000814796981 586635133 /nfs/dbraw/zinc/63/51/33/586635133.db2.gz ZABJVDOMAKQRMJ-UHFFFAOYSA-N 1 0 224.651 0.920 20 30 BCEDRO Cn1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)n1 ZINC000814885757 586642900 /nfs/dbraw/zinc/64/29/00/586642900.db2.gz JERCJMYRTMWQDO-GHMZBOCLSA-N 1 0 246.318 0.614 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2nc(C#N)cs2)N1 ZINC000814897201 586645132 /nfs/dbraw/zinc/64/51/32/586645132.db2.gz GVNRIMNWJPWUAA-ZCFIWIBFSA-N 1 0 234.288 0.286 20 30 BCEDRO CC(=NNCC(N)=O)c1cc(F)c(N)c(F)c1 ZINC000814903803 586647179 /nfs/dbraw/zinc/64/71/79/586647179.db2.gz BACLXDKJHIHKNR-UHFFFAOYSA-N 1 0 242.229 0.346 20 30 BCEDRO CC(C)[N@@H+]1CC(N=NC[C@@H](C)O)[C@@H](C)C1 ZINC000814960981 586659528 /nfs/dbraw/zinc/65/95/28/586659528.db2.gz WIPXXPKAVJZFEU-VHSXEESVSA-N 1 0 213.325 0.673 20 30 BCEDRO CC(C)[N@@H+]1CC(=NNC[C@@H](C)O)[C@H](C)C1 ZINC000814960979 586659546 /nfs/dbraw/zinc/65/95/46/586659546.db2.gz WIPXXPKAVJZFEU-NXEZZACHSA-N 1 0 213.325 0.673 20 30 BCEDRO C[C@H](O)CN[NH+]=Cc1cnccc1N(C)C ZINC000814964784 586661150 /nfs/dbraw/zinc/66/11/50/586661150.db2.gz DPLPITSAXDVSEL-VIFPVBQESA-N 1 0 222.292 0.452 20 30 BCEDRO C[C@H]1CC(N=Nc2cnnn2C)C[N@@H+]1C ZINC000814982274 586663440 /nfs/dbraw/zinc/66/34/40/586663440.db2.gz UALGRPNGVPOFMC-ZETCQYMHSA-N 1 0 208.269 0.307 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](CCO)C1 ZINC000815035057 586664800 /nfs/dbraw/zinc/66/48/00/586664800.db2.gz HRUHBHJRBAENTA-GFCCVEGCSA-N 1 0 238.331 0.220 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCOC[C@H]1C ZINC000815074538 586665250 /nfs/dbraw/zinc/66/52/50/586665250.db2.gz WFNQNWLKMCDIAK-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO CCNC(=O)[C@@H]([NH2+]CCOCCC#N)C(C)C ZINC000815132740 586668663 /nfs/dbraw/zinc/66/86/63/586668663.db2.gz KIKXBMXVVHBZIZ-NSHDSACASA-N 1 0 241.335 0.667 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)C=NOC ZINC000816484261 586735811 /nfs/dbraw/zinc/73/58/11/586735811.db2.gz WBYVIAZSYGXYSS-JTQLQIEISA-N 1 0 227.308 0.561 20 30 BCEDRO CON=CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000816766685 586762874 /nfs/dbraw/zinc/76/28/74/586762874.db2.gz DOXFNKBMDWLHLE-DTWKUNHWSA-N 1 0 213.281 0.170 20 30 BCEDRO CON=CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000816766684 586763030 /nfs/dbraw/zinc/76/30/30/586763030.db2.gz DOXFNKBMDWLHLE-BDAKNGLRSA-N 1 0 213.281 0.170 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000859830548 589064528 /nfs/dbraw/zinc/06/45/28/589064528.db2.gz YOKQDPLCQAZEMG-BLFANLJRSA-N 1 0 238.331 0.527 20 30 BCEDRO C#CCCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817159519 586784428 /nfs/dbraw/zinc/78/44/28/586784428.db2.gz MKOGHLSLHFNTTF-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817159518 586784500 /nfs/dbraw/zinc/78/45/00/586784500.db2.gz MKOGHLSLHFNTTF-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCNC(=S)NC1CCC([NH+](C)C)CC1 ZINC000817566535 586811845 /nfs/dbraw/zinc/81/18/45/586811845.db2.gz NTUPIAHFVPXKQX-UHFFFAOYSA-N 1 0 239.388 0.957 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCN[C@H]1C(=O)OCC ZINC000817921635 586839920 /nfs/dbraw/zinc/83/99/20/586839920.db2.gz FLPGXLLJUZVXNR-GHMZBOCLSA-N 1 0 242.319 0.072 20 30 BCEDRO CCc1cc(NC(=O)[C@H]([NH3+])CCCC#N)nn1C ZINC000818231322 586880595 /nfs/dbraw/zinc/88/05/95/586880595.db2.gz TZPPLUFFQLNJQO-SNVBAGLBSA-N 1 0 249.318 0.942 20 30 BCEDRO C#CCOCCC(=O)NCCC[N@@H+](C)CC#C ZINC000818592856 586903912 /nfs/dbraw/zinc/90/39/12/586903912.db2.gz BTHYTBNQOLQZCE-UHFFFAOYSA-N 1 0 236.315 0.098 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CCn1cccc1 ZINC000818595934 586904542 /nfs/dbraw/zinc/90/45/42/586904542.db2.gz UKZVXWJJHSQNAK-UHFFFAOYSA-N 1 0 247.342 0.950 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](CC)CO ZINC000818615595 586906346 /nfs/dbraw/zinc/90/63/46/586906346.db2.gz SFSOZIQZKWMART-NSHDSACASA-N 1 0 226.320 0.076 20 30 BCEDRO C#CCOCCC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000818621431 586908164 /nfs/dbraw/zinc/90/81/64/586908164.db2.gz UYOHPJUFRRPUTQ-TXEJJXNPSA-N 1 0 238.331 0.577 20 30 BCEDRO N#Cc1ccc(NCC[NH2+]CC2(O)CCC2)nc1 ZINC000818952782 586917229 /nfs/dbraw/zinc/91/72/29/586917229.db2.gz XWFJNXYEQXYKLI-UHFFFAOYSA-N 1 0 246.314 0.870 20 30 BCEDRO CC[C@H](O)C[NH2+]CCNc1ncccc1C#N ZINC000818976035 586918908 /nfs/dbraw/zinc/91/89/08/586918908.db2.gz RKKKOOAXPYMUDN-NSHDSACASA-N 1 0 234.303 0.726 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@]1(O)CCC[C@H]1C ZINC000818991813 586920537 /nfs/dbraw/zinc/92/05/37/586920537.db2.gz FMQLVZLHFWADES-YPMHNXCESA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC[C@H](SC)C1 ZINC000819113047 586931260 /nfs/dbraw/zinc/93/12/60/586931260.db2.gz KUNCXJOCCCBUGE-MNOVXSKESA-N 1 0 240.372 1.000 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CC[C@@H](SC)C1 ZINC000819113049 586931449 /nfs/dbraw/zinc/93/14/49/586931449.db2.gz KUNCXJOCCCBUGE-WDEREUQCSA-N 1 0 240.372 1.000 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCC1CCC1 ZINC000819145317 586933241 /nfs/dbraw/zinc/93/32/41/586933241.db2.gz CNTWOZCMCNLGNO-CYBMUJFWSA-N 1 0 239.363 0.973 20 30 BCEDRO C#CCCCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000819156627 586934117 /nfs/dbraw/zinc/93/41/17/586934117.db2.gz JHFFLGACSGDMEF-SNVBAGLBSA-N 1 0 217.334 0.813 20 30 BCEDRO C=CCOCC[NH2+]CCC(=O)N(C)OC ZINC000819217885 586939492 /nfs/dbraw/zinc/93/94/92/586939492.db2.gz HUOULJRJALIPTA-UHFFFAOYSA-N 1 0 216.281 0.189 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)COc1ccccc1 ZINC000819227968 586940329 /nfs/dbraw/zinc/94/03/29/586940329.db2.gz FXWJKVVCZMIZOF-CYBMUJFWSA-N 1 0 249.310 0.666 20 30 BCEDRO CON(C)C(=O)CC[NH2+]CC1(C#N)CC1 ZINC000819280356 586947839 /nfs/dbraw/zinc/94/78/39/586947839.db2.gz CSSAGVFZXLZKQC-UHFFFAOYSA-N 1 0 211.265 0.290 20 30 BCEDRO Cn1ncc(CCC[NH2+]C[C@H](C#N)CCC#N)n1 ZINC000819331305 586953511 /nfs/dbraw/zinc/95/35/11/586953511.db2.gz QILRKWBLLDMYPC-NSHDSACASA-N 1 0 246.318 0.781 20 30 BCEDRO CS(=O)(=O)CC[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000819343788 586953845 /nfs/dbraw/zinc/95/38/45/586953845.db2.gz QOUQWTPVUVPTKK-UWVGGRQHSA-N 1 0 230.333 0.703 20 30 BCEDRO C[C@H](C#N)CNN=C1CC[NH+](CCO)CC1 ZINC000819809747 586995137 /nfs/dbraw/zinc/99/51/37/586995137.db2.gz YBIPJOHGNWHBOI-SNVBAGLBSA-N 1 0 224.308 0.180 20 30 BCEDRO COC[C@H](C)NN=C1CC[NH+](CCO)CC1 ZINC000819812487 586997110 /nfs/dbraw/zinc/99/71/10/586997110.db2.gz MLHNWXPKJUJERW-JTQLQIEISA-N 1 0 229.324 0.055 20 30 BCEDRO CC(C)OCCON=C1CC[NH+](CCO)CC1 ZINC000819813299 586998108 /nfs/dbraw/zinc/99/81/08/586998108.db2.gz MPEGKRYMBMRXJS-UHFFFAOYSA-N 1 0 244.335 0.872 20 30 BCEDRO N#CC1(NC(=O)C[NH+]2CCCC2)CCOCC1 ZINC000820028781 587014111 /nfs/dbraw/zinc/01/41/11/587014111.db2.gz ONEHHBIGIXIHRA-UHFFFAOYSA-N 1 0 237.303 0.271 20 30 BCEDRO C#CCSCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000820192667 587033791 /nfs/dbraw/zinc/03/37/91/587033791.db2.gz BYRLICBOMMXOGP-NSHDSACASA-N 1 0 240.372 0.811 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@@H](C)[NH+](C)C ZINC000820317444 587043036 /nfs/dbraw/zinc/04/30/36/587043036.db2.gz FOTZRAPNNYKWPB-LLVKDONJSA-N 1 0 206.289 0.422 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000820427839 587048296 /nfs/dbraw/zinc/04/82/96/587048296.db2.gz LBHCTDWRSSAFLY-VXGBXAGGSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000820435397 587048826 /nfs/dbraw/zinc/04/88/26/587048826.db2.gz IPKLAIFGQZBCQY-NEPJUHHUSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000820436347 587049093 /nfs/dbraw/zinc/04/90/93/587049093.db2.gz VSUUSDRMLWURFB-RYUDHWBXSA-N 1 0 235.331 0.888 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000820436345 587049202 /nfs/dbraw/zinc/04/92/02/587049202.db2.gz VSUUSDRMLWURFB-NEPJUHHUSA-N 1 0 235.331 0.888 20 30 BCEDRO C#CC[C@@H](CO)Nc1nc(C)nc(N(C)C)n1 ZINC000820581320 587055800 /nfs/dbraw/zinc/05/58/00/587055800.db2.gz PRRKPSUCLYRWEL-VIFPVBQESA-N 1 0 235.291 0.042 20 30 BCEDRO N#C[C@@H]1CC[C@H]([N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)C1 ZINC000860166218 589084761 /nfs/dbraw/zinc/08/47/61/589084761.db2.gz HAPOTQULCSXVIO-RCWTZXSCSA-N 1 0 220.272 0.783 20 30 BCEDRO C#C[C@H](CC)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000821567431 587129160 /nfs/dbraw/zinc/12/91/60/587129160.db2.gz MYLWANGKPQOWHK-VXGBXAGGSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CCN(C(=O)C[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000821960288 587147715 /nfs/dbraw/zinc/14/77/15/587147715.db2.gz GAXITIDFYGHWKG-LLVKDONJSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000822072846 587151283 /nfs/dbraw/zinc/15/12/83/587151283.db2.gz NHFKYSMEEIWDKY-NEPJUHHUSA-N 1 0 236.315 0.379 20 30 BCEDRO C#C[C@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000822082454 587152179 /nfs/dbraw/zinc/15/21/79/587152179.db2.gz MOCATDNSKOEJHZ-NSHDSACASA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000822236773 587159663 /nfs/dbraw/zinc/15/96/63/587159663.db2.gz PJELGDCEIFSRJA-NSHDSACASA-N 1 0 240.347 0.729 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000822473557 587170528 /nfs/dbraw/zinc/17/05/28/587170528.db2.gz ZWPDKIMHRBBQCW-GHMZBOCLSA-N 1 0 208.305 0.808 20 30 BCEDRO N#CC1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000822632177 587178458 /nfs/dbraw/zinc/17/84/58/587178458.db2.gz AFZDCJVLFGRXGC-UHFFFAOYSA-N 1 0 207.277 0.502 20 30 BCEDRO CC(C)(C)[NH2+]CCC(=O)Nc1n[nH]cc1C#N ZINC000822966490 587195767 /nfs/dbraw/zinc/19/57/67/587195767.db2.gz BTAFCRJWTKBFBH-UHFFFAOYSA-N 1 0 235.291 0.998 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000823121238 587203946 /nfs/dbraw/zinc/20/39/46/587203946.db2.gz QKQOCHZUBJVGAD-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000823132806 587204462 /nfs/dbraw/zinc/20/44/62/587204462.db2.gz IMSRTFYCMKWVCB-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000823301078 587214742 /nfs/dbraw/zinc/21/47/42/587214742.db2.gz CHANEBFBLPPFJI-NEPJUHHUSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000823468278 587224539 /nfs/dbraw/zinc/22/45/39/587224539.db2.gz FGWFNGSZFMMDOW-NSHDSACASA-N 1 0 204.277 0.938 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](CF)C1 ZINC000840483042 587242282 /nfs/dbraw/zinc/24/22/82/587242282.db2.gz GVDDDXCVRWMBTN-SNVBAGLBSA-N 1 0 230.283 0.301 20 30 BCEDRO C#CCCN1CCN(C(=O)C2([NH+](C)C)CC2)CC1 ZINC000825077773 587302618 /nfs/dbraw/zinc/30/26/18/587302618.db2.gz IACDVZWWGFCHTB-UHFFFAOYSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)[C@@H](C)[NH+](C)C ZINC000825079996 587303213 /nfs/dbraw/zinc/30/32/13/587303213.db2.gz CSFPPHAHQRDTAE-GHMZBOCLSA-N 1 0 226.320 0.481 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCCNc1cc[nH+]cc1 ZINC000825504036 587321833 /nfs/dbraw/zinc/32/18/33/587321833.db2.gz MEXKNKJUVVRTLY-NSHDSACASA-N 1 0 247.298 0.070 20 30 BCEDRO C#CC(=O)NC[C@H]1c2ccccc2CN1C ZINC000826729969 587360220 /nfs/dbraw/zinc/36/02/20/587360220.db2.gz LCXRZUFYAXQLRW-LBPRGKRZSA-N 1 0 214.268 0.923 20 30 BCEDRO C#CC1CCN(C(=O)N[C@@H](C)C[NH+](C)C)CC1 ZINC000827072873 587369719 /nfs/dbraw/zinc/36/97/19/587369719.db2.gz XJGWDOQQMLBBJJ-NSHDSACASA-N 1 0 237.347 0.991 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)CC[C@H]21 ZINC000827245066 587373794 /nfs/dbraw/zinc/37/37/94/587373794.db2.gz ICBOIMAPTATEJR-CHWSQXEVSA-N 1 0 232.327 0.952 20 30 BCEDRO CC#CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827266355 587374771 /nfs/dbraw/zinc/37/47/71/587374771.db2.gz KBSLFBIJYMOYBH-QWRGUYRKSA-N 1 0 206.289 0.562 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000827384099 587379203 /nfs/dbraw/zinc/37/92/03/587379203.db2.gz NPBFJZNZABRRHW-IJLUTSLNSA-N 1 0 238.331 0.576 20 30 BCEDRO C=C(CO)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000827491445 587382821 /nfs/dbraw/zinc/38/28/21/587382821.db2.gz PLQYCOUAYOSPIL-LLVKDONJSA-N 1 0 226.320 0.334 20 30 BCEDRO C#Cc1cnc(NCCN2CCO[C@@H](C)C2)nc1 ZINC000827527256 587386235 /nfs/dbraw/zinc/38/62/35/587386235.db2.gz ZPKSDODHUAWXCU-NSHDSACASA-N 1 0 246.314 0.591 20 30 BCEDRO C#CCN1CCN(C(=O)C#CC(C)C)CC1 ZINC000827526844 587386292 /nfs/dbraw/zinc/38/62/92/587386292.db2.gz PRUVMAOCRDGYEH-UHFFFAOYSA-N 1 0 218.300 0.423 20 30 BCEDRO C#Cc1cnc(N2CCC[C@H]([NH+](C)C)C2)nc1 ZINC000827548659 587387136 /nfs/dbraw/zinc/38/71/36/587387136.db2.gz WOECJXIYFJKCJV-LBPRGKRZSA-N 1 0 230.315 0.988 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000827585610 587390396 /nfs/dbraw/zinc/39/03/96/587390396.db2.gz MXNORSBUZQECHM-SNVBAGLBSA-N 1 0 214.309 0.380 20 30 BCEDRO C#Cc1cnc(NCC[NH+]2CCSCC2)nc1 ZINC000827617610 587392486 /nfs/dbraw/zinc/39/24/86/587392486.db2.gz CNEDWNGPULEVBW-UHFFFAOYSA-N 1 0 248.355 0.919 20 30 BCEDRO C#Cc1cnc(N2CC[C@H]([NH+]3CC=CC3)C2)nc1 ZINC000827685624 587396307 /nfs/dbraw/zinc/39/63/07/587396307.db2.gz PCGYQOCGFDILND-ZDUSSCGKSA-N 1 0 240.310 0.908 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1coc(C=O)c1 ZINC000827971772 587414054 /nfs/dbraw/zinc/41/40/54/587414054.db2.gz GXHKGMSQZJJUEH-UHFFFAOYSA-N 1 0 234.255 0.387 20 30 BCEDRO Cn1cnc(/C=C/C(=O)NCC#CC[NH+](C)C)c1 ZINC000827971643 587414059 /nfs/dbraw/zinc/41/40/59/587414059.db2.gz CPMVLYDUWAGJDL-VOTSOKGWSA-N 1 0 246.314 0.115 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000827971682 587414183 /nfs/dbraw/zinc/41/41/83/587414183.db2.gz DWRHIQDIRJKPHT-FHUSYTEZSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000828739315 587459707 /nfs/dbraw/zinc/45/97/07/587459707.db2.gz VFLDSHSHYRSWDJ-NSHDSACASA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000828739266 587459875 /nfs/dbraw/zinc/45/98/75/587459875.db2.gz VFLDSHSHYRSWDJ-LLVKDONJSA-N 1 0 238.331 0.577 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@](C)(O)C(C)=O)[C@@H]1CCCO1 ZINC000828954888 587475378 /nfs/dbraw/zinc/47/53/78/587475378.db2.gz YBWZIBIAORNGFN-SDDRHHMPSA-N 1 0 225.288 0.097 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000829706015 587510901 /nfs/dbraw/zinc/51/09/01/587510901.db2.gz XOYQHZZEHPATKZ-LOWVWBTDSA-N 1 0 240.347 0.912 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000829768593 587514581 /nfs/dbraw/zinc/51/45/81/587514581.db2.gz HEJDDEIKCFLHDB-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000829783718 587515680 /nfs/dbraw/zinc/51/56/80/587515680.db2.gz BAMHZBSJJBQZSS-LLVKDONJSA-N 1 0 244.360 0.400 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC000829785012 587516402 /nfs/dbraw/zinc/51/64/02/587516402.db2.gz PCJVZMMFYLBWKR-RYUDHWBXSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000829810414 587518212 /nfs/dbraw/zinc/51/82/12/587518212.db2.gz PSNRKUVWCMTNJO-JTQLQIEISA-N 1 0 234.303 0.344 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](C[C@](C)(O)C(=O)OC)C1 ZINC000829810070 587518794 /nfs/dbraw/zinc/51/87/94/587518794.db2.gz LLRQGHSJXUVVOV-YPMHNXCESA-N 1 0 239.315 0.646 20 30 BCEDRO C=C(Cl)CNC(=O)c1cn(CCC[NH3+])nn1 ZINC000830038685 587533455 /nfs/dbraw/zinc/53/34/55/587533455.db2.gz LTLJGIODQWPZPL-UHFFFAOYSA-N 1 0 243.698 0.109 20 30 BCEDRO C#CC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000830311179 587545287 /nfs/dbraw/zinc/54/52/87/587545287.db2.gz GQOMHWOKUNZHCO-UHFFFAOYSA-N 1 0 219.288 0.361 20 30 BCEDRO C#CC1CC[NH+](CC(=O)N(C)CC)CC1 ZINC000830321179 587545694 /nfs/dbraw/zinc/54/56/94/587545694.db2.gz AGMNOVKONILXOL-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 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C#C[C@H](NC(=O)N[C@]1(C)CC[NH2+]C1)C(C)C ZINC000831088228 587585746 /nfs/dbraw/zinc/58/57/46/587585746.db2.gz ULYVKWPCEVCDCV-CMPLNLGQSA-N 1 0 223.320 0.695 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000831175242 587589419 /nfs/dbraw/zinc/58/94/19/587589419.db2.gz HXCMOJAVBCFMTK-SCZZXKLOSA-N 1 0 221.247 0.625 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000831175243 587589768 /nfs/dbraw/zinc/58/97/68/587589768.db2.gz HXCMOJAVBCFMTK-WCBMZHEXSA-N 1 0 221.247 0.625 20 30 BCEDRO CCO[C@H](CNC(=O)[C@@H](C)C#N)C[NH+](C)C ZINC000831745617 587629797 /nfs/dbraw/zinc/62/97/97/587629797.db2.gz UKDOVLOIQTXBDH-VHSXEESVSA-N 1 0 227.308 0.229 20 30 BCEDRO C=CCOCC(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000831751325 587629459 /nfs/dbraw/zinc/62/94/59/587629459.db2.gz ISCXFGFVXPVUQS-NSHDSACASA-N 1 0 244.335 0.272 20 30 BCEDRO CC(C)C#CC(=O)NCCOCC[NH+](C)C ZINC000831755910 587630264 /nfs/dbraw/zinc/63/02/64/587630264.db2.gz VPZACGFSTIHQHF-UHFFFAOYSA-N 1 0 226.320 0.340 20 30 BCEDRO 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20 30 BCEDRO COC[C@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000832605783 587668997 /nfs/dbraw/zinc/66/89/97/587668997.db2.gz OXBHTWBHQLJCCL-LLVKDONJSA-N 1 0 239.319 0.517 20 30 BCEDRO C=C[C@H](O)C(=O)N(CCC)CCC[NH+](C)C ZINC000832826994 587692862 /nfs/dbraw/zinc/69/28/62/587692862.db2.gz HVKCIZAHBVFDDZ-NSHDSACASA-N 1 0 228.336 0.724 20 30 BCEDRO C#CCC(CC#C)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000834307616 587751146 /nfs/dbraw/zinc/75/11/46/587751146.db2.gz BPBBYIZXQKBFCZ-KGLIPLIRSA-N 1 0 244.338 0.812 20 30 BCEDRO C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1(F)F ZINC000834485652 587755598 /nfs/dbraw/zinc/75/55/98/587755598.db2.gz ZTWCGJPESZPXOU-ZXFLCMHBSA-N 1 0 229.230 0.259 20 30 BCEDRO CCO[C@H](CC)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834500164 587755776 /nfs/dbraw/zinc/75/57/76/587755776.db2.gz QOFFOHVFGQQFIN-LPEHRKFASA-N 1 0 225.292 0.029 20 30 BCEDRO C=CCC(CC=C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834479358 587756126 /nfs/dbraw/zinc/75/61/26/587756126.db2.gz DJFMJCWMPKVWAO-NWDGAFQWSA-N 1 0 233.315 0.983 20 30 BCEDRO C=CCCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834480182 587756213 /nfs/dbraw/zinc/75/62/13/587756213.db2.gz MGWPUXBHKKPRON-ZJUUUORDSA-N 1 0 207.277 0.570 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(F)c1 ZINC000834479219 587756220 /nfs/dbraw/zinc/75/62/20/587756220.db2.gz BFAVLCOLWGCAEZ-JOYOIKCWSA-N 1 0 247.273 0.976 20 30 BCEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)C(F)(F)F ZINC000834479575 587756305 /nfs/dbraw/zinc/75/63/05/587756305.db2.gz GGCMCORXDUXTSZ-DSYKOEDSSA-N 1 0 235.209 0.413 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCC1CCC1 ZINC000834480728 587756455 /nfs/dbraw/zinc/75/64/55/587756455.db2.gz VJKNORPEBZJBCI-MNOVXSKESA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC12CC2 ZINC000834485246 587756548 /nfs/dbraw/zinc/75/65/48/587756548.db2.gz UCFJRBMUOSQJTC-HLTSFMKQSA-N 1 0 205.261 0.014 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1N ZINC000834485386 587756685 /nfs/dbraw/zinc/75/66/85/587756685.db2.gz VXSUVCKPBUOAOP-PWSUYJOCSA-N 1 0 244.298 0.419 20 30 BCEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)ccc1N ZINC000834485120 587756777 /nfs/dbraw/zinc/75/67/77/587756777.db2.gz RYDCECDVEJYNNH-CMPLNLGQSA-N 1 0 244.298 0.419 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1N ZINC000834485387 587756860 /nfs/dbraw/zinc/75/68/60/587756860.db2.gz VXSUVCKPBUOAOP-ZYHUDNBSSA-N 1 0 244.298 0.419 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC1CCOCC1 ZINC000834489753 587756881 /nfs/dbraw/zinc/75/68/81/587756881.db2.gz PCIYUXHAZGCYGE-WDEREUQCSA-N 1 0 237.303 0.031 20 30 BCEDRO CC(C)c1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)on1 ZINC000834489754 587756951 /nfs/dbraw/zinc/75/69/51/587756951.db2.gz PDGQBHUVRCIZLA-PSASIEDQSA-N 1 0 248.286 0.639 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)COC1CCCC1 ZINC000834490062 587757107 /nfs/dbraw/zinc/75/71/07/587757107.db2.gz RDENMTONVBBKGC-MWLCHTKSSA-N 1 0 237.303 0.173 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccccc1O ZINC000834493380 587757245 /nfs/dbraw/zinc/75/72/45/587757245.db2.gz DEJWDCIHVVIZQE-WDEREUQCSA-N 1 0 245.282 0.162 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1c[nH]nc1C1CC1 ZINC000834499138 587757419 /nfs/dbraw/zinc/75/74/19/587757419.db2.gz FDGVKEBPXOQYQB-SCZZXKLOSA-N 1 0 245.286 0.128 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C/c1ccsc1 ZINC000834499393 587757457 /nfs/dbraw/zinc/75/74/57/587757457.db2.gz IALPUWLWZQAZIK-OIDVMBJGSA-N 1 0 247.323 0.989 20 30 BCEDRO C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)C1CC1 ZINC000834495424 587757542 /nfs/dbraw/zinc/75/75/42/587757542.db2.gz VMHHAAKSQSRSMT-DVVUODLYSA-N 1 0 221.304 0.650 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccccc1 ZINC000834506276 587757741 /nfs/dbraw/zinc/75/77/41/587757741.db2.gz RMIDSDUKFMEQNP-GHMZBOCLSA-N 1 0 215.256 0.528 20 30 BCEDRO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)O1 ZINC000834504405 587757743 /nfs/dbraw/zinc/75/77/43/587757743.db2.gz AULNCEMGVKNEPD-OGBGREFGSA-N 1 0 237.303 0.028 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)COc1ccccc1 ZINC000834505373 587757852 /nfs/dbraw/zinc/75/78/52/587757852.db2.gz KDSXSAZJSSUTHB-PWSUYJOCSA-N 1 0 245.282 0.293 20 30 BCEDRO CC(C)OCCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834500658 587757930 /nfs/dbraw/zinc/75/79/30/587757930.db2.gz VRJXDXXQYYCTNX-GHMZBOCLSA-N 1 0 239.319 0.419 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC000834510436 587758060 /nfs/dbraw/zinc/75/80/60/587758060.db2.gz AVOKJXNZJGJFFW-HZGVNTEJSA-N 1 0 238.678 0.509 20 30 BCEDRO Cc1ccccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834511304 587758094 /nfs/dbraw/zinc/75/80/94/587758094.db2.gz KIRFBTAWDJBMDF-JQWIXIFHSA-N 1 0 229.283 0.836 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccc(F)cc1 ZINC000834510336 587758099 /nfs/dbraw/zinc/75/80/99/587758099.db2.gz AHSDYRRUXCOREO-PWSUYJOCSA-N 1 0 247.273 0.596 20 30 BCEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(C)o1 ZINC000834512036 587758223 /nfs/dbraw/zinc/75/82/23/587758223.db2.gz RDXBOBHOOYBPFM-ONGXEEELSA-N 1 0 233.271 0.738 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccccc1F ZINC000834507250 587758304 /nfs/dbraw/zinc/75/83/04/587758304.db2.gz ZAXSMUIMTHZQPC-LDYMZIIASA-N 1 0 233.246 0.667 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccccc1F ZINC000834512064 587758328 /nfs/dbraw/zinc/75/83/28/587758328.db2.gz RJPBGQAJWRTJFZ-ZYHUDNBSSA-N 1 0 247.273 0.596 20 30 BCEDRO Cc1ccoc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834510494 587758345 /nfs/dbraw/zinc/75/83/45/587758345.db2.gz BPUYIOSUMSPXMC-RKDXNWHRSA-N 1 0 219.244 0.429 20 30 BCEDRO Cc1ccsc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834506695 587758361 /nfs/dbraw/zinc/75/83/61/587758361.db2.gz VGHLYIKPYVNJRA-DTWKUNHWSA-N 1 0 235.312 0.898 20 30 BCEDRO Cc1occc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834512050 587758377 /nfs/dbraw/zinc/75/83/77/587758377.db2.gz RIIQMJJTRXWEIO-SCZZXKLOSA-N 1 0 219.244 0.429 20 30 BCEDRO COc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834506684 587758401 /nfs/dbraw/zinc/75/84/01/587758401.db2.gz UZVRZPCAELMRSB-MWLCHTKSSA-N 1 0 245.282 0.537 20 30 BCEDRO Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000834517615 587758415 /nfs/dbraw/zinc/75/84/15/587758415.db2.gz XPOVBUYXSXPGFU-MWLCHTKSSA-N 1 0 230.271 0.231 20 30 BCEDRO CCCCSCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834517180 587758511 /nfs/dbraw/zinc/75/85/11/587758511.db2.gz RMBYLBWDJNSIAR-ZJUUUORDSA-N 1 0 241.360 0.747 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834516765 587758533 /nfs/dbraw/zinc/75/85/33/587758533.db2.gz LTRXROHQLIPYEJ-MNOVXSKESA-N 1 0 230.271 0.231 20 30 BCEDRO Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000834517613 587758598 /nfs/dbraw/zinc/75/85/98/587758598.db2.gz XPOVBUYXSXPGFU-GXSJLCMTSA-N 1 0 230.271 0.231 20 30 BCEDRO CCCCSCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834517178 587758610 /nfs/dbraw/zinc/75/86/10/587758610.db2.gz RMBYLBWDJNSIAR-UWVGGRQHSA-N 1 0 241.360 0.747 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834516766 587758612 /nfs/dbraw/zinc/75/86/12/587758612.db2.gz LTRXROHQLIPYEJ-QWRGUYRKSA-N 1 0 230.271 0.231 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccsc1 ZINC000834512295 587758650 /nfs/dbraw/zinc/75/86/50/587758650.db2.gz UPJOPMAATNSECA-NXEZZACHSA-N 1 0 235.312 0.518 20 30 BCEDRO C#CCn1cc(CNC(=O)[C@H]2CC[N@@H+](C)C2)cn1 ZINC000834610066 587760912 /nfs/dbraw/zinc/76/09/12/587760912.db2.gz VJFRXWQEWSPNMI-LBPRGKRZSA-N 1 0 246.314 0.084 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2CCc3cccc(O)c32)N1 ZINC000834968840 587774020 /nfs/dbraw/zinc/77/40/20/587774020.db2.gz ASIKHFTXAQCIBK-MRVPVSSYSA-N 1 0 244.298 0.980 20 30 BCEDRO CC(Cc1ccccn1)=NNC1=[NH+][C@@H](C)CN1 ZINC000834971423 587774283 /nfs/dbraw/zinc/77/42/83/587774283.db2.gz WJJBTEVDOUPAMG-JTQLQIEISA-N 1 0 231.303 0.937 20 30 BCEDRO Nc1ccc2c(c1)CCC2=[NH+]NCCO ZINC000834982893 587776043 /nfs/dbraw/zinc/77/60/43/587776043.db2.gz MXYYGYMPWQTQBN-UHFFFAOYSA-N 1 0 205.261 0.501 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N1CC[C@H](F)C1 ZINC000836491111 587834208 /nfs/dbraw/zinc/83/42/08/587834208.db2.gz HVYKAKHPEAIZBI-NSHDSACASA-N 1 0 241.310 0.695 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](F)C1 ZINC000836821544 587838819 /nfs/dbraw/zinc/83/88/19/587838819.db2.gz OKWFTBDLEBJKMH-SECBINFHSA-N 1 0 200.257 0.675 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](OC)[C@@H](C)C1 ZINC000836837937 587839286 /nfs/dbraw/zinc/83/92/86/587839286.db2.gz NOGUSITVITUWOA-JQWIXIFHSA-N 1 0 240.347 0.988 20 30 BCEDRO CON=CC(=O)NC(C)(C)CCC[NH+](C)C ZINC000836854681 587840027 /nfs/dbraw/zinc/84/00/27/587840027.db2.gz AYCVJYLRLAVBMU-UHFFFAOYSA-N 1 0 229.324 0.855 20 30 BCEDRO C#C[C@H](C)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867197889 587842836 /nfs/dbraw/zinc/84/28/36/587842836.db2.gz BOPGNCOTLDYMKT-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1COCC1(C)C ZINC000837001990 587846657 /nfs/dbraw/zinc/84/66/57/587846657.db2.gz GZIURNVJUFIUHY-JTQLQIEISA-N 1 0 226.320 0.645 20 30 BCEDRO C#C[C@@H](NS(=O)(=O)CCC[NH+](C)C)C(C)C ZINC000867224415 587861202 /nfs/dbraw/zinc/86/12/02/587861202.db2.gz NTUWLJSRKSELGM-LLVKDONJSA-N 1 0 246.376 0.515 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC(C)(C)C[NH+](C)C ZINC000837246028 587861327 /nfs/dbraw/zinc/86/13/27/587861327.db2.gz MZVSQZSRAZRMEK-JTQLQIEISA-N 1 0 226.320 0.481 20 30 BCEDRO C#Cc1cncc(C(=O)NC2CN(C(C)C)C2)c1 ZINC000837547451 587881444 /nfs/dbraw/zinc/88/14/44/587881444.db2.gz YLILJGKUHGJMAO-UHFFFAOYSA-N 1 0 243.310 0.885 20 30 BCEDRO C#CCO[C@@H](C)C(=O)OCCC[NH+](C)C ZINC000837843248 587899412 /nfs/dbraw/zinc/89/94/12/587899412.db2.gz OSDJZGAJLOOBGW-JTQLQIEISA-N 1 0 213.277 0.520 20 30 BCEDRO C#CCNC(=S)N1CC[N@@H+](C)C[C@@H]1CC ZINC000840761096 587920646 /nfs/dbraw/zinc/92/06/46/587920646.db2.gz QBROZWWEZPBHPH-JTQLQIEISA-N 1 0 225.361 0.520 20 30 BCEDRO Cc1ccnc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000841183692 587948478 /nfs/dbraw/zinc/94/84/78/587948478.db2.gz WUZVNJWGHOZZTC-NXEZZACHSA-N 1 0 245.286 0.623 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C(C)(C)C(=O)OC ZINC000841454674 587955330 /nfs/dbraw/zinc/95/53/30/587955330.db2.gz PFRGLJRFOSFQDI-UHFFFAOYSA-N 1 0 242.319 0.514 20 30 BCEDRO CC(C)(C)NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841507138 587956750 /nfs/dbraw/zinc/95/67/50/587956750.db2.gz VTFVNMROLXKJJY-YUMQZZPRSA-N 1 0 210.281 0.196 20 30 BCEDRO C[C@H](O)CN(C)N=C1C[C@H](C)N(C2CC2)C1 ZINC000841654905 587967877 /nfs/dbraw/zinc/96/78/77/587967877.db2.gz YUWHAZNSIBEGOB-UWVGGRQHSA-N 1 0 225.336 0.912 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc(F)cc1O ZINC000841658559 587969019 /nfs/dbraw/zinc/96/90/19/587969019.db2.gz FTAAAJNXCFECOV-UHFFFAOYSA-N 1 0 236.250 0.804 20 30 BCEDRO Oc1ccc2c(c1)CCCC2=NNC1=[NH+]CCN1 ZINC000841660453 587969341 /nfs/dbraw/zinc/96/93/41/587969341.db2.gz YJAFXOJLSSKBJP-UHFFFAOYSA-N 1 0 244.298 0.981 20 30 BCEDRO COc1cc(C(C)=NNC2=[NH+]CCN2)ccn1 ZINC000841660118 587969384 /nfs/dbraw/zinc/96/93/84/587969384.db2.gz FLHUDVWCAWZRIB-UHFFFAOYSA-N 1 0 233.275 0.363 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]CCN2)cc(C)c1O ZINC000841660046 587969397 /nfs/dbraw/zinc/96/93/97/587969397.db2.gz CHSWJPDHXJGXQE-UHFFFAOYSA-N 1 0 232.287 0.892 20 30 BCEDRO C#CCSCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000841832505 587975307 /nfs/dbraw/zinc/97/53/07/587975307.db2.gz PAQJDPUIYDHYMB-RKDXNWHRSA-N 1 0 229.349 0.388 20 30 BCEDRO C#CCCCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000841860835 587978836 /nfs/dbraw/zinc/97/88/36/587978836.db2.gz PXZLNNNXNDCNBI-NSHDSACASA-N 1 0 223.320 0.841 20 30 BCEDRO C#CCCCCNC(=O)NCC1([NH3+])CCC1 ZINC000841861131 587978912 /nfs/dbraw/zinc/97/89/12/587978912.db2.gz SVHJBKXXPURABO-UHFFFAOYSA-N 1 0 223.320 0.971 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841871644 587979303 /nfs/dbraw/zinc/97/93/03/587979303.db2.gz FFBGFQSABZKYPQ-MNOVXSKESA-N 1 0 239.319 0.192 20 30 BCEDRO C#CCOCCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000841876197 587979860 /nfs/dbraw/zinc/97/98/60/587979860.db2.gz UNOVTYIUJNAICW-GHMZBOCLSA-N 1 0 239.319 0.028 20 30 BCEDRO C#C[C@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1CCCO1 ZINC000841881793 587980185 /nfs/dbraw/zinc/98/01/85/587980185.db2.gz UXVKXIWGXDFTBL-VHSXEESVSA-N 1 0 239.319 0.204 20 30 BCEDRO C#CCCCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841884356 587980761 /nfs/dbraw/zinc/98/07/61/587980761.db2.gz BKWGMEDVUSVWEP-GFCCVEGCSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCCCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000841886472 587981425 /nfs/dbraw/zinc/98/14/25/587981425.db2.gz NTZLPNZWVGNUTD-LLVKDONJSA-N 1 0 223.320 0.699 20 30 BCEDRO C#CCCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000841887176 587981527 /nfs/dbraw/zinc/98/15/27/587981527.db2.gz ZNOILOTZSCNDNL-JTQLQIEISA-N 1 0 211.309 0.682 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841912817 587984230 /nfs/dbraw/zinc/98/42/30/587984230.db2.gz AGHKNFUFNAGWKP-BDAKNGLRSA-N 1 0 211.265 0.107 20 30 BCEDRO C=CCONC(=O)NCCC[NH2+]C1CC1 ZINC000841912873 587984811 /nfs/dbraw/zinc/98/48/11/587984811.db2.gz CISMTHDMKJAMPF-UHFFFAOYSA-N 1 0 213.281 0.545 20 30 BCEDRO C=CCONC(=O)N(C)CC(C)(C)C[NH3+] ZINC000841913176 587984819 /nfs/dbraw/zinc/98/48/19/587984819.db2.gz KGNKMLFQVOIGNR-UHFFFAOYSA-N 1 0 215.297 0.730 20 30 BCEDRO C#Cc1cccc(CNC(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000841912886 587984992 /nfs/dbraw/zinc/98/49/92/587984992.db2.gz CTDWYCQYLNHSMT-CYBMUJFWSA-N 1 0 243.310 0.911 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841918907 587985262 /nfs/dbraw/zinc/98/52/62/587985262.db2.gz BYEVOZJRUOCRPZ-ZDUSSCGKSA-N 1 0 247.342 0.797 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000841924347 587985426 /nfs/dbraw/zinc/98/54/26/587985426.db2.gz YIMNCZJDTUUUJK-VHSXEESVSA-N 1 0 209.293 0.307 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000841939003 587985667 /nfs/dbraw/zinc/98/56/67/587985667.db2.gz SOVASXVRAZAVRC-ZJUUUORDSA-N 1 0 209.293 0.307 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000841937195 587985688 /nfs/dbraw/zinc/98/56/88/587985688.db2.gz OWHGTXHASZUXJA-QMMMGPOBSA-N 1 0 217.700 0.790 20 30 BCEDRO C#CCCNC(=O)N[C@@H](C[NH3+])CCCC ZINC000841960122 587986694 /nfs/dbraw/zinc/98/66/94/587986694.db2.gz ZSXVWJZQZHNMIL-SNVBAGLBSA-N 1 0 211.309 0.826 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC([NH3+])(CC)CC ZINC000841954404 587986917 /nfs/dbraw/zinc/98/69/17/587986917.db2.gz LQNFEKIRJWBUJO-SECBINFHSA-N 1 0 211.309 0.825 20 30 BCEDRO C#CCCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000841970430 587987284 /nfs/dbraw/zinc/98/72/84/587987284.db2.gz YPEKIVGAIKBRKC-UHFFFAOYSA-N 1 0 223.320 0.699 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841978307 587987602 /nfs/dbraw/zinc/98/76/02/587987602.db2.gz MRFWTOYJZMYGOQ-ZDUSSCGKSA-N 1 0 247.342 0.797 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000841976489 587987712 /nfs/dbraw/zinc/98/77/12/587987712.db2.gz MDZQHRVBPHTGEI-UTLUCORTSA-N 1 0 209.293 0.305 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000841997003 587988402 /nfs/dbraw/zinc/98/84/02/587988402.db2.gz FSMLEWVUQVEVAF-ZJUUUORDSA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H](C)CCCC[NH3+] ZINC000841996997 587988440 /nfs/dbraw/zinc/98/84/40/587988440.db2.gz FSMLEWVUQVEVAF-UWVGGRQHSA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000842015700 587988913 /nfs/dbraw/zinc/98/89/13/587988913.db2.gz PBHSTSDDQDYCQC-FIQHERPVSA-N 1 0 235.331 0.695 20 30 BCEDRO C=CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000842170821 588006043 /nfs/dbraw/zinc/00/60/43/588006043.db2.gz CVTLSROURIUCQD-GHMZBOCLSA-N 1 0 241.335 0.269 20 30 BCEDRO C#CC[C@@H]1NC(=O)N(C[C@H](C)[N@H+](C)C2CC2)C1=O ZINC000842240634 588008450 /nfs/dbraw/zinc/00/84/50/588008450.db2.gz UDEDCDAVFSJAKS-ONGXEEELSA-N 1 0 249.314 0.413 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cc2n(n1)CCCC2 ZINC000842525434 588033168 /nfs/dbraw/zinc/03/31/68/588033168.db2.gz PHPOKJAFRFXMHS-UHFFFAOYSA-N 1 0 220.280 0.426 20 30 BCEDRO C[C@@H](CO)N(C)N=C1CCC[N@H+](C)CC1 ZINC000842542528 588038766 /nfs/dbraw/zinc/03/87/66/588038766.db2.gz RMUISMRRNBDSAA-JTQLQIEISA-N 1 0 213.325 0.771 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)[C@H]1CCCO1 ZINC000842700295 588054084 /nfs/dbraw/zinc/05/40/84/588054084.db2.gz WWXKLZVGHIABKV-FIQHERPVSA-N 1 0 209.289 0.934 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@H]1CCCO1 ZINC000842700297 588054096 /nfs/dbraw/zinc/05/40/96/588054096.db2.gz WWXKLZVGHIABKV-NOOOWODRSA-N 1 0 209.289 0.934 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CCOC(C)C ZINC000843077072 588079888 /nfs/dbraw/zinc/07/98/88/588079888.db2.gz LHDOLZGZYSQDMW-NWDGAFQWSA-N 1 0 229.320 0.136 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)CCOCC ZINC000843103053 588081519 /nfs/dbraw/zinc/08/15/19/588081519.db2.gz YCTOMHCJKBFPSH-RYUDHWBXSA-N 1 0 229.320 0.138 20 30 BCEDRO C[NH2+]CCN(C)C(=O)c1ccc(C=NOC)cc1 ZINC000843452586 588111697 /nfs/dbraw/zinc/11/16/97/588111697.db2.gz ICOXQJFGVGSHPO-UHFFFAOYSA-N 1 0 249.314 0.958 20 30 BCEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(C)[nH]1 ZINC000843459116 588111818 /nfs/dbraw/zinc/11/18/18/588111818.db2.gz BVQCMWRBRLXKMA-ONGXEEELSA-N 1 0 232.287 0.473 20 30 BCEDRO Cc1[nH]ccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843461517 588112297 /nfs/dbraw/zinc/11/22/97/588112297.db2.gz VEWJFFOBILECKB-PSASIEDQSA-N 1 0 218.260 0.165 20 30 BCEDRO Cc1[nH]ccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843461525 588112473 /nfs/dbraw/zinc/11/24/73/588112473.db2.gz VEWJFFOBILECKB-WPRPVWTQSA-N 1 0 218.260 0.165 20 30 BCEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c1ccccn1 ZINC000843461483 588112505 /nfs/dbraw/zinc/11/25/05/588112505.db2.gz VDKOJGDDUPBGPE-HOSYDEDBSA-N 1 0 244.298 0.413 20 30 BCEDRO Cc1ccc(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)s1 ZINC000843461038 588112778 /nfs/dbraw/zinc/11/27/78/588112778.db2.gz JIRTVGSFZXCTEF-ONGXEEELSA-N 1 0 249.339 0.827 20 30 BCEDRO Cc1c[nH]cc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843464227 588113143 /nfs/dbraw/zinc/11/31/43/588113143.db2.gz ZXVXOBMFOKVZRW-SCZZXKLOSA-N 1 0 218.260 0.165 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cccs1 ZINC000843463372 588113237 /nfs/dbraw/zinc/11/32/37/588113237.db2.gz WGQCBGZODBPIPH-SCZZXKLOSA-N 1 0 235.312 0.518 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843808628 588142049 /nfs/dbraw/zinc/14/20/49/588142049.db2.gz SENQBQMEEKWIOT-CHWSQXEVSA-N 1 0 232.327 0.812 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2OCC[C@@H]2C1 ZINC000843978342 588153136 /nfs/dbraw/zinc/15/31/36/588153136.db2.gz ZCWJTZNBFVKUKC-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO C#CC1CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000844045567 588157696 /nfs/dbraw/zinc/15/76/96/588157696.db2.gz LNIFTKFETYLAPF-JTQLQIEISA-N 1 0 208.305 0.808 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CCCN(C=O)CC1 ZINC000844334280 588185654 /nfs/dbraw/zinc/18/56/54/588185654.db2.gz WRAOALWBOWILRL-NSHDSACASA-N 1 0 209.293 0.843 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)[C@H]1CCCOC1 ZINC000844401412 588189892 /nfs/dbraw/zinc/18/98/92/588189892.db2.gz KXEVVSDRXRBJAK-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000844404763 588190545 /nfs/dbraw/zinc/19/05/45/588190545.db2.gz GQOZLYJTCWZIJW-IJLUTSLNSA-N 1 0 238.331 0.672 20 30 BCEDRO C#CC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000844413536 588190958 /nfs/dbraw/zinc/19/09/58/588190958.db2.gz TVODSJFUNAYEKU-UHFFFAOYSA-N 1 0 204.277 0.623 20 30 BCEDRO C#CCN1CC[N@@H+](CCOC)CC1(C)C ZINC000844431171 588192267 /nfs/dbraw/zinc/19/22/67/588192267.db2.gz AUNDFXMBOWIOQF-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000844464057 588197248 /nfs/dbraw/zinc/19/72/48/588197248.db2.gz VQVAFEUBXXSKPM-DTORHVGOSA-N 1 0 228.242 0.323 20 30 BCEDRO C[C@@H]1CNC(NN=C2CO[C@@H](C)[C@@H]2C)=[NH+]1 ZINC000844589735 588205907 /nfs/dbraw/zinc/20/59/07/588205907.db2.gz JNKAIJOADOAUAH-CSMHCCOUSA-N 1 0 210.281 0.335 20 30 BCEDRO C#CC[NH2+]CC(=O)N1CCc2ccccc2C1 ZINC000105861297 588226829 /nfs/dbraw/zinc/22/68/29/588226829.db2.gz PGQLFSDANKBLFC-UHFFFAOYSA-N 1 0 228.295 0.794 20 30 BCEDRO C=C(C)CONC(=O)NCC[N@@H+](C)CCOC ZINC000845595545 588234648 /nfs/dbraw/zinc/23/46/48/588234648.db2.gz INTSKOBOQTWCND-UHFFFAOYSA-N 1 0 245.323 0.372 20 30 BCEDRO C=C(C)CONC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000845602291 588235244 /nfs/dbraw/zinc/23/52/44/588235244.db2.gz YLZYWKTUQPOCQD-NSHDSACASA-N 1 0 245.323 0.106 20 30 BCEDRO C=C[C@H](C)ONC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000845642174 588239542 /nfs/dbraw/zinc/23/95/42/588239542.db2.gz OEOKTOMMUCDFRQ-VHSXEESVSA-N 1 0 227.308 0.886 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCCC1(C[NH3+])CC1 ZINC000846192454 588259763 /nfs/dbraw/zinc/25/97/63/588259763.db2.gz XEOZYGOOCSYTCP-UHFFFAOYSA-N 1 0 247.342 0.784 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CCF)C(=O)OC ZINC000846423635 588265720 /nfs/dbraw/zinc/26/57/20/588265720.db2.gz COGSMDBCUCZJEB-VIFPVBQESA-N 1 0 246.282 0.122 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](C)CCO ZINC000846597061 588278750 /nfs/dbraw/zinc/27/87/50/588278750.db2.gz RTROSIMAXHPLKX-SNVBAGLBSA-N 1 0 214.309 0.334 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)c1cccc(CC#N)c1 ZINC000846675843 588281902 /nfs/dbraw/zinc/28/19/02/588281902.db2.gz ZFGCYZAJVYLIJP-VIFPVBQESA-N 1 0 217.272 0.830 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000846676338 588282034 /nfs/dbraw/zinc/28/20/34/588282034.db2.gz CRVYPBRFPVBNRG-YFKTTZPYSA-N 1 0 233.315 0.650 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000846676337 588282045 /nfs/dbraw/zinc/28/20/45/588282045.db2.gz CRVYPBRFPVBNRG-WRWGMCAJSA-N 1 0 233.315 0.650 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1O ZINC000846678100 588282211 /nfs/dbraw/zinc/28/22/11/588282211.db2.gz QWULOCGOSDKXEM-MNOVXSKESA-N 1 0 245.282 0.542 20 30 BCEDRO N#Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000846679179 588282293 /nfs/dbraw/zinc/28/22/93/588282293.db2.gz YQBWOINGJUEGOO-VXGBXAGGSA-N 1 0 240.266 0.400 20 30 BCEDRO N#Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000846679177 588282438 /nfs/dbraw/zinc/28/24/38/588282438.db2.gz YQBWOINGJUEGOO-NWDGAFQWSA-N 1 0 240.266 0.400 20 30 BCEDRO C=C1CCN(C(=O)CO[C@H]2CCC[NH2+]C2)CC1 ZINC000846682859 588282460 /nfs/dbraw/zinc/28/24/60/588282460.db2.gz ATVSDIMCLUBWIA-LBPRGKRZSA-N 1 0 238.331 0.934 20 30 BCEDRO C#C[C@@H](C)[N@@H+](C)C[C@H]1CN(CC)C(=O)O1 ZINC000846880087 588293061 /nfs/dbraw/zinc/29/30/61/588293061.db2.gz SNQUEASAZRAHMN-ZJUUUORDSA-N 1 0 210.277 0.781 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@@H](CO)C2CC2)nn1 ZINC000846854866 588293266 /nfs/dbraw/zinc/29/32/66/588293266.db2.gz NIHMVDLGSDUDMJ-LBPRGKRZSA-N 1 0 236.319 0.715 20 30 BCEDRO C#C[C@H]([NH2+]CC[C@H]1CCNC1=O)[C@H]1CCCO1 ZINC000846856876 588293759 /nfs/dbraw/zinc/29/37/59/588293759.db2.gz DRGFJUQOFLAQCG-SDDRHHMPSA-N 1 0 236.315 0.283 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H]1CN(CC)C(=O)O1 ZINC000846874271 588294037 /nfs/dbraw/zinc/29/40/37/588294037.db2.gz YAIWBCSPMOOCSH-LLVKDONJSA-N 1 0 242.319 0.962 20 30 BCEDRO C#C[C@@H]([NH2+]CCCC(=O)N(C)C)[C@@H]1CCCO1 ZINC000846861858 588294218 /nfs/dbraw/zinc/29/42/18/588294218.db2.gz SHCKYQGJYDSILQ-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCC[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000846875476 588295036 /nfs/dbraw/zinc/29/50/36/588295036.db2.gz IBDASFKSVHBLGT-UHFFFAOYSA-N 1 0 204.277 0.555 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000846921181 588296700 /nfs/dbraw/zinc/29/67/00/588296700.db2.gz OGEHIVBMIXHILD-WDEREUQCSA-N 1 0 239.319 0.468 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(C(C)=O)CC1 ZINC000846944410 588298099 /nfs/dbraw/zinc/29/80/99/588298099.db2.gz QHFQYANTQRYDHS-UHFFFAOYSA-N 1 0 236.315 0.427 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CN(CC)C(=O)O1 ZINC000846958493 588298481 /nfs/dbraw/zinc/29/84/81/588298481.db2.gz NUHNVAYNEVTOBI-AXFHLTTASA-N 1 0 240.303 0.760 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CN(CC)C(=O)O1 ZINC000846958498 588298627 /nfs/dbraw/zinc/29/86/27/588298627.db2.gz NUHNVAYNEVTOBI-MXWKQRLJSA-N 1 0 240.303 0.760 20 30 BCEDRO C#CC1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000847011683 588301474 /nfs/dbraw/zinc/30/14/74/588301474.db2.gz QOEXWMCOORWLNL-GFCCVEGCSA-N 1 0 220.316 0.858 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCOCCOC)C1 ZINC000847018603 588301759 /nfs/dbraw/zinc/30/17/59/588301759.db2.gz LUHNEKJIQBCHKG-GFCCVEGCSA-N 1 0 211.305 0.995 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCOCCOC)C1 ZINC000847018604 588302043 /nfs/dbraw/zinc/30/20/43/588302043.db2.gz LUHNEKJIQBCHKG-LBPRGKRZSA-N 1 0 211.305 0.995 20 30 BCEDRO C#C[C@@H]1CCC[N@H+](C[C@@H]2COCCO2)C1 ZINC000847018758 588302125 /nfs/dbraw/zinc/30/21/25/588302125.db2.gz MMLFSEIFKMUPPG-VXGBXAGGSA-N 1 0 209.289 0.747 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)NCCOCC)C1 ZINC000847024513 588303965 /nfs/dbraw/zinc/30/39/65/588303965.db2.gz JQYNBZNJBDXKHP-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCSCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000847516111 588315111 /nfs/dbraw/zinc/31/51/11/588315111.db2.gz HQPQCVARSJEARG-NSHDSACASA-N 1 0 240.372 0.811 20 30 BCEDRO C#CCO[C@@H](C)C(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847820920 588333758 /nfs/dbraw/zinc/33/37/58/588333758.db2.gz WHJQXEULSXJWOS-NWDGAFQWSA-N 1 0 239.315 0.910 20 30 BCEDRO C[NH+](C)CCONC(=O)CCCCC#N ZINC000848159710 588362529 /nfs/dbraw/zinc/36/25/29/588362529.db2.gz GPTVOJQXHKADEM-UHFFFAOYSA-N 1 0 213.281 0.680 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC1(COC)CC1 ZINC000848296860 588371365 /nfs/dbraw/zinc/37/13/65/588371365.db2.gz NHUBDUJQNIDEAB-UHFFFAOYSA-N 1 0 226.320 0.647 20 30 BCEDRO CCC(C)(C)[NH+]1CCN(C(=O)C=NOC)CC1 ZINC000848301418 588371473 /nfs/dbraw/zinc/37/14/73/588371473.db2.gz GJEKZHXZVVYLBK-UHFFFAOYSA-N 1 0 241.335 0.951 20 30 BCEDRO C#CC(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000848302214 588371929 /nfs/dbraw/zinc/37/19/29/588371929.db2.gz SPAQERFYUFOMHV-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C=C(CO)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848351571 588372864 /nfs/dbraw/zinc/37/28/64/588372864.db2.gz FUOFTZMYCGVMBY-NEPJUHHUSA-N 1 0 238.331 0.668 20 30 BCEDRO C=C(CO)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848351572 588372900 /nfs/dbraw/zinc/37/29/00/588372900.db2.gz FUOFTZMYCGVMBY-NWDGAFQWSA-N 1 0 238.331 0.668 20 30 BCEDRO CON=CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848352098 588373116 /nfs/dbraw/zinc/37/31/16/588373116.db2.gz LIGUMOUCLOCADU-MNOVXSKESA-N 1 0 239.319 0.752 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C[C@H](C)O)C1CC1 ZINC000848359882 588373886 /nfs/dbraw/zinc/37/38/86/588373886.db2.gz TWIAUXXMEXJLSE-JTQLQIEISA-N 1 0 226.320 0.476 20 30 BCEDRO NC(=O)CNN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848407635 588378429 /nfs/dbraw/zinc/37/84/29/588378429.db2.gz AUIBUMDIURLJEK-JTQLQIEISA-N 1 0 224.308 0.066 20 30 BCEDRO C[C@H](CO)NN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848406561 588378573 /nfs/dbraw/zinc/37/85/73/588378573.db2.gz GYXSJODRYYYUIH-ZYHUDNBSSA-N 1 0 225.336 0.961 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cc3n(n2)CCCC3)N1 ZINC000848408763 588379182 /nfs/dbraw/zinc/37/91/82/588379182.db2.gz ZCACPXMJQZHWNH-SECBINFHSA-N 1 0 246.318 0.491 20 30 BCEDRO OCCNN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848410510 588380005 /nfs/dbraw/zinc/38/00/05/588380005.db2.gz QAFKRHRFCLZJJV-LLVKDONJSA-N 1 0 211.309 0.573 20 30 BCEDRO C#C[C@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000848910544 588419112 /nfs/dbraw/zinc/41/91/12/588419112.db2.gz MBWAVZXJTJTXMO-WCQYABFASA-N 1 0 222.332 0.851 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCN2Cc3ccccc3C2)N1 ZINC000848996794 588429390 /nfs/dbraw/zinc/42/93/90/588429390.db2.gz DCGJNTAOIVSYSG-LLVKDONJSA-N 1 0 244.342 0.940 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCNc1ncccn1 ZINC000849000075 588430184 /nfs/dbraw/zinc/43/01/84/588430184.db2.gz DBAKKNBHLWZPIF-UHFFFAOYSA-N 1 0 248.334 0.969 20 30 BCEDRO C[NH+]=C(NC[C@@H](O)COCC1CC1)NC1CC1 ZINC000849000003 588430402 /nfs/dbraw/zinc/43/04/02/588430402.db2.gz FGYYCFZNIFXZLK-LLVKDONJSA-N 1 0 241.335 0.101 20 30 BCEDRO C=CCNC(=[NH2+])NCC(=O)NC1CCCC1 ZINC000848999790 588430409 /nfs/dbraw/zinc/43/04/09/588430409.db2.gz QRUHHFWAUZDNTO-UHFFFAOYSA-N 1 0 224.308 0.345 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](O)COCC1CC1 ZINC000849000529 588430602 /nfs/dbraw/zinc/43/06/02/588430602.db2.gz YZPOIMULZMWDEE-JTQLQIEISA-N 1 0 227.308 0.074 20 30 BCEDRO C=CCNC(=[NH2+])NCCNC(=O)c1ccccc1 ZINC000849002925 588431086 /nfs/dbraw/zinc/43/10/86/588431086.db2.gz LBQPYPHNUVTLPW-UHFFFAOYSA-N 1 0 246.314 0.716 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCCNC(=O)C2CCC2)N1 ZINC000849004630 588432031 /nfs/dbraw/zinc/43/20/31/588432031.db2.gz SFYRNYNPYYXAAZ-VIFPVBQESA-N 1 0 238.335 0.230 20 30 BCEDRO COc1cc(CCNC2=[NH+]C[C@@H](C)N2)ccc1O ZINC000849005341 588432225 /nfs/dbraw/zinc/43/22/25/588432225.db2.gz LQUCMASHTZBTPK-SECBINFHSA-N 1 0 249.314 0.881 20 30 BCEDRO C[NH+]=C(NC[C@H](OC)C(C)C)NC1CC1 ZINC000849004615 588432278 /nfs/dbraw/zinc/43/22/78/588432278.db2.gz RQRURTSSSJDTCO-JTQLQIEISA-N 1 0 213.325 0.985 20 30 BCEDRO C[NH+]=C(NC[C@@H](OC)C(C)C)NC1CC1 ZINC000849004616 588432345 /nfs/dbraw/zinc/43/23/45/588432345.db2.gz RQRURTSSSJDTCO-SNVBAGLBSA-N 1 0 213.325 0.985 20 30 BCEDRO CNC(NCC1CCN(C(C)=O)CC1)=[NH+]C ZINC000849006218 588432495 /nfs/dbraw/zinc/43/24/95/588432495.db2.gz JLVIIVLUDQICFH-UHFFFAOYSA-N 1 0 226.324 0.040 20 30 BCEDRO C[NH+]=C(NCc1ccc(C(N)=O)nc1)NC1CC1 ZINC000849012100 588435637 /nfs/dbraw/zinc/43/56/37/588435637.db2.gz IXFXGCGJJXEKDN-UHFFFAOYSA-N 1 0 247.302 0.008 20 30 BCEDRO CNC(NCCc1cnc(C)s1)=[NH+]C ZINC000849013643 588435761 /nfs/dbraw/zinc/43/57/61/588435761.db2.gz FZOCKIFBQSHKHD-UHFFFAOYSA-N 1 0 212.322 0.789 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])N[C@@H](C)COC ZINC000849015628 588436643 /nfs/dbraw/zinc/43/66/43/588436643.db2.gz FYFIFMFQHHXVPM-VHSXEESVSA-N 1 0 229.324 0.320 20 30 BCEDRO CNC(NCC1([C@H](O)C(C)C)CC1)=[NH+]C ZINC000849016774 588437456 /nfs/dbraw/zinc/43/74/56/588437456.db2.gz ILNYQLLHVZGYTB-SECBINFHSA-N 1 0 213.325 0.578 20 30 BCEDRO N#CCCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000849017508 588437517 /nfs/dbraw/zinc/43/75/17/588437517.db2.gz KZAQJIOFOBKDOY-SECBINFHSA-N 1 0 210.281 0.583 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC(C)(C)C#N ZINC000849017148 588437556 /nfs/dbraw/zinc/43/75/56/588437556.db2.gz GWZNIICYRDWSCM-QMMMGPOBSA-N 1 0 212.297 0.685 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NC(C)C ZINC000849017537 588437693 /nfs/dbraw/zinc/43/76/93/588437693.db2.gz NIMQHPRCEBXMHY-UHFFFAOYSA-N 1 0 233.337 0.110 20 30 BCEDRO C[NH+]=C(NCC[C@H]1CCOC1)NC1CC1 ZINC000849017683 588437784 /nfs/dbraw/zinc/43/77/84/588437784.db2.gz CENQEGYMJNFOTN-VIFPVBQESA-N 1 0 211.309 0.740 20 30 BCEDRO C#CCOCCNC(=[NH2+])NCCc1ccccc1 ZINC000849017861 588437838 /nfs/dbraw/zinc/43/78/38/588437838.db2.gz KSCOEXRIMVNLGE-UHFFFAOYSA-N 1 0 245.326 0.993 20 30 BCEDRO CNC(NCc1nn(C)c2ccccc12)=[NH+]C ZINC000849018994 588438097 /nfs/dbraw/zinc/43/80/97/588438097.db2.gz YBKQACHLLRCLRB-UHFFFAOYSA-N 1 0 231.303 0.868 20 30 BCEDRO CNC(NCC[C@@H](OC)C(F)(F)F)=[NH+]C ZINC000849021916 588439236 /nfs/dbraw/zinc/43/92/36/588439236.db2.gz YKAALZGRUXAICX-ZCFIWIBFSA-N 1 0 227.230 0.749 20 30 BCEDRO CN(C)C(=[NH+]CCCCCO)N(C)C ZINC000849024688 588439971 /nfs/dbraw/zinc/43/99/71/588439971.db2.gz ZUSPUKRBDQFKAC-UHFFFAOYSA-N 1 0 201.314 0.628 20 30 BCEDRO CCOCCCNC(=[NH2+])NCC1(C#N)CC1 ZINC000849025665 588440604 /nfs/dbraw/zinc/44/06/04/588440604.db2.gz AMXXLFYSKCMTBF-UHFFFAOYSA-N 1 0 224.308 0.831 20 30 BCEDRO CCn1cc(CNC(NC2CC2)=[NH+]C)cn1 ZINC000849027431 588441010 /nfs/dbraw/zinc/44/10/10/588441010.db2.gz ZBUSOGZHCJGWQD-UHFFFAOYSA-N 1 0 221.308 0.730 20 30 BCEDRO CN(C)C(=[NH+]CC1([S@](C)=O)CC1)N(C)C ZINC000849026761 588441030 /nfs/dbraw/zinc/44/10/30/588441030.db2.gz SKLRRBKUWWVKSC-HNNXBMFYSA-N 1 0 231.365 0.377 20 30 BCEDRO CCc1noc(C)c1CNC(NC)=[NH+]C ZINC000849030729 588442651 /nfs/dbraw/zinc/44/26/51/588442651.db2.gz NDWPTNMDQUVDAK-UHFFFAOYSA-N 1 0 210.281 0.840 20 30 BCEDRO C[C@@H](CCO)CC[NH+]=C(N(C)C)N(C)C ZINC000849032611 588443406 /nfs/dbraw/zinc/44/34/06/588443406.db2.gz SEJJQSZHFPEQCZ-SNVBAGLBSA-N 1 0 215.341 0.874 20 30 BCEDRO CNC(NC[C@@H](CO)C1CCCCC1)=[NH+]C ZINC000849033590 588443790 /nfs/dbraw/zinc/44/37/90/588443790.db2.gz RAHXORLPGVSQQO-NSHDSACASA-N 1 0 227.352 0.970 20 30 BCEDRO Cc1nccnc1CC[NH+]=C(N(C)C)N(C)C ZINC000849033458 588444027 /nfs/dbraw/zinc/44/40/27/588444027.db2.gz LLVUYZKBZDJTAL-UHFFFAOYSA-N 1 0 235.335 0.807 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nnc(C(C)C)[nH]1 ZINC000849035206 588444552 /nfs/dbraw/zinc/44/45/52/588444552.db2.gz SSGRFUAXRMUYRW-UHFFFAOYSA-N 1 0 222.296 0.728 20 30 BCEDRO CCNC(NC[C@@H]1CCOC[C@H]1OC)=[NH+]CC ZINC000849036044 588445071 /nfs/dbraw/zinc/44/50/71/588445071.db2.gz KTSHMGZKLHQRLM-WDEREUQCSA-N 1 0 243.351 0.613 20 30 BCEDRO CNC(NCc1nc(-c2ccccn2)n[nH]1)=[NH+]C ZINC000849038680 588446178 /nfs/dbraw/zinc/44/61/78/588446178.db2.gz SFWQWSZQWNFFPZ-UHFFFAOYSA-N 1 0 245.290 0.162 20 30 BCEDRO CNC(NC[C@@H]1CCOC(C)(C)C1)=[NH+]C ZINC000849039120 588446606 /nfs/dbraw/zinc/44/66/06/588446606.db2.gz JHGZKAHDIDJLCU-SECBINFHSA-N 1 0 213.325 0.986 20 30 BCEDRO Cc1cnc(CC[NH+]=C(N(C)C)N(C)C)cn1 ZINC000849039897 588447160 /nfs/dbraw/zinc/44/71/60/588447160.db2.gz XSUQJZMCBQNNBG-UHFFFAOYSA-N 1 0 235.335 0.807 20 30 BCEDRO Cc1cnc(CCNC2=[NH+]CCN2C)cn1 ZINC000849039535 588447258 /nfs/dbraw/zinc/44/72/58/588447258.db2.gz DOPGTONPSSSTQI-UHFFFAOYSA-N 1 0 219.292 0.219 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCC(C)(C)S(C)(=O)=O)N1 ZINC000849042283 588448240 /nfs/dbraw/zinc/44/82/40/588448240.db2.gz HABDUIQTHWDHCP-QMMMGPOBSA-N 1 0 247.364 0.137 20 30 BCEDRO CN(C)C(=[NH+]Cc1nc2ncccn2n1)N(C)C ZINC000849042451 588448528 /nfs/dbraw/zinc/44/85/28/588448528.db2.gz OFZVBFMZSXGNKI-UHFFFAOYSA-N 1 0 247.306 0.104 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1(CC(N)=O)CC1 ZINC000849043387 588448737 /nfs/dbraw/zinc/44/87/37/588448737.db2.gz BBYBUGDOUSMVFP-UHFFFAOYSA-N 1 0 224.308 0.332 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NCCCC)nn1 ZINC000849044510 588449008 /nfs/dbraw/zinc/44/90/08/588449008.db2.gz TTZUAZXVOPCYNP-UHFFFAOYSA-N 1 0 236.323 0.878 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])N[C@@H](C)CC)nn1 ZINC000849044569 588449017 /nfs/dbraw/zinc/44/90/17/588449017.db2.gz XPCOIENMKNLSLF-VIFPVBQESA-N 1 0 236.323 0.877 20 30 BCEDRO C=C(C)CNC(=[NH2+])N[C@H](CO)CCF ZINC000849048562 588451130 /nfs/dbraw/zinc/45/11/30/588451130.db2.gz JEQUFWONGRHGTM-QMMMGPOBSA-N 1 0 203.261 0.397 20 30 BCEDRO CNC(NCc1ccccc1CC(=O)OC)=[NH+]C ZINC000849049065 588451587 /nfs/dbraw/zinc/45/15/87/588451587.db2.gz BWFLDSWLWHUKPJ-UHFFFAOYSA-N 1 0 249.314 0.697 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCC2(CO)CCC2)N1 ZINC000849050052 588451771 /nfs/dbraw/zinc/45/17/71/588451771.db2.gz XNUQCHWLYPBOEH-VIFPVBQESA-N 1 0 211.309 0.476 20 30 BCEDRO C[NH+]=C(NCCC1(CO)CCC1)NC1CC1 ZINC000849050041 588451934 /nfs/dbraw/zinc/45/19/34/588451934.db2.gz XHJDQGKPZXJAGA-UHFFFAOYSA-N 1 0 225.336 0.867 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cc(C(N)=O)co1 ZINC000849097359 588452681 /nfs/dbraw/zinc/45/26/81/588452681.db2.gz CPVLGISNNHISLX-UHFFFAOYSA-N 1 0 222.248 0.178 20 30 BCEDRO C[C@@H]([NH3+])c1cn(CC2(CC#N)CC2)nn1 ZINC000849145378 588455357 /nfs/dbraw/zinc/45/53/57/588455357.db2.gz ZHNZPBFRCDCYMI-MRVPVSSYSA-N 1 0 205.265 0.992 20 30 BCEDRO C=C[C@@](C)(O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000849155351 588456582 /nfs/dbraw/zinc/45/65/82/588456582.db2.gz AQYFYAGUENLKDT-MWLCHTKSSA-N 1 0 222.292 0.596 20 30 BCEDRO CNC(NCc1cnc(C(F)(F)F)nc1)=[NH+]C ZINC000849215082 588461772 /nfs/dbraw/zinc/46/17/72/588461772.db2.gz MFVQPVHZAKMSTA-UHFFFAOYSA-N 1 0 247.224 0.790 20 30 BCEDRO CNC(NCc1cc2c([nH]c1=O)CCC2)=[NH+]C ZINC000849214497 588461933 /nfs/dbraw/zinc/46/19/33/588461933.db2.gz HCUKDMDQHFETBE-UHFFFAOYSA-N 1 0 234.303 0.571 20 30 BCEDRO CCNC(NCCc1cncc(C)n1)=[NH+]CC ZINC000849215043 588462003 /nfs/dbraw/zinc/46/20/03/588462003.db2.gz KGZHDZDKISXXJE-UHFFFAOYSA-N 1 0 235.335 0.903 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc(Cl)n1C ZINC000850410423 588544487 /nfs/dbraw/zinc/54/44/87/588544487.db2.gz MJKRHYCILWORHV-SSDOTTSWSA-N 1 0 215.684 0.710 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@@H]2COC3(CCC3)C2)n1 ZINC000850469475 588549171 /nfs/dbraw/zinc/54/91/71/588549171.db2.gz QMEQENSTZXFXOL-JTQLQIEISA-N 1 0 247.302 0.451 20 30 BCEDRO C=CCN(CCn1cccn1)CC(=O)OCC ZINC000110054287 588609740 /nfs/dbraw/zinc/60/97/40/588609740.db2.gz AEGXNRGGJAPQPU-UHFFFAOYSA-N 1 0 237.303 0.934 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000851662583 588613535 /nfs/dbraw/zinc/61/35/35/588613535.db2.gz XIKLOSKRXADHPI-ZJUUUORDSA-N 1 0 227.308 0.873 20 30 BCEDRO C#C[C@H](NC(=O)N1CC2CC1(C[NH3+])C2)C(C)C ZINC000851662672 588613651 /nfs/dbraw/zinc/61/36/51/588613651.db2.gz YYPDOCJNPSYPPV-AKJDGMEZSA-N 1 0 235.331 0.777 20 30 BCEDRO C=CCOCCCNC(=O)N[C@@H](C)C[NH3+] ZINC000851663849 588613751 /nfs/dbraw/zinc/61/37/51/588613751.db2.gz KWXZUNVOFSCPAV-VIFPVBQESA-N 1 0 215.297 0.226 20 30 BCEDRO C=CCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000851669001 588614155 /nfs/dbraw/zinc/61/41/55/588614155.db2.gz VBVLOBWIADJLPZ-QMMMGPOBSA-N 1 0 233.262 0.859 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676623 588614549 /nfs/dbraw/zinc/61/45/49/588614549.db2.gz LYKAYYXYTJHMNC-QWKFWESOSA-N 1 0 235.331 0.840 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N1CCC(C#N)CC1 ZINC000851681250 588614670 /nfs/dbraw/zinc/61/46/70/588614670.db2.gz MYBSBLXBDREMFV-VIFPVBQESA-N 1 0 224.308 0.539 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000851721259 588617411 /nfs/dbraw/zinc/61/74/11/588617411.db2.gz FZJDBIQILQAKNA-NSHDSACASA-N 1 0 224.304 0.189 20 30 BCEDRO C#CCOCC[N@@H+](CCCC)CC(N)=O ZINC000851727971 588618318 /nfs/dbraw/zinc/61/83/18/588618318.db2.gz CGPJBWPEWALMTL-UHFFFAOYSA-N 1 0 212.293 0.224 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000851730473 588619236 /nfs/dbraw/zinc/61/92/36/588619236.db2.gz OWYWGZBQMFIPKQ-SNVBAGLBSA-N 1 0 211.261 0.131 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](C(=O)OC)C1 ZINC000851747007 588622452 /nfs/dbraw/zinc/62/24/52/588622452.db2.gz DOTORGVBZGBMQT-NSHDSACASA-N 1 0 225.288 0.521 20 30 BCEDRO C#CCOCCN(CC)[C@H](C)CS(C)(=O)=O ZINC000851768828 588625312 /nfs/dbraw/zinc/62/53/12/588625312.db2.gz CSWFFMXYNCMITE-LLVKDONJSA-N 1 0 247.360 0.391 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000851769671 588625436 /nfs/dbraw/zinc/62/54/36/588625436.db2.gz MURVXEJCCWQIJV-LLVKDONJSA-N 1 0 224.304 0.094 20 30 BCEDRO CC(C)C[N@H+](CCC#N)C[C@@H]1CNC(=O)C1 ZINC000851779712 588626904 /nfs/dbraw/zinc/62/69/04/588626904.db2.gz UWZXIWPKPVGBFY-NSHDSACASA-N 1 0 223.320 0.994 20 30 BCEDRO C#CCN(CC#CC)CCc1cn[nH]n1 ZINC000851784756 588628184 /nfs/dbraw/zinc/62/81/84/588628184.db2.gz KJPGOTFDIPMHPY-UHFFFAOYSA-N 1 0 202.261 0.306 20 30 BCEDRO C#CCOCC[NH+]1CCC(O)(CC)CC1 ZINC000851787352 588628666 /nfs/dbraw/zinc/62/86/66/588628666.db2.gz UPAUKMHOCYMWRK-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCOCCN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000851801481 588630818 /nfs/dbraw/zinc/63/08/18/588630818.db2.gz KUSXPISAEUNQQB-CYBMUJFWSA-N 1 0 224.348 0.910 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000851803162 588631221 /nfs/dbraw/zinc/63/12/21/588631221.db2.gz DUEGZVYVBTYBDF-SECBINFHSA-N 1 0 237.221 0.635 20 30 BCEDRO C#CCOCCN1CCN(C)C(=O)C1(C)C ZINC000851808367 588631863 /nfs/dbraw/zinc/63/18/63/588631863.db2.gz MRWYVXOEURLUMK-UHFFFAOYSA-N 1 0 224.304 0.189 20 30 BCEDRO C#CCOCC[N@H+](CC(N)=O)C(C)(C)C ZINC000851819245 588633492 /nfs/dbraw/zinc/63/34/92/588633492.db2.gz SWIMVBZHJGGTKM-UHFFFAOYSA-N 1 0 212.293 0.222 20 30 BCEDRO C#CCCN1CC[NH+](CCC(OC)OC)CC1 ZINC000851872283 588637590 /nfs/dbraw/zinc/63/75/90/588637590.db2.gz AOAXVWFNEOUCNM-UHFFFAOYSA-N 1 0 240.347 0.636 20 30 BCEDRO C#CCCN1CC[NH+](C[C@H](COC)OC)CC1 ZINC000851872296 588637633 /nfs/dbraw/zinc/63/76/33/588637633.db2.gz AYKWVIZQVFZEBV-CYBMUJFWSA-N 1 0 240.347 0.289 20 30 BCEDRO C#CCCN1CC[NH+](C[C@@H](COC)OC)CC1 ZINC000851872297 588637722 /nfs/dbraw/zinc/63/77/22/588637722.db2.gz AYKWVIZQVFZEBV-ZDUSSCGKSA-N 1 0 240.347 0.289 20 30 BCEDRO C#CCOCC[N@@H+]1CCOC[C@H]1C1CC1 ZINC000851878668 588638804 /nfs/dbraw/zinc/63/88/04/588638804.db2.gz FHFOELZOBSGNOI-LBPRGKRZSA-N 1 0 209.289 0.747 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000851881500 588639264 /nfs/dbraw/zinc/63/92/64/588639264.db2.gz ZQBVVGBEIYWLOE-VXGBXAGGSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000851887667 588640479 /nfs/dbraw/zinc/64/04/79/588640479.db2.gz SVSLONPFSQRRDM-NWDGAFQWSA-N 1 0 210.321 0.661 20 30 BCEDRO C#CCOCC[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000851889839 588640931 /nfs/dbraw/zinc/64/09/31/588640931.db2.gz PQZPMKMRESDULT-RYUDHWBXSA-N 1 0 210.321 0.661 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H](CO)CC(C)C ZINC000851948383 588646898 /nfs/dbraw/zinc/64/68/98/588646898.db2.gz CLKJKHOLKWDZNJ-LBPRGKRZSA-N 1 0 213.321 0.975 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1CCC(=O)O1)[C@@H]1CCCO1 ZINC000851949812 588646978 /nfs/dbraw/zinc/64/69/78/588646978.db2.gz JQBKAICICCQVRK-VWYCJHECSA-N 1 0 223.272 0.462 20 30 BCEDRO C#CCOCC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000851966688 588648541 /nfs/dbraw/zinc/64/85/41/588648541.db2.gz QTKKAMQMYOTEQH-QWRGUYRKSA-N 1 0 211.305 0.870 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000851968882 588649134 /nfs/dbraw/zinc/64/91/34/588649134.db2.gz UNMBOABODLMMGO-NSHDSACASA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000851983997 588651242 /nfs/dbraw/zinc/65/12/42/588651242.db2.gz OPQFZXWIRJDFCU-NEPJUHHUSA-N 1 0 211.305 0.777 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@H](OC)[C@@H]1CCOC1 ZINC000851990795 588653190 /nfs/dbraw/zinc/65/31/90/588653190.db2.gz WJUSCBVWVSLIGW-TUAOUCFPSA-N 1 0 211.305 0.991 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](CO)CC1 ZINC000852094389 588661377 /nfs/dbraw/zinc/66/13/77/588661377.db2.gz YYIJKLJMDYRYNF-LBPRGKRZSA-N 1 0 211.305 0.731 20 30 BCEDRO CC#CC[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000852094450 588661395 /nfs/dbraw/zinc/66/13/95/588661395.db2.gz LNOBDADMAGAMJR-CQSZACIVSA-N 1 0 246.310 0.315 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000852103370 588661518 /nfs/dbraw/zinc/66/15/18/588661518.db2.gz FWZNYRKKQHTXKC-NXEZZACHSA-N 1 0 217.334 0.811 20 30 BCEDRO C#CCOCC[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000852096526 588661826 /nfs/dbraw/zinc/66/18/26/588661826.db2.gz ZNALPPCEVGIBJT-TXEJJXNPSA-N 1 0 210.321 0.661 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)NCC(=O)OC ZINC000852102142 588663073 /nfs/dbraw/zinc/66/30/73/588663073.db2.gz WHLNQKLHGFXKJQ-JOYOIKCWSA-N 1 0 240.303 0.056 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCCOC(=O)NC(N)=O ZINC000852101786 588663147 /nfs/dbraw/zinc/66/31/47/588663147.db2.gz SXMOKEAYQUZJKU-NSHDSACASA-N 1 0 241.291 0.573 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCN1C(=O)CN(C)C1=O ZINC000852105492 588664188 /nfs/dbraw/zinc/66/41/88/588664188.db2.gz VYCPAWZIIOZKMR-LBPRGKRZSA-N 1 0 237.303 0.272 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@](C)(COC)C1 ZINC000852111393 588664535 /nfs/dbraw/zinc/66/45/35/588664535.db2.gz GAYSXDPXLMVMBT-GFCCVEGCSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CCOCC[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000852176324 588669652 /nfs/dbraw/zinc/66/96/52/588669652.db2.gz ABLOHESUGHGHJW-GFCCVEGCSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000852274527 588675323 /nfs/dbraw/zinc/67/53/23/588675323.db2.gz COJRZAUUALTLID-GFCCVEGCSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000852276852 588675575 /nfs/dbraw/zinc/67/55/75/588675575.db2.gz DWZHXOYKOYEVAP-NSHDSACASA-N 1 0 223.320 0.601 20 30 BCEDRO C=CCNC(=O)CN1CCC2=C(CCC(=O)N2)C1 ZINC000852301008 588677374 /nfs/dbraw/zinc/67/73/74/588677374.db2.gz ZMVUBKIOGNEAOK-UHFFFAOYSA-N 1 0 249.314 0.158 20 30 BCEDRO CON(C)C(=O)CN1CCC[C@@H](CC#N)C1 ZINC000852319290 588678033 /nfs/dbraw/zinc/67/80/33/588678033.db2.gz JPNZFEXPUNDUTE-JTQLQIEISA-N 1 0 225.292 0.632 20 30 BCEDRO C#CC[NH2+][C@H](CO)[C@@H]1CCC[C@H](OC)C1 ZINC000852349559 588679280 /nfs/dbraw/zinc/67/92/80/588679280.db2.gz KSTZESPOMSNCSB-GRYCIOLGSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[NH2+][C@H](CO)[C@H]1CCC[C@@H](OC)C1 ZINC000852349561 588679316 /nfs/dbraw/zinc/67/93/16/588679316.db2.gz KSTZESPOMSNCSB-QJPTWQEYSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000852359805 588679955 /nfs/dbraw/zinc/67/99/55/588679955.db2.gz NZNVJYVLSOZEEW-CHWSQXEVSA-N 1 0 249.358 0.993 20 30 BCEDRO N#CCCC[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852433133 588682459 /nfs/dbraw/zinc/68/24/59/588682459.db2.gz SQEQQHIJFYQZFF-JTQLQIEISA-N 1 0 223.276 0.817 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CCF)CCOC ZINC000852479642 588683226 /nfs/dbraw/zinc/68/32/26/588683226.db2.gz HWHCPGLMIDWWGR-UHFFFAOYSA-N 1 0 230.283 0.044 20 30 BCEDRO C=CC[N@@H+](CCS(N)(=O)=O)C(C)(C)C ZINC000852554571 588689674 /nfs/dbraw/zinc/68/96/74/588689674.db2.gz RRFSGBZBTBOGOD-UHFFFAOYSA-N 1 0 220.338 0.561 20 30 BCEDRO C#CCOCC[N@@H+](C)CCN(C)C(=O)OC ZINC000852566678 588690880 /nfs/dbraw/zinc/69/08/80/588690880.db2.gz ICVGTKVQTYCYQA-UHFFFAOYSA-N 1 0 228.292 0.266 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000852583557 588692107 /nfs/dbraw/zinc/69/21/07/588692107.db2.gz YBWZBRKXEZEZNR-GHMZBOCLSA-N 1 0 236.315 0.019 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852633690 588693345 /nfs/dbraw/zinc/69/33/45/588693345.db2.gz CROKYYTXDYZUNX-NXEZZACHSA-N 1 0 207.277 0.358 20 30 BCEDRO CCN(C[C@H](O)C[NH+]1CCCC1)[C@@H](C)C#N ZINC000852641127 588693837 /nfs/dbraw/zinc/69/38/37/588693837.db2.gz MRTXOEWGRZPHCT-NWDGAFQWSA-N 1 0 225.336 0.677 20 30 BCEDRO C[C@]1(C#N)CCN(C[C@H]2CCC(=O)O2)C1 ZINC000852686109 588694066 /nfs/dbraw/zinc/69/40/66/588694066.db2.gz FYFPFRAUKGPFTR-MWLCHTKSSA-N 1 0 208.261 0.928 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000852682395 588695705 /nfs/dbraw/zinc/69/57/05/588695705.db2.gz ZKMIQJKECQRUSM-LLVKDONJSA-N 1 0 206.289 0.564 20 30 BCEDRO C#CCC[N@H+](CCOC)CCO[C@@H](C)C#N ZINC000852748472 588697122 /nfs/dbraw/zinc/69/71/22/588697122.db2.gz ACZDBKZBFXKACN-LBPRGKRZSA-N 1 0 224.304 0.887 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000852704000 588697330 /nfs/dbraw/zinc/69/73/30/588697330.db2.gz NSEYIADJVVUHEG-AAEUAGOBSA-N 1 0 238.331 0.076 20 30 BCEDRO C#CCC[N@H+](CCOC)CCOCC#C ZINC000852749717 588698657 /nfs/dbraw/zinc/69/86/57/588698657.db2.gz CVPHXUFOFPTZSU-UHFFFAOYSA-N 1 0 209.289 0.608 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@H](O)CSC ZINC000852748500 588699434 /nfs/dbraw/zinc/69/94/34/588699434.db2.gz BIVUIHVCESCTTC-NSHDSACASA-N 1 0 231.361 0.682 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCc1cncn1C ZINC000852748801 588699446 /nfs/dbraw/zinc/69/94/46/588699446.db2.gz HEDKGVDYORZYIA-UHFFFAOYSA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCCN(CCOC)CC(=O)NCC=C ZINC000852752125 588699856 /nfs/dbraw/zinc/69/98/56/588699856.db2.gz UCXYNWANYLCIBV-UHFFFAOYSA-N 1 0 224.304 0.260 20 30 BCEDRO C#CCNC(=O)C[NH2+]C1(COC)CCCCC1 ZINC000852771325 588701150 /nfs/dbraw/zinc/70/11/50/588701150.db2.gz MIJQQGCDOSYILY-UHFFFAOYSA-N 1 0 238.331 0.675 20 30 BCEDRO COc1cc(C(=O)N2CC[C@H]([NH3+])C2)ccc1C#N ZINC000852795658 588703597 /nfs/dbraw/zinc/70/35/97/588703597.db2.gz ZDFAFXHLTFFPKC-NSHDSACASA-N 1 0 245.282 0.740 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCC(F)(F)F ZINC000852813401 588705077 /nfs/dbraw/zinc/70/50/77/588705077.db2.gz LYFZLOBJKKVDPB-UHFFFAOYSA-N 1 0 234.221 0.668 20 30 BCEDRO Cc1cc(CNC(=O)C#CC2CC[NH2+]CC2)no1 ZINC000852814571 588705141 /nfs/dbraw/zinc/70/51/41/588705141.db2.gz WZADYBLUBKTEQQ-UHFFFAOYSA-N 1 0 247.298 0.602 20 30 BCEDRO C[C@@H]1C[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852812679 588705305 /nfs/dbraw/zinc/70/53/05/588705305.db2.gz DQIOGAUAJGAPEX-PWSUYJOCSA-N 1 0 220.316 0.762 20 30 BCEDRO COC[C@@H](C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852823966 588705837 /nfs/dbraw/zinc/70/58/37/588705837.db2.gz NDQYIAZGVOTXAV-NSHDSACASA-N 1 0 238.331 0.388 20 30 BCEDRO COCCCN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852822900 588705872 /nfs/dbraw/zinc/70/58/72/588705872.db2.gz WVVPXHOTHIDLOM-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO CO[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)C1CCC1 ZINC000852827094 588706117 /nfs/dbraw/zinc/70/61/17/588706117.db2.gz BINACFSNFLRUOL-AXFHLTTASA-N 1 0 237.303 0.029 20 30 BCEDRO C/C(=C/C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c1ccco1 ZINC000852827152 588706265 /nfs/dbraw/zinc/70/62/65/588706265.db2.gz CEJBOEYEZTZSKI-XFDQCWFDSA-N 1 0 245.282 0.911 20 30 BCEDRO C[C@H](Cc1ccco1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852827526 588706396 /nfs/dbraw/zinc/70/63/96/588706396.db2.gz KBHGPZXLKMLJFG-JFGNBEQYSA-N 1 0 247.298 0.686 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000852827583 588706461 /nfs/dbraw/zinc/70/64/61/588706461.db2.gz LKRQYRAIFAAHSE-ZKKRXERASA-N 1 0 219.288 0.260 20 30 BCEDRO C=CC[C@@]1(C(=O)NCCn2cncn2)CCC[NH2+]1 ZINC000852835069 588706822 /nfs/dbraw/zinc/70/68/22/588706822.db2.gz BSVYQAYMPPMZMO-LBPRGKRZSA-N 1 0 249.318 0.093 20 30 BCEDRO C=CC1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852838797 588707076 /nfs/dbraw/zinc/70/70/76/588707076.db2.gz OZTAKQWFAMXJBA-SNVBAGLBSA-N 1 0 237.303 0.515 20 30 BCEDRO CC1(CNC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852847551 588708049 /nfs/dbraw/zinc/70/80/49/588708049.db2.gz UDDZBZSYFJZGMN-UHFFFAOYSA-N 1 0 220.316 0.906 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCc1ccncc1 ZINC000852855713 588708578 /nfs/dbraw/zinc/70/85/78/588708578.db2.gz GWAPCEJKAWBJMM-UHFFFAOYSA-N 1 0 243.310 0.701 20 30 BCEDRO CSC(C)(C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852875158 588710110 /nfs/dbraw/zinc/71/01/10/588710110.db2.gz FWJHGPYDKSXASN-JGVFFNPUSA-N 1 0 227.333 0.356 20 30 BCEDRO C=C1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852894768 588712136 /nfs/dbraw/zinc/71/21/36/588712136.db2.gz UGLOZXVAJGDPKP-VIFPVBQESA-N 1 0 223.276 0.269 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(C#N)c(OC)c1 ZINC000852923318 588713617 /nfs/dbraw/zinc/71/36/17/588713617.db2.gz CICQNDLYRIZJGX-VIFPVBQESA-N 1 0 247.298 0.905 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCCOCCF ZINC000852926583 588713775 /nfs/dbraw/zinc/71/37/75/588713775.db2.gz DDYZWYSHSLRLGR-UHFFFAOYSA-N 1 0 242.294 0.092 20 30 BCEDRO C#CCOCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861616575 589170236 /nfs/dbraw/zinc/17/02/36/589170236.db2.gz FGNZIQHPARMHMO-MNOVXSKESA-N 1 0 239.319 0.076 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861616580 589170299 /nfs/dbraw/zinc/17/02/99/589170299.db2.gz FGNZIQHPARMHMO-WDEREUQCSA-N 1 0 239.319 0.076 20 30 BCEDRO C#CCCCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861609743 589170343 /nfs/dbraw/zinc/17/03/43/589170343.db2.gz PBXWMIZVCJQSHE-NSHDSACASA-N 1 0 239.319 0.078 20 30 BCEDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)NCCC#N)C2 ZINC000861628301 589170829 /nfs/dbraw/zinc/17/08/29/589170829.db2.gz NQBGGEFQMLILDM-TXEJJXNPSA-N 1 0 236.319 0.541 20 30 BCEDRO C[C@@H]1CC[C@H](NC(=O)NCCC#N)C[NH2+]1 ZINC000861628193 589171045 /nfs/dbraw/zinc/17/10/45/589171045.db2.gz KHPAHFKWNMBCEF-BDAKNGLRSA-N 1 0 210.281 0.340 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)NCc1ccc(C#N)cn1 ZINC000861633894 589171407 /nfs/dbraw/zinc/17/14/07/589171407.db2.gz WXJOWENTJXSIAE-SECBINFHSA-N 1 0 247.302 0.442 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)CCOCC[NH3+])C(C)C ZINC000861632520 589171423 /nfs/dbraw/zinc/17/14/23/589171423.db2.gz FYXQJLHGOCZFBH-LLVKDONJSA-N 1 0 241.335 0.261 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861636174 589171667 /nfs/dbraw/zinc/17/16/67/589171667.db2.gz GZGCANZZYMGQNT-DTWKUNHWSA-N 1 0 213.281 0.544 20 30 BCEDRO C=CC(C)(C)CCNC(=O)N(CC[NH3+])CCO ZINC000861656453 589173166 /nfs/dbraw/zinc/17/31/66/589173166.db2.gz MNBTWTBCWQDYPS-UHFFFAOYSA-N 1 0 243.351 0.551 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861660242 589173642 /nfs/dbraw/zinc/17/36/42/589173642.db2.gz IVNCVQLVZFOOGY-MNOVXSKESA-N 1 0 235.331 0.934 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861658915 589173672 /nfs/dbraw/zinc/17/36/72/589173672.db2.gz RKIAJBZGXPGPOE-VHSXEESVSA-N 1 0 221.304 0.592 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861673716 589174037 /nfs/dbraw/zinc/17/40/37/589174037.db2.gz DTBNEOAFQFWJSE-QWHCGFSZSA-N 1 0 247.342 0.795 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861689717 589174304 /nfs/dbraw/zinc/17/43/04/589174304.db2.gz HPFXJTNKURXPSO-ZJUUUORDSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861683856 589174519 /nfs/dbraw/zinc/17/45/19/589174519.db2.gz BVFPNRUVWFPBHL-MNOVXSKESA-N 1 0 239.319 0.076 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861686741 589174610 /nfs/dbraw/zinc/17/46/10/589174610.db2.gz SADZBLWPFZUJFZ-UWVGGRQHSA-N 1 0 209.293 0.449 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000861691567 589174754 /nfs/dbraw/zinc/17/47/54/589174754.db2.gz WTELXJVATYUIBV-MNOVXSKESA-N 1 0 235.331 0.934 20 30 BCEDRO C=CCNC(=S)NC1CC[NH+](C)CC1 ZINC000013775607 589177915 /nfs/dbraw/zinc/17/79/15/589177915.db2.gz QGJMXKMHUFPDLK-UHFFFAOYSA-N 1 0 213.350 0.731 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)Cn1cccn1 ZINC000862548234 589220050 /nfs/dbraw/zinc/22/00/50/589220050.db2.gz APQSUKGRAIEANG-RYUDHWBXSA-N 1 0 221.304 0.900 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)C1CCCC1 ZINC000863057859 589252946 /nfs/dbraw/zinc/25/29/46/589252946.db2.gz HUIAPCQKDBSVAR-UHFFFAOYSA-N 1 0 238.331 0.980 20 30 BCEDRO CCc1[nH]nc(Cl)c1C=NNC(N)=[NH2+] ZINC000863079464 589254628 /nfs/dbraw/zinc/25/46/28/589254628.db2.gz NSQSLVIZIKADOF-UHFFFAOYSA-N 1 0 214.660 0.442 20 30 BCEDRO COc1ccnc(C(C)=NNC2=[NH+]C[C@H](C)N2)c1 ZINC000863104840 589256408 /nfs/dbraw/zinc/25/64/08/589256408.db2.gz FVAWHDNKJFUVKA-QMMMGPOBSA-N 1 0 247.302 0.752 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]C[C@@H](C)N2)ccn1 ZINC000863105672 589256727 /nfs/dbraw/zinc/25/67/27/589256727.db2.gz XHQWIWKEOIJKHW-SECBINFHSA-N 1 0 217.276 0.661 20 30 BCEDRO C=CCNC(=S)NC[C@@H]1CCC[N@H+]1C ZINC000863240865 589274483 /nfs/dbraw/zinc/27/44/83/589274483.db2.gz PGMGDOKZKSQCBR-VIFPVBQESA-N 1 0 213.350 0.731 20 30 BCEDRO C#CCCN1CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000119367881 589275200 /nfs/dbraw/zinc/27/52/00/589275200.db2.gz NRUSLZLAUWOPHM-ZIAGYGMSSA-N 1 0 236.359 0.931 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CO[C@H](C2CC2)C1 ZINC000863285250 589276403 /nfs/dbraw/zinc/27/64/03/589276403.db2.gz POHGIMCROQMDNY-NEPJUHHUSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1CC=CC1 ZINC000863570133 589300585 /nfs/dbraw/zinc/30/05/85/589300585.db2.gz DEFFJJNOHHHHGR-UHFFFAOYSA-N 1 0 206.289 0.682 20 30 BCEDRO C#CCOc1ccc(C(=O)NCC[NH3+])cc1 ZINC000863583954 589301580 /nfs/dbraw/zinc/30/15/80/589301580.db2.gz MQNWDESSXUWOFS-UHFFFAOYSA-N 1 0 218.256 0.387 20 30 BCEDRO C#CCOc1ccc(C(=O)NCC[NH2+]C)cc1 ZINC000863585064 589301868 /nfs/dbraw/zinc/30/18/68/589301868.db2.gz PEVWVDFINLVHMM-UHFFFAOYSA-N 1 0 232.283 0.648 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)COC ZINC000863589407 589302510 /nfs/dbraw/zinc/30/25/10/589302510.db2.gz ODDSLLQERKYWBX-QWRGUYRKSA-N 1 0 215.293 0.012 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000863589077 589302551 /nfs/dbraw/zinc/30/25/51/589302551.db2.gz JKGUEHUNPISNKG-RYUDHWBXSA-N 1 0 238.331 0.915 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](O)C1CC1 ZINC000863589718 589302634 /nfs/dbraw/zinc/30/26/34/589302634.db2.gz VSLJYZNFEXNTNC-VXGBXAGGSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863589573 589302826 /nfs/dbraw/zinc/30/28/26/589302826.db2.gz RLGSZTBVRIUWDL-VXGBXAGGSA-N 1 0 236.315 0.669 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](O)C(F)(F)F ZINC000863588972 589302875 /nfs/dbraw/zinc/30/28/75/589302875.db2.gz IQVOPPPIKALIBO-BDAKNGLRSA-N 1 0 239.237 0.928 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)C(=C)C[NH+](C)C ZINC000863781150 589317316 /nfs/dbraw/zinc/31/73/16/589317316.db2.gz ITIQNAHISUSFIK-LBPRGKRZSA-N 1 0 238.331 0.649 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000863781261 589317474 /nfs/dbraw/zinc/31/74/74/589317474.db2.gz KCGPFNCUXVWAHA-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)C[NH+](CC)CC ZINC000863786660 589318214 /nfs/dbraw/zinc/31/82/14/589318214.db2.gz FPNMEPQARLKBRE-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C[N@@H+](CC)C1CC1 ZINC000863803601 589319885 /nfs/dbraw/zinc/31/98/85/589319885.db2.gz SPASZXMRNZUEQM-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C(=C)C[NH+](C)C ZINC000863805143 589320282 /nfs/dbraw/zinc/32/02/82/589320282.db2.gz VSFLCDHKERVQCM-LLVKDONJSA-N 1 0 224.304 0.259 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCN(C)CC(F)F ZINC000863807784 589320664 /nfs/dbraw/zinc/32/06/64/589320664.db2.gz HKEBAFLCEYTXIN-UHFFFAOYSA-N 1 0 249.305 0.417 20 30 BCEDRO C#CCN(CC)C(=O)C[N@H+](C)C1CCC1 ZINC000863893862 589324136 /nfs/dbraw/zinc/32/41/36/589324136.db2.gz AVXNGPFSSCJMAV-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000863926351 589326782 /nfs/dbraw/zinc/32/67/82/589326782.db2.gz WRCCFJWXLXIFOP-LLVKDONJSA-N 1 0 236.315 0.331 20 30 BCEDRO CNC(=[NH2+])NCCc1cccc(C(=O)NC)c1 ZINC000119931883 589348489 /nfs/dbraw/zinc/34/84/89/589348489.db2.gz FMZWTENXTHWIMR-UHFFFAOYSA-N 1 0 234.303 0.123 20 30 BCEDRO CCNC(NC[C@H](O)[C@H]1CCCO1)=[NH+]CC ZINC000864355157 589354918 /nfs/dbraw/zinc/35/49/18/589354918.db2.gz DFKIKAIMJXDVCB-VHSXEESVSA-N 1 0 229.324 0.101 20 30 BCEDRO CNC(NCC(C)(C)C(=O)N1CCCC1)=[NH+]C ZINC000864355360 589354997 /nfs/dbraw/zinc/35/49/97/589354997.db2.gz FLSRLCKGAUEBJC-UHFFFAOYSA-N 1 0 240.351 0.430 20 30 BCEDRO CCOC(=O)c1cc(CNC(NC)=[NH+]C)on1 ZINC000864358072 589355353 /nfs/dbraw/zinc/35/53/53/589355353.db2.gz HFBZARZPDSPJFI-UHFFFAOYSA-N 1 0 240.263 0.146 20 30 BCEDRO CNC(NC[C@H](C)CC1(C)OCCO1)=[NH+]C ZINC000864357966 589355593 /nfs/dbraw/zinc/35/55/93/589355593.db2.gz BSDAASIXXLHTDR-SECBINFHSA-N 1 0 229.324 0.570 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000864422399 589361597 /nfs/dbraw/zinc/36/15/97/589361597.db2.gz INGPGCFFNUSQLY-WDEREUQCSA-N 1 0 223.320 0.908 20 30 BCEDRO C=C[C@](C)(O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000864641869 589386009 /nfs/dbraw/zinc/38/60/09/589386009.db2.gz KZBLJKCZGZEDDD-KOLCDFICSA-N 1 0 222.292 0.424 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)/C=C\COC)CC1 ZINC000865194511 589413836 /nfs/dbraw/zinc/41/38/36/589413836.db2.gz XDFJCUKMJOWCEA-PLNGDYQASA-N 1 0 238.331 0.956 20 30 BCEDRO C#CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000865343636 589420997 /nfs/dbraw/zinc/42/09/97/589420997.db2.gz QLEGSCCMIWQIFA-TXEJJXNPSA-N 1 0 221.304 0.261 20 30 BCEDRO C#CCNC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000865343927 589422743 /nfs/dbraw/zinc/42/27/43/589422743.db2.gz VYLQHLWXXYQEKJ-SNVBAGLBSA-N 1 0 209.293 0.533 20 30 BCEDRO C#CCNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000865343498 589422856 /nfs/dbraw/zinc/42/28/56/589422856.db2.gz LAFPDQDEWDASRC-SNVBAGLBSA-N 1 0 209.293 0.259 20 30 BCEDRO C=CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000865344498 589423202 /nfs/dbraw/zinc/42/32/02/589423202.db2.gz LOTACAXLKCQKBG-ZJUUUORDSA-N 1 0 209.293 0.708 20 30 BCEDRO C[C@@H](O)[C@H](O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000865737755 589459485 /nfs/dbraw/zinc/45/94/85/589459485.db2.gz DUDWFEGNUUEVNY-QTAHKJALSA-N 1 0 226.320 0.790 20 30 BCEDRO Cc1cc(C[NH2+]C[C@@H](O)[C@H](C)O)ccc1C#N ZINC000865738291 589459757 /nfs/dbraw/zinc/45/97/57/589459757.db2.gz FDLFKZMSXWCXCR-GXFFZTMASA-N 1 0 234.299 0.698 20 30 BCEDRO C#CCOc1ccc(C[NH2+]C[C@H](O)[C@H](C)O)cc1 ZINC000865738017 589459808 /nfs/dbraw/zinc/45/98/08/589459808.db2.gz AQDMASKPKYGXSC-FZMZJTMJSA-N 1 0 249.310 0.530 20 30 BCEDRO Cc1cc(C[NH2+]C[C@H](O)[C@H](C)O)ccc1C#N ZINC000865738290 589459896 /nfs/dbraw/zinc/45/98/96/589459896.db2.gz FDLFKZMSXWCXCR-GWCFXTLKSA-N 1 0 234.299 0.698 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccncn1 ZINC000866004477 589472233 /nfs/dbraw/zinc/47/22/33/589472233.db2.gz YLBIUJSFKBUWJN-UHFFFAOYSA-N 1 0 247.302 0.553 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3ccc(C#N)nn3)CC[C@@H]21 ZINC000866205497 589480065 /nfs/dbraw/zinc/48/00/65/589480065.db2.gz MSRWRDOLOZKEHL-JQWIXIFHSA-N 1 0 243.314 0.879 20 30 BCEDRO C#Cc1cnc(N2CC[C@H]3[C@@H](CC[N@H+]3C)C2)nc1 ZINC000866210103 589480406 /nfs/dbraw/zinc/48/04/06/589480406.db2.gz XZERUCAEVICNGF-STQMWFEESA-N 1 0 242.326 0.988 20 30 BCEDRO C#Cc1cnc(N2CC[C@@H]3[C@@H](CC[N@H+]3C)C2)nc1 ZINC000866210102 589480453 /nfs/dbraw/zinc/48/04/53/589480453.db2.gz XZERUCAEVICNGF-QWHCGFSZSA-N 1 0 242.326 0.988 20 30 BCEDRO Cn1ncc(C#N)c1N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866208755 589480613 /nfs/dbraw/zinc/48/06/13/589480613.db2.gz ODINMFKUCAHXRL-PWSUYJOCSA-N 1 0 245.330 0.822 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@@H]3[NH2+]CC[C@H]32)C1=O ZINC000866726401 589516227 /nfs/dbraw/zinc/51/62/27/589516227.db2.gz ZOSWPRQJJRQGEM-XQQFMLRXSA-N 1 0 249.358 0.600 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866827786 589519491 /nfs/dbraw/zinc/51/94/91/589519491.db2.gz SMJXTUGMFRXCPJ-GHMZBOCLSA-N 1 0 244.360 0.719 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)/C=C\CN1CCOCC1 ZINC000867839480 589536492 /nfs/dbraw/zinc/53/64/92/589536492.db2.gz CGLDEVQUGVSLKZ-FJOGCWAESA-N 1 0 236.315 0.355 20 30 BCEDRO CC[NH2+][C@H](C)CNC(=O)c1coc(C#N)c1 ZINC000867971219 589541894 /nfs/dbraw/zinc/54/18/94/589541894.db2.gz GQPJWSUJVBDGFD-MRVPVSSYSA-N 1 0 221.260 0.879 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1coc(C#N)c1 ZINC000867968163 589542099 /nfs/dbraw/zinc/54/20/99/589542099.db2.gz ACLRHBHVWPLLAI-GZMMTYOYSA-N 1 0 233.271 0.879 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@](C)([NH3+])C1 ZINC000868077932 589548605 /nfs/dbraw/zinc/54/86/05/589548605.db2.gz GRJBYNZKVMFNIJ-NSHDSACASA-N 1 0 212.293 0.529 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)[C@]1(C#N)CCCOC1 ZINC000868338152 589555688 /nfs/dbraw/zinc/55/56/88/589555688.db2.gz MMJUQJHDXXFRNN-JQWIXIFHSA-N 1 0 239.319 0.373 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3coc(C#N)c3)[C@@H]2C1 ZINC000868519458 589562397 /nfs/dbraw/zinc/56/23/97/589562397.db2.gz BTGVTLSGNOMFBK-JOYOIKCWSA-N 1 0 245.282 0.927 20 30 BCEDRO C[NH+](C)CCONC(=O)c1ccccc1CC#N ZINC000868628482 589569028 /nfs/dbraw/zinc/56/90/28/589569028.db2.gz XKXYETJADPTXJK-UHFFFAOYSA-N 1 0 247.298 0.976 20 30 BCEDRO C[NH+](C)CCCOC(=O)[C@]1(C#N)CCCOC1 ZINC000869914559 589636281 /nfs/dbraw/zinc/63/62/81/589636281.db2.gz BZJHIAPWWIZCAG-LBPRGKRZSA-N 1 0 240.303 0.802 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCCC[C@H]1O ZINC000869923742 589637674 /nfs/dbraw/zinc/63/76/74/589637674.db2.gz OWJSGLLYIIYAFQ-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@H](O)C(F)F ZINC000870421945 589664022 /nfs/dbraw/zinc/66/40/22/589664022.db2.gz OGWRTCDFORCHRS-QMMMGPOBSA-N 1 0 236.262 0.237 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000870479223 589668029 /nfs/dbraw/zinc/66/80/29/589668029.db2.gz TXWUPFRKGNSRHD-GMTAPVOTSA-N 1 0 226.320 0.786 20 30 BCEDRO C=C[C@H](OC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)OC ZINC000870532536 589671847 /nfs/dbraw/zinc/67/18/47/589671847.db2.gz WTGUTMRBNMDZON-UWVGGRQHSA-N 1 0 243.303 0.843 20 30 BCEDRO C#CCO[C@@H](C)C(=O)O[C@H](CC)C[NH+](C)C ZINC000870547754 589672869 /nfs/dbraw/zinc/67/28/69/589672869.db2.gz JVXUHWJBXPNMGL-WDEREUQCSA-N 1 0 227.304 0.908 20 30 BCEDRO C#CCO[C@H](C)C(=O)O[C@@H](CC)C[NH+](C)C ZINC000870547752 589673174 /nfs/dbraw/zinc/67/31/74/589673174.db2.gz JVXUHWJBXPNMGL-MNOVXSKESA-N 1 0 227.304 0.908 20 30 BCEDRO CCC1([NH+](C)C)CCN(C(=O)C=NOC)CC1 ZINC000870573987 589677126 /nfs/dbraw/zinc/67/71/26/589677126.db2.gz UYTBSGLZPKRALF-UHFFFAOYSA-N 1 0 241.335 0.951 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000870701657 589685065 /nfs/dbraw/zinc/68/50/65/589685065.db2.gz RNMNWXCAIWXKKP-PHIMTYICSA-N 1 0 224.304 0.494 20 30 BCEDRO CC(C)([NH3+])CNC(=O)c1coc(C#N)c1 ZINC000870937866 589699008 /nfs/dbraw/zinc/69/90/08/589699008.db2.gz UHXPALUPUIQYSB-UHFFFAOYSA-N 1 0 207.233 0.618 20 30 BCEDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1coc(C#N)c1 ZINC000870940037 589699212 /nfs/dbraw/zinc/69/92/12/589699212.db2.gz GYUOOBGZAVTNMD-LDYMZIIASA-N 1 0 233.271 0.879 20 30 BCEDRO Cc1cnc(F)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000870941628 589699657 /nfs/dbraw/zinc/69/96/57/589699657.db2.gz XEZWTAAHHVVUJU-PSASIEDQSA-N 1 0 248.261 0.371 20 30 BCEDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1coc(C#N)c1 ZINC000870947698 589700665 /nfs/dbraw/zinc/70/06/65/589700665.db2.gz RWAFJQDYCHRTTK-RQJHMYQMSA-N 1 0 207.233 0.617 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870968553 589702545 /nfs/dbraw/zinc/70/25/45/589702545.db2.gz YDEWACYZGRAFRA-GARJFASQSA-N 1 0 226.320 0.821 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970346 589703377 /nfs/dbraw/zinc/70/33/77/589703377.db2.gz QEAVKZQWACWFLW-MGCOHNPYSA-N 1 0 212.293 0.433 20 30 BCEDRO CON=CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871157034 589740980 /nfs/dbraw/zinc/74/09/80/589740980.db2.gz SXWWKUYNVDAYEX-UHFFFAOYSA-N 1 0 227.308 0.561 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCOC(C)C ZINC000871236927 589748362 /nfs/dbraw/zinc/74/83/62/589748362.db2.gz AUJJBQOBENGYSD-UHFFFAOYSA-N 1 0 214.309 0.645 20 30 BCEDRO C#CCNC(=O)NC[C@H]1Cc2ccccc2C[NH2+]1 ZINC000871598150 589772589 /nfs/dbraw/zinc/77/25/89/589772589.db2.gz HUGMEJHUQSEOLQ-CYBMUJFWSA-N 1 0 243.310 0.633 20 30 BCEDRO C#CCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000871600922 589773631 /nfs/dbraw/zinc/77/36/31/589773631.db2.gz YZLVVGLUNGEYEE-MWLCHTKSSA-N 1 0 207.277 0.203 20 30 BCEDRO C#CCSCCNC(=[NH2+])N(C)CCOC ZINC000871605297 589774902 /nfs/dbraw/zinc/77/49/02/589774902.db2.gz MLUFSDHPSOBSPS-UHFFFAOYSA-N 1 0 229.349 0.455 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)CC1(O)CCOCC1 ZINC000871974652 589850633 /nfs/dbraw/zinc/85/06/33/589850633.db2.gz NQSDBNGSQQSYPN-LBPRGKRZSA-N 1 0 241.331 0.234 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000871974698 589850833 /nfs/dbraw/zinc/85/08/33/589850833.db2.gz OEGLDGRUROGOLN-QWHCGFSZSA-N 1 0 225.332 0.854 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000871974699 589851026 /nfs/dbraw/zinc/85/10/26/589851026.db2.gz OEGLDGRUROGOLN-STQMWFEESA-N 1 0 225.332 0.854 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)C1 ZINC000872140885 589881547 /nfs/dbraw/zinc/88/15/47/589881547.db2.gz BZHVVCJDWAHSBZ-IRCOFANPSA-N 1 0 224.304 0.808 20 30 BCEDRO CC(C)(O)C[C@H](O)C[NH2+]CCCCC#N ZINC000872200973 589890059 /nfs/dbraw/zinc/89/00/59/589890059.db2.gz PONMVRXWZPOECS-JTQLQIEISA-N 1 0 214.309 0.792 20 30 BCEDRO CC(C)(O)C[C@H](O)C[NH2+]CCCC#N ZINC000872206167 589892334 /nfs/dbraw/zinc/89/23/34/589892334.db2.gz PPYREJUZLZCOSA-VIFPVBQESA-N 1 0 200.282 0.402 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CC(C)(C)O ZINC000872209233 589893286 /nfs/dbraw/zinc/89/32/86/589893286.db2.gz NCCFGFGZOUPAMT-UTUOFQBUSA-N 1 0 243.347 0.832 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872214706 589894746 /nfs/dbraw/zinc/89/47/46/589894746.db2.gz BUGIFYUITPJKQP-MNOVXSKESA-N 1 0 231.336 0.283 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)C[C@@H](C)O ZINC000872240938 589899323 /nfs/dbraw/zinc/89/93/23/589899323.db2.gz KIIDJZXANXNTIK-GHMZBOCLSA-N 1 0 226.320 0.265 20 30 BCEDRO C#CCC[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000872264761 589902122 /nfs/dbraw/zinc/90/21/22/589902122.db2.gz AYCFUFHXWLGHCR-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000872266328 589903134 /nfs/dbraw/zinc/90/31/34/589903134.db2.gz UROXUVWKROXUJK-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000872318914 589911886 /nfs/dbraw/zinc/91/18/86/589911886.db2.gz SZPWCNOWRQKPTK-PHIMTYICSA-N 1 0 224.304 0.209 20 30 BCEDRO c1nncn1[NH+]=C1CCCN2CCSC[C@H]12 ZINC000872323833 589912181 /nfs/dbraw/zinc/91/21/81/589912181.db2.gz AQQXRCOFORQMQQ-SNVBAGLBSA-N 1 0 237.332 0.693 20 30 BCEDRO COCCc1ncc(C=NNC(N)=[NH2+])s1 ZINC000872341382 589914282 /nfs/dbraw/zinc/91/42/82/589914282.db2.gz QMJFEZCFZUCBJG-UHFFFAOYSA-N 1 0 227.293 0.149 20 30 BCEDRO NC(=[NH2+])NN=C1CCCc2ncccc21 ZINC000872341699 589915356 /nfs/dbraw/zinc/91/53/56/589915356.db2.gz XTXZRKXRBHMYGG-UHFFFAOYSA-N 1 0 203.249 0.605 20 30 BCEDRO C[C@@H]1C(N=Nc2nccn(C)c2=O)CC[N@@H+]1C ZINC000872355345 589916865 /nfs/dbraw/zinc/91/68/65/589916865.db2.gz TWVHLXBNCPGFDP-MRVPVSSYSA-N 1 0 235.291 0.272 20 30 BCEDRO C[C@H]1C(N=Nc2ccc(C(N)=O)nn2)CC[N@@H+]1C ZINC000872356230 589917376 /nfs/dbraw/zinc/91/73/76/589917376.db2.gz FYVUNFDIOBYCFT-ZETCQYMHSA-N 1 0 248.290 0.067 20 30 BCEDRO CN(C)c1ccc(C#N)cc1C=NOCC(N)=O ZINC000872362083 589919485 /nfs/dbraw/zinc/91/94/85/589919485.db2.gz DLBDXVVTNTWGJE-UHFFFAOYSA-N 1 0 246.270 0.460 20 30 BCEDRO NC(=O)CON=C1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872362062 589919500 /nfs/dbraw/zinc/91/95/00/589919500.db2.gz CECBFTIQWHWFNI-VIFPVBQESA-N 1 0 243.332 0.056 20 30 BCEDRO CCNc1ccccc1C=[NH+]NCC(N)=O ZINC000872365167 589920793 /nfs/dbraw/zinc/92/07/93/589920793.db2.gz FTPYJGXSNBULBY-UHFFFAOYSA-N 1 0 220.276 0.527 20 30 BCEDRO COc1nscc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000872364784 589920834 /nfs/dbraw/zinc/92/08/34/589920834.db2.gz UEGOPKRZYLSOEZ-LURJTMIESA-N 1 0 239.304 0.423 20 30 BCEDRO C[NH+](C)C1(C)CCC(=NNCC(N)=O)CC1 ZINC000872365535 589921092 /nfs/dbraw/zinc/92/10/92/589921092.db2.gz VZRRSDXNFASMTJ-UHFFFAOYSA-N 1 0 226.324 0.312 20 30 BCEDRO CC[C@@H](O)CN[NH+]=Cc1c(C)ccnc1N ZINC000872375315 589924962 /nfs/dbraw/zinc/92/49/62/589924962.db2.gz YZESQWHQVASLPO-SECBINFHSA-N 1 0 222.292 0.667 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1cn(C2CC2)cn1 ZINC000872385213 589929163 /nfs/dbraw/zinc/92/91/63/589929163.db2.gz BFEQEIDRAMVGRI-UHFFFAOYSA-N 1 0 218.264 0.101 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@]1(C)CCCS1 ZINC000124304287 589974001 /nfs/dbraw/zinc/97/40/01/589974001.db2.gz KBZDTUQLSPVNGO-SNVBAGLBSA-N 1 0 231.365 0.823 20 30 BCEDRO C=CCN(CC(=O)OCC)CC12CC(C1)C[NH2+]2 ZINC000873203159 589992954 /nfs/dbraw/zinc/99/29/54/589992954.db2.gz RJFFJQDJRCGTPY-UHFFFAOYSA-N 1 0 238.331 0.790 20 30 BCEDRO CCC[C@H](C#N)NC(=O)C[NH+]1CCCC1 ZINC000874262843 590100617 /nfs/dbraw/zinc/10/06/17/590100617.db2.gz MBNFUYSKRZQDCW-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[NH+]1CCCC1 ZINC000874357867 590105664 /nfs/dbraw/zinc/10/56/64/590105664.db2.gz GOIWXHIFSAKFBS-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO N#CCCCCNC(=O)C[NH+]1CCCC1 ZINC000874371239 590106401 /nfs/dbraw/zinc/10/64/01/590106401.db2.gz PMORHMNAQRJJNX-UHFFFAOYSA-N 1 0 209.293 0.892 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1nonc1C ZINC000874812780 590139538 /nfs/dbraw/zinc/13/95/38/590139538.db2.gz UUAXYXFSPOWIHS-UHFFFAOYSA-N 1 0 224.264 0.112 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874828433 590142048 /nfs/dbraw/zinc/14/20/48/590142048.db2.gz WMBCCMRGFZPYIX-GVXVVHGQSA-N 1 0 238.331 0.619 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@@H]1COCCN1CC ZINC000875371456 590163441 /nfs/dbraw/zinc/16/34/41/590163441.db2.gz GGLAURHNXJOFTK-ZDUSSCGKSA-N 1 0 248.326 0.192 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000875649701 590167614 /nfs/dbraw/zinc/16/76/14/590167614.db2.gz VJHPKNGTYICGDU-MNOVXSKESA-N 1 0 239.319 0.840 20 30 BCEDRO CN(C(=O)C#CC1CC1)C1CC[NH2+]CC1 ZINC000876510433 590205260 /nfs/dbraw/zinc/20/52/60/590205260.db2.gz VQTZETFEZKKPAQ-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO CC(C)(C)C#CC(=O)NCCN1CC[NH2+]CC1 ZINC000876511152 590205268 /nfs/dbraw/zinc/20/52/68/590205268.db2.gz YKKGMONCEACMAN-UHFFFAOYSA-N 1 0 237.347 0.057 20 30 BCEDRO [NH3+]C[C@H]1CCCCN1C(=O)C#CC1CC1 ZINC000876514346 590205953 /nfs/dbraw/zinc/20/59/53/590205953.db2.gz DEILYCJHNPXFLV-LLVKDONJSA-N 1 0 206.289 0.740 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CC[C@H](C[NH3+])C1 ZINC000876516982 590206353 /nfs/dbraw/zinc/20/63/53/590206353.db2.gz HWDJXYYVNCOKGV-SNVBAGLBSA-N 1 0 208.305 0.843 20 30 BCEDRO C[NH2+]C1CCN(C(=O)C#CC2CC2)CC1 ZINC000876528942 590209682 /nfs/dbraw/zinc/20/96/82/590209682.db2.gz BFQHQZQYPIJHRC-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO C[C@@](C[NH3+])(NC(=O)C#CC1CC1)C1CC1 ZINC000876531003 590210393 /nfs/dbraw/zinc/21/03/93/590210393.db2.gz XQYHVKXXONWGGH-LBPRGKRZSA-N 1 0 206.289 0.643 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000876538378 590211662 /nfs/dbraw/zinc/21/16/62/590211662.db2.gz HTDIZAXSWINORS-NEPJUHHUSA-N 1 0 218.300 0.753 20 30 BCEDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C#CC(C)(C)C)CCO1 ZINC000876544523 590213250 /nfs/dbraw/zinc/21/32/50/590213250.db2.gz VPQBBHFOYONCIZ-GHMZBOCLSA-N 1 0 238.331 0.611 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCOCC ZINC000876578594 590216607 /nfs/dbraw/zinc/21/66/07/590216607.db2.gz UARZBLHBAUIXLO-QMMMGPOBSA-N 1 0 220.700 0.609 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCOCC ZINC000876578593 590218269 /nfs/dbraw/zinc/21/82/69/590218269.db2.gz UARZBLHBAUIXLO-MRVPVSSYSA-N 1 0 220.700 0.609 20 30 BCEDRO CNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876599254 590220139 /nfs/dbraw/zinc/22/01/39/590220139.db2.gz YRIALACKKRORLS-LLVKDONJSA-N 1 0 215.256 0.491 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccnn1C ZINC000876597335 590220307 /nfs/dbraw/zinc/22/03/07/590220307.db2.gz RWKNBOINDMDTIR-SECBINFHSA-N 1 0 242.710 0.506 20 30 BCEDRO CNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876599255 590220467 /nfs/dbraw/zinc/22/04/67/590220467.db2.gz YRIALACKKRORLS-NSHDSACASA-N 1 0 215.256 0.491 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cn[nH]c1 ZINC000876600533 590220678 /nfs/dbraw/zinc/22/06/78/590220678.db2.gz GLJUMPCLDOAGDB-ZETCQYMHSA-N 1 0 214.656 0.818 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCOCC1 ZINC000876603889 590221519 /nfs/dbraw/zinc/22/15/19/590221519.db2.gz DIXFNWKUKJRWEY-VIFPVBQESA-N 1 0 232.711 0.705 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)OCC ZINC000876617556 590221699 /nfs/dbraw/zinc/22/16/99/590221699.db2.gz BRANOBHFBXJVCK-YUMQZZPRSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)COC ZINC000876622302 590222896 /nfs/dbraw/zinc/22/28/96/590222896.db2.gz DXIRSVVIRBHFGL-IONNQARKSA-N 1 0 234.727 0.855 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCCNC(=O)C1 ZINC000876640371 590225304 /nfs/dbraw/zinc/22/53/04/590225304.db2.gz SKHFNPIFNORQNF-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cc(C)n[nH]1 ZINC000876656365 590226816 /nfs/dbraw/zinc/22/68/16/590226816.db2.gz MGAHPUIBIXAPPL-SECBINFHSA-N 1 0 242.710 0.804 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](O)CC(C)C ZINC000876675131 590229126 /nfs/dbraw/zinc/22/91/26/590229126.db2.gz DLQCFOZSKQLHSS-VHSXEESVSA-N 1 0 248.754 0.980 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H](OC)C1CCOCC1 ZINC000876744907 590236708 /nfs/dbraw/zinc/23/67/08/590236708.db2.gz GVKCUCSRIBSHDZ-CQSZACIVSA-N 1 0 235.327 0.996 20 30 BCEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C#CC1CC1 ZINC000876786694 590240734 /nfs/dbraw/zinc/24/07/34/590240734.db2.gz AWTXBFLGPMWCLJ-KOLCDFICSA-N 1 0 206.289 0.596 20 30 BCEDRO CN(C)C(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876791982 590241924 /nfs/dbraw/zinc/24/19/24/590241924.db2.gz LANGXOMVLUFSKR-GFCCVEGCSA-N 1 0 229.283 0.833 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccnc1F ZINC000876801434 590243134 /nfs/dbraw/zinc/24/31/34/590243134.db2.gz CFEBNPWTXQMGFH-CBAPKCEASA-N 1 0 234.234 0.062 20 30 BCEDRO COC1(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCC1 ZINC000876802150 590243221 /nfs/dbraw/zinc/24/32/21/590243221.db2.gz MDTBBWCMISILAR-NXEZZACHSA-N 1 0 237.303 0.173 20 30 BCEDRO CCn1ncc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1C ZINC000876801468 590243341 /nfs/dbraw/zinc/24/33/41/590243341.db2.gz CXFWCBFHTWAVKA-ONGXEEELSA-N 1 0 247.302 0.053 20 30 BCEDRO CC(C)n1cnc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000876803935 590243674 /nfs/dbraw/zinc/24/36/74/590243674.db2.gz ZSBBGFXGPKSKSW-VHSXEESVSA-N 1 0 247.302 0.305 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Cl)no1 ZINC000876802784 590243699 /nfs/dbraw/zinc/24/36/99/590243699.db2.gz RWOHQAGBJRMOQR-RITPCOANSA-N 1 0 240.650 0.169 20 30 BCEDRO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876803031 590243752 /nfs/dbraw/zinc/24/37/52/590243752.db2.gz UFKWDCCQLBCEPS-ZDCRXTMVSA-N 1 0 235.331 0.896 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Cl)no1 ZINC000876802782 590243956 /nfs/dbraw/zinc/24/39/56/590243956.db2.gz RWOHQAGBJRMOQR-NTSWFWBYSA-N 1 0 240.650 0.169 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Cl)no1 ZINC000876802785 590244034 /nfs/dbraw/zinc/24/40/34/590244034.db2.gz RWOHQAGBJRMOQR-WDSKDSINSA-N 1 0 240.650 0.169 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@]1(C)CCOC1 ZINC000876806244 590244355 /nfs/dbraw/zinc/24/43/55/590244355.db2.gz LVGMHJWUPJBQGD-WPRPVWTQSA-N 1 0 232.711 0.752 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(F)cc1N ZINC000876803954 590244420 /nfs/dbraw/zinc/24/44/20/590244420.db2.gz ZWCDXFWTDCZTDZ-HQJQHLMTSA-N 1 0 248.261 0.249 20 30 BCEDRO O=C(C#CC1CC1)N[C@H]1CCC[NH2+]CC1 ZINC000876826282 590246337 /nfs/dbraw/zinc/24/63/37/590246337.db2.gz NCNWYJHHZVLKRH-NSHDSACASA-N 1 0 206.289 0.658 20 30 BCEDRO C[C@@H]1[NH2+]CCN(C(=O)C#CC2CC2)[C@H]1C ZINC000876831827 590247738 /nfs/dbraw/zinc/24/77/38/590247738.db2.gz KRZVSLDMJPEFMP-UWVGGRQHSA-N 1 0 206.289 0.609 20 30 BCEDRO C[C@@]1(C[NH3+])CCN(C(=O)C#CC2CC2)C1 ZINC000876840170 590248190 /nfs/dbraw/zinc/24/81/90/590248190.db2.gz LFDXNOUDQLCQES-LBPRGKRZSA-N 1 0 206.289 0.597 20 30 BCEDRO CC(C)(C)C#CC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876838741 590248355 /nfs/dbraw/zinc/24/83/55/590248355.db2.gz VMCLFQAZKZKJKA-PHIMTYICSA-N 1 0 220.316 0.714 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876857082 590249869 /nfs/dbraw/zinc/24/98/69/590249869.db2.gz ZVEYUJSZUWFCFS-UWVGGRQHSA-N 1 0 226.295 0.852 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000876866822 590251512 /nfs/dbraw/zinc/25/15/12/590251512.db2.gz YDMOUEUSMNCVFN-MRVPVSSYSA-N 1 0 243.257 0.794 20 30 BCEDRO C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C[NH3+] ZINC000876918246 590257386 /nfs/dbraw/zinc/25/73/86/590257386.db2.gz IYNTWSLHJKJXGY-PWSUYJOCSA-N 1 0 220.316 0.843 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC(C)(C)CC(N)=O ZINC000876941878 590259417 /nfs/dbraw/zinc/25/94/17/590259417.db2.gz MASNDNQXMCWZIN-ZETCQYMHSA-N 1 0 247.726 0.227 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCCN1 ZINC000876941273 590259462 /nfs/dbraw/zinc/25/94/62/590259462.db2.gz CWFSRGTVSFEPEO-MRVPVSSYSA-N 1 0 217.700 0.583 20 30 BCEDRO C#CCNC(=O)[C@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000876942688 590259524 /nfs/dbraw/zinc/25/95/24/590259524.db2.gz BPZRFRSALIHEFT-GFCCVEGCSA-N 1 0 247.254 0.518 20 30 BCEDRO C#CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876943290 590259631 /nfs/dbraw/zinc/25/96/31/590259631.db2.gz OTTKKCRINVFPTH-CYBMUJFWSA-N 1 0 239.278 0.494 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@H]2COCCO2)n1 ZINC000876951233 590260220 /nfs/dbraw/zinc/26/02/20/590260220.db2.gz HQECQTZVDPKNRI-LBPRGKRZSA-N 1 0 233.271 0.458 20 30 BCEDRO C=CCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876962203 590262129 /nfs/dbraw/zinc/26/21/29/590262129.db2.gz OBAXRAIPXYJLCG-IUCAKERBSA-N 1 0 200.257 0.626 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])CC(=C)Cl ZINC000876974403 590263613 /nfs/dbraw/zinc/26/36/13/590263613.db2.gz GKZSULLETPMQRX-VIFPVBQESA-N 1 0 232.711 0.775 20 30 BCEDRO O=C(C#CC1CC1)NCC12CC(C1)C[NH2+]2 ZINC000876977324 590264114 /nfs/dbraw/zinc/26/41/14/590264114.db2.gz VJGASHBJHLRWCT-UHFFFAOYSA-N 1 0 204.273 0.268 20 30 BCEDRO CCCCCCCNC(=O)C1(O)C[NH2+]C1 ZINC000876988898 590265633 /nfs/dbraw/zinc/26/56/33/590265633.db2.gz POMNHEGUBGBCFI-UHFFFAOYSA-N 1 0 214.309 0.407 20 30 BCEDRO C[NH2+]CCOCCNC(=O)C#CC(C)(C)C ZINC000877024307 590270411 /nfs/dbraw/zinc/27/04/11/590270411.db2.gz YWSAGFFJLCGKGB-UHFFFAOYSA-N 1 0 226.320 0.388 20 30 BCEDRO C[NH2+]CCOCCN(C)C(=O)C#CC(C)(C)C ZINC000877029350 590271584 /nfs/dbraw/zinc/27/15/84/590271584.db2.gz ABRWLYWTSYAZSU-UHFFFAOYSA-N 1 0 240.347 0.730 20 30 BCEDRO CC(C)(C)C#CC(=O)NC1(C[NH3+])CCOCC1 ZINC000877043399 590273853 /nfs/dbraw/zinc/27/38/53/590273853.db2.gz IEISHDCMBWXEGY-UHFFFAOYSA-N 1 0 238.331 0.660 20 30 BCEDRO C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C[NH2+]1 ZINC000877052943 590275288 /nfs/dbraw/zinc/27/52/88/590275288.db2.gz YTZBRCPUSQIPQY-ONGXEEELSA-N 1 0 206.289 0.657 20 30 BCEDRO COC(=O)N1CC([NH2+]C[C@@H](C)CCC#N)C1 ZINC000877097685 590280513 /nfs/dbraw/zinc/28/05/13/590280513.db2.gz FNYMECAOWAZISF-VIFPVBQESA-N 1 0 225.292 0.966 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877100927 590282796 /nfs/dbraw/zinc/28/27/96/590282796.db2.gz YMESPRMPYAVBIN-UWVGGRQHSA-N 1 0 214.309 0.773 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877145892 590292022 /nfs/dbraw/zinc/29/20/22/590292022.db2.gz RIYKSOAPFXDODI-GHMZBOCLSA-N 1 0 239.319 0.516 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1coc(C#N)c1 ZINC000877171500 590296243 /nfs/dbraw/zinc/29/62/43/590296243.db2.gz IEMBYFDGROEDHQ-APPZFPTMSA-N 1 0 219.244 0.713 20 30 BCEDRO C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000877197492 590299952 /nfs/dbraw/zinc/29/99/52/590299952.db2.gz SDPNMCSXCQOUBX-OPRDCNLKSA-N 1 0 209.293 0.874 20 30 BCEDRO CN(C(=O)[C@]1(F)CC[NH2+]C1)[C@@H]1CCC[C@@H]1C#N ZINC000877196779 590300043 /nfs/dbraw/zinc/30/00/43/590300043.db2.gz KBLOHIOJZMYKBF-FOGDFJRCSA-N 1 0 239.294 0.839 20 30 BCEDRO C[C@H]([NH3+])C(=O)N(C)CCc1cccc(C#N)c1 ZINC000877224410 590301368 /nfs/dbraw/zinc/30/13/68/590301368.db2.gz XECDCBVMWXQCJJ-JTQLQIEISA-N 1 0 231.299 0.906 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280688 590306324 /nfs/dbraw/zinc/30/63/24/590306324.db2.gz ITZHESJDKUEPDU-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](OC)C1CCOCC1 ZINC000877339195 590318235 /nfs/dbraw/zinc/31/82/35/590318235.db2.gz ULLWGLSIYGXICA-OLZOCXBDSA-N 1 0 243.347 0.955 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000877339196 590318376 /nfs/dbraw/zinc/31/83/76/590318376.db2.gz ULLWGLSIYGXICA-QWHCGFSZSA-N 1 0 243.347 0.955 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCNC(=O)CC1)C(C)C ZINC000877513757 590342673 /nfs/dbraw/zinc/34/26/73/590342673.db2.gz YXWUETLNNUEPOU-QWRGUYRKSA-N 1 0 208.305 0.903 20 30 BCEDRO C#CCCCCCC[N@H+]1C[C@H](CO)[C@H](O)C1 ZINC000877583769 590366252 /nfs/dbraw/zinc/36/62/52/590366252.db2.gz UHWAXBXPGUTPEJ-CHWSQXEVSA-N 1 0 225.332 0.855 20 30 BCEDRO C#CC[C@H](N[C@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC ZINC000877583781 590366705 /nfs/dbraw/zinc/36/67/05/590366705.db2.gz UITXTRCHBKTRPL-SRVKXCTJSA-N 1 0 238.331 0.624 20 30 BCEDRO CON(C)C(=O)[C@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000877659276 590386243 /nfs/dbraw/zinc/38/62/43/590386243.db2.gz NQAWQCGWKMRNEF-UWVGGRQHSA-N 1 0 227.308 0.924 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877661054 590386861 /nfs/dbraw/zinc/38/68/61/590386861.db2.gz WDZGQWXYUFFVFC-VXGBXAGGSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000877661816 590387660 /nfs/dbraw/zinc/38/76/60/590387660.db2.gz IBAFRCGHVVLNLS-UPJWGTAASA-N 1 0 241.331 0.666 20 30 BCEDRO C[C@@H](CCC#N)C[NH+]1CCC(CO)(CO)CC1 ZINC000877797998 590425109 /nfs/dbraw/zinc/42/51/09/590425109.db2.gz FQRSPKXFTMKUCE-LBPRGKRZSA-N 1 0 240.347 0.993 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000878094389 590491525 /nfs/dbraw/zinc/49/15/25/590491525.db2.gz UAIYKONIFHAFJL-SNVBAGLBSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000878112793 590497113 /nfs/dbraw/zinc/49/71/13/590497113.db2.gz OKYGKZPUEAAWHP-JQWIXIFHSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@H+](CC)CCCO ZINC000878150929 590507356 /nfs/dbraw/zinc/50/73/56/590507356.db2.gz KYZFDUYFPMCGLS-JTQLQIEISA-N 1 0 215.293 0.808 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H]1CCc2ncnn21 ZINC000878166766 590514065 /nfs/dbraw/zinc/51/40/65/590514065.db2.gz FIESHSGQTOXAOD-JTQLQIEISA-N 1 0 204.277 0.721 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000878174721 590516280 /nfs/dbraw/zinc/51/62/80/590516280.db2.gz SLPUQMFHKZVGIF-UWVGGRQHSA-N 1 0 209.293 0.660 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000878174723 590516435 /nfs/dbraw/zinc/51/64/35/590516435.db2.gz SLPUQMFHKZVGIF-ZJUUUORDSA-N 1 0 209.293 0.660 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000878250483 590529046 /nfs/dbraw/zinc/52/90/46/590529046.db2.gz ZZKSQSCYXXZHNE-QWRGUYRKSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@H](C)[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000878264039 590531540 /nfs/dbraw/zinc/53/15/40/590531540.db2.gz AGVSLWJZUYCTHO-QWRGUYRKSA-N 1 0 246.376 0.965 20 30 BCEDRO C[C@H]([NH2+]CCn1cnnn1)c1cccc(C#N)c1 ZINC000878361391 590553512 /nfs/dbraw/zinc/55/35/12/590553512.db2.gz QVKDAZBYKMCFOG-JTQLQIEISA-N 1 0 242.286 0.896 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCN(CC(=O)OC)CC1 ZINC000878458045 590570666 /nfs/dbraw/zinc/57/06/66/590570666.db2.gz JBYNJGBCIGTSMD-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000878464405 590571740 /nfs/dbraw/zinc/57/17/40/590571740.db2.gz XCCPLIVEMFKUDP-HBNTYKKESA-N 1 0 227.304 0.807 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)CC1(CO)CCCC1 ZINC000878500476 590580357 /nfs/dbraw/zinc/58/03/57/590580357.db2.gz GQDWIFBWMUPSGB-GFCCVEGCSA-N 1 0 225.332 0.855 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000878677628 590608039 /nfs/dbraw/zinc/60/80/39/590608039.db2.gz KDMUPCCKJSNXCM-HLTSFMKQSA-N 1 0 208.261 0.155 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCc1nnnn1C ZINC000878680738 590608869 /nfs/dbraw/zinc/60/88/69/590608869.db2.gz UBSMHRFWLURKPE-ZJUUUORDSA-N 1 0 237.307 0.076 20 30 BCEDRO C=CC[C@H](C)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878802570 590624829 /nfs/dbraw/zinc/62/48/29/590624829.db2.gz KCSKOPPOUSRNRV-LBPRGKRZSA-N 1 0 239.363 0.657 20 30 BCEDRO CCN1C[C@H](CN[C@@H](C)CC#N)OC1=O ZINC000878821239 590627635 /nfs/dbraw/zinc/62/76/35/590627635.db2.gz URPZBSQPLNOFEN-IUCAKERBSA-N 1 0 211.265 0.719 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000878820602 590627992 /nfs/dbraw/zinc/62/79/92/590627992.db2.gz NABQHCQWWBOLTO-USWWRNFRSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCOCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878866224 590634725 /nfs/dbraw/zinc/63/47/25/590634725.db2.gz RSBCAYGCXYPSCI-ZDUSSCGKSA-N 1 0 240.347 0.025 20 30 BCEDRO C#CCNC(=O)[C@H](C)N(C)Cc1ccns1 ZINC000878898606 590643904 /nfs/dbraw/zinc/64/39/04/590643904.db2.gz DKGKRRPDZRIZJO-VIFPVBQESA-N 1 0 237.328 0.713 20 30 BCEDRO C#CC[N@@H+](CCC(=O)OC)C1CSC1 ZINC000878913376 590648526 /nfs/dbraw/zinc/64/85/26/590648526.db2.gz LXMCLDRIYQQLEB-UHFFFAOYSA-N 1 0 213.302 0.600 20 30 BCEDRO C#CC[N@@H+](CC[C@@H]1CCOC1=O)C1CSC1 ZINC000878912985 590649111 /nfs/dbraw/zinc/64/91/11/590649111.db2.gz XCHLPLIOYLKDIY-SNVBAGLBSA-N 1 0 239.340 0.990 20 30 BCEDRO C#CC[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000878940543 590653113 /nfs/dbraw/zinc/65/31/13/590653113.db2.gz LQTQRTCKMRPLEX-NSHDSACASA-N 1 0 204.277 0.938 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000878946973 590658422 /nfs/dbraw/zinc/65/84/22/590658422.db2.gz HTMMKHHAHCTTBM-MRVPVSSYSA-N 1 0 206.249 0.464 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000878949395 590659045 /nfs/dbraw/zinc/65/90/45/590659045.db2.gz LXSLSQNQQCGOQW-WDEREUQCSA-N 1 0 246.376 0.917 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000878985476 590667810 /nfs/dbraw/zinc/66/78/10/590667810.db2.gz FQMQUXXBTYLSTN-RYUDHWBXSA-N 1 0 236.319 0.944 20 30 BCEDRO C#CCN1CCCC[C@@]1(COC)C(=O)OC ZINC000879028985 590681158 /nfs/dbraw/zinc/68/11/58/590681158.db2.gz OTKHGSGYAPPHEI-GFCCVEGCSA-N 1 0 225.288 0.664 20 30 BCEDRO C#CCCCCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000879060296 590689173 /nfs/dbraw/zinc/68/91/73/590689173.db2.gz BWPFUOCQGFADLJ-GFCCVEGCSA-N 1 0 238.331 0.756 20 30 BCEDRO C=C(Cl)C[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879156171 590704733 /nfs/dbraw/zinc/70/47/33/590704733.db2.gz OFOJSIXVCCNZJO-PHIMTYICSA-N 1 0 242.706 0.724 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(CCF)CC1 ZINC000879209979 590715135 /nfs/dbraw/zinc/71/51/35/590715135.db2.gz QRXZMQOEQIODBS-UHFFFAOYSA-N 1 0 226.295 0.807 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)c1cnc(C)s1 ZINC000879250277 590721148 /nfs/dbraw/zinc/72/11/48/590721148.db2.gz BOBHKBSZFQSYQV-MRVPVSSYSA-N 1 0 237.328 0.852 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879323986 590743792 /nfs/dbraw/zinc/74/37/92/590743792.db2.gz AEOOBVAVDIFFDD-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879323984 590744641 /nfs/dbraw/zinc/74/46/41/590744641.db2.gz AEOOBVAVDIFFDD-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](OC)CC[C@H]1C ZINC000879323987 590744953 /nfs/dbraw/zinc/74/49/53/590744953.db2.gz AEOOBVAVDIFFDD-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCC[N@H+]1CCCC[C@@H]1CNC(=O)NC ZINC000879334922 590749458 /nfs/dbraw/zinc/74/94/58/590749458.db2.gz HLJSITLMBZINFU-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO CC#CC[N@H+]1CCCC[C@@H]1CNC(=O)NC ZINC000879337880 590750841 /nfs/dbraw/zinc/75/08/41/590750841.db2.gz YQUVPNFCPUVLRT-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C[C@H](C(N)=O)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433491 590767671 /nfs/dbraw/zinc/76/76/71/590767671.db2.gz USIFIIAZESFCHH-SNVBAGLBSA-N 1 0 231.299 0.906 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533449 590795373 /nfs/dbraw/zinc/79/53/73/590795373.db2.gz FEXHUFDRXHFRFI-MXWKQRLJSA-N 1 0 234.299 0.335 20 30 BCEDRO CN1C(=O)[C@H]2C[N@@H+]([C@H]3CC[C@@H](C#N)C3)C[C@H]2C1=O ZINC000879535635 590796529 /nfs/dbraw/zinc/79/65/29/590796529.db2.gz QAHNLYSVNSWPJQ-YTWAJWBKSA-N 1 0 247.298 0.225 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879556671 590800450 /nfs/dbraw/zinc/80/04/50/590800450.db2.gz GDJMGEQWWQZCED-NXEZZACHSA-N 1 0 239.344 0.311 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879556613 590801517 /nfs/dbraw/zinc/80/15/17/590801517.db2.gz JQXWYIZIVLIKGP-WDEREUQCSA-N 1 0 240.372 0.974 20 30 BCEDRO C=C(C)[C@H](CO)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879577896 590814369 /nfs/dbraw/zinc/81/43/69/590814369.db2.gz NSDLAIYTTUWWFA-UPJWGTAASA-N 1 0 224.348 0.949 20 30 BCEDRO COCC#CCN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579283 590816276 /nfs/dbraw/zinc/81/62/76/590816276.db2.gz ZAQHLTQAQZOHEL-OLZOCXBDSA-N 1 0 222.332 0.662 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582670 590820085 /nfs/dbraw/zinc/82/00/85/590820085.db2.gz STEMFABECWADIC-QJPTWQEYSA-N 1 0 238.331 0.740 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)c1ccccc1O ZINC000879647661 590841848 /nfs/dbraw/zinc/84/18/48/590841848.db2.gz HLAPCAVLLSOVTP-SNVBAGLBSA-N 1 0 232.283 0.792 20 30 BCEDRO C#CCOCC[NH+]1CCC(C(=O)NOC)CC1 ZINC000879925846 590891085 /nfs/dbraw/zinc/89/10/85/590891085.db2.gz JDEMCLNTVMTUJV-UHFFFAOYSA-N 1 0 240.303 0.026 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879940471 590891764 /nfs/dbraw/zinc/89/17/64/590891764.db2.gz OFFZAGSQPYRIGZ-NWDGAFQWSA-N 1 0 241.356 0.766 20 30 BCEDRO C=CCOCC[NH+]1CCC(CO)(CO)CC1 ZINC000879970902 590901610 /nfs/dbraw/zinc/90/16/10/590901610.db2.gz GVMZQULRPWLRFQ-UHFFFAOYSA-N 1 0 229.320 0.256 20 30 BCEDRO C#CCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880071579 590917306 /nfs/dbraw/zinc/91/73/06/590917306.db2.gz JRHHLTZRABJAQW-QWHCGFSZSA-N 1 0 222.332 0.541 20 30 BCEDRO C=CCOCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880072768 590918222 /nfs/dbraw/zinc/91/82/22/590918222.db2.gz JLRSEXGRFVZSRV-QWHCGFSZSA-N 1 0 240.347 0.330 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000880132936 590933559 /nfs/dbraw/zinc/93/35/59/590933559.db2.gz REDXBDRTERXFHV-RYUDHWBXSA-N 1 0 237.347 0.457 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000880132935 590934808 /nfs/dbraw/zinc/93/48/08/590934808.db2.gz REDXBDRTERXFHV-NWDGAFQWSA-N 1 0 237.347 0.457 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880150736 590946406 /nfs/dbraw/zinc/94/64/06/590946406.db2.gz SEDUKPXUUSWIOH-NSHDSACASA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CF)C1 ZINC000880290734 590986461 /nfs/dbraw/zinc/98/64/61/590986461.db2.gz CACLYLKYVFETMQ-NXEZZACHSA-N 1 0 212.268 0.416 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880436500 591038958 /nfs/dbraw/zinc/03/89/58/591038958.db2.gz WRPOUXJMQVILEA-NWDGAFQWSA-N 1 0 227.304 0.372 20 30 BCEDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CCO[C@@H](C)C#N ZINC000880437683 591040135 /nfs/dbraw/zinc/04/01/35/591040135.db2.gz PPNOEHPZOMPYAJ-QJPTWQEYSA-N 1 0 242.319 0.651 20 30 BCEDRO C[C@@H]1CC[C@H](CO)[N@@H+]1CCOCCC#N ZINC000880444521 591045917 /nfs/dbraw/zinc/04/59/17/591045917.db2.gz VKQWAIBOHRUQFQ-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C#CCC1(O)CC[NH+](CCCC(=O)NC)CC1 ZINC000880483697 591056432 /nfs/dbraw/zinc/05/64/32/591056432.db2.gz JGYNOSDBFVZKNT-UHFFFAOYSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CCC1(O)CC[NH+](CC[C@@H](C)O)CC1 ZINC000880483444 591057129 /nfs/dbraw/zinc/05/71/29/591057129.db2.gz CVKMVTHUOWSIAD-LLVKDONJSA-N 1 0 211.305 0.608 20 30 BCEDRO C#CCC1(O)CC[NH+](CCc2cn[nH]c2)CC1 ZINC000880483620 591057213 /nfs/dbraw/zinc/05/72/13/591057213.db2.gz GYNVRTFXZMDBRW-UHFFFAOYSA-N 1 0 233.315 0.802 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880564388 591093892 /nfs/dbraw/zinc/09/38/92/591093892.db2.gz LNWWQVLSGPQSFC-CMPLNLGQSA-N 1 0 225.288 0.398 20 30 BCEDRO C[NH+](C)CCc1cn(Cc2ccc(C#N)o2)nn1 ZINC000881302554 591184375 /nfs/dbraw/zinc/18/43/75/591184375.db2.gz BARVSIUQBPSTIJ-UHFFFAOYSA-N 1 0 245.286 0.895 20 30 BCEDRO C[C@@H](C#N)OCCn1cc(C2CC[NH2+]CC2)nn1 ZINC000881323530 591190787 /nfs/dbraw/zinc/19/07/87/591190787.db2.gz KMKKPWOBCIQSSA-JTQLQIEISA-N 1 0 249.318 0.674 20 30 BCEDRO CC[C@](C)([NH3+])c1cn(CCO[C@@H](C)C#N)nn1 ZINC000881324500 591191466 /nfs/dbraw/zinc/19/14/66/591191466.db2.gz WAUFRAXOJBHLGT-ONGXEEELSA-N 1 0 237.307 0.791 20 30 BCEDRO C#CC1(F)CN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000881937837 591279896 /nfs/dbraw/zinc/27/98/96/591279896.db2.gz QUKDKHJZHMYJTA-UHFFFAOYSA-N 1 0 210.252 0.264 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882484937 591362596 /nfs/dbraw/zinc/36/25/96/591362596.db2.gz ODHRIVNSSWZPQY-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)COC)CC1 ZINC000882641603 591406217 /nfs/dbraw/zinc/40/62/17/591406217.db2.gz MTWOHZAJBTWARV-NSHDSACASA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000882893653 591466305 /nfs/dbraw/zinc/46/63/05/591466305.db2.gz ZBVPLFDFTKCLJK-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C[N@@H+](C)C(C)C ZINC000882892784 591466474 /nfs/dbraw/zinc/46/64/74/591466474.db2.gz FWGGOLDOJXUCII-NSHDSACASA-N 1 0 228.336 0.770 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000882893654 591466684 /nfs/dbraw/zinc/46/66/84/591466684.db2.gz ZBVPLFDFTKCLJK-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)[C@@H](CC)[NH+](C)C ZINC000882896671 591468866 /nfs/dbraw/zinc/46/88/66/591468866.db2.gz OEZTZVFSJYTQHB-WDEREUQCSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CC[C@H](CO)NCc1cnn(CC)n1 ZINC000883109909 591541579 /nfs/dbraw/zinc/54/15/79/591541579.db2.gz ISVVUVUPLOSJLM-SECBINFHSA-N 1 0 210.281 0.325 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000883125317 591544198 /nfs/dbraw/zinc/54/41/98/591544198.db2.gz FFZDHSLZNJZOIE-DBIOUOCHSA-N 1 0 225.288 0.158 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000883125390 591544381 /nfs/dbraw/zinc/54/43/81/591544381.db2.gz HTCJKZPVBVPAPU-SNVBAGLBSA-N 1 0 206.245 0.261 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000883125318 591544433 /nfs/dbraw/zinc/54/44/33/591544433.db2.gz FFZDHSLZNJZOIE-GWOFURMSSA-N 1 0 225.288 0.158 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccnn1CC1CC1 ZINC000883125514 591544546 /nfs/dbraw/zinc/54/45/46/591544546.db2.gz LDFMKVUUIHASCW-LBPRGKRZSA-N 1 0 233.315 0.767 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c(C2CC2)cnn1C ZINC000883125745 591544573 /nfs/dbraw/zinc/54/45/73/591544573.db2.gz SOIDUHSZTMBMPU-NSHDSACASA-N 1 0 233.315 0.771 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c(C)nnn1CC ZINC000883125367 591544975 /nfs/dbraw/zinc/54/49/75/591544975.db2.gz GQLSOISBDLNVAW-SNVBAGLBSA-N 1 0 222.292 0.080 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000883156667 591556413 /nfs/dbraw/zinc/55/64/13/591556413.db2.gz VRGAOPWJEGUWDC-WYUUTHIRSA-N 1 0 239.315 0.548 20 30 BCEDRO C#CCOCC[NH2+][C@@H](COC)[C@H]1CCCOC1 ZINC000883216891 591575501 /nfs/dbraw/zinc/57/55/01/591575501.db2.gz XPHFIAPRLYIOKC-STQMWFEESA-N 1 0 241.331 0.667 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2CCOC2)cc1 ZINC000131424717 591608604 /nfs/dbraw/zinc/60/86/04/591608604.db2.gz UZKIVXRBXGDJAG-QWHCGFSZSA-N 1 0 232.283 0.970 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000883390718 591636567 /nfs/dbraw/zinc/63/65/67/591636567.db2.gz RXQCMFXNVUXOIR-UTUOFQBUSA-N 1 0 212.337 0.853 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)CC(N)=O ZINC000883388732 591640548 /nfs/dbraw/zinc/64/05/48/591640548.db2.gz BFWCBUPKWTYTFE-DTWKUNHWSA-N 1 0 200.282 0.167 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)CS(C)(=O)=O ZINC000883390386 591641516 /nfs/dbraw/zinc/64/15/16/591641516.db2.gz LDTVHXMEHXJPGH-NXEZZACHSA-N 1 0 235.349 0.336 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000883390799 591642676 /nfs/dbraw/zinc/64/26/76/591642676.db2.gz UWRQEKZIGGCJRX-WDEREUQCSA-N 1 0 249.376 0.726 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCN(CCOC)C1 ZINC000883391730 591644078 /nfs/dbraw/zinc/64/40/78/591644078.db2.gz QVJLZWFTRZBCEE-QWHCGFSZSA-N 1 0 242.363 0.624 20 30 BCEDRO C[C@]1(C#N)CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883436645 591665679 /nfs/dbraw/zinc/66/56/79/591665679.db2.gz XZRDGJKETKHIMU-GARJFASQSA-N 1 0 211.284 0.922 20 30 BCEDRO N#CCCN1CCN(C[C@@H]2C[C@H](F)C[NH2+]2)CC1 ZINC000883439449 591668971 /nfs/dbraw/zinc/66/89/71/591668971.db2.gz RRUYOXWAAXXBPJ-RYUDHWBXSA-N 1 0 240.326 0.218 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@H](C)C#N ZINC000883601853 591699693 /nfs/dbraw/zinc/69/96/93/591699693.db2.gz HPFQNRGMTBGXFW-NXEZZACHSA-N 1 0 224.308 0.539 20 30 BCEDRO C#CCCCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000132310598 591700908 /nfs/dbraw/zinc/70/09/08/591700908.db2.gz JOALSWIBIZXOHF-NSHDSACASA-N 1 0 229.345 0.957 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000883698006 591721682 /nfs/dbraw/zinc/72/16/82/591721682.db2.gz VAVJSRVGVHMKAH-QWRGUYRKSA-N 1 0 243.351 0.563 20 30 BCEDRO C#CCOCCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000132641328 591727182 /nfs/dbraw/zinc/72/71/82/591727182.db2.gz BZRFBJONEYOYNO-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C[C@H](CCO)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000133057050 591761202 /nfs/dbraw/zinc/76/12/02/591761202.db2.gz LWQAJZGCEIVBDU-MFKMUULPSA-N 1 0 234.299 0.952 20 30 BCEDRO N#Cc1ccc(C(=O)NC2CCC([NH3+])CC2)[nH]1 ZINC000884020023 591801617 /nfs/dbraw/zinc/80/16/17/591801617.db2.gz LEGYHRJXAFOJLL-UHFFFAOYSA-N 1 0 232.287 0.886 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)c1ccc(C#N)[nH]1 ZINC000884022714 591803499 /nfs/dbraw/zinc/80/34/99/591803499.db2.gz OKACKAGHSBJSJH-ZETCQYMHSA-N 1 0 206.249 0.353 20 30 BCEDRO CCN(CC)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884045083 591824330 /nfs/dbraw/zinc/82/43/30/591824330.db2.gz HLDPABINHWLRFI-AKJDGMEZSA-N 1 0 235.331 0.994 20 30 BCEDRO CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884047825 591825543 /nfs/dbraw/zinc/82/55/43/591825543.db2.gz MLNHHGMUIZVRPH-SQLBVSGCSA-N 1 0 221.304 0.652 20 30 BCEDRO C=CCOCC(=O)OCCN1CCO[C@@H](C)C1 ZINC000800161914 591829651 /nfs/dbraw/zinc/82/96/51/591829651.db2.gz AIEHUGFLKJFAKA-NSHDSACASA-N 1 0 243.303 0.453 20 30 BCEDRO C#CC[C@H]1CCN(C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000889041709 591831707 /nfs/dbraw/zinc/83/17/07/591831707.db2.gz OSUCPFDEGKRESV-RYUDHWBXSA-N 1 0 237.347 0.991 20 30 BCEDRO CCCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884069865 591844116 /nfs/dbraw/zinc/84/41/16/591844116.db2.gz RFXNTFKCKQXDGS-AKJDGMEZSA-N 1 0 235.331 0.994 20 30 BCEDRO C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H]1C[C@@H]1C ZINC000884082848 591847182 /nfs/dbraw/zinc/84/71/82/591847182.db2.gz WWKHRSGYDZTFPH-AEJSXWLSSA-N 1 0 240.303 0.205 20 30 BCEDRO C[C@@H]1C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884091316 591848109 /nfs/dbraw/zinc/84/81/09/591848109.db2.gz TZYDCPFNSABUCK-FRIYCTFISA-N 1 0 233.315 0.650 20 30 BCEDRO C[C@@H]1C[C@H]1NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884091315 591848479 /nfs/dbraw/zinc/84/84/79/591848479.db2.gz TZYDCPFNSABUCK-FOOARHITSA-N 1 0 233.315 0.650 20 30 BCEDRO C=C[C@@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884142307 591861125 /nfs/dbraw/zinc/86/11/25/591861125.db2.gz WVJFWXMOQDWQHD-JJOYANBFSA-N 1 0 233.315 0.816 20 30 BCEDRO CON(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884175196 591866266 /nfs/dbraw/zinc/86/62/66/591866266.db2.gz LKCASLPXJJVDRT-INWMGODYSA-N 1 0 223.276 0.146 20 30 BCEDRO CCc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)no1 ZINC000884249680 591883320 /nfs/dbraw/zinc/88/33/20/591883320.db2.gz PNSJKNOBGGNRGB-OIBJUYFYSA-N 1 0 234.259 0.078 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)[nH]1 ZINC000884250495 591884258 /nfs/dbraw/zinc/88/42/58/591884258.db2.gz GDCHKQSNHLCNHR-ZDUSSCGKSA-N 1 0 244.298 0.712 20 30 BCEDRO C=CC(C)(C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000884250300 591884302 /nfs/dbraw/zinc/88/43/02/591884302.db2.gz BLFXMCVYPZINJL-ZJUUUORDSA-N 1 0 221.304 0.816 20 30 BCEDRO C=CC(C)(C)CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000884252647 591885217 /nfs/dbraw/zinc/88/52/17/591885217.db2.gz PHZBMMXFRMAYDX-SNVBAGLBSA-N 1 0 226.320 0.775 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)[nH]1 ZINC000884293491 591895447 /nfs/dbraw/zinc/89/54/47/591895447.db2.gz DNVVCEPOMRDZRS-ONGXEEELSA-N 1 0 244.298 0.710 20 30 BCEDRO CN(C(=O)c1ccc(C#N)[nH]1)C1CC([NH3+])C1 ZINC000884298428 591898468 /nfs/dbraw/zinc/89/84/68/591898468.db2.gz RGPYTRTWUXCPCP-UHFFFAOYSA-N 1 0 218.260 0.448 20 30 BCEDRO Cc1c(CNC(=[NH2+])NC(C)C)cnn1C ZINC000134216116 591903960 /nfs/dbraw/zinc/90/39/60/591903960.db2.gz UBFYBEVVUUSNNB-UHFFFAOYSA-N 1 0 209.297 0.541 20 30 BCEDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C#CC1CC1 ZINC000884363735 591916668 /nfs/dbraw/zinc/91/66/68/591916668.db2.gz HXHZUKCXWBETLY-ZJUUUORDSA-N 1 0 206.289 0.642 20 30 BCEDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)C1(C#N)CCC1 ZINC000884364249 591916812 /nfs/dbraw/zinc/91/68/12/591916812.db2.gz PDUWMMKBNWLWLS-BDAKNGLRSA-N 1 0 221.304 0.922 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000884368681 591918200 /nfs/dbraw/zinc/91/82/00/591918200.db2.gz FOAKYBKCSOHCHW-TUAOUCFPSA-N 1 0 238.331 0.821 20 30 BCEDRO N#Cc1ccc(C(=O)NCC23CC(C2)C[NH2+]3)[nH]1 ZINC000884416381 591928235 /nfs/dbraw/zinc/92/82/35/591928235.db2.gz ZWMZWTUAUNSFQR-UHFFFAOYSA-N 1 0 230.271 0.368 20 30 BCEDRO C[C@@]1(NC(=O)c2ccc(C#N)[nH]2)CC[NH2+]C1 ZINC000884422798 591929747 /nfs/dbraw/zinc/92/97/47/591929747.db2.gz FZCPACGCQBMSNW-LLVKDONJSA-N 1 0 218.260 0.368 20 30 BCEDRO N#Cc1ccc(C(=O)N2C[C@H]3CCC[C@]3([NH3+])C2)[nH]1 ZINC000884426381 591930828 /nfs/dbraw/zinc/93/08/28/591930828.db2.gz KQVUVUDYQSWGIM-RNCFNFMXSA-N 1 0 244.298 0.840 20 30 BCEDRO C=CC(C)(C)CC(=O)NCCOCC[NH2+]C ZINC000884435192 591933364 /nfs/dbraw/zinc/93/33/64/591933364.db2.gz NWMJRTJYGVZQOS-UHFFFAOYSA-N 1 0 228.336 0.941 20 30 BCEDRO CC(C)C[C@H]1COCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000884448269 591937139 /nfs/dbraw/zinc/93/71/39/591937139.db2.gz VXOSMYRYAFFOIF-UWVGGRQHSA-N 1 0 238.335 0.972 20 30 BCEDRO COCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000884461987 591942040 /nfs/dbraw/zinc/94/20/40/591942040.db2.gz SKLGNNPFHHITAX-OUAUKWLOSA-N 1 0 239.319 0.501 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CCS(=O)(=O)NCC ZINC000134931022 591961996 /nfs/dbraw/zinc/96/19/96/591961996.db2.gz BUOJWDKJAFKBCS-JTQLQIEISA-N 1 0 234.365 0.870 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](C)C1 ZINC000135085071 591986065 /nfs/dbraw/zinc/98/60/65/591986065.db2.gz MAZJUKZAFNBYCW-QWRGUYRKSA-N 1 0 208.305 0.714 20 30 BCEDRO Cc1cc(C#N)cc(NCC[N@H+](C)CCO)n1 ZINC000884825351 592023514 /nfs/dbraw/zinc/02/35/14/592023514.db2.gz RMOTUEXBURZQCV-UHFFFAOYSA-N 1 0 234.303 0.598 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCCC(=O)[C@H]1C ZINC000885052701 592040234 /nfs/dbraw/zinc/04/02/34/592040234.db2.gz YXISBFPNILEPMF-SNVBAGLBSA-N 1 0 224.304 0.684 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H](CO)C2CC2)CCC1 ZINC000886129550 592159634 /nfs/dbraw/zinc/15/96/34/592159634.db2.gz IFDPKFVFSPTCHK-NWDGAFQWSA-N 1 0 238.331 0.792 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccncc2N)C1 ZINC000886209607 592176810 /nfs/dbraw/zinc/17/68/10/592176810.db2.gz PWXGXVHPAHWRHK-CYBMUJFWSA-N 1 0 244.342 0.851 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886240687 592183029 /nfs/dbraw/zinc/18/30/29/592183029.db2.gz AORRLJKHPIKBCL-XYYAHUGASA-N 1 0 232.283 0.532 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](C[C@H]2C[C@]23CCOC3)C1 ZINC000886265597 592189618 /nfs/dbraw/zinc/18/96/18/592189618.db2.gz MENBQOVUVTXHQH-AGIUHOORSA-N 1 0 236.315 0.763 20 30 BCEDRO C#Cc1ccc(C[NH2+]CCN2CCNC2=O)cc1 ZINC000886323697 592208053 /nfs/dbraw/zinc/20/80/53/592208053.db2.gz FXCIEMJYPJPNTB-UHFFFAOYSA-N 1 0 243.310 0.783 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000886355781 592216551 /nfs/dbraw/zinc/21/65/51/592216551.db2.gz NOCLVQIVRQYTKL-NSHDSACASA-N 1 0 219.288 0.361 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000886358659 592216782 /nfs/dbraw/zinc/21/67/82/592216782.db2.gz ZDWJOBZOWKAZAS-GHMZBOCLSA-N 1 0 206.289 0.562 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)COCCOC)C1 ZINC000886365372 592217764 /nfs/dbraw/zinc/21/77/64/592217764.db2.gz HCAKAWXBNKJLOU-QWHCGFSZSA-N 1 0 241.331 0.356 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCC(=O)N(C)OC)C1 ZINC000886364448 592218432 /nfs/dbraw/zinc/21/84/32/592218432.db2.gz ZXNXRMWDPHMXQY-LLVKDONJSA-N 1 0 224.304 0.742 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000886364444 592218645 /nfs/dbraw/zinc/21/86/45/592218645.db2.gz ZWNAJCCKKXYJMZ-VHSXEESVSA-N 1 0 220.272 0.137 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000886365727 592219177 /nfs/dbraw/zinc/21/91/77/592219177.db2.gz OKSVXRSSJWUYBT-NWDGAFQWSA-N 1 0 209.289 0.672 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000886365729 592219751 /nfs/dbraw/zinc/21/97/51/592219751.db2.gz OKSVXRSSJWUYBT-VXGBXAGGSA-N 1 0 209.289 0.672 20 30 BCEDRO C#CCCCN1CC[N@@H+](CCCC#C)C[C@H]1CO ZINC000886370180 592220431 /nfs/dbraw/zinc/22/04/31/592220431.db2.gz YGYCRIVMVORGEB-HNNXBMFYSA-N 1 0 248.370 0.792 20 30 BCEDRO CC#CCN1CCN(CC#CC)[C@H](CO)C1 ZINC000886371272 592220446 /nfs/dbraw/zinc/22/04/46/592220446.db2.gz IETVBCJACVDGPA-ZDUSSCGKSA-N 1 0 220.316 0.012 20 30 BCEDRO C#CCC1([NH2+]Cc2cnn(C)n2)CCOCC1 ZINC000886378959 592221325 /nfs/dbraw/zinc/22/13/25/592221325.db2.gz HZYDFUGKVQLWOP-UHFFFAOYSA-N 1 0 234.303 0.477 20 30 BCEDRO C#CCC1([NH2+]Cc2cn(C)nn2)CCOCC1 ZINC000886381879 592222098 /nfs/dbraw/zinc/22/20/98/592222098.db2.gz WLRWAKCQVREPKB-UHFFFAOYSA-N 1 0 234.303 0.477 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886571673 592262776 /nfs/dbraw/zinc/26/27/76/592262776.db2.gz DKZXRKMGUDZXHJ-QCNOEVLYSA-N 1 0 239.315 0.807 20 30 BCEDRO C#CCC1(NC(=O)[C@@H](C)[NH+](C)C)CCC1 ZINC000886802512 592332186 /nfs/dbraw/zinc/33/21/86/592332186.db2.gz NWPIEXHDQNWXMS-SNVBAGLBSA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@@H](COC)[C@@H]1CCCOC1 ZINC000886913544 592396192 /nfs/dbraw/zinc/39/61/92/592396192.db2.gz DVCACMSWYOLDEQ-AGIUHOORSA-N 1 0 243.347 0.955 20 30 BCEDRO C#CCC1([NH2+]CC#CCOC)CCOCC1 ZINC000887123250 592446382 /nfs/dbraw/zinc/44/63/82/592446382.db2.gz GWQZMRCUDYENEK-UHFFFAOYSA-N 1 0 221.300 0.798 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCCF ZINC000887136452 592451250 /nfs/dbraw/zinc/45/12/50/592451250.db2.gz UNXDCEGGRYTYSS-SECBINFHSA-N 1 0 200.257 0.416 20 30 BCEDRO CNC(NC[C@@H](O)Cc1ccc(F)cc1)=[NH+]C ZINC000887324252 592481111 /nfs/dbraw/zinc/48/11/11/592481111.db2.gz WZOONUMTQWJGHQ-NSHDSACASA-N 1 0 239.294 0.524 20 30 BCEDRO C=C(C)COCCNC(=[NH2+])NCC(F)F ZINC000887356593 592488601 /nfs/dbraw/zinc/48/86/01/592488601.db2.gz JDOPQRXJPDKLAD-UHFFFAOYSA-N 1 0 221.251 0.958 20 30 BCEDRO N#Cc1ccc(CNC(=[NH2+])NCC(F)F)nc1 ZINC000887358206 592489260 /nfs/dbraw/zinc/48/92/60/592489260.db2.gz VVWNHLYQEUCMFP-UHFFFAOYSA-N 1 0 239.229 0.832 20 30 BCEDRO N#CC1(CNC(=[NH2+])NCC(F)F)CC1 ZINC000887359199 592489813 /nfs/dbraw/zinc/48/98/13/592489813.db2.gz JNUQCIFVCDJXBS-UHFFFAOYSA-N 1 0 202.208 0.669 20 30 BCEDRO C=CCn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887413179 592503278 /nfs/dbraw/zinc/50/32/78/592503278.db2.gz GCJFXXZSJGZXRJ-SNVBAGLBSA-N 1 0 221.308 0.387 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCCO[C@H](CC)C1 ZINC000300810666 592521494 /nfs/dbraw/zinc/52/14/94/592521494.db2.gz CASAFSIGPDNNOH-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](CC)C1 ZINC000300810667 592521518 /nfs/dbraw/zinc/52/15/18/592521518.db2.gz CASAFSIGPDNNOH-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO CC[C@@H](C(=O)N1CCO[C@](C)(C#N)C1)[NH+](C)C ZINC000887678688 592540340 /nfs/dbraw/zinc/54/03/40/592540340.db2.gz HRMKRAFNRXHMJF-CMPLNLGQSA-N 1 0 239.319 0.468 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@@](C)(C#N)C2)C1 ZINC000887677228 592540374 /nfs/dbraw/zinc/54/03/74/592540374.db2.gz SPQAPURWTRYCAB-JQWIXIFHSA-N 1 0 237.303 0.079 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887924655 592560014 /nfs/dbraw/zinc/56/00/14/592560014.db2.gz UMMMCQRCJMMZMB-WXHSDQCUSA-N 1 0 238.331 0.334 20 30 BCEDRO CN(C)C(NCc1ccccc1)=[NH+]CCO ZINC000104152423 592601613 /nfs/dbraw/zinc/60/16/13/592601613.db2.gz KWRCSHCOIZRHOH-UHFFFAOYSA-N 1 0 221.304 0.686 20 30 BCEDRO CCCCNC(=[NH2+])NCCS(=O)(=O)CC ZINC000104193610 592604636 /nfs/dbraw/zinc/60/46/36/592604636.db2.gz KRMNEFYNOJNUNH-UHFFFAOYSA-N 1 0 235.353 0.126 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889824634 592655457 /nfs/dbraw/zinc/65/54/57/592655457.db2.gz JYGFDSUYQZUURL-LBPRGKRZSA-N 1 0 238.331 0.666 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890068778 592677365 /nfs/dbraw/zinc/67/73/65/592677365.db2.gz FTOAHJHEUOABIE-ZDUSSCGKSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@H]([NH3+])CCOC ZINC000122411761 592712219 /nfs/dbraw/zinc/71/22/19/592712219.db2.gz HNORJEGUJNDVBP-DTWKUNHWSA-N 1 0 200.282 0.431 20 30 BCEDRO C=CCN(C(=O)[C@H]([NH3+])CCOC)C1CC1 ZINC000131272727 592737160 /nfs/dbraw/zinc/73/71/60/592737160.db2.gz QRSRZRCQSZBPDI-SNVBAGLBSA-N 1 0 212.293 0.527 20 30 BCEDRO C=CCn1cc(CN[C@H]2CCC[NH2+][C@@H]2C)nn1 ZINC000925704380 634382639 /nfs/dbraw/zinc/38/26/39/634382639.db2.gz GLZSVSHALVEHFI-PWSUYJOCSA-N 1 0 235.335 0.694 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC001027320411 634475483 /nfs/dbraw/zinc/47/54/83/634475483.db2.gz ZYRNHXWHMGASQJ-RYUDHWBXSA-N 1 0 238.331 0.577 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H]2[C@@H](CNC(C)=O)[C@@H]2C1 ZINC000977689602 634558052 /nfs/dbraw/zinc/55/80/52/634558052.db2.gz HYPLSTMITVMDSX-CNDDSTCGSA-N 1 0 208.305 0.876 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC000977797197 634564450 /nfs/dbraw/zinc/56/44/50/634564450.db2.gz XUBLMHFNJYVHPH-FVCCEPFGSA-N 1 0 248.326 0.093 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cn[nH]c3)[C@@H]2C1 ZINC000977862995 634566741 /nfs/dbraw/zinc/56/67/41/634566741.db2.gz OJQHAHWOOGWDKT-CNDDSTCGSA-N 1 0 246.314 0.503 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001027621216 634595794 /nfs/dbraw/zinc/59/57/94/634595794.db2.gz ADKWZZYSIMFJNX-SNVBAGLBSA-N 1 0 248.286 0.239 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(F)F)C1 ZINC001009857240 634605402 /nfs/dbraw/zinc/60/54/02/634605402.db2.gz MHMBBLAADUZWDC-VIFPVBQESA-N 1 0 230.258 0.855 20 30 BCEDRO COC(=O)N1CCC[C@H]([NH2+]CCC#N)C1 ZINC000259929461 635274212 /nfs/dbraw/zinc/27/42/12/635274212.db2.gz DGASLCHIEVRETJ-VIFPVBQESA-N 1 0 211.265 0.720 20 30 BCEDRO C#CCN1CCCN(C(=O)[C@@H](F)CC)CC1 ZINC000981763441 635393668 /nfs/dbraw/zinc/39/36/68/635393668.db2.gz BNOWYXWLCMATBG-NSHDSACASA-N 1 0 226.295 0.902 20 30 BCEDRO C=CCCNS(=O)(=O)CC1CC[NH2+]CC1 ZINC000122833561 635506030 /nfs/dbraw/zinc/50/60/30/635506030.db2.gz OHAAEKGGKKEEGE-UHFFFAOYSA-N 1 0 232.349 0.482 20 30 BCEDRO CN(C)C(=[NH2+])NCC[S@](=O)C(C)(C)C ZINC000178575915 635525862 /nfs/dbraw/zinc/52/58/62/635525862.db2.gz GVBLYUJOZGLEPD-AWEZNQCLSA-N 1 0 219.354 0.410 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001010410388 635592648 /nfs/dbraw/zinc/59/26/48/635592648.db2.gz VORQPKKZJQPLIJ-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO CNC(NCC1CCSCC1)=[NH+]C ZINC000073840226 631217016 /nfs/dbraw/zinc/21/70/16/631217016.db2.gz CHUKDPQHIDVBHR-UHFFFAOYSA-N 1 0 201.339 0.924 20 30 BCEDRO CC[N@H+](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510337 631286210 /nfs/dbraw/zinc/28/62/10/631286210.db2.gz CYHCHUUMCXHEGO-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001022054749 631304511 /nfs/dbraw/zinc/30/45/11/631304511.db2.gz BPVKNPJMCANEEF-DTORHVGOSA-N 1 0 220.276 0.446 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC000971570420 631322825 /nfs/dbraw/zinc/32/28/25/631322825.db2.gz COYQRTRZTQDSAM-SCRDCRAPSA-N 1 0 248.326 0.189 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nn(C)cc2C)C1 ZINC001022064345 631324803 /nfs/dbraw/zinc/32/48/03/631324803.db2.gz DGAKPHSYEAWEGJ-PHIMTYICSA-N 1 0 246.314 0.212 20 30 BCEDRO CC[N@H+](CC(=O)NCCC#N)CC(C)(C)O ZINC000078747380 631347672 /nfs/dbraw/zinc/34/76/72/631347672.db2.gz UVIVSRHFMZVALA-UHFFFAOYSA-N 1 0 227.308 0.109 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc(O)cc2O)N1 ZINC000779791467 631524710 /nfs/dbraw/zinc/52/47/10/631524710.db2.gz CYBNPQIVBXRJTJ-SSDOTTSWSA-N 1 0 234.259 0.369 20 30 BCEDRO CC[N@H+](CCOCCC#N)CCC(=O)NC ZINC000933861967 631533806 /nfs/dbraw/zinc/53/38/06/631533806.db2.gz GNAHKDNHOQFYPC-UHFFFAOYSA-N 1 0 227.308 0.375 20 30 BCEDRO N#CCCOCC[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933899654 631547200 /nfs/dbraw/zinc/54/72/00/631547200.db2.gz FGLREPXXNMQOJI-NSHDSACASA-N 1 0 240.303 0.754 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)C2CCC2)C1 ZINC001028367502 635658546 /nfs/dbraw/zinc/65/85/46/635658546.db2.gz OKRHQVOIVDUHFG-LLVKDONJSA-N 1 0 220.316 0.858 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001028386167 635665696 /nfs/dbraw/zinc/66/56/96/635665696.db2.gz LBYNLNFARQVKOO-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001028386166 635666266 /nfs/dbraw/zinc/66/62/66/635666266.db2.gz LBYNLNFARQVKOO-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001028420631 635668653 /nfs/dbraw/zinc/66/86/53/635668653.db2.gz JOQHXQVVXDPWAK-JTQLQIEISA-N 1 0 234.303 0.647 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001028422464 635668694 /nfs/dbraw/zinc/66/86/94/635668694.db2.gz AMBLFCDQKVCEIQ-LLVKDONJSA-N 1 0 246.314 0.485 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001028420632 635668884 /nfs/dbraw/zinc/66/88/84/635668884.db2.gz JOQHXQVVXDPWAK-SNVBAGLBSA-N 1 0 234.303 0.647 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001028419117 635669194 /nfs/dbraw/zinc/66/91/94/635669194.db2.gz SFVBWRIMEOPSBK-NSHDSACASA-N 1 0 246.314 0.485 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001028422193 635669451 /nfs/dbraw/zinc/66/94/51/635669451.db2.gz ATARGVBMBIYGQL-NSHDSACASA-N 1 0 246.314 0.403 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](CNC(=O)c2ccon2)C1 ZINC001028426104 635671142 /nfs/dbraw/zinc/67/11/42/635671142.db2.gz ZJAPEUHJJAOCAK-NSHDSACASA-N 1 0 247.298 0.750 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cscn2)C1 ZINC001028440383 635673486 /nfs/dbraw/zinc/67/34/86/635673486.db2.gz RBIGVRQQWWWJHA-JTQLQIEISA-N 1 0 249.339 0.828 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1CC(SC)C1 ZINC000924873092 635680872 /nfs/dbraw/zinc/68/08/72/635680872.db2.gz JTYGGOOJVHGBBZ-UHFFFAOYSA-N 1 0 226.345 0.610 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnco2)C1 ZINC001022513575 631653885 /nfs/dbraw/zinc/65/38/85/631653885.db2.gz ORCJZJMOACAIEC-DTORHVGOSA-N 1 0 219.244 0.158 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1CCOC1)[C@H]1CCCO1 ZINC000308824675 631672035 /nfs/dbraw/zinc/67/20/35/631672035.db2.gz HRNYCLRODWBCKQ-GRYCIOLGSA-N 1 0 209.289 0.793 20 30 BCEDRO CC(C)(C[NH2+]CCC#N)N1CCOCC1 ZINC000308822183 631673591 /nfs/dbraw/zinc/67/35/91/631673591.db2.gz CJRXLERTOHFABM-UHFFFAOYSA-N 1 0 211.309 0.600 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@H]1CO ZINC000308827572 631673615 /nfs/dbraw/zinc/67/36/15/631673615.db2.gz RWOKDPXWCLKKBQ-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)CC(N)=O)[C@H]1CCCO1 ZINC000308835911 631676291 /nfs/dbraw/zinc/67/62/91/631676291.db2.gz IEKHGWHRCFYNPO-KXUCPTDWSA-N 1 0 210.277 0.021 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000308900808 631723393 /nfs/dbraw/zinc/72/33/93/631723393.db2.gz BGNWSAJKENWBIC-MRVPVSSYSA-N 1 0 206.245 0.913 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001022600389 631725791 /nfs/dbraw/zinc/72/57/91/631725791.db2.gz NFWWKNOBJVIPKK-UMNHJUIQSA-N 1 0 242.294 0.538 20 30 BCEDRO C[C@@H](Cc1cccnc1)[NH2+]CC(=O)NCCC#N ZINC000934239046 631740689 /nfs/dbraw/zinc/74/06/89/631740689.db2.gz IWZHVAJYZLFWGL-NSHDSACASA-N 1 0 246.314 0.632 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000972052951 631747372 /nfs/dbraw/zinc/74/73/72/631747372.db2.gz OAZVLAPMENYXRD-NSHDSACASA-N 1 0 246.314 0.498 20 30 BCEDRO C#CCN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934254297 631749359 /nfs/dbraw/zinc/74/93/59/631749359.db2.gz JBWDSBGWYAPYCQ-RYUDHWBXSA-N 1 0 208.305 0.151 20 30 BCEDRO N#CCN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934256209 631749393 /nfs/dbraw/zinc/74/93/93/631749393.db2.gz PYJXAVGKYDYHHQ-QWRGUYRKSA-N 1 0 209.293 0.041 20 30 BCEDRO C=CC(C)(C)C(=O)N1CC[C@H]([N@H+](C)CCO)C1 ZINC000972081101 631757900 /nfs/dbraw/zinc/75/79/00/631757900.db2.gz YRNFAYJLQRTOJG-NSHDSACASA-N 1 0 240.347 0.724 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ocnc2CC)C1 ZINC001022684049 631759521 /nfs/dbraw/zinc/75/95/21/631759521.db2.gz ZAUDKEMXYCVECC-AOOOYVTPSA-N 1 0 247.298 0.721 20 30 BCEDRO C#CC[NH2+][C@]1(CC(=O)OC)CCCOC1 ZINC000308967856 631774790 /nfs/dbraw/zinc/77/47/90/631774790.db2.gz XBQQLOGKRYWFKA-NSHDSACASA-N 1 0 211.261 0.322 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001022732687 631844114 /nfs/dbraw/zinc/84/41/14/631844114.db2.gz QZTPAVLNHCTPNL-TXEJJXNPSA-N 1 0 248.330 0.614 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+]1CCN1CCOCC1 ZINC000934458930 631847337 /nfs/dbraw/zinc/84/73/37/631847337.db2.gz GERSZQAFQPMFMX-GFCCVEGCSA-N 1 0 210.321 0.969 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](O)C1(O)CCC1 ZINC000934459058 631848957 /nfs/dbraw/zinc/84/89/57/631848957.db2.gz ABKWCKQDXOQGCN-GHMZBOCLSA-N 1 0 211.305 0.913 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](O)CC(=O)OCC ZINC000934461417 631856396 /nfs/dbraw/zinc/85/63/96/631856396.db2.gz XSQLUSPEBRSUGH-GHMZBOCLSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](O)C[C@@]1(O)CCOC1 ZINC000934461961 631858820 /nfs/dbraw/zinc/85/88/20/631858820.db2.gz PIHUWUVRLRXSHB-UPJWGTAASA-N 1 0 241.331 0.539 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NCC(=O)OC ZINC000934465210 631862037 /nfs/dbraw/zinc/86/20/37/631862037.db2.gz LAHAKEAPVHUCKW-VHSXEESVSA-N 1 0 240.303 0.315 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000934471584 631864604 /nfs/dbraw/zinc/86/46/04/631864604.db2.gz UYVNLSDARNSMKJ-RYUDHWBXSA-N 1 0 221.304 0.894 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCC(=O)NC(N)=O ZINC000934472066 631866926 /nfs/dbraw/zinc/86/69/26/631866926.db2.gz YKPCROPOMYWWIT-QMMMGPOBSA-N 1 0 211.265 0.222 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC(=O)NC ZINC000934473490 631867476 /nfs/dbraw/zinc/86/74/76/631867476.db2.gz WMDKOBNABNUFPZ-RKDXNWHRSA-N 1 0 225.292 0.481 20 30 BCEDRO CC(C)[C@H](CCO)[NH2+]CCO[C@H](C)C#N ZINC000308828880 631877369 /nfs/dbraw/zinc/87/73/69/631877369.db2.gz SLKZOKKIHJXFEF-MNOVXSKESA-N 1 0 214.309 0.912 20 30 BCEDRO C#CCN1CCN(c2cc[nH+]cc2)CC1 ZINC000161346621 631930670 /nfs/dbraw/zinc/93/06/70/631930670.db2.gz YWJWZWZYBITBIP-UHFFFAOYSA-N 1 0 201.273 0.837 20 30 BCEDRO C=C(Cl)CNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000158716977 631954802 /nfs/dbraw/zinc/95/48/02/631954802.db2.gz DICLYLJKBQYVJF-QMMMGPOBSA-N 1 0 234.752 0.950 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ncccn2)C1 ZINC001022873421 632016810 /nfs/dbraw/zinc/01/68/10/632016810.db2.gz DXLOYCHWXGJZFR-PHIMTYICSA-N 1 0 246.314 0.903 20 30 BCEDRO CNC(NCc1nnc(C(C)(C)C)[nH]1)=[NH+]C ZINC000849040815 632033419 /nfs/dbraw/zinc/03/34/19/632033419.db2.gz UAWVFXMACUJCNN-UHFFFAOYSA-N 1 0 224.312 0.397 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001022890883 632034984 /nfs/dbraw/zinc/03/49/84/632034984.db2.gz LBXJMRLAXRTWAF-NTZNESFSSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cncnc2)C1 ZINC001028492928 635695421 /nfs/dbraw/zinc/69/54/21/635695421.db2.gz DVRIQCFODURERI-NSHDSACASA-N 1 0 246.314 0.714 20 30 BCEDRO COc1ccc(C[NH2+][C@@H](C)CC(N)=O)cc1C#N ZINC000161583984 632095654 /nfs/dbraw/zinc/09/56/54/632095654.db2.gz VOBMUUJZOAMREW-VIFPVBQESA-N 1 0 247.298 0.920 20 30 BCEDRO C[NH+]1CCC(CNC(=O)NCCC#N)CC1 ZINC000426418612 635711661 /nfs/dbraw/zinc/71/16/61/635711661.db2.gz HMXSHIXDYSBFSO-UHFFFAOYSA-N 1 0 224.308 0.541 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001028532647 635723448 /nfs/dbraw/zinc/72/34/48/635723448.db2.gz SATNZGINOKXUFL-JTQLQIEISA-N 1 0 234.303 0.647 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC001028556177 635724525 /nfs/dbraw/zinc/72/45/25/635724525.db2.gz REGWQLISTBFMNW-NSHDSACASA-N 1 0 231.299 0.700 20 30 BCEDRO C=CC(C)(C)CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924904843 635759740 /nfs/dbraw/zinc/75/97/40/635759740.db2.gz DFXNGMJVJGTJSB-VIFPVBQESA-N 1 0 239.319 0.681 20 30 BCEDRO C=C(C)CCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924907103 635761331 /nfs/dbraw/zinc/76/13/31/635761331.db2.gz NDKMGRPNVYZSTI-SECBINFHSA-N 1 0 225.292 0.435 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028654116 635772501 /nfs/dbraw/zinc/77/25/01/635772501.db2.gz XMHAMCFGRCNHLU-JTQLQIEISA-N 1 0 249.318 0.433 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cnco2)C1 ZINC001028716882 635806490 /nfs/dbraw/zinc/80/64/90/635806490.db2.gz JEHJRKMXLZLZLY-SNVBAGLBSA-N 1 0 233.271 0.360 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001028742980 635812891 /nfs/dbraw/zinc/81/28/91/635812891.db2.gz KGSHLYBKJVRKDM-TUAOUCFPSA-N 1 0 220.316 0.714 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000972513111 632394117 /nfs/dbraw/zinc/39/41/17/632394117.db2.gz IKXFPZMUUTWNMT-LLVKDONJSA-N 1 0 246.314 0.498 20 30 BCEDRO N#CCCNC(=O)C[N@H+]1CCCCC[C@@H]1CO ZINC000157010436 632410142 /nfs/dbraw/zinc/41/01/42/632410142.db2.gz YVBVMQFGBPBMMB-LLVKDONJSA-N 1 0 239.319 0.253 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)C2CC2)C1 ZINC001023184040 632410607 /nfs/dbraw/zinc/41/06/07/632410607.db2.gz BDDUGDPOIOGUEN-LLVKDONJSA-N 1 0 220.316 0.858 20 30 BCEDRO CCCCNC(=[NH2+])NCC(C)(C)C(=O)NCC ZINC000157408028 632430964 /nfs/dbraw/zinc/43/09/64/632430964.db2.gz GHNDTKCBAXOFRI-UHFFFAOYSA-N 1 0 242.367 0.853 20 30 BCEDRO C#C[C@@H]([NH2+]CCn1ccnc1)[C@@H]1CCCO1 ZINC000309533048 632474468 /nfs/dbraw/zinc/47/44/68/632474468.db2.gz DMAPIIHQQNXYLG-NEPJUHHUSA-N 1 0 219.288 0.654 20 30 BCEDRO COC(=O)N1CCC[C@@H]([NH2+]CCC#N)C1 ZINC000259929458 632527256 /nfs/dbraw/zinc/52/72/56/632527256.db2.gz DGASLCHIEVRETJ-SECBINFHSA-N 1 0 211.265 0.720 20 30 BCEDRO C#C[C@@H]([NH2+]CCn1cccn1)[C@H]1CCCO1 ZINC000309582303 632549523 /nfs/dbraw/zinc/54/95/23/632549523.db2.gz SYYGIXUJARRLLR-VXGBXAGGSA-N 1 0 219.288 0.654 20 30 BCEDRO C#C[C@H](CC)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000229532097 632573857 /nfs/dbraw/zinc/57/38/57/632573857.db2.gz JEDBBFIKVOEYBP-ZJUUUORDSA-N 1 0 215.318 0.565 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C/C1CC1 ZINC000309623156 632587179 /nfs/dbraw/zinc/58/71/79/632587179.db2.gz IFFSVDMGHSFXOV-OKWQPMOJSA-N 1 0 205.261 0.180 20 30 BCEDRO CC1(C)CC[C@H]1[NH2+]CC(=O)NCCC#N ZINC000309046868 632623173 /nfs/dbraw/zinc/62/31/73/632623173.db2.gz NSPLPJNOEBJZMJ-SECBINFHSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C1CC(OCC)C1 ZINC000309676838 632641531 /nfs/dbraw/zinc/64/15/31/632641531.db2.gz YAUKXOBRROAYHQ-UHFFFAOYSA-N 1 0 247.360 0.744 20 30 BCEDRO CC(C)[NH2+]C1CCN(C[C@H](O)CC#N)CC1 ZINC000309702005 632654408 /nfs/dbraw/zinc/65/44/08/632654408.db2.gz UAAJOTYDGURVHV-GFCCVEGCSA-N 1 0 225.336 0.723 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)c2ccon2)CC1 ZINC000892448498 632722989 /nfs/dbraw/zinc/72/29/89/632722989.db2.gz SOKYJLMXETXVRI-UHFFFAOYSA-N 1 0 247.298 0.983 20 30 BCEDRO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001024715885 632839141 /nfs/dbraw/zinc/83/91/41/632839141.db2.gz LLJSLGUTXDXTFV-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN1CCC(C#N)CC1 ZINC000310388480 635826803 /nfs/dbraw/zinc/82/68/03/635826803.db2.gz KNJUKQUNKFWDKC-ZDUSSCGKSA-N 1 0 239.363 0.923 20 30 BCEDRO CC[C@](C)(O)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000066245963 632860690 /nfs/dbraw/zinc/86/06/90/632860690.db2.gz LQUMTVXDZRKNSP-KOLCDFICSA-N 1 0 229.324 0.231 20 30 BCEDRO CC[C@@](C)(O)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000066245964 632860958 /nfs/dbraw/zinc/86/09/58/632860958.db2.gz LQUMTVXDZRKNSP-MWLCHTKSSA-N 1 0 229.324 0.231 20 30 BCEDRO CCCC[N@H+](C)CCNC(=O)NCC#CCO ZINC000923781798 632875900 /nfs/dbraw/zinc/87/59/00/632875900.db2.gz YYTXCOCZYFTIKS-UHFFFAOYSA-N 1 0 241.335 0.013 20 30 BCEDRO CC(=[NH+]NCC(N)=O)c1ccc(N)cc1C ZINC000309278144 632876974 /nfs/dbraw/zinc/87/69/74/632876974.db2.gz MRBZWRSGMXNOAT-UHFFFAOYSA-N 1 0 220.276 0.376 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC001028881599 635844647 /nfs/dbraw/zinc/84/46/47/635844647.db2.gz YSJBXNKTVVSMOZ-SECBINFHSA-N 1 0 236.275 0.307 20 30 BCEDRO CC[N@H+](CCNC(=O)NCC#CCO)C(C)C ZINC000923782893 632886252 /nfs/dbraw/zinc/88/62/52/632886252.db2.gz XXGIRDNKUXXZEF-UHFFFAOYSA-N 1 0 241.335 0.012 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892576452 632987053 /nfs/dbraw/zinc/98/70/53/632987053.db2.gz QORUIQVTTPDCKF-ZKCHVHJHSA-N 1 0 217.700 0.775 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)[C@H]1CCCO1 ZINC000309387327 633004277 /nfs/dbraw/zinc/00/42/77/633004277.db2.gz FESKATNAJPXLRY-YVECIDJPSA-N 1 0 222.332 0.707 20 30 BCEDRO C#CCNC(=O)C[N@H+](C)CC1CCOCC1 ZINC000161628471 633009315 /nfs/dbraw/zinc/00/93/15/633009315.db2.gz NTDFSXQLAXAFBC-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]([C@@H](C)NC(C)=O)C1 ZINC001025302051 633096970 /nfs/dbraw/zinc/09/69/70/633096970.db2.gz RFZCMUSQYOPYAX-ZYHUDNBSSA-N 1 0 208.305 0.856 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCCC(=O)N(C)C ZINC000170910190 633177012 /nfs/dbraw/zinc/17/70/12/633177012.db2.gz SSCMUSIGUPDDQF-UHFFFAOYSA-N 1 0 242.367 0.805 20 30 BCEDRO C[C@H](CC#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928430311 635913604 /nfs/dbraw/zinc/91/36/04/635913604.db2.gz VWGRTUBDKGVXON-BBBLOLIVSA-N 1 0 209.293 0.745 20 30 BCEDRO C[NH+]=C(NCC(=O)NC(C)C)NC(C)(C)C ZINC000171607519 633202231 /nfs/dbraw/zinc/20/22/31/633202231.db2.gz ORVPXDXJRGXOIA-UHFFFAOYSA-N 1 0 228.340 0.475 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)c2cnccc2C#N)CC[N@@H+]1C ZINC000928433432 635928114 /nfs/dbraw/zinc/92/81/14/635928114.db2.gz DVOJVPHWAPMQEF-BXKDBHETSA-N 1 0 244.298 0.776 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1c[nH]cn1 ZINC000328036596 633226871 /nfs/dbraw/zinc/22/68/71/633226871.db2.gz WJJBBFKHLVGVGO-UHFFFAOYSA-N 1 0 206.293 0.454 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000304260469 635939450 /nfs/dbraw/zinc/93/94/50/635939450.db2.gz ATAJNWZHJWMKOC-NXEZZACHSA-N 1 0 222.292 0.999 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](C)O ZINC000305731936 635954968 /nfs/dbraw/zinc/95/49/68/635954968.db2.gz NFCIULOJBPAVKF-MRVPVSSYSA-N 1 0 211.265 0.325 20 30 BCEDRO CON(C)C(=O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000895042765 636019307 /nfs/dbraw/zinc/01/93/07/636019307.db2.gz LQNNILKMMVMRPG-VHSXEESVSA-N 1 0 225.292 0.678 20 30 BCEDRO C[C@H]1[C@H](NC(=O)CSCC#N)CC[N@@H+]1C ZINC000928459715 635998717 /nfs/dbraw/zinc/99/87/17/635998717.db2.gz XRDLVJUXQOJUPE-DTWKUNHWSA-N 1 0 227.333 0.452 20 30 BCEDRO CC/[NH+]=C(/N(C)C)N1CCC[C@@H](CC(N)=O)C1 ZINC000428745364 636026569 /nfs/dbraw/zinc/02/65/69/636026569.db2.gz BQOXRCZNLVRBEY-JMVABTLVSA-N 1 0 240.351 0.511 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000909423462 636029631 /nfs/dbraw/zinc/02/96/31/636029631.db2.gz UQYXPCBHVMMABC-PWSUYJOCSA-N 1 0 240.347 0.724 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000895102652 636057615 /nfs/dbraw/zinc/05/76/15/636057615.db2.gz DKHQARZGWYQNLP-GRYCIOLGSA-N 1 0 239.315 0.692 20 30 BCEDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)CO1 ZINC000895158018 636099669 /nfs/dbraw/zinc/09/96/69/636099669.db2.gz GYUXGIATXUQKMG-RKDXNWHRSA-N 1 0 228.292 0.524 20 30 BCEDRO O=c1ccc(C[NH2+][C@H]2CCCN(O)C2=O)c[nH]1 ZINC000895157743 636099791 /nfs/dbraw/zinc/09/97/91/636099791.db2.gz FIOLTGPYIGEDKO-VIFPVBQESA-N 1 0 237.259 0.257 20 30 BCEDRO O=C1[C@H]([NH2+][C@H]2CCSC2)CCCN1O ZINC000895163590 636108558 /nfs/dbraw/zinc/10/85/58/636108558.db2.gz WDEJAPBRIXWORI-JGVFFNPUSA-N 1 0 216.306 0.462 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000328178345 633735004 /nfs/dbraw/zinc/73/50/04/633735004.db2.gz MMKQIHCJOLZUSU-LBPRGKRZSA-N 1 0 237.347 0.200 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1OCC ZINC001025689069 633744253 /nfs/dbraw/zinc/74/42/53/633744253.db2.gz LONPRKXBLOEZRY-BNDIWNMDSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1snnc1C ZINC000328319276 633756161 /nfs/dbraw/zinc/75/61/61/633756161.db2.gz YSBNBKPTIZAWOZ-UHFFFAOYSA-N 1 0 238.360 0.891 20 30 BCEDRO C#CCSCC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000308662856 633785499 /nfs/dbraw/zinc/78/54/99/633785499.db2.gz QXIRWSVJBJGESN-WDEREUQCSA-N 1 0 212.362 0.893 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2OCC)C1 ZINC001019999469 633805429 /nfs/dbraw/zinc/80/54/29/633805429.db2.gz PRGBDVPORVTKEP-BJDJZHNGSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccnc(F)c2)C1 ZINC001020017291 633806533 /nfs/dbraw/zinc/80/65/33/633806533.db2.gz UOAZMUINCCZQCS-XYPYZODXSA-N 1 0 247.273 0.704 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000308861304 633824790 /nfs/dbraw/zinc/82/47/90/633824790.db2.gz RMVFHHGMUGYOTH-SCZZXKLOSA-N 1 0 212.293 0.038 20 30 BCEDRO C#CCCC[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893091571 633827979 /nfs/dbraw/zinc/82/79/79/633827979.db2.gz DPBHBXYVUJDGMQ-QWRGUYRKSA-N 1 0 229.345 0.813 20 30 BCEDRO C#CCCC[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893091569 633829033 /nfs/dbraw/zinc/82/90/33/633829033.db2.gz DPBHBXYVUJDGMQ-GHMZBOCLSA-N 1 0 229.345 0.813 20 30 BCEDRO C=CCC[N@@H+]1CCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001007759085 633834587 /nfs/dbraw/zinc/83/45/87/633834587.db2.gz JHWLZOCOWDWAQD-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO CCCCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000309845516 633834770 /nfs/dbraw/zinc/83/47/70/633834770.db2.gz SUHPDSQJUFDPBB-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO C#CCC[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000308968575 633837377 /nfs/dbraw/zinc/83/73/77/633837377.db2.gz XOOVLTHFXUVFKR-LLVKDONJSA-N 1 0 211.261 0.322 20 30 BCEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C[C@H](O)CC#N ZINC000930481816 633844872 /nfs/dbraw/zinc/84/48/72/633844872.db2.gz WVWCXVDHFYVGSP-JHJVBQTASA-N 1 0 237.347 0.820 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@@H]1C ZINC001026123086 633852285 /nfs/dbraw/zinc/85/22/85/633852285.db2.gz BXQSHNRGEVVLRW-KVSVUVNWSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC)C[C@@H]12 ZINC001026160114 633860472 /nfs/dbraw/zinc/86/04/72/633860472.db2.gz VZSYEQKFUIBJEN-IJLUTSLNSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[C@H](CO)Nc1nc(N)cc(C)[nH+]1 ZINC000893163464 633861430 /nfs/dbraw/zinc/86/14/30/633861430.db2.gz UUIGYTWISZJDSQ-MRVPVSSYSA-N 1 0 208.265 0.716 20 30 BCEDRO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)COC)C[C@@H]12 ZINC001026159727 633864414 /nfs/dbraw/zinc/86/44/14/633864414.db2.gz OPMGERFPHLRKRY-IJLUTSLNSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC3)C[C@@H]12 ZINC001026163844 633866578 /nfs/dbraw/zinc/86/65/78/633866578.db2.gz SCBIVACZDIKVIX-JHJVBQTASA-N 1 0 232.327 0.856 20 30 BCEDRO C#CCN(CC)C(=O)COC1CC[NH+](C)CC1 ZINC000930580560 633909532 /nfs/dbraw/zinc/90/95/32/633909532.db2.gz VLWOYIBSXGVIJC-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO CN(C(=[NH2+])NCCCn1ccnn1)C1CC1 ZINC000181492102 633919532 /nfs/dbraw/zinc/91/95/32/633919532.db2.gz XYRWZNASLVUQFU-UHFFFAOYSA-N 1 0 222.296 0.077 20 30 BCEDRO [NH2+]=C(NCC1(CO)CCC1)N1CCCCC1 ZINC000181502545 633919635 /nfs/dbraw/zinc/91/96/35/633919635.db2.gz XOXVGIYMFSYVRC-UHFFFAOYSA-N 1 0 225.336 0.950 20 30 BCEDRO CC[C@@](C)(CC(=O)OC)[NH2+]CC#CCOC ZINC000309907622 633926079 /nfs/dbraw/zinc/92/60/79/633926079.db2.gz LCQODFQRXYJPJB-LBPRGKRZSA-N 1 0 227.304 0.958 20 30 BCEDRO C#CCNC(=O)C[NH2+]C1(CO)CCCCC1 ZINC000309546307 633948940 /nfs/dbraw/zinc/94/89/40/633948940.db2.gz DMSZLWVMIFNKNY-UHFFFAOYSA-N 1 0 224.304 0.021 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000930629791 633955401 /nfs/dbraw/zinc/95/54/01/633955401.db2.gz GMMKQRSWLNSHDR-KKOKHZNYSA-N 1 0 236.315 0.808 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](COCC)C1 ZINC000081519718 633965553 /nfs/dbraw/zinc/96/55/53/633965553.db2.gz DPMCTYVKYUJGMU-NSHDSACASA-N 1 0 224.304 0.094 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H](C)C1CCOCC1 ZINC000895489513 636150290 /nfs/dbraw/zinc/15/02/90/636150290.db2.gz DSSVYWODPVGXBY-CMPLNLGQSA-N 1 0 211.305 0.775 20 30 BCEDRO C=C(C)[C@H](CO)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931043569 634194989 /nfs/dbraw/zinc/19/49/89/634194989.db2.gz QPCJTIZNBBIUAJ-WOPDTQHZSA-N 1 0 212.337 0.948 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001026732321 634308669 /nfs/dbraw/zinc/30/86/69/634308669.db2.gz ICSBUQTZHDHTHB-ZYHUDNBSSA-N 1 0 235.331 0.994 20 30 BCEDRO CC(C)(CC#N)CN[C@H]1C[NH2+]CCOC1 ZINC000925693178 634326595 /nfs/dbraw/zinc/32/65/95/634326595.db2.gz LVRIADFLGPPXEF-JTQLQIEISA-N 1 0 211.309 0.504 20 30 BCEDRO NC(=NOCC1OCCO1)c1ccccc1 ZINC000194622088 634328350 /nfs/dbraw/zinc/32/83/50/634328350.db2.gz UFLPYQMRQQXUOD-UHFFFAOYSA-N 1 0 222.244 0.696 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCCCCO)C1 ZINC000195303338 634356999 /nfs/dbraw/zinc/35/69/99/634356999.db2.gz YBLWSVUGWVJDPF-SNVBAGLBSA-N 1 0 213.325 0.806 20 30 BCEDRO CC(=O)NC[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000931338534 634363473 /nfs/dbraw/zinc/36/34/73/634363473.db2.gz RUHISDNUFMXJPS-VXGBXAGGSA-N 1 0 239.319 0.252 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cccnc1 ZINC001027709322 635122239 /nfs/dbraw/zinc/12/22/39/635122239.db2.gz PQXITSFAQWIAIQ-ZDUSSCGKSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001027764415 635139207 /nfs/dbraw/zinc/13/92/07/635139207.db2.gz YHZQGUUIFZVCQV-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccon1 ZINC001027772819 635144418 /nfs/dbraw/zinc/14/44/18/635144418.db2.gz GWYXUZVMTVWJEW-LLVKDONJSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1cocn1 ZINC001027790913 635153735 /nfs/dbraw/zinc/15/37/35/635153735.db2.gz WNNHCQDKFXNSNH-NSHDSACASA-N 1 0 247.298 0.892 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn(C)c1 ZINC001027818658 635159731 /nfs/dbraw/zinc/15/97/31/635159731.db2.gz DACBYAHVSNKSMU-ZDUSSCGKSA-N 1 0 245.326 0.853 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000893566962 635167134 /nfs/dbraw/zinc/16/71/34/635167134.db2.gz IAUPYHDNNXDGNR-WRWGMCAJSA-N 1 0 229.320 0.705 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000893566959 635167318 /nfs/dbraw/zinc/16/73/18/635167318.db2.gz IAUPYHDNNXDGNR-IRCOFANPSA-N 1 0 229.320 0.705 20 30 BCEDRO COc1ccc(F)c(C=NNC2=[NH+]CCN2)c1 ZINC000841660612 635173094 /nfs/dbraw/zinc/17/30/94/635173094.db2.gz SGPYKUVVEWEPDQ-UHFFFAOYSA-N 1 0 236.250 0.717 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010064709 635180078 /nfs/dbraw/zinc/18/00/78/635180078.db2.gz ZSZMYCBDNXXFCW-MNOVXSKESA-N 1 0 224.304 0.542 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)c2ccon2)CC1 ZINC000980779036 635272334 /nfs/dbraw/zinc/27/23/34/635272334.db2.gz JVKWNLDCYLEQHC-UHFFFAOYSA-N 1 0 247.298 0.846 20 30 BCEDRO C=CC[N@@H+]1CCCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000980884465 635291459 /nfs/dbraw/zinc/29/14/59/635291459.db2.gz DUKXRWDNPQMKTK-UHFFFAOYSA-N 1 0 248.330 0.673 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000931752082 635309354 /nfs/dbraw/zinc/30/93/54/635309354.db2.gz IPOYUZHUWRUMMO-UTUOFQBUSA-N 1 0 224.304 0.762 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC001028062619 635341856 /nfs/dbraw/zinc/34/18/56/635341856.db2.gz WEOHGARZEHZJJU-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cnco2)C1 ZINC000981250019 635348948 /nfs/dbraw/zinc/34/89/48/635348948.db2.gz VPXNDORLWJMCJW-WDEREUQCSA-N 1 0 247.298 0.938 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ncccn1 ZINC000931814249 635351143 /nfs/dbraw/zinc/35/11/43/635351143.db2.gz DRWSJJQAXRBLQC-UHFFFAOYSA-N 1 0 247.302 0.553 20 30 BCEDRO CC#CC[N@@H+]1CCCC2(CN(C(C)=O)C2)C1 ZINC000981567024 635370661 /nfs/dbraw/zinc/37/06/61/635370661.db2.gz CBXVSWQRDHHSJN-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccncn1 ZINC001028208706 635476733 /nfs/dbraw/zinc/47/67/33/635476733.db2.gz SLOLPFKBDQHLPT-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccncn1 ZINC001028208707 635477108 /nfs/dbraw/zinc/47/71/08/635477108.db2.gz SLOLPFKBDQHLPT-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO CO[C@H]1C[C@H](NC2=[NH+]CCN2C)C1(C)C ZINC000261532839 635495928 /nfs/dbraw/zinc/49/59/28/635495928.db2.gz KJARHIQEKGPJSP-IUCAKERBSA-N 1 0 211.309 0.691 20 30 BCEDRO CO[C@@H]1C[C@H](NC2=[NH+]CCN2C)C1(C)C ZINC000261532838 635496366 /nfs/dbraw/zinc/49/63/66/635496366.db2.gz KJARHIQEKGPJSP-DTWKUNHWSA-N 1 0 211.309 0.691 20 30 BCEDRO C#CC[NH+]1CC[C@@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001028528426 635720514 /nfs/dbraw/zinc/72/05/14/635720514.db2.gz JYSKEQHORWQAOH-UWVGGRQHSA-N 1 0 242.269 0.713 20 30 BCEDRO C=CCCS(=O)(=O)NCC[NH2+]CC ZINC000237016240 635768226 /nfs/dbraw/zinc/76/82/26/635768226.db2.gz VOMZPARYUZPENL-UHFFFAOYSA-N 1 0 206.311 0.091 20 30 BCEDRO C#CCSCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000895874008 636179893 /nfs/dbraw/zinc/17/98/93/636179893.db2.gz DIVJEQUOJNJWGO-SNVBAGLBSA-N 1 0 238.356 0.706 20 30 BCEDRO O=C1NCCN1CC[NH2+]CC#Cc1ccccc1 ZINC000896053132 636187619 /nfs/dbraw/zinc/18/76/19/636187619.db2.gz BWETZIBCEJWHAQ-UHFFFAOYSA-N 1 0 243.310 0.653 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)CCCC#N)CC1 ZINC000928651494 636263570 /nfs/dbraw/zinc/26/35/70/636263570.db2.gz UJGPMEKIQXWWQF-UHFFFAOYSA-N 1 0 233.315 0.894 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCCS2)CCO1 ZINC000262447670 636265055 /nfs/dbraw/zinc/26/50/55/636265055.db2.gz JERQRIVYEZYSSE-UWVGGRQHSA-N 1 0 243.376 0.917 20 30 BCEDRO C#CC[NH+](C)C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000985292366 636276317 /nfs/dbraw/zinc/27/63/17/636276317.db2.gz VGZGODFCCRTFIC-UHFFFAOYSA-N 1 0 246.314 0.579 20 30 BCEDRO C#CC[N@@H+](C)C1CCN(C(=O)c2cocn2)CC1 ZINC000985325336 636280526 /nfs/dbraw/zinc/28/05/26/636280526.db2.gz FXNFVRLBZJZMJO-UHFFFAOYSA-N 1 0 247.298 0.844 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000985331556 636280958 /nfs/dbraw/zinc/28/09/58/636280958.db2.gz IACFXXQGABDVRE-JTQLQIEISA-N 1 0 239.319 0.061 20 30 BCEDRO C#CC[N@@H+](C)C1CCN(C(=O)C#CC2CC2)CC1 ZINC000985429501 636302419 /nfs/dbraw/zinc/30/24/19/636302419.db2.gz PQNAPLOTSQBDIO-UHFFFAOYSA-N 1 0 244.338 0.956 20 30 BCEDRO CCS(=O)(=O)CCNC(NC(C)(C)C)=[NH+]C ZINC000303469502 636309561 /nfs/dbraw/zinc/30/95/61/636309561.db2.gz HNOWIUJNWFZMIM-UHFFFAOYSA-N 1 0 249.380 0.385 20 30 BCEDRO [NH2+]=C(NCCc1ccco1)N1CCOCC1 ZINC000303783960 636311762 /nfs/dbraw/zinc/31/17/62/636311762.db2.gz OSPGHTGUPDDOLK-UHFFFAOYSA-N 1 0 223.276 0.469 20 30 BCEDRO CNC(=[NH2+])NCCN(C)CC(F)(F)F ZINC000304084025 636321063 /nfs/dbraw/zinc/32/10/63/636321063.db2.gz ZGXVNINFZUJKOJ-UHFFFAOYSA-N 1 0 212.219 0.015 20 30 BCEDRO [NH2+]=C(NCCCOC1CCOCC1)NC1CC1 ZINC000304307362 636322621 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C=CC[NH2+][C@H]1CCN(C(=O)Cc2ccon2)[C@H]1C ZINC000986054373 636481382 /nfs/dbraw/zinc/48/13/82/636481382.db2.gz IVYYRLXPKMDUAF-JQWIXIFHSA-N 1 0 249.314 0.982 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccnn2C)[C@@H]1C ZINC000986061739 636484189 /nfs/dbraw/zinc/48/41/89/636484189.db2.gz GMKRMAYLDSRMEE-GHMZBOCLSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1C ZINC000986087246 636495963 /nfs/dbraw/zinc/49/59/63/636495963.db2.gz XIGZNQCHRQLXEN-PWSUYJOCSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(C)(C)O)[C@@H]1C ZINC000986210004 636544901 /nfs/dbraw/zinc/54/49/01/636544901.db2.gz FOFZNDKODKMDTO-GHMZBOCLSA-N 1 0 240.347 0.912 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C ZINC000986228245 636548043 /nfs/dbraw/zinc/54/80/43/636548043.db2.gz DNZKSLPVVOTJIO-UWVGGRQHSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1C ZINC000986258847 636550099 /nfs/dbraw/zinc/55/00/99/636550099.db2.gz QIEIQHVAIDXRQK-ZJUUUORDSA-N 1 0 234.303 0.788 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccnnc2)[C@@H]1C ZINC000987066592 636621950 /nfs/dbraw/zinc/62/19/50/636621950.db2.gz WDFOYEQDZCZWSS-PWSUYJOCSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccncn2)[C@@H]1C ZINC000987206768 636641538 /nfs/dbraw/zinc/64/15/38/636641538.db2.gz ZNWAFJBEGZUIGP-MNOVXSKESA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ncccn2)[C@@H]1C ZINC000987222985 636641969 /nfs/dbraw/zinc/64/19/69/636641969.db2.gz IXOOUIACZYLEFC-MNOVXSKESA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2oncc2C)[C@H]1C ZINC000987295653 636646645 /nfs/dbraw/zinc/64/66/45/636646645.db2.gz WCQRHZIIUSUGQY-QWRGUYRKSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)COC)C1 ZINC000987657048 636658730 /nfs/dbraw/zinc/65/87/30/636658730.db2.gz OULJZEVIHGCALY-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CC2)C1 ZINC000987679308 636660409 /nfs/dbraw/zinc/66/04/09/636660409.db2.gz GGERZTCGDRSOFJ-GXSJLCMTSA-N 1 0 206.289 0.609 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C(C)(C)F)C1 ZINC000987768573 636666645 /nfs/dbraw/zinc/66/66/45/636666645.db2.gz DWXRLESBBPBURD-UWVGGRQHSA-N 1 0 226.295 0.947 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccccn2)C1 ZINC000987768056 636667417 /nfs/dbraw/zinc/66/74/17/636667417.db2.gz BXZKYJAHWXJPQJ-RYUDHWBXSA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C)on2)C1 ZINC000987958331 636674490 /nfs/dbraw/zinc/67/44/90/636674490.db2.gz DEMSSOKFZGCAOX-ONGXEEELSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CSC)C1 ZINC000987995511 636675501 /nfs/dbraw/zinc/67/55/01/636675501.db2.gz NYVCFGHIRAGTCY-VHSXEESVSA-N 1 0 226.345 0.562 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cn[nH]c2)C1 ZINC000988190791 636681602 /nfs/dbraw/zinc/68/16/02/636681602.db2.gz PQQSVJTZRFJWTA-MWLCHTKSSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccon2)C1 ZINC000988222687 636683020 /nfs/dbraw/zinc/68/30/20/636683020.db2.gz CGJPDKFCEXGWIA-NXEZZACHSA-N 1 0 233.271 0.500 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccnn2C)C1 ZINC000988331733 636690049 /nfs/dbraw/zinc/69/00/49/636690049.db2.gz BJXGSTVNWWLOCD-MNOVXSKESA-N 1 0 248.330 0.799 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2ccon2)C1 ZINC000988388294 636700249 /nfs/dbraw/zinc/70/02/49/636700249.db2.gz CZUDIZXSORVVRI-JQWIXIFHSA-N 1 0 249.314 0.982 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2ccon2)C1 ZINC000988388296 636700396 /nfs/dbraw/zinc/70/03/96/636700396.db2.gz CZUDIZXSORVVRI-ZYHUDNBSSA-N 1 0 249.314 0.982 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cc[nH]n2)C1 ZINC000988435211 636708833 /nfs/dbraw/zinc/70/88/33/636708833.db2.gz HKWSJQOOFRRKKE-CMPLNLGQSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CCN1CC(=O)N([C@H]2CCC[N@@H+](C)C2)C1=O ZINC000925288024 636730170 /nfs/dbraw/zinc/73/01/70/636730170.db2.gz BCUJPTFAUHBUAJ-JTQLQIEISA-N 1 0 237.303 0.531 20 30 BCEDRO C#CC[C@H]1NC(=O)N([C@@H]2CCC[N@@H+](CC)C2)C1=O ZINC000925290049 636734602 /nfs/dbraw/zinc/73/46/02/636734602.db2.gz APZMIZLXYRGHBT-GHMZBOCLSA-N 1 0 249.314 0.414 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ocnc2C)C1 ZINC000988554892 636737378 /nfs/dbraw/zinc/73/73/78/636737378.db2.gz QTNZIZIJUINNCM-KOLCDFICSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn(C)c2)C1 ZINC000988603871 636743191 /nfs/dbraw/zinc/74/31/91/636743191.db2.gz NCKZVMRQFMUBAN-DGCLKSJQSA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn(C)c2)C1 ZINC000988603874 636743524 /nfs/dbraw/zinc/74/35/24/636743524.db2.gz NCKZVMRQFMUBAN-YPMHNXCESA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2coc(C)n2)C1 ZINC000988666436 636754632 /nfs/dbraw/zinc/75/46/32/636754632.db2.gz KHGLMTIPSFOTRW-GXSJLCMTSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cncnc2)C1 ZINC000988681055 636759287 /nfs/dbraw/zinc/75/92/87/636759287.db2.gz VIDLRCSDBUFPLM-PWSUYJOCSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cncnc2)C1 ZINC000988681058 636759307 /nfs/dbraw/zinc/75/93/07/636759307.db2.gz VIDLRCSDBUFPLM-ZYHUDNBSSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C#CC2CC2)C1 ZINC000988825521 636787961 /nfs/dbraw/zinc/78/79/61/636787961.db2.gz MAGVUKIHVXDUSY-DGCLKSJQSA-N 1 0 230.311 0.612 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2n[nH]cc2C)C1 ZINC000988813952 636788558 /nfs/dbraw/zinc/78/85/58/636788558.db2.gz UJBLEXOHIBFJBP-MNOVXSKESA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccsn2)C1 ZINC000989031259 636794757 /nfs/dbraw/zinc/79/47/57/636794757.db2.gz UQTAZMRIFOPPPR-VHSXEESVSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccsn2)C1 ZINC000989031248 636795123 /nfs/dbraw/zinc/79/51/23/636795123.db2.gz UQTAZMRIFOPPPR-NXEZZACHSA-N 1 0 249.339 0.969 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2cn[nH]n2)C1 ZINC000989086898 636798317 /nfs/dbraw/zinc/79/83/17/636798317.db2.gz IZDAKQUWGJVQFH-UWVGGRQHSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(F)c[nH]2)C1 ZINC000989203080 636804141 /nfs/dbraw/zinc/80/41/41/636804141.db2.gz VEIWSBBGLMUEHL-MWLCHTKSSA-N 1 0 249.289 0.980 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2n[nH]nc2C)C1 ZINC000989284474 636811904 /nfs/dbraw/zinc/81/19/04/636811904.db2.gz UDEKGUHWTIZALQ-WCBMZHEXSA-N 1 0 249.318 0.492 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2n[nH]nc2C)C1 ZINC000989284475 636812644 /nfs/dbraw/zinc/81/26/44/636812644.db2.gz UDEKGUHWTIZALQ-WPRPVWTQSA-N 1 0 249.318 0.492 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cnoc2)C1 ZINC000989341260 636818376 /nfs/dbraw/zinc/81/83/76/636818376.db2.gz KGRDCUVWDHBMKZ-CMPLNLGQSA-N 1 0 249.314 0.982 20 30 BCEDRO C[NH+](C)CCCCC(=O)n1ncc(C#N)c1N ZINC000729528023 636818904 /nfs/dbraw/zinc/81/89/04/636818904.db2.gz XDSSJQDOBSEFRP-UHFFFAOYSA-N 1 0 235.291 0.709 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cnoc2)C1 ZINC000989341272 636819208 /nfs/dbraw/zinc/81/92/08/636819208.db2.gz KGRDCUVWDHBMKZ-ZYHUDNBSSA-N 1 0 249.314 0.982 20 30 BCEDRO CC#CCN(C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897862093 636839423 /nfs/dbraw/zinc/83/94/23/636839423.db2.gz YHKIDPBRACGPTO-LBPRGKRZSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccnnc2)C1 ZINC000989477195 636857314 /nfs/dbraw/zinc/85/73/14/636857314.db2.gz PLHFLUFWYRHJJS-JQWIXIFHSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ncccn2)C1 ZINC000989587987 636866770 /nfs/dbraw/zinc/86/67/70/636866770.db2.gz UKLHJNYMTGMZRV-GHMZBOCLSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ncccn2)C1 ZINC000989587988 636867183 /nfs/dbraw/zinc/86/71/83/636867183.db2.gz UKLHJNYMTGMZRV-MNOVXSKESA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccnn2)C1 ZINC000989592818 636867773 /nfs/dbraw/zinc/86/77/73/636867773.db2.gz DGIUEXCGFXQTDP-MNOVXSKESA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2oncc2C)C1 ZINC000989631943 636869171 /nfs/dbraw/zinc/86/91/71/636869171.db2.gz NQZYQXILMOGZOD-WDEREUQCSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2nnc[nH]2)C1 ZINC000989658291 636870393 /nfs/dbraw/zinc/87/03/93/636870393.db2.gz VSUIQPFPPOKCNG-ZJUUUORDSA-N 1 0 249.318 0.112 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cncn2)C1 ZINC000989752252 636879212 /nfs/dbraw/zinc/87/92/12/636879212.db2.gz LQFYDAJSEWULTH-WDEREUQCSA-N 1 0 249.318 0.043 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2nonc2C)C1 ZINC000989850150 636884656 /nfs/dbraw/zinc/88/46/56/636884656.db2.gz NODLMWNPMGVOMJ-WCBMZHEXSA-N 1 0 248.286 0.204 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2ccnc2)C1 ZINC000989853063 636885581 /nfs/dbraw/zinc/88/55/81/636885581.db2.gz FBPFPPZFWOTOIE-NWDGAFQWSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[N@@H+]1CC[C@]2(NC(C)=O)CCC[C@H]12 ZINC000989870731 636887756 /nfs/dbraw/zinc/88/77/56/636887756.db2.gz NZXZKEOSCZLFMF-NWDGAFQWSA-N 1 0 206.289 0.753 20 30 BCEDRO CC[C@@H](C)NC(NCc1noc(C)n1)=[NH+]C ZINC000088905530 636903305 /nfs/dbraw/zinc/90/33/05/636903305.db2.gz GSKVTOFDZOEVQB-SSDOTTSWSA-N 1 0 225.296 0.842 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000898592284 637048937 /nfs/dbraw/zinc/04/89/37/637048937.db2.gz KHXWOOUCWOJBPP-UHFFFAOYSA-N 1 0 237.347 0.993 20 30 BCEDRO N#Cc1ccc(NCC[NH2+][C@@H]2CCOC2)nc1 ZINC000927163557 637071085 /nfs/dbraw/zinc/07/10/85/637071085.db2.gz FCAOERGQYQMSLD-LLVKDONJSA-N 1 0 232.287 0.744 20 30 BCEDRO C#CCN(CC)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900352668 637178727 /nfs/dbraw/zinc/17/87/27/637178727.db2.gz HMMVGIJFLZFAJU-ZDUSSCGKSA-N 1 0 238.331 0.315 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC[C@@H](C)O ZINC000900932113 637215278 /nfs/dbraw/zinc/21/52/78/637215278.db2.gz IQFWZRVRCQHIGH-LLVKDONJSA-N 1 0 228.336 0.724 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)c2cn(C)nn2)C1 ZINC000903092852 637343379 /nfs/dbraw/zinc/34/33/79/637343379.db2.gz DSJJRENXAKRDAW-NEPJUHHUSA-N 1 0 247.346 0.563 20 30 BCEDRO C=CCC[C@H](O)CN1CC[NH2+]C[C@@H]1CCOC ZINC000903841354 637385348 /nfs/dbraw/zinc/38/53/48/637385348.db2.gz WTTQSCLLDBLTQK-STQMWFEESA-N 1 0 242.363 0.624 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000905004377 637541387 /nfs/dbraw/zinc/54/13/87/637541387.db2.gz IYTKECZHTSVLTH-HTQZYQBOSA-N 1 0 249.236 0.541 20 30 BCEDRO C#CCOCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905044735 637564300 /nfs/dbraw/zinc/56/43/00/637564300.db2.gz BBOWOOMREKTJQD-SNVBAGLBSA-N 1 0 241.360 0.646 20 30 BCEDRO C[NH+](C)CCNC(=O)c1ccsc1C#N ZINC000905050771 637568074 /nfs/dbraw/zinc/56/80/74/637568074.db2.gz QSYXPFATKNJERC-UHFFFAOYSA-N 1 0 223.301 0.911 20 30 BCEDRO C#CCCCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905160807 637651572 /nfs/dbraw/zinc/65/15/72/637651572.db2.gz SSHZGYVRISXTNO-OLZOCXBDSA-N 1 0 241.331 0.282 20 30 BCEDRO Cc1nnc(C(=O)NCC#CC[NH+](C)C)s1 ZINC000905152380 637662973 /nfs/dbraw/zinc/66/29/73/637662973.db2.gz XFFFZNBUCHUJJQ-UHFFFAOYSA-N 1 0 238.316 0.141 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905203247 637695312 /nfs/dbraw/zinc/69/53/12/637695312.db2.gz PONKYSNCWNHHGR-JTQLQIEISA-N 1 0 215.293 0.055 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905203553 637696270 /nfs/dbraw/zinc/69/62/70/637696270.db2.gz RMZDHPUXJZDLLI-GFCCVEGCSA-N 1 0 243.347 0.835 20 30 BCEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905242649 637726146 /nfs/dbraw/zinc/72/61/46/637726146.db2.gz DMZSYZYGHCWDIO-RYUDHWBXSA-N 1 0 243.347 0.833 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905272892 637732339 /nfs/dbraw/zinc/73/23/39/637732339.db2.gz LFQKMYYMKZTWLL-RYUDHWBXSA-N 1 0 229.320 0.445 20 30 BCEDRO C=C(CC)C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905281701 637736714 /nfs/dbraw/zinc/73/67/14/637736714.db2.gz VBYRUVKIKHOSDP-VXGBXAGGSA-N 1 0 229.320 0.445 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)OC)[C@H]1C ZINC001074557806 711443686 /nfs/dbraw/zinc/44/36/86/711443686.db2.gz YHAYNKGQUZFKQU-SDDRHHMPSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000905358265 637776989 /nfs/dbraw/zinc/77/69/89/637776989.db2.gz PJHOQLRQOJEGCJ-IUCAKERBSA-N 1 0 239.237 0.664 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905359532 637777038 /nfs/dbraw/zinc/77/70/38/637777038.db2.gz UNECYARULHJOAM-VXGBXAGGSA-N 1 0 243.347 0.569 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905359524 637777246 /nfs/dbraw/zinc/77/72/46/637777246.db2.gz UNECYARULHJOAM-NWDGAFQWSA-N 1 0 243.347 0.569 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905359527 637777709 /nfs/dbraw/zinc/77/77/09/637777709.db2.gz UNECYARULHJOAM-RYUDHWBXSA-N 1 0 243.347 0.569 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@](C)(O)C(F)F ZINC000905360208 637779500 /nfs/dbraw/zinc/77/95/00/637779500.db2.gz XRYGZJFOLQUTQN-APPZFPTMSA-N 1 0 209.236 0.529 20 30 BCEDRO C#C[C@H]([NH2+]CC[N+](=O)[O-])C1CCOCC1 ZINC000905380168 637782454 /nfs/dbraw/zinc/78/24/54/637782454.db2.gz HGSPUNQFYPZURS-JTQLQIEISA-N 1 0 212.249 0.281 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)C[C@@H](O)c1ccccc1 ZINC000905365228 637787675 /nfs/dbraw/zinc/78/76/75/637787675.db2.gz HVKDRIVMGRNJOK-HZSPNIEDSA-N 1 0 249.310 0.055 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@](C)(O)C(F)F ZINC000905365391 637788152 /nfs/dbraw/zinc/78/81/52/637788152.db2.gz PFKPLGAUGMRLGW-WPRPVWTQSA-N 1 0 221.247 0.366 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905364308 637788186 /nfs/dbraw/zinc/78/81/86/637788186.db2.gz DFIRFUVJKXMELL-GHMZBOCLSA-N 1 0 229.320 0.037 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@](O)(CC)C(F)(F)F ZINC000905366519 637789800 /nfs/dbraw/zinc/78/98/00/637789800.db2.gz OSIVEQPAKUQORW-JGVFFNPUSA-N 1 0 225.210 0.274 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000905452961 637809232 /nfs/dbraw/zinc/80/92/32/637809232.db2.gz POQWRKMNLJDMPF-NWDGAFQWSA-N 1 0 239.319 0.161 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)COCC ZINC000905450641 637809599 /nfs/dbraw/zinc/80/95/99/637809599.db2.gz HQFGXOMUWWHIJX-WDEREUQCSA-N 1 0 217.309 0.301 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000905451322 637810156 /nfs/dbraw/zinc/81/01/56/637810156.db2.gz KFLQRAZRECBAIQ-NEPJUHHUSA-N 1 0 238.331 0.958 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000905452688 637810414 /nfs/dbraw/zinc/81/04/14/637810414.db2.gz OCYPPIWLEDXEOY-HTQZYQBOSA-N 1 0 227.226 0.826 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)COCC(C)C ZINC000905451754 637810479 /nfs/dbraw/zinc/81/04/79/637810479.db2.gz KVYCHGRCAUSGRN-OLZOCXBDSA-N 1 0 245.363 0.937 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000905452691 637810481 /nfs/dbraw/zinc/81/04/81/637810481.db2.gz OCYPPIWLEDXEOY-YUMQZZPRSA-N 1 0 227.226 0.826 20 30 BCEDRO CCN1CC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000905440874 637816272 /nfs/dbraw/zinc/81/62/72/637816272.db2.gz HNIWIRMJRUHUQS-VXGBXAGGSA-N 1 0 239.363 0.971 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)CSC ZINC000905454447 637820220 /nfs/dbraw/zinc/82/02/20/637820220.db2.gz SXWJOAAWNTWUHV-UWVGGRQHSA-N 1 0 219.350 0.627 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)O ZINC000905455207 637820410 /nfs/dbraw/zinc/82/04/10/637820410.db2.gz XCBOIEOTOFSDEG-WDEREUQCSA-N 1 0 231.336 0.425 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C[C@H](O)COCC)C1 ZINC000905459125 637823001 /nfs/dbraw/zinc/82/30/01/637823001.db2.gz FDCPRIMNYRGLTO-STQMWFEESA-N 1 0 240.347 0.071 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]CC2(O)CCCC2)C1 ZINC000905459235 637823051 /nfs/dbraw/zinc/82/30/51/637823051.db2.gz GASGTTHRCDTUGV-ZDUSSCGKSA-N 1 0 236.359 0.979 20 30 BCEDRO C[C@@H]1[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CCN1C ZINC000905541951 637839399 /nfs/dbraw/zinc/83/93/99/637839399.db2.gz GQVPECSBBXVYDH-IJLUTSLNSA-N 1 0 237.347 0.723 20 30 BCEDRO CN1CC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000905546252 637840463 /nfs/dbraw/zinc/84/04/63/637840463.db2.gz KXXXXDARYHUHSC-QWRGUYRKSA-N 1 0 225.336 0.581 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=S)NCC[NH+](C)C ZINC000905561171 637847415 /nfs/dbraw/zinc/84/74/15/637847415.db2.gz DOZDYMPGALNCHP-SNVBAGLBSA-N 1 0 245.392 0.339 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ncc(C)cc1C ZINC000905576159 637851016 /nfs/dbraw/zinc/85/10/16/637851016.db2.gz LCRZESLTOGVEJR-UHFFFAOYSA-N 1 0 245.326 0.928 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=S)NC(C)C)C1 ZINC000905570382 637851035 /nfs/dbraw/zinc/85/10/35/637851035.db2.gz JLQNOFKRAOKEAK-LLVKDONJSA-N 1 0 239.388 0.957 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@]12C[C@H]1CCC2 ZINC000905621265 637860741 /nfs/dbraw/zinc/86/07/41/637860741.db2.gz NAOXFVFQDQMPDZ-YPMHNXCESA-N 1 0 220.316 0.906 20 30 BCEDRO C#CCN(C(=S)NCC[NH+](C)C)C(C)C ZINC000905652851 637872864 /nfs/dbraw/zinc/87/28/64/637872864.db2.gz ZTWAUGTVUXIPAR-UHFFFAOYSA-N 1 0 227.377 0.766 20 30 BCEDRO Cc1nn(C[C@@H]2CC[C@H]([NH3+])C2)c(=O)c(C#N)c1C ZINC000905731435 637901175 /nfs/dbraw/zinc/90/11/75/637901175.db2.gz KPEITDRBFKERDY-MNOVXSKESA-N 1 0 246.314 0.859 20 30 BCEDRO Cc1nn(C[C@@H]2C[NH2+]C[C@H]2C)c(=O)c(C#N)c1C ZINC000905732026 637901487 /nfs/dbraw/zinc/90/14/87/637901487.db2.gz VEFMSGCBOOVKQY-KCJUWKMLSA-N 1 0 246.314 0.587 20 30 BCEDRO CC[C@@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000905871178 637957043 /nfs/dbraw/zinc/95/70/43/637957043.db2.gz WHBPZFNEWHPTSP-QWRGUYRKSA-N 1 0 226.320 0.792 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)CC(=O)OC)CC1 ZINC000906591756 638215057 /nfs/dbraw/zinc/21/50/57/638215057.db2.gz HATGKHLPTSFGBM-UHFFFAOYSA-N 1 0 240.303 0.316 20 30 BCEDRO C=CC[C@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906724038 638239578 /nfs/dbraw/zinc/23/95/78/638239578.db2.gz DRIOCVKABBTDNE-NSHDSACASA-N 1 0 239.363 0.561 20 30 BCEDRO CC(C)(C#N)CNC(=O)Cc1c[nH]cn1 ZINC000907296835 638345586 /nfs/dbraw/zinc/34/55/86/638345586.db2.gz VBEKCGWIDYIYQQ-UHFFFAOYSA-N 1 0 206.249 0.618 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[S@@](C)=O ZINC000907337239 638348411 /nfs/dbraw/zinc/34/84/11/638348411.db2.gz VARYTISAOUSXKC-QLJPJBMISA-N 1 0 246.376 0.378 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[S@](C)=O ZINC000907337236 638349388 /nfs/dbraw/zinc/34/93/88/638349388.db2.gz VARYTISAOUSXKC-HWPZZCPQSA-N 1 0 246.376 0.378 20 30 BCEDRO C#CCOCCNC(=O)C(=C)CC[NH+](C)C ZINC000907341426 638351133 /nfs/dbraw/zinc/35/11/33/638351133.db2.gz WBWPEGWDXGJLEP-UHFFFAOYSA-N 1 0 224.304 0.260 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC1(CO)CC1 ZINC000907609186 638410458 /nfs/dbraw/zinc/41/04/58/638410458.db2.gz BAPNOBGPLRWING-UHFFFAOYSA-N 1 0 240.347 0.725 20 30 BCEDRO C#C[C@H](CC)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907718951 638456200 /nfs/dbraw/zinc/45/62/00/638456200.db2.gz VAZHFSXAVZQHIZ-GFCCVEGCSA-N 1 0 237.347 0.008 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCCCCO ZINC000907854907 638489034 /nfs/dbraw/zinc/48/90/34/638489034.db2.gz RNKOJMTWJKSOFF-UHFFFAOYSA-N 1 0 228.336 0.773 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](O)C(C)(C)C1 ZINC000907859899 638489662 /nfs/dbraw/zinc/48/96/62/638489662.db2.gz RGQSQLGNIRFEIK-NSHDSACASA-N 1 0 240.347 0.724 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)c2cnccc2C#N)C1 ZINC000908013965 638548890 /nfs/dbraw/zinc/54/88/90/638548890.db2.gz XPXBVQQFBBWEIG-UHFFFAOYSA-N 1 0 244.298 0.776 20 30 BCEDRO O=C(NCC#CCO)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908032568 638556874 /nfs/dbraw/zinc/55/68/74/638556874.db2.gz QCMJHOFCNNJMMC-NWDGAFQWSA-N 1 0 236.315 0.115 20 30 BCEDRO C=C1CCC(C(=O)N[C@@H](CO)C[NH+](C)C)CC1 ZINC000908199096 638607427 /nfs/dbraw/zinc/60/74/27/638607427.db2.gz CMXRDOLTZIWMFF-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000908348943 638660379 /nfs/dbraw/zinc/66/03/79/638660379.db2.gz LEULAKCDTYKFCN-GDNZZTSVSA-N 1 0 238.331 0.191 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CCc1cn[nH]c1 ZINC000908436332 638713813 /nfs/dbraw/zinc/71/38/13/638713813.db2.gz PNBRUDYEOHDXGK-UHFFFAOYSA-N 1 0 248.330 0.414 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)[C@H](O)CC ZINC000908436914 638713938 /nfs/dbraw/zinc/71/39/38/638713938.db2.gz ZOEHVDHBTRDPKP-VXGBXAGGSA-N 1 0 240.347 0.465 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC1=CCOCC1 ZINC000908542459 639008324 /nfs/dbraw/zinc/00/83/24/639008324.db2.gz IBJFVKBOUHTQGQ-UHFFFAOYSA-N 1 0 238.331 0.957 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CC)[C@@H](C)O ZINC000909025908 639127115 /nfs/dbraw/zinc/12/71/15/639127115.db2.gz NGXAMMFHSWOSQH-GHMZBOCLSA-N 1 0 228.336 0.770 20 30 BCEDRO N#C[C@H](CO)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000909304975 639201693 /nfs/dbraw/zinc/20/16/93/639201693.db2.gz JASGRFQVPXPKTG-VWYCJHECSA-N 1 0 237.303 0.004 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H](CF)C1 ZINC000910403412 639432186 /nfs/dbraw/zinc/43/21/86/639432186.db2.gz PWAYELQGXUJALG-NSHDSACASA-N 1 0 244.310 0.691 20 30 BCEDRO N#CC1(CNC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC000910945899 639549899 /nfs/dbraw/zinc/54/98/99/639549899.db2.gz ZTJDLQDHUAUWJX-UHFFFAOYSA-N 1 0 233.315 0.892 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](O)C1(O)CCOCC1 ZINC000930252978 639664124 /nfs/dbraw/zinc/66/41/24/639664124.db2.gz IQWJCPBMJQLOAX-LLVKDONJSA-N 1 0 229.320 0.397 20 30 BCEDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930266666 639669696 /nfs/dbraw/zinc/66/96/96/639669696.db2.gz CGIWGDQBRGEWDN-QJPTWQEYSA-N 1 0 226.320 0.886 20 30 BCEDRO COC(=O)CC1([NH2+]C[C@H](O)CC#N)CCCC1 ZINC000930277758 639678334 /nfs/dbraw/zinc/67/83/34/639678334.db2.gz YMGWRWSRIKAFAX-SNVBAGLBSA-N 1 0 240.303 0.726 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000911632646 639691125 /nfs/dbraw/zinc/69/11/25/639691125.db2.gz AXZFZGYWQQQLLB-CMPLNLGQSA-N 1 0 226.320 0.381 20 30 BCEDRO C[N@@H+]1CCN(C[C@H](O)CC#N)CC1(C)C ZINC000930312083 639696417 /nfs/dbraw/zinc/69/64/17/639696417.db2.gz HVJAOKUMWNHDCW-SNVBAGLBSA-N 1 0 211.309 0.287 20 30 BCEDRO CC[C@@H]1C[N@H+](C[C@H](O)CC#N)CCCO1 ZINC000930317685 639699909 /nfs/dbraw/zinc/69/99/09/639699909.db2.gz SRSQNEZWPMBECP-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[NH2+]CC1 ZINC000911648098 639703822 /nfs/dbraw/zinc/70/38/22/639703822.db2.gz HUYDPXNYKXFBRD-QWRGUYRKSA-N 1 0 224.304 0.399 20 30 BCEDRO C[NH2+]CCCNC(=O)c1ccc(C#N)cc1OC ZINC000911678158 639721248 /nfs/dbraw/zinc/72/12/48/639721248.db2.gz XTSDGXJSXCFLQZ-UHFFFAOYSA-N 1 0 247.298 0.906 20 30 BCEDRO C#CCNCC(=O)Nc1ccccc1C[NH2+]CC ZINC000911684513 639725920 /nfs/dbraw/zinc/72/59/20/639725920.db2.gz DTCXHPGAGGZJSM-UHFFFAOYSA-N 1 0 245.326 0.957 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000911695292 639730760 /nfs/dbraw/zinc/73/07/60/639730760.db2.gz KESPRONNENRZKX-DCAQKATOSA-N 1 0 224.304 0.446 20 30 BCEDRO C=C[C@H](CC)CC(=O)NCCN1CC[NH2+]CC1 ZINC000911694367 639731230 /nfs/dbraw/zinc/73/12/30/639731230.db2.gz VOJXXWJAEFGZJX-GFCCVEGCSA-N 1 0 239.363 0.610 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC1CCC([NH3+])CC1 ZINC000911727494 639753218 /nfs/dbraw/zinc/75/32/18/639753218.db2.gz LQHRRWSJYQROPN-NWGYLPEXSA-N 1 0 212.293 0.310 20 30 BCEDRO 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N#Cc1cncc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)c1 ZINC000930543026 639808273 /nfs/dbraw/zinc/80/82/73/639808273.db2.gz IUPWILDOCDJISC-ITGUQSILSA-N 1 0 229.283 0.623 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H](O)C12CCCC2 ZINC000930571056 639812622 /nfs/dbraw/zinc/81/26/22/639812622.db2.gz JVBAKJFAKORYHW-GHMZBOCLSA-N 1 0 224.304 0.640 20 30 BCEDRO CC#CC[N@H+](C)C[C@H](O)CCC1(O)CCC1 ZINC000930588802 639814756 /nfs/dbraw/zinc/81/47/56/639814756.db2.gz IRLTZCKOTXLLDS-GFCCVEGCSA-N 1 0 225.332 0.998 20 30 BCEDRO C[N@@H+]1CC[C@]2(C1)CCCN(C[C@H](O)CC#N)C2 ZINC000930602716 639817231 /nfs/dbraw/zinc/81/72/31/639817231.db2.gz YFKKUYGZDIPSAD-OLZOCXBDSA-N 1 0 237.347 0.679 20 30 BCEDRO CC1(C)[C@H]([NH2+]C[C@H](O)CC#N)[C@@H]2CCO[C@H]21 ZINC000930625630 639828409 /nfs/dbraw/zinc/82/84/09/639828409.db2.gz NLGWSQAIFAHYDK-LMLFDSFASA-N 1 0 224.304 0.664 20 30 BCEDRO CC1(C)[C@H]([NH2+]C[C@H](O)CC#N)[C@@H]2CCO[C@@H]21 ZINC000930625631 639829201 /nfs/dbraw/zinc/82/92/01/639829201.db2.gz NLGWSQAIFAHYDK-YTWAJWBKSA-N 1 0 224.304 0.664 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000911823925 639837196 /nfs/dbraw/zinc/83/71/96/639837196.db2.gz BDQGAEMRSPZZKG-WCBMZHEXSA-N 1 0 200.282 0.023 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@H]([C@@H](CO)C1CC1)C1CC1 ZINC000930639797 639837944 /nfs/dbraw/zinc/83/79/44/639837944.db2.gz MQUAAJFXKNGNHT-FRRDWIJNSA-N 1 0 238.331 0.648 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000911817314 639850197 /nfs/dbraw/zinc/85/01/97/639850197.db2.gz HCFLEPZIPIGFFO-YWVKMMECSA-N 1 0 212.293 0.119 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911857426 639859673 /nfs/dbraw/zinc/85/96/73/639859673.db2.gz WJNGUTTWFBCCMD-JFGNBEQYSA-N 1 0 224.304 0.276 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](Nc2ccnc(C#N)c2)C1 ZINC000911882542 639867366 /nfs/dbraw/zinc/86/73/66/639867366.db2.gz IFWBNUQUONJIRS-GFCCVEGCSA-N 1 0 246.314 0.508 20 30 BCEDRO C=CCNC(=O)C1([C@@H](C)[NH3+])CCOCC1 ZINC000911925596 639882584 /nfs/dbraw/zinc/88/25/84/639882584.db2.gz BCAMXGHYWHHYSV-SECBINFHSA-N 1 0 212.293 0.433 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000930746778 639894574 /nfs/dbraw/zinc/89/45/74/639894574.db2.gz ITABICWNEQHHSB-GHMZBOCLSA-N 1 0 212.293 0.134 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)Nc1ccnn1C ZINC000930803249 639911255 /nfs/dbraw/zinc/91/12/55/639911255.db2.gz OPBAHSMTXFRFLW-UHFFFAOYSA-N 1 0 249.318 0.497 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@](C)(CO)OC ZINC000912052160 639939334 /nfs/dbraw/zinc/93/93/34/639939334.db2.gz RHHMWUADWQRMQX-LBPRGKRZSA-N 1 0 244.335 0.008 20 30 BCEDRO C[C@@H](CO)C1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000930854514 639950500 /nfs/dbraw/zinc/95/05/00/639950500.db2.gz FEXGWXLOBIBLPG-CMPLNLGQSA-N 1 0 226.320 0.601 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC(=O)NC1CC1 ZINC000912113646 639950785 /nfs/dbraw/zinc/95/07/85/639950785.db2.gz PBRILKNXDYIKCG-SNVBAGLBSA-N 1 0 239.319 0.065 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)C2(O)CCCC2)C1 ZINC000930885980 639971510 /nfs/dbraw/zinc/97/15/10/639971510.db2.gz PJUDLQYURZHBGJ-STQMWFEESA-N 1 0 237.343 0.998 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000930886611 639973209 /nfs/dbraw/zinc/97/32/09/639973209.db2.gz UUKDWJHFNPYGDB-MNOVXSKESA-N 1 0 222.288 0.494 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCN(C)OC ZINC000912163849 639983674 /nfs/dbraw/zinc/98/36/74/639983674.db2.gz ZZQIWJHEZCEULZ-UHFFFAOYSA-N 1 0 229.324 0.104 20 30 BCEDRO C#CCC[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC000930914058 639985028 /nfs/dbraw/zinc/98/50/28/639985028.db2.gz ZCBVEVZUSXMLFL-OUAUKWLOSA-N 1 0 208.305 0.984 20 30 BCEDRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1C[C@H](O)CC#N ZINC000930913974 639985294 /nfs/dbraw/zinc/98/52/94/639985294.db2.gz YUJKZQBUJKMVNA-YTWAJWBKSA-N 1 0 239.319 0.235 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCOCC ZINC000912262381 640007778 /nfs/dbraw/zinc/00/77/78/640007778.db2.gz SDZWFBIFSFODCS-SNVBAGLBSA-N 1 0 214.309 0.823 20 30 BCEDRO CC(C)C#CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000912320389 640027352 /nfs/dbraw/zinc/02/73/52/640027352.db2.gz ABWCOQJNLYQRCZ-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO O=C(C#CC1CC1)N1CC([NH+]2CCCC2)C1 ZINC000912321765 640029723 /nfs/dbraw/zinc/02/97/23/640029723.db2.gz KFUOIPZYNDXTPR-UHFFFAOYSA-N 1 0 218.300 0.706 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](N(C)C)[C@@H]1C ZINC000931039285 640032839 /nfs/dbraw/zinc/03/28/39/640032839.db2.gz XGGXSMAYSQFCSH-NWDGAFQWSA-N 1 0 237.347 0.150 20 30 BCEDRO C=CCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000912378438 640033130 /nfs/dbraw/zinc/03/31/30/640033130.db2.gz FDOCVEJQEZZMFI-LBPRGKRZSA-N 1 0 226.320 0.526 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)N(CC)CC(=O)NC ZINC000912378821 640034979 /nfs/dbraw/zinc/03/49/79/640034979.db2.gz MYZOEWXGPCPCHL-SNVBAGLBSA-N 1 0 241.335 0.265 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912379568 640035426 /nfs/dbraw/zinc/03/54/26/640035426.db2.gz NXHOEYJQGDHMTR-CABZTGNLSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912379570 640036093 /nfs/dbraw/zinc/03/60/93/640036093.db2.gz NXHOEYJQGDHMTR-JOYOIKCWSA-N 1 0 221.304 0.747 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931046489 640041827 /nfs/dbraw/zinc/04/18/27/640041827.db2.gz BMTJZFUGACHKEW-SDDRHHMPSA-N 1 0 237.347 0.149 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H](O)CC#N)C[C@@]1(C)CO ZINC000931067557 640055362 /nfs/dbraw/zinc/05/53/62/640055362.db2.gz WEBWZXUOBUHSGP-MXWKQRLJSA-N 1 0 212.293 0.211 20 30 BCEDRO C#CC[NH2+]CC(=O)N1CCC[C@H]1c1cc(C)on1 ZINC000912466996 640072884 /nfs/dbraw/zinc/07/28/84/640072884.db2.gz INIOUVHSHGWALP-LBPRGKRZSA-N 1 0 247.298 0.869 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H]2CC3(CC3)C(=O)O2)CC1 ZINC000931151406 640079899 /nfs/dbraw/zinc/07/98/99/640079899.db2.gz SZIGGSIXZAZJME-NSHDSACASA-N 1 0 249.310 0.542 20 30 BCEDRO CCCCCCCC[C@@H]([NH3+])C(=O)NCC(N)=O ZINC000912454032 640082252 /nfs/dbraw/zinc/08/22/52/640082252.db2.gz LKUGILVXFVWJOC-SNVBAGLBSA-N 1 0 243.351 0.666 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1n[nH]nc1C ZINC000912470230 640086722 /nfs/dbraw/zinc/08/67/22/640086722.db2.gz SAZIXKJOEURCJF-UHFFFAOYSA-N 1 0 223.280 0.560 20 30 BCEDRO C=CCC[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931228151 640106441 /nfs/dbraw/zinc/10/64/41/640106441.db2.gz CRCFFSQFAXNHML-JTQLQIEISA-N 1 0 232.349 0.706 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282276 640136825 /nfs/dbraw/zinc/13/68/25/640136825.db2.gz OESBLBXUBVOEGL-WYUUTHIRSA-N 1 0 237.347 0.169 20 30 BCEDRO C#CCOCCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931313368 640151088 /nfs/dbraw/zinc/15/10/88/640151088.db2.gz AYNPCIGKMRJIET-KBPBESRZSA-N 1 0 236.359 0.910 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000912716484 640175484 /nfs/dbraw/zinc/17/54/84/640175484.db2.gz HYPHGWWJYUXYRK-WOPDTQHZSA-N 1 0 238.331 0.666 20 30 BCEDRO C=C[C@H](CO)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000912718996 640177864 /nfs/dbraw/zinc/17/78/64/640177864.db2.gz KFPHRAUVKBSSFK-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCOCCF ZINC000912764161 640195832 /nfs/dbraw/zinc/19/58/32/640195832.db2.gz PHBWIJHRUAIXGY-UHFFFAOYSA-N 1 0 232.299 0.597 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@H]([NH+]3CCC3)C2)[nH]1 ZINC000912913088 640235396 /nfs/dbraw/zinc/23/53/96/640235396.db2.gz GUNWAQPJSOVXHS-NSHDSACASA-N 1 0 244.298 0.807 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H](O)[C@H]2CCCC[C@H]21 ZINC000931506452 640239823 /nfs/dbraw/zinc/23/98/23/640239823.db2.gz ZNDURYUOPICZBA-XQHKEYJVSA-N 1 0 238.331 0.886 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912903127 640247304 /nfs/dbraw/zinc/24/73/04/640247304.db2.gz JAAGFRKLYBLSJL-RYUDHWBXSA-N 1 0 236.315 0.331 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912905040 640250017 /nfs/dbraw/zinc/25/00/17/640250017.db2.gz XWPHMGGFIVOEKD-PWSUYJOCSA-N 1 0 224.304 0.230 20 30 BCEDRO N#CC[C@@H](O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931518701 640250226 /nfs/dbraw/zinc/25/02/26/640250226.db2.gz RFKBODMFYZPCFD-SECBINFHSA-N 1 0 232.287 0.296 20 30 BCEDRO C=CCNC(=O)CN1CCn2ccnc21 ZINC000931527214 640256906 /nfs/dbraw/zinc/25/69/06/640256906.db2.gz ABWBIHUOCZNYKC-UHFFFAOYSA-N 1 0 206.249 0.005 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(C[C@H](O)CC#N)CC[C@@H]21 ZINC000931545488 640262325 /nfs/dbraw/zinc/26/23/25/640262325.db2.gz FGYDGNVNFQPKGZ-UTUOFQBUSA-N 1 0 223.320 0.287 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC2(C1)CCCO2 ZINC000913008169 640273487 /nfs/dbraw/zinc/27/34/87/640273487.db2.gz GCZHUQODSOISOF-UHFFFAOYSA-N 1 0 238.331 0.886 20 30 BCEDRO C=CC[NH+]1CCC(N2C(=O)N[C@@H](C)C2=O)CC1 ZINC000348915898 640280963 /nfs/dbraw/zinc/28/09/63/640280963.db2.gz URIIEOUMSZPAJW-VIFPVBQESA-N 1 0 237.303 0.577 20 30 BCEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C[C@H](O)CC#N ZINC000931619582 640289670 /nfs/dbraw/zinc/28/96/70/640289670.db2.gz AGVOQQGNSRLMAN-IJLUTSLNSA-N 1 0 223.320 0.429 20 30 BCEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C[C@H](O)CC#N ZINC000931619584 640290815 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640325088 /nfs/dbraw/zinc/32/50/88/640325088.db2.gz QMYXIVHMGQIURK-GFCCVEGCSA-N 1 0 237.347 0.821 20 30 BCEDRO CON=CC(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000913279729 640345169 /nfs/dbraw/zinc/34/51/69/640345169.db2.gz WMBBAPSFXJOPLR-TXEJJXNPSA-N 1 0 239.319 0.419 20 30 BCEDRO C[C@]1(CNC(=[NH2+])N2CCSCC2)CCCO1 ZINC000151244038 640350001 /nfs/dbraw/zinc/35/00/01/640350001.db2.gz VYUBNQLUILPEMA-LLVKDONJSA-N 1 0 243.376 0.919 20 30 BCEDRO CC[C@H](CO)[NH2+]Cc1ccncc1C#N ZINC000931772253 640363851 /nfs/dbraw/zinc/36/38/51/640363851.db2.gz JVSALZMQCNQPFO-LLVKDONJSA-N 1 0 205.261 0.814 20 30 BCEDRO CC[C@H](CO)[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000931774622 640366619 /nfs/dbraw/zinc/36/66/19/640366619.db2.gz LICMHWDHFJRGHQ-VHSXEESVSA-N 1 0 239.319 0.298 20 30 BCEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913525015 640380193 /nfs/dbraw/zinc/38/01/93/640380193.db2.gz HEMIZYYQDRETSV-VOAKCMCISA-N 1 0 234.343 0.960 20 30 BCEDRO Cc1nnsc1C(=O)NCC#CC[NH+](C)C ZINC000913515918 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0.932 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000966910801 642794514 /nfs/dbraw/zinc/79/45/14/642794514.db2.gz CUNGPOYKWGOISC-SNVBAGLBSA-N 1 0 233.271 0.420 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCn2cncn2)C1 ZINC000967154819 642794903 /nfs/dbraw/zinc/79/49/03/642794903.db2.gz FCFLZHBZEAYGAK-LLVKDONJSA-N 1 0 249.318 0.045 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnns2)C1 ZINC000967400365 642800683 /nfs/dbraw/zinc/80/06/83/642800683.db2.gz OVTOVOQDQHILEN-MRVPVSSYSA-N 1 0 238.316 0.528 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000967545478 642800846 /nfs/dbraw/zinc/80/08/46/642800846.db2.gz FVVYYECTHFPCOP-GFCCVEGCSA-N 1 0 234.299 0.504 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cncs2)C1 ZINC000967412444 642800954 /nfs/dbraw/zinc/80/09/54/642800954.db2.gz HILVFQLSEGCETQ-SECBINFHSA-N 1 0 235.312 0.580 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC000967548121 642801467 /nfs/dbraw/zinc/80/14/67/642801467.db2.gz QJFLOPFZDGXGFA-NWDGAFQWSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)OC)C1 ZINC000967580907 642801572 /nfs/dbraw/zinc/80/15/72/642801572.db2.gz BBGLCZAWZXXKPO-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC000967421091 642801604 /nfs/dbraw/zinc/80/16/04/642801604.db2.gz HPUURAYXRAHOPT-GFCCVEGCSA-N 1 0 246.314 0.015 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000967624379 642802914 /nfs/dbraw/zinc/80/29/14/642802914.db2.gz FXTZDXCXBMIXGH-SNVBAGLBSA-N 1 0 234.303 0.410 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000968224625 642806336 /nfs/dbraw/zinc/80/63/36/642806336.db2.gz SKGRZBVCGABELH-LLVKDONJSA-N 1 0 234.303 0.329 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC000968238334 642806831 /nfs/dbraw/zinc/80/68/31/642806831.db2.gz MRMIHMWJPAIALX-SNVBAGLBSA-N 1 0 249.318 0.114 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000968223591 642806955 /nfs/dbraw/zinc/80/69/55/642806955.db2.gz KRYMZTHLSZDFRK-GFCCVEGCSA-N 1 0 248.330 0.719 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000968442285 642810386 /nfs/dbraw/zinc/81/03/86/642810386.db2.gz VYMXDOVDCSGGAP-LLVKDONJSA-N 1 0 242.282 0.324 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000968425419 642810962 /nfs/dbraw/zinc/81/09/62/642810962.db2.gz INTMDMMEXYDXMN-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)n2cncn2)C1 ZINC000968451624 642811298 /nfs/dbraw/zinc/81/12/98/642811298.db2.gz VVWVHTFBBBFQJK-WDEREUQCSA-N 1 0 249.318 0.216 20 30 BCEDRO CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000968410790 642811771 /nfs/dbraw/zinc/81/17/71/642811771.db2.gz PLYNXWSHVYLXJP-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC000968523003 642812258 /nfs/dbraw/zinc/81/22/58/642812258.db2.gz QCNDJXOJJWFKAS-GFCCVEGCSA-N 1 0 246.314 0.396 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC000968498714 642813210 /nfs/dbraw/zinc/81/32/10/642813210.db2.gz DXPCIHOTKINULQ-URWSZGRFSA-N 1 0 243.310 0.852 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC000968498713 642813449 /nfs/dbraw/zinc/81/34/49/642813449.db2.gz DXPCIHOTKINULQ-CFHLNLSMSA-N 1 0 243.310 0.852 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC000968550738 642815261 /nfs/dbraw/zinc/81/52/61/642815261.db2.gz NBJZSTUVFSBPIV-LLVKDONJSA-N 1 0 231.299 0.760 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001006797547 642825962 /nfs/dbraw/zinc/82/59/62/642825962.db2.gz MPIIVVISLLZPDW-NSHDSACASA-N 1 0 246.314 0.627 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001008151060 642829282 /nfs/dbraw/zinc/82/92/82/642829282.db2.gz XQFPQOFGGUAWSD-SNVBAGLBSA-N 1 0 249.318 0.493 20 30 BCEDRO C=C(C)CC[N@@H+]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC001008371853 642831348 /nfs/dbraw/zinc/83/13/48/642831348.db2.gz NHRTZMCLVHFPRE-JTQLQIEISA-N 1 0 239.319 0.019 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010040397 642849843 /nfs/dbraw/zinc/84/98/43/642849843.db2.gz YHNNNQWGUWSOPV-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001009969335 642850411 /nfs/dbraw/zinc/85/04/11/642850411.db2.gz CDPKTXXWOWXDDF-VIFPVBQESA-N 1 0 248.286 0.172 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001010112311 642851408 /nfs/dbraw/zinc/85/14/08/642851408.db2.gz BQXGDVGCODVKFI-LBPRGKRZSA-N 1 0 248.330 0.800 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001010171186 642851538 /nfs/dbraw/zinc/85/15/38/642851538.db2.gz QVIIGHLLHAFIAN-NSHDSACASA-N 1 0 231.299 0.842 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001010211705 642854813 /nfs/dbraw/zinc/85/48/13/642854813.db2.gz HOXWUKZMDJLVCY-GFCCVEGCSA-N 1 0 246.314 0.097 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001010246623 642854929 /nfs/dbraw/zinc/85/49/29/642854929.db2.gz DFQLVCCEFZASAH-RYUDHWBXSA-N 1 0 236.315 0.379 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001010211710 642855661 /nfs/dbraw/zinc/85/56/61/642855661.db2.gz HOXWUKZMDJLVCY-LBPRGKRZSA-N 1 0 246.314 0.097 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)n2)C[C@H]1C ZINC000939307349 642863380 /nfs/dbraw/zinc/86/33/80/642863380.db2.gz NAHBNHCGWMBMTB-MWLCHTKSSA-N 1 0 249.318 0.051 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC000939336613 642864388 /nfs/dbraw/zinc/86/43/88/642864388.db2.gz BPCTWIBGMHEVSP-BDAKNGLRSA-N 1 0 235.291 0.041 20 30 BCEDRO C[NH+]=C(NCC1(CO)CCC1)NC1CC1 ZINC000181378958 642866402 /nfs/dbraw/zinc/86/64/02/642866402.db2.gz ADNQSYDSRLFZOE-UHFFFAOYSA-N 1 0 211.309 0.476 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001010565854 642869749 /nfs/dbraw/zinc/86/97/49/642869749.db2.gz HVUCJHXSPZTELW-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001010571334 642870104 /nfs/dbraw/zinc/87/01/04/642870104.db2.gz ZVJCRMNQMHHZNC-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cc2ccnn2C)C1 ZINC001010789855 642871776 /nfs/dbraw/zinc/87/17/76/642871776.db2.gz QUFWUXHVVIHUPC-NSHDSACASA-N 1 0 248.330 0.339 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001010869848 642874411 /nfs/dbraw/zinc/87/44/11/642874411.db2.gz HWXMMNLMCILSAL-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010832924 642875877 /nfs/dbraw/zinc/87/58/77/642875877.db2.gz VGHHUFJLFMYNAT-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001014373319 642887836 /nfs/dbraw/zinc/88/78/36/642887836.db2.gz ONOXZYDEVQJGRL-JTQLQIEISA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2nn(C)cc2C)C1 ZINC001014393801 642889039 /nfs/dbraw/zinc/88/90/39/642889039.db2.gz LPQFUVVWFGRTBC-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001014384912 642889373 /nfs/dbraw/zinc/88/93/73/642889373.db2.gz QYIHGUXPXANQQR-VHSXEESVSA-N 1 0 242.269 0.855 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001014374965 642889878 /nfs/dbraw/zinc/88/98/78/642889878.db2.gz JOFTTZVSAWAWKA-JTQLQIEISA-N 1 0 249.318 0.032 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cncn2C)C1 ZINC001015132414 642894589 /nfs/dbraw/zinc/89/45/89/642894589.db2.gz MVNZYODUHDMPGP-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cncn2C)C1 ZINC001015130924 642895089 /nfs/dbraw/zinc/89/50/89/642895089.db2.gz GRDSUDTVDGWIJI-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2nonc2C)C[C@H]1C ZINC000939862322 642896230 /nfs/dbraw/zinc/89/62/30/642896230.db2.gz ZWRNYBGFTDGXPV-SCZZXKLOSA-N 1 0 248.286 0.061 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC001015459318 642902017 /nfs/dbraw/zinc/90/20/17/642902017.db2.gz OIJBXYJHMWWEFG-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC001015560318 642907970 /nfs/dbraw/zinc/90/79/70/642907970.db2.gz UPSYZGWWHGJMOH-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)CC2=CCOCC2)C1 ZINC001015661411 642919577 /nfs/dbraw/zinc/91/95/77/642919577.db2.gz ZPJZIOQNQZTNFQ-ZDUSSCGKSA-N 1 0 248.326 0.547 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001015717830 642922171 /nfs/dbraw/zinc/92/21/71/642922171.db2.gz DEYPQUIETVJRSK-GFCCVEGCSA-N 1 0 248.330 0.568 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ncccn2)C1 ZINC001015886125 642933100 /nfs/dbraw/zinc/93/31/00/642933100.db2.gz XMEBOWIEMSEYNV-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843460 642933426 /nfs/dbraw/zinc/93/34/26/642933426.db2.gz ZUVRJPYJRFQRFV-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)C1 ZINC001015886443 642933659 /nfs/dbraw/zinc/93/36/59/642933659.db2.gz IYLMLTKQKWJLDC-SNVBAGLBSA-N 1 0 232.287 0.467 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001015906939 642944230 /nfs/dbraw/zinc/94/42/30/642944230.db2.gz FRHNLEWKAVGYEL-YPMHNXCESA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001018635002 643002774 /nfs/dbraw/zinc/00/27/74/643002774.db2.gz MBCLBGASMYUYPV-UWVGGRQHSA-N 1 0 207.277 0.523 20 30 BCEDRO CC#CCN1CC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001016245234 642953364 /nfs/dbraw/zinc/95/33/64/642953364.db2.gz FBKCAASEUVVEQQ-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2=COCCO2)C1 ZINC001018454798 642994175 /nfs/dbraw/zinc/99/41/75/642994175.db2.gz NINBTHLITIHXHO-JTQLQIEISA-N 1 0 238.287 0.251 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC001018482504 642994456 /nfs/dbraw/zinc/99/44/56/642994456.db2.gz IJUYZUQDEWNLJK-LBPRGKRZSA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 ZINC001018543247 642997471 /nfs/dbraw/zinc/99/74/71/642997471.db2.gz VRPJLPFTODEXEX-RYUDHWBXSA-N 1 0 246.314 0.268 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(C)c2C)C1 ZINC001018515416 642998055 /nfs/dbraw/zinc/99/80/55/642998055.db2.gz HVCSWVSVRNHIGH-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCn2cncn2)C1 ZINC001018515021 642998321 /nfs/dbraw/zinc/99/83/21/642998321.db2.gz FCFLZHBZEAYGAK-NSHDSACASA-N 1 0 249.318 0.045 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)OC)C1 ZINC001018596587 642999085 /nfs/dbraw/zinc/99/90/85/642999085.db2.gz BBGLCZAWZXXKPO-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccon2)C1 ZINC001018562268 642999480 /nfs/dbraw/zinc/99/94/80/642999480.db2.gz CNBCHFNNFRZZCM-VIFPVBQESA-N 1 0 221.260 0.665 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](CC)OC)C1 ZINC001018597167 643000821 /nfs/dbraw/zinc/00/08/21/643000821.db2.gz GKFOUACEVPRFLJ-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(C)nc2C)C1 ZINC001018631301 643002670 /nfs/dbraw/zinc/00/26/70/643002670.db2.gz XNCCOIKXSNGNSB-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccncc2F)C1 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/nfs/dbraw/zinc/69/74/25/643697425.db2.gz RGSFAYCVVHDQAZ-BXKDBHETSA-N 1 0 220.272 0.562 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)C2CC2)C1 ZINC000998329543 643698369 /nfs/dbraw/zinc/69/83/69/643698369.db2.gz TZNYSTIMDXNPEN-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)C(C)(F)F)C1 ZINC000998347783 643701798 /nfs/dbraw/zinc/70/17/98/643701798.db2.gz WEAXFJHCGCMVKD-UHFFFAOYSA-N 1 0 230.258 0.854 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cnccn2)C1 ZINC000998384114 643703091 /nfs/dbraw/zinc/70/30/91/643703091.db2.gz OJKLKJHZAFQZLB-UHFFFAOYSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000998371622 643704108 /nfs/dbraw/zinc/70/41/08/643704108.db2.gz LXXJCDUEYSJOIG-CYBMUJFWSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cn2cccn2)C1 ZINC000998458928 643706916 /nfs/dbraw/zinc/70/69/16/643706916.db2.gz RQEDRQWLGNOHEO-UHFFFAOYSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000998485982 643709070 /nfs/dbraw/zinc/70/90/70/643709070.db2.gz JGWSNSSIGSQZCJ-VXGBXAGGSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cn[nH]c2)C1 ZINC000998489994 643709470 /nfs/dbraw/zinc/70/94/70/643709470.db2.gz FWJVWXDQAMMWRR-UHFFFAOYSA-N 1 0 232.287 0.236 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cc[nH]n2)C1 ZINC000998478676 643709479 /nfs/dbraw/zinc/70/94/79/643709479.db2.gz GLDDXNIYVARIKZ-UHFFFAOYSA-N 1 0 234.303 0.788 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC000998527826 643710215 /nfs/dbraw/zinc/71/02/15/643710215.db2.gz VSKRFBQZCOWLTE-LBPRGKRZSA-N 1 0 248.330 0.650 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)Cc2cc[nH]n2)C1 ZINC000998567033 643712582 /nfs/dbraw/zinc/71/25/82/643712582.db2.gz MKYVVMVUHZNRPM-UHFFFAOYSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)SC)C1 ZINC000998594318 643714455 /nfs/dbraw/zinc/71/44/55/643714455.db2.gz USRFAPPHAYZDJB-QWRGUYRKSA-N 1 0 240.372 0.952 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000998648041 643715676 /nfs/dbraw/zinc/71/56/76/643715676.db2.gz NGTOOYWNIMDQGU-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000998618361 643716219 /nfs/dbraw/zinc/71/62/19/643716219.db2.gz AUXKSKZILKZZDG-LLVKDONJSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ccn(C)c2)C1 ZINC000998626225 643716550 /nfs/dbraw/zinc/71/65/50/643716550.db2.gz UVOJCGNYQFLNJX-UHFFFAOYSA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000998690694 643718593 /nfs/dbraw/zinc/71/85/93/643718593.db2.gz VJPOJPUXVKPEME-NWDGAFQWSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000998725102 643720220 /nfs/dbraw/zinc/72/02/20/643720220.db2.gz XZDGFDHRVSKBGD-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998725259 643720497 /nfs/dbraw/zinc/72/04/97/643720497.db2.gz VTFDYXBLEPSQER-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)C2(C)CC2)C1 ZINC000998806103 643722543 /nfs/dbraw/zinc/72/25/43/643722543.db2.gz RPLLPNXOYDUIMF-UHFFFAOYSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC000998918497 643726752 /nfs/dbraw/zinc/72/67/52/643726752.db2.gz VVPXTLQYFJCFNV-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC000998918498 643727089 /nfs/dbraw/zinc/72/70/89/643727089.db2.gz VVPXTLQYFJCFNV-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC000998915823 643727430 /nfs/dbraw/zinc/72/74/30/643727430.db2.gz MUEVIGIPHHACOZ-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cncn2C)C1 ZINC000999066955 643730374 /nfs/dbraw/zinc/73/03/74/643730374.db2.gz BZNNCMFBIZHWQR-UHFFFAOYSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000999114994 643730587 /nfs/dbraw/zinc/73/05/87/643730587.db2.gz UOYJHOOQHPHURD-UWVGGRQHSA-N 1 0 242.269 0.855 20 30 BCEDRO C=CC(C)(C)C(=O)N1CCC[C@H]([NH2+]CCO)C1 ZINC000999893432 643742159 /nfs/dbraw/zinc/74/21/59/643742159.db2.gz IRPQOFPFIKUEAT-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC000999898136 643742217 /nfs/dbraw/zinc/74/22/17/643742217.db2.gz BYSBMRBPRCFGQU-GRYCIOLGSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC000999918422 643743467 /nfs/dbraw/zinc/74/34/67/643743467.db2.gz BYSBMRBPRCFGQU-SRVKXCTJSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2conc2C)C1 ZINC001000064178 643749885 /nfs/dbraw/zinc/74/98/85/643749885.db2.gz DYXNEVSGFSALGG-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCCO2)CC1 ZINC001000418478 643781140 /nfs/dbraw/zinc/78/11/40/643781140.db2.gz KDDVKKCSGPMNHN-CYBMUJFWSA-N 1 0 248.326 0.547 20 30 BCEDRO C#CC[N@H+]1CC=C(CNC(=O)c2ccon2)CC1 ZINC001000463040 643784421 /nfs/dbraw/zinc/78/44/21/643784421.db2.gz OBZPKDPMGXQPQP-UHFFFAOYSA-N 1 0 245.282 0.670 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001000506113 643785448 /nfs/dbraw/zinc/78/54/48/643785448.db2.gz PFNSTQMKQKPWOW-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001000502281 643787100 /nfs/dbraw/zinc/78/71/00/643787100.db2.gz GAFXHTNZTLNRNG-NSHDSACASA-N 1 0 244.298 0.304 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001000555318 643791975 /nfs/dbraw/zinc/79/19/75/643791975.db2.gz AZHYVVMHFLQWKM-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001000930062 643799529 /nfs/dbraw/zinc/79/95/29/643799529.db2.gz UTLABZXPSBPOHW-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO C#CC[NH+]1CCC(CNC(=O)c2cn[nH]c2)CC1 ZINC001001223865 643804590 /nfs/dbraw/zinc/80/45/90/643804590.db2.gz AJUOJKRCQGGCSJ-UHFFFAOYSA-N 1 0 246.314 0.485 20 30 BCEDRO COc1cccc(C(C)=NNC(N)=[NH2+])c1 ZINC000252446998 643808556 /nfs/dbraw/zinc/80/85/56/643808556.db2.gz DSYOKYKTQAUSPA-UHFFFAOYSA-N 1 0 206.249 0.902 20 30 BCEDRO C[C@H](C#N)CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000921881721 643816788 /nfs/dbraw/zinc/81/67/88/643816788.db2.gz UTIUHDGLSZDQJY-RKDXNWHRSA-N 1 0 210.281 0.149 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)NCC(C)(C)C#N ZINC000921888151 643817698 /nfs/dbraw/zinc/81/76/98/643817698.db2.gz NYWJDMNVRHRYBZ-VIFPVBQESA-N 1 0 224.308 0.539 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@]2(O)C1 ZINC000921904487 643821838 /nfs/dbraw/zinc/82/18/38/643821838.db2.gz LHWRCSGDOHCSEW-JQWIXIFHSA-N 1 0 224.304 0.088 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)NCCCC#N)CC[N@@H+]1C ZINC000921905772 643823048 /nfs/dbraw/zinc/82/30/48/643823048.db2.gz HRZWUFLBJBSSIF-NXEZZACHSA-N 1 0 224.308 0.682 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000921934060 643829565 /nfs/dbraw/zinc/82/95/65/643829565.db2.gz RNYFOMGINIQKSO-GHMZBOCLSA-N 1 0 239.319 0.028 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000921980730 643837511 /nfs/dbraw/zinc/83/75/11/643837511.db2.gz NOESPTPYVWRZNT-MXWKQRLJSA-N 1 0 236.319 0.682 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921994629 643838554 /nfs/dbraw/zinc/83/85/54/643838554.db2.gz XDWISHRDTANPRE-SNVBAGLBSA-N 1 0 235.331 0.935 20 30 BCEDRO C#CCN(C(=O)OC)C1CC[NH+](C)CC1 ZINC000922027584 643849005 /nfs/dbraw/zinc/84/90/05/643849005.db2.gz YAIDIWIRLCIVNV-UHFFFAOYSA-N 1 0 210.277 0.782 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)Cn2nccn2)CC1 ZINC001002919017 643857015 /nfs/dbraw/zinc/85/70/15/643857015.db2.gz QRBGDTXXYSZPHM-UHFFFAOYSA-N 1 0 249.318 0.045 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922140991 643872186 /nfs/dbraw/zinc/87/21/86/643872186.db2.gz OCPZECJWDZHQEI-SNVBAGLBSA-N 1 0 206.245 0.261 20 30 BCEDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1csc(C#N)c1 ZINC000922181601 643895224 /nfs/dbraw/zinc/89/52/24/643895224.db2.gz VMZSPYGCVSUONS-GMSGAONNSA-N 1 0 226.301 0.451 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001016398872 643896269 /nfs/dbraw/zinc/89/62/69/643896269.db2.gz ZMCXWWVJKWCHOG-GFCCVEGCSA-N 1 0 246.314 0.097 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cnn(CCF)c1 ZINC000922218029 643907252 /nfs/dbraw/zinc/90/72/52/643907252.db2.gz ZNYQMPKNIZIMSC-GFCCVEGCSA-N 1 0 239.294 0.717 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001003817685 643949613 /nfs/dbraw/zinc/94/96/13/643949613.db2.gz OODAOIBGEZNUGP-UHFFFAOYSA-N 1 0 236.275 0.450 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922300432 643961692 /nfs/dbraw/zinc/96/16/92/643961692.db2.gz YFODNZCCNHKXES-NSHDSACASA-N 1 0 220.272 0.915 20 30 BCEDRO C#CCN(C(=O)N[C@@H](C)C[NH+](C)C)C(C)C ZINC000922479740 644002052 /nfs/dbraw/zinc/00/20/52/644002052.db2.gz ZFDYHBJPRMMTLI-NSHDSACASA-N 1 0 225.336 0.990 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000321439642 644129637 /nfs/dbraw/zinc/12/96/37/644129637.db2.gz MKTFRPHUVRRZTP-OUAUKWLOSA-N 1 0 226.320 0.570 20 30 BCEDRO CCCCNC(=[NH2+])N[C@H]1C[C@@H](O)C1(C)C ZINC000186873221 644150600 /nfs/dbraw/zinc/15/06/00/644150600.db2.gz BZFYYTNKZIAAKJ-DTWKUNHWSA-N 1 0 213.325 0.850 20 30 BCEDRO CCCCNC(=[NH2+])NCC(=O)N(C)CC ZINC000187052426 644200807 /nfs/dbraw/zinc/20/08/07/644200807.db2.gz QEYWXYRIFFCGNM-UHFFFAOYSA-N 1 0 214.313 0.169 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922992824 644218534 /nfs/dbraw/zinc/21/85/34/644218534.db2.gz SEAZLONHSYIBLL-SECBINFHSA-N 1 0 209.293 0.402 20 30 BCEDRO CCCNC(=[NH2+])NCCCCCS(C)(=O)=O ZINC000187055143 644223197 /nfs/dbraw/zinc/22/31/97/644223197.db2.gz DTPQSHXNJHOWGU-UHFFFAOYSA-N 1 0 249.380 0.516 20 30 BCEDRO CSC1(CNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000193261603 644226954 /nfs/dbraw/zinc/22/69/54/644226954.db2.gz PQDWJAGFIPZTNI-SECBINFHSA-N 1 0 243.376 0.965 20 30 BCEDRO C=C[C@@H](C)NC(=O)NCC1([NH+](C)C)CC1 ZINC000923004704 644229637 /nfs/dbraw/zinc/22/96/37/644229637.db2.gz GLQZEMDTZKQFSD-SECBINFHSA-N 1 0 211.309 0.954 20 30 BCEDRO CCCNC(=[NH2+])NCCCOC(F)F ZINC000193284110 644231731 /nfs/dbraw/zinc/23/17/31/644231731.db2.gz MFNCWBSAAFIXBJ-UHFFFAOYSA-N 1 0 209.240 0.930 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NCC1([NH+](C)C)CC1 ZINC000923086227 644262472 /nfs/dbraw/zinc/26/24/72/644262472.db2.gz INCBNIYIZNWBNX-SECBINFHSA-N 1 0 227.308 0.886 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000923221597 644290401 /nfs/dbraw/zinc/29/04/01/644290401.db2.gz HGNIJWWIUCREFC-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO C=CCCNC(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000923222886 644291805 /nfs/dbraw/zinc/29/18/05/644291805.db2.gz RHTDDMCYLNGNJW-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO CO[C@@H](C)C(N)=NOCC[NH+]1CCCCC1 ZINC000194402479 644317275 /nfs/dbraw/zinc/31/72/75/644317275.db2.gz FFLBLCVSCXEOIX-JTQLQIEISA-N 1 0 229.324 0.796 20 30 BCEDRO C=CCC[C@H](O)CN1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000923299029 644326769 /nfs/dbraw/zinc/32/67/69/644326769.db2.gz WIXXVQWUEXPTQY-SRVKXCTJSA-N 1 0 228.336 0.362 20 30 BCEDRO C=CCC[C@@H](O)CN1CCC[C@@H]1C[NH2+]C ZINC000923295073 644332789 /nfs/dbraw/zinc/33/27/89/644332789.db2.gz RNCZDKJYTDELSU-VXGBXAGGSA-N 1 0 212.337 0.997 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H]2OCCN[C@@H]2C1 ZINC000923384769 644396690 /nfs/dbraw/zinc/39/66/90/644396690.db2.gz MNJUUXHLBWOFDH-YNEHKIRRSA-N 1 0 240.347 0.376 20 30 BCEDRO C[NH+]=C(NC[C@]1(O)CCSC1)NC1CC1 ZINC000083053456 644398992 /nfs/dbraw/zinc/39/89/92/644398992.db2.gz ZIKOWNHSFMFXQE-SNVBAGLBSA-N 1 0 229.349 0.182 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@H](OC)C[C@@]1(C)C[NH3+] ZINC000923410805 644412563 /nfs/dbraw/zinc/41/25/63/644412563.db2.gz JQXNOEZHVCPBAP-XQQFMLRXSA-N 1 0 242.363 0.752 20 30 BCEDRO C=CCC[C@@H](O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430429 644421188 /nfs/dbraw/zinc/42/11/88/644421188.db2.gz LEQQHSGHHUFDLA-GHMZBOCLSA-N 1 0 212.337 0.983 20 30 BCEDRO N#C[C@@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923433481 644426730 /nfs/dbraw/zinc/42/67/30/644426730.db2.gz ZWRHMCVNTVSTCX-NAKRPEOUSA-N 1 0 209.293 0.073 20 30 BCEDRO C=CCNC(=O)CN1[C@H](C)C[NH2+][C@@H](C)[C@@H]1C ZINC000923444525 644429909 /nfs/dbraw/zinc/42/99/09/644429909.db2.gz TUXQMSIQRIOMGT-VWYCJHECSA-N 1 0 225.336 0.359 20 30 BCEDRO N#Cc1ccc(CN2CCC[C@]([NH3+])(CO)C2)o1 ZINC000923473886 644450990 /nfs/dbraw/zinc/45/09/90/644450990.db2.gz OYXFEGHQEGYTRQ-GFCCVEGCSA-N 1 0 235.287 0.437 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)CCF)C1 ZINC000923551986 644495694 /nfs/dbraw/zinc/49/56/94/644495694.db2.gz RUFKQUMCKBIHEE-JTQLQIEISA-N 1 0 212.268 0.560 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000923560295 644500751 /nfs/dbraw/zinc/50/07/51/644500751.db2.gz RWXBESPLCNOCJF-STQMWFEESA-N 1 0 249.358 0.152 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000923560294 644501966 /nfs/dbraw/zinc/50/19/66/644501966.db2.gz RWXBESPLCNOCJF-QWHCGFSZSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CC[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000088362455 644518650 /nfs/dbraw/zinc/51/86/50/644518650.db2.gz ADONCLVDTRDRPC-GHMZBOCLSA-N 1 0 208.305 0.904 20 30 BCEDRO CNC(=[NH2+])NCCSC(F)(F)F ZINC000195522611 644536039 /nfs/dbraw/zinc/53/60/39/644536039.db2.gz CKJABFJKIBVUNE-UHFFFAOYSA-N 1 0 201.217 0.774 20 30 BCEDRO Cc1[nH]cnc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000755813696 644620663 /nfs/dbraw/zinc/62/06/63/644620663.db2.gz GFGLPKYDGRKDQZ-NXEZZACHSA-N 1 0 246.318 0.912 20 30 BCEDRO C#CC[NH2+]CC(=O)NC[C@@H](O)c1ccccc1 ZINC000092492205 644660020 /nfs/dbraw/zinc/66/00/20/644660020.db2.gz SXIRUYQHIJCVTH-GFCCVEGCSA-N 1 0 232.283 0.059 20 30 BCEDRO C[C@@H]1CC(=NNC2=[NH+][C@@H](C)CN2)CN1C ZINC000779797796 644714877 /nfs/dbraw/zinc/71/48/77/644714877.db2.gz JZTPMZOVCZSJFB-JGVFFNPUSA-N 1 0 209.297 0.004 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(N)cc1 ZINC000779798160 644715738 /nfs/dbraw/zinc/71/57/38/644715738.db2.gz MWSZTNDDRAEIDY-QMMMGPOBSA-N 1 0 231.303 0.930 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnccc2N(C)C)N1 ZINC000779798755 644717534 /nfs/dbraw/zinc/71/75/34/644717534.db2.gz GDKTYVYLXMXVGP-VIFPVBQESA-N 1 0 246.318 0.419 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc(C#N)s2)N1 ZINC000779804573 644717779 /nfs/dbraw/zinc/71/77/79/644717779.db2.gz FQIMVPZCHGEXAV-SSDOTTSWSA-N 1 0 233.300 0.891 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000249341764 644718484 /nfs/dbraw/zinc/71/84/84/644718484.db2.gz SQZQXYORQYVZSG-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCCC[N@@H+](CCO)C1CCOCC1 ZINC000781983012 644737770 /nfs/dbraw/zinc/73/77/70/644737770.db2.gz QOGBNKSCFVDURY-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC1 ZINC000958017108 644771021 /nfs/dbraw/zinc/77/10/21/644771021.db2.gz HVOMQKAJCKSONG-GDNZZTSVSA-N 1 0 218.300 0.466 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC1 ZINC000958043298 644772157 /nfs/dbraw/zinc/77/21/57/644772157.db2.gz GBDVUAXHEJAEHR-IMRBUKKESA-N 1 0 232.327 0.856 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc[nH]1 ZINC000958216768 644781677 /nfs/dbraw/zinc/78/16/77/644781677.db2.gz MOVUGCLDJXVUAN-IAZYJMLFSA-N 1 0 229.283 0.308 20 30 BCEDRO N#CCCNC(=O)NCCCCn1ccnc1 ZINC000787357550 644783829 /nfs/dbraw/zinc/78/38/29/644783829.db2.gz LDUQZOQZUPHLGS-UHFFFAOYSA-N 1 0 235.291 0.876 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn1C ZINC000958259474 644783999 /nfs/dbraw/zinc/78/39/99/644783999.db2.gz JUFVZMCHYXOMJS-PJXYFTJBSA-N 1 0 243.310 0.318 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC000958331785 644789055 /nfs/dbraw/zinc/78/90/55/644789055.db2.gz OXFUVEKUIJJKQW-IAZYJMLFSA-N 1 0 245.282 0.358 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(C)[nH]1 ZINC000958410101 644794762 /nfs/dbraw/zinc/79/47/62/644794762.db2.gz GESQQPKMIBNGLD-IAZYJMLFSA-N 1 0 246.314 0.564 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnc(C)[nH]1 ZINC000958410754 644794846 /nfs/dbraw/zinc/79/48/46/644794846.db2.gz PFPHBESJCLVHKJ-IAZYJMLFSA-N 1 0 244.298 0.011 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ocnc1C ZINC000958495893 644800905 /nfs/dbraw/zinc/80/09/05/644800905.db2.gz NLZIPQDTUYLNHE-URLYPYJESA-N 1 0 245.282 0.276 20 30 BCEDRO CNC(NCCCOC[C@@H]1CCCO1)=[NH+]C ZINC000303254253 644812214 /nfs/dbraw/zinc/81/22/14/644812214.db2.gz DOAFDICKCLKEJT-JTQLQIEISA-N 1 0 229.324 0.367 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCO1 ZINC000303258690 644813970 /nfs/dbraw/zinc/81/39/70/644813970.db2.gz LGCZYFUXFFFXBU-BDAKNGLRSA-N 1 0 215.297 0.105 20 30 BCEDRO CNC(=[NH2+])NCc1cc(OC)c(O)c(OC)c1 ZINC000303374356 644819519 /nfs/dbraw/zinc/81/95/19/644819519.db2.gz NBMPXTNZZGJRIS-UHFFFAOYSA-N 1 0 239.275 0.444 20 30 BCEDRO C[NH+]=C(NCCN(C)CCOC)NC(C)(C)C ZINC000303470587 644826018 /nfs/dbraw/zinc/82/60/18/644826018.db2.gz IKYSSBVNTBHESK-UHFFFAOYSA-N 1 0 244.383 0.528 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC1(F)F ZINC000958800990 644828402 /nfs/dbraw/zinc/82/84/02/644828402.db2.gz NIPIPZQEZHNZHI-RGOKHQFPSA-N 1 0 240.253 0.321 20 30 BCEDRO [NH2+]=C(NCCCO)NCCc1cccs1 ZINC000303696576 644838545 /nfs/dbraw/zinc/83/85/45/644838545.db2.gz FBXSYLNMBJDFAM-UHFFFAOYSA-N 1 0 227.333 0.577 20 30 BCEDRO CC(C)OCCCNC(=[NH2+])N1CCOCC1 ZINC000303704405 644838604 /nfs/dbraw/zinc/83/86/04/644838604.db2.gz KEXXXMPAZQNGLL-UHFFFAOYSA-N 1 0 229.324 0.448 20 30 BCEDRO CC#CC(=O)N(C)C1CC[NH+](CC)CC1 ZINC000801147728 644838865 /nfs/dbraw/zinc/83/88/65/644838865.db2.gz CJERWRSDBBYAFO-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO CCOCCNC(=[NH2+])NCCC(C)C ZINC000303769791 644844941 /nfs/dbraw/zinc/84/49/41/644844941.db2.gz BDRXNQUVOPVJIP-UHFFFAOYSA-N 1 0 201.314 0.973 20 30 BCEDRO CCNC(=[NH2+])NCCCOC[C@H]1CCCO1 ZINC000303778911 644846498 /nfs/dbraw/zinc/84/64/98/644846498.db2.gz KBSVWCXZXQCYOG-SNVBAGLBSA-N 1 0 229.324 0.496 20 30 BCEDRO CCCNC(=[NH2+])NCCC(=O)OC(C)C ZINC000303786547 644846967 /nfs/dbraw/zinc/84/69/67/644846967.db2.gz RNQNATFLWNMBNT-UHFFFAOYSA-N 1 0 215.297 0.642 20 30 BCEDRO C[C@@H](C#N)OCC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000801926468 644847064 /nfs/dbraw/zinc/84/70/64/644847064.db2.gz RBJLPTJJPLSFEO-JTQLQIEISA-N 1 0 249.318 0.913 20 30 BCEDRO CCCCCCNC(=[NH2+])NCC(=O)NCCC ZINC000303787855 644847038 /nfs/dbraw/zinc/84/70/38/644847038.db2.gz SZICUMOUZRVDOG-UHFFFAOYSA-N 1 0 242.367 0.997 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@H](C)Cn1cccn1 ZINC000303863662 644851602 /nfs/dbraw/zinc/85/16/02/644851602.db2.gz ALHKNWCFAAPULC-JTQLQIEISA-N 1 0 223.324 0.832 20 30 BCEDRO [NH2+]=C(NC[C@H]1Cc2ccccc21)N1CCOCC1 ZINC000303865913 644851748 /nfs/dbraw/zinc/85/17/48/644851748.db2.gz BXESDYPRFPJBMX-GFCCVEGCSA-N 1 0 245.326 0.973 20 30 BCEDRO COC(=O)c1cc(C=NNC(N)=[NH2+])oc1C ZINC000252453182 644852307 /nfs/dbraw/zinc/85/23/07/644852307.db2.gz CECCORDCSQTTHU-UHFFFAOYSA-N 1 0 224.220 0.192 20 30 BCEDRO COC(=O)CCCC[NH+]=C(N(C)C)N(C)C ZINC000303875785 644852825 /nfs/dbraw/zinc/85/28/25/644852825.db2.gz HSSFPGWXDPKPAL-UHFFFAOYSA-N 1 0 229.324 0.809 20 30 BCEDRO NC(=[NH2+])NN=Cc1csc([N+](=O)[O-])c1 ZINC000252453611 644852890 /nfs/dbraw/zinc/85/28/90/644852890.db2.gz PDFSPCSUTIKOOO-UHFFFAOYSA-N 1 0 213.222 0.473 20 30 BCEDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCCc1ccccn1 ZINC000303896295 644855698 /nfs/dbraw/zinc/85/56/98/644855698.db2.gz UJJLIJDZYJOGAF-KOLCDFICSA-N 1 0 218.304 0.937 20 30 BCEDRO CCOCCCNC(=[NH2+])NC[C@@H](C)C(=O)OC ZINC000303971078 644861265 /nfs/dbraw/zinc/86/12/65/644861265.db2.gz DCWGAMFGAAGLHM-SECBINFHSA-N 1 0 245.323 0.126 20 30 BCEDRO COCCCCCNC(=[NH2+])N1CCOCC1 ZINC000303968977 644861541 /nfs/dbraw/zinc/86/15/41/644861541.db2.gz BFROGXRATNOQDR-UHFFFAOYSA-N 1 0 229.324 0.450 20 30 BCEDRO [NH2+]=C(NCCc1cccc(O)c1)N1CCOCC1 ZINC000303970763 644861600 /nfs/dbraw/zinc/86/16/00/644861600.db2.gz CVDWXPOUPQGWTF-UHFFFAOYSA-N 1 0 249.314 0.582 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](O)COCC1CC1 ZINC000303975521 644861835 /nfs/dbraw/zinc/86/18/35/644861835.db2.gz JDDIFKZFPNRACE-LLVKDONJSA-N 1 0 241.335 0.254 20 30 BCEDRO COCCN(C)CCNC(=[NH2+])NCC1CCC1 ZINC000303977973 644863304 /nfs/dbraw/zinc/86/33/04/644863304.db2.gz LUPKFOKHEBTCGZ-UHFFFAOYSA-N 1 0 242.367 0.269 20 30 BCEDRO CCCCNC(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000303990508 644863783 /nfs/dbraw/zinc/86/37/83/644863783.db2.gz YTLAQJMGDPGXGK-UHFFFAOYSA-N 1 0 242.367 0.853 20 30 BCEDRO Cc1cccc2nc(CNC(N)=[NH2+])cn21 ZINC000303981605 644863909 /nfs/dbraw/zinc/86/39/09/644863909.db2.gz FWTUEEKRLZTWFC-UHFFFAOYSA-N 1 0 203.249 0.416 20 30 BCEDRO CCCCNC(=[NH2+])NC[C@@H](C)C(=O)OC ZINC000303980074 644864020 /nfs/dbraw/zinc/86/40/20/644864020.db2.gz NUFLWBRVRXXUQR-MRVPVSSYSA-N 1 0 215.297 0.500 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CCCCN2)CC1 ZINC000808097451 644872496 /nfs/dbraw/zinc/87/24/96/644872496.db2.gz FZKJYYJSSFQUMR-UHFFFAOYSA-N 1 0 235.331 0.459 20 30 BCEDRO CNC(=O)[C@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000304218960 644877286 /nfs/dbraw/zinc/87/72/86/644877286.db2.gz GYBBWDVPDVKISD-VHSXEESVSA-N 1 0 225.292 0.125 20 30 BCEDRO CC(C)[NH+]1CCN(CCO[C@@H](C)C#N)CC1 ZINC000304208980 644877441 /nfs/dbraw/zinc/87/74/41/644877441.db2.gz DOMWBMLJBXBNOC-LBPRGKRZSA-N 1 0 225.336 0.941 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)CCO[C@@H](C)C#N ZINC000304254590 644882328 /nfs/dbraw/zinc/88/23/28/644882328.db2.gz RSIJVCMEGWSIKN-ZJUUUORDSA-N 1 0 227.308 0.229 20 30 BCEDRO CNC(=[NH2+])NCCCOc1cccc(OC)c1 ZINC000304262535 644883687 /nfs/dbraw/zinc/88/36/87/644883687.db2.gz GCEVGMZMUJXBSX-UHFFFAOYSA-N 1 0 237.303 0.998 20 30 BCEDRO CC(C)(C)OC(=O)CCNC(=[NH2+])NC1CC1 ZINC000304349408 644895599 /nfs/dbraw/zinc/89/55/99/644895599.db2.gz VEWLPPFMFWJPHM-UHFFFAOYSA-N 1 0 227.308 0.785 20 30 BCEDRO CCOCCCNC(=[NH2+])NCc1noc(C)n1 ZINC000304470682 644908404 /nfs/dbraw/zinc/90/84/04/644908404.db2.gz DFJQNMPANIKNTO-UHFFFAOYSA-N 1 0 241.295 0.209 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCC2(CO)CC2)C1 ZINC000304486344 644912215 /nfs/dbraw/zinc/91/22/15/644912215.db2.gz KDOLNSIFVPVOLB-JTQLQIEISA-N 1 0 225.336 0.806 20 30 BCEDRO CC(C)CCNC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000304510185 644912241 /nfs/dbraw/zinc/91/22/41/644912241.db2.gz SMUOOTDAXJVHQP-NSHDSACASA-N 1 0 245.392 0.805 20 30 BCEDRO CCCNC(=[NH2+])NCCOc1cccnc1 ZINC000304739234 644927276 /nfs/dbraw/zinc/92/72/76/644927276.db2.gz BDTVGEHIAVVJAS-UHFFFAOYSA-N 1 0 222.292 0.775 20 30 BCEDRO CC(C)NC(=[NH2+])NCCCOC[C@@H]1CCOC1 ZINC000304752155 644928761 /nfs/dbraw/zinc/92/87/61/644928761.db2.gz JXUAQYUNCIOAEH-NSHDSACASA-N 1 0 243.351 0.742 20 30 BCEDRO CC(C)NC(=[NH2+])NCCS(=O)(=O)C(C)(C)C ZINC000304760703 644931175 /nfs/dbraw/zinc/93/11/75/644931175.db2.gz SVRCHTPDYNQKAV-UHFFFAOYSA-N 1 0 249.380 0.512 20 30 BCEDRO CC1(CNC(=[NH2+])N2CCCCC2)COC1 ZINC000304757481 644931251 /nfs/dbraw/zinc/93/12/51/644931251.db2.gz OYEIPKULWGTDJV-UHFFFAOYSA-N 1 0 211.309 0.824 20 30 BCEDRO CCCNC(=[NH2+])NCCCOC1CCOCC1 ZINC000304789862 644932531 /nfs/dbraw/zinc/93/25/31/644932531.db2.gz JWLGYILIJVSAEL-UHFFFAOYSA-N 1 0 243.351 0.886 20 30 BCEDRO C[C@@H]1CN(CC(=O)NCCC#N)C[C@H](C)[N@H+]1C ZINC000815180037 644951656 /nfs/dbraw/zinc/95/16/56/644951656.db2.gz ZITCGWFXYPVALE-PHIMTYICSA-N 1 0 238.335 0.041 20 30 BCEDRO C=C(Cl)C[N@H+]1CC[C@@H](C(=O)NC)C1 ZINC000817283983 644970098 /nfs/dbraw/zinc/97/00/98/644970098.db2.gz GKSRHRFKNJQFKF-MRVPVSSYSA-N 1 0 202.685 0.807 20 30 BCEDRO CC[C@H](O)C[NH2+]Cc1ccc(C#N)cn1 ZINC000819313066 645010866 /nfs/dbraw/zinc/01/08/66/645010866.db2.gz XIMAMCMSMHCFCX-NSHDSACASA-N 1 0 205.261 0.814 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827321706 645078229 /nfs/dbraw/zinc/07/82/29/645078229.db2.gz WFBTZKXGXIUTKM-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO C#CC1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000830316103 645118969 /nfs/dbraw/zinc/11/89/69/645118969.db2.gz DOHASTGBJWAGFF-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CC1CC[NH+](C[C@@H]2CCS(=O)(=O)C2)CC1 ZINC000830345510 645120556 /nfs/dbraw/zinc/12/05/56/645120556.db2.gz GISDXCHTENFDHH-LBPRGKRZSA-N 1 0 241.356 0.766 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CC(C)(C)O ZINC000836807825 645176914 /nfs/dbraw/zinc/17/69/14/645176914.db2.gz NKRIMGYPGBKFCM-JTQLQIEISA-N 1 0 228.336 0.770 20 30 BCEDRO C#CCNC(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841506312 645217818 /nfs/dbraw/zinc/21/78/18/645217818.db2.gz PVXZZKXLUGDDNC-UHFFFAOYSA-N 1 0 231.299 0.620 20 30 BCEDRO C=C(C)CC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000926517774 645249005 /nfs/dbraw/zinc/24/90/05/645249005.db2.gz FIZVPSUTPXXRPZ-NSHDSACASA-N 1 0 238.331 0.837 20 30 BCEDRO C#CCCC[N@@H+]1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC000844419728 645329540 /nfs/dbraw/zinc/32/95/40/645329540.db2.gz DOQFAEJLNWLWBW-QWRGUYRKSA-N 1 0 225.288 0.662 20 30 BCEDRO C=CCC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000926684639 645354181 /nfs/dbraw/zinc/35/41/81/645354181.db2.gz HMAARWIARSXBAX-JTQLQIEISA-N 1 0 224.304 0.447 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCC(=O)N(C)OC ZINC000846979929 645411582 /nfs/dbraw/zinc/41/15/82/645411582.db2.gz DJPIYLKGJPPTDP-SECBINFHSA-N 1 0 213.281 0.678 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)COCC)C1 ZINC000847028056 645420368 /nfs/dbraw/zinc/42/03/68/645420368.db2.gz XGTKHZDTRMNQCD-RYUDHWBXSA-N 1 0 211.305 0.729 20 30 BCEDRO CC[C@@H]1COC[C@H]1[NH+]1CCN(CCC#N)CC1 ZINC000926807240 645438935 /nfs/dbraw/zinc/43/89/35/645438935.db2.gz KBMMKZLPAXQNSQ-CHWSQXEVSA-N 1 0 237.347 0.943 20 30 BCEDRO C[C@@H]1OC[C@H]([NH+]2CCN(CCC#N)CC2)[C@@H]1C ZINC000926808440 645439334 /nfs/dbraw/zinc/43/93/34/645439334.db2.gz QHOPEVOGSVSYFR-AGIUHOORSA-N 1 0 237.347 0.941 20 30 BCEDRO CC[C@H]1COC[C@@H]1[NH+]1CCN(CCC#N)CC1 ZINC000926807243 645439550 /nfs/dbraw/zinc/43/95/50/645439550.db2.gz KBMMKZLPAXQNSQ-STQMWFEESA-N 1 0 237.347 0.943 20 30 BCEDRO C=C(C)CNC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000926841115 645451844 /nfs/dbraw/zinc/45/18/44/645451844.db2.gz JXIOTHBCDUWQPV-LLVKDONJSA-N 1 0 243.351 0.828 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C1CCN(OC)CC1 ZINC000926862464 645460426 /nfs/dbraw/zinc/46/04/26/645460426.db2.gz HAISYZHZRPQUSC-LBPRGKRZSA-N 1 0 228.336 0.929 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](COC)OC)C1 ZINC000852216238 645475548 /nfs/dbraw/zinc/47/55/48/645475548.db2.gz WXBKCXJUKCJUNN-VXGBXAGGSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C)[C@@H](C)C2)C1=O ZINC000927503223 645630726 /nfs/dbraw/zinc/63/07/26/645630726.db2.gz RUILQSJORSVZER-AXFHLTTASA-N 1 0 249.314 0.413 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)n1ncc(C#N)c1N ZINC000869368559 645740840 /nfs/dbraw/zinc/74/08/40/645740840.db2.gz MBGXWXINPJTETP-UHFFFAOYSA-N 1 0 219.248 0.095 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928436924 645755812 /nfs/dbraw/zinc/75/58/12/645755812.db2.gz WINCNBCFYMCXSH-KKZNHRDASA-N 1 0 212.293 0.132 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928437561 645757927 /nfs/dbraw/zinc/75/79/27/645757927.db2.gz XHOFMLJLNHQXFJ-MXWKQRLJSA-N 1 0 224.304 0.234 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928442312 645767384 /nfs/dbraw/zinc/76/73/84/645767384.db2.gz AZLMSZRHUJBYBY-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928442702 645770133 /nfs/dbraw/zinc/77/01/33/645770133.db2.gz RRXLOJRAOYIVBP-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCC(C)(C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928558384 645817683 /nfs/dbraw/zinc/81/76/83/645817683.db2.gz KTPUWYBCLJWDPX-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)C(F)F)C[C@@H]1C ZINC000946946563 645830651 /nfs/dbraw/zinc/83/06/51/645830651.db2.gz OFAVLIFRGAQMND-IUCAKERBSA-N 1 0 230.258 0.854 20 30 BCEDRO C#CCC1(O)CC[NH+](CCCCCO)CC1 ZINC000880479201 645832449 /nfs/dbraw/zinc/83/24/49/645832449.db2.gz MDSFNCQTVSFAES-UHFFFAOYSA-N 1 0 225.332 0.999 20 30 BCEDRO C#CCC1(O)CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC000880479693 645832676 /nfs/dbraw/zinc/83/26/76/645832676.db2.gz UGEHSOFLDDEIEM-JTQLQIEISA-N 1 0 224.304 0.101 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1C ZINC000928573472 645833653 /nfs/dbraw/zinc/83/36/53/645833653.db2.gz OTESRVMSPROTFF-IJLUTSLNSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(OCC)n1 ZINC000883123857 645847782 /nfs/dbraw/zinc/84/77/82/645847782.db2.gz MYLKSTUYNHUAKB-LBPRGKRZSA-N 1 0 234.299 0.954 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C1CCN(C(=O)OC)CC1 ZINC000883124140 645848336 /nfs/dbraw/zinc/84/83/36/645848336.db2.gz XMSADNXQADVOJQ-LLVKDONJSA-N 1 0 240.303 0.191 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000883123817 645848847 /nfs/dbraw/zinc/84/88/47/645848847.db2.gz LXPOLPYGNDTJMI-NSHDSACASA-N 1 0 244.298 0.442 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(F)nc1 ZINC000883124292 645849790 /nfs/dbraw/zinc/84/97/90/645849790.db2.gz CKYHLRSZZWKKQI-SNVBAGLBSA-N 1 0 208.236 0.695 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CC(C)=NO2)CC1 ZINC000928651025 645852943 /nfs/dbraw/zinc/85/29/43/645852943.db2.gz KIHCJDZLTNKMDC-GFCCVEGCSA-N 1 0 249.314 0.365 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2ccsn2)CC1 ZINC000928651630 645852984 /nfs/dbraw/zinc/85/29/84/645852984.db2.gz XXNYEELEIGTPBN-UHFFFAOYSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCC=CO2)CC1 ZINC000928653867 645853670 /nfs/dbraw/zinc/85/36/70/645853670.db2.gz DDDLSSNIXYYCBJ-ZDUSSCGKSA-N 1 0 248.326 0.893 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)CCCCO)CC1 ZINC000928654041 645853822 /nfs/dbraw/zinc/85/38/22/645853822.db2.gz LBHCEOTYZYUFIZ-UHFFFAOYSA-N 1 0 238.331 0.363 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NCCC#N)c1cccnc1 ZINC000035125523 645955708 /nfs/dbraw/zinc/95/57/08/645955708.db2.gz PPJJOZHKIFIDSS-SNVBAGLBSA-N 1 0 232.287 0.762 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(C(N)=O)CC1 ZINC000929213972 646013002 /nfs/dbraw/zinc/01/30/02/646013002.db2.gz FBKAPDROFIDCNG-SNVBAGLBSA-N 1 0 212.293 0.121 20 30 BCEDRO C=C(C)C[N@H+](CC)CC1CN(S(C)(=O)=O)C1 ZINC000929216564 646015591 /nfs/dbraw/zinc/01/55/91/646015591.db2.gz DTGDWPBVSHJTDF-UHFFFAOYSA-N 1 0 246.376 0.776 20 30 BCEDRO CC[N@H+](C[C@H](O)CC#N)C[C@H]1CCOC1 ZINC000929286883 646061506 /nfs/dbraw/zinc/06/15/06/646061506.db2.gz JKELWUFZGYKQIT-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO N#Cc1ccc(C[N@@H+](C[C@@H](O)CO)C2CC2)cc1 ZINC000929367998 646101441 /nfs/dbraw/zinc/10/14/41/646101441.db2.gz UBCYTKLGKKNNEF-CQSZACIVSA-N 1 0 246.310 0.876 20 30 BCEDRO N#CC1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1 ZINC000929416678 646111541 /nfs/dbraw/zinc/11/15/41/646111541.db2.gz RSHQJKRBACFEOL-LBPRGKRZSA-N 1 0 238.331 0.888 20 30 BCEDRO N#CC[C@@H](O)C[NH+]1CCC(c2cn[nH]c2)CC1 ZINC000929448799 646122636 /nfs/dbraw/zinc/12/26/36/646122636.db2.gz JLDUNAKATTUAHC-GFCCVEGCSA-N 1 0 234.303 0.864 20 30 BCEDRO C[C@H]1COC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925004602 646155440 /nfs/dbraw/zinc/15/54/40/646155440.db2.gz SGXIARLXTCGDQW-CMPLNLGQSA-N 1 0 223.320 0.599 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)[C@H](CO)c1ccccc1 ZINC000929503729 646156842 /nfs/dbraw/zinc/15/68/42/646156842.db2.gz KWCBEBAEBXHLBP-CHWSQXEVSA-N 1 0 234.299 0.926 20 30 BCEDRO Cc1cc(C#N)cc(C)c1C[NH+](CCO)CCO ZINC000929514782 646165910 /nfs/dbraw/zinc/16/59/10/646165910.db2.gz YLUWJGYLWCJYSN-UHFFFAOYSA-N 1 0 248.326 0.962 20 30 BCEDRO C=C(C)C[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000925196919 646206576 /nfs/dbraw/zinc/20/65/76/646206576.db2.gz POGTZXCXICSAGE-UWVGGRQHSA-N 1 0 237.303 0.577 20 30 BCEDRO COC(=O)CC[N@H+](C[C@H](O)CC#N)C(C)C ZINC000929635856 646212630 /nfs/dbraw/zinc/21/26/30/646212630.db2.gz QLAAQLBHYAXZKE-SNVBAGLBSA-N 1 0 228.292 0.534 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925323287 646241270 /nfs/dbraw/zinc/24/12/70/646241270.db2.gz CPEILSZSNQNODE-UWVGGRQHSA-N 1 0 209.293 0.402 20 30 BCEDRO C[C@H]1CSCC[N@@H+]1C[C@H](O)CC#N ZINC000929688251 646241974 /nfs/dbraw/zinc/24/19/74/646241974.db2.gz KAVGBHKMYOZTCI-DTWKUNHWSA-N 1 0 200.307 0.698 20 30 BCEDRO C#CCN(C(=O)NC[C@@H]1CC[N@@H+]1C)C(C)C ZINC000925430699 646278014 /nfs/dbraw/zinc/27/80/14/646278014.db2.gz BFIOUXKRRNLMIS-NSHDSACASA-N 1 0 223.320 0.744 20 30 BCEDRO C#CC1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)CC1 ZINC000925430965 646278594 /nfs/dbraw/zinc/27/85/94/646278594.db2.gz RJSMQUREHWKYDQ-LBPRGKRZSA-N 1 0 235.331 0.745 20 30 BCEDRO C=CC[C@@H](C)[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000925433596 646282947 /nfs/dbraw/zinc/28/29/47/646282947.db2.gz ZHRVNNMWWNIXJO-MNOVXSKESA-N 1 0 238.331 0.836 20 30 BCEDRO C#CCSCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000925456215 646283595 /nfs/dbraw/zinc/28/35/95/646283595.db2.gz UANJPNXVTMLTSW-VIFPVBQESA-N 1 0 226.345 0.467 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000929755189 646286603 /nfs/dbraw/zinc/28/66/03/646286603.db2.gz LOTRSTLTXSRFQX-GFCCVEGCSA-N 1 0 249.314 0.075 20 30 BCEDRO CN(CCC#N)C[C@@H]1CCC2(COC2)O1 ZINC000929808594 646330394 /nfs/dbraw/zinc/33/03/94/646330394.db2.gz IOILRJJUUZBLQF-JTQLQIEISA-N 1 0 210.277 0.780 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000929825426 646341941 /nfs/dbraw/zinc/34/19/41/646341941.db2.gz LOMGWDISPZXUCY-TUAOUCFPSA-N 1 0 224.304 0.762 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000929851609 646360353 /nfs/dbraw/zinc/36/03/53/646360353.db2.gz JMJDXHRCIREPLS-GFCCVEGCSA-N 1 0 241.331 0.805 20 30 BCEDRO C=CCCOCCN[C@H]1C[NH2+]CCOC1 ZINC000925627417 646373435 /nfs/dbraw/zinc/37/34/35/646373435.db2.gz YIKAASCJVBEQIH-NSHDSACASA-N 1 0 214.309 0.157 20 30 BCEDRO N#Cc1cncc(C[NH2+]C2(C(N)=O)CCCC2)c1 ZINC000930001556 646389570 /nfs/dbraw/zinc/38/95/70/646389570.db2.gz UZSORUWWUIRFLM-UHFFFAOYSA-N 1 0 244.298 0.841 20 30 BCEDRO CC(C)(CCC#N)C[NH2+][C@@H]1CNCCOC1 ZINC000925671741 646400723 /nfs/dbraw/zinc/40/07/23/646400723.db2.gz FJWCLIXWGRYCTL-LLVKDONJSA-N 1 0 225.336 0.894 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925682353 646409740 /nfs/dbraw/zinc/40/97/40/646409740.db2.gz BDXDUQOBZHQILN-ISCIKXKRSA-N 1 0 234.343 0.916 20 30 BCEDRO CC(C)(O)[C@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000930060116 646413831 /nfs/dbraw/zinc/41/38/31/646413831.db2.gz CMJCMELUGIQDTR-NXEZZACHSA-N 1 0 212.293 0.496 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cnnn1C ZINC000925698654 646423314 /nfs/dbraw/zinc/42/33/14/646423314.db2.gz SYUOOGUZFOQLCC-UWVGGRQHSA-N 1 0 224.308 0.650 20 30 BCEDRO N#C[C@@H]1CC[C@H](N[C@@H]2C[NH2+]CCOC2)C1 ZINC000925703456 646427521 /nfs/dbraw/zinc/42/75/21/646427521.db2.gz FZHQTMYTFHONRT-OUAUKWLOSA-N 1 0 209.293 0.257 20 30 BCEDRO CC[C@@H](CO)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000930113218 646441064 /nfs/dbraw/zinc/44/10/64/646441064.db2.gz BVKUKYYLDULGHW-STQMWFEESA-N 1 0 239.363 0.923 20 30 BCEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1C[C@H](O)CC#N ZINC000930161141 646467100 /nfs/dbraw/zinc/46/71/00/646467100.db2.gz GBMFYUQKPIBMBL-GARJFASQSA-N 1 0 211.309 0.285 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1[C@H](C)COC[C@H]1C ZINC000925980206 646551119 /nfs/dbraw/zinc/55/11/19/646551119.db2.gz XDJNDMHXLBBNFF-NXEZZACHSA-N 1 0 226.320 0.549 20 30 BCEDRO C=CCOCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926115674 646576772 /nfs/dbraw/zinc/57/67/72/646576772.db2.gz MOSJPAZAAOOVFA-VIFPVBQESA-N 1 0 212.293 0.303 20 30 BCEDRO CC1(C)CNC(=O)[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000926347501 646622206 /nfs/dbraw/zinc/62/22/06/646622206.db2.gz ZDJKNPAXVNXQEG-SECBINFHSA-N 1 0 221.304 0.794 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CC3(CC3)C2)CC1 ZINC000926456351 646645284 /nfs/dbraw/zinc/64/52/84/646645284.db2.gz LWHXARWJGNYMTL-UHFFFAOYSA-N 1 0 232.327 0.954 20 30 BCEDRO C=CC[C@@H](CC)[NH2+]CCS(C)(=O)=O ZINC000393844459 711679200 /nfs/dbraw/zinc/67/92/00/711679200.db2.gz XNBCDVBCZKQMJV-SECBINFHSA-N 1 0 205.323 0.975 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000710364600 711761190 /nfs/dbraw/zinc/76/11/90/711761190.db2.gz ORISTHUDWXWJGF-SNVBAGLBSA-N 1 0 232.711 0.611 20 30 BCEDRO N#CCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000426432735 711764414 /nfs/dbraw/zinc/76/44/14/711764414.db2.gz YXXOZTGVULUQGJ-QWRGUYRKSA-N 1 0 236.319 0.826 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872214707 711789286 /nfs/dbraw/zinc/78/92/86/711789286.db2.gz BUGIFYUITPJKQP-QWRGUYRKSA-N 1 0 231.336 0.283 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](O)C1(C)C ZINC000907535416 711815856 /nfs/dbraw/zinc/81/58/56/711815856.db2.gz SPEGDIQOIFVRAL-WDEREUQCSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCC(F)(F)C(=O)NCC#CC[NH+](C)C ZINC000913522350 711824134 /nfs/dbraw/zinc/82/41/34/711824134.db2.gz FVRSHBQWPLUUAA-UHFFFAOYSA-N 1 0 230.258 0.879 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@]1(C)CCOC1 ZINC000913521106 711823939 /nfs/dbraw/zinc/82/39/39/711823939.db2.gz LEDILECZPOPZNZ-GFCCVEGCSA-N 1 0 224.304 0.094 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038094907 711840652 /nfs/dbraw/zinc/84/06/52/711840652.db2.gz IKOOGELUCGNYBW-VXGBXAGGSA-N 1 0 237.347 0.457 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)C2CCC2)C1 ZINC001032856783 711965058 /nfs/dbraw/zinc/96/50/58/711965058.db2.gz PRDLPCZKMZPKNT-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@@H](C)C[NH2+]C ZINC000707293563 712169065 /nfs/dbraw/zinc/16/90/65/712169065.db2.gz BKPWXGKSQPHNRE-JTQLQIEISA-N 1 0 242.319 0.420 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000708152041 712183509 /nfs/dbraw/zinc/18/35/09/712183509.db2.gz LDQOLDRAVCWYEC-NSHDSACASA-N 1 0 209.289 0.483 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@](C)(O)C(=O)OC)C1 ZINC000709532636 712223881 /nfs/dbraw/zinc/22/38/81/712223881.db2.gz BOQLDPHSLAEENK-CMPLNLGQSA-N 1 0 225.288 0.256 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2CN(C(=O)CC)CC[C@H]21 ZINC001036608516 712224010 /nfs/dbraw/zinc/22/40/10/712224010.db2.gz MDRZLUIIUXDWBT-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2CN(C(=O)C(F)F)CC[C@@H]21 ZINC001036611368 712225092 /nfs/dbraw/zinc/22/50/92/712225092.db2.gz CDFMIRVPDINMQY-UWVGGRQHSA-N 1 0 242.269 0.808 20 30 BCEDRO C=C[C@H](NC[C@@H]1CC[N@H+]1CC)C(=O)OC ZINC000710308989 712251107 /nfs/dbraw/zinc/25/11/07/712251107.db2.gz HPLSZTDVQXYUEA-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CCCCS(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000710325379 712252203 /nfs/dbraw/zinc/25/22/03/712252203.db2.gz AJCNSVBCLLLIHZ-LLVKDONJSA-N 1 0 246.376 0.659 20 30 BCEDRO CNC(NC[C@@H]1CCC(C)(C)CO1)=[NH+]C ZINC000711343137 712294991 /nfs/dbraw/zinc/29/49/91/712294991.db2.gz ODYLGCFGLPTHJT-VIFPVBQESA-N 1 0 213.325 0.986 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001079392350 712347861 /nfs/dbraw/zinc/34/78/61/712347861.db2.gz YQVPVPFGXGQSPF-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCCO[C@H](C(C)C)C1 ZINC000378872974 712365511 /nfs/dbraw/zinc/36/55/11/712365511.db2.gz SLOBNGPRQASLQN-LBPRGKRZSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@]1(CC)CCOC1 ZINC000378865196 712364670 /nfs/dbraw/zinc/36/46/70/712364670.db2.gz YUGMEXYYDHVMPN-LBPRGKRZSA-N 1 0 224.304 0.285 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C=C1CCC1 ZINC000379455395 712385096 /nfs/dbraw/zinc/38/50/96/712385096.db2.gz MYRRXFHHWKZGLR-UWVGGRQHSA-N 1 0 205.261 0.324 20 30 BCEDRO C#CCNC(=S)NCC[N@H+]1CCC[C@@H]1C ZINC000758260238 712408220 /nfs/dbraw/zinc/40/82/20/712408220.db2.gz VYSASTPLWIXRRO-JTQLQIEISA-N 1 0 225.361 0.568 20 30 BCEDRO N#CC1(NC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000715840362 712535292 /nfs/dbraw/zinc/53/52/92/712535292.db2.gz BQFIKIKBMLBTMT-UHFFFAOYSA-N 1 0 205.261 0.255 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715942486 712544730 /nfs/dbraw/zinc/54/47/30/712544730.db2.gz JOBVTZIPROVGFD-RKDXNWHRSA-N 1 0 210.281 0.403 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)CC(F)(F)F ZINC000716374248 712557193 /nfs/dbraw/zinc/55/71/93/712557193.db2.gz GPADATPWHUBJBJ-RKDXNWHRSA-N 1 0 239.237 0.928 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)COCC ZINC000716341287 712555346 /nfs/dbraw/zinc/55/53/46/712555346.db2.gz VPLMEUFSTMSBLM-WDEREUQCSA-N 1 0 215.293 0.012 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]CCCc1cnn(C)c1 ZINC000716375084 712557438 /nfs/dbraw/zinc/55/74/38/712557438.db2.gz NADKZUZFRAQWDY-ZDUSSCGKSA-N 1 0 235.331 0.981 20 30 BCEDRO CON=CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000809642998 712584858 /nfs/dbraw/zinc/58/48/58/712584858.db2.gz DEELXLSDFSQJRU-UHFFFAOYSA-N 1 0 239.279 0.015 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000716956181 712599905 /nfs/dbraw/zinc/59/99/05/712599905.db2.gz GYBZKANPVAHCFN-GHMZBOCLSA-N 1 0 224.304 0.283 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CN2CCOC2=S)C1 ZINC000848492961 712609744 /nfs/dbraw/zinc/60/97/44/712609744.db2.gz ICEJIZZVUSZMGX-SNVBAGLBSA-N 1 0 224.329 0.906 20 30 BCEDRO CC(=[NH+]OCC(N)=O)c1ccc(N)cc1 ZINC000379905540 712623965 /nfs/dbraw/zinc/62/39/65/712623965.db2.gz HYSPLLXWGJRHKD-UHFFFAOYSA-N 1 0 207.233 0.495 20 30 BCEDRO Cc1cnc(NCC#CC[NH+](C)C)nc1 ZINC000717691642 712665059 /nfs/dbraw/zinc/66/50/59/712665059.db2.gz YAOVSDWSXLCDCX-UHFFFAOYSA-N 1 0 204.277 0.762 20 30 BCEDRO C=CCCC(C)(C)NC(=O)[C@@H](N)C[NH+](C)C ZINC000717689693 712665124 /nfs/dbraw/zinc/66/51/24/712665124.db2.gz JUWUFWNBEKULMJ-JTQLQIEISA-N 1 0 227.352 0.736 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000717698063 712665382 /nfs/dbraw/zinc/66/53/82/712665382.db2.gz BDEPOSZKSZXFSW-DDHJBXDOSA-N 1 0 211.305 0.916 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000717794205 712678167 /nfs/dbraw/zinc/67/81/67/712678167.db2.gz NFMQVGMFHZGSNF-IJLUTSLNSA-N 1 0 211.305 0.918 20 30 BCEDRO CCNC(NCC1([S@@](C)=O)CC1)=[NH+]CC ZINC000380114492 712687799 /nfs/dbraw/zinc/68/77/99/712687799.db2.gz KFKFTGGIHIFZCN-OAHLLOKOSA-N 1 0 231.365 0.473 20 30 BCEDRO C[C@H]([NH2+]C[C@H](O)CO)c1ccc(C#N)cc1 ZINC000037749533 712754656 /nfs/dbraw/zinc/75/46/56/712754656.db2.gz WULDSIXQGQUPDN-CABZTGNLSA-N 1 0 220.272 0.562 20 30 BCEDRO C[C@H]1[C@@H](Nc2ccnc(C#N)n2)CC[N@@H+]1C ZINC000719597145 712813418 /nfs/dbraw/zinc/81/34/18/712813418.db2.gz DLMNPYIALVBBKQ-IUCAKERBSA-N 1 0 217.276 0.275 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1ccon1 ZINC000720381937 712837171 /nfs/dbraw/zinc/83/71/71/712837171.db2.gz GGAMAOQZRHFFHB-UHFFFAOYSA-N 1 0 207.277 0.719 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cc(C)on2)C1 ZINC000967974427 712897095 /nfs/dbraw/zinc/89/70/95/712897095.db2.gz GWCMQAUMMINWJM-LLVKDONJSA-N 1 0 247.298 0.349 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cc(C)on2)C1 ZINC000967975665 712897428 /nfs/dbraw/zinc/89/74/28/712897428.db2.gz OSUJXNVKYNTTQJ-LLVKDONJSA-N 1 0 249.314 0.902 20 30 BCEDRO C=C(C)CN1CC[C@H]1CNC(=O)c1cnccn1 ZINC001038020575 712898869 /nfs/dbraw/zinc/89/88/69/712898869.db2.gz JMYOKLNYWRPODD-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO CC/C=C(/C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000381499619 710648014 /nfs/dbraw/zinc/64/80/14/710648014.db2.gz CBXLDTLLKFSJKZ-QPGUZKIZSA-N 1 0 207.277 0.570 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@](C)(O)C(=O)OC ZINC000384136380 710658238 /nfs/dbraw/zinc/65/82/38/710658238.db2.gz CAPBMNXYUXMMJI-GHMZBOCLSA-N 1 0 213.277 0.302 20 30 BCEDRO C=CC[C@@H](CO)CNc1cc(C)[nH+]c(N)n1 ZINC000381595254 710659598 /nfs/dbraw/zinc/65/95/98/710659598.db2.gz FFDPQTCSJUTSCP-SECBINFHSA-N 1 0 222.292 0.216 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)COC)C1 ZINC001018377727 710665856 /nfs/dbraw/zinc/66/58/56/710665856.db2.gz VTNBSDZQRORLKZ-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC001018755123 710669530 /nfs/dbraw/zinc/66/95/30/710669530.db2.gz NBJAYAREUSTEOQ-LBPRGKRZSA-N 1 0 232.283 0.646 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2OCC)C1 ZINC001019999217 710673761 /nfs/dbraw/zinc/67/37/61/710673761.db2.gz GJKKNTCCJAKXHG-KKOKHZNYSA-N 1 0 238.331 0.834 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cnon1 ZINC001038841168 710708838 /nfs/dbraw/zinc/70/88/38/710708838.db2.gz XGUMEGOYAGCJBG-SECBINFHSA-N 1 0 236.275 0.450 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001038827644 710711361 /nfs/dbraw/zinc/71/13/61/710711361.db2.gz ZFORONHDVQQMQD-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO CCNS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000393790567 710719617 /nfs/dbraw/zinc/71/96/17/710719617.db2.gz DMZQXPUSNRMRAO-VHSXEESVSA-N 1 0 245.348 0.208 20 30 BCEDRO CCC[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000393790634 710719845 /nfs/dbraw/zinc/71/98/45/710719845.db2.gz LSPPANBBFUDXPJ-AEJSXWLSSA-N 1 0 209.293 0.650 20 30 BCEDRO C=CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COC ZINC001039315060 710725100 /nfs/dbraw/zinc/72/51/00/710725100.db2.gz YESKCVJVSZTUHV-NEPJUHHUSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CC[NH+]1CCC2(CCN(C(C)=O)C2)CC1 ZINC001040560711 710759709 /nfs/dbraw/zinc/75/97/09/710759709.db2.gz ORTYLGFVTHECAD-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO CC#CC[N@@H+]1CC[C@]2(CCN(C(C)=O)C2)C1 ZINC001040971084 710761328 /nfs/dbraw/zinc/76/13/28/710761328.db2.gz FGTRCTOWCFIRIB-ZDUSSCGKSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001041871759 710771576 /nfs/dbraw/zinc/77/15/76/710771576.db2.gz FTHQSQONCRFEDG-RYUDHWBXSA-N 1 0 236.315 0.189 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)NCCCOC ZINC000384218768 710835072 /nfs/dbraw/zinc/83/50/72/710835072.db2.gz RMWRHAIMXMTMKT-WCQYABFASA-N 1 0 240.347 0.919 20 30 BCEDRO C=CCN1CC(N(C)C(=O)C23CC[NH+](CC2)C3)C1 ZINC001044193160 710821886 /nfs/dbraw/zinc/82/18/86/710821886.db2.gz WEMYDIRWVGJEHY-UHFFFAOYSA-N 1 0 249.358 0.411 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)COC)[C@H](C)C1 ZINC001044395471 710824285 /nfs/dbraw/zinc/82/42/85/710824285.db2.gz AKCRJFMDTNXQED-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)COC)[C@@H](C)C1 ZINC001044395475 710824564 /nfs/dbraw/zinc/82/45/64/710824564.db2.gz AKCRJFMDTNXQED-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CSC)[C@@H](C)C1 ZINC001044446210 710826812 /nfs/dbraw/zinc/82/68/12/710826812.db2.gz JBMYGQLQIFTYCU-QWRGUYRKSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c2)[C@H](C)C1 ZINC001044486064 710827834 /nfs/dbraw/zinc/82/78/34/710827834.db2.gz IPEYGLIOLPMJQQ-ZYHUDNBSSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 ZINC001048692671 710885857 /nfs/dbraw/zinc/88/58/57/710885857.db2.gz HSGUYYAINURARN-PHIMTYICSA-N 1 0 244.298 0.047 20 30 BCEDRO C=CC[N@H+]1C[C@H]2CN(C(=O)c3ccon3)C[C@H]2C1 ZINC001048694813 710886848 /nfs/dbraw/zinc/88/68/48/710886848.db2.gz ZZLFVBITYJKKQM-PHIMTYICSA-N 1 0 247.298 0.864 20 30 BCEDRO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001048726246 710887362 /nfs/dbraw/zinc/88/73/62/710887362.db2.gz AWCRDKCQZFQQAX-RTXFEEFZSA-N 1 0 247.342 0.946 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCOC3)C[C@H]2C1 ZINC001048709906 710887367 /nfs/dbraw/zinc/88/73/67/710887367.db2.gz VHXWVDNPJBEHKE-UPJWGTAASA-N 1 0 248.326 0.046 20 30 BCEDRO CC(C)[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC001048725639 710887393 /nfs/dbraw/zinc/88/73/93/710887393.db2.gz UYOXWJFMWDDYIN-UTUOFQBUSA-N 1 0 235.331 0.945 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H]2CCCN(C(C)=O)[C@@H]2C1 ZINC001049943551 710904673 /nfs/dbraw/zinc/90/46/73/710904673.db2.gz VBYGWCZUUXYTNE-QWHCGFSZSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccccn2)C[C@@H]1C ZINC001054326504 710929709 /nfs/dbraw/zinc/92/97/09/710929709.db2.gz PHISVUYGENBJNM-AAEUAGOBSA-N 1 0 243.310 0.765 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C ZINC001054344168 710930610 /nfs/dbraw/zinc/93/06/10/710930610.db2.gz AXMSZRBRSNNJSE-ZYHUDNBSSA-N 1 0 244.298 0.160 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1C ZINC001054374697 710931219 /nfs/dbraw/zinc/93/12/19/710931219.db2.gz SFRKPKZDOPEFMC-CMPLNLGQSA-N 1 0 246.314 0.103 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(C)C)C[C@H]1C ZINC001054398057 710934263 /nfs/dbraw/zinc/93/42/63/710934263.db2.gz IYPZACMECJPQBK-GHMZBOCLSA-N 1 0 208.305 0.712 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1C ZINC001054439756 710934821 /nfs/dbraw/zinc/93/48/21/710934821.db2.gz QMICFZHOOSRVPR-ONGXEEELSA-N 1 0 234.303 0.646 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cscn2)C[C@H]1C ZINC001054467670 710935220 /nfs/dbraw/zinc/93/52/20/710935220.db2.gz YOQUJXTYBZRELM-NXEZZACHSA-N 1 0 249.339 0.826 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)Cc2ccon2)C[C@H]1C ZINC001054482326 710936132 /nfs/dbraw/zinc/93/61/32/710936132.db2.gz MAPVURYEGUACLH-PWSUYJOCSA-N 1 0 249.314 0.840 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cscn2)C[C@@H]1C ZINC001054467679 710936467 /nfs/dbraw/zinc/93/64/67/710936467.db2.gz YOQUJXTYBZRELM-VHSXEESVSA-N 1 0 249.339 0.826 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1C ZINC001054565322 710938575 /nfs/dbraw/zinc/93/85/75/710938575.db2.gz MLRYCHGDRREPBH-DGCLKSJQSA-N 1 0 245.326 0.708 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C ZINC001054624211 710939132 /nfs/dbraw/zinc/93/91/32/710939132.db2.gz TYQJIAGXUBDESU-GHMZBOCLSA-N 1 0 238.331 0.217 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C ZINC001054622543 710939155 /nfs/dbraw/zinc/93/91/55/710939155.db2.gz OWSYCXUGKYAGFA-QWRGUYRKSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cncnc2)C[C@@H]1C ZINC001054588819 710939286 /nfs/dbraw/zinc/93/92/86/710939286.db2.gz LJHFSBORTIKWTD-JQWIXIFHSA-N 1 0 244.298 0.160 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1C ZINC001054589000 710939436 /nfs/dbraw/zinc/93/94/36/710939436.db2.gz MHNXOIDYVYAXSR-CMPLNLGQSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001054637128 710940265 /nfs/dbraw/zinc/94/02/65/710940265.db2.gz LZRQBRBTUVFSST-YPMHNXCESA-N 1 0 230.311 0.470 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cncn2C)C[C@@H]1C ZINC001054866975 710942568 /nfs/dbraw/zinc/94/25/68/710942568.db2.gz PCWARLMNYIVGCJ-QWRGUYRKSA-N 1 0 248.330 0.656 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1C ZINC001054919252 710942684 /nfs/dbraw/zinc/94/26/84/710942684.db2.gz IHFPQALNSGQCBD-SKDRFNHKSA-N 1 0 249.289 0.837 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C ZINC001054867581 710942836 /nfs/dbraw/zinc/94/28/36/710942836.db2.gz ZJRKKUYKXCKNPM-GHMZBOCLSA-N 1 0 246.314 0.103 20 30 BCEDRO CC(C)[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C#N)CCO1 ZINC001051488615 710957638 /nfs/dbraw/zinc/95/76/38/710957638.db2.gz PDLAURQFMFBXGU-QWRGUYRKSA-N 1 0 239.319 0.371 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccon2)CC1 ZINC001052225185 710963920 /nfs/dbraw/zinc/96/39/20/710963920.db2.gz QFEDUWXBSSPTNK-LLVKDONJSA-N 1 0 247.298 0.892 20 30 BCEDRO Cc1ccsc1C=NNC1=[NH+]CCN1 ZINC000383931561 710986524 /nfs/dbraw/zinc/98/65/24/710986524.db2.gz YTGOPQGLNSHFNX-UHFFFAOYSA-N 1 0 208.290 0.939 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)CCCCO ZINC000384860588 710997769 /nfs/dbraw/zinc/99/77/69/710997769.db2.gz KAUUEFWJRLAEDX-SNVBAGLBSA-N 1 0 200.282 0.619 20 30 BCEDRO C[C@@H]1CN(CCOCCC#N)CC[N@@H+]1C ZINC000385248245 711008823 /nfs/dbraw/zinc/00/88/23/711008823.db2.gz RQVLTDKACZSDDE-LLVKDONJSA-N 1 0 211.309 0.553 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)C(C)C)CC1 ZINC000068990699 711022343 /nfs/dbraw/zinc/02/23/43/711022343.db2.gz OQEJQBGJCYAZKF-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO CCOC(=O)CCCNC1=[NH+]CCCN1C ZINC000386434164 711028898 /nfs/dbraw/zinc/02/88/98/711028898.db2.gz LTDVMSISMOVNJO-UHFFFAOYSA-N 1 0 227.308 0.611 20 30 BCEDRO CNC(NCc1ccc(CO)cc1)=[NH+]C ZINC000386440554 711029156 /nfs/dbraw/zinc/02/91/56/711029156.db2.gz MQUBHMLNBSZDSS-UHFFFAOYSA-N 1 0 207.277 0.474 20 30 BCEDRO CON=CC(=O)NCC[NH2+]C(C)(C)C ZINC000388763898 711066012 /nfs/dbraw/zinc/06/60/12/711066012.db2.gz WXNPTURTJLYSRS-UHFFFAOYSA-N 1 0 201.270 0.123 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NCCC#N)[C@H]1CCCOC1 ZINC000388925667 711070587 /nfs/dbraw/zinc/07/05/87/711070587.db2.gz BBXRYKWBHRABHI-QWRGUYRKSA-N 1 0 239.319 0.421 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000389404644 711079010 /nfs/dbraw/zinc/07/90/10/711079010.db2.gz KJWLESJLFNIJRR-OPRDCNLKSA-N 1 0 212.293 0.664 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CCCC[C@H]1C ZINC000389615782 711082291 /nfs/dbraw/zinc/08/22/91/711082291.db2.gz GLXCGAVTVZCNKV-MNOVXSKESA-N 1 0 208.305 0.904 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000390406974 711115634 /nfs/dbraw/zinc/11/56/34/711115634.db2.gz BXXHETFIKQYCBH-MNOVXSKESA-N 1 0 246.376 0.127 20 30 BCEDRO C#Cc1ccc(C[NH2+]CC(=O)NCC)cc1 ZINC000390443653 711117575 /nfs/dbraw/zinc/11/75/75/711117575.db2.gz WNRVOFFKKDMZKR-UHFFFAOYSA-N 1 0 216.284 0.894 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](C#N)C1 ZINC000390610671 711128221 /nfs/dbraw/zinc/12/82/21/711128221.db2.gz ZPCNDJPZAKNGSK-NEPJUHHUSA-N 1 0 225.336 0.535 20 30 BCEDRO CSC[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000390778931 711133903 /nfs/dbraw/zinc/13/39/03/711133903.db2.gz HRPAZPWCQJCLTN-XHNCKOQMSA-N 1 0 227.333 0.213 20 30 BCEDRO C#CC[N@H+](C)CCCNc1nccs1 ZINC000392793869 711151902 /nfs/dbraw/zinc/15/19/02/711151902.db2.gz QNJPYDHUNGZQGV-UHFFFAOYSA-N 1 0 209.318 0.932 20 30 BCEDRO CC[N@H+](CCOC)CCO[C@H](C)C#N ZINC000393678306 711169242 /nfs/dbraw/zinc/16/92/42/711169242.db2.gz LXDGTNSCCAKLPG-SNVBAGLBSA-N 1 0 200.282 0.883 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000393787947 711174442 /nfs/dbraw/zinc/17/44/42/711174442.db2.gz GLBCVZLJWVJEMI-AXFHLTTASA-N 1 0 212.293 0.930 20 30 BCEDRO C=CCOCC[NH2+]C1(C(N)=O)CCCC1 ZINC000393901872 711178594 /nfs/dbraw/zinc/17/85/94/711178594.db2.gz HFHGDAMPODFPMV-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO C=CCC[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071789529 711202566 /nfs/dbraw/zinc/20/25/66/711202566.db2.gz VFZKXNQZHKTOHQ-VHSXEESVSA-N 1 0 239.319 0.017 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)COCCOC ZINC000395167959 711203791 /nfs/dbraw/zinc/20/37/91/711203791.db2.gz XYNBEHHLBTUYAX-RYUDHWBXSA-N 1 0 229.320 0.402 20 30 BCEDRO C=CC[N@H+]1C[C@H](NC(=O)c2nnc[nH]2)CC[C@H]1C ZINC001071907483 711209113 /nfs/dbraw/zinc/20/91/13/711209113.db2.gz AAGSENRBZQIDDT-NXEZZACHSA-N 1 0 249.318 0.573 20 30 BCEDRO CCNC(NC[C@@]1(OC)CCOC1)=[NH+]CC ZINC000395585700 711212865 /nfs/dbraw/zinc/21/28/65/711212865.db2.gz XOZYQGVNAHFGGP-NSHDSACASA-N 1 0 229.324 0.367 20 30 BCEDRO CCNC(NCC(C)(C)OCCO)=[NH+]CC ZINC000395580566 711213075 /nfs/dbraw/zinc/21/30/75/711213075.db2.gz STWIDBKFZBHLOS-UHFFFAOYSA-N 1 0 231.340 0.349 20 30 BCEDRO CCNC(NCC[C@@H](O)CC)=[NH+]CC ZINC000395545056 711213082 /nfs/dbraw/zinc/21/30/82/711213082.db2.gz PKQXVXSZZCWHRA-VIFPVBQESA-N 1 0 201.314 0.722 20 30 BCEDRO CCNC(NC[C@@H](O)C(F)(F)F)=[NH+]CC ZINC000395538203 711213336 /nfs/dbraw/zinc/21/33/36/711213336.db2.gz KSRAFHYVWNBZRU-ZCFIWIBFSA-N 1 0 227.230 0.485 20 30 BCEDRO CCNC(NC[C@@](C)(O)C1CC1)=[NH+]CC ZINC000395632503 711214461 /nfs/dbraw/zinc/21/44/61/711214461.db2.gz QCINWYWJHSWAMS-LLVKDONJSA-N 1 0 213.325 0.722 20 30 BCEDRO CCNC(NC[C@@H](CC)OC)=[NH+]CC ZINC000395769181 711215499 /nfs/dbraw/zinc/21/54/99/711215499.db2.gz JKQRHSJYTZPEJU-SECBINFHSA-N 1 0 201.314 0.986 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000381355084 710626420 /nfs/dbraw/zinc/62/64/20/710626420.db2.gz CFIRFOVZHTWTRP-MNOVXSKESA-N 1 0 247.360 0.602 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnco2)[C@H](C)C1 ZINC001044696755 710829661 /nfs/dbraw/zinc/82/96/61/710829661.db2.gz IFPGMYAMNPSSIW-MNOVXSKESA-N 1 0 247.298 0.891 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)CN(C)CCOC ZINC000384207545 710832205 /nfs/dbraw/zinc/83/22/05/710832205.db2.gz NUHFTSTURGARAS-STQMWFEESA-N 1 0 242.363 0.317 20 30 BCEDRO C=CC[NH+]1CCC(C)(NC(=O)c2cn[nH]n2)CC1 ZINC001045489798 710840065 /nfs/dbraw/zinc/84/00/65/710840065.db2.gz LTGPTCFOBPJITJ-UHFFFAOYSA-N 1 0 249.318 0.575 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001045992504 710843579 /nfs/dbraw/zinc/84/35/79/710843579.db2.gz MVRVZRUVRMJRCP-CYBMUJFWSA-N 1 0 237.347 0.411 20 30 BCEDRO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046165400 710852123 /nfs/dbraw/zinc/85/21/23/710852123.db2.gz UCCIILQSVLBRCJ-ZDUSSCGKSA-N 1 0 246.314 0.627 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2cn[nH]n2)C1 ZINC001046439606 710860115 /nfs/dbraw/zinc/86/01/15/710860115.db2.gz XODRSAXSDSTJEV-NSHDSACASA-N 1 0 235.291 0.185 20 30 BCEDRO C#CCCC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903103431 710890655 /nfs/dbraw/zinc/89/06/55/710890655.db2.gz HVFIUVCYBPAWQC-RYUDHWBXSA-N 1 0 209.289 0.937 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)Cn2cccn2)C[C@@H]1C ZINC001054385603 710932760 /nfs/dbraw/zinc/93/27/60/710932760.db2.gz MMTRBXYMBQUSHG-RYUDHWBXSA-N 1 0 248.330 0.506 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1C ZINC001054415248 710933436 /nfs/dbraw/zinc/93/34/36/710933436.db2.gz NEBBACAHLCCRSL-GXSJLCMTSA-N 1 0 232.287 0.093 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C ZINC001054439752 710934710 /nfs/dbraw/zinc/93/47/10/710934710.db2.gz QMICFZHOOSRVPR-KOLCDFICSA-N 1 0 234.303 0.646 20 30 BCEDRO CNC(NCCC(=O)N1CCCCC1)=[NH+]C ZINC000385986758 711020160 /nfs/dbraw/zinc/02/01/60/711020160.db2.gz IRCFGUPVUXUVKR-UHFFFAOYSA-N 1 0 226.324 0.184 20 30 BCEDRO CNC(NCCCCn1ccnc1)=[NH+]C ZINC000385981574 711020357 /nfs/dbraw/zinc/02/03/57/711020357.db2.gz CUIYBXAMZILVOF-UHFFFAOYSA-N 1 0 209.297 0.458 20 30 BCEDRO C#Cc1ccc(C[NH2+]CCC(N)=O)cc1 ZINC000389975702 711101716 /nfs/dbraw/zinc/10/17/16/711101716.db2.gz FKQKNJRAZAFJOQ-UHFFFAOYSA-N 1 0 202.257 0.633 20 30 BCEDRO CC#CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072544577 711380262 /nfs/dbraw/zinc/38/02/62/711380262.db2.gz QHJGJXNIRUAZMF-LBPRGKRZSA-N 1 0 245.326 0.704 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@H](C)[C@H](C)[C@H]1C ZINC000399532176 711431878 /nfs/dbraw/zinc/43/18/78/711431878.db2.gz SQKOEKFJDAKSCC-GARJFASQSA-N 1 0 208.305 0.712 20 30 BCEDRO C=CC[N@@H+]1CCC2(CN(C(=O)c3nc[nH]n3)C2)C1 ZINC001073064721 711435440 /nfs/dbraw/zinc/43/54/40/711435440.db2.gz BHNQFCBIAYBCGJ-UHFFFAOYSA-N 1 0 247.302 0.139 20 30 BCEDRO C[C@@H](CC#N)[NH2+]CCCN1CCOC1=O ZINC000067406956 711451717 /nfs/dbraw/zinc/45/17/17/711451717.db2.gz PQTXIPRDRHDEEQ-VIFPVBQESA-N 1 0 211.265 0.720 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1C ZINC001074516373 711442673 /nfs/dbraw/zinc/44/26/73/711442673.db2.gz QFCHDOPMNNHBPM-SDDRHHMPSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1C ZINC001074554581 711443549 /nfs/dbraw/zinc/44/35/49/711443549.db2.gz VLCFTUUXEGCTPY-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCOC2)[C@H]1C ZINC001074554451 711443609 /nfs/dbraw/zinc/44/36/09/711443609.db2.gz KBOBCBODJAFXRE-TUAOUCFPSA-N 1 0 236.315 0.235 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cnn(C)c2)C1 ZINC000969242629 711453551 /nfs/dbraw/zinc/45/35/51/711453551.db2.gz JHIVJUZNKMYIGQ-JTQLQIEISA-N 1 0 248.330 0.656 20 30 BCEDRO CON=Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000254941079 711458985 /nfs/dbraw/zinc/45/89/85/711458985.db2.gz JDXSSDVWTZZOLH-UHFFFAOYSA-N 1 0 249.314 0.958 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cncnc1 ZINC001038187561 711477084 /nfs/dbraw/zinc/47/70/84/711477084.db2.gz ROSHUIWQDNDMQI-LBPRGKRZSA-N 1 0 246.314 0.857 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@]1(C)CO ZINC000723049270 711497864 /nfs/dbraw/zinc/49/78/64/711497864.db2.gz SUHFGUUGVKVBAT-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001021918557 711509548 /nfs/dbraw/zinc/50/95/48/711509548.db2.gz QAWNRGSSNXANPL-PHIMTYICSA-N 1 0 234.303 0.375 20 30 BCEDRO CNC(NCc1ncc(C)cc1C)=[NH+]C ZINC000723717068 711535298 /nfs/dbraw/zinc/53/52/98/711535298.db2.gz POGYYBQKTGPNOV-UHFFFAOYSA-N 1 0 206.293 0.993 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H](CC[NH3+])C1 ZINC000723712232 711535809 /nfs/dbraw/zinc/53/58/09/711535809.db2.gz OPDFTHWTLPYWJE-JTQLQIEISA-N 1 0 232.349 0.563 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723908839 711544987 /nfs/dbraw/zinc/54/49/87/711544987.db2.gz KVRSFIHSRVVYDD-GHMZBOCLSA-N 1 0 246.376 0.809 20 30 BCEDRO CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCCOC1 ZINC000723992495 711552061 /nfs/dbraw/zinc/55/20/61/711552061.db2.gz IHBRJTNNTDOSLR-WDEREUQCSA-N 1 0 239.319 0.421 20 30 BCEDRO CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1CCCOC1 ZINC000723992494 711552083 /nfs/dbraw/zinc/55/20/83/711552083.db2.gz IHBRJTNNTDOSLR-QWRGUYRKSA-N 1 0 239.319 0.421 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001038231415 711560903 /nfs/dbraw/zinc/56/09/03/711560903.db2.gz MKHOXFNMLAECRC-JTQLQIEISA-N 1 0 234.303 0.790 20 30 BCEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001038233175 711565846 /nfs/dbraw/zinc/56/58/46/711565846.db2.gz CYBHLDVJZFLUSW-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2nccc2C)C1 ZINC001022789350 711593692 /nfs/dbraw/zinc/59/36/92/711593692.db2.gz INRWUHMKLVSRGN-TXEJJXNPSA-N 1 0 246.314 0.062 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CN(C(=O)OC(C)(C)C)C1 ZINC000717570346 711604797 /nfs/dbraw/zinc/60/47/97/711604797.db2.gz IQQZXXYCULJIQC-SECBINFHSA-N 1 0 242.319 0.742 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)Cc1cncc(C#N)c1 ZINC000721539673 711620654 /nfs/dbraw/zinc/62/06/54/711620654.db2.gz CBZKIGBZKOWAQN-JTQLQIEISA-N 1 0 235.287 0.128 20 30 BCEDRO N#Cc1cncc(C[N@H+]2CC[C@@H](CO)C2)c1 ZINC000721543850 711621388 /nfs/dbraw/zinc/62/13/88/711621388.db2.gz ZCXXNXJBSYQNCD-SNVBAGLBSA-N 1 0 217.272 0.767 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000717793372 711622362 /nfs/dbraw/zinc/62/23/62/711622362.db2.gz HQAGZMSROAFVCW-GHMZBOCLSA-N 1 0 211.305 0.918 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972568128 711633365 /nfs/dbraw/zinc/63/33/65/711633365.db2.gz ONAGZDFNFZYXMO-SECBINFHSA-N 1 0 235.291 0.137 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001075472951 711646007 /nfs/dbraw/zinc/64/60/07/711646007.db2.gz BUUQIKUNBJTODT-VHSXEESVSA-N 1 0 242.269 0.808 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1 ZINC001075474238 711646572 /nfs/dbraw/zinc/64/65/72/711646572.db2.gz JJZGPKQHXCMIJJ-QWHCGFSZSA-N 1 0 232.327 0.952 20 30 BCEDRO CNC(=O)[C@H]1CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721626855 711671552 /nfs/dbraw/zinc/67/15/52/711671552.db2.gz ZBTFXFPNPOTIBH-LBPRGKRZSA-N 1 0 244.298 0.521 20 30 BCEDRO C#CCN(C)CCC[NH2+]Cc1cn(C)nc1C ZINC000328093602 711689469 /nfs/dbraw/zinc/68/94/69/711689469.db2.gz JIGLAVBNCYCJPH-UHFFFAOYSA-N 1 0 234.347 0.773 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC000395134783 711692629 /nfs/dbraw/zinc/69/26/29/711692629.db2.gz HVKTXBXKLCFHJH-KWQFWETISA-N 1 0 225.292 0.222 20 30 BCEDRO CCNC(NCCC[C@@H](C)CO)=[NH+]CC ZINC000395715776 711697051 /nfs/dbraw/zinc/69/70/51/711697051.db2.gz KWEKPZADUAXNKU-SNVBAGLBSA-N 1 0 215.341 0.970 20 30 BCEDRO C[C@@H]1CN(C(=O)NCCC#N)[C@H](C)C[NH2+]1 ZINC000334953247 711719639 /nfs/dbraw/zinc/71/96/39/711719639.db2.gz SMNFLBWATQXISF-RKDXNWHRSA-N 1 0 210.281 0.292 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001006713648 711728584 /nfs/dbraw/zinc/72/85/84/711728584.db2.gz QPISYAPPYFKBNH-GFCCVEGCSA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cnco2)C1 ZINC001027512327 711730164 /nfs/dbraw/zinc/73/01/64/711730164.db2.gz MNUPJKHWDVWJTF-NSHDSACASA-N 1 0 247.298 0.844 20 30 BCEDRO CCNC(=[NH2+])NCCC(=O)OC(C)(C)C ZINC000178569784 711760716 /nfs/dbraw/zinc/76/07/16/711760716.db2.gz NWDGNWXRLQLVCY-UHFFFAOYSA-N 1 0 215.297 0.642 20 30 BCEDRO CCCC[NH+](C)CCNC(=O)NCCC#N ZINC000426449184 711764668 /nfs/dbraw/zinc/76/46/68/711764668.db2.gz GXSQINZZBMOEJP-UHFFFAOYSA-N 1 0 226.324 0.931 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721775741 711769189 /nfs/dbraw/zinc/76/91/89/711769189.db2.gz HXGXQXOPYQBDIH-NSHDSACASA-N 1 0 211.305 0.729 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721831031 711778069 /nfs/dbraw/zinc/77/80/69/711778069.db2.gz DYTTVOZWJJXVJI-QWRGUYRKSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001038446391 711779150 /nfs/dbraw/zinc/77/91/50/711779150.db2.gz ACIZMPOCJWEILT-SECBINFHSA-N 1 0 235.291 0.185 20 30 BCEDRO CC(C)(O)[C@@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000721836065 711779674 /nfs/dbraw/zinc/77/96/74/711779674.db2.gz XPCYYJWPHHFCIT-SNVBAGLBSA-N 1 0 239.319 0.109 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3cc[nH]c3)[C@@H]2C1 ZINC001075823251 711780994 /nfs/dbraw/zinc/78/09/94/711780994.db2.gz CMGVMADBALUJHX-QWHCGFSZSA-N 1 0 243.310 0.794 20 30 BCEDRO C#Cc1ccc(C(=O)NCC[NH+]2CCCC2)cn1 ZINC000728982493 711787684 /nfs/dbraw/zinc/78/76/84/711787684.db2.gz CKJOAUKEGASCLZ-UHFFFAOYSA-N 1 0 243.310 0.889 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc[nH]n2)C1 ZINC000988165164 711792855 /nfs/dbraw/zinc/79/28/55/711792855.db2.gz JMWZDLFSMXFFMJ-UWVGGRQHSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000989313284 711798016 /nfs/dbraw/zinc/79/80/16/711798016.db2.gz JIVRNAJVEXVEAJ-KVSVUVNWSA-N 1 0 248.326 0.091 20 30 BCEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1C ZINC001038111380 711798649 /nfs/dbraw/zinc/79/86/49/711798649.db2.gz IPCQLXQEZXOAJF-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO N#CC1(CNC(=O)C2C[NH+]([C@H]3CCOC3)C2)CC1 ZINC000897635673 711798695 /nfs/dbraw/zinc/79/86/95/711798695.db2.gz GOPLVBJTVCNAJQ-NSHDSACASA-N 1 0 249.314 0.127 20 30 BCEDRO C=C(Cl)CNC(=O)C[NH2+]CCOC ZINC000158246330 711804709 /nfs/dbraw/zinc/80/47/09/711804709.db2.gz BNLCZNQVHQGWML-UHFFFAOYSA-N 1 0 206.673 0.091 20 30 BCEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076664426 711807949 /nfs/dbraw/zinc/80/79/49/711807949.db2.gz VIMLYBDBAXONGM-GHMZBOCLSA-N 1 0 224.304 0.134 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1C[NH2+]CC1(C)C ZINC000721887302 711811581 /nfs/dbraw/zinc/81/15/81/711811581.db2.gz IMEACJADPXINKT-SECBINFHSA-N 1 0 232.349 0.480 20 30 BCEDRO CC#CCN(C)C(=O)C12CC[NH+](CC1)C2 ZINC000908451546 711816794 /nfs/dbraw/zinc/81/67/94/711816794.db2.gz YZPKYBYQLYKOFD-UHFFFAOYSA-N 1 0 206.289 0.564 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCN[C@H](c2cnn(C)c2)C1 ZINC000913470508 711822510 /nfs/dbraw/zinc/82/25/10/711822510.db2.gz XYOLTOFLGMIUHR-KOLCDFICSA-N 1 0 247.302 0.053 20 30 BCEDRO C=CCCC(=O)N1CCN[C@@H](c2cnn(C)c2)C1 ZINC000913470631 711822639 /nfs/dbraw/zinc/82/26/39/711822639.db2.gz WXFITGICCOHXDS-GFCCVEGCSA-N 1 0 248.330 0.859 20 30 BCEDRO CSCCC(=O)NCC#CC[NH+](C)C ZINC000913515109 711823261 /nfs/dbraw/zinc/82/32/61/711823261.db2.gz JHGJQLROYORUCK-UHFFFAOYSA-N 1 0 214.334 0.421 20 30 BCEDRO Cc1cc(C(=O)NCC#CC[NH+](C)C)c(C)n1C ZINC000913515015 711823343 /nfs/dbraw/zinc/82/33/43/711823343.db2.gz FVXYQDJZZGLCIQ-UHFFFAOYSA-N 1 0 247.342 0.937 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cc(Cl)c[nH]1 ZINC000913515586 711823648 /nfs/dbraw/zinc/82/36/48/711823648.db2.gz DFZHXYBVCWWNAY-UHFFFAOYSA-N 1 0 239.706 0.963 20 30 BCEDRO Cc1ncc(C(=O)NCC#CC[NH+](C)C)[nH]1 ZINC000913518680 711823849 /nfs/dbraw/zinc/82/38/49/711823849.db2.gz XEYLPVQZRWLDEU-UHFFFAOYSA-N 1 0 220.276 0.013 20 30 BCEDRO Cc1cnccc1CC(=O)NCC#CC[NH+](C)C ZINC000913521048 711823889 /nfs/dbraw/zinc/82/38/89/711823889.db2.gz JGVDRCPLVCYACD-UHFFFAOYSA-N 1 0 245.326 0.614 20 30 BCEDRO CSC1(C(=O)NCC#CC[NH+](C)C)CC1 ZINC000913521146 711824032 /nfs/dbraw/zinc/82/40/32/711824032.db2.gz MPHOFNSPHKUEAF-UHFFFAOYSA-N 1 0 226.345 0.563 20 30 BCEDRO COC[C@@H](C)[C@@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913522309 711824143 /nfs/dbraw/zinc/82/41/43/711824143.db2.gz CWOXULPDFZEHTP-VXGBXAGGSA-N 1 0 240.347 0.586 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cccn1C ZINC001038056863 711824760 /nfs/dbraw/zinc/82/47/60/711824760.db2.gz DIXKNBIQFLDMEN-GFCCVEGCSA-N 1 0 245.326 0.853 20 30 BCEDRO C=C(Cl)CNC(=O)COC1(C)C[NH2+]C1 ZINC000165846924 711826554 /nfs/dbraw/zinc/82/65/54/711826554.db2.gz CPKBMCXBDAMJOV-UHFFFAOYSA-N 1 0 218.684 0.234 20 30 BCEDRO CC(C)(CO)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000916572805 711873209 /nfs/dbraw/zinc/87/32/09/711873209.db2.gz OTUOTVBEAUFHNA-GFCCVEGCSA-N 1 0 239.319 0.155 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001038590680 711890487 /nfs/dbraw/zinc/89/04/87/711890487.db2.gz BELZZUKBBULJIP-GRYCIOLGSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)C#CC2CC2)CC1 ZINC000996384251 711911684 /nfs/dbraw/zinc/91/16/84/711911684.db2.gz YCKMCUKUXGTRDU-UHFFFAOYSA-N 1 0 230.311 0.614 20 30 BCEDRO C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CC[N@@H+](C)C1 ZINC001032782252 711938283 /nfs/dbraw/zinc/93/82/83/711938283.db2.gz ZNUKHCXBDTXCBI-AVGNSLFASA-N 1 0 249.358 0.409 20 30 BCEDRO C=CCN(C1CC1)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000131773360 711946201 /nfs/dbraw/zinc/94/62/01/711946201.db2.gz LXZCXQKZUXZRJH-NSHDSACASA-N 1 0 244.360 0.719 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1C ZINC001054644885 711947084 /nfs/dbraw/zinc/94/70/84/711947084.db2.gz UUKJRMLFKUZFAC-UWVGGRQHSA-N 1 0 232.287 0.093 20 30 BCEDRO C#CCN1CC(N(C)C(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001043871056 711955810 /nfs/dbraw/zinc/95/58/10/711955810.db2.gz NVZRCBZZQLQWBY-LBPRGKRZSA-N 1 0 249.358 0.104 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCCC#N ZINC000359042573 711956345 /nfs/dbraw/zinc/95/63/45/711956345.db2.gz MSJFJYPQQXBQIB-SNVBAGLBSA-N 1 0 226.324 0.928 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cccn2)C1 ZINC001032907683 711966772 /nfs/dbraw/zinc/96/67/72/711966772.db2.gz XNMVGNYGSZEAIP-LBPRGKRZSA-N 1 0 248.330 0.602 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001032932569 711968730 /nfs/dbraw/zinc/96/87/30/711968730.db2.gz SPHAWWAGSZBGPQ-LLVKDONJSA-N 1 0 246.314 0.579 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001032944498 711968791 /nfs/dbraw/zinc/96/87/91/711968791.db2.gz YPUMARQZLOWBGO-NWDGAFQWSA-N 1 0 236.315 0.189 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001032944262 711969012 /nfs/dbraw/zinc/96/90/12/711969012.db2.gz WOUCXJJZPJRIBS-VXGBXAGGSA-N 1 0 238.331 0.742 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ccon2)C1 ZINC001032936248 711969191 /nfs/dbraw/zinc/96/91/91/711969191.db2.gz WGYGRQMLEXIBAE-LLVKDONJSA-N 1 0 247.298 0.844 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC)[C@@H](C)C1 ZINC001044391378 711971603 /nfs/dbraw/zinc/97/16/03/711971603.db2.gz TXLJEVRVXCRVJE-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001033070109 711973695 /nfs/dbraw/zinc/97/36/95/711973695.db2.gz VZTSOJGXSNQSDD-JTQLQIEISA-N 1 0 234.303 0.742 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001033063442 711973708 /nfs/dbraw/zinc/97/37/08/711973708.db2.gz BDWYIYYTRHTRKC-VHSXEESVSA-N 1 0 242.269 0.808 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001033327513 711983400 /nfs/dbraw/zinc/98/34/00/711983400.db2.gz JLVJCYHLMFFYOI-TUAOUCFPSA-N 1 0 220.316 0.808 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033337186 711984440 /nfs/dbraw/zinc/98/44/40/711984440.db2.gz HFEMUSDTWADPQP-NDBYEHHHSA-N 1 0 248.326 0.045 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccnnc2)C1 ZINC001033452640 711991902 /nfs/dbraw/zinc/99/19/02/711991902.db2.gz KDRICNNVDSSMGP-GFCCVEGCSA-N 1 0 246.314 0.809 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033516193 711999083 /nfs/dbraw/zinc/99/90/83/711999083.db2.gz RHZUEJLYHDIACA-VIFPVBQESA-N 1 0 235.291 0.137 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001033563397 712004488 /nfs/dbraw/zinc/00/44/88/712004488.db2.gz WARHXFBTGGOFPR-JTQLQIEISA-N 1 0 249.318 0.066 20 30 BCEDRO C#CCN1CC[C@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664088 712010435 /nfs/dbraw/zinc/01/04/35/712010435.db2.gz CBGBRHFVDWQKGM-ZDUSSCGKSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(CC)C(=O)C2CC2)C1 ZINC001033728241 712016010 /nfs/dbraw/zinc/01/60/10/712016010.db2.gz LEROLHCHRZIWCV-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000701673587 712026506 /nfs/dbraw/zinc/02/65/06/712026506.db2.gz OWFISOBMAJTKNM-LLVKDONJSA-N 1 0 224.304 0.235 20 30 BCEDRO C[N@@H+]1C[C@@H]2CN(c3cnc(C#N)cn3)C[C@]2(C)C1 ZINC000702404894 712050937 /nfs/dbraw/zinc/05/09/37/712050937.db2.gz HBHBHNMBNCTPQW-MFKMUULPSA-N 1 0 243.314 0.736 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000702957531 712062110 /nfs/dbraw/zinc/06/21/10/712062110.db2.gz GDJFCLXCKLWTGL-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2CNOC2)c1 ZINC000703388146 712075138 /nfs/dbraw/zinc/07/51/38/712075138.db2.gz BPAFFTPFUYHVCD-NSHDSACASA-N 1 0 203.245 0.551 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(c1ccc(C#N)nn1)C2 ZINC000703596713 712080353 /nfs/dbraw/zinc/08/03/53/712080353.db2.gz UDKSLZTYDKEWSJ-JOYOIKCWSA-N 1 0 229.287 0.394 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(c1ccnc(C#N)c1)C2 ZINC000703619472 712081465 /nfs/dbraw/zinc/08/14/65/712081465.db2.gz MVQKRBCVQBJMHL-GXFFZTMASA-N 1 0 228.299 0.999 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000703778129 712087639 /nfs/dbraw/zinc/08/76/39/712087639.db2.gz UQWWXIKOAXQUGV-MXWKQRLJSA-N 1 0 212.293 0.618 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1C[NH2+]CCOC1 ZINC000703945600 712093014 /nfs/dbraw/zinc/09/30/14/712093014.db2.gz WNRVFYLTEMXWMW-QMMMGPOBSA-N 1 0 218.684 0.091 20 30 BCEDRO N#Cc1ccc(CC(=O)N[C@@H](C[NH3+])C2CC2)cc1 ZINC000704665162 712112747 /nfs/dbraw/zinc/11/27/47/712112747.db2.gz KSZCSEHBOSLASM-ZDUSSCGKSA-N 1 0 243.310 0.954 20 30 BCEDRO N#Cc1ccc(CC(=O)N2CCC[NH2+]CC2)cc1 ZINC000704707634 712113466 /nfs/dbraw/zinc/11/34/66/712113466.db2.gz WBIMCVUAETVIGK-UHFFFAOYSA-N 1 0 243.310 0.923 20 30 BCEDRO N#Cc1cccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)c1 ZINC000705371447 712130777 /nfs/dbraw/zinc/13/07/77/712130777.db2.gz XUBIWSLAOAJRES-OKILXGFUSA-N 1 0 246.310 0.591 20 30 BCEDRO C#CC[NH+]1CC2(C1)CCN(C(=O)COC)CC2 ZINC001035624501 712137815 /nfs/dbraw/zinc/13/78/15/712137815.db2.gz DHSPCZCFKGNGDS-UHFFFAOYSA-N 1 0 236.315 0.190 20 30 BCEDRO C#CC[NH+]1CC2(C1)CCN(C(=O)CC)CC2 ZINC001035630252 712138376 /nfs/dbraw/zinc/13/83/76/712138376.db2.gz PEGFINXCKHHUGS-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C[C@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000706315071 712143168 /nfs/dbraw/zinc/14/31/68/712143168.db2.gz UYTIHEKIJCCBSC-RTXFEEFZSA-N 1 0 235.331 0.946 20 30 BCEDRO C[C@@H](C#N)C(=O)N1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000706315074 712143256 /nfs/dbraw/zinc/14/32/56/712143256.db2.gz UYTIHEKIJCCBSC-WCFLWFBJSA-N 1 0 235.331 0.946 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000706966610 712160885 /nfs/dbraw/zinc/16/08/85/712160885.db2.gz KYIFNGBZWPQLIF-MNOVXSKESA-N 1 0 221.304 0.843 20 30 BCEDRO C#CC1(O)CC[NH+](CC#CCOC)CC1 ZINC000707986352 712174640 /nfs/dbraw/zinc/17/46/40/712174640.db2.gz KKFIELFEIMNBHR-UHFFFAOYSA-N 1 0 207.273 0.096 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H](O)C(C)(C)C)CC1 ZINC000708118012 712182790 /nfs/dbraw/zinc/18/27/90/712182790.db2.gz XZZHYWCXNSGNCX-LLVKDONJSA-N 1 0 225.332 0.854 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC000708152424 712183455 /nfs/dbraw/zinc/18/34/55/712183455.db2.gz OVYPZEZWIUKQNO-LLVKDONJSA-N 1 0 211.305 0.463 20 30 BCEDRO C#CC1(O)CC[NH+](CCC(C)(C)O)CC1 ZINC000708152175 712183469 /nfs/dbraw/zinc/18/34/69/712183469.db2.gz MSPDFSYKLMAFNX-UHFFFAOYSA-N 1 0 211.305 0.608 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000708152040 712183492 /nfs/dbraw/zinc/18/34/92/712183492.db2.gz LDQOLDRAVCWYEC-LLVKDONJSA-N 1 0 209.289 0.483 20 30 BCEDRO C#CCCC[N@@H+](CC)CCS(C)(=O)=O ZINC000708470757 712195547 /nfs/dbraw/zinc/19/55/47/712195547.db2.gz VLISQIDJAKNQAQ-UHFFFAOYSA-N 1 0 217.334 0.766 20 30 BCEDRO CC(C)C[C@H](O)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000709439059 712221995 /nfs/dbraw/zinc/22/19/95/712221995.db2.gz MDNGYRUKYYJRAO-WDEREUQCSA-N 1 0 241.335 0.531 20 30 BCEDRO CC(C)C[C@H](O)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000709439058 712222180 /nfs/dbraw/zinc/22/21/80/712222180.db2.gz MDNGYRUKYYJRAO-QWRGUYRKSA-N 1 0 241.335 0.531 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC3)CC[C@H]21 ZINC001036614155 712226239 /nfs/dbraw/zinc/22/62/39/712226239.db2.gz RDSAFFDMJVPDIV-CHWSQXEVSA-N 1 0 232.327 0.952 20 30 BCEDRO C=CCCS(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000710069623 712244406 /nfs/dbraw/zinc/24/44/06/712244406.db2.gz JKAVYRVUNAQUQN-UHFFFAOYSA-N 1 0 232.349 0.575 20 30 BCEDRO C=C[C@@H](NC[C@H]1CC[N@H+]1CC)C(=O)OC ZINC000710308984 712250690 /nfs/dbraw/zinc/25/06/90/712250690.db2.gz HPLSZTDVQXYUEA-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(CC)C1 ZINC000710625717 712264173 /nfs/dbraw/zinc/26/41/73/712264173.db2.gz CNMCEULRNVJRKP-YPMHNXCESA-N 1 0 238.331 0.361 20 30 BCEDRO C=CCCS(=O)(=O)N(C)C[C@H](C)[NH3+] ZINC000711039959 712275593 /nfs/dbraw/zinc/27/55/93/712275593.db2.gz HLDCPDDRZSAIAU-QMMMGPOBSA-N 1 0 206.311 0.171 20 30 BCEDRO C#CCCS(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000711065848 712278048 /nfs/dbraw/zinc/27/80/48/712278048.db2.gz XLNRTJUBMLKHBS-NSHDSACASA-N 1 0 244.360 0.366 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711384449 712297767 /nfs/dbraw/zinc/29/77/67/712297767.db2.gz HKNKARJZOINZSR-JTQLQIEISA-N 1 0 226.320 0.551 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000711501153 712306478 /nfs/dbraw/zinc/30/64/78/712306478.db2.gz CRAFENVXSZSPNL-JTQLQIEISA-N 1 0 212.268 0.417 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000711628901 712313456 /nfs/dbraw/zinc/31/34/56/712313456.db2.gz GQMMBOWYBLVAHL-AOOOYVTPSA-N 1 0 224.329 0.031 20 30 BCEDRO N#CC[C@@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000711943269 712339748 /nfs/dbraw/zinc/33/97/48/712339748.db2.gz NCKHUGCVGONGGW-JTQLQIEISA-N 1 0 220.280 0.299 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001079391739 712347664 /nfs/dbraw/zinc/34/76/64/712347664.db2.gz KXQLHYJFNFEZQN-UTUOFQBUSA-N 1 0 236.315 0.235 20 30 BCEDRO C#CCN1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001079493583 712349288 /nfs/dbraw/zinc/34/92/88/712349288.db2.gz XMTPENJTRTUYKJ-UPJWGTAASA-N 1 0 249.358 0.150 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001079649543 712349652 /nfs/dbraw/zinc/34/96/52/712349652.db2.gz MYPFANXEFJBYDQ-NXEZZACHSA-N 1 0 249.318 0.051 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001079667084 712350020 /nfs/dbraw/zinc/35/00/20/712350020.db2.gz LWRDGIVCYBSTCH-OPRDCNLKSA-N 1 0 242.269 0.711 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001080673514 712353659 /nfs/dbraw/zinc/35/36/59/712353659.db2.gz SKLDKFWXUISDME-GHMZBOCLSA-N 1 0 246.314 0.022 20 30 BCEDRO CO[C@@H](C)C[N@H+](C)CCO[C@@H](C)C#N ZINC000379508462 712386774 /nfs/dbraw/zinc/38/67/74/712386774.db2.gz ORXJOSULDCLVMH-UWVGGRQHSA-N 1 0 200.282 0.882 20 30 BCEDRO C#CCNC(=S)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000758260917 712408301 /nfs/dbraw/zinc/40/83/01/712408301.db2.gz YQVGWPSRPWJFJT-LLVKDONJSA-N 1 0 239.388 0.768 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNc1ccncc1C#N ZINC000712593229 712435274 /nfs/dbraw/zinc/43/52/74/712435274.db2.gz XCMVLWJJFCXZBJ-NSHDSACASA-N 1 0 216.288 0.881 20 30 BCEDRO C[NH+](C)C[C@@]1(O)CCN(c2ncccc2C#N)C1 ZINC000713647243 712468259 /nfs/dbraw/zinc/46/82/59/712468259.db2.gz HPGJRDCJXVOQBV-ZDUSSCGKSA-N 1 0 246.314 0.456 20 30 BCEDRO C[NH+](C)C[C@@]1(O)CCN(c2cccc(C#N)n2)C1 ZINC000713651462 712468543 /nfs/dbraw/zinc/46/85/43/712468543.db2.gz XCDUVZIQCWHVGM-ZDUSSCGKSA-N 1 0 246.314 0.456 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715079843 712506479 /nfs/dbraw/zinc/50/64/79/712506479.db2.gz AIAFCPSRNMDHEZ-UWVGGRQHSA-N 1 0 215.293 0.665 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715169426 712513487 /nfs/dbraw/zinc/51/34/87/712513487.db2.gz CUSLYMMVDIXUTL-CSMHCCOUSA-N 1 0 218.247 0.907 20 30 BCEDRO CC1CC(C#N)(C(=O)NC23CC[NH+](CC2)C3)C1 ZINC000715508571 712524685 /nfs/dbraw/zinc/52/46/85/712524685.db2.gz QGYHEUHWVLPBGG-UHFFFAOYSA-N 1 0 233.315 0.891 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715942484 712544713 /nfs/dbraw/zinc/54/47/13/712544713.db2.gz JOBVTZIPROVGFD-DTWKUNHWSA-N 1 0 210.281 0.403 20 30 BCEDRO C#C[C@@H](CC)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716121323 712550502 /nfs/dbraw/zinc/55/05/02/712550502.db2.gz QOYQAUWJXJTFPD-IDKOKCKLSA-N 1 0 215.318 0.563 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716156833 712552555 /nfs/dbraw/zinc/55/25/55/712552555.db2.gz FVZVGHHSANVPJV-IDKOKCKLSA-N 1 0 233.333 0.089 20 30 BCEDRO C#CC[C@H](COC)Nc1cc(C)[nH+]c(N)n1 ZINC000716332910 712555153 /nfs/dbraw/zinc/55/51/53/712555153.db2.gz KYMLKMXKIKBIEM-SECBINFHSA-N 1 0 220.276 0.817 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)COC(C)C ZINC000716354812 712556270 /nfs/dbraw/zinc/55/62/70/712556270.db2.gz BFKLTTSNANLSCV-NWDGAFQWSA-N 1 0 229.320 0.400 20 30 BCEDRO C#CC[C@H](COC)[NH2+]CCCc1cnn(C)c1 ZINC000716375083 712557357 /nfs/dbraw/zinc/55/73/57/712557357.db2.gz NADKZUZFRAQWDY-CYBMUJFWSA-N 1 0 235.331 0.981 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C12CC[NH+](CC1)C2 ZINC000716792412 712573649 /nfs/dbraw/zinc/57/36/49/712573649.db2.gz CUZDBYZSSMGIFH-LLVKDONJSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)COCC(C)C ZINC000716836919 712577632 /nfs/dbraw/zinc/57/76/32/712577632.db2.gz DBGQIENCBYRKJZ-STQMWFEESA-N 1 0 243.347 0.648 20 30 BCEDRO C#C[C@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000848282807 712609520 /nfs/dbraw/zinc/60/95/20/712609520.db2.gz ZXQWFYZPDMTNBI-QWRGUYRKSA-N 1 0 208.305 0.808 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)C[C@H]1CCOC1 ZINC000379817626 712611662 /nfs/dbraw/zinc/61/16/62/712611662.db2.gz RDLZRXHREQOMBG-GHMZBOCLSA-N 1 0 212.293 0.883 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCC(=O)N(C)CC ZINC000852752076 712612867 /nfs/dbraw/zinc/61/28/67/712612867.db2.gz OPROMLMFYIEQQI-UHFFFAOYSA-N 1 0 240.347 0.827 20 30 BCEDRO COCCC[N@H+](CCO)Cc1cncc(C#N)c1 ZINC000930250897 712615631 /nfs/dbraw/zinc/61/56/31/712615631.db2.gz RQFUPTQRJLPGLP-UHFFFAOYSA-N 1 0 249.314 0.784 20 30 BCEDRO COC[C@H]([NH2+]CCO[C@@H](C)C#N)C1CC1 ZINC000379914740 712625173 /nfs/dbraw/zinc/62/51/73/712625173.db2.gz BCZPERQNCLBIRR-ONGXEEELSA-N 1 0 212.293 0.930 20 30 BCEDRO COC[C@@H]([NH2+]CCO[C@@H](C)C#N)C1CC1 ZINC000379914737 712625197 /nfs/dbraw/zinc/62/51/97/712625197.db2.gz BCZPERQNCLBIRR-GXSJLCMTSA-N 1 0 212.293 0.930 20 30 BCEDRO C#CCC1(O)CC[NH+](CCC[C@@H](C)O)CC1 ZINC000880484383 712633398 /nfs/dbraw/zinc/63/33/98/712633398.db2.gz XAVKMDQEIWLYQF-GFCCVEGCSA-N 1 0 225.332 0.998 20 30 BCEDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000717272298 712642070 /nfs/dbraw/zinc/64/20/70/712642070.db2.gz UUOLJXUGAYDQJJ-UFBFGSQYSA-N 1 0 238.262 0.529 20 30 BCEDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000717296267 712645551 /nfs/dbraw/zinc/64/55/51/712645551.db2.gz LYKFJDZICCLSJL-BXKDBHETSA-N 1 0 220.272 0.390 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000717296271 712645574 /nfs/dbraw/zinc/64/55/74/712645574.db2.gz LYKFJDZICCLSJL-SKDRFNHKSA-N 1 0 220.272 0.390 20 30 BCEDRO C=CCC1(O)CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000717395330 712653815 /nfs/dbraw/zinc/65/38/15/712653815.db2.gz BHJAAPHQIAWSRT-NSHDSACASA-N 1 0 238.331 0.668 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000886355137 712654806 /nfs/dbraw/zinc/65/48/06/712654806.db2.gz CNFOWQBEJAKVCZ-LLVKDONJSA-N 1 0 206.289 0.564 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)c1c(F)cccc1F ZINC000717438448 712657909 /nfs/dbraw/zinc/65/79/09/712657909.db2.gz QDLMKZTURZBNGV-LLVKDONJSA-N 1 0 241.237 0.584 20 30 BCEDRO C=CCC1(O)CC[NH+](C[C@@H](O)COC)CC1 ZINC000717425709 712658133 /nfs/dbraw/zinc/65/81/33/712658133.db2.gz YFUPEMVONAVPCR-LLVKDONJSA-N 1 0 229.320 0.397 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccc(=O)[nH]c1 ZINC000717595854 712661032 /nfs/dbraw/zinc/66/10/32/712661032.db2.gz QYELCDDGKMOSCT-UHFFFAOYSA-N 1 0 233.271 0.082 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c(C)nn(CC)c1C ZINC000717708592 712664298 /nfs/dbraw/zinc/66/42/98/712664298.db2.gz DBKXNMZYTQOZLJ-LBPRGKRZSA-N 1 0 235.331 0.994 20 30 BCEDRO Cc1cccc(C(=O)NCC#CC[NH+](C)C)c1O ZINC000717680423 712664398 /nfs/dbraw/zinc/66/43/98/712664398.db2.gz YDZPSXJBDHWUTN-UHFFFAOYSA-N 1 0 246.310 0.995 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cc(OC)ns1 ZINC000717711215 712666471 /nfs/dbraw/zinc/66/64/71/712666471.db2.gz VNTHSKKPHDXDTQ-MRVPVSSYSA-N 1 0 226.301 0.626 20 30 BCEDRO C#CC[C@H](CO)[NH2+]CC1(O)CCCCC1 ZINC000717726777 712667595 /nfs/dbraw/zinc/66/75/95/712667595.db2.gz FRSFELBRBJCISK-LLVKDONJSA-N 1 0 211.305 0.655 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000717763898 712674120 /nfs/dbraw/zinc/67/41/20/712674120.db2.gz YUSHZSSNKRYEGS-UTUOFQBUSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC000717794527 712678318 /nfs/dbraw/zinc/67/83/18/712678318.db2.gz NNTUJJXTFSFGAK-NWDGAFQWSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(OC)cc(C)n1 ZINC000717788095 712677791 /nfs/dbraw/zinc/67/77/91/712677791.db2.gz ROTISTNVBNLFSW-NSHDSACASA-N 1 0 234.299 0.872 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000717794685 712678214 /nfs/dbraw/zinc/67/82/14/712678214.db2.gz PEFYBWBPPUGSEI-JTQLQIEISA-N 1 0 249.266 0.595 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000717824351 712681690 /nfs/dbraw/zinc/68/16/90/712681690.db2.gz XGQVYMLHCMSEKJ-JHJVBQTASA-N 1 0 224.348 0.833 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1CCCO1)[C@@H]1CCCO1 ZINC000380110548 712687659 /nfs/dbraw/zinc/68/76/59/712687659.db2.gz RTGDRUQJZIXGEV-WOPDTQHZSA-N 1 0 209.289 0.936 20 30 BCEDRO C=CCC1(O)CCN(C(=O)C[NH+](C)C)CC1 ZINC000717842211 712692323 /nfs/dbraw/zinc/69/23/23/712692323.db2.gz OEECVBZGFCUNRC-UHFFFAOYSA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCOC1 ZINC000380134637 712692343 /nfs/dbraw/zinc/69/23/43/712692343.db2.gz UHPPLFWQPAPXIE-SNVBAGLBSA-N 1 0 233.333 0.356 20 30 BCEDRO C#CC1(O)CC[NH+](CC[C@H]2CCOC2=O)CC1 ZINC000931144245 712713782 /nfs/dbraw/zinc/71/37/82/712713782.db2.gz SZVBFICOHVFBBI-NSHDSACASA-N 1 0 237.299 0.400 20 30 BCEDRO CCNC(NCC(=O)NC(C)C)=[NH+]CC ZINC000195522098 712730540 /nfs/dbraw/zinc/73/05/40/712730540.db2.gz AZFDROQRAQAIKW-UHFFFAOYSA-N 1 0 214.313 0.086 20 30 BCEDRO CCOCCCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000195522617 712730827 /nfs/dbraw/zinc/73/08/27/712730827.db2.gz HVROWOKZCCZZEV-LLVKDONJSA-N 1 0 243.351 0.886 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000717901403 712732607 /nfs/dbraw/zinc/73/26/07/712732607.db2.gz VTXZRQUQGRFOKG-IUCAKERBSA-N 1 0 239.237 0.664 20 30 BCEDRO Cc1cc(C#N)ccc1N1CC[NH+](CCO)CC1 ZINC000037732957 712753077 /nfs/dbraw/zinc/75/30/77/712753077.db2.gz SJKAKHIBLLRKLW-UHFFFAOYSA-N 1 0 245.326 0.981 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000718986930 712792177 /nfs/dbraw/zinc/79/21/77/712792177.db2.gz GIKAMLXAUGSKEO-QWRGUYRKSA-N 1 0 240.303 0.610 20 30 BCEDRO C=CC[C@H](C)NC(=O)c1c(C[NH3+])cnn1C ZINC000719255458 712801837 /nfs/dbraw/zinc/80/18/37/712801837.db2.gz DJTVQJSPFCIYDZ-QMMMGPOBSA-N 1 0 222.292 0.573 20 30 BCEDRO C#CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720459707 712844499 /nfs/dbraw/zinc/84/44/99/712844499.db2.gz UMEQFPZYMFEYEH-UWVGGRQHSA-N 1 0 224.329 0.316 20 30 BCEDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cccc(C#N)c1=O ZINC000721029153 712887609 /nfs/dbraw/zinc/88/76/09/712887609.db2.gz NYCOGHJGNWTLTP-KOLCDFICSA-N 1 0 217.272 0.575 20 30 BCEDRO C=CCN1CCN(c2cc(N)cc[nH+]2)CC1 ZINC000667698225 721863198 /nfs/dbraw/zinc/86/31/98/721863198.db2.gz FIUQTXJOSHWYMN-UHFFFAOYSA-N 1 0 218.304 0.972 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(c2cncc(C#N)n2)C1 ZINC000401331435 721887705 /nfs/dbraw/zinc/88/77/05/721887705.db2.gz NLXTZAXSXWDJAR-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO C[NH+](C)CC1(C(=O)N(CC#N)CC#N)CC1 ZINC000602086226 349433550 /nfs/dbraw/zinc/43/35/50/349433550.db2.gz NDPZTMPPPWOJMM-UHFFFAOYSA-N 1 0 220.276 0.204 20 30 BCEDRO N#CCNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602086249 349433622 /nfs/dbraw/zinc/43/36/22/349433622.db2.gz OFZYTCCRPFZIPP-SNVBAGLBSA-N 1 0 207.277 0.643 20 30 BCEDRO CC#CCC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000161181482 538914773 /nfs/dbraw/zinc/91/47/73/538914773.db2.gz LCDVVJXIKCFUQT-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO CCN(C)C(=O)[C@@H]([NH2+]CC#CCOC)C(C)C ZINC000649849533 398138685 /nfs/dbraw/zinc/13/86/85/398138685.db2.gz JJOQBVHMKXKUKC-LBPRGKRZSA-N 1 0 240.347 0.729 20 30 BCEDRO C=C(C)CNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418328632 192025413 /nfs/dbraw/zinc/02/54/13/192025413.db2.gz AASURKZBTVQZJG-JTQLQIEISA-N 1 0 211.309 0.861 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000268530457 398140997 /nfs/dbraw/zinc/14/09/97/398140997.db2.gz YUHIJAYVAQUAOC-JTQLQIEISA-N 1 0 204.277 0.926 20 30 BCEDRO C[NH+](C)[C@H]1C[C@H](NC(=O)CC#N)C1(C)C ZINC000602172669 349459775 /nfs/dbraw/zinc/45/97/75/349459775.db2.gz OLQQPDDUWGGYKO-IUCAKERBSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H](C(=O)NCC(C)(C)CC#N)[NH+](C)C ZINC000602159334 349465385 /nfs/dbraw/zinc/46/53/85/349465385.db2.gz QVTCUXWWMYMYIT-SECBINFHSA-N 1 0 211.309 0.993 20 30 BCEDRO N#CC1CN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000602160099 349465614 /nfs/dbraw/zinc/46/56/14/349465614.db2.gz LEWBIWJCSRPZAA-GFCCVEGCSA-N 1 0 233.315 0.985 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602168177 349467435 /nfs/dbraw/zinc/46/74/35/349467435.db2.gz VNZWEGZQHKXTNP-MXWKQRLJSA-N 1 0 221.304 0.889 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418348329 192026523 /nfs/dbraw/zinc/02/65/23/192026523.db2.gz RDUQBYFGQOJMMS-UWVGGRQHSA-N 1 0 211.309 0.860 20 30 BCEDRO CSC[C@H]1CCC[N@@H+]1CC(=O)NCC#N ZINC000135477649 136214430 /nfs/dbraw/zinc/21/44/30/136214430.db2.gz KXPUXPBUGYYWTB-SECBINFHSA-N 1 0 227.333 0.454 20 30 BCEDRO C=CCOCCCC(=O)NC[C@@H]1CC[NH2+]C1 ZINC000273070957 398148728 /nfs/dbraw/zinc/14/87/28/398148728.db2.gz VNOZPNVISIJGPC-LLVKDONJSA-N 1 0 226.320 0.695 20 30 BCEDRO CC#CC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000277860268 398154270 /nfs/dbraw/zinc/15/42/70/398154270.db2.gz ZHUWUKGJFXZZJS-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO CC#CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000277872889 398154875 /nfs/dbraw/zinc/15/48/75/398154875.db2.gz ZYUZMRQBGJDSHU-WDEREUQCSA-N 1 0 208.305 0.808 20 30 BCEDRO C=C(C)C[NH+]1CCN(CCOCCOC)CC1 ZINC000649897220 398169368 /nfs/dbraw/zinc/16/93/68/398169368.db2.gz NMTDZNBHKQDFDR-UHFFFAOYSA-N 1 0 242.363 0.843 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]([NH3+])CCC)nn1 ZINC000424206245 398175329 /nfs/dbraw/zinc/17/53/29/398175329.db2.gz HJAHZYGWCVPEGT-JTQLQIEISA-N 1 0 237.307 0.208 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000424205532 398175532 /nfs/dbraw/zinc/17/55/32/398175532.db2.gz GBAIEXAIITYFJG-TUAOUCFPSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C[NH3+])OC ZINC000424206642 398176800 /nfs/dbraw/zinc/17/68/00/398176800.db2.gz HTGMUQBMATUZDN-AXFHLTTASA-N 1 0 242.319 0.058 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(=O)NC ZINC000424292312 398180281 /nfs/dbraw/zinc/18/02/81/398180281.db2.gz GLAZSJYIJKJDPK-DCAQKATOSA-N 1 0 226.320 0.692 20 30 BCEDRO C=CCn1cc(CN[C@H]2CC[N@@H+](C)C[C@H]2C)nn1 ZINC000424291603 398180380 /nfs/dbraw/zinc/18/03/80/398180380.db2.gz DVHNERMDNOBEEG-YPMHNXCESA-N 1 0 249.362 0.894 20 30 BCEDRO C#CCNC(=O)NC1CC[NH+](CCC)CC1 ZINC000107326122 398181969 /nfs/dbraw/zinc/18/19/69/398181969.db2.gz GRPFTYYFNJLFFL-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CNCC[C@H]1C ZINC000423020273 398162732 /nfs/dbraw/zinc/16/27/32/398162732.db2.gz ZRBBVJYMBUNPDK-GRYCIOLGSA-N 1 0 212.337 0.759 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCN(CC)[C@@H](C)C1 ZINC000649396028 398197816 /nfs/dbraw/zinc/19/78/16/398197816.db2.gz SUFXROIKDPHYKU-RYUDHWBXSA-N 1 0 212.337 0.949 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000650001007 398213492 /nfs/dbraw/zinc/21/34/92/398213492.db2.gz PNSFSWVDKMCRLB-NEPJUHHUSA-N 1 0 211.305 0.993 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@@H](O)CN(C)CCC#N)[C@H]1C ZINC000414130007 398218134 /nfs/dbraw/zinc/21/81/34/398218134.db2.gz WKHKJRDWFWGORU-WOPDTQHZSA-N 1 0 225.336 0.533 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H](O)CN(C)CCC#N)[C@@H]1C ZINC000414130002 398218146 /nfs/dbraw/zinc/21/81/46/398218146.db2.gz WKHKJRDWFWGORU-IJLUTSLNSA-N 1 0 225.336 0.533 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418369980 192029156 /nfs/dbraw/zinc/02/91/56/192029156.db2.gz OIBWXNNYCXSRMF-GHMZBOCLSA-N 1 0 241.335 0.365 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418397732 192033030 /nfs/dbraw/zinc/03/30/30/192033030.db2.gz JQQVAIUOFIAQLF-QWRGUYRKSA-N 1 0 241.335 0.350 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418381667 192030663 /nfs/dbraw/zinc/03/06/63/192030663.db2.gz XQQNPWROFZJPDR-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO C=CCCCN(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418386720 192031348 /nfs/dbraw/zinc/03/13/48/192031348.db2.gz QJESUFANPGINMZ-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H](C)C[NH2+]C ZINC000418402860 192033465 /nfs/dbraw/zinc/03/34/65/192033465.db2.gz ZNLVPGSLRCVYEP-MNOVXSKESA-N 1 0 243.351 0.468 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NC[C@H]([NH3+])C(C)C ZINC000418405379 192033767 /nfs/dbraw/zinc/03/37/67/192033767.db2.gz KZLVZXMMBKAHOX-ZJUUUORDSA-N 1 0 229.324 0.206 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418405378 192033852 /nfs/dbraw/zinc/03/38/52/192033852.db2.gz KZLVZXMMBKAHOX-VHSXEESVSA-N 1 0 229.324 0.206 20 30 BCEDRO C[C@@H]1CN(C(=O)C2(C#N)CCC2)CC[NH2+]1 ZINC000602435146 349522217 /nfs/dbraw/zinc/52/22/17/349522217.db2.gz TZVQKTAKZRWSEK-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418415469 192035082 /nfs/dbraw/zinc/03/50/82/192035082.db2.gz UOBMCUADNJTFAZ-NSHDSACASA-N 1 0 243.351 0.814 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NCC([NH3+])(CC)CC ZINC000418439552 192036009 /nfs/dbraw/zinc/03/60/09/192036009.db2.gz OBYFKVJJQAEPKD-VIFPVBQESA-N 1 0 229.324 0.350 20 30 BCEDRO C[N@H+](CCCOc1cccc(C#N)c1)CC(N)=O ZINC000037268526 361794076 /nfs/dbraw/zinc/79/40/76/361794076.db2.gz GZZXQNPKUTWOGK-UHFFFAOYSA-N 1 0 247.298 0.744 20 30 BCEDRO CN(CCOc1cccc(C#N)c1)CC(N)=O ZINC000037268516 361794094 /nfs/dbraw/zinc/79/40/94/361794094.db2.gz ZSDUUXXDDVSVTP-UHFFFAOYSA-N 1 0 233.271 0.354 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418447092 192036575 /nfs/dbraw/zinc/03/65/75/192036575.db2.gz BSWIFPYKGPROCC-ONGXEEELSA-N 1 0 241.335 0.208 20 30 BCEDRO CC#CC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000283244704 136228239 /nfs/dbraw/zinc/22/82/39/136228239.db2.gz PWCWUIYVNZOUST-VHSXEESVSA-N 1 0 226.345 0.514 20 30 BCEDRO N#CC1(C(=O)N2CCC[C@H]([NH3+])C2)CCC1 ZINC000602422862 349530577 /nfs/dbraw/zinc/53/05/77/349530577.db2.gz UUPMBPULBVORBO-VIFPVBQESA-N 1 0 207.277 0.630 20 30 BCEDRO CC[NH2+]CCCNC(=O)C1(C#N)CCC1 ZINC000602425652 349532466 /nfs/dbraw/zinc/53/24/66/349532466.db2.gz SKLPOTOTPOXGBD-UHFFFAOYSA-N 1 0 209.293 0.796 20 30 BCEDRO N#CC1(C(=O)N2CCC[NH2+]CC2)CC2(CC2)C1 ZINC000602424828 349532648 /nfs/dbraw/zinc/53/26/48/349532648.db2.gz MIOHAOOESSGNBQ-UHFFFAOYSA-N 1 0 233.315 0.892 20 30 BCEDRO C=CC[N@@H+](C[C@@](C)(O)C(=O)OC)C1CC1 ZINC000343767623 365625067 /nfs/dbraw/zinc/62/50/67/365625067.db2.gz OIPCCDVGHYNDBX-LLVKDONJSA-N 1 0 213.277 0.561 20 30 BCEDRO C[C@@H]1CN(C(=O)C2(C#N)CCC2)C[C@H](C)[NH2+]1 ZINC000602433039 349536559 /nfs/dbraw/zinc/53/65/59/349536559.db2.gz KNZVNZFWSLDNJV-AOOOYVTPSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@@H]([NH2+]CCC#N)[C@H](C)N1CCOCC1 ZINC000576627750 365641997 /nfs/dbraw/zinc/64/19/97/365641997.db2.gz CTOIWAPKIKWJFC-MNOVXSKESA-N 1 0 211.309 0.599 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[N@H+](C)C(C)(C)C1 ZINC000301044942 349537966 /nfs/dbraw/zinc/53/79/66/349537966.db2.gz NBCWKFAQQMCMEX-JTQLQIEISA-N 1 0 226.320 0.740 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(c2ccnc(C#N)n2)C1 ZINC000576718091 365668899 /nfs/dbraw/zinc/66/88/99/365668899.db2.gz QRLFQKJNHKSFJU-SNVBAGLBSA-N 1 0 231.303 0.736 20 30 BCEDRO C[C@H](CCC#N)C[N@H+](CCO)CCCO ZINC000602468379 349541151 /nfs/dbraw/zinc/54/11/51/349541151.db2.gz NECKPCOBCXVPIJ-LLVKDONJSA-N 1 0 214.309 0.603 20 30 BCEDRO CCNC(=O)C[N@H+](C)C[C@H](C)CCC#N ZINC000602450584 349552171 /nfs/dbraw/zinc/55/21/71/349552171.db2.gz BMDWAAOXDQNOOF-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO Cc1ccc(C#N)c(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000090322791 178363027 /nfs/dbraw/zinc/36/30/27/178363027.db2.gz ZBRSKCZRILNYRT-TXEJJXNPSA-N 1 0 228.299 0.917 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@@H](C)C[NH3+] ZINC000418474416 192038980 /nfs/dbraw/zinc/03/89/80/192038980.db2.gz PKJMDWPHVJCDDG-JTQLQIEISA-N 1 0 229.324 0.425 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000381601972 398266307 /nfs/dbraw/zinc/26/63/07/398266307.db2.gz HKIZQZKDEDRMAV-SNVBAGLBSA-N 1 0 212.293 0.433 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H](C[NH3+])CCCC ZINC000418477552 192039755 /nfs/dbraw/zinc/03/97/55/192039755.db2.gz YAPUIYCMILPWFW-WDEREUQCSA-N 1 0 243.351 0.740 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000602494440 349572774 /nfs/dbraw/zinc/57/27/74/349572774.db2.gz YIKDHMIFCFZHMT-MRVPVSSYSA-N 1 0 207.277 0.534 20 30 BCEDRO C=C[C@@](C)(CC)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000442821046 398269268 /nfs/dbraw/zinc/26/92/68/398269268.db2.gz LSXHANOJBAKJCR-STQMWFEESA-N 1 0 240.347 0.772 20 30 BCEDRO N#CC1(C(=O)N2CCCO[C@H](C[NH3+])C2)CCC1 ZINC000602512346 349585865 /nfs/dbraw/zinc/58/58/65/349585865.db2.gz XRGNXWARDMWSNN-SNVBAGLBSA-N 1 0 237.303 0.256 20 30 BCEDRO C[N@@H+]1CCCN(c2cc(C#N)ncn2)CC1 ZINC000259701467 349586753 /nfs/dbraw/zinc/58/67/53/349586753.db2.gz LGIUTCXQCVADRS-UHFFFAOYSA-N 1 0 217.276 0.490 20 30 BCEDRO CCC(C#N)(CC)C(=O)NCCOCC[NH2+]C ZINC000602544428 349588834 /nfs/dbraw/zinc/58/88/34/349588834.db2.gz RMUGTCMYHZVEGS-UHFFFAOYSA-N 1 0 241.335 0.669 20 30 BCEDRO N#CC1(C(=O)N2CC3CC2(C[NH3+])C3)CCC1 ZINC000602521065 349574779 /nfs/dbraw/zinc/57/47/79/349574779.db2.gz LJCOJWDKRMCEBV-UHFFFAOYSA-N 1 0 219.288 0.630 20 30 BCEDRO CCN(CC[NH3+])C(=O)C1(C#N)CC2(CC2)C1 ZINC000602535031 349602358 /nfs/dbraw/zinc/60/23/58/349602358.db2.gz LVFUTGMJABUOKM-UHFFFAOYSA-N 1 0 221.304 0.878 20 30 BCEDRO CCC(C#N)(CC)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000602550027 349591988 /nfs/dbraw/zinc/59/19/88/349591988.db2.gz ICLCQAAJFFKNAE-JTQLQIEISA-N 1 0 239.319 0.421 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000602577757 349606868 /nfs/dbraw/zinc/60/68/68/349606868.db2.gz AJFRZJRNKSPKGQ-JQWIXIFHSA-N 1 0 236.319 0.983 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC(C)(C)C#N ZINC000335603417 136235444 /nfs/dbraw/zinc/23/54/44/136235444.db2.gz IFQULHWKUWUIPV-NXEZZACHSA-N 1 0 238.335 0.833 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC1([NH+](C)C)CC1 ZINC000616343586 342718502 /nfs/dbraw/zinc/71/85/02/342718502.db2.gz NCLSYCXZSDTABV-SNVBAGLBSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C1([NH+](C)C)CC1 ZINC000613254205 361850512 /nfs/dbraw/zinc/85/05/12/361850512.db2.gz WEUYMQWPHCOKGV-SNVBAGLBSA-N 1 0 226.320 0.381 20 30 BCEDRO CC#CCN(C)C(=O)NCC[NH2+]CCC ZINC000418492020 192041409 /nfs/dbraw/zinc/04/14/09/192041409.db2.gz UKQOUDFVYGZMQJ-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(C)(C)C#N ZINC000335603418 136235507 /nfs/dbraw/zinc/23/55/07/136235507.db2.gz IFQULHWKUWUIPV-UWVGGRQHSA-N 1 0 238.335 0.833 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)CC1(C[NH3+])CC1 ZINC000602590205 349614136 /nfs/dbraw/zinc/61/41/36/349614136.db2.gz CKYWGWXIOMHSDT-VIFPVBQESA-N 1 0 209.293 0.876 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000616384516 342749784 /nfs/dbraw/zinc/74/97/84/342749784.db2.gz RYACBIPKYPSMES-PWSUYJOCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000320255966 342732890 /nfs/dbraw/zinc/73/28/90/342732890.db2.gz JCPJZGJCBSVWAA-NWDGAFQWSA-N 1 0 239.319 0.161 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000583331819 342735261 /nfs/dbraw/zinc/73/52/61/342735261.db2.gz OUTZKZDZMGGNBT-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO C[C@@H](C(=O)NCC#N)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000126511606 398284058 /nfs/dbraw/zinc/28/40/58/398284058.db2.gz YEPYVLHBUYNSNL-AEJSXWLSSA-N 1 0 209.293 0.887 20 30 BCEDRO CCOC(=O)[C@H](C)[C@@H](C)[NH2+]CC#CCOC ZINC000309643389 342775088 /nfs/dbraw/zinc/77/50/88/342775088.db2.gz LHXUZWSZCNXJEJ-GHMZBOCLSA-N 1 0 227.304 0.814 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000616386576 342751423 /nfs/dbraw/zinc/75/14/23/342751423.db2.gz XDZAYUGSPVXOOD-NXEZZACHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C(C)CN(C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418459176 192043483 /nfs/dbraw/zinc/04/34/83/192043483.db2.gz JOFKMEGEVYUPHN-SNVBAGLBSA-N 1 0 211.309 0.941 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)CCCCC#N ZINC000602571705 349621691 /nfs/dbraw/zinc/62/16/91/349621691.db2.gz CGIAVKLYRQATIV-VHSXEESVSA-N 1 0 209.293 0.937 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000157660978 342813418 /nfs/dbraw/zinc/81/34/18/342813418.db2.gz WYEDVUJGVGJOOT-MRVPVSSYSA-N 1 0 202.685 0.855 20 30 BCEDRO N#CCc1cccc2c1CCN(C(=O)CC[NH3+])C2 ZINC000602575349 349624008 /nfs/dbraw/zinc/62/40/08/349624008.db2.gz HDBFVHBNWPIOFJ-UHFFFAOYSA-N 1 0 243.310 0.986 20 30 BCEDRO CN1CC[NH2+]C[C@H]1CNc1cccnc1C#N ZINC000394722060 342815116 /nfs/dbraw/zinc/81/51/16/342815116.db2.gz GAUUOJYFGCZPDI-JTQLQIEISA-N 1 0 231.303 0.269 20 30 BCEDRO C[NH2+]CCC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000602601839 349624705 /nfs/dbraw/zinc/62/47/05/349624705.db2.gz LIMJZMDDLSQZEJ-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO N#CCCN1CCN(C(=O)C2=CC[C@@H]([NH3+])C2)CC1 ZINC000602602126 349624646 /nfs/dbraw/zinc/62/46/46/349624646.db2.gz ABDINRSBKWEWAG-GFCCVEGCSA-N 1 0 248.330 0.092 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000602576222 349624665 /nfs/dbraw/zinc/62/46/65/349624665.db2.gz KEEQXPKHQHVPMQ-ZJUUUORDSA-N 1 0 232.349 0.949 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348777241 136238572 /nfs/dbraw/zinc/23/85/72/136238572.db2.gz UQUHKKWPVPIERO-STQMWFEESA-N 1 0 240.347 0.330 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000602594197 349622375 /nfs/dbraw/zinc/62/23/75/349622375.db2.gz UMBKNHVEVNZEQQ-GHMZBOCLSA-N 1 0 239.319 0.516 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000602594199 349622480 /nfs/dbraw/zinc/62/24/80/349622480.db2.gz UMBKNHVEVNZEQQ-QWRGUYRKSA-N 1 0 239.319 0.516 20 30 BCEDRO COC1(CNC(=[NH2+])N2CCOCC2)CCCC1 ZINC000263213056 536592933 /nfs/dbraw/zinc/59/29/33/536592933.db2.gz ZKRKJNYJCCDJBP-UHFFFAOYSA-N 1 0 241.335 0.593 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(C#N)CCC1 ZINC000602572251 349622548 /nfs/dbraw/zinc/62/25/48/349622548.db2.gz DKCHGNPHDBEJBU-DTWKUNHWSA-N 1 0 207.277 0.547 20 30 BCEDRO CN1CC[NH2+]C[C@@H]1CNc1cnccc1C#N ZINC000394757227 342822740 /nfs/dbraw/zinc/82/27/40/342822740.db2.gz YQQPOUYHVLBFOZ-LLVKDONJSA-N 1 0 231.303 0.269 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@@H](C)C[NH2+]C)C(=O)OC ZINC000602603288 349626135 /nfs/dbraw/zinc/62/61/35/349626135.db2.gz XLNJAONMSKGODZ-VHSXEESVSA-N 1 0 242.319 0.466 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)C[C@H](C)[NH3+])C(=O)OC ZINC000602602581 349625535 /nfs/dbraw/zinc/62/55/35/349625535.db2.gz UZRDGLWNXCTCRM-DTWKUNHWSA-N 1 0 228.292 0.348 20 30 BCEDRO COCC#CC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000390519344 539026243 /nfs/dbraw/zinc/02/62/43/539026243.db2.gz DXLMABMTXJNBBA-GHMZBOCLSA-N 1 0 224.304 0.270 20 30 BCEDRO C[C@@H](CNc1ncncc1C#N)C[NH+](C)C ZINC000309739996 342839765 /nfs/dbraw/zinc/83/97/65/342839765.db2.gz HNNZVUONDUFCQR-VIFPVBQESA-N 1 0 219.292 0.958 20 30 BCEDRO CC#CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418536606 192049314 /nfs/dbraw/zinc/04/93/14/192049314.db2.gz IYUYUWVVIVJTLM-GFCCVEGCSA-N 1 0 223.320 0.699 20 30 BCEDRO C=CCN(CCOC)C(=O)NCC1([NH3+])CCC1 ZINC000418528343 192048138 /nfs/dbraw/zinc/04/81/38/192048138.db2.gz RHPYMFXFUBNKKO-UHFFFAOYSA-N 1 0 241.335 0.712 20 30 BCEDRO CN(CC[NH+](C)C)c1nccnc1C#N ZINC000110895397 398301232 /nfs/dbraw/zinc/30/12/32/398301232.db2.gz KHLSWKQBZPGLOG-UHFFFAOYSA-N 1 0 205.265 0.346 20 30 BCEDRO CN(CC[NH+](C)C)c1ncccc1C#N ZINC000110895383 398301316 /nfs/dbraw/zinc/30/13/16/398301316.db2.gz RBMCXGDUHYIQBH-UHFFFAOYSA-N 1 0 204.277 0.951 20 30 BCEDRO CN(CC[NH+](C)C)c1ccnc(C#N)c1 ZINC000110895400 398301322 /nfs/dbraw/zinc/30/13/22/398301322.db2.gz COXKMFKVEYCGEH-UHFFFAOYSA-N 1 0 204.277 0.951 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NCC1([NH3+])CCC1 ZINC000418531845 192048511 /nfs/dbraw/zinc/04/85/11/192048511.db2.gz XTAMQWMSHNOBOG-SNVBAGLBSA-N 1 0 241.335 0.494 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)NCc1ccc(C#N)cc1 ZINC000417732468 398307509 /nfs/dbraw/zinc/30/75/09/398307509.db2.gz WRYDKABXSMZWEQ-VIFPVBQESA-N 1 0 232.287 0.705 20 30 BCEDRO COCC[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000331886733 398313224 /nfs/dbraw/zinc/31/32/24/398313224.db2.gz ORZLJATWPNPNEK-NSHDSACASA-N 1 0 239.319 0.327 20 30 BCEDRO C[C@H]1CN(c2cc(C#N)ccn2)CC[N@@H+]1CCO ZINC000343040334 342907930 /nfs/dbraw/zinc/90/79/30/342907930.db2.gz FUMQAKHWGPNCQY-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO C[C@@H]1CN(c2ccnc(C#N)c2)CC[N@@H+]1CCO ZINC000343047687 342908287 /nfs/dbraw/zinc/90/82/87/342908287.db2.gz NZJDNPBGAAUYCV-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418581911 192053417 /nfs/dbraw/zinc/05/34/17/192053417.db2.gz MKFDFDREVTUZCC-HBNTYKKESA-N 1 0 241.335 0.493 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CCCOCCO ZINC000602595845 349643791 /nfs/dbraw/zinc/64/37/91/349643791.db2.gz DQLOKZZARZEWDI-LLVKDONJSA-N 1 0 214.309 0.915 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@@H]([NH3+])CC)C(=O)OC ZINC000602598337 349644915 /nfs/dbraw/zinc/64/49/15/349644915.db2.gz BHTHUMDJJFZOEV-IUCAKERBSA-N 1 0 228.292 0.348 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)CC1([NH3+])CC1)C(=O)OC ZINC000602599068 349645730 /nfs/dbraw/zinc/64/57/30/349645730.db2.gz GDNHCEBBIAILJJ-SECBINFHSA-N 1 0 240.303 0.492 20 30 BCEDRO C=C(C)C[C@H](NC(=O)CC[C@H](C)[NH3+])C(=O)OC ZINC000602600888 349646433 /nfs/dbraw/zinc/64/64/33/349646433.db2.gz PURPJLUXEFDACS-UWVGGRQHSA-N 1 0 242.319 0.738 20 30 BCEDRO C[C@H](O)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602639523 349653307 /nfs/dbraw/zinc/65/33/07/349653307.db2.gz STNAYKVDWHGDEB-VIFPVBQESA-N 1 0 205.261 0.814 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+]CC1(C#N)CC1 ZINC000602643758 349656141 /nfs/dbraw/zinc/65/61/41/349656141.db2.gz SUEJMLSMQPIECN-SECBINFHSA-N 1 0 205.265 0.560 20 30 BCEDRO C=CC[NH2+][C@@](C)(COC)CC(=O)OC ZINC000308625894 346892810 /nfs/dbraw/zinc/89/28/10/346892810.db2.gz WAYIVWOSNUUAQI-SNVBAGLBSA-N 1 0 201.266 0.730 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000602699312 349695183 /nfs/dbraw/zinc/69/51/83/349695183.db2.gz PTCNZXNVPFRMTJ-BBBLOLIVSA-N 1 0 209.293 0.780 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351813727 136254804 /nfs/dbraw/zinc/25/48/04/136254804.db2.gz RPTKXLIOBMQSES-VWYCJHECSA-N 1 0 239.319 0.060 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000602691523 349689095 /nfs/dbraw/zinc/68/90/95/349689095.db2.gz GYXNSBNIKRCTHQ-VHSXEESVSA-N 1 0 237.303 0.663 20 30 BCEDRO C[C@H](CCC#N)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000602704608 349698569 /nfs/dbraw/zinc/69/85/69/349698569.db2.gz IAZKRKPYIAKCDR-FRRDWIJNSA-N 1 0 237.347 0.677 20 30 BCEDRO CO[C@@](C)(CO)C[NH2+]C[C@@H](C)CCC#N ZINC000602704654 349699362 /nfs/dbraw/zinc/69/93/62/349699362.db2.gz IVDNUCCBZHUNNH-WDEREUQCSA-N 1 0 214.309 0.913 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2cccnc2)n1 ZINC000353039255 187207116 /nfs/dbraw/zinc/20/71/16/187207116.db2.gz PEYCODICSGZSHP-UHFFFAOYSA-N 1 0 228.259 0.335 20 30 BCEDRO C=C(C)CC[NH+]1CCN(C[C@H](C)O)CC1 ZINC000351817678 136255399 /nfs/dbraw/zinc/25/53/99/136255399.db2.gz BZILBTRNHVYMDO-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C=C[C@@H](CO)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418619087 192057387 /nfs/dbraw/zinc/05/73/87/192057387.db2.gz JKEMPDMAFGUWKP-QWRGUYRKSA-N 1 0 241.335 0.350 20 30 BCEDRO C=C[C@@H](CO)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418619088 192057441 /nfs/dbraw/zinc/05/74/41/192057441.db2.gz JKEMPDMAFGUWKP-WDEREUQCSA-N 1 0 241.335 0.350 20 30 BCEDRO COC[C@H](C)C[NH+]1CCN(CCC#N)CC1 ZINC000602747520 349711580 /nfs/dbraw/zinc/71/15/80/349711580.db2.gz AAOURUALLADMHD-GFCCVEGCSA-N 1 0 225.336 0.800 20 30 BCEDRO N#CCCN1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000602747884 349711828 /nfs/dbraw/zinc/71/18/28/349711828.db2.gz HZKJISOMRWMART-CYBMUJFWSA-N 1 0 237.347 0.944 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1COCCN1C ZINC000602724111 349714349 /nfs/dbraw/zinc/71/43/49/349714349.db2.gz GXVTVGJDVYZVLZ-NWDGAFQWSA-N 1 0 225.336 0.846 20 30 BCEDRO C[C@@H]1OCC[C@@H]1C[NH+]1CCN(CCC#N)CC1 ZINC000602797263 349738500 /nfs/dbraw/zinc/73/85/00/349738500.db2.gz HZGJRJYLPMRBJG-QWHCGFSZSA-N 1 0 237.347 0.943 20 30 BCEDRO C[C@H]1OCC[C@H]1C[NH+]1CCN(CCC#N)CC1 ZINC000602797262 349738752 /nfs/dbraw/zinc/73/87/52/349738752.db2.gz HZGJRJYLPMRBJG-OLZOCXBDSA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCC[NH+]1CCN(c2nccnn2)CC1 ZINC000625638781 344022523 /nfs/dbraw/zinc/02/25/23/344022523.db2.gz MKZRLEXFJGBKIR-UHFFFAOYSA-N 1 0 219.292 0.570 20 30 BCEDRO C[C@@H](O)C[N@H+](CC1(CC#N)CC1)[C@@H](C)CO ZINC000602819167 349759696 /nfs/dbraw/zinc/75/96/96/349759696.db2.gz ZIMDFJVCXCZGKB-WDEREUQCSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@@H](O)C[N@H+](CC1(CC#N)CC1)[C@H](C)CO ZINC000602819161 349760144 /nfs/dbraw/zinc/76/01/44/349760144.db2.gz ZIMDFJVCXCZGKB-GHMZBOCLSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@@H](C[NH+](C)C)Nc1ccnc(C#N)n1 ZINC000308893063 259340496 /nfs/dbraw/zinc/34/04/96/259340496.db2.gz YOHRVNOHQAORHV-QMMMGPOBSA-N 1 0 205.265 0.710 20 30 BCEDRO [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CC(F)C1 ZINC000329734903 136261110 /nfs/dbraw/zinc/26/11/10/136261110.db2.gz KOTABMYLCDVQHP-MRVPVSSYSA-N 1 0 238.266 0.835 20 30 BCEDRO C[C@H](CC#N)N[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000602861299 349772393 /nfs/dbraw/zinc/77/23/93/349772393.db2.gz GAMXLDVUWJEFQT-MXWKQRLJSA-N 1 0 239.319 0.562 20 30 BCEDRO C[C@@H](CC#N)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000602861944 349773600 /nfs/dbraw/zinc/77/36/00/349773600.db2.gz JTQPQIVOWFYRFH-VHSXEESVSA-N 1 0 208.265 0.136 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCSC ZINC000281234679 166181594 /nfs/dbraw/zinc/18/15/94/166181594.db2.gz CPODKOQHMXRXBP-SNVBAGLBSA-N 1 0 228.361 0.809 20 30 BCEDRO COC(=O)CC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854875 349787869 /nfs/dbraw/zinc/78/78/69/349787869.db2.gz DDWJPJJZADLMIN-QWRGUYRKSA-N 1 0 239.319 0.468 20 30 BCEDRO C[C@@H]1C[N@@H+](C[C@@H]2CCOC2)C[C@H](C)N1CC#N ZINC000602854468 349788203 /nfs/dbraw/zinc/78/82/03/349788203.db2.gz PLQOFXLDCIBMFB-XQQFMLRXSA-N 1 0 237.347 0.941 20 30 BCEDRO CO[C@H](C)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856093 349788725 /nfs/dbraw/zinc/78/87/25/349788725.db2.gz YKINWYXNZRSMGJ-SDDRHHMPSA-N 1 0 225.336 0.939 20 30 BCEDRO CNC(=O)CC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856866 349788867 /nfs/dbraw/zinc/78/88/67/349788867.db2.gz NWZPGBYVXHEACH-QWRGUYRKSA-N 1 0 238.335 0.041 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856349 349788932 /nfs/dbraw/zinc/78/89/32/349788932.db2.gz ZIFYUKRFVINEFE-AVGNSLFASA-N 1 0 237.347 0.842 20 30 BCEDRO C[C@@H]1C[N@@H+](CCCCO)C[C@H](C)N1CC#N ZINC000602859182 349789993 /nfs/dbraw/zinc/78/99/93/349789993.db2.gz WXCZHQQUHHZLIV-TXEJJXNPSA-N 1 0 225.336 0.677 20 30 BCEDRO C[C@H]1C[NH+](CC2(C)COC2)C[C@H](C)N1CC#N ZINC000602848897 349784672 /nfs/dbraw/zinc/78/46/72/349784672.db2.gz IPPACPPYDWXSQL-RYUDHWBXSA-N 1 0 237.347 0.941 20 30 BCEDRO CC[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602849761 349784989 /nfs/dbraw/zinc/78/49/89/349784989.db2.gz NMXGUCKKZVHKGA-UTUOFQBUSA-N 1 0 225.336 0.675 20 30 BCEDRO C[C@@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602850581 349785914 /nfs/dbraw/zinc/78/59/14/349785914.db2.gz QUBAYGJEUUXOEU-GARJFASQSA-N 1 0 211.309 0.285 20 30 BCEDRO CC(C)[C@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851758 349786241 /nfs/dbraw/zinc/78/62/41/349786241.db2.gz XOWBYUWSRXZMTQ-FRRDWIJNSA-N 1 0 239.363 0.921 20 30 BCEDRO CC(C)[N@@H+]1CCC[C@H](NC(=O)CC#N)C1 ZINC000336477893 136264255 /nfs/dbraw/zinc/26/42/55/136264255.db2.gz RFUJUZPZGMIVAN-JTQLQIEISA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCOCC(=O)N1CC2CCC1(C[NH3+])CC2 ZINC000576833318 365698720 /nfs/dbraw/zinc/69/87/20/365698720.db2.gz NUPLPJXJUDBCGK-UHFFFAOYSA-N 1 0 238.331 0.919 20 30 BCEDRO C[C@@H]1C[N@@H+](CCCO)C[C@H](C)N1CC#N ZINC000144459384 362033876 /nfs/dbraw/zinc/03/38/76/362033876.db2.gz JPKAMWIMFLHUEN-PHIMTYICSA-N 1 0 211.309 0.287 20 30 BCEDRO C=CCCCN(C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418680062 192059865 /nfs/dbraw/zinc/05/98/65/192059865.db2.gz XRSFNSXNJHJGOJ-URLYPYJESA-N 1 0 223.320 0.812 20 30 BCEDRO C#CCCNC(=O)NC1CC[NH+](CC=C)CC1 ZINC000265004853 187234907 /nfs/dbraw/zinc/23/49/07/187234907.db2.gz JSLWYTAAOHJVRW-UHFFFAOYSA-N 1 0 235.331 0.959 20 30 BCEDRO C#CCSCCNC(=O)/C=C/C[NH+](C)C ZINC000265848920 187235082 /nfs/dbraw/zinc/23/50/82/187235082.db2.gz UUZRNFZGFQRQPU-AATRIKPKSA-N 1 0 226.345 0.587 20 30 BCEDRO C=C(C)COCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000168728616 136269837 /nfs/dbraw/zinc/26/98/37/136269837.db2.gz DQLYVEXCNKTYKD-JTQLQIEISA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000361580910 136268600 /nfs/dbraw/zinc/26/86/00/136268600.db2.gz DGXCUMKHUNCWJJ-AGIUHOORSA-N 1 0 243.347 0.785 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CC)[C@H]2CCOC2)C1=O ZINC000361595954 136268720 /nfs/dbraw/zinc/26/87/20/136268720.db2.gz PZWIPEHKOUGYSO-RYUDHWBXSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CCC[N@@H+]1CCC[C@@H](n2cncn2)C1 ZINC000270584371 187236488 /nfs/dbraw/zinc/23/64/88/187236488.db2.gz JCNJDCGDTCBQST-LLVKDONJSA-N 1 0 204.277 0.938 20 30 BCEDRO CC#CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000277515787 187238873 /nfs/dbraw/zinc/23/88/73/187238873.db2.gz SVCJFRSHPRWZEQ-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C=CCOCC[NH2+][C@@H](CO)C1CCOCC1 ZINC000339082099 136271307 /nfs/dbraw/zinc/27/13/07/136271307.db2.gz QOFXKMXJYHXRAT-LBPRGKRZSA-N 1 0 229.320 0.566 20 30 BCEDRO C=C1CC[NH+](C[C@@](C)(O)C(=O)OC)CC1 ZINC000343816365 136271531 /nfs/dbraw/zinc/27/15/31/136271531.db2.gz NDPRKICKSUVERC-LLVKDONJSA-N 1 0 213.277 0.562 20 30 BCEDRO CC#CC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000277794597 187240343 /nfs/dbraw/zinc/24/03/43/187240343.db2.gz VFGCOGRLRVLUIY-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO C=CCSCC[NH2+][C@H](C)CC(N)=O ZINC000267281436 187235705 /nfs/dbraw/zinc/23/57/05/187235705.db2.gz VLFZNCAPMRSJDL-MRVPVSSYSA-N 1 0 202.323 0.759 20 30 BCEDRO C#CCN(CC#C)[C@H](C)C(=O)NCC(C)C ZINC000299454138 136272968 /nfs/dbraw/zinc/27/29/68/136272968.db2.gz ZKNYSFSEDFDINS-GFCCVEGCSA-N 1 0 220.316 0.716 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000299739390 136273035 /nfs/dbraw/zinc/27/30/35/136273035.db2.gz NVKOAUMECDAGON-JTQLQIEISA-N 1 0 247.302 0.037 20 30 BCEDRO CC#CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000278983425 187240980 /nfs/dbraw/zinc/24/09/80/187240980.db2.gz YTHJMTJPANGEKZ-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C[C@@H](CNC(=O)C1(C#N)CC(C)C1)[NH+](C)C ZINC000122348142 343159249 /nfs/dbraw/zinc/15/92/49/343159249.db2.gz INVMMHSLLQQJEC-YZRBJQDESA-N 1 0 223.320 0.993 20 30 BCEDRO C#CCN(CC#C)[C@H](C)C(=O)NCCCC ZINC000299442091 136272678 /nfs/dbraw/zinc/27/26/78/136272678.db2.gz YJDQTGHWTDEACC-GFCCVEGCSA-N 1 0 220.316 0.860 20 30 BCEDRO CNC(=[NH2+])NC[C@H](CO)c1ccccc1 ZINC000178560684 136274780 /nfs/dbraw/zinc/27/47/80/136274780.db2.gz DTFLGGNVWXKQMM-SNVBAGLBSA-N 1 0 207.277 0.297 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(COC)cc1 ZINC000264094937 136281371 /nfs/dbraw/zinc/28/13/71/136281371.db2.gz MFZFGWMHAOSHCD-UHFFFAOYSA-N 1 0 207.277 0.867 20 30 BCEDRO C=CCOCCn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641029874 362142579 /nfs/dbraw/zinc/14/25/79/362142579.db2.gz LFMBGXOAQRJKTC-LLVKDONJSA-N 1 0 236.319 0.633 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418698560 192061974 /nfs/dbraw/zinc/06/19/74/192061974.db2.gz NCZPBZPPURKKOW-LPEHRKFASA-N 1 0 229.324 0.348 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000363375245 343241312 /nfs/dbraw/zinc/24/13/12/343241312.db2.gz RHGNJPTVKMTLAN-SNVBAGLBSA-N 1 0 209.293 0.662 20 30 BCEDRO CC[C@@H](C#N)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000366298614 136280484 /nfs/dbraw/zinc/28/04/84/136280484.db2.gz IZWBVEHLTUMVAY-WDEREUQCSA-N 1 0 221.304 0.747 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000366300295 136280534 /nfs/dbraw/zinc/28/05/34/136280534.db2.gz YSBSQYFOXOTVJK-WDEREUQCSA-N 1 0 240.303 0.450 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000366300291 136280588 /nfs/dbraw/zinc/28/05/88/136280588.db2.gz YSBSQYFOXOTVJK-MNOVXSKESA-N 1 0 240.303 0.450 20 30 BCEDRO C[C@@H](Cn1cccn1)[NH2+]CCOCCC#N ZINC000293298218 136289390 /nfs/dbraw/zinc/28/93/90/136289390.db2.gz ZGTWPXIQAJUVOF-NSHDSACASA-N 1 0 222.292 0.791 20 30 BCEDRO C[C@@H](CC#N)[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000602871732 349803836 /nfs/dbraw/zinc/80/38/36/349803836.db2.gz VKTSJIDIMYTIDN-UWVGGRQHSA-N 1 0 212.293 0.544 20 30 BCEDRO C=CCN(C)CC(=O)N(C)Cc1cnn(C)c1 ZINC000121361633 343266898 /nfs/dbraw/zinc/26/68/98/343266898.db2.gz MNCQJWLTDSBGAZ-UHFFFAOYSA-N 1 0 236.319 0.496 20 30 BCEDRO C=C(C)C[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000120063191 136292399 /nfs/dbraw/zinc/29/23/99/136292399.db2.gz DOMROIWYKLKKNM-UHFFFAOYSA-N 1 0 237.303 0.579 20 30 BCEDRO Cc1noc(CCCNC2=[NH+]C[C@H](C)N2)n1 ZINC000284939811 136287108 /nfs/dbraw/zinc/28/71/08/136287108.db2.gz DBSFKIADQRDTLM-ZETCQYMHSA-N 1 0 223.280 0.248 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@H](O)c1ccc(F)cc1 ZINC000285030726 136287536 /nfs/dbraw/zinc/28/75/36/136287536.db2.gz JVJSFTKBDAMETN-LLVKDONJSA-N 1 0 237.278 0.750 20 30 BCEDRO CC[N@H+]1[C@H](C)CN(CC(=O)NCC#N)C[C@@H]1C ZINC000602874065 349805923 /nfs/dbraw/zinc/80/59/23/349805923.db2.gz ODROGXUKVZTRIF-PHIMTYICSA-N 1 0 238.335 0.041 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000621378300 343381487 /nfs/dbraw/zinc/38/14/87/343381487.db2.gz SWPLRLXANPEUTK-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CCCCC#N ZINC000602908410 349806824 /nfs/dbraw/zinc/80/68/24/349806824.db2.gz PFNQLOFNNFYIJU-WDEREUQCSA-N 1 0 212.293 0.498 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000669555151 488215932 /nfs/dbraw/zinc/21/59/32/488215932.db2.gz CCIXPIZOUJOJCX-MNOVXSKESA-N 1 0 241.335 0.629 20 30 BCEDRO C=CCOCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000669555266 488215937 /nfs/dbraw/zinc/21/59/37/488215937.db2.gz MKWROSPXVIZGGJ-VIFPVBQESA-N 1 0 215.297 0.083 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000619905461 343408033 /nfs/dbraw/zinc/40/80/33/343408033.db2.gz UJUVPMBQJUTYEL-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@H](O)[C@H]2CCOC2)o1 ZINC000344483938 343416346 /nfs/dbraw/zinc/41/63/46/343416346.db2.gz VGQIPVYAEWRWMM-CABZTGNLSA-N 1 0 236.271 0.638 20 30 BCEDRO Cc1n[nH]cc1C[NH2+]C1CCN(CC#N)CC1 ZINC000609334761 343418928 /nfs/dbraw/zinc/41/89/28/343418928.db2.gz GGUXAOFNKKLDHW-UHFFFAOYSA-N 1 0 233.319 0.796 20 30 BCEDRO C=C(C)[C@H](CO)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000641083292 362203771 /nfs/dbraw/zinc/20/37/71/362203771.db2.gz ANVBVAPGSSGLBT-JQWIXIFHSA-N 1 0 236.319 0.855 20 30 BCEDRO C=C(C)[C@H](CO)n1cc([C@H](C)[NH2+]C)nn1 ZINC000641083429 362204085 /nfs/dbraw/zinc/20/40/85/362204085.db2.gz BLKULAMLFZWLPL-WPRPVWTQSA-N 1 0 210.281 0.668 20 30 BCEDRO C=C(C)[C@H](CO)n1cc(C[NH2+]C2CC2)nn1 ZINC000641084774 362207212 /nfs/dbraw/zinc/20/72/12/362207212.db2.gz RYALOVCOQNBHQA-NSHDSACASA-N 1 0 222.292 0.640 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000669555456 488216802 /nfs/dbraw/zinc/21/68/02/488216802.db2.gz ZPHXHMGFECNDSN-VIFPVBQESA-N 1 0 215.297 0.226 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000616419679 343429747 /nfs/dbraw/zinc/42/97/47/343429747.db2.gz WCKZBINEIYXXRG-HBNTYKKESA-N 1 0 224.304 0.086 20 30 BCEDRO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCO[C@H]2C)N(C)C1 ZINC000329003217 136364449 /nfs/dbraw/zinc/36/44/49/136364449.db2.gz YAFMXXZWNGZIEU-MMWGEVLESA-N 1 0 242.319 0.839 20 30 BCEDRO [O-]C(=[NH+][C@@H]1CCc2nc[nH]c2C1)N1CCC1 ZINC000329600564 136366576 /nfs/dbraw/zinc/36/65/76/136366576.db2.gz KEFLJIQSMVIQPQ-MRVPVSSYSA-N 1 0 220.276 0.887 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308925470 346941465 /nfs/dbraw/zinc/94/14/65/346941465.db2.gz DECHTLZDDNJRMK-UWVGGRQHSA-N 1 0 207.277 0.570 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCO[C@H](C)C2)N1 ZINC000262670287 136374589 /nfs/dbraw/zinc/37/45/89/136374589.db2.gz QQJJMHBGNIOBJK-OPRDCNLKSA-N 1 0 211.309 0.739 20 30 BCEDRO CN1CC[NH+]=C1NCCc1cn2c(n1)CCCC2 ZINC000262671300 136374600 /nfs/dbraw/zinc/37/46/00/136374600.db2.gz RCACXKSACYIEJP-UHFFFAOYSA-N 1 0 247.346 0.653 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCO[C@@H](C)C2)N1 ZINC000262670288 136374610 /nfs/dbraw/zinc/37/46/10/136374610.db2.gz QQJJMHBGNIOBJK-UTLUCORTSA-N 1 0 211.309 0.739 20 30 BCEDRO CCOC(=O)C[C@@H](O)CN(CC)CCC#N ZINC000135025411 343489094 /nfs/dbraw/zinc/48/90/94/343489094.db2.gz MZSZEWPXWOZQHJ-SNVBAGLBSA-N 1 0 228.292 0.536 20 30 BCEDRO C=CCCCNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000580551241 365756288 /nfs/dbraw/zinc/75/62/88/365756288.db2.gz GTHLIHMFNJOWDO-UWVGGRQHSA-N 1 0 241.335 0.311 20 30 BCEDRO COCCN(CCC#N)C[C@H]1CCOC1 ZINC000070846070 343513412 /nfs/dbraw/zinc/51/34/12/343513412.db2.gz OYJYKDHFWHEEMF-LLVKDONJSA-N 1 0 212.293 0.885 20 30 BCEDRO CC#CCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000632195934 343520938 /nfs/dbraw/zinc/52/09/38/343520938.db2.gz LIXMKADCXSDKNV-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccncc2)CC1 ZINC000040221756 187263412 /nfs/dbraw/zinc/26/34/12/187263412.db2.gz WTYOCPGMVIDERI-UHFFFAOYSA-N 1 0 244.298 0.799 20 30 BCEDRO N#Cc1cc(F)ccc1CN(CCO)CCO ZINC000071264598 343643304 /nfs/dbraw/zinc/64/33/04/343643304.db2.gz LJSPDPKXPQKEHU-UHFFFAOYSA-N 1 0 238.262 0.484 20 30 BCEDRO COC[C@](C)(CO)[NH2+]CCC(C)(C)C#N ZINC000602931676 349822496 /nfs/dbraw/zinc/82/24/96/349822496.db2.gz IVNAYVBKDGYIRG-NSHDSACASA-N 1 0 214.309 0.913 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000379870730 343645007 /nfs/dbraw/zinc/64/50/07/343645007.db2.gz QLHUSVOOEJFFMP-NXEZZACHSA-N 1 0 211.309 0.850 20 30 BCEDRO CCN(C[C@H](C)C#N)C[C@@H]1CCC(=O)N1 ZINC000379786412 343624882 /nfs/dbraw/zinc/62/48/82/343624882.db2.gz UJPFVRQCGWRGPF-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO N#Cc1cnc(N[C@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000071178038 343625324 /nfs/dbraw/zinc/62/53/24/343625324.db2.gz YRJCSCMAEPKBGC-VIFPVBQESA-N 1 0 229.287 0.997 20 30 BCEDRO CC(C)[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000071178818 343625353 /nfs/dbraw/zinc/62/53/53/343625353.db2.gz QHYJVGINISBUQH-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO CO[C@H]1C[N@H+](CC2(C#N)CC2)[C@@](C)(CO)C1 ZINC000602964238 349827321 /nfs/dbraw/zinc/82/73/21/349827321.db2.gz NQUOHTPDPJBAKG-GHMZBOCLSA-N 1 0 224.304 0.762 20 30 BCEDRO CO[C@@H]1C[N@H+](CCOCCC#N)[C@@](C)(CO)C1 ZINC000602963800 349826409 /nfs/dbraw/zinc/82/64/09/349826409.db2.gz IPLATKFCDYXLTD-NWDGAFQWSA-N 1 0 242.319 0.388 20 30 BCEDRO CCC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000380045846 343673123 /nfs/dbraw/zinc/67/31/23/343673123.db2.gz TXUKXJALGMOUHS-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C=CCN(C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000580583296 365793851 /nfs/dbraw/zinc/79/38/51/365793851.db2.gz WGGFRBZYCZUYND-LBPRGKRZSA-N 1 0 212.337 0.949 20 30 BCEDRO C[C@H]1C[C@@H](Nc2ccnc(C#N)n2)CC[N@@H+]1C ZINC000380067737 343675852 /nfs/dbraw/zinc/67/58/52/343675852.db2.gz ZHPBBGCDETXGRQ-UWVGGRQHSA-N 1 0 231.303 0.665 20 30 BCEDRO C[C@@H]1C[C@H](Nc2ccnc(C#N)n2)CC[N@@H+]1C ZINC000380067734 343675964 /nfs/dbraw/zinc/67/59/64/343675964.db2.gz ZHPBBGCDETXGRQ-NXEZZACHSA-N 1 0 231.303 0.665 20 30 BCEDRO N#Cc1cccc(NC(=O)C2([NH3+])CC2)c1 ZINC000083833889 343677211 /nfs/dbraw/zinc/67/72/11/343677211.db2.gz PEINLLDYIKLCLT-UHFFFAOYSA-N 1 0 201.229 0.988 20 30 BCEDRO CN(C(=O)c1cccc(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000071310131 343653852 /nfs/dbraw/zinc/65/38/52/343653852.db2.gz PPDBHBMONDLJHJ-LBPRGKRZSA-N 1 0 229.283 0.992 20 30 BCEDRO CC#CCN1C[C@H](OC)C[C@@]1(C)C(=O)OC ZINC000602953087 349828922 /nfs/dbraw/zinc/82/89/22/349828922.db2.gz PODNWTNIFYYXEA-PWSUYJOCSA-N 1 0 225.288 0.662 20 30 BCEDRO COCC[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000380007687 343669098 /nfs/dbraw/zinc/66/90/98/343669098.db2.gz LMBJAHICPOLDJR-JTQLQIEISA-N 1 0 214.309 0.865 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000491619468 259367656 /nfs/dbraw/zinc/36/76/56/259367656.db2.gz BBWJQUSZZJYXRV-STQMWFEESA-N 1 0 247.342 0.653 20 30 BCEDRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCOCCC#N ZINC000338952216 343692415 /nfs/dbraw/zinc/69/24/15/343692415.db2.gz CWVYDVBJFKXEKH-NSHDSACASA-N 1 0 239.319 0.517 20 30 BCEDRO CNC(=O)[C@H]1CCCC[N@@H+]1CCOCCC#N ZINC000338952215 343692816 /nfs/dbraw/zinc/69/28/16/343692816.db2.gz CWVYDVBJFKXEKH-LLVKDONJSA-N 1 0 239.319 0.517 20 30 BCEDRO N#CCCOCC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000339142051 343694809 /nfs/dbraw/zinc/69/48/09/343694809.db2.gz RXZYZQQPSHEAKJ-GHMZBOCLSA-N 1 0 228.292 0.046 20 30 BCEDRO C[C@H](CC#N)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000380115108 343680952 /nfs/dbraw/zinc/68/09/52/343680952.db2.gz PHJFXUPVMCERPB-MNOVXSKESA-N 1 0 211.309 0.599 20 30 BCEDRO C[C@@H]1CN(CCNc2nccc(C#N)n2)CCO1 ZINC000576226301 343724645 /nfs/dbraw/zinc/72/46/45/343724645.db2.gz SMXNFBUQLZXUII-SNVBAGLBSA-N 1 0 247.302 0.481 20 30 BCEDRO C[C@H](CCC[NH3+])NC(=O)Cc1ccc(C#N)nc1 ZINC000602493660 343768214 /nfs/dbraw/zinc/76/82/14/343768214.db2.gz DCURPRIVUQYFSO-SNVBAGLBSA-N 1 0 246.314 0.739 20 30 BCEDRO CC1(C)CN(C(=O)CCCC#N)CC[NH2+]1 ZINC000309113399 346967834 /nfs/dbraw/zinc/96/78/34/346967834.db2.gz KLWFYBDMPVIJDC-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@@H]([NH3+])CC ZINC000418727031 192065310 /nfs/dbraw/zinc/06/53/10/192065310.db2.gz MEKFLLLVIHVXMI-JTQLQIEISA-N 1 0 229.324 0.568 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000625700875 344040237 /nfs/dbraw/zinc/04/02/37/344040237.db2.gz FMKARKKSDRVZHF-VIFPVBQESA-N 1 0 222.292 0.506 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000625700283 344039374 /nfs/dbraw/zinc/03/93/74/344039374.db2.gz AYJGFWSAOMOXHA-JTQLQIEISA-N 1 0 232.349 0.434 20 30 BCEDRO C=C(C)CN(CC)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418754231 192066767 /nfs/dbraw/zinc/06/67/67/192066767.db2.gz AWHKIOBDZQCVAW-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418753203 192066639 /nfs/dbraw/zinc/06/66/39/192066639.db2.gz CUWQHFPVTDZSMB-MNOVXSKESA-N 1 0 240.351 0.154 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418786105 192067262 /nfs/dbraw/zinc/06/72/62/192067262.db2.gz INFYAQMLENWLQF-WDEREUQCSA-N 1 0 241.335 0.629 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418786104 192067305 /nfs/dbraw/zinc/06/73/05/192067305.db2.gz INFYAQMLENWLQF-QWRGUYRKSA-N 1 0 241.335 0.629 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418794694 192067790 /nfs/dbraw/zinc/06/77/90/192067790.db2.gz RMBFFDNNDNAQIS-VHSXEESVSA-N 1 0 209.293 0.436 20 30 BCEDRO C[NH2+][C@@H](C)c1cn(CC2(C#N)CC2)nn1 ZINC000603226484 349889061 /nfs/dbraw/zinc/88/90/61/349889061.db2.gz BQWROMOHTVCTNB-QMMMGPOBSA-N 1 0 205.265 0.862 20 30 BCEDRO CC1(C[NH2+]CCn2cnc(C#N)n2)CC1 ZINC000393607841 343899628 /nfs/dbraw/zinc/89/96/28/343899628.db2.gz ARPUNHJYUOTUCD-UHFFFAOYSA-N 1 0 205.265 0.539 20 30 BCEDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000334745769 343905010 /nfs/dbraw/zinc/90/50/10/343905010.db2.gz ADVSXVVYVVYKFO-CABZTGNLSA-N 1 0 219.288 0.852 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc([C@@H]([NH3+])CCC)nn1 ZINC000603232409 349892066 /nfs/dbraw/zinc/89/20/66/349892066.db2.gz DUGUECASINWUMC-WPRPVWTQSA-N 1 0 238.291 0.978 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418794695 192067755 /nfs/dbraw/zinc/06/77/55/192067755.db2.gz RMBFFDNNDNAQIS-ZJUUUORDSA-N 1 0 209.293 0.436 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1cncnc1 ZINC000336740701 537836560 /nfs/dbraw/zinc/83/65/60/537836560.db2.gz UTOZVHNJTWVBGY-SNVBAGLBSA-N 1 0 207.277 0.751 20 30 BCEDRO C=CCCOCC[NH2+][C@@H](C)CC(N)=O ZINC000090883840 343944053 /nfs/dbraw/zinc/94/40/53/343944053.db2.gz CVMHYOVCYSWIHE-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO N#Cc1cccc(NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])c1 ZINC000602605054 343933167 /nfs/dbraw/zinc/93/31/67/343933167.db2.gz SHPSGHNTXVYZNV-VXGBXAGGSA-N 1 0 245.282 0.861 20 30 BCEDRO C[NH+](C)CCOCCNc1nccc(C#N)n1 ZINC000234276458 343933949 /nfs/dbraw/zinc/93/39/49/343933949.db2.gz CAVQTVNYZJJIAE-UHFFFAOYSA-N 1 0 235.291 0.338 20 30 BCEDRO C=CCC[C@@H](O)Cn1cc(C[NH2+]C)nn1 ZINC000641211999 362272748 /nfs/dbraw/zinc/27/27/48/362272748.db2.gz DTIDJZWIEWJIPV-SNVBAGLBSA-N 1 0 210.281 0.325 20 30 BCEDRO C=CCC[C@H](O)Cn1cc(CC[NH3+])nn1 ZINC000641211800 362273068 /nfs/dbraw/zinc/27/30/68/362273068.db2.gz BZBDWBFRWHYYKH-JTQLQIEISA-N 1 0 210.281 0.106 20 30 BCEDRO C=CCC[C@@H](O)Cn1cc(CC[NH+](C)C)nn1 ZINC000641212354 362274060 /nfs/dbraw/zinc/27/40/60/362274060.db2.gz KBZNXJPUGGBDOH-GFCCVEGCSA-N 1 0 238.335 0.709 20 30 BCEDRO COCC[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000165699739 343963813 /nfs/dbraw/zinc/96/38/13/343963813.db2.gz GMWPHBPPEDBQDX-LLVKDONJSA-N 1 0 225.336 0.989 20 30 BCEDRO CN1CCOC[C@H]1CNC(=O)CC1(C#N)CC1 ZINC000600420962 343967768 /nfs/dbraw/zinc/96/77/68/343967768.db2.gz MHIPTKKTMIFOQB-SNVBAGLBSA-N 1 0 237.303 0.127 20 30 BCEDRO CN1CCOC[C@@H]1CNC(=O)CC1(C#N)CC1 ZINC000600420960 343967877 /nfs/dbraw/zinc/96/78/77/343967877.db2.gz MHIPTKKTMIFOQB-JTQLQIEISA-N 1 0 237.303 0.127 20 30 BCEDRO C=CC[C@@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000625703124 344046984 /nfs/dbraw/zinc/04/69/84/344046984.db2.gz YNZHXRRXICRWRM-GFCCVEGCSA-N 1 0 238.331 0.743 20 30 BCEDRO C[C@@H]1CC[C@](CO)([N@H+](C)CC(=O)NCC#N)C1 ZINC000187988690 259372636 /nfs/dbraw/zinc/37/26/36/259372636.db2.gz KJHUVTNMKZSHDD-PWSUYJOCSA-N 1 0 239.319 0.109 20 30 BCEDRO C[C@@H](NC(=O)[C@@H](C)C#N)C1CC[NH+](C)CC1 ZINC000396486427 347027953 /nfs/dbraw/zinc/02/79/53/347027953.db2.gz MNHOGPVTCSRVJD-VHSXEESVSA-N 1 0 223.320 0.993 20 30 BCEDRO C#CCSCC[NH2+]Cc1ccnn1C ZINC000165116877 166202640 /nfs/dbraw/zinc/20/26/40/166202640.db2.gz MPTUUNBHIYLGCP-UHFFFAOYSA-N 1 0 209.318 0.876 20 30 BCEDRO COCCN(CCC#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000395287046 344144111 /nfs/dbraw/zinc/14/41/11/344144111.db2.gz WZROVHWGPCBZCB-NSHDSACASA-N 1 0 239.319 0.327 20 30 BCEDRO CN(C)C(=O)C[NH2+]CC(C)(C)CCC#N ZINC000126631613 344181299 /nfs/dbraw/zinc/18/12/99/344181299.db2.gz KFENDDKKABWASK-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2ncnn2C)CC1 ZINC000151089393 187289392 /nfs/dbraw/zinc/28/93/92/187289392.db2.gz DPQBQWGJTYEJCI-UHFFFAOYSA-N 1 0 247.302 0.099 20 30 BCEDRO C=C1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000572657350 323069653 /nfs/dbraw/zinc/06/96/53/323069653.db2.gz CVHBDKOYNCQWAM-UHFFFAOYSA-N 1 0 224.304 0.544 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000128204544 344205009 /nfs/dbraw/zinc/20/50/09/344205009.db2.gz GWZFKLNTISNUEF-UWVGGRQHSA-N 1 0 228.336 0.803 20 30 BCEDRO COC[C@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000234786002 344256900 /nfs/dbraw/zinc/25/69/00/344256900.db2.gz GKIKOORMXJOMPO-VIFPVBQESA-N 1 0 226.301 0.717 20 30 BCEDRO CC(C)(C#N)CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600532020 344260280 /nfs/dbraw/zinc/26/02/80/344260280.db2.gz FFCUJPMGBIEVHD-SNVBAGLBSA-N 1 0 239.319 0.109 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)CSCC#N)CC[N@@H+]1C ZINC000408222461 344260740 /nfs/dbraw/zinc/26/07/40/344260740.db2.gz AONXDXXDZHKIHY-NXEZZACHSA-N 1 0 241.360 0.842 20 30 BCEDRO CC(C)(CC#N)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000600736292 344365728 /nfs/dbraw/zinc/36/57/28/344365728.db2.gz OKXKLDULHCUYIW-GFCCVEGCSA-N 1 0 239.363 0.973 20 30 BCEDRO C[C@@H]1COCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000619426230 344333105 /nfs/dbraw/zinc/33/31/05/344333105.db2.gz IGMLWCOZFCECST-DGCLKSJQSA-N 1 0 237.347 0.989 20 30 BCEDRO COC(=O)COCC[NH2+]C[C@H](C#N)CCC#N ZINC000600613989 344336786 /nfs/dbraw/zinc/33/67/86/344336786.db2.gz OTOMSAYFTPOEFK-JTQLQIEISA-N 1 0 239.275 0.209 20 30 BCEDRO CC(C)(CO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600739470 344366386 /nfs/dbraw/zinc/36/63/86/344366386.db2.gz RZXJQSLJOVRHTH-JTQLQIEISA-N 1 0 226.320 0.649 20 30 BCEDRO C[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)N(C)C ZINC000600740362 344367039 /nfs/dbraw/zinc/36/70/39/344367039.db2.gz XIBYRAYCDKCGLD-WDEREUQCSA-N 1 0 225.336 0.581 20 30 BCEDRO C[C@H](CCO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600741225 344367317 /nfs/dbraw/zinc/36/73/17/344367317.db2.gz CRHCNVQCNINMEY-GHMZBOCLSA-N 1 0 226.320 0.649 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCC2(O)CCC2)CC1 ZINC000600742629 344367339 /nfs/dbraw/zinc/36/73/39/344367339.db2.gz XLZWVPJEDZEVHT-LLVKDONJSA-N 1 0 238.331 0.936 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000600743028 344367390 /nfs/dbraw/zinc/36/73/90/344367390.db2.gz LCUUMFLZYKCFPF-SDDRHHMPSA-N 1 0 238.331 0.792 20 30 BCEDRO COC(=O)CCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600714616 344358573 /nfs/dbraw/zinc/35/85/73/344358573.db2.gz OCYAUTHKCCQADK-JTQLQIEISA-N 1 0 240.303 0.584 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCCn2ccnc2)CC1 ZINC000600714001 344362145 /nfs/dbraw/zinc/36/21/45/344362145.db2.gz NBYNMARRGZPCEU-LBPRGKRZSA-N 1 0 248.330 0.918 20 30 BCEDRO CCN(CC)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600713309 344362195 /nfs/dbraw/zinc/36/21/95/344362195.db2.gz HMUIHGSFBYZPDE-GFCCVEGCSA-N 1 0 239.363 0.973 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCn2ccnc2)CC1 ZINC000600719468 344362598 /nfs/dbraw/zinc/36/25/98/344362598.db2.gz STPIKHCBQYTNEU-NSHDSACASA-N 1 0 234.303 0.527 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000600723284 344363331 /nfs/dbraw/zinc/36/33/31/344363331.db2.gz XFNJMQMEUCKEBB-AAEUAGOBSA-N 1 0 249.358 0.867 20 30 BCEDRO COC[C@H](CCO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600744007 344368086 /nfs/dbraw/zinc/36/80/86/344368086.db2.gz NAZIRDQSMJLBCR-QWRGUYRKSA-N 1 0 242.319 0.028 20 30 BCEDRO C[C@H](C#N)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600727698 344364196 /nfs/dbraw/zinc/36/41/96/344364196.db2.gz QHVQVMIJIJHIPM-ZJUUUORDSA-N 1 0 207.277 0.790 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCC[C@H]2CO)CC1 ZINC000600746414 344368771 /nfs/dbraw/zinc/36/87/71/344368771.db2.gz JIICFHDBGSSMAB-SRVKXCTJSA-N 1 0 238.331 0.792 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000600746392 344368826 /nfs/dbraw/zinc/36/88/26/344368826.db2.gz JEQVAVNPJBEIMX-NWDGAFQWSA-N 1 0 238.331 0.792 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000600755246 344369339 /nfs/dbraw/zinc/36/93/39/344369339.db2.gz IOCBHEWHPAYNGP-RYUDHWBXSA-N 1 0 236.319 0.350 20 30 BCEDRO C/C=C\C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000600753466 344370454 /nfs/dbraw/zinc/37/04/54/344370454.db2.gz BCOZJCODJUOCBZ-DLRQAJBASA-N 1 0 211.309 0.358 20 30 BCEDRO C[C@H](CC#N)NC(=O)C[N@H+](C)C1CCC1 ZINC000600817849 344379575 /nfs/dbraw/zinc/37/95/75/344379575.db2.gz YPHWFWRQRWRRTA-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO C[NH2+]C1(CNC(=O)c2ccc(C#N)cn2)CCC1 ZINC000600825877 344381643 /nfs/dbraw/zinc/38/16/43/344381643.db2.gz VFGJBDMEQTYLLE-UHFFFAOYSA-N 1 0 244.298 0.825 20 30 BCEDRO COC[C@@H](CO)[NH2+]Cc1cc(C#N)cs1 ZINC000234866590 344403200 /nfs/dbraw/zinc/40/32/00/344403200.db2.gz GKIKOORMXJOMPO-SECBINFHSA-N 1 0 226.301 0.717 20 30 BCEDRO N#Cc1nccnc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000084614449 344446293 /nfs/dbraw/zinc/44/62/93/344446293.db2.gz DIQONVZNSSMNIL-IUCAKERBSA-N 1 0 215.260 0.004 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@@H](O)C(C)(C)C1 ZINC000380874886 344446557 /nfs/dbraw/zinc/44/65/57/344446557.db2.gz OAZOIEANJNHMLZ-NXEZZACHSA-N 1 0 227.304 0.807 20 30 BCEDRO N#Cc1cc(C[NH+]2CCC(C(N)=O)CC2)ccn1 ZINC000068765495 344492793 /nfs/dbraw/zinc/49/27/93/344492793.db2.gz ZQFZPKCUARZSOS-UHFFFAOYSA-N 1 0 244.298 0.651 20 30 BCEDRO C[C@](O)(CO)C[NH2+]Cc1cccc(C#N)c1 ZINC000085250979 344512876 /nfs/dbraw/zinc/51/28/76/344512876.db2.gz OXWCHNOCBMNOPJ-GFCCVEGCSA-N 1 0 220.272 0.391 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631112910 344517596 /nfs/dbraw/zinc/51/75/96/344517596.db2.gz YNJOCZPVOMWGLM-JTQLQIEISA-N 1 0 208.261 0.814 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C#N)o1 ZINC000135518038 344530361 /nfs/dbraw/zinc/53/03/61/344530361.db2.gz JOJWMZJNOMWNLZ-ZETCQYMHSA-N 1 0 207.233 0.505 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCC(N)=O)s1 ZINC000135523354 344532845 /nfs/dbraw/zinc/53/28/45/344532845.db2.gz VOZFRSQMSKXBIJ-UHFFFAOYSA-N 1 0 209.274 0.585 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)CCSC ZINC000152449008 344536160 /nfs/dbraw/zinc/53/61/60/344536160.db2.gz NWLUUJNCMZTVMS-UHFFFAOYSA-N 1 0 245.348 0.293 20 30 BCEDRO C[NH+](C)CCNC(=O)c1cccc(C#N)n1 ZINC000259080751 344538618 /nfs/dbraw/zinc/53/86/18/344538618.db2.gz XYWJWYQSVHNWBN-UHFFFAOYSA-N 1 0 218.260 0.245 20 30 BCEDRO N#CC[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000259198920 344551342 /nfs/dbraw/zinc/55/13/42/344551342.db2.gz ISGXCTOBPYVTNZ-ZDUSSCGKSA-N 1 0 237.347 0.944 20 30 BCEDRO C=CC1CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000641423654 362408133 /nfs/dbraw/zinc/40/81/33/362408133.db2.gz DKWNWBRBQSIJGI-SECBINFHSA-N 1 0 211.309 0.941 20 30 BCEDRO C[C@@H](CC#N)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000259843558 344694429 /nfs/dbraw/zinc/69/44/29/344694429.db2.gz FMKWJLCCPVHXPN-UWVGGRQHSA-N 1 0 209.293 0.889 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000259859175 344695317 /nfs/dbraw/zinc/69/53/17/344695317.db2.gz GJWJXRVCCJZNQD-MNOVXSKESA-N 1 0 223.320 0.993 20 30 BCEDRO C=CCN1CCCC[C@H]1c1nc(=O)[nH][nH]1 ZINC000289290243 344704746 /nfs/dbraw/zinc/70/47/46/344704746.db2.gz HDMDGPQJRQOYCQ-QMMMGPOBSA-N 1 0 208.265 0.811 20 30 BCEDRO CNC(=[NH2+])NCCCCNC(=O)OC(C)(C)C ZINC000305798118 530039566 /nfs/dbraw/zinc/03/95/66/530039566.db2.gz BPSOODDYEKBHFN-UHFFFAOYSA-N 1 0 244.339 0.825 20 30 BCEDRO C=CCCN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000075958546 344789074 /nfs/dbraw/zinc/78/90/74/344789074.db2.gz KIJDYGBDSXNCBN-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C[C@H](C#N)Sc1nnnn1CC[NH+](C)C ZINC000076923001 344808166 /nfs/dbraw/zinc/80/81/66/344808166.db2.gz XSFHKQWUIHBGTH-SSDOTTSWSA-N 1 0 226.309 0.239 20 30 BCEDRO C=CCCC[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000077176938 344810282 /nfs/dbraw/zinc/81/02/82/344810282.db2.gz OZZFOGZTZCFVJZ-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000562980791 323077819 /nfs/dbraw/zinc/07/78/19/323077819.db2.gz LSBRWAJLEXCHOH-GVXVVHGQSA-N 1 0 238.331 0.836 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(OC)CC1 ZINC000042567608 344868354 /nfs/dbraw/zinc/86/83/54/344868354.db2.gz AMWGCIWRIPICBZ-SNVBAGLBSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000153477327 344885140 /nfs/dbraw/zinc/88/51/40/344885140.db2.gz DUJSWDPFERMVFC-UTUOFQBUSA-N 1 0 229.320 0.395 20 30 BCEDRO CCCc1nc(CON=C(N)CCO)no1 ZINC000121373151 344922697 /nfs/dbraw/zinc/92/26/97/344922697.db2.gz YPGHFUAXDACUOQ-UHFFFAOYSA-N 1 0 228.252 0.193 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000330445588 344920480 /nfs/dbraw/zinc/92/04/80/344920480.db2.gz HANDYDULPQJNRY-UWVGGRQHSA-N 1 0 212.293 0.303 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000122219908 344951245 /nfs/dbraw/zinc/95/12/45/344951245.db2.gz ZOWIYUBRXMBGMW-FRRDWIJNSA-N 1 0 245.326 0.875 20 30 BCEDRO C[C@H](C#N)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000408273478 345008919 /nfs/dbraw/zinc/00/89/19/345008919.db2.gz DDJJZCVXBGRLKX-UTLUCORTSA-N 1 0 209.293 0.745 20 30 BCEDRO COC(=O)CC1([NH2+]CCCC#N)CCOCC1 ZINC000154523178 345040431 /nfs/dbraw/zinc/04/04/31/345040431.db2.gz OEJJPYCTLMMYCR-UHFFFAOYSA-N 1 0 240.303 0.992 20 30 BCEDRO C#CCSCCNC(NC1CC1)=[NH+]C ZINC000125458140 345079848 /nfs/dbraw/zinc/07/98/48/345079848.db2.gz UYBBJGGNVSLDRN-UHFFFAOYSA-N 1 0 211.334 0.680 20 30 BCEDRO C=CCN1CC[C@@H](N(C)CC23CC(C2)C[NH2+]3)C1=O ZINC000634994700 345182881 /nfs/dbraw/zinc/18/28/81/345182881.db2.gz KUDMANUCDCKGAC-MBHSVXNSSA-N 1 0 249.358 0.457 20 30 BCEDRO CN(CC#N)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080611098 345355334 /nfs/dbraw/zinc/35/53/34/345355334.db2.gz DAEFDHVIFYOYJC-MNOVXSKESA-N 1 0 221.304 0.843 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H]1C ZINC000248328383 345361475 /nfs/dbraw/zinc/36/14/75/345361475.db2.gz CTABDBUOPOGCAI-DCAQKATOSA-N 1 0 208.305 0.855 20 30 BCEDRO C[NH+]1CCN(Cc2cccc(C#N)n2)CC1 ZINC000260712056 345379519 /nfs/dbraw/zinc/37/95/19/345379519.db2.gz BQJGXJHVOLJUSL-UHFFFAOYSA-N 1 0 216.288 0.701 20 30 BCEDRO CC[C@H](C(=O)NC1(C#N)CCC1)[NH+](C)C ZINC000408472095 345329892 /nfs/dbraw/zinc/32/98/92/345329892.db2.gz UGSAQOUJNOYCGC-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000159372279 345428996 /nfs/dbraw/zinc/42/89/96/345428996.db2.gz LZEDXWGCDBSXIS-GFCCVEGCSA-N 1 0 237.347 0.587 20 30 BCEDRO C[C@H]([NH3+])CNS(=O)(=O)c1cccc(C#N)c1 ZINC000082575032 345439226 /nfs/dbraw/zinc/43/92/26/345439226.db2.gz JGDJKLSLIDSQRI-QMMMGPOBSA-N 1 0 239.300 0.184 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000248645505 345445147 /nfs/dbraw/zinc/44/51/47/345445147.db2.gz SIWRDGFHQGUFDF-GARJFASQSA-N 1 0 244.360 0.561 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000248645507 345445223 /nfs/dbraw/zinc/44/52/23/345445223.db2.gz SIWRDGFHQGUFDF-HBNTYKKESA-N 1 0 244.360 0.561 20 30 BCEDRO C#CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080655479 345395410 /nfs/dbraw/zinc/39/54/10/345395410.db2.gz WHWWBFKYQCOSJT-MNOVXSKESA-N 1 0 206.289 0.610 20 30 BCEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)NC1CC1 ZINC000083053669 345508174 /nfs/dbraw/zinc/50/81/74/345508174.db2.gz UFZIVSHRKUQHPP-UHFFFAOYSA-N 1 0 236.275 0.206 20 30 BCEDRO CCNC(=[NH2+])NC[C@@](C)(O)c1ccsc1 ZINC000081665128 345484261 /nfs/dbraw/zinc/48/42/61/345484261.db2.gz UDBHMEKAMYWHHE-SNVBAGLBSA-N 1 0 227.333 0.880 20 30 BCEDRO C=CCCC[NH+]1CCN(C(=O)NC)CC1 ZINC000084715546 345520190 /nfs/dbraw/zinc/52/01/90/345520190.db2.gz AXODTAXMGSAALU-UHFFFAOYSA-N 1 0 211.309 0.910 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)N1CCC[C@H]1C[NH3+] ZINC000418894090 192088852 /nfs/dbraw/zinc/08/88/52/192088852.db2.gz YOIYXRNQUCNRDJ-JTQLQIEISA-N 1 0 239.319 0.019 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000092843960 345644564 /nfs/dbraw/zinc/64/45/64/345644564.db2.gz IMEXIZLKBVONMQ-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C#CC[N@@H+]1C[C@H](C(=O)NCCOC)CC[C@@H]1C ZINC000144309748 345708777 /nfs/dbraw/zinc/70/87/77/345708777.db2.gz IDFGQAPZAZMZOQ-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO CC#CC[NH2+][C@@H]1CCO[C@@H]1c1nc(C)no1 ZINC000626143802 345726147 /nfs/dbraw/zinc/72/61/47/345726147.db2.gz GDPSFWGVCHVVTR-ZJUUUORDSA-N 1 0 221.260 0.821 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000166458320 166216676 /nfs/dbraw/zinc/21/66/76/166216676.db2.gz UJSNLLWAMOELNA-QMMMGPOBSA-N 1 0 206.245 0.913 20 30 BCEDRO CN1CC[NH+]=C1NCCCc1ccccn1 ZINC000285110297 133563316 /nfs/dbraw/zinc/56/33/16/133563316.db2.gz PDFMPBLVDCWAEX-UHFFFAOYSA-N 1 0 218.304 0.905 20 30 BCEDRO C[NH+]1CCN(Cc2ccncc2C#N)CC1 ZINC000261315838 345796313 /nfs/dbraw/zinc/79/63/13/345796313.db2.gz BHRQQAZTQDHDOR-UHFFFAOYSA-N 1 0 216.288 0.701 20 30 BCEDRO Cc1cc(C#N)ccc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000235763158 345852894 /nfs/dbraw/zinc/85/28/94/345852894.db2.gz VADVANXIAFIGNW-STQMWFEESA-N 1 0 232.283 0.404 20 30 BCEDRO C=C(C)COCCNC(=O)[C@@H](C)[NH+](C)C ZINC000635689771 345974069 /nfs/dbraw/zinc/97/40/69/345974069.db2.gz OBIQRTSPCCXFON-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO CC[C@@H]1[C@@H](C(=O)N[C@@H](C)C#N)CC[N@@H+]1C ZINC000601018963 345996547 /nfs/dbraw/zinc/99/65/47/345996547.db2.gz ZLPSGWGHLMMKCS-LPEHRKFASA-N 1 0 209.293 0.745 20 30 BCEDRO CC#CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635747384 346047150 /nfs/dbraw/zinc/04/71/50/346047150.db2.gz QNHWNVFWMPKNTK-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO CC#CCCNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635778624 346063060 /nfs/dbraw/zinc/06/30/60/346063060.db2.gz MSFPLFUELGYFIV-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635992444 346142803 /nfs/dbraw/zinc/14/28/03/346142803.db2.gz SLJWHYHSZONGKF-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO CC#CCN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000635969490 346127665 /nfs/dbraw/zinc/12/76/65/346127665.db2.gz GIGPYPFILJYXFW-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C=C[C@H](NC1CC[NH+](CC)CC1)C(=O)OC ZINC000381782246 346269269 /nfs/dbraw/zinc/26/92/69/346269269.db2.gz YDVKPJCQQCFCRC-NSHDSACASA-N 1 0 226.320 0.788 20 30 BCEDRO C=C[C@@H](NC1CC[NH+](CC)CC1)C(=O)OC ZINC000381782245 346269375 /nfs/dbraw/zinc/26/93/75/346269375.db2.gz YDVKPJCQQCFCRC-LLVKDONJSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636102393 346319814 /nfs/dbraw/zinc/31/98/14/346319814.db2.gz VORUTOFJYTUPNH-AXFHLTTASA-N 1 0 224.304 0.276 20 30 BCEDRO C=CCCC[C@@H](C)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419130174 192100750 /nfs/dbraw/zinc/10/07/50/192100750.db2.gz AXIVWGGYJHMUNV-SNVBAGLBSA-N 1 0 241.335 0.265 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1ccn(C)c1 ZINC000641767293 362700871 /nfs/dbraw/zinc/70/08/71/362700871.db2.gz IJCGYLZJAAGFBN-GFCCVEGCSA-N 1 0 206.289 0.889 20 30 BCEDRO C=C[C@H](CO)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000636229280 346363275 /nfs/dbraw/zinc/36/32/75/346363275.db2.gz LZDKNKRYXXFDMN-LLVKDONJSA-N 1 0 238.331 0.526 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1snnc1C ZINC000641767605 362702514 /nfs/dbraw/zinc/70/25/14/362702514.db2.gz MPLLGWWAPAAUDQ-VIFPVBQESA-N 1 0 225.317 0.710 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cnc2cnccn12 ZINC000641767617 362702842 /nfs/dbraw/zinc/70/28/42/362702842.db2.gz MSSNSAIVYNDVSO-NSHDSACASA-N 1 0 244.298 0.593 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1c[nH]nc1C ZINC000641768816 362706684 /nfs/dbraw/zinc/70/66/84/362706684.db2.gz JCMGOBUSPDCHKB-NSHDSACASA-N 1 0 207.277 0.582 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000666608920 537971788 /nfs/dbraw/zinc/97/17/88/537971788.db2.gz NVWBIWJTPULCJY-VWYCJHECSA-N 1 0 224.304 0.276 20 30 BCEDRO C=CC[C@H](CC)NC(=O)C(=O)NCCC[NH2+]C ZINC000419145147 192101565 /nfs/dbraw/zinc/10/15/65/192101565.db2.gz YIYRBMVGXLCHSG-JTQLQIEISA-N 1 0 241.335 0.183 20 30 BCEDRO N#CCCCNc1cc[nH+]cc1C(N)=O ZINC000380024357 365812507 /nfs/dbraw/zinc/81/25/07/365812507.db2.gz XUIJNSDPVQIZLN-UHFFFAOYSA-N 1 0 204.233 0.318 20 30 BCEDRO C#CCNC(=[NH2+])NCc1ccccc1OC ZINC000170907001 346478365 /nfs/dbraw/zinc/47/83/65/346478365.db2.gz QGUDASXUUDVEEW-UHFFFAOYSA-N 1 0 217.272 0.733 20 30 BCEDRO CN(C)C(=[NH2+])NCCCNC(=O)OC(C)(C)C ZINC000170910654 346478731 /nfs/dbraw/zinc/47/87/31/346478731.db2.gz AMLKIRRWEFSIPB-UHFFFAOYSA-N 1 0 244.339 0.778 20 30 BCEDRO CN(C)C(=[NH2+])NCCN(C)C(=O)OC(C)(C)C ZINC000170914430 346479216 /nfs/dbraw/zinc/47/92/16/346479216.db2.gz XSRCLXORBPKLFB-UHFFFAOYSA-N 1 0 244.339 0.730 20 30 BCEDRO Cn1nnnc1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000381825157 346511851 /nfs/dbraw/zinc/51/18/51/346511851.db2.gz MCPSUYIUPKYIBD-RKDXNWHRSA-N 1 0 220.280 0.034 20 30 BCEDRO C=CCN1CC[C@@H](N(C)[C@@H]2CC[NH2+]C2)C1=O ZINC000580075514 346513376 /nfs/dbraw/zinc/51/33/76/346513376.db2.gz FNUUEKVTPYSFDQ-GHMZBOCLSA-N 1 0 223.320 0.067 20 30 BCEDRO C=CCN1CC[C@H](N[C@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000641801414 362755224 /nfs/dbraw/zinc/75/52/24/362755224.db2.gz QMSBNEAJTDGYGC-AXFHLTTASA-N 1 0 237.347 0.489 20 30 BCEDRO C[NH+]1CCN(CCNc2cncc(C#N)n2)CC1 ZINC000401226523 346490316 /nfs/dbraw/zinc/49/03/16/346490316.db2.gz XSSHGXPYWLQBSL-UHFFFAOYSA-N 1 0 246.318 0.008 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCCS(=O)(=O)N(C)C ZINC000577121614 365825221 /nfs/dbraw/zinc/82/52/21/365825221.db2.gz GQPLXVRATUHJQF-JTQLQIEISA-N 1 0 247.364 0.550 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000491122064 346587600 /nfs/dbraw/zinc/58/76/00/346587600.db2.gz SXWNFICGSMOFTP-NWDGAFQWSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000377273607 346616418 /nfs/dbraw/zinc/61/64/18/346616418.db2.gz PLBQHVRBGZDTRF-ZYHUDNBSSA-N 1 0 224.304 0.446 20 30 BCEDRO N#Cc1cnccc1N[C@H]1CCc2cncn2C1 ZINC000588067762 346632467 /nfs/dbraw/zinc/63/24/67/346632467.db2.gz NQQGBYPPDGUTNY-NSHDSACASA-N 1 0 239.282 0.999 20 30 BCEDRO N#Cc1nccnc1N[C@H]1CCc2cncn2C1 ZINC000588067798 346632539 /nfs/dbraw/zinc/63/25/39/346632539.db2.gz QMRHDEZQHOEOGG-VIFPVBQESA-N 1 0 240.270 0.972 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1cc(O)cc(C#N)c1 ZINC000589188941 346672275 /nfs/dbraw/zinc/67/22/75/346672275.db2.gz SBRSOEYXIWLHOK-UHFFFAOYSA-N 1 0 247.298 0.897 20 30 BCEDRO C[N@@H+]1CCN(c2cncc(C#N)n2)CC1(C)C ZINC000401351425 346636483 /nfs/dbraw/zinc/63/64/83/346636483.db2.gz XTYDPDJNHDLSTN-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO CC[N@@H+]1CCCN(c2nccc(C#N)n2)CC1 ZINC000307894027 346706674 /nfs/dbraw/zinc/70/66/74/346706674.db2.gz IQHJMHLGHMXVFV-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO N#CCN1CCC([NH2+][C@H]2CCCOC2)CC1 ZINC000167448587 346709180 /nfs/dbraw/zinc/70/91/80/346709180.db2.gz CJBRHONBCSCDRN-LBPRGKRZSA-N 1 0 223.320 0.743 20 30 BCEDRO C[C@H](CNC(=O)c1cccc(C#N)n1)[NH+](C)C ZINC000589299031 346686446 /nfs/dbraw/zinc/68/64/46/346686446.db2.gz GOFRGTRUXLVKAI-SECBINFHSA-N 1 0 232.287 0.633 20 30 BCEDRO CCc1nc(C#N)cc(N2CCC[NH2+]CC2)n1 ZINC000308245798 346762040 /nfs/dbraw/zinc/76/20/40/346762040.db2.gz ZMFDYSCJTWWLLP-UHFFFAOYSA-N 1 0 231.303 0.710 20 30 BCEDRO N#CCNC(=O)C[NH+]1CCC(C2CC2)CC1 ZINC000590008147 346762668 /nfs/dbraw/zinc/76/26/68/346762668.db2.gz GJQOQUOKLJECII-UHFFFAOYSA-N 1 0 221.304 0.748 20 30 BCEDRO CCc1nc(C#N)cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000308242440 346765126 /nfs/dbraw/zinc/76/51/26/346765126.db2.gz NQSCKNXVWIPLES-NXEZZACHSA-N 1 0 243.314 0.566 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCCC#N)[C@H]2C1 ZINC000590046961 346767545 /nfs/dbraw/zinc/76/75/45/346767545.db2.gz QAULENGIVLPYHE-MNOVXSKESA-N 1 0 221.304 0.843 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1c1ccc(C#N)nn1 ZINC000590146881 346781079 /nfs/dbraw/zinc/78/10/79/346781079.db2.gz SLLOSTLOQXYZKQ-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CC[C@H](CC)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000580661016 365857298 /nfs/dbraw/zinc/85/72/98/365857298.db2.gz ZYXQJQKONOFGLE-JTQLQIEISA-N 1 0 241.335 0.265 20 30 BCEDRO Cc1cc(C#N)cnc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000590153379 346783821 /nfs/dbraw/zinc/78/38/21/346783821.db2.gz XGXBASXNWQFPRY-SNVBAGLBSA-N 1 0 246.314 0.942 20 30 BCEDRO N#C[C@H]1CC[C@H]([N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000590162469 346785353 /nfs/dbraw/zinc/78/53/53/346785353.db2.gz MBWYJXLOJSIAOF-XWLWVQCSSA-N 1 0 210.277 0.106 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)C3(C#N)CCC3)[C@@H]2C1 ZINC000590440739 347114430 /nfs/dbraw/zinc/11/44/30/347114430.db2.gz BGRQSEWZXPBRRW-WDEREUQCSA-N 1 0 233.315 0.843 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000309609071 347121489 /nfs/dbraw/zinc/12/14/89/347121489.db2.gz YVLAWOLHEINEKV-WDEREUQCSA-N 1 0 219.292 0.950 20 30 BCEDRO C=CCOCCC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000309732069 347151296 /nfs/dbraw/zinc/15/12/96/347151296.db2.gz BIOCOZOSYVRLDB-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCN1CCC([NH2+][C@@H](C)CC(N)=O)CC1 ZINC000309782532 347163180 /nfs/dbraw/zinc/16/31/80/347163180.db2.gz ROAXCQVVRRHCRI-JTQLQIEISA-N 1 0 225.336 0.490 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(C(C)(C)O)cc1 ZINC000186886351 347242148 /nfs/dbraw/zinc/24/21/48/347242148.db2.gz SQYDRFKJZLNPFE-UHFFFAOYSA-N 1 0 221.304 0.948 20 30 BCEDRO CC[C@H](CC#N)NS(=O)(=O)CCC[NH+](C)C ZINC000601392895 347303680 /nfs/dbraw/zinc/30/36/80/347303680.db2.gz VUQYHCBYCCPNDY-SNVBAGLBSA-N 1 0 247.364 0.550 20 30 BCEDRO C=C1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000382590295 347368050 /nfs/dbraw/zinc/36/80/50/347368050.db2.gz FEYCAXGZNGFYGV-WDEREUQCSA-N 1 0 224.304 0.542 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]C1CC(F)(F)C1 ZINC000582118149 347384324 /nfs/dbraw/zinc/38/43/24/347384324.db2.gz ZXNURESVYCVGEM-SNVBAGLBSA-N 1 0 247.289 0.580 20 30 BCEDRO C#C[C@@H](C)NC(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000364415818 347418880 /nfs/dbraw/zinc/41/88/80/347418880.db2.gz DWEYMFOXMUUWOI-PWSUYJOCSA-N 1 0 240.372 0.952 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(NC(C)=O)cc1 ZINC000195522238 347457373 /nfs/dbraw/zinc/45/73/73/347457373.db2.gz UHPWYZIIBQQDLX-UHFFFAOYSA-N 1 0 220.276 0.679 20 30 BCEDRO CC(C)(O)C[N@@H+]1CCCN(CCC#N)CC1 ZINC000364618598 347465786 /nfs/dbraw/zinc/46/57/86/347465786.db2.gz YFWVIITUJJPLQK-UHFFFAOYSA-N 1 0 225.336 0.679 20 30 BCEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)CSCC#N ZINC000590566169 347469813 /nfs/dbraw/zinc/46/98/13/347469813.db2.gz FWAANPPWLSYSKK-ZJUUUORDSA-N 1 0 241.360 0.794 20 30 BCEDRO C=CC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC1 ZINC000111259305 347473072 /nfs/dbraw/zinc/47/30/72/347473072.db2.gz LGGSFFIEETYNNI-VIFPVBQESA-N 1 0 239.319 0.729 20 30 BCEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)NCC(=O)OC ZINC000276390694 166261537 /nfs/dbraw/zinc/26/15/37/166261537.db2.gz JFIYYUYNJCQTEZ-SECBINFHSA-N 1 0 228.292 0.172 20 30 BCEDRO COc1cc(C#N)ccc1OCC(=O)NCC[NH3+] ZINC000577227902 365890988 /nfs/dbraw/zinc/89/09/88/365890988.db2.gz IFIDGSDEDJDGLT-UHFFFAOYSA-N 1 0 249.270 0.021 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)NCC[N@H+]1CC=CCC1 ZINC000590751167 347503521 /nfs/dbraw/zinc/50/35/21/347503521.db2.gz NXDVGHUEMHUALU-DGCLKSJQSA-N 1 0 233.315 0.914 20 30 BCEDRO CCCCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591241586 347633215 /nfs/dbraw/zinc/63/32/15/347633215.db2.gz KYXMOBFYRDVDJC-LBPRGKRZSA-N 1 0 227.352 0.973 20 30 BCEDRO C=CCSCCNC(=O)NCC[NH2+]C1CC1 ZINC000591348120 347642275 /nfs/dbraw/zinc/64/22/75/347642275.db2.gz QHYNBTZKEYODOQ-UHFFFAOYSA-N 1 0 243.376 0.957 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591358753 347645372 /nfs/dbraw/zinc/64/53/72/347645372.db2.gz AKTCXPGOXYMSSA-WDEREUQCSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000591691961 347690126 /nfs/dbraw/zinc/69/01/26/347690126.db2.gz GGKSMWREMHZHSS-HRDYMLBCSA-N 1 0 210.281 0.325 20 30 BCEDRO CS[C@H](C)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000591757178 347691491 /nfs/dbraw/zinc/69/14/91/347691491.db2.gz PEGUVTBEYICMHS-GHMZBOCLSA-N 1 0 245.392 0.534 20 30 BCEDRO CCOCC[C@H](O)C[NH2+]CCCC#N ZINC000591759430 347691991 /nfs/dbraw/zinc/69/19/91/347691991.db2.gz NJVMAWQMXFSFEV-JTQLQIEISA-N 1 0 200.282 0.667 20 30 BCEDRO COC[C@@H](C)OC[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759618 347692805 /nfs/dbraw/zinc/69/28/05/347692805.db2.gz QCKNYRNOOGQVHO-GHMZBOCLSA-N 1 0 244.335 0.538 20 30 BCEDRO N#Cc1cncnc1N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000591909807 347715365 /nfs/dbraw/zinc/71/53/65/347715365.db2.gz WUKKWOZMOOCNKD-LBPRGKRZSA-N 1 0 243.314 0.666 20 30 BCEDRO N#Cc1cncnc1N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000591909806 347715419 /nfs/dbraw/zinc/71/54/19/347715419.db2.gz WUKKWOZMOOCNKD-GFCCVEGCSA-N 1 0 243.314 0.666 20 30 BCEDRO CC(C)([NH3+])CC(=O)Nc1n[nH]cc1C#N ZINC000592256923 347764691 /nfs/dbraw/zinc/76/46/91/347764691.db2.gz QJEMTKLSGITPKN-UHFFFAOYSA-N 1 0 207.237 0.347 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc[nH]c1=O ZINC000592070069 347727574 /nfs/dbraw/zinc/72/75/74/347727574.db2.gz DOSJFCWSBRMUQF-QMMMGPOBSA-N 1 0 234.259 0.747 20 30 BCEDRO CNC(=O)[C@@H](NCc1ccncc1C#N)C(C)C ZINC000592103994 347733885 /nfs/dbraw/zinc/73/38/85/347733885.db2.gz INSCASMYFXHTDY-LBPRGKRZSA-N 1 0 246.314 0.813 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150611 347741935 /nfs/dbraw/zinc/74/19/35/347741935.db2.gz FBUOESLIQKJQQT-MNOVXSKESA-N 1 0 210.277 0.274 20 30 BCEDRO N#CC[C@]1(O)CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000592151051 347742624 /nfs/dbraw/zinc/74/26/24/347742624.db2.gz JSEPMIXTSSAWDF-MNOVXSKESA-N 1 0 210.277 0.516 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CCOCC2CC2)C1 ZINC000592152180 347743160 /nfs/dbraw/zinc/74/31/60/347743160.db2.gz VJTZNJFINXEPHE-GFCCVEGCSA-N 1 0 224.304 0.763 20 30 BCEDRO CCOCC[C@@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152790 347743624 /nfs/dbraw/zinc/74/36/24/347743624.db2.gz DEGIXQPUZCZVIA-NEPJUHHUSA-N 1 0 242.319 0.124 20 30 BCEDRO CC(C)[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592154566 347744227 /nfs/dbraw/zinc/74/42/27/347744227.db2.gz UEPAPYFGGPFLEH-GHMZBOCLSA-N 1 0 212.293 0.354 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CCOC2CCC2)C1 ZINC000592155245 347745078 /nfs/dbraw/zinc/74/50/78/347745078.db2.gz ZFASBPREPOTGFB-GFCCVEGCSA-N 1 0 224.304 0.906 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CCOC2CCC2)C1 ZINC000592155247 347745494 /nfs/dbraw/zinc/74/54/94/347745494.db2.gz ZFASBPREPOTGFB-LBPRGKRZSA-N 1 0 224.304 0.906 20 30 BCEDRO Cc1nn(C[C@@H]2CC[NH2+]C2)c(=O)c(C#N)c1C ZINC000592159561 347746018 /nfs/dbraw/zinc/74/60/18/347746018.db2.gz OYOFOFFHOHIOLK-SNVBAGLBSA-N 1 0 232.287 0.341 20 30 BCEDRO C=CCCC[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592193489 347749274 /nfs/dbraw/zinc/74/92/74/347749274.db2.gz ANYVGSBIEFTMBD-QWRGUYRKSA-N 1 0 227.304 0.808 20 30 BCEDRO C=C(CC)C[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592203314 347754589 /nfs/dbraw/zinc/75/45/89/347754589.db2.gz GHKAJEQDWQXOMC-WDEREUQCSA-N 1 0 227.304 0.808 20 30 BCEDRO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@@H](C)CCC#N)C1 ZINC000592203928 347755362 /nfs/dbraw/zinc/75/53/62/347755362.db2.gz HZCBEZBXVDOKNJ-AXFHLTTASA-N 1 0 240.303 0.534 20 30 BCEDRO COC(=O)[C@@H]1C[C@H](O)C[N@@H+]([C@H](C)CCC#N)C1 ZINC000592203933 347756038 /nfs/dbraw/zinc/75/60/38/347756038.db2.gz HZCBEZBXVDOKNJ-MXWKQRLJSA-N 1 0 240.303 0.534 20 30 BCEDRO CC#CCC[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592209174 347757952 /nfs/dbraw/zinc/75/79/52/347757952.db2.gz VODZHPHKOIGAMT-WDEREUQCSA-N 1 0 225.288 0.256 20 30 BCEDRO C=CCN(C)C(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592549035 347799822 /nfs/dbraw/zinc/79/98/22/347799822.db2.gz OTHQQVQMCQINLB-SNVBAGLBSA-N 1 0 248.330 0.977 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N(CC#N)CC#N)CC[N@@H+]1C ZINC000592755869 347814831 /nfs/dbraw/zinc/81/48/31/347814831.db2.gz DLSCUMHMUXOQFH-NXEZZACHSA-N 1 0 220.276 0.202 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N2CCOC[C@H]2C#N)CC[N@@H+]1C ZINC000592767240 347816024 /nfs/dbraw/zinc/81/60/24/347816024.db2.gz QJWHHVFFRNXDRO-GMTAPVOTSA-N 1 0 237.303 0.078 20 30 BCEDRO N#CCC[NH2+]C[C@H](CO)Cc1ccco1 ZINC000592430803 347785887 /nfs/dbraw/zinc/78/58/87/347785887.db2.gz GOHZMGRYHQOVID-SNVBAGLBSA-N 1 0 208.261 0.934 20 30 BCEDRO N#Cc1cnccc1CN1CCC([NH3+])CC1 ZINC000592469575 347789243 /nfs/dbraw/zinc/78/92/43/347789243.db2.gz QOSVVJNHKVUZNN-UHFFFAOYSA-N 1 0 216.288 0.876 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000593029960 347841837 /nfs/dbraw/zinc/84/18/37/347841837.db2.gz XRYOEDPAPRWXCW-NXEZZACHSA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCC[C@@H](C)[NH3+] ZINC000178700917 166273623 /nfs/dbraw/zinc/27/36/23/166273623.db2.gz BLVFHDFDXBPLDA-ZJUUUORDSA-N 1 0 214.309 0.821 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000593028344 347847148 /nfs/dbraw/zinc/84/71/48/347847148.db2.gz BEUUHLZKZYJBAR-JQWIXIFHSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+]C1(CC(=O)OC)CC1 ZINC000593059059 347848641 /nfs/dbraw/zinc/84/86/41/347848641.db2.gz WHQGCUVNQFAZRJ-SNVBAGLBSA-N 1 0 227.304 0.999 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178789717 166274648 /nfs/dbraw/zinc/27/46/48/166274648.db2.gz QNPGXEUWUWMYSK-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO N#CCCCC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593098340 347855107 /nfs/dbraw/zinc/85/51/07/347855107.db2.gz VZITXQJCKNDNFX-BHDSKKPTSA-N 1 0 212.318 0.885 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593098800 347856184 /nfs/dbraw/zinc/85/61/84/347856184.db2.gz DPANASHPZPBOIG-BHDSKKPTSA-N 1 0 215.318 0.394 20 30 BCEDRO COCC[N@@H+]1CCN(CCC#N)C(C)(C)C1 ZINC000593100411 347856719 /nfs/dbraw/zinc/85/67/19/347856719.db2.gz PEGPIYFYQYHCSQ-UHFFFAOYSA-N 1 0 225.336 0.943 20 30 BCEDRO COCC[N@@H+]1CCN(CC#N)C(C)(C)C1 ZINC000593101832 347857423 /nfs/dbraw/zinc/85/74/23/347857423.db2.gz ZZGJYMIPFMDRQM-UHFFFAOYSA-N 1 0 211.309 0.553 20 30 BCEDRO C=CCC[N@@H+]1C[C@H](C)O[C@H](C(=O)OC)C1 ZINC000593087881 347863883 /nfs/dbraw/zinc/86/38/83/347863883.db2.gz UZVHGVPDPQOXIL-UWVGGRQHSA-N 1 0 213.277 0.825 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000577385671 365941573 /nfs/dbraw/zinc/94/15/73/365941573.db2.gz MKBVVMMIHPCXHV-VHSXEESVSA-N 1 0 232.349 0.949 20 30 BCEDRO C[NH2+]CCNC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593713182 347935571 /nfs/dbraw/zinc/93/55/71/347935571.db2.gz WJBGROSEVRQDOG-UHFFFAOYSA-N 1 0 244.298 0.803 20 30 BCEDRO N#Cc1csc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)n1 ZINC000593669644 347924574 /nfs/dbraw/zinc/92/45/74/347924574.db2.gz ADDWJHSYILEHFS-KNVOCYPGSA-N 1 0 236.300 0.368 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cc1 ZINC000593670124 347924889 /nfs/dbraw/zinc/92/48/89/347924889.db2.gz LVLVRQNQZNLMKO-TXEJJXNPSA-N 1 0 229.283 0.912 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000593670091 347925159 /nfs/dbraw/zinc/92/51/59/347925159.db2.gz JJRXMFPUTPLBQO-AXTSPUMRSA-N 1 0 207.277 0.532 20 30 BCEDRO Cc1nc(C(=O)N(C)[C@H](C)C[NH3+])ccc1C#N ZINC000593903085 347967448 /nfs/dbraw/zinc/96/74/48/347967448.db2.gz NUSDEJJCIQZSGW-MRVPVSSYSA-N 1 0 232.287 0.681 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2CCC[NH2+]2)CCCC1 ZINC000593904135 347967967 /nfs/dbraw/zinc/96/79/67/347967967.db2.gz MFVWBTCJMAXDJK-SNVBAGLBSA-N 1 0 221.304 0.939 20 30 BCEDRO N#CCc1cccc(C(=O)NCC2C[NH2+]C2)c1 ZINC000593905701 347968818 /nfs/dbraw/zinc/96/88/18/347968818.db2.gz MVTMCNUHLRAGDY-UHFFFAOYSA-N 1 0 229.283 0.702 20 30 BCEDRO Cc1nc(C(=O)N2C[C@@H](C)[C@@H]([NH3+])C2)ccc1C#N ZINC000593908703 347969576 /nfs/dbraw/zinc/96/95/76/347969576.db2.gz WSUJKBPYDVTRQS-KCJUWKMLSA-N 1 0 244.298 0.681 20 30 BCEDRO N#Cc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000593947824 347977333 /nfs/dbraw/zinc/97/73/33/347977333.db2.gz ZESYBQFFKXJQCV-RYUDHWBXSA-N 1 0 228.299 0.604 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CC[C@](F)(C#N)C1 ZINC000593973155 347985823 /nfs/dbraw/zinc/98/58/23/347985823.db2.gz MEPNEXNWRHRVHG-MNOVXSKESA-N 1 0 229.299 0.237 20 30 BCEDRO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000594013967 347989134 /nfs/dbraw/zinc/98/91/34/347989134.db2.gz BJRKBJYOBCXQBG-NSHDSACASA-N 1 0 244.298 0.521 20 30 BCEDRO Cn1cncc1CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000594016079 347989871 /nfs/dbraw/zinc/98/98/71/347989871.db2.gz SOOYGQLNWBSACN-ZDUSSCGKSA-N 1 0 248.330 0.703 20 30 BCEDRO N#CC1(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000594026040 347992160 /nfs/dbraw/zinc/99/21/60/347992160.db2.gz XVPXEKGDAYNBIG-WDEREUQCSA-N 1 0 221.304 0.041 20 30 BCEDRO C[C@H](CCC#N)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026069 347992230 /nfs/dbraw/zinc/99/22/30/347992230.db2.gz ZLLDAQHLMMMUJO-GRYCIOLGSA-N 1 0 223.320 0.429 20 30 BCEDRO N#Cc1ccc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)nc1 ZINC000593990819 347980404 /nfs/dbraw/zinc/98/04/04/347980404.db2.gz RYPOXQYDIWICOE-ITGUQSILSA-N 1 0 229.283 0.623 20 30 BCEDRO N#Cc1nccc(N[C@@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000594550169 348067465 /nfs/dbraw/zinc/06/74/65/348067465.db2.gz MUBXOZJZNLDRDA-LLVKDONJSA-N 1 0 243.314 0.666 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NCC2(C#N)CC2)C1 ZINC000594353947 348038763 /nfs/dbraw/zinc/03/87/63/348038763.db2.gz NIUPPZTYXANBBL-SNVBAGLBSA-N 1 0 221.304 0.748 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1nncs1 ZINC000594428111 348044849 /nfs/dbraw/zinc/04/48/49/348044849.db2.gz ZJVSOTVQASUQDX-SSDOTTSWSA-N 1 0 239.304 0.888 20 30 BCEDRO C[C@@H]1C[C@H]1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594429161 348044978 /nfs/dbraw/zinc/04/49/78/348044978.db2.gz RCRHDWCMSMJSAP-OPRDCNLKSA-N 1 0 209.293 0.922 20 30 BCEDRO CSCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594428393 348045015 /nfs/dbraw/zinc/04/50/15/348045015.db2.gz YQTFYYJMBPQEGJ-VIFPVBQESA-N 1 0 229.349 0.877 20 30 BCEDRO COC[C@@H](C)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594430706 348046135 /nfs/dbraw/zinc/04/61/35/348046135.db2.gz BEFKOSRDDLKUHE-WDEREUQCSA-N 1 0 241.335 0.796 20 30 BCEDRO CN(C(=O)CCCCC#N)[C@@H]1CC[NH2+]C1 ZINC000594424351 348051195 /nfs/dbraw/zinc/05/11/95/348051195.db2.gz BHOHOTUEUDYYTI-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO N#CCCCCC(=O)NCC[NH2+]C1CC1 ZINC000594425689 348051989 /nfs/dbraw/zinc/05/19/89/348051989.db2.gz MBEDNBFAQKGPAX-UHFFFAOYSA-N 1 0 209.293 0.939 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cncnc1 ZINC000594469406 348053953 /nfs/dbraw/zinc/05/39/53/348053953.db2.gz WJSKDIWCNGTOPN-SNVBAGLBSA-N 1 0 233.275 0.826 20 30 BCEDRO CC(C)OCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439035 348054230 /nfs/dbraw/zinc/05/42/30/348054230.db2.gz ZHOGWISZXJTQEC-NSHDSACASA-N 1 0 241.335 0.939 20 30 BCEDRO CN1CCN(C(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594439143 348054249 /nfs/dbraw/zinc/05/42/49/348054249.db2.gz OXNSRCAFFRZWKB-LLVKDONJSA-N 1 0 238.335 0.172 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccncc1 ZINC000594446830 348056239 /nfs/dbraw/zinc/05/62/39/348056239.db2.gz XOLGFLRVOKZYBG-NSHDSACASA-N 1 0 232.287 0.853 20 30 BCEDRO Cc1ccn(C[C@H]2C[NH2+]CCO2)c(=O)c1C#N ZINC000594695716 348100798 /nfs/dbraw/zinc/10/07/98/348100798.db2.gz IJSNMKHLSJZWAL-SNVBAGLBSA-N 1 0 233.271 0.017 20 30 BCEDRO COc1cc(OC[C@H]2C[NH2+]CCO2)ccc1C#N ZINC000594697449 348100874 /nfs/dbraw/zinc/10/08/74/348100874.db2.gz VYLBVWQFVQXLTJ-GFCCVEGCSA-N 1 0 248.282 0.934 20 30 BCEDRO COC[C@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC000594718319 348106893 /nfs/dbraw/zinc/10/68/93/348106893.db2.gz ODZDHSHVRJVBRE-CYBMUJFWSA-N 1 0 234.299 0.698 20 30 BCEDRO N#Cc1ccc(CC[NH2+]CCC(N)=O)cc1 ZINC000594718229 348106900 /nfs/dbraw/zinc/10/69/00/348106900.db2.gz LCGYQGRTQWYFNI-UHFFFAOYSA-N 1 0 217.272 0.566 20 30 BCEDRO CC[C@@H]([NH3+])c1cn(CCn2cc(C#N)cn2)nn1 ZINC000594645132 348086475 /nfs/dbraw/zinc/08/64/75/348086475.db2.gz KMFLTIOKLMDWIQ-SNVBAGLBSA-N 1 0 245.290 0.456 20 30 BCEDRO N#Cc1ccccc1-n1cc(C[C@@H]([NH3+])CO)nn1 ZINC000594652201 348090624 /nfs/dbraw/zinc/09/06/24/348090624.db2.gz PSCJXZMMONFSME-SNVBAGLBSA-N 1 0 243.270 0.001 20 30 BCEDRO C[C@@H]([NH3+])Cn1cc(-c2cncc(C#N)c2)nn1 ZINC000594657683 348093407 /nfs/dbraw/zinc/09/34/07/348093407.db2.gz ZDBQLOWVHKVVEF-MRVPVSSYSA-N 1 0 228.259 0.559 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+]CC1(CC#N)CC1 ZINC000595048528 348179972 /nfs/dbraw/zinc/17/99/72/348179972.db2.gz HIKCIYJDQSXWHC-SNVBAGLBSA-N 1 0 219.292 0.950 20 30 BCEDRO Cc1ncc(C[NH2+]C2CCN(CC#N)CC2)n1C ZINC000594928513 348139133 /nfs/dbraw/zinc/13/91/33/348139133.db2.gz ZSOIASPZTRTXER-UHFFFAOYSA-N 1 0 247.346 0.806 20 30 BCEDRO N#CC1(c2ccc(C[NH2+]C[C@H](O)CO)cc2)CC1 ZINC000594938587 348142392 /nfs/dbraw/zinc/14/23/92/348142392.db2.gz MVWWNJQBIRLZHS-ZDUSSCGKSA-N 1 0 246.310 0.685 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594941977 348143904 /nfs/dbraw/zinc/14/39/04/348143904.db2.gz FBQAGTBSNSWCHY-BBBLOLIVSA-N 1 0 240.303 0.076 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594994995 348167834 /nfs/dbraw/zinc/16/78/34/348167834.db2.gz JQMNYHSIKTYQMV-KYXWUPHJSA-N 1 0 213.277 0.321 20 30 BCEDRO C[NH2+]CC(=O)NCC1(C#N)CCCCC1 ZINC000595258492 348205691 /nfs/dbraw/zinc/20/56/91/348205691.db2.gz NXXJUJAHYRRETC-UHFFFAOYSA-N 1 0 209.293 0.796 20 30 BCEDRO N#CC1(CNC(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CC1 ZINC000595263685 348206972 /nfs/dbraw/zinc/20/69/72/348206972.db2.gz XQPILMRTLKYUNX-RKDXNWHRSA-N 1 0 240.282 0.371 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000595264699 348207600 /nfs/dbraw/zinc/20/76/00/348207600.db2.gz FVODARXFIWOCGI-PWSUYJOCSA-N 1 0 236.319 0.669 20 30 BCEDRO CCC[NH2+]CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595265678 348207652 /nfs/dbraw/zinc/20/76/52/348207652.db2.gz SSCZIFIYEQTNHE-GFCCVEGCSA-N 1 0 238.335 0.931 20 30 BCEDRO N#CCCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000595265043 348207754 /nfs/dbraw/zinc/20/77/54/348207754.db2.gz WIYQWFIXSKSBBK-UHFFFAOYSA-N 1 0 222.292 0.423 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)NCC(C)(C)C#N ZINC000595264868 348207759 /nfs/dbraw/zinc/20/77/59/348207759.db2.gz SZMNRTJQCOTMLZ-MRVPVSSYSA-N 1 0 212.297 0.443 20 30 BCEDRO CN(CCC[NH3+])C(=O)NCC(C)(C)C#N ZINC000595265066 348207857 /nfs/dbraw/zinc/20/78/57/348207857.db2.gz XIURXOSNYMMXGW-UHFFFAOYSA-N 1 0 212.297 0.526 20 30 BCEDRO C[NH2+]CCNC(=O)NCC1(C#N)CCCCC1 ZINC000595266985 348209090 /nfs/dbraw/zinc/20/90/90/348209090.db2.gz DMDOOFFGLANTBV-UHFFFAOYSA-N 1 0 238.335 0.979 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595274096 348210719 /nfs/dbraw/zinc/21/07/19/348210719.db2.gz QKVLMWQEMMJXEZ-QXEWZRGKSA-N 1 0 224.308 0.667 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595275066 348211214 /nfs/dbraw/zinc/21/12/14/348211214.db2.gz FSACDZGDNBXSMP-GXSJLCMTSA-N 1 0 224.308 0.539 20 30 BCEDRO CC[N@H+](CCc1ccc(C#N)cc1)CC(N)=O ZINC000595458511 348256275 /nfs/dbraw/zinc/25/62/75/348256275.db2.gz SGHSNJXIMRSVRI-UHFFFAOYSA-N 1 0 231.299 0.908 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[C@H]1C ZINC000491749526 362857498 /nfs/dbraw/zinc/85/74/98/362857498.db2.gz SXVGKNMBIFHABS-VXGBXAGGSA-N 1 0 237.347 0.897 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)NCCCCC#N ZINC000595489878 348261320 /nfs/dbraw/zinc/26/13/20/348261320.db2.gz VLZWPLWSBFPOKL-UHFFFAOYSA-N 1 0 238.335 0.883 20 30 BCEDRO COCC1([NH2+]CCOCCC#N)CCOCC1 ZINC000595502505 348263816 /nfs/dbraw/zinc/26/38/16/348263816.db2.gz YUXONOKIHUGAQP-UHFFFAOYSA-N 1 0 242.319 0.702 20 30 BCEDRO C[N@H+](CCCC#N)[C@H]1CCN2CCO[C@H]1C2 ZINC000595507756 348265139 /nfs/dbraw/zinc/26/51/39/348265139.db2.gz QGFQIAWVVWMKOF-RYUDHWBXSA-N 1 0 223.320 0.695 20 30 BCEDRO N#Cc1ccc(CC[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000595538730 348276647 /nfs/dbraw/zinc/27/66/47/348276647.db2.gz JQTKBCRNYYFLLF-UONOGXRCSA-N 1 0 246.310 0.386 20 30 BCEDRO CC#CCN1C[C@@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419319277 192120841 /nfs/dbraw/zinc/12/08/41/192120841.db2.gz CKWGNTTVUPMXCM-NWDGAFQWSA-N 1 0 210.321 0.397 20 30 BCEDRO C=CC[N@H+](C[C@@](C)(O)C(=O)OC)[C@@H](C)COC ZINC000595639829 348303361 /nfs/dbraw/zinc/30/33/61/348303361.db2.gz XGCJNRDMTLFMKI-CMPLNLGQSA-N 1 0 245.319 0.433 20 30 BCEDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000595670780 348309244 /nfs/dbraw/zinc/30/92/44/348309244.db2.gz CTARGEQWBUKUSF-QWRGUYRKSA-N 1 0 239.319 0.109 20 30 BCEDRO N#CC1(C[N@@H+]2CC[C@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC000595728163 348329193 /nfs/dbraw/zinc/32/91/93/348329193.db2.gz KLHIPQPJKYTJIF-GHMZBOCLSA-N 1 0 233.315 0.891 20 30 BCEDRO N#CCNC(=O)C[N@H+]1CCC[C@@H](CCF)C1 ZINC000595754364 348342062 /nfs/dbraw/zinc/34/20/62/348342062.db2.gz AJSSBEYINIMDQJ-JTQLQIEISA-N 1 0 227.283 0.698 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H](C)C(=O)NC(N)=O ZINC000595841141 348376216 /nfs/dbraw/zinc/37/62/16/348376216.db2.gz IIHDVNYGBDIIFB-LPEHRKFASA-N 1 0 237.303 0.753 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC000268660022 166298089 /nfs/dbraw/zinc/29/80/89/166298089.db2.gz RAYMVKUOTSGHIC-SNVBAGLBSA-N 1 0 214.309 0.334 20 30 BCEDRO CCN(C[C@@H](O)C[N@H+](C)C(C)C)[C@@H](C)C#N ZINC000595821378 348363334 /nfs/dbraw/zinc/36/33/34/348363334.db2.gz UWDYXDZRJHGQDD-RYUDHWBXSA-N 1 0 227.352 0.921 20 30 BCEDRO N#CCCOCC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000595826491 348364010 /nfs/dbraw/zinc/36/40/10/348364010.db2.gz CXRMEDZKQAIJJX-VXGBXAGGSA-N 1 0 224.304 0.885 20 30 BCEDRO N#Cc1ccc(CCNC(=O)C[NH3+])cc1 ZINC000595960472 348405418 /nfs/dbraw/zinc/40/54/18/348405418.db2.gz GCSLGNOZZOWJID-UHFFFAOYSA-N 1 0 203.245 0.176 20 30 BCEDRO C[C@@H]([NH3+])CC(=O)NCCc1ccc(C#N)cc1 ZINC000595938132 348408859 /nfs/dbraw/zinc/40/88/59/348408859.db2.gz MEKWPCKRJGNMPB-SNVBAGLBSA-N 1 0 231.299 0.954 20 30 BCEDRO N#CC1(CNC(=O)COCC[NH3+])CCCCC1 ZINC000595944749 348410734 /nfs/dbraw/zinc/41/07/34/348410734.db2.gz WUENCPQJKLTIIS-UHFFFAOYSA-N 1 0 239.319 0.552 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C2([NH3+])CCC2)C1 ZINC000595980083 348415231 /nfs/dbraw/zinc/41/52/31/348415231.db2.gz FLZPVDPIGVIZTE-SNVBAGLBSA-N 1 0 207.277 0.630 20 30 BCEDRO CC(C)([NH3+])CC(=O)N1CC[C@](C)(C#N)C1 ZINC000595980459 348415237 /nfs/dbraw/zinc/41/52/37/348415237.db2.gz INSXEEIMHQIONK-LLVKDONJSA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000595981123 348415911 /nfs/dbraw/zinc/41/59/11/348415911.db2.gz MWGGYUPGWCCQER-CMPLNLGQSA-N 1 0 221.304 0.876 20 30 BCEDRO CSCC[C@H]([NH3+])C(=O)N1CC[C@](C)(C#N)C1 ZINC000595981861 348416595 /nfs/dbraw/zinc/41/65/95/348416595.db2.gz QYPNXBVUBWBZGJ-GXSJLCMTSA-N 1 0 241.360 0.829 20 30 BCEDRO CSCC[C@@H]([NH3+])C(=O)N1CC[C@](C)(C#N)C1 ZINC000595981871 348416904 /nfs/dbraw/zinc/41/69/04/348416904.db2.gz QYPNXBVUBWBZGJ-MWLCHTKSSA-N 1 0 241.360 0.829 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000595982499 348417237 /nfs/dbraw/zinc/41/72/37/348417237.db2.gz WKXJDOCYCGXQDL-RAIGVLPGSA-N 1 0 233.315 0.748 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000595982040 348417439 /nfs/dbraw/zinc/41/74/39/348417439.db2.gz RPWDQKRXMSKVQA-CMPLNLGQSA-N 1 0 237.303 0.127 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000595982467 348417505 /nfs/dbraw/zinc/41/75/05/348417505.db2.gz VPDGWYBLHATEEV-PWSUYJOCSA-N 1 0 221.304 0.748 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)C1(C#N)CCCC1 ZINC000595984279 348418052 /nfs/dbraw/zinc/41/80/52/348418052.db2.gz QXQCKXZRGIPDKP-VIFPVBQESA-N 1 0 209.293 0.794 20 30 BCEDRO CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595983129 348418464 /nfs/dbraw/zinc/41/84/64/348418464.db2.gz YRGCMSVWCVZWNF-JQWIXIFHSA-N 1 0 239.319 0.501 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(C#N)cc1 ZINC000595985079 348419279 /nfs/dbraw/zinc/41/92/79/348419279.db2.gz VJKRYOBPKXEKIF-SECBINFHSA-N 1 0 217.272 0.896 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@@H](C)C(=O)OC)CCC[NH2+]1 ZINC000595930039 348392511 /nfs/dbraw/zinc/39/25/11/348392511.db2.gz MMRAJSJKXLFIBX-JOYOIKCWSA-N 1 0 240.303 0.362 20 30 BCEDRO N#Cc1sccc1N1CCN(CC[NH3+])CC1 ZINC000595902750 348395533 /nfs/dbraw/zinc/39/55/33/348395533.db2.gz NBJWHCKXIZEDKC-UHFFFAOYSA-N 1 0 236.344 0.700 20 30 BCEDRO C[NH2+]C[C@@](C)(O)CN1CC[C@@](C)(C#N)C1 ZINC000595904661 348396064 /nfs/dbraw/zinc/39/60/64/348396064.db2.gz KCDYXPLYNVAAMY-WDEREUQCSA-N 1 0 211.309 0.192 20 30 BCEDRO C[NH+](C)CCC[C@H]1CN(CC#N)CCO1 ZINC000595905656 348396221 /nfs/dbraw/zinc/39/62/21/348396221.db2.gz FHLWTOMPUBQJNP-NSHDSACASA-N 1 0 211.309 0.553 20 30 BCEDRO CC(C)([NH3+])c1noc(CN2CC[C@@](C)(C#N)C2)n1 ZINC000595905075 348396225 /nfs/dbraw/zinc/39/62/25/348396225.db2.gz PTXTXNCPQXGANB-LBPRGKRZSA-N 1 0 249.318 0.999 20 30 BCEDRO C[C@@]1(F)C[NH2+]CCN(c2ncncc2C#N)C1 ZINC000596014410 348430009 /nfs/dbraw/zinc/43/00/09/348430009.db2.gz PFVJIEFGDQXKIN-LLVKDONJSA-N 1 0 235.266 0.486 20 30 BCEDRO N#Cc1cnc(N[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000596015716 348430620 /nfs/dbraw/zinc/43/06/20/348430620.db2.gz HHTKZRXDEIUGRW-MRVPVSSYSA-N 1 0 206.224 0.866 20 30 BCEDRO C[NH2+]C1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000596016682 348431230 /nfs/dbraw/zinc/43/12/30/348431230.db2.gz UHRPQQRFOZUTDQ-UHFFFAOYSA-N 1 0 231.303 0.724 20 30 BCEDRO Cn1ncc(C#N)c1N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000596106667 348440839 /nfs/dbraw/zinc/44/08/39/348440839.db2.gz VJAWNHGLVSLXGR-GFCCVEGCSA-N 1 0 245.330 0.966 20 30 BCEDRO Cn1ncc(C#N)c1NC1CC[NH+](C)CC1 ZINC000596063002 348436137 /nfs/dbraw/zinc/43/61/37/348436137.db2.gz WCOZYQYGNWAUIU-UHFFFAOYSA-N 1 0 219.292 0.798 20 30 BCEDRO C[C@@H]1CN(CCNc2c(C#N)cnn2C)CCO1 ZINC000596102480 348439603 /nfs/dbraw/zinc/43/96/03/348439603.db2.gz UGRGVEIQPWWGFJ-SNVBAGLBSA-N 1 0 249.318 0.424 20 30 BCEDRO N#Cc1ccc(N2CC[C@@H](F)[C@H]([NH3+])C2)nc1N ZINC000596024830 348424716 /nfs/dbraw/zinc/42/47/16/348424716.db2.gz ZYCDRKAMLKJYPW-RKDXNWHRSA-N 1 0 235.266 0.411 20 30 BCEDRO Cn1ncc(C#N)c1N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000596241485 348484386 /nfs/dbraw/zinc/48/43/86/348484386.db2.gz GHDYYWYQWBXICC-ZDUSSCGKSA-N 1 0 245.330 0.824 20 30 BCEDRO C[C@@H](C[NH+](C)C)Nc1c(C#N)cnn1C ZINC000596242976 348485290 /nfs/dbraw/zinc/48/52/90/348485290.db2.gz HQFFSDRSHHEDRF-QMMMGPOBSA-N 1 0 207.281 0.654 20 30 BCEDRO Cc1nsc(N[C@H](CO)C[NH+](C)C)c1C#N ZINC000596244121 348485828 /nfs/dbraw/zinc/48/58/28/348485828.db2.gz PKLYMNDOQVOYCN-QMMMGPOBSA-N 1 0 240.332 0.658 20 30 BCEDRO Cn1ncc(C#N)c1NC[C@](C)(O)C[NH+](C)C ZINC000596173381 348461661 /nfs/dbraw/zinc/46/16/61/348461661.db2.gz UNKWMPZEAGUHAF-NSHDSACASA-N 1 0 237.307 0.016 20 30 BCEDRO C=C(C)CN(C)C(=O)C(=O)NCC[NH2+]CCC ZINC000419913521 192148786 /nfs/dbraw/zinc/14/87/86/192148786.db2.gz ZMQNSUSNGAWSJI-UHFFFAOYSA-N 1 0 241.335 0.137 20 30 BCEDRO C=CCCN(C)C(=O)C(=O)NCC[NH2+]CCC ZINC000419913148 192149086 /nfs/dbraw/zinc/14/90/86/192149086.db2.gz YGPRQXLVALOGRT-UHFFFAOYSA-N 1 0 241.335 0.137 20 30 BCEDRO CC[NH+](CC)CCNC(=O)[C@@H](C)CC#N ZINC000596618610 348595074 /nfs/dbraw/zinc/59/50/74/348595074.db2.gz OUHLFLBEYRMNTM-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C[C@@H](CC#N)C(=O)NCC(C)(C)[NH+](C)C ZINC000596658071 348600081 /nfs/dbraw/zinc/60/00/81/348600081.db2.gz PHSTVRUUVKAVAZ-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO C=CCCCCNC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419993852 192155429 /nfs/dbraw/zinc/15/54/29/192155429.db2.gz KUBJQEHHBYSNEZ-JTQLQIEISA-N 1 0 241.335 0.312 20 30 BCEDRO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@@H](C)C#N)C1 ZINC000596552370 348576740 /nfs/dbraw/zinc/57/67/40/348576740.db2.gz WBRLOMOAPWNAEF-QWRGUYRKSA-N 1 0 238.335 0.930 20 30 BCEDRO COCC[N@H+](C)CCCNC(=O)[C@@H](C)CC#N ZINC000596795880 348623100 /nfs/dbraw/zinc/62/31/00/348623100.db2.gz YRCDWXBAALLECX-NSHDSACASA-N 1 0 241.335 0.621 20 30 BCEDRO C[C@@H](CC#N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000596855285 348627750 /nfs/dbraw/zinc/62/77/50/348627750.db2.gz TZAGDJWIDXOEJI-GXSJLCMTSA-N 1 0 223.320 0.993 20 30 BCEDRO N#Cc1cccc(C#N)c1N1CC[C@H]([NH3+])C1 ZINC000420156630 192164873 /nfs/dbraw/zinc/16/48/73/192164873.db2.gz ABEILUPROOJDNP-NSHDSACASA-N 1 0 212.256 0.967 20 30 BCEDRO C[C@]1(NC(=O)NCCCC#N)CC[NH2+]C1 ZINC000597432201 348735025 /nfs/dbraw/zinc/73/50/25/348735025.db2.gz KSFREFQHYBRWJC-JTQLQIEISA-N 1 0 210.281 0.341 20 30 BCEDRO C[C@@]1(NC(=O)NCC2(CC#N)CC2)CC[NH2+]C1 ZINC000597432698 348735338 /nfs/dbraw/zinc/73/53/38/348735338.db2.gz GUYSYMBHYXGQGV-LLVKDONJSA-N 1 0 236.319 0.731 20 30 BCEDRO C=CCSCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000597433761 348735380 /nfs/dbraw/zinc/73/53/80/348735380.db2.gz LOQUYONQPMEWNV-NSHDSACASA-N 1 0 243.376 0.957 20 30 BCEDRO C[C@@H](CC#N)C(=O)NCCCC[NH+](C)C ZINC000597224129 348694710 /nfs/dbraw/zinc/69/47/10/348694710.db2.gz YKSWOGIIRIEAEL-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NC(=O)[C@@H](C)CC#N ZINC000597225658 348695102 /nfs/dbraw/zinc/69/51/02/348695102.db2.gz FYCWQJMYLCKMAM-UWVGGRQHSA-N 1 0 211.309 0.993 20 30 BCEDRO N#CC1(CNC(=O)[C@H]2CCc3nc[nH]c3C2)CC1 ZINC000597609626 348769455 /nfs/dbraw/zinc/76/94/55/348769455.db2.gz KLOWAKGKTYPMRY-VIFPVBQESA-N 1 0 244.298 0.935 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1CC(C[NH+](C)C)C1 ZINC000597705282 348786353 /nfs/dbraw/zinc/78/63/53/348786353.db2.gz DTAIXRIIZDAYKF-VIFPVBQESA-N 1 0 209.293 0.556 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CC[C@@](F)(C#N)C2)CC1 ZINC000597548014 348755403 /nfs/dbraw/zinc/75/54/03/348755403.db2.gz MXSVPKZPIWPRBN-SNVBAGLBSA-N 1 0 225.267 0.545 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597992053 348851969 /nfs/dbraw/zinc/85/19/69/348851969.db2.gz IYRYWPPMBFWOEY-VHSXEESVSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H](C#N)N(C(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000598128678 348894362 /nfs/dbraw/zinc/89/43/62/348894362.db2.gz OGWNFDOBQVZSED-GXSJLCMTSA-N 1 0 221.304 0.984 20 30 BCEDRO C[C@H](C#N)N(C(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC000598129267 348895693 /nfs/dbraw/zinc/89/56/93/348895693.db2.gz TUKPBCJTEUGMGN-MWLCHTKSSA-N 1 0 237.303 0.220 20 30 BCEDRO COC[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598619204 349002190 /nfs/dbraw/zinc/00/21/90/349002190.db2.gz LXFBYFWPOMOZIJ-UWVGGRQHSA-N 1 0 214.309 0.912 20 30 BCEDRO CC[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H]1O ZINC000598598454 348992195 /nfs/dbraw/zinc/99/21/95/348992195.db2.gz FOLFNIWGIVNOMH-UTUOFQBUSA-N 1 0 240.347 0.990 20 30 BCEDRO C[NH+](C)CCC[C@@H]1CN(C(=O)CC#N)CCO1 ZINC000598541135 348992231 /nfs/dbraw/zinc/99/22/31/348992231.db2.gz SPVBLMPYUYWMOM-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H]1O ZINC000598599494 348992811 /nfs/dbraw/zinc/99/28/11/348992811.db2.gz JJYFEWCUXZLHKX-MXWKQRLJSA-N 1 0 226.320 0.600 20 30 BCEDRO CC(C)[C@@H]1CN(C(=O)[C@H](C)C#N)CC[NH2+]1 ZINC000598572022 348993310 /nfs/dbraw/zinc/99/33/10/348993310.db2.gz KALQNZUDCIDFKM-ZJUUUORDSA-N 1 0 209.293 0.602 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[NH2+]1 ZINC000598569717 348993553 /nfs/dbraw/zinc/99/35/53/348993553.db2.gz DAUPBLJTXBTYRM-GFCCVEGCSA-N 1 0 246.314 0.956 20 30 BCEDRO CCNC(=O)C[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598585439 348995054 /nfs/dbraw/zinc/99/50/54/348995054.db2.gz CWUVLANWQMFMKM-SNVBAGLBSA-N 1 0 241.335 0.355 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000598589516 348996622 /nfs/dbraw/zinc/99/66/22/348996622.db2.gz JHOYEIUHDFUJOP-GHMZBOCLSA-N 1 0 226.320 0.744 20 30 BCEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)C1(CO)CC1 ZINC000598616204 349001230 /nfs/dbraw/zinc/00/12/30/349001230.db2.gz KKEHABFOCPXYGA-JTQLQIEISA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@H](O)[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598604297 349006229 /nfs/dbraw/zinc/00/62/29/349006229.db2.gz QFUDTZAMCSJZGN-TUAOUCFPSA-N 1 0 240.347 0.990 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CC[C@H]1O ZINC000598606433 349006653 /nfs/dbraw/zinc/00/66/53/349006653.db2.gz KDKNKFRPIDZHSQ-IJLUTSLNSA-N 1 0 240.347 0.990 20 30 BCEDRO C[C@H]1CN(c2ccnc(C#N)n2)CC[NH2+]1 ZINC000308876206 349016254 /nfs/dbraw/zinc/01/62/54/349016254.db2.gz UNPPXWAVFXFWAQ-QMMMGPOBSA-N 1 0 203.249 0.146 20 30 BCEDRO CC[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598703048 349022359 /nfs/dbraw/zinc/02/23/59/349022359.db2.gz BQXOLCAZMSVFQM-VHSXEESVSA-N 1 0 214.309 0.648 20 30 BCEDRO C[C@@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598703659 349022552 /nfs/dbraw/zinc/02/25/52/349022552.db2.gz IRUIJBJJAWCPCW-BDAKNGLRSA-N 1 0 200.282 0.258 20 30 BCEDRO CC[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598703047 349022642 /nfs/dbraw/zinc/02/26/42/349022642.db2.gz BQXOLCAZMSVFQM-UWVGGRQHSA-N 1 0 214.309 0.648 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)NC1CC([NH+](C)C)C1 ZINC000598717502 349026646 /nfs/dbraw/zinc/02/66/46/349026646.db2.gz GKNHSKZCTIVPDX-UHFFFAOYSA-N 1 0 246.314 0.719 20 30 BCEDRO CN1CC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1=O ZINC000598718722 349027000 /nfs/dbraw/zinc/02/70/00/349027000.db2.gz GNEZJCUGTUEKRY-VHSXEESVSA-N 1 0 239.319 0.107 20 30 BCEDRO CN1CCC[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598721530 349027702 /nfs/dbraw/zinc/02/77/02/349027702.db2.gz WUSSODGTEUCHRK-NEPJUHHUSA-N 1 0 239.363 0.971 20 30 BCEDRO C[C@H](CO)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598700156 349033190 /nfs/dbraw/zinc/03/31/90/349033190.db2.gz LNBZSHGUAQVZMW-UWVGGRQHSA-N 1 0 214.309 0.505 20 30 BCEDRO C[C@@H](CO)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598700155 349033361 /nfs/dbraw/zinc/03/33/61/349033361.db2.gz LNBZSHGUAQVZMW-NXEZZACHSA-N 1 0 214.309 0.505 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CC(C(C)(C)O)C1 ZINC000598700817 349034199 /nfs/dbraw/zinc/03/41/99/349034199.db2.gz GAMUSFWITRHKAM-LLVKDONJSA-N 1 0 240.347 0.990 20 30 BCEDRO CC(=O)NCCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598700927 349034231 /nfs/dbraw/zinc/03/42/31/349034231.db2.gz RURYCTWZGIWTKM-LLVKDONJSA-N 1 0 241.335 0.403 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCN2CC[C@H](O)C2)c1 ZINC000599018195 349082969 /nfs/dbraw/zinc/08/29/69/349082969.db2.gz GYJRQCDSWOMQLA-AWEZNQCLSA-N 1 0 245.326 0.714 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000599069137 349086709 /nfs/dbraw/zinc/08/67/09/349086709.db2.gz AKZGILNGVXKTCI-GWOFURMSSA-N 1 0 221.304 0.922 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000599069136 349087322 /nfs/dbraw/zinc/08/73/22/349087322.db2.gz AKZGILNGVXKTCI-CHWFTXMASA-N 1 0 221.304 0.922 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000599069138 349087325 /nfs/dbraw/zinc/08/73/25/349087325.db2.gz AKZGILNGVXKTCI-MMWGEVLESA-N 1 0 221.304 0.922 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000599093278 349092270 /nfs/dbraw/zinc/09/22/70/349092270.db2.gz OIPFYQZLTIEGGD-TUAOUCFPSA-N 1 0 223.320 0.335 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2O)C1 ZINC000599080929 349096146 /nfs/dbraw/zinc/09/61/46/349096146.db2.gz LKDNEXFEEDRORB-LMLFDSFASA-N 1 0 210.277 0.418 20 30 BCEDRO N#Cc1cccnc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176324 349103937 /nfs/dbraw/zinc/10/39/37/349103937.db2.gz QSUNDNBSRRHSAK-LLVKDONJSA-N 1 0 232.287 0.432 20 30 BCEDRO N#Cc1cccc(NCC[N@H+]2CC[C@@H](O)C2)n1 ZINC000599175451 349113421 /nfs/dbraw/zinc/11/34/21/349113421.db2.gz BMNKJPVTFZVLCJ-LLVKDONJSA-N 1 0 232.287 0.432 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)COC[C@H]1CCCO1 ZINC000248515708 349136828 /nfs/dbraw/zinc/13/68/28/349136828.db2.gz GEXJOFNZPVRNMT-NWDGAFQWSA-N 1 0 229.320 0.661 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000599437564 349176789 /nfs/dbraw/zinc/17/67/89/349176789.db2.gz OVQOWVDQKGJGFN-QWRGUYRKSA-N 1 0 226.320 0.934 20 30 BCEDRO COC(=O)CCCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000599455584 349189530 /nfs/dbraw/zinc/18/95/30/349189530.db2.gz SXRZJYKRKVASPW-GFCCVEGCSA-N 1 0 240.303 0.680 20 30 BCEDRO C[C@@H]1C[C@@H]1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000599434267 349174146 /nfs/dbraw/zinc/17/41/46/349174146.db2.gz WPPMIFMJRLWSRU-GHMZBOCLSA-N 1 0 221.304 0.700 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599558884 349217313 /nfs/dbraw/zinc/21/73/13/349217313.db2.gz PCORHTIGOZPNCO-GFCCVEGCSA-N 1 0 243.303 0.453 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000599601745 349232480 /nfs/dbraw/zinc/23/24/80/349232480.db2.gz YGSVRESMELNBIC-UWVGGRQHSA-N 1 0 239.319 0.237 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000308959617 349202482 /nfs/dbraw/zinc/20/24/82/349202482.db2.gz YPPYCUPTDRXDKK-BBBLOLIVSA-N 1 0 207.277 0.547 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)NCC(=O)OC)C1 ZINC000599526318 349207301 /nfs/dbraw/zinc/20/73/01/349207301.db2.gz KYCUISBWVQRADM-SNVBAGLBSA-N 1 0 240.303 0.174 20 30 BCEDRO CC(C)(C#N)CCN1CCO[C@H](CC(N)=O)C1 ZINC000599664664 349247276 /nfs/dbraw/zinc/24/72/76/349247276.db2.gz OJSLHZCPRSAFBS-SNVBAGLBSA-N 1 0 239.319 0.502 20 30 BCEDRO N#CCCCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000599664456 349247742 /nfs/dbraw/zinc/24/77/42/349247742.db2.gz NTBSWVSBXSYHKK-SNVBAGLBSA-N 1 0 225.292 0.256 20 30 BCEDRO N#CCCCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000599912857 349270085 /nfs/dbraw/zinc/27/00/85/349270085.db2.gz YHLSGJUIVFMHDU-SECBINFHSA-N 1 0 210.281 0.341 20 30 BCEDRO C[C@@H]1CC[C@H](NC(=O)NCCCC#N)C[NH2+]1 ZINC000599917848 349270775 /nfs/dbraw/zinc/27/07/75/349270775.db2.gz KMCVZIBUJXUCSD-ZJUUUORDSA-N 1 0 224.308 0.730 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@@H](C)C#N ZINC000599932841 349272479 /nfs/dbraw/zinc/27/24/79/349272479.db2.gz CLTVUCXTUQZBFP-GARJFASQSA-N 1 0 238.335 0.928 20 30 BCEDRO C[NH+](C)C1CN(c2cc(C#N)ncn2)C1 ZINC000382224551 349279954 /nfs/dbraw/zinc/27/99/54/349279954.db2.gz WVXGOHYYOQSMOU-UHFFFAOYSA-N 1 0 203.249 0.098 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278916519 192416592 /nfs/dbraw/zinc/41/65/92/192416592.db2.gz RBHVSCSODTWUFD-LBPRGKRZSA-N 1 0 206.289 0.612 20 30 BCEDRO C[C@](O)(C[C@H](O)C[NH2+]CCCC#N)C1CC1 ZINC000601967722 349404920 /nfs/dbraw/zinc/40/49/20/349404920.db2.gz XKUBRSXVTXPJKB-RYUDHWBXSA-N 1 0 226.320 0.792 20 30 BCEDRO CC[C@H]([NH2+]C)C(=O)N1CCN(CCC#N)CC1 ZINC000601850295 349366352 /nfs/dbraw/zinc/36/63/52/349366352.db2.gz COVJDLRQNZOVGO-NSHDSACASA-N 1 0 238.335 0.042 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N(CCC#N)CCC#N)C1 ZINC000602077130 349428768 /nfs/dbraw/zinc/42/87/68/349428768.db2.gz BIGWFZKDRIOXDT-GFCCVEGCSA-N 1 0 248.330 0.984 20 30 BCEDRO CCN(CC#N)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602079600 349430441 /nfs/dbraw/zinc/43/04/41/349430441.db2.gz CTPRTVYPBNVSQT-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO CCN(CC#N)C(=O)C1(C[NH+](C)C)CC1 ZINC000602080881 349431286 /nfs/dbraw/zinc/43/12/86/349431286.db2.gz SLLAKTXBINNERW-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO N#CCN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000603847915 350044153 /nfs/dbraw/zinc/04/41/53/350044153.db2.gz CVTYCQQQIPCZGS-LBPRGKRZSA-N 1 0 223.320 0.697 20 30 BCEDRO C=CCOCCCNC(=O)C1([NH+](C)C)CC1 ZINC000618517215 350094352 /nfs/dbraw/zinc/09/43/52/350094352.db2.gz YLVJGGXVFCZZLO-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO CC[C@H](CC#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000132070148 191024154 /nfs/dbraw/zinc/02/41/54/191024154.db2.gz TWBMOPMBPVIAPR-ZJUUUORDSA-N 1 0 209.293 0.889 20 30 BCEDRO CC[C@H](OC)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000604484382 350138282 /nfs/dbraw/zinc/13/82/82/350138282.db2.gz LUGJSJYILZDSFD-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO C=C[C@H](CO)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000426857508 191047313 /nfs/dbraw/zinc/04/73/13/191047313.db2.gz IIORRWZOININJP-LLVKDONJSA-N 1 0 249.314 0.420 20 30 BCEDRO COCCN(CC#N)C[C@H](O)C[N@H+](C)C(C)C ZINC000316499028 350217763 /nfs/dbraw/zinc/21/77/63/350217763.db2.gz QQXAPCHFUPVIRQ-GFCCVEGCSA-N 1 0 243.351 0.159 20 30 BCEDRO N#Cc1cnc(N2CC[C@H]([NH+]3CC=CC3)C2)cn1 ZINC000125651465 191080981 /nfs/dbraw/zinc/08/09/81/191080981.db2.gz OJPLQUDPWNYTOM-LBPRGKRZSA-N 1 0 241.298 0.799 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367774897 350237372 /nfs/dbraw/zinc/23/73/72/350237372.db2.gz ASEXHSNSUHVYHG-DGCLKSJQSA-N 1 0 235.331 0.745 20 30 BCEDRO C[N@H+](CCNc1ccnc(C#N)n1)C1CC1 ZINC000309265134 350247496 /nfs/dbraw/zinc/24/74/96/350247496.db2.gz CRJHSMSMMLSVGQ-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO N#Cc1cc(NCC[NH+]2CCCC2)ncn1 ZINC000309287709 350256019 /nfs/dbraw/zinc/25/60/19/350256019.db2.gz IZGNVNLXNYESOK-UHFFFAOYSA-N 1 0 217.276 0.856 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1nnc2n1CCCC2 ZINC000261988345 535123850 /nfs/dbraw/zinc/12/38/50/535123850.db2.gz KUWULXGCRAJUDY-UHFFFAOYSA-N 1 0 236.323 0.427 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@]1(O)CCC[C@H]1C ZINC000262265113 535124056 /nfs/dbraw/zinc/12/40/56/535124056.db2.gz RRQBXKTVQJFVMB-MWLCHTKSSA-N 1 0 213.325 0.850 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1cc(C(N)=O)co1 ZINC000262468250 535124481 /nfs/dbraw/zinc/12/44/81/535124481.db2.gz MWUGCJNLQZNVKV-UHFFFAOYSA-N 1 0 224.264 0.191 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1cccc(N(C)C)n1 ZINC000162900719 535124648 /nfs/dbraw/zinc/12/46/48/535124648.db2.gz VBTGMHDNKJQWDQ-UHFFFAOYSA-N 1 0 235.335 0.960 20 30 BCEDRO C=C(C)C[N@H+](CC)CCS(=O)(=O)N(C)C ZINC000336670491 350434453 /nfs/dbraw/zinc/43/44/53/350434453.db2.gz FSPOYUNCWOUOKW-UHFFFAOYSA-N 1 0 234.365 0.776 20 30 BCEDRO CS[C@@H]1CN(CCC#N)C[C@@H]1[NH+](C)C ZINC000336676807 350438015 /nfs/dbraw/zinc/43/80/15/350438015.db2.gz ZTUIPHZIKJHJBZ-VHSXEESVSA-N 1 0 213.350 0.877 20 30 BCEDRO C=CCC[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000336660936 350429123 /nfs/dbraw/zinc/42/91/23/350429123.db2.gz BWUHEFYCNZIADF-UHFFFAOYSA-N 1 0 234.365 0.776 20 30 BCEDRO C=CCN(CCOCC)[C@H]1CCS(=O)(=O)C1 ZINC000336671451 350430084 /nfs/dbraw/zinc/43/00/84/350430084.db2.gz JREYIPDEQJFTQS-NSHDSACASA-N 1 0 247.360 0.698 20 30 BCEDRO C=CCN(CCOC)C(=O)NCC[NH2+]C1CC1 ZINC000637316911 350445162 /nfs/dbraw/zinc/44/51/62/350445162.db2.gz JCQBJIKYWZIFGJ-UHFFFAOYSA-N 1 0 241.335 0.582 20 30 BCEDRO CC#CCC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000336703710 350454655 /nfs/dbraw/zinc/45/46/55/350454655.db2.gz NRKLPSCDJQHKDJ-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000336703706 350454678 /nfs/dbraw/zinc/45/46/78/350454678.db2.gz MHEBYVSKTWEYRG-NSHDSACASA-N 1 0 244.360 0.400 20 30 BCEDRO C[C@@H](C#N)CN(C[C@@H](O)Cn1cccn1)C1CC1 ZINC000336702468 350458395 /nfs/dbraw/zinc/45/83/95/350458395.db2.gz GPOLBIKWDBQWMN-WCQYABFASA-N 1 0 248.330 0.868 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000577502733 365971853 /nfs/dbraw/zinc/97/18/53/365971853.db2.gz CWKAVVFPJSPGQZ-IJLUTSLNSA-N 1 0 243.326 0.673 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)[C@H](C)CO ZINC000273971938 166327731 /nfs/dbraw/zinc/32/77/31/166327731.db2.gz HRGSHEJUSVCLNS-NEPJUHHUSA-N 1 0 240.347 0.794 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CCC(C[NH+](C)C)CC1 ZINC000304214538 350648991 /nfs/dbraw/zinc/64/89/91/350648991.db2.gz JCQPUFAKAHNVPS-LBPRGKRZSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CCN1CC[C@H](N(C)C2CC[NH2+]CC2)C1=O ZINC000570964477 350668683 /nfs/dbraw/zinc/66/86/83/350668683.db2.gz SOKMJMNCLKKABE-LBPRGKRZSA-N 1 0 237.347 0.457 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC1([NH+](C)C)CCC1 ZINC000097932544 350725067 /nfs/dbraw/zinc/72/50/67/350725067.db2.gz MTAHLECFCBAOON-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C[NH2+][C@@H]1CCN(C(=O)c2cccc(C#N)c2)C1 ZINC000128940472 350904289 /nfs/dbraw/zinc/90/42/89/350904289.db2.gz VCNCDSLAJMNIGE-GFCCVEGCSA-N 1 0 229.283 0.992 20 30 BCEDRO N#CCN1CCC(C[NH+]2CCOCC2)CC1 ZINC000051958983 350872148 /nfs/dbraw/zinc/87/21/48/350872148.db2.gz XZERQCVLZSTZQE-UHFFFAOYSA-N 1 0 223.320 0.554 20 30 BCEDRO COC[C@@](C)(O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000382573288 350879714 /nfs/dbraw/zinc/87/97/14/350879714.db2.gz RRMVSXIUUMQIED-LBPRGKRZSA-N 1 0 237.303 0.384 20 30 BCEDRO CCN(CC#N)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336693240 351007241 /nfs/dbraw/zinc/00/72/41/351007241.db2.gz NIFLHYBARIZYLW-NSHDSACASA-N 1 0 211.309 0.287 20 30 BCEDRO C[NH+](C)C1(CNc2ncncc2C#N)CC1 ZINC000397831008 350977132 /nfs/dbraw/zinc/97/71/32/350977132.db2.gz MYLYZWXKXYQMOT-UHFFFAOYSA-N 1 0 217.276 0.276 20 30 BCEDRO C#Cc1ccc(C[NH2+]C[C@@H](O)COC)cc1 ZINC000289908945 350952629 /nfs/dbraw/zinc/95/26/29/350952629.db2.gz XWDZLPQUYBLELK-CYBMUJFWSA-N 1 0 219.284 0.765 20 30 BCEDRO CCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)C#N)C1 ZINC000389905010 351054437 /nfs/dbraw/zinc/05/44/37/351054437.db2.gz SCANIRIXBUPHGT-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cn(C)nc1C(F)F ZINC000336709101 351077696 /nfs/dbraw/zinc/07/76/96/351077696.db2.gz QWJBSDDJVLUYIW-QMMMGPOBSA-N 1 0 231.246 0.994 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cn(C)nc1C(F)F ZINC000336709100 351078021 /nfs/dbraw/zinc/07/80/21/351078021.db2.gz QWJBSDDJVLUYIW-MRVPVSSYSA-N 1 0 231.246 0.994 20 30 BCEDRO C=CC1CC[NH+](CC(=O)N2CCNC2=O)CC1 ZINC000111256699 191130124 /nfs/dbraw/zinc/13/01/24/191130124.db2.gz PNGSHFLQSXETCV-UHFFFAOYSA-N 1 0 237.303 0.436 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000336722508 351168504 /nfs/dbraw/zinc/16/85/04/351168504.db2.gz FDZYDEHGVDWNSF-OUAUKWLOSA-N 1 0 210.277 0.420 20 30 BCEDRO CCS(=O)(=O)NCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336724806 351388463 /nfs/dbraw/zinc/38/84/63/351388463.db2.gz BJLUKBALLIQCTC-NXEZZACHSA-N 1 0 245.348 0.208 20 30 BCEDRO CNC(=O)NC(=O)CC[NH+]1CCC(C#N)CC1 ZINC000060893239 191135105 /nfs/dbraw/zinc/13/51/05/191135105.db2.gz XYZUGAHASDVUPV-UHFFFAOYSA-N 1 0 238.291 0.068 20 30 BCEDRO COCCN(CCC#N)C[C@H]1CCC[N@@H+]1C ZINC000386719252 363032421 /nfs/dbraw/zinc/03/24/21/363032421.db2.gz ROKUSJFZSDHMAS-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000336726869 351496045 /nfs/dbraw/zinc/49/60/45/351496045.db2.gz BTGCALGYWKJOLC-SNVBAGLBSA-N 1 0 246.376 0.822 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N[C@@H](C)CC ZINC000272855594 351497631 /nfs/dbraw/zinc/49/76/31/351497631.db2.gz QXMBOQJINKMROU-VIFPVBQESA-N 1 0 247.364 0.290 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N[C@H](C)CC ZINC000272855593 351498347 /nfs/dbraw/zinc/49/83/47/351498347.db2.gz QXMBOQJINKMROU-SECBINFHSA-N 1 0 247.364 0.290 20 30 BCEDRO N#Cc1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000090322586 363039526 /nfs/dbraw/zinc/03/95/26/363039526.db2.gz GBVCAPUWDUATPT-TXEJJXNPSA-N 1 0 228.299 0.604 20 30 BCEDRO C=CCSCC[NH2+]Cc1ncnn1C ZINC000231941542 351475759 /nfs/dbraw/zinc/47/57/59/351475759.db2.gz YEECCZCRKXUQJB-UHFFFAOYSA-N 1 0 212.322 0.824 20 30 BCEDRO CN(C(=[NH2+])NCCCn1cccn1)C1CC1 ZINC000273357433 351522159 /nfs/dbraw/zinc/52/21/59/351522159.db2.gz RVJNKFSRERFRSR-UHFFFAOYSA-N 1 0 221.308 0.682 20 30 BCEDRO Cc1nccn1CCCNC(=[NH2+])N(C)C1CC1 ZINC000273359016 351523355 /nfs/dbraw/zinc/52/33/55/351523355.db2.gz SJSWUTNZUJDSEQ-UHFFFAOYSA-N 1 0 235.335 0.991 20 30 BCEDRO N#Cc1cc(=O)n(CC[NH+]2CCCCC2)cn1 ZINC000577632477 366027423 /nfs/dbraw/zinc/02/74/23/366027423.db2.gz NUSKAQSCFRANDK-UHFFFAOYSA-N 1 0 232.287 0.601 20 30 BCEDRO C[C@@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)N(C)CCC#N ZINC000274142254 351561129 /nfs/dbraw/zinc/56/11/29/351561129.db2.gz XKVBBMBSICFJNS-VHSXEESVSA-N 1 0 249.318 0.821 20 30 BCEDRO C[C@@H](C[NH3+])C(=O)N1Cc2cccc(C#N)c2C1 ZINC000405087584 351666700 /nfs/dbraw/zinc/66/67/00/351666700.db2.gz KSYBTUGJOZIXQX-VIFPVBQESA-N 1 0 229.283 0.995 20 30 BCEDRO CO/N=C/c1ccc(C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000276989079 351669951 /nfs/dbraw/zinc/66/99/51/351669951.db2.gz UGSTVLVESPEJPD-PFMRQGHBSA-N 1 0 235.287 0.744 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000577756923 366054967 /nfs/dbraw/zinc/05/49/67/366054967.db2.gz CXDLQPXONUQGQG-NXEZZACHSA-N 1 0 224.308 0.682 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@@H](C)C#N)C1 ZINC000088476852 351804261 /nfs/dbraw/zinc/80/42/61/351804261.db2.gz ABOVDSSCWIIVIH-UWVGGRQHSA-N 1 0 245.348 0.302 20 30 BCEDRO N#CCOc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278778005 351783450 /nfs/dbraw/zinc/78/34/50/351783450.db2.gz NKEMEIINFUBVEF-STQMWFEESA-N 1 0 248.282 0.126 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)[C@@H](C)C#N ZINC000088475395 351802546 /nfs/dbraw/zinc/80/25/46/351802546.db2.gz JOQFAGFIOZYQEY-VHSXEESVSA-N 1 0 245.348 0.302 20 30 BCEDRO N#CCSCC(=O)NCC[N@H+]1CC=CCC1 ZINC000279766426 351824111 /nfs/dbraw/zinc/82/41/11/351824111.db2.gz BBQXMYRYPTVTLU-UHFFFAOYSA-N 1 0 239.344 0.621 20 30 BCEDRO C#CCN(CC#N)C(=O)C[NH+](CC)CC ZINC000282045943 351921998 /nfs/dbraw/zinc/92/19/98/351921998.db2.gz RFVISOJGMGOURL-UHFFFAOYSA-N 1 0 207.277 0.314 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638008768 351885728 /nfs/dbraw/zinc/88/57/28/351885728.db2.gz IEOYQAVRQFYNHN-PWSUYJOCSA-N 1 0 226.320 0.823 20 30 BCEDRO C=C[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336734857 351898721 /nfs/dbraw/zinc/89/87/21/351898721.db2.gz NPQHSVVZHWVYKZ-IJLUTSLNSA-N 1 0 210.321 0.750 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000281927738 351916391 /nfs/dbraw/zinc/91/63/91/351916391.db2.gz HRJRVAHNZOTHHY-LBPRGKRZSA-N 1 0 231.299 0.599 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245562647 191147754 /nfs/dbraw/zinc/14/77/54/191147754.db2.gz VPRAPFIFCQRRHW-DJLDLDEBSA-N 1 0 209.293 0.478 20 30 BCEDRO C=C(C)COCCNC(=O)N(CC)CC[NH3+] ZINC000627000549 363101539 /nfs/dbraw/zinc/10/15/39/363101539.db2.gz RXRADLDJLODUIS-UHFFFAOYSA-N 1 0 229.324 0.569 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCn1cnc(C#N)n1 ZINC000285197319 352027903 /nfs/dbraw/zinc/02/79/03/352027903.db2.gz VSNGBFRWOCYOEL-UHFFFAOYSA-N 1 0 249.322 0.100 20 30 BCEDRO Cc1ccc([C@H](O)CNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000285216076 352028935 /nfs/dbraw/zinc/02/89/35/352028935.db2.gz XBBSDZAYLASCDX-ZYHUDNBSSA-N 1 0 233.315 0.966 20 30 BCEDRO C=CCNC(=O)CNC(=O)[C@@H]([NH3+])CCC(C)C ZINC000638282410 352120409 /nfs/dbraw/zinc/12/04/09/352120409.db2.gz SBOLETKLYVMSPV-JTQLQIEISA-N 1 0 241.335 0.168 20 30 BCEDRO C#CCC[NH+]1CCN([C@H](C)c2nncn2C)CC1 ZINC000287745923 352132911 /nfs/dbraw/zinc/13/29/11/352132911.db2.gz LIKJDEPQSGSZDT-GFCCVEGCSA-N 1 0 247.346 0.517 20 30 BCEDRO CCN(CC)C(=[NH2+])NCC1=CCCOC1 ZINC000287050796 352112003 /nfs/dbraw/zinc/11/20/03/352112003.db2.gz IOJPPPYMFAQIQU-UHFFFAOYSA-N 1 0 211.309 0.990 20 30 BCEDRO C=CCCCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627014790 363114179 /nfs/dbraw/zinc/11/41/79/363114179.db2.gz FZDYUIUNYJSRKN-LLVKDONJSA-N 1 0 241.335 0.630 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627015786 363114829 /nfs/dbraw/zinc/11/48/29/363114829.db2.gz BPILZVDUHYUZDM-QWRGUYRKSA-N 1 0 223.320 0.840 20 30 BCEDRO C[C@H](CCC#N)C[N@H+](C)CC(=O)N(C)C ZINC000618887251 352156838 /nfs/dbraw/zinc/15/68/38/352156838.db2.gz PBWNAGCSVAJSGI-SNVBAGLBSA-N 1 0 211.309 0.946 20 30 BCEDRO CNC(=[NH2+])NC[C@@H]1COc2ccccc21 ZINC000288772826 352164343 /nfs/dbraw/zinc/16/43/43/352164343.db2.gz VCQNTEZPYPRSHI-MRVPVSSYSA-N 1 0 205.261 0.697 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000613329637 363110847 /nfs/dbraw/zinc/11/08/47/363110847.db2.gz SGFQKJBHBNZCET-DCAQKATOSA-N 1 0 224.304 0.086 20 30 BCEDRO C=C1CCN(C(=O)[C@@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638381667 352193840 /nfs/dbraw/zinc/19/38/40/352193840.db2.gz NXLSHQNKEHUFGU-DGCLKSJQSA-N 1 0 238.331 0.932 20 30 BCEDRO CNC(=[NH2+])NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000290676938 352235768 /nfs/dbraw/zinc/23/57/68/352235768.db2.gz PPSRPKCZMVGOMR-AAEUAGOBSA-N 1 0 233.315 0.687 20 30 BCEDRO CC(C)(CC(N)=O)[NH2+]Cc1ccnc(C#N)c1 ZINC000230651830 352203074 /nfs/dbraw/zinc/20/30/74/352203074.db2.gz OZRUWHACANLISE-UHFFFAOYSA-N 1 0 232.287 0.697 20 30 BCEDRO C=CCOCCCNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638416388 352228814 /nfs/dbraw/zinc/22/88/14/352228814.db2.gz WIMQQOZSUBNBTR-LBPRGKRZSA-N 1 0 242.319 0.074 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000613351091 363134608 /nfs/dbraw/zinc/13/46/08/363134608.db2.gz ZUAPSAAGQSJGBG-SNVBAGLBSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000153014447 187634920 /nfs/dbraw/zinc/63/49/20/187634920.db2.gz HJGXOODTRPBQEG-LLVKDONJSA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000613374863 363149860 /nfs/dbraw/zinc/14/98/60/363149860.db2.gz JRDHJZFVWZRULR-MFKMUULPSA-N 1 0 238.331 0.690 20 30 BCEDRO C=CC[N@H+](CCOC)CCN1CCCC1=O ZINC000189422017 166341758 /nfs/dbraw/zinc/34/17/58/166341758.db2.gz OTELELIRNLFKEP-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=C(CC)CNC(=O)N(C)CCOCC[NH3+] ZINC000627054899 363173375 /nfs/dbraw/zinc/17/33/75/363173375.db2.gz FWEIZXCEPYLMGA-UHFFFAOYSA-N 1 0 229.324 0.569 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000638471335 352281706 /nfs/dbraw/zinc/28/17/06/352281706.db2.gz COKPLJBSVUCBGT-NWDGAFQWSA-N 1 0 239.363 0.690 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(CC)CC[NH3+] ZINC000638520147 352354478 /nfs/dbraw/zinc/35/44/78/352354478.db2.gz NSRZPUXYSGCLGE-JTQLQIEISA-N 1 0 214.309 0.775 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)NCC#N ZINC000411636001 191199049 /nfs/dbraw/zinc/19/90/49/191199049.db2.gz CTRFILHOCYIJOL-UHFFFAOYSA-N 1 0 238.335 0.066 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000044823696 352435146 /nfs/dbraw/zinc/43/51/46/352435146.db2.gz WBIMZPYEDFANGN-ZJUUUORDSA-N 1 0 209.293 0.604 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NCCOCC[NH2+]C ZINC000638577326 352408126 /nfs/dbraw/zinc/40/81/26/352408126.db2.gz XBCNCUJGMRSEEN-NSHDSACASA-N 1 0 228.336 0.941 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044828062 352443985 /nfs/dbraw/zinc/44/39/85/352443985.db2.gz BEVWDPOKGGQKSH-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044828030 352443771 /nfs/dbraw/zinc/44/37/71/352443771.db2.gz CSGFIQMFQQJWDD-NSHDSACASA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C)[NH2+]C2)nn1 ZINC000638653850 352496756 /nfs/dbraw/zinc/49/67/56/352496756.db2.gz ZNJLKEGEEJMTBN-VHSXEESVSA-N 1 0 249.318 0.334 20 30 BCEDRO Cn1cc(C[NH2+]Cc2ccnn2C)cc1C#N ZINC000232315247 352618215 /nfs/dbraw/zinc/61/82/15/352618215.db2.gz BASSYPJZEOZLKE-UHFFFAOYSA-N 1 0 229.287 0.920 20 30 BCEDRO C=C(C)CN1CC[NH+](C(COC)COC)CC1 ZINC000411841267 191216670 /nfs/dbraw/zinc/21/66/70/191216670.db2.gz DZWYAEWOPXQXHA-UHFFFAOYSA-N 1 0 242.363 0.842 20 30 BCEDRO CNC(=O)[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232314953 352619048 /nfs/dbraw/zinc/61/90/48/352619048.db2.gz QJJSETCLUZOOBI-MRVPVSSYSA-N 1 0 220.276 0.121 20 30 BCEDRO Cn1cc(C[NH2+][C@H]2CCC(=O)NC2)cc1C#N ZINC000232315260 352619153 /nfs/dbraw/zinc/61/91/53/352619153.db2.gz BQIFFUCGXCDHNJ-JTQLQIEISA-N 1 0 232.287 0.265 20 30 BCEDRO CNC(=O)[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232314955 352619163 /nfs/dbraw/zinc/61/91/63/352619163.db2.gz QJJSETCLUZOOBI-QMMMGPOBSA-N 1 0 220.276 0.121 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411957900 191234466 /nfs/dbraw/zinc/23/44/66/191234466.db2.gz UIEJIWQYTKZAME-LLVKDONJSA-N 1 0 226.320 0.599 20 30 BCEDRO C=CCOCCCC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638769041 352710164 /nfs/dbraw/zinc/71/01/64/352710164.db2.gz KGONJWAHQZKJTH-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412071642 191250784 /nfs/dbraw/zinc/25/07/84/191250784.db2.gz GNEUJXPHADTLJZ-WOPDTQHZSA-N 1 0 229.320 0.395 20 30 BCEDRO C=CCOCCC[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412088130 191254879 /nfs/dbraw/zinc/25/48/79/191254879.db2.gz OMTOKFWZRPAUAA-NWDGAFQWSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCCC[N@@H+]1CC[C@@H]2OCC(=O)N[C@@H]2C1 ZINC000366795691 352932513 /nfs/dbraw/zinc/93/25/13/352932513.db2.gz IFHUNUVRLSKHDJ-MNOVXSKESA-N 1 0 224.304 0.542 20 30 BCEDRO CNC(=O)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336748819 352980041 /nfs/dbraw/zinc/98/00/41/352980041.db2.gz CYPPZNRGNMQQBI-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO CN(CC#N)C(=O)C12CCC[NH+]1CCC2 ZINC000334352488 352988395 /nfs/dbraw/zinc/98/83/95/352988395.db2.gz HHFNKTNHDKVTSK-UHFFFAOYSA-N 1 0 207.277 0.597 20 30 BCEDRO CN(C)c1nccc(CNCCC#N)n1 ZINC000336750167 353026535 /nfs/dbraw/zinc/02/65/35/353026535.db2.gz DQTKJVGDLXXVJN-UHFFFAOYSA-N 1 0 205.265 0.546 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)C1 ZINC000334356006 352996240 /nfs/dbraw/zinc/99/62/40/352996240.db2.gz LZUMVGXDBMWKFQ-NXEZZACHSA-N 1 0 223.320 0.993 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)C1 ZINC000334356009 352996663 /nfs/dbraw/zinc/99/66/63/352996663.db2.gz LZUMVGXDBMWKFQ-ZJUUUORDSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CCOCC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000638820892 353000907 /nfs/dbraw/zinc/00/09/07/353000907.db2.gz IGPJQNQHLMCGDK-NSHDSACASA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCNC(=O)CN1CCCC[C@@H]1CC[NH3+] ZINC000069721230 166364803 /nfs/dbraw/zinc/36/48/03/166364803.db2.gz OCZULTULOVMLJM-LLVKDONJSA-N 1 0 225.336 0.492 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000159377089 166364818 /nfs/dbraw/zinc/36/48/18/166364818.db2.gz NUJBBCYBKPIQPC-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000159377334 166365230 /nfs/dbraw/zinc/36/52/30/166365230.db2.gz NUJBBCYBKPIQPC-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638922239 353080172 /nfs/dbraw/zinc/08/01/72/353080172.db2.gz ARAGYXAXCNBUEI-UTUOFQBUSA-N 1 0 238.331 0.930 20 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C=CC[C@@H](C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627186253 363440915 /nfs/dbraw/zinc/44/09/15/363440915.db2.gz RKUFJWWJOSLYIB-ZJUUUORDSA-N 1 0 227.308 0.239 20 30 BCEDRO C=CCN(C(=O)NC[C@H]1COCC[NH2+]1)C1CC1 ZINC000627187611 363443813 /nfs/dbraw/zinc/44/38/13/363443813.db2.gz LTNAGSKUMVVXPB-JTQLQIEISA-N 1 0 239.319 0.335 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000346393801 354908523 /nfs/dbraw/zinc/90/85/23/354908523.db2.gz CRONBJDUPPYIOI-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO COCCC[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC000346439810 354937745 /nfs/dbraw/zinc/93/77/45/354937745.db2.gz SLPYAIILBKBGEU-SNVBAGLBSA-N 1 0 227.308 0.231 20 30 BCEDRO C=CCCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000346819826 355124798 /nfs/dbraw/zinc/12/47/98/355124798.db2.gz FLNSHUWUSQWBFK-LBPRGKRZSA-N 1 0 237.347 0.411 20 30 BCEDRO C=CCN(CC(C)(C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000346835840 355131500 /nfs/dbraw/zinc/13/15/00/355131500.db2.gz OKVGEABCAZSLQK-SNVBAGLBSA-N 1 0 246.376 0.399 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000346974760 355209931 /nfs/dbraw/zinc/20/99/31/355209931.db2.gz FTPVVKCHERZRHF-ZJUUUORDSA-N 1 0 212.293 0.354 20 30 BCEDRO CC(C)[C@@H]1CC[N@@H+]1C[C@H](O)CN(C)CCC#N ZINC000414157695 191461681 /nfs/dbraw/zinc/46/16/81/191461681.db2.gz YOWAOFQUMDWSIT-OLZOCXBDSA-N 1 0 239.363 0.923 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1ccncc1C#N ZINC000399100305 355368479 /nfs/dbraw/zinc/36/84/79/355368479.db2.gz FXNGYVFAIPQZES-GFCCVEGCSA-N 1 0 234.303 0.100 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000087509563 355353692 /nfs/dbraw/zinc/35/36/92/355353692.db2.gz LXHZZFSMYPWBQM-NXEZZACHSA-N 1 0 225.292 0.125 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H](C)C1CC1 ZINC000491068014 491079091 /nfs/dbraw/zinc/07/90/91/491079091.db2.gz MAZCEMGZSUDUSV-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCCCO ZINC000349948887 355534523 /nfs/dbraw/zinc/53/45/23/355534523.db2.gz XKIRJQHTPABSLM-NSHDSACASA-N 1 0 241.335 0.451 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191567764 355734072 /nfs/dbraw/zinc/73/40/72/355734072.db2.gz QTTOLFMYPBMFJZ-UHFFFAOYSA-N 1 0 232.287 0.289 20 30 BCEDRO N#Cc1cncnc1N1CCC[C@H](CC[NH3+])C1 ZINC000383972898 355839400 /nfs/dbraw/zinc/83/94/00/355839400.db2.gz KRRDLQQBVTVGCU-SNVBAGLBSA-N 1 0 231.303 0.913 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)Cc1ccc(C#N)cn1 ZINC000583638692 355940735 /nfs/dbraw/zinc/94/07/35/355940735.db2.gz GTGNTEKVFWJSJZ-JTQLQIEISA-N 1 0 235.287 0.128 20 30 BCEDRO C[C@H](CNC(=O)CC(C)(C)C#N)[NH+](C)C ZINC000350917065 355885043 /nfs/dbraw/zinc/88/50/43/355885043.db2.gz HCQXVQZSDLAPFL-SECBINFHSA-N 1 0 211.309 0.993 20 30 BCEDRO C=CCC[C@H](C)N[C@H](C(=O)OC)[C@@H](C)O ZINC000191967008 355948104 /nfs/dbraw/zinc/94/81/04/355948104.db2.gz YCDZJDNFVKRORF-AEJSXWLSSA-N 1 0 215.293 0.853 20 30 BCEDRO C[C@@H]1CCN(C(=O)NCCCC#N)C[C@H]1C[NH3+] ZINC000417995237 191949956 /nfs/dbraw/zinc/94/99/56/191949956.db2.gz CVYFDFIMBNNWRW-GHMZBOCLSA-N 1 0 238.335 0.916 20 30 BCEDRO C[C@]1(CNC(=O)NCCCC#N)CCC[NH2+]C1 ZINC000417993253 191950433 /nfs/dbraw/zinc/95/04/33/191950433.db2.gz AFRALAALNZSDCA-LBPRGKRZSA-N 1 0 238.335 0.979 20 30 BCEDRO C=C(C)CN(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000351612134 356028577 /nfs/dbraw/zinc/02/85/77/356028577.db2.gz URQALSFGGPTRJY-GFCCVEGCSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCOCC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000617556833 356114466 /nfs/dbraw/zinc/11/44/66/356114466.db2.gz YVEKRVBAIYKZJW-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)NCCc1cccc(C#N)c1 ZINC000418152612 191991482 /nfs/dbraw/zinc/99/14/82/191991482.db2.gz VGBVTDTZXCIRIK-SNVBAGLBSA-N 1 0 246.314 0.747 20 30 BCEDRO C=C(C)CC[NH+]1CCN(C(=O)CO)CC1 ZINC000351717407 356069501 /nfs/dbraw/zinc/06/95/01/356069501.db2.gz DQPLGNMBFKHCDU-UHFFFAOYSA-N 1 0 212.293 0.089 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418255567 192005951 /nfs/dbraw/zinc/00/59/51/192005951.db2.gz RVEZNTXPIABSGU-JLIMGVALSA-N 1 0 227.308 0.365 20 30 BCEDRO C=C(C)CCNC(=O)NCCN1CC[NH2+]CC1 ZINC000418248266 192006152 /nfs/dbraw/zinc/00/61/52/192006152.db2.gz RUKQKCCJHMPBFU-UHFFFAOYSA-N 1 0 240.351 0.157 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)CC[NH3+] ZINC000418258414 192006260 /nfs/dbraw/zinc/00/62/60/192006260.db2.gz VVTXFILDFWQBTF-AXFHLTTASA-N 1 0 241.335 0.757 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC(C)(C)C[NH3+] ZINC000418250837 192007030 /nfs/dbraw/zinc/00/70/30/192007030.db2.gz LXHASOUBDPOODV-ZJUUUORDSA-N 1 0 241.335 0.757 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[C@H](C)[NH3+] ZINC000418262204 192009350 /nfs/dbraw/zinc/00/93/50/192009350.db2.gz ZRVMBRLSYZJEJH-AXFHLTTASA-N 1 0 241.335 0.757 20 30 BCEDRO CC(C)(CC#N)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418274497 192010913 /nfs/dbraw/zinc/01/09/13/192010913.db2.gz CTPGWEDXQRLREZ-SNVBAGLBSA-N 1 0 238.335 0.977 20 30 BCEDRO CC(C)(CC#N)CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418274495 192011191 /nfs/dbraw/zinc/01/11/91/192011191.db2.gz CTPGWEDXQRLREZ-JTQLQIEISA-N 1 0 238.335 0.977 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@@](C)(O)C1 ZINC000330047722 356163637 /nfs/dbraw/zinc/16/36/37/356163637.db2.gz HVTFTNHSWIRTKY-ZYHUDNBSSA-N 1 0 241.335 0.451 20 30 BCEDRO C=C(C)CCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418236331 192000683 /nfs/dbraw/zinc/00/06/83/192000683.db2.gz BIGUVOHICHSANS-MYJAWHEDSA-N 1 0 209.293 0.470 20 30 BCEDRO C=C(C)CNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418308083 192021112 /nfs/dbraw/zinc/02/11/12/192021112.db2.gz BKUGMTJIKFJTJT-SNVBAGLBSA-N 1 0 211.309 0.861 20 30 BCEDRO CC#CCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000418313282 192023218 /nfs/dbraw/zinc/02/32/18/192023218.db2.gz QEQGBBYFBWHAHD-MNOVXSKESA-N 1 0 223.320 0.697 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NCC[NH2+]CC ZINC000418320602 192024008 /nfs/dbraw/zinc/02/40/08/192024008.db2.gz VNGDZVSTLMILNR-JTQLQIEISA-N 1 0 229.324 0.222 20 30 BCEDRO O=C(NC1CN(CC2(O)CCC2)C1)C1CC1 ZINC000330193590 356181692 /nfs/dbraw/zinc/18/16/92/356181692.db2.gz OHDRYJDDXDDOPH-UHFFFAOYSA-N 1 0 224.304 0.952 20 30 BCEDRO C[C@@H]1C[C@H](Nc2ncncc2C#N)CC[N@@H+]1C ZINC000384099418 356306467 /nfs/dbraw/zinc/30/64/67/356306467.db2.gz APIXWONEWKVCOJ-MWLCHTKSSA-N 1 0 231.303 0.665 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@H]([NH2+]C)C2)C1=O ZINC000420282040 192199431 /nfs/dbraw/zinc/19/94/31/192199431.db2.gz BBUYDXVDGJSSKI-RYUDHWBXSA-N 1 0 237.347 0.457 20 30 BCEDRO CN(C)C(=O)CC[NH+]1CCC(F)(C#N)CC1 ZINC000352459522 356360866 /nfs/dbraw/zinc/36/08/66/356360866.db2.gz ZWSMSDRZJUARRM-UHFFFAOYSA-N 1 0 227.283 0.792 20 30 BCEDRO C=CCN1CC[C@@H](N(C)C2(C[NH3+])CCC2)C1=O ZINC000420325551 192229940 /nfs/dbraw/zinc/22/99/40/192229940.db2.gz IUNFSMILKQWFTR-LLVKDONJSA-N 1 0 237.347 0.587 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420365176 192223838 /nfs/dbraw/zinc/22/38/38/192223838.db2.gz KWOAFWRYGBCFGF-JFGNBEQYSA-N 1 0 225.336 0.265 20 30 BCEDRO CC[N@H+](C[C@@H](C)O)[C@H](C)C(=O)N(C)CCC#N ZINC000352222816 134109571 /nfs/dbraw/zinc/10/95/71/134109571.db2.gz SIGDURFGYNNDLO-GHMZBOCLSA-N 1 0 241.335 0.450 20 30 BCEDRO C[C@@H](CC#N)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000609804208 356474191 /nfs/dbraw/zinc/47/41/91/356474191.db2.gz FCIHUMKGEAJLST-GXSJLCMTSA-N 1 0 247.302 0.417 20 30 BCEDRO C=C(C)CS(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000336166375 134113359 /nfs/dbraw/zinc/11/33/59/134113359.db2.gz AJWXPWWTYMLBGI-UHFFFAOYSA-N 1 0 246.376 0.918 20 30 BCEDRO CC(C)(C#N)CCC[N@H+](CCO)CCCO ZINC000350115321 366253528 /nfs/dbraw/zinc/25/35/28/366253528.db2.gz MECQDJHKCCAOTO-UHFFFAOYSA-N 1 0 228.336 0.993 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000333625124 134119713 /nfs/dbraw/zinc/11/97/13/134119713.db2.gz UXLSKPNDKHPBIR-HBNTYKKESA-N 1 0 242.344 0.845 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420932541 192286969 /nfs/dbraw/zinc/28/69/69/192286969.db2.gz HDPMWPNXTAYEBF-RYUDHWBXSA-N 1 0 243.347 0.785 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000449984820 202062653 /nfs/dbraw/zinc/06/26/53/202062653.db2.gz KKMVEGREHALRSM-UZWSLXQKSA-N 1 0 235.331 0.945 20 30 BCEDRO CC#CCN(C)C(=O)NCCOCCC[NH3+] ZINC000627221132 363519492 /nfs/dbraw/zinc/51/94/92/363519492.db2.gz XDPFVJXVRFCAMP-UHFFFAOYSA-N 1 0 227.308 0.017 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000450204260 202094432 /nfs/dbraw/zinc/09/44/32/202094432.db2.gz UDZQTEAPAKHZFY-MNOVXSKESA-N 1 0 224.304 0.399 20 30 BCEDRO C=CCC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639730786 356624370 /nfs/dbraw/zinc/62/43/70/356624370.db2.gz QURRVDFRYLZHAN-UHFFFAOYSA-N 1 0 207.281 0.503 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000336422371 134146782 /nfs/dbraw/zinc/14/67/82/134146782.db2.gz AXUKXVRIKLYWJN-NSHDSACASA-N 1 0 223.320 0.069 20 30 BCEDRO N#Cc1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000088287442 356655393 /nfs/dbraw/zinc/65/53/93/356655393.db2.gz ACXVOBAJHQPKCG-PHIMTYICSA-N 1 0 214.272 0.609 20 30 BCEDRO C#CC[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000367133631 134150846 /nfs/dbraw/zinc/15/08/46/134150846.db2.gz OLCBNYKIDSXOOL-VXGBXAGGSA-N 1 0 208.305 0.415 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N(CC#N)C1CC1 ZINC000336617494 134151513 /nfs/dbraw/zinc/15/15/13/134151513.db2.gz HMHNOMGSWUUTGR-SNVBAGLBSA-N 1 0 207.277 0.595 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)CC(C)(C)O ZINC000304108002 134159710 /nfs/dbraw/zinc/15/97/10/134159710.db2.gz DLFAVAQTMBQETL-UHFFFAOYSA-N 1 0 241.335 0.451 20 30 BCEDRO C=CC1CC[NH+](C[C@@H](O)COCCOC)CC1 ZINC000450384551 202149524 /nfs/dbraw/zinc/14/95/24/202149524.db2.gz BNLIZUJQNSQLBZ-CYBMUJFWSA-N 1 0 243.347 0.908 20 30 BCEDRO C[C@H](C[NH+](C)C)NC(=O)NCCCCC#N ZINC000352901721 134158555 /nfs/dbraw/zinc/15/85/55/134158555.db2.gz QLTPORREMFLQGR-SNVBAGLBSA-N 1 0 226.324 0.930 20 30 BCEDRO N#CCCCC[N@H+]1C[C@H]2CCS(=O)(=O)[C@H]2C1 ZINC000353119672 134161919 /nfs/dbraw/zinc/16/19/19/134161919.db2.gz OQTISBGCJNCHLV-MNOVXSKESA-N 1 0 242.344 0.799 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000354632442 134169548 /nfs/dbraw/zinc/16/95/48/134169548.db2.gz FZXNWMSFLQSKIB-GVXVVHGQSA-N 1 0 240.347 0.912 20 30 BCEDRO C=CCOCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000354893147 134170528 /nfs/dbraw/zinc/17/05/28/134170528.db2.gz XUMAQMAEGOGTPA-SNVBAGLBSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCOCC(=O)N(C)CC[NH+]1CCCC1 ZINC000354875635 134170694 /nfs/dbraw/zinc/17/06/94/134170694.db2.gz AHYCFBMBGLRIMM-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC[NH+]1CCC1 ZINC000355345938 134172791 /nfs/dbraw/zinc/17/27/91/134172791.db2.gz JQENYCXVHPMYMG-NSHDSACASA-N 1 0 212.293 0.135 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355118891 134171833 /nfs/dbraw/zinc/17/18/33/134171833.db2.gz CCFRMDUVIWPTNS-NSHDSACASA-N 1 0 221.304 0.546 20 30 BCEDRO CCC[N@H+](C)CC(=O)N(CC#N)CC#N ZINC000355598123 134173909 /nfs/dbraw/zinc/17/39/09/134173909.db2.gz OXINHJXVIOKISA-UHFFFAOYSA-N 1 0 208.265 0.204 20 30 BCEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)CC#N ZINC000356997986 134181698 /nfs/dbraw/zinc/18/16/98/134181698.db2.gz KCNSWKPNCPROKI-JTQLQIEISA-N 1 0 227.308 0.373 20 30 BCEDRO C=CCNC(=O)CN1CCOC(C)(C)[C@@H]1C ZINC000357320929 134182798 /nfs/dbraw/zinc/18/27/98/134182798.db2.gz YBPALUVERKSMCY-JTQLQIEISA-N 1 0 226.320 0.788 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCN(C2CCC2)C1=O ZINC000639864979 356955343 /nfs/dbraw/zinc/95/53/43/356955343.db2.gz LQWGFVASVXQQES-MWLCHTKSSA-N 1 0 224.304 0.276 20 30 BCEDRO C=CCOCC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000582295986 357030115 /nfs/dbraw/zinc/03/01/15/357030115.db2.gz CKIUIIVFWLXTPY-GHMZBOCLSA-N 1 0 226.320 0.823 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000582367212 357108428 /nfs/dbraw/zinc/10/84/28/357108428.db2.gz RWTZFVBVWNSVLT-RYUDHWBXSA-N 1 0 239.363 0.690 20 30 BCEDRO CC[N@H+](CCOCCC#N)CC(=O)N(C)C ZINC000385306494 357138666 /nfs/dbraw/zinc/13/86/66/357138666.db2.gz MBJPQDHNIMVHPD-UHFFFAOYSA-N 1 0 227.308 0.327 20 30 BCEDRO N#Cc1cncnc1N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000582417064 357140242 /nfs/dbraw/zinc/14/02/42/357140242.db2.gz CRTKRJSTLJJVIC-LBPRGKRZSA-N 1 0 241.298 0.799 20 30 BCEDRO C[C@@H](CO)[C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000358805295 134192780 /nfs/dbraw/zinc/19/27/80/134192780.db2.gz HMMXCLRARIRANW-DCAQKATOSA-N 1 0 241.335 0.353 20 30 BCEDRO C=CCOc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000628414496 357229828 /nfs/dbraw/zinc/22/98/28/357229828.db2.gz PTUCCLWRBXMWTM-KBPBESRZSA-N 1 0 249.310 0.789 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358718802 134192466 /nfs/dbraw/zinc/19/24/66/134192466.db2.gz YOGSNRLBHXAFKW-PHIMTYICSA-N 1 0 226.320 0.740 20 30 BCEDRO CCOC[C@@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000393748169 357295669 /nfs/dbraw/zinc/29/56/69/357295669.db2.gz SUCRUARDYJIRDE-JTQLQIEISA-N 1 0 212.293 0.667 20 30 BCEDRO COCC[N@H+](C)C[C@H](O)CN(C)C[C@@H](C)C#N ZINC000393850586 357303273 /nfs/dbraw/zinc/30/32/73/357303273.db2.gz RCRDUJNWTHTUST-RYUDHWBXSA-N 1 0 243.351 0.017 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000360207897 134199166 /nfs/dbraw/zinc/19/91/66/134199166.db2.gz SJHRTTPTAXNKOD-JTQLQIEISA-N 1 0 234.365 0.822 20 30 BCEDRO CCC[C@@H](C#N)NC(=O)[C@H]1CN(C)CCO1 ZINC000610257915 357388628 /nfs/dbraw/zinc/38/86/28/357388628.db2.gz GYFFUBMTPIRWNJ-VHSXEESVSA-N 1 0 225.292 0.125 20 30 BCEDRO C[NH+](C)CC(=O)NCC(C)(C)CCC#N ZINC000360431173 134200583 /nfs/dbraw/zinc/20/05/83/134200583.db2.gz QOQCYEPYBUUZMH-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO CC(=O)N[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000583148892 357495222 /nfs/dbraw/zinc/49/52/22/357495222.db2.gz SHBFPAVPRTUHEE-MWLCHTKSSA-N 1 0 209.293 0.889 20 30 BCEDRO CCNC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000397205508 357507205 /nfs/dbraw/zinc/50/72/05/357507205.db2.gz SQXNKMJSXZERKD-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@@H](C(=O)NC(N)=O)[NH+]1CCC(CC#N)CC1 ZINC000397178707 357508262 /nfs/dbraw/zinc/50/82/62/357508262.db2.gz HWVBDIJQCKRTBO-QMMMGPOBSA-N 1 0 238.291 0.195 20 30 BCEDRO C=CCCS(=O)(=O)N(C)CCC[NH3+] ZINC000379618942 357446089 /nfs/dbraw/zinc/44/60/89/357446089.db2.gz CAXDZEBLZKPLEE-UHFFFAOYSA-N 1 0 206.311 0.173 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CC[NH2+]C1CC1 ZINC000583034773 357465916 /nfs/dbraw/zinc/46/59/16/357465916.db2.gz OEDSZIKMQBFDJP-UHFFFAOYSA-N 1 0 219.248 0.362 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CC(C)(C#N)C1 ZINC000361221375 134203906 /nfs/dbraw/zinc/20/39/06/134203906.db2.gz RXECBFUMUJHMRF-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO CCN(CCC[NH+](C)C)S(=O)(=O)[C@@H](C)C#N ZINC000230714078 357573739 /nfs/dbraw/zinc/57/37/39/357573739.db2.gz KEBLYIIZAUFGFS-JTQLQIEISA-N 1 0 247.364 0.502 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230378235 357531726 /nfs/dbraw/zinc/53/17/26/357531726.db2.gz HKKPXZYJJFTNDD-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CC[N@@H+](CCOC)[C@@H]1CCCCNC1=O ZINC000189422504 357640319 /nfs/dbraw/zinc/64/03/19/357640319.db2.gz ROACVKAQXYTMRG-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H](O)COC(C)C ZINC000189424876 357640332 /nfs/dbraw/zinc/64/03/32/357640332.db2.gz VGXXRTGSVREREQ-GFCCVEGCSA-N 1 0 231.336 0.907 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CC#N)CC#N ZINC000362724082 134213915 /nfs/dbraw/zinc/21/39/15/134213915.db2.gz AJHFENBEYADUHZ-ZJUUUORDSA-N 1 0 220.276 0.060 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000362876005 134214602 /nfs/dbraw/zinc/21/46/02/134214602.db2.gz OBOCXRPKXISZIZ-WISYIIOYSA-N 1 0 235.331 0.993 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@H](O)COC ZINC000191093412 357749261 /nfs/dbraw/zinc/74/92/61/357749261.db2.gz HLVVFJZXQNGWEV-JTQLQIEISA-N 1 0 203.282 0.128 20 30 BCEDRO C=CC[N@@H+](CCOC)[C@@H](C)CN1CCOCC1 ZINC000191140389 357752519 /nfs/dbraw/zinc/75/25/19/357752519.db2.gz NWARASPTQUHCNB-ZDUSSCGKSA-N 1 0 242.363 0.842 20 30 BCEDRO CC(C)[N@@H+]1CCO[C@H](C(=O)NCCCC#N)C1 ZINC000368576320 134219338 /nfs/dbraw/zinc/21/93/38/134219338.db2.gz QRKSBOKAEFIUEB-NSHDSACASA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCC[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000369316001 134222193 /nfs/dbraw/zinc/22/21/93/134222193.db2.gz XZOXMLKGHOFDJA-VXGBXAGGSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CC[N@@H+]1C[C@]2(CCOC2)OC(C)(C)C1 ZINC000369865950 134223257 /nfs/dbraw/zinc/22/32/57/134223257.db2.gz WFSSYFWSZBKZAQ-LBPRGKRZSA-N 1 0 209.289 0.890 20 30 BCEDRO COC[C@H](C)OC[C@@H](O)CN(C)C[C@@H](C)C#N ZINC000234697849 357822632 /nfs/dbraw/zinc/82/26/32/357822632.db2.gz ZNGOBENKESKSDU-SRVKXCTJSA-N 1 0 244.335 0.490 20 30 BCEDRO C=CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000369253211 134222098 /nfs/dbraw/zinc/22/20/98/134222098.db2.gz RTNCYPZRBFVNIT-VXGBXAGGSA-N 1 0 210.321 0.703 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000192918472 357853554 /nfs/dbraw/zinc/85/35/54/357853554.db2.gz AECXQNFEMDQFIH-PHIMTYICSA-N 1 0 244.360 0.386 20 30 BCEDRO N#CCCCC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000168506712 134225089 /nfs/dbraw/zinc/22/50/89/134225089.db2.gz FEWDFVHWECGVEB-NSHDSACASA-N 1 0 221.304 0.987 20 30 BCEDRO CC#CCN1CCC[C@@H]1C[N@@H+]1CCC[C@@H]1CO ZINC000370355084 134225789 /nfs/dbraw/zinc/22/57/89/134225789.db2.gz KERCEPFAEZGSCH-ZIAGYGMSSA-N 1 0 236.359 0.931 20 30 BCEDRO CO[C@@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000234823697 357832822 /nfs/dbraw/zinc/83/28/22/357832822.db2.gz CCMVAWATOBPSPX-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO C[N@H+]1C[C@H]2CN(C(=O)CSCC#N)C[C@H]2C1 ZINC000192488914 357835547 /nfs/dbraw/zinc/83/55/47/357835547.db2.gz SADXXWJSYBSWGX-AOOOYVTPSA-N 1 0 239.344 0.263 20 30 BCEDRO CO[C@@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1(C)C ZINC000234855343 357838871 /nfs/dbraw/zinc/83/88/71/357838871.db2.gz GQPUDDKIEZWPNF-DTWKUNHWSA-N 1 0 225.292 0.029 20 30 BCEDRO CN(C)C(=[NH+]C[C@@H]1[C@H]2COC[C@H]21)N(C)C ZINC000370740363 134226996 /nfs/dbraw/zinc/22/69/96/134226996.db2.gz SMPWKOPTCBSIQT-OWUUHHOZSA-N 1 0 211.309 0.358 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000235518796 357875139 /nfs/dbraw/zinc/87/51/39/357875139.db2.gz OMYISRQLFUUWEV-ZMLRMANQSA-N 1 0 236.315 0.281 20 30 BCEDRO C[C@H](CC#N)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000371980622 134230127 /nfs/dbraw/zinc/23/01/27/134230127.db2.gz RIFHCTLJUMANTK-MWLCHTKSSA-N 1 0 221.304 0.747 20 30 BCEDRO CNC(NCc1ccnc(-n2cccn2)c1)=[NH+]C ZINC000303262096 134233035 /nfs/dbraw/zinc/23/30/35/134233035.db2.gz PLEPZVDQOXBJJS-UHFFFAOYSA-N 1 0 244.302 0.562 20 30 BCEDRO COCC#CC[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000639934766 357931548 /nfs/dbraw/zinc/93/15/48/357931548.db2.gz GDPGNQLQVDOIMW-VXGBXAGGSA-N 1 0 211.305 0.872 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639937784 357939211 /nfs/dbraw/zinc/93/92/11/357939211.db2.gz XOWMYFOEJWFSGW-NEPJUHHUSA-N 1 0 211.305 0.729 20 30 BCEDRO CC[NH+](CC)CCNS(=O)(=O)CCCC#N ZINC000121495486 134233968 /nfs/dbraw/zinc/23/39/68/134233968.db2.gz CBMYIHZWMJNROS-UHFFFAOYSA-N 1 0 247.364 0.551 20 30 BCEDRO CC(C)C[C@H](C#N)NC(=O)[C@H](C)[NH+](C)C ZINC000610560046 357987212 /nfs/dbraw/zinc/98/72/12/357987212.db2.gz SFJPUCLBMGKRQM-VHSXEESVSA-N 1 0 211.309 0.991 20 30 BCEDRO CC[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)OC ZINC000584465698 357992509 /nfs/dbraw/zinc/99/25/09/357992509.db2.gz XITXWIGJSSCQAC-VXGBXAGGSA-N 1 0 243.351 0.207 20 30 BCEDRO N#CCCCC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000374562868 134237179 /nfs/dbraw/zinc/23/71/79/134237179.db2.gz XYLNJVSJCORLSF-JTQLQIEISA-N 1 0 223.276 0.817 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375514217 134239727 /nfs/dbraw/zinc/23/97/27/134239727.db2.gz WNTUHRYQSXNWAH-RNFRBKRXSA-N 1 0 220.194 0.215 20 30 BCEDRO CO/N=C/C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000376408000 134242236 /nfs/dbraw/zinc/24/22/36/134242236.db2.gz NYMRRQJXATVWKZ-BOXMQNKESA-N 1 0 239.319 0.704 20 30 BCEDRO C=CCC[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000376540928 134242821 /nfs/dbraw/zinc/24/28/21/134242821.db2.gz MJRSTNKIBPYULF-SNVBAGLBSA-N 1 0 213.277 0.826 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)N[C@H](C)C[NH+](C)C ZINC000168790649 134247659 /nfs/dbraw/zinc/24/76/59/134247659.db2.gz FHXHVIZSWKAQAN-KOLCDFICSA-N 1 0 211.309 0.993 20 30 BCEDRO [NH2+]=C(NCc1nccs1)N1CCOCC1 ZINC000170907168 134254984 /nfs/dbraw/zinc/25/49/84/134254984.db2.gz JXMBVMWRYSVSLV-UHFFFAOYSA-N 1 0 226.305 0.290 20 30 BCEDRO C[NH+](C)CC(=O)N1CCC[C@@H](CC#N)C1 ZINC000397647668 363597540 /nfs/dbraw/zinc/59/75/40/363597540.db2.gz SQCHKGVHTAZLHC-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCOC1)N1CCSCC1 ZINC000170908691 134255073 /nfs/dbraw/zinc/25/50/73/134255073.db2.gz KQNBCDXXRNLKNA-JTQLQIEISA-N 1 0 243.376 0.777 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCOC1)N1CCSCC1 ZINC000170908688 134255099 /nfs/dbraw/zinc/25/50/99/134255099.db2.gz KQNBCDXXRNLKNA-SNVBAGLBSA-N 1 0 243.376 0.777 20 30 BCEDRO CN(C)C(=[NH2+])NCC(=O)NC1CCCCC1 ZINC000170913168 134255585 /nfs/dbraw/zinc/25/55/85/134255585.db2.gz QMIPZPZLPJEAAT-UHFFFAOYSA-N 1 0 226.324 0.312 20 30 BCEDRO C=C(C)CC[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640051036 358145637 /nfs/dbraw/zinc/14/56/37/358145637.db2.gz DPAUFCVWWZKTMT-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000547404411 325351357 /nfs/dbraw/zinc/35/13/57/325351357.db2.gz GSGZFMVRSCVADO-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000547404735 325351367 /nfs/dbraw/zinc/35/13/67/325351367.db2.gz KDTRNCDANCOUIL-GRYCIOLGSA-N 1 0 240.347 0.912 20 30 BCEDRO CN(Cc1ccc(C#N)cc1)[C@H]1CC(=O)NC1=O ZINC000584728569 358167050 /nfs/dbraw/zinc/16/70/50/358167050.db2.gz PIORIAIIGYOVOF-NSHDSACASA-N 1 0 243.266 0.405 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)COCCOC)C1CC1 ZINC000450646180 202221916 /nfs/dbraw/zinc/22/19/16/202221916.db2.gz QODNDPOMINYJLB-LBPRGKRZSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CC1CC[NH+](CCC(=O)NC(=O)NC)CC1 ZINC000171952855 134263537 /nfs/dbraw/zinc/26/35/37/134263537.db2.gz UQAJSVOWZCHKNF-UHFFFAOYSA-N 1 0 239.319 0.730 20 30 BCEDRO CCNC(=[NH2+])NC[C@H](O)c1ccccc1F ZINC000264084003 535423130 /nfs/dbraw/zinc/42/31/30/535423130.db2.gz IJNDQWSODSTGOF-JTQLQIEISA-N 1 0 225.267 0.783 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](O)c1cccc(C)c1 ZINC000268998592 535422831 /nfs/dbraw/zinc/42/28/31/535422831.db2.gz XNWQLTDEEUHPJV-LLVKDONJSA-N 1 0 221.304 0.953 20 30 BCEDRO CCNC(=[NH2+])NC[C@@](C)(O)c1ccc(F)cc1 ZINC000270454932 535422938 /nfs/dbraw/zinc/42/29/38/535422938.db2.gz VQNNNBIYAYEXSW-GFCCVEGCSA-N 1 0 239.294 0.957 20 30 BCEDRO CCNC(=[NH2+])NCCn1c2ccccc2[nH]c1=O ZINC000267590669 535423049 /nfs/dbraw/zinc/42/30/49/535423049.db2.gz CVUSVYMLFDGEDI-UHFFFAOYSA-N 1 0 247.302 0.254 20 30 BCEDRO CCNC(=[NH2+])NCc1cccc(-n2cncn2)c1 ZINC000267471582 535424127 /nfs/dbraw/zinc/42/41/27/535424127.db2.gz XZXQAEYNPUSCIE-UHFFFAOYSA-N 1 0 244.302 0.692 20 30 BCEDRO CC[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C#N)C1 ZINC000044752611 358552973 /nfs/dbraw/zinc/55/29/73/358552973.db2.gz QADCKBRNBCKUDU-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C#CC[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000125021933 358532198 /nfs/dbraw/zinc/53/21/98/358532198.db2.gz BTLYCBUXXBHZDV-MNOVXSKESA-N 1 0 206.289 0.610 20 30 BCEDRO CC#CCC[NH2+]Cc1cnc(N(C)C)n1C ZINC000125457469 358539386 /nfs/dbraw/zinc/53/93/86/358539386.db2.gz MWWOBKRFZZQNDR-UHFFFAOYSA-N 1 0 220.320 0.989 20 30 BCEDRO CC[N@H+](CCO)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000049754516 358700575 /nfs/dbraw/zinc/70/05/75/358700575.db2.gz SRPPIOJALIJIPV-GFCCVEGCSA-N 1 0 239.319 0.109 20 30 BCEDRO C=CC[NH+](CC=C)CCC(=O)N1CCOCC1 ZINC000051767002 358761644 /nfs/dbraw/zinc/76/16/44/358761644.db2.gz ITWLSTNNRBHYGN-UHFFFAOYSA-N 1 0 238.331 0.909 20 30 BCEDRO C=C(C)COCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000132642849 358732027 /nfs/dbraw/zinc/73/20/27/358732027.db2.gz OYEGOQAMDBUCAZ-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C[NH+](C)C1CN(C(=O)C2(C#N)CCOCC2)C1 ZINC000134918642 358811248 /nfs/dbraw/zinc/81/12/48/358811248.db2.gz VPUVMTWTHNMYRG-UHFFFAOYSA-N 1 0 237.303 0.079 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CC)[C@H]1CCOC1 ZINC000134402510 358789223 /nfs/dbraw/zinc/78/92/23/358789223.db2.gz YPAXVAYUWHQSRU-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO CCC#C[C@@H](C)N1CCO[C@@H](C(=O)OC)C1 ZINC000611158385 358902681 /nfs/dbraw/zinc/90/26/81/358902681.db2.gz UJFLDSGNMFFKEF-GHMZBOCLSA-N 1 0 225.288 0.662 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000611194639 359119596 /nfs/dbraw/zinc/11/95/96/359119596.db2.gz KEXWBKDIPVFTPG-SNVBAGLBSA-N 1 0 211.261 0.131 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000075889790 359244258 /nfs/dbraw/zinc/24/42/58/359244258.db2.gz LENXPCDNSDZMMF-CYBMUJFWSA-N 1 0 222.332 0.806 20 30 BCEDRO C[N@H+](CCc1cccs1)CC(=O)NCC#N ZINC000075966704 359248316 /nfs/dbraw/zinc/24/83/16/359248316.db2.gz JLKQKOJLIUZWLG-UHFFFAOYSA-N 1 0 237.328 0.862 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000611237437 359205249 /nfs/dbraw/zinc/20/52/49/359205249.db2.gz KECJAULFBPEMGF-UWVGGRQHSA-N 1 0 213.277 0.418 20 30 BCEDRO COCC#CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000308904094 491140002 /nfs/dbraw/zinc/14/00/02/491140002.db2.gz CBPKHHHWXAUYGN-NWDGAFQWSA-N 1 0 211.305 0.777 20 30 BCEDRO C=CCC1(C(=O)NCCC[NH3+])CCOCC1 ZINC000424060267 192853525 /nfs/dbraw/zinc/85/35/25/192853525.db2.gz PVYXCOITBVMEMJ-UHFFFAOYSA-N 1 0 226.320 0.824 20 30 BCEDRO C=CCCn1cc(C(=O)NCC[C@@H](C)[NH3+])nn1 ZINC000424075262 192860662 /nfs/dbraw/zinc/86/06/62/192860662.db2.gz JCBOAARZLFAAQS-SECBINFHSA-N 1 0 237.307 0.321 20 30 BCEDRO N#CCC1CC[NH+](CCOCCO)CC1 ZINC000397199953 359647546 /nfs/dbraw/zinc/64/75/46/359647546.db2.gz POOQWNLILARFMU-UHFFFAOYSA-N 1 0 212.293 0.621 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H](C)Cn1cccn1 ZINC000309021341 491142764 /nfs/dbraw/zinc/14/27/64/491142764.db2.gz XEHCIMIPJVNZOO-MNOVXSKESA-N 1 0 209.293 0.798 20 30 BCEDRO Cc1nccn1CCCNc1ncncc1C#N ZINC000578399562 366554733 /nfs/dbraw/zinc/55/47/33/366554733.db2.gz YBJUPFDAPFRNPV-UHFFFAOYSA-N 1 0 242.286 0.777 20 30 BCEDRO C[C@@H]1C[N@H+](CCO)CCN1c1cccc(C#N)n1 ZINC000450956608 202318328 /nfs/dbraw/zinc/31/83/28/202318328.db2.gz RWRSRXGPAVYEGY-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO C=C(C)CCNc1cc[nH+]cc1C(N)=O ZINC000578484665 366578050 /nfs/dbraw/zinc/57/80/50/366578050.db2.gz XJDFPDUGHBMCGB-UHFFFAOYSA-N 1 0 205.261 0.981 20 30 BCEDRO CC[C@@H](CO)[N@H+](C)CC(=O)N(CC)CCC#N ZINC000451151917 202364652 /nfs/dbraw/zinc/36/46/52/202364652.db2.gz AKAOEAHBPPCWLJ-NSHDSACASA-N 1 0 241.335 0.451 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000578659567 366622233 /nfs/dbraw/zinc/62/22/33/366622233.db2.gz WRDIENDOSVSDLO-WDEREUQCSA-N 1 0 221.304 0.891 20 30 BCEDRO CC#CCCNC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487231128 259506862 /nfs/dbraw/zinc/50/68/62/259506862.db2.gz YXNOFHWTHVLLMQ-GHMZBOCLSA-N 1 0 208.305 0.714 20 30 BCEDRO C[NH2+]CCCn1cc2c(c(C#N)c1=O)CCC2 ZINC000578624004 366609947 /nfs/dbraw/zinc/60/99/47/366609947.db2.gz TZEUUXMVRHGXTH-UHFFFAOYSA-N 1 0 231.299 0.818 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000088485866 359958709 /nfs/dbraw/zinc/95/87/09/359958709.db2.gz DMUDDHDOIDXBDO-SNVBAGLBSA-N 1 0 245.348 0.256 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000451483562 202429755 /nfs/dbraw/zinc/42/97/55/202429755.db2.gz AYEUNBZLWVPAID-UWVGGRQHSA-N 1 0 226.320 0.692 20 30 BCEDRO C=CCCCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000578865303 366660454 /nfs/dbraw/zinc/66/04/54/366660454.db2.gz MAYXRNRXELVMFO-LLVKDONJSA-N 1 0 225.336 0.444 20 30 BCEDRO C[N@H+](Cc1ccnc(C#N)c1)C1CC(O)C1 ZINC000612740971 360043075 /nfs/dbraw/zinc/04/30/75/360043075.db2.gz FYFUFDNZDRKCLX-UHFFFAOYSA-N 1 0 217.272 0.908 20 30 BCEDRO C[C@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC#N ZINC000094447215 360308727 /nfs/dbraw/zinc/30/87/27/360308727.db2.gz HTOZGFXAKSYGCG-WDEREUQCSA-N 1 0 221.304 0.985 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000613128588 360397622 /nfs/dbraw/zinc/39/76/22/360397622.db2.gz HJNPYOVESFTHTC-CMPLNLGQSA-N 1 0 240.347 0.722 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000613128589 360397915 /nfs/dbraw/zinc/39/79/15/360397915.db2.gz HJNPYOVESFTHTC-JQWIXIFHSA-N 1 0 240.347 0.722 20 30 BCEDRO COCC#CC[NH2+][C@]1(CCOC)CCOC1 ZINC000309485124 491149592 /nfs/dbraw/zinc/14/95/92/491149592.db2.gz VEFZFISIYSSQHQ-GFCCVEGCSA-N 1 0 227.304 0.421 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000449750392 200701290 /nfs/dbraw/zinc/70/12/90/200701290.db2.gz IXDJQNUYIRORSP-SECBINFHSA-N 1 0 212.293 0.446 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2cn[nH]c2)CC1 ZINC000095954829 200813054 /nfs/dbraw/zinc/81/30/54/200813054.db2.gz WKDXEPGAZDPDAI-UHFFFAOYSA-N 1 0 232.287 0.693 20 30 BCEDRO NC(=[NH2+])NCc1ccn(C2CCCC2)n1 ZINC000119073482 181322515 /nfs/dbraw/zinc/32/25/15/181322515.db2.gz GWASKHNKRWNMSH-UHFFFAOYSA-N 1 0 207.281 0.772 20 30 BCEDRO CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1CCSC1 ZINC000424151970 200868883 /nfs/dbraw/zinc/86/88/83/200868883.db2.gz IWNVXKLMTSRZCA-UWVGGRQHSA-N 1 0 241.360 0.971 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000424213340 200890624 /nfs/dbraw/zinc/89/06/24/200890624.db2.gz TYIMLPPDRYRUNQ-RHYQMDGZSA-N 1 0 238.331 0.821 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000424217435 200891346 /nfs/dbraw/zinc/89/13/46/200891346.db2.gz LLMPUWYGNKCYAG-HBNTYKKESA-N 1 0 237.303 0.173 20 30 BCEDRO C=CCn1cc(CN[C@@H]2C[NH2+]CC[C@H]2C)nn1 ZINC000424376358 200926173 /nfs/dbraw/zinc/92/61/73/200926173.db2.gz LLRFLJSQZJJNHV-ZYHUDNBSSA-N 1 0 235.335 0.552 20 30 BCEDRO CCC[NH2+]CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424470321 200928933 /nfs/dbraw/zinc/92/89/33/200928933.db2.gz AYRGWCQWNQYCCK-WDEREUQCSA-N 1 0 238.335 0.977 20 30 BCEDRO CC(C)[N@@H+]1CCCN(CC(=O)NCC#N)CC1 ZINC000066498296 361295576 /nfs/dbraw/zinc/29/55/76/361295576.db2.gz UAALVSKLQMENSH-UHFFFAOYSA-N 1 0 238.335 0.042 20 30 BCEDRO C[NH+](C)CCNC(=O)c1ccc(C#N)s1 ZINC000428342742 201009164 /nfs/dbraw/zinc/00/91/64/201009164.db2.gz YAXGVIMIBKEIKP-UHFFFAOYSA-N 1 0 223.301 0.911 20 30 BCEDRO C=C(C)CC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428775519 201041664 /nfs/dbraw/zinc/04/16/64/201041664.db2.gz ZUGBVIOWXKMFAX-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000429127055 201071853 /nfs/dbraw/zinc/07/18/53/201071853.db2.gz JNMUZVIKDGPLAJ-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000429281392 201088569 /nfs/dbraw/zinc/08/85/69/201088569.db2.gz BPXSCZVQRIMUMX-WDEREUQCSA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C2(CO)CCC2)C1=O ZINC000429233347 201080348 /nfs/dbraw/zinc/08/03/48/201080348.db2.gz MHNHIWRZVVWYHT-NSHDSACASA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCOCC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000429380069 201107289 /nfs/dbraw/zinc/10/72/89/201107289.db2.gz LLHBZPUNEGSLMJ-NSHDSACASA-N 1 0 226.320 0.695 20 30 BCEDRO N#CC1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000579377241 366769390 /nfs/dbraw/zinc/76/93/90/366769390.db2.gz WRXDVDVYCOGOCR-JTQLQIEISA-N 1 0 222.292 0.293 20 30 BCEDRO C[C@H]1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC000429574703 201114508 /nfs/dbraw/zinc/11/45/08/201114508.db2.gz AZCJNXVXNLTKQX-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)NC(C)C ZINC000429718349 201130069 /nfs/dbraw/zinc/13/00/69/201130069.db2.gz MYIYNRCCJGESQR-UHFFFAOYSA-N 1 0 241.379 0.951 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000429770338 201131423 /nfs/dbraw/zinc/13/14/23/201131423.db2.gz UFHORBWMKXSBPS-QJPTWQEYSA-N 1 0 240.347 0.818 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000579472693 366820864 /nfs/dbraw/zinc/82/08/64/366820864.db2.gz JIRXPSABEKXQFF-NXEZZACHSA-N 1 0 212.293 0.433 20 30 BCEDRO COCCN1CC[C@@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000430001617 201138056 /nfs/dbraw/zinc/13/80/56/201138056.db2.gz DQCRTBFJTGKIOX-GFCCVEGCSA-N 1 0 237.347 0.991 20 30 BCEDRO Cn1cc(C[NH2+]C[C@H]2CCCC(=O)N2)cc1C#N ZINC000433176667 201163855 /nfs/dbraw/zinc/16/38/55/201163855.db2.gz REXMMXWDAFLQGV-LLVKDONJSA-N 1 0 246.314 0.655 20 30 BCEDRO CC(C)(CCC#N)C[NH+]1CCN(CCO)CC1 ZINC000435244454 201258263 /nfs/dbraw/zinc/25/82/63/201258263.db2.gz FBKFAGJSVSONEC-UHFFFAOYSA-N 1 0 239.363 0.926 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC000435735461 201286743 /nfs/dbraw/zinc/28/67/43/201286743.db2.gz NBHIFOIIHLJHTJ-ZYHUDNBSSA-N 1 0 236.319 0.886 20 30 BCEDRO C=C(C)CN(CC)C(=O)C(=O)N(CC)CC[NH3+] ZINC000629785486 361705625 /nfs/dbraw/zinc/70/56/25/361705625.db2.gz PMAWDJGEQLXWFV-UHFFFAOYSA-N 1 0 241.335 0.218 20 30 BCEDRO CC#CCC[NH+]1CCN(Cc2nccn2C)CC1 ZINC000155583686 201342564 /nfs/dbraw/zinc/34/25/64/201342564.db2.gz NXCUJXIEIUFULX-UHFFFAOYSA-N 1 0 246.358 0.951 20 30 BCEDRO N#CC1(CN2CC[C@@H](n3cncn3)C2)CC1 ZINC000614419011 363808811 /nfs/dbraw/zinc/80/88/11/363808811.db2.gz QQKYIWOTOBRMBR-SNVBAGLBSA-N 1 0 217.276 0.829 20 30 BCEDRO CC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000027343968 363886357 /nfs/dbraw/zinc/88/63/57/363886357.db2.gz NFCNRFAHUCDCMP-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000329188429 363898980 /nfs/dbraw/zinc/89/89/80/363898980.db2.gz PKGNVTHKUZKQQO-LNFKQOIKSA-N 1 0 242.344 0.701 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000614834091 363988811 /nfs/dbraw/zinc/98/88/11/363988811.db2.gz HANLKXSWJDNCOG-WOPDTQHZSA-N 1 0 238.331 0.619 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000614834089 363989195 /nfs/dbraw/zinc/98/91/95/363989195.db2.gz HANLKXSWJDNCOG-TUAOUCFPSA-N 1 0 238.331 0.619 20 30 BCEDRO N#Cc1ccc(CN[C@H](C[NH3+])C2CC2)o1 ZINC000600769765 364025098 /nfs/dbraw/zinc/02/50/98/364025098.db2.gz QVEPLXPYPARPPM-LLVKDONJSA-N 1 0 205.261 0.978 20 30 BCEDRO C=CCNC(=O)Cn1cc([C@@](C)([NH3+])CC)nn1 ZINC000630610998 364339166 /nfs/dbraw/zinc/33/91/66/364339166.db2.gz UMELIKJYFIHTTA-NSHDSACASA-N 1 0 237.307 0.164 20 30 BCEDRO C=CCNC(=O)Cn1cc([C@H]([NH3+])C(C)C)nn1 ZINC000630610071 364339958 /nfs/dbraw/zinc/33/99/58/364339958.db2.gz HVCILYSTCJNQCU-LLVKDONJSA-N 1 0 237.307 0.236 20 30 BCEDRO C=CCCn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000630591364 364304762 /nfs/dbraw/zinc/30/47/62/364304762.db2.gz WBZXXILLYUQJRF-UHFFFAOYSA-N 1 0 249.362 0.820 20 30 BCEDRO COCCC[N@H+](CCO)Cc1ccnc(C#N)c1 ZINC000614996561 364307562 /nfs/dbraw/zinc/30/75/62/364307562.db2.gz PFRNUBOPPNVYRJ-UHFFFAOYSA-N 1 0 249.314 0.784 20 30 BCEDRO Cc1c(CNC(=[NH2+])NC2CC2)cnn1C ZINC000134131284 364392161 /nfs/dbraw/zinc/39/21/61/364392161.db2.gz AUGKBNIPXLFNBU-UHFFFAOYSA-N 1 0 207.281 0.295 20 30 BCEDRO C=CCNC(=O)CNCc1ccc(C)o1 ZINC000134228572 364394631 /nfs/dbraw/zinc/39/46/31/364394631.db2.gz TXNNOCBRLBLHSU-UHFFFAOYSA-N 1 0 208.261 0.980 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000134402445 364403064 /nfs/dbraw/zinc/40/30/64/364403064.db2.gz XKIVAUOKSGFUMN-ZJUUUORDSA-N 1 0 212.293 0.303 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H](C)C[N@@H+](CC)CCC ZINC000615062810 364442223 /nfs/dbraw/zinc/44/22/23/364442223.db2.gz AAPCFRFWSJOKGJ-GHMZBOCLSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)CN(C)C ZINC000134919623 364419603 /nfs/dbraw/zinc/41/96/03/364419603.db2.gz MSYBUCUGMLHUSQ-QWRGUYRKSA-N 1 0 200.326 0.853 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NCc1c[nH]cn1 ZINC000136267685 364468554 /nfs/dbraw/zinc/46/85/54/364468554.db2.gz HNZLFYPTIMZAQS-SNVBAGLBSA-N 1 0 206.249 0.966 20 30 BCEDRO C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)C[C@@H]1O ZINC000356991133 366854161 /nfs/dbraw/zinc/85/41/61/366854161.db2.gz VGTZOXYIEATNID-QWRGUYRKSA-N 1 0 239.319 0.061 20 30 BCEDRO N#CCN1CCC([NH2+]CC[C@H]2CCOC2)CC1 ZINC000615131681 364509824 /nfs/dbraw/zinc/50/98/24/364509824.db2.gz QKNKOXJBGFTGKL-LBPRGKRZSA-N 1 0 237.347 0.991 20 30 BCEDRO CC#CCN1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000182104339 366867449 /nfs/dbraw/zinc/86/74/49/366867449.db2.gz CIBQIRFETIVKOW-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO N#Cc1ccc([N+](=O)[O-])c(NC2C[NH2+]C2)c1 ZINC000130700674 364512392 /nfs/dbraw/zinc/51/23/92/364512392.db2.gz FEBOTCQXEBGBAW-UHFFFAOYSA-N 1 0 218.216 0.850 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615203332 364626334 /nfs/dbraw/zinc/62/63/34/364626334.db2.gz KUOGJWYUWDLACD-ZYHUDNBSSA-N 1 0 224.304 0.088 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615308152 364684570 /nfs/dbraw/zinc/68/45/70/364684570.db2.gz LJAWXSXXALUXEW-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO C=C(Br)CNC(=[NH2+])N(C)C ZINC000170911581 364701930 /nfs/dbraw/zinc/70/19/30/364701930.db2.gz CFGUQJKTSHEKFJ-UHFFFAOYSA-N 1 0 206.087 0.771 20 30 BCEDRO C#C[C@@H](C)[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000289068325 364717048 /nfs/dbraw/zinc/71/70/48/364717048.db2.gz ACZMNWZUXJGUHF-SNVBAGLBSA-N 1 0 224.304 0.235 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC000573316307 364795440 /nfs/dbraw/zinc/79/54/40/364795440.db2.gz PVJFJGWYAWOWGW-ONGXEEELSA-N 1 0 222.292 0.496 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1(C)CC1 ZINC000573438032 364832381 /nfs/dbraw/zinc/83/23/81/364832381.db2.gz WHWBDOHUQGFRBM-LLVKDONJSA-N 1 0 225.336 0.582 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)SCC[NH2+]C ZINC000573562060 364861609 /nfs/dbraw/zinc/86/16/09/364861609.db2.gz WYJVOKVWZPXZFZ-MRVPVSSYSA-N 1 0 245.348 0.339 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000574130062 364992959 /nfs/dbraw/zinc/99/29/59/364992959.db2.gz DPFVQCRSWGWPNG-AXFHLTTASA-N 1 0 224.304 0.398 20 30 BCEDRO N#CCC1(CNC(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000574220278 365014872 /nfs/dbraw/zinc/01/48/72/365014872.db2.gz DOEKCFHLHDPOPQ-VIFPVBQESA-N 1 0 222.292 0.341 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]2CC[NH2+][C@H]2C)nn1 ZINC000574755003 365135427 /nfs/dbraw/zinc/13/54/27/365135427.db2.gz SCUPGIGBVPYDRN-GXSJLCMTSA-N 1 0 249.318 0.078 20 30 BCEDRO N#Cc1cncc(N2CCC3(CC[NH2+]C3)CC2)n1 ZINC000574878672 365166210 /nfs/dbraw/zinc/16/62/10/365166210.db2.gz WCUCOAXSAMRKEA-UHFFFAOYSA-N 1 0 243.314 0.928 20 30 BCEDRO C[NH+]=C(NCCCN1CCOC1=O)NC1CC1 ZINC000171413056 365197713 /nfs/dbraw/zinc/19/77/13/365197713.db2.gz DWRQRHVWTCJUCI-UHFFFAOYSA-N 1 0 240.307 0.156 20 30 BCEDRO C[C@@H](C1CC1)[N@H+](CC(=O)NCC#N)C1CC1 ZINC000171732198 365230451 /nfs/dbraw/zinc/23/04/51/365230451.db2.gz DUHPIMZEBMXRFS-VIFPVBQESA-N 1 0 221.304 0.889 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000336725318 365365527 /nfs/dbraw/zinc/36/55/27/365365527.db2.gz GDZJGUBPYVCYRK-VHSXEESVSA-N 1 0 205.265 0.560 20 30 BCEDRO CC1(C)CN(C(=O)c2c[nH]c(C#N)c2)CC[NH2+]1 ZINC000182283096 366881440 /nfs/dbraw/zinc/88/14/40/366881440.db2.gz ZALFOUWZENMMQA-UHFFFAOYSA-N 1 0 232.287 0.710 20 30 BCEDRO C[C@@H]1CN(CCOCCC#N)C[C@@H](C)[NH+]1C ZINC000339622999 365469362 /nfs/dbraw/zinc/46/93/62/365469362.db2.gz KXEZIHZUMWCKGC-VXGBXAGGSA-N 1 0 225.336 0.941 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](C#N)CCC#N ZINC000576040807 365459609 /nfs/dbraw/zinc/45/96/09/365459609.db2.gz ULIHUZFHJSAFFW-WDEREUQCSA-N 1 0 207.277 0.957 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CO)[C@H](C)CCC ZINC000576044409 365460765 /nfs/dbraw/zinc/46/07/65/365460765.db2.gz SHSFHZXOHNDYEW-GHMZBOCLSA-N 1 0 228.336 0.675 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000182868596 366952740 /nfs/dbraw/zinc/95/27/40/366952740.db2.gz BRTDVFCKRUDVLM-GHMZBOCLSA-N 1 0 238.335 0.882 20 30 BCEDRO C=C(C)CS(=O)(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000184435447 367077193 /nfs/dbraw/zinc/07/71/93/367077193.db2.gz BQVSHMKPDIJMSD-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)NC(=O)C1(C#N)CCCC1 ZINC000580841169 367185912 /nfs/dbraw/zinc/18/59/12/367185912.db2.gz QRACXQFGVGDXJG-IUCAKERBSA-N 1 0 209.293 0.922 20 30 BCEDRO CC(=O)N1CC([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000581083523 367260422 /nfs/dbraw/zinc/26/04/22/367260422.db2.gz YSZCXNSWKVXNGW-UWVGGRQHSA-N 1 0 207.277 0.499 20 30 BCEDRO C[C@@H](O)C[N@H+](Cc1ccc(C#N)cn1)[C@H](C)CO ZINC000581455299 367478679 /nfs/dbraw/zinc/47/86/79/367478679.db2.gz CZBXHKWGQCENJO-GHMZBOCLSA-N 1 0 249.314 0.517 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]1OC ZINC000382101550 367485552 /nfs/dbraw/zinc/48/55/52/367485552.db2.gz GVPNAINUGFJZEA-GHMZBOCLSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@@H](O)COC(C)C ZINC000383011939 367585582 /nfs/dbraw/zinc/58/55/82/367585582.db2.gz BHJRNMNMMBEJKN-CYBMUJFWSA-N 1 0 242.363 0.317 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(C)[C@H](C)C[NH3+] ZINC000383022606 367587386 /nfs/dbraw/zinc/58/73/86/367587386.db2.gz SMQQHUYUVVQGMB-LLVKDONJSA-N 1 0 225.336 0.466 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=[NH2+])NC1CCCC1 ZINC000383123009 367597592 /nfs/dbraw/zinc/59/75/92/367597592.db2.gz HGKAQFWKPUSCPI-UHFFFAOYSA-N 1 0 236.363 0.998 20 30 BCEDRO C[C@H](CCC#N)N1CC[NH+](C[C@H](C)O)CC1 ZINC000581610421 367633590 /nfs/dbraw/zinc/63/35/90/367633590.db2.gz NDJZNKBQEICBOK-NEPJUHHUSA-N 1 0 225.336 0.677 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)nc2)C1 ZINC000259276074 370889977 /nfs/dbraw/zinc/88/99/77/370889977.db2.gz ZTVICOQTZMRQKA-LBPRGKRZSA-N 1 0 244.298 0.777 20 30 BCEDRO NC(=O)CC[NH2+]CC#Cc1cccc(F)c1 ZINC000581999033 368104779 /nfs/dbraw/zinc/10/47/79/368104779.db2.gz MECLAPTVXNEDNC-UHFFFAOYSA-N 1 0 220.247 0.642 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccncc1O ZINC000566736129 326078683 /nfs/dbraw/zinc/07/86/83/326078683.db2.gz MUCPQSJAOIFGTR-MRVPVSSYSA-N 1 0 234.259 0.169 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](F)(C#N)C2)C1 ZINC000615823643 368457474 /nfs/dbraw/zinc/45/74/74/368457474.db2.gz SPPKVVCUPMBDAW-GXSJLCMTSA-N 1 0 225.267 0.402 20 30 BCEDRO CCn1ccnc1CN1CCN(CC#N)CC1 ZINC000105818907 368462062 /nfs/dbraw/zinc/46/20/62/368462062.db2.gz PGDUJWSOVHIQPB-UHFFFAOYSA-N 1 0 233.319 0.544 20 30 BCEDRO C#CC[N@@H+]1C[C@@H](C(=O)NCCOC)CC[C@H]1C ZINC000064994704 368616468 /nfs/dbraw/zinc/61/64/68/368616468.db2.gz IDFGQAPZAZMZOQ-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO N#CCNC(=O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000066494387 368651540 /nfs/dbraw/zinc/65/15/40/368651540.db2.gz KHVBGOWGZJNMDE-JTQLQIEISA-N 1 0 237.303 0.127 20 30 BCEDRO COCCN(CC#N)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000457206186 203018926 /nfs/dbraw/zinc/01/89/26/203018926.db2.gz RVXGQLJFWTWNCX-WDEREUQCSA-N 1 0 239.319 0.183 20 30 BCEDRO C[N@H+](CCOCCO)Cc1ccc(C#N)cc1 ZINC000074348913 368840348 /nfs/dbraw/zinc/84/03/48/368840348.db2.gz MBHGCCCSWMRKRJ-UHFFFAOYSA-N 1 0 234.299 0.999 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000072829308 368781355 /nfs/dbraw/zinc/78/13/55/368781355.db2.gz FLTZTAFAZRQBEP-LBPRGKRZSA-N 1 0 221.304 0.892 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)nn1 ZINC000623661413 369067629 /nfs/dbraw/zinc/06/76/29/369067629.db2.gz RIPAEOUVJFXEIF-MGCOHNPYSA-N 1 0 249.318 0.208 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1cc(C)c(C#N)cn1 ZINC000457582622 203076481 /nfs/dbraw/zinc/07/64/81/203076481.db2.gz PUJYXFVDHZGBET-UHFFFAOYSA-N 1 0 246.314 0.943 20 30 BCEDRO CC[C@H](C(=O)N1CCO[C@H](C#N)C1)[NH+](C)C ZINC000164431636 203081973 /nfs/dbraw/zinc/08/19/73/203081973.db2.gz AGDXUHKKOGDTQS-NXEZZACHSA-N 1 0 225.292 0.078 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000618523356 369166401 /nfs/dbraw/zinc/16/64/01/369166401.db2.gz FJMLOBYANOAGFI-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCNC(=O)CC1 ZINC000618887462 369234299 /nfs/dbraw/zinc/23/42/99/369234299.db2.gz ZQUIPYKROBDXLY-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C=C(C)CCNC(=O)NCCOCC[NH+](C)C ZINC000458679948 203187549 /nfs/dbraw/zinc/18/75/49/203187549.db2.gz AQYARXDVXMEDCH-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H](C)[NH+](C)C ZINC000459066148 203228622 /nfs/dbraw/zinc/22/86/22/203228622.db2.gz UWOVMPWBNFTQDE-QWRGUYRKSA-N 1 0 243.351 0.563 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000459008629 203222672 /nfs/dbraw/zinc/22/26/72/203222672.db2.gz UJIRTQWMJIPJBI-LBPRGKRZSA-N 1 0 243.351 0.564 20 30 BCEDRO C=CC[NH+](CC=C)CCN1C(=O)N[C@@H](C)C1=O ZINC000459312331 203254601 /nfs/dbraw/zinc/25/46/01/203254601.db2.gz YUZSYXXXURZDFL-JTQLQIEISA-N 1 0 237.303 0.601 20 30 BCEDRO C[NH+](C)CCNC(=O)NCC(C)(C)CC#N ZINC000459258641 203243238 /nfs/dbraw/zinc/24/32/38/203243238.db2.gz MABUPSRWUVLNNV-UHFFFAOYSA-N 1 0 226.324 0.787 20 30 BCEDRO N#C[C@H]1CCC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000459478805 203286629 /nfs/dbraw/zinc/28/66/29/203286629.db2.gz NKJBUYYVDACGML-OLZOCXBDSA-N 1 0 237.347 0.991 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[NH+](CCCF)CC1 ZINC000402596917 369388100 /nfs/dbraw/zinc/38/81/00/369388100.db2.gz MISGTGRLMYHTLP-NSHDSACASA-N 1 0 244.310 0.691 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1ncncc1C#N ZINC000302549514 369393991 /nfs/dbraw/zinc/39/39/91/369393991.db2.gz UKZQFKALRFXVHF-LLVKDONJSA-N 1 0 235.291 0.073 20 30 BCEDRO COC[C@@H](O)CN1Cc2cccc(C#N)c2C1 ZINC000405068110 369443134 /nfs/dbraw/zinc/44/31/34/369443134.db2.gz ZHHIYAHJWQKSIR-LBPRGKRZSA-N 1 0 232.283 0.881 20 30 BCEDRO CC[C@H](C#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000259966860 370959841 /nfs/dbraw/zinc/95/98/41/370959841.db2.gz LVXBENXJZVBXOZ-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO N#Cc1cnccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405260980 369449793 /nfs/dbraw/zinc/44/97/93/369449793.db2.gz JAQXDVMUPGNGAL-NWDGAFQWSA-N 1 0 244.298 0.208 20 30 BCEDRO N#Cc1ccc(C[NH2+]C2(CO)CCOCC2)o1 ZINC000230661960 369453496 /nfs/dbraw/zinc/45/34/96/369453496.db2.gz LBUAJZYWENSPMJ-UHFFFAOYSA-N 1 0 236.271 0.782 20 30 BCEDRO N#Cc1ncccc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405418530 369459914 /nfs/dbraw/zinc/45/99/14/369459914.db2.gz WXIMIUITTPEFGI-WDEREUQCSA-N 1 0 244.298 0.208 20 30 BCEDRO N#CC1(CNC(=O)N[C@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000619529211 369462272 /nfs/dbraw/zinc/46/22/72/369462272.db2.gz WFOMEFCINOPDSJ-JTQLQIEISA-N 1 0 248.330 0.826 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000619718772 369548687 /nfs/dbraw/zinc/54/86/87/369548687.db2.gz WMDRTJLQMRSBRS-NWDGAFQWSA-N 1 0 240.347 0.988 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)C[C@H]1CCC[C@H]1O ZINC000619719897 369550431 /nfs/dbraw/zinc/55/04/31/369550431.db2.gz LMUDJKNNNHUQKH-GMTAPVOTSA-N 1 0 227.304 0.807 20 30 BCEDRO C[C@H]1C[NH2+]CCN1Cc1ccc(C#N)o1 ZINC000600769167 369564707 /nfs/dbraw/zinc/56/47/07/369564707.db2.gz PIYRSMRUYOOBBV-VIFPVBQESA-N 1 0 205.261 0.945 20 30 BCEDRO C[NH2+]CCOCCN(C)Cc1ccc(C#N)o1 ZINC000600778496 369565871 /nfs/dbraw/zinc/56/58/71/369565871.db2.gz ZZTKZWXKALDUTK-UHFFFAOYSA-N 1 0 237.303 0.819 20 30 BCEDRO C[NH2+]C1(CNC(=O)c2ccc(C#N)nc2)CCC1 ZINC000600826034 369568285 /nfs/dbraw/zinc/56/82/85/369568285.db2.gz WYBVLXSYNSEDLM-UHFFFAOYSA-N 1 0 244.298 0.825 20 30 BCEDRO C[NH2+]C1(CNC(=O)c2ccc(C#N)n2C)CCC1 ZINC000600824909 369568460 /nfs/dbraw/zinc/56/84/60/369568460.db2.gz DGPKWJBPRZWZDL-UHFFFAOYSA-N 1 0 246.314 0.769 20 30 BCEDRO N#Cc1cncc(N2CCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000600885334 369571910 /nfs/dbraw/zinc/57/19/10/369571910.db2.gz QXZZXSHCZMSQOO-CMPLNLGQSA-N 1 0 243.314 0.927 20 30 BCEDRO N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1 ZINC000600888503 369571945 /nfs/dbraw/zinc/57/19/45/369571945.db2.gz YBEFMTWCEZLJKK-PHIMTYICSA-N 1 0 214.272 0.894 20 30 BCEDRO Cc1nsc(N2C[C@@H]3C[C@H]2C[NH2+]3)c1C#N ZINC000600884364 369572091 /nfs/dbraw/zinc/57/20/91/369572091.db2.gz FGGGWBHAKAWOOZ-YUMQZZPRSA-N 1 0 220.301 0.874 20 30 BCEDRO Cc1ccc(Cn2nnnc2C[NH3+])cc1C#N ZINC000600966646 369581737 /nfs/dbraw/zinc/58/17/37/369581737.db2.gz RTSDIZZQCCBBND-UHFFFAOYSA-N 1 0 228.259 0.360 20 30 BCEDRO N#Cc1cncnc1N1CC([NH+]2CCCC2)C1 ZINC000601193307 369603423 /nfs/dbraw/zinc/60/34/23/369603423.db2.gz FJCLPAOHRXSNOW-UHFFFAOYSA-N 1 0 229.287 0.633 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000619872682 369624063 /nfs/dbraw/zinc/62/40/63/369624063.db2.gz GPEMPNUYRXDTMV-UHFFFAOYSA-N 1 0 232.287 0.709 20 30 BCEDRO CN(CC(C)(C)[NH3+])C(=O)Cc1ccc(C#N)nc1 ZINC000602517970 369802221 /nfs/dbraw/zinc/80/22/21/369802221.db2.gz INHADFVSAFQQLS-UHFFFAOYSA-N 1 0 246.314 0.691 20 30 BCEDRO COC[C@@H](O)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602582305 369818475 /nfs/dbraw/zinc/81/84/75/369818475.db2.gz VUFOGCIIOSDXJI-LBPRGKRZSA-N 1 0 235.287 0.440 20 30 BCEDRO C[C@@H](CNCc1cccc(C#N)n1)[NH+](C)C ZINC000602595111 369824739 /nfs/dbraw/zinc/82/47/39/369824739.db2.gz WPESEUGWHWZCQG-JTQLQIEISA-N 1 0 218.304 0.993 20 30 BCEDRO N#Cc1cccc(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000602605055 369826184 /nfs/dbraw/zinc/82/61/84/369826184.db2.gz SIWLNWAUPGDNCQ-GDNZZTSVSA-N 1 0 227.267 0.962 20 30 BCEDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602629700 369830077 /nfs/dbraw/zinc/83/00/77/369830077.db2.gz ISNRGNYCNOXHIO-CABZTGNLSA-N 1 0 217.272 0.908 20 30 BCEDRO CO[C@](C)(C[NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC000602655592 369835335 /nfs/dbraw/zinc/83/53/35/369835335.db2.gz PXVPUSYZWUWXLR-GFCCVEGCSA-N 1 0 249.318 0.554 20 30 BCEDRO C[N@H+](CCCO)Cc1cccc(C#N)n1 ZINC000602650695 369835675 /nfs/dbraw/zinc/83/56/75/369835675.db2.gz GLNJRFUUFBJAEH-UHFFFAOYSA-N 1 0 205.261 0.767 20 30 BCEDRO CC(C)(C[NH3+])NC(=O)Cc1ccc(C#N)nc1 ZINC000602428473 369786479 /nfs/dbraw/zinc/78/64/79/369786479.db2.gz OFDHZBWSBMFTQT-UHFFFAOYSA-N 1 0 232.287 0.349 20 30 BCEDRO N#Cc1ccc(CC(=O)N2CC[C@H]([NH3+])C2)cn1 ZINC000602435338 369788055 /nfs/dbraw/zinc/78/80/55/369788055.db2.gz YEYRIQYKKFLWPY-JTQLQIEISA-N 1 0 230.271 0.055 20 30 BCEDRO CCNC(=O)CN(C)Cc1cccc(C#N)n1 ZINC000602450556 369789810 /nfs/dbraw/zinc/78/98/10/369789810.db2.gz AQOTYFJAMFFNJC-UHFFFAOYSA-N 1 0 232.287 0.521 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)Cc1ccc(C#N)nc1 ZINC000602483448 369794714 /nfs/dbraw/zinc/79/47/14/369794714.db2.gz QYQXWJFTWVXFPI-VIFPVBQESA-N 1 0 232.287 0.207 20 30 BCEDRO CCC[NH2+]CCNC(=O)Cc1ccc(C#N)nc1 ZINC000602482153 369794929 /nfs/dbraw/zinc/79/49/29/369794929.db2.gz GOSLLIAOIGSCLF-UHFFFAOYSA-N 1 0 246.314 0.612 20 30 BCEDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000602896673 369861080 /nfs/dbraw/zinc/86/10/80/369861080.db2.gz GFCGABANEQUSDC-ZIAGYGMSSA-N 1 0 246.310 0.876 20 30 BCEDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000602896668 369861310 /nfs/dbraw/zinc/86/13/10/369861310.db2.gz GFCGABANEQUSDC-KBPBESRZSA-N 1 0 246.310 0.876 20 30 BCEDRO C[NH+](C)[C@H]1C[C@H](Nc2ncncc2C#N)C1(C)C ZINC000603399944 369949202 /nfs/dbraw/zinc/94/92/02/369949202.db2.gz FRKCSDUAVGYWKO-QWRGUYRKSA-N 1 0 245.330 0.911 20 30 BCEDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)C1(C)C ZINC000603407301 369955227 /nfs/dbraw/zinc/95/52/27/369955227.db2.gz QMEPFGHAXPFMOA-NXEZZACHSA-N 1 0 245.330 0.911 20 30 BCEDRO N#Cc1cnccc1NC[C@H]1CSCC[NH2+]1 ZINC000603420341 369959976 /nfs/dbraw/zinc/95/99/76/369959976.db2.gz SDJRKDIQACHSIJ-JTQLQIEISA-N 1 0 234.328 0.492 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000620591343 369944083 /nfs/dbraw/zinc/94/40/83/369944083.db2.gz ZLMKGSADEFPBDS-RKDXNWHRSA-N 1 0 235.287 0.178 20 30 BCEDRO CCNC(=O)C[N@H+](C)CCCSCC#N ZINC000074981977 370065798 /nfs/dbraw/zinc/06/57/98/370065798.db2.gz MHYIJTQRZGOVEQ-UHFFFAOYSA-N 1 0 229.349 0.701 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000252602268 370073788 /nfs/dbraw/zinc/07/37/88/370073788.db2.gz MZONQZQEZNREGF-KXUCPTDWSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)COC1CC[NH2+]CC1 ZINC000111758650 370174342 /nfs/dbraw/zinc/17/43/42/370174342.db2.gz MBCUSIDKRVZLJL-SNVBAGLBSA-N 1 0 239.319 0.516 20 30 BCEDRO CCOC[C@H](O)C[NH2+][C@@H](CC)CC#N ZINC000308687912 370149474 /nfs/dbraw/zinc/14/94/74/370149474.db2.gz QJLSMHRWTVOPKH-VHSXEESVSA-N 1 0 200.282 0.666 20 30 BCEDRO C[NH+](C)CCOCCNc1cc(C#N)ncn1 ZINC000310071919 370294687 /nfs/dbraw/zinc/29/46/87/370294687.db2.gz DMGJBXMOSPMAPS-UHFFFAOYSA-N 1 0 235.291 0.338 20 30 BCEDRO C[NH+](C)CCOCCNc1ncncc1C#N ZINC000310152036 370307977 /nfs/dbraw/zinc/30/79/77/370307977.db2.gz NGPJSAQRMDVKIR-UHFFFAOYSA-N 1 0 235.291 0.338 20 30 BCEDRO CN(C[C@H]1CCC[N@@H+]1C)c1ccnc(C#N)n1 ZINC000310560765 370352571 /nfs/dbraw/zinc/35/25/71/370352571.db2.gz VOKMUFYDYKNKNN-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ccnc(C#N)n1 ZINC000310560763 370352893 /nfs/dbraw/zinc/35/28/93/370352893.db2.gz VOKMUFYDYKNKNN-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCNC(=O)CN1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621778921 370527417 /nfs/dbraw/zinc/52/74/17/370527417.db2.gz XGNACUQEZHHUMI-PWSUYJOCSA-N 1 0 223.320 0.102 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621779577 370528772 /nfs/dbraw/zinc/52/87/72/370528772.db2.gz GUOXPXUMTAFMBG-DMDPSCGWSA-N 1 0 237.347 0.490 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784137 370536004 /nfs/dbraw/zinc/53/60/04/370536004.db2.gz KKMYEOCYDNLIRU-SGMGOOAPSA-N 1 0 249.358 0.587 20 30 BCEDRO N#CCC[NH2+]CC1(N2CCOCC2)CC1 ZINC000568502585 326360277 /nfs/dbraw/zinc/36/02/77/326360277.db2.gz VDXLIXINHCCVPG-UHFFFAOYSA-N 1 0 209.293 0.354 20 30 BCEDRO C[C@@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC000066496945 370585281 /nfs/dbraw/zinc/58/52/81/370585281.db2.gz ZYJKPRNNQWDJKD-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@@H](C(=O)N(C)C1(C#N)CCC1)[NH+](C)C ZINC000078694566 370591045 /nfs/dbraw/zinc/59/10/45/370591045.db2.gz IEZAMORBVFEWCV-VIFPVBQESA-N 1 0 209.293 0.841 20 30 BCEDRO C=CCCn1cc(C[NH2+]CC2COC2)nn1 ZINC000623761766 371084512 /nfs/dbraw/zinc/08/45/12/371084512.db2.gz UXYVGHMTZVUCJK-UHFFFAOYSA-N 1 0 222.292 0.590 20 30 BCEDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cnc(C#N)cn1 ZINC000092631046 371107015 /nfs/dbraw/zinc/10/70/15/371107015.db2.gz GIRMYJHAAWXHIY-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)S(C)(=O)=O ZINC000389908994 371180543 /nfs/dbraw/zinc/18/05/43/371180543.db2.gz IEQGGTMOCYSGCH-BBBLOLIVSA-N 1 0 230.333 0.701 20 30 BCEDRO C[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)S(C)(=O)=O ZINC000389909009 371180947 /nfs/dbraw/zinc/18/09/47/371180947.db2.gz IEQGGTMOCYSGCH-UTLUCORTSA-N 1 0 230.333 0.701 20 30 BCEDRO C=CCCCN(C)c1nc(N)[nH+]c(N)n1 ZINC000623982902 371215579 /nfs/dbraw/zinc/21/55/79/371215579.db2.gz LHTAUEKTWLAVRW-UHFFFAOYSA-N 1 0 208.269 0.099 20 30 BCEDRO C=CCC[NH2+]C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000161933619 371585939 /nfs/dbraw/zinc/58/59/39/371585939.db2.gz SLKZRFDSELOKNS-JTQLQIEISA-N 1 0 240.263 0.318 20 30 BCEDRO CC#CCN(C)C(=O)Cn1cncc1C ZINC000627553023 371701735 /nfs/dbraw/zinc/70/17/35/371701735.db2.gz INOLHXMWWASVQI-UHFFFAOYSA-N 1 0 205.261 0.673 20 30 BCEDRO CN1CCOC[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602728159 371833905 /nfs/dbraw/zinc/83/39/05/371833905.db2.gz YTSOYWPNJFOWNF-CYBMUJFWSA-N 1 0 246.314 0.373 20 30 BCEDRO CC(C)[C@@H](C(=O)N1CCO[C@H](C#N)C1)[NH+](C)C ZINC000133392475 372035443 /nfs/dbraw/zinc/03/54/43/372035443.db2.gz MVWAPMKOMGIMSS-MNOVXSKESA-N 1 0 239.319 0.324 20 30 BCEDRO COC[C@@H](CO)[NH2+]CC(C)(C)CCC#N ZINC000229058722 372112475 /nfs/dbraw/zinc/11/24/75/372112475.db2.gz WKXBHWFDXKMLRT-SNVBAGLBSA-N 1 0 214.309 0.913 20 30 BCEDRO C=CCN1CC[C@H](N[C@]23CCC[C@@H]2C[NH2+]C3)C1=O ZINC000631867647 372669364 /nfs/dbraw/zinc/66/93/64/372669364.db2.gz YHVILVZYNFEURB-DYEKYZERSA-N 1 0 249.358 0.505 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000632369516 372902289 /nfs/dbraw/zinc/90/22/89/372902289.db2.gz PBVONWWPQOFPAA-WDEREUQCSA-N 1 0 246.376 0.917 20 30 BCEDRO C=C1CC(C)(C(=O)NCC[N@H+](CC)CCO)C1 ZINC000632513205 372982117 /nfs/dbraw/zinc/98/21/17/372982117.db2.gz RPXIWQBTRBDTSD-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000632861524 373197391 /nfs/dbraw/zinc/19/73/91/373197391.db2.gz SJVLZSMKQWKKQP-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)CCNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000633018944 373252914 /nfs/dbraw/zinc/25/29/14/373252914.db2.gz XTJYNRLJFFDUKQ-MNOVXSKESA-N 1 0 241.335 0.710 20 30 BCEDRO C=C1CC(C)(C(=O)N[C@H](CO)C[NH+](C)C)C1 ZINC000633074041 373285088 /nfs/dbraw/zinc/28/50/88/373285088.db2.gz ZWXRBMSMOHYXBM-JTQLQIEISA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(CC)CNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000633716345 373702285 /nfs/dbraw/zinc/70/22/85/373702285.db2.gz WYFDSMLJNIMYAD-GHMZBOCLSA-N 1 0 241.335 0.710 20 30 BCEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCS(=O)(=O)NC ZINC000187178173 205740254 /nfs/dbraw/zinc/74/02/54/205740254.db2.gz YVENZGRDNQNBAU-UWVGGRQHSA-N 1 0 234.365 0.726 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417887836 205936287 /nfs/dbraw/zinc/93/62/87/205936287.db2.gz LSHQFCRUBCIPEI-LLVKDONJSA-N 1 0 241.335 0.630 20 30 BCEDRO N#CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000042323498 374262484 /nfs/dbraw/zinc/26/24/84/374262484.db2.gz JAFDWYDAEMTNSJ-UWVGGRQHSA-N 1 0 207.277 0.643 20 30 BCEDRO CCN(CC(=O)OC)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424193609 206034639 /nfs/dbraw/zinc/03/46/39/206034639.db2.gz QXYYLZKHBRCHAE-VIFPVBQESA-N 1 0 241.291 0.029 20 30 BCEDRO C=CCn1cc(CN[C@@H](C)C[C@H](C)[NH3+])nn1 ZINC000424378667 206038010 /nfs/dbraw/zinc/03/80/10/206038010.db2.gz OANBWGLJILULJV-UWVGGRQHSA-N 1 0 223.324 0.680 20 30 BCEDRO Cc1cc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)ccc1C#N ZINC000459698276 206136994 /nfs/dbraw/zinc/13/69/94/206136994.db2.gz ITSICUUYCWNHLS-KGLIPLIRSA-N 1 0 246.310 0.652 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000179057312 134314745 /nfs/dbraw/zinc/31/47/45/134314745.db2.gz VPRAPFIFCQRRHW-HLTSFMKQSA-N 1 0 209.293 0.478 20 30 BCEDRO CCC[N@H+](C)CC(=O)Nc1n[nH]c(C)c1C#N ZINC000357264866 169075406 /nfs/dbraw/zinc/07/54/06/169075406.db2.gz WIBYIQJERNDOGM-UHFFFAOYSA-N 1 0 235.291 0.870 20 30 BCEDRO CC/[NH+]=C(\N(C)C)N1CCO[C@@H](COC)C1 ZINC000179275249 134319209 /nfs/dbraw/zinc/31/92/09/134319209.db2.gz JXICVKDIYWHAIS-PJSNMCHCSA-N 1 0 229.324 0.271 20 30 BCEDRO C=C(C)C[N@@H+](C)[C@@H](C)C(=O)NCC(=O)OC ZINC000181261123 134334336 /nfs/dbraw/zinc/33/43/36/134334336.db2.gz GMGGUJLUQKXHJI-VIFPVBQESA-N 1 0 228.292 0.172 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000184278123 134361616 /nfs/dbraw/zinc/36/16/16/134361616.db2.gz PELDNORFMDGFHD-VIFPVBQESA-N 1 0 240.328 0.874 20 30 BCEDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424460548 532972882 /nfs/dbraw/zinc/97/28/82/532972882.db2.gz BHEJRAWOXHTQCC-DOLQZWNJSA-N 1 0 224.308 0.714 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000566193412 383824932 /nfs/dbraw/zinc/82/49/32/383824932.db2.gz WRJUUEBVTSUDQF-OPRDCNLKSA-N 1 0 229.324 0.348 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CC(N)=O ZINC000308654649 383879895 /nfs/dbraw/zinc/87/98/95/383879895.db2.gz NHBQBCXJHBXKSW-BDAKNGLRSA-N 1 0 200.282 0.025 20 30 BCEDRO C=C(C)C[N@@H+](CC)CC(=O)NC(=O)NC1CC1 ZINC000078282510 383905050 /nfs/dbraw/zinc/90/50/50/383905050.db2.gz IUXNANVRBBXBTI-UHFFFAOYSA-N 1 0 239.319 0.873 20 30 BCEDRO C[N@H+](CCNC(=O)CC#N)C1CCCC1 ZINC000070946461 383971488 /nfs/dbraw/zinc/97/14/88/383971488.db2.gz DGKDRVWSGIOOBB-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CC1 ZINC000298630373 383971612 /nfs/dbraw/zinc/97/16/12/383971612.db2.gz QLDUWPAGTOMWFT-NSHDSACASA-N 1 0 208.305 0.951 20 30 BCEDRO CC(C)C1CC[NH+](CC(=O)NCC#N)CC1 ZINC000075833770 384041777 /nfs/dbraw/zinc/04/17/77/384041777.db2.gz YXGHRWRWAUGSGO-UHFFFAOYSA-N 1 0 223.320 0.994 20 30 BCEDRO CCOc1ccc(CNC(N)=[NH2+])cc1OC ZINC000057887789 134390570 /nfs/dbraw/zinc/39/05/70/134390570.db2.gz DEUKDGKOXISCLW-UHFFFAOYSA-N 1 0 223.276 0.867 20 30 BCEDRO C#CCCCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367037002 533032195 /nfs/dbraw/zinc/03/21/95/533032195.db2.gz JGKDBBLRJJOVTJ-CYBMUJFWSA-N 1 0 249.358 0.296 20 30 BCEDRO C#CCCC[N@H+]1CCOC[C@@H]1CC(=O)OC ZINC000367806771 533036495 /nfs/dbraw/zinc/03/64/95/533036495.db2.gz QKYQXWNSNUAZFN-NSHDSACASA-N 1 0 225.288 0.664 20 30 BCEDRO CN(CC[N@H+](C)C1CC1)c1nccnc1C#N ZINC000274484790 384140611 /nfs/dbraw/zinc/14/06/11/384140611.db2.gz OQXNTMGAVVGQHV-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000357309355 384170542 /nfs/dbraw/zinc/17/05/42/384170542.db2.gz TYRMDTXNWUVLKA-YPMHNXCESA-N 1 0 240.347 0.866 20 30 BCEDRO C#CCCNC(=[NH+]C)N1CC[C@]2(CCOC2)C1 ZINC000261931621 533043896 /nfs/dbraw/zinc/04/38/96/533043896.db2.gz BLDSRGLBUSRPHI-ZDUSSCGKSA-N 1 0 235.331 0.698 20 30 BCEDRO COc1cc(C[NH2+]C[C@H](O)CO)ccc1C#N ZINC000234848649 384186437 /nfs/dbraw/zinc/18/64/37/384186437.db2.gz VMDBFVROAQOFOC-NSHDSACASA-N 1 0 236.271 0.010 20 30 BCEDRO C=CCCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000081903671 384214673 /nfs/dbraw/zinc/21/46/73/384214673.db2.gz GZTCKHOWYLEEQG-VIFPVBQESA-N 1 0 205.323 0.975 20 30 BCEDRO C[C@@H](CS(C)(=O)=O)[NH2+]CCCC#N ZINC000081903691 384214903 /nfs/dbraw/zinc/21/49/03/384214903.db2.gz GYHXGRGBNXVONT-QMMMGPOBSA-N 1 0 204.295 0.313 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000069629745 384247733 /nfs/dbraw/zinc/24/77/33/384247733.db2.gz GMCFPYZLDQPEHT-AXFHLTTASA-N 1 0 225.336 0.359 20 30 BCEDRO C#CCC[N@@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000373247534 533054850 /nfs/dbraw/zinc/05/48/50/533054850.db2.gz RGYBKYUGOXFAOJ-JTQLQIEISA-N 1 0 207.277 0.061 20 30 BCEDRO C[C@@H]1C[N@H+](CCCCC#N)CCN1CCO ZINC000187706892 384300723 /nfs/dbraw/zinc/30/07/23/384300723.db2.gz GURNCWHKDZJCHZ-GFCCVEGCSA-N 1 0 225.336 0.679 20 30 BCEDRO C#CCC[N@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000373793976 533056805 /nfs/dbraw/zinc/05/68/05/533056805.db2.gz YRDVNHKTYFOULL-NWDGAFQWSA-N 1 0 209.289 0.890 20 30 BCEDRO C=C(CC)C[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000313496828 384427039 /nfs/dbraw/zinc/42/70/39/384427039.db2.gz CCTXFLOIVITYNZ-UHFFFAOYSA-N 1 0 237.303 0.140 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000334192762 384381730 /nfs/dbraw/zinc/38/17/30/384381730.db2.gz JPNYMGVUBZZTBA-GXSJLCMTSA-N 1 0 221.304 0.699 20 30 BCEDRO C[C@H](C#N)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000335607817 384386847 /nfs/dbraw/zinc/38/68/47/384386847.db2.gz HXZGOHKWOBXLHK-RKDXNWHRSA-N 1 0 209.293 0.793 20 30 BCEDRO C#CCC[N@@H+]1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000373795375 533058963 /nfs/dbraw/zinc/05/89/63/533058963.db2.gz DKMOXTMBGHMOTM-WCQYABFASA-N 1 0 237.299 0.521 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000237969299 384450454 /nfs/dbraw/zinc/45/04/54/384450454.db2.gz XBBSWYKVLGXJIT-NSHDSACASA-N 1 0 226.320 0.823 20 30 BCEDRO C[C@H](CNC(=O)[C@@H](C)C#N)[NH+]1CCCC1 ZINC000084796674 384430079 /nfs/dbraw/zinc/43/00/79/384430079.db2.gz XYUUAKMQZKYCIS-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000084796675 384430166 /nfs/dbraw/zinc/43/01/66/384430166.db2.gz XYUUAKMQZKYCIS-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CCCC[C@H]2[NH3+])nn1 ZINC000648180276 384461805 /nfs/dbraw/zinc/46/18/05/384461805.db2.gz OQBNGYQIIGHSRT-NXEZZACHSA-N 1 0 249.318 0.464 20 30 BCEDRO COc1ccccc1[C@H](C)[NH2+]CC(=O)NCC#N ZINC000149245828 384474604 /nfs/dbraw/zinc/47/46/04/384474604.db2.gz RQJYXPULVIIEBL-JTQLQIEISA-N 1 0 247.298 0.986 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000517778277 384506426 /nfs/dbraw/zinc/50/64/26/384506426.db2.gz TURHNHNXWVNQEQ-GHMZBOCLSA-N 1 0 244.360 0.308 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000249510004 384506360 /nfs/dbraw/zinc/50/63/60/384506360.db2.gz ZPQZMIWPGGZNMK-WOPDTQHZSA-N 1 0 229.320 0.395 20 30 BCEDRO C#CCC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000308952002 533068551 /nfs/dbraw/zinc/06/85/51/533068551.db2.gz VMPCIUVXXGGRLU-JQWIXIFHSA-N 1 0 206.289 0.657 20 30 BCEDRO C[NH+](C)CCNC(=O)c1cscc1C#N ZINC000432048393 384487111 /nfs/dbraw/zinc/48/71/11/384487111.db2.gz RXNNILKZIPGSLU-UHFFFAOYSA-N 1 0 223.301 0.911 20 30 BCEDRO Cn1ccc(C[NH2+]CCn2cnc(C#N)n2)c1 ZINC000285447734 384487190 /nfs/dbraw/zinc/48/71/90/384487190.db2.gz IUVLYXRYZDMZNO-UHFFFAOYSA-N 1 0 230.275 0.278 20 30 BCEDRO COCCNC(=[NH2+])NCc1cccnc1OC ZINC000161492619 384494507 /nfs/dbraw/zinc/49/45/07/384494507.db2.gz LXDHCJQQNHDDCA-UHFFFAOYSA-N 1 0 238.291 0.141 20 30 BCEDRO CCCNC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249946947 384530713 /nfs/dbraw/zinc/53/07/13/384530713.db2.gz UPEPAIKFYFXFLB-IVZWLZJFSA-N 1 0 211.309 0.868 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)C2CCC2)CC1 ZINC000040221818 384542396 /nfs/dbraw/zinc/54/23/96/384542396.db2.gz LCSMMXRPEKAWRK-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@H](CNc1cnc(C#N)cn1)[NH+](C)C ZINC000082713778 384552911 /nfs/dbraw/zinc/55/29/11/384552911.db2.gz YGOGQNLEAKQTTD-QMMMGPOBSA-N 1 0 205.265 0.710 20 30 BCEDRO C=C(Cl)CNC(=O)C1(COC)CC[NH2+]CC1 ZINC000234604129 384576686 /nfs/dbraw/zinc/57/66/86/384576686.db2.gz MEZNZJIRGXVELI-UHFFFAOYSA-N 1 0 246.738 0.871 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000070558770 384581720 /nfs/dbraw/zinc/58/17/20/384581720.db2.gz CLCDHVLXQBFVNJ-GFCCVEGCSA-N 1 0 220.272 0.655 20 30 BCEDRO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH+](C)C ZINC000355703100 384610426 /nfs/dbraw/zinc/61/04/26/384610426.db2.gz BGZLDRARKPQZMO-SECBINFHSA-N 1 0 234.303 0.814 20 30 BCEDRO C=CC[C@@H](CO)CNCc1csnn1 ZINC000336655353 384651903 /nfs/dbraw/zinc/65/19/03/384651903.db2.gz NOTORDLQYKJDGB-MRVPVSSYSA-N 1 0 213.306 0.812 20 30 BCEDRO N#CCCC[N@H+]1CCSC[C@@H]1CO ZINC000308394831 384660783 /nfs/dbraw/zinc/66/07/83/384660783.db2.gz CTLISABVBUBFEC-VIFPVBQESA-N 1 0 200.307 0.700 20 30 BCEDRO N#Cc1cc(N2CC[NH+]3CCC2CC3)ncn1 ZINC000565518111 384660848 /nfs/dbraw/zinc/66/08/48/384660848.db2.gz BUMUWAYJLFFJQZ-UHFFFAOYSA-N 1 0 229.287 0.633 20 30 BCEDRO C=CC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000171953322 384681170 /nfs/dbraw/zinc/68/11/70/384681170.db2.gz CRWFDIQHINAONH-UHFFFAOYSA-N 1 0 232.349 0.563 20 30 BCEDRO C[N@H+](CCCCC#N)CC(=O)NC1CC1 ZINC000049900124 384688019 /nfs/dbraw/zinc/68/80/19/384688019.db2.gz QLKOCJHSMPKDDI-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000518117960 384693583 /nfs/dbraw/zinc/69/35/83/384693583.db2.gz YKKRHYNQVSKCNS-LLVKDONJSA-N 1 0 238.331 0.668 20 30 BCEDRO C#CCNC(=O)[C@](C)([NH3+])c1ccccc1 ZINC000052881291 384715517 /nfs/dbraw/zinc/71/55/17/384715517.db2.gz GMDBOXASGXLRBF-GFCCVEGCSA-N 1 0 202.257 0.610 20 30 BCEDRO C=CCn1cc(C(=O)N(C)CCC[NH2+]C)nn1 ZINC000648178030 384761650 /nfs/dbraw/zinc/76/16/50/384761650.db2.gz KYJPHDZYSLFKMZ-UHFFFAOYSA-N 1 0 237.307 0.146 20 30 BCEDRO C[NH+](C)CCNC(=O)c1ccc(C#N)c(O)c1 ZINC000188212119 384837485 /nfs/dbraw/zinc/83/74/85/384837485.db2.gz LZLHTVARANEWLX-UHFFFAOYSA-N 1 0 233.271 0.555 20 30 BCEDRO C[NH+]=C(NCc1nncn1C)N[C@H](C)C(C)C ZINC000103909030 384788108 /nfs/dbraw/zinc/78/81/08/384788108.db2.gz DAQYTCQHBHAMSS-SECBINFHSA-N 1 0 238.339 0.525 20 30 BCEDRO C[NH+]=C(NCc1nncn1C)N[C@@H](C)C(C)C ZINC000103909034 384788462 /nfs/dbraw/zinc/78/84/62/384788462.db2.gz DAQYTCQHBHAMSS-VIFPVBQESA-N 1 0 238.339 0.525 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644298926 384809856 /nfs/dbraw/zinc/80/98/56/384809856.db2.gz IBOMUXZOTMLFDY-GHMZBOCLSA-N 1 0 244.360 0.528 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1CCO ZINC000491117907 384880239 /nfs/dbraw/zinc/88/02/39/384880239.db2.gz AOAIJLZGDONRQN-GFCCVEGCSA-N 1 0 238.331 0.363 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000175244989 384881716 /nfs/dbraw/zinc/88/17/16/384881716.db2.gz LDINPFOLVOKYCI-JTQLQIEISA-N 1 0 209.293 0.878 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H]1CCCNC(=O)C1 ZINC000320278335 384886939 /nfs/dbraw/zinc/88/69/39/384886939.db2.gz NSLQBTVZNJGTDZ-VHSXEESVSA-N 1 0 212.293 0.182 20 30 BCEDRO C#CCOCCNc1cc[nH+]cc1C(N)=O ZINC000302137703 384956372 /nfs/dbraw/zinc/95/63/72/384956372.db2.gz FLSYJOUDZGTPRY-UHFFFAOYSA-N 1 0 219.244 0.242 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1snnc1C ZINC000320292401 384917893 /nfs/dbraw/zinc/91/78/93/384917893.db2.gz QTVHUPDNEXCECF-QMMMGPOBSA-N 1 0 213.306 0.873 20 30 BCEDRO CC#CCC[N@H+]1CCCN(CC(=O)OC)CC1 ZINC000156740291 384945677 /nfs/dbraw/zinc/94/56/77/384945677.db2.gz XKDDRSCDBXOBGN-UHFFFAOYSA-N 1 0 238.331 0.581 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CCOCC ZINC000294068318 533099790 /nfs/dbraw/zinc/09/97/90/533099790.db2.gz VOSGQSDBVGQGCM-UHFFFAOYSA-N 1 0 226.320 0.484 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CCn1ccnc1 ZINC000294032280 533100026 /nfs/dbraw/zinc/10/00/26/533100026.db2.gz RPTXUVJRUWTZEB-UHFFFAOYSA-N 1 0 248.330 0.345 20 30 BCEDRO C=CCOCC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000339140876 384969375 /nfs/dbraw/zinc/96/93/75/384969375.db2.gz ONYJCNBNAIYYDW-MNOVXSKESA-N 1 0 215.293 0.319 20 30 BCEDRO C=CCOCC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000339140877 384970831 /nfs/dbraw/zinc/97/08/31/384970831.db2.gz ONYJCNBNAIYYDW-QWRGUYRKSA-N 1 0 215.293 0.319 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1COCC1(C)C ZINC000312977026 384983309 /nfs/dbraw/zinc/98/33/09/384983309.db2.gz MUVSLVNGQHVZHT-SECBINFHSA-N 1 0 212.293 0.303 20 30 BCEDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccnc(C#N)c1 ZINC000450959965 384986299 /nfs/dbraw/zinc/98/62/99/384986299.db2.gz ZIIKPCZMCXWVCH-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CCCOC ZINC000293851187 533098800 /nfs/dbraw/zinc/09/88/00/533098800.db2.gz AOANQMYXYQIBPD-UHFFFAOYSA-N 1 0 226.320 0.484 20 30 BCEDRO CC#CCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC000644617992 385006382 /nfs/dbraw/zinc/00/63/82/385006382.db2.gz LOZAYPUADJXNHQ-LBPRGKRZSA-N 1 0 241.331 0.546 20 30 BCEDRO C=CCCOCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000644609205 385010865 /nfs/dbraw/zinc/01/08/65/385010865.db2.gz YNDRYXMNIKMSKB-JTQLQIEISA-N 1 0 235.349 0.602 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[NH2+]C2(C)C)nn1 ZINC000648148674 385012276 /nfs/dbraw/zinc/01/22/76/385012276.db2.gz WAXDWTGYHAEIMK-JTQLQIEISA-N 1 0 249.318 0.334 20 30 BCEDRO CC#CCC[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000156798284 384963094 /nfs/dbraw/zinc/96/30/94/384963094.db2.gz JIHVGQJLBRAJTJ-GFCCVEGCSA-N 1 0 239.315 0.646 20 30 BCEDRO N#Cc1ccc(NCC[N@@H+]2CCCOCC2)nn1 ZINC000188494734 385061957 /nfs/dbraw/zinc/06/19/57/385061957.db2.gz LPZZLHMLEYSXPN-UHFFFAOYSA-N 1 0 247.302 0.482 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3nccnc3C#N)C[C@H]21 ZINC000364308076 385030491 /nfs/dbraw/zinc/03/04/91/385030491.db2.gz OPNPWQGEYIGUII-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO C[C@H](O)C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000408365025 385038564 /nfs/dbraw/zinc/03/85/64/385038564.db2.gz FFXJHQSDONAJLV-NSHDSACASA-N 1 0 223.320 0.289 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COCC ZINC000644638615 385039208 /nfs/dbraw/zinc/03/92/08/385039208.db2.gz ZUAWOJLAGWECQU-XQQFMLRXSA-N 1 0 243.347 0.955 20 30 BCEDRO C[N@H+](CCNC(=O)c1ccc(C#N)o1)C1CC1 ZINC000310555317 385112809 /nfs/dbraw/zinc/11/28/09/385112809.db2.gz YCLKDWAWQOCAQD-UHFFFAOYSA-N 1 0 233.271 0.975 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000646986585 385114497 /nfs/dbraw/zinc/11/44/97/385114497.db2.gz KIMYITXZFPECAY-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NCC(=C)Cl ZINC000296317041 533103527 /nfs/dbraw/zinc/10/35/27/533103527.db2.gz GPKQAWGZIUPVHV-UHFFFAOYSA-N 1 0 243.738 0.993 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000599003930 385088424 /nfs/dbraw/zinc/08/84/24/385088424.db2.gz MRZCCVXCCIVGHI-AWEZNQCLSA-N 1 0 245.326 0.978 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000246036130 385093240 /nfs/dbraw/zinc/09/32/40/385093240.db2.gz AEAFTWANLDSKLR-TUAOUCFPSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000246036127 385094867 /nfs/dbraw/zinc/09/48/67/385094867.db2.gz AEAFTWANLDSKLR-SDDRHHMPSA-N 1 0 240.347 0.770 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000530820509 385100147 /nfs/dbraw/zinc/10/01/47/385100147.db2.gz WVRFQXDNXMFHEP-ZJUUUORDSA-N 1 0 209.293 0.604 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000530820506 385100733 /nfs/dbraw/zinc/10/07/33/385100733.db2.gz WVRFQXDNXMFHEP-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO CCn1nccc1CN1CCN(CC#N)CC1 ZINC000129930885 385202528 /nfs/dbraw/zinc/20/25/28/385202528.db2.gz JVEXQWUKXOCGIH-UHFFFAOYSA-N 1 0 233.319 0.544 20 30 BCEDRO CC#CCN(C)[C@H](C)[C@H](C)S(C)(=O)=O ZINC000246599695 385194052 /nfs/dbraw/zinc/19/40/52/385194052.db2.gz GEKYRYIFVKKXRN-ZJUUUORDSA-N 1 0 217.334 0.763 20 30 BCEDRO CC[C@@H](C#N)NC(=O)[C@@H]1C[C@H](OC)CN1C ZINC000408049662 385194957 /nfs/dbraw/zinc/19/49/57/385194957.db2.gz COKYDLNYZFGNBH-GUBZILKMSA-N 1 0 225.292 0.124 20 30 BCEDRO N#Cc1cccc(C[NH+]2C[C@@H](O)[C@H](O)C2)c1 ZINC000236530102 385149640 /nfs/dbraw/zinc/14/96/40/385149640.db2.gz IZFHPAIZOMSGFX-VXGBXAGGSA-N 1 0 218.256 0.096 20 30 BCEDRO CC(C)[C@H](C(=O)N[C@H](C)CC#N)[NH+](C)C ZINC000359287876 385170698 /nfs/dbraw/zinc/17/06/98/385170698.db2.gz MFBJKRKHJUGBHO-NXEZZACHSA-N 1 0 211.309 0.991 20 30 BCEDRO C=CCCOCC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000647067980 385213253 /nfs/dbraw/zinc/21/32/53/385213253.db2.gz HNARCCAZFSSIEI-RKDXNWHRSA-N 1 0 200.282 0.431 20 30 BCEDRO Cn1cc(C[NH2+]CC(C)(C)O)cc1C#N ZINC000189595164 385217886 /nfs/dbraw/zinc/21/78/86/385217886.db2.gz ABGXAHVMEQUEND-UHFFFAOYSA-N 1 0 207.277 0.757 20 30 BCEDRO N#CCCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000068941581 385223740 /nfs/dbraw/zinc/22/37/40/385223740.db2.gz NZLPTUMQJGIGOV-VIFPVBQESA-N 1 0 216.306 0.457 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1cn(C)nn1 ZINC000308867618 385224722 /nfs/dbraw/zinc/22/47/22/385224722.db2.gz GWGIPXYEQVVGFU-SECBINFHSA-N 1 0 210.281 0.089 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+]C2(C(N)=O)CC2)C1 ZINC000308851897 385225634 /nfs/dbraw/zinc/22/56/34/385225634.db2.gz CIORSXCJUYJWRF-BDAKNGLRSA-N 1 0 207.277 0.676 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044828244 385228345 /nfs/dbraw/zinc/22/83/45/385228345.db2.gz LZVGJDSJBMOZJK-DTWKUNHWSA-N 1 0 207.277 0.499 20 30 BCEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CCC[C@@H](CC)C2)C1=O ZINC000491255834 385258197 /nfs/dbraw/zinc/25/81/97/385258197.db2.gz YEVBFINUDZRBJB-NEPJUHHUSA-N 1 0 248.326 0.869 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1nc(C)ccc1O ZINC000289728454 385307764 /nfs/dbraw/zinc/30/77/64/385307764.db2.gz GDVHDWCWWOOEQC-VIFPVBQESA-N 1 0 208.261 0.732 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000407991589 385322816 /nfs/dbraw/zinc/32/28/16/385322816.db2.gz WORFKQDZHWLIHP-MXWKQRLJSA-N 1 0 223.320 0.993 20 30 BCEDRO N#CCN1CC[NH+](C[C@H]2CCC=CO2)CC1 ZINC000191073357 385279879 /nfs/dbraw/zinc/27/98/79/385279879.db2.gz NVQPYVKNWLVWIM-GFCCVEGCSA-N 1 0 221.304 0.820 20 30 BCEDRO C[N@H+]([C@@H]1CC[C@@H](C#N)C1)[C@@H]1COC[C@H]1O ZINC000407997847 385344027 /nfs/dbraw/zinc/34/40/27/385344027.db2.gz OPSPYUXHEXPDJA-GWOFURMSSA-N 1 0 210.277 0.370 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(OC)nc1 ZINC000309086627 385410830 /nfs/dbraw/zinc/41/08/30/385410830.db2.gz YJYJPYMLXJHXQU-JTQLQIEISA-N 1 0 208.261 0.727 20 30 BCEDRO C[NH+](C)CC(=O)NCc1ccc(OCC#N)cc1 ZINC000170784254 385445717 /nfs/dbraw/zinc/44/57/17/385445717.db2.gz HDOQNHJQMYBDRE-UHFFFAOYSA-N 1 0 247.298 0.767 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1ncc(C)n1C ZINC000309167495 385446049 /nfs/dbraw/zinc/44/60/49/385446049.db2.gz JSHZGKHZVQUJAB-SNVBAGLBSA-N 1 0 209.293 0.755 20 30 BCEDRO C#CCN(C(=O)NC[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000491674440 385453202 /nfs/dbraw/zinc/45/32/02/385453202.db2.gz ROENCZWVMRCNNY-LLVKDONJSA-N 1 0 235.331 0.793 20 30 BCEDRO CC[C@](C)(O)CNC(=[NH2+])Nc1ccccn1 ZINC000170912697 385456325 /nfs/dbraw/zinc/45/63/25/385456325.db2.gz JUBUWEWRJBWKBA-NSHDSACASA-N 1 0 222.292 0.969 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000644079275 385430832 /nfs/dbraw/zinc/43/08/32/385430832.db2.gz WJLYXZUMYAJXGG-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000491671946 385432778 /nfs/dbraw/zinc/43/27/78/385432778.db2.gz OIDLOUUCCQVANQ-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO C=CCCOCC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000644087687 385436826 /nfs/dbraw/zinc/43/68/26/385436826.db2.gz UDGZDVJDNAGCNS-LBPRGKRZSA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCNC(=[NH2+])NCCN1CCOCC1(C)C ZINC000171413254 385483523 /nfs/dbraw/zinc/48/35/23/385483523.db2.gz WLAGEANGLOWOGD-UHFFFAOYSA-N 1 0 240.351 0.188 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)[C@@H](C)C#N ZINC000309195203 385459858 /nfs/dbraw/zinc/45/98/58/385459858.db2.gz DFPUNHBULZRZQD-UWVGGRQHSA-N 1 0 247.364 0.547 20 30 BCEDRO CCCN(CC#N)C[C@H](O)Cn1cccn1 ZINC000171637914 385503019 /nfs/dbraw/zinc/50/30/19/385503019.db2.gz LETYLDIBYNNMDF-NSHDSACASA-N 1 0 222.292 0.480 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000368532381 533124975 /nfs/dbraw/zinc/12/49/75/533124975.db2.gz YMZDTTKIDAHZOL-QWHCGFSZSA-N 1 0 245.326 0.846 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644143617 385531022 /nfs/dbraw/zinc/53/10/22/385531022.db2.gz VIKCIDUELNUXNP-SNVBAGLBSA-N 1 0 224.304 0.447 20 30 BCEDRO N#Cc1ccc(N2CC[NH+](C3CC3)CC2)nc1N ZINC000564470169 385544603 /nfs/dbraw/zinc/54/46/03/385544603.db2.gz KWDVVQVXSRLARI-UHFFFAOYSA-N 1 0 243.314 0.820 20 30 BCEDRO C=CCCOCC(=O)N(C)C1(C[NH3+])CCC1 ZINC000644139674 385524949 /nfs/dbraw/zinc/52/49/49/385524949.db2.gz KXEJBUOMUMZQII-UHFFFAOYSA-N 1 0 226.320 0.919 20 30 BCEDRO C#C[C@H]1COCCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000491698661 385561123 /nfs/dbraw/zinc/56/11/23/385561123.db2.gz BPCXZSLVYHOZSG-NWDGAFQWSA-N 1 0 249.310 0.806 20 30 BCEDRO CCCCNC(=O)CN1CC[C@@](O)(CC#N)C1 ZINC000592146549 385568167 /nfs/dbraw/zinc/56/81/67/385568167.db2.gz CSQZHLNXJOVXDV-LBPRGKRZSA-N 1 0 239.319 0.253 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[NH+](C)C ZINC000187407089 385595203 /nfs/dbraw/zinc/59/52/03/385595203.db2.gz ODNHRAQJWNGPNV-UHFFFAOYSA-N 1 0 206.311 0.044 20 30 BCEDRO CC(C)[C@H](C(=O)N1CC(CC#N)C1)[NH+](C)C ZINC000598030665 385592818 /nfs/dbraw/zinc/59/28/18/385592818.db2.gz GFLOHRJTQBITMZ-LLVKDONJSA-N 1 0 223.320 0.945 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644822384 385643829 /nfs/dbraw/zinc/64/38/29/385643829.db2.gz SFSYMLTTYIELAP-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@]1(C)CCCO1 ZINC000151239589 134463263 /nfs/dbraw/zinc/46/32/63/134463263.db2.gz FXABNXNAAFNCTL-GXSJLCMTSA-N 1 0 229.324 0.495 20 30 BCEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)NCCF ZINC000309523946 385657234 /nfs/dbraw/zinc/65/72/34/385657234.db2.gz CJQJHVZTJYAKIX-GUBZILKMSA-N 1 0 227.283 0.742 20 30 BCEDRO C#CCNC(NC[C@H]1CCC[C@H]1O)=[NH+]CC ZINC000262796639 533142955 /nfs/dbraw/zinc/14/29/55/533142955.db2.gz PTFKRZKHMPSLNK-GHMZBOCLSA-N 1 0 223.320 0.336 20 30 BCEDRO C#CCNC(NCCn1ccnc1)=[NH+]CC ZINC000262612258 533142299 /nfs/dbraw/zinc/14/22/99/533142299.db2.gz JWHZYSAMSHSDNL-UHFFFAOYSA-N 1 0 219.292 0.071 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(S(=O)(=O)CCC#N)C1 ZINC000408193734 385679750 /nfs/dbraw/zinc/67/97/50/385679750.db2.gz UQHAOJPTNQLQSO-SNVBAGLBSA-N 1 0 245.348 0.256 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000309549544 385680976 /nfs/dbraw/zinc/68/09/76/385680976.db2.gz HSBYJLQCZATDHE-WDEREUQCSA-N 1 0 226.320 0.693 20 30 BCEDRO C#CCNC(NC[C@]1(O)CCSC1)=[NH+]CC ZINC000262417862 533142802 /nfs/dbraw/zinc/14/28/02/533142802.db2.gz QLNWCKSOAOAYLM-LLVKDONJSA-N 1 0 241.360 0.043 20 30 BCEDRO C#CCNC(NCc1nc(C)no1)=[NH+]CC ZINC000262631965 533142587 /nfs/dbraw/zinc/14/25/87/533142587.db2.gz WOIJRTZXBHDPBS-UHFFFAOYSA-N 1 0 221.264 0.066 20 30 BCEDRO C[C@H](C#N)C(=O)NCCNc1ccccn1 ZINC000336685316 385686993 /nfs/dbraw/zinc/68/69/93/385686993.db2.gz TZLDYKMWTBOFGZ-SECBINFHSA-N 1 0 218.260 0.769 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nccc(C#N)n1 ZINC000408455804 385688079 /nfs/dbraw/zinc/68/80/79/385688079.db2.gz FIFZYTKOMFKAHY-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000309585532 385717864 /nfs/dbraw/zinc/71/78/64/385717864.db2.gz SCOSCNYBQDZYDJ-KOLCDFICSA-N 1 0 221.304 0.934 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@H]2C[NH2+]CC[C@@H]2C1)C(C)C ZINC000491730228 385701225 /nfs/dbraw/zinc/70/12/25/385701225.db2.gz JKZAUVGVDLMGFB-UPJWGTAASA-N 1 0 249.358 0.895 20 30 BCEDRO C#CCNC(NC[C@H]1CCCS1)=[NH+]C ZINC000262007372 533140851 /nfs/dbraw/zinc/14/08/51/533140851.db2.gz VXNSFIAMUXMBDH-SECBINFHSA-N 1 0 211.334 0.680 20 30 BCEDRO C#CCNC(NC[C@](C)(O)c1ccc(C)o1)=[NH+]C ZINC000262349624 533141189 /nfs/dbraw/zinc/14/11/89/533141189.db2.gz HEHBLFQUVBXUDY-ZDUSSCGKSA-N 1 0 249.314 0.594 20 30 BCEDRO C#CCNC(NCc1c(C)noc1C)=[NH+]C ZINC000175472655 533141782 /nfs/dbraw/zinc/14/17/82/533141782.db2.gz UKWDXPJIOCRGRB-UHFFFAOYSA-N 1 0 220.276 0.590 20 30 BCEDRO C#CCNC(NCCc1nccs1)=[NH+]C ZINC000262611020 533142174 /nfs/dbraw/zinc/14/21/74/533142174.db2.gz JESBCOQBBCJNIY-UHFFFAOYSA-N 1 0 222.317 0.484 20 30 BCEDRO C[NH+](C)C1(CNC(=O)c2ccc(C#N)o2)CC1 ZINC000397910000 385729029 /nfs/dbraw/zinc/72/90/29/385729029.db2.gz YZQCESLTHSJXJY-UHFFFAOYSA-N 1 0 233.271 0.975 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+]CCOCCO)C1 ZINC000185756482 385732885 /nfs/dbraw/zinc/73/28/85/385732885.db2.gz KNNRYJAUVSDODN-QWRGUYRKSA-N 1 0 212.293 0.667 20 30 BCEDRO CC(C)(CC(N)=O)[NH2+]CCCSCC#N ZINC000186210571 385747503 /nfs/dbraw/zinc/74/75/03/385747503.db2.gz UDJBILMKELPDHE-UHFFFAOYSA-N 1 0 229.349 0.877 20 30 BCEDRO C[C@H](C#N)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000602095337 385766052 /nfs/dbraw/zinc/76/60/52/385766052.db2.gz ATPBPHFDBHVSKQ-SECBINFHSA-N 1 0 209.293 0.604 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000309649194 385769093 /nfs/dbraw/zinc/76/90/93/385769093.db2.gz RUNJSYUUUDKCIJ-SNVBAGLBSA-N 1 0 232.349 0.624 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)CC(=O)N(C)C ZINC000186699821 385782750 /nfs/dbraw/zinc/78/27/50/385782750.db2.gz QIBLZUSQCIQKPO-VHSXEESVSA-N 1 0 214.309 0.380 20 30 BCEDRO C[NH+](C)C1(CNc2ccnc(C#N)c2)CC1 ZINC000397864889 385721618 /nfs/dbraw/zinc/72/16/18/385721618.db2.gz ZQDYMHHUCQGHRI-UHFFFAOYSA-N 1 0 216.288 0.881 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCC(=O)NC2)C1 ZINC000309593644 385721900 /nfs/dbraw/zinc/72/19/00/385721900.db2.gz TUTVERQVUYAWLK-GMTAPVOTSA-N 1 0 221.304 0.937 20 30 BCEDRO C#CC[N@H+](C)CCN1CCOC(C)(C)C1 ZINC000491748241 385798957 /nfs/dbraw/zinc/79/89/57/385798957.db2.gz XUWGIZYTGXKFCR-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](C)CCC#N ZINC000602686807 385814246 /nfs/dbraw/zinc/81/42/46/385814246.db2.gz FCLZKNOJPQWGRN-OUAUKWLOSA-N 1 0 212.293 0.930 20 30 BCEDRO C[C@H](CO)C[NH2+]Cc1nc(C#N)cs1 ZINC000336656887 385815826 /nfs/dbraw/zinc/81/58/26/385815826.db2.gz PCKKIKAADBGYAC-ZETCQYMHSA-N 1 0 211.290 0.733 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C#N)C(C)C)CC1 ZINC000264808437 533148035 /nfs/dbraw/zinc/14/80/35/533148035.db2.gz VLOBKBVTTRQAKM-ZDUSSCGKSA-N 1 0 247.342 0.996 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413795354 385883608 /nfs/dbraw/zinc/88/36/08/385883608.db2.gz BKBTUQQIIXDLDQ-QWRGUYRKSA-N 1 0 239.319 0.109 20 30 BCEDRO C[C@H]1C[C@H](N(C)CC(=O)NCC#N)CC[N@@H+]1C ZINC000123470421 385885148 /nfs/dbraw/zinc/88/51/48/385885148.db2.gz NPQKSVCRUIPLDP-WDEREUQCSA-N 1 0 238.335 0.041 20 30 BCEDRO C#CC[NH+]1CCC(N2C(=O)CCCC2=O)CC1 ZINC000372807356 533151016 /nfs/dbraw/zinc/15/10/16/533151016.db2.gz WPTRTDMRICFSCZ-UHFFFAOYSA-N 1 0 234.299 0.623 20 30 BCEDRO C#CC[NH+]1CCC(c2ccnn2CCO)CC1 ZINC000195508716 533149638 /nfs/dbraw/zinc/14/96/38/533149638.db2.gz YNNABJVVDIVIRQ-UHFFFAOYSA-N 1 0 233.315 0.688 20 30 BCEDRO CNC(=O)c1cccc(CNC2=[NH+]CCN2C)c1 ZINC000262688628 385874251 /nfs/dbraw/zinc/87/42/51/385874251.db2.gz ZLFYVUCICGVJNW-UHFFFAOYSA-N 1 0 246.314 0.437 20 30 BCEDRO CN(CCC[NH+](C)C)c1nccc(C#N)n1 ZINC000231901750 385875242 /nfs/dbraw/zinc/87/52/42/385875242.db2.gz FPAUVXALAOUSJW-UHFFFAOYSA-N 1 0 219.292 0.736 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000643253316 385988070 /nfs/dbraw/zinc/98/80/70/385988070.db2.gz JKWIKOQRCHNWBQ-MNOVXSKESA-N 1 0 229.320 0.395 20 30 BCEDRO C#CC[N@H+]1CCC[C@@](COC)(C(=O)OCC)C1 ZINC000374171548 533154653 /nfs/dbraw/zinc/15/46/53/533154653.db2.gz JBVDBQKEJJHPEL-CYBMUJFWSA-N 1 0 239.315 0.911 20 30 BCEDRO C=C(CC)C[NH2+]C[C@H](O)COCCOC ZINC000313503735 385954311 /nfs/dbraw/zinc/95/43/11/385954311.db2.gz MQPHZQJANJRXBZ-NSHDSACASA-N 1 0 217.309 0.566 20 30 BCEDRO C#CC[NH+]1CCC2(CC1)SCC(=O)N2C ZINC000371624139 533152324 /nfs/dbraw/zinc/15/23/24/533152324.db2.gz ILVVMOFCIKIMLB-UHFFFAOYSA-N 1 0 224.329 0.617 20 30 BCEDRO C#CC[NH+]1CCC2(CC1)[C@H](OCC)C[C@@H]2O ZINC000304395102 533152939 /nfs/dbraw/zinc/15/29/39/533152939.db2.gz VINVJXVWUIQVPM-NWDGAFQWSA-N 1 0 223.316 0.872 20 30 BCEDRO Cc1nc(C(=O)N2CC[NH2+][C@H](C)C2)ccc1C#N ZINC000569587226 386000933 /nfs/dbraw/zinc/00/09/33/386000933.db2.gz AJWMTIZNIBITFD-SECBINFHSA-N 1 0 244.298 0.696 20 30 BCEDRO CC[C@@H]1CC[N@@H+]1C[C@H](O)CN(C)CCC#N ZINC000414121720 386014206 /nfs/dbraw/zinc/01/42/06/386014206.db2.gz HRDOEIIDIAGXSR-VXGBXAGGSA-N 1 0 225.336 0.677 20 30 BCEDRO CC[C@@H](CO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189579790 386031539 /nfs/dbraw/zinc/03/15/39/386031539.db2.gz ZBIPKSFCPDVXSN-JTQLQIEISA-N 1 0 207.277 0.757 20 30 BCEDRO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)[NH+](C)C ZINC000267107348 386032554 /nfs/dbraw/zinc/03/25/54/386032554.db2.gz QLWSFZYSMBONIZ-MRVPVSSYSA-N 1 0 220.276 0.566 20 30 BCEDRO CC(C)[C@H]1CC[N@@H+]1C[C@@H](O)CN(C)CCC#N ZINC000414157696 386042265 /nfs/dbraw/zinc/04/22/65/386042265.db2.gz YOWAOFQUMDWSIT-QWHCGFSZSA-N 1 0 239.363 0.923 20 30 BCEDRO C#CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@H]21 ZINC000374423532 533158917 /nfs/dbraw/zinc/15/89/17/533158917.db2.gz WJIBRNCPLHPQJH-JHJVBQTASA-N 1 0 222.332 0.803 20 30 BCEDRO C=CCOCCCC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638936654 386067546 /nfs/dbraw/zinc/06/75/46/386067546.db2.gz RKWLHBDBUZYYDF-MNOVXSKESA-N 1 0 226.320 0.917 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000345838879 386122400 /nfs/dbraw/zinc/12/24/00/386122400.db2.gz HUDMLYILOOWHPK-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000345871273 386138777 /nfs/dbraw/zinc/13/87/77/386138777.db2.gz BFCXAKLNVSDPGI-UTUOFQBUSA-N 1 0 248.330 0.934 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCc1cnn(C)c1 ZINC000264118577 386209352 /nfs/dbraw/zinc/20/93/52/386209352.db2.gz UBJJVXYSECKQPY-UHFFFAOYSA-N 1 0 237.351 0.913 20 30 BCEDRO CCCC[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC000347119136 386235486 /nfs/dbraw/zinc/23/54/86/386235486.db2.gz WHXROFOLKTWSNS-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO C[C@H]1CN(CC2(C#N)CC2)CC[N@@H+]1CCO ZINC000408352666 386198152 /nfs/dbraw/zinc/19/81/52/386198152.db2.gz SYNLAJYYCVCDLH-NSHDSACASA-N 1 0 223.320 0.289 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC(C)C ZINC000451683556 386324192 /nfs/dbraw/zinc/32/41/92/386324192.db2.gz UZHVBVKPGLZDMG-MNOVXSKESA-N 1 0 226.320 0.834 20 30 BCEDRO C#CCNC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000115779479 533165695 /nfs/dbraw/zinc/16/56/95/533165695.db2.gz SKPSWLPHMIBGGQ-LLVKDONJSA-N 1 0 223.320 0.603 20 30 BCEDRO C=CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000416433606 386308679 /nfs/dbraw/zinc/30/86/79/386308679.db2.gz PWQNHSKSXJUBOQ-SNVBAGLBSA-N 1 0 209.293 0.708 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000416457499 386310404 /nfs/dbraw/zinc/31/04/04/386310404.db2.gz OHPSWOKHWSHUTE-BBBLOLIVSA-N 1 0 245.348 0.301 20 30 BCEDRO C=CCNC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000416445970 386320515 /nfs/dbraw/zinc/32/05/15/386320515.db2.gz NPOZDKQQNIQKBF-BDAKNGLRSA-N 1 0 227.308 0.585 20 30 BCEDRO C=CCNC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000416445973 386321257 /nfs/dbraw/zinc/32/12/57/386321257.db2.gz NPOZDKQQNIQKBF-RKDXNWHRSA-N 1 0 227.308 0.585 20 30 BCEDRO N#CCCCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347287807 386322080 /nfs/dbraw/zinc/32/20/80/386322080.db2.gz JWXRAZVCVXSZQT-QWRGUYRKSA-N 1 0 212.293 0.498 20 30 BCEDRO C#CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000375633465 533169533 /nfs/dbraw/zinc/16/95/33/533169533.db2.gz XSBQPNUEMLVQEE-VXGBXAGGSA-N 1 0 235.331 0.888 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170740524 533169659 /nfs/dbraw/zinc/16/96/59/533169659.db2.gz SQPZHRCZVUUCEG-NSHDSACASA-N 1 0 221.304 0.499 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000647888704 386351060 /nfs/dbraw/zinc/35/10/60/386351060.db2.gz MNCOZKHKWKHOPX-WDEREUQCSA-N 1 0 246.376 0.917 20 30 BCEDRO C[N@H+](CCC(N)=O)Cc1ccc(C#N)o1 ZINC000289765523 386352936 /nfs/dbraw/zinc/35/29/36/386352936.db2.gz RCEUREVNNOCSLH-UHFFFAOYSA-N 1 0 207.233 0.458 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347315794 386355994 /nfs/dbraw/zinc/35/59/94/386355994.db2.gz RQHLPSYKFUMRLU-GRYCIOLGSA-N 1 0 229.320 0.131 20 30 BCEDRO CC#CC[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000280935409 386359870 /nfs/dbraw/zinc/35/98/70/386359870.db2.gz HKODPAUMHGNAHU-UHFFFAOYSA-N 1 0 220.276 0.301 20 30 BCEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)NCCC#N ZINC000408364507 386363820 /nfs/dbraw/zinc/36/38/20/386363820.db2.gz CMZGOGUVUPUZAP-LLVKDONJSA-N 1 0 238.335 0.883 20 30 BCEDRO C=CCC[C@@H](O)CN(C)[C@@H](C)C(=O)OC ZINC000280796436 386372171 /nfs/dbraw/zinc/37/21/71/386372171.db2.gz RNKABURVASIGJJ-VHSXEESVSA-N 1 0 215.293 0.807 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnnn1C ZINC000280742084 386373020 /nfs/dbraw/zinc/37/30/20/386373020.db2.gz WXVCSXUXDVNFKA-CMPLNLGQSA-N 1 0 236.319 0.886 20 30 BCEDRO C#CCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000368493319 533168269 /nfs/dbraw/zinc/16/82/69/533168269.db2.gz AZXVTRIGXICFCI-UHFFFAOYSA-N 1 0 207.277 0.109 20 30 BCEDRO C=C(C)CS(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416505393 386329385 /nfs/dbraw/zinc/32/93/85/386329385.db2.gz AWRPVEWEDWLFSP-UHFFFAOYSA-N 1 0 234.365 0.822 20 30 BCEDRO N#CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000408367894 386394021 /nfs/dbraw/zinc/39/40/21/386394021.db2.gz ZMMZTHBWBWYLPG-SECBINFHSA-N 1 0 222.292 0.436 20 30 BCEDRO C#CCNC(=O)NCC[NH+]1CCCCC1 ZINC000298637134 533171462 /nfs/dbraw/zinc/17/14/62/533171462.db2.gz DFXWXUDDBPSXNF-UHFFFAOYSA-N 1 0 209.293 0.405 20 30 BCEDRO CC[NH+]1CCC(NC(=O)NCCC#N)CC1 ZINC000408367022 386408298 /nfs/dbraw/zinc/40/82/98/386408298.db2.gz RROVFEUJDWLTPT-UHFFFAOYSA-N 1 0 224.308 0.684 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCSC[C@@H]1CO ZINC000347481556 386435579 /nfs/dbraw/zinc/43/55/79/386435579.db2.gz OZCRWTUSCHSZEX-WDEREUQCSA-N 1 0 231.361 0.723 20 30 BCEDRO C=CCSCCNC(=O)NCCCC[NH3+] ZINC000417341599 386483735 /nfs/dbraw/zinc/48/37/35/386483735.db2.gz LNAWXCMGEXRPST-UHFFFAOYSA-N 1 0 231.365 0.944 20 30 BCEDRO C=CCSCCNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000417344065 386485013 /nfs/dbraw/zinc/48/50/13/386485013.db2.gz PNRBKUPCJRICPX-JTQLQIEISA-N 1 0 243.376 0.896 20 30 BCEDRO C=CCSCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417347850 386488144 /nfs/dbraw/zinc/48/81/44/386488144.db2.gz WYAMKTOUPCNSSC-SNVBAGLBSA-N 1 0 243.376 0.909 20 30 BCEDRO C=C(C)CCN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000335453680 386529582 /nfs/dbraw/zinc/52/95/82/386529582.db2.gz DLNHSTKQNUMMPX-GFCCVEGCSA-N 1 0 237.303 0.627 20 30 BCEDRO C[C@@H]1C[N@H+](CCCCC#N)C[C@H](C(N)=O)O1 ZINC000122858676 386522908 /nfs/dbraw/zinc/52/29/08/386522908.db2.gz SXJXCYIHJURRIS-NXEZZACHSA-N 1 0 225.292 0.255 20 30 BCEDRO C=CCCOCCNC(=O)N[C@H](C)C[NH3+] ZINC000417921662 386462221 /nfs/dbraw/zinc/46/22/21/386462221.db2.gz BGDFYDWWGVDMAT-SECBINFHSA-N 1 0 215.297 0.226 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@@H](C)C[NH2+]C ZINC000417921687 386463066 /nfs/dbraw/zinc/46/30/66/386463066.db2.gz BLBDWZSBPMVFBF-NSHDSACASA-N 1 0 243.351 0.734 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)cc1 ZINC000572038238 386464704 /nfs/dbraw/zinc/46/47/04/386464704.db2.gz IPMTWRMWMONKJR-UONOGXRCSA-N 1 0 246.310 0.733 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CC1(O)CCCC1 ZINC000124231863 386585797 /nfs/dbraw/zinc/58/57/97/386585797.db2.gz WWDQBNNZSUPGHF-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000339756070 386592396 /nfs/dbraw/zinc/59/23/96/386592396.db2.gz KBWHMWVNXUFICA-NSHDSACASA-N 1 0 244.360 0.223 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CC[C@H]([NH2+]C)C1 ZINC000123152044 386533310 /nfs/dbraw/zinc/53/33/10/386533310.db2.gz AYCFIAAOQGKZPF-LBPRGKRZSA-N 1 0 237.347 0.481 20 30 BCEDRO N#CCSCC(=O)NCC[NH+]1CCCCC1 ZINC000046856391 386537603 /nfs/dbraw/zinc/53/76/03/386537603.db2.gz VPUSOAKBFDGTDP-UHFFFAOYSA-N 1 0 241.360 0.845 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000123210270 386547468 /nfs/dbraw/zinc/54/74/68/386547468.db2.gz HZRBSESPFRLCRX-NXEZZACHSA-N 1 0 239.319 0.871 20 30 BCEDRO C[C@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000123668217 386562931 /nfs/dbraw/zinc/56/29/31/386562931.db2.gz QKIIXKDDUXAQRB-WDEREUQCSA-N 1 0 239.319 0.252 20 30 BCEDRO CO[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@@H](C)C1 ZINC000408424112 386573738 /nfs/dbraw/zinc/57/37/38/386573738.db2.gz CYQRZKRKGLOCOT-VHSXEESVSA-N 1 0 225.292 0.125 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425552840 386627992 /nfs/dbraw/zinc/62/79/92/386627992.db2.gz SJLFNAJSIHJFFE-JTQLQIEISA-N 1 0 222.292 0.797 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000644947801 386633946 /nfs/dbraw/zinc/63/39/46/386633946.db2.gz NLMHIQXSGKWZTM-NEPJUHHUSA-N 1 0 236.319 0.852 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CO ZINC000049751336 386656284 /nfs/dbraw/zinc/65/62/84/386656284.db2.gz VQLRSVNDXPEAPR-SNVBAGLBSA-N 1 0 212.293 0.135 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+](CC)CCO ZINC000049754329 386654471 /nfs/dbraw/zinc/65/44/71/386654471.db2.gz BOMFBHOBIDRXCS-UHFFFAOYSA-N 1 0 226.320 0.501 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1cccc(C#N)n1 ZINC000228670365 386600332 /nfs/dbraw/zinc/60/03/32/386600332.db2.gz QHQMVJHYZSXJJO-GFCCVEGCSA-N 1 0 234.303 0.678 20 30 BCEDRO N#CCC[NH2+]CCCN1C(=O)CCC1=O ZINC000520219147 386604178 /nfs/dbraw/zinc/60/41/78/386604178.db2.gz WUPFCXPFWIQOTK-UHFFFAOYSA-N 1 0 209.249 0.029 20 30 BCEDRO CNS(=O)(=O)C[C@@H]1CCC[N@@H+]1CCCC#N ZINC000330363711 386673378 /nfs/dbraw/zinc/67/33/78/386673378.db2.gz PUWXUZJSKUYOAR-JTQLQIEISA-N 1 0 245.348 0.304 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)OC ZINC000294011342 386674451 /nfs/dbraw/zinc/67/44/51/386674451.db2.gz PRVJZVMVUQDOIV-SNVBAGLBSA-N 1 0 212.293 0.093 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H](n2cnc(C(N)=O)n2)C1 ZINC000330419844 386709955 /nfs/dbraw/zinc/70/99/55/386709955.db2.gz CQFMRHAKKFUXAD-SNVBAGLBSA-N 1 0 249.318 0.590 20 30 BCEDRO C=C(C)C[N@@H+](CC)CC(=O)NCCC(=O)OC ZINC000066863659 386708604 /nfs/dbraw/zinc/70/86/04/386708604.db2.gz PDJKVBNBQCBYIJ-UHFFFAOYSA-N 1 0 242.319 0.564 20 30 BCEDRO C[C@H]1CN(C(=O)CC#N)CC[N@@H+]1CC(C)(C)O ZINC000408441103 386730633 /nfs/dbraw/zinc/73/06/33/386730633.db2.gz GWKKOPRZUAUQJO-JTQLQIEISA-N 1 0 239.319 0.204 20 30 BCEDRO C=CCC[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000330443627 386738892 /nfs/dbraw/zinc/73/88/92/386738892.db2.gz QDMOKOUILYYILO-UHFFFAOYSA-N 1 0 218.322 0.315 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](NC(=O)NCCC(N)=O)C1 ZINC000330464230 386723159 /nfs/dbraw/zinc/72/31/59/386723159.db2.gz ORVNZQPXDNOPLS-SECBINFHSA-N 1 0 242.323 0.900 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCN1CCCC1=O ZINC000405430446 386728890 /nfs/dbraw/zinc/72/88/90/386728890.db2.gz JUDIZCUAWUJDIV-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C=CCCOCCNC(=O)NC(C)(C)C[NH3+] ZINC000417954021 386762507 /nfs/dbraw/zinc/76/25/07/386762507.db2.gz DZURDQPFHVECGN-UHFFFAOYSA-N 1 0 229.324 0.616 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](CO)[C@@H]1CCOC1 ZINC000279974669 386763480 /nfs/dbraw/zinc/76/34/80/386763480.db2.gz DVHDTHWPYVFXOC-MNOVXSKESA-N 1 0 241.335 0.112 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000330550471 386765332 /nfs/dbraw/zinc/76/53/32/386765332.db2.gz XEHZFBFAKAFFMF-UWVGGRQHSA-N 1 0 241.360 0.842 20 30 BCEDRO C[C@H](C[NH+](C)C)NS(=O)(=O)CC1(C#N)CC1 ZINC000344890074 386791956 /nfs/dbraw/zinc/79/19/56/386791956.db2.gz SXOYKXPEZZJHPB-SECBINFHSA-N 1 0 245.348 0.160 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCC#N ZINC000418002172 386822339 /nfs/dbraw/zinc/82/23/39/386822339.db2.gz LWWKBCUJTKHJPL-UWVGGRQHSA-N 1 0 224.308 0.587 20 30 BCEDRO C[C@@H](CNC(=O)N[C@H]1CCC[C@H]1C#N)[NH+](C)C ZINC000458644402 386802405 /nfs/dbraw/zinc/80/24/05/386802405.db2.gz JBAJPKDKVNBWAA-DCAQKATOSA-N 1 0 238.335 0.928 20 30 BCEDRO CC[C@H](CO)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000330654881 386812502 /nfs/dbraw/zinc/81/25/02/386812502.db2.gz KKFUDRKDLNWZDX-ZJUUUORDSA-N 1 0 229.324 0.355 20 30 BCEDRO CC#CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000341060554 386831873 /nfs/dbraw/zinc/83/18/73/386831873.db2.gz ZLPSRXHUWANDAW-MNOVXSKESA-N 1 0 208.305 0.666 20 30 BCEDRO C=CCCOCCNC(=O)NCC(C)(C)[NH3+] ZINC000417959852 386843386 /nfs/dbraw/zinc/84/33/86/386843386.db2.gz MCFBOMUZMLJILC-UHFFFAOYSA-N 1 0 229.324 0.616 20 30 BCEDRO C#CCSCCNC(=[NH2+])NCC(C)C ZINC000178581778 533200458 /nfs/dbraw/zinc/20/04/58/533200458.db2.gz JRZKDHWXVDUYFQ-UHFFFAOYSA-N 1 0 213.350 0.913 20 30 BCEDRO C=CC[NH+](CC=C)C[C@@H](O)Cn1cccn1 ZINC000051767208 386869414 /nfs/dbraw/zinc/86/94/14/386869414.db2.gz VUCODEQNQHBANA-GFCCVEGCSA-N 1 0 221.304 0.918 20 30 BCEDRO C[C@H](NC(=O)N(C)CCO)C1=CC[N@H+](C)CC1 ZINC000330766739 386882270 /nfs/dbraw/zinc/88/22/70/386882270.db2.gz KXQFAKULVNEUIA-JTQLQIEISA-N 1 0 241.335 0.475 20 30 BCEDRO Cc1nccc(NC(=O)N(C)CC[NH+](C)C)n1 ZINC000331141272 386972837 /nfs/dbraw/zinc/97/28/37/386972837.db2.gz FHOCRJJUZQFIDX-UHFFFAOYSA-N 1 0 237.307 0.824 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000417895278 386997433 /nfs/dbraw/zinc/99/74/33/386997433.db2.gz UOLFDXGSRZZPNZ-LLVKDONJSA-N 1 0 243.351 0.862 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000417895279 386998426 /nfs/dbraw/zinc/99/84/26/386998426.db2.gz UOLFDXGSRZZPNZ-NSHDSACASA-N 1 0 243.351 0.862 20 30 BCEDRO C=C(C)COCCNC(=O)NCCC[NH2+]C ZINC000417888957 386949209 /nfs/dbraw/zinc/94/92/09/386949209.db2.gz MUAAZMHUAGCDRJ-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C=CC[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000305175372 387049051 /nfs/dbraw/zinc/04/90/51/387049051.db2.gz ARLXFJZBVYBXMH-JTQLQIEISA-N 1 0 213.277 0.418 20 30 BCEDRO C=CCn1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@H]2C)nn1 ZINC000648108014 387052036 /nfs/dbraw/zinc/05/20/36/387052036.db2.gz MYNRSNHNZFINPH-NXEZZACHSA-N 1 0 249.318 0.287 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000418036934 387064154 /nfs/dbraw/zinc/06/41/54/387064154.db2.gz XAXVEMZYFGMLRL-WDEREUQCSA-N 1 0 223.320 0.779 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000418036933 387064194 /nfs/dbraw/zinc/06/41/94/387064194.db2.gz XAXVEMZYFGMLRL-QWRGUYRKSA-N 1 0 223.320 0.779 20 30 BCEDRO CC#CCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418025976 387026516 /nfs/dbraw/zinc/02/65/16/387026516.db2.gz GOIYXJHJLLGCDC-JTQLQIEISA-N 1 0 209.293 0.436 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000334995892 387088329 /nfs/dbraw/zinc/08/83/29/387088329.db2.gz OBPCUCLJTHZRLG-JSGCOSHPSA-N 1 0 249.358 0.459 20 30 BCEDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1cccc(C#N)c1 ZINC000295851551 387097999 /nfs/dbraw/zinc/09/79/99/387097999.db2.gz DXTVBLOANLUEKL-ZWKOPEQDSA-N 1 0 232.283 0.969 20 30 BCEDRO CC#CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000334945951 387108396 /nfs/dbraw/zinc/10/83/96/387108396.db2.gz SHSMJQPVMTYEPH-ZACCUICWSA-N 1 0 221.304 0.592 20 30 BCEDRO C=CCCCNC(=O)NCC[NH2+]CCOC ZINC000418101854 387120046 /nfs/dbraw/zinc/12/00/46/387120046.db2.gz SOXVQXLKYJUNGM-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C=CCCCNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000418099404 387128799 /nfs/dbraw/zinc/12/87/99/387128799.db2.gz NFWAEOYIKNWBGC-UHFFFAOYSA-N 1 0 239.319 0.336 20 30 BCEDRO COCCNCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000423344564 387193018 /nfs/dbraw/zinc/19/30/18/387193018.db2.gz WZLXQCGYODWTJN-NEPJUHHUSA-N 1 0 225.336 0.894 20 30 BCEDRO C=CC[C@H](CC)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418154511 387175123 /nfs/dbraw/zinc/17/51/23/387175123.db2.gz XURGLRTTWUBAIK-UKKRHICBSA-N 1 0 223.320 0.858 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2C[NH2+]CC[C@@H]2C)nn1 ZINC000648111537 387137794 /nfs/dbraw/zinc/13/77/94/387137794.db2.gz XEGLDBYJXIMLLT-VHSXEESVSA-N 1 0 249.318 0.192 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000161625427 387243065 /nfs/dbraw/zinc/24/30/65/387243065.db2.gz ZOIAUBZFRNJFBY-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CCC[NH2+]CC2)nn1 ZINC000648120153 387266630 /nfs/dbraw/zinc/26/66/30/387266630.db2.gz PSGAOUDCWBWZAP-SNVBAGLBSA-N 1 0 249.318 0.336 20 30 BCEDRO CC#CCCN1CC[NH+](C[C@@H](C)O)CC1 ZINC000189378046 387281424 /nfs/dbraw/zinc/28/14/24/387281424.db2.gz TUQNAOHAJAGLBT-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H](C)CCC#N ZINC000514864646 387298956 /nfs/dbraw/zinc/29/89/56/387298956.db2.gz JHBADHGSXZCWQQ-ZJUUUORDSA-N 1 0 211.309 0.993 20 30 BCEDRO CC1CC[NH+](CCNC(=O)CC#N)CC1 ZINC000130312924 387303794 /nfs/dbraw/zinc/30/37/94/387303794.db2.gz RYLRUHTUTLRBIT-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO Cn1cc(C[N@@H+]2CCC[C@H]2CO)cc1C#N ZINC000191270827 387365188 /nfs/dbraw/zinc/36/51/88/387365188.db2.gz LBVYZRXWUKCJDQ-NSHDSACASA-N 1 0 219.288 0.853 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC000515066468 387330198 /nfs/dbraw/zinc/33/01/98/387330198.db2.gz QUDDVXUDFXKEIU-GFCCVEGCSA-N 1 0 239.363 0.610 20 30 BCEDRO COCCO[C@H]1COCC[C@@H]1[NH2+]CCC#N ZINC000515166852 387341441 /nfs/dbraw/zinc/34/14/41/387341441.db2.gz LEBDEALDMPNVSI-QWRGUYRKSA-N 1 0 228.292 0.310 20 30 BCEDRO Cn1cc(C[N@@H+]2CCC[C@@H](O)C2)cc1C#N ZINC000191164014 387350625 /nfs/dbraw/zinc/35/06/25/387350625.db2.gz DNWAHXKROGVYPR-GFCCVEGCSA-N 1 0 219.288 0.853 20 30 BCEDRO C#CCCN(CCOC)CC(=O)N(C)C ZINC000269807866 387423854 /nfs/dbraw/zinc/42/38/54/387423854.db2.gz BDYQLMPGNRTRMB-UHFFFAOYSA-N 1 0 212.293 0.046 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418399245 387425320 /nfs/dbraw/zinc/42/53/20/387425320.db2.gz DPKYLSGZTMFREV-UWVGGRQHSA-N 1 0 209.293 0.436 20 30 BCEDRO C#CCC[N@@H+](CCO)Cc1cccnc1 ZINC000270635174 387434286 /nfs/dbraw/zinc/43/42/86/387434286.db2.gz QVASNCSACFHHGO-UHFFFAOYSA-N 1 0 204.273 0.899 20 30 BCEDRO C=CCN(C(=O)CCOC1C[NH2+]C1)C1CC1 ZINC000423886857 387444219 /nfs/dbraw/zinc/44/42/19/387444219.db2.gz GDNOQZNOSOBOKJ-UHFFFAOYSA-N 1 0 224.304 0.542 20 30 BCEDRO C[C@@H]1CN(C(=O)NCC2(C#N)CC2)[C@H](C)C[NH2+]1 ZINC000515460763 387385425 /nfs/dbraw/zinc/38/54/25/387385425.db2.gz GCFJFTVKMGGRPB-NXEZZACHSA-N 1 0 236.319 0.682 20 30 BCEDRO COCCOC[C@@H](O)C[NH2+]CC(C)(C)CC#N ZINC000515637658 387404335 /nfs/dbraw/zinc/40/43/35/387404335.db2.gz BZSNUDRHMDNEOM-NSHDSACASA-N 1 0 244.335 0.540 20 30 BCEDRO C#CCN(CC)C(=O)C1CC[NH+](C)CC1 ZINC000266806866 387406160 /nfs/dbraw/zinc/40/61/60/387406160.db2.gz DWLVDWKVPVTIBT-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C=CCOCCCC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000269112364 387418874 /nfs/dbraw/zinc/41/88/74/387418874.db2.gz FWLQWCTZCIOXQN-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO CC#CCCN1CCN(C(C)C)C(=O)C1 ZINC000274162393 387496152 /nfs/dbraw/zinc/49/61/52/387496152.db2.gz LDIYUOQLTXZTQM-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C[C@]1(C(N)=O)CC[N@H+](CCCSCC#N)C1 ZINC000361566401 387497279 /nfs/dbraw/zinc/49/72/79/387497279.db2.gz RWRXETICQOBECT-NSHDSACASA-N 1 0 241.360 0.831 20 30 BCEDRO C=CCN(CC(F)(F)F)C(=O)[C@H]1C[C@H]1[NH3+] ZINC000424099750 387523497 /nfs/dbraw/zinc/52/34/97/387523497.db2.gz GNNNKDNNAGNACJ-NKWVEPMBSA-N 1 0 222.210 0.911 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCCO1 ZINC000424105616 387529768 /nfs/dbraw/zinc/52/97/68/387529768.db2.gz VRZAERWAHLYGQZ-MNOVXSKESA-N 1 0 239.319 0.693 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000424030218 387467965 /nfs/dbraw/zinc/46/79/65/387467965.db2.gz ZTSVEDSSUGUKGW-MNOVXSKESA-N 1 0 226.320 0.632 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2cncnc2)CC1 ZINC000274326094 387470995 /nfs/dbraw/zinc/47/09/95/387470995.db2.gz LPJFVRICQORBKV-UHFFFAOYSA-N 1 0 244.298 0.760 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CC[NH2+]C1 ZINC000424064531 387474852 /nfs/dbraw/zinc/47/48/52/387474852.db2.gz ZUJNEMLIICEFCC-AXFHLTTASA-N 1 0 224.304 0.446 20 30 BCEDRO C=CCCn1cc(C(=O)NCC[C@H](C)[NH3+])nn1 ZINC000424075263 387478322 /nfs/dbraw/zinc/47/83/22/387478322.db2.gz JCBOAARZLFAAQS-VIFPVBQESA-N 1 0 237.307 0.321 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]C ZINC000424074334 387478827 /nfs/dbraw/zinc/47/88/27/387478827.db2.gz GZSODPBFUNTOGV-ZJUUUORDSA-N 1 0 212.293 0.303 20 30 BCEDRO CCOCCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424080286 387479698 /nfs/dbraw/zinc/47/96/98/387479698.db2.gz SLXOTMWDKDKCHK-JTQLQIEISA-N 1 0 227.308 0.550 20 30 BCEDRO C=C1CC[NH+](C[C@@](C)(O)C(=O)OCC)CC1 ZINC000274594220 387482694 /nfs/dbraw/zinc/48/26/94/387482694.db2.gz KXABFTLGYDKDHX-GFCCVEGCSA-N 1 0 227.304 0.953 20 30 BCEDRO CSCCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424081906 387486659 /nfs/dbraw/zinc/48/66/59/387486659.db2.gz LBPDXSNSCZKVNJ-SECBINFHSA-N 1 0 229.349 0.877 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000274787760 387492042 /nfs/dbraw/zinc/49/20/42/387492042.db2.gz KTPPDXALUHXKTM-WDEREUQCSA-N 1 0 235.331 0.958 20 30 BCEDRO CC#CCC[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000361562164 387493407 /nfs/dbraw/zinc/49/34/07/387493407.db2.gz HYVBSLUTBFXCDJ-NEPJUHHUSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cccnn1 ZINC000327955519 387599260 /nfs/dbraw/zinc/59/92/60/387599260.db2.gz BBJFNRAAXMGVKF-UHFFFAOYSA-N 1 0 204.277 0.844 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2COCCN2)C1 ZINC000527533839 387625693 /nfs/dbraw/zinc/62/56/93/387625693.db2.gz WFJBPBMKYQCADW-GRYCIOLGSA-N 1 0 223.320 0.647 20 30 BCEDRO C=CCCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000279175012 387561610 /nfs/dbraw/zinc/56/16/10/387561610.db2.gz HQPMBRKWNHAWBN-PHIMTYICSA-N 1 0 208.305 0.973 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NCC#N)c1ccc(C#N)cc1 ZINC000037749596 387565051 /nfs/dbraw/zinc/56/50/51/387565051.db2.gz IBPSDEVZEJAODF-SNVBAGLBSA-N 1 0 242.282 0.849 20 30 BCEDRO C=CCOc1cccnc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000422748552 387654145 /nfs/dbraw/zinc/65/41/45/387654145.db2.gz VAJBVHYYJGYXHX-SNVBAGLBSA-N 1 0 247.298 0.738 20 30 BCEDRO C[C@@]1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCOC1 ZINC000424140537 387693252 /nfs/dbraw/zinc/69/32/52/387693252.db2.gz OITWAMYEALVSDT-JQWIXIFHSA-N 1 0 239.319 0.550 20 30 BCEDRO C[C@H](CNC(=O)[C@@]1(C#N)C[C@@H]1C)C[NH+](C)C ZINC000452010017 387698368 /nfs/dbraw/zinc/69/83/68/387698368.db2.gz VMWDRDQFXZDQBK-JFGNBEQYSA-N 1 0 223.320 0.850 20 30 BCEDRO CC[N@H+](CCCSCC#N)[C@H]1CCNC1=O ZINC000440971246 387719296 /nfs/dbraw/zinc/71/92/96/387719296.db2.gz XXBKFXGYURILKK-JTQLQIEISA-N 1 0 241.360 0.844 20 30 BCEDRO C=C(CC)C[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000452093551 387736293 /nfs/dbraw/zinc/73/62/93/387736293.db2.gz XXKXVJBPABTIFL-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000422904328 387767640 /nfs/dbraw/zinc/76/76/40/387767640.db2.gz GVSYEYHGDMFTBL-VIFPVBQESA-N 1 0 226.276 0.077 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@](C)(CCO)COC ZINC000150877971 387779509 /nfs/dbraw/zinc/77/95/09/387779509.db2.gz WFLDOTIXSZZKED-NWDGAFQWSA-N 1 0 231.336 0.691 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)CC[NH3+] ZINC000424151835 387793810 /nfs/dbraw/zinc/79/38/10/387793810.db2.gz IKQVHPUOLKCQMS-AXFHLTTASA-N 1 0 226.320 0.821 20 30 BCEDRO C=CCCn1cc(C(=O)NC[C@H]2CC[NH2+]C2)nn1 ZINC000424152750 387800685 /nfs/dbraw/zinc/80/06/85/387800685.db2.gz KERXJPLFCOEZHH-JTQLQIEISA-N 1 0 249.318 0.194 20 30 BCEDRO C[N@H+](CCCSCC#N)CC(C)(CO)CO ZINC000157492327 387806161 /nfs/dbraw/zinc/80/61/61/387806161.db2.gz AGEMYGVVOOYBQB-UHFFFAOYSA-N 1 0 246.376 0.556 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@]1(C)CCCO1 ZINC000328053823 387821889 /nfs/dbraw/zinc/82/18/89/387821889.db2.gz ZTUDWPKEHQSLLW-ZDUSSCGKSA-N 1 0 238.331 0.627 20 30 BCEDRO COC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000424158131 387833611 /nfs/dbraw/zinc/83/36/11/387833611.db2.gz SGNMUIBVIYXDRE-WDEREUQCSA-N 1 0 239.319 0.549 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000528053840 387838758 /nfs/dbraw/zinc/83/87/58/387838758.db2.gz YNHOHLQNBYRYQM-SNVBAGLBSA-N 1 0 244.360 0.767 20 30 BCEDRO C#CCN(C)CC(=O)NCc1ccccc1 ZINC000172579137 387873606 /nfs/dbraw/zinc/87/36/06/387873606.db2.gz SPAXOTHHYMENOO-UHFFFAOYSA-N 1 0 216.284 0.868 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]([NH3+])CC ZINC000424162279 387844553 /nfs/dbraw/zinc/84/45/53/387844553.db2.gz CNFXVPTUAZJCTA-AXFHLTTASA-N 1 0 226.320 0.821 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000442848967 387849381 /nfs/dbraw/zinc/84/93/81/387849381.db2.gz ZTJDMWCOZFPWKK-QWRGUYRKSA-N 1 0 237.303 0.127 20 30 BCEDRO N#CCNC(=O)C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433009535 387849694 /nfs/dbraw/zinc/84/96/94/387849694.db2.gz HVTQSPLQUUHHTF-JTQLQIEISA-N 1 0 237.303 0.006 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](CO)[C@H]2CCOC2)C1 ZINC000442861159 387852812 /nfs/dbraw/zinc/85/28/12/387852812.db2.gz DACCNFHRQXQLLF-VOAKCMCISA-N 1 0 238.331 0.913 20 30 BCEDRO C=CCn1cc(CN[C@H]2C[N@@H+](C)C[C@@H]2C)nn1 ZINC000424167504 387856969 /nfs/dbraw/zinc/85/69/69/387856969.db2.gz CMTTWKBKWIZKHO-JQWIXIFHSA-N 1 0 235.335 0.504 20 30 BCEDRO C=CCn1cc(CN[C@@H]2C[N@@H+](C)C[C@H]2C)nn1 ZINC000424167509 387857299 /nfs/dbraw/zinc/85/72/99/387857299.db2.gz CMTTWKBKWIZKHO-ZYHUDNBSSA-N 1 0 235.335 0.504 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ncncc1C#N ZINC000328115135 387876304 /nfs/dbraw/zinc/87/63/04/387876304.db2.gz PABXXGWLBICVLA-UHFFFAOYSA-N 1 0 229.287 0.715 20 30 BCEDRO CNC(NC[C@@H]1CC1(Cl)Cl)=[NH+]C ZINC000306365002 387914798 /nfs/dbraw/zinc/91/47/98/387914798.db2.gz GMIGJRWOHDKABR-YFKPBYRVSA-N 1 0 210.108 0.975 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](CCO)C1CCOCC1 ZINC000444777297 387930609 /nfs/dbraw/zinc/93/06/09/387930609.db2.gz ONKNJCGLIWRSLY-CYBMUJFWSA-N 1 0 243.347 0.787 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C1([NH3+])CC1 ZINC000424214755 387932710 /nfs/dbraw/zinc/93/27/10/387932710.db2.gz YGGZWACGDOLUBF-IUCAKERBSA-N 1 0 210.277 0.185 20 30 BCEDRO C=C(C)CC[NH2+][C@@H]1CCN[C@H]1C(=O)OCC ZINC000423154900 387935304 /nfs/dbraw/zinc/93/53/04/387935304.db2.gz PNVLWZYDKIQATJ-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000424218367 387935391 /nfs/dbraw/zinc/93/53/91/387935391.db2.gz SRXPGDULGMLNLS-GARJFASQSA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000424217858 387935600 /nfs/dbraw/zinc/93/56/00/387935600.db2.gz OPOGKTXMISQDKZ-HBNTYKKESA-N 1 0 221.304 0.937 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000424217694 387935765 /nfs/dbraw/zinc/93/57/65/387935765.db2.gz NHSMLHPLNUQQIC-AXFHLTTASA-N 1 0 221.304 0.937 20 30 BCEDRO C=CCOCCCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178752283 387926164 /nfs/dbraw/zinc/92/61/64/387926164.db2.gz BLZXDZISJVXRIR-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]1 ZINC000424203513 387928513 /nfs/dbraw/zinc/92/85/13/387928513.db2.gz CBNPBNQSHFOLNV-AXFHLTTASA-N 1 0 224.304 0.446 20 30 BCEDRO N#Cc1ccc(OCC(=O)NCC[NH3+])cc1 ZINC000309637699 387953947 /nfs/dbraw/zinc/95/39/47/387953947.db2.gz TUFJQBGBYLILGX-UHFFFAOYSA-N 1 0 219.244 0.012 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H](C)[C@@H]2CCOC2)nn1 ZINC000424293098 387954650 /nfs/dbraw/zinc/95/46/50/387954650.db2.gz HZMPTYFIGLVLET-WDEREUQCSA-N 1 0 236.319 0.979 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H]2CCOC[C@@H]2C)nn1 ZINC000424296399 387955864 /nfs/dbraw/zinc/95/58/64/387955864.db2.gz OIOUENBBJNGVLJ-JQWIXIFHSA-N 1 0 236.319 0.979 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245399101 387943885 /nfs/dbraw/zinc/94/38/85/387943885.db2.gz VPRWQAASCFWZMD-QWHCGFSZSA-N 1 0 249.358 0.294 20 30 BCEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC000045136904 387965161 /nfs/dbraw/zinc/96/51/61/387965161.db2.gz CWWVZYOWXCXJLS-QWRGUYRKSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CCn1cc(CN[C@H]2CCC[C@H]2C[NH3+])nn1 ZINC000424368836 387994622 /nfs/dbraw/zinc/99/46/22/387994622.db2.gz BWOMFEJVQUOGLQ-JQWIXIFHSA-N 1 0 235.335 0.681 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245809754 387984859 /nfs/dbraw/zinc/98/48/59/387984859.db2.gz OINQZJGJCUZITA-NWDGAFQWSA-N 1 0 239.363 0.703 20 30 BCEDRO Cc1n[nH]cc1C[NH+]=C(N(C)C)N(C)C ZINC000261980814 135113526 /nfs/dbraw/zinc/11/35/26/135113526.db2.gz HZBFRXZYPRJAKN-UHFFFAOYSA-N 1 0 209.297 0.697 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[NH2+]CC ZINC000424478274 388034240 /nfs/dbraw/zinc/03/42/40/388034240.db2.gz MZOWYAZZZLPOGJ-QWRGUYRKSA-N 1 0 241.335 0.486 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000440335085 388038056 /nfs/dbraw/zinc/03/80/56/388038056.db2.gz FNEYZLJODROUPZ-MNOVXSKESA-N 1 0 246.376 0.870 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H](CC)Cn1cncn1 ZINC000453360783 388057926 /nfs/dbraw/zinc/05/79/26/388057926.db2.gz PTHYRHFRRMITQZ-NWDGAFQWSA-N 1 0 238.335 0.973 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2COCCO2)C1 ZINC000336658047 388071855 /nfs/dbraw/zinc/07/18/55/388071855.db2.gz BCTRIUVGTATJKV-MXWKQRLJSA-N 1 0 210.277 0.684 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C(F)F)C1 ZINC000336660256 388089449 /nfs/dbraw/zinc/08/94/49/388089449.db2.gz RMBYETAIVIEPBH-GJMOJQLCSA-N 1 0 204.220 0.894 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000453322901 388046605 /nfs/dbraw/zinc/04/66/05/388046605.db2.gz AGJXBMTUNPRDIK-KKOKHZNYSA-N 1 0 210.321 0.870 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000453322902 388046804 /nfs/dbraw/zinc/04/68/04/388046804.db2.gz AGJXBMTUNPRDIK-QCNOEVLYSA-N 1 0 210.321 0.870 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccnc(OC)n1 ZINC000449198921 388157152 /nfs/dbraw/zinc/15/71/52/388157152.db2.gz AMQAMKREORNHAE-SNVBAGLBSA-N 1 0 237.303 0.759 20 30 BCEDRO CC[C@@H](CC#N)[NH2+][C@H](C)COCC(=O)OC ZINC000449243103 388161981 /nfs/dbraw/zinc/16/19/81/388161981.db2.gz IFUHNXAGLHXGRF-ZJUUUORDSA-N 1 0 228.292 0.846 20 30 BCEDRO CC(=O)NCCCNC(=[NH2+])Nc1ccccc1 ZINC000195522297 388166833 /nfs/dbraw/zinc/16/68/33/388166833.db2.gz SECNWWQZCBROGH-UHFFFAOYSA-N 1 0 234.303 0.939 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000456140582 388180724 /nfs/dbraw/zinc/18/07/24/388180724.db2.gz BMPROCYLIMBNQZ-QCNOEVLYSA-N 1 0 238.331 0.644 20 30 BCEDRO CC#CCN1CCOC2(CC[NH+](C)CC2)C1 ZINC000646104193 388143307 /nfs/dbraw/zinc/14/33/07/388143307.db2.gz AOIINZPNBHZWGM-UHFFFAOYSA-N 1 0 222.332 0.806 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000449669097 388251262 /nfs/dbraw/zinc/25/12/62/388251262.db2.gz XMQPVHCGNBSWIL-MRVPVSSYSA-N 1 0 234.246 0.302 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@]1(C)CO ZINC000490740410 388252227 /nfs/dbraw/zinc/25/22/27/388252227.db2.gz LETOEIRLCDHEDA-GMXVVIOVSA-N 1 0 238.331 0.265 20 30 BCEDRO C#CCN(CC#CC)C(=O)C1CC[NH+](C)CC1 ZINC000490779475 388253841 /nfs/dbraw/zinc/25/38/41/388253841.db2.gz WWQGKXLLOQEZAW-UHFFFAOYSA-N 1 0 232.327 0.813 20 30 BCEDRO C#CCN(CC)Cc1c([N+](=O)[O-])ncn1C ZINC000490780720 388253975 /nfs/dbraw/zinc/25/39/75/388253975.db2.gz QCUYZSMXEUOGBP-UHFFFAOYSA-N 1 0 222.248 0.783 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@@H](C)C2)CC1 ZINC000490852137 388256651 /nfs/dbraw/zinc/25/66/51/388256651.db2.gz LRKPYIQLOPKOCE-CYBMUJFWSA-N 1 0 249.358 0.106 20 30 BCEDRO C#CCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000490852054 388256763 /nfs/dbraw/zinc/25/67/63/388256763.db2.gz KNTQVQFRBKSNLS-VXGBXAGGSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC(C)(C)OC ZINC000490850982 388256864 /nfs/dbraw/zinc/25/68/64/388256864.db2.gz DCMPVRBQYJYBBE-SNVBAGLBSA-N 1 0 226.320 0.481 20 30 BCEDRO C#CCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000490852051 388256891 /nfs/dbraw/zinc/25/68/91/388256891.db2.gz KNTQVQFRBKSNLS-NEPJUHHUSA-N 1 0 237.347 0.991 20 30 BCEDRO C=CCCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000489096768 388204082 /nfs/dbraw/zinc/20/40/82/388204082.db2.gz CLVCQPYISXEONB-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000646315917 388210748 /nfs/dbraw/zinc/21/07/48/388210748.db2.gz SYUVLRGXCSTCGP-ZDUSSCGKSA-N 1 0 238.331 0.791 20 30 BCEDRO CC#CCN(CCOC)Cc1ccnn1C ZINC000489863730 388225658 /nfs/dbraw/zinc/22/56/58/388225658.db2.gz RWMMOJAWGWTAIZ-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000490039856 388231092 /nfs/dbraw/zinc/23/10/92/388231092.db2.gz VXSRGSCYDZFKAZ-SNVBAGLBSA-N 1 0 234.365 0.680 20 30 BCEDRO C#CC[N@@H+](CC)[C@@H](C)CN1CCOCC1 ZINC000490924217 388260391 /nfs/dbraw/zinc/26/03/91/388260391.db2.gz OGAFPZJQBNOSAW-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCN(CC#CC)CC(=O)N(CC)CCC#N ZINC000490697887 388248150 /nfs/dbraw/zinc/24/81/50/388248150.db2.gz LVWRVTZLTBJYOD-UHFFFAOYSA-N 1 0 245.326 0.707 20 30 BCEDRO C#CCNC(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000491265007 388281159 /nfs/dbraw/zinc/28/11/59/388281159.db2.gz JDQQGLQJLPBURS-SNVBAGLBSA-N 1 0 211.309 0.634 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000491267528 388281292 /nfs/dbraw/zinc/28/12/92/388281292.db2.gz UFGZWRBCWRNEDF-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C#C[C@H]1COCCN1C[C@@H]1CCCCO1 ZINC000491296454 388283431 /nfs/dbraw/zinc/28/34/31/388283431.db2.gz MDAMITGNNXSRRB-RYUDHWBXSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CCN(CCCS(C)(=O)=O)C1CC1 ZINC000491314193 388284612 /nfs/dbraw/zinc/28/46/12/388284612.db2.gz DQMHKMVSSXWQGT-UHFFFAOYSA-N 1 0 215.318 0.519 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)C(C)C ZINC000491326685 388285518 /nfs/dbraw/zinc/28/55/18/388285518.db2.gz PHQCUXIQLBMEHS-RWMBFGLXSA-N 1 0 249.358 0.990 20 30 BCEDRO C#CC[N@@H+](C[C@H]1CCCNC1=O)C1CC1 ZINC000491338108 388286060 /nfs/dbraw/zinc/28/60/60/388286060.db2.gz GEKXIOBFFKJMDQ-SNVBAGLBSA-N 1 0 206.289 0.610 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H]([NH3+])C1CC1)C(C)C ZINC000491338865 388286384 /nfs/dbraw/zinc/28/63/84/388286384.db2.gz LYRCMXHTJCKMJI-QWRGUYRKSA-N 1 0 223.320 0.681 20 30 BCEDRO C#C[C@H](NC(=O)N(C)CC[NH2+]C)C(C)C ZINC000491338553 388286429 /nfs/dbraw/zinc/28/64/29/388286429.db2.gz JMXHBCVWLLFDTQ-JTQLQIEISA-N 1 0 211.309 0.505 20 30 BCEDRO C#CCN(C(=O)NC[C@@H](C)C[NH3+])C1CC1 ZINC000491337660 388286537 /nfs/dbraw/zinc/28/65/37/388286537.db2.gz BROYKYXLWRJFMQ-VIFPVBQESA-N 1 0 209.293 0.388 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000491361060 388287920 /nfs/dbraw/zinc/28/79/20/388287920.db2.gz IQXMDCZMIOXIQD-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO CC#CCN1C[C@@H](C)[N@@H+](CCO)[C@@H](C)C1 ZINC000451653163 388288098 /nfs/dbraw/zinc/28/80/98/388288098.db2.gz LUADPYPMLVQMAF-TXEJJXNPSA-N 1 0 210.321 0.397 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCCC ZINC000451676672 388289297 /nfs/dbraw/zinc/28/92/97/388289297.db2.gz FQURTOSSAXRNBV-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)COCC ZINC000451672402 388289317 /nfs/dbraw/zinc/28/93/17/388289317.db2.gz IABNMJJBFPZTIP-UTUOFQBUSA-N 1 0 229.320 0.707 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CC1(C)C ZINC000491382669 388290082 /nfs/dbraw/zinc/29/00/82/388290082.db2.gz JIFCFCGLUPOHIJ-SNVBAGLBSA-N 1 0 208.305 0.762 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000491396758 388291755 /nfs/dbraw/zinc/29/17/55/388291755.db2.gz ZTXOMGCLSYOMCO-WDEREUQCSA-N 1 0 221.304 0.390 20 30 BCEDRO C#C[C@@H]1COCCN1CCc1ccncc1 ZINC000491396673 388291887 /nfs/dbraw/zinc/29/18/87/388291887.db2.gz ZHWMBPNPVNKJPK-CYBMUJFWSA-N 1 0 216.284 0.958 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)C1=CC[N@H+](C)CC1 ZINC000491419417 388293271 /nfs/dbraw/zinc/29/32/71/388293271.db2.gz URIVREIWSDGSHN-GFCCVEGCSA-N 1 0 249.358 0.366 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NCC[C@H](C)F ZINC000491428126 388294060 /nfs/dbraw/zinc/29/40/60/388294060.db2.gz NHILXJDAPAMFFF-NSHDSACASA-N 1 0 243.326 0.989 20 30 BCEDRO C#CCN(C(=O)NCC1([NH3+])CCC1)C1CC1 ZINC000491429284 388294331 /nfs/dbraw/zinc/29/43/31/388294331.db2.gz TXVXDMCJCYTFMT-UHFFFAOYSA-N 1 0 221.304 0.675 20 30 BCEDRO C#CC[N@@H+](CCCC(=O)N(C)C)C1CC1 ZINC000491452756 388295752 /nfs/dbraw/zinc/29/57/52/388295752.db2.gz NEAWMUOXZKWECT-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1 ZINC000491453912 388295938 /nfs/dbraw/zinc/29/59/38/388295938.db2.gz UKTSRKWHLIAQOL-RYUDHWBXSA-N 1 0 235.283 0.010 20 30 BCEDRO C#CCNC(=O)[C@]12C[NH2+]C[C@@H]1CCCC2 ZINC000491463507 388296059 /nfs/dbraw/zinc/29/60/59/388296059.db2.gz NMMCROGBADTMSC-CMPLNLGQSA-N 1 0 206.289 0.516 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1ccccc1F ZINC000491473574 388297342 /nfs/dbraw/zinc/29/73/42/388297342.db2.gz FPLXSSGPLYUTEH-BXKDBHETSA-N 1 0 223.247 0.443 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000491474089 388297431 /nfs/dbraw/zinc/29/74/31/388297431.db2.gz JXQKAIBJFPCQTR-WDEREUQCSA-N 1 0 223.320 0.825 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1ccccc1F ZINC000491473576 388297440 /nfs/dbraw/zinc/29/74/40/388297440.db2.gz FPLXSSGPLYUTEH-JOYOIKCWSA-N 1 0 223.247 0.443 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCN(C)[C@H](C)CC ZINC000491475318 388297690 /nfs/dbraw/zinc/29/76/90/388297690.db2.gz VSEYBVTZXAQLQJ-GFCCVEGCSA-N 1 0 239.363 0.446 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H]2COCC2(C)C)C1=O ZINC000451814321 388298230 /nfs/dbraw/zinc/29/82/30/388298230.db2.gz SYHWKEYPZAJIFP-MNOVXSKESA-N 1 0 238.331 0.788 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@H](O)CO[C@@H](C)COC ZINC000491484529 388298258 /nfs/dbraw/zinc/29/82/58/388298258.db2.gz JAWWCVCMBLHHGU-SRVKXCTJSA-N 1 0 229.320 0.352 20 30 BCEDRO C#CCNC(=O)CCN1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000491517259 388300899 /nfs/dbraw/zinc/30/08/99/388300899.db2.gz YAXWXSFHWWKUTL-QWHCGFSZSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=S)NCCC ZINC000491537871 388302610 /nfs/dbraw/zinc/30/26/10/388302610.db2.gz UOEGMQKDTFOWRL-UHFFFAOYSA-N 1 0 227.377 0.816 20 30 BCEDRO C#CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000491545838 388303061 /nfs/dbraw/zinc/30/30/61/388303061.db2.gz SLICBMXHHADHPO-UHFFFAOYSA-N 1 0 234.303 0.150 20 30 BCEDRO C#CC[N@@H+](CC#CC)C[C@@H]1CCNC(=O)CC1 ZINC000491555560 388303530 /nfs/dbraw/zinc/30/35/30/388303530.db2.gz RQMKQAGRUGXZBT-ZDUSSCGKSA-N 1 0 232.327 0.861 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](C)S(C)(=O)=O)C(C)C ZINC000491556075 388303620 /nfs/dbraw/zinc/30/36/20/388303620.db2.gz VXQZXPRXOWJHDO-NXEZZACHSA-N 1 0 217.334 0.667 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)C(C)C ZINC000491556078 388303637 /nfs/dbraw/zinc/30/36/37/388303637.db2.gz VXQZXPRXOWJHDO-ZJUUUORDSA-N 1 0 217.334 0.667 20 30 BCEDRO C#C[C@@H](C)[N@@H+](C)C[C@@](C)(O)C(=O)OCC ZINC000491624576 388304682 /nfs/dbraw/zinc/30/46/82/388304682.db2.gz IECHNCXEZFOKTG-MWLCHTKSSA-N 1 0 213.277 0.254 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)C=C ZINC000491619835 388305362 /nfs/dbraw/zinc/30/53/62/388305362.db2.gz MTOUGDKQTLDLPT-UHFFFAOYSA-N 1 0 208.305 0.928 20 30 BCEDRO C#CCN1CCCC[C@@H]1CS(C)(=O)=O ZINC000491628069 388306053 /nfs/dbraw/zinc/30/60/53/388306053.db2.gz KLJFECSUJYPDNW-SNVBAGLBSA-N 1 0 215.318 0.519 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000491631919 388306676 /nfs/dbraw/zinc/30/66/76/388306676.db2.gz QLHBHFOTGAUXNX-VIFPVBQESA-N 1 0 237.303 0.270 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000491635714 388306982 /nfs/dbraw/zinc/30/69/82/388306982.db2.gz SCVWAZWMKTVMFN-SRVKXCTJSA-N 1 0 237.347 0.941 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)C[C@@H](C)CO ZINC000491634909 388307092 /nfs/dbraw/zinc/30/70/92/388307092.db2.gz SXQXVCRTBQENGP-VXGBXAGGSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CCN(C(=O)[C@H]1CC[N@@H+](C)C1)C1CC1 ZINC000491636712 388307262 /nfs/dbraw/zinc/30/72/62/388307262.db2.gz TZYZCCMLMPSYSQ-JTQLQIEISA-N 1 0 206.289 0.562 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCc1cnn(C)c1 ZINC000491653208 388308112 /nfs/dbraw/zinc/30/81/12/388308112.db2.gz CGJVZYJFNKBFEE-UHFFFAOYSA-N 1 0 248.330 0.082 20 30 BCEDRO C#CCN(C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000491653910 388308322 /nfs/dbraw/zinc/30/83/22/388308322.db2.gz DUCKEKZNATXMNZ-LBPRGKRZSA-N 1 0 239.319 0.030 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC1CC[NH+](C)CC1 ZINC000491656444 388308446 /nfs/dbraw/zinc/30/84/46/388308446.db2.gz SNNXGYHRWZOJAK-JTQLQIEISA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCN(CC#C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000490778554 256596322 /nfs/dbraw/zinc/59/63/22/256596322.db2.gz HFNUBTMJLITTSY-CHWSQXEVSA-N 1 0 232.327 0.954 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCn1cccc1 ZINC000491658017 388308749 /nfs/dbraw/zinc/30/87/49/388308749.db2.gz ANCOQRXKQCOTAK-UHFFFAOYSA-N 1 0 219.288 0.217 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)C[C@@H](C)O ZINC000491674227 388310057 /nfs/dbraw/zinc/31/00/57/388310057.db2.gz RNQKLPNZRHAVOA-LLVKDONJSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CCN(C(=O)N[C@@H](C)CC[NH3+])C1CC1 ZINC000491679612 388310593 /nfs/dbraw/zinc/31/05/93/388310593.db2.gz XOWXEDLLKUNGAV-VIFPVBQESA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOCCCC ZINC000491693021 388311359 /nfs/dbraw/zinc/31/13/59/388311359.db2.gz CIEPNEFTKBMXCO-UHFFFAOYSA-N 1 0 226.320 0.532 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H]1C(C)C ZINC000491702996 388312777 /nfs/dbraw/zinc/31/27/77/388312777.db2.gz IYWRPTZDCBQFNT-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000491704714 388313187 /nfs/dbraw/zinc/31/31/87/388313187.db2.gz PGELQIPFXSJIOJ-ZJUUUORDSA-N 1 0 209.293 0.259 20 30 BCEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](O)COCC(C)C ZINC000491705742 388313368 /nfs/dbraw/zinc/31/33/68/388313368.db2.gz ZTASNWKOGOITHO-NEPJUHHUSA-N 1 0 213.321 0.973 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](CC)OC ZINC000491705585 388313463 /nfs/dbraw/zinc/31/34/63/388313463.db2.gz VUPKDIXZUVXASG-JTQLQIEISA-N 1 0 212.293 0.141 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OCc2cc[nH]n2)CC1 ZINC000491706190 388313478 /nfs/dbraw/zinc/31/34/78/388313478.db2.gz QSRWQDJSKJWIEJ-UHFFFAOYSA-N 1 0 247.298 0.798 20 30 BCEDRO C#CCNC(=O)CC[NH+]1[C@H](C)CC[C@H]1C ZINC000491718865 388314463 /nfs/dbraw/zinc/31/44/63/388314463.db2.gz WSDCNWJFJUQVGO-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)C1CCCC1 ZINC000491717938 388314665 /nfs/dbraw/zinc/31/46/65/388314665.db2.gz SCAQOMMGXDNONK-LBPRGKRZSA-N 1 0 238.331 0.267 20 30 BCEDRO C#C[C@@H](CO)[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000491728592 388315267 /nfs/dbraw/zinc/31/52/67/388315267.db2.gz HNUQQLQHRUMHEP-NSHDSACASA-N 1 0 247.298 0.302 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@H](C)CC[NH3+])C(C)C ZINC000491728852 388315304 /nfs/dbraw/zinc/31/53/04/388315304.db2.gz DMDLHWZAPPUXHP-NXEZZACHSA-N 1 0 211.309 0.681 20 30 BCEDRO C#CCN(C(=O)N[C@@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000491730724 388315536 /nfs/dbraw/zinc/31/55/36/388315536.db2.gz DVPOYNODDZZFPX-BDAKNGLRSA-N 1 0 209.293 0.529 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000491735404 388316064 /nfs/dbraw/zinc/31/60/64/388316064.db2.gz UCDNTMPYXSICJM-RYUDHWBXSA-N 1 0 223.247 0.443 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)CO[C@H](C)COC ZINC000491741135 388316857 /nfs/dbraw/zinc/31/68/57/388316857.db2.gz YUXOBIBAFPEXOS-VXGBXAGGSA-N 1 0 229.320 0.354 20 30 BCEDRO C#C[C@H](CC)NC(=O)NCCOCC[NH+](C)C ZINC000491742593 388317108 /nfs/dbraw/zinc/31/71/08/388317108.db2.gz VOHIBBGKJYVHKJ-LLVKDONJSA-N 1 0 241.335 0.276 20 30 BCEDRO C#CC(C)(C)N(C)C[C@@H](O)C[N@@H+](C)CC ZINC000491751078 388317749 /nfs/dbraw/zinc/31/77/49/388317749.db2.gz JQLFUDNPJVEILF-NSHDSACASA-N 1 0 212.337 0.643 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000491764127 388318851 /nfs/dbraw/zinc/31/88/51/388318851.db2.gz CUIVTZHQAXTYIH-GARJFASQSA-N 1 0 223.320 0.648 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@@H](C)C1 ZINC000491770981 388318972 /nfs/dbraw/zinc/31/89/72/388318972.db2.gz NOPJQTVAWYPAJG-JHJVBQTASA-N 1 0 249.358 0.991 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@@H](C)C1 ZINC000491770978 388319199 /nfs/dbraw/zinc/31/91/99/388319199.db2.gz NOPJQTVAWYPAJG-FRRDWIJNSA-N 1 0 249.358 0.991 20 30 BCEDRO C#CCN(C(=O)NC[C@H](C)C[NH2+]C)C1CC1 ZINC000491775155 388319587 /nfs/dbraw/zinc/31/95/87/388319587.db2.gz DLYQKJHIQSTDLE-SNVBAGLBSA-N 1 0 223.320 0.649 20 30 BCEDRO C#CC[N@H+]1CC[C@](C(N)=O)(c2ccccc2)C1 ZINC000491776529 388319796 /nfs/dbraw/zinc/31/97/96/388319796.db2.gz WEZDMKWKIRXBRW-CQSZACIVSA-N 1 0 228.295 0.749 20 30 BCEDRO C#C[C@H]1COCCN1CC[C@@H]1CCOC1=O ZINC000491785422 388320831 /nfs/dbraw/zinc/32/08/31/388320831.db2.gz NJJCERKPAIDZDR-MNOVXSKESA-N 1 0 223.272 0.274 20 30 BCEDRO C#C[C@@H]1COCCN1CC[C@@H]1CCOC1=O ZINC000491785419 388320845 /nfs/dbraw/zinc/32/08/45/388320845.db2.gz NJJCERKPAIDZDR-GHMZBOCLSA-N 1 0 223.272 0.274 20 30 BCEDRO C#CCN(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000491804010 388321676 /nfs/dbraw/zinc/32/16/76/388321676.db2.gz KDPAYRIWQHXOTC-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000491805107 388321918 /nfs/dbraw/zinc/32/19/18/388321918.db2.gz ODAWDCVXKMVKQT-RYUDHWBXSA-N 1 0 239.702 0.957 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@@H](C)C[NH3+])C(C)C ZINC000491819183 388323721 /nfs/dbraw/zinc/32/37/21/388323721.db2.gz MZTXPOBRFBLECS-VHSXEESVSA-N 1 0 211.309 0.538 20 30 BCEDRO C#CCNC(=O)[C@H](C[NH3+])c1ccc(F)cc1 ZINC000491819349 388323730 /nfs/dbraw/zinc/32/37/30/388323730.db2.gz NJWMRMFHGLYRHI-LLVKDONJSA-N 1 0 220.247 0.617 20 30 BCEDRO C#CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000491820916 388323763 /nfs/dbraw/zinc/32/37/63/388323763.db2.gz ZBOUIEOWJUTTEN-NSHDSACASA-N 1 0 209.293 0.309 20 30 BCEDRO C#CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000491820915 388323793 /nfs/dbraw/zinc/32/37/93/388323793.db2.gz ZBOUIEOWJUTTEN-LLVKDONJSA-N 1 0 209.293 0.309 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)N1CCC(C#N)CC1 ZINC000491864493 388325149 /nfs/dbraw/zinc/32/51/49/388325149.db2.gz FWZBFQRLKDKWNH-ONEGZZNKSA-N 1 0 221.304 0.866 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)/C=C\C[NH+](C)C ZINC000491865800 388325295 /nfs/dbraw/zinc/32/52/95/388325295.db2.gz IJMSGHUMFNCOGY-WWQCOOJYSA-N 1 0 209.293 0.865 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000646336202 388262092 /nfs/dbraw/zinc/26/20/92/388262092.db2.gz KWWKWKXNAYYGGW-QWRGUYRKSA-N 1 0 224.304 0.399 20 30 BCEDRO C#CCN(CC#N)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000491013499 388265092 /nfs/dbraw/zinc/26/50/92/388265092.db2.gz JSZPCJJPSZSEEC-VXGBXAGGSA-N 1 0 233.315 0.845 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@](C)(F)C1 ZINC000491069838 388268160 /nfs/dbraw/zinc/26/81/60/388268160.db2.gz YWTBMNHHLOVNEP-NSHDSACASA-N 1 0 212.268 0.560 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CCOCC)CC1 ZINC000491099622 388269263 /nfs/dbraw/zinc/26/92/63/388269263.db2.gz BTRQJMAZDRKGAR-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000491120172 388271245 /nfs/dbraw/zinc/27/12/45/388271245.db2.gz LNQODXAEYUFGLQ-VXGBXAGGSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](C)O[C@@H](CC)C1 ZINC000491120790 388271366 /nfs/dbraw/zinc/27/13/66/388271366.db2.gz NTVHCEJJMRSCAR-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000491154474 388273186 /nfs/dbraw/zinc/27/31/86/388273186.db2.gz JQRFINONOISXIK-VXGBXAGGSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCNC(=O)C1CCN(Cc2c[nH]cn2)CC1 ZINC000491154594 388273508 /nfs/dbraw/zinc/27/35/08/388273508.db2.gz KKEDPYLZTFVLDF-UHFFFAOYSA-N 1 0 246.314 0.371 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCOC[C@@]1(C)CC ZINC000491201809 388276302 /nfs/dbraw/zinc/27/63/02/388276302.db2.gz JWSAVJATRWHWFB-CYBMUJFWSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000491200583 388276344 /nfs/dbraw/zinc/27/63/44/388276344.db2.gz BFJIQQJEBIUDFJ-AAEUAGOBSA-N 1 0 238.331 0.267 20 30 BCEDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1(C)C ZINC000451504416 388278180 /nfs/dbraw/zinc/27/81/80/388278180.db2.gz SDRHTBWJLIXOBL-INTQDDNPSA-N 1 0 239.319 0.275 20 30 BCEDRO C#CC[N@H+](CCCN1CCOCC1)C1CC1 ZINC000491231474 388278761 /nfs/dbraw/zinc/27/87/61/388278761.db2.gz UCPBOCIFWQGUHW-UHFFFAOYSA-N 1 0 222.332 0.806 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)Cc1cncn1C ZINC000491231144 388278780 /nfs/dbraw/zinc/27/87/80/388278780.db2.gz QSDDZXKVIPFNAD-UHFFFAOYSA-N 1 0 248.330 0.034 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000272321551 388404008 /nfs/dbraw/zinc/40/40/08/388404008.db2.gz KLOYSZJHUIIJBH-UHFFFAOYSA-N 1 0 218.260 0.272 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000646369701 388346633 /nfs/dbraw/zinc/34/66/33/388346633.db2.gz KUVHCEANRWUHJB-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCN(C)C(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000646405253 388350806 /nfs/dbraw/zinc/35/08/06/388350806.db2.gz YGTHRPVWOCIETI-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO CC#CCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC000234731197 388358738 /nfs/dbraw/zinc/35/87/38/388358738.db2.gz GWXKGJPSVATQKR-RYUDHWBXSA-N 1 0 229.320 0.402 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2ccc(C#N)c(O)c2)C1 ZINC000442669702 388360194 /nfs/dbraw/zinc/36/01/94/388360194.db2.gz CYDIXDQMVZFQLM-UHFFFAOYSA-N 1 0 245.282 0.650 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1ccc(C#N)nc1 ZINC000132972390 388373938 /nfs/dbraw/zinc/37/39/38/388373938.db2.gz YZVJLECQWCCZJK-GFCCVEGCSA-N 1 0 234.303 0.678 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccn1C ZINC000164199618 388376297 /nfs/dbraw/zinc/37/62/97/388376297.db2.gz IBTVBQZIWLELGG-UHFFFAOYSA-N 1 0 219.288 0.254 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@H]1C[NH2+]C ZINC000237278171 388392529 /nfs/dbraw/zinc/39/25/29/388392529.db2.gz PFFJMYJGURVOGH-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccnnc1 ZINC000294000298 388393410 /nfs/dbraw/zinc/39/34/10/388393410.db2.gz OSEONROZSDXQRL-UHFFFAOYSA-N 1 0 232.287 0.162 20 30 BCEDRO C=CCN1CCC([NH2+]C[C@@H](O)CC)CC1 ZINC000572952750 388397590 /nfs/dbraw/zinc/39/75/90/388397590.db2.gz HKKUXLCIRUWBQZ-LBPRGKRZSA-N 1 0 212.337 0.997 20 30 BCEDRO CCN(CCC#N)C(=O)/C=C\C[NH+](C)C ZINC000492220747 388337616 /nfs/dbraw/zinc/33/76/16/388337616.db2.gz FLTSNDWCXZKDEY-ALCCZGGFSA-N 1 0 209.293 0.866 20 30 BCEDRO C=C(C)COCC[NH2+][C@@H]1CCN(CCOC)C1 ZINC000336901419 388441638 /nfs/dbraw/zinc/44/16/38/388441638.db2.gz SQYIUGMUXZOSTH-CYBMUJFWSA-N 1 0 242.363 0.889 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000193815203 388459694 /nfs/dbraw/zinc/45/96/94/388459694.db2.gz VCKSBEJDCRLFCE-LLVKDONJSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000339082421 388477228 /nfs/dbraw/zinc/47/72/28/388477228.db2.gz FHVDRUMKJXCLRA-QJPTWQEYSA-N 1 0 211.305 0.892 20 30 BCEDRO C=CCOCC[NH2+][C@](C)(CCO)COC ZINC000339014591 388477814 /nfs/dbraw/zinc/47/78/14/388477814.db2.gz DRFOSGSDEVCJJS-LLVKDONJSA-N 1 0 217.309 0.566 20 30 BCEDRO C[C@@H]1CC[N@H+](CCNC(=O)C(C)(C)C#N)C1 ZINC000524775952 388409079 /nfs/dbraw/zinc/40/90/79/388409079.db2.gz DTWMCBHYYVHTLL-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)C2CC2)CC1 ZINC000040221782 388413334 /nfs/dbraw/zinc/41/33/34/388413334.db2.gz LKQYCLCVGMEEOI-UHFFFAOYSA-N 1 0 207.277 0.501 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000646697773 388418936 /nfs/dbraw/zinc/41/89/36/388418936.db2.gz FRRAQILRMTXNOC-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCOCCN1C[C@@H](C)O[C@@H](CO)C1 ZINC000339119570 388479752 /nfs/dbraw/zinc/47/97/52/388479752.db2.gz SQISAVHJNDUQLV-GHMZBOCLSA-N 1 0 215.293 0.271 20 30 BCEDRO C[C@@]1(O)CCC[N@H+](CCOCCC#N)C1 ZINC000339060369 388479987 /nfs/dbraw/zinc/47/99/87/388479987.db2.gz QWRSFGKQFPMJPC-LLVKDONJSA-N 1 0 212.293 0.763 20 30 BCEDRO COC[C@@H]1CC[N@@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528511420 388538144 /nfs/dbraw/zinc/53/81/44/388538144.db2.gz IDCKDNXALCLTQC-QWRGUYRKSA-N 1 0 224.304 0.762 20 30 BCEDRO C[C@@]1(C#N)CCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528560962 388547074 /nfs/dbraw/zinc/54/70/74/388547074.db2.gz PNYZWPQPLYIXRV-NEPJUHHUSA-N 1 0 238.331 0.888 20 30 BCEDRO N#C[C@H]1CCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528561315 388547464 /nfs/dbraw/zinc/54/74/64/388547464.db2.gz QHDACGANFBTCPS-MNOVXSKESA-N 1 0 224.304 0.498 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000646761640 388485065 /nfs/dbraw/zinc/48/50/65/388485065.db2.gz TYXBJUMYDRNXAF-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000516861591 388521452 /nfs/dbraw/zinc/52/14/52/388521452.db2.gz GJTANMFXSYWPKM-NOHGZBONSA-N 1 0 236.315 0.446 20 30 BCEDRO C#CCNC(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000079264342 388529437 /nfs/dbraw/zinc/52/94/37/388529437.db2.gz ZHUMNUJQJOFEBZ-NSHDSACASA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCOCC1CC1 ZINC000088600309 388533283 /nfs/dbraw/zinc/53/32/83/388533283.db2.gz NYAMRDGLBQQMFI-LLVKDONJSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+](C)CCN1CCOCC1 ZINC000649283985 388533370 /nfs/dbraw/zinc/53/33/70/388533370.db2.gz RCCMSXUTSJGWJR-GFCCVEGCSA-N 1 0 228.336 0.187 20 30 BCEDRO CC[NH2+]CCNC(=O)c1cccc(C#N)c1 ZINC000054263288 388593224 /nfs/dbraw/zinc/59/32/24/388593224.db2.gz IYWCPUXPGBKAEB-UHFFFAOYSA-N 1 0 217.272 0.898 20 30 BCEDRO CCN1CCN(c2nccnc2C#N)C[C@@H]1C ZINC000106363008 388595145 /nfs/dbraw/zinc/59/51/45/388595145.db2.gz LERVQOWUCWTMHY-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C=C(C)[C@@H](CO)N(C)CC[NH+]1CCCC1 ZINC000649311194 388597900 /nfs/dbraw/zinc/59/79/00/388597900.db2.gz YMYQDWQPIHKQIJ-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C[NH+](C)C1CN(c2ccc(C#N)nn2)C1 ZINC000302029794 388618016 /nfs/dbraw/zinc/61/80/16/388618016.db2.gz RQRNUDBUDXWMCC-UHFFFAOYSA-N 1 0 203.249 0.098 20 30 BCEDRO C[N@H+](CCC(N)=O)Cc1ccc(C#N)cc1 ZINC000298292072 388607271 /nfs/dbraw/zinc/60/72/71/388607271.db2.gz RLPOBOQZNDPGFW-UHFFFAOYSA-N 1 0 217.272 0.865 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000187545130 388609656 /nfs/dbraw/zinc/60/96/56/388609656.db2.gz WLMLTLMGGRFIOP-BPCQOVAHSA-N 1 0 240.347 0.960 20 30 BCEDRO C=CCCC[N@@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000528621683 388552755 /nfs/dbraw/zinc/55/27/55/388552755.db2.gz GDSYREPUEVCCHW-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C[NH+]1CCC(Nc2ccc(C#N)nn2)CC1 ZINC000301908752 388615910 /nfs/dbraw/zinc/61/59/10/388615910.db2.gz FHNJXIIHECVOHQ-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO C[C@]1(CO)CCC[N@@H+]1CCOCCC#N ZINC000549551953 388584808 /nfs/dbraw/zinc/58/48/08/388584808.db2.gz YIRMGAQQVJXPNJ-LLVKDONJSA-N 1 0 212.293 0.763 20 30 BCEDRO C=CC[N@H+](CCOC)CCN1CCO[C@H](C)C1 ZINC000192846598 388686819 /nfs/dbraw/zinc/68/68/19/388686819.db2.gz CIVMSJMWBWNXFP-CYBMUJFWSA-N 1 0 242.363 0.842 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)c1cnn(C)c1C#N ZINC000526009697 388683425 /nfs/dbraw/zinc/68/34/25/388683425.db2.gz LZKPRBJVTPUPBF-UHFFFAOYSA-N 1 0 249.318 0.315 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000246223563 388624332 /nfs/dbraw/zinc/62/43/32/388624332.db2.gz DQSFSSMYKKWQIA-QJPTWQEYSA-N 1 0 239.363 0.607 20 30 BCEDRO C[N@H+](CCNc1nccnc1C#N)C1CC1 ZINC000061559536 388643052 /nfs/dbraw/zinc/64/30/52/388643052.db2.gz DRUBPMKNCGRRJQ-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO C[NH2+]CCNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000517243040 388661102 /nfs/dbraw/zinc/66/11/02/388661102.db2.gz IVRXPKGXGMOJRC-SNVBAGLBSA-N 1 0 247.298 0.661 20 30 BCEDRO Cn1cc(C[NH2+][C@@H](CO)[C@H]2CCCO2)cc1C#N ZINC000447969801 388739332 /nfs/dbraw/zinc/73/93/32/388739332.db2.gz YZFLZXGGKBMHDO-QWHCGFSZSA-N 1 0 249.314 0.526 20 30 BCEDRO Cn1cc(C[NH+]2CCC(O)CC2)cc1C#N ZINC000276778450 388741559 /nfs/dbraw/zinc/74/15/59/388741559.db2.gz QENXRHHZTKOHHG-UHFFFAOYSA-N 1 0 219.288 0.853 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)NCC[NH+]1CCCC1 ZINC000448608293 388743011 /nfs/dbraw/zinc/74/30/11/388743011.db2.gz VLJHJZRVONJBDB-UHFFFAOYSA-N 1 0 246.314 0.722 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)NCCCC[NH+](C)C ZINC000448974855 388746430 /nfs/dbraw/zinc/74/64/30/388746430.db2.gz MPEFTGBTLWMALF-UHFFFAOYSA-N 1 0 248.330 0.968 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C#N)n1C ZINC000448977231 388746620 /nfs/dbraw/zinc/74/66/20/388746620.db2.gz QXSHRGNJUIZTGI-JTQLQIEISA-N 1 0 248.330 0.967 20 30 BCEDRO CO[C@@H]1C[N@H+](Cc2cc(C#N)n(C)c2)C[C@@H]1OC ZINC000277315562 388747059 /nfs/dbraw/zinc/74/70/59/388747059.db2.gz SVQOLEUKFUKFHQ-BETUJISGSA-N 1 0 249.314 0.742 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC([C@H](C)O)CC1 ZINC000225782218 388690436 /nfs/dbraw/zinc/69/04/36/388690436.db2.gz MTFNWLBPOBEFTL-QWRGUYRKSA-N 1 0 238.331 0.217 20 30 BCEDRO CC(C)NC(=[NH2+])NCC1([S@](C)=O)CC1 ZINC000262826267 135320097 /nfs/dbraw/zinc/32/00/97/135320097.db2.gz ZSFVFEDUZGRRAM-AWEZNQCLSA-N 1 0 217.338 0.210 20 30 BCEDRO C[C@@H](O)C[N@H+](CCCCC#N)[C@H](C)CO ZINC000248946314 388701262 /nfs/dbraw/zinc/70/12/62/388701262.db2.gz OUEICUKSMSYEPH-GHMZBOCLSA-N 1 0 214.309 0.744 20 30 BCEDRO N#Cc1ccc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)cc1 ZINC000528608142 388707987 /nfs/dbraw/zinc/70/79/87/388707987.db2.gz ZGVQVFYZSNQKRH-KBPBESRZSA-N 1 0 246.310 0.591 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000249639782 388730743 /nfs/dbraw/zinc/73/07/43/388730743.db2.gz XQPNHYMPBHHJFC-OUAUKWLOSA-N 1 0 226.320 0.428 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CCC[C@H]1OC ZINC000263174233 135336813 /nfs/dbraw/zinc/33/68/13/135336813.db2.gz SLEOGHNRJLCEJI-NXEZZACHSA-N 1 0 211.309 0.892 20 30 BCEDRO C[N@H+](CCO)CCC(=O)Nc1ccc(C#N)cc1 ZINC000037899271 388774424 /nfs/dbraw/zinc/77/44/24/388774424.db2.gz CKSSIYRNXRKVAP-UHFFFAOYSA-N 1 0 247.298 0.811 20 30 BCEDRO C#CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000228889168 388775743 /nfs/dbraw/zinc/77/57/43/388775743.db2.gz JWYQMVMVNDDORS-OPQQBVKSSA-N 1 0 236.315 0.268 20 30 BCEDRO CN1CCO[C@H]2CN(Cc3ccc(C#N)o3)C[C@H]21 ZINC000331572306 388777867 /nfs/dbraw/zinc/77/78/67/388777867.db2.gz WEODVXIUYFXQOM-OLZOCXBDSA-N 1 0 247.298 0.666 20 30 BCEDRO C[N@H+](CCNC(=O)c1ccnc(C#N)c1)C1CC1 ZINC000280547220 388784071 /nfs/dbraw/zinc/78/40/71/388784071.db2.gz JVCBNZJHHOIDNG-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO COCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555552156 388791301 /nfs/dbraw/zinc/79/13/01/388791301.db2.gz HYRXZKAZKNVPDU-UHFFFAOYSA-N 1 0 231.259 0.337 20 30 BCEDRO COCC[C@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000282359919 388816202 /nfs/dbraw/zinc/81/62/02/388816202.db2.gz WCIWLLHVHBNDDC-SECBINFHSA-N 1 0 224.260 0.638 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](CCO)C(C)C ZINC000231040478 388834640 /nfs/dbraw/zinc/83/46/40/388834640.db2.gz PLPZEGGQPGGCFN-GHMZBOCLSA-N 1 0 226.320 0.121 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000541017261 388836887 /nfs/dbraw/zinc/83/68/87/388836887.db2.gz DCZXAXMQQNOTME-OUAUKWLOSA-N 1 0 238.335 0.928 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC[C@@H](C[NH3+])C2)C1=O ZINC000565775736 388969096 /nfs/dbraw/zinc/96/90/96/388969096.db2.gz VZXSIWCLKXDKBQ-NWDGAFQWSA-N 1 0 237.347 0.444 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153190845 388948335 /nfs/dbraw/zinc/94/83/35/388948335.db2.gz HBAVFVSPVZYUQR-UTUOFQBUSA-N 1 0 220.316 0.856 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccco1 ZINC000566108643 388987773 /nfs/dbraw/zinc/98/77/73/388987773.db2.gz XBICCLZKKHMFRC-LLVKDONJSA-N 1 0 237.303 0.576 20 30 BCEDRO CC(C)OCC[C@@H](O)C[NH2+]C[C@H](C)C#N ZINC000566116987 388989104 /nfs/dbraw/zinc/98/91/04/388989104.db2.gz OJCMUZBRXFQRDK-GHMZBOCLSA-N 1 0 214.309 0.912 20 30 BCEDRO C=C(C)CS(=O)(=O)NC1CC[NH+](CC)CC1 ZINC000357018809 533524099 /nfs/dbraw/zinc/52/40/99/533524099.db2.gz MRSFWJKGCHZDHR-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@]1(C)CCOC1 ZINC000262537665 533510403 /nfs/dbraw/zinc/51/04/03/533510403.db2.gz QEWVCUKVMXYCCQ-LLVKDONJSA-N 1 0 211.309 0.893 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H](C)CC(N)=O ZINC000280691396 533541525 /nfs/dbraw/zinc/54/15/25/533541525.db2.gz BFJFJLCRAABLHQ-FOGDFJRCSA-N 1 0 226.320 0.821 20 30 BCEDRO C[C@@H](O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267441683 132189912 /nfs/dbraw/zinc/18/99/12/132189912.db2.gz YUMUPKXYFNMRST-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO CC[N@@H+]1CCN(c2nccc(C#N)n2)[C@H](C)C1 ZINC000295739345 132221008 /nfs/dbraw/zinc/22/10/08/132221008.db2.gz XWNMZHZINJFUPD-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@H]1CN(c2cnccc2C#N)CC[NH2+]1 ZINC000135806523 132241465 /nfs/dbraw/zinc/24/14/65/132241465.db2.gz RUKZVABYYPFAKV-VIFPVBQESA-N 1 0 202.261 0.751 20 30 BCEDRO CCC[NH+]1CCN(c2nccnc2C#N)CC1 ZINC000054379125 132364722 /nfs/dbraw/zinc/36/47/22/132364722.db2.gz VDKDDHTUPHEPND-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO CCCCCCNC(=[NH2+])NCc1ncn(C)n1 ZINC000271047964 133540007 /nfs/dbraw/zinc/54/00/07/133540007.db2.gz MYZAQGQBEFMYHE-UHFFFAOYSA-N 1 0 238.339 0.800 20 30 BCEDRO CN(C(=[NH2+])NCc1ccc(C(N)=O)cc1)C1CC1 ZINC000273337744 133545377 /nfs/dbraw/zinc/54/53/77/133545377.db2.gz LTVQCTNDTOWODW-UHFFFAOYSA-N 1 0 246.314 0.694 20 30 BCEDRO CN(C(=[NH2+])NC[C@H](O)Cc1ccccc1)C1CC1 ZINC000286734288 133566535 /nfs/dbraw/zinc/56/65/35/133566535.db2.gz FVOFSNMRBZOXHZ-CYBMUJFWSA-N 1 0 247.342 0.999 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC1CC[NH+](CC)CC1 ZINC000330843660 133632697 /nfs/dbraw/zinc/63/26/97/133632697.db2.gz KVXYOVRTKHZJAD-ZDUSSCGKSA-N 1 0 240.347 0.914 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000331457995 134000060 /nfs/dbraw/zinc/00/00/60/134000060.db2.gz UUEPDJWOGCJPBI-QJPTWQEYSA-N 1 0 235.331 0.779 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000331424885 134000211 /nfs/dbraw/zinc/00/02/11/134000211.db2.gz DURQOBYORNQYRT-JMJZKYOTSA-N 1 0 236.319 0.715 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000331756536 134001585 /nfs/dbraw/zinc/00/15/85/134001585.db2.gz IXBNZZCHENLEMA-OPRDCNLKSA-N 1 0 221.304 0.887 20 30 BCEDRO N#CCCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331823474 134002843 /nfs/dbraw/zinc/00/28/43/134002843.db2.gz ZRKFVVDIXHSYHE-JTQLQIEISA-N 1 0 236.319 0.684 20 30 BCEDRO Cn1cc([C@@H]2C[N@H+](CCCC#N)C[C@H]2CO)cn1 ZINC000332396089 134004862 /nfs/dbraw/zinc/00/48/62/134004862.db2.gz IYQPREPEVDMMNJ-STQMWFEESA-N 1 0 248.330 0.732 20 30 BCEDRO CCN1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC000332734769 134011567 /nfs/dbraw/zinc/01/15/67/134011567.db2.gz VMOBGYMKJUEILB-GMTAPVOTSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@@H]1CCSCC[N@@H+]1CC(=O)NCC#N ZINC000335937746 134012914 /nfs/dbraw/zinc/01/29/14/134012914.db2.gz KBMSZTIUSNLCMB-SECBINFHSA-N 1 0 227.333 0.454 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000336000687 134046489 /nfs/dbraw/zinc/04/64/89/134046489.db2.gz KLYVNKUNGHIBIG-QWRGUYRKSA-N 1 0 223.320 0.946 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000336008879 134050053 /nfs/dbraw/zinc/05/00/53/134050053.db2.gz XSMVIXLDIXGZBA-CHWSQXEVSA-N 1 0 222.332 0.805 20 30 BCEDRO CS[C@@H]1CN(C(=O)CC#N)C[C@H]1[NH+](C)C ZINC000336310947 134142992 /nfs/dbraw/zinc/14/29/92/134142992.db2.gz KOPONDCYXMHSNN-RKDXNWHRSA-N 1 0 227.333 0.404 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@]1(C)CCCO ZINC000352892076 134157942 /nfs/dbraw/zinc/15/79/42/134157942.db2.gz HKMAJAJZBACAPY-CYBMUJFWSA-N 1 0 240.347 0.916 20 30 BCEDRO CC(C)NC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000104183657 134159254 /nfs/dbraw/zinc/15/92/54/134159254.db2.gz VQIUDGNDAVJYMK-UHFFFAOYSA-N 1 0 235.291 0.333 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000353039178 134159429 /nfs/dbraw/zinc/15/94/29/134159429.db2.gz IBOAASFOJCZLON-AAEUAGOBSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1(CO)CCCC1 ZINC000304869378 134159796 /nfs/dbraw/zinc/15/97/96/134159796.db2.gz DRCUADVAZADXAH-UHFFFAOYSA-N 1 0 212.293 0.183 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000305089484 134160111 /nfs/dbraw/zinc/16/01/11/134160111.db2.gz OZLBXIAAVPZIOB-UTUOFQBUSA-N 1 0 240.347 0.899 20 30 BCEDRO CC(C)(C)S(=O)(=O)CCNC(=[NH2+])NC1CC1 ZINC000113700315 134161238 /nfs/dbraw/zinc/16/12/38/134161238.db2.gz UMTRBUQOJIJHJY-UHFFFAOYSA-N 1 0 247.364 0.266 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)C[C@H](C)OC ZINC000353199205 134162306 /nfs/dbraw/zinc/16/23/06/134162306.db2.gz BSYXGLOZRNXNRL-NSHDSACASA-N 1 0 241.335 0.715 20 30 BCEDRO COCCN(CC[NH+](C)C)C(=O)[C@H](C)C#N ZINC000353777658 134164939 /nfs/dbraw/zinc/16/49/39/134164939.db2.gz 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223.320 0.553 20 30 BCEDRO C=CCOCCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338370550 135035378 /nfs/dbraw/zinc/03/53/78/135035378.db2.gz WEWUKBVQTYIERG-TXEJJXNPSA-N 1 0 227.304 0.679 20 30 BCEDRO C=CCC[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000338549909 135040125 /nfs/dbraw/zinc/04/01/25/135040125.db2.gz YENPIZVJLPXMME-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338586970 135042108 /nfs/dbraw/zinc/04/21/08/135042108.db2.gz KSQWGVJNFNMBAP-QWRGUYRKSA-N 1 0 217.284 0.720 20 30 BCEDRO C=CCOCC[N@H+]1CCC[C@@H](OCCO)C1 ZINC000338997821 135051450 /nfs/dbraw/zinc/05/14/50/135051450.db2.gz CEDDLSDRDBGFQJ-GFCCVEGCSA-N 1 0 229.320 0.662 20 30 BCEDRO CN1CC[C@H]([N@H+](C)[C@@H]2CC[C@H](C#N)C2)C1=O ZINC000339002135 135051907 /nfs/dbraw/zinc/05/19/07/135051907.db2.gz XHBKEPYPDXYUQC-AXFHLTTASA-N 1 0 221.304 0.841 20 30 BCEDRO CC(C)(C)[N@H+](CCOCCC#N)CC(N)=O ZINC000339021076 135052384 /nfs/dbraw/zinc/05/23/84/135052384.db2.gz HQYOKZJKJNPRKQ-UHFFFAOYSA-N 1 0 227.308 0.502 20 30 BCEDRO C[C@H]1CC[N@H+](CCOCCC#N)C[C@@H]1O ZINC000339063355 135055180 /nfs/dbraw/zinc/05/51/80/135055180.db2.gz VQQBSDJNODGFFM-QWRGUYRKSA-N 1 0 212.293 0.619 20 30 BCEDRO COCC1(O)CC[NH+](CCOCCC#N)CC1 ZINC000339059480 135055761 /nfs/dbraw/zinc/05/57/61/135055761.db2.gz UKJMIKQRTILFTB-UHFFFAOYSA-N 1 0 242.319 0.390 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CCOCCC#N ZINC000339061468 135056273 /nfs/dbraw/zinc/05/62/73/135056273.db2.gz KULCDXRXLFIRNJ-NWDGAFQWSA-N 1 0 225.336 0.941 20 30 BCEDRO C=CCOCCN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000339090063 135057840 /nfs/dbraw/zinc/05/78/40/135057840.db2.gz BAJFAKAWVHFAHQ-CHWSQXEVSA-N 1 0 242.363 0.576 20 30 BCEDRO C=CCOCC[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000339097147 135058260 /nfs/dbraw/zinc/05/82/60/135058260.db2.gz ZKWSILANCKUVRF-GFCCVEGCSA-N 1 0 243.303 0.501 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000339119545 135060277 /nfs/dbraw/zinc/06/02/77/135060277.db2.gz SCGYCHLAKIDNTI-QJPTWQEYSA-N 1 0 238.331 0.775 20 30 BCEDRO COC(=O)[C@@H]1CC[N@H+](CCOCCC#N)[C@H]1C ZINC000339118396 135060851 /nfs/dbraw/zinc/06/08/51/135060851.db2.gz KOBHTSSYEUXDKY-WDEREUQCSA-N 1 0 240.303 0.800 20 30 BCEDRO N#CCCOCC[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000339135369 135061638 /nfs/dbraw/zinc/06/16/38/135061638.db2.gz MADOWJJDNJZGJX-GFCCVEGCSA-N 1 0 237.303 0.129 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000339134071 135061657 /nfs/dbraw/zinc/06/16/57/135061657.db2.gz NIKUVVPIDDUJBI-PHIMTYICSA-N 1 0 215.293 0.535 20 30 BCEDRO CC[N@H+](CCOCCC#N)[C@@H]1CCNC1=O ZINC000339154685 135062876 /nfs/dbraw/zinc/06/28/76/135062876.db2.gz BLDLDGGYCJKCTN-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO CC(C)C(=O)NCCCNC1=[NH+]CCCN1 ZINC000339218529 135066114 /nfs/dbraw/zinc/06/61/14/135066114.db2.gz SOMVBCWUCYAPMW-UHFFFAOYSA-N 1 0 226.324 0.088 20 30 BCEDRO C[C@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC#N ZINC000251679920 135073540 /nfs/dbraw/zinc/07/35/40/135073540.db2.gz HTOZGFXAKSYGCG-QWRGUYRKSA-N 1 0 221.304 0.985 20 30 BCEDRO C=CCNC(=O)CN1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339623185 135076526 /nfs/dbraw/zinc/07/65/26/135076526.db2.gz SAADAYNICWRUMK-GHMZBOCLSA-N 1 0 225.336 0.313 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252520243 135092201 /nfs/dbraw/zinc/09/22/01/135092201.db2.gz KJAGUKUXIZCUHQ-BBBLOLIVSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NC1CC[NH+](C)CC1 ZINC000340004801 135094221 /nfs/dbraw/zinc/09/42/21/135094221.db2.gz AGGVGCOUJXDWJL-SNVBAGLBSA-N 1 0 238.335 0.882 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000086886368 135100374 /nfs/dbraw/zinc/10/03/74/135100374.db2.gz KXLFIZWVBNYRGT-DCAQKATOSA-N 1 0 225.336 0.346 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000086886365 135100397 /nfs/dbraw/zinc/10/03/97/135100397.db2.gz KXLFIZWVBNYRGT-VWYCJHECSA-N 1 0 225.336 0.346 20 30 BCEDRO Cc1cccnc1CNC1=[NH+]C[C@H](C)N1 ZINC000261531091 135109153 /nfs/dbraw/zinc/10/91/53/135109153.db2.gz FDNUNNOHEYZPGS-VIFPVBQESA-N 1 0 204.277 0.827 20 30 BCEDRO CN1CC[NH+]=C1NCCc1ccc(O)cc1 ZINC000261584358 135109751 /nfs/dbraw/zinc/10/97/51/135109751.db2.gz PSAURQOPQXAXPM-UHFFFAOYSA-N 1 0 219.288 0.826 20 30 BCEDRO CNC(NCc1cccc(N(C)C)n1)=[NH+]C ZINC000261701414 135111001 /nfs/dbraw/zinc/11/10/01/135111001.db2.gz TVZRBOUTDAIASF-UHFFFAOYSA-N 1 0 221.308 0.442 20 30 BCEDRO N/C(NC1CC1)=[NH+]/Cc1cn2ccsc2n1 ZINC000261689582 135111498 /nfs/dbraw/zinc/11/14/98/135111498.db2.gz BCDFXQYQCQIHHU-UHFFFAOYSA-N 1 0 235.316 0.963 20 30 BCEDRO CN1CC[NH+]=C1NCCc1cn2ccccc2n1 ZINC000261858069 135112197 /nfs/dbraw/zinc/11/21/97/135112197.db2.gz AAELMEAOAPIYKQ-UHFFFAOYSA-N 1 0 243.314 0.768 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](O)c1cccc(F)c1 ZINC000261875329 135112291 /nfs/dbraw/zinc/11/22/91/135112291.db2.gz PVJLNRMDOBFZAR-NSHDSACASA-N 1 0 237.278 0.949 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@](C)(O)c2ccccc2)N1 ZINC000261859299 135112316 /nfs/dbraw/zinc/11/23/16/135112316.db2.gz AHBKXKUNDPABNM-MFKMUULPSA-N 1 0 233.315 0.831 20 30 BCEDRO [NH2+]=C(NCCNC(=O)c1ccco1)NC1CC1 ZINC000261885154 135112358 /nfs/dbraw/zinc/11/23/58/135112358.db2.gz RRIACJXSBGBFQK-UHFFFAOYSA-N 1 0 236.275 0.076 20 30 BCEDRO CC[C@@H](C)NC(NCc1nnc(C)n1C)=[NH+]C ZINC000261973769 135113183 /nfs/dbraw/zinc/11/31/83/135113183.db2.gz NGQDBCXATQDDOM-MRVPVSSYSA-N 1 0 238.339 0.587 20 30 BCEDRO Cc1nnc(CNC(NC2CC2)=[NH+]C2CC2)n1C ZINC000261936503 135113273 /nfs/dbraw/zinc/11/32/73/135113273.db2.gz CMWPYFRQACDQOR-UHFFFAOYSA-N 1 0 248.334 0.484 20 30 BCEDRO CNC(=[NH2+])N1CC[C@H](Oc2ccccn2)C1 ZINC000261991785 135113548 /nfs/dbraw/zinc/11/35/48/135113548.db2.gz RLKFCCPDENOEAR-VIFPVBQESA-N 1 0 220.276 0.479 20 30 BCEDRO C[NH+]=C(NCc1nnc(C)n1C)NC(C)(C)C ZINC000262014541 135114130 /nfs/dbraw/zinc/11/41/30/135114130.db2.gz XMTORJMXYBRJHF-UHFFFAOYSA-N 1 0 238.339 0.587 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CCO[C@@H](C)C1 ZINC000262015120 135114745 /nfs/dbraw/zinc/11/47/45/135114745.db2.gz VRPVCMDBOWNSTP-VHSXEESVSA-N 1 0 211.309 0.892 20 30 BCEDRO C[NH+]=C(NCC(=O)N(C)C)NCc1ccco1 ZINC000262168570 135116975 /nfs/dbraw/zinc/11/69/75/135116975.db2.gz USBFODSOJAJGCE-UHFFFAOYSA-N 1 0 238.291 0.033 20 30 BCEDRO C[NH+]=C(NC[C@@](C)(O)c1ccco1)N(C)C ZINC000262350924 135117853 /nfs/dbraw/zinc/11/78/53/135117853.db2.gz HIYMZHXVRFXUFD-LLVKDONJSA-N 1 0 225.292 0.624 20 30 BCEDRO C[NH+]=C(NCc1cccn1C)NC1CC1 ZINC000262344581 135117928 /nfs/dbraw/zinc/11/79/28/135117928.db2.gz DDJUWGDULGPVLY-UHFFFAOYSA-N 1 0 206.293 0.853 20 30 BCEDRO C=CCNC(NC[C@H]1CCC[C@@H]1O)=[NH+]C ZINC000262375175 135118101 /nfs/dbraw/zinc/11/81/01/135118101.db2.gz JHXWOESDFPBANS-ZJUUUORDSA-N 1 0 211.309 0.498 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCn1cc(C)cn1 ZINC000262285902 135118232 /nfs/dbraw/zinc/11/82/32/135118232.db2.gz MKAJGAQYLKTGGY-SNVBAGLBSA-N 1 0 223.324 0.894 20 30 BCEDRO C[NH+]=C(NC1CC1)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262502725 135118586 /nfs/dbraw/zinc/11/85/86/135118586.db2.gz YXZKYMGFBQBHQJ-JTQLQIEISA-N 1 0 247.346 0.947 20 30 BCEDRO CNC(NC[C@@H](O)c1ccc(C)o1)=[NH+]C ZINC000262404751 135118804 /nfs/dbraw/zinc/11/88/04/135118804.db2.gz VZJCNUPHZGZAMN-MRVPVSSYSA-N 1 0 211.265 0.416 20 30 BCEDRO Cc1cnn(CC[NH+]=C(N(C)C)N(C)C)c1 ZINC000262520861 135118945 /nfs/dbraw/zinc/11/89/45/135118945.db2.gz IIKQFQAOCCGCEB-UHFFFAOYSA-N 1 0 223.324 0.671 20 30 BCEDRO COc1cccc([C@H](O)CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262420318 135119003 /nfs/dbraw/zinc/11/90/03/135119003.db2.gz BCVCRVXWPNBEKP-JOYOIKCWSA-N 1 0 249.314 0.666 20 30 BCEDRO C[NH+]=C(NC1CC1)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262502726 135119061 /nfs/dbraw/zinc/11/90/61/135119061.db2.gz YXZKYMGFBQBHQJ-SNVBAGLBSA-N 1 0 247.346 0.947 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cnc(N(C)C)n1C ZINC000262627778 135119490 /nfs/dbraw/zinc/11/94/90/135119490.db2.gz DUBPGZZMGZPMQL-UHFFFAOYSA-N 1 0 236.323 0.076 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@](C)(O)c2ccco2)N1 ZINC000262664332 135120270 /nfs/dbraw/zinc/12/02/70/135120270.db2.gz NYOPGSMAGBASCC-KWQFWETISA-N 1 0 223.276 0.424 20 30 BCEDRO CN1CC[NH+]=C1NCCc1cccc(O)c1 ZINC000262668407 135120326 /nfs/dbraw/zinc/12/03/26/135120326.db2.gz PVMRTWLQXDBXNU-UHFFFAOYSA-N 1 0 219.288 0.826 20 30 BCEDRO CN1CC[NH+]=C1NCCNc1ccccn1 ZINC000262667846 135120374 /nfs/dbraw/zinc/12/03/74/135120374.db2.gz PPXPEFFCGQYJQK-UHFFFAOYSA-N 1 0 219.292 0.385 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H](O)c2ccc(F)cc2)N1 ZINC000262640954 135120464 /nfs/dbraw/zinc/12/04/64/135120464.db2.gz HUDNGMUYQIFPSP-KWQFWETISA-N 1 0 237.278 0.796 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2ccccc2O)N1 ZINC000262670001 135120597 /nfs/dbraw/zinc/12/05/97/135120597.db2.gz QNKYRQUDADYRLO-VIFPVBQESA-N 1 0 219.288 0.872 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@]2(O)CCc3ccccc32)N1 ZINC000262670023 135120709 /nfs/dbraw/zinc/12/07/09/135120709.db2.gz QOFVNMBVAMDUAQ-QMTHXVAHSA-N 1 0 245.326 0.758 20 30 BCEDRO COc1ccc(CNC2=[NH+]C[C@@H](C)N2)nc1 ZINC000262676729 135120854 /nfs/dbraw/zinc/12/08/54/135120854.db2.gz UHNXAEWUIVVAEN-MRVPVSSYSA-N 1 0 220.276 0.528 20 30 BCEDRO CN1CC[NH+]=C1NCCOC(F)(F)F ZINC000262676499 135120860 /nfs/dbraw/zinc/12/08/60/135120860.db2.gz UBPGLKUIHAWJAJ-UHFFFAOYSA-N 1 0 211.187 0.414 20 30 BCEDRO Cc1cnccc1CCNC1=[NH+]C[C@H](C)N1 ZINC000262676687 135120910 /nfs/dbraw/zinc/12/09/10/135120910.db2.gz UFVOGVKULDIWLW-JTQLQIEISA-N 1 0 218.304 0.870 20 30 BCEDRO Cc1noc(C)c1CCNC1=[NH+]CCN1C ZINC000262680412 135120914 /nfs/dbraw/zinc/12/09/14/135120914.db2.gz VWLAJUWZEWANQM-UHFFFAOYSA-N 1 0 222.292 0.725 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@](C)(O)c2ccsc2)N1 ZINC000262679980 135121089 /nfs/dbraw/zinc/12/10/89/135121089.db2.gz VQNOGNZZQNFOLS-GZMMTYOYSA-N 1 0 239.344 0.893 20 30 BCEDRO CN(C)c1ccc(CNC2=[NH+]CCN2C)cn1 ZINC000262683206 135121221 /nfs/dbraw/zinc/12/12/21/135121221.db2.gz XFUFSCYAZAQYEV-UHFFFAOYSA-N 1 0 233.319 0.539 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253202318 135124805 /nfs/dbraw/zinc/12/48/05/135124805.db2.gz YQXARWAGKVBMHP-SDDRHHMPSA-N 1 0 239.363 0.594 20 30 BCEDRO C[NH+]=C(NCc1nccn1C)N1CCCC1 ZINC000263261702 135125819 /nfs/dbraw/zinc/12/58/19/135125819.db2.gz SVRLKSPQJCAALP-UHFFFAOYSA-N 1 0 221.308 0.591 20 30 BCEDRO C[NH+]=C(NCc1ccnn1C)NC(C)(C)C ZINC000263275328 135125860 /nfs/dbraw/zinc/12/58/60/135125860.db2.gz YEFDIVXOKWPDCD-UHFFFAOYSA-N 1 0 223.324 0.884 20 30 BCEDRO C=CCNC(NCc1nnc2n1CCC2)=[NH+]CC ZINC000263268611 135125891 /nfs/dbraw/zinc/12/58/91/135125891.db2.gz WDBJDXXCKIVBJK-UHFFFAOYSA-N 1 0 248.334 0.465 20 30 BCEDRO C[NH+]=C(NCc1nncn1C)NC(C)(C)C ZINC000263268666 135126202 /nfs/dbraw/zinc/12/62/02/135126202.db2.gz WEYCWDJKDLCFRI-UHFFFAOYSA-N 1 0 224.312 0.279 20 30 BCEDRO CNC(NCCCn1nc(C)cc1C)=[NH+]C ZINC000263999812 135129554 /nfs/dbraw/zinc/12/95/54/135129554.db2.gz YTAWKZLUKXMPON-UHFFFAOYSA-N 1 0 223.324 0.685 20 30 BCEDRO C[NH+]=C(NCc1ccc(N(C)C)nc1)NC1CC1 ZINC000264043301 135130187 /nfs/dbraw/zinc/13/01/87/135130187.db2.gz JOJASHJUVVTEBT-UHFFFAOYSA-N 1 0 247.346 0.975 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)COc1cccc(C)c1 ZINC000264063852 135131009 /nfs/dbraw/zinc/13/10/09/135131009.db2.gz AJPLSDXNOONAHC-JTQLQIEISA-N 1 0 237.303 0.269 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000264065763 135131032 /nfs/dbraw/zinc/13/10/32/135131032.db2.gz BESOPPAGJNZOPJ-SECBINFHSA-N 1 0 248.330 0.988 20 30 BCEDRO CNC(NC[C@@H](O)c1ccc(OC)cc1)=[NH+]C ZINC000264068193 135131096 /nfs/dbraw/zinc/13/10/96/135131096.db2.gz CADFWDYJTQBXFQ-LLVKDONJSA-N 1 0 237.303 0.523 20 30 BCEDRO COCCOc1ccc(CNC(N)=[NH2+])cc1 ZINC000264071138 135131252 /nfs/dbraw/zinc/13/12/52/135131252.db2.gz DGMFRBRGQXUQJE-UHFFFAOYSA-N 1 0 223.276 0.485 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)c1cccc(F)c1 ZINC000264067025 135131256 /nfs/dbraw/zinc/13/12/56/135131256.db2.gz BOLRURURTJOIFB-SECBINFHSA-N 1 0 211.240 0.393 20 30 BCEDRO [NH2+]=C(NC[C@H](O)c1ccccc1F)NC1CC1 ZINC000264092796 135132395 /nfs/dbraw/zinc/13/23/95/135132395.db2.gz LKACYOFDBDJSSJ-NSHDSACASA-N 1 0 237.278 0.926 20 30 BCEDRO C[NH+]=C(NCc1c[nH]nc1C)NC1CC1 ZINC000264093753 135132437 /nfs/dbraw/zinc/13/24/37/135132437.db2.gz XFWQRQZXRQPTHX-UHFFFAOYSA-N 1 0 207.281 0.546 20 30 BCEDRO CC[C@@H](C)NC(=O)c1cccc(CNC(N)=[NH2+])c1 ZINC000264098899 135132948 /nfs/dbraw/zinc/13/29/48/135132948.db2.gz NKJNSTGVMBTJPM-SECBINFHSA-N 1 0 248.330 0.988 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCN(C)C1CC1 ZINC000264103490 135133058 /nfs/dbraw/zinc/13/30/58/135133058.db2.gz OUMZNJSONQJXSQ-UHFFFAOYSA-N 1 0 210.325 0.561 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@H](O)c1ccccc1 ZINC000264103786 135133414 /nfs/dbraw/zinc/13/34/14/135133414.db2.gz NDQXMJSWDFASHP-SNVBAGLBSA-N 1 0 207.277 0.596 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1cnn(C)c1 ZINC000264112561 135133613 /nfs/dbraw/zinc/13/36/13/135133613.db2.gz RIZUNRCVUYKYTO-MRVPVSSYSA-N 1 0 209.297 0.623 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCc1ccccn1 ZINC000264109182 135133876 /nfs/dbraw/zinc/13/38/76/135133876.db2.gz OKYFRKQFDDRVME-JTQLQIEISA-N 1 0 236.319 0.563 20 30 BCEDRO [NH2+]=C(NCc1cccc(F)c1)N1CCOCC1 ZINC000264145887 135135827 /nfs/dbraw/zinc/13/58/27/135135827.db2.gz XSQARJVHESAJPO-UHFFFAOYSA-N 1 0 237.278 0.973 20 30 BCEDRO CC(=O)Nc1cccc(OCCNC(N)=[NH2+])c1 ZINC000264254133 135136997 /nfs/dbraw/zinc/13/69/97/135136997.db2.gz HZLCOYNQFQPHCY-UHFFFAOYSA-N 1 0 236.275 0.297 20 30 BCEDRO CNC(NCCCc1cnn(C)c1)=[NH+]C ZINC000264255749 135137120 /nfs/dbraw/zinc/13/71/20/135137120.db2.gz IFVJWKGQMMZCAU-UHFFFAOYSA-N 1 0 209.297 0.148 20 30 BCEDRO CNC(NCCCc1nc(C)no1)=[NH+]C ZINC000264252778 135137383 /nfs/dbraw/zinc/13/73/83/135137383.db2.gz HTZURAWYVLXSJL-UHFFFAOYSA-N 1 0 211.269 0.105 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC000259919076 135145350 /nfs/dbraw/zinc/14/53/50/135145350.db2.gz JVRFHDBEEMWFHK-SNVBAGLBSA-N 1 0 223.320 0.946 20 30 BCEDRO C[C@H](CC#N)NC(=O)C1CC[NH+](C)CC1 ZINC000259929413 135145669 /nfs/dbraw/zinc/14/56/69/135145669.db2.gz KHORWTRJVYLYHM-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO CNC(=[NH2+])NC[C@@](C)(O)c1cccs1 ZINC000265764455 135145731 /nfs/dbraw/zinc/14/57/31/135145731.db2.gz IFSRMOHEVCINCU-SECBINFHSA-N 1 0 213.306 0.490 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)/C=C/C[NH+](C)C ZINC000265707440 135145788 /nfs/dbraw/zinc/14/57/88/135145788.db2.gz TYJLMGUTCXJUKS-PORFMDCZSA-N 1 0 209.293 0.769 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000259960101 135146010 /nfs/dbraw/zinc/14/60/10/135146010.db2.gz LOVOGKXARIDROI-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO CCNC(NC[C@@H](O)c1cnn(C)c1)=[NH+]CC ZINC000266170212 135147801 /nfs/dbraw/zinc/14/78/01/135147801.db2.gz ZAXSGIRBIKQOGJ-SNVBAGLBSA-N 1 0 239.323 0.029 20 30 BCEDRO CNC(=[NH2+])NCCc1cccc(C(=O)N(C)C)c1 ZINC000266143399 135147812 /nfs/dbraw/zinc/14/78/12/135147812.db2.gz RDRDVYJMQRLWHU-UHFFFAOYSA-N 1 0 248.330 0.465 20 30 BCEDRO C=C(Br)CNC1=[NH+]C[C@@H](C)N1 ZINC000261528177 135153748 /nfs/dbraw/zinc/15/37/48/135153748.db2.gz JKBGAHUURUYBGF-ZCFIWIBFSA-N 1 0 218.098 0.832 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](C)Oc1ccccc1 ZINC000267430528 135154294 /nfs/dbraw/zinc/15/42/94/135154294.db2.gz MOGPZRVOZKPCGY-SECBINFHSA-N 1 0 207.277 0.988 20 30 BCEDRO Cc1csc(CNC2=[NH+]C[C@H](C)N2)n1 ZINC000261528640 135154442 /nfs/dbraw/zinc/15/44/42/135154442.db2.gz NAHAWUUPPYWZLM-LURJTMIESA-N 1 0 210.306 0.889 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2nccs2)N1 ZINC000261529614 135155456 /nfs/dbraw/zinc/15/54/56/135155456.db2.gz UHCUIRPTOIVWJT-ZETCQYMHSA-N 1 0 210.306 0.623 20 30 BCEDRO CNC(NC[C@@H](O)c1cccc(C)c1)=[NH+]C ZINC000268978265 135163626 /nfs/dbraw/zinc/16/36/26/135163626.db2.gz QPSGEQMLCFHFJD-LLVKDONJSA-N 1 0 221.304 0.823 20 30 BCEDRO CNC(NCCOc1ncccc1F)=[NH+]C ZINC000269480846 135165519 /nfs/dbraw/zinc/16/55/19/135165519.db2.gz OGWDHQWTAVIVAB-UHFFFAOYSA-N 1 0 226.255 0.394 20 30 BCEDRO Cc1nccn1CCNC1=[NH+]C[C@H](C)N1 ZINC000261534118 135165930 /nfs/dbraw/zinc/16/59/30/135165930.db2.gz LTFWFZDTNZPGOC-QMMMGPOBSA-N 1 0 207.281 0.129 20 30 BCEDRO Cc1cnccc1CCNC(=[NH2+])NC1CC1 ZINC000269987115 135167827 /nfs/dbraw/zinc/16/78/27/135167827.db2.gz SVWIWUVGWJAGIO-UHFFFAOYSA-N 1 0 218.304 0.999 20 30 BCEDRO CCNC(=[NH2+])NC[C@](C)(O)c1ccccc1 ZINC000270053309 135168774 /nfs/dbraw/zinc/16/87/74/135168774.db2.gz BCZBNELESYGFJB-LBPRGKRZSA-N 1 0 221.304 0.818 20 30 BCEDRO CCN(CCNC1=[NH+]CCN1C)C1CC1 ZINC000261536141 135171214 /nfs/dbraw/zinc/17/12/14/135171214.db2.gz QNPQHXIKAOCWMP-UHFFFAOYSA-N 1 0 210.325 0.362 20 30 BCEDRO C[C@@H](CNC1=[NH+]CCN1C)N(C)C1CC1 ZINC000261536946 135172895 /nfs/dbraw/zinc/17/28/95/135172895.db2.gz UHRBKYCQAUMOKD-VIFPVBQESA-N 1 0 210.325 0.360 20 30 BCEDRO CO[C@@H]1C[C@H](NC(=[NH2+])NC2CC2)C1(C)C ZINC000261536848 135173515 /nfs/dbraw/zinc/17/35/15/135173515.db2.gz TYKSGJZQGVUKEK-DTWKUNHWSA-N 1 0 211.309 0.867 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261554517 135194249 /nfs/dbraw/zinc/19/42/49/135194249.db2.gz UISADZMIPGOMOJ-NXEZZACHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000121380630 135223753 /nfs/dbraw/zinc/22/37/53/135223753.db2.gz OCQWPPMOYSXIQM-UHFFFAOYSA-N 1 0 210.237 0.909 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](CC)CC(=O)NCC ZINC000122112428 135226039 /nfs/dbraw/zinc/22/60/39/135226039.db2.gz OEKQAARTZQXHAH-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CC)CC(=O)NCC ZINC000122112642 135226338 /nfs/dbraw/zinc/22/63/38/135226338.db2.gz OEKQAARTZQXHAH-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCC(=O)N2CCCCC2)N1 ZINC000261547664 135240856 /nfs/dbraw/zinc/24/08/56/135240856.db2.gz ILJNRWAQQUCTJT-SNVBAGLBSA-N 1 0 238.335 0.326 20 30 BCEDRO C=CCN1CCC([NH2+][C@@H](C)CC(=O)NC)CC1 ZINC000341905287 135244742 /nfs/dbraw/zinc/24/47/42/135244742.db2.gz VZOGDPKOWMURDT-NSHDSACASA-N 1 0 239.363 0.751 20 30 BCEDRO N#CCNC(=O)C[N@H+]1CCCCC[C@@H]1CCO ZINC000342073043 135247811 /nfs/dbraw/zinc/24/78/11/135247811.db2.gz VFCCFIBIQJSXLR-LLVKDONJSA-N 1 0 239.319 0.253 20 30 BCEDRO CNC(=O)CC1CCN(/C(NC)=[NH+]/C)CC1 ZINC000261736026 135248912 /nfs/dbraw/zinc/24/89/12/135248912.db2.gz KACWJAZDVNGIJX-UHFFFAOYSA-N 1 0 226.324 0.040 20 30 BCEDRO CNC(=[NH2+])N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261768361 135251314 /nfs/dbraw/zinc/25/13/14/135251314.db2.gz DLGPAWOREULODT-UHFFFAOYSA-N 1 0 226.324 0.262 20 30 BCEDRO CC[C@]1(C)CCN(C(NCC(=O)NC)=[NH+]C)C1 ZINC000261776946 135251572 /nfs/dbraw/zinc/25/15/72/135251572.db2.gz OUEKUVGRZBHVNZ-GFCCVEGCSA-N 1 0 240.351 0.430 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C[N@@H+](CC)C1CC1 ZINC000342170676 135252386 /nfs/dbraw/zinc/25/23/86/135252386.db2.gz YPRUNEPBBVFBFF-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000342171196 135252478 /nfs/dbraw/zinc/25/24/78/135252478.db2.gz ZWRKOSXMGQCPTA-VXGBXAGGSA-N 1 0 242.363 0.873 20 30 BCEDRO CNC(=[NH2+])N[C@@H](C)Cc1c(C)nn(C)c1C ZINC000261855383 135257658 /nfs/dbraw/zinc/25/76/58/135257658.db2.gz YQZMSBXITNXASD-ZETCQYMHSA-N 1 0 223.324 0.502 20 30 BCEDRO [NH2+]=C(NCc1nccs1)NC[C@H]1CCCO1 ZINC000261884017 135260045 /nfs/dbraw/zinc/26/00/45/135260045.db2.gz RLRXYNDXXVRURT-MRVPVSSYSA-N 1 0 240.332 0.726 20 30 BCEDRO N#Cc1cccc(CNC2=[NH+]CCCN2)c1 ZINC000261893550 135261046 /nfs/dbraw/zinc/26/10/46/135261046.db2.gz UJITUJUJHOPMBU-UHFFFAOYSA-N 1 0 214.272 0.997 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCn1cccn1 ZINC000261909140 135261546 /nfs/dbraw/zinc/26/15/46/135261546.db2.gz XRPUAUDSFFIFJO-SECBINFHSA-N 1 0 209.297 0.586 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2nncn2C)C1 ZINC000261983276 135264309 /nfs/dbraw/zinc/26/43/09/135264309.db2.gz IYZITUJBTOLFKV-SECBINFHSA-N 1 0 236.323 0.362 20 30 BCEDRO CCC(=O)N1CC[C@@H](NC(=[NH+]C)N(C)C)C1 ZINC000261945114 135264898 /nfs/dbraw/zinc/26/48/98/135264898.db2.gz FQMBRSWKASZTKS-SECBINFHSA-N 1 0 226.324 0.134 20 30 BCEDRO CC(C)NC(=[NH2+])NCCNc1cnccn1 ZINC000262020186 135272993 /nfs/dbraw/zinc/27/29/93/135272993.db2.gz XSGPYOXKHHIZGQ-UHFFFAOYSA-N 1 0 222.296 0.201 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCO[C@@H](C)C1 ZINC000262024825 135274141 /nfs/dbraw/zinc/27/41/41/135274141.db2.gz ZBSXPFKRZXJDTM-GARJFASQSA-N 1 0 243.351 0.741 20 30 BCEDRO [NH2+]=C(NCc1cnn2ccccc12)NC1CC1 ZINC000262066565 135276499 /nfs/dbraw/zinc/27/64/99/135276499.db2.gz BHLKMAPFYPCYIO-UHFFFAOYSA-N 1 0 229.287 0.901 20 30 BCEDRO CN(C(=[NH2+])NCC[S@@](=O)C(C)(C)C)C1CC1 ZINC000262249056 135288016 /nfs/dbraw/zinc/28/80/16/135288016.db2.gz PEVARRZTRRFSEH-MRXNPFEDSA-N 1 0 245.392 0.943 20 30 BCEDRO C=CCNC(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000262256454 135288466 /nfs/dbraw/zinc/28/84/66/135288466.db2.gz QSJFKBVFJBXZKW-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@@H]1CCCCS1(=O)=O ZINC000262270572 135288965 /nfs/dbraw/zinc/28/89/65/135288965.db2.gz SYQJMFBXHNTBBE-VIFPVBQESA-N 1 0 247.364 0.266 20 30 BCEDRO [NH2+]=C(NCC[C@H]1CCOC1)N1CCSCC1 ZINC000262279119 135289667 /nfs/dbraw/zinc/28/96/67/135289667.db2.gz VIGPYGZXIOBWHR-JTQLQIEISA-N 1 0 243.376 0.777 20 30 BCEDRO Cc1noc(CNC(=[NH2+])N(C)C2CC2)n1 ZINC000262210159 135290448 /nfs/dbraw/zinc/29/04/48/135290448.db2.gz IVAUNAAZZSUHPX-UHFFFAOYSA-N 1 0 209.253 0.287 20 30 BCEDRO C=CCNC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000262297511 135291709 /nfs/dbraw/zinc/29/17/09/135291709.db2.gz WYBVVXHOQQCNPT-ZJUUUORDSA-N 1 0 211.309 0.941 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1CCCS1 ZINC000262416307 135296060 /nfs/dbraw/zinc/29/60/60/135296060.db2.gz QFMQFYKVBPFQNN-NXEZZACHSA-N 1 0 243.376 0.965 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCC2(O)CCCC2)CCO1 ZINC000262424026 135296067 /nfs/dbraw/zinc/29/60/67/135296067.db2.gz CCMNIMYNHOOICR-JTQLQIEISA-N 1 0 241.335 0.327 20 30 BCEDRO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC)C12CCC2 ZINC000262416489 135296270 /nfs/dbraw/zinc/29/62/70/135296270.db2.gz MIQBUHASXVZLFC-RKDXNWHRSA-N 1 0 211.309 0.868 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCS1)NC[C@@H]1CCCO1 ZINC000262416313 135296389 /nfs/dbraw/zinc/29/63/89/135296389.db2.gz QFMQFYKVBPFQNN-VHSXEESVSA-N 1 0 243.376 0.965 20 30 BCEDRO CC/[NH+]=C(\N(C)C)N1CC[C@H](COC)C1 ZINC000262421912 135296452 /nfs/dbraw/zinc/29/64/52/135296452.db2.gz BJQHOGLXEHUVJZ-IUZMTQGWSA-N 1 0 213.325 0.892 20 30 BCEDRO Cn1ccc(CCNC(=[NH2+])NCC2CCC2)n1 ZINC000262359572 135296787 /nfs/dbraw/zinc/29/67/87/135296787.db2.gz IIZUGOQCPLOFNI-UHFFFAOYSA-N 1 0 235.335 0.667 20 30 BCEDRO CNC(N[C@@H]1C[C@@](C)(OC)C1(C)C)=[NH+]C ZINC000262429720 135297154 /nfs/dbraw/zinc/29/71/54/135297154.db2.gz SFAAGTSZFUXGOJ-LDYMZIIASA-N 1 0 213.325 0.985 20 30 BCEDRO Cn1cncc1CNC(=[NH2+])NC(C)(C)C ZINC000262364999 135297234 /nfs/dbraw/zinc/29/72/34/135297234.db2.gz JZLSEYYZWRDFBR-UHFFFAOYSA-N 1 0 209.297 0.623 20 30 BCEDRO CC1(C)[C@H](O)C[C@H]1NC(=[NH2+])NC[C@H]1CCCO1 ZINC000262431627 135297242 /nfs/dbraw/zinc/29/72/42/135297242.db2.gz JXNGZEJFCDSYAG-OPRDCNLKSA-N 1 0 241.335 0.229 20 30 BCEDRO CN(C)C(=[NH2+])NCCc1cn2c(n1)SCC2 ZINC000262373546 135297955 /nfs/dbraw/zinc/29/79/55/135297955.db2.gz JBLDAWXCEUSGQS-UHFFFAOYSA-N 1 0 239.348 0.408 20 30 BCEDRO CCc1nnc(CNC2=[NH+]CCN2C)s1 ZINC000262392471 135298567 /nfs/dbraw/zinc/29/85/67/135298567.db2.gz RUWNYJILIAWOPD-UHFFFAOYSA-N 1 0 225.321 0.492 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCS1)N1CCOCC1 ZINC000262384119 135298705 /nfs/dbraw/zinc/29/87/05/135298705.db2.gz KZLLLTWHOBNIDH-VIFPVBQESA-N 1 0 229.349 0.529 20 30 BCEDRO [NH2+]=C(NC[C@@H]1COC2(CCCC2)O1)NC1CC1 ZINC000262397306 135298993 /nfs/dbraw/zinc/29/89/93/135298993.db2.gz OZRCXBWKEXYDMX-SNVBAGLBSA-N 1 0 239.319 0.739 20 30 BCEDRO CC(=O)N1CCC[C@H](CNC(=[NH2+])NC2CC2)C1 ZINC000262447003 135299436 /nfs/dbraw/zinc/29/94/36/135299436.db2.gz YXODSSQONBSAPE-SNVBAGLBSA-N 1 0 238.335 0.312 20 30 BCEDRO [NH2+]=C(NCCN1CC=CCC1)NCC1CCC1 ZINC000262441314 135299539 /nfs/dbraw/zinc/29/95/39/135299539.db2.gz HRWNCQAIFBOXTF-UHFFFAOYSA-N 1 0 236.363 0.953 20 30 BCEDRO CN(C(=[NH2+])NCc1cc(C(N)=O)co1)C1CC1 ZINC000262446649 135299729 /nfs/dbraw/zinc/29/97/29/135299729.db2.gz DDXUBMLNJQYUGS-UHFFFAOYSA-N 1 0 236.275 0.287 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1cc(C(N)=O)co1 ZINC000262439771 135299804 /nfs/dbraw/zinc/29/98/04/135299804.db2.gz NDFIIPFLKKCMRM-ZETCQYMHSA-N 1 0 238.291 0.581 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H](O)C1(C)C ZINC000262451270 135300155 /nfs/dbraw/zinc/30/01/55/135300155.db2.gz REYPZXSAEDFORI-YIZRAAEISA-N 1 0 229.324 0.085 20 30 BCEDRO C=C(C)COCCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262451020 135300280 /nfs/dbraw/zinc/30/02/80/135300280.db2.gz JUKJBIOPNRHHAW-LLVKDONJSA-N 1 0 241.335 0.615 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cc(C(N)=O)co1 ZINC000262459480 135300674 /nfs/dbraw/zinc/30/06/74/135300674.db2.gz JCHNUVBULMONTB-UHFFFAOYSA-N 1 0 236.275 0.359 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])N[C@@H]1CCn2ccnc2C1 ZINC000262466561 135300836 /nfs/dbraw/zinc/30/08/36/135300836.db2.gz YDCJPEYMFNUILS-NXEZZACHSA-N 1 0 235.335 0.901 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCCC[N@@H+]2C2CC2)N1 ZINC000262474253 135300871 /nfs/dbraw/zinc/30/08/71/135300871.db2.gz BQQHFWWZPZUFPM-PWSUYJOCSA-N 1 0 236.363 0.941 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCCOC2)CCO1 ZINC000262467125 135300888 /nfs/dbraw/zinc/30/08/88/135300888.db2.gz NYCVTBGNOIXJNU-QWRGUYRKSA-N 1 0 241.335 0.448 20 30 BCEDRO COCCC1(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000262465286 135300936 /nfs/dbraw/zinc/30/09/36/135300936.db2.gz XITLHSRDTLVUHM-UHFFFAOYSA-N 1 0 241.335 0.450 20 30 BCEDRO CCOC(C)(C)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262470131 135301088 /nfs/dbraw/zinc/30/10/88/135301088.db2.gz ORRPLWHOJPQOHS-JTQLQIEISA-N 1 0 243.351 0.837 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC1(C)C ZINC000262470787 135301267 /nfs/dbraw/zinc/30/12/67/135301267.db2.gz YZYVGFVTKSQWGA-IUCAKERBSA-N 1 0 213.325 0.972 20 30 BCEDRO CN(C)[C@]1(CNC2=[NH+]CCN2C)CCSC1 ZINC000262477868 135301515 /nfs/dbraw/zinc/30/15/15/135301515.db2.gz CLZZCVLBSCMRIS-NSHDSACASA-N 1 0 242.392 0.315 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CCCO1)NCC1(O)CCC1 ZINC000262478180 135301769 /nfs/dbraw/zinc/30/17/69/135301769.db2.gz PBQZNRCEWPOCAU-JTQLQIEISA-N 1 0 241.335 0.245 20 30 BCEDRO [NH2+]=C(NCC1CCC1)NCC1(O)CCC1 ZINC000262513752 135303423 /nfs/dbraw/zinc/30/34/23/135303423.db2.gz FFWXJLUUGRCSQP-UHFFFAOYSA-N 1 0 211.309 0.606 20 30 BCEDRO C[N@H+](CC[C@@H]1CCCO1)CC(=O)NCC#N ZINC000342612720 135303984 /nfs/dbraw/zinc/30/39/84/135303984.db2.gz YWPRZRXRJXRIKC-JTQLQIEISA-N 1 0 225.292 0.127 20 30 BCEDRO CN(C)C(=[NH+]C[C@]1(C)CCOC1)N(C)C ZINC000262515939 135304108 /nfs/dbraw/zinc/30/41/08/135304108.db2.gz GELSWZRYSZKRTL-NSHDSACASA-N 1 0 213.325 0.892 20 30 BCEDRO CN(C)C(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262540987 135304411 /nfs/dbraw/zinc/30/44/11/135304411.db2.gz RVLJWEWGNOANFY-DJLDLDEBSA-N 1 0 211.309 0.676 20 30 BCEDRO Cn1cnnc1CNC(=[NH2+])N1CCCCCC1 ZINC000262533524 135304839 /nfs/dbraw/zinc/30/48/39/135304839.db2.gz QAHGPSDCDHRZDK-UHFFFAOYSA-N 1 0 236.323 0.506 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@]1(C)CCOC1 ZINC000262537667 135304858 /nfs/dbraw/zinc/30/48/58/135304858.db2.gz QEWVCUKVMXYCCQ-NSHDSACASA-N 1 0 211.309 0.893 20 30 BCEDRO CCCNC(=[NH2+])NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000262580698 135306137 /nfs/dbraw/zinc/30/61/37/135306137.db2.gz QKEJNWULPRKDIZ-SECBINFHSA-N 1 0 238.335 0.312 20 30 BCEDRO C=CC1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000262592537 135306996 /nfs/dbraw/zinc/30/69/96/135306996.db2.gz WLDACJMLETXUDK-LBPRGKRZSA-N 1 0 238.331 0.790 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H](O)C2CCCCC2)N1 ZINC000262640974 135310399 /nfs/dbraw/zinc/31/03/99/135310399.db2.gz HUIUQWHSPKCONW-ONGXEEELSA-N 1 0 225.336 0.865 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC(=O)NC2CCCCC2)N1 ZINC000262642760 135310459 /nfs/dbraw/zinc/31/04/59/135310459.db2.gz IBZWVUKBXUUZIR-SECBINFHSA-N 1 0 238.335 0.373 20 30 BCEDRO CCn1cc(CNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000262644700 135311031 /nfs/dbraw/zinc/31/10/31/135311031.db2.gz IUKZMVWHCOEFKH-MRVPVSSYSA-N 1 0 207.281 0.340 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2nc(C(F)(F)F)n[nH]2)N1 ZINC000262644675 135311296 /nfs/dbraw/zinc/31/12/96/135311296.db2.gz ITYOXZMFAPYVMD-SCSAIBSYSA-N 1 0 248.212 0.261 20 30 BCEDRO Cc1ccc(CNC2=[NH+]C[C@H](C)N2)c(=O)n1C ZINC000262652145 135311326 /nfs/dbraw/zinc/31/13/26/135311326.db2.gz KSFRTNCUYSQDEP-QMMMGPOBSA-N 1 0 234.303 0.131 20 30 BCEDRO CC1(C)[C@H](NC(=[NH2+])NC2CC2)[C@H]2CCO[C@H]21 ZINC000262665133 135311671 /nfs/dbraw/zinc/31/16/71/135311671.db2.gz NBAXAFHVNUMAIE-OPRDCNLKSA-N 1 0 223.320 0.867 20 30 BCEDRO C[C@@H]1C[NH+]=C(N[C@@H]2[C@@H]3CCO[C@H]3C23CCC3)N1 ZINC000262680728 135312720 /nfs/dbraw/zinc/31/27/20/135312720.db2.gz WBTHLRDNAFPTBB-LMLFDSFASA-N 1 0 235.331 0.881 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCOC(F)(F)F)N1 ZINC000262676742 135313370 /nfs/dbraw/zinc/31/33/70/135313370.db2.gz UITIFQRNWFPFGL-RXMQYKEDSA-N 1 0 211.187 0.460 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC1([S@](C)=O)CCC1 ZINC000262693121 135313616 /nfs/dbraw/zinc/31/36/16/135313616.db2.gz COEMGOPCFAAZMM-ABKXIKBNSA-N 1 0 245.392 0.990 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C)[C@H]1C ZINC000342712287 135313634 /nfs/dbraw/zinc/31/36/34/135313634.db2.gz MQLMYTYVQKOREG-SDDRHHMPSA-N 1 0 239.363 0.749 20 30 BCEDRO CO[C@H](CNC1=[NH+]C[C@H](C)N1)C(C)(C)C ZINC000262687741 135313668 /nfs/dbraw/zinc/31/36/68/135313668.db2.gz ZBFBAEJHQBHCHX-DTWKUNHWSA-N 1 0 213.325 0.985 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC1([S@@](C)=O)CCC1 ZINC000262693123 135314066 /nfs/dbraw/zinc/31/40/66/135314066.db2.gz COEMGOPCFAAZMM-JDNHERCYSA-N 1 0 245.392 0.990 20 30 BCEDRO Cc1cc(CNC(N)=[NH2+])nc(N2CCCC2)n1 ZINC000262690224 135314182 /nfs/dbraw/zinc/31/41/82/135314182.db2.gz GDWVQDGTVBXXJA-UHFFFAOYSA-N 1 0 234.307 0.159 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCC1([S@](C)=O)CCC1 ZINC000262693122 135314242 /nfs/dbraw/zinc/31/42/42/135314242.db2.gz COEMGOPCFAAZMM-FVMDXXJSSA-N 1 0 245.392 0.990 20 30 BCEDRO CCn1cccc(CNC(NC)=[NH+]C)c1=O ZINC000262702874 135314441 /nfs/dbraw/zinc/31/44/41/135314441.db2.gz BAWLAHXXUMIXCX-UHFFFAOYSA-N 1 0 222.292 0.163 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCC1CC(F)(F)C1 ZINC000262723657 135315772 /nfs/dbraw/zinc/31/57/72/135315772.db2.gz XKKXEXXAUJSOBF-SSDOTTSWSA-N 1 0 235.278 0.971 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@]1(O)CCc2ccccc21 ZINC000262758618 135317096 /nfs/dbraw/zinc/31/70/96/135317096.db2.gz CNZQHEDAFGWRFG-CQSZACIVSA-N 1 0 245.326 0.911 20 30 BCEDRO CN(C)C(=[NH+]Cc1ccc(C(N)=O)nc1)N(C)C ZINC000262758366 135317267 /nfs/dbraw/zinc/31/72/67/135317267.db2.gz QKBLJMAHSNOIDQ-UHFFFAOYSA-N 1 0 249.318 0.160 20 30 BCEDRO CC[C@@H]1C[C@H]1NC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262772428 135317423 /nfs/dbraw/zinc/31/74/23/135317423.db2.gz HOMFWUNNLDDSGZ-IVZWLZJFSA-N 1 0 211.309 0.820 20 30 BCEDRO C[S@@](=O)C1(CNC(=[NH2+])NC2CC2)CCC1 ZINC000262796947 135318814 /nfs/dbraw/zinc/31/88/14/135318814.db2.gz LWLBBRKIJJTSNJ-OAHLLOKOSA-N 1 0 229.349 0.354 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1CCC=CO1 ZINC000262805852 135319141 /nfs/dbraw/zinc/31/91/41/135319141.db2.gz NLLSAZMTTICKDC-GHMZBOCLSA-N 1 0 239.319 0.762 20 30 BCEDRO CSc1nnc(CNC(=[NH2+])N(C)C)s1 ZINC000262797680 135319145 /nfs/dbraw/zinc/31/91/45/135319145.db2.gz PYNNQDJUFMPRQW-UHFFFAOYSA-N 1 0 231.350 0.636 20 30 BCEDRO CN(C)C(=[NH+]CC1(CO)CCOCC1)N(C)C ZINC000262832344 135320585 /nfs/dbraw/zinc/32/05/85/135320585.db2.gz RUEYMXRRFMKXDV-UHFFFAOYSA-N 1 0 243.351 0.255 20 30 BCEDRO CCn1cccc(CNC(=[NH2+])NC2CC2)c1=O ZINC000262854527 135321694 /nfs/dbraw/zinc/32/16/94/135321694.db2.gz SSRRJYNYGCGRAJ-UHFFFAOYSA-N 1 0 234.303 0.435 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000334166548 135323504 /nfs/dbraw/zinc/32/35/04/135323504.db2.gz AQJIULIILQCLQG-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO [NH2+]=C(NCc1cccnn1)NC[C@@H]1CCCO1 ZINC000262989440 135325928 /nfs/dbraw/zinc/32/59/28/135325928.db2.gz VHFNZOFCXLKNIY-JTQLQIEISA-N 1 0 235.291 0.060 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2C[C@H](C)O[C@H]2C)N1 ZINC000263078022 135331189 /nfs/dbraw/zinc/33/11/89/135331189.db2.gz HHYLYLAQYCEZQZ-KATARQTJSA-N 1 0 211.309 0.737 20 30 BCEDRO [NH2+]=C(N[C@H]1C[C@@H](O)C1)N1CCCCCC1 ZINC000263126299 135335002 /nfs/dbraw/zinc/33/50/02/135335002.db2.gz MNKNGUDIEKGTKU-AOOOYVTPSA-N 1 0 211.309 0.700 20 30 BCEDRO Cc1ccnc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000263137941 135335149 /nfs/dbraw/zinc/33/51/49/135335149.db2.gz NWYCZJZCITWVIX-UHFFFAOYSA-N 1 0 234.303 0.537 20 30 BCEDRO CCn1ccnc1C[NH+]=C(N(C)C)N(C)C ZINC000263153914 135336208 /nfs/dbraw/zinc/33/62/08/135336208.db2.gz PTOMAMABDFLBDQ-UHFFFAOYSA-N 1 0 223.324 0.882 20 30 BCEDRO NC(=O)CC1(CNC(=[NH2+])NC2CCCC2)CC1 ZINC000263167083 135337045 /nfs/dbraw/zinc/33/70/45/135337045.db2.gz RKYWEABTGIBUDW-UHFFFAOYSA-N 1 0 238.335 0.489 20 30 BCEDRO CC(C)CNC(=[NH2+])NCC1=CCOCC1 ZINC000263206899 135339104 /nfs/dbraw/zinc/33/91/04/135339104.db2.gz YJZFWEOKIUPTPY-UHFFFAOYSA-N 1 0 211.309 0.893 20 30 BCEDRO CO[C@H](CNC(=[NH2+])N(C)C1CC1)C1CC1 ZINC000263209670 135339314 /nfs/dbraw/zinc/33/93/14/135339314.db2.gz YUUDJCUOPCPCMB-SNVBAGLBSA-N 1 0 211.309 0.820 20 30 BCEDRO [NH2+]=C(NCc1ncccc1O)N1CCC1 ZINC000263205512 135339665 /nfs/dbraw/zinc/33/96/65/135339665.db2.gz YDJMZBSEZBMSHR-UHFFFAOYSA-N 1 0 206.249 0.308 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCC2(C#N)CCC2)CCO1 ZINC000263214904 135340215 /nfs/dbraw/zinc/34/02/15/135340215.db2.gz ZSTSFFBDNDSHDB-JTQLQIEISA-N 1 0 236.319 0.716 20 30 BCEDRO CC#CCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000343013798 135344594 /nfs/dbraw/zinc/34/45/94/135344594.db2.gz FGHNPIYVILYSDO-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)NC1CC(F)(F)C1 ZINC000263289491 135348982 /nfs/dbraw/zinc/34/89/82/135348982.db2.gz VWCDBLDKGFZEEJ-QMMMGPOBSA-N 1 0 233.262 0.867 20 30 BCEDRO CNC(NCCNc1ccccn1)=[NH+]C ZINC000264143433 135361909 /nfs/dbraw/zinc/36/19/09/135361909.db2.gz XCHVPHCPVSRGIV-UHFFFAOYSA-N 1 0 207.281 0.288 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CCN(C(C)=O)CC1 ZINC000268653749 135364401 /nfs/dbraw/zinc/36/44/01/135364401.db2.gz PIICQMGWSYYVGV-GFCCVEGCSA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1c(C)cnn1C ZINC000286116982 135372677 /nfs/dbraw/zinc/37/26/77/135372677.db2.gz UPGBHJHDQIPNNG-UHFFFAOYSA-N 1 0 222.292 0.120 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)c1ccc(=O)[nH]n1 ZINC000286121635 135373136 /nfs/dbraw/zinc/37/31/36/135373136.db2.gz NPZOENFHTUMISB-SECBINFHSA-N 1 0 237.328 0.787 20 30 BCEDRO Cn1nncc1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000287443153 135373149 /nfs/dbraw/zinc/37/31/49/135373149.db2.gz UNAMFJOFDFWGDF-NXEZZACHSA-N 1 0 219.292 0.987 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000289677733 135374078 /nfs/dbraw/zinc/37/40/78/135374078.db2.gz HNKXNNCGNZESHC-GHMZBOCLSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293177031 135376816 /nfs/dbraw/zinc/37/68/16/135376816.db2.gz PNKXNHDCMKIUCN-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCOC1(C)C ZINC000293764704 135376857 /nfs/dbraw/zinc/37/68/57/135376857.db2.gz PESQBFINKDJRKM-SNVBAGLBSA-N 1 0 224.304 0.283 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000294543972 135377850 /nfs/dbraw/zinc/37/78/50/135377850.db2.gz KLAIAZOCEWDFOI-QWRGUYRKSA-N 1 0 226.320 0.823 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)CCCSCC#N ZINC000081554622 135387606 /nfs/dbraw/zinc/38/76/06/135387606.db2.gz CFHRCSRVUSDECN-SNVBAGLBSA-N 1 0 243.376 0.947 20 30 BCEDRO CCSCC[NH+]1CCN(CC#N)CC1 ZINC000072516219 135389161 /nfs/dbraw/zinc/38/91/61/135389161.db2.gz QCILNJGHTSOPHH-UHFFFAOYSA-N 1 0 213.350 0.881 20 30 BCEDRO C[C@H](O)CCNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000330616243 135481623 /nfs/dbraw/zinc/48/16/23/135481623.db2.gz VNGMOEWGIIIIOK-AXFHLTTASA-N 1 0 243.351 0.744 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCCO ZINC000282008162 135514751 /nfs/dbraw/zinc/51/47/51/135514751.db2.gz XWOZQXWWAHXZMY-GFCCVEGCSA-N 1 0 240.347 0.890 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000231040557 135576973 /nfs/dbraw/zinc/57/69/73/135576973.db2.gz AHFDVNFHAVFBQV-QWRGUYRKSA-N 1 0 228.336 0.674 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000193461187 135595757 /nfs/dbraw/zinc/59/57/57/135595757.db2.gz QQGGNJPMXQJHCB-UWVGGRQHSA-N 1 0 232.349 0.622 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000294530149 135677017 /nfs/dbraw/zinc/67/70/17/135677017.db2.gz ZGYQERDWOOCNBH-SNVBAGLBSA-N 1 0 226.320 0.481 20 30 BCEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000347758860 136012114 /nfs/dbraw/zinc/01/21/14/136012114.db2.gz YYEOAHHIVYTSLJ-QWRGUYRKSA-N 1 0 223.320 0.946 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000348061619 136024698 /nfs/dbraw/zinc/02/46/98/136024698.db2.gz UESIKBJONIUSMK-SNVBAGLBSA-N 1 0 227.308 0.322 20 30 BCEDRO C=CCOCCC[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000348027843 136026986 /nfs/dbraw/zinc/02/69/86/136026986.db2.gz FWUGQOJLZVYLGV-WDEREUQCSA-N 1 0 242.319 0.154 20 30 BCEDRO C=CCOCCC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000348034793 136028244 /nfs/dbraw/zinc/02/82/44/136028244.db2.gz ODSNTQIOVKJGOA-LLVKDONJSA-N 1 0 239.319 0.289 20 30 BCEDRO C=CCOCCC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000348034795 136028419 /nfs/dbraw/zinc/02/84/19/136028419.db2.gz ODSNTQIOVKJGOA-NSHDSACASA-N 1 0 239.319 0.289 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000335313591 136031384 /nfs/dbraw/zinc/03/13/84/136031384.db2.gz QNAPKIWXXXBTHT-STQMWFEESA-N 1 0 222.332 0.805 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@@H](O)C[C@@H]1CO ZINC000348054928 136032085 /nfs/dbraw/zinc/03/20/85/136032085.db2.gz ZFPWKEZZLVGZGA-MNOVXSKESA-N 1 0 215.293 0.007 20 30 BCEDRO C=CCOCCC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000348172768 136042532 /nfs/dbraw/zinc/04/25/32/136042532.db2.gz ZCIQNPOHGSUGSL-CYBMUJFWSA-N 1 0 238.331 0.791 20 30 BCEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)NCCC#N)C2)C1 ZINC000335320101 136049444 /nfs/dbraw/zinc/04/94/44/136049444.db2.gz HMUHWSJCGBTCIZ-LBPRGKRZSA-N 1 0 236.319 0.637 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H]2CCC[C@H]21 ZINC000335399628 136093898 /nfs/dbraw/zinc/09/38/98/136093898.db2.gz LFOMYPGLHAASKK-VHSXEESVSA-N 1 0 207.277 0.501 20 30 BCEDRO CC(C)[N@@H+]1CC[C@H](N(C)C(=O)CC#N)C1 ZINC000335584193 136101118 /nfs/dbraw/zinc/10/11/18/136101118.db2.gz RHCKJEHNGMCDHB-JTQLQIEISA-N 1 0 209.293 0.841 20 30 BCEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C(=O)CC#N)C1 ZINC000335584194 136101218 /nfs/dbraw/zinc/10/12/18/136101218.db2.gz RHCKJEHNGMCDHB-SNVBAGLBSA-N 1 0 209.293 0.841 20 30 BCEDRO Cn1cc(C[NH2+]C(C)(C)CO)cc1C#N ZINC000189579824 397798275 /nfs/dbraw/zinc/79/82/75/397798275.db2.gz UXJMOJJPWLXDLK-UHFFFAOYSA-N 1 0 207.277 0.757 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)[C@H](C)N1CCOCC1 ZINC000491749063 397867113 /nfs/dbraw/zinc/86/71/13/397867113.db2.gz SEWQDLNOTIILKG-MNOVXSKESA-N 1 0 224.304 0.187 20 30 BCEDRO COCCCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151394 397944004 /nfs/dbraw/zinc/94/40/04/397944004.db2.gz ODTPDUQSJUZNLZ-NSHDSACASA-N 1 0 212.293 0.763 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000599938874 398045773 /nfs/dbraw/zinc/04/57/73/398045773.db2.gz SCTSRCPGGLNFQQ-SECBINFHSA-N 1 0 224.308 0.539 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000649626696 398008740 /nfs/dbraw/zinc/00/87/40/398008740.db2.gz IHERYKNWMLNLII-UWVGGRQHSA-N 1 0 210.277 0.152 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000647930699 398012373 /nfs/dbraw/zinc/01/23/73/398012373.db2.gz NLUXTJBPLXHJSG-VXGBXAGGSA-N 1 0 239.363 0.607 20 30 BCEDRO COCCC[N@H+](C)CCNC(=O)[C@H](C)CC#N ZINC000597294164 398013956 /nfs/dbraw/zinc/01/39/56/398013956.db2.gz LRQJTFCLECTYAU-LLVKDONJSA-N 1 0 241.335 0.621 20 30 BCEDRO C#CC[N@@H+](CCN1CCO[C@@H](C)C1)C1CC1 ZINC000491146658 398032567 /nfs/dbraw/zinc/03/25/67/398032567.db2.gz OUBNBLJCESZBRR-LBPRGKRZSA-N 1 0 222.332 0.805 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)O[C@H](C)[C@H]1C ZINC000491119437 398032721 /nfs/dbraw/zinc/03/27/21/398032721.db2.gz ISIXQLDUEUFHGC-QJPTWQEYSA-N 1 0 238.331 0.624 20 30 BCEDRO CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H](C)CO ZINC000598617321 398032787 /nfs/dbraw/zinc/03/27/87/398032787.db2.gz IJLRHICZZJTBIS-MNOVXSKESA-N 1 0 228.336 0.990 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000491229500 398034391 /nfs/dbraw/zinc/03/43/91/398034391.db2.gz HOQNJEQNSACXAI-WCQYABFASA-N 1 0 249.358 0.198 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC[C@@H](F)C1 ZINC000491408269 398040259 /nfs/dbraw/zinc/04/02/59/398040259.db2.gz VCOPJWPFUKMAKX-NXEZZACHSA-N 1 0 212.268 0.606 20 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20 30 BCEDRO Cn1cncc1C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000352453027 398086514 /nfs/dbraw/zinc/08/65/14/398086514.db2.gz JUEGICQRALKNPJ-UHFFFAOYSA-N 1 0 229.287 0.920 20 30 BCEDRO C#CC(C)(C)[N@H+](C)CC[C@H]1CCNC1=O ZINC000491637954 398051469 /nfs/dbraw/zinc/05/14/69/398051469.db2.gz XKKIHCDAGXTOIB-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000491637685 398051508 /nfs/dbraw/zinc/05/15/08/398051508.db2.gz WIWXMLDMCNRNAQ-NSHDSACASA-N 1 0 232.287 0.171 20 30 BCEDRO COCC#CC[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000649707690 398054664 /nfs/dbraw/zinc/05/46/64/398054664.db2.gz CCRWSJAMWFPTPN-STQMWFEESA-N 1 0 238.331 0.041 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC(=O)OC(C)C ZINC000491667276 398056702 /nfs/dbraw/zinc/05/67/02/398056702.db2.gz XPBKMFUDADDWRN-UHFFFAOYSA-N 1 0 240.303 0.057 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)[C@H](CC)[NH+](C)C ZINC000491667582 398057599 /nfs/dbraw/zinc/05/75/99/398057599.db2.gz LLAPNRCLLLHISV-MNOVXSKESA-N 1 0 224.304 0.187 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C(F)(F)F ZINC000192239540 398107147 /nfs/dbraw/zinc/10/71/47/398107147.db2.gz IAOFEBJAZMMRBL-UHFFFAOYSA-N 1 0 222.210 0.620 20 30 BCEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(C#N)nn1 ZINC000611256823 398125828 /nfs/dbraw/zinc/12/58/28/398125828.db2.gz AONOIJOQLFEHBX-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO COCC[N@@H+](CC(=O)NCC#N)CC(C)C ZINC000066492882 398123135 /nfs/dbraw/zinc/12/31/35/398123135.db2.gz JLSDGWFDIYLDNJ-UHFFFAOYSA-N 1 0 227.308 0.231 20 30 BCEDRO CNC(=O)[C@H]1CCCC[N@@H+]1CCCC#N ZINC000042422115 173306118 /nfs/dbraw/zinc/30/61/18/173306118.db2.gz RWYMIZMQQGVJCG-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000669362868 487558224 /nfs/dbraw/zinc/55/82/24/487558224.db2.gz GEYCZJQDNRYCSS-WCQYABFASA-N 1 0 240.347 0.724 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000668800603 487561035 /nfs/dbraw/zinc/56/10/35/487561035.db2.gz UZZDVTQLIMTIAD-DGCLKSJQSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000685636835 487568601 /nfs/dbraw/zinc/56/86/01/487568601.db2.gz HIGUPPDARNGFBU-CMPLNLGQSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H](C)[NH2+]C2CC2)nn1 ZINC000424204113 487575075 /nfs/dbraw/zinc/57/50/75/487575075.db2.gz DLOIKHDQUXCQLG-SECBINFHSA-N 1 0 249.318 0.221 20 30 BCEDRO C#CCC[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000272998757 166148967 /nfs/dbraw/zinc/14/89/67/166148967.db2.gz MHIOPQGVIZVTRB-GFCCVEGCSA-N 1 0 234.274 0.835 20 30 BCEDRO C#CCN(C)C(=O)[C@@H]1CCCC[N@H+]1CC ZINC000191028109 166157009 /nfs/dbraw/zinc/15/70/09/166157009.db2.gz XIYRLKAUJWDEGP-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCCC[NH+]1CCN(C(=O)COC)CC1 ZINC000271035874 166130158 /nfs/dbraw/zinc/13/01/58/166130158.db2.gz LRYPQUQLMGTWJM-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO C#CCCC[N@H+]1CCCN(C(C)=O)CC1 ZINC000161073820 166130998 /nfs/dbraw/zinc/13/09/98/166130998.db2.gz ZMTFYOWMZOTXMG-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2ccn(C)n2)CC1 ZINC000271991794 166137767 /nfs/dbraw/zinc/13/77/67/166137767.db2.gz FDMHAFHHKOSVRM-UHFFFAOYSA-N 1 0 232.331 0.561 20 30 BCEDRO C=CC[C@]1(C(=O)NCCOC)CCC[NH2+]1 ZINC000662428515 409711571 /nfs/dbraw/zinc/71/15/71/409711571.db2.gz CVDHTOMNRHUBJV-LLVKDONJSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000660840403 409829848 /nfs/dbraw/zinc/82/98/48/409829848.db2.gz JFLVBICOZCBROU-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000662628793 409801554 /nfs/dbraw/zinc/80/15/54/409801554.db2.gz USPIGVQPGQIBIZ-SECBINFHSA-N 1 0 234.303 0.793 20 30 BCEDRO C=CCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000660835707 409819611 /nfs/dbraw/zinc/81/96/11/409819611.db2.gz HGBPIEWRETWXCQ-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000653138860 409860653 /nfs/dbraw/zinc/86/06/53/409860653.db2.gz MEZNJQOOYCGHHB-GARJFASQSA-N 1 0 226.320 0.285 20 30 BCEDRO C=CCC1(NC(=O)C[NH2+]C)CCOCC1 ZINC000662874592 409961914 /nfs/dbraw/zinc/96/19/14/409961914.db2.gz PITMKWGMBITMPP-UHFFFAOYSA-N 1 0 212.293 0.447 20 30 BCEDRO N#CCC[N@@H+](C[C@@H](O)Cn1cccn1)CC1CC1 ZINC000081514669 410075842 /nfs/dbraw/zinc/07/58/42/410075842.db2.gz ILXITSPXWKULLW-CYBMUJFWSA-N 1 0 248.330 0.870 20 30 BCEDRO CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000661155657 410309298 /nfs/dbraw/zinc/30/92/98/410309298.db2.gz VIMWIYHAXUIAPF-NWDGAFQWSA-N 1 0 224.304 0.952 20 30 BCEDRO C#CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173892373 166176456 /nfs/dbraw/zinc/17/64/56/166176456.db2.gz PGCKFBPRXZLGMH-WDEREUQCSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCNC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000083018428 166177394 /nfs/dbraw/zinc/17/73/94/166177394.db2.gz SKCSVOOZLMDVCQ-LLVKDONJSA-N 1 0 223.320 0.603 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000272274703 166177475 /nfs/dbraw/zinc/17/74/75/166177475.db2.gz YZTNRUSIMKHBBW-GHMZBOCLSA-N 1 0 221.304 0.355 20 30 BCEDRO C#CC[NH2+]CC(=O)N(C)Cc1cccs1 ZINC000087555771 166187121 /nfs/dbraw/zinc/18/71/21/166187121.db2.gz SPQFTYUUMMOOCD-UHFFFAOYSA-N 1 0 222.313 0.929 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]C(CO)CO ZINC000087751990 166199674 /nfs/dbraw/zinc/19/96/74/166199674.db2.gz QRJXHMBXBVKBDQ-UHFFFAOYSA-N 1 0 235.283 0.141 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000274839394 166208993 /nfs/dbraw/zinc/20/89/93/166208993.db2.gz UATZSOGJTMSGOS-ZJUUUORDSA-N 1 0 211.309 0.648 20 30 BCEDRO C=CCCCN(C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000158405777 166232641 /nfs/dbraw/zinc/23/26/41/166232641.db2.gz NSJWPASCFCCBPJ-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000189595033 166234442 /nfs/dbraw/zinc/23/44/42/166234442.db2.gz LZZPTKCEBHNAPR-MNOVXSKESA-N 1 0 227.304 0.951 20 30 BCEDRO C=CCCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000271503639 166235517 /nfs/dbraw/zinc/23/55/17/166235517.db2.gz DKWYSVMWZRAWBH-SECBINFHSA-N 1 0 214.334 0.855 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)NC(=O)NCC ZINC000276351273 166257661 /nfs/dbraw/zinc/25/76/61/166257661.db2.gz DHKAFVVLPVFTKP-UHFFFAOYSA-N 1 0 213.281 0.340 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237621089 166272043 /nfs/dbraw/zinc/27/20/43/166272043.db2.gz XJCODZBMWZPKNT-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC(C)(C)C[NH3+] ZINC000261591176 166272998 /nfs/dbraw/zinc/27/29/98/166272998.db2.gz VCUAXQJIPNYSQR-VIFPVBQESA-N 1 0 214.309 0.821 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127878334 166273292 /nfs/dbraw/zinc/27/32/92/166273292.db2.gz WLSQENZNGDZWNY-VHSXEESVSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000269114797 166273326 /nfs/dbraw/zinc/27/33/26/166273326.db2.gz HBASEXTXQONAGG-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[NH2+]CC1 ZINC000159449407 166275112 /nfs/dbraw/zinc/27/51/12/166275112.db2.gz DMPWTMJSYXLNAO-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@@H](C)C[NH3+] ZINC000237347407 166275416 /nfs/dbraw/zinc/27/54/16/166275416.db2.gz VPEABRNIUXYBRB-VHSXEESVSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+]CCOC ZINC000271181338 166275325 /nfs/dbraw/zinc/27/53/25/166275325.db2.gz VZMIYGGZHIDYEX-LLVKDONJSA-N 1 0 244.335 0.320 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+](C)CCN1CCOCC1 ZINC000305048484 166297166 /nfs/dbraw/zinc/29/71/66/166297166.db2.gz BORXXAGFVRYHCG-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@](F)(C(=O)OC)C1 ZINC000268435656 166297778 /nfs/dbraw/zinc/29/77/78/166297778.db2.gz DZUOGWWHJRANAQ-PWSUYJOCSA-N 1 0 245.294 0.901 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCCN(C=O)CC1 ZINC000294200944 166298062 /nfs/dbraw/zinc/29/80/62/166298062.db2.gz LUBCMMQJECPVHH-GFCCVEGCSA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000268597017 166298216 /nfs/dbraw/zinc/29/82/16/166298216.db2.gz WRFJYMCMYSWFJC-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000336661930 166304157 /nfs/dbraw/zinc/30/41/57/166304157.db2.gz CKYCTYPDXFDKPK-TUAOUCFPSA-N 1 0 229.320 0.443 20 30 BCEDRO C=CCN(C)C(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000274983564 166317470 /nfs/dbraw/zinc/31/74/70/166317470.db2.gz FTRZLAYHMRWAMG-LLVKDONJSA-N 1 0 241.335 0.535 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H]([NH2+]C)c1cnn(C)c1 ZINC000262292695 166329977 /nfs/dbraw/zinc/32/99/77/166329977.db2.gz YRRXMEBIIANCOI-LBPRGKRZSA-N 1 0 248.330 0.881 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC000171718990 166352305 /nfs/dbraw/zinc/35/23/05/166352305.db2.gz FARZOLDILNXEEO-UHFFFAOYSA-N 1 0 234.303 0.790 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352659911 166366856 /nfs/dbraw/zinc/36/68/56/166366856.db2.gz LOHGRQISMHDMRO-ZJUUUORDSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277699888 166357776 /nfs/dbraw/zinc/35/77/76/166357776.db2.gz HQOGZYWNSKXREJ-RYUDHWBXSA-N 1 0 221.304 0.614 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000264376331 166367040 /nfs/dbraw/zinc/36/70/40/166367040.db2.gz BTRFMTXNBJVBLC-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](SC)C1 ZINC000296075966 166367557 /nfs/dbraw/zinc/36/75/57/166367557.db2.gz CEDRDGORRCPADZ-SECBINFHSA-N 1 0 214.334 0.726 20 30 BCEDRO C=CCNC(=O)C[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000269699893 166367617 /nfs/dbraw/zinc/36/76/17/166367617.db2.gz LTPZSIWIPOUHJX-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)c1cn[nH]c1 ZINC000274142071 166369899 /nfs/dbraw/zinc/36/98/99/166369899.db2.gz XHVLCVYLDIDMQY-MRVPVSSYSA-N 1 0 208.265 0.363 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000274142073 166369985 /nfs/dbraw/zinc/36/99/85/166369985.db2.gz XHVLCVYLDIDMQY-QMMMGPOBSA-N 1 0 208.265 0.363 20 30 BCEDRO C=CCNC(=O)C[NH2+]C(C)(C)C(C)(C)O ZINC000271607085 166370155 /nfs/dbraw/zinc/37/01/55/166370155.db2.gz JNRYWNPTAKQNPE-UHFFFAOYSA-N 1 0 214.309 0.428 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CO)C(C)(C)C ZINC000265455710 166370620 /nfs/dbraw/zinc/37/06/20/166370620.db2.gz VNMJHYHLIGGLFN-VIFPVBQESA-N 1 0 214.309 0.285 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)CCn1cccn1 ZINC000159361907 166370770 /nfs/dbraw/zinc/37/07/70/166370770.db2.gz YIMQDXFSHBFXER-LLVKDONJSA-N 1 0 236.319 0.554 20 30 BCEDRO C=CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267110450 166379113 /nfs/dbraw/zinc/37/91/13/166379113.db2.gz NIFIBUDQKLMSJF-NSHDSACASA-N 1 0 243.376 0.909 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365105909 166382967 /nfs/dbraw/zinc/38/29/67/166382967.db2.gz BQTBZHXFOGLVAG-MFKMUULPSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CCCCO ZINC000276449630 166383162 /nfs/dbraw/zinc/38/31/62/166383162.db2.gz VUARVVIOWKPUDM-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(C2CC2)C1 ZINC000365105907 166388503 /nfs/dbraw/zinc/38/85/03/166388503.db2.gz BQTBZHXFOGLVAG-GWCFXTLKSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000166096568 166389072 /nfs/dbraw/zinc/38/90/72/166389072.db2.gz VPLJYLGEIVPSRK-GARJFASQSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](COC)C1 ZINC000265749813 166389529 /nfs/dbraw/zinc/38/95/29/166389529.db2.gz FEPMFZYQFXUVOF-QWRGUYRKSA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]Cc1c[nH]nc1C ZINC000272788443 166424934 /nfs/dbraw/zinc/42/49/34/166424934.db2.gz BTODCHYWMZSXBU-UHFFFAOYSA-N 1 0 243.332 0.409 20 30 BCEDRO CC[NH+](CC)CC(=O)N[C@]1(C#N)CCOC1 ZINC000337610436 169768999 /nfs/dbraw/zinc/76/89/99/169768999.db2.gz VRRRBKMNTHRYCH-NSHDSACASA-N 1 0 225.292 0.127 20 30 BCEDRO CC[C@H]1[NH2+]CC[C@H]1C(=O)Nc1n[nH]cc1C#N ZINC000583629586 410723432 /nfs/dbraw/zinc/72/34/32/410723432.db2.gz OUTFQPDYLAQAKV-RKDXNWHRSA-N 1 0 233.275 0.608 20 30 BCEDRO C=CCNC(=O)CNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399630685 411051227 /nfs/dbraw/zinc/05/12/27/411051227.db2.gz GBLSNYKIUMIPFJ-ONGXEEELSA-N 1 0 241.335 0.024 20 30 BCEDRO C=CCCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000659563613 411176163 /nfs/dbraw/zinc/17/61/63/411176163.db2.gz YHUYCDIBNYDHOK-VHSXEESVSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)Cn1cncn1 ZINC000657974461 411184569 /nfs/dbraw/zinc/18/45/69/411184569.db2.gz PATOCAYEBHWKCB-NXEZZACHSA-N 1 0 210.281 0.193 20 30 BCEDRO C=CCNC(=O)CNc1ncnc(C)c1OC ZINC000656153585 411188326 /nfs/dbraw/zinc/18/83/26/411188326.db2.gz XNYAYFPQHJYALT-UHFFFAOYSA-N 1 0 236.275 0.508 20 30 BCEDRO C=CCOCCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000659596759 411200170 /nfs/dbraw/zinc/20/01/70/411200170.db2.gz KQZBUQUUNDNHSD-JTQLQIEISA-N 1 0 229.324 0.568 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H](C)Cn1cncn1 ZINC000658032670 411210271 /nfs/dbraw/zinc/21/02/71/411210271.db2.gz VZGWQPNOXBOIIM-GHMZBOCLSA-N 1 0 224.308 0.583 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)Cn1cncn1 ZINC000658038060 411214467 /nfs/dbraw/zinc/21/44/67/411214467.db2.gz LCSAWXLZVUPWJB-SRVKXCTJSA-N 1 0 236.319 0.847 20 30 BCEDRO C=CCCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000264701058 411229988 /nfs/dbraw/zinc/22/99/88/411229988.db2.gz DEVOSTBHYREFTQ-NSHDSACASA-N 1 0 225.336 0.315 20 30 BCEDRO C=CCCn1cc(CC[C@@H](O)C[NH3+])nn1 ZINC000656452221 411273397 /nfs/dbraw/zinc/27/33/97/411273397.db2.gz CONXWMLJMZSBJC-SNVBAGLBSA-N 1 0 210.281 0.106 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416307562 411274991 /nfs/dbraw/zinc/27/49/91/411274991.db2.gz LIYHERHIJPZREG-UHFFFAOYSA-N 1 0 246.314 0.721 20 30 BCEDRO C=C(CC)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000656452406 411275118 /nfs/dbraw/zinc/27/51/18/411275118.db2.gz GVYSXOODHQZTKL-UHFFFAOYSA-N 1 0 235.335 0.650 20 30 BCEDRO C=CCOCCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000658209745 411294429 /nfs/dbraw/zinc/29/44/29/411294429.db2.gz JYKUSXJBKWYWNK-JTQLQIEISA-N 1 0 235.349 0.602 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@](C)(O)C(=O)OCC ZINC000355082665 411309866 /nfs/dbraw/zinc/30/98/66/411309866.db2.gz VKEOUZHLARCYDS-NSHDSACASA-N 1 0 215.293 0.808 20 30 BCEDRO CCNC(=O)C(C)(C)[NH2+]CC#CCOC ZINC000656640983 411314696 /nfs/dbraw/zinc/31/46/96/411314696.db2.gz SNRMIKHQRRMMSE-UHFFFAOYSA-N 1 0 212.293 0.141 20 30 BCEDRO C[C@@H](CNc1nccnc1C#N)C[NH+](C)C ZINC000291776188 411315020 /nfs/dbraw/zinc/31/50/20/411315020.db2.gz HTYMLFCOGSJJLV-VIFPVBQESA-N 1 0 219.292 0.958 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000124961777 411332192 /nfs/dbraw/zinc/33/21/92/411332192.db2.gz UYLYTLROCCEHJF-UWVGGRQHSA-N 1 0 232.349 0.752 20 30 BCEDRO C=CCn1cc([C@@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000656445844 411255480 /nfs/dbraw/zinc/25/54/80/411255480.db2.gz WZSQRBPAKPQRDO-NXEZZACHSA-N 1 0 208.265 0.643 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CC(F)(F)F ZINC000662168832 411372865 /nfs/dbraw/zinc/37/28/65/411372865.db2.gz XCRMLEPIIXEAFG-RNFRBKRXSA-N 1 0 213.199 0.436 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000662168833 411371665 /nfs/dbraw/zinc/37/16/65/411371665.db2.gz XCRMLEPIIXEAFG-RQJHMYQMSA-N 1 0 213.199 0.436 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000662168469 411371711 /nfs/dbraw/zinc/37/17/11/411371711.db2.gz HMSWDYXNZZPNCQ-RQJHMYQMSA-N 1 0 213.199 0.436 20 30 BCEDRO C=CCC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000070591675 411336488 /nfs/dbraw/zinc/33/64/88/411336488.db2.gz JWRRSBUYYDFQAX-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCOCCCNC(=O)CC1([NH3+])CCC1 ZINC000659358990 411374803 /nfs/dbraw/zinc/37/48/03/411374803.db2.gz NLDMYNMWMZZOCY-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@H]([NH3+])COC(C)C ZINC000659261188 411382287 /nfs/dbraw/zinc/38/22/87/411382287.db2.gz XYSVFXSCKCNCOC-IUCAKERBSA-N 1 0 200.282 0.429 20 30 BCEDRO C=CCN(C)C(=O)[C@@H]([NH3+])COC(C)C ZINC000659310306 411391807 /nfs/dbraw/zinc/39/18/07/411391807.db2.gz YSQLJUSKMLYMHK-VIFPVBQESA-N 1 0 200.282 0.383 20 30 BCEDRO C=CCN(C(=O)CN1CC[NH2+]CC1)C1CC1 ZINC000131293315 411458751 /nfs/dbraw/zinc/45/87/51/411458751.db2.gz LZASVHHFBSAHAN-UHFFFAOYSA-N 1 0 223.320 0.069 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](SC)C1 ZINC000491451884 411393730 /nfs/dbraw/zinc/39/37/30/411393730.db2.gz ICJIRXJDGMJKBM-SNVBAGLBSA-N 1 0 226.345 0.563 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CC[NH2+][C@@H]1CC ZINC000659383225 411401442 /nfs/dbraw/zinc/40/14/42/411401442.db2.gz SCENVMIERMLKQQ-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000657092278 411403452 /nfs/dbraw/zinc/40/34/52/411403452.db2.gz SCVWVRLEUJFFJA-SNVBAGLBSA-N 1 0 234.365 0.822 20 30 BCEDRO C=CCCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389495 411409922 /nfs/dbraw/zinc/40/99/22/411409922.db2.gz VKPGLVNCGBRJSS-RKDXNWHRSA-N 1 0 200.257 0.850 20 30 BCEDRO C=CCCOCCNC(=O)N[C@H](C)C[NH2+]C ZINC000659473031 411419219 /nfs/dbraw/zinc/41/92/19/411419219.db2.gz DUFZEROGDAHYRD-SNVBAGLBSA-N 1 0 229.324 0.486 20 30 BCEDRO C=CCOCCNC(=O)N(C)CCC[NH3+] ZINC000659479566 411419415 /nfs/dbraw/zinc/41/94/15/411419415.db2.gz LILSDDPODAPBOF-UHFFFAOYSA-N 1 0 215.297 0.179 20 30 BCEDRO CC#CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659482186 411420513 /nfs/dbraw/zinc/42/05/13/411420513.db2.gz KCQZNSHPBXGCHO-UHFFFAOYSA-N 1 0 221.304 0.533 20 30 BCEDRO C=CCOCCCNC(=O)NCC1([NH3+])CCC1 ZINC000659529421 411430435 /nfs/dbraw/zinc/43/04/35/411430435.db2.gz KGLXETHGBHARPX-UHFFFAOYSA-N 1 0 241.335 0.760 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@@H]([NH3+])CC ZINC000659547547 411433652 /nfs/dbraw/zinc/43/36/52/411433652.db2.gz COPSBYYADHEDQH-JTQLQIEISA-N 1 0 229.324 0.616 20 30 BCEDRO C=CCOCCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000659552139 411434424 /nfs/dbraw/zinc/43/44/24/411434424.db2.gz XRDFZXWAIPXELS-NXEZZACHSA-N 1 0 229.324 0.614 20 30 BCEDRO C=CCCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000659562083 411436154 /nfs/dbraw/zinc/43/61/54/411436154.db2.gz FSOJALPFCHGOCR-ZJUUUORDSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CCCNC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000659561281 411436169 /nfs/dbraw/zinc/43/61/69/411436169.db2.gz ITFZORBFYKBKTJ-SNVBAGLBSA-N 1 0 227.308 0.322 20 30 BCEDRO C=CCCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000659562680 411436173 /nfs/dbraw/zinc/43/61/73/411436173.db2.gz LJUMSCZUBORQQE-GHMZBOCLSA-N 1 0 223.320 0.956 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122896488 411436989 /nfs/dbraw/zinc/43/69/89/411436989.db2.gz FPVXMUCYTSWZFN-SRVKXCTJSA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCOCCCNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000659596806 411439573 /nfs/dbraw/zinc/43/95/73/411439573.db2.gz LJCKEJJATUJLJV-LLVKDONJSA-N 1 0 241.335 0.569 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000659610070 411441488 /nfs/dbraw/zinc/44/14/88/411441488.db2.gz JZKYKEVXTHJMJC-WDEREUQCSA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000659610565 411441554 /nfs/dbraw/zinc/44/15/54/411441554.db2.gz NNHSHDVGGCOZMD-GHMZBOCLSA-N 1 0 241.335 0.568 20 30 BCEDRO CC#CCN(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659613954 411441576 /nfs/dbraw/zinc/44/15/76/411441576.db2.gz OZSARMGMDZIWJG-UHFFFAOYSA-N 1 0 221.304 0.403 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000659610069 411441637 /nfs/dbraw/zinc/44/16/37/411441637.db2.gz JZKYKEVXTHJMJC-QWRGUYRKSA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCCn1cc(CNCCC[NH+](C)C)nn1 ZINC000657287512 411446713 /nfs/dbraw/zinc/44/67/13/411446713.db2.gz PGUHIDVBVFDEET-UHFFFAOYSA-N 1 0 237.351 0.896 20 30 BCEDRO C=CCCn1cc(C[NH2+]CC2(C)COC2)nn1 ZINC000657359366 411477313 /nfs/dbraw/zinc/47/73/13/411477313.db2.gz VGJQEWIEKKVLFH-UHFFFAOYSA-N 1 0 236.319 0.980 20 30 BCEDRO C=CCCn1cc(C[NH2+]C(C)(C)CO)nn1 ZINC000657356049 411478322 /nfs/dbraw/zinc/47/83/22/411478322.db2.gz GGAAEBCZSVKCRE-UHFFFAOYSA-N 1 0 224.308 0.715 20 30 BCEDRO C=CCN(C(=O)N[C@@H](C)CC[NH3+])[C@H](C)COC ZINC000659530537 411490092 /nfs/dbraw/zinc/49/00/92/411490092.db2.gz SVYFBMIKVWRXOO-WDEREUQCSA-N 1 0 243.351 0.956 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000309481985 411498496 /nfs/dbraw/zinc/49/84/96/411498496.db2.gz DYUZDMKPHNNCEW-JGVFFNPUSA-N 1 0 218.247 0.922 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000659536667 411502045 /nfs/dbraw/zinc/50/20/45/411502045.db2.gz HQBXLQSLKZQPTD-LLVKDONJSA-N 1 0 243.351 0.876 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cnc2n1CCC2 ZINC000657427684 411503952 /nfs/dbraw/zinc/50/39/52/411503952.db2.gz DKYAACJALILIJK-UHFFFAOYSA-N 1 0 234.303 0.221 20 30 BCEDRO C=CCCn1cc(CN[C@@H](C)C[NH+](C)C)nn1 ZINC000657465597 411519213 /nfs/dbraw/zinc/51/92/13/411519213.db2.gz UZXUGPGTNFVHNR-NSHDSACASA-N 1 0 237.351 0.894 20 30 BCEDRO C=CCCNC(=O)NCCC[N@@H+](C)CCOC ZINC000660826771 411646917 /nfs/dbraw/zinc/64/69/17/411646917.db2.gz DAQFLIGMBOFXIU-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@H]1CNC(=O)C1 ZINC000660402488 411579735 /nfs/dbraw/zinc/57/97/35/411579735.db2.gz HSOYXSWROUDGKP-SNVBAGLBSA-N 1 0 212.293 0.257 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1(CCO)CCCC1 ZINC000660681107 411617126 /nfs/dbraw/zinc/61/71/26/411617126.db2.gz WASMLBHOJSLLSK-UHFFFAOYSA-N 1 0 226.320 0.573 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000660722033 411618721 /nfs/dbraw/zinc/61/87/21/411618721.db2.gz DXVPYDPXLIDMOI-FVCCEPFGSA-N 1 0 241.331 0.971 20 30 BCEDRO CC[NH+](CC)CCNc1ccc(C#N)c(N)n1 ZINC000594539267 411622327 /nfs/dbraw/zinc/62/23/27/411622327.db2.gz VWMWZKRCUCNRNC-UHFFFAOYSA-N 1 0 233.319 1.289 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661139480 411717005 /nfs/dbraw/zinc/71/70/05/411717005.db2.gz IWWABEKTABRGDA-LLVKDONJSA-N 1 0 204.277 0.623 20 30 BCEDRO Cc1ccc(NC[C@@H]2COCC[NH2+]2)nc1C#N ZINC000600954306 411691598 /nfs/dbraw/zinc/69/15/98/411691598.db2.gz XBTXUYARJABKBE-SNVBAGLBSA-N 1 0 232.287 0.662 20 30 BCEDRO Cc1ccc(NCC[C@@H](C)[NH3+])nc1C#N ZINC000420158721 411693731 /nfs/dbraw/zinc/69/37/31/411693731.db2.gz QXFMHHMHDTVVNK-SECBINFHSA-N 1 0 204.277 1.411 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)COC)[C@@H](C)COC ZINC000661240921 411741558 /nfs/dbraw/zinc/74/15/58/411741558.db2.gz SXOMHXUAFFEHLH-QWRGUYRKSA-N 1 0 217.309 0.517 20 30 BCEDRO C=CC[N@@H+](CCC(=O)NC)[C@@H](C)COC ZINC000661243644 411742707 /nfs/dbraw/zinc/74/27/07/411742707.db2.gz MBVQTKMHVKVEOT-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000661274224 411747856 /nfs/dbraw/zinc/74/78/56/411747856.db2.gz GLTSACOAXMTRAA-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO Cc1nc(NCC[NH+]2CCC2)ccc1C#N ZINC000336675423 411748287 /nfs/dbraw/zinc/74/82/87/411748287.db2.gz BJXMVRIMTFLQEQ-UHFFFAOYSA-N 1 0 216.288 1.379 20 30 BCEDRO COCC#CC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000683144753 487620569 /nfs/dbraw/zinc/62/05/69/487620569.db2.gz ABMJKWNLCQLDHO-UHFFFAOYSA-N 1 0 232.283 0.795 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@@H](COC)C1CCOCC1 ZINC000661158168 411722532 /nfs/dbraw/zinc/72/25/32/411722532.db2.gz MQYLNZFDUAURHF-STQMWFEESA-N 1 0 243.347 0.955 20 30 BCEDRO C=CCNC(=O)C[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661620918 411820883 /nfs/dbraw/zinc/82/08/83/411820883.db2.gz BGMBYKDMJMZQLY-NXEZZACHSA-N 1 0 226.320 0.237 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661627908 411823570 /nfs/dbraw/zinc/82/35/70/411823570.db2.gz RXVJFXAYAYRHIA-CYBMUJFWSA-N 1 0 223.316 0.873 20 30 BCEDRO C=CCC[N@H+]1CCc2cnc(N)nc2C1 ZINC000623292277 411840350 /nfs/dbraw/zinc/84/03/50/411840350.db2.gz IKNUDDGNPQICRO-UHFFFAOYSA-N 1 0 204.277 0.993 20 30 BCEDRO C=CC[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000647932362 411848684 /nfs/dbraw/zinc/84/86/84/411848684.db2.gz ZSKQSVTYZOTLGQ-UHFFFAOYSA-N 1 0 207.281 0.752 20 30 BCEDRO C=C(C)C[N@@H+]1CCc2nnc(N)cc2C1 ZINC000361946474 411849507 /nfs/dbraw/zinc/84/95/07/411849507.db2.gz XNYRHHIISSLKOB-UHFFFAOYSA-N 1 0 204.277 0.993 20 30 BCEDRO C=C[C@@H](CO)Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000357608303 411850967 /nfs/dbraw/zinc/85/09/67/411850967.db2.gz QXXJIBDLHYNTPP-QMMMGPOBSA-N 1 0 246.274 0.203 20 30 BCEDRO CC#CCC[N@@H+]1CCc2nnc(N)cc2C1 ZINC000375844211 411853171 /nfs/dbraw/zinc/85/31/71/411853171.db2.gz CIYKEBQEPALWHX-UHFFFAOYSA-N 1 0 216.288 0.830 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661716945 411853571 /nfs/dbraw/zinc/85/35/71/411853571.db2.gz JSLMMXIBXFZXHU-QJPTWQEYSA-N 1 0 211.305 0.770 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+]1CCC(=O)N(C)CC1 ZINC000661806509 411888210 /nfs/dbraw/zinc/88/82/10/411888210.db2.gz CUKJDJAJFLHPED-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCCCCC ZINC000662167889 411988929 /nfs/dbraw/zinc/98/89/29/411988929.db2.gz QKELWQZSIDCNHV-SNVBAGLBSA-N 1 0 214.309 0.429 20 30 BCEDRO C=C[C@H](CO)NCC[C@H]1CCCC[N@H+]1C ZINC000662166299 411999781 /nfs/dbraw/zinc/99/97/81/411999781.db2.gz ZKTHXZQNDHVEJX-VXGBXAGGSA-N 1 0 212.337 0.997 20 30 BCEDRO C=CCOCCNC(=O)NCC[C@H](C)[NH+](C)C ZINC000664621355 412000274 /nfs/dbraw/zinc/00/02/74/412000274.db2.gz OCDAQYLALWEAKP-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCCCCC1 ZINC000662163977 412014434 /nfs/dbraw/zinc/01/44/34/412014434.db2.gz QXDNKVLXYFNPMC-LLVKDONJSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@H](C)CC ZINC000662168135 412015586 /nfs/dbraw/zinc/01/55/86/412015586.db2.gz ZCFYPRWQJONTGO-RKDXNWHRSA-N 1 0 200.282 0.038 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@@H]1CCCC[C@H]1C ZINC000662167402 412015665 /nfs/dbraw/zinc/01/56/65/412015665.db2.gz CKKLCLSZFIPSCR-IJLUTSLNSA-N 1 0 240.347 0.818 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N(C)C(C)C ZINC000662167066 412015939 /nfs/dbraw/zinc/01/59/39/412015939.db2.gz QRHNHJHNRSRMFJ-VHSXEESVSA-N 1 0 214.309 0.378 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000662167355 412016802 /nfs/dbraw/zinc/01/68/02/412016802.db2.gz AXNNZJLUBCHBPT-GRYCIOLGSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCc1ccco1 ZINC000662167503 412016852 /nfs/dbraw/zinc/01/68/52/412016852.db2.gz GVGNBLTYXFXYCR-SECBINFHSA-N 1 0 224.260 0.032 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000662168767 412017907 /nfs/dbraw/zinc/01/79/07/412017907.db2.gz UBNNQFOUESTDRT-OLZOCXBDSA-N 1 0 239.290 0.866 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662038971 411954690 /nfs/dbraw/zinc/95/46/90/411954690.db2.gz OIKMXWFVYRGCNB-TUAOUCFPSA-N 1 0 238.331 0.645 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662038964 411956567 /nfs/dbraw/zinc/95/65/67/411956567.db2.gz OIKMXWFVYRGCNB-QJPTWQEYSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CCNC(=O)c1ccc(NCCCC[NH3+])nc1 ZINC000491764649 412043938 /nfs/dbraw/zinc/04/39/38/412043938.db2.gz DOJAXCDXGVEGDP-UHFFFAOYSA-N 1 0 246.314 0.595 20 30 BCEDRO C=CC[C@@H](CO)Nc1nc(C)nc(N(C)C)n1 ZINC000358510916 412138308 /nfs/dbraw/zinc/13/83/08/412138308.db2.gz XJZUVKPDICWIQF-VIFPVBQESA-N 1 0 237.307 0.595 20 30 BCEDRO C=CC[C@H](CO)CNc1ncnc(N)c1Cl ZINC000336687012 412138741 /nfs/dbraw/zinc/13/87/41/412138741.db2.gz UWSKMPUHZVCIJT-ZETCQYMHSA-N 1 0 242.710 1.309 20 30 BCEDRO C=CCN(C[C@H]1C[NH2+]CCO1)[C@@H](C)COC ZINC000662298834 412086434 /nfs/dbraw/zinc/08/64/34/412086434.db2.gz HQBOKFSYDWFSKK-NWDGAFQWSA-N 1 0 228.336 0.498 20 30 BCEDRO C=CCNC(=O)CN(C)[C@@H](C[NH3+])C(F)(F)F ZINC000662327394 412104459 /nfs/dbraw/zinc/10/44/59/412104459.db2.gz HYZOHBIQWJZUNM-ZETCQYMHSA-N 1 0 239.241 0.110 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@@H]([NH3+])COC(C)C ZINC000662465839 412184445 /nfs/dbraw/zinc/18/44/45/412184445.db2.gz SNSJARWPPLFZMS-ZJUUUORDSA-N 1 0 214.309 0.820 20 30 BCEDRO C=CC[C@@]1(C(=O)NCCOCC)CCC[NH2+]1 ZINC000662468878 412186638 /nfs/dbraw/zinc/18/66/38/412186638.db2.gz UZXPVHVGANZSJP-LBPRGKRZSA-N 1 0 226.320 0.837 20 30 BCEDRO C[NH+](C)[C@H](CNc1ccc(C#N)c(N)n1)C1CC1 ZINC000563898453 412194356 /nfs/dbraw/zinc/19/43/56/412194356.db2.gz KSLMCKLAPMEBJH-LLVKDONJSA-N 1 0 245.330 1.288 20 30 BCEDRO C=CC[C@]1(C(=O)NCc2cnn(C)c2)CCC[NH2+]1 ZINC000662530701 412206727 /nfs/dbraw/zinc/20/67/27/412206727.db2.gz AOTCHNLTNOMJAA-CYBMUJFWSA-N 1 0 248.330 0.735 20 30 BCEDRO C[NH+](C)C1(CNc2ccc(C#N)c(N)n2)CC1 ZINC000581200841 412152783 /nfs/dbraw/zinc/15/27/83/412152783.db2.gz SXYNLBXJDPDUGX-UHFFFAOYSA-N 1 0 231.303 1.042 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000522727309 412255331 /nfs/dbraw/zinc/25/53/31/412255331.db2.gz FJDLOMXJTSOWBD-JTQLQIEISA-N 1 0 247.302 0.687 20 30 BCEDRO C=CCOCCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000662662681 412261916 /nfs/dbraw/zinc/26/19/16/412261916.db2.gz BYKWWWQMNQTGHI-LLVKDONJSA-N 1 0 226.320 0.695 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1CCC[NH2+]1 ZINC000662663819 412262268 /nfs/dbraw/zinc/26/22/68/412262268.db2.gz KADIFEOSLBNVLL-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCOCCCNC(=O)CC[C@@H](C)[NH3+] ZINC000662663908 412262652 /nfs/dbraw/zinc/26/26/52/412262652.db2.gz MPCBLAVNSRFICQ-SNVBAGLBSA-N 1 0 214.309 0.823 20 30 BCEDRO N#Cc1ccc(NC2CC[NH2+]CC2)nc1N ZINC000596017002 412267377 /nfs/dbraw/zinc/26/73/77/412267377.db2.gz YMLYICGIUKCKAL-UHFFFAOYSA-N 1 0 217.276 0.699 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662710058 412274520 /nfs/dbraw/zinc/27/45/20/412274520.db2.gz FUODNVMSAFQBBL-PWSUYJOCSA-N 1 0 224.304 0.305 20 30 BCEDRO C=CC[C@]1(C(=O)N(C)[C@@H]2CCOC2)CCC[NH2+]1 ZINC000662578853 412227271 /nfs/dbraw/zinc/22/72/71/412227271.db2.gz WRWLLGRMRHSGGT-DGCLKSJQSA-N 1 0 238.331 0.932 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000578885642 412229795 /nfs/dbraw/zinc/22/97/95/412229795.db2.gz DQEVFACYYAELEO-VIFPVBQESA-N 1 0 247.302 1.247 20 30 BCEDRO C=CC[C@@]1(C(=O)NC[C@H](O)CCC)CCC[NH2+]1 ZINC000662596730 412233322 /nfs/dbraw/zinc/23/33/22/412233322.db2.gz UCHDWKQLTKPMFU-YPMHNXCESA-N 1 0 240.347 0.962 20 30 BCEDRO C=CC1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662593683 412234312 /nfs/dbraw/zinc/23/43/12/412234312.db2.gz MUHBKETZDJMJBQ-RYUDHWBXSA-N 1 0 238.331 0.775 20 30 BCEDRO C=CCCCN(C)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662616945 412243288 /nfs/dbraw/zinc/24/32/88/412243288.db2.gz QJPXLJDEUMHIEW-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCCCN(C)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662616944 412243531 /nfs/dbraw/zinc/24/35/31/412243531.db2.gz QJPXLJDEUMHIEW-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CCNc2cnccn2)C1 ZINC000442781458 412248525 /nfs/dbraw/zinc/24/85/25/412248525.db2.gz IWUWSZPIXUUKBN-QWRGUYRKSA-N 1 0 231.303 1.170 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662818601 412309377 /nfs/dbraw/zinc/30/93/77/412309377.db2.gz BLDUWYCMKXAEDP-NAKRPEOUSA-N 1 0 224.304 0.431 20 30 BCEDRO C=CC[C@]1(C(=O)NC/C=C/CO)CCC[NH2+]1 ZINC000662858822 412326337 /nfs/dbraw/zinc/32/63/37/412326337.db2.gz IJSRKUXAOMZGTG-AAOUONPWSA-N 1 0 224.304 0.349 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCC[NH+]1CCCC1 ZINC000665489510 412336600 /nfs/dbraw/zinc/33/66/00/412336600.db2.gz UUGAYSVPCBDHIH-SNVBAGLBSA-N 1 0 212.293 0.135 20 30 BCEDRO C=CCCC(C)(C)NC(=O)[C@@H]1C[NH2+]CCO1 ZINC000662953207 412353505 /nfs/dbraw/zinc/35/35/05/412353505.db2.gz LWCQYPXHGJYPQQ-JTQLQIEISA-N 1 0 226.320 0.836 20 30 BCEDRO CCC[NH2+][C@@H](C)C(=O)Nc1n[nH]cc1C#N ZINC000582784242 412357042 /nfs/dbraw/zinc/35/70/42/412357042.db2.gz BOXVUKKMYRBZKF-ZETCQYMHSA-N 1 0 221.264 0.608 20 30 BCEDRO CCn1nccc1C[NH2+]CCn1cnc(C#N)n1 ZINC000353013823 172271688 /nfs/dbraw/zinc/27/16/88/172271688.db2.gz BPWHIFQMLSXOIQ-UHFFFAOYSA-N 1 0 245.290 0.156 20 30 BCEDRO CN(C)C(=O)NCC[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000407993113 172378408 /nfs/dbraw/zinc/37/84/08/172378408.db2.gz LJLRFGMAGZAPHR-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO Cn1ncc(C(=O)NCC(C)(C)[NH+](C)C)c1C#N ZINC000353530565 172394882 /nfs/dbraw/zinc/39/48/82/172394882.db2.gz CCKSEBDUFDZEMT-UHFFFAOYSA-N 1 0 249.318 0.362 20 30 BCEDRO CN(CCC[NH+](C)C)c1nccnc1C#N ZINC000110895418 172431439 /nfs/dbraw/zinc/43/14/39/172431439.db2.gz WUEOSGDSPMYDRV-UHFFFAOYSA-N 1 0 219.292 0.736 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1cc(C#N)ccn1 ZINC000259092653 172440018 /nfs/dbraw/zinc/44/00/18/172440018.db2.gz ZFNIYHSSCGURQW-UHFFFAOYSA-N 1 0 232.287 0.635 20 30 BCEDRO CN(CC[NH+](C)C)S(=O)(=O)CC1(C#N)CC1 ZINC000361558794 172451837 /nfs/dbraw/zinc/45/18/37/172451837.db2.gz KHNOOWNXFCGOBE-UHFFFAOYSA-N 1 0 245.348 0.113 20 30 BCEDRO CN(CC[NH3+])C(=O)c1cccc(C#N)c1 ZINC000054417462 172732592 /nfs/dbraw/zinc/73/25/92/172732592.db2.gz RCBFZMIVPGQVMO-UHFFFAOYSA-N 1 0 203.245 0.589 20 30 BCEDRO CNC(=[NH2+])NC[C@H](CO)Cc1ccc(F)cc1 ZINC000264116631 172957148 /nfs/dbraw/zinc/95/71/48/172957148.db2.gz SYTLVOCFHWJWOA-SNVBAGLBSA-N 1 0 239.294 0.511 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181145933 173013466 /nfs/dbraw/zinc/01/34/66/173013466.db2.gz NDUOREOXPCQMAX-UHFFFAOYSA-N 1 0 232.287 0.664 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNc1ccc(C#N)nn1 ZINC000301960716 173034935 /nfs/dbraw/zinc/03/49/35/173034935.db2.gz HQWDPDDDLQJQOT-SNVBAGLBSA-N 1 0 217.276 0.854 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000287612076 173056168 /nfs/dbraw/zinc/05/61/68/173056168.db2.gz SYPJYHFJAABLQR-NSHDSACASA-N 1 0 244.298 0.777 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000336246560 173056241 /nfs/dbraw/zinc/05/62/41/173056241.db2.gz QCNACMBIUIZKMB-NSHDSACASA-N 1 0 246.314 0.721 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)o1 ZINC000335072358 173056482 /nfs/dbraw/zinc/05/64/82/173056482.db2.gz YCOCCLIERORPJV-VIFPVBQESA-N 1 0 233.271 0.975 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccnc(C#N)c1 ZINC000225345294 173077223 /nfs/dbraw/zinc/07/72/23/173077223.db2.gz RUNFVOYPTIBCOC-ZDUSSCGKSA-N 1 0 245.330 0.611 20 30 BCEDRO Cn1cc(CN2CC[NH+](C)CC2)cc1C#N ZINC000261098648 173087611 /nfs/dbraw/zinc/08/76/11/173087611.db2.gz XRTMBGKLOQHURP-UHFFFAOYSA-N 1 0 218.304 0.644 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)nc2)C1 ZINC000115341085 173114178 /nfs/dbraw/zinc/11/41/78/173114178.db2.gz KMKOKAJCWKYBPN-JTQLQIEISA-N 1 0 244.298 0.635 20 30 BCEDRO C[N@@H+]1CC[C@H](Nc2nccnc2C#N)C1 ZINC000054377857 173155818 /nfs/dbraw/zinc/15/58/18/173155818.db2.gz QYVURMAULFIDGU-QMMMGPOBSA-N 1 0 203.249 0.464 20 30 BCEDRO C[N@@H+]1CC[C@](O)(CNc2cccc(C#N)n2)C1 ZINC000357613113 173164719 /nfs/dbraw/zinc/16/47/19/173164719.db2.gz XNJSMKYTVYKVMW-LBPRGKRZSA-N 1 0 232.287 0.432 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3ccc(C#N)nc3)C[C@H]2C1 ZINC000278819989 173199265 /nfs/dbraw/zinc/19/92/65/173199265.db2.gz SZJOUBMRPQHYGP-PHIMTYICSA-N 1 0 228.299 0.951 20 30 BCEDRO CNC(=O)CCC[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191412095 173236836 /nfs/dbraw/zinc/23/68/36/173236836.db2.gz CBFMZAAARZPTQA-UHFFFAOYSA-N 1 0 248.330 0.855 20 30 BCEDRO CNC(=O)CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276728635 173241630 /nfs/dbraw/zinc/24/16/30/173241630.db2.gz CYYMHZNHNZKROJ-UHFFFAOYSA-N 1 0 234.303 0.513 20 30 BCEDRO CNC(=O)CC[NH+]1CCC(C#N)(COC)CC1 ZINC000341986779 173252564 /nfs/dbraw/zinc/25/25/64/173252564.db2.gz FOEJKBGRMZCXMO-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191435866 173294017 /nfs/dbraw/zinc/29/40/17/173294017.db2.gz RTSNMHMDGIYBAI-JTQLQIEISA-N 1 0 248.330 0.711 20 30 BCEDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087823938 173302881 /nfs/dbraw/zinc/30/28/81/173302881.db2.gz QRHPLYVLSGKDHC-VIFPVBQESA-N 1 0 247.298 0.791 20 30 BCEDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037749161 173302959 /nfs/dbraw/zinc/30/29/59/173302959.db2.gz VSXRCDGLOBFWSS-VIFPVBQESA-N 1 0 217.272 0.782 20 30 BCEDRO COCCC[N@H+](C)CCNc1cnc(C#N)cn1 ZINC000125571857 174215248 /nfs/dbraw/zinc/21/52/48/174215248.db2.gz QVGLNESHIFITQK-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO COCCN(C)CC[NH2+]Cc1ccc(C#N)o1 ZINC000135171784 174277951 /nfs/dbraw/zinc/27/79/51/174277951.db2.gz JHHMFBKNSQWLKH-UHFFFAOYSA-N 1 0 237.303 0.819 20 30 BCEDRO COCCN1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000266172219 174312913 /nfs/dbraw/zinc/31/29/13/174312913.db2.gz CTCGDUHNXMZWFZ-LLVKDONJSA-N 1 0 249.314 0.962 20 30 BCEDRO COCC[C@@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000282359923 174389098 /nfs/dbraw/zinc/38/90/98/174389098.db2.gz WCIWLLHVHBNDDC-VIFPVBQESA-N 1 0 224.260 0.638 20 30 BCEDRO C[C@@H]1CCC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000285592187 176150889 /nfs/dbraw/zinc/15/08/89/176150889.db2.gz UQWUBJRKRHTPIS-NXEZZACHSA-N 1 0 219.292 0.928 20 30 BCEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)cc2)CC[NH2+]1 ZINC000088059134 176260569 /nfs/dbraw/zinc/26/05/69/176260569.db2.gz LAQASJHDPUNVJP-SNVBAGLBSA-N 1 0 229.283 0.992 20 30 BCEDRO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H]1[NH+](C)C ZINC000251921980 176319737 /nfs/dbraw/zinc/31/97/37/176319737.db2.gz YBDZYOLSGZNIRO-MWLCHTKSSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@@H]1CN(c2nccnc2C#N)C[C@H]1[NH+](C)C ZINC000251899808 176322120 /nfs/dbraw/zinc/32/21/20/176322120.db2.gz WHIZYMNKUGAHLP-MWLCHTKSSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@@H]1COCC[C@@H]1[NH2+]CCOCCC#N ZINC000339126995 176340137 /nfs/dbraw/zinc/34/01/37/176340137.db2.gz OZJKIVTXDBEWRX-MNOVXSKESA-N 1 0 212.293 0.931 20 30 BCEDRO C[C@H](CNc1cnc(C#N)cn1)C[NH+](C)C ZINC000291921872 176686946 /nfs/dbraw/zinc/68/69/46/176686946.db2.gz ROVBZPYTKNAUCK-SECBINFHSA-N 1 0 219.292 0.958 20 30 BCEDRO C[C@H]1CC[N@H+](C)CCN1c1cnc(C#N)cn1 ZINC000355378558 177157266 /nfs/dbraw/zinc/15/72/66/177157266.db2.gz RGUPYKAEPIUJAL-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@H]1NC(=O)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000332011692 177394213 /nfs/dbraw/zinc/39/42/13/177394213.db2.gz TXSYGUNZFNKQEL-RKDXNWHRSA-N 1 0 207.277 0.547 20 30 BCEDRO C[NH+](C)CCOCCNc1cncc(C#N)n1 ZINC000401315111 225039107 /nfs/dbraw/zinc/03/91/07/225039107.db2.gz YDIGIEKRXNNWMC-UHFFFAOYSA-N 1 0 235.291 0.338 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)NCC1(C#N)CC1 ZINC000493322317 226184969 /nfs/dbraw/zinc/18/49/69/226184969.db2.gz NGXFTJNNIJRICD-ONEGZZNKSA-N 1 0 207.277 0.524 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000493136279 226135336 /nfs/dbraw/zinc/13/53/36/226135336.db2.gz DFAJEHNIRXTKIS-CBZSPVTBSA-N 1 0 221.304 0.913 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)N1CC(C)(C#N)C1 ZINC000493583765 226244521 /nfs/dbraw/zinc/24/45/21/226244521.db2.gz LZLXJPSTOWOPMZ-PLNGDYQASA-N 1 0 207.277 0.476 20 30 BCEDRO N#CCN1CC[NH+](C[C@H]2CCSC2)CC1 ZINC000494945080 226272254 /nfs/dbraw/zinc/27/22/54/226272254.db2.gz FGVUKEKYPYPNIP-LLVKDONJSA-N 1 0 225.361 0.881 20 30 BCEDRO C=CCOCCNC(=O)[C@@]1(C)CCC[NH2+]C1 ZINC000304257694 487670387 /nfs/dbraw/zinc/67/03/87/487670387.db2.gz SMNZOTLYEOPFLF-LBPRGKRZSA-N 1 0 226.320 0.695 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662611102 487671166 /nfs/dbraw/zinc/67/11/66/487671166.db2.gz HZDAAGXRLOCCNV-RKDXNWHRSA-N 1 0 234.303 0.791 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)CC[C@H](C)O ZINC000304308834 229346162 /nfs/dbraw/zinc/34/61/62/229346162.db2.gz KZGPQWZOYGWPQF-WDEREUQCSA-N 1 0 241.335 0.450 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000308810097 487689893 /nfs/dbraw/zinc/68/98/93/487689893.db2.gz PVMWUZHEVNTPRK-SNVBAGLBSA-N 1 0 212.293 0.305 20 30 BCEDRO COC(C)(C)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424120955 262848776 /nfs/dbraw/zinc/84/87/76/262848776.db2.gz HQSIPZQPJAMPGZ-VIFPVBQESA-N 1 0 227.308 0.549 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@](C)(O)CC ZINC000900900364 584364545 /nfs/dbraw/zinc/36/45/45/584364545.db2.gz JDMKIDMNRWDCPS-GFCCVEGCSA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCCOCC(=O)N[C@@H](C)C[NH+](C)C ZINC000672516635 487705116 /nfs/dbraw/zinc/70/51/16/487705116.db2.gz NEVNZEBRLORGED-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C[NH+](C)CCCNc1cncc(C#N)n1 ZINC000401353097 266495074 /nfs/dbraw/zinc/49/50/74/266495074.db2.gz ZEUGMUALVIKFMV-UHFFFAOYSA-N 1 0 205.265 0.712 20 30 BCEDRO C=CCOCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659479210 487723702 /nfs/dbraw/zinc/72/37/02/487723702.db2.gz ILRSNOKLILSKKC-UHFFFAOYSA-N 1 0 239.319 0.240 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000668423052 487728991 /nfs/dbraw/zinc/72/89/91/487728991.db2.gz NLHBCLRSFCZMEY-VXGBXAGGSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000675486894 487740062 /nfs/dbraw/zinc/74/00/62/487740062.db2.gz PPWXZGAYLYABPA-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[NH+]1[C@H](C)CCC[C@H]1C ZINC000668430178 487741700 /nfs/dbraw/zinc/74/17/00/487741700.db2.gz BPANLNOIWXUJOX-UTUOFQBUSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000668443288 487761521 /nfs/dbraw/zinc/76/15/21/487761521.db2.gz YIHRCIWQRUPSQX-RYUDHWBXSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CC)CC(=O)NC ZINC000760847816 585399516 /nfs/dbraw/zinc/39/95/16/585399516.db2.gz SELMLUJMAJISQU-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000668458448 487781650 /nfs/dbraw/zinc/78/16/50/487781650.db2.gz ZMVAZMAPQMEKRL-GHMZBOCLSA-N 1 0 224.304 0.134 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000668458453 487781796 /nfs/dbraw/zinc/78/17/96/487781796.db2.gz ZMVAZMAPQMEKRL-QWRGUYRKSA-N 1 0 224.304 0.134 20 30 BCEDRO C=C(C)CC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000681402181 487792660 /nfs/dbraw/zinc/79/26/60/487792660.db2.gz WIXJEHSQRBFHIY-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@H]1C ZINC000666379341 487794323 /nfs/dbraw/zinc/79/43/23/487794323.db2.gz OIRCSHTXSVGVSR-UTUOFQBUSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000666427719 487806497 /nfs/dbraw/zinc/80/64/97/487806497.db2.gz BMSZRZQNERURRD-WCQYABFASA-N 1 0 240.347 0.772 20 30 BCEDRO N#CC[C@@]1(O)CC[N@@H+](CCC2(O)CCC2)C1 ZINC000592153334 487807792 /nfs/dbraw/zinc/80/77/92/487807792.db2.gz LYPSBQHQYIWCNO-GFCCVEGCSA-N 1 0 224.304 0.642 20 30 BCEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC000651664094 487813647 /nfs/dbraw/zinc/81/36/47/487813647.db2.gz DCCFZBYBYIGUKF-MNOVXSKESA-N 1 0 246.376 0.870 20 30 BCEDRO C=CCOCCNC(=O)NCC1=CC[NH2+]CC1 ZINC000659531934 487814734 /nfs/dbraw/zinc/81/47/34/487814734.db2.gz GRRHVXQPVRPTAT-UHFFFAOYSA-N 1 0 239.319 0.408 20 30 BCEDRO C=CCOCCCNC(=O)NCC[NH+]1CCC1 ZINC000666519638 487823859 /nfs/dbraw/zinc/82/38/59/487823859.db2.gz PHWHTVOYPCNCNN-UHFFFAOYSA-N 1 0 241.335 0.584 20 30 BCEDRO C=CCN(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000681654802 487832070 /nfs/dbraw/zinc/83/20/70/487832070.db2.gz KMOMXRITFKZWHE-SNVBAGLBSA-N 1 0 211.309 0.908 20 30 BCEDRO C=C(C)CNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000681660449 487833850 /nfs/dbraw/zinc/83/38/50/487833850.db2.gz FTZCYZHDGJWGJK-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000668101241 487838562 /nfs/dbraw/zinc/83/85/62/487838562.db2.gz KGWMJYQXXRJMDG-LLVKDONJSA-N 1 0 226.320 0.476 20 30 BCEDRO CNC(NC[C@@H](OC)C(F)(F)F)=[NH+]C ZINC000849008875 588433925 /nfs/dbraw/zinc/43/39/25/588433925.db2.gz WVFHGJLMMCRPFH-RXMQYKEDSA-N 1 0 213.203 0.359 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000852103372 588661233 /nfs/dbraw/zinc/66/12/33/588661233.db2.gz FWZNYRKKQHTXKC-VHSXEESVSA-N 1 0 217.334 0.811 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000851970714 588649457 /nfs/dbraw/zinc/64/94/57/588649457.db2.gz JBJBJCQMTCDEEY-RYUDHWBXSA-N 1 0 211.305 0.993 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)C1(C#N)CCCC1 ZINC000877104134 590284005 /nfs/dbraw/zinc/28/40/05/590284005.db2.gz CJDPOUHLYHAHEF-VIFPVBQESA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC#N ZINC000877483811 590337658 /nfs/dbraw/zinc/33/76/58/590337658.db2.gz QBNZYXRKMQTJBC-VHSXEESVSA-N 1 0 209.293 0.937 20 30 BCEDRO C=CC[C@H](C(=O)OC)N1CCCOCC1 ZINC000878014912 590472209 /nfs/dbraw/zinc/47/22/09/590472209.db2.gz SHXWFCWSGLFRNU-SNVBAGLBSA-N 1 0 213.277 0.826 20 30 BCEDRO C=CC[C@H](C)[N@H+](C)CCS(N)(=O)=O ZINC000880085239 590921582 /nfs/dbraw/zinc/92/15/82/590921582.db2.gz GJOCRJMSENXDHW-QMMMGPOBSA-N 1 0 206.311 0.171 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624682 590837140 /nfs/dbraw/zinc/83/71/40/590837140.db2.gz ZCHOKHXYJKUXJZ-NSHDSACASA-N 1 0 211.305 0.729 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000666756334 487872957 /nfs/dbraw/zinc/87/29/57/487872957.db2.gz QODODQIAUAMOHH-WCQYABFASA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000668199300 487873690 /nfs/dbraw/zinc/87/36/90/487873690.db2.gz PPKCKFBHGMQGAH-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000666809625 487884964 /nfs/dbraw/zinc/88/49/64/487884964.db2.gz MVJLHDJMAIAYEK-JQWIXIFHSA-N 1 0 226.320 0.380 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000682037506 487886185 /nfs/dbraw/zinc/88/61/85/487886185.db2.gz FXTGJCOCPKGTNF-NEPJUHHUSA-N 1 0 229.320 0.661 20 30 BCEDRO COCC#CC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000677133352 487892662 /nfs/dbraw/zinc/89/26/62/487892662.db2.gz RTNXEYXBUMDSCD-WDEREUQCSA-N 1 0 224.304 0.222 20 30 BCEDRO C=CCCn1cc(CN(C)CC2C[NH+](C)C2)nn1 ZINC000668538551 487903137 /nfs/dbraw/zinc/90/31/37/487903137.db2.gz CLFVSGDKVNHRBM-UHFFFAOYSA-N 1 0 249.362 0.848 20 30 BCEDRO COCC#CCN1CCNC(=O)[C@@H]1CC(C)C ZINC000682087634 487907214 /nfs/dbraw/zinc/90/72/14/487907214.db2.gz IPPYAXWLAURTNJ-LBPRGKRZSA-N 1 0 238.331 0.483 20 30 BCEDRO COCC#CCN1CCNC(=O)[C@H]1CC(C)C ZINC000682087633 487907627 /nfs/dbraw/zinc/90/76/27/487907627.db2.gz IPPYAXWLAURTNJ-GFCCVEGCSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000669065404 487925834 /nfs/dbraw/zinc/92/58/34/487925834.db2.gz MELBXHVHPPABEN-UTUOFQBUSA-N 1 0 240.347 0.865 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676876247 487939500 /nfs/dbraw/zinc/93/95/00/487939500.db2.gz GOECZTJFXPUUMV-QWRGUYRKSA-N 1 0 208.305 0.986 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](COC)C1 ZINC000246600330 323009704 /nfs/dbraw/zinc/00/97/04/323009704.db2.gz AOKLRVRLOZFPMK-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCOC1 ZINC000247049450 323012001 /nfs/dbraw/zinc/01/20/01/323012001.db2.gz NLYCWQVXPCKBOC-WDEREUQCSA-N 1 0 226.320 0.645 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)NCC1(C#N)CC1 ZINC000562437157 323019817 /nfs/dbraw/zinc/01/98/17/323019817.db2.gz WYXJZALCMRPDKT-UHFFFAOYSA-N 1 0 209.293 0.747 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN(CCC#N)CC1CC1 ZINC000562442556 323020058 /nfs/dbraw/zinc/02/00/58/323020058.db2.gz UBZQEJKUSPEJJC-CYBMUJFWSA-N 1 0 239.363 0.925 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCN1CCCC1=O ZINC000562554426 323024114 /nfs/dbraw/zinc/02/41/14/323024114.db2.gz SXMWDURYTNYYBN-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO O=C(NCC#Cc1cccc(F)c1)NC1C[NH2+]C1 ZINC000562810737 323031195 /nfs/dbraw/zinc/03/11/95/323031195.db2.gz XIRFVLBNEKYZGB-UHFFFAOYSA-N 1 0 247.273 0.448 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCCC[NH2+]CC ZINC000562812287 323031307 /nfs/dbraw/zinc/03/13/07/323031307.db2.gz FXISSXVITKPYPU-SNVBAGLBSA-N 1 0 229.324 0.222 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000569808788 323041222 /nfs/dbraw/zinc/04/12/22/323041222.db2.gz NDYNZRUUOQFCKD-YFKTTZPYSA-N 1 0 238.331 0.692 20 30 BCEDRO C=CCN1CCC([NH2+]C[C@H](O)CSC)CC1 ZINC000570156100 323051252 /nfs/dbraw/zinc/05/12/52/323051252.db2.gz XFBYXFVGKSRVQY-LBPRGKRZSA-N 1 0 244.404 0.950 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@H]1CCCNC1=O ZINC000572778173 323068360 /nfs/dbraw/zinc/06/83/60/323068360.db2.gz ABTFCSFJCDYUKF-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cnc2cnccn12 ZINC000289822962 323069543 /nfs/dbraw/zinc/06/95/43/323069543.db2.gz MELOPZCXBGXMHZ-VIFPVBQESA-N 1 0 218.260 0.366 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCCC(=O)NC(N)=O ZINC000570814712 323071390 /nfs/dbraw/zinc/07/13/90/323071390.db2.gz SOKJAPPZFJAQQA-QMMMGPOBSA-N 1 0 226.280 0.243 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000570913169 323074035 /nfs/dbraw/zinc/07/40/35/323074035.db2.gz LVANZGBXKCWINT-WZRBSPASSA-N 1 0 235.331 0.994 20 30 BCEDRO COC[C@H](C)OC[C@@H](O)C[NH2+]C[C@@H](C)C#N ZINC000562994078 323078547 /nfs/dbraw/zinc/07/85/47/323078547.db2.gz UTTHMCSAQCIUIJ-DCAQKATOSA-N 1 0 230.308 0.148 20 30 BCEDRO COC[C@H](C)OC[C@H](O)C[NH2+]C[C@@H](C)C#N ZINC000562994079 323078649 /nfs/dbraw/zinc/07/86/49/323078649.db2.gz UTTHMCSAQCIUIJ-GARJFASQSA-N 1 0 230.308 0.148 20 30 BCEDRO C=C(C)C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000181938427 323079398 /nfs/dbraw/zinc/07/93/98/323079398.db2.gz GRXILVZHNQJIBL-LLVKDONJSA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCC[C@]2(C)CO)C1=O ZINC000531199349 323085365 /nfs/dbraw/zinc/08/53/65/323085365.db2.gz DFWVFGDJUSRWOI-DGCLKSJQSA-N 1 0 238.331 0.620 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2ccco2)CC1 ZINC000531710757 323111969 /nfs/dbraw/zinc/11/19/69/323111969.db2.gz MMWODJZPHJVQNK-UHFFFAOYSA-N 1 0 247.298 0.926 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CC2)C1 ZINC000563382488 323121910 /nfs/dbraw/zinc/12/19/10/323121910.db2.gz HRKIRSZMOKDMSB-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CC1CC[NH2+]CC1 ZINC000563533714 323129461 /nfs/dbraw/zinc/12/94/61/323129461.db2.gz CAFDOZZUQVWBLH-UHFFFAOYSA-N 1 0 233.275 0.610 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(c2cc(C#N)ncn2)C1 ZINC000310356606 323130704 /nfs/dbraw/zinc/13/07/04/323130704.db2.gz ILBPGDUPLJQFFI-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]C1CC(C)(F)C1 ZINC000571315198 323141133 /nfs/dbraw/zinc/14/11/33/323141133.db2.gz AWBLTOZYWNTSJN-MOENNCHZSA-N 1 0 243.326 0.673 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000305162118 323167800 /nfs/dbraw/zinc/16/78/00/323167800.db2.gz FUPZTOWHBKJVBS-SDDRHHMPSA-N 1 0 240.347 0.770 20 30 BCEDRO N#Cc1cncc(NCC[NH+]2CCC2)n1 ZINC000563839822 323180311 /nfs/dbraw/zinc/18/03/11/323180311.db2.gz RVSXJFMAZIGBDI-UHFFFAOYSA-N 1 0 203.249 0.466 20 30 BCEDRO C[C@H](C[NH+]1CCOCC1)C(=O)NC[C@H](C)C#N ZINC000535761319 323190678 /nfs/dbraw/zinc/19/06/78/323190678.db2.gz PYJLXMZHINIIFK-GHMZBOCLSA-N 1 0 239.319 0.231 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000395395057 323225681 /nfs/dbraw/zinc/22/56/81/323225681.db2.gz ZGCJQIFMARCACC-GFCCVEGCSA-N 1 0 228.336 0.235 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000532711299 323291289 /nfs/dbraw/zinc/29/12/89/323291289.db2.gz IZCMMGGETONPSW-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000528053838 323753430 /nfs/dbraw/zinc/75/34/30/323753430.db2.gz YNHOHLQNBYRYQM-JTQLQIEISA-N 1 0 244.360 0.767 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)CSCC#N ZINC000119441419 323925408 /nfs/dbraw/zinc/92/54/08/323925408.db2.gz NKLQQZOQGWTYDD-UHFFFAOYSA-N 1 0 215.322 0.263 20 30 BCEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC(C)C ZINC000121358869 324012788 /nfs/dbraw/zinc/01/27/88/324012788.db2.gz FBMRKGDDCMEMID-JTQLQIEISA-N 1 0 241.335 0.975 20 30 BCEDRO CC1CC(C#N)(C(=O)NC[C@H]2CC[N@H+](C)C2)C1 ZINC000122358818 324045582 /nfs/dbraw/zinc/04/55/82/324045582.db2.gz XJYJMTHNUAYZFQ-QWKFWESOSA-N 1 0 235.331 0.994 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2ccnn2C)CC1 ZINC000122788726 324058222 /nfs/dbraw/zinc/05/82/22/324058222.db2.gz ALJJBGHQVWFSTD-UHFFFAOYSA-N 1 0 246.314 0.704 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000152562401 324186566 /nfs/dbraw/zinc/18/65/66/324186566.db2.gz KSNKKKICXAILLJ-SRVKXCTJSA-N 1 0 238.331 0.360 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000541947511 325000221 /nfs/dbraw/zinc/00/02/21/325000221.db2.gz HGTXDTMOEOBSOV-ZJUUUORDSA-N 1 0 236.319 0.682 20 30 BCEDRO CC[NH+](CC)CCNC(=O)NC[C@@H](C)C#N ZINC000542876501 325059723 /nfs/dbraw/zinc/05/97/23/325059723.db2.gz DWXUAJMRWCFFLF-JTQLQIEISA-N 1 0 226.324 0.787 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](C)COC)C1=O ZINC000545992546 325254797 /nfs/dbraw/zinc/25/47/97/325254797.db2.gz FJZZIDQGDSGNID-NEPJUHHUSA-N 1 0 240.347 0.988 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000667300005 487967989 /nfs/dbraw/zinc/96/79/89/487967989.db2.gz GJXIQIZSZCEQTC-GFCCVEGCSA-N 1 0 240.347 0.914 20 30 BCEDRO CC[C@H]([NH3+])CNC(=O)COc1ccc(C#N)cc1 ZINC000572537702 325696115 /nfs/dbraw/zinc/69/61/15/325696115.db2.gz JLAOTPZNFZBHGD-NSHDSACASA-N 1 0 247.298 0.791 20 30 BCEDRO C=CCn1cc(CNC2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC000564841030 325814904 /nfs/dbraw/zinc/81/49/04/325814904.db2.gz MKRMRCJIJGCBCW-FOSCPWQOSA-N 1 0 247.346 0.837 20 30 BCEDRO C[C@H](Oc1ccccc1C#N)C(=O)N(C)CC[NH3+] ZINC000565150005 325862610 /nfs/dbraw/zinc/86/26/10/325862610.db2.gz GFAFNXJXDJLOAD-JTQLQIEISA-N 1 0 247.298 0.743 20 30 BCEDRO CC[NH+]1C[C@@H](C)N(C(=O)CC#N)[C@H](C)C1 ZINC000565208377 325871041 /nfs/dbraw/zinc/87/10/41/325871041.db2.gz IFNBYNXDBMMQGI-NXEZZACHSA-N 1 0 209.293 0.841 20 30 BCEDRO CC(C)OCC[C@@H](O)C[NH2+]C[C@@H](C)C#N ZINC000566116991 325998224 /nfs/dbraw/zinc/99/82/24/325998224.db2.gz OJCMUZBRXFQRDK-WDEREUQCSA-N 1 0 214.309 0.912 20 30 BCEDRO Cc1nc(C(=O)NC[C@@H]([NH3+])C(C)C)ccc1C#N ZINC000566568498 326065460 /nfs/dbraw/zinc/06/54/60/326065460.db2.gz VEPPVYPHMYPORY-LLVKDONJSA-N 1 0 246.314 0.975 20 30 BCEDRO Cn1cc(C[NH2+]CCN2CCCC2=O)cc1C#N ZINC000405400773 326113422 /nfs/dbraw/zinc/11/34/22/326113422.db2.gz MKFKPQIGUQFTKH-UHFFFAOYSA-N 1 0 246.314 0.609 20 30 BCEDRO C=CCN(CC=C)C[C@@H](O)C[N@@H+](C)CC ZINC000567211926 326139230 /nfs/dbraw/zinc/13/92/30/326139230.db2.gz WKKMZWGNILVTJE-LBPRGKRZSA-N 1 0 212.337 0.973 20 30 BCEDRO CCN1C[C@H](NC[C@H](C#N)CCC#N)CC1=O ZINC000567161169 326126356 /nfs/dbraw/zinc/12/63/56/326126356.db2.gz OITNYKUVKKTSJX-WDEREUQCSA-N 1 0 234.303 0.640 20 30 BCEDRO C=C(C)CCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000567249318 326150700 /nfs/dbraw/zinc/15/07/00/326150700.db2.gz SYDMTQGXAYUGQV-LLVKDONJSA-N 1 0 240.351 0.237 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418032358 487971907 /nfs/dbraw/zinc/97/19/07/487971907.db2.gz PYWVIKOZIFMDQO-QWRGUYRKSA-N 1 0 223.320 0.969 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000567988734 326292295 /nfs/dbraw/zinc/29/22/95/326292295.db2.gz NJMUIAWNUMARRG-VWYCJHECSA-N 1 0 212.293 0.354 20 30 BCEDRO CN1CC[NH2+]C[C@H]1CNCc1cccc(C#N)c1 ZINC000568096376 326307212 /nfs/dbraw/zinc/30/72/12/326307212.db2.gz ZIJAJAILNIJTQF-AWEZNQCLSA-N 1 0 244.342 0.551 20 30 BCEDRO C[N@@H+]1CCCN(c2ccc(C#N)c(N)n2)CC1 ZINC000568107415 326309132 /nfs/dbraw/zinc/30/91/32/326309132.db2.gz MCXKRMHZYMSXPH-UHFFFAOYSA-N 1 0 231.303 0.677 20 30 BCEDRO Cc1nc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])ccc1C#N ZINC000568153035 326314174 /nfs/dbraw/zinc/31/41/74/326314174.db2.gz UHWHEZUYGUEARC-SFYZADRCSA-N 1 0 232.287 0.727 20 30 BCEDRO CC#CCN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000568214253 326327421 /nfs/dbraw/zinc/32/74/21/326327421.db2.gz RWIHWBIPQAFHOV-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO CC(CO)(CO)C[NH2+]C[C@@H](C#N)CCC#N ZINC000568983503 326384421 /nfs/dbraw/zinc/38/44/21/326384421.db2.gz KDLKVKWWMVVVCY-SNVBAGLBSA-N 1 0 225.292 0.010 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000668589068 487972105 /nfs/dbraw/zinc/97/21/05/487972105.db2.gz XAWJFBRPCUBZSU-QWRGUYRKSA-N 1 0 224.304 0.086 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000682538996 487981086 /nfs/dbraw/zinc/98/10/86/487981086.db2.gz MNBIMIYKOHWYED-SDDRHHMPSA-N 1 0 236.315 0.222 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000667376293 487989899 /nfs/dbraw/zinc/98/98/99/487989899.db2.gz NWKDLUGIYRJDDK-GHMZBOCLSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000677192718 487996910 /nfs/dbraw/zinc/99/69/10/487996910.db2.gz YGOAYSZEPHWENV-NEPJUHHUSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655633085 488002440 /nfs/dbraw/zinc/00/24/40/488002440.db2.gz ADBPOSXRSORHBF-PHIMTYICSA-N 1 0 246.376 0.822 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)OC(C)(C)C1 ZINC000491068987 488029981 /nfs/dbraw/zinc/02/99/81/488029981.db2.gz SOECWJXRVBKLEO-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000669156570 488032262 /nfs/dbraw/zinc/03/22/62/488032262.db2.gz ZYWFSVJGUHGVTI-NXEZZACHSA-N 1 0 228.336 0.626 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000669177971 488043194 /nfs/dbraw/zinc/04/31/94/488043194.db2.gz PUEKONMCAINKIF-CMPLNLGQSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CC[C@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000165848745 488046929 /nfs/dbraw/zinc/04/69/29/488046929.db2.gz WFLPJVNXGTVTBD-VIFPVBQESA-N 1 0 212.293 0.446 20 30 BCEDRO C=C(C)[C@H](CO)N1CCC[C@H]([NH+](C)C)C1 ZINC000677477851 488046538 /nfs/dbraw/zinc/04/65/38/488046538.db2.gz BBBXDNNUICEKCQ-RYUDHWBXSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000401716722 488052902 /nfs/dbraw/zinc/05/29/02/488052902.db2.gz HLRSDYCOPDKADF-LURJTMIESA-N 1 0 210.199 0.958 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000667608292 488058490 /nfs/dbraw/zinc/05/84/90/488058490.db2.gz BSICWPRMBJCSNS-NWDGAFQWSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCOCC[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401849107 488069740 /nfs/dbraw/zinc/06/97/40/488069740.db2.gz CCFXLIDSPCKLHS-GFCCVEGCSA-N 1 0 229.320 0.662 20 30 BCEDRO C=C(C)[C@H](CO)N1CC[NH+](CC(C)(C)O)CC1 ZINC000677478356 488104691 /nfs/dbraw/zinc/10/46/91/488104691.db2.gz VREGGYSXMAAJKH-LBPRGKRZSA-N 1 0 242.363 0.312 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCCCC[NH+](C)C ZINC000668681259 488110656 /nfs/dbraw/zinc/11/06/56/488110656.db2.gz IGKYQWGLQCYRRS-LLVKDONJSA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000668693090 488122619 /nfs/dbraw/zinc/12/26/19/488122619.db2.gz NEBCUQSGCCFAEZ-ONGXEEELSA-N 1 0 214.309 0.380 20 30 BCEDRO CCn1cc(CN(C)CC#CCOC)cn1 ZINC000677817558 488131492 /nfs/dbraw/zinc/13/14/92/488131492.db2.gz NJORRTZXCPPBJJ-UHFFFAOYSA-N 1 0 221.304 0.985 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+](C)C(C)C ZINC000668699857 488132184 /nfs/dbraw/zinc/13/21/84/488132184.db2.gz CNENMFGTOXYSEX-LLVKDONJSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C1CCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000382549248 487546029 /nfs/dbraw/zinc/54/60/29/487546029.db2.gz CJSMHVFFZWIGJZ-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000669359868 487552123 /nfs/dbraw/zinc/55/21/23/487552123.db2.gz WYWDNDYOKJCUHU-AAEUAGOBSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000669338259 487531343 /nfs/dbraw/zinc/53/13/43/487531343.db2.gz DUBGYEHUGPJMNG-NWDGAFQWSA-N 1 0 240.347 0.724 20 30 BCEDRO C=CCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000401846819 487471790 /nfs/dbraw/zinc/47/17/90/487471790.db2.gz QSROBGQFADWZAR-RXMQYKEDSA-N 1 0 211.187 0.361 20 30 BCEDRO C=CCOCCNC(=O)CC1CC[NH2+]CC1 ZINC000304212847 487481566 /nfs/dbraw/zinc/48/15/66/487481566.db2.gz FODHZMVBNYNNOE-UHFFFAOYSA-N 1 0 226.320 0.695 20 30 BCEDRO C=CCOCCNC(=O)C1(C[NH3+])CCCC1 ZINC000304220745 487482130 /nfs/dbraw/zinc/48/21/30/487482130.db2.gz HOUKOBBAEFTPSK-UHFFFAOYSA-N 1 0 226.320 0.824 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CC[NH2+][C@@H](C)C1 ZINC000304214324 487482143 /nfs/dbraw/zinc/48/21/43/487482143.db2.gz FYIBBQBZXUFNPA-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO CC#CCCNC(=O)NCC[NH2+]C1CC1 ZINC000669563819 487484989 /nfs/dbraw/zinc/48/49/89/487484989.db2.gz DXPQWNZCAUAAPT-UHFFFAOYSA-N 1 0 209.293 0.451 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669563890 487486210 /nfs/dbraw/zinc/48/62/10/487486210.db2.gz YWWCFJGBKBLTCZ-NSHDSACASA-N 1 0 223.320 0.841 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C2(COC)CC2)C1=O ZINC000685003237 487490600 /nfs/dbraw/zinc/49/06/00/487490600.db2.gz RCPHTARCTOOUDM-LLVKDONJSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])[C@H](C)CC ZINC000308801524 487512082 /nfs/dbraw/zinc/51/20/82/487512082.db2.gz MUAHANRDNINCRV-ZJUUUORDSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])[C@@H](C)CC ZINC000308801522 487512339 /nfs/dbraw/zinc/51/23/39/487512339.db2.gz MUAHANRDNINCRV-UWVGGRQHSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407292593 487524026 /nfs/dbraw/zinc/52/40/26/487524026.db2.gz YOLXNXDYBYMCOW-RYUDHWBXSA-N 1 0 238.331 0.836 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000677819763 488135750 /nfs/dbraw/zinc/13/57/50/488135750.db2.gz QJAQMTFGTXLVIO-NEPJUHHUSA-N 1 0 211.305 0.729 20 30 BCEDRO CNC(=O)CCC[N@H+](C)CC#CCOC ZINC000677819996 488136133 /nfs/dbraw/zinc/13/61/33/488136133.db2.gz RWDAHCHCTHGRNA-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO CC[N@H+](C)C[C@@H]1CCN(CC#CCOC)C1 ZINC000677820732 488136879 /nfs/dbraw/zinc/13/68/79/488136879.db2.gz UJECUYRUVLTGQQ-ZDUSSCGKSA-N 1 0 224.348 0.910 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000677820284 488137732 /nfs/dbraw/zinc/13/77/32/488137732.db2.gz KXVIUYCNKMYJQC-LLVKDONJSA-N 1 0 224.304 0.224 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000683373073 488147770 /nfs/dbraw/zinc/14/77/70/488147770.db2.gz IZCHXNKOWPKLJX-DTWKUNHWSA-N 1 0 239.237 0.923 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000667926984 488159964 /nfs/dbraw/zinc/15/99/64/488159964.db2.gz HIHQYVQKQXJSKY-QWRGUYRKSA-N 1 0 224.304 0.446 20 30 BCEDRO C=CCCn1cc(CN(C)CCC[NH3+])nn1 ZINC000404490603 488165247 /nfs/dbraw/zinc/16/52/47/488165247.db2.gz RWBHQXQKNTZDCB-UHFFFAOYSA-N 1 0 223.324 0.635 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000668008783 488183157 /nfs/dbraw/zinc/18/31/57/488183157.db2.gz CYKWGSSDQYIWAS-YPMHNXCESA-N 1 0 238.331 0.620 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000668011524 488184009 /nfs/dbraw/zinc/18/40/09/488184009.db2.gz DMPJRVUALVRCAU-JQWIXIFHSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000678049621 488187002 /nfs/dbraw/zinc/18/70/02/488187002.db2.gz NBMZMXSKTBVCTQ-STQMWFEESA-N 1 0 240.347 0.724 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000668743243 488199040 /nfs/dbraw/zinc/19/90/40/488199040.db2.gz RWXJXLVDEKRXRB-CMPLNLGQSA-N 1 0 226.320 0.334 20 30 BCEDRO COCC#CCN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000678173020 488212717 /nfs/dbraw/zinc/21/27/17/488212717.db2.gz QZBNXNUNFBEMAA-NEPJUHHUSA-N 1 0 210.321 0.661 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000669555390 488216549 /nfs/dbraw/zinc/21/65/49/488216549.db2.gz UUYBHALRMDROPB-WDEREUQCSA-N 1 0 241.335 0.486 20 30 BCEDRO C=CCOCCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000669555454 488216674 /nfs/dbraw/zinc/21/66/74/488216674.db2.gz ZLLXIUKHOGCHMD-UHFFFAOYSA-N 1 0 243.351 0.815 20 30 BCEDRO C=CCOCCNC(=O)NCCC[NH2+]CC ZINC000669555344 488216701 /nfs/dbraw/zinc/21/67/01/488216701.db2.gz RHDYHIBEILRGBC-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000683880013 488235468 /nfs/dbraw/zinc/23/54/68/488235468.db2.gz JZAALNYIXKIOGH-TXEJJXNPSA-N 1 0 238.331 0.599 20 30 BCEDRO COCC#CCN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000678469899 488258512 /nfs/dbraw/zinc/25/85/12/488258512.db2.gz RGSXFEPQLHNWQJ-NWDGAFQWSA-N 1 0 210.321 0.661 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000678623524 488272823 /nfs/dbraw/zinc/27/28/23/488272823.db2.gz JCMDYVQGBFECOW-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000684626641 488335163 /nfs/dbraw/zinc/33/51/63/488335163.db2.gz LNGAVTLLTAGNJB-FRRDWIJNSA-N 1 0 241.331 0.803 20 30 BCEDRO COCC#CC[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000684628320 488335868 /nfs/dbraw/zinc/33/58/68/488335868.db2.gz JFYRXNWELVFQLM-NEPJUHHUSA-N 1 0 227.304 0.108 20 30 BCEDRO C=CCOCC(=O)N(C)CCCC[NH+](C)C ZINC000673840183 488308884 /nfs/dbraw/zinc/30/88/84/488308884.db2.gz FHIWQXQJTGBACI-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000679494550 488355342 /nfs/dbraw/zinc/35/53/42/488355342.db2.gz RZQBTPHKPQPZPM-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000679578388 488359204 /nfs/dbraw/zinc/35/92/04/488359204.db2.gz GJMLAUPEMHOAGN-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CCCO)C1 ZINC000491793359 490119539 /nfs/dbraw/zinc/11/95/39/490119539.db2.gz KNNZDLDUMMJZDK-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO OC[C@H]1CCN(CC#Cc2ccccc2)C[C@H]1O ZINC000676560762 490123925 /nfs/dbraw/zinc/12/39/25/490123925.db2.gz OMRRIAGTHLEYRK-HUUCEWRRSA-N 1 0 245.322 0.713 20 30 BCEDRO N#CCCC[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000595545163 490161727 /nfs/dbraw/zinc/16/17/27/490161727.db2.gz PHWGECAUQGCHRS-WDEREUQCSA-N 1 0 212.293 0.667 20 30 BCEDRO COCC#CC[N@H+](C)C[C@@H](C)C(=O)OC ZINC000611140424 490197703 /nfs/dbraw/zinc/19/77/03/490197703.db2.gz HIHGHWTZMBXEFC-SNVBAGLBSA-N 1 0 213.277 0.377 20 30 BCEDRO C=C[C@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC000292831457 490372088 /nfs/dbraw/zinc/37/20/88/490372088.db2.gz WSQIRBJCNIAEOW-LLVKDONJSA-N 1 0 226.320 0.381 20 30 BCEDRO C[NH+]=C(NCc1ccnn1C)N[C@@H]1C[C@H]1C ZINC000083858403 490562855 /nfs/dbraw/zinc/56/28/55/490562855.db2.gz HMXGIBPQDYGWEI-PSASIEDQSA-N 1 0 221.308 0.494 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](CCO)C2CC2)C1=O ZINC000281946544 491120747 /nfs/dbraw/zinc/12/07/47/491120747.db2.gz JEZZTTWMQUFWSY-LLVKDONJSA-N 1 0 224.304 0.230 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC#CCOC ZINC000309572244 491151929 /nfs/dbraw/zinc/15/19/29/491151929.db2.gz NYEAJYLCGONDDH-GHMZBOCLSA-N 1 0 224.304 0.141 20 30 BCEDRO C[C@@H](C[NH+](C)C)Nc1cncc(C#N)n1 ZINC000401221924 533735689 /nfs/dbraw/zinc/73/56/89/533735689.db2.gz BLNRMDIUXUYVEP-QMMMGPOBSA-N 1 0 205.265 0.710 20 30 BCEDRO C=CCOCCNC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000891764627 582717841 /nfs/dbraw/zinc/71/78/41/582717841.db2.gz JEKRFHHPQYMYNF-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCCC#N ZINC000891769860 582718493 /nfs/dbraw/zinc/71/84/93/582718493.db2.gz RRGBTKQDNCQIAN-RKDXNWHRSA-N 1 0 210.281 0.421 20 30 BCEDRO C[NH+](C)C[C@H]1CCCN1C(=O)CSCC#N ZINC000362511223 535958614 /nfs/dbraw/zinc/95/86/14/535958614.db2.gz FAJXTTRADCPTEQ-SNVBAGLBSA-N 1 0 241.360 0.796 20 30 BCEDRO C#CCCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891848701 582729814 /nfs/dbraw/zinc/72/98/14/582729814.db2.gz PSHSKWFXFUBBDE-DGCLKSJQSA-N 1 0 235.331 0.984 20 30 BCEDRO C#CCN(C(=O)N[C@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000491697863 517301604 /nfs/dbraw/zinc/30/16/04/517301604.db2.gz ARYVTOXVDAFNFG-PWSUYJOCSA-N 1 0 235.331 0.792 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000668574096 582771690 /nfs/dbraw/zinc/77/16/90/582771690.db2.gz BAQYCZMJISAAPE-YPMHNXCESA-N 1 0 240.347 0.914 20 30 BCEDRO C[NH+]=C(NCCS(=O)(=O)C(C)C)NC1CC1 ZINC000262240885 536304114 /nfs/dbraw/zinc/30/41/14/536304114.db2.gz BLNPIZODIGIUKM-UHFFFAOYSA-N 1 0 247.364 0.137 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000159155593 534345995 /nfs/dbraw/zinc/34/59/95/534345995.db2.gz AIAFKTRYJGLXEA-LPEHRKFASA-N 1 0 212.293 0.444 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1CNC1=[NH+]CCCN1 ZINC000262787200 534352527 /nfs/dbraw/zinc/35/25/27/534352527.db2.gz JXQCTZSJCYSJMA-GHMZBOCLSA-N 1 0 223.320 0.907 20 30 BCEDRO CNC(=[NH2+])NCc1nccn1CC(F)(F)F ZINC000262092228 536304931 /nfs/dbraw/zinc/30/49/31/536304931.db2.gz HDVAHMZECISAQU-UHFFFAOYSA-N 1 0 235.213 0.480 20 30 BCEDRO CNC(=[NH2+])NCc1ccccc1Cn1cncn1 ZINC000264085420 536305342 /nfs/dbraw/zinc/30/53/42/536305342.db2.gz JFSDLLGBDZANPF-UHFFFAOYSA-N 1 0 244.302 0.361 20 30 BCEDRO C=C(CC)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000358824347 534381218 /nfs/dbraw/zinc/38/12/18/534381218.db2.gz DRUVPPUNPOSFOD-UHFFFAOYSA-N 1 0 246.376 0.953 20 30 BCEDRO C=C(CC)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000358836248 534381517 /nfs/dbraw/zinc/38/15/17/534381517.db2.gz WJUSHKPIOONNGP-UHFFFAOYSA-N 1 0 232.349 0.706 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000358620058 534388459 /nfs/dbraw/zinc/38/84/59/534388459.db2.gz JYRMWXSOHDHXEI-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](C)CC(=O)OCC ZINC000089585016 534519075 /nfs/dbraw/zinc/51/90/75/534519075.db2.gz FJVLNWDBAWFCLX-SECBINFHSA-N 1 0 227.308 0.666 20 30 BCEDRO C=C[C@@H](CO)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000356856868 534519368 /nfs/dbraw/zinc/51/93/68/534519368.db2.gz QLLCRBFXEOHQHU-UWVGGRQHSA-N 1 0 244.360 0.087 20 30 BCEDRO C=CC1CCN(C(=O)CCOC2C[NH2+]C2)CC1 ZINC000348994762 534521185 /nfs/dbraw/zinc/52/11/85/534521185.db2.gz UENSTMBDWQKUIP-UHFFFAOYSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@H](CCC)[NH+](C)C ZINC000356855575 534531010 /nfs/dbraw/zinc/53/10/10/534531010.db2.gz NEDLCAGCJZUEIN-UWVGGRQHSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C[C@@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000358536658 534527517 /nfs/dbraw/zinc/52/75/17/534527517.db2.gz NOQQFBUDXRFUSL-WDEREUQCSA-N 1 0 241.335 0.317 20 30 BCEDRO C=C[C@@H]1CCCC[N@@H+]1CC(=O)N1CCOCC1 ZINC000336569034 534559957 /nfs/dbraw/zinc/55/99/57/534559957.db2.gz DKBUZSGOJVBYAD-GFCCVEGCSA-N 1 0 238.331 0.886 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000263079064 534583011 /nfs/dbraw/zinc/58/30/11/534583011.db2.gz REUDTXUROCJRRR-UTLUCORTSA-N 1 0 209.293 0.515 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H](C)[C@H]([NH3+])C1 ZINC000333600518 534600732 /nfs/dbraw/zinc/60/07/32/534600732.db2.gz BWVBQYIDHNMXSW-ZDCRXTMVSA-N 1 0 239.319 0.319 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC[NH2+]C(C)(C)C ZINC000309660907 534627587 /nfs/dbraw/zinc/62/75/87/534627587.db2.gz GCROMBAMVIVFNV-GFCCVEGCSA-N 1 0 228.336 0.818 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000334953863 534647875 /nfs/dbraw/zinc/64/78/75/534647875.db2.gz VXBLYTPXJVXUDQ-JGVFFNPUSA-N 1 0 233.262 0.857 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000358953720 534679799 /nfs/dbraw/zinc/67/97/99/534679799.db2.gz ZKYLIZCJPBXCGE-MXWKQRLJSA-N 1 0 241.335 0.315 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000353562649 534682785 /nfs/dbraw/zinc/68/27/85/534682785.db2.gz BMAMLMKMFSBWFJ-GMTAPVOTSA-N 1 0 247.360 0.479 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000334952362 534706452 /nfs/dbraw/zinc/70/64/52/534706452.db2.gz NBLXPZGJWZGNSC-GHMZBOCLSA-N 1 0 223.320 0.921 20 30 BCEDRO CC#CC[NH+]1CCC(OCCC(=O)NC)CC1 ZINC000359902168 534707849 /nfs/dbraw/zinc/70/78/49/534707849.db2.gz PVEQUEUMZBFSFY-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NCC(=O)OC ZINC000121075103 534710694 /nfs/dbraw/zinc/71/06/94/534710694.db2.gz YTDNAUKGCZBCOE-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO C=CCCC[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000366652446 534721286 /nfs/dbraw/zinc/72/12/86/534721286.db2.gz JVNOBIDWOLAMKU-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC ZINC000342740103 534770105 /nfs/dbraw/zinc/77/01/05/534770105.db2.gz YUSPYHZSIKKFIC-SECBINFHSA-N 1 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222.210 0.768 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])NCCCCCC ZINC000271955898 534855736 /nfs/dbraw/zinc/85/57/36/534855736.db2.gz QAGDZBNJUSOSIJ-UHFFFAOYSA-N 1 0 240.351 0.773 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])NC1CCCCC1 ZINC000262189116 534856203 /nfs/dbraw/zinc/85/62/03/534856203.db2.gz QXUZIGBTOUDZSP-UHFFFAOYSA-N 1 0 238.335 0.526 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@]1(C)CCCO1 ZINC000340339394 534859393 /nfs/dbraw/zinc/85/93/93/534859393.db2.gz TWXGOVDBHMFYAC-ZYHUDNBSSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC12CCOCC2 ZINC000370541063 534859606 /nfs/dbraw/zinc/85/96/06/534859606.db2.gz APDGPNRRKZMFEY-NSHDSACASA-N 1 0 238.331 0.837 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000336592770 534860287 /nfs/dbraw/zinc/86/02/87/534860287.db2.gz SKPIKIRJLDGPPV-QWRGUYRKSA-N 1 0 223.320 0.908 20 30 BCEDRO C=CCOCC(=O)N1CC[NH+](CCC)CC1 ZINC000354898552 534868120 /nfs/dbraw/zinc/86/81/20/534868120.db2.gz JSDJZQVEXNJRGU-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=CCOCC(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000359234577 534868394 /nfs/dbraw/zinc/86/83/94/534868394.db2.gz SZJRPADYMORKNZ-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCOCC(=O)NCCCC[NH+](C)C ZINC000356443899 534869965 /nfs/dbraw/zinc/86/99/65/534869965.db2.gz NAOCZXPWZBOADB-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000261554520 534870463 /nfs/dbraw/zinc/87/04/63/534870463.db2.gz UISADZMIPGOMOJ-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357421625 534870492 /nfs/dbraw/zinc/87/04/92/534870492.db2.gz NMZCOXATLGXWFK-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCOCC[N@@H+](CC)[C@H]1CCNC1=O ZINC000294074914 534877014 /nfs/dbraw/zinc/87/70/14/534877014.db2.gz KXNVZLXQLRIZJV-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCOCCC[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000348195984 534874772 /nfs/dbraw/zinc/87/47/72/534874772.db2.gz ZYIDAAGPNHBRKJ-NEPJUHHUSA-N 1 0 231.336 0.643 20 30 BCEDRO C=CCOCCC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000336715613 534875736 /nfs/dbraw/zinc/87/57/36/534875736.db2.gz VMLVAJGCMTWWCN-VXGBXAGGSA-N 1 0 229.320 0.709 20 30 BCEDRO C=CCOCC[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000339113567 534877701 /nfs/dbraw/zinc/87/77/01/534877701.db2.gz GEOFPIOSGINFQK-GHMZBOCLSA-N 1 0 217.309 0.253 20 30 BCEDRO C=CCOCC[NH+]1CCC(OCCO)CC1 ZINC000339054889 534878120 /nfs/dbraw/zinc/87/81/20/534878120.db2.gz PSOFOKHDPHKCKX-UHFFFAOYSA-N 1 0 229.320 0.662 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000339100383 534878851 /nfs/dbraw/zinc/87/88/51/534878851.db2.gz YHSPJABJYYXTMB-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000292947530 534879010 /nfs/dbraw/zinc/87/90/10/534879010.db2.gz BIBCEGSAZXOHOW-SNVBAGLBSA-N 1 0 213.277 0.684 20 30 BCEDRO CC#CCC[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000495405096 526308040 /nfs/dbraw/zinc/30/80/40/526308040.db2.gz YJNBKVFBJINPGI-NSHDSACASA-N 1 0 222.288 0.926 20 30 BCEDRO C=CC[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000305175374 526454870 /nfs/dbraw/zinc/45/48/70/526454870.db2.gz ARLXFJZBVYBXMH-SNVBAGLBSA-N 1 0 213.277 0.418 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)[C@@H]2CCC[C@H]2O)C1=O ZINC000511587321 526473261 /nfs/dbraw/zinc/47/32/61/526473261.db2.gz JUUBPXCGRROAIQ-IJLUTSLNSA-N 1 0 238.331 0.619 20 30 BCEDRO C#CCC[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494135161 526730307 /nfs/dbraw/zinc/73/03/07/526730307.db2.gz SDKMEBZDTFRIQR-JTQLQIEISA-N 1 0 208.261 0.536 20 30 BCEDRO C#CCN(C(=O)NC[C@H]([NH3+])CC)C1CC1 ZINC000491801727 526768466 /nfs/dbraw/zinc/76/84/66/526768466.db2.gz DKWXBPUCCDOBEV-SECBINFHSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCN(C(=O)NCC[NH2+]CCOC)C1CC1 ZINC000491742724 526769518 /nfs/dbraw/zinc/76/95/18/526769518.db2.gz JNPHUEUIBQIIGM-UHFFFAOYSA-N 1 0 239.319 0.030 20 30 BCEDRO C=CCOCC[NH+]1CCC2(COC(=O)N2)CC1 ZINC000497018728 526770206 /nfs/dbraw/zinc/77/02/06/526770206.db2.gz HULYQVOMXHYUHW-UHFFFAOYSA-N 1 0 240.303 0.763 20 30 BCEDRO C#CCN(C)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000491708592 526790307 /nfs/dbraw/zinc/79/03/07/526790307.db2.gz QGCPCBHINDMJKM-JTQLQIEISA-N 1 0 226.345 0.515 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)COC(F)F ZINC000491505390 526805575 /nfs/dbraw/zinc/80/55/75/526805575.db2.gz LTOPVVRLIXMNCO-UHFFFAOYSA-N 1 0 234.246 0.297 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](OC)C(C)C ZINC000491745738 526821586 /nfs/dbraw/zinc/82/15/86/526821586.db2.gz NPRYEFKZWJLTRG-LBPRGKRZSA-N 1 0 240.347 0.729 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H](C)CC[NH3+] ZINC000491392715 526857854 /nfs/dbraw/zinc/85/78/54/526857854.db2.gz DSMFYIAEUFEFAW-LLVKDONJSA-N 1 0 221.304 0.392 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000491505958 526859072 /nfs/dbraw/zinc/85/90/72/526859072.db2.gz NVULGJJGNHYOGV-OLZOCXBDSA-N 1 0 247.342 0.782 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000491304411 526888325 /nfs/dbraw/zinc/88/83/25/526888325.db2.gz FWJLINDCMRWTHN-SNVBAGLBSA-N 1 0 209.293 0.388 20 30 BCEDRO C#CC[N@@H+](CC)CC1CCS(=O)(=O)CC1 ZINC000490877243 526896700 /nfs/dbraw/zinc/89/67/00/526896700.db2.gz XILFJOLOYPMEBZ-UHFFFAOYSA-N 1 0 229.345 0.766 20 30 BCEDRO C#CCN(Cc1ccccc1)C(=O)NCC[NH3+] ZINC000491778282 526909567 /nfs/dbraw/zinc/90/95/67/526909567.db2.gz YHAVQNVDIKUVJU-UHFFFAOYSA-N 1 0 231.299 0.790 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C1CC(OCC)C1 ZINC000491067627 526974150 /nfs/dbraw/zinc/97/41/50/526974150.db2.gz JKZPRBRJHAYEFT-UHFFFAOYSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC12CCC2 ZINC000491154832 526977144 /nfs/dbraw/zinc/97/71/44/526977144.db2.gz MKWRLPSIBQJDEF-UHFFFAOYSA-N 1 0 206.289 0.754 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCN(C)CC1(C)C ZINC000491067495 526978557 /nfs/dbraw/zinc/97/85/57/526978557.db2.gz IMNDPIOMCSMJJS-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@](C)(O)CC1 ZINC000491067292 526979313 /nfs/dbraw/zinc/97/93/13/526979313.db2.gz HOSRSELDWWNYFM-ZDUSSCGKSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@]1(C)CCCO1 ZINC000491497711 526982471 /nfs/dbraw/zinc/98/24/71/526982471.db2.gz ZKPRFGSDLADGEM-GFCCVEGCSA-N 1 0 224.304 0.285 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1ncccc1C ZINC000491759154 526982983 /nfs/dbraw/zinc/98/29/83/526982983.db2.gz LPMGGTVARZVOPB-UHFFFAOYSA-N 1 0 245.326 0.662 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(C)c(C)n1 ZINC000491660305 526983840 /nfs/dbraw/zinc/98/38/40/526983840.db2.gz CMLJSCBOAVHSDH-UHFFFAOYSA-N 1 0 245.326 0.928 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCO[C@@H](CC)C1 ZINC000491719410 526986341 /nfs/dbraw/zinc/98/63/41/526986341.db2.gz ZVWNDOLUFFOSRQ-NEPJUHHUSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000491805418 526986411 /nfs/dbraw/zinc/98/64/11/526986411.db2.gz OMOMOFIQVIHMAN-NEPJUHHUSA-N 1 0 236.315 0.449 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCO[C@H](CC)C1 ZINC000491719411 526987217 /nfs/dbraw/zinc/98/72/17/526987217.db2.gz ZVWNDOLUFFOSRQ-NWDGAFQWSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC1(C)C ZINC000309139352 526987304 /nfs/dbraw/zinc/98/73/04/526987304.db2.gz SROVPLAPXRMOJN-JTQLQIEISA-N 1 0 208.305 0.904 20 30 BCEDRO C#CCNC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000491252130 527010115 /nfs/dbraw/zinc/01/01/15/527010115.db2.gz FRIVXKLVYPNXGW-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCNC(=O)N[C@@H]1C[NH2+]C[C@H]1c1ccccc1 ZINC000491496976 527014722 /nfs/dbraw/zinc/01/47/22/527014722.db2.gz UWGNUHXLRZOIDO-QWHCGFSZSA-N 1 0 243.310 0.674 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000300404211 527029953 /nfs/dbraw/zinc/02/99/53/527029953.db2.gz HIMSHGATKFLOOK-AXFHLTTASA-N 1 0 238.331 0.527 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC000487134669 527087076 /nfs/dbraw/zinc/08/70/76/527087076.db2.gz CJUHYJQAXKVSJR-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000491505413 527254257 /nfs/dbraw/zinc/25/42/57/527254257.db2.gz LWADVNAKHDWHNF-WDEREUQCSA-N 1 0 223.320 0.840 20 30 BCEDRO C#C[C@@H](NC(=O)N1CC[C@@H]([NH2+]C)C1)C(C)C ZINC000491630052 527272563 /nfs/dbraw/zinc/27/25/63/527272563.db2.gz WVOZXACIMSYVSK-GHMZBOCLSA-N 1 0 223.320 0.648 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)NCC[NH2+]CCC ZINC000491660884 527299419 /nfs/dbraw/zinc/29/94/19/527299419.db2.gz OTEHMTBGTRUAJR-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000491325976 527333466 /nfs/dbraw/zinc/33/34/66/527333466.db2.gz IVXFQOGGPAJRQW-WDEREUQCSA-N 1 0 207.277 0.198 20 30 BCEDRO C=CCn1cc(CNC(=O)/C=C\C[NH+](C)C)nn1 ZINC000493136945 527363094 /nfs/dbraw/zinc/36/30/94/527363094.db2.gz FGCNOZHHWMVSGW-WAYWQWQTSA-N 1 0 249.318 0.198 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)CCCC[NH+](C)C ZINC000491253030 527416272 /nfs/dbraw/zinc/41/62/72/527416272.db2.gz LHYUIOHHKXPGJX-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)NC[C@@H](C)[NH2+]CC ZINC000491515202 527418771 /nfs/dbraw/zinc/41/87/71/527418771.db2.gz MJNQZSHYJFGZPY-MNOVXSKESA-N 1 0 239.319 0.028 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@@H]([NH3+])CC ZINC000418737523 527430445 /nfs/dbraw/zinc/43/04/45/527430445.db2.gz VSPSISTUVGAYGZ-UWVGGRQHSA-N 1 0 229.324 0.350 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1cnc(C)s1 ZINC000262008926 536520056 /nfs/dbraw/zinc/52/00/56/536520056.db2.gz SOJMXBGIUFNUMD-SSDOTTSWSA-N 1 0 242.348 0.891 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1cc(C)nn1C ZINC000261880690 536520137 /nfs/dbraw/zinc/52/01/37/536520137.db2.gz QUUSKNBIYQFZOQ-SECBINFHSA-N 1 0 239.323 0.168 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1cccnc1 ZINC000264113983 536520279 /nfs/dbraw/zinc/52/02/79/536520279.db2.gz PMKBPHBGLJSSEQ-SECBINFHSA-N 1 0 222.292 0.521 20 30 BCEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@H](C)C#N ZINC000488163287 528035690 /nfs/dbraw/zinc/03/56/90/528035690.db2.gz FEEYMWRKVNQYLS-GHMZBOCLSA-N 1 0 241.335 0.619 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487210582 528344759 /nfs/dbraw/zinc/34/47/59/528344759.db2.gz USFPXGFFJIDQOR-HBNTYKKESA-N 1 0 223.320 0.848 20 30 BCEDRO CC[C@H](CC#N)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487117892 529299158 /nfs/dbraw/zinc/29/91/58/529299158.db2.gz AESKNRXOAJURLS-GMTAPVOTSA-N 1 0 223.320 0.993 20 30 BCEDRO CC1(C)[C@@H](O)C[C@@H]1NC(=[NH2+])Nc1ccccn1 ZINC000186873279 535030818 /nfs/dbraw/zinc/03/08/18/535030818.db2.gz MKPUKIGOXUXUKO-IUCAKERBSA-N 1 0 234.303 0.968 20 30 BCEDRO CC(C)CNC(=[NH2+])NCC1([S@](C)=O)CCC1 ZINC000262811173 535064955 /nfs/dbraw/zinc/06/49/55/535064955.db2.gz OCXFOVBIKKUZAZ-INIZCTEOSA-N 1 0 245.392 0.848 20 30 BCEDRO CC(C)C[N@@H+]1CC[C@@H](CNC(=O)CC#N)C1 ZINC000357378685 535127470 /nfs/dbraw/zinc/12/74/70/535127470.db2.gz OBSRGUYSYFEDAT-NSHDSACASA-N 1 0 223.320 0.994 20 30 BCEDRO CC[NH+]=C(NCCO)N[C@@H]1C[C@@H](OC)C1(C)C ZINC000261907388 535261743 /nfs/dbraw/zinc/26/17/43/535261743.db2.gz ZHADKOIETLLDRS-NXEZZACHSA-N 1 0 243.351 0.347 20 30 BCEDRO CC[NH+]=C(NCCn1ccnc1)N1CCCC1 ZINC000263271511 535262037 /nfs/dbraw/zinc/26/20/37/535262037.db2.gz XAENQORXJWYNNW-UHFFFAOYSA-N 1 0 235.335 0.944 20 30 BCEDRO CC[NH+]=C(NCCn1cncn1)N[C@H]1C[C@@H]1C ZINC000262696579 535263287 /nfs/dbraw/zinc/26/32/87/535263287.db2.gz DYPWVEVDVANQAS-UWVGGRQHSA-N 1 0 236.323 0.242 20 30 BCEDRO CC[NH+]=C(NC[C@@H](C)C(=O)OC)N1CCCC1 ZINC000103891943 535263442 /nfs/dbraw/zinc/26/34/42/535263442.db2.gz JPVIZYBKPHVALJ-SNVBAGLBSA-N 1 0 241.335 0.857 20 30 BCEDRO CC[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[C@H]1C ZINC000262463659 535265523 /nfs/dbraw/zinc/26/55/23/535265523.db2.gz GCDMWJHKHLIUNZ-VXNVDRBHSA-N 1 0 237.307 0.842 20 30 BCEDRO CC(C)OC(=O)CCNC1=[NH+]CCN1C ZINC000262474451 535292855 /nfs/dbraw/zinc/29/28/55/535292855.db2.gz BTLYKEJCMCSQTO-UHFFFAOYSA-N 1 0 213.281 0.219 20 30 BCEDRO CCN(CC)C(=[NH2+])NCC(=O)N1CCCC1 ZINC000170909748 535388837 /nfs/dbraw/zinc/38/88/37/535388837.db2.gz YFJFNEACWXXJIB-UHFFFAOYSA-N 1 0 226.324 0.265 20 30 BCEDRO CCNC(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000264076288 535423994 /nfs/dbraw/zinc/42/39/94/535423994.db2.gz FSECYGXUNAZXAG-UHFFFAOYSA-N 1 0 220.276 0.210 20 30 BCEDRO CCC[C@@H]1CN(CC#N)CC[N@@H+]1CCOC ZINC000121745256 535434709 /nfs/dbraw/zinc/43/47/09/535434709.db2.gz ZOMARYLJWUQESE-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO CCO[C@@H]1C[C@H](NC(NC)=[NH+]C)[C@@]12CCCO2 ZINC000262342949 535454806 /nfs/dbraw/zinc/45/48/06/535454806.db2.gz CVWXWNYVHWWZJG-UMNHJUIQSA-N 1 0 241.335 0.508 20 30 BCEDRO CC[NH+](CC)[C@H]1CCN(CC(=O)NCC#N)C1 ZINC000076058913 535677687 /nfs/dbraw/zinc/67/76/87/535677687.db2.gz RWMZDHMLVVHHOY-NSHDSACASA-N 1 0 238.335 0.042 20 30 BCEDRO CCNC(NCc1noc(C)n1)=[NH+]CC ZINC000267403787 535786881 /nfs/dbraw/zinc/78/68/81/535786881.db2.gz GOFCJGZJJKDRKD-UHFFFAOYSA-N 1 0 211.269 0.453 20 30 BCEDRO C[NH+](C)CCNS(=O)(=O)CC1(C#N)CCC1 ZINC000361984074 535890765 /nfs/dbraw/zinc/89/07/65/535890765.db2.gz RDMXWSQDVPIFRZ-UHFFFAOYSA-N 1 0 245.348 0.161 20 30 BCEDRO CN(C)C1(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000263083982 536111976 /nfs/dbraw/zinc/11/19/76/536111976.db2.gz ICCNRVHZJUIVKP-UHFFFAOYSA-N 1 0 224.352 0.785 20 30 BCEDRO CCc1nn(C)c(OC)c1CNC(=[NH2+])N(C)C ZINC000179737696 536182701 /nfs/dbraw/zinc/18/27/01/536182701.db2.gz RDMLPUADVGVPSK-UHFFFAOYSA-N 1 0 239.323 0.367 20 30 BCEDRO CNC(=[NH2+])NCc1cn2cc(C)ccc2n1 ZINC000261912028 536305157 /nfs/dbraw/zinc/30/51/57/536305157.db2.gz YKMLFDLLHDOJBY-UHFFFAOYSA-N 1 0 217.276 0.677 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C ZINC000262347458 536305039 /nfs/dbraw/zinc/30/50/39/536305039.db2.gz AKZDEEICBFOHPN-YIZRAAEISA-N 1 0 211.309 0.724 20 30 BCEDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCOCCC#N ZINC000339042321 536316876 /nfs/dbraw/zinc/31/68/76/536316876.db2.gz IRKLEKZRJTZDDV-NSHDSACASA-N 1 0 240.303 0.944 20 30 BCEDRO COC(=O)CCCCCNC1=[NH+]CCCN1 ZINC000340031881 536447067 /nfs/dbraw/zinc/44/70/67/536447067.db2.gz HBZQBEVAZNMHID-UHFFFAOYSA-N 1 0 227.308 0.659 20 30 BCEDRO COC(=O)[C@H](C)CNC(=[NH2+])NC1CCCC1 ZINC000261770992 536590389 /nfs/dbraw/zinc/59/03/89/536590389.db2.gz MQQYXRSWGAFQCK-MRVPVSSYSA-N 1 0 227.308 0.642 20 30 BCEDRO COC1(CNC(=[NH2+])N(C)C2CC2)CCC1 ZINC000262200259 536592678 /nfs/dbraw/zinc/59/26/78/536592678.db2.gz HETGSPMEBYRORD-UHFFFAOYSA-N 1 0 211.309 0.964 20 30 BCEDRO COC1(CNC(=[NH2+])N2CCSCC2)CCC1 ZINC000262539652 536593295 /nfs/dbraw/zinc/59/32/95/536593295.db2.gz KULCUYXIBSLNNO-UHFFFAOYSA-N 1 0 243.376 0.919 20 30 BCEDRO COC1(CCNC(=[NH2+])N2CCC2)CCC1 ZINC000263114943 536607834 /nfs/dbraw/zinc/60/78/34/536607834.db2.gz LJGSQVFUSVTLPT-UHFFFAOYSA-N 1 0 211.309 0.966 20 30 BCEDRO COc1ccc(NC(=[NH2+])N[C@H]2C[C@@H](O)C2)cc1 ZINC000263041696 536655801 /nfs/dbraw/zinc/65/58/01/536655801.db2.gz CLIRFTNGZDUHAB-AOOOYVTPSA-N 1 0 235.287 0.945 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000262573794 536853213 /nfs/dbraw/zinc/85/32/13/536853213.db2.gz ZOWIYUBRXMBGMW-YNEHKIRRSA-N 1 0 245.326 0.875 20 30 BCEDRO COCCNC(=[NH2+])N[C@H]1COc2ccccc21 ZINC000262668531 536853231 /nfs/dbraw/zinc/85/32/31/536853231.db2.gz OLIOTRJRZXUUIZ-JTQLQIEISA-N 1 0 235.287 0.671 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262514504 536853666 /nfs/dbraw/zinc/85/36/66/536853666.db2.gz FPXWPQMGKXKXRY-OPRDCNLKSA-N 1 0 241.335 0.351 20 30 BCEDRO COc1cccc(CNC(=[NH2+])N(C)C2CC2)n1 ZINC000262195858 537096695 /nfs/dbraw/zinc/09/66/95/537096695.db2.gz GRQDTLVJNWUDFQ-UHFFFAOYSA-N 1 0 234.303 0.999 20 30 BCEDRO COc1cccnc1CNC1=[NH+]CCN1C ZINC000263176721 537111670 /nfs/dbraw/zinc/11/16/70/537111670.db2.gz STRZGRAAIDZBTE-UHFFFAOYSA-N 1 0 220.276 0.481 20 30 BCEDRO COc1ncccc1CNC(=[NH2+])N(C)C ZINC000170911691 537157001 /nfs/dbraw/zinc/15/70/01/537157001.db2.gz RVONESVRNQFWJW-UHFFFAOYSA-N 1 0 208.265 0.467 20 30 BCEDRO N#C[C@H]1CCC[C@@H]1NC(=O)NCC[NH+]1CCC1 ZINC000332897352 566377363 /nfs/dbraw/zinc/37/73/63/566377363.db2.gz MOXNJMZETRYIFV-MNOVXSKESA-N 1 0 236.319 0.684 20 30 BCEDRO C#CCC(CC#C)C(=O)N(C)CC[NH+](C)C ZINC000289299850 566384242 /nfs/dbraw/zinc/38/42/42/566384242.db2.gz VMINQGQUXMMKGQ-UHFFFAOYSA-N 1 0 220.316 0.669 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@H]1COC(C)(C)O1 ZINC000852163328 583008344 /nfs/dbraw/zinc/00/83/44/583008344.db2.gz YXCKGHQQFMHYLU-MNOVXSKESA-N 1 0 225.288 0.472 20 30 BCEDRO C#C[C@@H](NC(NCC)=[NH+]CC)C1CCOCC1 ZINC000853013134 588715386 /nfs/dbraw/zinc/71/53/86/588715386.db2.gz SFKNKGNVYRNTND-GFCCVEGCSA-N 1 0 237.347 0.990 20 30 BCEDRO C#C[C@H](NC(NC)=[NH+]C)C1CCOCC1 ZINC000853012486 588715407 /nfs/dbraw/zinc/71/54/07/588715407.db2.gz BCJNZYXVQMFGKM-JTQLQIEISA-N 1 0 209.293 0.210 20 30 BCEDRO C#C[C@@H](NC(NC)=[NH+]C)C1CCOCC1 ZINC000853012487 588715437 /nfs/dbraw/zinc/71/54/37/588715437.db2.gz BCJNZYXVQMFGKM-SNVBAGLBSA-N 1 0 209.293 0.210 20 30 BCEDRO CNC(NCC1(CC(N)=O)CCCCC1)=[NH+]C ZINC000853012582 588715523 /nfs/dbraw/zinc/71/55/23/588715523.db2.gz BBNNBKBRWFZSJX-UHFFFAOYSA-N 1 0 240.351 0.607 20 30 BCEDRO COC(=O)N(C)CC[NH2+]C[C@@H](C#N)CCC#N ZINC000853079375 588718828 /nfs/dbraw/zinc/71/88/28/588718828.db2.gz RGDNKGXCIYGOOY-SNVBAGLBSA-N 1 0 238.291 0.718 20 30 BCEDRO COC(=O)N(C)CC[NH2+]C[C@H](C#N)CCC#N ZINC000853079374 588718874 /nfs/dbraw/zinc/71/88/74/588718874.db2.gz RGDNKGXCIYGOOY-JTQLQIEISA-N 1 0 238.291 0.718 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)c1ccccn1 ZINC000853108958 588721033 /nfs/dbraw/zinc/72/10/33/588721033.db2.gz KLDDVOBJRYHAMP-PWSUYJOCSA-N 1 0 220.272 0.089 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)C1CC1)C1CCOCC1 ZINC000853115911 588721484 /nfs/dbraw/zinc/72/14/84/588721484.db2.gz DMXHBUMSWLBSDK-CHWSQXEVSA-N 1 0 223.316 0.775 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCOC1(C)C ZINC000853124312 588721875 /nfs/dbraw/zinc/72/18/75/588721875.db2.gz FOSKJVLMVSFEFY-NSHDSACASA-N 1 0 238.331 0.531 20 30 BCEDRO C#Cc1cccnc1NC[C@@H]1C[N@@H+](C)CCN1C ZINC000853316062 588732239 /nfs/dbraw/zinc/73/22/39/588732239.db2.gz GNKKHDICBZAECV-CYBMUJFWSA-N 1 0 244.342 0.721 20 30 BCEDRO COC1(C(C)=NNC2=[NH+][C@@H](C)CN2)CCC1 ZINC000853330241 588733565 /nfs/dbraw/zinc/73/35/65/588733565.db2.gz LBDXQSCUNAHCAS-QMMMGPOBSA-N 1 0 224.308 0.869 20 30 BCEDRO CCC(=NNC1=[NH+]CCN1)c1cccc(OC)n1 ZINC000853357148 588737819 /nfs/dbraw/zinc/73/78/19/588737819.db2.gz BWAVGIOJHNBZGT-UHFFFAOYSA-N 1 0 247.302 0.753 20 30 BCEDRO COCc1csc(C=NNC2=[NH+]CCN2)c1 ZINC000853357915 588737900 /nfs/dbraw/zinc/73/79/00/588737900.db2.gz OCWZXUOBOQAIOL-UHFFFAOYSA-N 1 0 238.316 0.777 20 30 BCEDRO C#C[C@H](CC)NC(=O)NCC[N@H+](CC)CCO ZINC000854074308 588773287 /nfs/dbraw/zinc/77/32/87/588773287.db2.gz BFBUESYGZOFXHY-LLVKDONJSA-N 1 0 241.335 0.012 20 30 BCEDRO C#C[C@H](CC)NC(=O)N(C)CCC[NH+](C)C ZINC000854075512 588773511 /nfs/dbraw/zinc/77/35/11/588773511.db2.gz PUSZEBFCEXLUJT-LLVKDONJSA-N 1 0 225.336 0.991 20 30 BCEDRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCCO ZINC000111997835 588777904 /nfs/dbraw/zinc/77/79/04/588777904.db2.gz HEEJNZJQPVERPC-SECBINFHSA-N 1 0 215.297 0.142 20 30 BCEDRO C=CCCCC(=O)N[C@H](CO)C[NH+](C)C ZINC000854466880 588788863 /nfs/dbraw/zinc/78/88/63/588788863.db2.gz NHNONDHBSAWDQR-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000854546256 588792988 /nfs/dbraw/zinc/79/29/88/588792988.db2.gz AGBACPRCUHSVTK-NEPJUHHUSA-N 1 0 238.331 0.361 20 30 BCEDRO CC#CC(=O)N1CCOC[C@H]1[C@@H]1CCC[N@@H+]1C ZINC000854642393 588798900 /nfs/dbraw/zinc/79/89/00/588798900.db2.gz LNKCXLRUEPEUBO-RYUDHWBXSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000854651479 588799267 /nfs/dbraw/zinc/79/92/67/588799267.db2.gz CYHJPEGJPQHQLD-NWDGAFQWSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CCc1ccon1 ZINC000854664453 588799941 /nfs/dbraw/zinc/79/99/41/588799941.db2.gz VKSCMCXSNVHNCY-UHFFFAOYSA-N 1 0 249.314 0.679 20 30 BCEDRO CON=CC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000854734762 588804532 /nfs/dbraw/zinc/80/45/32/588804532.db2.gz CMFILJOHDYNVBV-LBPRGKRZSA-N 1 0 239.319 0.563 20 30 BCEDRO CC#CC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000854735579 588804605 /nfs/dbraw/zinc/80/46/05/588804605.db2.gz SMMPKMFVPFDFTI-CYBMUJFWSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CCC23COC3)CC1 ZINC000854837546 588812840 /nfs/dbraw/zinc/81/28/40/588812840.db2.gz KRIWVYRWZAZEBD-UHFFFAOYSA-N 1 0 248.326 0.333 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)NOCC[NH+](C)C ZINC000854945271 588817889 /nfs/dbraw/zinc/81/78/89/588817889.db2.gz MVZIJASHECRGBA-UHFFFAOYSA-N 1 0 236.275 0.120 20 30 BCEDRO C#Cc1cncc(C(=O)NOCC[NH+](C)C)c1 ZINC000854945534 588817921 /nfs/dbraw/zinc/81/79/21/588817921.db2.gz SGFAUECBWDUHJV-UHFFFAOYSA-N 1 0 233.271 0.286 20 30 BCEDRO CON=CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000855165480 588824780 /nfs/dbraw/zinc/82/47/80/588824780.db2.gz WGKWIZVIPCUOCM-SECBINFHSA-N 1 0 227.308 0.608 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@@H](COC)OC ZINC000855221275 588826260 /nfs/dbraw/zinc/82/62/60/588826260.db2.gz IIWOSBOPCMJEFF-NSHDSACASA-N 1 0 244.335 0.272 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000890527396 582466983 /nfs/dbraw/zinc/46/69/83/582466983.db2.gz RZSIFLCPQFFDSG-NEPJUHHUSA-N 1 0 248.326 0.210 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000890527453 582467375 /nfs/dbraw/zinc/46/73/75/582467375.db2.gz SKLHZSPYRCXLQO-LBPRGKRZSA-N 1 0 248.326 0.210 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCOCC[C@@H]1C ZINC000890528851 582468444 /nfs/dbraw/zinc/46/84/44/582468444.db2.gz WETZLRLRJRUUFQ-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCOCC[C@H]1C ZINC000890528850 582468599 /nfs/dbraw/zinc/46/85/99/582468599.db2.gz WETZLRLRJRUUFQ-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCn1cc(CNc2cc[nH+]c(CO)c2)nn1 ZINC000858582112 582468913 /nfs/dbraw/zinc/46/89/13/582468913.db2.gz NBJFELROYCVIIZ-UHFFFAOYSA-N 1 0 245.286 0.964 20 30 BCEDRO C=CC[C@H]1CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000890555242 582475068 /nfs/dbraw/zinc/47/50/68/582475068.db2.gz GIVZLIUIPMETRA-QWHCGFSZSA-N 1 0 249.358 0.553 20 30 BCEDRO CCN(C(=O)C=NOC)[C@@H]1CC[N@H+](C)C1 ZINC000855361937 588829053 /nfs/dbraw/zinc/82/90/53/588829053.db2.gz WYTDMURVNFOOGG-SECBINFHSA-N 1 0 213.281 0.171 20 30 BCEDRO C#CCOCCC(=O)NCC[C@H](C)[NH+](C)C ZINC000855415606 588832063 /nfs/dbraw/zinc/83/20/63/588832063.db2.gz KSWCTYLVEDOASJ-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCO[C@H]1CC1(F)F ZINC000855607945 588841781 /nfs/dbraw/zinc/84/17/81/588841781.db2.gz BZWPHJPHEHNCAV-VIFPVBQESA-N 1 0 248.273 0.645 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCCCCC#N ZINC000891512380 582694603 /nfs/dbraw/zinc/69/46/03/582694603.db2.gz MJLZUKNILCGWJV-NXEZZACHSA-N 1 0 224.308 0.811 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)C(O)[C@H](C)C1 ZINC000855687285 588845020 /nfs/dbraw/zinc/84/50/20/588845020.db2.gz CFICKFDRACRXTN-NXEZZACHSA-N 1 0 240.347 0.580 20 30 BCEDRO C#CCSCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891588490 582699571 /nfs/dbraw/zinc/69/95/71/582699571.db2.gz DBXIDJJOMKNVPY-AOOOYVTPSA-N 1 0 241.360 0.389 20 30 BCEDRO C=C(C)COCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891683064 582709685 /nfs/dbraw/zinc/70/96/85/582709685.db2.gz QEJPUWIFTPYWKO-GHMZBOCLSA-N 1 0 241.335 0.710 20 30 BCEDRO N#CCCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000891770459 582718675 /nfs/dbraw/zinc/71/86/75/582718675.db2.gz XCXLFWOKVASSQU-ZJUUUORDSA-N 1 0 224.308 0.859 20 30 BCEDRO N#CCCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891770545 582718776 /nfs/dbraw/zinc/71/87/76/582718776.db2.gz ZZPMJPKVTLHJNL-CMPLNLGQSA-N 1 0 236.319 0.874 20 30 BCEDRO CC#CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891813219 582725442 /nfs/dbraw/zinc/72/54/42/582725442.db2.gz ISOYRJZOWROLSD-NWDGAFQWSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891847678 582729905 /nfs/dbraw/zinc/72/99/05/582729905.db2.gz COCZZPSIIZFBEP-NWDGAFQWSA-N 1 0 235.331 0.936 20 30 BCEDRO N#CC1(CNC(=O)N[C@@]23CCC[C@H]2[NH2+]CC3)CC1 ZINC000891876583 582733544 /nfs/dbraw/zinc/73/35/44/582733544.db2.gz SJGKLMOPZIPBPA-ZWNOBZJWSA-N 1 0 248.330 0.874 20 30 BCEDRO N#CC1(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000891874615 582733777 /nfs/dbraw/zinc/73/37/77/582733777.db2.gz HRPQTWBCFPPOMB-KYZUINATSA-N 1 0 222.292 0.327 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C(C)C ZINC000891904590 582736439 /nfs/dbraw/zinc/73/64/39/582736439.db2.gz KZBACPZUDVDDSQ-SGMGOOAPSA-N 1 0 249.358 0.895 20 30 BCEDRO C#CCSCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000891906990 582736589 /nfs/dbraw/zinc/73/65/89/582736589.db2.gz PNDCZICVUVUBHT-NSHDSACASA-N 1 0 240.372 0.905 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@H]1C)C(C)C ZINC000891905619 582736619 /nfs/dbraw/zinc/73/66/19/582736619.db2.gz QRUATRSTUSOXIO-MXWKQRLJSA-N 1 0 223.320 0.775 20 30 BCEDRO C=CC(C)(C)CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891935786 582740817 /nfs/dbraw/zinc/74/08/17/582740817.db2.gz MAVDENBFDSKCBY-UWVGGRQHSA-N 1 0 223.320 0.954 20 30 BCEDRO CC(C)(CC#N)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891955839 582745880 /nfs/dbraw/zinc/74/58/80/582745880.db2.gz QRHMRIVAHISDNW-AOOOYVTPSA-N 1 0 238.335 0.963 20 30 BCEDRO CCCCNC(NCCN1CCOCC1)=[NH+]C ZINC000104152521 582791902 /nfs/dbraw/zinc/79/19/02/582791902.db2.gz WPAZGBGDAVCAQR-UHFFFAOYSA-N 1 0 242.367 0.284 20 30 BCEDRO C=C(CO)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000855899210 588853106 /nfs/dbraw/zinc/85/31/06/588853106.db2.gz IHPRGTUPNCMOBW-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO CNC(NCCc1cnc(C2CC2)nc1)=[NH+]C ZINC000848992961 582819806 /nfs/dbraw/zinc/81/98/06/582819806.db2.gz JKAHQBAJJRHHNL-UHFFFAOYSA-N 1 0 233.319 0.691 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](O)C12CCC2 ZINC000855921811 588854084 /nfs/dbraw/zinc/85/40/84/588854084.db2.gz ZUOLUWSCUWAADE-WDEREUQCSA-N 1 0 238.331 0.524 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCOCC2CCC2)N1 ZINC000849019509 582828259 /nfs/dbraw/zinc/82/82/59/582828259.db2.gz VXYRUTMRVJWEBR-SECBINFHSA-N 1 0 211.309 0.740 20 30 BCEDRO CN(C)C(=[NH+][C@H]1CCn2ccnc2C1)N(C)C ZINC000849020479 582828415 /nfs/dbraw/zinc/82/84/15/582828415.db2.gz VZUMBORDFHRWEO-JTQLQIEISA-N 1 0 235.335 0.677 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCOCC2CCC2)N1 ZINC000849019510 582828423 /nfs/dbraw/zinc/82/84/23/582828423.db2.gz VXYRUTMRVJWEBR-VIFPVBQESA-N 1 0 211.309 0.740 20 30 BCEDRO CNC(NCc1ccc2cnn(C)c2c1)=[NH+]C ZINC000849029661 582832082 /nfs/dbraw/zinc/83/20/82/582832082.db2.gz GCTAWUFIRGPBGY-UHFFFAOYSA-N 1 0 231.303 0.868 20 30 BCEDRO CNC(NCc1nnc(C(C)C)[nH]1)=[NH+]C ZINC000849034985 582836470 /nfs/dbraw/zinc/83/64/70/582836470.db2.gz NUMBVSURVIGXLY-UHFFFAOYSA-N 1 0 210.285 0.223 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CCOC[C@@H]1OC)NC1CC1 ZINC000849036723 582837312 /nfs/dbraw/zinc/83/73/12/582837312.db2.gz VNAJTXILDOIVTO-ONGXEEELSA-N 1 0 241.335 0.365 20 30 BCEDRO CCC[N@@H+]1CC[C@@H](NC(=O)C=NOC)C1 ZINC000856073149 588859327 /nfs/dbraw/zinc/85/93/27/588859327.db2.gz KBWPHOWUBJHICZ-SECBINFHSA-N 1 0 213.281 0.219 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892435245 582887163 /nfs/dbraw/zinc/88/71/63/582887163.db2.gz YZANPWQIEIEHLY-DCAQKATOSA-N 1 0 223.320 0.825 20 30 BCEDRO C#C[C@H](NC(=O)[C@H](C)[NH+](C)C)C1CCOCC1 ZINC000856109267 588860653 /nfs/dbraw/zinc/86/06/53/588860653.db2.gz KVJZARCXFKCLHJ-JQWIXIFHSA-N 1 0 238.331 0.481 20 30 BCEDRO N#C[C@]1(F)CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892558462 582912957 /nfs/dbraw/zinc/91/29/57/582912957.db2.gz WVFFLHVTTCEOBT-WCABBAIRSA-N 1 0 240.282 0.371 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892559874 582914440 /nfs/dbraw/zinc/91/44/40/582914440.db2.gz NNTLCDZJWFICMZ-BBBLOLIVSA-N 1 0 211.309 0.988 20 30 BCEDRO C#CCOCC[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000851744676 582966078 /nfs/dbraw/zinc/96/60/78/582966078.db2.gz LNYQVWOOSFGLAB-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H](C(=O)OC)C1 ZINC000856367233 588870509 /nfs/dbraw/zinc/87/05/09/588870509.db2.gz GOEQPVOGSNKFDP-MGCOHNPYSA-N 1 0 240.303 0.172 20 30 BCEDRO CC#CCN(C)C(=O)NCCC(C)(C)[NH3+] ZINC000892850096 582996275 /nfs/dbraw/zinc/99/62/75/582996275.db2.gz JXBQMZCQDMAHBV-UHFFFAOYSA-N 1 0 211.309 0.779 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CCC([NH3+])(CC)CC1 ZINC000892931452 583011327 /nfs/dbraw/zinc/01/13/27/583011327.db2.gz QMBPHBUONHXNBJ-JTQLQIEISA-N 1 0 223.320 0.921 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC12CC(O)C2 ZINC000888949127 583015602 /nfs/dbraw/zinc/01/56/02/583015602.db2.gz SOZOGVDZRLFOQR-QWKFWESOSA-N 1 0 238.331 0.524 20 30 BCEDRO COCC[C@@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852828079 583018153 /nfs/dbraw/zinc/01/81/53/583018153.db2.gz DQJBZUXXDOHWMQ-LLVKDONJSA-N 1 0 238.331 0.531 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1CC2(CC2)C1 ZINC000852827346 583018274 /nfs/dbraw/zinc/01/82/74/583018274.db2.gz GZLATTKJEJRBRK-ZJUUUORDSA-N 1 0 219.288 0.404 20 30 BCEDRO C#CC(=O)NC[C@H]1CCC[N@H+](CC2CC2)C1 ZINC000856477329 588873656 /nfs/dbraw/zinc/87/36/56/588873656.db2.gz OWKLLBQZWNNBLO-GFCCVEGCSA-N 1 0 220.316 0.858 20 30 BCEDRO CC(C)[C@@H]1CN(C(=O)C#CC2CC2)CC[NH2+]1 ZINC000856490881 588873885 /nfs/dbraw/zinc/87/38/85/588873885.db2.gz UAENBEACPQXNIY-LBPRGKRZSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000856753413 588875952 /nfs/dbraw/zinc/87/59/52/588875952.db2.gz ZFCHQPCYHYLUDY-NSHDSACASA-N 1 0 244.360 0.271 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000893283116 583084924 /nfs/dbraw/zinc/08/49/24/583084924.db2.gz JHMGFKQMMMLZSI-FDYHWXHSSA-N 1 0 243.347 0.953 20 30 BCEDRO C#C[C@H](CO)NC(=O)C[N@@H+](C)CCCCCC ZINC000854768215 583091831 /nfs/dbraw/zinc/09/18/31/583091831.db2.gz MPTNNOAOGCWKFP-GFCCVEGCSA-N 1 0 240.347 0.609 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000856797195 588878031 /nfs/dbraw/zinc/87/80/31/588878031.db2.gz CKUSGIBKUONLIZ-RYUDHWBXSA-N 1 0 238.331 0.076 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000856797194 588878385 /nfs/dbraw/zinc/87/83/85/588878385.db2.gz CKUSGIBKUONLIZ-NWDGAFQWSA-N 1 0 238.331 0.076 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cnccc1C#N ZINC000893873624 583238329 /nfs/dbraw/zinc/23/83/29/583238329.db2.gz RFCDVAKWKIVGPM-NSHDSACASA-N 1 0 244.298 0.777 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)NCCCCC#N ZINC000857102838 588887834 /nfs/dbraw/zinc/88/78/34/588887834.db2.gz RJHAYWYYRDYINY-VIFPVBQESA-N 1 0 212.297 0.717 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(c3cncc(C#N)n3)[C@H]2C1 ZINC000893933800 583251273 /nfs/dbraw/zinc/25/12/73/583251273.db2.gz CUHGAVAHYPQVGQ-KOLCDFICSA-N 1 0 229.287 0.489 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(c3cc(C#N)cnn3)[C@@H]2C1 ZINC000893933546 583251696 /nfs/dbraw/zinc/25/16/96/583251696.db2.gz AXIGYEOMNJSNKJ-WDEREUQCSA-N 1 0 229.287 0.489 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000893975832 583264929 /nfs/dbraw/zinc/26/49/29/583264929.db2.gz HYKSYFYJQOBVTK-IUCAKERBSA-N 1 0 231.242 0.996 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC[C@H](C)[NH3+] ZINC000857111971 588889435 /nfs/dbraw/zinc/88/94/35/588889435.db2.gz ATVODRJAJVZFCE-NSHDSACASA-N 1 0 221.304 0.392 20 30 BCEDRO CCOc1cncc(C=NNC2=[NH+]C[C@@H](C)N2)c1 ZINC000857211366 588893737 /nfs/dbraw/zinc/89/37/37/588893737.db2.gz HJCMJUHLEJYYFH-SECBINFHSA-N 1 0 247.302 0.752 20 30 BCEDRO COCCOC[C@@H](C)[NH2+]CC1(C#N)CC1 ZINC000894205267 583341845 /nfs/dbraw/zinc/34/18/45/583341845.db2.gz WVAVZOKHEHVVQN-SNVBAGLBSA-N 1 0 212.293 0.931 20 30 BCEDRO COCCOC[C@H](C)[NH2+]CC1(C#N)CC1 ZINC000894205266 583341969 /nfs/dbraw/zinc/34/19/69/583341969.db2.gz WVAVZOKHEHVVQN-JTQLQIEISA-N 1 0 212.293 0.931 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(C#N)o3)[C@H]2C1 ZINC000814145971 583342528 /nfs/dbraw/zinc/34/25/28/583342528.db2.gz PMUJWTJGGWAMCY-KOLCDFICSA-N 1 0 245.282 0.927 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857242503 588901031 /nfs/dbraw/zinc/90/10/31/588901031.db2.gz FUZSUUJVDNYFMO-MNOVXSKESA-N 1 0 224.304 0.261 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)C(C)(C)c1c[nH]cn1 ZINC000857223500 588895663 /nfs/dbraw/zinc/89/56/63/588895663.db2.gz SRKWIASZANOMMV-JTQLQIEISA-N 1 0 249.314 0.578 20 30 BCEDRO C#Cc1ccc(C(=O)NC2CC([NH+](C)C)C2)cn1 ZINC000857230091 588896948 /nfs/dbraw/zinc/89/69/48/588896948.db2.gz CVZNVVZCTDTKIA-UHFFFAOYSA-N 1 0 243.310 0.885 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000857230772 588897329 /nfs/dbraw/zinc/89/73/29/588897329.db2.gz MIFWCSKONJOWBR-BPCQOVAHSA-N 1 0 249.358 0.293 20 30 BCEDRO COc1cccc(C=NNC(N)=[NH2+])c1OC ZINC000017324440 583440704 /nfs/dbraw/zinc/44/07/04/583440704.db2.gz MBBVCAXPOIMXDG-UHFFFAOYSA-N 1 0 222.248 0.521 20 30 BCEDRO C#C[C@H]([NH2+]C1CCN(C=O)CC1)C(C)C ZINC000894387740 583444768 /nfs/dbraw/zinc/44/47/68/583444768.db2.gz USAMXQJYIODLQO-LBPRGKRZSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CCCCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000841858698 583449292 /nfs/dbraw/zinc/44/92/92/583449292.db2.gz CJIPPRIUEZHZTE-VHSXEESVSA-N 1 0 211.309 0.825 20 30 BCEDRO C#CCCCCNC(=O)NCC[NH2+]CC ZINC000841858734 583449599 /nfs/dbraw/zinc/44/95/99/583449599.db2.gz DZFVKDLQIMTXMG-UHFFFAOYSA-N 1 0 211.309 0.699 20 30 BCEDRO CC1(O)CCC([NH2+]CCn2cnc(C#N)n2)CC1 ZINC000894420760 583455836 /nfs/dbraw/zinc/45/58/36/583455836.db2.gz XPGBZTUKOGTKCG-UHFFFAOYSA-N 1 0 249.318 0.433 20 30 BCEDRO COC(=O)[C@@H]1[C@@H](C[NH2+]CCCC#N)C1(F)F ZINC000894446047 583460874 /nfs/dbraw/zinc/46/08/74/583460874.db2.gz WYWXVVUFHZSUSI-SFYZADRCSA-N 1 0 232.230 0.934 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCC#N)C1 ZINC000894484278 583470365 /nfs/dbraw/zinc/47/03/65/583470365.db2.gz DSNYIWQLYURZOO-UWVGGRQHSA-N 1 0 222.292 0.246 20 30 BCEDRO C[N@@H+]1CCCC[C@H](CNC(=O)NCCC#N)C1 ZINC000894485981 583471331 /nfs/dbraw/zinc/47/13/31/583471331.db2.gz RNXLNBJARSQTJM-LLVKDONJSA-N 1 0 238.335 0.931 20 30 BCEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)NCCC#N)C1 ZINC000894485982 583471658 /nfs/dbraw/zinc/47/16/58/583471658.db2.gz RNXLNBJARSQTJM-NSHDSACASA-N 1 0 238.335 0.931 20 30 BCEDRO C[C@@H]1CC[N@H+](CCNC(=O)NCCC#N)C1 ZINC000894486125 583471687 /nfs/dbraw/zinc/47/16/87/583471687.db2.gz RZQMRIXWAGMOME-SNVBAGLBSA-N 1 0 224.308 0.541 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCC2(C#N)CC2)C1 ZINC000894568385 583485156 /nfs/dbraw/zinc/48/51/56/583485156.db2.gz BSXTYEHIBPLMQB-QWRGUYRKSA-N 1 0 248.330 0.636 20 30 BCEDRO C#C[C@H](C)[NH2+]C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894737540 583515013 /nfs/dbraw/zinc/51/50/13/583515013.db2.gz BXJJHFILVLPORF-BIIVOSGPSA-N 1 0 217.215 0.652 20 30 BCEDRO CC1(C)COC[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000894750386 583516227 /nfs/dbraw/zinc/51/62/27/583516227.db2.gz VPESQPJVAJYBNY-VIFPVBQESA-N 1 0 235.291 0.164 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880437617 583537531 /nfs/dbraw/zinc/53/75/31/583537531.db2.gz OHUVZGROYGBUOP-RYUDHWBXSA-N 1 0 229.320 0.925 20 30 BCEDRO C[NH+](C)CC#CCNc1cc(Cl)[nH]c(=O)n1 ZINC000894877100 583541740 /nfs/dbraw/zinc/54/17/40/583541740.db2.gz VLPGLRUYWUMLBM-UHFFFAOYSA-N 1 0 240.694 0.813 20 30 BCEDRO C[C@@H](C#N)OCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000881323226 583551448 /nfs/dbraw/zinc/55/14/48/583551448.db2.gz DKZWGZBJNJQRQN-WDEREUQCSA-N 1 0 249.318 0.674 20 30 BCEDRO C#C[C@H](CC)NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000894937621 583558607 /nfs/dbraw/zinc/55/86/07/583558607.db2.gz RTEGJSQZKJRPLW-UTUOFQBUSA-N 1 0 235.331 0.744 20 30 BCEDRO CC1(C[NH+]2CCN(C(=O)CC#N)CC2)CC1 ZINC000895065688 583577948 /nfs/dbraw/zinc/57/79/48/583577948.db2.gz HGNUGMDBNJCTFJ-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO C[C@@H](C1CC1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895065652 583578087 /nfs/dbraw/zinc/57/80/87/583578087.db2.gz GCJDSGVKKKDFLY-JTQLQIEISA-N 1 0 221.304 0.843 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc(Cl)nn1 ZINC000895097415 583588409 /nfs/dbraw/zinc/58/84/09/583588409.db2.gz FNTIERKQRUUZIE-SNVBAGLBSA-N 1 0 239.706 0.994 20 30 BCEDRO C#CCOCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000841873838 583589900 /nfs/dbraw/zinc/58/99/00/583589900.db2.gz ASSDMNKTXYGQKD-MNOVXSKESA-N 1 0 239.319 0.028 20 30 BCEDRO C#CCOCCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000841874975 583591227 /nfs/dbraw/zinc/59/12/27/583591227.db2.gz LZLBSBOEPCDNOT-NSHDSACASA-N 1 0 241.335 0.309 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)COC(C)=O ZINC000895132824 583601409 /nfs/dbraw/zinc/60/14/09/583601409.db2.gz YRZVZWLKZSXPKC-GXSJLCMTSA-N 1 0 213.277 0.302 20 30 BCEDRO CCC[C@H](C[NH2+][C@H]1CCCN(O)C1=O)OC ZINC000895158628 583608608 /nfs/dbraw/zinc/60/86/08/583608608.db2.gz LEJPLODASFIIOS-ZJUUUORDSA-N 1 0 230.308 0.771 20 30 BCEDRO C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@H]1CCOC1 ZINC000895159791 583609422 /nfs/dbraw/zinc/60/94/22/583609422.db2.gz IEVZEUSMJXVPCA-GUBZILKMSA-N 1 0 228.292 0.381 20 30 BCEDRO O=C1[C@H]([NH2+]C2CCOCC2)CCCN1O ZINC000895160582 583609955 /nfs/dbraw/zinc/60/99/55/583609955.db2.gz BJTYYQDSBUYGOW-SECBINFHSA-N 1 0 214.265 0.135 20 30 BCEDRO Cn1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)c1 ZINC000895161356 583610324 /nfs/dbraw/zinc/61/03/24/583610324.db2.gz FXCHGYVXUULQJT-SNVBAGLBSA-N 1 0 223.276 0.495 20 30 BCEDRO COCCOC[C@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895196277 583623181 /nfs/dbraw/zinc/62/31/81/583623181.db2.gz JTGRRVZDVVMQAI-UWVGGRQHSA-N 1 0 246.307 0.008 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000895249172 583632272 /nfs/dbraw/zinc/63/22/72/583632272.db2.gz OYVPHAASARFQDC-WDEREUQCSA-N 1 0 239.319 0.982 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2cn(C)nc2C)CC1 ZINC000895382492 583662141 /nfs/dbraw/zinc/66/21/41/583662141.db2.gz HFVVXQRWGCSBIW-UHFFFAOYSA-N 1 0 233.315 0.689 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H](C)COC)CC1 ZINC000895384028 583663231 /nfs/dbraw/zinc/66/32/31/583663231.db2.gz GCWDYRGNFJMBHH-LLVKDONJSA-N 1 0 211.305 0.729 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)COCCOC ZINC000895461609 583678132 /nfs/dbraw/zinc/67/81/32/583678132.db2.gz VPOLQVHRHHSEFS-NXEZZACHSA-N 1 0 203.282 0.174 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1cn(CC)nn1 ZINC000895668704 583705669 /nfs/dbraw/zinc/70/56/69/583705669.db2.gz NIMBGRIKKXDXKH-LLVKDONJSA-N 1 0 236.319 0.816 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000895679881 583706489 /nfs/dbraw/zinc/70/64/89/583706489.db2.gz RMQIDWRDERAYED-WDEREUQCSA-N 1 0 223.320 0.744 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000895690942 583707214 /nfs/dbraw/zinc/70/72/14/583707214.db2.gz BPSJIOSGSGZKJP-MNOVXSKESA-N 1 0 223.320 0.908 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000895747735 583716784 /nfs/dbraw/zinc/71/67/84/583716784.db2.gz JIULWWHYRMLXOW-STQMWFEESA-N 1 0 249.358 0.342 20 30 BCEDRO C[C@H]1[C@@H](Nc2c(C#N)cnn2C)CC[N@@H+]1C ZINC000895736510 583717705 /nfs/dbraw/zinc/71/77/05/583717705.db2.gz JWKFQFNTCQTUAE-WPRPVWTQSA-N 1 0 219.292 0.796 20 30 BCEDRO C#CC[NH+]1CCC(Nc2ncncc2C#N)CC1 ZINC000895808881 583729690 /nfs/dbraw/zinc/72/96/90/583729690.db2.gz WBYVACKKKSULRL-UHFFFAOYSA-N 1 0 241.298 0.280 20 30 BCEDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000895796778 583730416 /nfs/dbraw/zinc/73/04/16/583730416.db2.gz PKGNVTHKUZKQQO-RCWTZXSCSA-N 1 0 242.344 0.701 20 30 BCEDRO CC(C)(CCC#N)C[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895946760 583749629 /nfs/dbraw/zinc/74/96/29/583749629.db2.gz VNCCRGZGRHUGBH-ZJUUUORDSA-N 1 0 239.319 0.237 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(OC)o1 ZINC000895965466 583754372 /nfs/dbraw/zinc/75/43/72/583754372.db2.gz WSGAVZFRRCZOAV-SECBINFHSA-N 1 0 209.245 0.762 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(OC)o1 ZINC000895965467 583754719 /nfs/dbraw/zinc/75/47/19/583754719.db2.gz WSGAVZFRRCZOAV-VIFPVBQESA-N 1 0 209.245 0.762 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)COCCOC ZINC000896035044 583764333 /nfs/dbraw/zinc/76/43/33/583764333.db2.gz NIEXVRRJGMSCBQ-NWDGAFQWSA-N 1 0 231.336 0.955 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)COC(C)=O)C1 ZINC000896042923 583766998 /nfs/dbraw/zinc/76/69/98/583766998.db2.gz JBJNFXLRZUWDAP-AAEUAGOBSA-N 1 0 238.331 0.625 20 30 BCEDRO CCO[C@@H](CNc1ncncc1C#N)C[NH+](C)C ZINC000896114125 583772163 /nfs/dbraw/zinc/77/21/63/583772163.db2.gz XCHBFZDAYHYBBU-NSHDSACASA-N 1 0 249.318 0.149 20 30 BCEDRO CCO[C@H](CNc1ncncc1C#N)C[NH+](C)C ZINC000896114124 583772311 /nfs/dbraw/zinc/77/23/11/583772311.db2.gz XCHBFZDAYHYBBU-LLVKDONJSA-N 1 0 249.318 0.149 20 30 BCEDRO C#CCCN1CCc2cnc(N)nc2C1 ZINC000857924892 588924552 /nfs/dbraw/zinc/92/45/52/588924552.db2.gz YIFFJJIFYAQACG-UHFFFAOYSA-N 1 0 202.261 0.440 20 30 BCEDRO Cn1ncc(C#N)c1N1C[C@H]2C[NH+](C)C[C@@]2(C)C1 ZINC000896912316 583853578 /nfs/dbraw/zinc/85/35/78/583853578.db2.gz SHUKSVFQBUYMCC-YPMHNXCESA-N 1 0 245.330 0.680 20 30 BCEDRO C#CC[C@H](COC)NC(=O)NCCC[NH+](C)C ZINC000858104041 588933231 /nfs/dbraw/zinc/93/32/31/588933231.db2.gz WDAQZPNRQSVTKY-LLVKDONJSA-N 1 0 241.335 0.276 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000728571768 583897751 /nfs/dbraw/zinc/89/77/51/583897751.db2.gz MRMFOXBZMNZNSP-NSHDSACASA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000841912934 583901927 /nfs/dbraw/zinc/90/19/27/583901927.db2.gz FKGNZVIVIKDHRH-NXEZZACHSA-N 1 0 225.292 0.497 20 30 BCEDRO C#CCCCNC(=O)NC[C@@H]1COCCN1C ZINC000858258009 588940624 /nfs/dbraw/zinc/94/06/24/588940624.db2.gz UBXRPDYACHOHHZ-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](O)c1ccnn1C ZINC000897302852 583912015 /nfs/dbraw/zinc/91/20/15/583912015.db2.gz YKBPSMKENZFYPV-ZYHUDNBSSA-N 1 0 236.319 0.983 20 30 BCEDRO C=C(Cl)CNC(=O)NCCC[NH2+]C ZINC000841915596 583917086 /nfs/dbraw/zinc/91/70/86/583917086.db2.gz TWZDJKYGEZKQNL-UHFFFAOYSA-N 1 0 205.689 0.648 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)co1 ZINC000870944784 583932004 /nfs/dbraw/zinc/93/20/04/583932004.db2.gz KRQMXGCRVWRQPR-KCJUWKMLSA-N 1 0 231.255 0.585 20 30 BCEDRO Cc1nnc(C=NNC2=[NH+]C[C@@H](C)N2)s1 ZINC000863105263 583976051 /nfs/dbraw/zinc/97/60/51/583976051.db2.gz LDCPYDFBYWKZPT-RXMQYKEDSA-N 1 0 224.293 0.118 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1cnn(CC)n1 ZINC000858334042 588946532 /nfs/dbraw/zinc/94/65/32/588946532.db2.gz GWQWIILSULNLPU-LLVKDONJSA-N 1 0 236.319 0.816 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1c(C)nnn1CC ZINC000858334148 588946638 /nfs/dbraw/zinc/94/66/38/588946638.db2.gz HXPJZPJOOZPDDZ-LLVKDONJSA-N 1 0 236.319 0.734 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1cn[nH]c1 ZINC000858333953 588946772 /nfs/dbraw/zinc/94/67/72/588946772.db2.gz QGHHPNXWSPRJBC-LLVKDONJSA-N 1 0 207.277 0.928 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cnc(C)nc1 ZINC000858335835 588947316 /nfs/dbraw/zinc/94/73/16/588947316.db2.gz JOBUBMSHMXZVFD-LBPRGKRZSA-N 1 0 219.288 0.913 20 30 BCEDRO C#CC(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000897509414 583998893 /nfs/dbraw/zinc/99/88/93/583998893.db2.gz YFKRIUOFWZHSQL-UHFFFAOYSA-N 1 0 206.289 0.706 20 30 BCEDRO C=CCCN(C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897517570 583999885 /nfs/dbraw/zinc/99/98/85/583999885.db2.gz VSDYXDJZTZUCBX-GFCCVEGCSA-N 1 0 238.331 0.742 20 30 BCEDRO CC1(C#N)CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000897631383 584033210 /nfs/dbraw/zinc/03/32/10/584033210.db2.gz WSWWBCIPTAXFPY-NSHDSACASA-N 1 0 249.314 0.079 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897648653 584034820 /nfs/dbraw/zinc/03/48/20/584034820.db2.gz CZVXEDQCGJWOCZ-QWRGUYRKSA-N 1 0 240.347 0.912 20 30 BCEDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000897890316 584057643 /nfs/dbraw/zinc/05/76/43/584057643.db2.gz MFTDIMSOZPMCEY-CHWSQXEVSA-N 1 0 247.298 0.847 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CCCc1nnnn1C ZINC000898038763 584079920 /nfs/dbraw/zinc/07/99/20/584079920.db2.gz QBOPKCOUGBLIQN-SNVBAGLBSA-N 1 0 236.323 0.672 20 30 BCEDRO C#CCCCCNc1nc(N)[nH+]c(N)n1 ZINC000858442957 588955474 /nfs/dbraw/zinc/95/54/74/588955474.db2.gz DLCJBIGOIIIIIF-UHFFFAOYSA-N 1 0 206.253 0.251 20 30 BCEDRO C#CC1(O)CN(CC2CC[NH+](C)CC2)C1 ZINC000898144903 584086549 /nfs/dbraw/zinc/08/65/49/584086549.db2.gz QZJYLUTVDAHZAW-UHFFFAOYSA-N 1 0 208.305 0.008 20 30 BCEDRO C#CCCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000866133390 584115952 /nfs/dbraw/zinc/11/59/52/584115952.db2.gz HKPKQYSUTXJIPN-UHFFFAOYSA-N 1 0 248.330 0.588 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898601682 584145782 /nfs/dbraw/zinc/14/57/82/584145782.db2.gz RDLCYARZSPCXEH-LBPRGKRZSA-N 1 0 224.304 0.230 20 30 BCEDRO C#CCSCC(=O)NCC[C@@H](C)[NH+](C)C ZINC000898669349 584148409 /nfs/dbraw/zinc/14/84/09/584148409.db2.gz OKZQAWFHEXTTTI-SNVBAGLBSA-N 1 0 228.361 0.809 20 30 BCEDRO C=C1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000898705736 584152776 /nfs/dbraw/zinc/15/27/76/584152776.db2.gz MLLKWQGLDGRBNO-NSHDSACASA-N 1 0 222.288 0.106 20 30 BCEDRO C#CC1(O)CCN(C(=O)C[N@@H+](C)CCC)CC1 ZINC000899116253 584176337 /nfs/dbraw/zinc/17/63/37/584176337.db2.gz IVBHILUMVFOQQU-UHFFFAOYSA-N 1 0 238.331 0.315 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000899244378 584186147 /nfs/dbraw/zinc/18/61/47/584186147.db2.gz AGVZOCMCMSIOHK-CMPLNLGQSA-N 1 0 221.304 0.533 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000899234802 584186728 /nfs/dbraw/zinc/18/67/28/584186728.db2.gz RLIIPZTTXTUACL-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000899234804 584187007 /nfs/dbraw/zinc/18/70/07/584187007.db2.gz RLIIPZTTXTUACL-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000899248861 584187653 /nfs/dbraw/zinc/18/76/53/584187653.db2.gz RHXOLQPUWIXXNG-NSHDSACASA-N 1 0 209.293 0.710 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000899249366 584188526 /nfs/dbraw/zinc/18/85/26/584188526.db2.gz YFFQBFAJFPPUND-ONGXEEELSA-N 1 0 209.293 0.695 20 30 BCEDRO CCc1onc(C)c1CNC(NC)=[NH+]C ZINC000899262921 584190529 /nfs/dbraw/zinc/19/05/29/584190529.db2.gz VIWFRUFSQLEKEH-UHFFFAOYSA-N 1 0 210.281 0.840 20 30 BCEDRO CNC(NCC[C@@H](N(C)C)C(F)(F)F)=[NH+]C ZINC000899262763 584190574 /nfs/dbraw/zinc/19/05/74/584190574.db2.gz PQZKZDLGYOSDMD-SSDOTTSWSA-N 1 0 240.273 0.664 20 30 BCEDRO CCNC(NCC[C@@H]1CNC(=O)C1)=[NH+]CC ZINC000899262210 584190626 /nfs/dbraw/zinc/19/06/26/584190626.db2.gz HMHZVNZEHHWUTK-VIFPVBQESA-N 1 0 226.324 0.088 20 30 BCEDRO CNC(NCC#C[C@@H]1CCCCO1)=[NH+]C ZINC000899263819 584191153 /nfs/dbraw/zinc/19/11/53/584191153.db2.gz PMQAZXZGFALYLB-JTQLQIEISA-N 1 0 209.293 0.354 20 30 BCEDRO C#CCOCCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899270233 584193520 /nfs/dbraw/zinc/19/35/20/584193520.db2.gz JAUPGYUMCGGNAY-SECBINFHSA-N 1 0 209.293 0.549 20 30 BCEDRO C#CCNC(=S)NC[C@@H](C[NH+](C)C)OCC ZINC000899567339 584219774 /nfs/dbraw/zinc/21/97/74/584219774.db2.gz VHYOBOULGARYGL-JTQLQIEISA-N 1 0 243.376 0.050 20 30 BCEDRO N#CC1(CCCCn2nnnc2C[NH3+])CCC1 ZINC000899633276 584221506 /nfs/dbraw/zinc/22/15/06/584221506.db2.gz RTPJXZUAJKAUFM-UHFFFAOYSA-N 1 0 234.307 0.996 20 30 BCEDRO N#Cc1cc(=O)n(C[C@@H]2CCCC[NH2+]C2)cn1 ZINC000899629457 584222158 /nfs/dbraw/zinc/22/21/58/584222158.db2.gz HJJWYEMHLOYIDA-SNVBAGLBSA-N 1 0 232.287 0.505 20 30 BCEDRO C=CCCCC(=O)NCC[N@H+](C)CCO ZINC000899734435 584235311 /nfs/dbraw/zinc/23/53/11/584235311.db2.gz GAMHAUBYRQTMOK-UHFFFAOYSA-N 1 0 214.309 0.383 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC000899909467 584249253 /nfs/dbraw/zinc/24/92/53/584249253.db2.gz OUOKKSBYJZKCRZ-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC(=O)N1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000899927102 584255451 /nfs/dbraw/zinc/25/54/51/584255451.db2.gz RLHOSPHKCNUWLU-GFCCVEGCSA-N 1 0 236.315 0.379 20 30 BCEDRO CC1(C)C[NH2+]C[C@H]1Nc1ccc(C#N)c(N)n1 ZINC000900019503 584266928 /nfs/dbraw/zinc/26/69/28/584266928.db2.gz BIZYQSDFHYMTST-SECBINFHSA-N 1 0 231.303 0.945 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CCC)CCO ZINC000900148105 584279148 /nfs/dbraw/zinc/27/91/48/584279148.db2.gz BFAHBWXVTLXJSF-UHFFFAOYSA-N 1 0 228.336 0.725 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC(C)(C)C(N)=O ZINC000900242498 584288159 /nfs/dbraw/zinc/28/81/59/584288159.db2.gz SKOCUYMOOACFBR-UHFFFAOYSA-N 1 0 241.335 0.122 20 30 BCEDRO C[C@H]([NH3+])CN(C)S(=O)(=O)c1ccc(C#N)o1 ZINC000858639726 588972169 /nfs/dbraw/zinc/97/21/69/588972169.db2.gz GMVCQQPUOAIXGD-ZETCQYMHSA-N 1 0 243.288 0.119 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C(=O)OCC ZINC000900333168 584294412 /nfs/dbraw/zinc/29/44/12/584294412.db2.gz HAXCQBCCXJFUFE-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO CCN(CCC#N)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900325371 584294992 /nfs/dbraw/zinc/29/49/92/584294992.db2.gz BYFPYYJXMIVXQE-ZYHUDNBSSA-N 1 0 239.319 0.204 20 30 BCEDRO CCN(CC#N)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900361275 584295834 /nfs/dbraw/zinc/29/58/34/584295834.db2.gz FXZSAMVWXKOPFN-GFCCVEGCSA-N 1 0 239.319 0.205 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCn1cccn1 ZINC000900361417 584295963 /nfs/dbraw/zinc/29/59/63/584295963.db2.gz KTZQGQCCBATMBX-UHFFFAOYSA-N 1 0 236.319 0.507 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CC#N ZINC000900434297 584310026 /nfs/dbraw/zinc/31/00/26/584310026.db2.gz ZKNXNRITFUFQLV-SNVBAGLBSA-N 1 0 209.293 0.913 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccnn1C ZINC000900468716 584314412 /nfs/dbraw/zinc/31/44/12/584314412.db2.gz MZCNYSXKSABAHO-UHFFFAOYSA-N 1 0 222.292 0.867 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](C)C(=O)OC ZINC000900500160 584319245 /nfs/dbraw/zinc/31/92/45/584319245.db2.gz FALYFCKDPLLWGA-JTQLQIEISA-N 1 0 242.319 0.420 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H](O)/C=C\C)CC1 ZINC000900598520 584329999 /nfs/dbraw/zinc/32/99/99/584329999.db2.gz HQEALLQZMXLXDN-KTLBGCOUSA-N 1 0 238.331 0.690 20 30 BCEDRO C/C=C/[C@H](O)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000900607546 584330679 /nfs/dbraw/zinc/33/06/79/584330679.db2.gz DPOYGQAOZROTPL-FSIBCCDJSA-N 1 0 237.303 0.028 20 30 BCEDRO C=C1CCN(C(=O)[C@@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900585564 584331591 /nfs/dbraw/zinc/33/15/91/584331591.db2.gz UIPGJJMHIRLZFA-WCQYABFASA-N 1 0 238.331 0.620 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CC)CC(=O)NC ZINC000900687096 584341405 /nfs/dbraw/zinc/34/14/05/584341405.db2.gz PPJTWXZUNVQGEY-UHFFFAOYSA-N 1 0 241.335 0.089 20 30 BCEDRO CC[C@@H](C(=O)NC1(C#N)CCOCC1)[NH+](C)C ZINC000900726239 584345538 /nfs/dbraw/zinc/34/55/38/584345538.db2.gz JWKPYHPHMOHDIJ-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCCOC(=O)NCC[NH+]1CCCC1 ZINC000858884293 588981811 /nfs/dbraw/zinc/98/18/11/588981811.db2.gz MBPLWRPGBOHSHY-UHFFFAOYSA-N 1 0 210.277 0.832 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccc(=O)[nH]c1 ZINC000900748382 584348562 /nfs/dbraw/zinc/34/85/62/584348562.db2.gz OAPFZYLICQFLFN-UHFFFAOYSA-N 1 0 249.314 0.911 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](COC)C1 ZINC000900789938 584351932 /nfs/dbraw/zinc/35/19/32/584351932.db2.gz MVDWLQQDHJSTHR-LBPRGKRZSA-N 1 0 240.347 0.989 20 30 BCEDRO C#CCN(CC#CC)C(=O)C[N@H+](C)C1CCC1 ZINC000900856861 584357744 /nfs/dbraw/zinc/35/77/44/584357744.db2.gz RTYNOKQKJLMLSV-UHFFFAOYSA-N 1 0 232.327 0.956 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CC[S@@](C)=O ZINC000900885132 584361259 /nfs/dbraw/zinc/36/12/59/584361259.db2.gz VFKIBORKBWTVRW-QLJPJBMISA-N 1 0 246.376 0.378 20 30 BCEDRO C#CCCCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000901034325 584376191 /nfs/dbraw/zinc/37/61/91/584376191.db2.gz JNGHGBIWRITOPX-AAEUAGOBSA-N 1 0 238.331 0.361 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)C1CC1 ZINC000901045481 584376749 /nfs/dbraw/zinc/37/67/49/584376749.db2.gz PRPYCVWDUYTLHD-LLVKDONJSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CC[C@@H](COC)Nc1cc[nH+]cc1C(N)=O ZINC000858860490 588979667 /nfs/dbraw/zinc/97/96/67/588979667.db2.gz NPAVYTVLBAJOLB-VIFPVBQESA-N 1 0 233.271 0.053 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1cccc2c1OCC2 ZINC000901252141 584409796 /nfs/dbraw/zinc/40/97/96/584409796.db2.gz AJFUVXDEUOHLOA-UHFFFAOYSA-N 1 0 230.271 0.504 20 30 BCEDRO Cc1cc(F)ncc1C=NNC1=[NH+]CCN1 ZINC000901252491 584410331 /nfs/dbraw/zinc/41/03/31/584410331.db2.gz HLSGOVFYDJHRLX-UHFFFAOYSA-N 1 0 221.239 0.412 20 30 BCEDRO CC#CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000901254926 584415634 /nfs/dbraw/zinc/41/56/34/584415634.db2.gz BKRFLZUEMCBXJU-UHFFFAOYSA-N 1 0 234.303 0.198 20 30 BCEDRO CC(=NNCCCn1ccnc1)c1c[nH]c(N)[nH+]1 ZINC000901261968 584417203 /nfs/dbraw/zinc/41/72/03/584417203.db2.gz RRRXJJJGMQUENF-UHFFFAOYSA-N 1 0 247.306 0.592 20 30 BCEDRO C#CCSCC(=O)N(C)CCC[NH+](C)C ZINC000901327667 584423936 /nfs/dbraw/zinc/42/39/36/584423936.db2.gz TWLUKBNUCRGPSU-UHFFFAOYSA-N 1 0 228.361 0.763 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC000901323359 584430561 /nfs/dbraw/zinc/43/05/61/584430561.db2.gz ROJXYLKPAXOXMG-NSHDSACASA-N 1 0 238.331 0.383 20 30 BCEDRO C#CCCOC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000858915797 588984903 /nfs/dbraw/zinc/98/49/03/588984903.db2.gz ITIRSXCQPFZRCS-SNVBAGLBSA-N 1 0 210.277 0.830 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cn(CC)cn1 ZINC000902483898 584624991 /nfs/dbraw/zinc/62/49/91/584624991.db2.gz SOAOLMOCZXYIJE-SNVBAGLBSA-N 1 0 209.293 0.930 20 30 BCEDRO C#CCN(Cn1cnnc1)C1CC[NH+](C)CC1 ZINC000902537650 584628308 /nfs/dbraw/zinc/62/83/08/584628308.db2.gz COQCSUQDYIMLPT-UHFFFAOYSA-N 1 0 233.319 0.265 20 30 BCEDRO C#CCN(CN1CCCC1=O)C1CC[NH+](C)CC1 ZINC000902541282 584628860 /nfs/dbraw/zinc/62/88/60/584628860.db2.gz YCAWSVRLUWNODN-UHFFFAOYSA-N 1 0 249.358 0.596 20 30 BCEDRO C[C@@H]([NH2+]CCCO)c1cc(C#N)ccn1 ZINC000902719975 584659397 /nfs/dbraw/zinc/65/93/97/584659397.db2.gz BBMBZZCXOTYSNO-SECBINFHSA-N 1 0 205.261 0.986 20 30 BCEDRO C[C@H]([NH2+]CCOCCO)c1cc(C#N)ccn1 ZINC000902725701 584661029 /nfs/dbraw/zinc/66/10/29/584661029.db2.gz FAVNSJIONMYYAL-JTQLQIEISA-N 1 0 235.287 0.613 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902848783 584681840 /nfs/dbraw/zinc/68/18/40/584681840.db2.gz XSWVOORBUIVHLZ-BDAKNGLRSA-N 1 0 232.287 0.868 20 30 BCEDRO C[C@@H]([NH2+]C[C@]1(O)CCOC1)c1cc(C#N)ccn1 ZINC000902887275 584688820 /nfs/dbraw/zinc/68/88/20/584688820.db2.gz GONHVZWGHPGJBM-ZWNOBZJWSA-N 1 0 247.298 0.755 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)c2cc(C#N)cn2C)CC[N@@H+]1C ZINC000902927098 584697838 /nfs/dbraw/zinc/69/78/38/584697838.db2.gz FOQFZTHWATXHQO-MWLCHTKSSA-N 1 0 246.314 0.719 20 30 BCEDRO N#CCCC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903147850 584732059 /nfs/dbraw/zinc/73/20/59/584732059.db2.gz ODDXLJFGGDPICV-WDEREUQCSA-N 1 0 210.277 0.828 20 30 BCEDRO COCC[N@H+](CCO[C@@H](C)C#N)[C@H]1CCOC1 ZINC000801952457 584730623 /nfs/dbraw/zinc/73/06/23/584730623.db2.gz XUPTTYXFDODMMV-RYUDHWBXSA-N 1 0 242.319 0.652 20 30 BCEDRO N#CCCC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903147849 584732129 /nfs/dbraw/zinc/73/21/29/584732129.db2.gz ODDXLJFGGDPICV-QWRGUYRKSA-N 1 0 210.277 0.828 20 30 BCEDRO N#CCCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903147848 584732164 /nfs/dbraw/zinc/73/21/64/584732164.db2.gz ODDXLJFGGDPICV-MNOVXSKESA-N 1 0 210.277 0.828 20 30 BCEDRO C[NH2+]C[C@](C)(O)CN1CCC[C@@H](C#N)C1 ZINC000903563523 584782007 /nfs/dbraw/zinc/78/20/07/584782007.db2.gz GKHSOFMJCUKPGP-QWRGUYRKSA-N 1 0 211.309 0.192 20 30 BCEDRO CC(C)([NH3+])c1noc(CN2CCC[C@@H](C#N)C2)n1 ZINC000903563559 584782080 /nfs/dbraw/zinc/78/20/80/584782080.db2.gz HVVQIFDGFNQQLH-VIFPVBQESA-N 1 0 249.318 0.999 20 30 BCEDRO N#C[C@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000903564253 584782299 /nfs/dbraw/zinc/78/22/99/584782299.db2.gz SBKDZTJSEUXXPF-MNOVXSKESA-N 1 0 209.293 0.210 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1C[C@@H]2CC[C@H]1[NH2+]2 ZINC000903560478 584782376 /nfs/dbraw/zinc/78/23/76/584782376.db2.gz GETAGQUADCMPFA-IVZWLZJFSA-N 1 0 230.333 0.375 20 30 BCEDRO N#C[C@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000903564261 584782446 /nfs/dbraw/zinc/78/24/46/584782446.db2.gz SDPVCFRKZLUXDR-VWYCJHECSA-N 1 0 211.284 0.922 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903588843 584783454 /nfs/dbraw/zinc/78/34/54/584783454.db2.gz KZFFRUUDMSFPJW-GHMZBOCLSA-N 1 0 244.360 0.706 20 30 BCEDRO C=CCN1CC[C@@H](N(CC[NH2+]C)C(C)C)C1=O ZINC000903573979 584783701 /nfs/dbraw/zinc/78/37/01/584783701.db2.gz PAQVPTHPWYGFAU-GFCCVEGCSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000903795657 584800561 /nfs/dbraw/zinc/80/05/61/584800561.db2.gz OGCQCMNJBJZIHY-DGCLKSJQSA-N 1 0 237.347 0.492 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903856860 584810337 /nfs/dbraw/zinc/81/03/37/584810337.db2.gz STQOCZFFPFZIES-JQWIXIFHSA-N 1 0 223.320 0.102 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@]12CC[NH2+]C2 ZINC000903863513 584813461 /nfs/dbraw/zinc/81/34/61/584813461.db2.gz NBOVKZAALDYWRZ-GFCCVEGCSA-N 1 0 223.320 0.117 20 30 BCEDRO COC[C@H]1C[NH2+]CCN1Cc1ccncc1C#N ZINC000903879958 584817483 /nfs/dbraw/zinc/81/74/83/584817483.db2.gz BRGLEWRDIMPQBO-CYBMUJFWSA-N 1 0 246.314 0.373 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000829706093 584907726 /nfs/dbraw/zinc/90/77/26/584907726.db2.gz YRSARFISLZVBPX-VWYCJHECSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CCC[C@@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653826826 584911514 /nfs/dbraw/zinc/91/15/14/584911514.db2.gz LPYZYANFEPCICY-YNEHKIRRSA-N 1 0 240.347 0.064 20 30 BCEDRO COCCC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834479608 584913727 /nfs/dbraw/zinc/91/37/27/584913727.db2.gz GSOILLKMHIBAAS-UWVGGRQHSA-N 1 0 237.303 0.031 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@@H]1CCOC1 ZINC000834479742 584913780 /nfs/dbraw/zinc/91/37/80/584913780.db2.gz IACCWMVESMYHHY-GMTAPVOTSA-N 1 0 237.303 0.031 20 30 BCEDRO CC[C@@H]1CC[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)O1 ZINC000834480046 584913789 /nfs/dbraw/zinc/91/37/89/584913789.db2.gz KMXKGHAGDCVRTO-ZRUFSTJUSA-N 1 0 237.303 0.172 20 30 BCEDRO C#C[C@H](CC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000754358026 584917791 /nfs/dbraw/zinc/91/77/91/584917791.db2.gz SMQISTUEDOABFN-MNOVXSKESA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCNC(=O)C[N@H+](CCCC)CCOC ZINC000731667158 584928021 /nfs/dbraw/zinc/92/80/21/584928021.db2.gz MZIPTJSWIKKETD-UHFFFAOYSA-N 1 0 226.320 0.484 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)Nc1c[nH]ccc1=O ZINC000732069813 584933409 /nfs/dbraw/zinc/93/34/09/584933409.db2.gz UJBQAIJKKPHBPM-NSHDSACASA-N 1 0 245.282 0.411 20 30 BCEDRO C=CC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000732205947 584934549 /nfs/dbraw/zinc/93/45/49/584934549.db2.gz KKHLHUMNOBDQJA-UHFFFAOYSA-N 1 0 221.304 0.914 20 30 BCEDRO CCCCC[N@H+](CCO)CC(=O)NCCC#N ZINC000732871022 584941596 /nfs/dbraw/zinc/94/15/96/584941596.db2.gz BBDYIOWKQRSEMT-UHFFFAOYSA-N 1 0 241.335 0.501 20 30 BCEDRO CCc1cccc2c1NC(=O)C2=NNC(N)=[NH2+] ZINC000733077527 584942802 /nfs/dbraw/zinc/94/28/02/584942802.db2.gz BEQZHBMSJXFDKB-UHFFFAOYSA-N 1 0 231.259 0.388 20 30 BCEDRO C#CCCC[NH+]1CCN(C[C@@H](C)O)CC1 ZINC000766894221 584944424 /nfs/dbraw/zinc/94/44/24/584944424.db2.gz AALLIXNIKNRAFO-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)NCCC#N)CCS1 ZINC000755199745 584946671 /nfs/dbraw/zinc/94/66/71/584946671.db2.gz OQLZQRLKIFFGAQ-JTQLQIEISA-N 1 0 241.360 0.844 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000733345978 584947079 /nfs/dbraw/zinc/94/70/79/584947079.db2.gz AJKBEPYDSIZMIF-NEPJUHHUSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCNC(=O)C[N@@H+](CCC(=O)OC)C(C)C ZINC000733614096 584951328 /nfs/dbraw/zinc/95/13/28/584951328.db2.gz XUKDOBBELHGXPB-UHFFFAOYSA-N 1 0 240.303 0.009 20 30 BCEDRO C#CCCNC(=O)NCCC[NH+]1CCCC1 ZINC000733641331 584951447 /nfs/dbraw/zinc/95/14/47/584951447.db2.gz SWFYAIZQGVZAMH-UHFFFAOYSA-N 1 0 223.320 0.795 20 30 BCEDRO N#CCCN1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000734149483 584957528 /nfs/dbraw/zinc/95/75/28/584957528.db2.gz ANLKVLPVJHBJQC-GFCCVEGCSA-N 1 0 223.320 0.289 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)C2=COCC2)CC1 ZINC000734127198 584958564 /nfs/dbraw/zinc/95/85/64/584958564.db2.gz OWECRFCNWOBASC-UHFFFAOYSA-N 1 0 235.287 0.395 20 30 BCEDRO CC1(C)C[N@H+](CC(=O)NCCC#N)CCCO1 ZINC000735311868 584975498 /nfs/dbraw/zinc/97/54/98/584975498.db2.gz XWMNZTKPSLKSBC-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO C#Cc1cncc(C(=O)NC[C@H](C)C[NH+](C)C)c1 ZINC000816832416 584981654 /nfs/dbraw/zinc/98/16/54/584981654.db2.gz AAUUJJFRYDVHPN-NSHDSACASA-N 1 0 245.326 0.990 20 30 BCEDRO C#CCN(C(=O)NC[C@@H]1CC[N@H+]1CC)C1CC1 ZINC000890060636 585016475 /nfs/dbraw/zinc/01/64/75/585016475.db2.gz VOHCBKNZJYCQBQ-LBPRGKRZSA-N 1 0 235.331 0.888 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCO[C@H]1CC ZINC000838299498 585051950 /nfs/dbraw/zinc/05/19/50/585051950.db2.gz QCNLLJRTFOUHFK-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCONC(=O)N(C)CC[NH+](C)C ZINC000838706412 585065294 /nfs/dbraw/zinc/06/52/94/585065294.db2.gz OPZKLOYLPDPKFG-UHFFFAOYSA-N 1 0 201.270 0.307 20 30 BCEDRO C=CCONC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000838706960 585065466 /nfs/dbraw/zinc/06/54/66/585065466.db2.gz XEQMMZQCPCEYBX-JTQLQIEISA-N 1 0 243.307 0.124 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000838706961 585065490 /nfs/dbraw/zinc/06/54/90/585065490.db2.gz XEQMMZQCPCEYBX-SNVBAGLBSA-N 1 0 243.307 0.124 20 30 BCEDRO CC#CC(=O)N1CC[NH+](C2CCOCC2)CC1 ZINC000788305153 585068233 /nfs/dbraw/zinc/06/82/33/585068233.db2.gz LYGWOEQJNYEZKR-UHFFFAOYSA-N 1 0 236.315 0.333 20 30 BCEDRO C=CC[N@@H+](CCN1C(=O)N[C@H](C)C1=O)C(C)C ZINC000838794146 585068834 /nfs/dbraw/zinc/06/88/34/585068834.db2.gz USGKNSSGBXZAEI-SNVBAGLBSA-N 1 0 239.319 0.823 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1cncn1C)[C@@H]1CCCO1 ZINC000838936765 585081659 /nfs/dbraw/zinc/08/16/59/585081659.db2.gz OBQXLFSTAIAZRY-OLZOCXBDSA-N 1 0 233.315 0.733 20 30 BCEDRO C#Cc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000839166996 585095462 /nfs/dbraw/zinc/09/54/62/585095462.db2.gz VFQGCKCQJCPWAQ-KGLIPLIRSA-N 1 0 231.295 0.453 20 30 BCEDRO C#CCN(CC#C)CC[C@H](C)[NH+](CC#C)CC#C ZINC000839500103 585105740 /nfs/dbraw/zinc/10/57/40/585105740.db2.gz ASXIGGWTTHNHOZ-INIZCTEOSA-N 1 0 240.350 0.902 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cnc(C)n2C)C1 ZINC000886209623 585112842 /nfs/dbraw/zinc/11/28/42/585112842.db2.gz QBGDTKODFKYDSQ-CYBMUJFWSA-N 1 0 246.358 0.916 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cn(C)cn2)C1 ZINC000886211198 585112860 /nfs/dbraw/zinc/11/28/60/585112860.db2.gz KWWVMEIWFDRDTL-LBPRGKRZSA-N 1 0 232.331 0.607 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2c(C)cnn2C)C1 ZINC000886210976 585113014 /nfs/dbraw/zinc/11/30/14/585113014.db2.gz GOPMLEBOOBJTNL-ZDUSSCGKSA-N 1 0 246.358 0.916 20 30 BCEDRO C#CCNC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741791517 585118991 /nfs/dbraw/zinc/11/89/91/585118991.db2.gz WGVHGYBFBOBOFN-RYUDHWBXSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCNC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000741791515 585119111 /nfs/dbraw/zinc/11/91/11/585119111.db2.gz WGVHGYBFBOBOFN-NWDGAFQWSA-N 1 0 237.347 0.150 20 30 BCEDRO CCC(=NNC1=[NH+]C[C@H](C)N1)c1cn[nH]c1 ZINC000789037161 585121936 /nfs/dbraw/zinc/12/19/36/585121936.db2.gz NAHWMCGEIARXNK-ZETCQYMHSA-N 1 0 220.280 0.461 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000886365190 585134760 /nfs/dbraw/zinc/13/47/60/585134760.db2.gz BTPZVANDSKOYMV-OLZOCXBDSA-N 1 0 237.343 0.998 20 30 BCEDRO CC1(C)C(N=NC(N)=[NH2+])[C@H]2CCCO[C@H]21 ZINC000743417213 585136570 /nfs/dbraw/zinc/13/65/70/585136570.db2.gz GFQDFSFGYDIAGD-HTRCEHHLSA-N 1 0 210.281 0.660 20 30 BCEDRO NC(=[NH2+])NN=Cc1c[nH]c2ccc([N+](=O)[O-])cc12 ZINC000747750689 585183330 /nfs/dbraw/zinc/18/33/30/585183330.db2.gz DAUDLMIHBWNAJJ-UHFFFAOYSA-N 1 0 246.230 0.893 20 30 BCEDRO CCOC(=O)c1ccc(C=NNC(N)=[NH2+])o1 ZINC000748246143 585189788 /nfs/dbraw/zinc/18/97/88/585189788.db2.gz JZHYQXDVOWOCOV-UHFFFAOYSA-N 1 0 224.220 0.273 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCc1[nH]cnc1C ZINC000748406713 585192549 /nfs/dbraw/zinc/19/25/49/585192549.db2.gz VBDSYJSSBYLIOZ-LBPRGKRZSA-N 1 0 246.314 0.432 20 30 BCEDRO C#CCCN1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000748569423 585194277 /nfs/dbraw/zinc/19/42/77/585194277.db2.gz BLQQOWSOOGHFRX-CYBMUJFWSA-N 1 0 249.358 0.248 20 30 BCEDRO C[N@H+](CCC1CC1)CC(=O)NCCC#N ZINC000749532048 585203881 /nfs/dbraw/zinc/20/38/81/585203881.db2.gz UCSBEDIKBHILPH-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO CNC(NCCCNc1ncccn1)=[NH+]C ZINC000750543423 585217184 /nfs/dbraw/zinc/21/71/84/585217184.db2.gz XOPYXFGDHSORLP-UHFFFAOYSA-N 1 0 222.296 0.073 20 30 BCEDRO COC[C@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000752087000 585242163 /nfs/dbraw/zinc/24/21/63/585242163.db2.gz BTOKSVHZNQLVIX-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC2(CC1)OCCO2 ZINC000752857458 585250728 /nfs/dbraw/zinc/25/07/28/585250728.db2.gz VKJOSFAIZNPHFD-NSHDSACASA-N 1 0 227.304 0.762 20 30 BCEDRO C#CCOCCNC(=O)C[NH+](CC)CC ZINC000753229353 585255627 /nfs/dbraw/zinc/25/56/27/585255627.db2.gz BGLTYGAOJULGIP-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=NC1=N[C@@H]2CCCC[C@H]2N1 ZINC000753927123 585272148 /nfs/dbraw/zinc/27/21/48/585272148.db2.gz AKXLWPUIOJSXFV-GMTAPVOTSA-N 1 0 249.362 0.784 20 30 BCEDRO Cn1nccc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753930630 585272235 /nfs/dbraw/zinc/27/22/35/585272235.db2.gz VXNCSQLNVRJKKY-PHIMTYICSA-N 1 0 246.318 0.614 20 30 BCEDRO Cn1nncc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753935024 585272357 /nfs/dbraw/zinc/27/23/57/585272357.db2.gz MDYCGLUMYLDRKM-AOOOYVTPSA-N 1 0 247.306 0.009 20 30 BCEDRO C#CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000753957368 585273285 /nfs/dbraw/zinc/27/32/85/585273285.db2.gz QIAADCMIJVTYFX-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC(=O)N1CC[C@@H](C[NH+]2CCCCC2)C1 ZINC000754057570 585276693 /nfs/dbraw/zinc/27/66/93/585276693.db2.gz BPLOHMPFGVUUAD-LBPRGKRZSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+](C[C@@H]2C[C@@H]2C)CC1 ZINC000754105793 585278676 /nfs/dbraw/zinc/27/86/76/585278676.db2.gz PIYBSCVTSHXNBC-STQMWFEESA-N 1 0 249.358 0.009 20 30 BCEDRO CNC(=S)NN=C1C[N@@H+](C(C)C)C[C@H]1C ZINC000754253861 585281376 /nfs/dbraw/zinc/28/13/76/585281376.db2.gz HXTVWOJHYHWLLG-MRVPVSSYSA-N 1 0 228.365 0.796 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000754388053 585283728 /nfs/dbraw/zinc/28/37/28/585283728.db2.gz SJRRHJMVIZBUAL-VXGBXAGGSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000754388047 585283979 /nfs/dbraw/zinc/28/39/79/585283979.db2.gz SJRRHJMVIZBUAL-NEPJUHHUSA-N 1 0 237.347 0.150 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CC(=O)OC)C1CC1 ZINC000754518638 585285511 /nfs/dbraw/zinc/28/55/11/585285511.db2.gz MVMVQEKEHAKRAA-SNVBAGLBSA-N 1 0 240.303 0.220 20 30 BCEDRO COc1cc(C)nc(N=NCc2c[nH]cn2)n1 ZINC000755753299 585305594 /nfs/dbraw/zinc/30/55/94/585305594.db2.gz OCUUAEPQZNWFIJ-UHFFFAOYSA-N 1 0 232.247 0.963 20 30 BCEDRO C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cc[nH]n1 ZINC000755816041 585307929 /nfs/dbraw/zinc/30/79/29/585307929.db2.gz XFVUGZJZTSCFMC-UWVGGRQHSA-N 1 0 232.291 0.604 20 30 BCEDRO C#CCOCCC(=O)N(C)CCCC[NH+](C)C ZINC000755911677 585310331 /nfs/dbraw/zinc/31/03/31/585310331.db2.gz BSDLFHJTONKRPB-UHFFFAOYSA-N 1 0 240.347 0.827 20 30 BCEDRO C#CCOCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000755929547 585310927 /nfs/dbraw/zinc/31/09/27/585310927.db2.gz FZIYSLZUZZFIBZ-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO CC[C@@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000755994489 585312104 /nfs/dbraw/zinc/31/21/04/585312104.db2.gz HPFASKUEXRRGEJ-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C#CC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000756089744 585314038 /nfs/dbraw/zinc/31/40/38/585314038.db2.gz PXUZPBXTZFUGQP-GFCCVEGCSA-N 1 0 220.316 0.810 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000756902972 585324919 /nfs/dbraw/zinc/32/49/19/585324919.db2.gz XQZDWPRTGSVXTD-NWDGAFQWSA-N 1 0 236.315 0.237 20 30 BCEDRO CON=CC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000839634854 585333199 /nfs/dbraw/zinc/33/31/99/585333199.db2.gz XORQEJIREDHLQZ-VIFPVBQESA-N 1 0 213.281 0.171 20 30 BCEDRO C#CCCNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000757749358 585345189 /nfs/dbraw/zinc/34/51/89/585345189.db2.gz AMHVAQHXDIJFFU-JQWIXIFHSA-N 1 0 235.331 0.792 20 30 BCEDRO C[N@@H+]1CCCC(=NNCCS(C)(=O)=O)CC1 ZINC000758110815 585349232 /nfs/dbraw/zinc/34/92/32/585349232.db2.gz QHSXNJVBJWGEAU-UHFFFAOYSA-N 1 0 247.364 0.092 20 30 BCEDRO C#CCNC(=S)NCC[NH+]1CCCCCC1 ZINC000758188425 585351378 /nfs/dbraw/zinc/35/13/78/585351378.db2.gz HCQSLYLATGICNA-UHFFFAOYSA-N 1 0 239.388 0.960 20 30 BCEDRO C#CCNC(=S)N1CC[NH+](C(C)C)CC1 ZINC000758194149 585351651 /nfs/dbraw/zinc/35/16/51/585351651.db2.gz KCOSIROERYCQEO-UHFFFAOYSA-N 1 0 225.361 0.520 20 30 BCEDRO C#CCNC(=S)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000758193895 585351702 /nfs/dbraw/zinc/35/17/02/585351702.db2.gz RSYMGSGTWPJHGH-QWRGUYRKSA-N 1 0 237.372 0.711 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000758193885 585351721 /nfs/dbraw/zinc/35/17/21/585351721.db2.gz RSYMGSGTWPJHGH-GHMZBOCLSA-N 1 0 237.372 0.711 20 30 BCEDRO C#CCNC(=S)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000758209953 585351826 /nfs/dbraw/zinc/35/18/26/585351826.db2.gz NVIWFZYORGGCRC-NSHDSACASA-N 1 0 239.388 0.816 20 30 BCEDRO C#CCNC(=S)N(C)CC1CC[NH+](C)CC1 ZINC000758227910 585352299 /nfs/dbraw/zinc/35/22/99/585352299.db2.gz FMGUHMXKVZYIER-UHFFFAOYSA-N 1 0 239.388 0.768 20 30 BCEDRO CCN(CC)c1ccc(C=[NH+]NCC(N)=O)cc1 ZINC000758892985 585361442 /nfs/dbraw/zinc/36/14/42/585361442.db2.gz QOUGLQCPBPPKIK-UHFFFAOYSA-N 1 0 248.330 0.942 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000759722479 585379465 /nfs/dbraw/zinc/37/94/65/585379465.db2.gz MFSDOBFGJFSTHB-NSHDSACASA-N 1 0 244.294 0.198 20 30 BCEDRO C#CC[N@H+](CC)CCCCS(C)(=O)=O ZINC000759716601 585379476 /nfs/dbraw/zinc/37/94/76/585379476.db2.gz AMYAUFRDHRNLDJ-UHFFFAOYSA-N 1 0 217.334 0.766 20 30 BCEDRO C#CCNC(=O)C[NH2+]C(C)(C)c1ccc(C)nc1 ZINC000759910357 585382647 /nfs/dbraw/zinc/38/26/47/585382647.db2.gz GRJMFMSGZVQTDN-UHFFFAOYSA-N 1 0 245.326 0.964 20 30 BCEDRO C#CCCCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000760314603 585389944 /nfs/dbraw/zinc/38/99/44/585389944.db2.gz QOELUNNMVSFCSH-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCC[NH+]1CCN(C[C@H]2COCCO2)CC1 ZINC000760840470 585398588 /nfs/dbraw/zinc/39/85/88/585398588.db2.gz LCLPFBVBOGAPOQ-ZDUSSCGKSA-N 1 0 238.331 0.043 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000760842383 585399065 /nfs/dbraw/zinc/39/90/65/585399065.db2.gz HMKNMXOHTCWABG-SNVBAGLBSA-N 1 0 230.333 0.010 20 30 BCEDRO C#CCCN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000760848278 585399727 /nfs/dbraw/zinc/39/97/27/585399727.db2.gz WAWTYYMWXNPESB-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761074540 585405262 /nfs/dbraw/zinc/40/52/62/585405262.db2.gz XGBJGWNFDQQURN-QWRGUYRKSA-N 1 0 225.336 0.313 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H](C)C(=O)NC(C)(C)C ZINC000761109212 585410390 /nfs/dbraw/zinc/41/03/90/585410390.db2.gz OMQDLBBDDAKMLP-NSHDSACASA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H](CC)CC#N ZINC000762723760 585436420 /nfs/dbraw/zinc/43/64/20/585436420.db2.gz ZODZLATWBWENPJ-RYUDHWBXSA-N 1 0 233.315 0.892 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)[C@H]1CCCO1 ZINC000763780906 585454199 /nfs/dbraw/zinc/45/41/99/585454199.db2.gz OFKLTURGDNJEKW-SDDRHHMPSA-N 1 0 249.310 0.853 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCc1ccccn1 ZINC000763899564 585456472 /nfs/dbraw/zinc/45/64/72/585456472.db2.gz GCZPSCTUGGLKHD-UHFFFAOYSA-N 1 0 233.315 0.858 20 30 BCEDRO C#CC[N@@H+](CC[C@H]1CCS(=O)(=O)C1)C1CC1 ZINC000763951253 585457583 /nfs/dbraw/zinc/45/75/83/585457583.db2.gz SNOSTFJAJSYQEQ-NSHDSACASA-N 1 0 241.356 0.909 20 30 BCEDRO CC#CC(=O)NCCC[N@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000764058110 585459206 /nfs/dbraw/zinc/45/92/06/585459206.db2.gz PYTLOYIGCJKWIL-TXEJJXNPSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1C(=O)OC ZINC000764153018 585460990 /nfs/dbraw/zinc/46/09/90/585460990.db2.gz SIWLSYNYWYQIPN-SNVBAGLBSA-N 1 0 240.303 0.268 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)C[C@@H]1CCOC1 ZINC000764198423 585461125 /nfs/dbraw/zinc/46/11/25/585461125.db2.gz YETZFFNOUJXSOZ-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C)OC[C@H]1C ZINC000764190691 585461284 /nfs/dbraw/zinc/46/12/84/585461284.db2.gz ZXZBOBSCGHJYAK-MNOVXSKESA-N 1 0 226.320 0.740 20 30 BCEDRO C#CCCCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000764409327 585465205 /nfs/dbraw/zinc/46/52/05/585465205.db2.gz UOPXAJZMSCIVOI-NSHDSACASA-N 1 0 240.372 0.953 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCc1nc(C)no1 ZINC000764459921 585465895 /nfs/dbraw/zinc/46/58/95/585465895.db2.gz CMXBDLLWGVGKNA-UHFFFAOYSA-N 1 0 238.291 0.155 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCc1nccs1 ZINC000764462701 585466066 /nfs/dbraw/zinc/46/60/66/585466066.db2.gz TVHUOFRSNJHRDQ-UHFFFAOYSA-N 1 0 239.344 0.920 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000764482894 585466480 /nfs/dbraw/zinc/46/64/80/585466480.db2.gz COTCJHJMINTFSN-LLVKDONJSA-N 1 0 221.304 0.748 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCC[C@H]1O ZINC000764561128 585467814 /nfs/dbraw/zinc/46/78/14/585467814.db2.gz ARYQDDRESOUWOO-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCC[C@@H]1O ZINC000764561127 585467985 /nfs/dbraw/zinc/46/79/85/585467985.db2.gz ARYQDDRESOUWOO-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(C)(C)C(=O)OC ZINC000764612691 585469010 /nfs/dbraw/zinc/46/90/10/585469010.db2.gz XMKVMULRGWPHML-UHFFFAOYSA-N 1 0 242.319 0.420 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C(C)(C)O ZINC000764629423 585469334 /nfs/dbraw/zinc/46/93/34/585469334.db2.gz AUDZUIPEGIKXMF-NSHDSACASA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000764633944 585469663 /nfs/dbraw/zinc/46/96/63/585469663.db2.gz VUXZPZDWIBZGKP-WDEREUQCSA-N 1 0 224.304 0.157 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1nc[nH]n1 ZINC000764651893 585470056 /nfs/dbraw/zinc/47/00/56/585470056.db2.gz XNKJRZFOWZATKU-QMMMGPOBSA-N 1 0 223.280 0.100 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@](C)(CC)CCO ZINC000764668168 585470429 /nfs/dbraw/zinc/47/04/29/585470429.db2.gz VRMQQHJPQVDOTA-LBPRGKRZSA-N 1 0 228.336 0.772 20 30 BCEDRO C[C@H]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)=NO1 ZINC000765384103 585484866 /nfs/dbraw/zinc/48/48/66/585484866.db2.gz LHCSJVLYFYGFDG-YUMQZZPRSA-N 1 0 211.265 0.177 20 30 BCEDRO C#CCCC[NH+]1CCN(CC(=O)NCC)CC1 ZINC000766896430 585509848 /nfs/dbraw/zinc/50/98/48/585509848.db2.gz OLWXSIQRDOQSRA-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H](OCCO)C1 ZINC000766906088 585511355 /nfs/dbraw/zinc/51/13/55/585511355.db2.gz NMKHPLNADPYPDP-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCCC[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000766939397 585512208 /nfs/dbraw/zinc/51/22/08/585512208.db2.gz XALFBSBDKAHPDQ-UHFFFAOYSA-N 1 0 230.333 0.153 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NCCC#N)C[C@@H]1C ZINC000766984478 585512424 /nfs/dbraw/zinc/51/24/24/585512424.db2.gz KUGCMXSHPCGMPI-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@H]1C[N@@H+](CC(=O)NCCC#N)CC[C@@H]1C ZINC000766984480 585512666 /nfs/dbraw/zinc/51/26/66/585512666.db2.gz KUGCMXSHPCGMPI-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCOC[C@H]1CCO ZINC000767592170 585522466 /nfs/dbraw/zinc/52/24/66/585522466.db2.gz GHBLEFYAKFZBNB-VXGBXAGGSA-N 1 0 229.320 0.397 20 30 BCEDRO C#CCC(C)(C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000768444853 585538740 /nfs/dbraw/zinc/53/87/40/585538740.db2.gz ALSPNMIHICQFHE-CYBMUJFWSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCC2(C1)OCCO2 ZINC000770264393 585572449 /nfs/dbraw/zinc/57/24/49/585572449.db2.gz WGPUUBKTDUNHEG-LLVKDONJSA-N 1 0 227.304 0.762 20 30 BCEDRO C#CCOCCC(=O)N[C@@H](C)C[NH+](C)C ZINC000805422964 585591825 /nfs/dbraw/zinc/59/18/25/585591825.db2.gz MOTCGJNSYDJGSB-JTQLQIEISA-N 1 0 212.293 0.093 20 30 BCEDRO C#CCOCCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000771406231 585594040 /nfs/dbraw/zinc/59/40/40/585594040.db2.gz TVXMWQXAHGPFDG-RYUDHWBXSA-N 1 0 238.331 0.577 20 30 BCEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CC(=O)NCCC#N ZINC000771463836 585594209 /nfs/dbraw/zinc/59/42/09/585594209.db2.gz ZRPZJBJXUJAMEJ-WDEREUQCSA-N 1 0 238.335 0.041 20 30 BCEDRO CC[N@@H+]1CCC(=NOCC(N)=O)[C@H](C)C1 ZINC000771570894 585596788 /nfs/dbraw/zinc/59/67/88/585596788.db2.gz JLRPPXWULASYJM-MRVPVSSYSA-N 1 0 213.281 0.206 20 30 BCEDRO CC(C)[N@H+]1CC(=NOCC(N)=O)[C@@H](C)C1 ZINC000771578984 585597355 /nfs/dbraw/zinc/59/73/55/585597355.db2.gz WAVGRIMRYZNFLS-QMMMGPOBSA-N 1 0 213.281 0.204 20 30 BCEDRO C#C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000772889047 585626504 /nfs/dbraw/zinc/62/65/04/585626504.db2.gz FYOVOCHGJLZXQY-SDDRHHMPSA-N 1 0 236.315 0.378 20 30 BCEDRO CON=CC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000773806503 585644378 /nfs/dbraw/zinc/64/43/78/585644378.db2.gz AWTCWBIDWGYUMF-SNVBAGLBSA-N 1 0 227.308 0.467 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000859250102 589024047 /nfs/dbraw/zinc/02/40/47/589024047.db2.gz FRISSNRJBZYFOE-NEPJUHHUSA-N 1 0 238.331 0.792 20 30 BCEDRO CON=CC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000773928008 585646351 /nfs/dbraw/zinc/64/63/51/585646351.db2.gz GWRARNRHOUWXAB-UHFFFAOYSA-N 1 0 241.335 0.855 20 30 BCEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C=NOC)[C@@H](C)C1 ZINC000773990919 585647830 /nfs/dbraw/zinc/64/78/30/585647830.db2.gz HNXHISHRPIPSOW-QWRGUYRKSA-N 1 0 241.335 0.807 20 30 BCEDRO C[C@@H]1CC(=NN=c2cc[nH]n2C)CC[N@@H+]1C ZINC000774413536 585657866 /nfs/dbraw/zinc/65/78/66/585657866.db2.gz TWBICHVEIMUNMZ-SECBINFHSA-N 1 0 221.308 0.724 20 30 BCEDRO CON=CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000774436530 585658797 /nfs/dbraw/zinc/65/87/97/585658797.db2.gz RHAUAEMBAKGILO-LLVKDONJSA-N 1 0 239.319 0.563 20 30 BCEDRO C#C[C@@H](C)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000775384845 585677004 /nfs/dbraw/zinc/67/70/04/585677004.db2.gz QLLLWDQMFNAOEM-NXEZZACHSA-N 1 0 226.345 0.562 20 30 BCEDRO C#C[C@H](C)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000775385564 585677154 /nfs/dbraw/zinc/67/71/54/585677154.db2.gz IUNYXWJZXZASDZ-HBNTYKKESA-N 1 0 208.305 0.997 20 30 BCEDRO C#CCC[N@H+]1CCN(CCC(=O)OC)C[C@@H]1C ZINC000775561982 585679385 /nfs/dbraw/zinc/67/93/85/585679385.db2.gz ZOUPMBWGVUBJFL-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C#C[C@@H]([NH2+]CCN1CCOCC1)[C@H]1CCCO1 ZINC000775789685 585684728 /nfs/dbraw/zinc/68/47/28/585684728.db2.gz MYBXQOBIFUHKFP-CHWSQXEVSA-N 1 0 238.331 0.089 20 30 BCEDRO C#C[C@@H]([NH2+]CCn1ccnc1C)[C@H]1CCCO1 ZINC000775789919 585684770 /nfs/dbraw/zinc/68/47/70/585684770.db2.gz FEUCRPMKTKNIOZ-CHWSQXEVSA-N 1 0 233.315 0.962 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@@H]1CCCO1 ZINC000775799832 585685148 /nfs/dbraw/zinc/68/51/48/585685148.db2.gz MZYOVPIRFIEIGH-OLZOCXBDSA-N 1 0 246.310 0.656 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)COC(C)C)[C@H]1CCCO1 ZINC000775799765 585685168 /nfs/dbraw/zinc/68/51/68/585685168.db2.gz MKOPZQSXJQNHJX-FRRDWIJNSA-N 1 0 241.331 0.543 20 30 BCEDRO C#C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@@H]1CCCO1 ZINC000775799836 585685273 /nfs/dbraw/zinc/68/52/73/585685273.db2.gz MZYOVPIRFIEIGH-STQMWFEESA-N 1 0 246.310 0.656 20 30 BCEDRO C#C[C@H]([NH2+]C/C=C(/C)C(=O)OC)[C@H]1CCCO1 ZINC000775797840 585685286 /nfs/dbraw/zinc/68/52/86/585685286.db2.gz GCYKJLPHDOBDGK-DXGKCEBASA-N 1 0 237.299 0.876 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCCN(C)C1=O)[C@@H]1CCCO1 ZINC000775801201 585685629 /nfs/dbraw/zinc/68/56/29/585685629.db2.gz WRJORBDMMWAUDM-SRVKXCTJSA-N 1 0 236.315 0.378 20 30 BCEDRO C#CCOCCC(=O)NCC1=CC[N@H+](C)CC1 ZINC000775890717 585687195 /nfs/dbraw/zinc/68/71/95/585687195.db2.gz SWYLEOXJFDPPFS-UHFFFAOYSA-N 1 0 236.315 0.404 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)CC(=O)OCC)C1CC1 ZINC000859251689 589024623 /nfs/dbraw/zinc/02/46/23/589024623.db2.gz BSJYAVCIBMCOTE-NSHDSACASA-N 1 0 225.288 0.398 20 30 BCEDRO C#CCCN1CC[NH+](C[C@H](C)CO)CC1 ZINC000776594555 585702265 /nfs/dbraw/zinc/70/22/65/585702265.db2.gz MKUDMNCWZDLFHQ-LBPRGKRZSA-N 1 0 210.321 0.256 20 30 BCEDRO C#CCCN1CC[NH+]([C@@H](CO)C(=C)C)CC1 ZINC000776593226 585702314 /nfs/dbraw/zinc/70/23/14/585702314.db2.gz TVTHPYBKPVOJNL-ZDUSSCGKSA-N 1 0 222.332 0.564 20 30 BCEDRO C#CC(=O)N1C[C@@H](SC)[C@H]([NH+]2CCCC2)C1 ZINC000777319798 585710333 /nfs/dbraw/zinc/71/03/33/585710333.db2.gz RZJBZRHGVZWIAF-GHMZBOCLSA-N 1 0 238.356 0.658 20 30 BCEDRO C[C@@H]1CC(NC(=O)C2CC[NH+](C)CC2)=NO1 ZINC000777436141 585712070 /nfs/dbraw/zinc/71/20/70/585712070.db2.gz MJEASROJVMWYFM-MRVPVSSYSA-N 1 0 225.292 0.567 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000778328767 585731723 /nfs/dbraw/zinc/73/17/23/585731723.db2.gz OPMPGSMBZQFTQK-CYBMUJFWSA-N 1 0 238.331 0.220 20 30 BCEDRO COCC(=NNC1=[NH+][C@@H](C)CN1)C(C)C ZINC000779791491 585763760 /nfs/dbraw/zinc/76/37/60/585763760.db2.gz JZQZGHWXBHWBDM-QMMMGPOBSA-N 1 0 212.297 0.582 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccccn2)N1 ZINC000779792975 585764123 /nfs/dbraw/zinc/76/41/23/585764123.db2.gz QFSLXZVWDPBFSU-MRVPVSSYSA-N 1 0 203.249 0.353 20 30 BCEDRO COC(=O)c1ccc(C=NNC2=[NH+]C[C@@H](C)N2)[nH]1 ZINC000779800407 585764610 /nfs/dbraw/zinc/76/46/10/585764610.db2.gz YVWXLQDEQXNRTM-SSDOTTSWSA-N 1 0 249.274 0.073 20 30 BCEDRO Cc1nn(C)c(C)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779801256 585764677 /nfs/dbraw/zinc/76/46/77/585764677.db2.gz STOGANLBKDGRII-ZETCQYMHSA-N 1 0 234.307 0.308 20 30 BCEDRO Cc1ncccc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779801835 585764827 /nfs/dbraw/zinc/76/48/27/585764827.db2.gz YVQHBVBDSNWCJI-MRVPVSSYSA-N 1 0 217.276 0.661 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cn3ccccc3n2)N1 ZINC000779801800 585764909 /nfs/dbraw/zinc/76/49/09/585764909.db2.gz XUEPDFGXPLENGO-SECBINFHSA-N 1 0 242.286 0.606 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccco1 ZINC000779803005 585764961 /nfs/dbraw/zinc/76/49/61/585764961.db2.gz LVOCHQOGMKYYAF-ZETCQYMHSA-N 1 0 206.249 0.941 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)[C@@H]1CCCO1 ZINC000859257424 589025233 /nfs/dbraw/zinc/02/52/33/589025233.db2.gz BBBRUDSTRLQOEV-AGIUHOORSA-N 1 0 248.326 0.812 20 30 BCEDRO C1C[C@@H]2C(=NN[C@@H]3CCCOC3)CC[N@H+]2C1 ZINC000780261088 585775712 /nfs/dbraw/zinc/77/57/12/585775712.db2.gz KOBHTORFZQAHSX-ZYHUDNBSSA-N 1 0 223.320 0.979 20 30 BCEDRO C[NH+](C)CCNC(=O)[C@H](O)c1ccc(C#N)cc1 ZINC000780849107 585785258 /nfs/dbraw/zinc/78/52/58/585785258.db2.gz JHXAACLWICBJGJ-GFCCVEGCSA-N 1 0 247.298 0.269 20 30 BCEDRO C=CCCS(=O)(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000780868214 585785529 /nfs/dbraw/zinc/78/55/29/585785529.db2.gz VUHVATUKNSOVDY-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(C#N)cc1F ZINC000781123356 585790837 /nfs/dbraw/zinc/79/08/37/585790837.db2.gz AGVWRFMJTKFVEQ-UHFFFAOYSA-N 1 0 219.223 0.904 20 30 BCEDRO CC(CCCC[NH+](C)C)=NOCC(N)=O ZINC000781124246 585790861 /nfs/dbraw/zinc/79/08/61/585790861.db2.gz BGSABQYDLPJTLI-UHFFFAOYSA-N 1 0 215.297 0.596 20 30 BCEDRO C#CCCC[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000781960970 585806057 /nfs/dbraw/zinc/80/60/57/585806057.db2.gz OVKLUBZXWMXCMG-UHFFFAOYSA-N 1 0 224.348 0.788 20 30 BCEDRO C#CCCN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000782010250 585806626 /nfs/dbraw/zinc/80/66/26/585806626.db2.gz DTQRRRNZVANLIW-GFCCVEGCSA-N 1 0 224.348 0.787 20 30 BCEDRO CC[C@H](C(=O)NCc1ccc(C#N)cn1)[NH+](C)C ZINC000782028964 585807048 /nfs/dbraw/zinc/80/70/48/585807048.db2.gz MPSZKPSHJCVAEL-GFCCVEGCSA-N 1 0 246.314 0.910 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000782083263 585807678 /nfs/dbraw/zinc/80/76/78/585807678.db2.gz QMNCZUSLLDGVSP-GFCCVEGCSA-N 1 0 238.331 0.267 20 30 BCEDRO N#Cc1cc(F)c(C=NNC(N)=[NH2+])c(F)c1 ZINC000782187670 585811155 /nfs/dbraw/zinc/81/11/55/585811155.db2.gz RVMJOOYUCABKKT-UHFFFAOYSA-N 1 0 223.186 0.653 20 30 BCEDRO C#CCCN1CC[NH+](C[C@H](C)OC)CC1 ZINC000782487693 585818940 /nfs/dbraw/zinc/81/89/40/585818940.db2.gz XXSSFSONAHCHTL-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCCN1CC[NH+](C[C@@H](C)OC)CC1 ZINC000782487692 585819006 /nfs/dbraw/zinc/81/90/06/585819006.db2.gz XXSSFSONAHCHTL-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)c1cnccc1C ZINC000782999643 585826831 /nfs/dbraw/zinc/82/68/31/585826831.db2.gz QWWLIKJPWZSDNJ-NSHDSACASA-N 1 0 231.299 0.790 20 30 BCEDRO NC(=[NH2+])NN=Cc1cc(-n2ccnc2)cs1 ZINC000783824443 585844249 /nfs/dbraw/zinc/84/42/49/585844249.db2.gz SUKXROWPXYVRAH-UHFFFAOYSA-N 1 0 234.288 0.751 20 30 BCEDRO C#CCOCCNC(=O)NCC[N@@H+](C)C(C)C ZINC000784292322 585854832 /nfs/dbraw/zinc/85/48/32/585854832.db2.gz UTVGOCNMVFFUDK-UHFFFAOYSA-N 1 0 241.335 0.276 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000784457266 585860523 /nfs/dbraw/zinc/86/05/23/585860523.db2.gz KEKWIOGCCRQUBZ-SNVBAGLBSA-N 1 0 240.303 0.498 20 30 BCEDRO C[NH+](C)[C@H]1CCCC(=NNS(C)(=O)=O)C1 ZINC000788433540 585923201 /nfs/dbraw/zinc/92/32/01/585923201.db2.gz BQZQURCRXGLMFB-VIFPVBQESA-N 1 0 233.337 0.396 20 30 BCEDRO C[C@H]1CC(=NN[C@H]2CCOC2)CC[N@@H+]1C ZINC000788444911 585923915 /nfs/dbraw/zinc/92/39/15/585923915.db2.gz FQERIDLCFDHBMQ-ONGXEEELSA-N 1 0 211.309 0.835 20 30 BCEDRO C[C@H]1CC(N=N[C@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000788449218 585924334 /nfs/dbraw/zinc/92/43/34/585924334.db2.gz WZXPRMSPKFUWGW-UWVGGRQHSA-N 1 0 223.320 0.978 20 30 BCEDRO C#CC[NH+]1CCC([C@@H](O)c2ncc[nH]2)CC1 ZINC000788467371 585925013 /nfs/dbraw/zinc/92/50/13/585925013.db2.gz GLKUVDFSYMXFLJ-LLVKDONJSA-N 1 0 219.288 0.788 20 30 BCEDRO NC(=[NH2+])NN=Cc1nccn1-c1ccccc1 ZINC000790153102 585958741 /nfs/dbraw/zinc/95/87/41/585958741.db2.gz CTQCQXJKCVSCEL-UHFFFAOYSA-N 1 0 228.259 0.689 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc(C)on1 ZINC000790297722 585962387 /nfs/dbraw/zinc/96/23/87/585962387.db2.gz OMBKFUVCMCWQEA-LURJTMIESA-N 1 0 221.264 0.644 20 30 BCEDRO C=C(CO)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000791331921 585977731 /nfs/dbraw/zinc/97/77/31/585977731.db2.gz JCBVLAMYDQVDQK-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[C@@H]1O ZINC000791388602 585980030 /nfs/dbraw/zinc/98/00/30/585980030.db2.gz AMTJEMQYDVIIKA-RYUDHWBXSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CCC[C@@H]1O ZINC000791388598 585980034 /nfs/dbraw/zinc/98/00/34/585980034.db2.gz AMTJEMQYDVIIKA-NEPJUHHUSA-N 1 0 240.347 0.724 20 30 BCEDRO C=CCOCC(=O)OCCC[NH+](C)C ZINC000791856126 585989660 /nfs/dbraw/zinc/98/96/60/585989660.db2.gz IUNUWCBBZOBUOG-UHFFFAOYSA-N 1 0 201.266 0.684 20 30 BCEDRO C[NH+](C)CCCOC(=O)c1cc(C#N)c[nH]1 ZINC000791979431 585992591 /nfs/dbraw/zinc/99/25/91/585992591.db2.gz XNMPOEJMJVQINA-UHFFFAOYSA-N 1 0 221.260 0.995 20 30 BCEDRO C#C[C@@H](C)[N@@H+](C)C[C@H](O)CC(=O)OCC ZINC000859281611 589027181 /nfs/dbraw/zinc/02/71/81/589027181.db2.gz UAMPMKGVAAQSDV-NXEZZACHSA-N 1 0 213.277 0.254 20 30 BCEDRO CC1(C)NC(=O)CCC1=[NH+]n1cnnc1 ZINC000792870288 586005997 /nfs/dbraw/zinc/00/59/97/586005997.db2.gz QNFWVXBDFQLNFF-UHFFFAOYSA-N 1 0 207.237 0.171 20 30 BCEDRO C#CCNC(=S)NC[C@H](C)C[NH+](C)C ZINC000793261357 586015417 /nfs/dbraw/zinc/01/54/17/586015417.db2.gz ZNOQPTGJGJSZOD-VIFPVBQESA-N 1 0 213.350 0.281 20 30 BCEDRO Cc1ccccc1-n1nccc1C=NNC(N)=[NH2+] ZINC000794488843 586040576 /nfs/dbraw/zinc/04/05/76/586040576.db2.gz NBGXXKWPIICULR-UHFFFAOYSA-N 1 0 242.286 0.998 20 30 BCEDRO COC(=O)C[C@@H]1CCC(N=NC(N)=[NH2+])[C@H]1C ZINC000794488500 586040630 /nfs/dbraw/zinc/04/06/30/586040630.db2.gz ISWFWFIWMZCENG-BQBZGAKWSA-N 1 0 226.280 0.435 20 30 BCEDRO CC(C)n1nccc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000794532088 586042261 /nfs/dbraw/zinc/04/22/61/586042261.db2.gz ZZMFYGUNAPWZEJ-VIFPVBQESA-N 1 0 234.307 0.735 20 30 BCEDRO Cc1ccncc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000794529388 586042326 /nfs/dbraw/zinc/04/23/26/586042326.db2.gz CMCDLYRAIJQABS-VIFPVBQESA-N 1 0 217.276 0.661 20 30 BCEDRO CC[N@H+](CCO[C@@H](C)C#N)[C@H](C)CO ZINC000794713879 586047175 /nfs/dbraw/zinc/04/71/75/586047175.db2.gz YXCOMTWGSOMMSW-ZJUUUORDSA-N 1 0 200.282 0.618 20 30 BCEDRO C[C@H]1CSCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000794927714 586056019 /nfs/dbraw/zinc/05/60/19/586056019.db2.gz PREAOIOLXBJSAY-BQBZGAKWSA-N 1 0 212.322 0.663 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794975141 586060178 /nfs/dbraw/zinc/06/01/78/586060178.db2.gz WUGTZCJFBDWVFY-YTWAJWBKSA-N 1 0 225.288 0.274 20 30 BCEDRO CC[N@@H+]1CCN(CCO[C@@H](C)C#N)[C@@H](C)C1 ZINC000796325961 586100942 /nfs/dbraw/zinc/10/09/42/586100942.db2.gz XBSJENQAKFZCLQ-RYUDHWBXSA-N 1 0 225.336 0.941 20 30 BCEDRO C[C@H](C[C@@H]1CCOC1)[NH2+]CCn1cnc(C#N)n1 ZINC000797089654 586119883 /nfs/dbraw/zinc/11/98/83/586119883.db2.gz YULDNFPBHMRVCF-MNOVXSKESA-N 1 0 249.318 0.554 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000843076664 586137110 /nfs/dbraw/zinc/13/71/10/586137110.db2.gz JAAIHRJUXMBPPK-KBPBESRZSA-N 1 0 233.311 0.564 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000799073038 586155636 /nfs/dbraw/zinc/15/56/36/586155636.db2.gz ZPBKXSUIHFCLKP-NEPJUHHUSA-N 1 0 240.347 0.463 20 30 BCEDRO C=CC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799122754 586159619 /nfs/dbraw/zinc/15/96/19/586159619.db2.gz UZTYXSLHQZQUPB-SNVBAGLBSA-N 1 0 222.288 0.690 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000859337038 589032434 /nfs/dbraw/zinc/03/24/34/589032434.db2.gz VSIOAIKZRHVJIL-STQMWFEESA-N 1 0 237.343 0.998 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000839900695 586219063 /nfs/dbraw/zinc/21/90/63/586219063.db2.gz TYCPIKAODQJGAS-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO Cn1cc(-c2ccc(C=NNC(N)=[NH2+])s2)cn1 ZINC000800810670 586230739 /nfs/dbraw/zinc/23/07/39/586230739.db2.gz XJBVEYIMNBDKDX-UHFFFAOYSA-N 1 0 248.315 0.966 20 30 BCEDRO CC#CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000801112602 586242250 /nfs/dbraw/zinc/24/22/50/586242250.db2.gz WLTCVLYMQZUXRZ-UHFFFAOYSA-N 1 0 229.283 0.754 20 30 BCEDRO CC#CC(=O)NCCCC[N@@H+]1CCC[C@H]1CO ZINC000801173879 586245089 /nfs/dbraw/zinc/24/50/89/586245089.db2.gz GCZJJKZAWYZWOB-LBPRGKRZSA-N 1 0 238.331 0.363 20 30 BCEDRO CC#CC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000801180323 586246008 /nfs/dbraw/zinc/24/60/08/586246008.db2.gz VSXYQHCXXZHTIR-QWRGUYRKSA-N 1 0 208.305 0.951 20 30 BCEDRO CC#CC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000801218352 586248321 /nfs/dbraw/zinc/24/83/21/586248321.db2.gz HACQJTGJBFGKDU-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000801918146 586276353 /nfs/dbraw/zinc/27/63/53/586276353.db2.gz XHASSEMVPBXOTQ-GHMZBOCLSA-N 1 0 239.319 0.645 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000801940350 586279386 /nfs/dbraw/zinc/27/93/86/586279386.db2.gz AEULURGBCGDCNF-PWSUYJOCSA-N 1 0 239.319 0.645 20 30 BCEDRO C[C@H](C#N)OCCN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000801940739 586280262 /nfs/dbraw/zinc/28/02/62/586280262.db2.gz QPACRWUHKBOLIY-IJLUTSLNSA-N 1 0 225.336 0.939 20 30 BCEDRO C[C@H](C#N)OCCN1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000801940743 586280559 /nfs/dbraw/zinc/28/05/59/586280559.db2.gz QPACRWUHKBOLIY-SDDRHHMPSA-N 1 0 225.336 0.939 20 30 BCEDRO CC[C@@]1(O)CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801946075 586281250 /nfs/dbraw/zinc/28/12/50/586281250.db2.gz KWCPCZPGRQBMCU-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C#C[C@H]([NH2+]CCc1ccnn1C)[C@H]1CCCO1 ZINC000801943471 586281493 /nfs/dbraw/zinc/28/14/93/586281493.db2.gz WGHDBTOBCXZONZ-QWHCGFSZSA-N 1 0 233.315 0.733 20 30 BCEDRO C[C@@H](C#N)OCCN1CCO[C@@]2(CCOC2)C1 ZINC000801942406 586281585 /nfs/dbraw/zinc/28/15/85/586281585.db2.gz QTRCRGIXPBRWQA-RYUDHWBXSA-N 1 0 240.303 0.406 20 30 BCEDRO COC[C@H]([NH2+]CCO[C@@H](C)C#N)[C@@H]1CCCO1 ZINC000801952284 586282783 /nfs/dbraw/zinc/28/27/83/586282783.db2.gz RIHWEQCGENAKND-SRVKXCTJSA-N 1 0 242.319 0.699 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000801953953 586284023 /nfs/dbraw/zinc/28/40/23/586284023.db2.gz ZKGHOJPJHYWMKH-UTUOFQBUSA-N 1 0 242.319 0.387 20 30 BCEDRO COCC#CCOC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803495358 586362134 /nfs/dbraw/zinc/36/21/34/586362134.db2.gz OHXNRPHCANPELV-LLVKDONJSA-N 1 0 227.304 0.766 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCC1(O)CCC1 ZINC000803703551 586371011 /nfs/dbraw/zinc/37/10/11/586371011.db2.gz MDOUORSDMIWLMA-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CCO)CC1CC1 ZINC000804251701 586386369 /nfs/dbraw/zinc/38/63/69/586386369.db2.gz PEYPHBNIVUAYEG-UHFFFAOYSA-N 1 0 226.320 0.335 20 30 BCEDRO C#CCOCCC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000804382207 586394515 /nfs/dbraw/zinc/39/45/15/586394515.db2.gz YOYKHKDAECIANH-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCNC(=O)CC[NH+](C1CC1)C1CC1 ZINC000859625914 589049754 /nfs/dbraw/zinc/04/97/54/589049754.db2.gz DUYTXIMGIOZAGK-UHFFFAOYSA-N 1 0 206.289 0.753 20 30 BCEDRO Cc1ccc(C#N)c(N2CCC([NH3+])(CO)CC2)n1 ZINC000804459456 586395967 /nfs/dbraw/zinc/39/59/67/586395967.db2.gz WCBADPSCIBJECG-UHFFFAOYSA-N 1 0 246.314 0.552 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cccc(-n2ccnn2)c1 ZINC000807961904 586452935 /nfs/dbraw/zinc/45/29/35/586452935.db2.gz KZXUFRNGTUMKIA-UHFFFAOYSA-N 1 0 243.274 0.474 20 30 BCEDRO CC(C)[N@H+]1CC(N=Nc2nc[nH]n2)[C@H](C)C1 ZINC000807998722 586457385 /nfs/dbraw/zinc/45/73/85/586457385.db2.gz QPOBHVBVCLAJRW-MRVPVSSYSA-N 1 0 222.296 0.933 20 30 BCEDRO CON=CC(=O)NCC1([NH+](C)C)CCCCC1 ZINC000809538188 586506370 /nfs/dbraw/zinc/50/63/70/586506370.db2.gz JUBCILZMUAEILE-UHFFFAOYSA-N 1 0 241.335 0.999 20 30 BCEDRO CON=CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000809634970 586510353 /nfs/dbraw/zinc/51/03/53/586510353.db2.gz CXJSTZQYPHNKOP-JTQLQIEISA-N 1 0 227.308 0.465 20 30 BCEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)C=NOC ZINC000809677567 586511384 /nfs/dbraw/zinc/51/13/84/586511384.db2.gz NOGCQLWOQRGECB-JTQLQIEISA-N 1 0 227.308 0.609 20 30 BCEDRO CON=CC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000809693152 586513370 /nfs/dbraw/zinc/51/33/70/586513370.db2.gz OTTOQKTTYRHEJK-SECBINFHSA-N 1 0 215.297 0.321 20 30 BCEDRO CON=CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000809706640 586513966 /nfs/dbraw/zinc/51/39/66/586513966.db2.gz GLCKFVSDTFCNAG-JTQLQIEISA-N 1 0 245.348 0.172 20 30 BCEDRO CON=CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000809732898 586515188 /nfs/dbraw/zinc/51/51/88/586515188.db2.gz QTKWTMGOHULDFH-UHFFFAOYSA-N 1 0 241.335 0.855 20 30 BCEDRO CON=CC(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000809762200 586517992 /nfs/dbraw/zinc/51/79/92/586517992.db2.gz HGHJLLQLLPHBEP-LLVKDONJSA-N 1 0 241.335 0.999 20 30 BCEDRO CON=CC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000809798068 586521305 /nfs/dbraw/zinc/52/13/05/586521305.db2.gz IEYAUACTWNWFIE-NSHDSACASA-N 1 0 239.319 0.752 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000811170110 586556144 /nfs/dbraw/zinc/55/61/44/586556144.db2.gz CSKHUBSIYCLPOC-YPMHNXCESA-N 1 0 240.347 0.914 20 30 BCEDRO CC(N=NC(N)=[NH2+])[C@H](C)NC(=O)OC(C)(C)C ZINC000811638163 586562312 /nfs/dbraw/zinc/56/23/12/586562312.db2.gz IZLUOXOOJHYABJ-LURJTMIESA-N 1 0 243.311 0.759 20 30 BCEDRO CN(C)c1ncc(C=[NH+]N2CCOCC2)n1C ZINC000811630300 586562326 /nfs/dbraw/zinc/56/23/26/586562326.db2.gz XTYIVYWCRWWUAU-UHFFFAOYSA-N 1 0 237.307 0.152 20 30 BCEDRO CN(C)c1ncc(C=[NH+]NCC(F)F)n1C ZINC000811643023 586562642 /nfs/dbraw/zinc/56/26/42/586562642.db2.gz PBINOEWJXBJTBD-UHFFFAOYSA-N 1 0 231.250 0.675 20 30 BCEDRO CC[C@H](O)CN[NH+]=Cc1cnc(N(C)C)n1C ZINC000811655427 586563812 /nfs/dbraw/zinc/56/38/12/586563812.db2.gz NUNVHTZQVAYCMO-JTQLQIEISA-N 1 0 239.323 0.181 20 30 BCEDRO C#C[C@@H](NC(=O)NCCC[NH+](C)C)C(C)C ZINC000811990943 586569268 /nfs/dbraw/zinc/56/92/68/586569268.db2.gz SECXKJJERDXSIF-LLVKDONJSA-N 1 0 225.336 0.895 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000812011059 586569510 /nfs/dbraw/zinc/56/95/10/586569510.db2.gz PMSQGRXEEQUGMB-JTQLQIEISA-N 1 0 209.293 0.355 20 30 BCEDRO Cn1cc(C=NNC(N)=[NH2+])c(C(F)F)n1 ZINC000812224733 586570891 /nfs/dbraw/zinc/57/08/91/586570891.db2.gz UFQJTIYDCUPHPZ-UHFFFAOYSA-N 1 0 216.195 0.175 20 30 BCEDRO CCC[N@H+](CC)C[C@@H](C)NC(=O)C=NOC ZINC000812388287 586575261 /nfs/dbraw/zinc/57/52/61/586575261.db2.gz YGQTZJHNXHCMBH-SNVBAGLBSA-N 1 0 229.324 0.855 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(C)(C)OCCO ZINC000813844111 586608005 /nfs/dbraw/zinc/60/80/05/586608005.db2.gz OEPJXHDLQSUHSX-UHFFFAOYSA-N 1 0 244.335 0.008 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)nc1 ZINC000814138426 586614461 /nfs/dbraw/zinc/61/44/61/586614461.db2.gz TXNFKUUWOGCPQH-LLVKDONJSA-N 1 0 245.326 0.990 20 30 BCEDRO C#CCOCCC(=O)NC[C@H](C)C[NH+](C)C ZINC000814138611 586614503 /nfs/dbraw/zinc/61/45/03/586614503.db2.gz XYSDSMQCHMQYIM-NSHDSACASA-N 1 0 226.320 0.340 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)cn1 ZINC000814136597 586614516 /nfs/dbraw/zinc/61/45/16/586614516.db2.gz DECGNBCEIAHQNX-NSHDSACASA-N 1 0 245.326 0.990 20 30 BCEDRO Cc1nnsc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000814225430 586618071 /nfs/dbraw/zinc/61/80/71/586618071.db2.gz HODVNAKTVFWEHE-RXMQYKEDSA-N 1 0 224.293 0.118 20 30 BCEDRO CC(C)(C)c1ncc(C=NNC(N)=[NH2+])cn1 ZINC000814796634 586634637 /nfs/dbraw/zinc/63/46/37/586634637.db2.gz JPFZYGRCWQQMFE-UHFFFAOYSA-N 1 0 220.280 0.591 20 30 BCEDRO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cc[nH]n1 ZINC000814886041 586643029 /nfs/dbraw/zinc/64/30/29/586643029.db2.gz PMCUKHCTKOSCIX-QWRGUYRKSA-N 1 0 246.318 0.994 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=C2COc3cc(F)ccc32)N1 ZINC000814897162 586645185 /nfs/dbraw/zinc/64/51/85/586645185.db2.gz GITCPDBKJMPAPR-ZETCQYMHSA-N 1 0 248.261 0.860 20 30 BCEDRO CN(CCO)c1ccc(C=[NH+]NCCO)cc1 ZINC000814942257 586656316 /nfs/dbraw/zinc/65/63/16/586656316.db2.gz QKSSMKPRESODAE-UHFFFAOYSA-N 1 0 237.303 0.031 20 30 BCEDRO CN(CCC#N)c1ccc(C=[NH+]NCCO)cc1 ZINC000814942604 586656809 /nfs/dbraw/zinc/65/68/09/586656809.db2.gz LGDZFATVQXIHGB-UHFFFAOYSA-N 1 0 246.314 0.952 20 30 BCEDRO Cc1nn(-c2cc[nH+]cc2)cc1C=NNCCO ZINC000814943957 586657506 /nfs/dbraw/zinc/65/75/06/586657506.db2.gz OUBKOAYTTJJITF-UHFFFAOYSA-N 1 0 245.286 0.492 20 30 BCEDRO C[C@H](O)CN[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000814960304 586658921 /nfs/dbraw/zinc/65/89/21/586658921.db2.gz QCVNKSVCYFAHFD-NSHDSACASA-N 1 0 248.330 0.986 20 30 BCEDRO C[C@H](O)CNN=C1CCC[C@@H]([NH+](C)C)C1 ZINC000814959588 586659063 /nfs/dbraw/zinc/65/90/63/586659063.db2.gz IFIYCMUHGNXFBV-GXSJLCMTSA-N 1 0 213.325 0.817 20 30 BCEDRO C[C@@H](O)CN[NH+]=Cc1cnccc1N(C)C ZINC000814964783 586660973 /nfs/dbraw/zinc/66/09/73/586660973.db2.gz DPLPITSAXDVSEL-SECBINFHSA-N 1 0 222.292 0.452 20 30 BCEDRO N#CCCOCC[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000815090784 586665652 /nfs/dbraw/zinc/66/56/52/586665652.db2.gz NHCOZBLXWKIARX-QWRGUYRKSA-N 1 0 239.319 0.550 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C)[C@H](F)C1 ZINC000815087964 586666141 /nfs/dbraw/zinc/66/61/41/586666141.db2.gz WLCHFUVYRYPNBI-GHMZBOCLSA-N 1 0 226.295 0.806 20 30 BCEDRO C=CCOCC[NH2+]C1(CO)COC(C)(C)OC1 ZINC000815102472 586666460 /nfs/dbraw/zinc/66/64/60/586666460.db2.gz IXXJGYKOAYAGGI-UHFFFAOYSA-N 1 0 245.319 0.293 20 30 BCEDRO CCNC(=O)[C@@H]([NH2+]CCO[C@H](C)C#N)C(C)C ZINC000815133737 586669117 /nfs/dbraw/zinc/66/91/17/586669117.db2.gz UPDKCYIHKKZPRA-MNOVXSKESA-N 1 0 241.335 0.665 20 30 BCEDRO C=CCC(F)(F)C(=O)N1CC([NH+](C)C)C1 ZINC000815886985 586696264 /nfs/dbraw/zinc/69/62/64/586696264.db2.gz PDWOODRPNPJXCC-UHFFFAOYSA-N 1 0 218.247 0.970 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cnccc1OC ZINC000817086059 586781189 /nfs/dbraw/zinc/78/11/89/586781189.db2.gz LCWRMRNCADBPKQ-UHFFFAOYSA-N 1 0 249.314 0.824 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817165638 586784820 /nfs/dbraw/zinc/78/48/20/586784820.db2.gz OGCLTFVKIMNKFG-MNOVXSKESA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000817298244 586794155 /nfs/dbraw/zinc/79/41/55/586794155.db2.gz JDBFGFPZHIBMTA-GFCCVEGCSA-N 1 0 238.331 0.220 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817494539 586808459 /nfs/dbraw/zinc/80/84/59/586808459.db2.gz KBZVWORREJNZPF-RYUDHWBXSA-N 1 0 238.331 0.577 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H]1COC ZINC000817806534 586828637 /nfs/dbraw/zinc/82/86/37/586828637.db2.gz APSNYEMEWDUYLX-JTQLQIEISA-N 1 0 212.293 0.352 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859887276 589068883 /nfs/dbraw/zinc/06/88/83/589068883.db2.gz HRWPHDMHQZFIQU-WQGACYEGSA-N 1 0 241.356 0.622 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](OC)C1CC1 ZINC000818535903 586899211 /nfs/dbraw/zinc/89/92/11/586899211.db2.gz HHGYEFOCGRQYCQ-NSHDSACASA-N 1 0 226.320 0.645 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC)C(C)(C)O ZINC000818580322 586903163 /nfs/dbraw/zinc/90/31/63/586903163.db2.gz FVWACKAXOYDCIQ-JTQLQIEISA-N 1 0 228.336 0.770 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C[C@@H](C)OC ZINC000818588784 586903999 /nfs/dbraw/zinc/90/39/99/586903999.db2.gz GNHVEGBTWVIXNM-LLVKDONJSA-N 1 0 226.320 0.483 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@H]1CCCO1 ZINC000818949544 586917180 /nfs/dbraw/zinc/91/71/80/586917180.db2.gz MLIASNAGWJRYLA-LLVKDONJSA-N 1 0 224.304 0.285 20 30 BCEDRO N#Cc1cccnc1NCC[NH2+]C[C@H](O)C1CC1 ZINC000818974804 586919287 /nfs/dbraw/zinc/91/92/87/586919287.db2.gz FQVJGJYMYKNBMP-LBPRGKRZSA-N 1 0 246.314 0.726 20 30 BCEDRO C#CCSCC[NH2+]C[C@H](O)CSC ZINC000819092988 586930045 /nfs/dbraw/zinc/93/00/45/586930045.db2.gz HMNQEWIRUGTWMV-VIFPVBQESA-N 1 0 219.375 0.666 20 30 BCEDRO C#CCSCC[NH2+]C[C@@H](O)CSC ZINC000819092987 586930442 /nfs/dbraw/zinc/93/04/42/586930442.db2.gz HMNQEWIRUGTWMV-SECBINFHSA-N 1 0 219.375 0.666 20 30 BCEDRO C#CCCCC[NH2+]CC1(O)CCOCC1 ZINC000819156624 586934346 /nfs/dbraw/zinc/93/43/46/586934346.db2.gz JGZBSZLCPWQLSF-UHFFFAOYSA-N 1 0 211.305 0.921 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000819212062 586939667 /nfs/dbraw/zinc/93/96/67/586939667.db2.gz IRCJNMUAYYWTKV-NWDGAFQWSA-N 1 0 238.331 0.673 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](CO)CC1 ZINC000819229356 586940154 /nfs/dbraw/zinc/94/01/54/586940154.db2.gz PZUDOBZAUJQQNU-GFCCVEGCSA-N 1 0 240.347 0.725 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)COC(C)C ZINC000819230988 586940944 /nfs/dbraw/zinc/94/09/44/586940944.db2.gz OISPYBQLNOEHAL-LLVKDONJSA-N 1 0 215.293 0.012 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)CC(F)(F)F ZINC000819230959 586941421 /nfs/dbraw/zinc/94/14/21/586941421.db2.gz NSMAJISBAKWTQW-MRVPVSSYSA-N 1 0 225.210 0.539 20 30 BCEDRO CC(C)OCC[C@@H](O)C[NH2+]CCC#N ZINC000819269359 586945438 /nfs/dbraw/zinc/94/54/38/586945438.db2.gz GKMPHNPGPNSXCM-SNVBAGLBSA-N 1 0 200.282 0.666 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCn2ccnc21 ZINC000819338265 586953635 /nfs/dbraw/zinc/95/36/35/586953635.db2.gz ZDBQSVIFKIUGGJ-SNVBAGLBSA-N 1 0 232.287 0.057 20 30 BCEDRO C=C(CC)C[NH2+]CCC(=O)N(C)OC ZINC000819356552 586955389 /nfs/dbraw/zinc/95/53/89/586955389.db2.gz GOUCEFXNGTWURQ-UHFFFAOYSA-N 1 0 200.282 0.952 20 30 BCEDRO C#Cc1cccc(C[NH2+]CCC(N)=O)c1 ZINC000819356528 586956604 /nfs/dbraw/zinc/95/66/04/586956604.db2.gz FYHZHEHUXRVHES-UHFFFAOYSA-N 1 0 202.257 0.633 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C1CC1 ZINC000819381378 586959749 /nfs/dbraw/zinc/95/97/49/586959749.db2.gz CDUWWBNCDFOAAT-SRVKXCTJSA-N 1 0 211.305 0.938 20 30 BCEDRO CO[C@H]1C[C@H]2CC(N=NC(N)=[NH2+])C[C@H]2C1 ZINC000819806537 586995788 /nfs/dbraw/zinc/99/57/88/586995788.db2.gz VOTFPPCUEFYWKQ-QMSLJYSESA-N 1 0 210.281 0.660 20 30 BCEDRO Cc1ccc(N=NC2CC[NH+](CCO)CC2)nn1 ZINC000819807218 586996054 /nfs/dbraw/zinc/99/60/54/586996054.db2.gz BTJXURILDLUUMR-UHFFFAOYSA-N 1 0 249.318 0.641 20 30 BCEDRO OCC[NH+]1CCC(=NOC[C@@H]2CCOC2)CC1 ZINC000819809345 586996375 /nfs/dbraw/zinc/99/63/75/586996375.db2.gz FPRSMMXLMSOWAI-LLVKDONJSA-N 1 0 242.319 0.484 20 30 BCEDRO CSCCON=C1CC[NH+](CCO)CC1 ZINC000819809913 586996427 /nfs/dbraw/zinc/99/64/27/586996427.db2.gz RLZIRUNIBOACJW-UHFFFAOYSA-N 1 0 232.349 0.810 20 30 BCEDRO COCCCNN=C1CC[NH+](CCO)CC1 ZINC000819809395 586996571 /nfs/dbraw/zinc/99/65/71/586996571.db2.gz GJQRSNFIKAVIKT-UHFFFAOYSA-N 1 0 229.324 0.057 20 30 BCEDRO COCCCON=C1CC[NH+](CCO)CC1 ZINC000819812985 586997105 /nfs/dbraw/zinc/99/71/05/586997105.db2.gz JIVYCQAHZOZZRZ-UHFFFAOYSA-N 1 0 230.308 0.484 20 30 BCEDRO COC[C@@H](C)NN=C1CC[NH+](CCO)CC1 ZINC000819812488 586997269 /nfs/dbraw/zinc/99/72/69/586997269.db2.gz MLHNWXPKJUJERW-SNVBAGLBSA-N 1 0 229.324 0.055 20 30 BCEDRO Nc1cnccc1C=[NH+]N1CCC[C@@H]1CO ZINC000819814249 586997797 /nfs/dbraw/zinc/99/77/97/586997797.db2.gz XVTZRJQSXQSAOH-SNVBAGLBSA-N 1 0 220.276 0.454 20 30 BCEDRO C#CCCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000819981456 587010815 /nfs/dbraw/zinc/01/08/15/587010815.db2.gz AWTFEPUMYPNGQM-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)c1c[nH+]ccc1N(C)C ZINC000820059451 587016026 /nfs/dbraw/zinc/01/60/26/587016026.db2.gz FQRSDOQFLOPJLY-JTQLQIEISA-N 1 0 247.298 0.262 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000820427541 587048356 /nfs/dbraw/zinc/04/83/56/587048356.db2.gz IKGHTCVPASIYHZ-GRYCIOLGSA-N 1 0 237.347 0.990 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCCNc1cc[nH+]cc1 ZINC000820435926 587048855 /nfs/dbraw/zinc/04/88/55/587048855.db2.gz QDDHVCZRNSYPOF-SNVBAGLBSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[C@H](CO)Nc1nc(C)nc(N(C)C)n1 ZINC000820581317 587055950 /nfs/dbraw/zinc/05/59/50/587055950.db2.gz PRRKPSUCLYRWEL-SECBINFHSA-N 1 0 235.291 0.042 20 30 BCEDRO N#CCCOCC[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC000860167627 589085449 /nfs/dbraw/zinc/08/54/49/589085449.db2.gz ILOLTIYZLQQZCB-UWVGGRQHSA-N 1 0 224.260 0.021 20 30 BCEDRO C#CCN(CC#C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000821381276 587114542 /nfs/dbraw/zinc/11/45/42/587114542.db2.gz WVXLDRQNCSZABB-CYBMUJFWSA-N 1 0 222.332 0.256 20 30 BCEDRO COCC[N@H+](C)CCCNC(=O)C#CC(C)C ZINC000821885324 587145503 /nfs/dbraw/zinc/14/55/03/587145503.db2.gz YLMPEIZYVDRZQX-UHFFFAOYSA-N 1 0 240.347 0.730 20 30 BCEDRO C#CCN(C(=O)C[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000821960293 587147991 /nfs/dbraw/zinc/14/79/91/587147991.db2.gz GAXITIDFYGHWKG-NSHDSACASA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@H](NC(=O)[C@@H](C)[NH+](C)C)[C@@H]1CCCO1 ZINC000822073794 587151275 /nfs/dbraw/zinc/15/12/75/587151275.db2.gz UGMXJZMRDDEEEL-VWYCJHECSA-N 1 0 224.304 0.234 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C1(C[NH+](C)C)CC1 ZINC000822408109 587166504 /nfs/dbraw/zinc/16/65/04/587166504.db2.gz ZCALQFOZAIODEA-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@H](CC)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000822406805 587166670 /nfs/dbraw/zinc/16/66/70/587166670.db2.gz KDJLNHQYAIJGNW-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCN(CC#N)C(=O)C[NH+]1CCCC1 ZINC000822679245 587180771 /nfs/dbraw/zinc/18/07/71/587180771.db2.gz FPPARKFRFIEQED-UHFFFAOYSA-N 1 0 205.261 0.068 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000823075004 587201080 /nfs/dbraw/zinc/20/10/80/587201080.db2.gz FQIUSUDKVALMFK-LLVKDONJSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000823309987 587215678 /nfs/dbraw/zinc/21/56/78/587215678.db2.gz FPQFZHWZISFKOW-NWDGAFQWSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000823314388 587216107 /nfs/dbraw/zinc/21/61/07/587216107.db2.gz HPKDXBGFDJTTMS-GFCCVEGCSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)C(C)C ZINC000823314006 587216189 /nfs/dbraw/zinc/21/61/89/587216189.db2.gz CYAUBVDYKADDCC-NSHDSACASA-N 1 0 226.320 0.481 20 30 BCEDRO C=CCOCc1nc(N2CC[NH2+]CC2)no1 ZINC000823346083 587217201 /nfs/dbraw/zinc/21/72/01/587217201.db2.gz DFCXKIGUOWOXLG-UHFFFAOYSA-N 1 0 224.264 0.182 20 30 BCEDRO CCC(=O)N1CCN(CCO[C@H](C)C#N)C1 ZINC000823497627 587227576 /nfs/dbraw/zinc/22/75/76/587227576.db2.gz IELVUBZJDQOUKL-SNVBAGLBSA-N 1 0 225.292 0.427 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@H]1CCc2cncn2C1 ZINC000824116466 587256453 /nfs/dbraw/zinc/25/64/53/587256453.db2.gz LCAPACBZAARHHB-MNOVXSKESA-N 1 0 247.298 0.352 20 30 BCEDRO C=C(C)CONC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000824233251 587262196 /nfs/dbraw/zinc/26/21/96/587262196.db2.gz RFFBTZXYVOQANO-SNVBAGLBSA-N 1 0 212.293 0.952 20 30 BCEDRO C[C@@H](C#N)N(C(=O)C[NH+]1CCCC1)C1CC1 ZINC000824459677 587270995 /nfs/dbraw/zinc/27/09/95/587270995.db2.gz RZLJZLDSTWOFBY-JTQLQIEISA-N 1 0 221.304 0.985 20 30 BCEDRO CN1CCCC[C@H]1C(=O)n1ncc(C#N)c1N ZINC000824817219 587288856 /nfs/dbraw/zinc/28/88/56/587288856.db2.gz JNJPVWKNNYAJBY-VIFPVBQESA-N 1 0 233.275 0.461 20 30 BCEDRO C#CC[C@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000824868856 587291063 /nfs/dbraw/zinc/29/10/63/587291063.db2.gz FDKHRJTXXDYSHV-LBPRGKRZSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)[C@@H](C)[NH+](C)C ZINC000825079997 587303170 /nfs/dbraw/zinc/30/31/70/587303170.db2.gz CSFPPHAHQRDTAE-MNOVXSKESA-N 1 0 226.320 0.481 20 30 BCEDRO C#CC[C@H](COC)NC(=O)[C@@H](C)[NH+](C)C ZINC000825080707 587303517 /nfs/dbraw/zinc/30/35/17/587303517.db2.gz VGUSNPMDNMZDSF-NXEZZACHSA-N 1 0 212.293 0.091 20 30 BCEDRO C=C1CN(C(=O)COC2CC[NH+](C)CC2)C1 ZINC000825129539 587306208 /nfs/dbraw/zinc/30/62/08/587306208.db2.gz USHSNEUXKVNORW-UHFFFAOYSA-N 1 0 224.304 0.496 20 30 BCEDRO C=C[C@H](CC)CC(=O)N(C)CC[N@H+](C)CCO ZINC000825528066 587323321 /nfs/dbraw/zinc/32/33/21/587323321.db2.gz WJKISHFLOKTUCW-GFCCVEGCSA-N 1 0 242.363 0.971 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000826085446 587350589 /nfs/dbraw/zinc/35/05/89/587350589.db2.gz FGJQDSNMDXYZBX-RYUDHWBXSA-N 1 0 238.331 0.577 20 30 BCEDRO CC(C)C#CC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000826598257 587356333 /nfs/dbraw/zinc/35/63/33/587356333.db2.gz FBPZPRGCOPVPRT-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO CON=CC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000826721835 587359893 /nfs/dbraw/zinc/35/98/93/587359893.db2.gz KEHYMNKZYWHUOZ-VIFPVBQESA-N 1 0 213.281 0.077 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(CC[NH+](C)C)C(C)C ZINC000827203244 587372704 /nfs/dbraw/zinc/37/27/04/587372704.db2.gz RWZHAWNWWZMWGW-LBPRGKRZSA-N 1 0 240.347 0.823 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)CC[C@@H]21 ZINC000827245067 587373701 /nfs/dbraw/zinc/37/37/01/587373701.db2.gz ICBOIMAPTATEJR-OLZOCXBDSA-N 1 0 232.327 0.952 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827246434 587373985 /nfs/dbraw/zinc/37/39/85/587373985.db2.gz RECQBZRWAAUOBD-GVXVVHGQSA-N 1 0 238.331 0.476 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCOC1)C1CCOCC1 ZINC000827565554 587388866 /nfs/dbraw/zinc/38/88/66/587388866.db2.gz MXCIJHMFQZXQLC-RYUDHWBXSA-N 1 0 209.289 0.793 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1cnn(C)c1)C1CCOCC1 ZINC000827575746 587389290 /nfs/dbraw/zinc/38/92/90/587389290.db2.gz UVHQGRSCMQYCGV-CYBMUJFWSA-N 1 0 233.315 0.938 20 30 BCEDRO C#Cc1cnc(N2C[C@H](C)[N@@H+](C)C[C@H]2C)nc1 ZINC000827852101 587405837 /nfs/dbraw/zinc/40/58/37/587405837.db2.gz JDLWEAZQCPGLBJ-WDEREUQCSA-N 1 0 230.315 0.987 20 30 BCEDRO Cc1cnc(C(=O)NCC#CC[NH+](C)C)cc1C ZINC000827972296 587414187 /nfs/dbraw/zinc/41/41/87/587414187.db2.gz YMBDLGUUCKITBD-UHFFFAOYSA-N 1 0 245.326 0.993 20 30 BCEDRO C#CCOCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000828329116 587435283 /nfs/dbraw/zinc/43/52/83/587435283.db2.gz ZRISUHDMCOXYTJ-GHMZBOCLSA-N 1 0 224.304 0.093 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(C)CCC[NH+](C)C ZINC000828519118 587447017 /nfs/dbraw/zinc/44/70/17/587447017.db2.gz GJISLLJOAOBYAF-LLVKDONJSA-N 1 0 226.320 0.435 20 30 BCEDRO C#CCCN1CC[NH+](C[C@H](O)CCC)CC1 ZINC000828519008 587447051 /nfs/dbraw/zinc/44/70/51/587447051.db2.gz AIKITIWSEQDCBJ-CYBMUJFWSA-N 1 0 224.348 0.788 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC[S@@](C)=O ZINC000828597401 587453219 /nfs/dbraw/zinc/45/32/19/587453219.db2.gz XJCWQYUDBKXANU-ISTVAULSSA-N 1 0 217.334 0.688 20 30 BCEDRO C#C[C@H]([NH2+]CCC[C@H](C)O)[C@@H]1CCCO1 ZINC000828952875 587474970 /nfs/dbraw/zinc/47/49/70/587474970.db2.gz DKBDOUGRZSUUMX-SRVKXCTJSA-N 1 0 211.305 0.918 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1COCCO1)[C@H]1CCCO1 ZINC000828954265 587475417 /nfs/dbraw/zinc/47/54/17/587475417.db2.gz RFEDNHXSIRHJTR-GRYCIOLGSA-N 1 0 225.288 0.172 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](CO)CC(C)C ZINC000829728734 587512257 /nfs/dbraw/zinc/51/22/57/587512257.db2.gz UDEOCQSMRSXEOU-GFCCVEGCSA-N 1 0 242.363 0.970 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000829773635 587514923 /nfs/dbraw/zinc/51/49/23/587514923.db2.gz HMKGICXLJFTGBV-NXEZZACHSA-N 1 0 237.303 0.305 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000829779429 587516011 /nfs/dbraw/zinc/51/60/11/587516011.db2.gz UONAOLAPACQPCN-LBPRGKRZSA-N 1 0 248.326 0.871 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000829788827 587516159 /nfs/dbraw/zinc/51/61/59/587516159.db2.gz HQQURERRNNRRKS-MNOVXSKESA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000829810052 587518680 /nfs/dbraw/zinc/51/86/80/587518680.db2.gz LAWQBPQSEZCZCM-WDEREUQCSA-N 1 0 234.299 0.527 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CCC(=O)C2CC2)C1 ZINC000829992520 587531117 /nfs/dbraw/zinc/53/11/17/587531117.db2.gz YDIWVJIUVZVHHG-LBPRGKRZSA-N 1 0 222.288 0.706 20 30 BCEDRO C=CCn1cc(C(=O)OCCn2ccnc2)nn1 ZINC000830125232 587537328 /nfs/dbraw/zinc/53/73/28/587537328.db2.gz MLUFMDRFJVQSIW-UHFFFAOYSA-N 1 0 247.258 0.518 20 30 BCEDRO C#CC1CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC1 ZINC000830304886 587545314 /nfs/dbraw/zinc/54/53/14/587545314.db2.gz AZOWWRPACPLHOJ-SECBINFHSA-N 1 0 237.303 0.176 20 30 BCEDRO CC(C)C#CC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000830628313 587561324 /nfs/dbraw/zinc/56/13/24/587561324.db2.gz QYWMGZKZRPRBOG-RYUDHWBXSA-N 1 0 238.331 0.481 20 30 BCEDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCO[C@H](C)C#N ZINC000831001511 587581864 /nfs/dbraw/zinc/58/18/64/587581864.db2.gz UYKYADFNKJZUOC-MXWKQRLJSA-N 1 0 240.303 0.846 20 30 BCEDRO CC(C)C#CC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000831006586 587582107 /nfs/dbraw/zinc/58/21/07/587582107.db2.gz BMFCGJYGRKATGG-GFCCVEGCSA-N 1 0 226.320 0.075 20 30 BCEDRO C#CCCCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000831055167 587584272 /nfs/dbraw/zinc/58/42/72/587584272.db2.gz GSEXIBYPIPQHJW-LBPRGKRZSA-N 1 0 223.320 0.841 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@]1(C)CC[NH2+]C1)C(C)C ZINC000831088231 587585823 /nfs/dbraw/zinc/58/58/23/587585823.db2.gz ULYVKWPCEVCDCV-ZYHUDNBSSA-N 1 0 223.320 0.695 20 30 BCEDRO C#CCOCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000831146976 587587684 /nfs/dbraw/zinc/58/76/84/587587684.db2.gz PGDAGVDJBAOFOF-NXEZZACHSA-N 1 0 227.308 0.061 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831174351 587589071 /nfs/dbraw/zinc/58/90/71/587589071.db2.gz ZGTKYWCBXUFKPQ-VIFPVBQESA-N 1 0 207.277 0.061 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831180555 587589819 /nfs/dbraw/zinc/58/98/19/587589819.db2.gz ORNNIYBAUYDBQP-JTQLQIEISA-N 1 0 221.304 0.451 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCn2nccc21 ZINC000831183596 587590091 /nfs/dbraw/zinc/59/00/91/587590091.db2.gz WNLRCUNAZBOBFV-LLVKDONJSA-N 1 0 248.330 0.952 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC)C[C@@H](C)O ZINC000831310233 587597297 /nfs/dbraw/zinc/59/72/97/587597297.db2.gz GZJUWXDBBWDSAD-GHMZBOCLSA-N 1 0 228.336 0.770 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000831327704 587598687 /nfs/dbraw/zinc/59/86/87/587598687.db2.gz IHQGNJIOUNSFHI-ZJUUUORDSA-N 1 0 224.304 0.139 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCN1CCOC1=O ZINC000831679140 587627563 /nfs/dbraw/zinc/62/75/63/587627563.db2.gz QRLOFFHYJYPWDB-ZJUUUORDSA-N 1 0 226.276 0.372 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000831752827 587629656 /nfs/dbraw/zinc/62/96/56/587629656.db2.gz FPSWYIZNIIOLIL-TUAOUCFPSA-N 1 0 238.331 0.821 20 30 BCEDRO CCO[C@@H](CNC(=O)[C@@H](C)C#N)C[NH+](C)C ZINC000831745616 587629795 /nfs/dbraw/zinc/62/97/95/587629795.db2.gz UKDOVLOIQTXBDH-UWVGGRQHSA-N 1 0 227.308 0.229 20 30 BCEDRO CCO[C@@H](CNC(=O)[C@H](C)C#N)C[NH+](C)C ZINC000831745618 587629914 /nfs/dbraw/zinc/62/99/14/587629914.db2.gz UKDOVLOIQTXBDH-ZJUUUORDSA-N 1 0 227.308 0.229 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)C[C@H]([NH3+])C1CC1 ZINC000831789884 587631866 /nfs/dbraw/zinc/63/18/66/587631866.db2.gz VDWJUFDVIOSOSY-QMMMGPOBSA-N 1 0 219.248 0.347 20 30 BCEDRO C#CCNC(=O)CN1CC[N@@H+](CC)C[C@H]1CC ZINC000831965121 587639910 /nfs/dbraw/zinc/63/99/10/587639910.db2.gz PVZRQFQPWHBUJZ-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC(C(C)=O)CC1 ZINC000832282519 587652991 /nfs/dbraw/zinc/65/29/91/587652991.db2.gz VFVWPBGCVBOGCD-UHFFFAOYSA-N 1 0 238.331 0.932 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@H](O)CCC ZINC000832666611 587675547 /nfs/dbraw/zinc/67/55/47/587675547.db2.gz FLFYBXGYGYTFLN-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO CON=CC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000832948983 587695324 /nfs/dbraw/zinc/69/53/24/587695324.db2.gz CDALSECVPLCDOE-SNVBAGLBSA-N 1 0 239.319 0.561 20 30 BCEDRO C=CCCCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000834317157 587751356 /nfs/dbraw/zinc/75/13/56/587751356.db2.gz RDEYPFIAOCLJDN-MNOVXSKESA-N 1 0 226.320 0.917 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(F)n1 ZINC000834479572 587756037 /nfs/dbraw/zinc/75/60/37/587756037.db2.gz GEUCNAJHLZFTPD-CBAPKCEASA-N 1 0 234.234 0.062 20 30 BCEDRO CC[C@H](C)OCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834480405 587756109 /nfs/dbraw/zinc/75/61/09/587756109.db2.gz PPJXQOUVANBDNI-AEJSXWLSSA-N 1 0 225.292 0.029 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(F)c1 ZINC000834479220 587756115 /nfs/dbraw/zinc/75/61/15/587756115.db2.gz BFAVLCOLWGCAEZ-SKDRFNHKSA-N 1 0 247.273 0.976 20 30 BCEDRO Cc1cscc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834479940 587756136 /nfs/dbraw/zinc/75/61/36/587756136.db2.gz JQGVKUYNERMKRH-WCBMZHEXSA-N 1 0 235.312 0.898 20 30 BCEDRO CC1(C)C(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1(C)C ZINC000834479400 587756174 /nfs/dbraw/zinc/75/61/74/587756174.db2.gz DJOKJFQDLNTATD-DTWKUNHWSA-N 1 0 235.331 0.896 20 30 BCEDRO C=CCOCCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834480234 587756218 /nfs/dbraw/zinc/75/62/18/587756218.db2.gz NBSXFIACXIFOHP-GHMZBOCLSA-N 1 0 237.303 0.197 20 30 BCEDRO CCCC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834481055 587756360 /nfs/dbraw/zinc/75/63/60/587756360.db2.gz ZNKANIHVGHEIJV-VHSXEESVSA-N 1 0 221.304 0.794 20 30 BCEDRO Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1F ZINC000834480830 587756485 /nfs/dbraw/zinc/75/64/85/587756485.db2.gz WWKAEYHCMDDBLG-GXSJLCMTSA-N 1 0 247.273 0.976 20 30 BCEDRO C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1(F)F ZINC000834485649 587756512 /nfs/dbraw/zinc/75/65/12/587756512.db2.gz ZTWCGJPESZPXOU-ACLDMZEESA-N 1 0 229.230 0.259 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(N)cc1 ZINC000834484720 587756640 /nfs/dbraw/zinc/75/66/40/587756640.db2.gz MDGNCQFXWOQYPF-ONGXEEELSA-N 1 0 230.271 0.110 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCO1 ZINC000834485335 587756688 /nfs/dbraw/zinc/75/66/88/587756688.db2.gz VJCICROCTXRBHY-CHWFTXMASA-N 1 0 237.303 0.029 20 30 BCEDRO CC(Cl)(Cl)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834485321 587756785 /nfs/dbraw/zinc/75/67/85/587756785.db2.gz VGRNSTFSWIAFBE-RITPCOANSA-N 1 0 236.102 0.408 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(N)c1 ZINC000834485130 587756841 /nfs/dbraw/zinc/75/68/41/587756841.db2.gz SAFXOJOHLFKRFV-MWLCHTKSSA-N 1 0 230.271 0.110 20 30 BCEDRO COCC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCC1 ZINC000834499174 587757303 /nfs/dbraw/zinc/75/73/03/587757303.db2.gz FMRYNXKJILXANK-UWVGGRQHSA-N 1 0 237.303 0.031 20 30 BCEDRO CC[C@H](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834499413 587757389 /nfs/dbraw/zinc/75/73/89/587757389.db2.gz IEVOCAMXLRJKTP-IVZWLZJFSA-N 1 0 209.293 0.650 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(C2CC2)no1 ZINC000834498652 587757513 /nfs/dbraw/zinc/75/75/13/587757513.db2.gz BHRKIFAVQBGDIX-WPRPVWTQSA-N 1 0 246.270 0.393 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834495519 587757534 /nfs/dbraw/zinc/75/75/34/587757534.db2.gz WKNDFMDFZQZQEH-VWYCJHECSA-N 1 0 237.303 0.195 20 30 BCEDRO Cc1ccc(F)c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834495818 587757546 /nfs/dbraw/zinc/75/75/46/587757546.db2.gz ZWOKMYNGHUGWDX-JOYOIKCWSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC000834498649 587757550 /nfs/dbraw/zinc/75/75/50/587757550.db2.gz BHRKIFAVQBGDIX-PSASIEDQSA-N 1 0 246.270 0.393 20 30 BCEDRO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834495727 587757583 /nfs/dbraw/zinc/75/75/83/587757583.db2.gz YRUKDZVZMZZLDI-OUAUKWLOSA-N 1 0 239.319 0.275 20 30 BCEDRO COc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834506188 587757700 /nfs/dbraw/zinc/75/77/00/587757700.db2.gz QKBUHYHVFXHGHZ-CMPLNLGQSA-N 1 0 245.282 0.537 20 30 BCEDRO COc1cccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834506189 587757752 /nfs/dbraw/zinc/75/77/52/587757752.db2.gz QKBUHYHVFXHGHZ-JQWIXIFHSA-N 1 0 245.282 0.537 20 30 BCEDRO C[C@@H]1CC/C(=C\C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000834500542 587757817 /nfs/dbraw/zinc/75/78/17/587757817.db2.gz UKPCOKMICOVSJD-TZRJLBGBSA-N 1 0 233.315 0.961 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccccc1N ZINC000834505862 587757871 /nfs/dbraw/zinc/75/78/71/587757871.db2.gz OSUFFFQOIGMRSG-ZYHUDNBSSA-N 1 0 244.298 0.039 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1CCCCC1 ZINC000834505425 587757903 /nfs/dbraw/zinc/75/79/03/587757903.db2.gz KPEJICRMELOTKQ-QWRGUYRKSA-N 1 0 221.304 0.794 20 30 BCEDRO COc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834505437 587758001 /nfs/dbraw/zinc/75/80/01/587758001.db2.gz KUQVKUUJFVKXOG-PWSUYJOCSA-N 1 0 245.282 0.537 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1cccc(F)c1 ZINC000834506972 587758084 /nfs/dbraw/zinc/75/80/84/587758084.db2.gz WSQUIQKAGBNUBT-ZYHUDNBSSA-N 1 0 247.273 0.596 20 30 BCEDRO COc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834506191 587758161 /nfs/dbraw/zinc/75/81/61/587758161.db2.gz QKBUHYHVFXHGHZ-ZYHUDNBSSA-N 1 0 245.282 0.537 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccc1F ZINC000834507246 587758204 /nfs/dbraw/zinc/75/82/04/587758204.db2.gz ZAXSMUIMTHZQPC-KCJUWKMLSA-N 1 0 233.246 0.667 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCc1ccsc1 ZINC000834510840 587758241 /nfs/dbraw/zinc/75/82/41/587758241.db2.gz FWAVOCARTSZNON-MNOVXSKESA-N 1 0 249.339 0.908 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1ccsc1 ZINC000834510841 587758326 /nfs/dbraw/zinc/75/83/26/587758326.db2.gz FWAVOCARTSZNON-QWRGUYRKSA-N 1 0 249.339 0.908 20 30 BCEDRO C#CCn1cc(CNC(=O)C[N@@H+](C)CCC)cn1 ZINC000834609595 587760859 /nfs/dbraw/zinc/76/08/59/587760859.db2.gz CVDPFWMWOURANK-UHFFFAOYSA-N 1 0 248.330 0.474 20 30 BCEDRO NC(=O)CO[NH+]=C1CCCc2cc(N)ccc21 ZINC000834968001 587773720 /nfs/dbraw/zinc/77/37/20/587773720.db2.gz CMLAWXFQPWZCOY-UHFFFAOYSA-N 1 0 233.271 0.811 20 30 BCEDRO C[C@H](O)CN[NH+]=C1CCCc2nc(N)ccc21 ZINC000834982593 587775997 /nfs/dbraw/zinc/77/59/97/587775997.db2.gz GOUVAWLOAVDTIH-QMMMGPOBSA-N 1 0 234.303 0.675 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1nccn1C ZINC000836216192 587828669 /nfs/dbraw/zinc/82/86/69/587828669.db2.gz IFNFZFCSPPMKQF-UHFFFAOYSA-N 1 0 234.303 0.105 20 30 BCEDRO C#CCCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000836330590 587830893 /nfs/dbraw/zinc/83/08/93/587830893.db2.gz VGHZHCBGPCOTHM-JTQLQIEISA-N 1 0 211.309 0.649 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C1([NH+](C)C)CCC1 ZINC000836843654 587839613 /nfs/dbraw/zinc/83/96/13/587839613.db2.gz HRWHVMAUDMPDLA-MNOVXSKESA-N 1 0 238.331 0.930 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1OC ZINC000836849045 587839712 /nfs/dbraw/zinc/83/97/12/587839712.db2.gz PWZVHTZLGHIYKV-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C#C[C@@H](C)N(C)S(=O)(=O)CCC[NH+](C)C ZINC000867197472 587842664 /nfs/dbraw/zinc/84/26/64/587842664.db2.gz VVFYNPYUPJUHFS-SNVBAGLBSA-N 1 0 232.349 0.221 20 30 BCEDRO N#CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867202330 587845099 /nfs/dbraw/zinc/84/50/99/587845099.db2.gz UWTBTYMCNBURRR-UHFFFAOYSA-N 1 0 245.348 0.305 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000837083407 587852782 /nfs/dbraw/zinc/85/27/82/587852782.db2.gz XVSUDYGWOOXPFB-NSHDSACASA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1CO ZINC000837087500 587852785 /nfs/dbraw/zinc/85/27/85/587852785.db2.gz CNKOUXWNWUSJDN-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(CO)C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000837172219 587857416 /nfs/dbraw/zinc/85/74/16/587857416.db2.gz LNPHFRYZXMUDOP-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)C#CC1CC1 ZINC000837416079 587870917 /nfs/dbraw/zinc/87/09/17/587870917.db2.gz MIPJYDRWXOKTQZ-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C[NH+](C)C1CN(C(=O)C#CC(C)(C)C)C1 ZINC000837502549 587878033 /nfs/dbraw/zinc/87/80/33/587878033.db2.gz MKWSAVUUOIMKOO-UHFFFAOYSA-N 1 0 208.305 0.808 20 30 BCEDRO C#Cc1ccc(C(=O)NC2CN(C(C)C)C2)cn1 ZINC000837549354 587881299 /nfs/dbraw/zinc/88/12/99/587881299.db2.gz SUMQCBRTAIZXBH-UHFFFAOYSA-N 1 0 243.310 0.885 20 30 BCEDRO C#CC[C@H](NC(=O)C[N@H+](C)C(C)C)C(=O)OC ZINC000837940867 587904646 /nfs/dbraw/zinc/90/46/46/587904646.db2.gz XUTFLGOZTNRNSB-JTQLQIEISA-N 1 0 240.303 0.008 20 30 BCEDRO C#CC[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)C(=O)OC ZINC000837945042 587904701 /nfs/dbraw/zinc/90/47/01/587904701.db2.gz WFZBOGDMFKGWLM-NXEZZACHSA-N 1 0 240.303 0.008 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=S)NCC[NH+](C)C ZINC000840801223 587922404 /nfs/dbraw/zinc/92/24/04/587922404.db2.gz JPXBDLCIUFGDOA-ZJUUUORDSA-N 1 0 243.376 0.356 20 30 BCEDRO C#Cc1ccc(C[NH2+]C[C@H]2CNC(=O)C2)cc1 ZINC000840955231 587931743 /nfs/dbraw/zinc/93/17/43/587931743.db2.gz OXNSZASJVCNVHC-ZDUSSCGKSA-N 1 0 228.295 0.894 20 30 BCEDRO C#CCNC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000841507260 587957382 /nfs/dbraw/zinc/95/73/82/587957382.db2.gz YDFHLOZJXCMSRR-SNVBAGLBSA-N 1 0 209.293 0.259 20 30 BCEDRO C[C@@H](O)CN(C)N=C1CC[N@H+](C)[C@H](C)C1 ZINC000841650231 587967243 /nfs/dbraw/zinc/96/72/43/587967243.db2.gz DYLWEUNWQBFLHT-NXEZZACHSA-N 1 0 213.325 0.769 20 30 BCEDRO CN(C)c1ccc(C=NNC2=[NH+]CCN2)cc1F ZINC000841658507 587968594 /nfs/dbraw/zinc/96/85/94/587968594.db2.gz DRDJITOSZVGIPR-UHFFFAOYSA-N 1 0 249.293 0.774 20 30 BCEDRO CCn1cccc1C=NNC1=[NH+]CCN1 ZINC000841658638 587968749 /nfs/dbraw/zinc/96/87/49/587968749.db2.gz CGINSCVWZOGHRS-UHFFFAOYSA-N 1 0 205.265 0.391 20 30 BCEDRO CCOc1cccc(C=NNC2=[NH+]CCN2)c1 ZINC000841658475 587968944 /nfs/dbraw/zinc/96/89/44/587968944.db2.gz CGRYRCDUMSTOPR-UHFFFAOYSA-N 1 0 232.287 0.968 20 30 BCEDRO COc1cccc(C=NNC2=[NH+]CCN2)c1F ZINC000841659440 587969666 /nfs/dbraw/zinc/96/96/66/587969666.db2.gz KSSVPRBJOKHRJU-UHFFFAOYSA-N 1 0 236.250 0.717 20 30 BCEDRO Nc1ccc2c(c1)CCCC2=NNC1=[NH+]CCN1 ZINC000841659772 587969830 /nfs/dbraw/zinc/96/98/30/587969830.db2.gz LTRMWXWVEGQSFV-UHFFFAOYSA-N 1 0 243.314 0.858 20 30 BCEDRO CCOc1cccc(C=NNC2=[NH+]CCN2)c1O ZINC000841662742 587970616 /nfs/dbraw/zinc/97/06/16/587970616.db2.gz QPXXUXVQGQYYCD-UHFFFAOYSA-N 1 0 248.286 0.674 20 30 BCEDRO C=C(Br)CNC(=O)NCC[NH2+]C ZINC000841746475 587973860 /nfs/dbraw/zinc/97/38/60/587973860.db2.gz ZOPUYSVZZKALKO-UHFFFAOYSA-N 1 0 236.113 0.414 20 30 BCEDRO C#CCSCCNC(=O)NCCC[NH2+]CC ZINC000841831485 587976330 /nfs/dbraw/zinc/97/63/30/587976330.db2.gz UPNKPTMCIQPZAP-UHFFFAOYSA-N 1 0 243.376 0.652 20 30 BCEDRO C#CCSCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000841830111 587976545 /nfs/dbraw/zinc/97/65/45/587976545.db2.gz FFEUCTXQWYZDNH-SNVBAGLBSA-N 1 0 241.360 0.486 20 30 BCEDRO C#CCSCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000841832257 587976632 /nfs/dbraw/zinc/97/66/32/587976632.db2.gz LJXHWEKBKZMRPM-SNVBAGLBSA-N 1 0 241.360 0.486 20 30 BCEDRO C#CCSCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000841832919 587976788 /nfs/dbraw/zinc/97/67/88/587976788.db2.gz XTDKEXNRRWJFRF-VIFPVBQESA-N 1 0 229.349 0.389 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1COC(C)(C)C1 ZINC000841858942 587978830 /nfs/dbraw/zinc/97/88/30/587978830.db2.gz GNLFCHOPAZBTCR-SNVBAGLBSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCCCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000841884709 587979244 /nfs/dbraw/zinc/97/92/44/587979244.db2.gz FKMRLTDZDQSSMN-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCOCCNC(=O)NCCC[NH2+]C1CC1 ZINC000841875695 587979884 /nfs/dbraw/zinc/97/98/84/587979884.db2.gz PLPACJGZXQTOLQ-UHFFFAOYSA-N 1 0 239.319 0.078 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H]([NH3+])CC)[C@@H]1CCCO1 ZINC000841879184 587980005 /nfs/dbraw/zinc/98/00/05/587980005.db2.gz LJANVDYCYJXTHW-VWYCJHECSA-N 1 0 239.319 0.204 20 30 BCEDRO C#C[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1CCCO1 ZINC000841881438 587980169 /nfs/dbraw/zinc/98/01/69/587980169.db2.gz RCESMIUQUCGEDK-NXEZZACHSA-N 1 0 239.319 0.204 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H](C)CC[NH3+])[C@@H]1CCCO1 ZINC000841882161 587980345 /nfs/dbraw/zinc/98/03/45/587980345.db2.gz WXZBYWUVNLBCOL-DCAQKATOSA-N 1 0 239.319 0.204 20 30 BCEDRO C#CC[C@H](Cc1ccccc1)NC(=O)NCC[NH3+] ZINC000841901093 587982680 /nfs/dbraw/zinc/98/26/80/587982680.db2.gz FJSRQEHBCWDPON-CYBMUJFWSA-N 1 0 245.326 0.879 20 30 BCEDRO C=CCONC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000841913173 587984673 /nfs/dbraw/zinc/98/46/73/587984673.db2.gz KBMJNVQQROHWOE-LLVKDONJSA-N 1 0 227.308 0.793 20 30 BCEDRO C=CCONC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000841913103 587984675 /nfs/dbraw/zinc/98/46/75/587984675.db2.gz IJUBIVRNYZMUBQ-HBNTYKKESA-N 1 0 239.319 0.873 20 30 BCEDRO C=CCONC(=O)NCCC[NH2+]CC ZINC000841913421 587984763 /nfs/dbraw/zinc/98/47/63/587984763.db2.gz NDEVUIBIZNKYKL-UHFFFAOYSA-N 1 0 201.270 0.403 20 30 BCEDRO C=CCONC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841913140 587984930 /nfs/dbraw/zinc/98/49/30/587984930.db2.gz IZVVBELWPKZZDE-SECBINFHSA-N 1 0 213.281 0.545 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000841912999 587984991 /nfs/dbraw/zinc/98/49/91/587984991.db2.gz FQNQTDMETPHFNK-VHSXEESVSA-N 1 0 227.308 0.921 20 30 BCEDRO C=CCONC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000841913784 587985000 /nfs/dbraw/zinc/98/50/00/587985000.db2.gz TZVCAKIKYMRNBQ-NSHDSACASA-N 1 0 243.307 0.172 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841922693 587985325 /nfs/dbraw/zinc/98/53/25/587985325.db2.gz RMCXWOSAUCFZMD-VHSXEESVSA-N 1 0 209.293 0.449 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841918906 587985564 /nfs/dbraw/zinc/98/55/64/587985564.db2.gz BYEVOZJRUOCRPZ-CYBMUJFWSA-N 1 0 247.342 0.797 20 30 BCEDRO C#C[C@H](C)NC(=O)NCCC[NH2+]C(C)C ZINC000841934543 587985760 /nfs/dbraw/zinc/98/57/60/587985760.db2.gz ZOLZFSIUOCMYQT-JTQLQIEISA-N 1 0 211.309 0.695 20 30 BCEDRO C#CCCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000841951323 587986620 /nfs/dbraw/zinc/98/66/20/587986620.db2.gz MXPAPHFDTHGGAZ-JTQLQIEISA-N 1 0 211.309 0.682 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@H](C)C[NH3+] ZINC000841962922 587986872 /nfs/dbraw/zinc/98/68/72/587986872.db2.gz MTHDJQFCXXDUQQ-ZCFIWIBFSA-N 1 0 205.689 0.633 20 30 BCEDRO C#CCN(C(=O)NC[C@@H](C)[NH3+])C1CCCC1 ZINC000841986177 587987953 /nfs/dbraw/zinc/98/79/53/587987953.db2.gz SCQXCYPVIYOEGA-SNVBAGLBSA-N 1 0 223.320 0.921 20 30 BCEDRO C#CC[C@@H]1NC(=O)N(CC[N@@H+](C)C2CC2)C1=O ZINC000842238136 588007878 /nfs/dbraw/zinc/00/78/78/588007878.db2.gz ISEUZWJUAQMYOP-JTQLQIEISA-N 1 0 235.287 0.024 20 30 BCEDRO C#CC[C@@H]1NC(=O)N(CC[N@@H+](CC)C2CC2)C1=O ZINC000842240178 588008355 /nfs/dbraw/zinc/00/83/55/588008355.db2.gz NQSJMTOHNMCMDM-NSHDSACASA-N 1 0 249.314 0.414 20 30 BCEDRO C#CC[C@@H]1NC(=O)N(C[C@@H](C)[N@H+](C)C2CC2)C1=O ZINC000842240632 588008466 /nfs/dbraw/zinc/00/84/66/588008466.db2.gz UDEDCDAVFSJAKS-KOLCDFICSA-N 1 0 249.314 0.413 20 30 BCEDRO C#CCC(CC#C)C(=O)NCC1([NH+](C)C)CC1 ZINC000842272262 588010461 /nfs/dbraw/zinc/01/04/61/588010461.db2.gz VSXYVYRGDSGEGT-UHFFFAOYSA-N 1 0 232.327 0.860 20 30 BCEDRO Cn1ncnc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000842529090 588033597 /nfs/dbraw/zinc/03/35/97/588033597.db2.gz OIXPUTCXAZEZCH-RKDXNWHRSA-N 1 0 247.306 0.009 20 30 BCEDRO C[C@H](CO)N(C)N=C1CCC[N@H+](C)CC1 ZINC000842542529 588038799 /nfs/dbraw/zinc/03/87/99/588038799.db2.gz RMUISMRRNBDSAA-SNVBAGLBSA-N 1 0 213.325 0.771 20 30 BCEDRO C#CCOCCc1nc(C2([NH3+])CCCC2)no1 ZINC000842590609 588044970 /nfs/dbraw/zinc/04/49/70/588044970.db2.gz RXABSVBCJJSHIB-UHFFFAOYSA-N 1 0 235.287 0.990 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)CC(C)C ZINC000843067613 588078649 /nfs/dbraw/zinc/07/86/49/588078649.db2.gz BLRKCLNKFMKELB-LLVKDONJSA-N 1 0 226.320 0.123 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)C[C@@H](C)CC ZINC000843074110 588079407 /nfs/dbraw/zinc/07/94/07/588079407.db2.gz BZHOECZHAMPUOD-NWDGAFQWSA-N 1 0 240.347 0.513 20 30 BCEDRO C=CCCn1cc(-c2nc(CC[NH3+])no2)nn1 ZINC000843132443 588085653 /nfs/dbraw/zinc/08/56/53/588085653.db2.gz YPDYEOBUQAYYDA-UHFFFAOYSA-N 1 0 234.263 0.405 20 30 BCEDRO C#C[C@@](C)(CC)NS(=O)(=O)CCC[NH+](C)C ZINC000867321950 588093132 /nfs/dbraw/zinc/09/31/32/588093132.db2.gz BHFWIQYNURWTNR-NSHDSACASA-N 1 0 246.376 0.659 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccccc1N ZINC000843459005 588112092 /nfs/dbraw/zinc/11/20/92/588112092.db2.gz BGOZNTIJOGLEFG-GZMMTYOYSA-N 1 0 230.271 0.110 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccccc1N ZINC000843459010 588112124 /nfs/dbraw/zinc/11/21/24/588112124.db2.gz BGOZNTIJOGLEFG-LDYMZIIASA-N 1 0 230.271 0.110 20 30 BCEDRO C=CCN(C(=O)CO[C@H]1CCC[NH2+]C1)C1CC1 ZINC000843495647 588115439 /nfs/dbraw/zinc/11/54/39/588115439.db2.gz VFROGOJYJFNOFQ-LBPRGKRZSA-N 1 0 238.331 0.932 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](CC)C(=O)OC ZINC000844022353 588156502 /nfs/dbraw/zinc/15/65/02/588156502.db2.gz BWGWGHBHOXEAAW-SNVBAGLBSA-N 1 0 242.319 0.420 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000844098428 588167267 /nfs/dbraw/zinc/16/72/67/588167267.db2.gz BJRVPMYRUKBJNH-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000844098430 588167319 /nfs/dbraw/zinc/16/73/19/588167319.db2.gz BJRVPMYRUKBJNH-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1CC=CC1 ZINC000844194997 588173478 /nfs/dbraw/zinc/17/34/78/588173478.db2.gz OPWQUPBVFZTAMA-VHSXEESVSA-N 1 0 205.261 0.180 20 30 BCEDRO C#CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000844272946 588178805 /nfs/dbraw/zinc/17/88/05/588178805.db2.gz PYDIZBCUXPRGGX-UHFFFAOYSA-N 1 0 209.293 0.309 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@@H]1CCCO1 ZINC000844321684 588184488 /nfs/dbraw/zinc/18/44/88/588184488.db2.gz GZDCYFFJKXPBHU-AXFHLTTASA-N 1 0 222.288 0.035 20 30 BCEDRO C#C[C@H]1COCCN1C[C@H]1CCC[N@H+]1C ZINC000844335052 588185935 /nfs/dbraw/zinc/18/59/35/588185935.db2.gz ITQDBTUEUHYWDM-NWDGAFQWSA-N 1 0 208.305 0.415 20 30 BCEDRO C#CC1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000844347412 588186416 /nfs/dbraw/zinc/18/64/16/588186416.db2.gz OYRYQMOKTGLDLZ-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CO)[C@H](C)CCC ZINC000844381006 588186803 /nfs/dbraw/zinc/18/68/03/588186803.db2.gz ZRHVAPNTBYQHAC-MNOVXSKESA-N 1 0 226.320 0.123 20 30 BCEDRO CC[N@H+](CC(=O)NCCC#N)[C@@H]1CCCOC1 ZINC000844404250 588190232 /nfs/dbraw/zinc/19/02/32/588190232.db2.gz LYLBAZWVYBFLEA-LLVKDONJSA-N 1 0 239.319 0.517 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844467447 588197608 /nfs/dbraw/zinc/19/76/08/588197608.db2.gz KXBRHUKEJWNQJE-SNVBAGLBSA-N 1 0 228.242 0.467 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844469090 588198271 /nfs/dbraw/zinc/19/82/71/588198271.db2.gz VKBMAZFZOIDXAP-LLVKDONJSA-N 1 0 242.269 0.857 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc(O)cc2F)N1 ZINC000844589941 588206092 /nfs/dbraw/zinc/20/60/92/588206092.db2.gz LZYSSCYECAPKBX-ZETCQYMHSA-N 1 0 236.250 0.803 20 30 BCEDRO C=C(C)CONC(=O)N(C)CC[NH+](C)C ZINC000845602060 588235351 /nfs/dbraw/zinc/23/53/51/588235351.db2.gz GSEFPXXJXQBKIX-UHFFFAOYSA-N 1 0 215.297 0.697 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NCCOCC[NH+](C)C ZINC000845624067 588237565 /nfs/dbraw/zinc/23/75/65/588237565.db2.gz RDLKQEZEUHSFLP-SNVBAGLBSA-N 1 0 245.323 0.370 20 30 BCEDRO C#CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000846188268 588258582 /nfs/dbraw/zinc/25/85/82/588258582.db2.gz HWMXVSNYSLZZAZ-UHFFFAOYSA-N 1 0 209.293 0.438 20 30 BCEDRO N#CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000846161925 588258951 /nfs/dbraw/zinc/25/89/51/588258951.db2.gz HNUCJOOAJKEACW-UHFFFAOYSA-N 1 0 210.281 0.328 20 30 BCEDRO C#CC(=O)N(C)CCC[N@H+](C)Cc1ccncc1 ZINC000846173471 588259210 /nfs/dbraw/zinc/25/92/10/588259210.db2.gz SFAGQOTZIPZRMC-UHFFFAOYSA-N 1 0 245.326 0.995 20 30 BCEDRO C=CCONC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000846172866 588259304 /nfs/dbraw/zinc/25/93/04/588259304.db2.gz PGLJGNRVGOQORA-NXEZZACHSA-N 1 0 243.307 0.109 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCCC1CC[NH2+]CC1 ZINC000846212154 588260450 /nfs/dbraw/zinc/26/04/50/588260450.db2.gz AWIJEHFTXDAEJA-SNVBAGLBSA-N 1 0 223.320 0.697 20 30 BCEDRO C#CCN(C)C(=O)NCCC1CC[NH2+]CC1 ZINC000846214940 588260580 /nfs/dbraw/zinc/26/05/80/588260580.db2.gz OONRNKDODAWMEW-UHFFFAOYSA-N 1 0 223.320 0.651 20 30 BCEDRO CON=CC(=O)NCCC[N@H+](C)CC(C)C ZINC000846292175 588263946 /nfs/dbraw/zinc/26/39/46/588263946.db2.gz OYZNPHXUQKIJPK-UHFFFAOYSA-N 1 0 229.324 0.713 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CCF)C(=O)OC ZINC000846423633 588265723 /nfs/dbraw/zinc/26/57/23/588265723.db2.gz COGSMDBCUCZJEB-SECBINFHSA-N 1 0 246.282 0.122 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000846676335 588282007 /nfs/dbraw/zinc/28/20/07/588282007.db2.gz CRVYPBRFPVBNRG-KXNHARMFSA-N 1 0 233.315 0.650 20 30 BCEDRO C=C1CCN(C(=O)[C@]2(F)CC[NH2+]C2)CC1 ZINC000846684318 588282462 /nfs/dbraw/zinc/28/24/62/588282462.db2.gz PYQXTTPFGZHHCP-NSHDSACASA-N 1 0 212.268 0.867 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H]1CN(CC)C(=O)O1 ZINC000846812381 588290937 /nfs/dbraw/zinc/29/09/37/588290937.db2.gz VJJJPNZPUWGZMW-JTQLQIEISA-N 1 0 210.277 0.782 20 30 BCEDRO C#C[C@H]([NH2+]CC[C@@H]1CCNC1=O)[C@@H]1CCCO1 ZINC000846856879 588293611 /nfs/dbraw/zinc/29/36/11/588293611.db2.gz DRGFJUQOFLAQCG-WOPDTQHZSA-N 1 0 236.315 0.283 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCN1CCOC1=O ZINC000846993473 588300770 /nfs/dbraw/zinc/30/07/70/588300770.db2.gz NLPCKZHFJORWDT-VIFPVBQESA-N 1 0 211.265 0.720 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000847022506 588303354 /nfs/dbraw/zinc/30/33/54/588303354.db2.gz HXFCVKSFNNOOLN-NSHDSACASA-N 1 0 249.314 0.274 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000847024968 588303836 /nfs/dbraw/zinc/30/38/36/588303836.db2.gz AWGCUHZGNVQBIF-JTQLQIEISA-N 1 0 206.289 0.610 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000847038291 588304633 /nfs/dbraw/zinc/30/46/33/588304633.db2.gz XJLUWVBVZUDVCZ-MNOVXSKESA-N 1 0 206.289 0.610 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847412455 588312572 /nfs/dbraw/zinc/31/25/72/588312572.db2.gz QYUGPFVWZLYTAZ-MXWKQRLJSA-N 1 0 223.320 0.648 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847411899 588312955 /nfs/dbraw/zinc/31/29/55/588312955.db2.gz PLECCKVGZQPKHD-SDDRHHMPSA-N 1 0 237.347 0.990 20 30 BCEDRO C[C@@H]1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)=NO1 ZINC000847623676 588319199 /nfs/dbraw/zinc/31/91/99/588319199.db2.gz DPUQDXBWZSFHKZ-DTWKUNHWSA-N 1 0 225.292 0.567 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@H](C)c1ncc[nH]1 ZINC000848387116 588375753 /nfs/dbraw/zinc/37/57/53/588375753.db2.gz JKFKNNKOMZXPEP-MNOVXSKESA-N 1 0 246.314 0.685 20 30 BCEDRO C[C@@H](CO)NN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848406558 588378525 /nfs/dbraw/zinc/37/85/25/588378525.db2.gz GYXSJODRYYYUIH-CMPLNLGQSA-N 1 0 225.336 0.961 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cncnc1C ZINC000848408706 588378983 /nfs/dbraw/zinc/37/89/83/588378983.db2.gz WSKHCGYYXJKTJK-ZETCQYMHSA-N 1 0 232.291 0.446 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cc3n(n2)CCCC3)N1 ZINC000848408764 588379176 /nfs/dbraw/zinc/37/91/76/588379176.db2.gz ZCACPXMJQZHWNH-VIFPVBQESA-N 1 0 246.318 0.491 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1cncnc1C ZINC000848411663 588380678 /nfs/dbraw/zinc/38/06/78/588380678.db2.gz BEQJCKDVKPJGGA-UHFFFAOYSA-N 1 0 218.264 0.058 20 30 BCEDRO C#CCSCCNc1ncnc(N)c1OC ZINC000848666193 588404600 /nfs/dbraw/zinc/40/46/00/588404600.db2.gz ZGAAPQHXWFDUQC-UHFFFAOYSA-N 1 0 238.316 0.846 20 30 BCEDRO CN(C)C(=[NH+]C[C@H](O)C(F)(F)F)N(C)C ZINC000848985078 588425361 /nfs/dbraw/zinc/42/53/61/588425361.db2.gz GBIWSZXLUPDEGH-LURJTMIESA-N 1 0 227.230 0.389 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](O)c1ccco1 ZINC000848989617 588426708 /nfs/dbraw/zinc/42/67/08/588426708.db2.gz LABKKCJYLGMXOQ-MRVPVSSYSA-N 1 0 209.249 0.613 20 30 BCEDRO CN(C)C(=[NH2+])NCCNc1ccc(C#N)cn1 ZINC000848991455 588427586 /nfs/dbraw/zinc/42/75/86/588427586.db2.gz GHKCKFHKRZFOIV-UHFFFAOYSA-N 1 0 232.291 0.451 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nncn1CC ZINC000848992360 588427764 /nfs/dbraw/zinc/42/77/64/588427764.db2.gz QNXJHVLWYCULFF-UHFFFAOYSA-N 1 0 208.269 0.098 20 30 BCEDRO CNC(NCc1ccc([S@@](C)=O)cc1)=[NH+]C ZINC000848993226 588427841 /nfs/dbraw/zinc/42/78/41/588427841.db2.gz LCUGUEJUQLYTOI-MRXNPFEDSA-N 1 0 239.344 0.719 20 30 BCEDRO CNC(NC[C@H](O)C1CCCCC1)=[NH+]C ZINC000848993654 588428226 /nfs/dbraw/zinc/42/82/26/588428226.db2.gz APWDSOUZJUOYJP-JTQLQIEISA-N 1 0 213.325 0.722 20 30 BCEDRO C[NH+]=C(NCCN(C)C1CC1)NC1CC1 ZINC000848997685 588429838 /nfs/dbraw/zinc/42/98/38/588429838.db2.gz YJIVNLFTFKPQFJ-UHFFFAOYSA-N 1 0 210.325 0.408 20 30 BCEDRO C[NH+]=C(NCC1(O)CCCC1)NC1CC1 ZINC000848999297 588430334 /nfs/dbraw/zinc/43/03/34/588430334.db2.gz RWLCFKKHRUKLDO-UHFFFAOYSA-N 1 0 211.309 0.619 20 30 BCEDRO CCNC(NCC(=O)NC1CCCC1)=[NH+]CC ZINC000848999679 588430521 /nfs/dbraw/zinc/43/05/21/588430521.db2.gz CRBVZGQBJLDDKA-UHFFFAOYSA-N 1 0 240.351 0.620 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](O)COCC1CC1 ZINC000849000530 588430982 /nfs/dbraw/zinc/43/09/82/588430982.db2.gz YZPOIMULZMWDEE-SNVBAGLBSA-N 1 0 227.308 0.074 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCCCC#N ZINC000849003170 588431141 /nfs/dbraw/zinc/43/11/41/588431141.db2.gz QBMZEONJBYCTJL-VIFPVBQESA-N 1 0 212.297 0.829 20 30 BCEDRO N#CCCCCNC(=[NH2+])N1CCOCC1 ZINC000849003096 588431412 /nfs/dbraw/zinc/43/14/12/588431412.db2.gz CWOAWWYFQSOODC-UHFFFAOYSA-N 1 0 210.281 0.537 20 30 BCEDRO C[C@H](C#N)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849003829 588431459 /nfs/dbraw/zinc/43/14/59/588431459.db2.gz JBJVYPGZCJQXCN-BDAKNGLRSA-N 1 0 210.281 0.439 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCOC[C@H]2CCCO2)N1 ZINC000849005256 588432237 /nfs/dbraw/zinc/43/22/37/588432237.db2.gz IKYTWENSZQOGKU-NXEZZACHSA-N 1 0 227.308 0.119 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N1 ZINC000849008740 588434018 /nfs/dbraw/zinc/43/40/18/588434018.db2.gz PMGOGDAMAYRXGU-QMMMGPOBSA-N 1 0 247.364 0.137 20 30 BCEDRO C#CCCCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849011114 588435126 /nfs/dbraw/zinc/43/51/26/588435126.db2.gz SOBSRKYTYSYZDQ-SNVBAGLBSA-N 1 0 209.293 0.645 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCO[C@@H]2CCOC2)N1 ZINC000849012574 588435554 /nfs/dbraw/zinc/43/55/54/588435554.db2.gz ABZGQPFWLLYVOY-NXEZZACHSA-N 1 0 227.308 0.119 20 30 BCEDRO CC(C)C(=O)NCCCNC1=[NH+]CCCN1C ZINC000849014747 588436290 /nfs/dbraw/zinc/43/62/90/588436290.db2.gz AVAHAYWNVZRZQS-UHFFFAOYSA-N 1 0 240.351 0.430 20 30 BCEDRO CN(C)C(=[NH+]Cc1noc(C2CC2)n1)N(C)C ZINC000849014499 588436458 /nfs/dbraw/zinc/43/64/58/588436458.db2.gz KKUREPFKQFRHKK-UHFFFAOYSA-N 1 0 237.307 0.926 20 30 BCEDRO C=CC[C@H](CO)CNC(NCC)=[NH+]CC ZINC000849015643 588436549 /nfs/dbraw/zinc/43/65/49/588436549.db2.gz HWCWEVUTRYHZFI-JTQLQIEISA-N 1 0 213.325 0.746 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])N[C@H](C)COC ZINC000849015626 588436566 /nfs/dbraw/zinc/43/65/66/588436566.db2.gz FYFIFMFQHHXVPM-NXEZZACHSA-N 1 0 229.324 0.320 20 30 BCEDRO C=CC[C@H](CO)C[NH+]=C(N(C)C)N(C)C ZINC000849015987 588436950 /nfs/dbraw/zinc/43/69/50/588436950.db2.gz MMUCOVJATAMTTR-JTQLQIEISA-N 1 0 213.325 0.650 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])N(C)C1CC1 ZINC000849016149 588436989 /nfs/dbraw/zinc/43/69/89/588436989.db2.gz PRMNLNITJPLQJP-SECBINFHSA-N 1 0 211.309 0.790 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NC1CCC1 ZINC000849017477 588437431 /nfs/dbraw/zinc/43/74/31/588437431.db2.gz KCZOIPGELNWKCE-UHFFFAOYSA-N 1 0 245.348 0.254 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCCCC#N)CCO1 ZINC000849017632 588437637 /nfs/dbraw/zinc/43/76/37/588437637.db2.gz YQVPIRKNBYQSRE-VIFPVBQESA-N 1 0 210.281 0.535 20 30 BCEDRO C#CCOCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000849017816 588437682 /nfs/dbraw/zinc/43/76/82/588437682.db2.gz IXANVSCCRYXIJQ-LLVKDONJSA-N 1 0 223.320 0.892 20 30 BCEDRO CNC(NCC[C@@H]1CCO[C@H](C)C1)=[NH+]C ZINC000849018225 588437903 /nfs/dbraw/zinc/43/79/03/588437903.db2.gz XOOYRQIMQDPGGK-NXEZZACHSA-N 1 0 213.325 0.986 20 30 BCEDRO CNC(NC[C@H](c1ccnn1C)C(C)C)=[NH+]C ZINC000849021621 588439166 /nfs/dbraw/zinc/43/91/66/588439166.db2.gz PKHGXEQPTAPSDD-JTQLQIEISA-N 1 0 237.351 0.955 20 30 BCEDRO CCOC(CCNC1=[NH+]C[C@H](C)N1)OCC ZINC000849021907 588439336 /nfs/dbraw/zinc/43/93/36/588439336.db2.gz XNYRCWIHEFTVEP-VIFPVBQESA-N 1 0 229.324 0.713 20 30 BCEDRO N#CC1(CNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000849025889 588440475 /nfs/dbraw/zinc/44/04/75/588440475.db2.gz KQYLNBVTFVSZNK-SECBINFHSA-N 1 0 222.292 0.583 20 30 BCEDRO CCNC(NCCC1(O)CCOCC1)=[NH+]CC ZINC000849025866 588440593 /nfs/dbraw/zinc/44/05/93/588440593.db2.gz IVLXXIKAAMUCLY-UHFFFAOYSA-N 1 0 243.351 0.493 20 30 BCEDRO CC(C)S(=O)(=O)CC[NH+]=C(N(C)C)N(C)C ZINC000849028324 588441488 /nfs/dbraw/zinc/44/14/88/588441488.db2.gz QLHOFCXCLWONGU-UHFFFAOYSA-N 1 0 249.380 0.289 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](CO)C(C)C ZINC000849028503 588441502 /nfs/dbraw/zinc/44/15/02/588441502.db2.gz LGLGUQLHEBEJFN-JTQLQIEISA-N 1 0 213.325 0.941 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](CO)c1cccnc1 ZINC000849028873 588441943 /nfs/dbraw/zinc/44/19/43/588441943.db2.gz KKBYROUZIAHPQE-LLVKDONJSA-N 1 0 234.303 0.457 20 30 BCEDRO CNC(NC[C@@H](O)Cc1cccc(F)c1)=[NH+]C ZINC000849032849 588443323 /nfs/dbraw/zinc/44/33/23/588443323.db2.gz YGUQBEDZNPRZQX-NSHDSACASA-N 1 0 239.294 0.524 20 30 BCEDRO CNC(NCc1ncn(-c2ccccc2)n1)=[NH+]C ZINC000849032479 588443461 /nfs/dbraw/zinc/44/34/61/588443461.db2.gz KMUBKLWDTPNNDS-UHFFFAOYSA-N 1 0 244.302 0.562 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC[C@@](C)(O)COC ZINC000849034064 588444187 /nfs/dbraw/zinc/44/41/87/588444187.db2.gz JYQBSCJXRUIHTJ-LLVKDONJSA-N 1 0 229.324 0.464 20 30 BCEDRO CN(C)C(=[NH+]CCC1(CO)CC1)N(C)C ZINC000849037357 588446099 /nfs/dbraw/zinc/44/60/99/588446099.db2.gz BRPGKEKYTNELSA-UHFFFAOYSA-N 1 0 213.325 0.628 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccn(CC)n1 ZINC000849041334 588448051 /nfs/dbraw/zinc/44/80/51/588448051.db2.gz BOYRHWSCXJIGAO-UHFFFAOYSA-N 1 0 207.281 0.703 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1nc2ncccn2n1 ZINC000849042469 588448407 /nfs/dbraw/zinc/44/84/07/588448407.db2.gz PBBYTRLZEOZXTM-UHFFFAOYSA-N 1 0 245.290 0.314 20 30 BCEDRO CNC(NCC(C)(C)C1(O)CCOCC1)=[NH+]C ZINC000849043045 588448844 /nfs/dbraw/zinc/44/88/44/588448844.db2.gz DRVKEDLDQKVGKB-UHFFFAOYSA-N 1 0 243.351 0.349 20 30 BCEDRO CCCN1C[C@@H](CNC(NC)=[NH+]C)CC1=O ZINC000849044056 588449248 /nfs/dbraw/zinc/44/92/48/588449248.db2.gz RPDBDADFCQAEGQ-SECBINFHSA-N 1 0 226.324 0.040 20 30 BCEDRO CN1CC[NH+]=C1NCCCC1(O)CCC1 ZINC000849043855 588449308 /nfs/dbraw/zinc/44/93/08/588449308.db2.gz JRDYOAMGBFIRCB-UHFFFAOYSA-N 1 0 211.309 0.573 20 30 BCEDRO CCNC(NC[C@@H](CC)C(=O)OC)=[NH+]CC ZINC000849046937 588450205 /nfs/dbraw/zinc/45/02/05/588450205.db2.gz ZDGWNUVIYJRDQG-SECBINFHSA-N 1 0 229.324 0.761 20 30 BCEDRO CC[C@@H](CNC(NC1CC1)=[NH+]C)C(=O)OC ZINC000849047025 588450355 /nfs/dbraw/zinc/45/03/55/588450355.db2.gz ZZRVYUYJLRIROL-QMMMGPOBSA-N 1 0 227.308 0.513 20 30 BCEDRO COCCNC(=[NH2+])NCC1(C#N)CCCC1 ZINC000849047464 588450616 /nfs/dbraw/zinc/45/06/16/588450616.db2.gz XIXMTCLKURRRAH-UHFFFAOYSA-N 1 0 224.308 0.831 20 30 BCEDRO CN(C)C(=[NH+]CC[C@]1(O)CCOC1)N(C)C ZINC000849047548 588450813 /nfs/dbraw/zinc/45/08/13/588450813.db2.gz NBONPETTZQXLDB-NSHDSACASA-N 1 0 229.324 0.007 20 30 BCEDRO C[NH+]=C(NCC[C@@]1(O)CCCOC1)NC1CC1 ZINC000849048581 588450995 /nfs/dbraw/zinc/45/09/95/588450995.db2.gz JCQDAMHMENKSRP-LBPRGKRZSA-N 1 0 241.335 0.245 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCC2(CO)CCC2)N1 ZINC000849050051 588451964 /nfs/dbraw/zinc/45/19/64/588451964.db2.gz XNUQCHWLYPBOEH-SECBINFHSA-N 1 0 211.309 0.476 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ncccc1O ZINC000849093059 588452807 /nfs/dbraw/zinc/45/28/07/588452807.db2.gz HBWOOGWYELOHIS-UHFFFAOYSA-N 1 0 206.249 0.587 20 30 BCEDRO C=C[C@@](C)(O)c1cn(CC(C)(C)C[NH3+])nn1 ZINC000849150776 588456382 /nfs/dbraw/zinc/45/63/82/588456382.db2.gz PLJZSJIGVRUOSS-LLVKDONJSA-N 1 0 224.308 0.657 20 30 BCEDRO C=C[C@@](C)(O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000849155908 588456808 /nfs/dbraw/zinc/45/68/08/588456808.db2.gz QTVCCXUZFRRRBB-WCBMZHEXSA-N 1 0 208.265 0.206 20 30 BCEDRO CNC(NCCc1cncc(C)n1)=[NH+]C ZINC000849215152 588461748 /nfs/dbraw/zinc/46/17/48/588461748.db2.gz QRYMOLXINZIGOE-UHFFFAOYSA-N 1 0 207.281 0.122 20 30 BCEDRO CNC(NCc1c(C2CCC2)cnn1C)=[NH+]C ZINC000849214988 588461822 /nfs/dbraw/zinc/46/18/22/588461822.db2.gz HJYULWCGZSAZBT-UHFFFAOYSA-N 1 0 235.335 0.982 20 30 BCEDRO CNC(NC[C@H](C)c1ccncc1)=[NH+]C ZINC000849214551 588461824 /nfs/dbraw/zinc/46/18/24/588461824.db2.gz PFDBLBYWDPKCCR-VIFPVBQESA-N 1 0 206.293 0.980 20 30 BCEDRO CNC(NCCCN1CCCCC1=O)=[NH+]C ZINC000849214611 588461889 /nfs/dbraw/zinc/46/18/89/588461889.db2.gz WRVWYQLITHMDIK-UHFFFAOYSA-N 1 0 226.324 0.184 20 30 BCEDRO CNC(NC[C@](C)(O)CCC(C)C)=[NH+]C ZINC000849214488 588462056 /nfs/dbraw/zinc/46/20/56/588462056.db2.gz DRSFBPOTDSBLHI-LLVKDONJSA-N 1 0 215.341 0.968 20 30 BCEDRO CCNC(NC[C@H](O)C1CCOCC1)=[NH+]CC ZINC000849214522 588462079 /nfs/dbraw/zinc/46/20/79/588462079.db2.gz JULFZWWSDOGIHQ-NSHDSACASA-N 1 0 243.351 0.349 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000849273569 588468654 /nfs/dbraw/zinc/46/86/54/588468654.db2.gz JMWRXINNEPLXGA-SNVBAGLBSA-N 1 0 239.388 0.957 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1cnccc1C ZINC000849328191 588472891 /nfs/dbraw/zinc/47/28/91/588472891.db2.gz IKQSJQLYWFQRIJ-UHFFFAOYSA-N 1 0 245.326 0.662 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108536569 588475905 /nfs/dbraw/zinc/47/59/05/588475905.db2.gz DQXBXWWTMHZPLS-LLVKDONJSA-N 1 0 221.304 0.403 20 30 BCEDRO C#CCCCS(=O)(=O)N(C)Cc1c[nH]cn1 ZINC000849406719 588476907 /nfs/dbraw/zinc/47/69/07/588476907.db2.gz AYTFQEACXYUDNN-UHFFFAOYSA-N 1 0 241.316 0.585 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1CCCn2nccc21 ZINC000850460386 588548000 /nfs/dbraw/zinc/54/80/00/588548000.db2.gz ZNKWFXVWDHTVLT-LLVKDONJSA-N 1 0 219.288 0.957 20 30 BCEDRO COC(=O)N(C)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000850548340 588559524 /nfs/dbraw/zinc/55/95/24/588559524.db2.gz OONNJMDFFOYMMO-ZJUUUORDSA-N 1 0 225.292 0.966 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C)C[NH2+]C)[C@@H]1CCCO1 ZINC000851659873 588613401 /nfs/dbraw/zinc/61/34/01/588613401.db2.gz WRMAXEIDLRXTGT-VWYCJHECSA-N 1 0 239.319 0.074 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H](C)C[NH2+]C)C(C)C ZINC000851660924 588613683 /nfs/dbraw/zinc/61/36/83/588613683.db2.gz BOPRNUJLBGTKFL-UWVGGRQHSA-N 1 0 211.309 0.551 20 30 BCEDRO C=CCONC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851661395 588613692 /nfs/dbraw/zinc/61/36/92/588613692.db2.gz JNUBXQWNPGXDGK-UHFFFAOYSA-N 1 0 211.265 0.155 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)NCCc1ccc(C#N)cc1 ZINC000851663411 588613918 /nfs/dbraw/zinc/61/39/18/588613918.db2.gz COEQPGPJDGXQPN-JTQLQIEISA-N 1 0 246.314 0.747 20 30 BCEDRO C=CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000851669000 588614158 /nfs/dbraw/zinc/61/41/58/588614158.db2.gz VBVLOBWIADJLPZ-MRVPVSSYSA-N 1 0 233.262 0.859 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC1([NH3+])CCCC1 ZINC000851670978 588614413 /nfs/dbraw/zinc/61/44/13/588614413.db2.gz CTYVISMBFGJMDV-VIFPVBQESA-N 1 0 209.293 0.579 20 30 BCEDRO C#CCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851678218 588614436 /nfs/dbraw/zinc/61/44/36/588614436.db2.gz RJPFSKYCHRXFAA-SNVBAGLBSA-N 1 0 211.309 0.682 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676151 588614503 /nfs/dbraw/zinc/61/45/03/588614503.db2.gz FPIXIEQHLJDANV-FKTRJACZSA-N 1 0 207.277 0.059 20 30 BCEDRO C=C(Cl)CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676893 588614576 /nfs/dbraw/zinc/61/45/76/588614576.db2.gz KKJKNUKRSFZZKK-UHFFFAOYSA-N 1 0 229.711 0.790 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](C(=O)OCC)C1 ZINC000851713200 588615934 /nfs/dbraw/zinc/61/59/34/588615934.db2.gz CDCDSEGJDIXOIL-GFCCVEGCSA-N 1 0 239.315 0.911 20 30 BCEDRO C#CCOCC[N@@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000851748076 588622241 /nfs/dbraw/zinc/62/22/41/588622241.db2.gz ZVHUSXCKBWNZDR-LLVKDONJSA-N 1 0 239.315 0.910 20 30 BCEDRO C#CCOCCN1CCC[C@H]([NH+](C)C)C1 ZINC000851748474 588622664 /nfs/dbraw/zinc/62/26/64/588622664.db2.gz RIRWCUOGYJDOLG-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCOCC[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000851749670 588622862 /nfs/dbraw/zinc/62/28/62/588622862.db2.gz JRQBCSLYTPVFTI-LBPRGKRZSA-N 1 0 239.315 0.721 20 30 BCEDRO C#CCOCCN1CCC[C@@H]([NH+](C)C)C1 ZINC000851748473 588622874 /nfs/dbraw/zinc/62/28/74/588622874.db2.gz RIRWCUOGYJDOLG-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000851751458 588623103 /nfs/dbraw/zinc/62/31/03/588623103.db2.gz NRDNQOKXXRVYRT-GHMZBOCLSA-N 1 0 224.304 0.222 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000851751459 588623253 /nfs/dbraw/zinc/62/32/53/588623253.db2.gz NRDNQOKXXRVYRT-MNOVXSKESA-N 1 0 224.304 0.222 20 30 BCEDRO C#CCOCC[NH+]1CCC([C@H](C)O)CC1 ZINC000851770166 588625510 /nfs/dbraw/zinc/62/55/10/588625510.db2.gz OWTMRENCLXAHPH-NSHDSACASA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[NH+]1CCC(COC)CC1 ZINC000851770389 588625593 /nfs/dbraw/zinc/62/55/93/588625593.db2.gz XKZHURLCVDAMEH-UHFFFAOYSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CC[N@H+](CC)CCc1nnn(C(C)(C)C)n1 ZINC000851799802 588630468 /nfs/dbraw/zinc/63/04/68/588630468.db2.gz SAPNAIZIPWAVPR-UHFFFAOYSA-N 1 0 235.335 0.926 20 30 BCEDRO C#CCOCC[NH2+][C@@](C)(C(N)=O)c1ccccc1 ZINC000851834870 588634038 /nfs/dbraw/zinc/63/40/38/588634038.db2.gz XBANVTIASXAVSQ-CQSZACIVSA-N 1 0 246.310 0.627 20 30 BCEDRO C#CCOCC[N@@H+]1CCC2(C1)OCCO2 ZINC000851839081 588634261 /nfs/dbraw/zinc/63/42/61/588634261.db2.gz DGKSJBHBYCKILS-UHFFFAOYSA-N 1 0 211.261 0.085 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](OCCOCC)C1 ZINC000851862718 588636050 /nfs/dbraw/zinc/63/60/50/588636050.db2.gz DXMZRIYBGMULKW-ZDUSSCGKSA-N 1 0 241.331 0.764 20 30 BCEDRO C#CCOCC[N@@H+]1CCOC2(CCC2)C1 ZINC000851883356 588639467 /nfs/dbraw/zinc/63/94/67/588639467.db2.gz FREDXPUEWFQKBN-UHFFFAOYSA-N 1 0 209.289 0.891 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000851887668 588640366 /nfs/dbraw/zinc/64/03/66/588640366.db2.gz SVSLONPFSQRRDM-RYUDHWBXSA-N 1 0 210.321 0.661 20 30 BCEDRO N#CCC1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000851918662 588643532 /nfs/dbraw/zinc/64/35/32/588643532.db2.gz BXDWXUYBRLUGPN-LLVKDONJSA-N 1 0 221.304 0.748 20 30 BCEDRO C=C(Cl)C[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000851925997 588644474 /nfs/dbraw/zinc/64/44/74/588644474.db2.gz GXQUPYVHVPVLLN-SNVBAGLBSA-N 1 0 246.738 0.999 20 30 BCEDRO C#CCOCCN1CC[C@@H](C)C[C@H]1C(=O)OC ZINC000851950139 588646975 /nfs/dbraw/zinc/64/69/75/588646975.db2.gz MJYKICIKYFHVHL-NEPJUHHUSA-N 1 0 239.315 0.910 20 30 BCEDRO C=CC[N@@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851953739 588647334 /nfs/dbraw/zinc/64/73/34/588647334.db2.gz FAKTUFFXQJROGN-CYBMUJFWSA-N 1 0 234.299 0.477 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000851970715 588649592 /nfs/dbraw/zinc/64/95/92/588649592.db2.gz JBJBJCQMTCDEEY-VXGBXAGGSA-N 1 0 211.305 0.993 20 30 BCEDRO C=CCC[N@@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851974163 588650027 /nfs/dbraw/zinc/65/00/27/588650027.db2.gz UAKZOPVLTAOTSQ-CQSZACIVSA-N 1 0 248.326 0.867 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H]1CCC(=O)O1 ZINC000851980205 588651004 /nfs/dbraw/zinc/65/10/04/588651004.db2.gz QNRUDSHAAXTYKH-JTQLQIEISA-N 1 0 213.277 0.826 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000852008534 588654715 /nfs/dbraw/zinc/65/47/15/588654715.db2.gz KJVUFNNUQVDDLN-MNOVXSKESA-N 1 0 238.287 0.067 20 30 BCEDRO C#CCOCC[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000852051829 588657711 /nfs/dbraw/zinc/65/77/11/588657711.db2.gz HCBKITRNUCNYEV-CQSZACIVSA-N 1 0 249.310 0.839 20 30 BCEDRO C#CCOCC[NH2+][C@H](CO)C1CCCC1 ZINC000852067197 588658799 /nfs/dbraw/zinc/65/87/99/588658799.db2.gz VWLFHJMJILHBTF-GFCCVEGCSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](CO)CC1 ZINC000852094387 588661622 /nfs/dbraw/zinc/66/16/22/588661622.db2.gz YYIJKLJMDYRYNF-GFCCVEGCSA-N 1 0 211.305 0.731 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCCC(=O)NC(N)=O ZINC000852099909 588662753 /nfs/dbraw/zinc/66/27/53/588662753.db2.gz RKOGULSCKUNTNO-LLVKDONJSA-N 1 0 225.292 0.353 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1cnccn1 ZINC000852104983 588663890 /nfs/dbraw/zinc/66/38/90/588663890.db2.gz RAWOUPOUGXNOGI-LBPRGKRZSA-N 1 0 232.287 0.807 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCC(=O)N(C)OC ZINC000852103904 588663898 /nfs/dbraw/zinc/66/38/98/588663898.db2.gz VAHKUGRGSBBRIY-NSHDSACASA-N 1 0 212.293 0.788 20 30 BCEDRO C#CCOCC[NH2+]C(C)(C)c1nc(C)cc(=O)[nH]1 ZINC000852145160 588667300 /nfs/dbraw/zinc/66/73/00/588667300.db2.gz HSCATAAJIHRYOS-UHFFFAOYSA-N 1 0 249.314 0.965 20 30 BCEDRO C#CCOCC[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000852172187 588669276 /nfs/dbraw/zinc/66/92/76/588669276.db2.gz GKIBPBABZNVANZ-NEPJUHHUSA-N 1 0 227.304 0.013 20 30 BCEDRO C#CC1CC[NH+]([C@H]2CCN(CC)C2=O)CC1 ZINC000852207532 588672268 /nfs/dbraw/zinc/67/22/68/588672268.db2.gz JKLDAGOMKDVUSJ-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCOCC[NH2+]C1(CC(=O)OC)CC1 ZINC000852210310 588672350 /nfs/dbraw/zinc/67/23/50/588672350.db2.gz BHWCFHPSMGVSRV-UHFFFAOYSA-N 1 0 211.261 0.322 20 30 BCEDRO C#CCOCC[NH+]1CCC([C@@H](C)CO)CC1 ZINC000852213144 588673170 /nfs/dbraw/zinc/67/31/70/588673170.db2.gz GNNSIJJXXTVKST-LBPRGKRZSA-N 1 0 225.332 0.977 20 30 BCEDRO C#CC[NH2+][C@H](C1CC1)C1(CO)CCOCC1 ZINC000852284644 588675918 /nfs/dbraw/zinc/67/59/18/588675918.db2.gz QCOXRPQARILDFG-GFCCVEGCSA-N 1 0 223.316 0.777 20 30 BCEDRO C#C[C@H](NC(=O)N(C)CC1C[NH+](C)C1)C(C)C ZINC000852304537 588677521 /nfs/dbraw/zinc/67/75/21/588677521.db2.gz LLLMXVGXCANAAG-LBPRGKRZSA-N 1 0 237.347 0.847 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852435711 588682034 /nfs/dbraw/zinc/68/20/34/588682034.db2.gz AHBZDAYQYHEBBX-QWRGUYRKSA-N 1 0 240.303 0.450 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852442862 588682914 /nfs/dbraw/zinc/68/29/14/588682914.db2.gz MQZNBZYXWPYPNS-NSHDSACASA-N 1 0 240.303 0.716 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000852475251 588683325 /nfs/dbraw/zinc/68/33/25/588683325.db2.gz CXYBXICSBZSFFI-GMTAPVOTSA-N 1 0 236.315 0.281 20 30 BCEDRO C[C@H](C#N)N(C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000852480956 588684410 /nfs/dbraw/zinc/68/44/10/588684410.db2.gz XWIYUKJVGNRKFF-DGCLKSJQSA-N 1 0 237.347 0.820 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)C[C@@H]1COCCO1 ZINC000852495371 588685332 /nfs/dbraw/zinc/68/53/32/588685332.db2.gz JPNKHXZWPCBLOP-WDEREUQCSA-N 1 0 228.292 0.262 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1=CCCOC1 ZINC000852518846 588687658 /nfs/dbraw/zinc/68/76/58/588687658.db2.gz QBIIWFMZTUAHPY-LLVKDONJSA-N 1 0 236.315 0.403 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000852536499 588688490 /nfs/dbraw/zinc/68/84/90/588688490.db2.gz VZSIRULPXARVKC-DGCLKSJQSA-N 1 0 236.315 0.094 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000852535783 588688822 /nfs/dbraw/zinc/68/88/22/588688822.db2.gz KUELJJIUYZUROG-NEPJUHHUSA-N 1 0 209.289 0.605 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852538335 588689310 /nfs/dbraw/zinc/68/93/10/588689310.db2.gz ZFODXHMNLMDDHD-GARJFASQSA-N 1 0 210.277 0.372 20 30 BCEDRO N#CCCOCC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000852580754 588692043 /nfs/dbraw/zinc/69/20/43/588692043.db2.gz DZOBMHVIUDQSGA-QWRGUYRKSA-N 1 0 224.304 0.810 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000852583979 588692052 /nfs/dbraw/zinc/69/20/52/588692052.db2.gz BIYXWLWELGWHJB-HBNTYKKESA-N 1 0 236.315 0.017 20 30 BCEDRO C#CCOCC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000852581277 588692129 /nfs/dbraw/zinc/69/21/29/588692129.db2.gz JXCZAYVCDOJTET-QWRGUYRKSA-N 1 0 209.289 0.529 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000852583272 588692134 /nfs/dbraw/zinc/69/21/34/588692134.db2.gz UVVONSMYLVBQCF-MXWKQRLJSA-N 1 0 224.304 0.808 20 30 BCEDRO N#CCCOCC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000852580749 588692147 /nfs/dbraw/zinc/69/21/47/588692147.db2.gz DZOBMHVIUDQSGA-GHMZBOCLSA-N 1 0 224.304 0.810 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000852636636 588693583 /nfs/dbraw/zinc/69/35/83/588693583.db2.gz YUZFMVAYULBKGB-DCAQKATOSA-N 1 0 206.289 0.466 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852664477 588694408 /nfs/dbraw/zinc/69/44/08/588694408.db2.gz HRCZLDUXNYIVJZ-NWDGAFQWSA-N 1 0 236.315 0.094 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC2(COC2)C1 ZINC000852682939 588695322 /nfs/dbraw/zinc/69/53/22/588695322.db2.gz CNLJQDWEDCIPSD-JTQLQIEISA-N 1 0 210.277 0.637 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000852705564 588697382 /nfs/dbraw/zinc/69/73/82/588697382.db2.gz YIGUXHVEDSLASP-VXGBXAGGSA-N 1 0 211.305 0.587 20 30 BCEDRO C#CCNC(=O)CNC(C)(C)C[N@@H+](C)CCC ZINC000852715462 588697460 /nfs/dbraw/zinc/69/74/60/588697460.db2.gz OEFDRAJHUVEDDC-UHFFFAOYSA-N 1 0 239.363 0.446 20 30 BCEDRO C#CCC[N@@H+](CCOC)Cc1cn[nH]c1 ZINC000852749436 588698549 /nfs/dbraw/zinc/69/85/49/588698549.db2.gz YBLJVQKGLUFBQE-UHFFFAOYSA-N 1 0 207.277 0.881 20 30 BCEDRO CCN(CC)C(=O)C#CC1CC[NH2+]CC1 ZINC000852799351 588704003 /nfs/dbraw/zinc/70/40/03/588704003.db2.gz GCLYYGNALZYKOJ-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO CC(C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852801179 588704369 /nfs/dbraw/zinc/70/43/69/588704369.db2.gz WYZYEBRJRBTUMZ-UHFFFAOYSA-N 1 0 208.305 0.762 20 30 BCEDRO CC[C@H](COC)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852808420 588704995 /nfs/dbraw/zinc/70/49/95/588704995.db2.gz WIHOBWSCRNINDJ-GFCCVEGCSA-N 1 0 238.331 0.531 20 30 BCEDRO Cn1nccc1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852812949 588705067 /nfs/dbraw/zinc/70/50/67/588705067.db2.gz FNRWWQAMYRRCNN-UHFFFAOYSA-N 1 0 246.314 0.039 20 30 BCEDRO CN(CC(F)F)C(=O)C#CC1CC[NH2+]CC1 ZINC000852824131 588705827 /nfs/dbraw/zinc/70/58/27/588705827.db2.gz QDTDIUZEPMRASD-UHFFFAOYSA-N 1 0 230.258 0.713 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(F)s1 ZINC000852827056 588706004 /nfs/dbraw/zinc/70/60/04/588706004.db2.gz AOKGZXSFKFQWDG-RNFRBKRXSA-N 1 0 239.275 0.729 20 30 BCEDRO COc1cc(C(=O)NC[C@H](C)C[NH3+])ccc1C#N ZINC000852825351 588706109 /nfs/dbraw/zinc/70/61/09/588706109.db2.gz OWZLVGQLUALVLU-SECBINFHSA-N 1 0 247.298 0.891 20 30 BCEDRO C/C(=C/C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)c1ccco1 ZINC000852827149 588706205 /nfs/dbraw/zinc/70/62/05/588706205.db2.gz CEJBOEYEZTZSKI-DESOLJLISA-N 1 0 245.282 0.911 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCCn1ccnc1 ZINC000852856068 588708529 /nfs/dbraw/zinc/70/85/29/588708529.db2.gz TZUAUZNRIURJDT-UHFFFAOYSA-N 1 0 246.314 0.002 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCc1cccnc1 ZINC000852856512 588708750 /nfs/dbraw/zinc/70/87/50/588708750.db2.gz RPIQOVOEGQTNEM-UHFFFAOYSA-N 1 0 243.310 0.701 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccncc1 ZINC000852856726 588708878 /nfs/dbraw/zinc/70/88/78/588708878.db2.gz VAJBGFXUBASVRO-UHFFFAOYSA-N 1 0 229.283 0.445 20 30 BCEDRO CSC(C)(C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852875159 588710232 /nfs/dbraw/zinc/71/02/32/588710232.db2.gz FWJHGPYDKSXASN-SFYZADRCSA-N 1 0 227.333 0.356 20 30 BCEDRO CCC(F)(F)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852874560 588709786 /nfs/dbraw/zinc/70/97/86/588709786.db2.gz AVJCPQIIIWDNGZ-RNFRBKRXSA-N 1 0 217.219 0.259 20 30 BCEDRO CCC(F)(F)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852874561 588709928 /nfs/dbraw/zinc/70/99/28/588709928.db2.gz AVJCPQIIIWDNGZ-RQJHMYQMSA-N 1 0 217.219 0.259 20 30 BCEDRO CC1(C)OC[C@@H]2C[C@@]21C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852875790 588710077 /nfs/dbraw/zinc/71/00/77/588710077.db2.gz PQYUUOLEVUNJQQ-COMAGPEQSA-N 1 0 249.314 0.029 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCCn1cccn1 ZINC000852883642 588711269 /nfs/dbraw/zinc/71/12/69/588711269.db2.gz MINAOWQOMVANEA-UHFFFAOYSA-N 1 0 246.314 0.002 20 30 BCEDRO CC(C)[C@@H](CO)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852897032 588712007 /nfs/dbraw/zinc/71/20/07/588712007.db2.gz FHIFICGKNHVCIP-GFCCVEGCSA-N 1 0 238.331 0.123 20 30 BCEDRO C[C@@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CO1 ZINC000852894508 588712104 /nfs/dbraw/zinc/71/21/04/588712104.db2.gz LAYYVQMTNOOTPW-ZYHUDNBSSA-N 1 0 236.315 0.283 20 30 BCEDRO Cc1cncn1CC(=O)OCC1(C#N)COC1 ZINC000860773968 589119610 /nfs/dbraw/zinc/11/96/10/589119610.db2.gz HOIBEWSVUVHMLS-UHFFFAOYSA-N 1 0 235.243 0.275 20 30 BCEDRO C=CCSCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861571138 589168412 /nfs/dbraw/zinc/16/84/12/589168412.db2.gz VXTKWGWLGYFGRH-SECBINFHSA-N 1 0 231.365 0.894 20 30 BCEDRO C#C[C@@H](NC(=O)N(CC)CC[NH3+])[C@@H]1CCCO1 ZINC000861619380 589170779 /nfs/dbraw/zinc/17/07/79/589170779.db2.gz ZFBKCTSJKYHSBU-MNOVXSKESA-N 1 0 239.319 0.157 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861624639 589171016 /nfs/dbraw/zinc/17/10/16/589171016.db2.gz VPLWYTKISITEBJ-GHMZBOCLSA-N 1 0 223.320 0.840 20 30 BCEDRO C#C[C@@H](NC(=O)NCCOCC[NH2+]C)C(C)C ZINC000861633844 589171338 /nfs/dbraw/zinc/17/13/38/589171338.db2.gz VNEYHPJGXUQKTN-LLVKDONJSA-N 1 0 241.335 0.179 20 30 BCEDRO C#C[C@H](NC(=O)N(CC)CC[NH3+])C(C)C ZINC000861633409 589171484 /nfs/dbraw/zinc/17/14/84/589171484.db2.gz OBLLDWQDGWRTQJ-JTQLQIEISA-N 1 0 211.309 0.634 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861648432 589172853 /nfs/dbraw/zinc/17/28/53/589172853.db2.gz WHHJAPXHOHRERJ-DCAQKATOSA-N 1 0 241.335 0.566 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861660243 589173571 /nfs/dbraw/zinc/17/35/71/589173571.db2.gz IVNCVQLVZFOOGY-QWRGUYRKSA-N 1 0 235.331 0.934 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861660241 589173662 /nfs/dbraw/zinc/17/36/62/589173662.db2.gz IVNCVQLVZFOOGY-GHMZBOCLSA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCN(C(=O)NCCOCC[NH2+]C)C1CC1 ZINC000861675533 589173883 /nfs/dbraw/zinc/17/38/83/589173883.db2.gz FXRPQDSXPGLFJG-UHFFFAOYSA-N 1 0 239.319 0.030 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861691537 589174318 /nfs/dbraw/zinc/17/43/18/589174318.db2.gz WPZAFAZWPYPARR-GARJFASQSA-N 1 0 223.320 0.790 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861682673 589174345 /nfs/dbraw/zinc/17/43/45/589174345.db2.gz UJQBNKFMUIPHHJ-MRVPVSSYSA-N 1 0 233.699 0.027 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861702407 589175268 /nfs/dbraw/zinc/17/52/68/589175268.db2.gz NOTNEVPUJCHKRM-GARJFASQSA-N 1 0 223.320 0.838 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861700973 589175362 /nfs/dbraw/zinc/17/53/62/589175362.db2.gz LUEXJDJSDAJFDU-JGVFFNPUSA-N 1 0 217.700 0.789 20 30 BCEDRO CCCCCCCNC(=O)C(=O)NCCC[NH3+] ZINC000861775474 589177870 /nfs/dbraw/zinc/17/78/70/589177870.db2.gz YPPSKCFLQYWEML-UHFFFAOYSA-N 1 0 243.351 0.538 20 30 BCEDRO C[NH+](C)CCONC(=O)Cc1ccc(C#N)nc1 ZINC000861857588 589180802 /nfs/dbraw/zinc/18/08/02/589180802.db2.gz DQNYMNJHOSSXSW-UHFFFAOYSA-N 1 0 248.286 0.105 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@@H](C)Cn1cccn1 ZINC000862548233 589220136 /nfs/dbraw/zinc/22/01/36/589220136.db2.gz APQSUKGRAIEANG-NWDGAFQWSA-N 1 0 221.304 0.900 20 30 BCEDRO C#CC[C@@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000862566318 589223247 /nfs/dbraw/zinc/22/32/47/589223247.db2.gz LUXNDYLWHOBHGA-VXGBXAGGSA-N 1 0 220.316 0.810 20 30 BCEDRO C=C(CO)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000862794171 589241401 /nfs/dbraw/zinc/24/14/01/589241401.db2.gz XYPXXAVSRQCBKC-LLVKDONJSA-N 1 0 226.320 0.383 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1COC ZINC000862963275 589248942 /nfs/dbraw/zinc/24/89/42/589248942.db2.gz GKDBAGCRLKPKIV-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C[C@H]1CNC(NN=C2CCC(C)(O)CC2)=[NH+]1 ZINC000863104963 589256210 /nfs/dbraw/zinc/25/62/10/589256210.db2.gz HTCHPQZQORGXEK-YMNIQAILSA-N 1 0 224.308 0.605 20 30 BCEDRO CCC(=[NH+]OCC(N)=O)c1ccc(N)cc1 ZINC000863104763 589256391 /nfs/dbraw/zinc/25/63/91/589256391.db2.gz QPDVQOSKEFDSAS-UHFFFAOYSA-N 1 0 221.260 0.885 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1cnc(C2CC2)o1 ZINC000863120192 589260286 /nfs/dbraw/zinc/26/02/86/589260286.db2.gz MLNXRFROUXTIFJ-UHFFFAOYSA-N 1 0 219.248 0.435 20 30 BCEDRO C#CCNC(=S)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000863218525 589272215 /nfs/dbraw/zinc/27/22/15/589272215.db2.gz WYGRLMYMQNPINK-LLVKDONJSA-N 1 0 239.388 0.816 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)c1ccccn1 ZINC000863589086 589302710 /nfs/dbraw/zinc/30/27/10/589302710.db2.gz JMPZDBMYYMXWFD-DGCLKSJQSA-N 1 0 234.299 0.743 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)C1CC1 ZINC000863589716 589302735 /nfs/dbraw/zinc/30/27/35/589302735.db2.gz VSLJYZNFEXNTNC-NWDGAFQWSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@H](COC)[NH2+]CCC(=O)N(C)OC ZINC000863590193 589302753 /nfs/dbraw/zinc/30/27/53/589302753.db2.gz GQCCQTFRIJTKSO-SNVBAGLBSA-N 1 0 228.292 0.024 20 30 BCEDRO C=CCN(C(=O)C(=O)N(CC)CC[NH3+])C(C)C ZINC000863749867 589314388 /nfs/dbraw/zinc/31/43/88/589314388.db2.gz DKMUYCDCDFHQAC-UHFFFAOYSA-N 1 0 241.335 0.217 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)[C@H](C)[NH+](C)C ZINC000863785323 589317695 /nfs/dbraw/zinc/31/76/95/589317695.db2.gz CSFPPHAHQRDTAE-QWRGUYRKSA-N 1 0 226.320 0.481 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000863786525 589318023 /nfs/dbraw/zinc/31/80/23/589318023.db2.gz CBOPKIJCXMAKEJ-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCC(C)(C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863833916 589322212 /nfs/dbraw/zinc/32/22/12/589322212.db2.gz XZABMAHRMIOCBM-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C[C@H]1CC(NC(=O)C[N@H+](C)C2CCC2)=NO1 ZINC000863901939 589324617 /nfs/dbraw/zinc/32/46/17/589324617.db2.gz IJHVQIMEVBNIKB-QMMMGPOBSA-N 1 0 225.292 0.709 20 30 BCEDRO CC[NH+]=C(NC[C@H](O)C(F)(F)F)NC(C)C ZINC000864236731 589348577 /nfs/dbraw/zinc/34/85/77/589348577.db2.gz SVYFPLUXVVSXSN-ZETCQYMHSA-N 1 0 241.257 0.873 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000864422397 589361341 /nfs/dbraw/zinc/36/13/41/589361341.db2.gz INGPGCFFNUSQLY-MNOVXSKESA-N 1 0 223.320 0.908 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000864422396 589361458 /nfs/dbraw/zinc/36/14/58/589361458.db2.gz INGPGCFFNUSQLY-GHMZBOCLSA-N 1 0 223.320 0.908 20 30 BCEDRO C#CCOCCNC(=[NH2+])NCCC1CC1 ZINC000864462794 589369466 /nfs/dbraw/zinc/36/94/66/589369466.db2.gz PBFLZZOBQZNBFW-UHFFFAOYSA-N 1 0 209.293 0.550 20 30 BCEDRO C[C@H](CNC(=O)[C@@]1(C#N)CCCOC1)[NH+](C)C ZINC000864829255 589397239 /nfs/dbraw/zinc/39/72/39/589397239.db2.gz YGQWPFVGGWFNGF-ZYHUDNBSSA-N 1 0 239.319 0.373 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)/C=C/COC)CC1 ZINC000865194512 589413987 /nfs/dbraw/zinc/41/39/87/589413987.db2.gz XDFJCUKMJOWCEA-SNAWJCMRSA-N 1 0 238.331 0.956 20 30 BCEDRO C=CCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000865343267 589422701 /nfs/dbraw/zinc/42/27/01/589422701.db2.gz KSDRTIFWGJZKQT-UHFFFAOYSA-N 1 0 209.293 0.838 20 30 BCEDRO C[C@H](O)[C@@H](O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000865737757 589459289 /nfs/dbraw/zinc/45/92/89/589459289.db2.gz DUDWFEGNUUEVNY-VOBJUBJWSA-N 1 0 226.320 0.790 20 30 BCEDRO C#Cc1ccc(C[NH2+]C[C@H](O)[C@@H](C)O)cc1 ZINC000865738337 589459730 /nfs/dbraw/zinc/45/97/30/589459730.db2.gz LLJWUPAHGNYHKP-MFKMUULPSA-N 1 0 219.284 0.499 20 30 BCEDRO CC[NH2+]CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868037364 589545965 /nfs/dbraw/zinc/54/59/65/589545965.db2.gz CLYICEWTLISRPO-ZDUSSCGKSA-N 1 0 243.310 0.751 20 30 BCEDRO C[C@@H](C[NH3+])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868038244 589545978 /nfs/dbraw/zinc/54/59/78/589545978.db2.gz OMNHWHCBERSGEA-ZANVPECISA-N 1 0 243.310 0.736 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[C@](C)([NH3+])C1 ZINC000868075503 589547841 /nfs/dbraw/zinc/54/78/41/589547841.db2.gz KHIVVPWTDVHHKU-PWSUYJOCSA-N 1 0 226.320 0.917 20 30 BCEDRO CC#CCNC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868454271 589558666 /nfs/dbraw/zinc/55/86/66/589558666.db2.gz AOSWPGGYTNUVGQ-NEPJUHHUSA-N 1 0 235.331 0.745 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3coc(C#N)c3)[C@H]2C1 ZINC000868519459 589562197 /nfs/dbraw/zinc/56/21/97/589562197.db2.gz BTGVTLSGNOMFBK-SKDRFNHKSA-N 1 0 245.282 0.927 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3coc(C#N)c3)C[C@H]21 ZINC000868732829 589574933 /nfs/dbraw/zinc/57/49/33/589574933.db2.gz VJXWLRCIJMTMIE-GDNZZTSVSA-N 1 0 245.282 0.783 20 30 BCEDRO C=CCCC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000869781846 589629817 /nfs/dbraw/zinc/62/98/17/589629817.db2.gz YLYHFZPZNCHUSM-NSHDSACASA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869780891 589629870 /nfs/dbraw/zinc/62/98/70/589629870.db2.gz WHXUBIDUJJPPIW-ZJUUUORDSA-N 1 0 239.319 0.107 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1nnc(OC)s1 ZINC000870178693 589647763 /nfs/dbraw/zinc/64/77/63/589647763.db2.gz PJWJVIKBVUNWPN-UHFFFAOYSA-N 1 0 242.304 0.603 20 30 BCEDRO C#CCOCCC(=O)O[C@H](CC)C[NH+](C)C ZINC000870549979 589674362 /nfs/dbraw/zinc/67/43/62/589674362.db2.gz KTKCNTCIGQXQQF-LLVKDONJSA-N 1 0 227.304 0.910 20 30 BCEDRO C[C@@H]1CN(C(=O)c2coc(C#N)c2)CC[NH2+]1 ZINC000870913161 589696710 /nfs/dbraw/zinc/69/67/10/589696710.db2.gz RMZKLBTWIPXZFS-MRVPVSSYSA-N 1 0 219.244 0.585 20 30 BCEDRO N#Cc1cc(C(=O)N[C@@H]2CCC[NH2+]C2)co1 ZINC000870933083 589698071 /nfs/dbraw/zinc/69/80/71/589698071.db2.gz PHIFFPRXUSYJEH-SECBINFHSA-N 1 0 219.244 0.633 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1C(=O)c1coc(C#N)c1 ZINC000870934112 589698076 /nfs/dbraw/zinc/69/80/76/589698076.db2.gz FNYQMBJTKPWQLF-MRVPVSSYSA-N 1 0 219.244 0.585 20 30 BCEDRO C[NH2+][C@@H]1CCCN(C(=O)c2coc(C#N)c2)C1 ZINC000870935533 589698392 /nfs/dbraw/zinc/69/83/92/589698392.db2.gz YMVGIGNVBYXLOZ-SNVBAGLBSA-N 1 0 233.271 0.975 20 30 BCEDRO C[NH2+][C@H]1CCCN(C(=O)c2coc(C#N)c2)C1 ZINC000870935532 589698565 /nfs/dbraw/zinc/69/85/65/589698565.db2.gz YMVGIGNVBYXLOZ-JTQLQIEISA-N 1 0 233.271 0.975 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)c1coc(C#N)c1 ZINC000870938240 589698745 /nfs/dbraw/zinc/69/87/45/589698745.db2.gz IGAQXMOHKXLBAJ-SSDOTTSWSA-N 1 0 207.233 0.476 20 30 BCEDRO CC(C)[C@@H]([NH3+])CNC(=O)c1coc(C#N)c1 ZINC000870936765 589698952 /nfs/dbraw/zinc/69/89/52/589698952.db2.gz OQVLUWVVGBATTB-JTQLQIEISA-N 1 0 221.260 0.864 20 30 BCEDRO COCC[NH2+]CCNC(=O)c1coc(C#N)c1 ZINC000870939021 589699259 /nfs/dbraw/zinc/69/92/59/589699259.db2.gz JHKNJGZSEJOULK-UHFFFAOYSA-N 1 0 237.259 0.117 20 30 BCEDRO Cc1cnc(F)c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000870941630 589699767 /nfs/dbraw/zinc/69/97/67/589699767.db2.gz XEZWTAAHHVVUJU-SCZZXKLOSA-N 1 0 248.261 0.371 20 30 BCEDRO N#Cc1cc(C(=O)N[C@@H](CC[NH3+])C(F)F)co1 ZINC000870944165 589700033 /nfs/dbraw/zinc/70/00/33/589700033.db2.gz BZCQWGFVJDOBLS-QMMMGPOBSA-N 1 0 243.213 0.864 20 30 BCEDRO C[NH2+]CCCN(C)C(=O)c1coc(C#N)c1 ZINC000870947620 589700696 /nfs/dbraw/zinc/70/06/96/589700696.db2.gz FWTZGPPUIHPECU-UHFFFAOYSA-N 1 0 221.260 0.833 20 30 BCEDRO N#Cc1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)co1 ZINC000870972841 589704128 /nfs/dbraw/zinc/70/41/28/589704128.db2.gz XMZQKADZQBTGIC-XWEPSHTISA-N 1 0 219.244 0.618 20 30 BCEDRO C[NH2+]CCC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000871012418 589711342 /nfs/dbraw/zinc/71/13/42/589711342.db2.gz SOLKWIIKSIBFCP-ZDUSSCGKSA-N 1 0 243.310 0.751 20 30 BCEDRO CNC(NC[C@@H]1C[C@@H]2CCC[C@H]2O1)=[NH+]C ZINC000871603286 589770618 /nfs/dbraw/zinc/77/06/18/589770618.db2.gz MNERIHZETCHGJA-LPEHRKFASA-N 1 0 211.309 0.739 20 30 BCEDRO C=C(C)COCCNC(=[NH2+])N(C)CCOC ZINC000871604469 589773918 /nfs/dbraw/zinc/77/39/18/589773918.db2.gz DGHQCROQIHIPOB-UHFFFAOYSA-N 1 0 229.324 0.682 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000871926815 589833183 /nfs/dbraw/zinc/83/31/83/589833183.db2.gz KZXDZQOQUZOLKQ-ZJUUUORDSA-N 1 0 236.319 0.761 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H](C)c2ccnn2C)C1=O ZINC000871925498 589833209 /nfs/dbraw/zinc/83/32/09/589833209.db2.gz CDAITTANKLRCPY-MNOVXSKESA-N 1 0 248.330 0.858 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872203400 589890943 /nfs/dbraw/zinc/89/09/43/589890943.db2.gz XKQIFHWZKIZTHL-LLVKDONJSA-N 1 0 231.336 0.691 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000872205514 589892280 /nfs/dbraw/zinc/89/22/80/589892280.db2.gz BARBETFGIUKTRO-QWHCGFSZSA-N 1 0 241.331 0.138 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872216129 589895086 /nfs/dbraw/zinc/89/50/86/589895086.db2.gz MIBUAYWXRTWXMV-RYUDHWBXSA-N 1 0 243.347 0.526 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872216028 589895122 /nfs/dbraw/zinc/89/51/22/589895122.db2.gz MIBUAYWXRTWXMV-NWDGAFQWSA-N 1 0 243.347 0.526 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872216365 589895314 /nfs/dbraw/zinc/89/53/14/589895314.db2.gz SDESIAQMPVGNRP-GHMZBOCLSA-N 1 0 229.320 0.136 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)C[C@@H](C)O ZINC000872240939 589899521 /nfs/dbraw/zinc/89/95/21/589899521.db2.gz KIIDJZXANXNTIK-MNOVXSKESA-N 1 0 226.320 0.265 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC12CCC2 ZINC000872251297 589900636 /nfs/dbraw/zinc/90/06/36/589900636.db2.gz NFFYMVBQUPYJSS-NEPJUHHUSA-N 1 0 237.347 0.725 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccnn1CC1CCC1 ZINC000872341335 589914449 /nfs/dbraw/zinc/91/44/49/589914449.db2.gz OAGIWZSBCVSIEP-UHFFFAOYSA-N 1 0 220.280 0.500 20 30 BCEDRO C[C@H]1C(N=Nc2cccnn2)CC[N@@H+]1C ZINC000872352909 589916341 /nfs/dbraw/zinc/91/63/41/589916341.db2.gz MCQVNLFMHTVYBD-QMMMGPOBSA-N 1 0 205.265 0.969 20 30 BCEDRO C[C@H]1C(N=Nc2nccn(C)c2=O)CC[N@@H+]1C ZINC000872355347 589917171 /nfs/dbraw/zinc/91/71/71/589917171.db2.gz TWVHLXBNCPGFDP-QMMMGPOBSA-N 1 0 235.291 0.272 20 30 BCEDRO C[NH+](C)C1(C)CCC(=NNS(C)(=O)=O)CC1 ZINC000872359190 589918730 /nfs/dbraw/zinc/91/87/30/589918730.db2.gz VBYMYDBQCXVNKV-UHFFFAOYSA-N 1 0 247.364 0.786 20 30 BCEDRO C[NH+]1CCC(C=NN2CCCNC2=O)CC1 ZINC000872363403 589919809 /nfs/dbraw/zinc/91/98/09/589919809.db2.gz XXYOQJAAYUMHMT-UHFFFAOYSA-N 1 0 224.308 0.729 20 30 BCEDRO COc1cncc(C=NNC2=[NH+]C[C@@H](C)N2)c1C ZINC000872364545 589920333 /nfs/dbraw/zinc/92/03/33/589920333.db2.gz NJSCQVGMWJRDMS-MRVPVSSYSA-N 1 0 247.302 0.670 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnsc2)N1 ZINC000872365028 589920856 /nfs/dbraw/zinc/92/08/56/589920856.db2.gz ZPNKEXUZQVDHQF-ZCFIWIBFSA-N 1 0 209.278 0.414 20 30 BCEDRO C[C@H](O)CN(C)N=CC1CC[NH+](C)CC1 ZINC000872381544 589928503 /nfs/dbraw/zinc/92/85/03/589928503.db2.gz SLMDFRYDSOPUIO-JTQLQIEISA-N 1 0 213.325 0.627 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]N(C)[C@H](C)CO ZINC000872384005 589928538 /nfs/dbraw/zinc/92/85/38/589928538.db2.gz AMGBPKBANXQXFO-SECBINFHSA-N 1 0 222.292 0.619 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]N(C)C[C@@H](C)O ZINC000872385638 589929087 /nfs/dbraw/zinc/92/90/87/589929087.db2.gz KPZJJANCBGRJFS-SECBINFHSA-N 1 0 222.292 0.619 20 30 BCEDRO CN(C)c1ncc(C=[NH+]N2CCC2)n1C ZINC000872397544 589934343 /nfs/dbraw/zinc/93/43/43/589934343.db2.gz NVFWVQIJLHDHRR-UHFFFAOYSA-N 1 0 207.281 0.526 20 30 BCEDRO Cc1cc(N=NC2CC[N@H+](C)[C@H]2C)nc(N)n1 ZINC000872421714 589938183 /nfs/dbraw/zinc/93/81/83/589938183.db2.gz VOHSMQQVDUSERX-QMMMGPOBSA-N 1 0 234.307 0.859 20 30 BCEDRO CC#CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874827026 590138383 /nfs/dbraw/zinc/13/83/83/590138383.db2.gz AHGBVLIPEWPZDT-WDEREUQCSA-N 1 0 206.289 0.705 20 30 BCEDRO C#C[C@H]1CC[C@H](NC(=O)C[NH+](C)C)CC1 ZINC000874864604 590151057 /nfs/dbraw/zinc/15/10/57/590151057.db2.gz MGCMNVGPMUJGJV-XYPYZODXSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875649703 590167538 /nfs/dbraw/zinc/16/75/38/590167538.db2.gz VJHPKNGTYICGDU-WDEREUQCSA-N 1 0 239.319 0.840 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000876501958 590203330 /nfs/dbraw/zinc/20/33/30/590203330.db2.gz SSMIQDJDXZYOCY-SNVBAGLBSA-N 1 0 208.305 0.986 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CCC[C@H]([NH3+])C1 ZINC000876501957 590203361 /nfs/dbraw/zinc/20/33/61/590203361.db2.gz SSMIQDJDXZYOCY-JTQLQIEISA-N 1 0 208.305 0.986 20 30 BCEDRO CC(C)(C)C#CC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000876508276 590204936 /nfs/dbraw/zinc/20/49/36/590204936.db2.gz KYLDNPGTSMMKRB-SNVBAGLBSA-N 1 0 208.305 0.904 20 30 BCEDRO O=C(C#CC1CC1)NC[C@@H]1CCC[NH2+]C1 ZINC000876513503 590206147 /nfs/dbraw/zinc/20/61/47/590206147.db2.gz NIWHQHHSGRGJCO-LLVKDONJSA-N 1 0 206.289 0.516 20 30 BCEDRO N#CC1(C(=O)N2CCC[C@H](C[NH3+])C2)CCC1 ZINC000876514763 590206433 /nfs/dbraw/zinc/20/64/33/590206433.db2.gz YYZRSTHKYSCFCH-SNVBAGLBSA-N 1 0 221.304 0.878 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000876516980 590206466 /nfs/dbraw/zinc/20/64/66/590206466.db2.gz HWDJXYYVNCOKGV-JTQLQIEISA-N 1 0 208.305 0.843 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000876522086 590207549 /nfs/dbraw/zinc/20/75/49/590207549.db2.gz HFWSAFLDRBLCMR-JTQLQIEISA-N 1 0 208.305 0.904 20 30 BCEDRO C[C@@H]([NH3+])C1CCN(C(=O)C#CC2CC2)CC1 ZINC000876523131 590207749 /nfs/dbraw/zinc/20/77/49/590207749.db2.gz LZXRAYVKGMQJFP-SNVBAGLBSA-N 1 0 220.316 0.986 20 30 BCEDRO [NH3+]CC1(NC(=O)C#CC2CC2)CCCC1 ZINC000876531193 590210253 /nfs/dbraw/zinc/21/02/53/590210253.db2.gz YLLNQNKMRMASPC-UHFFFAOYSA-N 1 0 206.289 0.788 20 30 BCEDRO C[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1[NH3+] ZINC000876533760 590210852 /nfs/dbraw/zinc/21/08/52/590210852.db2.gz VSKNLGODJJQJBS-GXSJLCMTSA-N 1 0 206.289 0.596 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCOC ZINC000876544142 590212543 /nfs/dbraw/zinc/21/25/43/590212543.db2.gz OHMQDAGYDNEZOL-SSDOTTSWSA-N 1 0 206.673 0.219 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCO1 ZINC000876544975 590213298 /nfs/dbraw/zinc/21/32/98/590213298.db2.gz DEDVFGQLZCRRDC-BDAKNGLRSA-N 1 0 232.711 0.752 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC(=O)OC ZINC000876558287 590215515 /nfs/dbraw/zinc/21/55/15/590215515.db2.gz QIRZNUDESLCYIA-QMMMGPOBSA-N 1 0 248.710 0.526 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)NCC ZINC000876564929 590216453 /nfs/dbraw/zinc/21/64/53/590216453.db2.gz OBPAMEVGXCAZGD-HTQZYQBOSA-N 1 0 247.726 0.097 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCNC(C)=O ZINC000876599257 590220385 /nfs/dbraw/zinc/22/03/85/590220385.db2.gz YRWLAYCRJUPCQM-VIFPVBQESA-N 1 0 247.726 0.099 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1nc(C)no1 ZINC000876612009 590221696 /nfs/dbraw/zinc/22/16/96/590221696.db2.gz ZCKZZXCAGIZOOY-SSDOTTSWSA-N 1 0 244.682 0.464 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](COC)C1 ZINC000876657146 590226576 /nfs/dbraw/zinc/22/65/76/590226576.db2.gz YVTCXWIBLOYJQY-NXEZZACHSA-N 1 0 246.738 0.951 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](O)[C@H](C)CC ZINC000876658774 590227190 /nfs/dbraw/zinc/22/71/90/590227190.db2.gz FWQPYRBOMOTEJZ-FKTZTGRPSA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ccon1 ZINC000876664082 590227626 /nfs/dbraw/zinc/22/76/26/590227626.db2.gz MITNMWIPNINKMR-MRVPVSSYSA-N 1 0 229.667 0.761 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000876667312 590227873 /nfs/dbraw/zinc/22/78/73/590227873.db2.gz WKGIGCPMDCIWLO-KXUCPTDWSA-N 1 0 244.722 0.846 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1noc(C)n1 ZINC000876668615 590228134 /nfs/dbraw/zinc/22/81/34/590228134.db2.gz ZCCIPAMTMVZMJA-SSDOTTSWSA-N 1 0 244.682 0.464 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876668906 590228263 /nfs/dbraw/zinc/22/82/63/590228263.db2.gz VFVFAXWXWANAEW-HTQZYQBOSA-N 1 0 220.675 0.803 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CCCO ZINC000876669019 590228355 /nfs/dbraw/zinc/22/83/55/590228355.db2.gz YPEFFKKVJUAEPO-RKDXNWHRSA-N 1 0 234.727 0.734 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCn1ccnc1 ZINC000876709018 590232483 /nfs/dbraw/zinc/23/24/83/590232483.db2.gz HASLQJKAZBWMPP-SECBINFHSA-N 1 0 242.710 0.469 20 30 BCEDRO C#CC[N@H+](CC#CC)C[C@]1(OC)CCOC1 ZINC000876751145 590237800 /nfs/dbraw/zinc/23/78/00/590237800.db2.gz YIGWAQJXESOJHQ-CYBMUJFWSA-N 1 0 221.300 0.750 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCc1ncc[nH]1 ZINC000876765592 590239561 /nfs/dbraw/zinc/23/95/61/590239561.db2.gz VOLMCJYGDUALKC-MRVPVSSYSA-N 1 0 242.710 0.538 20 30 BCEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C#CC1CC1 ZINC000876786693 590240830 /nfs/dbraw/zinc/24/08/30/590240830.db2.gz AWTXBFLGPMWCLJ-GXSJLCMTSA-N 1 0 206.289 0.596 20 30 BCEDRO C[NH2+]CCN(C)C(=O)Cc1ccc(C#N)nc1 ZINC000876790974 590241424 /nfs/dbraw/zinc/24/14/24/590241424.db2.gz AQUXHAHSIALXSC-UHFFFAOYSA-N 1 0 232.287 0.174 20 30 BCEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)C#CC1CC1 ZINC000876796746 590242692 /nfs/dbraw/zinc/24/26/92/590242692.db2.gz NIGFXGBHSGGTSJ-VHSXEESVSA-N 1 0 206.289 0.609 20 30 BCEDRO C[C@H]1CN(C(=O)C#CC2CC2)[C@@H](C)C[NH2+]1 ZINC000876796744 590242715 /nfs/dbraw/zinc/24/27/15/590242715.db2.gz NIGFXGBHSGGTSJ-UWVGGRQHSA-N 1 0 206.289 0.609 20 30 BCEDRO CCO[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)C(C)C ZINC000876801342 590243276 /nfs/dbraw/zinc/24/32/76/590243276.db2.gz BKQPRGVRIZGHEN-MXWKQRLJSA-N 1 0 239.319 0.275 20 30 BCEDRO CCn1ncc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1C ZINC000876801467 590243369 /nfs/dbraw/zinc/24/33/69/590243369.db2.gz CXFWCBFHTWAVKA-MWLCHTKSSA-N 1 0 247.302 0.053 20 30 BCEDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 ZINC000876799954 590243500 /nfs/dbraw/zinc/24/35/00/590243500.db2.gz NCSLLERGZMMGPV-FRRDWIJNSA-N 1 0 232.327 0.986 20 30 BCEDRO CCC(C)(C)[C@H](O)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876803220 590243661 /nfs/dbraw/zinc/24/36/61/590243661.db2.gz VMYQDMBQHCQQQZ-LPEHRKFASA-N 1 0 239.319 0.011 20 30 BCEDRO C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)C(F)(F)F ZINC000876803604 590243754 /nfs/dbraw/zinc/24/37/54/590243754.db2.gz XLIYXDNWEZVVCA-GJMOJQLCSA-N 1 0 249.236 0.803 20 30 BCEDRO CC(C)=C(C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876803082 590243818 /nfs/dbraw/zinc/24/38/18/590243818.db2.gz ULTSONZVFLPYPU-MNOVXSKESA-N 1 0 221.304 0.961 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(C(F)F)CCC1 ZINC000876802499 590243868 /nfs/dbraw/zinc/24/38/68/590243868.db2.gz PLYDULLYGABINQ-JGVFFNPUSA-N 1 0 243.257 0.650 20 30 BCEDRO C[C@H](CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C(F)(F)F ZINC000876803603 590244134 /nfs/dbraw/zinc/24/41/34/590244134.db2.gz XLIYXDNWEZVVCA-CSMHCCOUSA-N 1 0 249.236 0.803 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000876807730 590245105 /nfs/dbraw/zinc/24/51/05/590245105.db2.gz JAYWWCNLDWQVBP-SNVBAGLBSA-N 1 0 224.304 0.222 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(F)(F)CN ZINC000876809296 590245462 /nfs/dbraw/zinc/24/54/62/590245462.db2.gz RVOMHAPNSLSCTE-ZCFIWIBFSA-N 1 0 241.669 0.167 20 30 BCEDRO CC1([NH3+])CCN(C(=O)C#CC2CC2)CC1 ZINC000876828216 590246750 /nfs/dbraw/zinc/24/67/50/590246750.db2.gz ZPXGCAZDMGUYJD-UHFFFAOYSA-N 1 0 206.289 0.740 20 30 BCEDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1coc(C#N)c1 ZINC000876831969 590247712 /nfs/dbraw/zinc/24/77/12/590247712.db2.gz MJBBBXHWHOUBLX-DTWKUNHWSA-N 1 0 233.271 0.974 20 30 BCEDRO O=C(C#CC1CC1)N[C@@H]1CC12CC[NH2+]CC2 ZINC000876855982 590250073 /nfs/dbraw/zinc/25/00/73/590250073.db2.gz IFGSBOICOSMBFX-LLVKDONJSA-N 1 0 218.300 0.658 20 30 BCEDRO [NH3+]CC[C@@H](NC(=O)C#CC1CC1)C(F)(F)F ZINC000876871456 590251818 /nfs/dbraw/zinc/25/18/18/590251818.db2.gz SMKIUWKUPNUSOK-MRVPVSSYSA-N 1 0 234.221 0.796 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCn1cccn1 ZINC000876877141 590252471 /nfs/dbraw/zinc/25/24/71/590252471.db2.gz OCECJEAWZKWNTL-VIFPVBQESA-N 1 0 242.710 0.469 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1O ZINC000876881721 590252988 /nfs/dbraw/zinc/25/29/88/590252988.db2.gz NMVOEYNFXHMXER-GUBZILKMSA-N 1 0 246.738 0.876 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(C)C ZINC000876888669 590254544 /nfs/dbraw/zinc/25/45/44/590254544.db2.gz UQBRGLSUKKRBCV-YUMQZZPRSA-N 1 0 247.726 0.049 20 30 BCEDRO C#CCNC(=O)c1c(C)cnn1[C@H]1CCC[NH2+]C1 ZINC000876944130 590259397 /nfs/dbraw/zinc/25/93/97/590259397.db2.gz ZSFTUEXINNTONT-NSHDSACASA-N 1 0 246.314 0.479 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000876940716 590259420 /nfs/dbraw/zinc/25/94/20/590259420.db2.gz ZIUNXYOMTNKGTO-CIUDSAMLSA-N 1 0 232.711 0.750 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CO)C1CCC1 ZINC000876959249 590261501 /nfs/dbraw/zinc/26/15/01/590261501.db2.gz QVTCHAPKRJJZDV-UWVGGRQHSA-N 1 0 246.738 0.734 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC/C=C/CO ZINC000876962004 590261581 /nfs/dbraw/zinc/26/15/81/590261581.db2.gz YDNODVZNAYMNPU-SGJFDWMWSA-N 1 0 218.684 0.121 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876968904 590262695 /nfs/dbraw/zinc/26/26/95/590262695.db2.gz UWUVWXOAWNNWJV-QWRGUYRKSA-N 1 0 244.310 0.643 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876974732 590263701 /nfs/dbraw/zinc/26/37/01/590263701.db2.gz QZYMKNCYSLHPEV-ZJUUUORDSA-N 1 0 230.283 0.253 20 30 BCEDRO [NH3+][C@]12CCC[C@H]1CN(C(=O)C#CC1CC1)C2 ZINC000876984030 590264716 /nfs/dbraw/zinc/26/47/16/590264716.db2.gz CWHAELBYOFBUDZ-AAEUAGOBSA-N 1 0 218.300 0.740 20 30 BCEDRO CCS(=O)(=O)CC[NH2+]C[C@H](C)CCC#N ZINC000877005924 590268431 /nfs/dbraw/zinc/26/84/31/590268431.db2.gz NOKBUNHPJJYVJE-SNVBAGLBSA-N 1 0 232.349 0.951 20 30 BCEDRO C=CCCCC(=O)NC1(C[NH3+])CCOCC1 ZINC000877045226 590274057 /nfs/dbraw/zinc/27/40/57/590274057.db2.gz SMCISBSAXRUHNW-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO CN(CCOCC[NH3+])C(=O)C#CC(C)(C)C ZINC000877057098 590275889 /nfs/dbraw/zinc/27/58/89/590275889.db2.gz UHLRAPJSKZNSKL-UHFFFAOYSA-N 1 0 226.320 0.470 20 30 BCEDRO C/C=C/CNC(=O)C#CC1CC[NH2+]CC1 ZINC000877060507 590276119 /nfs/dbraw/zinc/27/61/19/590276119.db2.gz KOAGAIFRDDBUKS-NSCUHMNNSA-N 1 0 206.289 0.682 20 30 BCEDRO N#Cc1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)co1 ZINC000877168808 590295821 /nfs/dbraw/zinc/29/58/21/590295821.db2.gz UNTQSMOHCZMTLY-IUCAKERBSA-N 1 0 217.228 0.338 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]CCC[C@H]1CCO1 ZINC000877194405 590299117 /nfs/dbraw/zinc/29/91/17/590299117.db2.gz LBQAQSHSXGPFGN-NSHDSACASA-N 1 0 247.360 0.746 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@H](OC)C1CC1 ZINC000877194123 590299533 /nfs/dbraw/zinc/29/95/33/590299533.db2.gz AJRQYYFSDWBNAE-LLVKDONJSA-N 1 0 247.360 0.602 20 30 BCEDRO C[C@@H]([NH3+])CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000877197491 590299743 /nfs/dbraw/zinc/29/97/43/590299743.db2.gz SDPNMCSXCQOUBX-KXUCPTDWSA-N 1 0 209.293 0.874 20 30 BCEDRO CN(C(=O)[C@]1(F)CC[NH2+]C1)[C@H]1CCC[C@H]1C#N ZINC000877196780 590300219 /nfs/dbraw/zinc/30/02/19/590300219.db2.gz KBLOHIOJZMYKBF-NHCYSSNCSA-N 1 0 239.294 0.839 20 30 BCEDRO CN(CCc1cccc(C#N)c1)C(=O)[C@H]1CC[NH2+]1 ZINC000877224215 590301313 /nfs/dbraw/zinc/30/13/13/590301313.db2.gz VOKYUHOATVJSLY-CYBMUJFWSA-N 1 0 243.310 0.921 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CC2(CC2)C1 ZINC000877244928 590303205 /nfs/dbraw/zinc/30/32/05/590303205.db2.gz VQXCPYCSNZCEDM-MGCOHNPYSA-N 1 0 233.315 0.924 20 30 BCEDRO COc1ccc(NC(=O)CC[NH3+])cc1C#N ZINC000877270834 590304818 /nfs/dbraw/zinc/30/48/18/590304818.db2.gz LEALNKPXWRMVJZ-UHFFFAOYSA-N 1 0 219.244 0.854 20 30 BCEDRO C=CC(C)(C)CCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000877303761 590308265 /nfs/dbraw/zinc/30/82/65/590308265.db2.gz LPZBJOHNFRVNNZ-NSHDSACASA-N 1 0 241.379 0.984 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCCNC(=O)C1)[C@@H]1CCCO1 ZINC000877415748 590324939 /nfs/dbraw/zinc/32/49/39/590324939.db2.gz DYFSEQDEYJQHRI-SRVKXCTJSA-N 1 0 236.315 0.426 20 30 BCEDRO N#CCC[NH2+]C1CC(n2cc([N+](=O)[O-])cn2)C1 ZINC000877483145 590337874 /nfs/dbraw/zinc/33/78/74/590337874.db2.gz KLFFARXKUUIJCW-UHFFFAOYSA-N 1 0 235.247 0.998 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1ccc(C(=O)OC)n1C ZINC000877514475 590344443 /nfs/dbraw/zinc/34/44/43/590344443.db2.gz PBMGAEYMZGFKGO-SECBINFHSA-N 1 0 220.272 0.923 20 30 BCEDRO Cc1cc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)ccc1C#N ZINC000877749395 590412950 /nfs/dbraw/zinc/41/29/50/590412950.db2.gz JKICQCSJIYJNJG-KGLIPLIRSA-N 1 0 246.310 0.794 20 30 BCEDRO C[N@H+](CCS(N)(=O)=O)CC(C)(C)CCC#N ZINC000877826860 590429034 /nfs/dbraw/zinc/42/90/34/590429034.db2.gz IOUYGODFIJNVLX-UHFFFAOYSA-N 1 0 247.364 0.537 20 30 BCEDRO C#CCCCCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000878018545 590473190 /nfs/dbraw/zinc/47/31/90/590473190.db2.gz QFLPXQFJPRWHFO-NSHDSACASA-N 1 0 224.304 0.366 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCN(C[C@@H](C)O)CC1 ZINC000878047226 590481774 /nfs/dbraw/zinc/48/17/74/590481774.db2.gz CSSDMCVLFBBMKN-NWDGAFQWSA-N 1 0 212.337 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20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000878429153 590565840 /nfs/dbraw/zinc/56/58/40/590565840.db2.gz BKIAFIOPPMBDIL-RYUDHWBXSA-N 1 0 210.321 0.967 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1CCc2ncnn21)[C@@H]1CCCO1 ZINC000878454179 590570169 /nfs/dbraw/zinc/57/01/69/590570169.db2.gz UYYJSVJJELYJPQ-SRVKXCTJSA-N 1 0 246.314 0.536 20 30 BCEDRO C#C[C@@H]([NH2+]CCN(C#N)CC)[C@H]1CCCO1 ZINC000878454186 590570879 /nfs/dbraw/zinc/57/08/79/590570879.db2.gz VBVPNBSQMRJKKZ-VXGBXAGGSA-N 1 0 221.304 0.560 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H](O)CC(C)(C)O ZINC000878503672 590581467 /nfs/dbraw/zinc/58/14/67/590581467.db2.gz WBMLUJUQMMMYNF-NSHDSACASA-N 1 0 231.336 0.643 20 30 BCEDRO C=CC[C@@H](C(=O)OC)N1C[C@@H](OC)[C@@H](OC)C1 ZINC000878505351 590581750 /nfs/dbraw/zinc/58/17/50/590581750.db2.gz HAJXWJMBMGMXKH-GARJFASQSA-N 1 0 243.303 0.450 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)CCc1nnnn1C ZINC000878514277 590584908 /nfs/dbraw/zinc/58/49/08/590584908.db2.gz QTARZJCUWZRXGK-UHFFFAOYSA-N 1 0 207.281 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240.351 0.021 20 30 BCEDRO C[C@H](O)C[NH2+]CCNc1ncccc1C#N ZINC000127265190 590604132 /nfs/dbraw/zinc/60/41/32/590604132.db2.gz YIAGSGUZMNGABC-VIFPVBQESA-N 1 0 220.276 0.336 20 30 BCEDRO C=CC[C@H](C)[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000878769897 590620295 /nfs/dbraw/zinc/62/02/95/590620295.db2.gz KFUXGAXUFLIBHN-AXFHLTTASA-N 1 0 227.304 0.807 20 30 BCEDRO C#CCC[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000878814652 590627372 /nfs/dbraw/zinc/62/73/72/590627372.db2.gz QSDRXOIEQFMJHD-UHFFFAOYSA-N 1 0 220.276 0.855 20 30 BCEDRO C[C@@H](CC#N)NC[C@@](O)(C(N)=O)c1ccccc1 ZINC000878821499 590627673 /nfs/dbraw/zinc/62/76/73/590627673.db2.gz ZPCUSJSOTGEXFC-GWCFXTLKSA-N 1 0 247.298 0.251 20 30 BCEDRO C#CCNC(=O)CN1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC000878838768 590629640 /nfs/dbraw/zinc/62/96/40/590629640.db2.gz FSADBTKDMNWSTK-TXEJJXNPSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000878867048 590634356 /nfs/dbraw/zinc/63/43/56/590634356.db2.gz ZJOFIIDKINPASS-ZDUSSCGKSA-N 1 0 224.348 0.788 20 30 BCEDRO C#CC[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000878940542 590656374 /nfs/dbraw/zinc/65/63/74/590656374.db2.gz LQTQRTCKMRPLEX-LLVKDONJSA-N 1 0 204.277 0.938 20 30 BCEDRO C=CC[C@@H](C)[N@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000879034094 590683155 /nfs/dbraw/zinc/68/31/55/590683155.db2.gz WHGUZRZDQBHYCP-GHMZBOCLSA-N 1 0 241.335 0.581 20 30 BCEDRO C#CCCC[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879043186 590685426 /nfs/dbraw/zinc/68/54/26/590685426.db2.gz GCKMUKUFSFZPPL-NSHDSACASA-N 1 0 226.295 0.935 20 30 BCEDRO C#CCCC[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879043185 590685684 /nfs/dbraw/zinc/68/56/84/590685684.db2.gz GCKMUKUFSFZPPL-LLVKDONJSA-N 1 0 226.295 0.935 20 30 BCEDRO C=CC[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879047874 590687632 /nfs/dbraw/zinc/68/76/32/590687632.db2.gz NQAPGAKVBVWVFG-VIFPVBQESA-N 1 0 200.257 0.708 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000879062345 590688665 /nfs/dbraw/zinc/68/86/65/590688665.db2.gz SZOXRIPZHCXASU-ZJUUUORDSA-N 1 0 212.293 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227.304 0.108 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000879261288 590724947 /nfs/dbraw/zinc/72/49/47/590724947.db2.gz HUVZZRUANPGQFV-VXGBXAGGSA-N 1 0 227.304 0.108 20 30 BCEDRO C#CCOCC[NH2+][C@](C)(CC(=O)OC)C1CC1 ZINC000879443423 590771938 /nfs/dbraw/zinc/77/19/38/590771938.db2.gz MKIVIDWQUFEWRU-CYBMUJFWSA-N 1 0 239.315 0.958 20 30 BCEDRO C=C(CC)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533937 590794329 /nfs/dbraw/zinc/79/43/29/590794329.db2.gz JQAPPTQCPVZNNK-AOOOYVTPSA-N 1 0 222.288 0.499 20 30 BCEDRO CN1C(=O)[C@H]2C[N@H+](CCC(C)(C)C#N)C[C@H]2C1=O ZINC000879533895 590794364 /nfs/dbraw/zinc/79/43/64/590794364.db2.gz JDGMUUPISNERIK-AOOOYVTPSA-N 1 0 249.314 0.473 20 30 BCEDRO CN1C(=O)[C@H]2C[N@H+](CCCCC#N)C[C@H]2C1=O ZINC000879531990 590794991 /nfs/dbraw/zinc/79/49/91/590794991.db2.gz OSYFLUKBMWQGHH-AOOOYVTPSA-N 1 0 235.287 0.227 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569376 590805803 /nfs/dbraw/zinc/80/58/03/590805803.db2.gz 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/nfs/dbraw/zinc/05/23/72/591052372.db2.gz SYDVRCFTEYYZTK-VXGBXAGGSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCC1(O)CC[NH+](CC2OCCO2)CC1 ZINC000880481711 591055798 /nfs/dbraw/zinc/05/57/98/591055798.db2.gz ZBKGPDKOJUTIDQ-UHFFFAOYSA-N 1 0 225.288 0.210 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880513103 591082858 /nfs/dbraw/zinc/08/28/58/591082858.db2.gz XRHQJARSSAZYCQ-YPMHNXCESA-N 1 0 238.331 0.980 20 30 BCEDRO C#CCC[NH+]1CCC2(CC1)COCCO2 ZINC000880544431 591087427 /nfs/dbraw/zinc/08/74/27/591087427.db2.gz JJEYKFKWZFWMNG-UHFFFAOYSA-N 1 0 209.289 0.891 20 30 BCEDRO C=CCCCC[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880565105 591094935 /nfs/dbraw/zinc/09/49/35/591094935.db2.gz ICVPRTZBGHVUJS-LBPRGKRZSA-N 1 0 227.304 0.953 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880567306 591097060 /nfs/dbraw/zinc/09/70/60/591097060.db2.gz FYULFASFDNASTQ-KOLCDFICSA-N 1 0 213.277 0.561 20 30 BCEDRO CC(C)C[C@@H](C(N)=O)[N@H+](C)CCOCCC#N ZINC000880592625 591102699 /nfs/dbraw/zinc/10/26/99/591102699.db2.gz YQVAKWGWLSVECD-NSHDSACASA-N 1 0 241.335 0.748 20 30 BCEDRO C#CCOCCC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000128632225 591141933 /nfs/dbraw/zinc/14/19/33/591141933.db2.gz UBIYPZGQSZTWBM-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO C[C@H](C#N)OCCn1cc(C[NH2+]C2CC2)nn1 ZINC000881323702 591191208 /nfs/dbraw/zinc/19/12/08/591191208.db2.gz OFMYBCUVSGUTJF-SECBINFHSA-N 1 0 235.291 0.459 20 30 BCEDRO C[C@@H](C#N)OCCn1cc(C[NH2+]C2CC2)nn1 ZINC000881323703 591191245 /nfs/dbraw/zinc/19/12/45/591191245.db2.gz OFMYBCUVSGUTJF-VIFPVBQESA-N 1 0 235.291 0.459 20 30 BCEDRO C#CC1(F)CN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000881943692 591282558 /nfs/dbraw/zinc/28/25/58/591282558.db2.gz JYWSLFNWJRTFFH-VIFPVBQESA-N 1 0 210.252 0.122 20 30 BCEDRO C#CCOCCC(=O)NC[C@H]1CC[N@H+]1CC ZINC000882490072 591367074 /nfs/dbraw/zinc/36/70/74/591367074.db2.gz YAQZEBGNHPDPSN-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882492680 591373087 /nfs/dbraw/zinc/37/30/87/591373087.db2.gz BSYSXXJDCVCXSG-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000129876072 591414673 /nfs/dbraw/zinc/41/46/73/591414673.db2.gz QOEJHIPDBPMTLX-WPRPVWTQSA-N 1 0 209.293 0.874 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000882894807 591468082 /nfs/dbraw/zinc/46/80/82/591468082.db2.gz YJCMXUMKXYIFMI-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)[C@H](CC)[NH+](C)C ZINC000882896669 591469198 /nfs/dbraw/zinc/46/91/98/591469198.db2.gz OEZTZVFSJYTQHB-MNOVXSKESA-N 1 0 228.336 0.770 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C[N@@H+](CC)C1CC1 ZINC000882896987 591469267 /nfs/dbraw/zinc/46/92/67/591469267.db2.gz XLPZQLJVTIRIQI-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H](C)SC ZINC000130706164 591502983 /nfs/dbraw/zinc/50/29/83/591502983.db2.gz DOJXEMGFUCYBQU-SFYZADRCSA-N 1 0 219.354 0.677 20 30 BCEDRO CS[C@H](C)CNC(=[NH2+])N1CCOCC1 ZINC000130712722 591503870 /nfs/dbraw/zinc/50/38/70/591503870.db2.gz XPRRDFMSKBSCEU-MRVPVSSYSA-N 1 0 217.338 0.385 20 30 BCEDRO Cc1cncc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000130970966 591539041 /nfs/dbraw/zinc/53/90/41/591539041.db2.gz YSTNUJCTHGEIMO-UHFFFAOYSA-N 1 0 234.303 0.537 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc(CC)nc1 ZINC000883125424 591544185 /nfs/dbraw/zinc/54/41/85/591544185.db2.gz ITQSAHMXTRRTHX-LLVKDONJSA-N 1 0 219.288 0.513 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000883125071 591544505 /nfs/dbraw/zinc/54/45/05/591544505.db2.gz YFLNEGLGSADEFD-BDAKNGLRSA-N 1 0 240.328 0.670 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883125604 591544741 /nfs/dbraw/zinc/54/47/41/591544741.db2.gz OEXMUTZKTQEFEV-VXGBXAGGSA-N 1 0 224.348 0.833 20 30 BCEDRO C#CC1(F)CN(C(=O)N[C@H]2CCC[N@@H+](C)C2)C1 ZINC000883178310 591564144 /nfs/dbraw/zinc/56/41/44/591564144.db2.gz UKDGKOSEMTZEKC-JTQLQIEISA-N 1 0 239.294 0.447 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]Cc1nnc2n1CCNC2=O ZINC000883304086 591610468 /nfs/dbraw/zinc/61/04/68/591610468.db2.gz NEIAIZBNBWDIIG-SECBINFHSA-N 1 0 249.318 0.466 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C1CCN(C=O)CC1 ZINC000883391668 591644263 /nfs/dbraw/zinc/64/42/63/591644263.db2.gz PUWRPOXPGLZNRF-GFCCVEGCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1nccnc1OC ZINC000883400855 591648952 /nfs/dbraw/zinc/64/89/52/591648952.db2.gz WULBXQBPEFCDFC-SNVBAGLBSA-N 1 0 237.303 0.902 20 30 BCEDRO C#CCCCNC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883476023 591678067 /nfs/dbraw/zinc/67/80/67/591678067.db2.gz ZZSQTRUIQOOMMB-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883508066 591684789 /nfs/dbraw/zinc/68/47/89/591684789.db2.gz OSGRBAOOTDFEPG-NXEZZACHSA-N 1 0 211.309 0.954 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883508067 591685316 /nfs/dbraw/zinc/68/53/16/591685316.db2.gz OSGRBAOOTDFEPG-UWVGGRQHSA-N 1 0 211.309 0.954 20 30 BCEDRO N#CCc1cccc(NC(=O)N2CC[C@@H]([NH3+])C2)n1 ZINC000883587859 591695997 /nfs/dbraw/zinc/69/59/97/591695997.db2.gz UNVVIPLYFNMFDF-SECBINFHSA-N 1 0 245.286 0.713 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCc2ncn(C)n2)C1 ZINC000132394723 591705918 /nfs/dbraw/zinc/70/59/18/591705918.db2.gz ALQPCCRUALPHRT-VIFPVBQESA-N 1 0 236.323 0.362 20 30 BCEDRO C[C@@H](O)CNC(=[NH2+])NCCc1ccccc1 ZINC000132379515 591705942 /nfs/dbraw/zinc/70/59/42/591705942.db2.gz DKPOHNWLPBDETK-SNVBAGLBSA-N 1 0 221.304 0.514 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)NC[C@H](C)[NH+](C)C ZINC000883729201 591729459 /nfs/dbraw/zinc/72/94/59/591729459.db2.gz LPJVWUIUWRYJPZ-WDEREUQCSA-N 1 0 243.351 0.563 20 30 BCEDRO C=C[C@H](C)ONC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883763854 591736862 /nfs/dbraw/zinc/73/68/62/591736862.db2.gz KOOLSKDUURRWJX-UWVGGRQHSA-N 1 0 227.308 0.886 20 30 BCEDRO C[C@@H](CCO)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000133057255 591760938 /nfs/dbraw/zinc/76/09/38/591760938.db2.gz LWQAJZGCEIVBDU-GXFFZTMASA-N 1 0 234.299 0.952 20 30 BCEDRO C[C@@H](CCO)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000133056824 591761381 /nfs/dbraw/zinc/76/13/81/591761381.db2.gz LWQAJZGCEIVBDU-GWCFXTLKSA-N 1 0 234.299 0.952 20 30 BCEDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000884009264 591796552 /nfs/dbraw/zinc/79/65/52/591796552.db2.gz QUWIJCNAWXVHLO-VIFPVBQESA-N 1 0 218.260 0.320 20 30 BCEDRO N#Cc1ccc(C(=O)N2CCC[C@@H](C[NH3+])C2)[nH]1 ZINC000884016942 591800685 /nfs/dbraw/zinc/80/06/85/591800685.db2.gz IDQCMXGZZVRSDP-VIFPVBQESA-N 1 0 232.287 0.697 20 30 BCEDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884018591 591801356 /nfs/dbraw/zinc/80/13/56/591801356.db2.gz YOGHMTUABJPEDR-QMMMGPOBSA-N 1 0 218.260 0.320 20 30 BCEDRO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H]1CC[NH2+]C1 ZINC000884028261 591812861 /nfs/dbraw/zinc/81/28/61/591812861.db2.gz BRDHAYYIGDWIAN-SECBINFHSA-N 1 0 218.260 0.320 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H](C[NH3+])C2CC2)[nH]1 ZINC000884036664 591818624 /nfs/dbraw/zinc/81/86/24/591818624.db2.gz BINGKISWQRXYTI-JTQLQIEISA-N 1 0 218.260 0.353 20 30 BCEDRO CN(CC(C)(C)C[NH3+])C(=O)c1ccc(C#N)[nH]1 ZINC000884040875 591823743 /nfs/dbraw/zinc/82/37/43/591823743.db2.gz GEBYRLDREWOHNU-UHFFFAOYSA-N 1 0 234.303 0.943 20 30 BCEDRO C[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884102082 591849667 /nfs/dbraw/zinc/84/96/67/591849667.db2.gz QTISXBJVJBWHFK-JJMZSNKZSA-N 1 0 247.342 0.994 20 30 BCEDRO N#Cc1ccc(C(=O)NCC2([NH3+])CCC2)[nH]1 ZINC000884246971 591883346 /nfs/dbraw/zinc/88/33/46/591883346.db2.gz DWJOWLHTXPQSIJ-UHFFFAOYSA-N 1 0 218.260 0.498 20 30 BCEDRO COC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCCC1 ZINC000884250959 591884121 /nfs/dbraw/zinc/88/41/21/591884121.db2.gz SJKDQRJNHBRUGW-ZJUUUORDSA-N 1 0 237.303 0.173 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)N[C@H](C)C#C)C1 ZINC000884275172 591890495 /nfs/dbraw/zinc/89/04/95/591890495.db2.gz FICAFLBFUZFOKE-VXGBXAGGSA-N 1 0 233.315 0.405 20 30 BCEDRO N#Cc1ccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)[nH]1 ZINC000884276754 591891283 /nfs/dbraw/zinc/89/12/83/591891283.db2.gz ZCYOXDUZZRENPI-DTORHVGOSA-N 1 0 230.271 0.178 20 30 BCEDRO C[C@]1(C[NH3+])CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000884279934 591892463 /nfs/dbraw/zinc/89/24/63/591892463.db2.gz YHFPFPAINZFIIO-GFCCVEGCSA-N 1 0 232.287 0.697 20 30 BCEDRO C=CCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884281775 591893742 /nfs/dbraw/zinc/89/37/42/591893742.db2.gz RNIXFCIZNOWXRX-AKJDGMEZSA-N 1 0 233.315 0.770 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@](C)(CC)CC(=O)OC ZINC000134158741 591893934 /nfs/dbraw/zinc/89/39/34/591893934.db2.gz OFQDXAJOHXSKOK-LBPRGKRZSA-N 1 0 242.319 0.610 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)N[C@@H](C#C)CC)C1 ZINC000884293962 591895641 /nfs/dbraw/zinc/89/56/41/591895641.db2.gz PGHUURRVMCAYLT-STQMWFEESA-N 1 0 247.342 0.795 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@]3(CCC[NH2+]3)C2)[nH]1 ZINC000884344909 591909114 /nfs/dbraw/zinc/90/91/14/591909114.db2.gz SBEPVKJUIJIIJH-CYBMUJFWSA-N 1 0 244.298 0.854 20 30 BCEDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C1(C#N)CCC1 ZINC000884364252 591916676 /nfs/dbraw/zinc/91/66/76/591916676.db2.gz PDUWMMKBNWLWLS-RKDXNWHRSA-N 1 0 221.304 0.922 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC000884420631 591929761 /nfs/dbraw/zinc/92/97/61/591929761.db2.gz YZRVXBSYGPHUFE-SSDOTTSWSA-N 1 0 206.249 0.224 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC000884420632 591930073 /nfs/dbraw/zinc/93/00/73/591930073.db2.gz YZRVXBSYGPHUFE-ZETCQYMHSA-N 1 0 206.249 0.224 20 30 BCEDRO N#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@]3([NH3+])C2)[nH]1 ZINC000884426380 591930960 /nfs/dbraw/zinc/93/09/60/591930960.db2.gz KQVUVUDYQSWGIM-NOZJJQNGSA-N 1 0 244.298 0.840 20 30 BCEDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884430253 591931657 /nfs/dbraw/zinc/93/16/57/591931657.db2.gz JVXWPSZSEYYZDW-GFCCVEGCSA-N 1 0 246.314 0.956 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=C2CCc3cccnc32)N1 ZINC000884447604 591937596 /nfs/dbraw/zinc/93/75/96/591937596.db2.gz DHWHHSUGBWEKQL-QMMMGPOBSA-N 1 0 229.287 0.669 20 30 BCEDRO Cc1coc(C=NNC2=[NH+]C[C@H](C)N2)c1 ZINC000884447734 591937694 /nfs/dbraw/zinc/93/76/94/591937694.db2.gz HQFWBNBROSXQSE-QMMMGPOBSA-N 1 0 206.249 0.859 20 30 BCEDRO Cc1coc(C=NNC2=[NH+]C[C@@H](C)N2)c1 ZINC000884447733 591937781 /nfs/dbraw/zinc/93/77/81/591937781.db2.gz HQFWBNBROSXQSE-MRVPVSSYSA-N 1 0 206.249 0.859 20 30 BCEDRO CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000884461673 591942395 /nfs/dbraw/zinc/94/23/95/591942395.db2.gz KXMBKQNOCFYZGZ-AEJSXWLSSA-N 1 0 225.292 0.111 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCCSC1 ZINC000134824108 591952668 /nfs/dbraw/zinc/95/26/68/591952668.db2.gz QQHKNHHHUKABGI-VIFPVBQESA-N 1 0 214.334 0.774 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CCS(=O)(=O)NCC ZINC000134931042 591962101 /nfs/dbraw/zinc/96/21/01/591962101.db2.gz BUOJWDKJAFKBCS-SNVBAGLBSA-N 1 0 234.365 0.870 20 30 BCEDRO Cc1nsc(NCC[N@H+](C)CCO)c1C#N ZINC000884825140 592023756 /nfs/dbraw/zinc/02/37/56/592023756.db2.gz HGFKODUHXFAAJF-UHFFFAOYSA-N 1 0 240.332 0.659 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC(=O)CC[C@@H]1C ZINC000885083862 592049476 /nfs/dbraw/zinc/04/94/76/592049476.db2.gz XNEQDYXEQUUNGW-JTQLQIEISA-N 1 0 224.304 0.684 20 30 BCEDRO C[N@H+](CCO)C[C@H](O)CC1(C#N)CCC1 ZINC000885948777 592111256 /nfs/dbraw/zinc/11/12/56/592111256.db2.gz FGJROWWFHBUNII-SNVBAGLBSA-N 1 0 212.293 0.355 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@@H](O)C2)CCC1 ZINC000885943818 592111806 /nfs/dbraw/zinc/11/18/06/592111806.db2.gz DBCWEFHNLBPIET-VXGBXAGGSA-N 1 0 238.331 0.888 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@@H]2CO)CCC1 ZINC000885967013 592117638 /nfs/dbraw/zinc/11/76/38/592117638.db2.gz GHEVSZZPMHWABF-VXGBXAGGSA-N 1 0 238.331 0.888 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H]1C[C@@]12CCOC2 ZINC000886028796 592135850 /nfs/dbraw/zinc/13/58/50/592135850.db2.gz XHSXEMCDGRLCNB-QWHCGFSZSA-N 1 0 203.285 0.981 20 30 BCEDRO N#CCCN1CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000886090487 592146542 /nfs/dbraw/zinc/14/65/42/592146542.db2.gz ZQLQRRJLJAMYCB-KBPBESRZSA-N 1 0 249.358 0.944 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1[nH]nc(C)c1C ZINC000886120885 592157923 /nfs/dbraw/zinc/15/79/23/592157923.db2.gz PTKYBJLXZNXKHG-SNVBAGLBSA-N 1 0 207.277 0.500 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@](C)(O)C(F)F)[C@@H]1CCCO1 ZINC000886143268 592162249 /nfs/dbraw/zinc/16/22/49/592162249.db2.gz YDHACPPNWIAIFM-ATZCPNFKSA-N 1 0 233.258 0.773 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@](C)(O)C(F)F)[C@H]1CCCO1 ZINC000886143269 592162519 /nfs/dbraw/zinc/16/25/19/592162519.db2.gz YDHACPPNWIAIFM-IQJOONFLSA-N 1 0 233.258 0.773 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2ncnn2CC)C1 ZINC000886209960 592176606 /nfs/dbraw/zinc/17/66/06/592176606.db2.gz ZJZAWFAIMMCAAG-LBPRGKRZSA-N 1 0 247.346 0.485 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2nc(C)c[nH]2)C1 ZINC000886209896 592176769 /nfs/dbraw/zinc/17/67/69/592176769.db2.gz YECGBTVIYZMQER-GFCCVEGCSA-N 1 0 232.331 0.905 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ncnn2C)C1 ZINC000886209365 592176814 /nfs/dbraw/zinc/17/68/14/592176814.db2.gz KVVOTBKFQXFRGK-LLVKDONJSA-N 1 0 233.319 0.002 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000886209340 592176848 /nfs/dbraw/zinc/17/68/48/592176848.db2.gz KMFWXASCVAHDRM-CYBMUJFWSA-N 1 0 245.326 0.974 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cnnn2C)C1 ZINC000886211516 592177629 /nfs/dbraw/zinc/17/76/29/592177629.db2.gz QRKFLZJPAGYNDM-LLVKDONJSA-N 1 0 233.319 0.002 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000886213739 592178160 /nfs/dbraw/zinc/17/81/60/592178160.db2.gz ZPCVJZASNLBREI-ZDUSSCGKSA-N 1 0 232.331 0.607 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000886242864 592183939 /nfs/dbraw/zinc/18/39/39/592183939.db2.gz GYZOLWIRPQHZAQ-XYYAHUGASA-N 1 0 232.283 0.532 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1cncc(O)c1 ZINC000886273055 592194172 /nfs/dbraw/zinc/19/41/72/592194172.db2.gz KVCOTYWGOZFQRQ-UHFFFAOYSA-N 1 0 249.314 0.911 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@H+]2CC=C[C@H]2CO)CCC1 ZINC000886317960 592207628 /nfs/dbraw/zinc/20/76/28/592207628.db2.gz FZZZOVTYIRTRGN-NWDGAFQWSA-N 1 0 236.315 0.664 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@](C)(O)C(F)F)CC1 ZINC000886317849 592207769 /nfs/dbraw/zinc/20/77/69/592207769.db2.gz CDKQZWFYVBRDMD-NSHDSACASA-N 1 0 247.285 0.853 20 30 BCEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886332340 592211043 /nfs/dbraw/zinc/21/10/43/592211043.db2.gz RYUISTNZMRCDTF-TXEJJXNPSA-N 1 0 246.314 0.594 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000886353144 592215418 /nfs/dbraw/zinc/21/54/18/592215418.db2.gz CJOKIPJCPHDOTO-MNOVXSKESA-N 1 0 208.305 0.808 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCCNC(C)=O)C1 ZINC000886355927 592216388 /nfs/dbraw/zinc/21/63/88/592216388.db2.gz QDXDUDHDFIHNRO-LBPRGKRZSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000886358425 592217361 /nfs/dbraw/zinc/21/73/61/592217361.db2.gz USFYAKXIAJCKOZ-JTQLQIEISA-N 1 0 230.333 0.010 20 30 BCEDRO C#CC[C@@H]1CCN(Cc2nncn2C)C1 ZINC000886362591 592217685 /nfs/dbraw/zinc/21/76/85/592217685.db2.gz FEPXXSFWQQQDBR-SNVBAGLBSA-N 1 0 204.277 0.660 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000886364442 592218391 /nfs/dbraw/zinc/21/83/91/592218391.db2.gz ZWNAJCCKKXYJMZ-NXEZZACHSA-N 1 0 220.272 0.137 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@@H]2CCN(CC)C2=O)C1 ZINC000886365389 592219076 /nfs/dbraw/zinc/21/90/76/592219076.db2.gz HGXJJYAYVAPMOK-VXGBXAGGSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCCC(=O)NC)C1 ZINC000886365216 592219211 /nfs/dbraw/zinc/21/92/11/592219211.db2.gz CMQDQUVSOLJRHC-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCCC(=O)NC)C1 ZINC000886365215 592219774 /nfs/dbraw/zinc/21/97/74/592219774.db2.gz CMQDQUVSOLJRHC-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000886365733 592219693 /nfs/dbraw/zinc/21/96/93/592219693.db2.gz ONTOKFUQZLSLTL-GHMZBOCLSA-N 1 0 249.314 0.272 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)CC(C)(C)O)C1 ZINC000886365200 592219803 /nfs/dbraw/zinc/21/98/03/592219803.db2.gz BYAQYYJLYVEMPX-VXGBXAGGSA-N 1 0 225.332 0.854 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000886365734 592219854 /nfs/dbraw/zinc/21/98/54/592219854.db2.gz ONTOKFUQZLSLTL-MNOVXSKESA-N 1 0 249.314 0.272 20 30 BCEDRO CC#CCN1CCN(CC#CC)[C@@H](CO)C1 ZINC000886371271 592220872 /nfs/dbraw/zinc/22/08/72/592220872.db2.gz IETVBCJACVDGPA-CYBMUJFWSA-N 1 0 220.316 0.012 20 30 BCEDRO C#CCN(C(=O)CCF)C1CC[NH+](C)CC1 ZINC000886573655 592264971 /nfs/dbraw/zinc/26/49/71/592264971.db2.gz QKVPYGFFQGOSEZ-UHFFFAOYSA-N 1 0 226.295 0.902 20 30 BCEDRO C#CCN(C(=O)CSC)C1CC[NH+](C)CC1 ZINC000886587460 592269001 /nfs/dbraw/zinc/26/90/01/592269001.db2.gz XHHYOJDQHLKROL-UHFFFAOYSA-N 1 0 240.372 0.905 20 30 BCEDRO C#CCN(C(=O)C1CC1)C1CC[NH+](C)CC1 ZINC000886588980 592271433 /nfs/dbraw/zinc/27/14/33/592271433.db2.gz FTSLEVGPPXGWIY-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO N#Cc1ccc(N2CCC([NH3+])(CO)CC2)nc1 ZINC000220500897 592313215 /nfs/dbraw/zinc/31/32/15/592313215.db2.gz GXFGAXICPJBAHK-UHFFFAOYSA-N 1 0 232.287 0.243 20 30 BCEDRO C=CCC1(O)CCN(Cc2cn[nH]n2)CC1 ZINC000886778704 592319311 /nfs/dbraw/zinc/31/93/11/592319311.db2.gz PBXAUFYTRVEYFV-UHFFFAOYSA-N 1 0 222.292 0.708 20 30 BCEDRO C=CCC1(O)CC[NH+](CC2OCCO2)CC1 ZINC000886776684 592319821 /nfs/dbraw/zinc/31/98/21/592319821.db2.gz MQCNQJLSNPUANI-UHFFFAOYSA-N 1 0 227.304 0.762 20 30 BCEDRO C#CCC1(NC(=O)[C@@H]2CN(C)CCO2)CCC1 ZINC000886792571 592324598 /nfs/dbraw/zinc/32/45/98/592324598.db2.gz FQUBJAMHNHTTDH-NSHDSACASA-N 1 0 236.315 0.379 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886835666 592355806 /nfs/dbraw/zinc/35/58/06/592355806.db2.gz PGGYEIMRIJTYHP-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](CO)C1 ZINC000886882927 592383263 /nfs/dbraw/zinc/38/32/63/592383263.db2.gz KRSHLRYIYCPZEM-XYPYZODXSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000221132952 592397419 /nfs/dbraw/zinc/39/74/19/592397419.db2.gz PZFOKVAGJNKYQB-QWRGUYRKSA-N 1 0 224.304 0.093 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000221132899 592398156 /nfs/dbraw/zinc/39/81/56/592398156.db2.gz PZFOKVAGJNKYQB-MNOVXSKESA-N 1 0 224.304 0.093 20 30 BCEDRO C=CCCC[NH2+]C1(C(=O)NC)CCOCC1 ZINC000887086603 592437831 /nfs/dbraw/zinc/43/78/31/592437831.db2.gz VSAQRTPXYZFDGN-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO C#CCC1([NH2+]CCOCCOC)CCOCC1 ZINC000887122276 592445981 /nfs/dbraw/zinc/44/59/81/592445981.db2.gz QWWOLKIIIKYCMU-UHFFFAOYSA-N 1 0 241.331 0.812 20 30 BCEDRO C#CCC1([NH2+]CCCNC(C)=O)CCOCC1 ZINC000887123171 592446644 /nfs/dbraw/zinc/44/66/44/592446644.db2.gz COXGLSZCROFMBD-UHFFFAOYSA-N 1 0 238.331 0.675 20 30 BCEDRO C#CCC1([NH2+]C[C@H](COC)OC)CCOCC1 ZINC000887120942 592446735 /nfs/dbraw/zinc/44/67/35/592446735.db2.gz SAOLUHJTTWNFPA-GFCCVEGCSA-N 1 0 241.331 0.810 20 30 BCEDRO C#CCC1([NH2+]CC(=O)NC(C)C)CCOCC1 ZINC000887127082 592447758 /nfs/dbraw/zinc/44/77/58/592447758.db2.gz HMDAIZMLRAUFAJ-UHFFFAOYSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCC1([NH2+]CCC(=O)NC)CCOCC1 ZINC000887126057 592447967 /nfs/dbraw/zinc/44/79/67/592447967.db2.gz UPVDERNYMHHLAC-UHFFFAOYSA-N 1 0 224.304 0.285 20 30 BCEDRO C#CCNC(=O)N(C)C1(C[NH3+])CCCCC1 ZINC000887277424 592475044 /nfs/dbraw/zinc/47/50/44/592475044.db2.gz WOLAWBNLKYLWMK-UHFFFAOYSA-N 1 0 223.320 0.923 20 30 BCEDRO CNC(NC[C@H](CO)Cc1ccoc1)=[NH+]C ZINC000887323854 592480620 /nfs/dbraw/zinc/48/06/20/592480620.db2.gz JRHPGJAGAPTVAK-SNVBAGLBSA-N 1 0 225.292 0.225 20 30 BCEDRO CNC(NC[C@@H]1CC[C@]2(CO[C@@H](C)C2)O1)=[NH+]C ZINC000887324153 592480847 /nfs/dbraw/zinc/48/08/47/592480847.db2.gz STZSMISMNXXJPK-NHCYSSNCSA-N 1 0 241.335 0.508 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NCC2CC2)nn1 ZINC000887361576 592490846 /nfs/dbraw/zinc/49/08/46/592490846.db2.gz AYHLMUXCIJWYPP-UHFFFAOYSA-N 1 0 234.307 0.488 20 30 BCEDRO C=CCCn1cc(CC2(O)CC[NH2+]CC2)nn1 ZINC000887415790 592503648 /nfs/dbraw/zinc/50/36/48/592503648.db2.gz VWQQKJJJLLLALZ-UHFFFAOYSA-N 1 0 236.319 0.511 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000300934319 592525634 /nfs/dbraw/zinc/52/56/34/592525634.db2.gz RJOKVUREYIBADG-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CCO[C@](C)(C#N)C1 ZINC000887672685 592540027 /nfs/dbraw/zinc/54/00/27/592540027.db2.gz GPHXWWHPSCNIIV-GFCCVEGCSA-N 1 0 239.319 0.469 20 30 BCEDRO C[C@@H](C(=O)N1CCO[C@@](C)(C#N)C1)[NH+](C)C ZINC000887678493 592540586 /nfs/dbraw/zinc/54/05/86/592540586.db2.gz CVWHDGCXUVAJDU-ONGXEEELSA-N 1 0 225.292 0.078 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@@](C)(C#N)C2)C1 ZINC000887677229 592540685 /nfs/dbraw/zinc/54/06/85/592540685.db2.gz SPQAPURWTRYCAB-PWSUYJOCSA-N 1 0 237.303 0.079 20 30 BCEDRO C[C@H](C(=O)N1CCO[C@](C)(C#N)C1)[NH+](C)C ZINC000887692032 592542963 /nfs/dbraw/zinc/54/29/63/592542963.db2.gz CVWHDGCXUVAJDU-MWLCHTKSSA-N 1 0 225.292 0.078 20 30 BCEDRO C#CCNC(=O)CN1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000224013231 592549017 /nfs/dbraw/zinc/54/90/17/592549017.db2.gz UVCBHJZLLOWTPD-QWHCGFSZSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CC[C@@H]1CCN(C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000889181306 592587615 /nfs/dbraw/zinc/58/76/15/592587615.db2.gz WOYCLHZSZAIJJG-NWDGAFQWSA-N 1 0 237.347 0.991 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCC(=O)NC(C)C ZINC000104161290 592602904 /nfs/dbraw/zinc/60/29/04/592602904.db2.gz RHZSSAZEEOZBTB-UHFFFAOYSA-N 1 0 228.340 0.558 20 30 BCEDRO CC#CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000889755858 592652799 /nfs/dbraw/zinc/65/27/99/592652799.db2.gz JAKYLNQZLISSFS-RYUDHWBXSA-N 1 0 236.315 0.067 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)N(C)C[C@@H](C)C#N ZINC000890073593 592676654 /nfs/dbraw/zinc/67/66/54/592676654.db2.gz QSQKCEHYSDFNOT-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO CON=CC(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890072505 592676834 /nfs/dbraw/zinc/67/68/34/592676834.db2.gz VYOKJFNLZFWWOG-UHFFFAOYSA-N 1 0 227.308 0.467 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H]1COCC1(C)C ZINC000313022819 634438971 /nfs/dbraw/zinc/43/89/71/634438971.db2.gz DUTGZJNHLLEHQG-LBPRGKRZSA-N 1 0 224.348 0.956 20 30 BCEDRO CC[C@]1(O)CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000931475662 634502413 /nfs/dbraw/zinc/50/24/13/634502413.db2.gz LLSWZXCQOXUALE-MNOVXSKESA-N 1 0 212.293 0.498 20 30 BCEDRO CC(C)NC(=[NH2+])NCCNC(=O)c1ccco1 ZINC000104161031 634512610 /nfs/dbraw/zinc/51/26/10/634512610.db2.gz UHFYMMQPQBUTRL-UHFFFAOYSA-N 1 0 238.291 0.322 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001027473544 634526149 /nfs/dbraw/zinc/52/61/49/634526149.db2.gz NRBFMLIRJPXZCX-SNVBAGLBSA-N 1 0 249.318 0.527 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC3)[C@@H]2C1 ZINC000977671618 634556235 /nfs/dbraw/zinc/55/62/35/634556235.db2.gz NEIJBKVFRHMRKG-CNDDSTCGSA-N 1 0 218.300 0.324 20 30 BCEDRO C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC3)[C@@H]2C1 ZINC000977692728 634558069 /nfs/dbraw/zinc/55/80/69/634558069.db2.gz QUJXMHBBPRBNLZ-XYYAHUGASA-N 1 0 232.327 0.714 20 30 BCEDRO C=C(CC)CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000909387737 634589821 /nfs/dbraw/zinc/58/98/21/634589821.db2.gz PBDLJJGXMLCMHQ-UHFFFAOYSA-N 1 0 239.363 0.562 20 30 BCEDRO C=C(CC)CNC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000909387765 634590244 /nfs/dbraw/zinc/59/02/44/634590244.db2.gz PMBPGPJRJBYEDZ-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CC(C)(C)C(=O)N1CCC[N@H+](CCO)CC1 ZINC000981754531 635391709 /nfs/dbraw/zinc/39/17/09/635391709.db2.gz IGUIBPLKMBTUEB-UHFFFAOYSA-N 1 0 240.347 0.725 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2ncoc2C)C1 ZINC001010349543 635391248 /nfs/dbraw/zinc/39/12/48/635391248.db2.gz NDROPVNBMOCNOM-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO Cc1ccc(CN[C@H]2C[NH2+]CCOC2)cc1C#N ZINC000925837287 635495254 /nfs/dbraw/zinc/49/52/54/635495254.db2.gz FWZFNTQSXLDGRV-AWEZNQCLSA-N 1 0 245.326 0.945 20 30 BCEDRO C#CCN1CC[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC001010378834 635469932 /nfs/dbraw/zinc/46/99/32/635469932.db2.gz UNNJZNXHHXUVAW-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cccnn1 ZINC001028221483 635502199 /nfs/dbraw/zinc/50/21/99/635502199.db2.gz KPUKYLQCNMBJNV-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001010410387 635593764 /nfs/dbraw/zinc/59/37/64/635593764.db2.gz VORQPKKZJQPLIJ-NWDGAFQWSA-N 1 0 236.315 0.237 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2nccn2CC)C1 ZINC001022021883 631243348 /nfs/dbraw/zinc/24/33/48/631243348.db2.gz FIXJWDDJSGQJOV-PHIMTYICSA-N 1 0 248.330 0.939 20 30 BCEDRO C=CCNC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000891438334 631260875 /nfs/dbraw/zinc/26/08/75/631260875.db2.gz KCOOKAZCVKQMGB-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCSCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891451677 631357691 /nfs/dbraw/zinc/35/76/91/631357691.db2.gz OQTCVLWRGUIGNQ-MGCOHNPYSA-N 1 0 243.376 0.942 20 30 BCEDRO CC(C)(C)[NH2+]CCC(=O)N1CCOC[C@H]1C#N ZINC000933559425 631407475 /nfs/dbraw/zinc/40/74/75/631407475.db2.gz LREDIBWMPYQSFI-SNVBAGLBSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001022257777 631441092 /nfs/dbraw/zinc/44/10/92/631441092.db2.gz VCPPWJANOMHKPB-KXUCPTDWSA-N 1 0 242.269 0.902 20 30 BCEDRO C[C@@]1(C#N)CN(CCn2ccnc2)CCO1 ZINC000933604550 631456305 /nfs/dbraw/zinc/45/63/05/631456305.db2.gz PREWALAHVVUNCU-LLVKDONJSA-N 1 0 220.276 0.498 20 30 BCEDRO C=CCOCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000308799249 631476299 /nfs/dbraw/zinc/47/62/99/631476299.db2.gz LXVJZJACIPMBKM-SNVBAGLBSA-N 1 0 212.293 0.433 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891764801 631479179 /nfs/dbraw/zinc/47/91/79/631479179.db2.gz MAQQKVLIZAOJGX-AOOOYVTPSA-N 1 0 227.308 0.226 20 30 BCEDRO C=CCCC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933726762 631493356 /nfs/dbraw/zinc/49/33/56/631493356.db2.gz MNZZFGRQQZXRQL-PHIMTYICSA-N 1 0 229.345 0.929 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933753114 631505218 /nfs/dbraw/zinc/50/52/18/631505218.db2.gz QJEAHRANJJIJSE-JQWIXIFHSA-N 1 0 206.289 0.597 20 30 BCEDRO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971849148 631541573 /nfs/dbraw/zinc/54/15/73/631541573.db2.gz VIGJKEIBISHIED-JTQLQIEISA-N 1 0 249.318 0.527 20 30 BCEDRO N#CCCOCC[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933899653 631547014 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ZINC001028422096 635668590 /nfs/dbraw/zinc/66/85/90/635668590.db2.gz YZBGBCUQZJHFIX-JTQLQIEISA-N 1 0 232.287 0.095 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccnn2C)C1 ZINC001028435081 635670661 /nfs/dbraw/zinc/67/06/61/635670661.db2.gz FKVACFISRUHSLJ-NSHDSACASA-N 1 0 248.330 0.658 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001028429031 635671822 /nfs/dbraw/zinc/67/18/22/635671822.db2.gz IEISUKVQXLMBKN-RYUDHWBXSA-N 1 0 238.331 0.647 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001028429028 635672007 /nfs/dbraw/zinc/67/20/07/635672007.db2.gz IEISUKVQXLMBKN-NWDGAFQWSA-N 1 0 238.331 0.647 20 30 BCEDRO C=CCCC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000926322283 631666439 /nfs/dbraw/zinc/66/64/39/631666439.db2.gz FOCOIJLYANLDKR-NSHDSACASA-N 1 0 238.331 0.837 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CO)C1CC1 ZINC000308861305 631700899 /nfs/dbraw/zinc/70/08/99/631700899.db2.gz RMVFHHGMUGYOTH-WCBMZHEXSA-N 1 0 212.293 0.038 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000934129845 631706380 /nfs/dbraw/zinc/70/63/80/631706380.db2.gz WJCMYOZZURKJSZ-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccnc2C)C1 ZINC001022626451 631735841 /nfs/dbraw/zinc/73/58/41/631735841.db2.gz NCNIDCQHRBDZII-TXEJJXNPSA-N 1 0 243.310 0.874 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000972052949 631747979 /nfs/dbraw/zinc/74/79/79/631747979.db2.gz OAZVLAPMENYXRD-LLVKDONJSA-N 1 0 246.314 0.498 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](F)CC)C1 ZINC000972091824 631764711 /nfs/dbraw/zinc/76/47/11/631764711.db2.gz ZPGZNGHUFXYUFK-MNOVXSKESA-N 1 0 226.295 0.900 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](F)CC)C1 ZINC000972091826 631765618 /nfs/dbraw/zinc/76/56/18/631765618.db2.gz ZPGZNGHUFXYUFK-WDEREUQCSA-N 1 0 226.295 0.900 20 30 BCEDRO C#CCCN1CCC[C@@H](CS(C)(=O)=O)C1 ZINC000309003085 631802771 /nfs/dbraw/zinc/80/27/71/631802771.db2.gz SLOWOSNXWGJWLO-LLVKDONJSA-N 1 0 229.345 0.766 20 30 BCEDRO COC[C@@H](O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309078488 631837116 /nfs/dbraw/zinc/83/71/16/631837116.db2.gz NEBDMBIXRAKSRZ-MXWKQRLJSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCc1nnnn1C ZINC000934459229 631847042 /nfs/dbraw/zinc/84/70/42/631847042.db2.gz BERJPIMGLZGLAQ-VIFPVBQESA-N 1 0 207.281 0.403 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](O)COCCOC ZINC000934461491 631857208 /nfs/dbraw/zinc/85/72/08/631857208.db2.gz YJQDRRWXLABUIP-NEPJUHHUSA-N 1 0 229.320 0.661 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001022736322 631858849 /nfs/dbraw/zinc/85/88/49/631858849.db2.gz RTSVVTGUBMHLED-XQHKEYJVSA-N 1 0 248.326 0.448 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000934461848 631859046 /nfs/dbraw/zinc/85/90/46/631859046.db2.gz NZYBSWDZEDTDCX-NWDGAFQWSA-N 1 0 241.331 0.539 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1CCCS(N)(=O)=O ZINC000934512176 631894630 /nfs/dbraw/zinc/89/46/30/631894630.db2.gz FKJKGHLUPYBZBW-SNVBAGLBSA-N 1 0 230.333 0.153 20 30 BCEDRO C#C[C@H]1CCCCN1CCS(=O)(=O)NC ZINC000934515015 631896491 /nfs/dbraw/zinc/89/64/91/631896491.db2.gz FIQPFZLMPNCMLQ-JTQLQIEISA-N 1 0 230.333 0.023 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1C[C@H]1CNC(=O)C1 ZINC000934515061 631896944 /nfs/dbraw/zinc/89/69/44/631896944.db2.gz GKKPLKOWLVVSIB-GHMZBOCLSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC)n2)C1 ZINC001022806191 631964853 /nfs/dbraw/zinc/96/48/53/631964853.db2.gz ANPRGTUITPTCBY-PHIMTYICSA-N 1 0 248.330 0.939 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001022832915 631978157 /nfs/dbraw/zinc/97/81/57/631978157.db2.gz ROIOJPPSQAKLDK-AOOOYVTPSA-N 1 0 234.303 0.755 20 30 BCEDRO COCCNC(=[NH2+])NCCCOCC1CC1 ZINC000161471620 632045539 /nfs/dbraw/zinc/04/55/39/632045539.db2.gz DRHODQALXDVTAZ-UHFFFAOYSA-N 1 0 229.324 0.354 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@]23C[C@H]2COC3)CC1 ZINC000894187138 635745174 /nfs/dbraw/zinc/74/51/74/635745174.db2.gz HNWXHUNNDYHKQS-JSGCOSHPSA-N 1 0 248.326 0.237 20 30 BCEDRO C[NH+]=C(NCC(F)F)N(C)C[C@@H]1CCOC1 ZINC000156096072 632122647 /nfs/dbraw/zinc/12/26/47/632122647.db2.gz OGSVETCIZUEVSC-QMMMGPOBSA-N 1 0 235.278 0.795 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)NCCC#N ZINC000426438110 635718519 /nfs/dbraw/zinc/71/85/19/635718519.db2.gz RGPYAFMIROSACA-SECBINFHSA-N 1 0 212.297 0.539 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926488858 632129061 /nfs/dbraw/zinc/12/90/61/632129061.db2.gz AUJVTNOAXWCFLS-LLVKDONJSA-N 1 0 237.347 0.056 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccn2CC)C1 ZINC001023092866 632131847 /nfs/dbraw/zinc/13/18/47/632131847.db2.gz IDTMRXWQKGVYQN-TXEJJXNPSA-N 1 0 245.326 0.992 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ccsn2)C1 ZINC001028621526 635759916 /nfs/dbraw/zinc/75/99/16/635759916.db2.gz PGJULCDEIOEXNG-SNVBAGLBSA-N 1 0 249.339 0.828 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCO[C@H]1C1CC1 ZINC000928055121 635807148 /nfs/dbraw/zinc/80/71/48/635807148.db2.gz WRTCWIZLLVFJCE-NEPJUHHUSA-N 1 0 238.331 0.788 20 30 BCEDRO N#CCCNC(=O)C[N@H+]1CCCCC[C@H]1CO ZINC000157010571 632411298 /nfs/dbraw/zinc/41/12/98/632411298.db2.gz YVBVMQFGBPBMMB-NSHDSACASA-N 1 0 239.319 0.253 20 30 BCEDRO CC(C)SCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000309507678 632434622 /nfs/dbraw/zinc/43/46/22/632434622.db2.gz NWQFYVSNGPLBSN-DTWKUNHWSA-N 1 0 227.333 0.356 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](CO)[C@@H]1C ZINC000840561972 632463874 /nfs/dbraw/zinc/46/38/74/632463874.db2.gz ZGKSQOXYNNQQDX-NWDGAFQWSA-N 1 0 240.347 0.724 20 30 BCEDRO C#C[C@H]([NH2+]CCn1ccnc1)[C@@H]1CCCO1 ZINC000309533057 632473665 /nfs/dbraw/zinc/47/36/65/632473665.db2.gz DMAPIIHQQNXYLG-RYUDHWBXSA-N 1 0 219.288 0.654 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC000972598697 632506821 /nfs/dbraw/zinc/50/68/21/632506821.db2.gz PEFPUEWVCUPDJX-LLVKDONJSA-N 1 0 246.314 0.809 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2nccs2)C1 ZINC000972600503 632514171 /nfs/dbraw/zinc/51/41/71/632514171.db2.gz BWRHPRCCRAQJSJ-JTQLQIEISA-N 1 0 249.339 0.923 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)c2cnon2)C1 ZINC001023661768 632555955 /nfs/dbraw/zinc/55/59/55/632555955.db2.gz CSPYVICYHKBDOT-SNVBAGLBSA-N 1 0 248.286 0.145 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2cnon2)C1 ZINC001023661765 632556638 /nfs/dbraw/zinc/55/66/38/632556638.db2.gz CSPYVICYHKBDOT-JTQLQIEISA-N 1 0 248.286 0.145 20 30 BCEDRO C#C[C@H](CC)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000229513620 632570274 /nfs/dbraw/zinc/57/02/74/632570274.db2.gz MTKRZJMMIZBLDD-SNVBAGLBSA-N 1 0 244.360 0.412 20 30 BCEDRO CC[NH2+]C[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001023895383 632629933 /nfs/dbraw/zinc/62/99/33/632629933.db2.gz NSPQRKPPBCABDT-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@@H](CC#N)N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056093 632631458 /nfs/dbraw/zinc/63/14/58/632631458.db2.gz COWXHBCUNLZFFY-NWDGAFQWSA-N 1 0 225.336 0.677 20 30 BCEDRO CNC(=O)[C@H]1CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000310303019 632716311 /nfs/dbraw/zinc/71/63/11/632716311.db2.gz PHXCQMMMHOBDNI-QWRGUYRKSA-N 1 0 239.319 0.373 20 30 BCEDRO CCC[N@H+](CC)CCNC(=O)NCC#CCO ZINC000923776979 632766413 /nfs/dbraw/zinc/76/64/13/632766413.db2.gz GHHAIRVTWSGIDZ-UHFFFAOYSA-N 1 0 241.335 0.013 20 30 BCEDRO COCCNC(=[NH2+])NCCCCCC(=O)OC ZINC000066245538 632861854 /nfs/dbraw/zinc/86/18/54/632861854.db2.gz WOTMMTGCQLKVQW-UHFFFAOYSA-N 1 0 245.323 0.271 20 30 BCEDRO CC[C@](C)(O)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000066245961 632862127 /nfs/dbraw/zinc/86/21/27/632862127.db2.gz LQUMTVXDZRKNSP-ONGXEEELSA-N 1 0 229.324 0.231 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892547777 632957996 /nfs/dbraw/zinc/95/79/96/632957996.db2.gz DDSSWXHHDLHNOL-UMNHJUIQSA-N 1 0 236.319 0.669 20 30 BCEDRO C#CCCCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000229685475 632987039 /nfs/dbraw/zinc/98/70/39/632987039.db2.gz FLXOLOCIUOKPAJ-ZDUSSCGKSA-N 1 0 240.347 0.073 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892588599 632992029 /nfs/dbraw/zinc/99/20/29/632992029.db2.gz FXMFZYWLJKESRB-YFKTTZPYSA-N 1 0 235.331 0.838 20 30 BCEDRO C#CCCC[NH2+]C[C@H](O)COCCOC ZINC000229837103 632992808 /nfs/dbraw/zinc/99/28/08/632992808.db2.gz NZQFRUGEADGSFM-NSHDSACASA-N 1 0 215.293 0.013 20 30 BCEDRO C[C@@]1(CNC(=[NH2+])N2CCSCC2)CCCO1 ZINC000151244087 635884802 /nfs/dbraw/zinc/88/48/02/635884802.db2.gz VYUBNQLUILPEMA-NSHDSACASA-N 1 0 243.376 0.919 20 30 BCEDRO C#CCCCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000841860901 635896950 /nfs/dbraw/zinc/89/69/50/635896950.db2.gz QSBZFJJOIXMDAH-JTQLQIEISA-N 1 0 209.293 0.451 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928427606 635904354 /nfs/dbraw/zinc/90/43/54/635904354.db2.gz KDWZSCIJTADEMA-NWDGAFQWSA-N 1 0 239.363 0.703 20 30 BCEDRO C#CCOc1ccc(C=NNC(N)=[NH2+])cc1 ZINC000003765018 633101536 /nfs/dbraw/zinc/10/15/36/633101536.db2.gz UZMRHQFKPUGAGP-UHFFFAOYSA-N 1 0 216.244 0.516 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCC2(F)F)C1 ZINC001019019094 633154151 /nfs/dbraw/zinc/15/41/51/633154151.db2.gz SITPQYRMCTZXBC-VHSXEESVSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CCOCC[N@@H+](CCC)CC(=O)NCCC ZINC000851730804 633172769 /nfs/dbraw/zinc/17/27/69/633172769.db2.gz GRNVCLLZWZAESE-UHFFFAOYSA-N 1 0 240.347 0.874 20 30 BCEDRO CC[C@](C)(O)CNC(=[NH2+])N1CCCCC1 ZINC000170912780 633176805 /nfs/dbraw/zinc/17/68/05/633176805.db2.gz ZXRJYPAWYKWHGI-NSHDSACASA-N 1 0 213.325 0.948 20 30 BCEDRO CCNC(=[NH2+])NCCOc1ccc(OC)cc1 ZINC000170908815 633177224 /nfs/dbraw/zinc/17/72/24/633177224.db2.gz HEJZDPIAHHMCCK-UHFFFAOYSA-N 1 0 237.303 0.998 20 30 BCEDRO CC[C@@](C)(O)CNC(=[NH2+])N1CCCCC1 ZINC000170912781 633177313 /nfs/dbraw/zinc/17/73/13/633177313.db2.gz ZXRJYPAWYKWHGI-LLVKDONJSA-N 1 0 213.325 0.948 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000926838366 633191204 /nfs/dbraw/zinc/19/12/04/633191204.db2.gz DJFVQFWQXFDARA-QWRGUYRKSA-N 1 0 243.351 0.827 20 30 BCEDRO C[NH+]=C(NCC1CCOCC1)NC1CC1 ZINC000171410967 633195046 /nfs/dbraw/zinc/19/50/46/633195046.db2.gz IXCIXMRQJZLBST-UHFFFAOYSA-N 1 0 211.309 0.740 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)c2cnccc2C#N)CC[N@@H+]1C ZINC000928433433 635927283 /nfs/dbraw/zinc/92/72/83/635927283.db2.gz DVOJVPHWAPMQEF-CABZTGNLSA-N 1 0 244.298 0.776 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)n2C)CC[N@@H+]1C ZINC000928434331 635927593 /nfs/dbraw/zinc/92/75/93/635927593.db2.gz PIQDJWHFMAPBSM-MWLCHTKSSA-N 1 0 246.314 0.719 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)n2C)CC[N@@H+]1C ZINC000928434330 635928088 /nfs/dbraw/zinc/92/80/88/635928088.db2.gz PIQDJWHFMAPBSM-KOLCDFICSA-N 1 0 246.314 0.719 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000309753018 633236979 /nfs/dbraw/zinc/23/69/79/633236979.db2.gz BHJDWMTZXNVAIU-WOPDTQHZSA-N 1 0 225.336 0.939 20 30 BCEDRO C#CC[C@@H](NCC1CC[NH+](C)CC1)C(=O)OC ZINC000894854347 635953254 /nfs/dbraw/zinc/95/32/54/635953254.db2.gz HUNHLUIEMLHNJT-GFCCVEGCSA-N 1 0 238.331 0.483 20 30 BCEDRO CS/C=C/C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000306501348 635967886 /nfs/dbraw/zinc/96/78/86/635967886.db2.gz CIHQQVBHASLNHH-YEMZYZDBSA-N 1 0 211.290 0.091 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)CC1(O)CCOCC1 ZINC000310202350 636005325 /nfs/dbraw/zinc/00/53/25/636005325.db2.gz AIAFSEISKZCQKG-LLVKDONJSA-N 1 0 242.319 0.388 20 30 BCEDRO CON(C)C(=O)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000895042328 636019298 /nfs/dbraw/zinc/01/92/98/636019298.db2.gz FPXVVAPWMYDVGK-UHFFFAOYSA-N 1 0 247.298 0.976 20 30 BCEDRO CNC(NCC(C)(C)C(C)(C)O)=[NH+]C ZINC000307092993 635982239 /nfs/dbraw/zinc/98/22/39/635982239.db2.gz ZPTNSZAMSYQWRV-UHFFFAOYSA-N 1 0 201.314 0.578 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000895102654 636057127 /nfs/dbraw/zinc/05/71/27/636057127.db2.gz DKHQARZGWYQNLP-QJPTWQEYSA-N 1 0 239.315 0.692 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928557964 636097459 /nfs/dbraw/zinc/09/74/59/636097459.db2.gz VSURWDPRSGTVOT-KOLCDFICSA-N 1 0 212.293 0.134 20 30 BCEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)CO1 ZINC000895156610 636098498 /nfs/dbraw/zinc/09/84/98/636098498.db2.gz DYZNKAARVPXSCI-IWSPIJDZSA-N 1 0 214.265 0.134 20 30 BCEDRO C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@H]1CCCCO1 ZINC000895158163 636100749 /nfs/dbraw/zinc/10/07/49/636100749.db2.gz XODNPFUEKRVTFB-GARJFASQSA-N 1 0 242.319 0.914 20 30 BCEDRO O=C1[C@H]([NH2+]CC2=CCCOC2)CCCN1O ZINC000895167210 636112808 /nfs/dbraw/zinc/11/28/08/636112808.db2.gz VQBOPZGJZRSPRW-SNVBAGLBSA-N 1 0 226.276 0.303 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C ZINC001025665053 633740470 /nfs/dbraw/zinc/74/04/70/633740470.db2.gz ZFILAJRWJKSJFL-OBPIAQAESA-N 1 0 232.327 0.712 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@H](C)COC ZINC000328193631 633743607 /nfs/dbraw/zinc/74/36/07/633743607.db2.gz QTBYTNVAHZGTRY-LBPRGKRZSA-N 1 0 212.337 0.814 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1OCC ZINC001025689071 633746026 /nfs/dbraw/zinc/74/60/26/633746026.db2.gz LONPRKXBLOEZRY-KIJLLGNVSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(C)C1 ZINC001025731667 633755088 /nfs/dbraw/zinc/75/50/88/633755088.db2.gz VQWTXAKOVPMIFS-NGEZQELSSA-N 1 0 232.327 0.712 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CCCCO ZINC000309802603 633756197 /nfs/dbraw/zinc/75/61/97/633756197.db2.gz WVKGZXCKHARWCK-NSHDSACASA-N 1 0 249.376 0.728 20 30 BCEDRO C[C@H](C#N)OC(=O)COC1CC[NH+](C)CC1 ZINC000923789982 633758776 /nfs/dbraw/zinc/75/87/76/633758776.db2.gz XMRMGAQAFCVSGZ-SECBINFHSA-N 1 0 226.276 0.552 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2C)C1 ZINC001019957537 633802885 /nfs/dbraw/zinc/80/28/85/633802885.db2.gz MHZOJKMVLMZKCC-XWLWVQCSSA-N 1 0 206.289 0.512 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2scnc2C)C1 ZINC001020002376 633804160 /nfs/dbraw/zinc/80/41/60/633804160.db2.gz KJKXMXJVYOOQKL-MGCOHNPYSA-N 1 0 249.339 0.935 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC001020105270 633809693 /nfs/dbraw/zinc/80/96/93/633809693.db2.gz VJAHHQJWVHDMBE-HAQNSBGRSA-N 1 0 246.314 0.821 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CO[C@H](C)C2)C1 ZINC001020318244 633814791 /nfs/dbraw/zinc/81/47/91/633814791.db2.gz HUOSELRBNUGMCX-DDHJBXDOSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H](C)CO1 ZINC001025906416 633818229 /nfs/dbraw/zinc/81/82/29/633818229.db2.gz NGOUGVGQAKGQTI-KIJLLGNVSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CCCC[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893091570 633829152 /nfs/dbraw/zinc/82/91/52/633829152.db2.gz DPBHBXYVUJDGMQ-MNOVXSKESA-N 1 0 229.345 0.813 20 30 BCEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@H](O)CC#N ZINC000930481817 633844404 /nfs/dbraw/zinc/84/44/04/633844404.db2.gz WVWCXVDHFYVGSP-UPJWGTAASA-N 1 0 237.347 0.820 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@@H]1C ZINC001026123082 633852146 /nfs/dbraw/zinc/85/21/46/633852146.db2.gz BXQSHNRGEVVLRW-FHUSYTEZSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC)C[C@H]21 ZINC001026160115 633858872 /nfs/dbraw/zinc/85/88/72/633858872.db2.gz VZSYEQKFUIBJEN-QJPTWQEYSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)COC)C[C@H]12 ZINC001026159726 633862840 /nfs/dbraw/zinc/86/28/40/633862840.db2.gz OPMGERFPHLRKRY-GRYCIOLGSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC3)C[C@@H]21 ZINC001026163845 633867279 /nfs/dbraw/zinc/86/72/79/633867279.db2.gz SCBIVACZDIKVIX-RWMBFGLXSA-N 1 0 232.327 0.856 20 30 BCEDRO CCOC(=O)C[C@@H](C)CNC(=[NH2+])N(C)C1CC1 ZINC000181484614 633916877 /nfs/dbraw/zinc/91/68/77/633916877.db2.gz VTYXBRZRCATEQY-SECBINFHSA-N 1 0 241.335 0.985 20 30 BCEDRO CC1(C)C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000309503687 633937530 /nfs/dbraw/zinc/93/75/30/633937530.db2.gz MJAZGLPRDXQYGZ-IWSPIJDZSA-N 1 0 207.277 0.260 20 30 BCEDRO CC1(C)C[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000309503688 633937982 /nfs/dbraw/zinc/93/79/82/633937982.db2.gz MJAZGLPRDXQYGZ-YIZRAAEISA-N 1 0 207.277 0.260 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000895489367 636150084 /nfs/dbraw/zinc/15/00/84/636150084.db2.gz BHEUGARTOHMKBC-NWDGAFQWSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cn2cccnc2n1 ZINC000895490146 636151171 /nfs/dbraw/zinc/15/11/71/636151171.db2.gz NBWRRVHVXOUXBV-JTQLQIEISA-N 1 0 230.271 0.203 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000895489996 636151461 /nfs/dbraw/zinc/15/14/61/636151461.db2.gz JATYJWPJTBRHIV-HBNTYKKESA-N 1 0 225.288 0.302 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(C#N)n1 ZINC000895490143 636151849 /nfs/dbraw/zinc/15/18/49/636151849.db2.gz MXXAMDWZYAKJKX-LBPRGKRZSA-N 1 0 215.256 0.427 20 30 BCEDRO CCN(C[C@@H](O)C[NH+]1CCCC1)C[C@H](C)C#N ZINC000309983037 634026246 /nfs/dbraw/zinc/02/62/46/634026246.db2.gz PLHDTWKNPCNJKJ-CHWSQXEVSA-N 1 0 239.363 0.925 20 30 BCEDRO CCCCNC(=[NH2+])N[C@@H]1C[C@@H](O)C1(C)C ZINC000186873204 634087886 /nfs/dbraw/zinc/08/78/86/634087886.db2.gz BZFYYTNKZIAAKJ-RKDXNWHRSA-N 1 0 213.325 0.850 20 30 BCEDRO CC[C@@H](CO)NC(=[NH2+])N1CCCCCC1 ZINC000187139802 634097161 /nfs/dbraw/zinc/09/71/61/634097161.db2.gz GYEGQCUYBCHTIF-JTQLQIEISA-N 1 0 213.325 0.948 20 30 BCEDRO CC[C@@H](CO)NC(=[NH2+])NCCC(C)C ZINC000187141210 634097401 /nfs/dbraw/zinc/09/74/01/634097401.db2.gz JBYZEQKUHUYQJS-VIFPVBQESA-N 1 0 201.314 0.708 20 30 BCEDRO CC[C@H](CO)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000310037521 634100508 /nfs/dbraw/zinc/10/05/08/634100508.db2.gz VFFRYCJNICNBON-VHSXEESVSA-N 1 0 227.308 0.107 20 30 BCEDRO C=CCSCCN[C@H]1C[NH2+]CCOC1 ZINC000925591523 634105915 /nfs/dbraw/zinc/10/59/15/634105915.db2.gz QRJSVHKAUCSWJS-JTQLQIEISA-N 1 0 216.350 0.484 20 30 BCEDRO COC/C(C)=C\C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000930818739 634115111 /nfs/dbraw/zinc/11/51/11/634115111.db2.gz MXJKUAFLWGFTDI-CTPBAPBTSA-N 1 0 224.304 0.930 20 30 BCEDRO COC/C(C)=C/C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000930818740 634115192 /nfs/dbraw/zinc/11/51/92/634115192.db2.gz MXJKUAFLWGFTDI-JPOQUURFSA-N 1 0 224.304 0.930 20 30 BCEDRO COC/C(C)=C\C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000930818741 634116551 /nfs/dbraw/zinc/11/65/51/634116551.db2.gz MXJKUAFLWGFTDI-LCKPPEIMSA-N 1 0 224.304 0.930 20 30 BCEDRO N#Cc1cccc(CN[C@@H]2C[NH2+]CCOC2)c1 ZINC000925608106 634142140 /nfs/dbraw/zinc/14/21/40/634142140.db2.gz YVDURYROJIBKNZ-CYBMUJFWSA-N 1 0 231.299 0.636 20 30 BCEDRO C#CC[NH2+]C1CCC(NC(=O)c2cnon2)CC1 ZINC001026580221 634220710 /nfs/dbraw/zinc/22/07/10/634220710.db2.gz NSNCOTCGALLYMS-UHFFFAOYSA-N 1 0 248.286 0.333 20 30 BCEDRO C=CCCOCC[NH2+]CCS(C)(=O)=O ZINC000053584867 634254614 /nfs/dbraw/zinc/25/46/14/634254614.db2.gz SEADZMGGDLWRII-UHFFFAOYSA-N 1 0 221.322 0.213 20 30 BCEDRO CNC(NC[C@H](C)NC(=O)OC(C)(C)C)=[NH+]C ZINC000195165683 634353513 /nfs/dbraw/zinc/35/35/13/634353513.db2.gz NOHGRMUMAUANGF-QMMMGPOBSA-N 1 0 244.339 0.694 20 30 BCEDRO N#CCc1cccc2c1CC[N@@H+](C[C@H](O)CO)C2 ZINC000931332369 634354112 /nfs/dbraw/zinc/35/41/12/634354112.db2.gz DTWGHQFLLVFSPN-ZDUSSCGKSA-N 1 0 246.310 0.464 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C1CCN(OC)CC1 ZINC000925697480 634359873 /nfs/dbraw/zinc/35/98/73/634359873.db2.gz OIQMENXROXNHSA-LLVKDONJSA-N 1 0 228.336 0.786 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnon3)[C@@H]2C1 ZINC000978884774 635112371 /nfs/dbraw/zinc/11/23/71/635112371.db2.gz FOJHKPJIVCZNBW-OWUUHHOZSA-N 1 0 248.286 0.163 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnccn1 ZINC001027731222 635128254 /nfs/dbraw/zinc/12/82/54/635128254.db2.gz HQRXQNGEJKOTNN-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001027735956 635130519 /nfs/dbraw/zinc/13/05/19/635130519.db2.gz BOGWTULXTSWSRM-NWDGAFQWSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001027737596 635130790 /nfs/dbraw/zinc/13/07/90/635130790.db2.gz RZDLPKQINAGLSL-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccn1C ZINC001027760175 635138299 /nfs/dbraw/zinc/13/82/99/635138299.db2.gz SJHSQCDCPVBUNE-GFCCVEGCSA-N 1 0 245.326 0.853 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001027773307 635144129 /nfs/dbraw/zinc/14/41/29/635144129.db2.gz XDYDZGVGEGZWGY-LBPRGKRZSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001027782139 635147430 /nfs/dbraw/zinc/14/74/30/635147430.db2.gz QBMCVWSXTQXVBV-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO COc1cc(F)cc(C=NNC2=[NH+]CCN2)c1 ZINC000841659804 635164219 /nfs/dbraw/zinc/16/42/19/635164219.db2.gz MJPOKASXROXRFB-UHFFFAOYSA-N 1 0 236.250 0.717 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cncnc1 ZINC001027838535 635168364 /nfs/dbraw/zinc/16/83/64/635168364.db2.gz COTPTRZGFTVBRL-LBPRGKRZSA-N 1 0 246.314 0.857 20 30 BCEDRO COc1cc(C=NNC2=[NH+]CCN2)ccc1C ZINC000841660833 635175339 /nfs/dbraw/zinc/17/53/39/635175339.db2.gz JYCODXQOPXGZJX-UHFFFAOYSA-N 1 0 232.287 0.886 20 30 BCEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001027866056 635182536 /nfs/dbraw/zinc/18/25/36/635182536.db2.gz VDBHQBDGITWFLZ-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C[C@@H](O)[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000336670161 635199441 /nfs/dbraw/zinc/19/94/41/635199441.db2.gz YKHAKWCRCVFTDT-NKWVEPMBSA-N 1 0 211.290 0.874 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001010112007 635200713 /nfs/dbraw/zinc/20/07/13/635200713.db2.gz ARRACNLSDWBCQW-NSHDSACASA-N 1 0 234.303 0.410 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000980559375 635236483 /nfs/dbraw/zinc/23/64/83/635236483.db2.gz WFKZPUJJTHOHLD-NSHDSACASA-N 1 0 246.314 0.498 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)CSC)CC1 ZINC000980674515 635256012 /nfs/dbraw/zinc/25/60/12/635256012.db2.gz AFUSNNOEDBOIRP-UHFFFAOYSA-N 1 0 240.372 0.907 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccon2)C1 ZINC000980935027 635301457 /nfs/dbraw/zinc/30/14/57/635301457.db2.gz IBRHORJZNBRNRF-GHMZBOCLSA-N 1 0 247.298 0.938 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cocn2)C1 ZINC000980948734 635304445 /nfs/dbraw/zinc/30/44/45/635304445.db2.gz HJBPOBRZOZSFBO-WDEREUQCSA-N 1 0 247.298 0.938 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000931752080 635309871 /nfs/dbraw/zinc/30/98/71/635309871.db2.gz IPOYUZHUWRUMMO-QJPTWQEYSA-N 1 0 224.304 0.762 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000981078994 635314215 /nfs/dbraw/zinc/31/42/15/635314215.db2.gz FHTJQYUHYKVBOH-GHMZBOCLSA-N 1 0 246.314 0.674 20 30 BCEDRO C=CCN1CCCN(C(=O)c2cn(C)nn2)CC1 ZINC000981099839 635318908 /nfs/dbraw/zinc/31/89/08/635318908.db2.gz NTNHKWVWCSAHQB-UHFFFAOYSA-N 1 0 249.318 0.149 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC#N ZINC000260879695 635364215 /nfs/dbraw/zinc/36/42/15/635364215.db2.gz ZNUOUGBQXROXMZ-SECBINFHSA-N 1 0 210.281 0.293 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001028529771 635722139 /nfs/dbraw/zinc/72/21/39/635722139.db2.gz HDLRKBMUZURFOS-NSHDSACASA-N 1 0 246.314 0.485 20 30 BCEDRO C#CCSCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000895874005 636179731 /nfs/dbraw/zinc/17/97/31/636179731.db2.gz DIVJEQUOJNJWGO-JTQLQIEISA-N 1 0 238.356 0.706 20 30 BCEDRO C#CCN(CC)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896844340 636230414 /nfs/dbraw/zinc/23/04/14/636230414.db2.gz KYSSADPAKMUKJI-GFCCVEGCSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CC[N@@H+](C)C1CCN(C(=O)COC)CC1 ZINC000985190061 636262961 /nfs/dbraw/zinc/26/29/61/636262961.db2.gz ZENRZMNPHHURDQ-UHFFFAOYSA-N 1 0 224.304 0.189 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCCS2)CCO1 ZINC000262447669 636265246 /nfs/dbraw/zinc/26/52/46/636265246.db2.gz JERQRIVYEZYSSE-NXEZZACHSA-N 1 0 243.376 0.917 20 30 BCEDRO C=CCONC(=O)NC[C@@H]([NH3+])C(C)C ZINC000841913989 636289689 /nfs/dbraw/zinc/28/96/89/636289689.db2.gz XHIDLECLOMLLEN-MRVPVSSYSA-N 1 0 201.270 0.387 20 30 BCEDRO C#Cc1cccc(CNC(=O)N[C@@H](C)C[NH3+])c1 ZINC000841913942 636290725 /nfs/dbraw/zinc/29/07/25/636290725.db2.gz XDWVDPUKOVENJW-JTQLQIEISA-N 1 0 231.299 0.814 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000841913944 636291508 /nfs/dbraw/zinc/29/15/08/636291508.db2.gz XGYAJLCHKMOSFJ-NXEZZACHSA-N 1 0 227.308 0.730 20 30 BCEDRO CNC(NCc1ccc(C)c(C)n1)=[NH+]C ZINC000314718670 636301011 /nfs/dbraw/zinc/30/10/11/636301011.db2.gz DYNZMPBNTCZGIK-UHFFFAOYSA-N 1 0 206.293 0.993 20 30 BCEDRO CNC(=[NH2+])N[C@H]1CCN(CC(F)(F)F)C1 ZINC000303253058 636303705 /nfs/dbraw/zinc/30/37/05/636303705.db2.gz CDVIIGJOZQWYSU-LURJTMIESA-N 1 0 224.230 0.157 20 30 BCEDRO CNC(=O)c1ccc(CNC(NC)=[NH+]C)cc1 ZINC000303266768 636306034 /nfs/dbraw/zinc/30/60/34/636306034.db2.gz WKTLPDKMFYGMNJ-UHFFFAOYSA-N 1 0 234.303 0.341 20 30 BCEDRO COCCOCCNC(=[NH2+])NCC1CCC1 ZINC000303863959 636311566 /nfs/dbraw/zinc/31/15/66/636311566.db2.gz ASXNLHIQVBLRJG-UHFFFAOYSA-N 1 0 229.324 0.354 20 30 BCEDRO COCCOCCNC(=[NH2+])NCCC(C)C ZINC000303898246 636317237 /nfs/dbraw/zinc/31/72/37/636317237.db2.gz VLAOGKGLOHPMMC-UHFFFAOYSA-N 1 0 231.340 0.600 20 30 BCEDRO CNC(NCc1ccc(C#N)cc1F)=[NH+]C ZINC000303994158 636320470 /nfs/dbraw/zinc/32/04/70/636320470.db2.gz OJQJRWUYMGNOQR-UHFFFAOYSA-N 1 0 220.251 0.992 20 30 BCEDRO COC(=O)[C@@H](C)CNC(=[NH2+])NC(C)(C)C ZINC000303990915 636320679 /nfs/dbraw/zinc/32/06/79/636320679.db2.gz ZASBIEVSTQVKOG-ZETCQYMHSA-N 1 0 215.297 0.498 20 30 BCEDRO COCCNC(=[NH2+])NCCC(F)(F)F ZINC000304338059 636322376 /nfs/dbraw/zinc/32/23/76/636322376.db2.gz SKPITYSCERCBKS-UHFFFAOYSA-N 1 0 213.203 0.490 20 30 BCEDRO COc1ccc(CNC(=[NH2+])N(C)C2CC2)cn1 ZINC000305822608 636332519 /nfs/dbraw/zinc/33/25/19/636332519.db2.gz PPJSIFYLDMGHCS-UHFFFAOYSA-N 1 0 234.303 0.999 20 30 BCEDRO [NH2+]=C(NCC[C@H]1CCCCO1)N1CCOCC1 ZINC000305823875 636333531 /nfs/dbraw/zinc/33/35/31/636333531.db2.gz BYGYLWLZMZGVDM-LLVKDONJSA-N 1 0 241.335 0.593 20 30 BCEDRO C#C[C@H]1CCCCN1c1nc(N)[nH+]c(N)n1 ZINC000897360511 636421250 /nfs/dbraw/zinc/42/12/50/636421250.db2.gz IMSDRVUBOYTCQG-ZETCQYMHSA-N 1 0 218.264 0.028 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CC2)[C@H]1C ZINC000985852638 636429914 /nfs/dbraw/zinc/42/99/14/636429914.db2.gz AJWLUVZVLVHZOP-GXSJLCMTSA-N 1 0 206.289 0.609 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)COC)[C@@H]1C ZINC000985847918 636430155 /nfs/dbraw/zinc/43/01/55/636430155.db2.gz QOHXWEKXBDTCFL-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)F)[C@@H]1C ZINC000985843685 636430380 /nfs/dbraw/zinc/43/03/80/636430380.db2.gz RABJRZJUKIMMAL-ZJUUUORDSA-N 1 0 226.295 0.947 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(C)(F)F)[C@@H]1C ZINC000985851377 636431281 /nfs/dbraw/zinc/43/12/81/636431281.db2.gz LCPWYOBNESYIJC-BDAKNGLRSA-N 1 0 230.258 0.854 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]1C ZINC000985940135 636454547 /nfs/dbraw/zinc/45/45/47/636454547.db2.gz DWWKRCUCSVKTHX-PWSUYJOCSA-N 1 0 248.330 0.799 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]1C ZINC000985940136 636454704 /nfs/dbraw/zinc/45/47/04/636454704.db2.gz DWWKRCUCSVKTHX-ZYHUDNBSSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C)on2)[C@H]1C ZINC000985958896 636456911 /nfs/dbraw/zinc/45/69/11/636456911.db2.gz NSGPDRCSHQUUMN-WDEREUQCSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2cccn2)[C@@H]1C ZINC000985968471 636458172 /nfs/dbraw/zinc/45/81/72/636458172.db2.gz FUDLDAFTWDCTTD-NEPJUHHUSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C)n[nH]2)[C@@H]1C ZINC000986012740 636467067 /nfs/dbraw/zinc/46/70/67/636467067.db2.gz VFYFDJDMKRXBOW-MNOVXSKESA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cncs2)[C@@H]1C ZINC000986016116 636471130 /nfs/dbraw/zinc/47/11/30/636471130.db2.gz FHRAGUXOXJHFPF-NXEZZACHSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)[C@H]1C ZINC000986027784 636471792 /nfs/dbraw/zinc/47/17/92/636471792.db2.gz XXWNYZOTTXCSKR-UWVGGRQHSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cocn2)[C@@H]1C ZINC000986047307 636477664 /nfs/dbraw/zinc/47/76/64/636477664.db2.gz QOGPMTHFAQPTIG-NXEZZACHSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C)n2)[C@@H]1C ZINC000986059337 636483520 /nfs/dbraw/zinc/48/35/20/636483520.db2.gz VSRQEJDXGIFKBT-KOLCDFICSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)cn2)[C@@H]1C ZINC000986148475 636532029 /nfs/dbraw/zinc/53/20/29/636532029.db2.gz BAKOSFLVGAHDRS-GHMZBOCLSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2=CCOCC2)[C@H]1C ZINC000986168301 636539603 /nfs/dbraw/zinc/53/96/03/636539603.db2.gz GAYIVCMFJUPCQU-AAEUAGOBSA-N 1 0 248.326 0.545 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(C)(C)O)[C@@H]1C ZINC000986210007 636545499 /nfs/dbraw/zinc/54/54/99/636545499.db2.gz FOFZNDKODKMDTO-MNOVXSKESA-N 1 0 240.347 0.912 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C ZINC000986230404 636547528 /nfs/dbraw/zinc/54/75/28/636547528.db2.gz IXXGSDTWIIGPDF-UWVGGRQHSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)[C@H]1C ZINC000986228251 636548286 /nfs/dbraw/zinc/54/82/86/636548286.db2.gz DNZKSLPVVOTJIO-VHSXEESVSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)[C@@H]1C ZINC000986230401 636548730 /nfs/dbraw/zinc/54/87/30/636548730.db2.gz IXXGSDTWIIGPDF-NXEZZACHSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1C ZINC000986256799 636549322 /nfs/dbraw/zinc/54/93/22/636549322.db2.gz JNDBOKPDYQFCST-ZJUUUORDSA-N 1 0 232.287 0.236 20 30 BCEDRO C[C@@H]1[C@H]([NH2+]CCF)CCN1C(=O)C#CC1CC1 ZINC000986288986 636552644 /nfs/dbraw/zinc/55/26/44/636552644.db2.gz WOTJSBJEXXUNSE-ZYHUDNBSSA-N 1 0 238.306 0.948 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)[C@H]1C ZINC000986453489 636555749 /nfs/dbraw/zinc/55/57/49/636555749.db2.gz AXDPJHVUDIVLST-DTWKUNHWSA-N 1 0 235.291 0.183 20 30 BCEDRO C#CCCC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000872203668 636574654 /nfs/dbraw/zinc/57/46/54/636574654.db2.gz MIFKWBHDXNWICI-QWHCGFSZSA-N 1 0 225.332 0.901 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c[nH]nc2C)[C@@H]1C ZINC000986634713 636580732 /nfs/dbraw/zinc/58/07/32/636580732.db2.gz NSWJLXJMZKDAJJ-PWSUYJOCSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000986663755 636583413 /nfs/dbraw/zinc/58/34/13/636583413.db2.gz LEUYJVYSFFSNIB-LBELIVKGSA-N 1 0 248.326 0.091 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]NC[C@H](C)O ZINC000872378005 636583794 /nfs/dbraw/zinc/58/37/94/636583794.db2.gz QWINMAGRNHUNJD-QMMMGPOBSA-N 1 0 208.265 0.277 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1C ZINC000987062238 636622088 /nfs/dbraw/zinc/62/20/88/636622088.db2.gz BDKFPUXLQDKSOG-JQWIXIFHSA-N 1 0 246.314 0.164 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000263168810 636635236 /nfs/dbraw/zinc/63/52/36/636635236.db2.gz RSGHLIUGEDZFOI-WDEREUQCSA-N 1 0 223.320 0.988 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2oncc2C)[C@@H]1C ZINC000987295650 636646086 /nfs/dbraw/zinc/64/60/86/636646086.db2.gz WCQRHZIIUSUGQY-MNOVXSKESA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C ZINC000987472420 636650819 /nfs/dbraw/zinc/65/08/19/636650819.db2.gz SPYBXTRNMUJMLD-GHMZBOCLSA-N 1 0 249.318 0.043 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)COC)C1 ZINC000987657050 636659471 /nfs/dbraw/zinc/65/94/71/636659471.db2.gz OULJZEVIHGCALY-VHSXEESVSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CC2)C1 ZINC000987679310 636661619 /nfs/dbraw/zinc/66/16/19/636661619.db2.gz GGERZTCGDRSOFJ-KOLCDFICSA-N 1 0 206.289 0.609 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C(F)F)C1 ZINC000987696040 636664220 /nfs/dbraw/zinc/66/42/20/636664220.db2.gz OSNVERNQKVGWHL-SFYZADRCSA-N 1 0 216.231 0.464 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccncc2)C1 ZINC000987779954 636667211 /nfs/dbraw/zinc/66/72/11/636667211.db2.gz MEJNJAHBSWMLTN-AAEUAGOBSA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(C)c2)C1 ZINC000987987911 636673788 /nfs/dbraw/zinc/67/37/88/636673788.db2.gz XIIYKWLDDUVQFZ-CMPLNLGQSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CSC)C1 ZINC000987995507 636675834 /nfs/dbraw/zinc/67/58/34/636675834.db2.gz 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637344739 /nfs/dbraw/zinc/34/47/39/637344739.db2.gz NOMNMJBKFBGENV-NWDGAFQWSA-N 1 0 241.356 0.890 20 30 BCEDRO C#CCSCC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903120351 637344999 /nfs/dbraw/zinc/34/49/99/637344999.db2.gz NOMNMJBKFBGENV-VXGBXAGGSA-N 1 0 241.356 0.890 20 30 BCEDRO C=CC(C)(C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000903598295 637375053 /nfs/dbraw/zinc/37/50/53/637375053.db2.gz LKIQKVIQRZURSV-UHFFFAOYSA-N 1 0 246.376 0.870 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903787418 637381185 /nfs/dbraw/zinc/38/11/85/637381185.db2.gz WBSWOAZLEDHWQT-MELADBBJSA-N 1 0 249.358 0.991 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000905004379 637542725 /nfs/dbraw/zinc/54/27/25/637542725.db2.gz IYTKECZHTSVLTH-SFYZADRCSA-N 1 0 249.236 0.541 20 30 BCEDRO CCN(C(=O)CNC(NC)=[NH+]C)c1ccccc1 ZINC000905032449 637554779 /nfs/dbraw/zinc/55/47/79/637554779.db2.gz LTYUFHWLFGBYFC-UHFFFAOYSA-N 1 0 248.330 0.834 20 30 BCEDRO N#Cc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 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BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnn(CCF)c2)N1 ZINC000905460668 637825256 /nfs/dbraw/zinc/82/52/56/637825256.db2.gz NOJLTJRBPMEWBF-QMMMGPOBSA-N 1 0 238.270 0.124 20 30 BCEDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000905489294 637835541 /nfs/dbraw/zinc/83/55/41/637835541.db2.gz BOYNPPXYBGQERM-GMTAPVOTSA-N 1 0 235.287 0.829 20 30 BCEDRO CN1CC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000905547429 637839569 /nfs/dbraw/zinc/83/95/69/637839569.db2.gz WXISRWDWCWRNSA-QWRGUYRKSA-N 1 0 223.320 0.335 20 30 BCEDRO C=CCNC(=S)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000905650527 637870338 /nfs/dbraw/zinc/87/03/38/637870338.db2.gz QZIGIXOMSJYBQW-RKDXNWHRSA-N 1 0 213.350 0.729 20 30 BCEDRO C[NH+](C)CCNC(=S)N1CCC[C@H](C#N)C1 ZINC000905639612 637878746 /nfs/dbraw/zinc/87/87/46/637878746.db2.gz ZACAGJBBKZXFND-SNVBAGLBSA-N 1 0 240.376 0.658 20 30 BCEDRO C[NH+](C)CCNC(=S)N1CCC[C@@H](C#N)C1 ZINC000905639611 637879054 /nfs/dbraw/zinc/87/90/54/637879054.db2.gz ZACAGJBBKZXFND-JTQLQIEISA-N 1 0 240.376 0.658 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H]2COC[C@H]2C)C1=O ZINC000905868090 637951983 /nfs/dbraw/zinc/95/19/83/637951983.db2.gz PFCCNJZKVBBXEF-VWYCJHECSA-N 1 0 224.304 0.398 20 30 BCEDRO C[C@](O)(CN1CC(CC#N)C1)C(F)F ZINC000905963544 637984287 /nfs/dbraw/zinc/98/42/87/637984287.db2.gz TYSLJXSKGFJFQB-VIFPVBQESA-N 1 0 204.220 0.848 20 30 BCEDRO C[C@H]1CC[N@@H+]1C[C@@H](O)CN(C)CCC#N ZINC000905974184 637989612 /nfs/dbraw/zinc/98/96/12/637989612.db2.gz KPKNUFTVVPFDJU-QWRGUYRKSA-N 1 0 211.309 0.287 20 30 BCEDRO N#CCC1C[NH+](C[C@H](O)CCC2(O)CCC2)C1 ZINC000905962723 638009117 /nfs/dbraw/zinc/00/91/17/638009117.db2.gz MEQLCQKDMGBBHA-GFCCVEGCSA-N 1 0 238.331 0.888 20 30 BCEDRO CC#CCCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907245303 638331416 /nfs/dbraw/zinc/33/14/16/638331416.db2.gz NBDWWFPIKKFSJE-UHFFFAOYSA-N 1 0 237.347 0.009 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[S@@](C)=O ZINC000907337237 638348440 /nfs/dbraw/zinc/34/84/40/638348440.db2.gz VARYTISAOUSXKC-MGPLVRAMSA-N 1 0 246.376 0.378 20 30 BCEDRO C#CCN(C(=O)C1CN(C)CC[N@H+](C)C1)C1CC1 ZINC000907392561 638371429 /nfs/dbraw/zinc/37/14/29/638371429.db2.gz GSONQNWZZZQNKQ-UHFFFAOYSA-N 1 0 249.358 0.104 20 30 BCEDRO C#CCN(C(=O)Cc1cnc[nH]1)C1CC1 ZINC000907393070 638371463 /nfs/dbraw/zinc/37/14/63/638371463.db2.gz JKJWFVHVTGSCIT-UHFFFAOYSA-N 1 0 203.245 0.576 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@](C)(CO)COC ZINC000907409377 638375341 /nfs/dbraw/zinc/37/53/41/638375341.db2.gz WWMMQVHUOYCNCB-LBPRGKRZSA-N 1 0 244.335 0.008 20 30 BCEDRO C#C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CCCO1 ZINC000907489493 638389017 /nfs/dbraw/zinc/38/90/17/638389017.db2.gz ZNPBMQAHIUPPNK-UTUOFQBUSA-N 1 0 238.331 0.624 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1CN(C(C)C)C1 ZINC000907519054 638401995 /nfs/dbraw/zinc/40/19/95/638401995.db2.gz GBESNELFVGNYFX-UHFFFAOYSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCCN(C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907636157 638427628 /nfs/dbraw/zinc/42/76/28/638427628.db2.gz ORPOTCZSFVIZLT-UHFFFAOYSA-N 1 0 239.363 0.514 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907718616 638456058 /nfs/dbraw/zinc/45/60/58/638456058.db2.gz PSQPXYOXAPQCKB-AAEUAGOBSA-N 1 0 238.331 0.361 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@@H](CO)C[NH+](C)C)cc1 ZINC000908201516 638610178 /nfs/dbraw/zinc/61/01/78/638610178.db2.gz PZWDJAOBNPMKPU-CYBMUJFWSA-N 1 0 246.310 0.320 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)OC1=O ZINC000908208105 638612794 /nfs/dbraw/zinc/61/27/94/638612794.db2.gz MQDILGFFJXCHJN-VHSXEESVSA-N 1 0 240.303 0.315 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)OC1=O ZINC000908208102 638612623 /nfs/dbraw/zinc/61/26/23/638612623.db2.gz MQDILGFFJXCHJN-NXEZZACHSA-N 1 0 240.303 0.315 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC1=CCCOC1 ZINC000908213517 638615276 /nfs/dbraw/zinc/61/52/76/638615276.db2.gz BFBGOFHDXLUWBF-UHFFFAOYSA-N 1 0 238.331 0.957 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CC)CC(C)=O ZINC000908383063 638678316 /nfs/dbraw/zinc/67/83/16/638678316.db2.gz FIJJUICFUPTQMV-UHFFFAOYSA-N 1 0 226.320 0.932 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1[nH]cnc1CC ZINC000908435928 638714615 /nfs/dbraw/zinc/71/46/15/638714615.db2.gz LUUMNTXMGQWPGF-UHFFFAOYSA-N 1 0 248.330 0.657 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cc1c[nH]cn1 ZINC000908437292 638715787 /nfs/dbraw/zinc/71/57/87/638715787.db2.gz MQQATSFSWMLERP-UHFFFAOYSA-N 1 0 234.303 0.024 20 30 BCEDRO C=CC(C)(C)NS(=O)(=O)CCC[NH+](C)C ZINC000908466081 638727877 /nfs/dbraw/zinc/72/78/77/638727877.db2.gz DQVQFEYLCKPNAL-UHFFFAOYSA-N 1 0 234.365 0.822 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)C(C)(C)C(N)=O ZINC000908515121 638753709 /nfs/dbraw/zinc/75/37/09/638753709.db2.gz NEIOEMRIESRLNF-UHFFFAOYSA-N 1 0 241.335 0.217 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCCOCOC ZINC000908611371 639024336 /nfs/dbraw/zinc/02/43/36/639024336.db2.gz CJZGAAQJPMHZJD-UHFFFAOYSA-N 1 0 244.335 0.621 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1Cc2cncnc2C1 ZINC000908611581 639025254 /nfs/dbraw/zinc/02/52/54/639025254.db2.gz CCTPGAFTUKKQMI-UHFFFAOYSA-N 1 0 246.314 0.827 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000908618317 639035626 /nfs/dbraw/zinc/03/56/26/639035626.db2.gz LVHBUEVJIWLBBF-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO C#C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000908618316 639036547 /nfs/dbraw/zinc/03/65/47/639036547.db2.gz LVHBUEVJIWLBBF-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CC(=O)NC ZINC000909247481 639183042 /nfs/dbraw/zinc/18/30/42/639183042.db2.gz JJQNLDAJUFPHEE-SNVBAGLBSA-N 1 0 241.335 0.135 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[N@@H+](CC)C[C@H]1C ZINC000910270110 639398212 /nfs/dbraw/zinc/39/82/12/639398212.db2.gz KAERRKUNAMCYNK-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](O)CC[C@H]1C ZINC000911190460 639592787 /nfs/dbraw/zinc/59/27/87/639592787.db2.gz GIYZYVKJICVVHL-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CN(C)C(=O)[C@H]1C ZINC000911602328 639673244 /nfs/dbraw/zinc/67/32/44/639673244.db2.gz ZXOZJUBZORLYDQ-SNVBAGLBSA-N 1 0 239.319 0.141 20 30 BCEDRO COc1cc(C#N)ccc1C(=O)NCC[NH3+] ZINC000911630106 639690333 /nfs/dbraw/zinc/69/03/33/639690333.db2.gz OXTLUXJACPDNJL-UHFFFAOYSA-N 1 0 219.244 0.255 20 30 BCEDRO Cc1ccc(C#N)cc1C(=O)NCCC[NH3+] ZINC000911647918 639701643 /nfs/dbraw/zinc/70/16/43/639701643.db2.gz JWKBITMDZBPRLH-UHFFFAOYSA-N 1 0 217.272 0.945 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000930364552 639732507 /nfs/dbraw/zinc/73/25/07/639732507.db2.gz IFIYUVBYZIKBRQ-WOPDTQHZSA-N 1 0 224.304 0.904 20 30 BCEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@@H]3C[N@@H+]2C[C@H](O)CC#N ZINC000930453531 639759729 /nfs/dbraw/zinc/75/97/29/639759729.db2.gz QEHGUCHRMYHYEK-JSAZDUPASA-N 1 0 236.315 0.616 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911707659 639761167 /nfs/dbraw/zinc/76/11/67/639761167.db2.gz PGGJVUKBCMVBEV-MWLCHTKSSA-N 1 0 212.293 0.121 20 30 BCEDRO C#CC[N@H+](Cc1ccccc1)C[C@@H](O)[C@H](C)O ZINC000930476678 639770405 /nfs/dbraw/zinc/77/04/05/639770405.db2.gz RYNKPPOGERAIGY-GXTWGEPZSA-N 1 0 233.311 0.864 20 30 BCEDRO C[NH2+]CCNC(=O)c1ccc(C#N)cc1F ZINC000911747386 639772341 /nfs/dbraw/zinc/77/23/41/639772341.db2.gz FWFGUSZDSGOQDJ-UHFFFAOYSA-N 1 0 221.235 0.647 20 30 BCEDRO CC[NH2+]CCNC(=O)c1cscc1C#N ZINC000911750423 639775778 /nfs/dbraw/zinc/77/57/78/639775778.db2.gz JDKAGGWVYDPHQR-UHFFFAOYSA-N 1 0 223.301 0.959 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000911752786 639782593 /nfs/dbraw/zinc/78/25/93/639782593.db2.gz GMYHDFCGRCYBPW-SKDRFNHKSA-N 1 0 226.320 0.509 20 30 BCEDRO CCC[C@]1(CO)CC[N@H+](C[C@H](O)CC#N)C1 ZINC000930505974 639788587 /nfs/dbraw/zinc/78/85/87/639788587.db2.gz YGRNPWLMKRQTHG-NEPJUHHUSA-N 1 0 226.320 0.745 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911764684 639792175 /nfs/dbraw/zinc/79/21/75/639792175.db2.gz OHZDKYKMSGQSCL-AAEUAGOBSA-N 1 0 234.299 0.740 20 30 BCEDRO CCNC(=O)[C@@H]([NH2+]C[C@H](O)CC#N)C(C)C ZINC000930567533 639812102 /nfs/dbraw/zinc/81/21/02/639812102.db2.gz GPONJFVGYXYTCE-ZJUUUORDSA-N 1 0 227.308 0.011 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H](O)C12CCCC2 ZINC000930571057 639812388 /nfs/dbraw/zinc/81/23/88/639812388.db2.gz JVBAKJFAKORYHW-MNOVXSKESA-N 1 0 224.304 0.640 20 30 BCEDRO C[C@@H]1CN(C[C@H](O)CC#N)C[C@H](C)[N@H+]1C ZINC000930580066 639813431 /nfs/dbraw/zinc/81/34/31/639813431.db2.gz NZPBWQUMDRXEGE-OUAUKWLOSA-N 1 0 211.309 0.285 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H](O)C1(O)CCCC1 ZINC000930587340 639814207 /nfs/dbraw/zinc/81/42/07/639814207.db2.gz APAVHWFKLILMED-LLVKDONJSA-N 1 0 211.305 0.608 20 30 BCEDRO C[C@H]1CN(C[C@H](O)CC#N)CC[N@@H+](C2CC2)C1 ZINC000930590819 639815448 /nfs/dbraw/zinc/81/54/48/639815448.db2.gz WFFQNKRFELDWPF-WCQYABFASA-N 1 0 237.347 0.677 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000930601761 639815905 /nfs/dbraw/zinc/81/59/05/639815905.db2.gz WCZWNQZOTJMZAV-NSHDSACASA-N 1 0 244.360 0.269 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1cccnn1 ZINC000930600471 639816574 /nfs/dbraw/zinc/81/65/74/639816574.db2.gz JQOLLUFMTPIAQO-GFCCVEGCSA-N 1 0 232.287 0.807 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930600066 639816872 /nfs/dbraw/zinc/81/68/72/639816872.db2.gz FMZXAKLIOWYFNP-YNEHKIRRSA-N 1 0 241.331 0.280 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000911809023 639831498 /nfs/dbraw/zinc/83/14/98/639831498.db2.gz HPQNZRPZPMVLPD-IJLUTSLNSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930639152 639837150 /nfs/dbraw/zinc/83/71/50/639837150.db2.gz LJRWKIJJVCLGMR-FHUSYTEZSA-N 1 0 239.315 0.723 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@H]([C@H](CO)C1CC1)C1CC1 ZINC000930639800 639837295 /nfs/dbraw/zinc/83/72/95/639837295.db2.gz MQUAAJFXKNGNHT-UPJWGTAASA-N 1 0 238.331 0.648 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCO[C@H]1CCOC1 ZINC000930640117 639837782 /nfs/dbraw/zinc/83/77/82/639837782.db2.gz SGLCQTNSYSQCGU-TUAOUCFPSA-N 1 0 227.304 0.725 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930639154 639838122 /nfs/dbraw/zinc/83/81/22/639838122.db2.gz LJRWKIJJVCLGMR-RXGFPQBGSA-N 1 0 239.315 0.723 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCC2(COC2)O1 ZINC000930639249 639838284 /nfs/dbraw/zinc/83/82/84/639838284.db2.gz NPGIYCAXCRPUPS-UTUOFQBUSA-N 1 0 239.315 0.868 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)C1(O)CCC1 ZINC000930646775 639842565 /nfs/dbraw/zinc/84/25/65/639842565.db2.gz QAGLJKHSZKZGDF-WOPDTQHZSA-N 1 0 241.331 0.586 20 30 BCEDRO CC1(C)C[C@@H](O)CC[N@H+](C[C@H](O)CC#N)C1 ZINC000930651505 639845733 /nfs/dbraw/zinc/84/57/33/639845733.db2.gz VIPRWKMGRYKOND-WDEREUQCSA-N 1 0 226.320 0.744 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@](CO)(COC)C1 ZINC000930656951 639848279 /nfs/dbraw/zinc/84/82/79/639848279.db2.gz DAANQNNQZZUJMF-NEPJUHHUSA-N 1 0 229.320 0.254 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000911818735 639849776 /nfs/dbraw/zinc/84/97/76/639849776.db2.gz AXSYIPHLRMZJLH-UMNHJUIQSA-N 1 0 226.320 0.509 20 30 BCEDRO CCn1cc([C@@H](C)[NH2+]C[C@H](O)CC#N)cn1 ZINC000930658254 639850505 /nfs/dbraw/zinc/85/05/05/639850505.db2.gz XVRWODZFAMCYNC-MWLCHTKSSA-N 1 0 222.292 0.828 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000930693597 639862724 /nfs/dbraw/zinc/86/27/24/639862724.db2.gz QUIDCKIXIURFRZ-ZJUUUORDSA-N 1 0 212.293 0.544 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H](C[NH3+])CCCC ZINC000911879433 639864724 /nfs/dbraw/zinc/86/47/24/639864724.db2.gz GKNPLXATHDLZJG-MWLCHTKSSA-N 1 0 214.309 0.557 20 30 BCEDRO CO[C@@H]1C[C@H]([NH2+]C[C@H](O)CC#N)C12CCC2 ZINC000930700919 639866677 /nfs/dbraw/zinc/86/66/77/639866677.db2.gz XTRNYNGBRVWULS-OUAUKWLOSA-N 1 0 224.304 0.808 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000930721152 639877032 /nfs/dbraw/zinc/87/70/32/639877032.db2.gz WSONAAHAOIJSMH-SDDRHHMPSA-N 1 0 229.320 0.301 20 30 BCEDRO C=CCNC(=O)[C@@H]1CC[NH2+][C@H]([C@@H]2CCCO2)C1 ZINC000911925935 639881966 /nfs/dbraw/zinc/88/19/66/639881966.db2.gz MBRKFBUUWMWKMN-WOPDTQHZSA-N 1 0 238.331 0.836 20 30 BCEDRO C[C@@H]1[C@@H](CO)CCC[N@@H+]1C[C@H](O)CC#N ZINC000930738643 639888053 /nfs/dbraw/zinc/88/80/53/639888053.db2.gz IULYXKFEJZCNBG-GMTAPVOTSA-N 1 0 212.293 0.354 20 30 BCEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)CO ZINC000930763994 639901994 /nfs/dbraw/zinc/90/19/94/639901994.db2.gz IKXPYOBWPFELIB-MFKMUULPSA-N 1 0 234.299 0.904 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC(COC)C1 ZINC000911965741 639911669 /nfs/dbraw/zinc/91/16/69/639911669.db2.gz QQXBRADVKUBWSW-UHFFFAOYSA-N 1 0 212.293 0.209 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000930816473 639919645 /nfs/dbraw/zinc/91/96/45/639919645.db2.gz LZQQTFQJUHNLHP-RYUDHWBXSA-N 1 0 236.315 0.884 20 30 BCEDRO C#CC1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1 ZINC000930820716 639922806 /nfs/dbraw/zinc/92/28/06/639922806.db2.gz FUCYEYLYNAGSCL-CYBMUJFWSA-N 1 0 237.343 0.998 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@H]1C ZINC000930833384 639934021 /nfs/dbraw/zinc/93/40/21/639934021.db2.gz FTVSBLZUWCAHMF-KKOKHZNYSA-N 1 0 240.347 0.911 20 30 BCEDRO C#CCNCC(=O)Nc1ccnn1CC ZINC000912052409 639937589 /nfs/dbraw/zinc/93/75/89/639937589.db2.gz XDHGHTJDEYHDHY-UHFFFAOYSA-N 1 0 206.249 0.064 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@H](C)C(=O)NCC ZINC000912092425 639943322 /nfs/dbraw/zinc/94/33/22/639943322.db2.gz WRVDMPUZASDCPT-ZJUUUORDSA-N 1 0 241.335 0.311 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)NCC ZINC000912092422 639943374 /nfs/dbraw/zinc/94/33/74/639943374.db2.gz WRVDMPUZASDCPT-NXEZZACHSA-N 1 0 241.335 0.311 20 30 BCEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]C[C@H](O)CC#N ZINC000930849005 639944932 /nfs/dbraw/zinc/94/49/32/639944932.db2.gz OCVHRJZGVNEBDE-GMTAPVOTSA-N 1 0 214.309 0.648 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC(=O)NCCC ZINC000912078699 639946643 /nfs/dbraw/zinc/94/66/43/639946643.db2.gz XBPYLJGTMBLQRE-SNVBAGLBSA-N 1 0 241.335 0.312 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C[C@H](C)O)C1CC1 ZINC000912073001 639948326 /nfs/dbraw/zinc/94/83/26/639948326.db2.gz 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226.345 0.946 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)c1cccnc1 ZINC000913024065 640279194 /nfs/dbraw/zinc/27/91/94/640279194.db2.gz RHLDPEBXQYEXKP-LBPRGKRZSA-N 1 0 249.314 0.349 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ccnc(CO)c1 ZINC000913028906 640280272 /nfs/dbraw/zinc/28/02/72/640280272.db2.gz RGJBSJLKIQSYRV-UHFFFAOYSA-N 1 0 235.287 0.630 20 30 BCEDRO C=CC[NH+]1CCC(N2C(=O)CN(C)C2=O)CC1 ZINC000348918460 640282973 /nfs/dbraw/zinc/28/29/73/640282973.db2.gz YTVUYLMJNDCMEC-UHFFFAOYSA-N 1 0 237.303 0.531 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931660571 640306315 /nfs/dbraw/zinc/30/63/15/640306315.db2.gz QCWOWAMRJGWUSO-NXEZZACHSA-N 1 0 226.320 0.428 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000931715525 640337019 /nfs/dbraw/zinc/33/70/19/640337019.db2.gz WZLMJDQOROTJKY-VXGBXAGGSA-N 1 0 223.316 0.608 20 30 BCEDRO CON=CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913279730 640345220 /nfs/dbraw/zinc/34/52/20/640345220.db2.gz WMBBAPSFXJOPLR-VXGBXAGGSA-N 1 0 239.319 0.419 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C(=C)CC[NH+](C)C ZINC000913348091 640356623 /nfs/dbraw/zinc/35/66/23/640356623.db2.gz FPWINTQHGCDHRV-GFCCVEGCSA-N 1 0 238.331 0.649 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H](CC)CO)C1=O ZINC000931771935 640365344 /nfs/dbraw/zinc/36/53/44/640365344.db2.gz IIVNUALVWUGEBB-UWVGGRQHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1nnn(C(C)C)n1 ZINC000913486218 640377418 /nfs/dbraw/zinc/37/74/18/640377418.db2.gz UPUUTMVMALLJPV-UHFFFAOYSA-N 1 0 238.295 0.310 20 30 BCEDRO C[C@@H]1CC[C@H](C(=O)NCC#CC[NH+](C)C)O1 ZINC000913523406 640379444 /nfs/dbraw/zinc/37/94/44/640379444.db2.gz ZAVPIQRZVJLIHZ-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C[C@@H]1CO[C@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913524873 640379995 /nfs/dbraw/zinc/37/99/95/640379995.db2.gz AAKKGUNECNIRQX-QWRGUYRKSA-N 1 0 224.304 0.093 20 30 BCEDRO Cc1ncc(C(=O)NCC#CC[NH+](C)C)c(C)n1 ZINC000913520102 640382365 /nfs/dbraw/zinc/38/23/65/640382365.db2.gz CNKNOPZVHBBCTD-UHFFFAOYSA-N 1 0 246.314 0.388 20 30 BCEDRO CO[C@H](C)CCC(=O)NCC#CC[NH+](C)C ZINC000913521193 640383647 /nfs/dbraw/zinc/38/36/47/640383647.db2.gz OFNFRHNCYMFKLW-LLVKDONJSA-N 1 0 226.320 0.483 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1=CCOCC1 ZINC000913521387 640383766 /nfs/dbraw/zinc/38/37/66/640383766.db2.gz XBDRHRGAKHCILU-UHFFFAOYSA-N 1 0 222.288 0.014 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000931998564 640404586 /nfs/dbraw/zinc/40/45/86/640404586.db2.gz GKDGQFMTOHLZPK-NSHDSACASA-N 1 0 225.288 0.331 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932105192 640429981 /nfs/dbraw/zinc/42/99/81/640429981.db2.gz RXTNHOJIKYLGCD-VXGBXAGGSA-N 1 0 239.315 0.767 20 30 BCEDRO CCC[C@H](O)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000932177602 640448968 /nfs/dbraw/zinc/44/89/68/640448968.db2.gz AENFUSNLJPBKHG-JTQLQIEISA-N 1 0 239.319 0.252 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)C(C)(C)OC ZINC000932367746 640500359 /nfs/dbraw/zinc/50/03/59/640500359.db2.gz QXBYIXGJCJVUQA-SECBINFHSA-N 1 0 212.293 0.139 20 30 BCEDRO C#CC[N@H+](CC(=O)N1CCNC1=O)C(C)(C)C ZINC000932464491 640538679 /nfs/dbraw/zinc/53/86/79/640538679.db2.gz COVLQWNEIRCISR-UHFFFAOYSA-N 1 0 237.303 0.272 20 30 BCEDRO C=CCOCC[N@@H+](CC)CCC(N)=O ZINC000932479490 640538767 /nfs/dbraw/zinc/53/87/67/640538767.db2.gz AYHUPXKZIHXRRT-UHFFFAOYSA-N 1 0 200.282 0.386 20 30 BCEDRO CC[N@H+](CCC(N)=O)Cc1cncc(C#N)c1 ZINC000932478004 640546002 /nfs/dbraw/zinc/54/60/02/640546002.db2.gz SJKCGBVISJXNSN-UHFFFAOYSA-N 1 0 232.287 0.651 20 30 BCEDRO C=CC[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932781084 640610039 /nfs/dbraw/zinc/61/00/39/640610039.db2.gz XXZJFGGVBNEBDH-JTQLQIEISA-N 1 0 210.277 0.993 20 30 BCEDRO C#CCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000932791731 640611293 /nfs/dbraw/zinc/61/12/93/640611293.db2.gz VXJGTBLSJYVABF-NSHDSACASA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCCNC(=O)COC1CC[NH+](C)CC1 ZINC000932792521 640611385 /nfs/dbraw/zinc/61/13/85/640611385.db2.gz YPTUAZJWVYNHHY-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C=CCCN1CC(NC(=O)Cc2cnn(C)c2)C1 ZINC001030147787 640634335 /nfs/dbraw/zinc/63/43/35/640634335.db2.gz KRACSCRPTBZORY-UHFFFAOYSA-N 1 0 248.330 0.339 20 30 BCEDRO C=C(C)CNC(=S)NCC[NH+](C)C ZINC000057758677 640635616 /nfs/dbraw/zinc/63/56/16/640635616.db2.gz RPKKYKFHOKLDFD-UHFFFAOYSA-N 1 0 201.339 0.588 20 30 BCEDRO CC#CCC[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934597 640645750 /nfs/dbraw/zinc/64/57/50/640645750.db2.gz MDNLGHUYYVPYBI-UHFFFAOYSA-N 1 0 206.289 0.882 20 30 BCEDRO C=C(Cl)CN1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932945757 640651552 /nfs/dbraw/zinc/65/15/52/640651552.db2.gz HYXMNNTYOYUBQC-MRVPVSSYSA-N 1 0 238.740 0.349 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C[C@@H]1C ZINC000947093527 640664634 /nfs/dbraw/zinc/66/46/34/640664634.db2.gz DKBFZRNOSQXPNR-CMPLNLGQSA-N 1 0 246.314 0.626 20 30 BCEDRO C[NH+]=C(NCCOC)NC[C@H]1CCCS1 ZINC000157373218 640669348 /nfs/dbraw/zinc/66/93/48/640669348.db2.gz YJVJEWGACUJDHX-SECBINFHSA-N 1 0 231.365 0.693 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCCNC(=O)[C@@H]1CC ZINC000933226661 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IZXCQEZLTMNQAV-UHFFFAOYSA-N 1 0 221.186 0.212 20 30 BCEDRO C#CCSCC[NH2+]Cc1cncnc1 ZINC000152925595 641672554 /nfs/dbraw/zinc/67/25/54/641672554.db2.gz DZZYYDSRALCELP-UHFFFAOYSA-N 1 0 207.302 0.933 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925408737 641672605 /nfs/dbraw/zinc/67/26/05/641672605.db2.gz BAFDAPKRDLEREZ-LBPRGKRZSA-N 1 0 233.315 0.359 20 30 BCEDRO CC[NH+]=C(NCCO)NC[C@]1(C)CCCS1 ZINC000159262294 641672999 /nfs/dbraw/zinc/67/29/99/641672999.db2.gz GDLQCEXLUIETKB-NSHDSACASA-N 1 0 245.392 0.820 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cnco2)C1 ZINC001015444675 641690184 /nfs/dbraw/zinc/69/01/84/641690184.db2.gz UINDUNBXJZTSOC-JTQLQIEISA-N 1 0 233.271 0.502 20 30 BCEDRO Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834510906 641727177 /nfs/dbraw/zinc/72/71/77/641727177.db2.gz GYAXCGRNGZLXPW-VXGBXAGGSA-N 1 0 229.283 0.836 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)c2ccn[nH]2)[C@@H]1C ZINC000993072614 641730202 /nfs/dbraw/zinc/73/02/02/641730202.db2.gz QRRDPJZNQFAKME-WDEREUQCSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)c2ccn[nH]2)[C@H]1C ZINC000993072611 641730527 /nfs/dbraw/zinc/73/05/27/641730527.db2.gz QRRDPJZNQFAKME-MNOVXSKESA-N 1 0 246.314 0.626 20 30 BCEDRO C=C(C)CC[NH+]1CC(NC(=O)Cc2ncc[nH]2)C1 ZINC001031144774 641733878 /nfs/dbraw/zinc/73/38/78/641733878.db2.gz ABXLDEGTXHILGR-UHFFFAOYSA-N 1 0 248.330 0.719 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925415217 641733985 /nfs/dbraw/zinc/73/39/85/641733985.db2.gz DRWMINNPDKOXTG-VHSXEESVSA-N 1 0 209.293 0.354 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C[C@@H]1C ZINC000947820055 641758697 /nfs/dbraw/zinc/75/86/97/641758697.db2.gz ILQWYVMLUCSKAP-VHSXEESVSA-N 1 0 247.302 0.021 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C[C@@H]1C ZINC000947820054 641759423 /nfs/dbraw/zinc/75/94/23/641759423.db2.gz ILQWYVMLUCSKAP-UWVGGRQHSA-N 1 0 247.302 0.021 20 30 BCEDRO Cc1cc2c(c(F)c1)NC(=O)C2=NNC(N)=[NH2+] ZINC000915048391 641794471 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LWMUOFAZNAETGL-NSHDSACASA-N 1 0 240.303 0.457 20 30 BCEDRO CC[C@@H](CO)[NH2+]CC(=O)N[C@](C)(C#N)C1CC1 ZINC000916570487 641948676 /nfs/dbraw/zinc/94/86/76/641948676.db2.gz GJQJMZKSKIGLTQ-CMPLNLGQSA-N 1 0 239.319 0.155 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000916742027 641973739 /nfs/dbraw/zinc/97/37/39/641973739.db2.gz QAYCDEMXJLJIFA-NSHDSACASA-N 1 0 246.314 0.339 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2ccccn2)C1 ZINC001031515557 642249297 /nfs/dbraw/zinc/24/92/97/642249297.db2.gz LSCMSLIJPYOJLA-UHFFFAOYSA-N 1 0 243.310 0.767 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cnccn2)C1 ZINC001031522725 642264224 /nfs/dbraw/zinc/26/42/24/642264224.db2.gz DESHNZXXWFNECV-UHFFFAOYSA-N 1 0 246.314 0.714 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001031526779 642273781 /nfs/dbraw/zinc/27/37/81/642273781.db2.gz CLHMWPNVGCACFD-JQWIXIFHSA-N 1 0 220.316 0.714 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)[C@H]2CCCO2)C1 ZINC001031532091 642276944 /nfs/dbraw/zinc/27/69/44/642276944.db2.gz MCKREBJHNKXLOY-GFCCVEGCSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ccn[nH]2)C1 ZINC001031557713 642301629 /nfs/dbraw/zinc/30/16/29/642301629.db2.gz FDKBHODADZUOLV-UHFFFAOYSA-N 1 0 220.276 0.257 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2ccon2)C1 ZINC001031563626 642310169 /nfs/dbraw/zinc/31/01/69/642310169.db2.gz QEIKAFWGILQXNK-UHFFFAOYSA-N 1 0 235.287 0.912 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000971177889 642314528 /nfs/dbraw/zinc/31/45/28/642314528.db2.gz QZYGXTMMSOLWCK-NEPJUHHUSA-N 1 0 236.315 0.189 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cc(C)nn2C)C1 ZINC001031566588 642314927 /nfs/dbraw/zinc/31/49/27/642314927.db2.gz XXIRXHXDLIVZSJ-UHFFFAOYSA-N 1 0 248.330 0.576 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)[C@H]2CCOC2)C1 ZINC001031572797 642325463 /nfs/dbraw/zinc/32/54/63/642325463.db2.gz NTDUTTOXZYDERJ-LBPRGKRZSA-N 1 0 238.331 0.647 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C)on2)C1 ZINC001021805169 642349484 /nfs/dbraw/zinc/34/94/84/642349484.db2.gz UEAFNIHCJUSCNC-AOOOYVTPSA-N 1 0 233.271 0.467 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031603228 642363187 /nfs/dbraw/zinc/36/31/87/642363187.db2.gz LSHGBPSEMFLUPA-UHFFFAOYSA-N 1 0 244.298 0.734 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001021820211 642371597 /nfs/dbraw/zinc/37/15/97/642371597.db2.gz IRPKWHGXXDGOKV-PHIMTYICSA-N 1 0 234.303 0.457 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)noc2C)C1 ZINC001021821747 642375578 /nfs/dbraw/zinc/37/55/78/642375578.db2.gz PQWBFRGYGRFANH-PHIMTYICSA-N 1 0 247.298 0.775 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2ccn(C)c2)C1 ZINC001031613597 642379241 /nfs/dbraw/zinc/37/92/41/642379241.db2.gz RBSMIPKAGODGGI-UHFFFAOYSA-N 1 0 245.326 0.710 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C)no2)C1 ZINC001021824258 642381069 /nfs/dbraw/zinc/38/10/69/642381069.db2.gz AGIISTAEYABBPN-AOOOYVTPSA-N 1 0 233.271 0.467 20 30 BCEDRO C#C[C@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000847018837 642383689 /nfs/dbraw/zinc/38/36/89/642383689.db2.gz MTWFIYYEIVXNHB-NSHDSACASA-N 1 0 204.277 0.623 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCN2C(=O)N[C@H](C)C2=O)C1 ZINC000847017976 642385944 /nfs/dbraw/zinc/38/59/44/642385944.db2.gz GMOGUWKPXKCACT-GHMZBOCLSA-N 1 0 249.314 0.272 20 30 BCEDRO CC[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619413 642392943 /nfs/dbraw/zinc/39/29/43/642392943.db2.gz WFMUGUIAHSMOIT-UHFFFAOYSA-N 1 0 232.287 0.568 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000971387957 642395066 /nfs/dbraw/zinc/39/50/66/642395066.db2.gz BSZLCMYFCDNXEO-CYBMUJFWSA-N 1 0 246.310 0.988 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000926141780 642396891 /nfs/dbraw/zinc/39/68/91/642396891.db2.gz LEULVPYSFZKBQK-GFCCVEGCSA-N 1 0 239.315 0.564 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC000971390578 642398109 /nfs/dbraw/zinc/39/81/09/642398109.db2.gz DFHGXIHYFPVOPD-LBPRGKRZSA-N 1 0 244.298 0.256 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)c2C)C1 ZINC001021842908 642399766 /nfs/dbraw/zinc/39/97/66/642399766.db2.gz NHHMSIUOELFHPZ-PHIMTYICSA-N 1 0 248.330 0.765 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cncnc2)C1 ZINC001031626953 642404887 /nfs/dbraw/zinc/40/48/87/642404887.db2.gz BESIVRYQMKCLKW-UHFFFAOYSA-N 1 0 246.314 0.714 20 30 BCEDRO C#CCOCCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000155146988 642414824 /nfs/dbraw/zinc/41/48/24/642414824.db2.gz RRDHWKMYFLZTCR-RYUDHWBXSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C)nn2C)C1 ZINC001021874087 642426555 /nfs/dbraw/zinc/42/65/55/642426555.db2.gz ZHWYQMRJXCZUSP-PHIMTYICSA-N 1 0 246.314 0.212 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001021886085 642434213 /nfs/dbraw/zinc/43/42/13/642434213.db2.gz MMMQRYIRULPGRO-UTUOFQBUSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001021902401 642450849 /nfs/dbraw/zinc/45/08/49/642450849.db2.gz WDWZWMYWFAFGLR-AOOOYVTPSA-N 1 0 232.287 0.202 20 30 BCEDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000933286365 642462982 /nfs/dbraw/zinc/46/29/82/642462982.db2.gz NVWHDJDDILDTSX-ZJUUUORDSA-N 1 0 239.319 0.155 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001021941159 642463395 /nfs/dbraw/zinc/46/33/95/642463395.db2.gz JWAUBZHOYBGHDZ-PHIMTYICSA-N 1 0 244.298 0.923 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000971435213 642463418 /nfs/dbraw/zinc/46/34/18/642463418.db2.gz FIMIMHBKVOSWLL-NSHDSACASA-N 1 0 240.347 0.866 20 30 BCEDRO C#CCNC(=S)NC1CC[NH+](C)CC1 ZINC000920307085 642466522 /nfs/dbraw/zinc/46/65/22/642466522.db2.gz FTRIACADHXICAK-UHFFFAOYSA-N 1 0 211.334 0.178 20 30 BCEDRO CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001021948762 642467534 /nfs/dbraw/zinc/46/75/34/642467534.db2.gz ZPRNBTTUPVFGCP-AOOOYVTPSA-N 1 0 232.287 0.757 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001031656095 642475020 /nfs/dbraw/zinc/47/50/20/642475020.db2.gz STXLFZSXBQTNAT-SECBINFHSA-N 1 0 230.258 0.876 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001031656471 642477549 /nfs/dbraw/zinc/47/75/49/642477549.db2.gz BCVNUUIOAUONST-UHFFFAOYSA-N 1 0 220.276 0.257 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000930126893 642483146 /nfs/dbraw/zinc/48/31/46/642483146.db2.gz OXGHUUOPDPGDSH-NWDGAFQWSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000930126894 642483238 /nfs/dbraw/zinc/48/32/38/642483238.db2.gz OXGHUUOPDPGDSH-RYUDHWBXSA-N 1 0 238.331 0.620 20 30 BCEDRO C#CCC1([NH2+][C@H]2CCN(OC)C2=O)CCC1 ZINC000933292703 642485864 /nfs/dbraw/zinc/48/58/64/642485864.db2.gz CTTRGTWTBBREAZ-JTQLQIEISA-N 1 0 222.288 0.684 20 30 BCEDRO C#CCC1([NH2+]C[C@@](C)(O)C(=O)OC)CCC1 ZINC000933296473 642500890 /nfs/dbraw/zinc/50/08/90/642500890.db2.gz HWYJFWXTGPPZSQ-LLVKDONJSA-N 1 0 225.288 0.446 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccnn2CC)C1 ZINC001022004296 642516602 /nfs/dbraw/zinc/51/66/02/642516602.db2.gz VSNYCIQRAZKILK-PHIMTYICSA-N 1 0 248.330 0.939 20 30 BCEDRO N#Cc1cc(C[NH2+]CCOCCO)cs1 ZINC000921492773 642628767 /nfs/dbraw/zinc/62/87/67/642628767.db2.gz ZVBDBSKOKFJRLV-UHFFFAOYSA-N 1 0 226.301 0.718 20 30 BCEDRO CCCC(N)=[NH+]OCC1(CO)COC1 ZINC000305051416 642634369 /nfs/dbraw/zinc/63/43/69/642634369.db2.gz HKJPBIOHSLNZRQ-UHFFFAOYSA-N 1 0 202.254 0.084 20 30 BCEDRO CO[NH+]=C(N)c1ccc(N2CCC(O)CC2)cc1 ZINC000305069141 642634853 /nfs/dbraw/zinc/63/48/53/642634853.db2.gz NOJAGGMHQANUCK-UHFFFAOYSA-N 1 0 249.314 0.914 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000921480689 642636236 /nfs/dbraw/zinc/63/62/36/642636236.db2.gz QCLADBUXXJPFAG-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO CN(C)C(=O)CCNC(=[NH2+])N1CCCCCC1 ZINC000305095113 642638622 /nfs/dbraw/zinc/63/86/22/642638622.db2.gz ZGIKDRFVIINKQO-UHFFFAOYSA-N 1 0 240.351 0.655 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCNC(=O)C(C)C ZINC000305283175 642653038 /nfs/dbraw/zinc/65/30/38/642653038.db2.gz COROTJRXJMUQCQ-UHFFFAOYSA-N 1 0 240.351 0.629 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(C)o1 ZINC000064615488 642682944 /nfs/dbraw/zinc/68/29/44/642682944.db2.gz AJRFQLDOTUPHFW-UHFFFAOYSA-N 1 0 220.272 0.817 20 30 BCEDRO CN(C(=[NH2+])NC[C@]1(C)CCCO1)C1CC1 ZINC000305796191 642694750 /nfs/dbraw/zinc/69/47/50/642694750.db2.gz ANERKVJBFUZXRB-NSHDSACASA-N 1 0 211.309 0.964 20 30 BCEDRO COC(=O)[C@@H](C)CNC(=[NH2+])N(C)C1CC1 ZINC000305811772 642699005 /nfs/dbraw/zinc/69/90/05/642699005.db2.gz JSKUZGWZKUSEBS-ZETCQYMHSA-N 1 0 213.281 0.204 20 30 BCEDRO CC1(CCNC(=[NH2+])N2CCCCC2)OCCO1 ZINC000305811766 642702496 /nfs/dbraw/zinc/70/24/96/642702496.db2.gz JRYGAQFQIJQTBY-UHFFFAOYSA-N 1 0 241.335 0.940 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCOC(C)C ZINC000305834353 642704286 /nfs/dbraw/zinc/70/42/86/642704286.db2.gz VXOVPOODSOSHTN-SECBINFHSA-N 1 0 217.313 0.351 20 30 BCEDRO C[NH+]=C(NCCC1(C)OCCO1)NC1CC1 ZINC000305824197 642705071 /nfs/dbraw/zinc/70/50/71/642705071.db2.gz QHJLPCNGHZBYBA-UHFFFAOYSA-N 1 0 227.308 0.467 20 30 BCEDRO CN(C(=[NH2+])NCCOc1cccnc1)C1CC1 ZINC000305837892 642705837 /nfs/dbraw/zinc/70/58/37/642705837.db2.gz XSHBTVYYTZFVJI-UHFFFAOYSA-N 1 0 234.303 0.869 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CC2 ZINC000961879710 642708805 /nfs/dbraw/zinc/70/88/05/642708805.db2.gz VMZYBHDILWHBQP-QNWHQSFQSA-N 1 0 244.338 0.856 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000420404055 642724648 /nfs/dbraw/zinc/72/46/48/642724648.db2.gz NQWMBBYZYAZTCZ-DGCLKSJQSA-N 1 0 237.347 0.505 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1ccnc1 ZINC000963005388 642737878 /nfs/dbraw/zinc/73/78/78/642737878.db2.gz WFRNNVLWLDVTKX-PJXYFTJBSA-N 1 0 246.314 0.116 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](C)[C@H](NC(C)=O)C1 ZINC000964574896 642753232 /nfs/dbraw/zinc/75/32/32/642753232.db2.gz LTHOQVXXERMFHG-CMPLNLGQSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(=O)CC)C1 ZINC000964533633 642753772 /nfs/dbraw/zinc/75/37/72/642753772.db2.gz XOJRMRVWXIKNMD-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NC[C@H](C)O ZINC000180058329 642770910 /nfs/dbraw/zinc/77/09/10/642770910.db2.gz NFCIULOJBPAVKF-QMMMGPOBSA-N 1 0 211.265 0.325 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC2CC2)C1 ZINC000966063990 642782292 /nfs/dbraw/zinc/78/22/92/642782292.db2.gz LUJYTCNGXXLNOW-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC000967421217 642800303 /nfs/dbraw/zinc/80/03/03/642800303.db2.gz MATIDEAJAHAJGM-GFCCVEGCSA-N 1 0 248.330 0.568 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000967546490 642801431 /nfs/dbraw/zinc/80/14/31/642801431.db2.gz IUSOTZRJPQMQHU-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC000967417406 642801329 /nfs/dbraw/zinc/80/13/29/642801329.db2.gz CLXDTJNETXUSLM-VHSXEESVSA-N 1 0 246.738 0.964 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000967730087 642803180 /nfs/dbraw/zinc/80/31/80/642803180.db2.gz VBGHBLFTJHBVLD-WDEREUQCSA-N 1 0 221.304 0.913 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC000968326236 642808455 /nfs/dbraw/zinc/80/84/55/642808455.db2.gz KWUWCZZCUQRQGQ-SNVBAGLBSA-N 1 0 247.298 0.777 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000968441556 642811042 /nfs/dbraw/zinc/81/10/42/642811042.db2.gz BIOQEDIIYRTFHB-LLVKDONJSA-N 1 0 244.298 0.876 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nccc(C)n2)C1 ZINC000968534160 642812264 /nfs/dbraw/zinc/81/22/64/642812264.db2.gz CUJZTSOUKDKJBB-LLVKDONJSA-N 1 0 244.298 0.222 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnnc(C)c2)C1 ZINC000968502993 642813183 /nfs/dbraw/zinc/81/31/83/642813183.db2.gz IQWDHBJVNRALDL-GFCCVEGCSA-N 1 0 244.298 0.222 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000968485894 642813284 /nfs/dbraw/zinc/81/32/84/642813284.db2.gz IYOPUTXWOROKAX-GFCCVEGCSA-N 1 0 234.299 0.157 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2ccsn2)C1 ZINC001031759865 642816248 /nfs/dbraw/zinc/81/62/48/642816248.db2.gz KYUJXNQXZGDYOF-UHFFFAOYSA-N 1 0 249.339 0.828 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2(C)CC2)C1 ZINC000968755311 642819350 /nfs/dbraw/zinc/81/93/50/642819350.db2.gz KWSBOZKERQZBQY-SNVBAGLBSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccsn2)C1 ZINC000969040984 642821530 /nfs/dbraw/zinc/82/15/30/642821530.db2.gz CIPUWMBVNYRZPM-SECBINFHSA-N 1 0 235.312 0.580 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cnc(C)o2)C1 ZINC000968900500 642821999 /nfs/dbraw/zinc/82/19/99/642821999.db2.gz GOYISHXFYQRCEN-LLVKDONJSA-N 1 0 249.314 0.902 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001006665625 642823181 /nfs/dbraw/zinc/82/31/81/642823181.db2.gz HCPPFEMAPSFPLA-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001006665629 642823860 /nfs/dbraw/zinc/82/38/60/642823860.db2.gz HCPPFEMAPSFPLA-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001006797544 642825620 /nfs/dbraw/zinc/82/56/20/642825620.db2.gz MPIIVVISLLZPDW-LLVKDONJSA-N 1 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C=CC[N@H+]1CC[C@@H](NC(=O)c2cnc(C)n2C)C1 ZINC001015616257 642912099 /nfs/dbraw/zinc/91/20/99/642912099.db2.gz QWXFJPZCPXJHHU-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C#CCN1CC[C@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015701895 642923903 /nfs/dbraw/zinc/92/39/03/642923903.db2.gz KGFSMZZRZNPAEY-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001015731400 642924453 /nfs/dbraw/zinc/92/44/53/642924453.db2.gz KFPLBNZIKHYFHG-IJLUTSLNSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001015760906 642927859 /nfs/dbraw/zinc/92/78/59/642927859.db2.gz AYYISDNEDRJGLK-JTQLQIEISA-N 1 0 234.303 0.329 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001015819402 642930609 /nfs/dbraw/zinc/93/06/09/642930609.db2.gz HDIREZWHBZDKFZ-SNVBAGLBSA-N 1 0 234.303 0.708 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001015765194 642930827 /nfs/dbraw/zinc/93/08/27/642930827.db2.gz MCSSEQJRZNNSSQ-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)C1 ZINC001015748287 642931227 /nfs/dbraw/zinc/93/12/27/642931227.db2.gz MYCMJZXWGCTROR-LBPRGKRZSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccncn2)C1 ZINC001015877289 642934521 /nfs/dbraw/zinc/93/45/21/642934521.db2.gz KKTZBMOGGZFHJM-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ncccn2)C1 ZINC001015886151 642934549 /nfs/dbraw/zinc/93/45/49/642934549.db2.gz YAFBAGDRJNIBNJ-SNVBAGLBSA-N 1 0 232.287 0.467 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ncccn2)C1 ZINC001015886124 642937208 /nfs/dbraw/zinc/93/72/08/642937208.db2.gz XMEBOWIEMSEYNV-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015903304 642941767 /nfs/dbraw/zinc/94/17/67/642941767.db2.gz XBMXWQVBEFSVKY-JTQLQIEISA-N 1 0 234.303 0.329 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2nocc2C)C1 ZINC001015950536 642942189 /nfs/dbraw/zinc/94/21/89/642942189.db2.gz DQXMDRFJEIKINH-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015904342 642942223 /nfs/dbraw/zinc/94/22/23/642942223.db2.gz BNRLAVWXLFZHGD-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cn(CC)nn2)C1 ZINC001015916589 642944908 /nfs/dbraw/zinc/94/49/08/642944908.db2.gz MXUXHJRXUWHYNH-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016189269 642948602 /nfs/dbraw/zinc/94/86/02/642948602.db2.gz XZFPIDCTOJTTFY-LLVKDONJSA-N 1 0 249.318 0.045 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001016250623 642951160 /nfs/dbraw/zinc/95/11/60/642951160.db2.gz PNNMPECLKWNLDX-JTQLQIEISA-N 1 0 234.303 0.410 20 30 BCEDRO CC#CCN1CC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001016245233 642954490 /nfs/dbraw/zinc/95/44/90/642954490.db2.gz FBKCAASEUVVEQQ-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001016396540 642955215 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ZINC001018794682 643009520 /nfs/dbraw/zinc/00/95/20/643009520.db2.gz LQCYKFKMIILMKC-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2[nH]ccc2C)C1 ZINC001018794852 643010455 /nfs/dbraw/zinc/01/04/55/643010455.db2.gz NBJZSTUVFSBPIV-NSHDSACASA-N 1 0 231.299 0.760 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001018786812 643011238 /nfs/dbraw/zinc/01/12/38/643011238.db2.gz ZPIMAQLTKMGTJM-JTQLQIEISA-N 1 0 226.320 0.524 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001018784327 643011578 /nfs/dbraw/zinc/01/15/78/643011578.db2.gz GNZUOQWCFPRKHH-GUBZILKMSA-N 1 0 242.269 0.711 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC001018824896 643013381 /nfs/dbraw/zinc/01/33/81/643013381.db2.gz ISDHLFMBBFJSCT-JTQLQIEISA-N 1 0 249.318 0.032 20 30 BCEDRO CC(C)[NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001018818804 643013873 /nfs/dbraw/zinc/01/38/73/643013873.db2.gz KCVGALVPTXGBQG-LBPRGKRZSA-N 1 0 220.316 0.999 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC001018823485 643014155 /nfs/dbraw/zinc/01/41/55/643014155.db2.gz CTHHLYLMVHKWHR-LBPRGKRZSA-N 1 0 218.300 0.776 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccnnc2C)C1 ZINC001019096117 643020704 /nfs/dbraw/zinc/02/07/04/643020704.db2.gz ZRMRUAFDVDOBOE-NSHDSACASA-N 1 0 246.314 0.775 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC001019213003 643022087 /nfs/dbraw/zinc/02/20/87/643022087.db2.gz YHOBZBVMRUKXDU-LBPRGKRZSA-N 1 0 248.330 0.650 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2csnn2)C1 ZINC001019203072 643022841 /nfs/dbraw/zinc/02/28/41/643022841.db2.gz HTXCHEHYVMWOSK-QMMMGPOBSA-N 1 0 238.316 0.528 20 30 BCEDRO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019238161 643022845 /nfs/dbraw/zinc/02/28/45/643022845.db2.gz OUJZAFACFYCRQI-JTQLQIEISA-N 1 0 226.320 0.381 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2[nH]c(C)nc2C)C1 ZINC001019398468 643029445 /nfs/dbraw/zinc/02/94/45/643029445.db2.gz NCLHHCUODYEAJJ-NSHDSACASA-N 1 0 246.314 0.464 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC001019436006 643033474 /nfs/dbraw/zinc/03/34/74/643033474.db2.gz PLDMUKQBOUHGRB-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC001019553143 643040660 /nfs/dbraw/zinc/04/06/60/643040660.db2.gz GYWCDJVUELWYPS-JTQLQIEISA-N 1 0 248.282 0.726 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC001019956143 643048645 /nfs/dbraw/zinc/04/86/45/643048645.db2.gz VHUXKNAFBXWIQM-XYPYZODXSA-N 1 0 244.298 0.269 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001019980199 643050955 /nfs/dbraw/zinc/05/09/55/643050955.db2.gz IRPKWHGXXDGOKV-XYPYZODXSA-N 1 0 234.303 0.457 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001020087575 643055929 /nfs/dbraw/zinc/05/59/29/643055929.db2.gz HWPMGVZTILRPOB-XYPYZODXSA-N 1 0 242.282 0.370 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001020070422 643056707 /nfs/dbraw/zinc/05/67/07/643056707.db2.gz YHRRTRHPGUMWHF-XYPYZODXSA-N 1 0 248.330 0.847 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2nccc(C)n2)C1 ZINC001020107534 643057547 /nfs/dbraw/zinc/05/75/47/643057547.db2.gz CATZPPCBNLAFIR-XYPYZODXSA-N 1 0 244.298 0.269 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccnn2CC)C1 ZINC001020098613 643057553 /nfs/dbraw/zinc/05/75/53/643057553.db2.gz VSNYCIQRAZKILK-XYPYZODXSA-N 1 0 248.330 0.939 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001020126506 643058963 /nfs/dbraw/zinc/05/89/63/643058963.db2.gz UDPZOYKGEMKZGU-MGCOHNPYSA-N 1 0 249.318 0.242 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccncc2C)C1 ZINC001020129920 643060895 /nfs/dbraw/zinc/06/08/95/643060895.db2.gz BHFBDDPCJHKGOC-HAQNSBGRSA-N 1 0 243.310 0.874 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC)C1 ZINC001020250360 643062478 /nfs/dbraw/zinc/06/24/78/643062478.db2.gz DGOPMRPRJRUNAO-AVGNSLFASA-N 1 0 249.358 0.341 20 30 BCEDRO COCCCCCNC(=[NH2+])N[C@@H](C)COC ZINC000303972296 643081718 /nfs/dbraw/zinc/08/17/18/643081718.db2.gz FOSQSUXWXSHUIR-JTQLQIEISA-N 1 0 231.340 0.742 20 30 BCEDRO C#CCCC[NH2+][C@H](C)CS(=O)(=O)CC ZINC000183045213 643083944 /nfs/dbraw/zinc/08/39/44/643083944.db2.gz KITSWIJSAFXAPM-SNVBAGLBSA-N 1 0 217.334 0.813 20 30 BCEDRO COC(=O)[C@H]1CCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000304190589 643085020 /nfs/dbraw/zinc/08/50/20/643085020.db2.gz AJPCWJCTZSUJJC-MNOVXSKESA-N 1 0 240.303 0.800 20 30 BCEDRO C=CCSCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000076105398 643085596 /nfs/dbraw/zinc/08/55/96/643085596.db2.gz YASVEZXYPSBPFV-SNVBAGLBSA-N 1 0 243.376 0.989 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001020402415 643089003 /nfs/dbraw/zinc/08/90/03/643089003.db2.gz HFSNHGRCLSPNSJ-MGCOHNPYSA-N 1 0 235.262 0.637 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC000969175663 643093017 /nfs/dbraw/zinc/09/30/17/643093017.db2.gz ZRYDPUKKYRLWGS-SNVBAGLBSA-N 1 0 246.314 0.409 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071304685 643129306 /nfs/dbraw/zinc/12/93/06/643129306.db2.gz BHZWJZAVIJKUHT-UONOGXRCSA-N 1 0 246.310 0.952 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001031985778 643154132 /nfs/dbraw/zinc/15/41/32/643154132.db2.gz RVEULBQWYMBPNU-PWSUYJOCSA-N 1 0 238.331 0.645 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cocn2)C1 ZINC000969392343 643163711 /nfs/dbraw/zinc/16/37/11/643163711.db2.gz SNWJPSIUHJRGOA-VIFPVBQESA-N 1 0 235.287 0.911 20 30 BCEDRO CC[NH+]1CC([C@@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000969463560 643177552 /nfs/dbraw/zinc/17/75/52/643177552.db2.gz PTQZJRLSUOWGRK-SECBINFHSA-N 1 0 246.314 0.956 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnco2)[C@H](C)C1 ZINC000942540618 643195064 /nfs/dbraw/zinc/19/50/64/643195064.db2.gz NDHBNWJDCVDYEO-GHMZBOCLSA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@@H](C)C1 ZINC000942540620 643195076 /nfs/dbraw/zinc/19/50/76/643195076.db2.gz NDHBNWJDCVDYEO-QWRGUYRKSA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)COCCOC)C(C)C ZINC000932388000 643204981 /nfs/dbraw/zinc/20/49/81/643204981.db2.gz QMOFTFXHYCZJHS-GFCCVEGCSA-N 1 0 229.320 0.354 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)COC)CC1(C)C ZINC000995276720 643213194 /nfs/dbraw/zinc/21/31/94/643213194.db2.gz FUZXCZXWHJZSJS-JTQLQIEISA-N 1 0 224.304 0.093 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC000969706385 643213483 /nfs/dbraw/zinc/21/34/83/643213483.db2.gz JZQQZXZOTBYHEL-PWSUYJOCSA-N 1 0 242.294 0.492 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C2CC2)CC1(C)C ZINC000995308496 643221332 /nfs/dbraw/zinc/22/13/32/643221332.db2.gz GPWLHCGRVMTIIQ-NSHDSACASA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC2=CCOCC2)C1 ZINC000969823682 643221728 /nfs/dbraw/zinc/22/17/28/643221728.db2.gz LFSQOQMFVCEXGZ-CYBMUJFWSA-N 1 0 248.326 0.547 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001020610047 643236818 /nfs/dbraw/zinc/23/68/18/643236818.db2.gz SRYBFVWPOKFTGA-DDHJBXDOSA-N 1 0 236.315 0.424 20 30 BCEDRO [NH2+]=C(NCC(F)(F)CO)N1CCCCC1 ZINC000184823748 643242271 /nfs/dbraw/zinc/24/22/71/643242271.db2.gz LMYBCSANMHOLAH-UHFFFAOYSA-N 1 0 221.251 0.415 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCC(F)(F)CO)C1 ZINC000184822769 643242281 /nfs/dbraw/zinc/24/22/81/643242281.db2.gz NVEQHSJGHDCDJT-QMMMGPOBSA-N 1 0 235.278 0.661 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000969992254 643261628 /nfs/dbraw/zinc/26/16/28/643261628.db2.gz ULHHYASGKGKUJE-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[N@H+](C[C@@H](O)C1(O)CCC1)C(C)(C)C ZINC000932461983 643266210 /nfs/dbraw/zinc/26/62/10/643266210.db2.gz XAYFOIYXSDSUAI-LLVKDONJSA-N 1 0 225.332 0.996 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH2+]CC)C2)nn1 ZINC001020700276 643273550 /nfs/dbraw/zinc/27/35/50/643273550.db2.gz LKRZIJUUCMZWNE-MGCOHNPYSA-N 1 0 249.318 0.334 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cncn2C)C1 ZINC000970069430 643281015 /nfs/dbraw/zinc/28/10/15/643281015.db2.gz BHQQECUMJXTDGQ-JTQLQIEISA-N 1 0 248.330 0.656 20 30 BCEDRO [NH2+]=C(NCC(F)F)NC[C@@H]1CCCO1 ZINC000072914106 643328708 /nfs/dbraw/zinc/32/87/08/643328708.db2.gz SDOIYPUOEMMTGJ-LURJTMIESA-N 1 0 207.224 0.335 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC001020896323 643330033 /nfs/dbraw/zinc/33/00/33/643330033.db2.gz VKHIRCCQWHTZTQ-MNXVOIDGSA-N 1 0 248.326 0.283 20 30 BCEDRO C#CCNC(=O)NC1(C[NH3+])CCCCC1 ZINC000082641085 643357015 /nfs/dbraw/zinc/35/70/15/643357015.db2.gz UQODXTIRLMRQNI-UHFFFAOYSA-N 1 0 209.293 0.580 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001021007729 643381919 /nfs/dbraw/zinc/38/19/19/643381919.db2.gz HMZXPFPJCXPVPA-XYPYZODXSA-N 1 0 245.282 0.271 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001021052989 643395998 /nfs/dbraw/zinc/39/59/98/643395998.db2.gz CNAYWHGIPWQZSP-HAQNSBGRSA-N 1 0 246.314 0.062 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccn2CC)C1 ZINC001021055658 643397210 /nfs/dbraw/zinc/39/72/10/643397210.db2.gz IDTMRXWQKGVYQN-HAQNSBGRSA-N 1 0 245.326 0.992 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cnon2)C1 ZINC000970304014 643410327 /nfs/dbraw/zinc/41/03/27/643410327.db2.gz QPXLCVUBQIDKIQ-SECBINFHSA-N 1 0 236.275 0.450 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC000970317091 643413179 /nfs/dbraw/zinc/41/31/79/643413179.db2.gz VBOUTRVVJKIDGK-SNVBAGLBSA-N 1 0 232.287 0.467 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000185961707 643416415 /nfs/dbraw/zinc/41/64/15/643416415.db2.gz CEFUGXLGGUYTSB-QWRGUYRKSA-N 1 0 235.331 0.792 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)CC1(C)C ZINC000995989637 643459074 /nfs/dbraw/zinc/45/90/74/643459074.db2.gz RAKVOASUMSLUHW-JTQLQIEISA-N 1 0 249.318 0.431 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC000970579284 643467385 /nfs/dbraw/zinc/46/73/85/643467385.db2.gz HKZYVTZXDJLEJL-LLVKDONJSA-N 1 0 248.330 0.637 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1C ZINC000077319548 643476908 /nfs/dbraw/zinc/47/69/08/643476908.db2.gz ZGZLAOYYZPEGEH-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCOCCC(=O)NCC(C)(C)C[NH+](C)C ZINC000160333023 643486954 /nfs/dbraw/zinc/48/69/54/643486954.db2.gz KMUJLUPTTAOQKK-UHFFFAOYSA-N 1 0 240.347 0.730 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000970626158 643488754 /nfs/dbraw/zinc/48/87/54/643488754.db2.gz CVJQMMLACQYIKL-LLVKDONJSA-N 1 0 247.298 0.777 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)Cc2cnoc2)CC1 ZINC000996905800 643552551 /nfs/dbraw/zinc/55/25/51/643552551.db2.gz SODLPEIAPUDVMH-UHFFFAOYSA-N 1 0 249.314 0.984 20 30 BCEDRO C=CCNC(=[NH2+])NCC1(OC)CCOCC1 ZINC000160407852 643575183 /nfs/dbraw/zinc/57/51/83/643575183.db2.gz DZTLUVODDUZVRB-UHFFFAOYSA-N 1 0 227.308 0.272 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000970858179 643577441 /nfs/dbraw/zinc/57/74/41/643577441.db2.gz QRQJLLKSOMZVHQ-GFCCVEGCSA-N 1 0 248.330 0.650 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2ccn(C)n2)C1 ZINC000970880706 643584432 /nfs/dbraw/zinc/58/44/32/643584432.db2.gz PNGRPAFMWQFQPP-JTQLQIEISA-N 1 0 248.330 0.656 20 30 BCEDRO N#CCCNC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790606 643625250 /nfs/dbraw/zinc/62/52/50/643625250.db2.gz PKPXSWCBRXJXRU-MNOVXSKESA-N 1 0 209.293 0.353 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2CCN(C(C)=O)CC[C@@H]2C1 ZINC000946419247 643670214 /nfs/dbraw/zinc/67/02/14/643670214.db2.gz NLFHXKCDCHNLRL-BETUJISGSA-N 1 0 220.316 0.810 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000971051594 643686561 /nfs/dbraw/zinc/68/65/61/643686561.db2.gz HVUWUXRFOXMFRT-GFCCVEGCSA-N 1 0 248.330 0.752 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)C2CC2)C1 ZINC000998338579 643700084 /nfs/dbraw/zinc/70/00/84/643700084.db2.gz VAELRRICAIHOLY-UHFFFAOYSA-N 1 0 206.289 0.609 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ccccn2)C1 ZINC000998359131 643702362 /nfs/dbraw/zinc/70/23/62/643702362.db2.gz KBLPKBVZOURFLZ-UHFFFAOYSA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cnn(C)c2)C1 ZINC000998428689 643705441 /nfs/dbraw/zinc/70/54/41/643705441.db2.gz GFKUWHKLPSKYKG-UHFFFAOYSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCO2)C1 ZINC000998416370 643705565 /nfs/dbraw/zinc/70/55/65/643705565.db2.gz KOTBQMPOKCIVAM-HTAVTVPLSA-N 1 0 236.315 0.378 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000998423139 643706025 /nfs/dbraw/zinc/70/60/25/643706025.db2.gz MKQORIBJVFGLGO-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000921659328 643706860 /nfs/dbraw/zinc/70/68/60/643706860.db2.gz DAGBEZDDJSDYSU-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000998485979 643708461 /nfs/dbraw/zinc/70/84/61/643708461.db2.gz JGWSNSSIGSQZCJ-RYUDHWBXSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cc(C)n[nH]2)C1 ZINC000998486067 643708733 /nfs/dbraw/zinc/70/87/33/643708733.db2.gz HTXQLJWNDVDEIP-UHFFFAOYSA-N 1 0 246.314 0.544 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000998618367 643716973 /nfs/dbraw/zinc/71/69/73/643716973.db2.gz AUXKSKZILKZZDG-NSHDSACASA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000998690697 643718356 /nfs/dbraw/zinc/71/83/56/643718356.db2.gz VJPOJPUXVKPEME-VXGBXAGGSA-N 1 0 236.315 0.237 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC000998747384 643721040 /nfs/dbraw/zinc/72/10/40/643721040.db2.gz RUUIZMKFKHVKIP-WDEREUQCSA-N 1 0 221.304 0.913 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC000998769653 643721407 /nfs/dbraw/zinc/72/14/07/643721407.db2.gz KELFGONIOWSOFD-GFCCVEGCSA-N 1 0 249.314 0.984 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@]23C[C@H]2COC3)C1 ZINC000998797145 643723733 /nfs/dbraw/zinc/72/37/33/643723733.db2.gz MMJWTUVHYHIGJG-BBCYWQGDSA-N 1 0 248.326 0.235 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ccsn2)C1 ZINC000998967167 643726214 /nfs/dbraw/zinc/72/62/14/643726214.db2.gz PTTYTSUNJOCTOL-UHFFFAOYSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ccnnc2)C1 ZINC000999460043 643736871 /nfs/dbraw/zinc/73/68/71/643736871.db2.gz XQLAOPSQASBLNI-UHFFFAOYSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2nocc2C)C1 ZINC000999658088 643739506 /nfs/dbraw/zinc/73/95/06/643739506.db2.gz RYLCBSXWYLGQJQ-UHFFFAOYSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC000999898138 643742183 /nfs/dbraw/zinc/74/21/83/643742183.db2.gz BYSBMRBPRCFGQU-IJLUTSLNSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001000514097 643786809 /nfs/dbraw/zinc/78/68/09/643786809.db2.gz ITLZZKPOEKMWHS-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2cnon2)C1 ZINC001000513398 643787604 /nfs/dbraw/zinc/78/76/04/643787604.db2.gz QTLLNAATYVYJOC-SECBINFHSA-N 1 0 236.275 0.450 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2nocc2C)C1 ZINC001000636074 643794642 /nfs/dbraw/zinc/79/46/42/643794642.db2.gz UGAAVQDDKHUGFQ-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001000643815 643794829 /nfs/dbraw/zinc/79/48/29/643794829.db2.gz KSYIVHUVAKZJMV-JTQLQIEISA-N 1 0 249.318 0.114 20 30 BCEDRO C#CC[NH+]1CCC(CNC(=O)C2CC2)CC1 ZINC001001093159 643801856 /nfs/dbraw/zinc/80/18/56/643801856.db2.gz VIGRCDNLGHBRLV-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001001056456 643802728 /nfs/dbraw/zinc/80/27/28/643802728.db2.gz QTGRWCOEAXAAGE-LBPRGKRZSA-N 1 0 246.314 0.097 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2nonc2C)C1 ZINC001001063232 643802784 /nfs/dbraw/zinc/80/27/84/643802784.db2.gz XQDGFFAJPWALKF-SNVBAGLBSA-N 1 0 248.286 0.205 20 30 BCEDRO C[C@H]1[C@H](NC(=O)NCC(C)(C)C#N)CC[N@@H+]1C ZINC000921887349 643817454 /nfs/dbraw/zinc/81/74/54/643817454.db2.gz DCXYCGMIOKPWJO-VHSXEESVSA-N 1 0 238.335 0.928 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000921934065 643828728 /nfs/dbraw/zinc/82/87/28/643828728.db2.gz RNYFOMGINIQKSO-WDEREUQCSA-N 1 0 239.319 0.028 20 30 BCEDRO N#Cc1cc(C[NH2+]C[C@@]2(O)CCOC2)cs1 ZINC000921932932 643829430 /nfs/dbraw/zinc/82/94/30/643829430.db2.gz UIWWNBAYWQTERB-NSHDSACASA-N 1 0 238.312 0.861 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000320782740 643840699 /nfs/dbraw/zinc/84/06/99/643840699.db2.gz RPCZTEYKEIBUCG-GRYCIOLGSA-N 1 0 240.347 0.960 20 30 BCEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@H](O)CO ZINC000922077051 643858660 /nfs/dbraw/zinc/85/86/60/643858660.db2.gz JPCCEKLLVJWKBG-LBPRGKRZSA-N 1 0 234.299 0.618 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000922168952 643889676 /nfs/dbraw/zinc/88/96/76/643889676.db2.gz DPLXXGLTIZTDMA-NSHDSACASA-N 1 0 238.331 0.620 20 30 BCEDRO C#CC[NH2+]CC(=O)N(CC)C[C@H]1CCOC1 ZINC000086156943 643932980 /nfs/dbraw/zinc/93/29/80/643932980.db2.gz WPQAIJWDKZRVCX-LLVKDONJSA-N 1 0 224.304 0.094 20 30 BCEDRO C=CCC[NH+]1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001003817013 643949377 /nfs/dbraw/zinc/94/93/77/643949377.db2.gz WCMYODVJOBWIAW-UHFFFAOYSA-N 1 0 249.318 0.575 20 30 BCEDRO N#Cc1cc(C[NH2+][C@@H]2CCOC[C@@H]2O)cs1 ZINC000922293747 643958162 /nfs/dbraw/zinc/95/81/62/643958162.db2.gz HSCAKDSLJQRNMD-MNOVXSKESA-N 1 0 238.312 0.859 20 30 BCEDRO C#CC[C@H]1NC(=O)N([C@H]2CC[N@@H+](CCC)C2)C1=O ZINC000925360315 644024739 /nfs/dbraw/zinc/02/47/39/644024739.db2.gz VYBSJFJXCMNUNS-WDEREUQCSA-N 1 0 249.314 0.414 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@H]2CCN2C)nn1 ZINC000922576758 644030627 /nfs/dbraw/zinc/03/06/27/644030627.db2.gz WBJWHKXHJUCGDQ-GFCCVEGCSA-N 1 0 235.335 0.648 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000922706249 644072024 /nfs/dbraw/zinc/07/20/24/644072024.db2.gz UDWZMOKFGKYUPZ-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCONC(=O)NCC1([NH+](C)C)CC1 ZINC000922766952 644090746 /nfs/dbraw/zinc/09/07/46/644090746.db2.gz MLSLYUQDULHTAN-UHFFFAOYSA-N 1 0 213.281 0.497 20 30 BCEDRO C=CCONC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000922767667 644091295 /nfs/dbraw/zinc/09/12/95/644091295.db2.gz VMTLQWZOEODHRS-BDAKNGLRSA-N 1 0 213.281 0.496 20 30 BCEDRO C#CCOCCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000186768278 644143768 /nfs/dbraw/zinc/14/37/68/644143768.db2.gz AGQDPIIOTFBUSI-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO CS(=O)(=O)CC[NH2+]Cc1cc(C#N)cs1 ZINC000086500244 644144459 /nfs/dbraw/zinc/14/44/59/644144459.db2.gz GHIRIMKKQGXWGT-UHFFFAOYSA-N 1 0 244.341 0.754 20 30 BCEDRO CC1(C)[C@H](O)C[C@@H]1NC(=[NH2+])N1CCCCC1 ZINC000186871985 644150794 /nfs/dbraw/zinc/15/07/94/644150794.db2.gz ICOZKXFLNHTBKP-VHSXEESVSA-N 1 0 225.336 0.946 20 30 BCEDRO CCN(C)C(=O)CNC(=[NH2+])NC1CCCCC1 ZINC000187052445 644200670 /nfs/dbraw/zinc/20/06/70/644200670.db2.gz LHYUTWYHHSYOPL-UHFFFAOYSA-N 1 0 240.351 0.702 20 30 BCEDRO C=CCN(C)C(=O)NCC1([NH+](C)C)CC1 ZINC000923000665 644218310 /nfs/dbraw/zinc/21/83/10/644218310.db2.gz NLFCIPSRYVDDDF-UHFFFAOYSA-N 1 0 211.309 0.908 20 30 BCEDRO N#Cc1csc(C[NH2+][C@H]2C[C@H](CO)C2)n1 ZINC000923004163 644228504 /nfs/dbraw/zinc/22/85/04/644228504.db2.gz ANIZAYPTDZJMTC-ZKCHVHJHSA-N 1 0 223.301 0.875 20 30 BCEDRO CSC1(CNC(=[NH2+])N2CCOCC2)CCC1 ZINC000193299452 644232420 /nfs/dbraw/zinc/23/24/20/644232420.db2.gz QFSWYXISRHLQML-UHFFFAOYSA-N 1 0 243.376 0.919 20 30 BCEDRO C=C[C@H](C)ONC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000923086591 644260555 /nfs/dbraw/zinc/26/05/55/644260555.db2.gz NELLKEJVPKSFHO-GUBZILKMSA-N 1 0 227.308 0.884 20 30 BCEDRO C=C(C)CONC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000923079890 644262666 /nfs/dbraw/zinc/26/26/66/644262666.db2.gz HPBFEUKYABJPFY-UWVGGRQHSA-N 1 0 227.308 0.886 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000923216083 644291556 /nfs/dbraw/zinc/29/15/56/644291556.db2.gz UREWRVFVSOZNMT-QWRGUYRKSA-N 1 0 241.335 0.274 20 30 BCEDRO C=CCC[C@H](O)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000923299026 644326051 /nfs/dbraw/zinc/32/60/51/644326051.db2.gz WIXXVQWUEXPTQY-GRYCIOLGSA-N 1 0 228.336 0.362 20 30 BCEDRO CC[C@@H](CO)NC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000187141680 644334454 /nfs/dbraw/zinc/33/44/54/644334454.db2.gz CNUXQMZCUFWHNR-ZJUUUORDSA-N 1 0 213.325 0.804 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NC[C@@H](C)COC ZINC000194691063 644338389 /nfs/dbraw/zinc/33/83/89/644338389.db2.gz YQVQFPRJHFDHFU-RKDXNWHRSA-N 1 0 201.314 0.972 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCCOC(C)C ZINC000082344077 644368179 /nfs/dbraw/zinc/36/81/79/644368179.db2.gz SVRNWZBDSIUVGW-UHFFFAOYSA-N 1 0 212.293 0.141 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H](CN)C1CC1 ZINC000923357804 644368284 /nfs/dbraw/zinc/36/82/84/644368284.db2.gz RWQNVSOPSOMMLS-NEPJUHHUSA-N 1 0 212.337 0.983 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCCCO ZINC000195303303 644374175 /nfs/dbraw/zinc/37/41/75/644374175.db2.gz SQWHOWWHLQZTPG-UHFFFAOYSA-N 1 0 201.314 0.709 20 30 BCEDRO CC(C)NC(=[NH2+])NCCc1cnn(C)c1 ZINC000082431785 644377776 /nfs/dbraw/zinc/37/77/76/644377776.db2.gz VAKQZRUFJUJFGJ-UHFFFAOYSA-N 1 0 209.297 0.275 20 30 BCEDRO C=CCC[C@H](O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923362361 644386588 /nfs/dbraw/zinc/38/65/88/644386588.db2.gz XOXVXZDCGPKWFX-WOPDTQHZSA-N 1 0 210.321 0.607 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H]2OCCN[C@H]2C1 ZINC000923384767 644397263 /nfs/dbraw/zinc/39/72/63/644397263.db2.gz MNJUUXHLBWOFDH-RWMBFGLXSA-N 1 0 240.347 0.376 20 30 BCEDRO C=CCC[C@H](O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000923395406 644400934 /nfs/dbraw/zinc/40/09/34/644400934.db2.gz LEFIIQRGEGQYFY-HBNTYKKESA-N 1 0 216.300 0.685 20 30 BCEDRO C[C@]1(C#N)CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394822 644401907 /nfs/dbraw/zinc/40/19/07/644401907.db2.gz FZMRIYRQBFMRRA-NWDGAFQWSA-N 1 0 235.331 0.600 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923412470 644414476 /nfs/dbraw/zinc/41/44/76/644414476.db2.gz XMDVPOFKXXACBU-TUAOUCFPSA-N 1 0 210.321 0.750 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)/C=C/C)C1 ZINC000923554759 644499061 /nfs/dbraw/zinc/49/90/61/644499061.db2.gz OYKULUDBOFJEPW-GQOHGMTASA-N 1 0 206.289 0.776 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)c2cscn2)C1 ZINC000923563755 644505282 /nfs/dbraw/zinc/50/52/82/644505282.db2.gz OJHYQGHSWKJHEC-JTQLQIEISA-N 1 0 249.339 0.971 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)CC)C[C@@H]1C ZINC000946936546 644526905 /nfs/dbraw/zinc/52/69/05/644526905.db2.gz ISYXKWYIAMGKNA-WDEREUQCSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000750261864 644595759 /nfs/dbraw/zinc/59/57/59/644595759.db2.gz MJOYLDWPTXFKRC-RYUDHWBXSA-N 1 0 236.315 0.094 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC ZINC001017276556 644606097 /nfs/dbraw/zinc/60/60/97/644606097.db2.gz GODUOSOEPQCWQK-TXEJJXNPSA-N 1 0 236.315 0.331 20 30 BCEDRO Cn1cncc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000755813740 644620722 /nfs/dbraw/zinc/62/07/22/644620722.db2.gz HNXLDBPUJJLNOP-QWRGUYRKSA-N 1 0 246.318 0.614 20 30 BCEDRO C#CCNC(=S)NCC[N@@H+](C)[C@H](C)CC ZINC000758216220 644636456 /nfs/dbraw/zinc/63/64/56/644636456.db2.gz LOCMIKQKGHZBHH-SNVBAGLBSA-N 1 0 227.377 0.814 20 30 BCEDRO CN1CCC(=NNCC[NH+]2CCCCC2)C1=O ZINC000761781135 644649965 /nfs/dbraw/zinc/64/99/65/644649965.db2.gz BOKZHHQMGXLNRG-UHFFFAOYSA-N 1 0 238.335 0.280 20 30 BCEDRO CC(C)N1CC(=NNC2=[NH+][C@@H](C)CN2)[C@@H](C)C1 ZINC000779797733 644715025 /nfs/dbraw/zinc/71/50/25/644715025.db2.gz IQZVYJQCSPGTTE-UWVGGRQHSA-N 1 0 237.351 0.640 20 30 BCEDRO CCn1cc(C=NNC2=[NH+]C[C@H](C)N2)cn1 ZINC000779804934 644717613 /nfs/dbraw/zinc/71/76/13/644717613.db2.gz HURSNVVZSTTZQK-QMMMGPOBSA-N 1 0 220.280 0.174 20 30 BCEDRO C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CCC2)C1 ZINC000957798152 644755497 /nfs/dbraw/zinc/75/54/97/644755497.db2.gz QKRWJRHQLDCZPK-NEPJUHHUSA-N 1 0 238.331 0.381 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC1 ZINC000958028520 644770928 /nfs/dbraw/zinc/77/09/28/644770928.db2.gz SASFQVNUYUWWQP-ITGUQSILSA-N 1 0 232.327 0.856 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccco1 ZINC000958088857 644776200 /nfs/dbraw/zinc/77/62/00/644776200.db2.gz KRQIKWDKHCRGGW-IAZYJMLFSA-N 1 0 230.267 0.573 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C)o1 ZINC000958159851 644779454 /nfs/dbraw/zinc/77/94/54/644779454.db2.gz CQIWUNKHUDZXGX-PJXYFTJBSA-N 1 0 244.294 0.881 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)on1 ZINC000958168987 644780583 /nfs/dbraw/zinc/78/05/83/644780583.db2.gz KETMAFBRXQHOHJ-IAZYJMLFSA-N 1 0 247.298 0.829 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnn(C)c1 ZINC000958184403 644780907 /nfs/dbraw/zinc/78/09/07/644780907.db2.gz AFIYRAFBROUNDO-GDNZZTSVSA-N 1 0 246.314 0.266 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc[nH]1 ZINC000958221303 644782335 /nfs/dbraw/zinc/78/23/35/644782335.db2.gz ORROKFCEGQWTNZ-PJXYFTJBSA-N 1 0 243.310 0.698 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC000958297681 644787048 /nfs/dbraw/zinc/78/70/48/644787048.db2.gz LEXUXPGFVOBXEP-IAZYJMLFSA-N 1 0 244.298 0.093 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccnn1-c1ccccc1 ZINC000790290682 644789061 /nfs/dbraw/zinc/78/90/61/644789061.db2.gz NSDUSKVLPCNINX-UHFFFAOYSA-N 1 0 228.259 0.689 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cc[nH]n1 ZINC000958454111 644797028 /nfs/dbraw/zinc/79/70/28/644797028.db2.gz MZJLTIUIIZANRK-PJXYFTJBSA-N 1 0 246.314 0.185 20 30 BCEDRO CNC(NC[C@@H]1Cc2ccccc2O1)=[NH+]C ZINC000303257233 644813493 /nfs/dbraw/zinc/81/34/93/644813493.db2.gz JEGQRCPRFKSOHR-JTQLQIEISA-N 1 0 219.288 0.785 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC1(C)C ZINC000958595127 644813721 /nfs/dbraw/zinc/81/37/21/644813721.db2.gz TVQPEJBWLTXWMX-KXNHARMFSA-N 1 0 232.327 0.712 20 30 BCEDRO C[NH+]=C(NCCc1cnn(C)c1)NC1CC1 ZINC000303393662 644819706 /nfs/dbraw/zinc/81/97/06/644819706.db2.gz FYLWWJSQVYGFNK-UHFFFAOYSA-N 1 0 221.308 0.290 20 30 BCEDRO CC[NH+]=C(NCCS(C)(=O)=O)NC(C)(C)C ZINC000303470793 644826710 /nfs/dbraw/zinc/82/67/10/644826710.db2.gz IPFRRIBMJRNVBD-UHFFFAOYSA-N 1 0 249.380 0.385 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC000958808412 644828911 /nfs/dbraw/zinc/82/89/11/644828911.db2.gz HVGOFCPWXFVMKX-MYJAWHEDSA-N 1 0 232.287 0.256 20 30 BCEDRO Cc1cc(F)ccc1[C@H](O)C[NH2+]CC#CCO ZINC000843078616 644833374 /nfs/dbraw/zinc/83/33/74/644833374.db2.gz CXRHOOJUZFWASN-CYBMUJFWSA-N 1 0 237.274 0.753 20 30 BCEDRO [NH2+]=C(NCCCO)NCCc1ccccc1 ZINC000303707373 644838784 /nfs/dbraw/zinc/83/87/84/644838784.db2.gz MGJZKRWXEFDLQY-UHFFFAOYSA-N 1 0 221.304 0.516 20 30 BCEDRO CC(C)NC(=[NH2+])NCCNC(=O)c1ccccc1 ZINC000303768980 644844981 /nfs/dbraw/zinc/84/49/81/644844981.db2.gz ARKCFECUXLNFEW-UHFFFAOYSA-N 1 0 248.330 0.729 20 30 BCEDRO CCCNC(=O)CNC(=[NH2+])N1CCCCC1 ZINC000303786049 644846223 /nfs/dbraw/zinc/84/62/23/644846223.db2.gz RABVHNCTCOQDQB-UHFFFAOYSA-N 1 0 226.324 0.313 20 30 BCEDRO NC(=[NH2+])NN=Cc1c(Cl)nc2sccn12 ZINC000252446979 644849675 /nfs/dbraw/zinc/84/96/75/644849675.db2.gz DOOZMNFZRWBVHR-UHFFFAOYSA-N 1 0 242.695 0.866 20 30 BCEDRO CCCNC(=[NH2+])NC[C@H](C)Cn1cccn1 ZINC000303863234 644850388 /nfs/dbraw/zinc/85/03/88/644850388.db2.gz ACASFWNSTFUFMK-JTQLQIEISA-N 1 0 223.324 0.834 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@@H](C)Cn1cccn1 ZINC000303863663 644851001 /nfs/dbraw/zinc/85/10/01/644851001.db2.gz ALHKNWCFAAPULC-SNVBAGLBSA-N 1 0 223.324 0.832 20 30 BCEDRO CCCCCCNC(=[NH2+])NCCC(=O)N(C)C ZINC000303863263 644851242 /nfs/dbraw/zinc/85/12/42/644851242.db2.gz ADOUCDGRTZXEFI-UHFFFAOYSA-N 1 0 242.367 0.949 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](O)COCC(C)C ZINC000303872481 644851609 /nfs/dbraw/zinc/85/16/09/644851609.db2.gz BZVKSWPQHXNHOV-LLVKDONJSA-N 1 0 243.351 0.500 20 30 BCEDRO CCCCNC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303878739 644852731 /nfs/dbraw/zinc/85/27/31/644852731.db2.gz JGDPVVQARPRYAS-UHFFFAOYSA-N 1 0 214.313 0.202 20 30 BCEDRO CCCCNC(=[NH2+])NCCC(=O)N[C@H](C)CC ZINC000303876267 644853262 /nfs/dbraw/zinc/85/32/62/644853262.db2.gz IAXDTFNEJMSHOB-SNVBAGLBSA-N 1 0 242.367 0.996 20 30 BCEDRO CCOCCCNC(=[NH2+])NCc1cc[nH]n1 ZINC000303875430 644853293 /nfs/dbraw/zinc/85/32/93/644853293.db2.gz HQCJZIAGCWXTOG-UHFFFAOYSA-N 1 0 225.296 0.241 20 30 BCEDRO CCCCNC(=[NH2+])NCc1cnn(C)c1 ZINC000303880165 644854169 /nfs/dbraw/zinc/85/41/69/644854169.db2.gz KBXLDYCOZUVJIU-UHFFFAOYSA-N 1 0 209.297 0.625 20 30 BCEDRO CC[C@@H](C)NC(=O)CC[NH+]=C(N(C)C)N(C)C ZINC000303885813 644854839 /nfs/dbraw/zinc/85/48/39/644854839.db2.gz NKBFKFIALNQTTJ-SNVBAGLBSA-N 1 0 242.367 0.770 20 30 BCEDRO CNC(=O)c1ccc(CNC(=[NH2+])NC(C)C)cc1 ZINC000303908943 644856435 /nfs/dbraw/zinc/85/64/35/644856435.db2.gz XYWZFIPEOBTDMJ-UHFFFAOYSA-N 1 0 248.330 0.859 20 30 BCEDRO CC[C@@H](C)NC(=O)CCNC(=[NH2+])N(CC)CC ZINC000303895193 644856462 /nfs/dbraw/zinc/85/64/62/644856462.db2.gz TVARJMZAUPZBHT-SNVBAGLBSA-N 1 0 242.367 0.948 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](O)COCC1CC1 ZINC000303975522 644861428 /nfs/dbraw/zinc/86/14/28/644861428.db2.gz JDDIFKZFPNRACE-NSHDSACASA-N 1 0 241.335 0.254 20 30 BCEDRO CCc1nc(CNC(=[NH2+])NCCOC)cs1 ZINC000303978008 644864030 /nfs/dbraw/zinc/86/40/30/644864030.db2.gz DASZPTGWGUBILS-UHFFFAOYSA-N 1 0 242.348 0.756 20 30 BCEDRO CCCOC(=O)CCNC(NC)=[NH+]C ZINC000304006865 644866476 /nfs/dbraw/zinc/86/64/76/644866476.db2.gz SZOGYDGXBBDAKK-UHFFFAOYSA-N 1 0 201.270 0.125 20 30 BCEDRO CC[N@H+](CCOCCO)CCO[C@@H](C)C#N ZINC000304229549 644879437 /nfs/dbraw/zinc/87/94/37/644879437.db2.gz KHXMHPSGCIDKAX-NSHDSACASA-N 1 0 230.308 0.246 20 30 BCEDRO CCC[N@H+](CCO[C@@H](C)C#N)CC(=O)NC ZINC000304256915 644881543 /nfs/dbraw/zinc/88/15/43/644881543.db2.gz SIGIJTXYUINPDB-JTQLQIEISA-N 1 0 227.308 0.373 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)Cc1cnn(C)c1 ZINC000304250919 644882692 /nfs/dbraw/zinc/88/26/92/644882692.db2.gz QYTOXVOAZWPOIQ-SNVBAGLBSA-N 1 0 222.292 0.781 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)CCO[C@H](C)C#N ZINC000304254582 644882808 /nfs/dbraw/zinc/88/28/08/644882808.db2.gz RSIJVCMEGWSIKN-NXEZZACHSA-N 1 0 227.308 0.229 20 30 BCEDRO CNC(NCc1nccn1CC(C)C)=[NH+]C ZINC000304288099 644887426 /nfs/dbraw/zinc/88/74/26/644887426.db2.gz IUMQRVXVPDDYLC-UHFFFAOYSA-N 1 0 223.324 0.834 20 30 BCEDRO CC[N@H+](C[C@H](O)CC#N)CC(C)(C)O ZINC000809574741 644894151 /nfs/dbraw/zinc/89/41/51/644894151.db2.gz PEXKAQKGRMXHLQ-SECBINFHSA-N 1 0 200.282 0.354 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCC1(C)COC1 ZINC000304737620 644926553 /nfs/dbraw/zinc/92/65/53/644926553.db2.gz ANZSUWYLOZRXIA-UHFFFAOYSA-N 1 0 213.325 0.973 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCC2(O)CCC2)C1 ZINC000304752381 644929465 /nfs/dbraw/zinc/92/94/65/644929465.db2.gz KEWQFAXYXPDYOQ-SNVBAGLBSA-N 1 0 225.336 0.948 20 30 BCEDRO CCCNC(=[NH2+])NCC[S@](=O)C(C)(C)C ZINC000304747599 644929590 /nfs/dbraw/zinc/92/95/90/644929590.db2.gz GNUATPOBAFAFPC-HNNXBMFYSA-N 1 0 233.381 0.848 20 30 BCEDRO CO[C@@H](CNC(=[NH2+])N1CCOCC1)C(C)(C)C ZINC000304753208 644929817 /nfs/dbraw/zinc/92/98/17/644929817.db2.gz YGDDWAIOCYWVRI-JTQLQIEISA-N 1 0 243.351 0.694 20 30 BCEDRO CN(C)C(=[NH+]CCOC[C@@H]1CCCO1)N(C)C ZINC000304747323 644929879 /nfs/dbraw/zinc/92/98/79/644929879.db2.gz GGHSPSOKIJHJPU-NSHDSACASA-N 1 0 243.351 0.661 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCC[C@@H]1O)N1CCCCC1 ZINC000304756220 644930586 /nfs/dbraw/zinc/93/05/86/644930586.db2.gz NLWKODWMWUUSPP-MNOVXSKESA-N 1 0 225.336 0.948 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCOCC1CC1 ZINC000304760384 644930851 /nfs/dbraw/zinc/93/08/51/644930851.db2.gz SHXQXDUGALOXIQ-SECBINFHSA-N 1 0 229.324 0.352 20 30 BCEDRO CCCNC(=[NH2+])NCCn1cnnc1CC ZINC000304772518 644932521 /nfs/dbraw/zinc/93/25/21/644932521.db2.gz ARKRCFFRADUSDJ-UHFFFAOYSA-N 1 0 224.312 0.155 20 30 BCEDRO C[C@H]1C[N@@H+](C2CC2)CC1N=Nc1cnnn1C ZINC000814983683 644947615 /nfs/dbraw/zinc/94/76/15/644947615.db2.gz MKKSPLKGRAPZMG-QMMMGPOBSA-N 1 0 234.307 0.697 20 30 BCEDRO C#CCCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000819115486 645005671 /nfs/dbraw/zinc/00/56/71/645005671.db2.gz BTKNCPIMJVTJJH-GFCCVEGCSA-N 1 0 223.320 0.196 20 30 BCEDRO OCC[NH+]1CCC(=NNCC(F)(F)F)CC1 ZINC000819812662 645016448 /nfs/dbraw/zinc/01/64/48/645016448.db2.gz OEHKLILMJOZXBS-UHFFFAOYSA-N 1 0 239.241 0.582 20 30 BCEDRO C[C@H](O)CN(C)[NH+]=Cc1ccncc1N ZINC000819813612 645018300 /nfs/dbraw/zinc/01/83/00/645018300.db2.gz PUAHJGDDRUQWCP-QMMMGPOBSA-N 1 0 208.265 0.310 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CCC(=O)NC)C1 ZINC000829778820 645110854 /nfs/dbraw/zinc/11/08/54/645110854.db2.gz HWEBRHZJLGMPJG-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)NCC#N)C1 ZINC000829784024 645111182 /nfs/dbraw/zinc/11/11/82/645111182.db2.gz DOLRBUVDEQGRGO-NSHDSACASA-N 1 0 219.288 0.361 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829998490 645113094 /nfs/dbraw/zinc/11/30/94/645113094.db2.gz MKUBPBZBXYQFSC-WDEREUQCSA-N 1 0 223.276 0.266 20 30 BCEDRO C#CCC[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000830292179 645119017 /nfs/dbraw/zinc/11/90/17/645119017.db2.gz FJNJYUWSWQMVCX-RYUDHWBXSA-N 1 0 208.305 0.415 20 30 BCEDRO C#CC1CC[NH+](CC(=O)NC2(C#N)CCC2)CC1 ZINC000830345433 645120963 /nfs/dbraw/zinc/12/09/63/645120963.db2.gz CRPRQBPCGAJVAB-UHFFFAOYSA-N 1 0 245.326 0.894 20 30 BCEDRO CCc1ccnc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834484587 645143149 /nfs/dbraw/zinc/14/31/49/645143149.db2.gz KRPUBDQQUXMFKK-ZYHUDNBSSA-N 1 0 244.298 0.485 20 30 BCEDRO CC(C)C#CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000834522310 645143278 /nfs/dbraw/zinc/14/32/78/645143278.db2.gz NFALXTAFZBUQFM-UHFFFAOYSA-N 1 0 220.316 0.810 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1ccncc1 ZINC000834521216 645144000 /nfs/dbraw/zinc/14/40/00/645144000.db2.gz DYFABRGUCJXGPZ-RYUDHWBXSA-N 1 0 244.298 0.242 20 30 BCEDRO C[NH+]1CC2(C1)CCN(C(=O)C#CC1CC1)C2 ZINC000834523077 645145535 /nfs/dbraw/zinc/14/55/35/645145535.db2.gz YORQABOPFLQQQK-UHFFFAOYSA-N 1 0 218.300 0.564 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000841506588 645217443 /nfs/dbraw/zinc/21/74/43/645217443.db2.gz OMYHYGRNKTVFQV-UWVGGRQHSA-N 1 0 209.293 0.388 20 30 BCEDRO CC1(C)CN(C(=O)C#CC2CC2)CC[NH2+]1 ZINC000837452468 645201008 /nfs/dbraw/zinc/20/10/08/645201008.db2.gz XSQIGAZJONINLN-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CCCCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000841857803 645230770 /nfs/dbraw/zinc/23/07/70/645230770.db2.gz ATIHMTAXHGSLGM-JTQLQIEISA-N 1 0 211.309 0.826 20 30 BCEDRO C=C(C)CC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000926517773 645249604 /nfs/dbraw/zinc/24/96/04/645249604.db2.gz FIZVPSUTPXXRPZ-LLVKDONJSA-N 1 0 238.331 0.837 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000843077338 645259104 /nfs/dbraw/zinc/25/91/04/645259104.db2.gz NKNZRNYSZODUJK-JQWIXIFHSA-N 1 0 238.262 0.228 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CCCCCC ZINC000843105375 645260564 /nfs/dbraw/zinc/26/05/64/645260564.db2.gz SEJBIHZRGSIUPR-RYUDHWBXSA-N 1 0 213.321 0.901 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]CCC(=O)N(C)OC ZINC000843078809 645261939 /nfs/dbraw/zinc/26/19/39/645261939.db2.gz RTLOJRQIRLTOKZ-JTQLQIEISA-N 1 0 230.308 0.313 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926545284 645269364 /nfs/dbraw/zinc/26/93/64/645269364.db2.gz JGAUWBPWUQPABV-UWVGGRQHSA-N 1 0 224.308 0.793 20 30 BCEDRO N#Cc1cnccc1CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000843388663 645288984 /nfs/dbraw/zinc/28/89/84/645288984.db2.gz VYURLYPQHKJLQC-MFKMUULPSA-N 1 0 228.299 0.747 20 30 BCEDRO CC[NH2+]CC(=O)NCc1ccc(CC#N)cc1 ZINC000843509179 645294073 /nfs/dbraw/zinc/29/40/73/645294073.db2.gz XBVYTRVLHUBJCP-UHFFFAOYSA-N 1 0 231.299 0.978 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H](C)C(C)(C)CO)nn1 ZINC000926615849 645315872 /nfs/dbraw/zinc/31/58/72/645315872.db2.gz RVQFVQRBZVNUQQ-JTQLQIEISA-N 1 0 238.335 0.961 20 30 BCEDRO C#CC[NH2+]CC(=O)N(C)Cc1ccccc1OC ZINC000105964462 645369058 /nfs/dbraw/zinc/36/90/58/645369058.db2.gz SWBQFBQHLUDPLY-UHFFFAOYSA-N 1 0 246.310 0.876 20 30 BCEDRO C=C[C@H](C)ONC(=O)NCC[NH+](C)C ZINC000845626185 645374222 /nfs/dbraw/zinc/37/42/22/645374222.db2.gz DFYIOOKUIFICBL-QMMMGPOBSA-N 1 0 201.270 0.353 20 30 BCEDRO C[C@@H]1COC[C@H]1[NH+]1CCN(CCC#N)CC1 ZINC000926807731 645439491 /nfs/dbraw/zinc/43/94/91/645439491.db2.gz MFSDHWCUAMKLKW-VXGBXAGGSA-N 1 0 223.320 0.553 20 30 BCEDRO C[C@H]1COC[C@@H]1[NH+]1CCN(CCC#N)CC1 ZINC000926807730 645440479 /nfs/dbraw/zinc/44/04/79/645440479.db2.gz MFSDHWCUAMKLKW-RYUDHWBXSA-N 1 0 223.320 0.553 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C1CCN(OC)CC1 ZINC000926862463 645459740 /nfs/dbraw/zinc/45/97/40/645459740.db2.gz HAISYZHZRPQUSC-GFCCVEGCSA-N 1 0 228.336 0.929 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926866885 645464197 /nfs/dbraw/zinc/46/41/97/645464197.db2.gz ZGVIZUVKTZHHHO-NXEZZACHSA-N 1 0 224.308 0.793 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CN3C[C@@H]2CCC3)C1 ZINC000926870011 645466682 /nfs/dbraw/zinc/46/66/82/645466682.db2.gz ZLVJFOPNFQDMMG-SOUVJXGZSA-N 1 0 247.386 0.768 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@H](COC)OC)C1 ZINC000852216236 645475627 /nfs/dbraw/zinc/47/56/27/645475627.db2.gz WXBKCXJUKCJUNN-NWDGAFQWSA-N 1 0 211.305 0.993 20 30 BCEDRO C#C[C@H](CO)NC(=O)CCCC[NH+]1CCCC1 ZINC000854769705 645510832 /nfs/dbraw/zinc/51/08/32/645510832.db2.gz SJHONTBFRBFPFR-GFCCVEGCSA-N 1 0 238.331 0.363 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCO[C@H]1CCOC1 ZINC000885721936 645611756 /nfs/dbraw/zinc/61/17/56/645611756.db2.gz ADGUIZASGXFKBM-NSHDSACASA-N 1 0 242.319 0.026 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccc(F)c(C)c1 ZINC000857577231 645618251 /nfs/dbraw/zinc/61/82/51/645618251.db2.gz WNMHXYUOWANZSO-UHFFFAOYSA-N 1 0 234.274 0.973 20 30 BCEDRO CON=CC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927699196 645639759 /nfs/dbraw/zinc/63/97/59/645639759.db2.gz RUPZRTBWYLSQCC-UHFFFAOYSA-N 1 0 236.275 0.396 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](C)[C@H](CO)C1 ZINC000857729604 645663668 /nfs/dbraw/zinc/66/36/68/645663668.db2.gz BTTHJTFNWPDEFX-JQWIXIFHSA-N 1 0 240.347 0.581 20 30 BCEDRO C#CCSCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928425737 645743799 /nfs/dbraw/zinc/74/37/99/645743799.db2.gz KNOFJTQAEMLDEU-ZJUUUORDSA-N 1 0 226.345 0.562 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)nn1 ZINC000928434269 645751052 /nfs/dbraw/zinc/75/10/52/645751052.db2.gz WGZITGWBJOCWGV-UWVGGRQHSA-N 1 0 249.318 0.287 20 30 BCEDRO C#CCCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928442708 645751927 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ZINC000925430964 646280309 /nfs/dbraw/zinc/28/03/09/646280309.db2.gz RJSMQUREHWKYDQ-GFCCVEGCSA-N 1 0 235.331 0.745 20 30 BCEDRO CC(C)CCN(CCC#N)C[C@@H](O)[C@H](C)O ZINC000929778309 646305047 /nfs/dbraw/zinc/30/50/47/646305047.db2.gz GKAWYICNGGLTKQ-NWDGAFQWSA-N 1 0 228.336 0.990 20 30 BCEDRO C#CC[NH+](CC#C)C[C@H](O)CCC1(O)CCC1 ZINC000929757751 646287352 /nfs/dbraw/zinc/28/73/52/646287352.db2.gz LCSMRXIDGYMNIU-CYBMUJFWSA-N 1 0 235.327 0.611 20 30 BCEDRO C#CC[NH+](CC#C)CCCCCNC(C)=O ZINC000929756840 646287614 /nfs/dbraw/zinc/28/76/14/646287614.db2.gz BPNNNEJOZCBANZ-UHFFFAOYSA-N 1 0 220.316 0.861 20 30 BCEDRO COCCN(CCC#N)C[C@@H](O)C1(O)CCC1 ZINC000929779070 646305379 /nfs/dbraw/zinc/30/53/79/646305379.db2.gz KMZHATRNUSJIAK-LLVKDONJSA-N 1 0 242.319 0.124 20 30 BCEDRO C[C@@H]1C[C@@H](N(C)C[C@H](O)CC#N)CC[N@@H+]1C ZINC000929782369 646307770 /nfs/dbraw/zinc/30/77/70/646307770.db2.gz MGUQEWDNFVITTD-GRYCIOLGSA-N 1 0 225.336 0.675 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000929825428 646342390 /nfs/dbraw/zinc/34/23/90/646342390.db2.gz LOMGWDISPZXUCY-UTUOFQBUSA-N 1 0 224.304 0.762 20 30 BCEDRO C[C@H](O)C[C@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000930081190 646423312 /nfs/dbraw/zinc/42/33/12/646423312.db2.gz ICFBHMVKDUEESG-HBNTYKKESA-N 1 0 212.293 0.496 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000930078176 646421770 /nfs/dbraw/zinc/42/17/70/646421770.db2.gz YRRRCVSTMHLUNR-NWDGAFQWSA-N 1 0 249.318 0.265 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCC1(OC)OC ZINC000925698613 646423399 /nfs/dbraw/zinc/42/33/99/646423399.db2.gz STFXGUKLWLCDNC-GHMZBOCLSA-N 1 0 229.320 0.912 20 30 BCEDRO C=CCOCCC[NH2+][C@@H]1CNCCOC1 ZINC000925707401 646432873 /nfs/dbraw/zinc/43/28/73/646432873.db2.gz IQKGKTNVVFNKFD-LLVKDONJSA-N 1 0 214.309 0.157 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(O)(COC)CC1 ZINC000930106939 646438564 /nfs/dbraw/zinc/43/85/64/646438564.db2.gz WVWJIRMMTCMSKK-LLVKDONJSA-N 1 0 229.320 0.397 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000930142380 646454444 /nfs/dbraw/zinc/45/44/44/646454444.db2.gz KHHMMHCFGBECCY-GHMZBOCLSA-N 1 0 224.304 0.230 20 30 BCEDRO C[C@@]1(CCCO)CCC[N@@H+]1C[C@H](O)CC#N ZINC000930160803 646464113 /nfs/dbraw/zinc/46/41/13/646464113.db2.gz ZVVGPPRAZWHSQG-NEPJUHHUSA-N 1 0 226.320 0.888 20 30 BCEDRO CC(C)(O)C(C)(C)[NH2+]C[C@H](O)CC#N ZINC000930170186 646472660 /nfs/dbraw/zinc/47/26/60/646472660.db2.gz VJZCLZKFLWSTAW-MRVPVSSYSA-N 1 0 200.282 0.400 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000925772852 646473827 /nfs/dbraw/zinc/47/38/27/646473827.db2.gz VKEQOYSWFJPVDR-JHJVBQTASA-N 1 0 242.363 0.670 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000925772855 646473943 /nfs/dbraw/zinc/47/39/43/646473943.db2.gz VKEQOYSWFJPVDR-XQQFMLRXSA-N 1 0 242.363 0.670 20 30 BCEDRO C=CC[N@@H+](C[C@@H](O)C[C@]1(O)CCOC1)C1CC1 ZINC000930176031 646478292 /nfs/dbraw/zinc/47/82/92/646478292.db2.gz PDXOCAXIYRWKLF-QWHCGFSZSA-N 1 0 241.331 0.539 20 30 BCEDRO N#Cc1ccc(NCCN[C@@H]2CC[NH2+]C2)nc1 ZINC000925894478 646534482 /nfs/dbraw/zinc/53/44/82/646534482.db2.gz YRUDMDQJGNSHOE-LLVKDONJSA-N 1 0 231.303 0.317 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCOC[C@H]1C(C)C ZINC000925979321 646551212 /nfs/dbraw/zinc/55/12/12/646551212.db2.gz MDRCJNYAHCZLPB-RYUDHWBXSA-N 1 0 240.347 0.939 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)c1cnnn1C ZINC000926117025 646577790 /nfs/dbraw/zinc/57/77/90/646577790.db2.gz VHXJOKADNCZYHZ-SECBINFHSA-N 1 0 210.281 0.668 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CO[C@@H](C)[C@@H]1C ZINC000926126783 646579183 /nfs/dbraw/zinc/57/91/83/646579183.db2.gz UAMIEWOLTUUDDG-GARJFASQSA-N 1 0 247.360 0.600 20 30 BCEDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CCCC#N ZINC000926131572 646579644 /nfs/dbraw/zinc/57/96/44/646579644.db2.gz FWEUGBKTKKLWMQ-UWVGGRQHSA-N 1 0 209.293 0.937 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1COC[C@@H]1C ZINC000926128092 646581071 /nfs/dbraw/zinc/58/10/71/646581071.db2.gz WDDQXOSFOKRMNL-UWVGGRQHSA-N 1 0 233.333 0.212 20 30 BCEDRO C=CC[C@@H](CO)N[C@H](C)c1nonc1C ZINC000926152906 646585762 /nfs/dbraw/zinc/58/57/62/646585762.db2.gz MBZCYPFYPFASMD-APPZFPTMSA-N 1 0 211.265 0.966 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1COC[C@@H]1C)[C@@H]1CCCO1 ZINC000926211477 646590754 /nfs/dbraw/zinc/59/07/54/646590754.db2.gz UTTHZJYHDQQFMA-YFKTTZPYSA-N 1 0 209.289 0.792 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CN2C[C@@H]1CCC2)[C@H]1CCCO1 ZINC000926209394 646595544 /nfs/dbraw/zinc/59/55/44/646595544.db2.gz DUUHEXPCHVYTID-IGQOVBAYSA-N 1 0 234.343 0.851 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001038042113 711578405 /nfs/dbraw/zinc/57/84/05/711578405.db2.gz VVKVBGFOSSHKKQ-NWDGAFQWSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1COCC[C@H]1OC ZINC000724916835 711627346 /nfs/dbraw/zinc/62/73/46/711627346.db2.gz RTFHECRSNAIIMR-GMTAPVOTSA-N 1 0 242.319 0.071 20 30 BCEDRO N#C[C@H]1CCC[N@@H+](CC[C@H]2CCNC2=O)C1 ZINC000395844261 711698009 /nfs/dbraw/zinc/69/80/09/711698009.db2.gz JSIMEIZFVWVBFJ-GHMZBOCLSA-N 1 0 221.304 0.748 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OC)[C@@H]2C1 ZINC001075590637 711747379 /nfs/dbraw/zinc/74/73/79/711747379.db2.gz AJOSYKMPOQLUTB-SDDRHHMPSA-N 1 0 236.315 0.187 20 30 BCEDRO CNC(NC[C@@H]1CC[C@@H](C(F)(F)F)O1)=[NH+]C ZINC000722395396 711753562 /nfs/dbraw/zinc/75/35/62/711753562.db2.gz WOTVJKAFZCSZQW-BQBZGAKWSA-N 1 0 239.241 0.891 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001075619692 711761090 /nfs/dbraw/zinc/76/10/90/711761090.db2.gz LSBCUNPLNVOTAJ-SDDRHHMPSA-N 1 0 231.299 0.312 20 30 BCEDRO CNC(=[NH2+])NC[C@H]1CCCO[C@@H]1C(C)C ZINC000178561250 711759201 /nfs/dbraw/zinc/75/92/01/711759201.db2.gz ZADXLKFPUGBDDH-NXEZZACHSA-N 1 0 213.325 0.972 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076664303 711807462 /nfs/dbraw/zinc/80/74/62/711807462.db2.gz OSDMNFWVPLHRLX-VXGBXAGGSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@@H](C)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000381574944 711820980 /nfs/dbraw/zinc/82/09/80/711820980.db2.gz ZKIGRNVQBLYAKV-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C=C(Br)C[NH2+]C[C@H](O)COC ZINC000070590309 711895900 /nfs/dbraw/zinc/89/59/00/711895900.db2.gz XWZLZVCARFXTSI-ZETCQYMHSA-N 1 0 224.098 0.492 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](NC(C)=O)C12CCC2 ZINC001078514566 711942912 /nfs/dbraw/zinc/94/29/12/711942912.db2.gz SBTRKPVPFWJUTA-GHMZBOCLSA-N 1 0 206.289 0.657 20 30 BCEDRO C#CCCC[NH2+][C@@H]1COCCC1(OC)OC ZINC000704745104 712115078 /nfs/dbraw/zinc/11/50/78/712115078.db2.gz CXCBOWXYOLMEMO-LLVKDONJSA-N 1 0 227.304 0.767 20 30 BCEDRO C#CC[NH2+]CC(=O)N[C@@](C)(CCC)C(=O)OC ZINC000707364048 712169040 /nfs/dbraw/zinc/16/90/40/712169040.db2.gz RIIPVJALWAFYNE-LBPRGKRZSA-N 1 0 240.303 0.057 20 30 BCEDRO C=CCCC(C)(C)CNC(=O)[C@@H](N)C[NH+](C)C ZINC000707715961 712176560 /nfs/dbraw/zinc/17/65/60/712176560.db2.gz MARKAGHGSYJRDK-NSHDSACASA-N 1 0 241.379 0.984 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@]2(OC)CCOC2)CC1 ZINC000708087684 712181474 /nfs/dbraw/zinc/18/14/74/712181474.db2.gz JUCQAQOQZFOSON-CYBMUJFWSA-N 1 0 239.315 0.252 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000708103568 712182171 /nfs/dbraw/zinc/18/21/71/712182171.db2.gz XMOJQLSMDMKULZ-GFCCVEGCSA-N 1 0 223.316 0.873 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2CN(C(C)=O)CC[C@H]21 ZINC001036604576 712199646 /nfs/dbraw/zinc/19/96/46/712199646.db2.gz HIRKHQKRIZZAMJ-VXGBXAGGSA-N 1 0 206.289 0.562 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H]2CN(C(C)=O)CC[C@H]21 ZINC001036609737 712224206 /nfs/dbraw/zinc/22/42/06/712224206.db2.gz FVCVPUYNLFBLHS-QWHCGFSZSA-N 1 0 220.316 0.952 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709813303 712228031 /nfs/dbraw/zinc/22/80/31/712228031.db2.gz GJGVFMCRDJMYNQ-NWDGAFQWSA-N 1 0 240.347 0.991 20 30 BCEDRO COC[C@H](CO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000709975832 712236497 /nfs/dbraw/zinc/23/64/97/712236497.db2.gz KZYCSSWEQAVDNS-ZJUUUORDSA-N 1 0 214.309 0.912 20 30 BCEDRO C#C[C@H]([NH2+]CCOCCC#N)[C@@H]1CCCO1 ZINC000378860134 712363339 /nfs/dbraw/zinc/36/33/39/712363339.db2.gz OHKILYMZDSRUFG-RYUDHWBXSA-N 1 0 222.288 0.687 20 30 BCEDRO C#CCCCCC(=O)NOCC[NH+](C)C ZINC000379083085 712369720 /nfs/dbraw/zinc/36/97/20/712369720.db2.gz HQBUYKOAPWVCPM-UHFFFAOYSA-N 1 0 212.293 0.789 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C=C1CCC1 ZINC000379455396 712384700 /nfs/dbraw/zinc/38/47/00/712384700.db2.gz MYRRXFHHWKZGLR-VHSXEESVSA-N 1 0 205.261 0.324 20 30 BCEDRO C[C@H](C#N)OCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000379782370 712398783 /nfs/dbraw/zinc/39/87/83/712398783.db2.gz CVTMZPQYLGBXCM-MXWKQRLJSA-N 1 0 210.277 0.778 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CCC[C@H](C#N)C1 ZINC000390610674 712421482 /nfs/dbraw/zinc/42/14/82/712421482.db2.gz ZPCNDJPZAKNGSK-VXGBXAGGSA-N 1 0 225.336 0.535 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC000715821357 712534163 /nfs/dbraw/zinc/53/41/63/712534163.db2.gz BGUCJWLGIDCPBO-SNVBAGLBSA-N 1 0 221.304 0.700 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715888301 712540172 /nfs/dbraw/zinc/54/01/72/712540172.db2.gz DMSACMZYWONAIN-VIFPVBQESA-N 1 0 224.333 0.832 20 30 BCEDRO C#CC[C@H](COC)[NH2+]CC1=CCCOC1 ZINC000716817544 712576411 /nfs/dbraw/zinc/57/64/11/712576411.db2.gz FORJMBCNDZDNQD-GFCCVEGCSA-N 1 0 209.289 0.961 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000716857256 712578972 /nfs/dbraw/zinc/57/89/72/712578972.db2.gz QHQDBKGDYDXFSM-FDYHWXHSSA-N 1 0 241.331 0.807 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cncnc1 ZINC000716928725 712596494 /nfs/dbraw/zinc/59/64/94/712596494.db2.gz MZOFUEFMLXTFNH-NSHDSACASA-N 1 0 205.261 0.605 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1c[nH]nc1C ZINC000716928316 712596391 /nfs/dbraw/zinc/59/63/91/712596391.db2.gz HQQOTEQHWCIHAI-NSHDSACASA-N 1 0 207.277 0.846 20 30 BCEDRO COCCN(C)[NH+]=Cc1cccnc1N ZINC000379989098 712644499 /nfs/dbraw/zinc/64/44/99/712644499.db2.gz WQBDJGVJUDKABP-UHFFFAOYSA-N 1 0 208.265 0.576 20 30 BCEDRO C=C[C@H](C(=O)OC)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717491865 712659827 /nfs/dbraw/zinc/65/98/27/712659827.db2.gz JRQKYYDETJLNIZ-GRYCIOLGSA-N 1 0 238.331 0.883 20 30 BCEDRO COc1cc(C)nc(NCC#CC[NH+](C)C)n1 ZINC000717605634 712662208 /nfs/dbraw/zinc/66/22/08/712662208.db2.gz HQVIWBZMNBKWGN-UHFFFAOYSA-N 1 0 234.303 0.771 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCC1(OC)OC ZINC000717536531 712660906 /nfs/dbraw/zinc/66/09/06/712660906.db2.gz ZHAHGAIDWGELFE-BDAKNGLRSA-N 1 0 201.266 0.274 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000717747143 712668893 /nfs/dbraw/zinc/66/88/93/712668893.db2.gz BNEHLTLXHTWEMW-NSHDSACASA-N 1 0 235.283 0.875 20 30 BCEDRO N#CC1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000380007054 712669719 /nfs/dbraw/zinc/66/97/19/712669719.db2.gz ZPLAHFYQTZSJGT-ZDUSSCGKSA-N 1 0 237.347 0.679 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC000717794531 712678181 /nfs/dbraw/zinc/67/81/81/712678181.db2.gz NNTUJJXTFSFGAK-VXGBXAGGSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1snnc1C ZINC000717828339 712681683 /nfs/dbraw/zinc/68/16/83/712681683.db2.gz FWGIOOYBDKOXTC-MRVPVSSYSA-N 1 0 211.290 0.320 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnn(CCC)c1 ZINC000717822187 712681359 /nfs/dbraw/zinc/68/13/59/712681359.db2.gz HEIDXGPXHBHFNT-LBPRGKRZSA-N 1 0 221.304 0.767 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000717894829 712732104 /nfs/dbraw/zinc/73/21/04/712732104.db2.gz GIFHGERVHONCGN-HTQZYQBOSA-N 1 0 225.210 0.274 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1C[C@H](C)CO1 ZINC000718398914 712756733 /nfs/dbraw/zinc/75/67/33/712756733.db2.gz SVQPZYYQHVLAOF-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C[C@H](O)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000037888445 712780947 /nfs/dbraw/zinc/78/09/47/712780947.db2.gz YCOCWAIFDNHGPK-JOYOIKCWSA-N 1 0 220.272 0.562 20 30 BCEDRO C[C@@H]1[C@@H](Nc2ccnc(C#N)c2)CC[N@@H+]1C ZINC000719604365 712815959 /nfs/dbraw/zinc/81/59/59/712815959.db2.gz UZGAKNLELLHSHW-SKDRFNHKSA-N 1 0 216.288 0.880 20 30 BCEDRO C#CCN1CC[C@@H]1CNC(=O)c1ccccn1 ZINC001037992983 712897311 /nfs/dbraw/zinc/89/73/11/712897311.db2.gz HXIDTYAAOHSQGP-LLVKDONJSA-N 1 0 229.283 0.519 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cccnc1 ZINC001038014296 712898343 /nfs/dbraw/zinc/89/83/43/712898343.db2.gz ASRGFSPLDGYKHV-CYBMUJFWSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CCCC[NH2+]C1(CO)COC(C)(C)OC1 ZINC000381272616 710614092 /nfs/dbraw/zinc/61/40/92/710614092.db2.gz WADGNYAUFQMUCO-UHFFFAOYSA-N 1 0 227.304 0.503 20 30 BCEDRO C#CCCC[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000381288780 710617803 /nfs/dbraw/zinc/61/78/03/710617803.db2.gz CLRDPLAKNGZOGX-GFCCVEGCSA-N 1 0 225.288 0.712 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCS1 ZINC000381483128 710644824 /nfs/dbraw/zinc/64/48/24/710644824.db2.gz FZXZIGUNZPIUFY-IWSPIJDZSA-N 1 0 225.317 0.110 20 30 BCEDRO CCC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000381497457 710645854 /nfs/dbraw/zinc/64/58/54/710645854.db2.gz BNDHMSROTSRACP-IUCAKERBSA-N 1 0 207.277 0.404 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)C2CC2)C1=O ZINC000381509105 710648979 /nfs/dbraw/zinc/64/89/79/710648979.db2.gz VDGBZBBKBCBGDI-WDEREUQCSA-N 1 0 224.304 0.134 20 30 BCEDRO CC(C)(C)[C@@H](CO)[NH2+]CC(=O)NCCC#N ZINC000381511845 710649433 /nfs/dbraw/zinc/64/94/33/710649433.db2.gz RGLYYPGBPRDAKU-SECBINFHSA-N 1 0 227.308 0.013 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@]1(CCC)CCOC1 ZINC000381551229 710653827 /nfs/dbraw/zinc/65/38/27/710653827.db2.gz MUSWISKGXXAHKQ-LBPRGKRZSA-N 1 0 224.304 0.285 20 30 BCEDRO CON=CC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000381549718 710653839 /nfs/dbraw/zinc/65/38/39/710653839.db2.gz MAQDZTJBHVQBOZ-SNVBAGLBSA-N 1 0 227.308 0.608 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@@](C)(O)C(=O)OC ZINC000384136389 710658587 /nfs/dbraw/zinc/65/85/87/710658587.db2.gz CAPBMNXYUXMMJI-WDEREUQCSA-N 1 0 213.277 0.302 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001038029372 712899466 /nfs/dbraw/zinc/89/94/66/712899466.db2.gz ZPDGBSOXGMRDRS-GHMZBOCLSA-N 1 0 224.304 0.542 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncccc2C)C1 ZINC001018687076 710668015 /nfs/dbraw/zinc/66/80/15/710668015.db2.gz RSCHRLFRBBODAU-LBPRGKRZSA-N 1 0 243.310 0.827 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccnn2CC)C1 ZINC001018760954 710669336 /nfs/dbraw/zinc/66/93/36/710669336.db2.gz MUHQBVPQCZLSEW-NSHDSACASA-N 1 0 248.330 0.893 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)c1ccc(C)nn1 ZINC001038242305 710680083 /nfs/dbraw/zinc/68/00/83/710680083.db2.gz WOLQOTYASDYMDY-NSHDSACASA-N 1 0 246.314 0.775 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)c1ccc(C)nn1 ZINC001038242304 710681387 /nfs/dbraw/zinc/68/13/87/710681387.db2.gz WOLQOTYASDYMDY-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO CO[C@@H]1CCOC[C@H]1[NH2+]CCO[C@@H](C)C#N ZINC000724887503 710747808 /nfs/dbraw/zinc/74/78/08/710747808.db2.gz SEINWZKMBDVDJI-HBNTYKKESA-N 1 0 228.292 0.309 20 30 BCEDRO COC[C@@H](C)N[NH+]=C(C)c1ccc(N)nc1 ZINC000382108452 710786755 /nfs/dbraw/zinc/78/67/55/710786755.db2.gz JJRDJDWQJZBVOI-MRVPVSSYSA-N 1 0 222.292 0.843 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(C)C[C@@H](C)[NH3+] ZINC000380546464 712901491 /nfs/dbraw/zinc/90/14/91/712901491.db2.gz IQJRHDWOKLNMDQ-LLVKDONJSA-N 1 0 225.336 0.466 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnon2)[C@@H](C)C1 ZINC001044786494 710830503 /nfs/dbraw/zinc/83/05/03/710830503.db2.gz BVOXNPKCJAXDOL-VHSXEESVSA-N 1 0 248.286 0.286 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NCCC#N ZINC000384179853 710805396 /nfs/dbraw/zinc/80/53/96/710805396.db2.gz PQCAMJIPUILPGX-LLVKDONJSA-N 1 0 207.277 0.408 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCOCC(=O)OCC ZINC000384181104 710807028 /nfs/dbraw/zinc/80/70/28/710807028.db2.gz QBPILLZVILVRKR-LBPRGKRZSA-N 1 0 227.304 0.958 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NCC1CC1 ZINC000384185019 710807343 /nfs/dbraw/zinc/80/73/43/710807343.db2.gz RXAINURYUUZUGT-GFCCVEGCSA-N 1 0 208.305 0.904 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCN1CCNC1=O ZINC000384186657 710812826 /nfs/dbraw/zinc/81/28/26/710812826.db2.gz SQJFDKAOFWZDCR-NSHDSACASA-N 1 0 209.293 0.403 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCOCC1 ZINC000384190593 710813605 /nfs/dbraw/zinc/81/36/05/710813605.db2.gz GXHZNDLICUQXLQ-LBPRGKRZSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCN1CC(N(C)C(=O)C[C@H]2CC[N@H+](C)C2)C1 ZINC001044189127 710821494 /nfs/dbraw/zinc/82/14/94/710821494.db2.gz RWBNPZRSCLRMTR-GFCCVEGCSA-N 1 0 249.358 0.104 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CSC)[C@@H](C)C1 ZINC001044446211 710826942 /nfs/dbraw/zinc/82/69/42/710826942.db2.gz JBMYGQLQIFTYCU-WDEREUQCSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccncc2)C1 ZINC001046103130 710848701 /nfs/dbraw/zinc/84/87/01/710848701.db2.gz PLVQRKNHGJTTNI-CQSZACIVSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046166177 710853269 /nfs/dbraw/zinc/85/32/69/710853269.db2.gz YARSKICHMJMMQQ-GFCCVEGCSA-N 1 0 232.287 0.237 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001046537091 710861328 /nfs/dbraw/zinc/86/13/28/710861328.db2.gz HAJCMBPFVIRSIQ-OWTLIXCDSA-N 1 0 248.326 0.093 20 30 BCEDRO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@@H](CNC(C)=O)C2 ZINC001048488255 710882997 /nfs/dbraw/zinc/88/29/97/710882997.db2.gz CBAUUIGCRAKIQI-CLLJXQQHSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(C)F)C[C@H]2C1 ZINC001048641053 710883824 /nfs/dbraw/zinc/88/38/24/710883824.db2.gz WLEVPEKNIWDDTL-PHIMTYICSA-N 1 0 238.306 0.758 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@H]3C)C[C@H]2C1 ZINC001048656284 710884096 /nfs/dbraw/zinc/88/40/96/710884096.db2.gz CBBXAEGTTITMIU-FVCCEPFGSA-N 1 0 232.327 0.666 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)C=C(C)C)C[C@H]2C1 ZINC001048653620 710885179 /nfs/dbraw/zinc/88/51/79/710885179.db2.gz MHLXXJQZKHZEJR-BETUJISGSA-N 1 0 232.327 0.976 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C1 ZINC001048698064 710886644 /nfs/dbraw/zinc/88/66/44/710886644.db2.gz VIBNLGXJORYLIY-TXEJJXNPSA-N 1 0 244.298 0.047 20 30 BCEDRO C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC001048724563 710887411 /nfs/dbraw/zinc/88/74/11/710887411.db2.gz BLKNKCPZRMOKFC-UPJWGTAASA-N 1 0 245.326 0.560 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)OC)C[C@H]2C1 ZINC001048710337 710887482 /nfs/dbraw/zinc/88/74/82/710887482.db2.gz ZRWHAIYCGSKOHF-UTUOFQBUSA-N 1 0 236.315 0.045 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCOC3)C[C@H]2C1 ZINC001048709904 710887704 /nfs/dbraw/zinc/88/77/04/710887704.db2.gz VHXWVDNPJBEHKE-RWMBFGLXSA-N 1 0 248.326 0.046 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](F)CC)C[C@H]2C1 ZINC001048984304 710889677 /nfs/dbraw/zinc/88/96/77/710889677.db2.gz DCAVEZYMUKVMEX-GRYCIOLGSA-N 1 0 238.306 0.758 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)CC)[C@@H]2C1 ZINC001049935783 710904422 /nfs/dbraw/zinc/90/44/22/710904422.db2.gz MKPUEAHHRYFRME-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)F)C[C@@H]1C ZINC001054315271 710928319 /nfs/dbraw/zinc/92/83/19/710928319.db2.gz FDHFYVKFNVVBSQ-VHSXEESVSA-N 1 0 226.295 0.804 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C ZINC001054320692 710929222 /nfs/dbraw/zinc/92/92/22/710929222.db2.gz YLUIVSHTAGBVMY-DTWKUNHWSA-N 1 0 230.258 0.711 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@@H]1C ZINC001054335625 710930598 /nfs/dbraw/zinc/93/05/98/710930598.db2.gz PUNBFPOKMFYMLN-WDEREUQCSA-N 1 0 232.283 0.963 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)CSC)C[C@H]1C ZINC001054361859 710931433 /nfs/dbraw/zinc/93/14/33/710931433.db2.gz VWNZSUAPQHMCLH-ZJUUUORDSA-N 1 0 228.361 0.972 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)CSC)C[C@H]1C ZINC001054361856 710931911 /nfs/dbraw/zinc/93/19/11/710931911.db2.gz VWNZSUAPQHMCLH-NXEZZACHSA-N 1 0 228.361 0.972 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C ZINC001054374647 710931919 /nfs/dbraw/zinc/93/19/19/710931919.db2.gz RTIMDWMMLAZECK-PWSUYJOCSA-N 1 0 248.330 0.656 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C ZINC001054439754 710934853 /nfs/dbraw/zinc/93/48/53/710934853.db2.gz QMICFZHOOSRVPR-MWLCHTKSSA-N 1 0 234.303 0.646 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1C ZINC001054440813 710934889 /nfs/dbraw/zinc/93/48/89/710934889.db2.gz SWEZIUABOKVJGB-GXSJLCMTSA-N 1 0 232.287 0.093 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2ccnn2C)C[C@H]1C ZINC001054468300 710935919 /nfs/dbraw/zinc/93/59/19/710935919.db2.gz AVRVWNXWWWVDNW-MNOVXSKESA-N 1 0 248.330 0.656 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1C ZINC001054482951 710936445 /nfs/dbraw/zinc/93/64/45/710936445.db2.gz UVUUIGRMOFOXHJ-WDEREUQCSA-N 1 0 246.314 0.103 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1C ZINC001054603456 710939169 /nfs/dbraw/zinc/93/91/69/710939169.db2.gz HFNWQQZESGKUKV-WCQYABFASA-N 1 0 248.326 0.403 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C ZINC001054603457 710939451 /nfs/dbraw/zinc/93/94/51/710939451.db2.gz HFNWQQZESGKUKV-YPMHNXCESA-N 1 0 248.326 0.403 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001054639332 710940371 /nfs/dbraw/zinc/94/03/71/710940371.db2.gz YUFYIBFEGBLHNX-ZJUUUORDSA-N 1 0 249.318 0.051 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cncn2C)C[C@H]1C ZINC001054866974 710942026 /nfs/dbraw/zinc/94/20/26/710942026.db2.gz PCWARLMNYIVGCJ-MNOVXSKESA-N 1 0 248.330 0.656 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cnco2)C[C@H]1C ZINC001054946381 710942785 /nfs/dbraw/zinc/94/27/85/710942785.db2.gz MQGGSYSMUPGBTH-ZJUUUORDSA-N 1 0 235.287 0.911 20 30 BCEDRO CC[NH2+]C[C@@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051608870 710957492 /nfs/dbraw/zinc/95/74/92/710957492.db2.gz LLDZQEPKSXCXRK-GFCCVEGCSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)C(F)F)CC1 ZINC001052135054 710961874 /nfs/dbraw/zinc/96/18/74/710961874.db2.gz DLBWRBBXSHXKGA-VIFPVBQESA-N 1 0 230.258 0.855 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052518864 710963611 /nfs/dbraw/zinc/96/36/11/710963611.db2.gz ODYHXALBPMAXTJ-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ncc[nH]2)CC1 ZINC001052367864 710964207 /nfs/dbraw/zinc/96/42/07/710964207.db2.gz CLXTYNVTTUWRPJ-LLVKDONJSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)CCCOC(C)C ZINC000382857184 710975155 /nfs/dbraw/zinc/97/51/55/710975155.db2.gz LOXQKLDNWDGZOG-UHFFFAOYSA-N 1 0 226.320 0.483 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](SC)C1 ZINC000382994320 710976333 /nfs/dbraw/zinc/97/63/33/710976333.db2.gz ZMQMXCWZPYUFJH-SECBINFHSA-N 1 0 212.318 0.173 20 30 BCEDRO C=CC[N@@H+](C[C@@](C)(O)C(=O)OC)C(C)C ZINC000384031700 710988427 /nfs/dbraw/zinc/98/84/27/710988427.db2.gz ZKLSFTKEECSXBM-LLVKDONJSA-N 1 0 215.293 0.807 20 30 BCEDRO C#C[C@@](C)(CC)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000384139787 710990117 /nfs/dbraw/zinc/99/01/17/710990117.db2.gz FMKMIZXYJKJJLG-OLZOCXBDSA-N 1 0 224.348 0.833 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCSCC[C@H]1C ZINC000385159977 711005602 /nfs/dbraw/zinc/00/56/02/711005602.db2.gz BBUBMJXSWMMKQG-SNVBAGLBSA-N 1 0 226.345 0.563 20 30 BCEDRO CC1(C)[C@H](O)C[C@H]1[NH2+]CCOCCC#N ZINC000385225789 711008557 /nfs/dbraw/zinc/00/85/57/711008557.db2.gz MKYZCJQENOSUEN-NXEZZACHSA-N 1 0 212.293 0.666 20 30 BCEDRO CC1(C)[C@H](O)CC[N@@H+]1CCOCCC#N ZINC000385311290 711009554 /nfs/dbraw/zinc/00/95/54/711009554.db2.gz NLARWVIQASQBGB-SNVBAGLBSA-N 1 0 212.293 0.762 20 30 BCEDRO N#CCCOCC[NH+]1CCC2(CC1)OCCO2 ZINC000385848633 711017389 /nfs/dbraw/zinc/01/73/89/711017389.db2.gz PKJLTDQFOFPBIK-UHFFFAOYSA-N 1 0 240.303 0.756 20 30 BCEDRO CNC(NCC1(O)CCC(C)CC1)=[NH+]C ZINC000386114920 711021957 /nfs/dbraw/zinc/02/19/57/711021957.db2.gz MDFCSXYIDWWJHQ-UHFFFAOYSA-N 1 0 213.325 0.722 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388194418 711053991 /nfs/dbraw/zinc/05/39/91/711053991.db2.gz NOHHVKYNDSHDMH-NXEZZACHSA-N 1 0 212.293 0.618 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCSC[C@@H]1CO ZINC000388593265 711062650 /nfs/dbraw/zinc/06/26/50/711062650.db2.gz INFKNULCWFNGFF-UWVGGRQHSA-N 1 0 230.333 0.325 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000389404641 711078513 /nfs/dbraw/zinc/07/85/13/711078513.db2.gz KJWLESJLFNIJRR-BBBLOLIVSA-N 1 0 212.293 0.664 20 30 BCEDRO C#CCCC[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000389862593 711093984 /nfs/dbraw/zinc/09/39/84/711093984.db2.gz FFNRGBFQUQCSBQ-QWRGUYRKSA-N 1 0 208.305 0.904 20 30 BCEDRO C#C[C@@H]([NH2+]C1CC(OC)C1)[C@@H]1CCCO1 ZINC000389939245 711099573 /nfs/dbraw/zinc/09/95/73/711099573.db2.gz OBQDQTDUSWBYCN-HCWSGVFWSA-N 1 0 209.289 0.934 20 30 BCEDRO C=CCS(=O)(=O)CCNCc1ccoc1 ZINC000389968809 711101242 /nfs/dbraw/zinc/10/12/42/711101242.db2.gz YSYONIQFRCNYCF-UHFFFAOYSA-N 1 0 229.301 0.970 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000390406972 711114714 /nfs/dbraw/zinc/11/47/14/711114714.db2.gz BXXHETFIKQYCBH-GHMZBOCLSA-N 1 0 246.376 0.127 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1cc(C(=O)OC)n(C)c1 ZINC000390568416 711125817 /nfs/dbraw/zinc/12/58/17/711125817.db2.gz ULNQHEGHIGBTIT-VIFPVBQESA-N 1 0 220.272 0.923 20 30 BCEDRO CNC(NCCNc1ccccc1)=[NH+]C ZINC000390775283 711133734 /nfs/dbraw/zinc/13/37/34/711133734.db2.gz DYMYQNZITMJFHA-UHFFFAOYSA-N 1 0 206.293 0.893 20 30 BCEDRO C=CCNC(=S)NC[C@H](C)[NH+](C)C ZINC000393722355 711171671 /nfs/dbraw/zinc/17/16/71/711171671.db2.gz MCMOMDBHLQRUPG-QMMMGPOBSA-N 1 0 201.339 0.587 20 30 BCEDRO C#CCOCCNc1cc(C)nc(CC)n1 ZINC000393801419 711175154 /nfs/dbraw/zinc/17/51/54/711175154.db2.gz MTKSDHCGUPDLGA-UHFFFAOYSA-N 1 0 219.288 0.831 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](NC(C)=O)CC[C@H]1C ZINC001071285975 711184951 /nfs/dbraw/zinc/18/49/51/711184951.db2.gz NYBKXBBPUHGACO-PWSUYJOCSA-N 1 0 208.305 0.999 20 30 BCEDRO CC[C@H](C)[C@H]([NH2+]CC#CCOC)C(N)=O ZINC000394432571 711191908 /nfs/dbraw/zinc/19/19/08/711191908.db2.gz WZWIOTYBTRNHOD-UWVGGRQHSA-N 1 0 212.293 0.126 20 30 BCEDRO C=CC[N@H+]1C[C@H](NC(=O)c2cn[nH]n2)CC[C@@H]1C ZINC001071635001 711197915 /nfs/dbraw/zinc/19/79/15/711197915.db2.gz MBDDQLAMDRNWLT-VHSXEESVSA-N 1 0 249.318 0.573 20 30 BCEDRO C=CCC[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071789527 711201755 /nfs/dbraw/zinc/20/17/55/711201755.db2.gz VFZKXNQZHKTOHQ-NXEZZACHSA-N 1 0 239.319 0.017 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCN1CCOCC1 ZINC000395154210 711203975 /nfs/dbraw/zinc/20/39/75/711203975.db2.gz POYWVXKRIRSYDQ-LBPRGKRZSA-N 1 0 210.321 0.710 20 30 BCEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CCOCCC#N ZINC000395302455 711207295 /nfs/dbraw/zinc/20/72/95/711207295.db2.gz BCLCAGQNEPIQLM-VXGBXAGGSA-N 1 0 225.336 0.941 20 30 BCEDRO CCNC(N[C@H](C)C[S@](C)=O)=[NH+]CC ZINC000395529222 711212164 /nfs/dbraw/zinc/21/21/64/711212164.db2.gz FFTGWCNSDPWEAS-CLAHSXSESA-N 1 0 219.354 0.328 20 30 BCEDRO CCNC(NCCC(C)(C)CO)=[NH+]CC ZINC000395584860 711213488 /nfs/dbraw/zinc/21/34/88/711213488.db2.gz WVTWARQBFVPYTN-UHFFFAOYSA-N 1 0 215.341 0.970 20 30 BCEDRO CCNC(NC[C@@H](O)C(C)C)=[NH+]CC ZINC000395552358 711213519 /nfs/dbraw/zinc/21/35/19/711213519.db2.gz URWWAGBJCKEYPP-SECBINFHSA-N 1 0 201.314 0.578 20 30 BCEDRO CCNC(NC[C@H](C)CCCO)=[NH+]CC ZINC000395562535 711213720 /nfs/dbraw/zinc/21/37/20/711213720.db2.gz HENZRYGZSJAZPV-SNVBAGLBSA-N 1 0 215.341 0.970 20 30 BCEDRO CCNC(NCC1(O)CCCC1)=[NH+]CC ZINC000395630178 711214481 /nfs/dbraw/zinc/21/44/81/711214481.db2.gz OSRZOLSNKWEOOE-UHFFFAOYSA-N 1 0 213.325 0.867 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)C3(C)CC3)C2)C1 ZINC001072763362 711399856 /nfs/dbraw/zinc/39/98/56/711399856.db2.gz ZKWWHDAVZCUWRS-UHFFFAOYSA-N 1 0 232.327 0.954 20 30 BCEDRO C=C(Br)CNC(=O)CC1([NH3+])CC1 ZINC000398075183 711400686 /nfs/dbraw/zinc/40/06/86/711400686.db2.gz OIQLFKRKPYAVDR-UHFFFAOYSA-N 1 0 233.109 0.893 20 30 BCEDRO C=CC[N@@H+]1CCCO[C@@H](CNC(=O)C2CC2)C1 ZINC001073499858 711440873 /nfs/dbraw/zinc/44/08/73/711440873.db2.gz XWHHZMHEEOQVBY-LBPRGKRZSA-N 1 0 238.331 0.790 20 30 BCEDRO Cn1cc(C=NNC(N)=[NH2+])c2ccccc21 ZINC000380847155 710592009 /nfs/dbraw/zinc/59/20/09/710592009.db2.gz CIPYDIFPSXHGKT-UHFFFAOYSA-N 1 0 215.260 0.995 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010649439 710593017 /nfs/dbraw/zinc/59/30/17/710593017.db2.gz HDYZAVVRBOKPHQ-NSHDSACASA-N 1 0 244.298 0.876 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)c1cnc(C)n1C ZINC001038633054 710610550 /nfs/dbraw/zinc/61/05/50/710610550.db2.gz FFHVBRHYZJIKDL-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C#C[C@@H]([NH2+]CCCS(C)(=O)=O)[C@H]1CCCO1 ZINC000381358498 710628217 /nfs/dbraw/zinc/62/82/17/710628217.db2.gz DYCBMDJROGQFQI-GHMZBOCLSA-N 1 0 245.344 0.192 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038599597 710697319 /nfs/dbraw/zinc/69/73/19/710697319.db2.gz IRABNICKNVUMKM-NNYUYHANSA-N 1 0 236.315 0.255 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnco2)[C@H](C)C1 ZINC001044696754 710829417 /nfs/dbraw/zinc/82/94/17/710829417.db2.gz IFPGMYAMNPSSIW-GHMZBOCLSA-N 1 0 247.298 0.891 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@@H](C)C1 ZINC001044722654 710829754 /nfs/dbraw/zinc/82/97/54/710829754.db2.gz OAXOYWGMWDMXRB-VHSXEESVSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1nccn1CC ZINC000383029049 710841574 /nfs/dbraw/zinc/84/15/74/710841574.db2.gz CEMLHZBMVGTEDA-UHFFFAOYSA-N 1 0 234.347 0.948 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)c2cccn2C)C1 ZINC001046148820 710851733 /nfs/dbraw/zinc/85/17/33/710851733.db2.gz DXDSLNJVHJFLIO-AWEZNQCLSA-N 1 0 245.326 0.853 20 30 BCEDRO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C(C)=O)C2 ZINC001054060793 710922296 /nfs/dbraw/zinc/92/22/96/710922296.db2.gz RSUAYKVNVRINJE-CYBMUJFWSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccoc2)C[C@H]1C ZINC001054379099 710932434 /nfs/dbraw/zinc/93/24/34/710932434.db2.gz DOTKLCZCSCVGKJ-PWSUYJOCSA-N 1 0 232.283 0.963 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C(C)C)C[C@H]1C ZINC001054398058 710934142 /nfs/dbraw/zinc/93/41/42/710934142.db2.gz IYPZACMECJPQBK-MNOVXSKESA-N 1 0 208.305 0.712 20 30 BCEDRO C=CC(C)(C)C(=O)N1C[C@H](C)[C@H]([NH2+]CCO)C1 ZINC001054976308 710943308 /nfs/dbraw/zinc/94/33/08/710943308.db2.gz KOQNFIYFTOKJIK-WDEREUQCSA-N 1 0 240.347 0.627 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001054843001 710941546 /nfs/dbraw/zinc/94/15/46/710941546.db2.gz ZURPMQNLTMINJO-WPRPVWTQSA-N 1 0 235.291 0.041 20 30 BCEDRO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@H]([NH2+]CCO)C1 ZINC001054976305 710943608 /nfs/dbraw/zinc/94/36/08/710943608.db2.gz KOQNFIYFTOKJIK-GHMZBOCLSA-N 1 0 240.347 0.627 20 30 BCEDRO C#CC[N@H+]1CC=C(CNC(=O)c2cnon2)CC1 ZINC001001280864 710950673 /nfs/dbraw/zinc/95/06/73/710950673.db2.gz AMGUWOHJHRDJLA-UHFFFAOYSA-N 1 0 246.270 0.065 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C(C)(C)C#N)C[C@@H]2C1 ZINC000383652086 710984683 /nfs/dbraw/zinc/98/46/83/710984683.db2.gz HPHLLZCJEYNQFE-MNOVXSKESA-N 1 0 235.331 0.946 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](c2n[nH]cc2CNC(C)=O)C1 ZINC001070388999 711137360 /nfs/dbraw/zinc/13/73/60/711137360.db2.gz WXKLEEXDDHNKIU-LLVKDONJSA-N 1 0 246.314 0.468 20 30 BCEDRO CCNC(NCc1nnc(C)[nH]1)=[NH+]CC ZINC000392579953 711148658 /nfs/dbraw/zinc/14/86/58/711148658.db2.gz YHRQAKSNFLEMHC-UHFFFAOYSA-N 1 0 210.285 0.188 20 30 BCEDRO C#CCN1C[C@@H](NC(=O)c2ccn[nH]2)CC[C@H]1C ZINC001071366647 711190077 /nfs/dbraw/zinc/19/00/77/711190077.db2.gz QVDNXSKLLXVTNG-MNOVXSKESA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)C(C)(C)F)C2)C1 ZINC001072382840 711363543 /nfs/dbraw/zinc/36/35/43/711363543.db2.gz SKABVCKGACYBFP-UHFFFAOYSA-N 1 0 238.306 0.902 20 30 BCEDRO C=CCC[N@@H+]1CCCO[C@H](CNC(C)=O)C1 ZINC001073506096 711439871 /nfs/dbraw/zinc/43/98/71/711439871.db2.gz OUIVINIQMPPAJL-GFCCVEGCSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000970075393 711466266 /nfs/dbraw/zinc/46/62/66/711466266.db2.gz OIDWSWRWHHCHRX-GFCCVEGCSA-N 1 0 246.314 0.857 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001020818865 711467979 /nfs/dbraw/zinc/46/79/79/711467979.db2.gz GYRIUNSBXHGJLA-XYPYZODXSA-N 1 0 248.330 0.765 20 30 BCEDRO C#CCCN1CC[C@@H]1CNC(=O)c1coc(C)n1 ZINC001038198388 711487971 /nfs/dbraw/zinc/48/79/71/711487971.db2.gz OMALSDOIQIRBFA-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2OCC)C1 ZINC001021856901 711506895 /nfs/dbraw/zinc/50/68/95/711506895.db2.gz PRGBDVPORVTKEP-USZNOCQGSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CCNC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000891567567 711536395 /nfs/dbraw/zinc/53/63/95/711536395.db2.gz IQUQJDXMPTXWFG-UHFFFAOYSA-N 1 0 235.331 0.936 20 30 BCEDRO C#C[C@H]([NH2+][C@H](CO)C(=C)C)[C@H]1CCCO1 ZINC000308816130 711566443 /nfs/dbraw/zinc/56/64/43/711566443.db2.gz AQHLXYBXRGAEFY-QJPTWQEYSA-N 1 0 209.289 0.694 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)C(F)(F)F ZINC000716340609 711572810 /nfs/dbraw/zinc/57/28/10/711572810.db2.gz NXOWTOVLEISYFM-JGVFFNPUSA-N 1 0 225.210 0.538 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001023024955 711609213 /nfs/dbraw/zinc/60/92/13/711609213.db2.gz NUMUBDBMVQHUJN-PHIMTYICSA-N 1 0 246.314 0.131 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@@H]1COC(C)(C)C1 ZINC000717750730 711617064 /nfs/dbraw/zinc/61/70/64/711617064.db2.gz VRDOPPHNKNUZRO-QWRGUYRKSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000717795936 711623014 /nfs/dbraw/zinc/62/30/14/711623014.db2.gz WJMOAEXZEKABNT-QJPTWQEYSA-N 1 0 211.305 0.775 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972568130 711633649 /nfs/dbraw/zinc/63/36/49/711633649.db2.gz ONAGZDFNFZYXMO-VIFPVBQESA-N 1 0 235.291 0.137 20 30 BCEDRO C#C[C@H]([NH2+]CC#CCOC)[C@H]1CCCO1 ZINC000308950151 711653518 /nfs/dbraw/zinc/65/35/18/711653518.db2.gz OUGCFKXRVXSLJB-NWDGAFQWSA-N 1 0 207.273 0.407 20 30 BCEDRO COC(=O)N[C@H]1CC[N@H+](CCCC#N)C1 ZINC000228259220 711697508 /nfs/dbraw/zinc/69/75/08/711697508.db2.gz ZBKDMYAUODZRNB-VIFPVBQESA-N 1 0 211.265 0.720 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CC)C1 ZINC001027257192 711721232 /nfs/dbraw/zinc/72/12/32/711721232.db2.gz QUWGAURWHVIPTF-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)COC)C1 ZINC001027258039 711722888 /nfs/dbraw/zinc/72/28/88/711722888.db2.gz IMNVZWVZWBPMTF-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001075569429 711729907 /nfs/dbraw/zinc/72/99/07/711729907.db2.gz RNMGXFCKXNTIHM-CMPLNLGQSA-N 1 0 244.298 0.189 20 30 BCEDRO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3ccn[nH]3)[C@@H]2C1 ZINC001075569565 711729933 /nfs/dbraw/zinc/72/99/33/711729933.db2.gz XTVWRKUYQMUQAG-CMPLNLGQSA-N 1 0 246.314 0.742 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccncc1 ZINC001027721492 711733360 /nfs/dbraw/zinc/73/33/60/711733360.db2.gz KCNUNDMNLQECLR-ZDUSSCGKSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccncc1 ZINC001027721491 711733490 /nfs/dbraw/zinc/73/34/90/711733490.db2.gz KCNUNDMNLQECLR-CYBMUJFWSA-N 1 0 243.310 0.909 20 30 BCEDRO CNC(NC[C@@H]1CC[C@@H](C2CC2)O1)=[NH+]C ZINC000722334693 711739323 /nfs/dbraw/zinc/73/93/23/711739323.db2.gz VZBRHPHQCQTUIO-UWVGGRQHSA-N 1 0 211.309 0.739 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001027897324 711742854 /nfs/dbraw/zinc/74/28/54/711742854.db2.gz KXEJPBLYLAPIQV-LBPRGKRZSA-N 1 0 231.299 0.842 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ccnnc2)C1 ZINC001028827149 711767860 /nfs/dbraw/zinc/76/78/60/711767860.db2.gz OYBAMRRUXNMTTH-LLVKDONJSA-N 1 0 244.298 0.162 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001028826709 711767869 /nfs/dbraw/zinc/76/78/69/711767869.db2.gz JARDNVNYLRKJCE-NSHDSACASA-N 1 0 246.314 0.714 20 30 BCEDRO N#CCN1CCC([NH2+][C@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924997819 711768005 /nfs/dbraw/zinc/76/80/05/711768005.db2.gz AJIADOBGRSGASS-JSGCOSHPSA-N 1 0 248.374 0.658 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2nonc2C)C1 ZINC001029017762 711771191 /nfs/dbraw/zinc/77/11/91/711771191.db2.gz UISWVTXARXECQX-SNVBAGLBSA-N 1 0 248.286 0.063 20 30 BCEDRO CCNC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000304993055 711785698 /nfs/dbraw/zinc/78/56/98/711785698.db2.gz DUBYVYVCAULNCY-VIFPVBQESA-N 1 0 215.297 0.106 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cncn2C)[C@H]1C ZINC000986495050 711788564 /nfs/dbraw/zinc/78/85/64/711788564.db2.gz JXAUYSBSGNHAKW-WDEREUQCSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+]CC(=O)N(C)Cc1cc(C)on1 ZINC000086156810 711791289 /nfs/dbraw/zinc/79/12/89/711791289.db2.gz YXYTWJWUCHREPL-UHFFFAOYSA-N 1 0 221.260 0.164 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccnc2)C1 ZINC000987804354 711792292 /nfs/dbraw/zinc/79/22/92/711792292.db2.gz UYVHAHZPDDWANS-YPMHNXCESA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[C@H]1NC(=O)N(CC[NH+](CC)CC)C1=O ZINC000925271408 711793795 /nfs/dbraw/zinc/79/37/95/711793795.db2.gz HAKMXYZYWKYGDS-SNVBAGLBSA-N 1 0 237.303 0.272 20 30 BCEDRO C=C(Cl)CNC(=O)C(=C)C[NH+](C)C ZINC000379390144 711801064 /nfs/dbraw/zinc/80/10/64/711801064.db2.gz NBKWKSACOFHSGI-UHFFFAOYSA-N 1 0 202.685 0.973 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001076672180 711807607 /nfs/dbraw/zinc/80/76/07/711807607.db2.gz IBUUEBYFLZKYOT-VXGBXAGGSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)F)C1 ZINC001076670356 711807617 /nfs/dbraw/zinc/80/76/17/711807617.db2.gz GBLORLLKEWQKOB-NXEZZACHSA-N 1 0 244.310 0.472 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C=C2CCC2)C1 ZINC001076868873 711809808 /nfs/dbraw/zinc/80/98/08/711809808.db2.gz GTUSGDWIPVANBE-CHWSQXEVSA-N 1 0 248.326 0.281 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H](O)C1(C)C ZINC000907535412 711815934 /nfs/dbraw/zinc/81/59/34/711815934.db2.gz SPEGDIQOIFVRAL-MNOVXSKESA-N 1 0 240.347 0.770 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)NCC#CC[NH+](C)C ZINC000913523197 711823141 /nfs/dbraw/zinc/82/31/41/711823141.db2.gz PXQRZMJNQROEIN-UHFFFAOYSA-N 1 0 244.298 0.192 20 30 BCEDRO COCC(C)(C)CC(=O)NCC#CC[NH+](C)C ZINC000913523110 711823145 /nfs/dbraw/zinc/82/31/45/711823145.db2.gz MLLYXJLUALMDIW-UHFFFAOYSA-N 1 0 240.347 0.730 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cnn(C2CC2)c1 ZINC000913524699 711823269 /nfs/dbraw/zinc/82/32/69/711823269.db2.gz YYUOIEINCDIHBI-UHFFFAOYSA-N 1 0 246.314 0.513 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1CCCC1 ZINC000913514341 711823347 /nfs/dbraw/zinc/82/33/47/711823347.db2.gz MYXQMGIEZUKCDF-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)/C=C/c1ccco1 ZINC000913514408 711823357 /nfs/dbraw/zinc/82/33/57/711823357.db2.gz OXSJNIHGPFYJSR-BQYQJAHWSA-N 1 0 232.283 0.974 20 30 BCEDRO CCOC1(C(=O)NCC#CC[NH+](C)C)CCC1 ZINC000913524700 711823386 /nfs/dbraw/zinc/82/33/86/711823386.db2.gz ZAUCFOYSWINTGX-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C[C@H](C(=O)NCC#CC[NH+](C)C)[C@H]1CCCO1 ZINC000913524421 711823448 /nfs/dbraw/zinc/82/34/48/711823448.db2.gz MHVFSAWTWTZDIO-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1=COCCC1 ZINC000913518528 711823815 /nfs/dbraw/zinc/82/38/15/711823815.db2.gz SROOLSNNMDYKQT-UHFFFAOYSA-N 1 0 222.288 0.362 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000167949990 711831060 /nfs/dbraw/zinc/83/10/60/711831060.db2.gz PRUWBTCLFVKEKS-JGVFFNPUSA-N 1 0 202.685 0.853 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)CC)[C@H]1C ZINC000992931574 711861842 /nfs/dbraw/zinc/86/18/42/711861842.db2.gz SNJINJIMKTYYDE-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)CC)[C@H]1C ZINC000992931575 711861976 /nfs/dbraw/zinc/86/19/76/711861976.db2.gz SNJINJIMKTYYDE-MNOVXSKESA-N 1 0 208.305 0.999 20 30 BCEDRO CC[C@H](CO)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000916571656 711873149 /nfs/dbraw/zinc/87/31/49/711873149.db2.gz LOACNFYORRTRDH-LLVKDONJSA-N 1 0 247.298 0.857 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C(F)F)C1 ZINC001032850823 711963430 /nfs/dbraw/zinc/96/34/30/711963430.db2.gz VWKUQKQRZUFBLF-SECBINFHSA-N 1 0 230.258 0.808 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)CC2CC2)C1 ZINC001032859734 711964005 /nfs/dbraw/zinc/96/40/05/711964005.db2.gz YYJUGFBNTNMLGM-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnccn2)C1 ZINC001032878578 711965891 /nfs/dbraw/zinc/96/58/91/711965891.db2.gz CCSCKWDLFQCFLG-LLVKDONJSA-N 1 0 246.314 0.809 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccnn2C)C1 ZINC001032946039 711969094 /nfs/dbraw/zinc/96/90/94/711969094.db2.gz SXPFUGCKPKLETI-NSHDSACASA-N 1 0 248.330 0.752 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001032983150 711970417 /nfs/dbraw/zinc/97/04/17/711970417.db2.gz XBJBPNDQDKLWQQ-GFCCVEGCSA-N 1 0 248.330 0.671 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn(C)c2)C1 ZINC001033007380 711970676 /nfs/dbraw/zinc/97/06/76/711970676.db2.gz BFUZPSHWNZEWTE-ZDUSSCGKSA-N 1 0 245.326 0.805 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033056647 711972816 /nfs/dbraw/zinc/97/28/16/711972816.db2.gz GCHJJZJDYGYMIF-SNVBAGLBSA-N 1 0 249.318 0.147 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC001033063440 711973631 /nfs/dbraw/zinc/97/36/31/711973631.db2.gz BDWYIYYTRHTRKC-NXEZZACHSA-N 1 0 242.269 0.808 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033062250 711973751 /nfs/dbraw/zinc/97/37/51/711973751.db2.gz CINURZMHAOIGPB-JTQLQIEISA-N 1 0 249.318 0.147 20 30 BCEDRO CN(C)C(=O)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000037886641 711974275 /nfs/dbraw/zinc/97/42/75/711974275.db2.gz CJCASTYGMNYINZ-GFCCVEGCSA-N 1 0 247.298 0.269 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001038093591 711978701 /nfs/dbraw/zinc/97/87/01/711978701.db2.gz ADHVUHAJUAVQFD-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001038093590 711978775 /nfs/dbraw/zinc/97/87/75/711978775.db2.gz ADHVUHAJUAVQFD-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001038093589 711978778 /nfs/dbraw/zinc/97/87/78/711978778.db2.gz ADHVUHAJUAVQFD-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CC23CC3)C1 ZINC001033450126 711992367 /nfs/dbraw/zinc/99/23/67/711992367.db2.gz RDDGBMLNESBPHZ-VXGBXAGGSA-N 1 0 232.327 0.952 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000700445874 711995316 /nfs/dbraw/zinc/99/53/16/711995316.db2.gz OLVHHKLWKXSLJE-SDDRHHMPSA-N 1 0 238.331 0.075 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1C=CCC1 ZINC000700562569 711996188 /nfs/dbraw/zinc/99/61/88/711996188.db2.gz OSBPEXDYFKHGHY-ZJUUUORDSA-N 1 0 207.277 0.842 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033512638 711997931 /nfs/dbraw/zinc/99/79/31/711997931.db2.gz IJRCVCVDTKJOSW-JTQLQIEISA-N 1 0 249.318 0.527 20 30 BCEDRO C[N@@H+]1C[C@@H]2CN(c3ccnc(C#N)n3)C[C@]2(C)C1 ZINC000702405411 712051026 /nfs/dbraw/zinc/05/10/26/712051026.db2.gz PGXMDNFLHIJMPM-MFKMUULPSA-N 1 0 243.314 0.736 20 30 BCEDRO C[N@@H+]1C[C@@H]2CN(c3ccc(C#N)nn3)C[C@]2(C)C1 ZINC000702464704 712054032 /nfs/dbraw/zinc/05/40/32/712054032.db2.gz HULONXNMKJGMLS-MFKMUULPSA-N 1 0 243.314 0.736 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(c1ccc(C#N)cn1)C2 ZINC000703539368 712077890 /nfs/dbraw/zinc/07/78/90/712077890.db2.gz ZOIQDCKJNFXVDZ-WCQYABFASA-N 1 0 228.299 0.999 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(c1cccnc1C#N)C2 ZINC000703618300 712081185 /nfs/dbraw/zinc/08/11/85/712081185.db2.gz DIYCLMXWUVKDAG-GXFFZTMASA-N 1 0 228.299 0.999 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000703705127 712084319 /nfs/dbraw/zinc/08/43/19/712084319.db2.gz FONCPFFXQXPYMK-UWVGGRQHSA-N 1 0 212.293 0.385 20 30 BCEDRO CC[NH2+]C[C@H]1CCCN1C(=O)[C@H](C)C#N ZINC001034887132 712099323 /nfs/dbraw/zinc/09/93/23/712099323.db2.gz TUAAHZJQSZIYQT-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)O[C@@H](C)COC ZINC000704297763 712103154 /nfs/dbraw/zinc/10/31/54/712103154.db2.gz RXOMKXSCMFOVEL-NSHDSACASA-N 1 0 242.319 0.703 20 30 BCEDRO CC(C)([NH3+])CNC(=O)Cc1ccc(C#N)cc1 ZINC000704665155 712112933 /nfs/dbraw/zinc/11/29/33/712112933.db2.gz KMLIWZUMFXIEFZ-UHFFFAOYSA-N 1 0 231.299 0.954 20 30 BCEDRO C[C@@H]([NH3+])CCNC(=O)Cc1ccc(C#N)cc1 ZINC000704665990 712114241 /nfs/dbraw/zinc/11/42/41/712114241.db2.gz SOWOWUVTRFHGSR-SNVBAGLBSA-N 1 0 231.299 0.954 20 30 BCEDRO C[C@@H](C[NH3+])N(C)C(=O)Cc1ccc(C#N)cc1 ZINC000704665417 712114288 /nfs/dbraw/zinc/11/42/88/712114288.db2.gz MNHHSSKAWXCVCO-JTQLQIEISA-N 1 0 231.299 0.906 20 30 BCEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000705374005 712130693 /nfs/dbraw/zinc/13/06/93/712130693.db2.gz FXMDJBDOMOPKJS-DGCLKSJQSA-N 1 0 239.363 0.971 20 30 BCEDRO C[C@H](CC(C)(C)C#N)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000705374012 712130897 /nfs/dbraw/zinc/13/08/97/712130897.db2.gz FXMDJBDOMOPKJS-YPMHNXCESA-N 1 0 239.363 0.971 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000705371231 712131055 /nfs/dbraw/zinc/13/10/55/712131055.db2.gz LLZGUCSJDITNQT-UWVGGRQHSA-N 1 0 207.277 0.453 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(F)F)C[C@@H]1C ZINC001035880028 712146875 /nfs/dbraw/zinc/14/68/75/712146875.db2.gz XWLMWJJMAMABRU-DTWKUNHWSA-N 1 0 230.258 0.711 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccnnc1C ZINC000706469903 712146881 /nfs/dbraw/zinc/14/68/81/712146881.db2.gz QMDZSWAXMUZXLB-UHFFFAOYSA-N 1 0 246.314 0.470 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)COC)C[C@@H]1C ZINC001035871310 712148507 /nfs/dbraw/zinc/14/85/07/712148507.db2.gz WPHKMKDOFDGQLV-WDEREUQCSA-N 1 0 224.304 0.093 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C ZINC001035931626 712150594 /nfs/dbraw/zinc/15/05/94/712150594.db2.gz ANCOQHRMVNMVIN-JQWIXIFHSA-N 1 0 246.314 0.483 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001036219150 712164897 /nfs/dbraw/zinc/16/48/97/712164897.db2.gz NFVBXUQRCMEEJJ-UWVGGRQHSA-N 1 0 249.318 0.431 20 30 BCEDRO CC1(C)CC(=O)NCC[N@@H+]1CCOCCC#N ZINC000708108851 712181730 /nfs/dbraw/zinc/18/17/30/712181730.db2.gz YJOHBMNSTZWZBX-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO C#CC1(O)CC[NH+](CCc2cnn(C)c2)CC1 ZINC000708134977 712182760 /nfs/dbraw/zinc/18/27/60/712182760.db2.gz WJXDVBZIZFPHOQ-UHFFFAOYSA-N 1 0 233.315 0.423 20 30 BCEDRO C#CCOCC[N@@H+](C)C[C@H](C)C(=O)OC ZINC000708318388 712186331 /nfs/dbraw/zinc/18/63/31/712186331.db2.gz NMQQSMCSCBPQLH-JTQLQIEISA-N 1 0 213.277 0.377 20 30 BCEDRO N#CCCCC[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709802551 712227622 /nfs/dbraw/zinc/22/76/22/712227622.db2.gz BPCYHJGSKPBKMH-NWDGAFQWSA-N 1 0 226.320 0.745 20 30 BCEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC(=O)N(C)C ZINC000709978687 712236561 /nfs/dbraw/zinc/23/65/61/712236561.db2.gz DFTHSMFHPYYNKH-SECBINFHSA-N 1 0 211.309 0.993 20 30 BCEDRO C#CCCCS(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000710311085 712251415 /nfs/dbraw/zinc/25/14/15/712251415.db2.gz QEAHFPSJIUZEMB-NSHDSACASA-N 1 0 246.376 0.659 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000710883028 712261309 /nfs/dbraw/zinc/26/13/09/712261309.db2.gz OCZDDBKYLBQJEP-WDEREUQCSA-N 1 0 244.360 0.434 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000710913767 712263039 /nfs/dbraw/zinc/26/30/39/712263039.db2.gz WJKKWKSOZWLSGS-VIFPVBQESA-N 1 0 232.349 0.622 20 30 BCEDRO C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000710996986 712273660 /nfs/dbraw/zinc/27/36/60/712273660.db2.gz NEVDIKRRPRZAJB-JTQLQIEISA-N 1 0 242.344 0.166 20 30 BCEDRO C#CCCS(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000710996523 712273818 /nfs/dbraw/zinc/27/38/18/712273818.db2.gz JYJKNISPQVNQBV-LLVKDONJSA-N 1 0 244.360 0.223 20 30 BCEDRO C#CCCS(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000711173763 712287466 /nfs/dbraw/zinc/28/74/66/712287466.db2.gz BZHMWLVDLVYFGU-UHFFFAOYSA-N 1 0 246.376 0.517 20 30 BCEDRO C#CCCS(=O)(=O)NCCC[NH+](CC)CC ZINC000711175262 712288138 /nfs/dbraw/zinc/28/81/38/712288138.db2.gz QSAUFRAHHUNMMW-UHFFFAOYSA-N 1 0 246.376 0.661 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001079401974 712348333 /nfs/dbraw/zinc/34/83/33/712348333.db2.gz UFMQTTFPMLPSPQ-ZYHUDNBSSA-N 1 0 246.314 0.103 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001079460863 712348721 /nfs/dbraw/zinc/34/87/21/712348721.db2.gz HRGANVKVECWHCQ-BXKDBHETSA-N 1 0 246.314 0.401 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccon2)C1 ZINC001079444541 712349267 /nfs/dbraw/zinc/34/92/67/712349267.db2.gz YYUBFTOMNOUCGY-MWLCHTKSSA-N 1 0 235.287 0.911 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnn2C)C1 ZINC001079481313 712349272 /nfs/dbraw/zinc/34/92/72/712349272.db2.gz CSMZHEPQSDLPIH-GHMZBOCLSA-N 1 0 246.314 0.103 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001079668744 712349777 /nfs/dbraw/zinc/34/97/77/712349777.db2.gz SHBFZEWKYUERPU-GHMZBOCLSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001079739681 712349928 /nfs/dbraw/zinc/34/99/28/712349928.db2.gz BWLFJXKNNWTWQY-ZYHUDNBSSA-N 1 0 231.299 0.698 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001080587246 712353669 /nfs/dbraw/zinc/35/36/69/712353669.db2.gz DFOSLLRVRKGXAC-MWLCHTKSSA-N 1 0 248.330 0.954 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncccn2)C1 ZINC001080653839 712354293 /nfs/dbraw/zinc/35/42/93/712354293.db2.gz RUYDOLXLIMCLRR-GHMZBOCLSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@]1(CC)CCOC1 ZINC000378865195 712364777 /nfs/dbraw/zinc/36/47/77/712364777.db2.gz YUGMEXYYDHVMPN-GFCCVEGCSA-N 1 0 224.304 0.285 20 30 BCEDRO CC[N@H+](CCCO)CCO[C@@H](C)C#N ZINC000379486009 712385653 /nfs/dbraw/zinc/38/56/53/712385653.db2.gz IQDXGQNBDQGCKS-JTQLQIEISA-N 1 0 200.282 0.619 20 30 BCEDRO C#CCNC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000796427160 712424912 /nfs/dbraw/zinc/42/49/12/712424912.db2.gz BDWORZNVZWONTE-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNc1ccc(C#N)nn1 ZINC000712591757 712435499 /nfs/dbraw/zinc/43/54/99/712435499.db2.gz MHTUFGPQLKITQP-JTQLQIEISA-N 1 0 217.276 0.854 20 30 BCEDRO CN1CC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000712598441 712436700 /nfs/dbraw/zinc/43/67/00/712436700.db2.gz ITOSVWCTZLXIPC-SECBINFHSA-N 1 0 205.261 0.945 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1cn(CC)nn1 ZINC000714929944 712500642 /nfs/dbraw/zinc/50/06/42/712500642.db2.gz YQHAGEIONWQFJK-UHFFFAOYSA-N 1 0 235.335 0.343 20 30 BCEDRO CCNC(NCc1ccc[nH]c1=O)=[NH+]CC ZINC000714964899 712503222 /nfs/dbraw/zinc/50/32/22/712503222.db2.gz OCIQWQKPRZGZSJ-UHFFFAOYSA-N 1 0 222.292 0.862 20 30 BCEDRO C=CC[C@H](C)N1CCC[C@H]([NH2+]CCO)C1 ZINC000715003309 712503883 /nfs/dbraw/zinc/50/38/83/712503883.db2.gz VCFFRFWYDMBMLV-RYUDHWBXSA-N 1 0 212.337 0.997 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715117723 712510301 /nfs/dbraw/zinc/51/03/01/712510301.db2.gz CUSLYMMVDIXUTL-FXQIFTODSA-N 1 0 218.247 0.907 20 30 BCEDRO C=C(Cl)CNC(=O)C12CC[NH+](CC1)C2 ZINC000715776025 712532455 /nfs/dbraw/zinc/53/24/55/712532455.db2.gz CLDOUEHETMEJES-UHFFFAOYSA-N 1 0 214.696 0.951 20 30 BCEDRO CC[C@@](C)(C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000715842930 712532896 /nfs/dbraw/zinc/53/28/96/712532896.db2.gz NRCDLAIEIAVCHE-NSHDSACASA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)c1cn(C)nn1 ZINC000715888299 712540363 /nfs/dbraw/zinc/54/03/63/712540363.db2.gz DMSACMZYWONAIN-SECBINFHSA-N 1 0 224.333 0.832 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716830739 712577245 /nfs/dbraw/zinc/57/72/45/712577245.db2.gz YFDJZPHDVUEZCL-WHXUTIOJSA-N 1 0 245.344 0.190 20 30 BCEDRO CON=CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000809639147 712584638 /nfs/dbraw/zinc/58/46/38/712584638.db2.gz IOHRHAOBKZBQRW-UHFFFAOYSA-N 1 0 241.335 0.951 20 30 BCEDRO CC(C)CCOCCNC1=[NH+]C[C@@H](C)N1 ZINC000379813073 712607364 /nfs/dbraw/zinc/60/73/64/712607364.db2.gz PEEXBOUNQVOHIX-SNVBAGLBSA-N 1 0 213.325 0.986 20 30 BCEDRO C#CC1(F)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H](C)C2)C1 ZINC000881941090 712634976 /nfs/dbraw/zinc/63/49/76/712634976.db2.gz XOKAITUCLATYMI-QWRGUYRKSA-N 1 0 238.306 0.900 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]C[C@H](O)[C@@H](C)O ZINC000717281089 712644199 /nfs/dbraw/zinc/64/41/99/712644199.db2.gz RZLMHOHINVFRMH-YPMHNXCESA-N 1 0 249.310 0.530 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000717286795 712645140 /nfs/dbraw/zinc/64/51/40/712645140.db2.gz FLRDCYATHCWYKE-XCBNKYQSSA-N 1 0 226.301 0.451 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000717296758 712645572 /nfs/dbraw/zinc/64/55/72/712645572.db2.gz OQMCDYATEDHAOE-SKDRFNHKSA-N 1 0 220.272 0.390 20 30 BCEDRO C[C@H](O)[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000717378094 712652774 /nfs/dbraw/zinc/65/27/74/712652774.db2.gz XFGAMZSQTKDRFA-KWBADKCTSA-N 1 0 234.299 0.951 20 30 BCEDRO C=CCC1(O)CC[NH+](C[C@H](O)COCC)CC1 ZINC000717408080 712656082 /nfs/dbraw/zinc/65/60/82/712656082.db2.gz WJOYOEWVUHOWMX-LBPRGKRZSA-N 1 0 243.347 0.787 20 30 BCEDRO C=CCC1(O)CC[NH+](CCC(=O)NC)CC1 ZINC000717425685 712658165 /nfs/dbraw/zinc/65/81/65/712658165.db2.gz XXVQAOVFWOIZNU-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000717569487 712661130 /nfs/dbraw/zinc/66/11/30/712661130.db2.gz CFPQWFDSWFLJHX-OPRDCNLKSA-N 1 0 212.293 0.180 20 30 BCEDRO Cc1cc(NCC#CC[NH+](C)C)c(C#N)cn1 ZINC000717598169 712661208 /nfs/dbraw/zinc/66/12/08/712661208.db2.gz ABRYYYSBGDDXAS-UHFFFAOYSA-N 1 0 228.299 0.661 20 30 BCEDRO Cc1cc(NCC#CC[NH+](C)C)n2ncnc2n1 ZINC000717625833 712661777 /nfs/dbraw/zinc/66/17/77/712661777.db2.gz CHWFLTUKSAUDTG-UHFFFAOYSA-N 1 0 244.302 0.410 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+][C@H](CO)C1CCC1 ZINC000717617877 712662662 /nfs/dbraw/zinc/66/26/62/712662662.db2.gz JYVPXWSNUBHDCG-GXSJLCMTSA-N 1 0 212.293 0.666 20 30 BCEDRO Cc1ccc(O)c(C(=O)NCC#CC[NH+](C)C)c1 ZINC000717679589 712664202 /nfs/dbraw/zinc/66/42/02/712664202.db2.gz LRGRILVNQXKDBJ-UHFFFAOYSA-N 1 0 246.310 0.995 20 30 BCEDRO Cc1nsc(NCC#CC[NH+](C)C)n1 ZINC000717680231 712664231 /nfs/dbraw/zinc/66/42/31/712664231.db2.gz RYYKZCXSUHQJPS-UHFFFAOYSA-N 1 0 210.306 0.823 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccccc1O ZINC000717680523 712664263 /nfs/dbraw/zinc/66/42/63/712664263.db2.gz ZOAUDSSDWIYNHU-UHFFFAOYSA-N 1 0 232.283 0.687 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]CC1=CCCOC1 ZINC000717709734 712666403 /nfs/dbraw/zinc/66/64/03/712666403.db2.gz LBTGJJMGKUAHIR-LBPRGKRZSA-N 1 0 209.289 0.697 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]C1CCN(C2CC2)CC1 ZINC000717727684 712667729 /nfs/dbraw/zinc/66/77/29/712667729.db2.gz IXGIKUQQCYOKNI-ZDUSSCGKSA-N 1 0 236.359 0.977 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000717734150 712667881 /nfs/dbraw/zinc/66/78/81/712667881.db2.gz UUDDVSCZNFXWOQ-HTQZYQBOSA-N 1 0 225.210 0.274 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1COCC1(C)C ZINC000717731375 712668123 /nfs/dbraw/zinc/66/81/23/712668123.db2.gz BJKVQUJXLHIQQN-GHMZBOCLSA-N 1 0 211.305 0.775 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCN(CCOC)C1 ZINC000717732122 712668222 /nfs/dbraw/zinc/66/82/22/712668222.db2.gz HDBGXNFMVXOXTL-QWHCGFSZSA-N 1 0 240.347 0.071 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]CCCc1cnn(C)c1 ZINC000717763576 712674206 /nfs/dbraw/zinc/67/42/06/712674206.db2.gz GKHVTESBJDJMKS-ZDUSSCGKSA-N 1 0 235.331 0.717 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccccc1F ZINC000717785006 712676304 /nfs/dbraw/zinc/67/63/04/712676304.db2.gz AKDDCAWZKUETOT-GXFFZTMASA-N 1 0 237.274 0.833 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cn(C)nc1C ZINC000717785907 712676972 /nfs/dbraw/zinc/67/69/72/712676972.db2.gz GORPIEWFEMDIFO-NSHDSACASA-N 1 0 207.277 0.202 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000717794688 712678223 /nfs/dbraw/zinc/67/82/23/712678223.db2.gz PEFYBWBPPUGSEI-SNVBAGLBSA-N 1 0 249.266 0.595 20 30 BCEDRO C#CC1(O)CC[NH+](CC[C@@H]2CCOC2=O)CC1 ZINC000931144243 712713502 /nfs/dbraw/zinc/71/35/02/712713502.db2.gz SZVBFICOHVFBBI-LLVKDONJSA-N 1 0 237.299 0.400 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)COCC(C)C ZINC000717894537 712731961 /nfs/dbraw/zinc/73/19/61/712731961.db2.gz FERLUTDAULLQHL-QWHCGFSZSA-N 1 0 243.347 0.384 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cnc2n1CCC2 ZINC000719154705 712798749 /nfs/dbraw/zinc/79/87/49/712798749.db2.gz XDLVZDZEJKEAJU-NSHDSACASA-N 1 0 233.315 0.957 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)C(C)(C)C#N)CC[N@@H+]1C ZINC000719356012 712805113 /nfs/dbraw/zinc/80/51/13/712805113.db2.gz XWRINLDQEUTGCB-RKDXNWHRSA-N 1 0 209.293 0.745 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000719353894 712805430 /nfs/dbraw/zinc/80/54/30/712805430.db2.gz KARYHRVCBOWMHR-IVZWLZJFSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)o2)CC[N@@H+]1C ZINC000719365285 712805855 /nfs/dbraw/zinc/80/58/55/712805855.db2.gz YQFYNXNWGXPCKQ-PSASIEDQSA-N 1 0 233.271 0.974 20 30 BCEDRO C[C@H]1[C@@H](Nc2cnc(C#N)cn2)CC[N@@H+]1C ZINC000719603906 712816041 /nfs/dbraw/zinc/81/60/41/712816041.db2.gz ULQQUWXGEBZZQK-WPRPVWTQSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@H]1[C@H](Nc2cncc(C#N)n2)CC[N@@H+]1C ZINC000719772579 712824023 /nfs/dbraw/zinc/82/40/23/712824023.db2.gz BFCSWEOYGBOIDQ-WCBMZHEXSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+][C@H](CCO)C1CC1 ZINC000380258993 712848950 /nfs/dbraw/zinc/84/89/50/712848950.db2.gz QZGJCNLPSAKWIM-GXSJLCMTSA-N 1 0 212.293 0.666 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000720819014 712868088 /nfs/dbraw/zinc/86/80/88/712868088.db2.gz XFQGFLKZDPWYKO-OUAUKWLOSA-N 1 0 221.304 0.841 20 30 BCEDRO C#CCOCC[NH2+][C@@H](C)c1ccnn1C ZINC000380315835 712882817 /nfs/dbraw/zinc/88/28/17/712882817.db2.gz IVJGSJGVKCCPBV-JTQLQIEISA-N 1 0 207.277 0.721 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)COC)C[C@@H]1CC ZINC001037752366 712886572 /nfs/dbraw/zinc/88/65/72/712886572.db2.gz MXAUFZWBRFIGSF-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@@H](C#N)C1 ZINC000383991829 712887529 /nfs/dbraw/zinc/88/75/29/712887529.db2.gz NHRNTRINIVFBQC-STQMWFEESA-N 1 0 239.363 0.923 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nccnc1C#N ZINC001164630590 719153195 /nfs/dbraw/zinc/15/31/95/719153195.db2.gz JKZCOUTVCKKMGY-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(c2cncc(C#N)n2)C1 ZINC000401331431 721887782 /nfs/dbraw/zinc/88/77/82/721887782.db2.gz NLXTZAXSXWDJAR-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO CN(CC#N)C(=O)C[N@H+](C)CC(C)(C)C ZINC000602086224 349433676 /nfs/dbraw/zinc/43/36/76/349433676.db2.gz NCIKVYFPOGZGEV-UHFFFAOYSA-N 1 0 211.309 0.946 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCN1CCCOCC1 ZINC000187856591 136208197 /nfs/dbraw/zinc/20/81/97/136208197.db2.gz DGDKPUQMSRHGMV-UHFFFAOYSA-N 1 0 240.351 0.189 20 30 BCEDRO CN(CC#N)C(=O)C12CCC[NH+](CCC1)C2 ZINC000602086726 349434511 /nfs/dbraw/zinc/43/45/11/349434511.db2.gz QOIVTLGUWFHLLR-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160769169 538906117 /nfs/dbraw/zinc/90/61/17/538906117.db2.gz UTIHAJVXEQEOQV-ONGXEEELSA-N 1 0 226.320 0.380 20 30 BCEDRO C[NH+](C)CC1(C(=O)N2CCOC[C@@H]2C#N)CC1 ZINC000602106651 349443066 /nfs/dbraw/zinc/44/30/66/349443066.db2.gz FGVVVARMGLTCPX-JTQLQIEISA-N 1 0 237.303 0.079 20 30 BCEDRO C[NH+](C)CC1(C(=O)N2CC[C@@](F)(C#N)C2)CC1 ZINC000602141432 349451282 /nfs/dbraw/zinc/45/12/82/349451282.db2.gz NOOWLODDBGPOET-GFCCVEGCSA-N 1 0 239.294 0.792 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(C)(C#N)C2)C1 ZINC000602143066 349451813 /nfs/dbraw/zinc/45/18/13/349451813.db2.gz RTXQXDPBSSMSCM-JTQLQIEISA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@H](C(=O)N(C)CC(C)(C)C#N)[NH+](C)C ZINC000602156875 349464845 /nfs/dbraw/zinc/46/48/45/349464845.db2.gz ZYPHIAKQIHSQEO-SECBINFHSA-N 1 0 211.309 0.945 20 30 BCEDRO NC(=[NH2+])NCCc1nccn1Cc1ccccc1 ZINC000161493811 349465251 /nfs/dbraw/zinc/46/52/51/349465251.db2.gz GMNLTXOJOZFZAX-UHFFFAOYSA-N 1 0 243.314 0.747 20 30 BCEDRO N#C[C@@H](CO)NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602159222 349465414 /nfs/dbraw/zinc/46/54/14/349465414.db2.gz QUBRAPGGHAQMQV-GXSJLCMTSA-N 1 0 237.303 0.004 20 30 BCEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)NCCC#N ZINC000408256633 136212989 /nfs/dbraw/zinc/21/29/89/136212989.db2.gz OLGIBHODDPRPHL-NXEZZACHSA-N 1 0 209.293 0.889 20 30 BCEDRO CC#CCNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000272653490 398148236 /nfs/dbraw/zinc/14/82/36/398148236.db2.gz FZXAUCLBLPMAJY-NSHDSACASA-N 1 0 235.331 0.959 20 30 BCEDRO CC#CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000277872885 398154380 /nfs/dbraw/zinc/15/43/80/398154380.db2.gz ZYUZMRQBGJDSHU-GHMZBOCLSA-N 1 0 208.305 0.808 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](O)CC(=O)OCC ZINC000382472294 398172211 /nfs/dbraw/zinc/17/22/11/398172211.db2.gz CXZBJTXFGKRPOP-SNVBAGLBSA-N 1 0 215.293 0.808 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H](C)[C@@H](C)[NH3+])nn1 ZINC000424205052 398175739 /nfs/dbraw/zinc/17/57/39/398175739.db2.gz FRUPFYQLZQDEDG-DTWKUNHWSA-N 1 0 237.307 0.064 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]2CCC[NH2+]C2)nn1 ZINC000424205573 398175776 /nfs/dbraw/zinc/17/57/76/398175776.db2.gz GFBXHTSLDGZHAA-JTQLQIEISA-N 1 0 249.318 0.080 20 30 BCEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)N(C)C ZINC000308851148 136216938 /nfs/dbraw/zinc/21/69/38/136216938.db2.gz OJOJHERJKMLMDX-AEJSXWLSSA-N 1 0 209.293 0.745 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCC(C)(C)C(=O)OC ZINC000308963712 136217146 /nfs/dbraw/zinc/21/71/46/136217146.db2.gz TXKMTVVFBRRSJO-SECBINFHSA-N 1 0 215.293 0.712 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCOC2(C)C)C1=O ZINC000451241069 398199030 /nfs/dbraw/zinc/19/90/30/398199030.db2.gz JRLSKJNYPKFTER-QWRGUYRKSA-N 1 0 238.331 0.930 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H](C)c1nccs1 ZINC000182190383 136218995 /nfs/dbraw/zinc/21/89/95/136218995.db2.gz WUDWXSXJKQFNNE-QMMMGPOBSA-N 1 0 242.348 0.797 20 30 BCEDRO C=C[C@@H](CO)[NH2+][C@@H](CC)Cn1cncn1 ZINC000336744655 136219621 /nfs/dbraw/zinc/21/96/21/136219621.db2.gz ZRONEQKJBDAIOZ-UWVGGRQHSA-N 1 0 210.281 0.193 20 30 BCEDRO CC#CCN(C)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000615407059 365562986 /nfs/dbraw/zinc/56/29/86/365562986.db2.gz PXSUYKKGTKFVEA-JTQLQIEISA-N 1 0 231.299 0.996 20 30 BCEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)CCCO ZINC000302313744 136221506 /nfs/dbraw/zinc/22/15/06/136221506.db2.gz BLPVUXMFPCABKU-GFCCVEGCSA-N 1 0 241.335 0.355 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000650001010 398213458 /nfs/dbraw/zinc/21/34/58/398213458.db2.gz PNSFSWVDKMCRLB-VXGBXAGGSA-N 1 0 211.305 0.993 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000494685158 538927278 /nfs/dbraw/zinc/92/72/78/538927278.db2.gz ILFOXKAMZXXHJM-UPJWGTAASA-N 1 0 242.363 0.574 20 30 BCEDRO C[NH+](C)[C@H](CNc1ccnc(C#N)n1)C1CC1 ZINC000576360541 365577189 /nfs/dbraw/zinc/57/71/89/365577189.db2.gz UWUBSZGLFJSPBP-SNVBAGLBSA-N 1 0 231.303 0.522 20 30 BCEDRO N#CCCCC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000576332757 365567520 /nfs/dbraw/zinc/56/75/20/365567520.db2.gz OJZVRFXMPOMTRG-MNOVXSKESA-N 1 0 212.293 0.355 20 30 BCEDRO C=CC[C@H](C)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000122474970 136222234 /nfs/dbraw/zinc/22/22/34/136222234.db2.gz UYFOHGVCEMHGMA-VHSXEESVSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C[C@@H]1COCC[NH2+]1 ZINC000122475180 136222255 /nfs/dbraw/zinc/22/22/55/136222255.db2.gz UYFOHGVCEMHGMA-NXEZZACHSA-N 1 0 212.293 0.446 20 30 BCEDRO CN1C[C@H]([N@H+](C)CCCC#N)CCC1=O ZINC000576421451 365592356 /nfs/dbraw/zinc/59/23/56/365592356.db2.gz MBCMUHCTHOZOSR-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000650029279 398223299 /nfs/dbraw/zinc/22/32/99/398223299.db2.gz JAIATEAGHZKXOE-XQQFMLRXSA-N 1 0 240.347 0.376 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418373798 192029425 /nfs/dbraw/zinc/02/94/25/192029425.db2.gz BZMGKCKIWIGUHJ-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418373800 192029749 /nfs/dbraw/zinc/02/97/49/192029749.db2.gz BZMGKCKIWIGUHJ-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418387931 192031861 /nfs/dbraw/zinc/03/18/61/192031861.db2.gz UJRNAFWTHXOXAE-GHMZBOCLSA-N 1 0 241.335 0.222 20 30 BCEDRO C=CC[C@@H](C)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418393637 192032503 /nfs/dbraw/zinc/03/25/03/192032503.db2.gz FMRNTMLGSHLXMD-SCZZXKLOSA-N 1 0 211.309 0.988 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418411212 192034347 /nfs/dbraw/zinc/03/43/47/192034347.db2.gz WNUZVXMMUJWOPK-SNVBAGLBSA-N 1 0 209.293 0.388 20 30 BCEDRO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629916813 361774345 /nfs/dbraw/zinc/77/43/45/361774345.db2.gz WROWAOJCBWSZRL-AAEUAGOBSA-N 1 0 240.347 0.772 20 30 BCEDRO N#CC1(C(=O)N[C@H](C[NH3+])C2CC2)CC2(CC2)C1 ZINC000602435401 349522564 /nfs/dbraw/zinc/52/25/64/349522564.db2.gz SWGYYNDVKGWYER-SNVBAGLBSA-N 1 0 233.315 0.924 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCSC[C@@H](C)C1 ZINC000190482525 398230713 /nfs/dbraw/zinc/23/07/13/398230713.db2.gz IEUMGEWQRQVHPQ-JTQLQIEISA-N 1 0 228.361 0.974 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418447086 192036219 /nfs/dbraw/zinc/03/62/19/192036219.db2.gz BSWIFPYKGPROCC-KOLCDFICSA-N 1 0 241.335 0.208 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000418442836 192036549 /nfs/dbraw/zinc/03/65/49/192036549.db2.gz FFPMKMXVHLUEGO-RYUDHWBXSA-N 1 0 249.314 0.533 20 30 BCEDRO CNC(=O)CNC(NCc1cccs1)=[NH+]C ZINC000073653995 343991505 /nfs/dbraw/zinc/99/15/05/343991505.db2.gz YNTIOFKTVOGSER-UHFFFAOYSA-N 1 0 240.332 0.159 20 30 BCEDRO N#CC1(C(=O)N2CC[NH2+]CC2)CC2(CC2)C1 ZINC000602420749 349528090 /nfs/dbraw/zinc/52/80/90/349528090.db2.gz FMKOPMCCHGNQTA-UHFFFAOYSA-N 1 0 219.288 0.502 20 30 BCEDRO CCC(C#N)(CC)C(=O)N1CC[C@@H]([NH3+])C1 ZINC000602421585 349528350 /nfs/dbraw/zinc/52/83/50/349528350.db2.gz OLWOSPPJHWSROB-SECBINFHSA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCOCC ZINC000093317710 398243119 /nfs/dbraw/zinc/24/31/19/398243119.db2.gz KOTHOHVFSXKGKO-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO N#CC1(C(=O)N2CCC(C[NH3+])CC2)CCC1 ZINC000602425734 349532631 /nfs/dbraw/zinc/53/26/31/349532631.db2.gz UTMSOCFKCSAAES-UHFFFAOYSA-N 1 0 221.304 0.878 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCCSCC#N ZINC000193635039 136228846 /nfs/dbraw/zinc/22/88/46/136228846.db2.gz WAGPEFLYOAGMAB-NXEZZACHSA-N 1 0 241.360 0.747 20 30 BCEDRO CN(C(=O)C1(C#N)CC2(CC2)C1)[C@@H]1CC[NH2+]C1 ZINC000602429710 349534115 /nfs/dbraw/zinc/53/41/15/349534115.db2.gz SNDCIPCIYVUAIC-SNVBAGLBSA-N 1 0 233.315 0.891 20 30 BCEDRO CC(C)[C@H]([NH3+])CNC(=O)C1(C#N)CCC1 ZINC000602433201 349536653 /nfs/dbraw/zinc/53/66/53/349536653.db2.gz LQBJVZMZHIHFMZ-SECBINFHSA-N 1 0 209.293 0.780 20 30 BCEDRO C=CCOCCNC(=O)C[N@@H+](C)C1CCC1 ZINC000629979675 361826502 /nfs/dbraw/zinc/82/65/02/361826502.db2.gz SUYBMXBIFSJIGW-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCSC[C@@H](C)C1 ZINC000294496390 398262492 /nfs/dbraw/zinc/26/24/92/398262492.db2.gz IATSXXKHJIHDOJ-NSHDSACASA-N 1 0 240.372 0.811 20 30 BCEDRO CNC(=O)CC[N@H+](C)C[C@@H](C)CCC#N ZINC000602458761 349554693 /nfs/dbraw/zinc/55/46/93/349554693.db2.gz KPRJYBFJXZCPFR-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C[C@@H](O)CN1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602462624 349556213 /nfs/dbraw/zinc/55/62/13/349556213.db2.gz NPWQLYRYVRHRDC-QWHCGFSZSA-N 1 0 239.363 0.925 20 30 BCEDRO C[C@H](CCC#N)C[NH+]1CCN(C[C@H](C)O)CC1 ZINC000602462623 349556408 /nfs/dbraw/zinc/55/64/08/349556408.db2.gz NPWQLYRYVRHRDC-OLZOCXBDSA-N 1 0 239.363 0.925 20 30 BCEDRO C[C@H](O)CN1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602462625 349556832 /nfs/dbraw/zinc/55/68/32/349556832.db2.gz NPWQLYRYVRHRDC-STQMWFEESA-N 1 0 239.363 0.925 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@@H](C)C[NH3+] ZINC000418476692 192039681 /nfs/dbraw/zinc/03/96/81/192039681.db2.gz TYEIZNAXCDHLHO-UWVGGRQHSA-N 1 0 229.324 0.065 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)N[C@@H](C[NH3+])CCCC ZINC000418477550 192039795 /nfs/dbraw/zinc/03/97/95/192039795.db2.gz YAPUIYCMILPWFW-MNOVXSKESA-N 1 0 243.351 0.740 20 30 BCEDRO C[C@H](CC[NH3+])NC(=O)C1(C#N)CC2(CC2)C1 ZINC000602486579 349568000 /nfs/dbraw/zinc/56/80/00/349568000.db2.gz UZZOKLLJPUJETF-SECBINFHSA-N 1 0 221.304 0.924 20 30 BCEDRO CC[NH2+][C@H](C)CNC(=O)C1(C#N)CCC1 ZINC000602490780 349571343 /nfs/dbraw/zinc/57/13/43/349571343.db2.gz USIGOCUBFWXENP-SECBINFHSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000296656166 398267512 /nfs/dbraw/zinc/26/75/12/398267512.db2.gz JMFLZTNMOHUUET-NSHDSACASA-N 1 0 242.319 0.962 20 30 BCEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1c[nH]cn1 ZINC000346941587 136234071 /nfs/dbraw/zinc/23/40/71/136234071.db2.gz PDFLKLKSIVRKCZ-UHFFFAOYSA-N 1 0 249.318 0.717 20 30 BCEDRO C=CCCSCCNC(=O)[C@H]1OCC[C@H]1[NH3+] ZINC000602530524 349579635 /nfs/dbraw/zinc/57/96/35/349579635.db2.gz RNNWKBVGQSGPKR-ZJUUUORDSA-N 1 0 244.360 0.528 20 30 BCEDRO N#CC1(C(=O)N2CCCO[C@@H](C[NH3+])C2)CCC1 ZINC000602512345 349585811 /nfs/dbraw/zinc/58/58/11/349585811.db2.gz XRGNXWARDMWSNN-JTQLQIEISA-N 1 0 237.303 0.256 20 30 BCEDRO C[N@@H+]1CCCN(c2cncc(C#N)n2)CC1 ZINC000259787064 349587971 /nfs/dbraw/zinc/58/79/71/349587971.db2.gz STPVLFMUEXMSJG-UHFFFAOYSA-N 1 0 217.276 0.490 20 30 BCEDRO C[C@H](CS(C)(=O)=O)[NH2+]C[C@@H](C)CCC#N ZINC000602544280 349588815 /nfs/dbraw/zinc/58/88/15/349588815.db2.gz HGHBRRHBATXFOQ-VHSXEESVSA-N 1 0 232.349 0.949 20 30 BCEDRO CCN(CC[NH3+])C(=O)CC1(C#N)CCOCC1 ZINC000602533759 349602315 /nfs/dbraw/zinc/60/23/15/349602315.db2.gz CANGSFJZPJKRIV-UHFFFAOYSA-N 1 0 239.319 0.504 20 30 BCEDRO CCN(CC[NH3+])C(=O)C1(C#N)CCCC1 ZINC000602535741 349603101 /nfs/dbraw/zinc/60/31/01/349603101.db2.gz RDGGQXQHDVYSJT-UHFFFAOYSA-N 1 0 209.293 0.878 20 30 BCEDRO C[C@@H]1CC[C@@H](NC(=O)C2(C#N)CCC2)C[NH2+]1 ZINC000602551839 349593456 /nfs/dbraw/zinc/59/34/56/349593456.db2.gz GBBDTTOFQPZDRQ-NXEZZACHSA-N 1 0 221.304 0.937 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)CC2(C#N)CC2)C1 ZINC000590221914 346851208 /nfs/dbraw/zinc/85/12/08/346851208.db2.gz NKFVWXGVLMTGTH-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CCCS(C)(=O)=O ZINC000602539540 349604594 /nfs/dbraw/zinc/60/45/94/349604594.db2.gz IIAWRIAIWGHZTP-SNVBAGLBSA-N 1 0 232.349 0.951 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000334635886 398271320 /nfs/dbraw/zinc/27/13/20/398271320.db2.gz HKOMJAZDPOEGLG-JTQLQIEISA-N 1 0 204.277 0.926 20 30 BCEDRO COC[C@H](CCO)[NH2+]C[C@@H](C)CCC#N ZINC000602557248 349597747 /nfs/dbraw/zinc/59/77/47/349597747.db2.gz YKURWULKGZORCD-QWRGUYRKSA-N 1 0 214.309 0.913 20 30 BCEDRO N#CC1CCC([NH2+]C[C@]2(O)CCOC2)CC1 ZINC000602582942 349609948 /nfs/dbraw/zinc/60/99/48/349609948.db2.gz SGHYTTACUYWCNB-HTAVTVPLSA-N 1 0 224.304 0.810 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418489991 192041557 /nfs/dbraw/zinc/04/15/57/192041557.db2.gz PKXUMLRIFJQNBE-WPRPVWTQSA-N 1 0 211.309 0.988 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH+](CCO)CCO)C1 ZINC000600179063 342696886 /nfs/dbraw/zinc/69/68/86/342696886.db2.gz HCBMOTIPRZIJFD-MNOVXSKESA-N 1 0 212.293 0.355 20 30 BCEDRO N#Cc1ccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)o1 ZINC000309582560 342715788 /nfs/dbraw/zinc/71/57/88/342715788.db2.gz QVSFJCYQHSFEPS-UWVGGRQHSA-N 1 0 217.272 0.802 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000602592020 349614902 /nfs/dbraw/zinc/61/49/02/349614902.db2.gz GNKHOIGMCPVAOO-FOGDFJRCSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000602592021 349614940 /nfs/dbraw/zinc/61/49/40/349614940.db2.gz GNKHOIGMCPVAOO-JFGNBEQYSA-N 1 0 221.304 0.747 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000616382679 342746491 /nfs/dbraw/zinc/74/64/91/342746491.db2.gz QPVOMZNPPURKAD-GCZXYKMCSA-N 1 0 240.347 0.912 20 30 BCEDRO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@H](C)CC#N ZINC000602593388 349615621 /nfs/dbraw/zinc/61/56/21/349615621.db2.gz NSHVKNSDKQCSPI-RKDXNWHRSA-N 1 0 241.291 0.027 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000320255970 342732881 /nfs/dbraw/zinc/73/28/81/342732881.db2.gz JCPJZGJCBSVWAA-VXGBXAGGSA-N 1 0 239.319 0.161 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000616386578 342751491 /nfs/dbraw/zinc/75/14/91/342751491.db2.gz XDZAYUGSPVXOOD-VHSXEESVSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418459688 192043577 /nfs/dbraw/zinc/04/35/77/192043577.db2.gz JUPCKSJKRCYUSP-LPEHRKFASA-N 1 0 211.309 0.988 20 30 BCEDRO CC#CCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000607725340 342782266 /nfs/dbraw/zinc/78/22/66/342782266.db2.gz AQVSMZPJAXINGW-CYBMUJFWSA-N 1 0 222.332 0.806 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000602594469 349619429 /nfs/dbraw/zinc/61/94/29/349619429.db2.gz XGYBXCXLNKYXTK-RKDXNWHRSA-N 1 0 245.273 0.992 20 30 BCEDRO C=CCN(C(=O)C[C@H](C[NH3+])OC)C1CC1 ZINC000232124114 342787975 /nfs/dbraw/zinc/78/79/75/342787975.db2.gz DYXXEOVGJWULRC-SNVBAGLBSA-N 1 0 212.293 0.527 20 30 BCEDRO Cc1cc(C[N@H+]2C[C@H](O)C[C@H](O)C2)ccc1C#N ZINC000618594168 342790648 /nfs/dbraw/zinc/79/06/48/342790648.db2.gz KBLOOOVUMCMKIJ-OKILXGFUSA-N 1 0 246.310 0.794 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000588753032 398285931 /nfs/dbraw/zinc/28/59/31/398285931.db2.gz IAIYPVSQOVSDHH-GXSJLCMTSA-N 1 0 242.298 0.584 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@H](C)C[NH2+]C)C(=O)OC ZINC000602603285 349626076 /nfs/dbraw/zinc/62/60/76/349626076.db2.gz XLNJAONMSKGODZ-NXEZZACHSA-N 1 0 242.319 0.466 20 30 BCEDRO COCC[NH2+]CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000602603518 349626242 /nfs/dbraw/zinc/62/62/42/349626242.db2.gz UAWDRKCSJUPOFT-MNOVXSKESA-N 1 0 239.319 0.373 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@@H](C)C[NH2+]C)C(=O)OC ZINC000602603287 349626301 /nfs/dbraw/zinc/62/63/01/349626301.db2.gz XLNJAONMSKGODZ-UWVGGRQHSA-N 1 0 242.319 0.466 20 30 BCEDRO COCC#CCN[C@@H](CCO)c1ccco1 ZINC000381656085 539005734 /nfs/dbraw/zinc/00/57/34/539005734.db2.gz FHAOREDIKYEOGE-NSHDSACASA-N 1 0 223.272 0.943 20 30 BCEDRO C[C@H](CNc1ncncc1C#N)C[NH+](C)C ZINC000309739995 342839842 /nfs/dbraw/zinc/83/98/42/342839842.db2.gz HNNZVUONDUFCQR-SECBINFHSA-N 1 0 219.292 0.958 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000388232387 539014778 /nfs/dbraw/zinc/01/47/78/539014778.db2.gz YKLHWABBKIAEIT-NEPJUHHUSA-N 1 0 240.347 0.724 20 30 BCEDRO N#CCN1CCC([NH2+]Cc2cn[nH]c2)CC1 ZINC000309596560 398304264 /nfs/dbraw/zinc/30/42/64/398304264.db2.gz UVGAQRODODBGRA-UHFFFAOYSA-N 1 0 219.292 0.487 20 30 BCEDRO Cc1cc(C[NH+]2C[C@H](O)[C@@H](O)C2)ccc1C#N ZINC000489049889 398307609 /nfs/dbraw/zinc/30/76/09/398307609.db2.gz YJPBABQGESCAJQ-STQMWFEESA-N 1 0 232.283 0.404 20 30 BCEDRO N#C[C@@H]1CCC[C@H]1NC(=O)NCC[NH+]1CCC1 ZINC000329656550 136244557 /nfs/dbraw/zinc/24/45/57/136244557.db2.gz MOXNJMZETRYIFV-WDEREUQCSA-N 1 0 236.319 0.888 20 30 BCEDRO CC(C)(C#N)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000602607957 349631139 /nfs/dbraw/zinc/63/11/39/349631139.db2.gz NTJJLYKVSODMFO-VIFPVBQESA-N 1 0 209.293 0.794 20 30 BCEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)Cn1cncn1 ZINC000602611430 349634569 /nfs/dbraw/zinc/63/45/69/349634569.db2.gz LMFKFDJOEVJEOR-UWVGGRQHSA-N 1 0 207.281 0.948 20 30 BCEDRO CO[C@H](C[NH2+]C[C@@H](C)C#N)[C@H]1CCOC1 ZINC000602608927 349633005 /nfs/dbraw/zinc/63/30/05/349633005.db2.gz ZUNFFLUDOVYPED-GARJFASQSA-N 1 0 212.293 0.787 20 30 BCEDRO C[NH+](C)C(C)(C)CNc1ccnc(C#N)n1 ZINC000380779912 398321008 /nfs/dbraw/zinc/32/10/08/398321008.db2.gz BPXWKUZCYKHCTI-UHFFFAOYSA-N 1 0 219.292 0.522 20 30 BCEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCCNC(=O)C1 ZINC000602610215 349633627 /nfs/dbraw/zinc/63/36/27/349633627.db2.gz GUMXQSLNGRRVQN-UWVGGRQHSA-N 1 0 209.293 0.937 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC000124609074 398314951 /nfs/dbraw/zinc/31/49/51/398314951.db2.gz AWLLESFYAGVGBD-SNVBAGLBSA-N 1 0 231.303 0.736 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](COC)OC ZINC000233869651 342893338 /nfs/dbraw/zinc/89/33/38/342893338.db2.gz LXUURWVZFGKKAB-UWVGGRQHSA-N 1 0 200.282 0.930 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418569251 192051810 /nfs/dbraw/zinc/05/18/10/192051810.db2.gz HTJRUXXBDMFVSA-OUAUKWLOSA-N 1 0 238.335 0.785 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000602611689 349635809 /nfs/dbraw/zinc/63/58/09/349635809.db2.gz DZMOJLLHHAHVBB-OUAUKWLOSA-N 1 0 212.293 0.354 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000351572206 136247067 /nfs/dbraw/zinc/24/70/67/136247067.db2.gz CILXOSUKNCCGKR-SNVBAGLBSA-N 1 0 238.287 0.828 20 30 BCEDRO CCN(C)C(=O)C[NH2+]C[C@@H](C)CCC#N ZINC000602618690 349639581 /nfs/dbraw/zinc/63/95/81/349639581.db2.gz DRZVCZRPOZRKTB-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)C(=O)N(C)C ZINC000602630549 349647328 /nfs/dbraw/zinc/64/73/28/349647328.db2.gz MOZQWFREBWRDJE-UWVGGRQHSA-N 1 0 211.309 0.993 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@@H]([NH3+])CC)C(=O)OC ZINC000602598336 349644976 /nfs/dbraw/zinc/64/49/76/349644976.db2.gz BHTHUMDJJFZOEV-DTWKUNHWSA-N 1 0 228.292 0.348 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@@H](C)C[NH3+])C(=O)OC ZINC000602598355 349645027 /nfs/dbraw/zinc/64/50/27/349645027.db2.gz BOUXXWDNMFLMDZ-DTWKUNHWSA-N 1 0 228.292 0.205 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)CC[C@@H](C)[NH3+])C(=O)OC ZINC000602600886 349646462 /nfs/dbraw/zinc/64/64/62/349646462.db2.gz PURPJLUXEFDACS-NXEZZACHSA-N 1 0 242.319 0.738 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]Cc1cn(C)nn1 ZINC000602600804 349646509 /nfs/dbraw/zinc/64/65/09/349646509.db2.gz HQLUCVWJLWJHAN-VIFPVBQESA-N 1 0 207.281 0.845 20 30 BCEDRO C[C@@H](CCC#N)C[NH+]1CCN(C(=O)CO)CC1 ZINC000602652673 349660039 /nfs/dbraw/zinc/66/00/39/349660039.db2.gz JEBKHFORCOLFGO-NSHDSACASA-N 1 0 239.319 0.063 20 30 BCEDRO COC[C@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602639650 349653341 /nfs/dbraw/zinc/65/33/41/349653341.db2.gz XVDWTWSQKCBRSD-ILDUYXDCSA-N 1 0 212.293 0.666 20 30 BCEDRO C#CCNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000176484814 166178343 /nfs/dbraw/zinc/17/83/43/166178343.db2.gz WKHJLVXAPNJWMP-NXEZZACHSA-N 1 0 221.304 0.544 20 30 BCEDRO C[C@H]1C[N@H+](C)CCN1c1nccc(C#N)n1 ZINC000235686072 398339564 /nfs/dbraw/zinc/33/95/64/398339564.db2.gz UWLNGKVBAKYMFZ-VIFPVBQESA-N 1 0 217.276 0.489 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCOC[C@H](O)C1 ZINC000602681858 349674574 /nfs/dbraw/zinc/67/45/74/349674574.db2.gz XGHRDIHTCCYJJG-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO CNC(=O)C1C[NH+](C[C@H](C)CCC#N)C1 ZINC000602688062 349678123 /nfs/dbraw/zinc/67/81/23/349678123.db2.gz JISZOQRVZIJOBD-SECBINFHSA-N 1 0 209.293 0.604 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@H](C)CO ZINC000158876928 398341462 /nfs/dbraw/zinc/34/14/62/398341462.db2.gz ZFBOACIEPCUGEP-LLVKDONJSA-N 1 0 228.336 0.724 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CCS(=O)(=O)N(C)C ZINC000602678815 349671488 /nfs/dbraw/zinc/67/14/88/349671488.db2.gz ZMTMDEBVCUCXNT-SNVBAGLBSA-N 1 0 247.364 0.407 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CCC(=O)N1 ZINC000602718550 349686780 /nfs/dbraw/zinc/68/67/80/349686780.db2.gz SGYJMCLIFBKWRO-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@@H](CCC#N)C[N@H+](C)CCOCCO ZINC000602659475 349680335 /nfs/dbraw/zinc/68/03/35/349680335.db2.gz QRIIZCQVFFXBPJ-NSHDSACASA-N 1 0 214.309 0.867 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000351755784 136251799 /nfs/dbraw/zinc/25/17/99/136251799.db2.gz IXNXUJFCUJDUGX-SECBINFHSA-N 1 0 218.322 0.315 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000351755788 136251967 /nfs/dbraw/zinc/25/19/67/136251967.db2.gz IXNXUJFCUJDUGX-VIFPVBQESA-N 1 0 218.322 0.315 20 30 BCEDRO N#CC1(C[NH2+][C@H]2CCNC(=O)CC2)CCC1 ZINC000602695357 349691534 /nfs/dbraw/zinc/69/15/34/349691534.db2.gz NKXJQPUHRKYZKP-SNVBAGLBSA-N 1 0 221.304 0.939 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000602697387 349693644 /nfs/dbraw/zinc/69/36/44/349693644.db2.gz PESZHLKSDLIQSS-NWDGAFQWSA-N 1 0 224.304 0.906 20 30 BCEDRO CO[C@@H](C[NH+]1CC(CC#N)C1)[C@H]1CCOC1 ZINC000602705973 349699812 /nfs/dbraw/zinc/69/98/12/349699812.db2.gz FRMPCVQPDDMQOA-RYUDHWBXSA-N 1 0 224.304 0.883 20 30 BCEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@H](C)CCC#N ZINC000602709195 349702578 /nfs/dbraw/zinc/70/25/78/349702578.db2.gz HHWYKYVREFZWHR-OUAUKWLOSA-N 1 0 240.303 0.846 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418619085 192057292 /nfs/dbraw/zinc/05/72/92/192057292.db2.gz JKEMPDMAFGUWKP-GHMZBOCLSA-N 1 0 241.335 0.350 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCN(C)C[C@@H]1CO ZINC000602716390 349707035 /nfs/dbraw/zinc/70/70/35/349707035.db2.gz UQANKPHSLDLLFU-VXGBXAGGSA-N 1 0 225.336 0.535 20 30 BCEDRO N#CC1CCC([NH+](CCO)CCO)CC1 ZINC000602716666 349707046 /nfs/dbraw/zinc/70/70/46/349707046.db2.gz WBYODNSWTNSCPK-UHFFFAOYSA-N 1 0 212.293 0.355 20 30 BCEDRO CNS(=O)(=O)CCC[NH2+]C[C@H](C)CCC#N ZINC000602739067 349709152 /nfs/dbraw/zinc/70/91/52/349709152.db2.gz PVHZSPKLIBVSSV-SNVBAGLBSA-N 1 0 247.364 0.455 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cc(C)c(C(=O)OC)[nH]1 ZINC000602720288 349712334 /nfs/dbraw/zinc/71/23/34/349712334.db2.gz AMGYMMQSSCAUPN-SECBINFHSA-N 1 0 238.287 0.746 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCN2CC[C@H](O)C2)n1 ZINC000602728602 349716302 /nfs/dbraw/zinc/71/63/02/349716302.db2.gz BJPLBVOEYPYAAH-ZDUSSCGKSA-N 1 0 246.314 0.109 20 30 BCEDRO N#CCC1(C[N@H+]2CC[C@H](CO)[C@H](O)C2)CC1 ZINC000602814775 349756621 /nfs/dbraw/zinc/75/66/21/349756621.db2.gz HPMNYLCCKVRHSL-GHMZBOCLSA-N 1 0 224.304 0.355 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000602840987 349779581 /nfs/dbraw/zinc/77/95/81/349779581.db2.gz PXWZYBGFMJSFTB-VHSXEESVSA-N 1 0 210.277 0.684 20 30 BCEDRO C[C@H](CC#N)NCc1cc(=O)c(O)co1 ZINC000602859824 349770897 /nfs/dbraw/zinc/77/08/97/349770897.db2.gz AWYKJNPVDXAEPW-SSDOTTSWSA-N 1 0 208.217 0.737 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000352465726 136263882 /nfs/dbraw/zinc/26/38/82/136263882.db2.gz NREZMPBSSZTEMU-LLVKDONJSA-N 1 0 246.314 0.983 20 30 BCEDRO C[C@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602850579 349785788 /nfs/dbraw/zinc/78/57/88/349785788.db2.gz QUBAYGJEUUXOEU-AXFHLTTASA-N 1 0 211.309 0.285 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](CN(C)S(C)(=O)=O)C1 ZINC000352542924 136264268 /nfs/dbraw/zinc/26/42/68/136264268.db2.gz ABDDIQAQXJSDOG-NSHDSACASA-N 1 0 246.376 0.776 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000418660219 192059321 /nfs/dbraw/zinc/05/93/21/192059321.db2.gz NHMJDSDCNXIUQN-NWDGAFQWSA-N 1 0 235.331 0.697 20 30 BCEDRO C=CCNC(=O)[C@@H](C)n1cc([C@@H](C)[NH2+]C)nn1 ZINC000640883319 362069233 /nfs/dbraw/zinc/06/92/33/362069233.db2.gz FXXAIJILYKEGSY-RKDXNWHRSA-N 1 0 237.307 0.422 20 30 BCEDRO C=CCCOCCNC(=O)NCC[NH2+]C1CC1 ZINC000669545392 488200202 /nfs/dbraw/zinc/20/02/02/488200202.db2.gz AGQBMKCNDOYBSG-UHFFFAOYSA-N 1 0 241.335 0.630 20 30 BCEDRO C=C(C)Cn1cc(C[C@@H]([NH3+])CCOC)nn1 ZINC000640804156 362052896 /nfs/dbraw/zinc/05/28/96/362052896.db2.gz WWLCVKPIUTURCC-JTQLQIEISA-N 1 0 224.308 0.761 20 30 BCEDRO C=CCCCCCN(C)C(=O)[C@@H]1C[C@H](O)C[NH2+]1 ZINC000213753120 343120285 /nfs/dbraw/zinc/12/02/85/343120285.db2.gz JWHIMYIKRZZDMP-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCCCn1cc(CN2CC[NH2+]CC2)nn1 ZINC000640935966 362074498 /nfs/dbraw/zinc/07/44/98/362074498.db2.gz MNJLPWSKKYYCRL-UHFFFAOYSA-N 1 0 235.335 0.650 20 30 BCEDRO N#Cc1cnnc(N2CC[NH+](CCCF)CC2)c1 ZINC000402796790 343111863 /nfs/dbraw/zinc/11/18/63/343111863.db2.gz NKMABSVIYCUQRB-UHFFFAOYSA-N 1 0 249.293 0.830 20 30 BCEDRO C=C1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000264470864 187235024 /nfs/dbraw/zinc/23/50/24/187235024.db2.gz NHNMAJCNEUUEKC-UHFFFAOYSA-N 1 0 225.292 0.614 20 30 BCEDRO C#CCC(CC#C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000377334676 136269762 /nfs/dbraw/zinc/26/97/62/136269762.db2.gz PIQYQOUCXDSOST-UHFFFAOYSA-N 1 0 244.338 0.956 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CC)[C@H]1CCOC1 ZINC000361578347 136268640 /nfs/dbraw/zinc/26/86/40/136268640.db2.gz QXFKPGCBOBGNBF-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO N#CCCCC(=O)NCC[NH+]1CCCC1 ZINC000362182386 136268755 /nfs/dbraw/zinc/26/87/55/136268755.db2.gz HJOYXDZPVJIJEQ-UHFFFAOYSA-N 1 0 209.293 0.892 20 30 BCEDRO C[C@H](C#N)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000362717721 136268921 /nfs/dbraw/zinc/26/89/21/136268921.db2.gz SKPZNXKZPXOTRZ-SECBINFHSA-N 1 0 221.304 0.889 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCOC ZINC000270804633 187237097 /nfs/dbraw/zinc/23/70/97/187237097.db2.gz VDIMJTRFCROQDN-SNVBAGLBSA-N 1 0 212.293 0.093 20 30 BCEDRO N#Cc1nccc(N2CC[NH+](CCCF)CC2)n1 ZINC000402833406 343147907 /nfs/dbraw/zinc/14/79/07/343147907.db2.gz LUWBIDGHUOXFDJ-UHFFFAOYSA-N 1 0 249.293 0.830 20 30 BCEDRO CO[C@H](C)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000331287445 536851447 /nfs/dbraw/zinc/85/14/47/536851447.db2.gz NAEOMHGUUGXKDV-NXEZZACHSA-N 1 0 229.324 0.619 20 30 BCEDRO C[C@@H]([NH2+]CCOCCC#N)[C@@H]1CCOC1 ZINC000339085503 136271174 /nfs/dbraw/zinc/27/11/74/136271174.db2.gz NOHPSUYBMRVREJ-GHMZBOCLSA-N 1 0 212.293 0.931 20 30 BCEDRO COCC#CC[NH2+][C@@H]1CCC[C@@H]1C(=O)OC ZINC000309989903 343131549 /nfs/dbraw/zinc/13/15/49/343131549.db2.gz ZTSXUDQWNDKWEN-WDEREUQCSA-N 1 0 225.288 0.568 20 30 BCEDRO C[N@H+](CCOCCC#N)C[C@@H]1CCOC1 ZINC000339013214 136271339 /nfs/dbraw/zinc/27/13/39/136271339.db2.gz LBGGSFLOBGTUCD-NSHDSACASA-N 1 0 212.293 0.885 20 30 BCEDRO C=C1CC[NH+](C[C@](C)(O)C(=O)OC)CC1 ZINC000343816367 136271566 /nfs/dbraw/zinc/27/15/66/136271566.db2.gz NDPRKICKSUVERC-NSHDSACASA-N 1 0 213.277 0.562 20 30 BCEDRO C#CCC(CC#C)C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000278759480 187240329 /nfs/dbraw/zinc/24/03/29/187240329.db2.gz FXAVWKBYFIPYMY-LBPRGKRZSA-N 1 0 232.327 0.717 20 30 BCEDRO C[C@H](CC#N)[NH2+]CCC(=O)N(C)CCC#N ZINC000602869253 349799808 /nfs/dbraw/zinc/79/98/08/349799808.db2.gz NATAHHFQRSVMPL-SNVBAGLBSA-N 1 0 222.292 0.640 20 30 BCEDRO C=CCOCCNC(=O)CC[C@H](C)[NH3+] ZINC000308515324 488205495 /nfs/dbraw/zinc/20/54/95/488205495.db2.gz DZMNWYLSBIXQHE-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@H](CO)c1ccccc1 ZINC000178560500 136274489 /nfs/dbraw/zinc/27/44/89/136274489.db2.gz XRLFSNLQZMFMEW-LLVKDONJSA-N 1 0 221.304 0.639 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](O)C1(C)C ZINC000336708860 136274760 /nfs/dbraw/zinc/27/47/60/136274760.db2.gz SHEXMNYCLWHABA-SECBINFHSA-N 1 0 212.293 0.134 20 30 BCEDRO CNC(=O)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000308935099 136274241 /nfs/dbraw/zinc/27/42/41/136274241.db2.gz KQPGDZFCBQMVJD-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000339167045 136280654 /nfs/dbraw/zinc/28/06/54/136280654.db2.gz GCUNKOMJSVXIKS-WCQYABFASA-N 1 0 238.331 0.836 20 30 BCEDRO C=CCOCCn1cc(CC[NH+](C)C)nn1 ZINC000641029965 362142468 /nfs/dbraw/zinc/14/24/68/362142468.db2.gz NLSQWMIDHMMUJT-UHFFFAOYSA-N 1 0 224.308 0.585 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418698561 192061449 /nfs/dbraw/zinc/06/14/49/192061449.db2.gz NCZPBZPPURKKOW-OPRDCNLKSA-N 1 0 229.324 0.348 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600312354 343245849 /nfs/dbraw/zinc/24/58/49/343245849.db2.gz FRROSWBJTSCQFX-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000600312357 343245996 /nfs/dbraw/zinc/24/59/96/343245996.db2.gz FRROSWBJTSCQFX-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000366300290 136280564 /nfs/dbraw/zinc/28/05/64/136280564.db2.gz YSBSQYFOXOTVJK-GHMZBOCLSA-N 1 0 240.303 0.450 20 30 BCEDRO CC#CCN(C)CC(=O)NCCOCC ZINC000293121404 136289357 /nfs/dbraw/zinc/28/93/57/136289357.db2.gz MHWBGVHPZQUMOH-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C=CCCCCCn1cc(C[C@@H]([NH3+])CO)nn1 ZINC000641048032 362159128 /nfs/dbraw/zinc/15/91/28/362159128.db2.gz YRSOTVBDSMLUJD-LLVKDONJSA-N 1 0 238.335 0.887 20 30 BCEDRO CCCNC(=[NH2+])NCc1ncnn1C(C)(C)C ZINC000283782332 136287021 /nfs/dbraw/zinc/28/70/21/136287021.db2.gz LDGPJGAALYWUFV-UHFFFAOYSA-N 1 0 238.339 0.847 20 30 BCEDRO CC#CCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000335612822 136295683 /nfs/dbraw/zinc/29/56/83/136295683.db2.gz JLRGSSXXDHROAX-UWVGGRQHSA-N 1 0 209.293 0.307 20 30 BCEDRO CCOC[C@H](O)C[NH+]1CCC(C#N)CC1 ZINC000070988997 343342040 /nfs/dbraw/zinc/34/20/40/343342040.db2.gz RWSLOSFSPIJSAC-LLVKDONJSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CCOCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000669555209 488215851 /nfs/dbraw/zinc/21/58/51/488215851.db2.gz ILPHRMZDMSQYIL-UHFFFAOYSA-N 1 0 227.308 0.320 20 30 BCEDRO C=CCOCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000669555158 488215967 /nfs/dbraw/zinc/21/59/67/488215967.db2.gz CHEXZHXQXKWOST-SNVBAGLBSA-N 1 0 227.308 0.322 20 30 BCEDRO C=CCOCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000669555231 488216029 /nfs/dbraw/zinc/21/60/29/488216029.db2.gz JZOOARJCQRMCBD-SNVBAGLBSA-N 1 0 227.308 0.226 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H]([NH3+])CC ZINC000669555154 488216116 /nfs/dbraw/zinc/21/61/16/488216116.db2.gz CCMBBVZRXUZETC-SECBINFHSA-N 1 0 215.297 0.226 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)[C@H]2CCOC2)o1 ZINC000344483939 343416250 /nfs/dbraw/zinc/41/62/50/343416250.db2.gz VGQIPVYAEWRWMM-JOYOIKCWSA-N 1 0 236.271 0.638 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC2(CCO2)CC1 ZINC000367091177 136343149 /nfs/dbraw/zinc/34/31/49/136343149.db2.gz HJIVRIXLPDVOHY-LLVKDONJSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CCOCCNC(=O)NCC[NH2+]CCC ZINC000669555407 488216514 /nfs/dbraw/zinc/21/65/14/488216514.db2.gz WBAHYLVFERPBJO-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000641083930 362204922 /nfs/dbraw/zinc/20/49/22/362204922.db2.gz FDYUQMNBJUYQHF-ZYHUDNBSSA-N 1 0 236.319 0.540 20 30 BCEDRO N#CC1(CN2CCSC[C@H]2CO)CC1 ZINC000335712114 136337701 /nfs/dbraw/zinc/33/77/01/136337701.db2.gz DSZYWXRWQFCYTM-SECBINFHSA-N 1 0 212.318 0.700 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CCN(C)[C@H](C)[C@@H]1C ZINC000335850524 136355319 /nfs/dbraw/zinc/35/53/19/136355319.db2.gz HFGKGCZXEPMWHJ-MNOVXSKESA-N 1 0 246.376 0.917 20 30 BCEDRO CCOC(=O)C[C@H](O)CN(C)C[C@@H](C)C#N ZINC000135025513 343488964 /nfs/dbraw/zinc/48/89/64/343488964.db2.gz DTWCNUQPZDONGP-UWVGGRQHSA-N 1 0 228.292 0.392 20 30 BCEDRO CCOC(=O)C[C@@H](O)CN(C)C[C@@H](C)C#N ZINC000135025532 343489049 /nfs/dbraw/zinc/48/90/49/343489049.db2.gz DTWCNUQPZDONGP-VHSXEESVSA-N 1 0 228.292 0.392 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000602898039 349814538 /nfs/dbraw/zinc/81/45/38/349814538.db2.gz KNUWNTWYNGDKOV-JQWIXIFHSA-N 1 0 226.320 0.744 20 30 BCEDRO CC[C@H](O)CN(CCC#N)CCOC ZINC000070844967 343513263 /nfs/dbraw/zinc/51/32/63/343513263.db2.gz RQUZHDXXAKQVMV-JTQLQIEISA-N 1 0 200.282 0.619 20 30 BCEDRO CC[C@@H](O)CN(CCC#N)CCOC ZINC000070844972 343513326 /nfs/dbraw/zinc/51/33/26/343513326.db2.gz RQUZHDXXAKQVMV-SNVBAGLBSA-N 1 0 200.282 0.619 20 30 BCEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1ccnc(C#N)n1 ZINC000310549173 343529308 /nfs/dbraw/zinc/52/93/08/343529308.db2.gz FUIMVEWGEYWDNH-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCSC1 ZINC000562965703 323049347 /nfs/dbraw/zinc/04/93/47/323049347.db2.gz UJJKOIRUMBDMBH-IUCAKERBSA-N 1 0 227.333 0.629 20 30 BCEDRO C#CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000491309281 259364441 /nfs/dbraw/zinc/36/44/41/259364441.db2.gz YJXFVVNGDINPRM-HBNTYKKESA-N 1 0 221.304 0.388 20 30 BCEDRO COC[C@@](C)(CO)[NH2+]CCCCC#N ZINC000602932124 349823288 /nfs/dbraw/zinc/82/32/88/349823288.db2.gz MRFJKCGHTVRESF-SNVBAGLBSA-N 1 0 200.282 0.667 20 30 BCEDRO C[C@]12C[N@H+](CCCC#N)C[C@@]1(C)C(=O)NC2=O ZINC000602936286 349824114 /nfs/dbraw/zinc/82/41/14/349824114.db2.gz PCPTXPLCBOHJAK-TXEJJXNPSA-N 1 0 235.287 0.275 20 30 BCEDRO CC[N@@H+]1CCN(c2cnc(C#N)cn2)C[C@@H]1C ZINC000071179107 343626248 /nfs/dbraw/zinc/62/62/48/343626248.db2.gz ADAMGVBMOYHJPX-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C[NH+](C)C[C@H]1CCCN1c1cnc(C#N)cn1 ZINC000071179047 343626330 /nfs/dbraw/zinc/62/63/30/343626330.db2.gz MHRVLRROSJUXCZ-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CC[NH+](CC=C)CCC(=O)NC(=O)NC ZINC000051767014 343628334 /nfs/dbraw/zinc/62/83/34/343628334.db2.gz BAHBOIRMAHJMFA-UHFFFAOYSA-N 1 0 225.292 0.506 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CCNC(=O)CC1 ZINC000087595582 343654901 /nfs/dbraw/zinc/65/49/01/343654901.db2.gz PWFXYNHODKJTEP-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO CC#CCN1C[C@H](OC)C[C@]1(C)C(=O)OC ZINC000602953089 349828990 /nfs/dbraw/zinc/82/89/90/349828990.db2.gz PODNWTNIFYYXEA-ZYHUDNBSSA-N 1 0 225.288 0.662 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccn(C)n1 ZINC000380004904 365795382 /nfs/dbraw/zinc/79/53/82/365795382.db2.gz OUUOQYKBDBARTH-SNVBAGLBSA-N 1 0 209.293 0.694 20 30 BCEDRO C[N@H+](CCC(=O)NC(N)=O)[C@@H]1CCC[C@H]1C#N ZINC000602976973 349842274 /nfs/dbraw/zinc/84/22/74/349842274.db2.gz VXEGJABSQKJYSE-DTWKUNHWSA-N 1 0 238.291 0.195 20 30 BCEDRO COC(=O)[C@H](C)C[N@H+](C)CCOCCC#N ZINC000338915641 343691927 /nfs/dbraw/zinc/69/19/27/343691927.db2.gz YUMFPEYIGOVWQB-SNVBAGLBSA-N 1 0 228.292 0.658 20 30 BCEDRO C#CCNC(=O)N1CCC([C@H]2CCC[NH2+]2)CC1 ZINC000491666987 259369383 /nfs/dbraw/zinc/36/93/83/259369383.db2.gz KNHOBBOZWRIVEC-GFCCVEGCSA-N 1 0 235.331 0.793 20 30 BCEDRO CC#CCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634711079 343701125 /nfs/dbraw/zinc/70/11/25/343701125.db2.gz IYCCNTJIFWUCID-GFCCVEGCSA-N 1 0 241.331 0.282 20 30 BCEDRO C[C@@H]1CO[C@H](CO)C[N@@H+]1CCCCC#N ZINC000088092314 343704766 /nfs/dbraw/zinc/70/47/66/343704766.db2.gz KFCSHAYQKZSWDT-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000603018478 349858436 /nfs/dbraw/zinc/85/84/36/349858436.db2.gz ZXZDOPKWXZPWJO-VXGBXAGGSA-N 1 0 240.347 0.986 20 30 BCEDRO CC#CC[N@H+](C)C[C@H](O)CC1(O)CCC1 ZINC000625450026 343777803 /nfs/dbraw/zinc/77/78/03/343777803.db2.gz UHEMCEAIAOGJLK-LLVKDONJSA-N 1 0 211.305 0.608 20 30 BCEDRO CC1CC(C#N)(C(=O)NCC[NH+](C)C)C1 ZINC000156815733 343765308 /nfs/dbraw/zinc/76/53/08/343765308.db2.gz RYOLDEOXPKBDIY-UHFFFAOYSA-N 1 0 209.293 0.604 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CC1(C#N)CC1 ZINC000590313431 346972872 /nfs/dbraw/zinc/97/28/72/346972872.db2.gz VCNCVROODBEVQK-NSHDSACASA-N 1 0 239.319 0.109 20 30 BCEDRO C[NH+](C)CCNC(=O)NCCCCC#N ZINC000179217755 346976656 /nfs/dbraw/zinc/97/66/56/346976656.db2.gz BIKHZDGXNBJUOK-UHFFFAOYSA-N 1 0 212.297 0.541 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCC(CO)(OC)CC1 ZINC000447406052 201720675 /nfs/dbraw/zinc/72/06/75/201720675.db2.gz SLHYWTZPYRFNCK-LBPRGKRZSA-N 1 0 243.347 0.787 20 30 BCEDRO CNC(=O)CC[N@H+](C)CCCSCC#N ZINC000173880949 529856658 /nfs/dbraw/zinc/85/66/58/529856658.db2.gz DGTPKLCNYWXHHJ-UHFFFAOYSA-N 1 0 229.349 0.701 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000625700284 344039913 /nfs/dbraw/zinc/03/99/13/344039913.db2.gz AYJGFWSAOMOXHA-SNVBAGLBSA-N 1 0 232.349 0.434 20 30 BCEDRO CN(C)CC(=O)Nc1n[nH]c(C2CC2)c1C#N ZINC000290479966 346981080 /nfs/dbraw/zinc/98/10/80/346981080.db2.gz MCGSNMCNPSZQSW-UHFFFAOYSA-N 1 0 233.275 0.659 20 30 BCEDRO Cn1cc(C[NH2+][C@@H]2CCCN(C)C2=O)cc1C#N ZINC000334191337 343831622 /nfs/dbraw/zinc/83/16/22/343831622.db2.gz OGHVHQAKSRYMNT-GFCCVEGCSA-N 1 0 246.314 0.607 20 30 BCEDRO C[N@H+]1CC=C(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000334201577 343835525 /nfs/dbraw/zinc/83/55/25/343835525.db2.gz OGYAFVSHPNAAQY-UHFFFAOYSA-N 1 0 244.298 0.878 20 30 BCEDRO C=CCNC(=[NH2+])NCCCOCCOC ZINC000066245005 343857998 /nfs/dbraw/zinc/85/79/98/343857998.db2.gz JTKRJFFHDJWSPD-UHFFFAOYSA-N 1 0 215.297 0.130 20 30 BCEDRO C=C(C)CNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418796754 192067777 /nfs/dbraw/zinc/06/77/77/192067777.db2.gz UEUMIQVETFMFNZ-VHSXEESVSA-N 1 0 211.309 0.989 20 30 BCEDRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336726639 347010320 /nfs/dbraw/zinc/01/03/20/347010320.db2.gz CILOXJBQOCGEHL-NXEZZACHSA-N 1 0 245.348 0.160 20 30 BCEDRO N#CC1(Cn2cc(C[NH2+]C3CC3)nn2)CC1 ZINC000603227908 349890071 /nfs/dbraw/zinc/89/00/71/349890071.db2.gz UEWXBMOUVFFBMM-UHFFFAOYSA-N 1 0 217.276 0.834 20 30 BCEDRO C[NH+](C)CCc1cn(CC2(C#N)CC2)nn1 ZINC000603227920 349890146 /nfs/dbraw/zinc/89/01/46/349890146.db2.gz UUJXWVSKBQMEPL-UHFFFAOYSA-N 1 0 219.292 0.686 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1cncnc1 ZINC000336740700 537836096 /nfs/dbraw/zinc/83/60/96/537836096.db2.gz UTOZVHNJTWVBGY-JTQLQIEISA-N 1 0 207.277 0.751 20 30 BCEDRO N#CC1(CC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000590338889 347016720 /nfs/dbraw/zinc/01/67/20/347016720.db2.gz ZLVFRWMZPFEFEJ-UHFFFAOYSA-N 1 0 233.315 0.987 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000625701239 344041790 /nfs/dbraw/zinc/04/17/90/344041790.db2.gz HXJVDMXRHQAFIU-NSHDSACASA-N 1 0 246.376 0.776 20 30 BCEDRO CCN(C[C@H](C)C#N)C[C@H](O)C[N@H+](C)CC ZINC000381089882 343950955 /nfs/dbraw/zinc/95/09/55/343950955.db2.gz UUQSPNHFJSWAEZ-VXGBXAGGSA-N 1 0 227.352 0.781 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000092630727 343960520 /nfs/dbraw/zinc/96/05/20/343960520.db2.gz QKCFNTLZZVURIL-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO CC#CCNCc1cn(CC2CC[NH2+]CC2)nn1 ZINC000641232337 362287984 /nfs/dbraw/zinc/28/79/84/362287984.db2.gz CDPCSKHEKDDPFU-UHFFFAOYSA-N 1 0 247.346 0.391 20 30 BCEDRO CN1CCOC[C@@H]1CNC(=O)CCCCC#N ZINC000600421052 343967870 /nfs/dbraw/zinc/96/78/70/343967870.db2.gz UMTWSJWGKQLBGM-NSHDSACASA-N 1 0 239.319 0.517 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NC(=O)CSCC#N ZINC000068469972 362327440 /nfs/dbraw/zinc/32/74/40/362327440.db2.gz IYEUGNPJKOLPOB-VIFPVBQESA-N 1 0 229.349 0.700 20 30 BCEDRO COC[C@H]([NH3+])Cc1cn(CC2(C#N)CCC2)nn1 ZINC000603255003 349900851 /nfs/dbraw/zinc/90/08/51/349900851.db2.gz DHPPJLFWKWPOIW-SNVBAGLBSA-N 1 0 249.318 0.488 20 30 BCEDRO C=C(C)C[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625803563 344079923 /nfs/dbraw/zinc/07/99/23/344079923.db2.gz MRYNJXDSSBEMKN-UHFFFAOYSA-N 1 0 249.318 0.590 20 30 BCEDRO C=CC[NH+](CC=C)CCN1CCOCC1 ZINC000078636078 344100247 /nfs/dbraw/zinc/10/02/47/344100247.db2.gz WFHUORUXOWVLAB-UHFFFAOYSA-N 1 0 210.321 0.993 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396486429 347027911 /nfs/dbraw/zinc/02/79/11/347027911.db2.gz MNHOGPVTCSRVJD-ZJUUUORDSA-N 1 0 223.320 0.993 20 30 BCEDRO C#CCSCC[NH2+]Cc1nccn1C ZINC000164317170 166202667 /nfs/dbraw/zinc/20/26/67/166202667.db2.gz CUHOZYWYHCJHAT-UHFFFAOYSA-N 1 0 209.318 0.876 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCCC1 ZINC000570733841 323069069 /nfs/dbraw/zinc/06/90/69/323069069.db2.gz ZOGNJLXKGWQIFC-MYJAWHEDSA-N 1 0 219.288 0.404 20 30 BCEDRO C=CCN(C(=O)[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000131293759 344229997 /nfs/dbraw/zinc/22/99/97/344229997.db2.gz VRYZCJIWRBDFOT-JTQLQIEISA-N 1 0 210.277 0.152 20 30 BCEDRO C=CCOCC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000634747844 344181315 /nfs/dbraw/zinc/18/13/15/344181315.db2.gz BVPMTQHFIJLGPS-BETUJISGSA-N 1 0 238.331 0.647 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CCNS(C)(=O)=O ZINC000126795812 344184185 /nfs/dbraw/zinc/18/41/85/344184185.db2.gz RNZHSEBKMOGWBU-VIFPVBQESA-N 1 0 220.338 0.480 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc2cnccn12 ZINC000289822960 323069560 /nfs/dbraw/zinc/06/95/60/323069560.db2.gz MELOPZCXBGXMHZ-SECBINFHSA-N 1 0 218.260 0.366 20 30 BCEDRO C=CCNC(=O)CN1CCO[C@H](C(F)F)CC1 ZINC000634751183 344201135 /nfs/dbraw/zinc/20/11/35/344201135.db2.gz MJQIMJPRSAXFJO-VIFPVBQESA-N 1 0 248.273 0.645 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C(N)=O)C(C)(C)C ZINC000128204072 344204837 /nfs/dbraw/zinc/20/48/37/344204837.db2.gz GWZFKLNTISNUEF-ZJUUUORDSA-N 1 0 228.336 0.803 20 30 BCEDRO CN(C[C@H]1CCC[N@@H+]1C)c1cncc(C#N)n1 ZINC000401333345 529966494 /nfs/dbraw/zinc/96/64/94/529966494.db2.gz OEMGIMUOBWQFLF-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)COCCC ZINC000293882343 344257598 /nfs/dbraw/zinc/25/75/98/344257598.db2.gz CSWLWEVOVKYKFT-UHFFFAOYSA-N 1 0 226.320 0.484 20 30 BCEDRO N#CC1(C[NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600733685 344364682 /nfs/dbraw/zinc/36/46/82/344364682.db2.gz AXRCLYUNRSSUNX-SNVBAGLBSA-N 1 0 219.288 0.935 20 30 BCEDRO N#CC1(CNC[C@H](O)C[NH+]2CCCC2)CCC1 ZINC000600734528 344365102 /nfs/dbraw/zinc/36/51/02/344365102.db2.gz DKTZGGNFSYISCC-LBPRGKRZSA-N 1 0 237.347 0.727 20 30 BCEDRO CC[C@@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600737753 344365975 /nfs/dbraw/zinc/36/59/75/344365975.db2.gz INBKWNDNQJQPJV-UWVGGRQHSA-N 1 0 212.293 0.402 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000600740783 344367063 /nfs/dbraw/zinc/36/70/63/344367063.db2.gz BMLGBTUWKOSRJF-WOPDTQHZSA-N 1 0 238.331 0.934 20 30 BCEDRO C[C@H](CCCO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600741238 344367322 /nfs/dbraw/zinc/36/73/22/344367322.db2.gz CTWWWPIIKUEHFA-MNOVXSKESA-N 1 0 226.320 0.792 20 30 BCEDRO CC[C@H](O)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600743437 344367393 /nfs/dbraw/zinc/36/73/93/344367393.db2.gz MEWCEPHEHCUVRV-WDEREUQCSA-N 1 0 226.320 0.792 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCC2(O)CCC2)CC1 ZINC000600742634 344367423 /nfs/dbraw/zinc/36/74/23/344367423.db2.gz XLZWVPJEDZEVHT-NSHDSACASA-N 1 0 238.331 0.936 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CC2(CO)CC2)CC1 ZINC000600741224 344367498 /nfs/dbraw/zinc/36/74/98/344367498.db2.gz CPSZKIRXELWCMH-SNVBAGLBSA-N 1 0 224.304 0.403 20 30 BCEDRO C[C@H](Cn1ccnc1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600715701 344362183 /nfs/dbraw/zinc/36/21/83/344362183.db2.gz HPYMFEGQVQTUCT-NEPJUHHUSA-N 1 0 248.330 0.916 20 30 BCEDRO CN(CC[NH2+]C[C@@H](O)CC1(C#N)CC1)C1CC1 ZINC000600718730 344362507 /nfs/dbraw/zinc/36/25/07/344362507.db2.gz AHZWCVPTOZKFLL-LBPRGKRZSA-N 1 0 237.347 0.725 20 30 BCEDRO Cn1nccc1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600717764 344362510 /nfs/dbraw/zinc/36/25/10/344362510.db2.gz NJYOOXHAAKRSHC-NSHDSACASA-N 1 0 234.303 0.564 20 30 BCEDRO Cc1n[nH]cc1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600720003 344362718 /nfs/dbraw/zinc/36/27/18/344362718.db2.gz XRVRNQIJQRIMEY-NSHDSACASA-N 1 0 234.303 0.863 20 30 BCEDRO COC[C@@H](C)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600719300 344362734 /nfs/dbraw/zinc/36/27/34/344362734.db2.gz CWMJWZZDBNUWRB-WDEREUQCSA-N 1 0 226.320 0.913 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCOC2)CC1 ZINC000600718952 344362771 /nfs/dbraw/zinc/36/27/71/344362771.db2.gz AVLHNXWAGWJYDU-GHMZBOCLSA-N 1 0 224.304 0.810 20 30 BCEDRO CC(C)(O)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600733866 344364486 /nfs/dbraw/zinc/36/44/86/344364486.db2.gz FZNQTQDPGNRLMM-SNVBAGLBSA-N 1 0 226.320 0.792 20 30 BCEDRO CO[C@H]1C[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)C1 ZINC000600760012 344369307 /nfs/dbraw/zinc/36/93/07/344369307.db2.gz JFPHLBCKMNAXAC-DCAQKATOSA-N 1 0 224.304 0.808 20 30 BCEDRO CO[C@H]1C[C@H]([NH2+]C[C@H](O)CC2(C#N)CC2)C1 ZINC000600760016 344369583 /nfs/dbraw/zinc/36/95/83/344369583.db2.gz JFPHLBCKMNAXAC-GMTAPVOTSA-N 1 0 224.304 0.808 20 30 BCEDRO C=CCC1(NC(=O)C[NH+](C)C)CCOCC1 ZINC000618247337 344433028 /nfs/dbraw/zinc/43/30/28/344433028.db2.gz SHLKSZVTUUSVHX-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C/C=C\C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000600753464 344370618 /nfs/dbraw/zinc/37/06/18/344370618.db2.gz BCOZJCODJUOCBZ-BYCRGOAPSA-N 1 0 211.309 0.358 20 30 BCEDRO C[N@H+](CC(=O)NCC1(C#N)CC1)C1CCC1 ZINC000600826483 344381512 /nfs/dbraw/zinc/38/15/12/344381512.db2.gz OCSVCEOCGKCREW-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO CC#CCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000335137991 347048526 /nfs/dbraw/zinc/04/85/26/347048526.db2.gz JXJJYJOALFEHDC-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](CC(C)C)OC ZINC000491702268 347053383 /nfs/dbraw/zinc/05/33/83/347053383.db2.gz VKQPWCRQKCJPSL-GFCCVEGCSA-N 1 0 240.347 0.777 20 30 BCEDRO C[NH+](C)CCCCNC(=O)C(C)(C)C#N ZINC000041680604 344439785 /nfs/dbraw/zinc/43/97/85/344439785.db2.gz VUWAGGNHMLWVQH-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO N#Cc1nccnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000084614445 344447619 /nfs/dbraw/zinc/44/76/19/344447619.db2.gz DIQONVZNSSMNIL-DTORHVGOSA-N 1 0 215.260 0.004 20 30 BCEDRO CC[N@H+](CCC(=O)N(C)C)C[C@H](C)C#N ZINC000042323706 344450554 /nfs/dbraw/zinc/45/05/54/344450554.db2.gz FTVKIARDHPQARW-SNVBAGLBSA-N 1 0 211.309 0.946 20 30 BCEDRO C=CCC[C@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400265346 344453560 /nfs/dbraw/zinc/45/35/60/344453560.db2.gz UTGMUJJUWYYKLG-QWRGUYRKSA-N 1 0 246.376 0.965 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC000135486412 344473401 /nfs/dbraw/zinc/47/34/01/344473401.db2.gz WFNTXQGOVGARKI-MRVPVSSYSA-N 1 0 210.233 0.248 20 30 BCEDRO N#CCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000408308809 344479404 /nfs/dbraw/zinc/47/94/04/344479404.db2.gz LACQWHHCYYZCPC-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO COCCN1CCN(C(=O)CC#N)C[C@H]1C ZINC000408318270 344490854 /nfs/dbraw/zinc/49/08/54/344490854.db2.gz IQPUDPSAJVKGAH-SNVBAGLBSA-N 1 0 225.292 0.079 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000631112913 344517535 /nfs/dbraw/zinc/51/75/35/344517535.db2.gz YNJOCZPVOMWGLM-SNVBAGLBSA-N 1 0 208.261 0.814 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000641442994 362420790 /nfs/dbraw/zinc/42/07/90/362420790.db2.gz YENJEIVGFPUJIM-GHMZBOCLSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CCCCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076002 344722525 /nfs/dbraw/zinc/72/25/25/344722525.db2.gz BSKUTUOCWZOXIM-NSHDSACASA-N 1 0 226.320 0.919 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000358766455 344732478 /nfs/dbraw/zinc/73/24/78/344732478.db2.gz ICNBMBSTNMHZAC-NXEZZACHSA-N 1 0 239.319 0.069 20 30 BCEDRO C[C@@H](CC#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000259843575 344694160 /nfs/dbraw/zinc/69/41/60/344694160.db2.gz FMKWJLCCPVHXPN-VHSXEESVSA-N 1 0 209.293 0.889 20 30 BCEDRO COC[C@H](C)OC[C@H](O)C[NH2+]C[C@H](C)C#N ZINC000562994080 323078706 /nfs/dbraw/zinc/07/87/06/323078706.db2.gz UTTHMCSAQCIUIJ-OUAUKWLOSA-N 1 0 230.308 0.148 20 30 BCEDRO C#CCC[NH+]1CCN(CCCC#N)CC1 ZINC000119804619 344865451 /nfs/dbraw/zinc/86/54/51/344865451.db2.gz UDLGSSYFFUZURA-UHFFFAOYSA-N 1 0 205.305 0.931 20 30 BCEDRO C=CC[N@@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000121403830 344924092 /nfs/dbraw/zinc/92/40/92/344924092.db2.gz WNPKHVZBVOVSMM-SNVBAGLBSA-N 1 0 209.293 0.865 20 30 BCEDRO C=CCOCCCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237854916 344919300 /nfs/dbraw/zinc/91/93/00/344919300.db2.gz ABTNYJCCEWZXKB-NSHDSACASA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000363491183 344961477 /nfs/dbraw/zinc/96/14/77/344961477.db2.gz SWPVSZLNKYDKJW-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO CC[N@H+](CCC#N)CC1(O)CCOCC1 ZINC000154256003 345024620 /nfs/dbraw/zinc/02/46/20/345024620.db2.gz DCUAYBNYYVGEEA-UHFFFAOYSA-N 1 0 212.293 0.763 20 30 BCEDRO CC1(C#N)CC[NH+]([C@H]2COC[C@@H]2O)CC1 ZINC000361348232 345120025 /nfs/dbraw/zinc/12/00/25/345120025.db2.gz IRYCKRZUTVIICT-UWVGGRQHSA-N 1 0 210.277 0.372 20 30 BCEDRO CC1(C#N)CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000361348231 345120165 /nfs/dbraw/zinc/12/01/65/345120165.db2.gz IRYCKRZUTVIICT-NXEZZACHSA-N 1 0 210.277 0.372 20 30 BCEDRO C#C[C@@H](C)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000166436008 166211956 /nfs/dbraw/zinc/21/19/56/166211956.db2.gz BVDPXGYGYGSAAO-SNVBAGLBSA-N 1 0 223.320 0.744 20 30 BCEDRO CC#CCN1CC[C@@H](S(C)(=O)=O)C1 ZINC000306293712 345155466 /nfs/dbraw/zinc/15/54/66/345155466.db2.gz VDNZOWQTFRWBTP-SECBINFHSA-N 1 0 201.291 0.129 20 30 BCEDRO C#CC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000369329754 345225270 /nfs/dbraw/zinc/22/52/70/345225270.db2.gz NOLCFZCMANOJAR-UHFFFAOYSA-N 1 0 201.269 0.739 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCC[C@@]2(C)CO)C1=O ZINC000531199351 323085302 /nfs/dbraw/zinc/08/53/02/323085302.db2.gz DFWVFGDJUSRWOI-YPMHNXCESA-N 1 0 238.331 0.620 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)NCC1([NH3+])CCC1 ZINC000418891913 192088751 /nfs/dbraw/zinc/08/87/51/192088751.db2.gz VBRDBMNKEQYFLO-UHFFFAOYSA-N 1 0 239.319 0.066 20 30 BCEDRO C#CCNC(=O)[C@H]1CCCC[N@H+]1C(C)C ZINC000118785590 323087331 /nfs/dbraw/zinc/08/73/31/323087331.db2.gz JLYCOQMXAAHEEH-LLVKDONJSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000159372414 345429035 /nfs/dbraw/zinc/42/90/35/345429035.db2.gz LZEDXWGCDBSXIS-LBPRGKRZSA-N 1 0 237.347 0.587 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](CO)C[C@H]1C ZINC000626120086 345495590 /nfs/dbraw/zinc/49/55/90/345495590.db2.gz SKHDYETZEDHEKM-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO N#CCCc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000600973340 345547391 /nfs/dbraw/zinc/54/73/91/345547391.db2.gz MRQBWKYSUXOHCG-VIFPVBQESA-N 1 0 205.265 0.486 20 30 BCEDRO C#CCN1CCN(c2ncccc2F)CC1 ZINC000089592832 345561107 /nfs/dbraw/zinc/56/11/07/345561107.db2.gz IRZCQFMIKRPKHU-UHFFFAOYSA-N 1 0 219.263 0.976 20 30 BCEDRO C#CCN1CCN(c2ccc(C#N)nc2)CC1 ZINC000089592085 345561223 /nfs/dbraw/zinc/56/12/23/345561223.db2.gz RNDJHIYQBPOANA-UHFFFAOYSA-N 1 0 226.283 0.708 20 30 BCEDRO C=CCC[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000090005553 345562387 /nfs/dbraw/zinc/56/23/87/345562387.db2.gz RZUKKHWXBSAUCF-UHFFFAOYSA-N 1 0 237.303 0.579 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626137471 345611147 /nfs/dbraw/zinc/61/11/47/345611147.db2.gz IRFYCLFYTDVWDM-HOSYDEDBSA-N 1 0 224.304 0.134 20 30 BCEDRO N#CCNCc1cn(-c2cccc(C[NH3+])c2)nn1 ZINC000600976383 345581796 /nfs/dbraw/zinc/58/17/96/345581796.db2.gz RQHIRAMDDMPJJW-UHFFFAOYSA-N 1 0 242.286 0.339 20 30 BCEDRO CNC(=[NH2+])NC[C@H]1CCCN(c2ncccn2)C1 ZINC000093882613 345666177 /nfs/dbraw/zinc/66/61/77/345666177.db2.gz XFMZKXQTUQTQCB-SNVBAGLBSA-N 1 0 248.334 0.227 20 30 BCEDRO CNC(=[NH2+])NCc1cc(F)cc(OC)c1 ZINC000093882504 345666778 /nfs/dbraw/zinc/66/67/78/345666778.db2.gz AVGPSLZDGJFOAB-UHFFFAOYSA-N 1 0 211.240 0.868 20 30 BCEDRO CNC(=[NH2+])NCCOCc1ccc(OC)cc1 ZINC000092848673 345644642 /nfs/dbraw/zinc/64/46/42/345644642.db2.gz OFIZLBZRHPZIJQ-UHFFFAOYSA-N 1 0 237.303 0.746 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)C(F)(F)F ZINC000563138062 323094815 /nfs/dbraw/zinc/09/48/15/323094815.db2.gz KHTRBYUHTQUQJA-SFYZADRCSA-N 1 0 227.226 0.684 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000335896499 345786802 /nfs/dbraw/zinc/78/68/02/345786802.db2.gz PCJVHZNQEHRJLI-UWVGGRQHSA-N 1 0 209.293 0.556 20 30 BCEDRO C=CCCC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000673532672 488294697 /nfs/dbraw/zinc/29/46/97/488294697.db2.gz GQIJXUTXOZYSPF-NSHDSACASA-N 1 0 226.320 0.526 20 30 BCEDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000235747899 345841000 /nfs/dbraw/zinc/84/10/00/345841000.db2.gz ANGOKCVBGYQFSQ-ZDUSSCGKSA-N 1 0 244.298 0.651 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@H](CO)COC)cc1 ZINC000289556990 345868783 /nfs/dbraw/zinc/86/87/83/345868783.db2.gz GOLVFAZCIDWVDJ-CYBMUJFWSA-N 1 0 219.284 0.765 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)C2CSC2)CC1 ZINC000601042978 346004800 /nfs/dbraw/zinc/00/48/00/346004800.db2.gz PGMCRYNBTHTCSN-UHFFFAOYSA-N 1 0 239.344 0.454 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000563221020 323104520 /nfs/dbraw/zinc/10/45/20/323104520.db2.gz QLDPUZZABBKWQK-NEPJUHHUSA-N 1 0 223.320 0.695 20 30 BCEDRO CO[C@@H]1CCC[C@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000586782565 346103512 /nfs/dbraw/zinc/10/35/12/346103512.db2.gz LFCNJAJRASRREY-WDEREUQCSA-N 1 0 249.318 0.697 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635992445 346142628 /nfs/dbraw/zinc/14/26/28/346142628.db2.gz SLJWHYHSZONGKF-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO CC#CCN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635970230 346127541 /nfs/dbraw/zinc/12/75/41/346127541.db2.gz KWZLSCLYAKVFLV-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000636005959 346148465 /nfs/dbraw/zinc/14/84/65/346148465.db2.gz SCPKVGATURUXSP-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636091479 346317162 /nfs/dbraw/zinc/31/71/62/346317162.db2.gz LLYOVHUQMSUSBC-AEJSXWLSSA-N 1 0 226.320 0.378 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636116116 346323366 /nfs/dbraw/zinc/32/33/66/346323366.db2.gz NFOZLMQLLQDJCY-BREBYQMCSA-N 1 0 240.347 0.768 20 30 BCEDRO C=C[C@H](CO)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000636228372 346361215 /nfs/dbraw/zinc/36/12/15/346361215.db2.gz BHPIYIXQCRTTQE-SNVBAGLBSA-N 1 0 228.336 0.627 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1snnc1C ZINC000641767604 362702410 /nfs/dbraw/zinc/70/24/10/362702410.db2.gz MPLLGWWAPAAUDQ-SECBINFHSA-N 1 0 225.317 0.710 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1c(C)nnn1CC ZINC000641767882 362702675 /nfs/dbraw/zinc/70/26/75/362702675.db2.gz RVZCJCCQDVXQRJ-NSHDSACASA-N 1 0 236.319 0.470 20 30 BCEDRO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419151070 192101188 /nfs/dbraw/zinc/10/11/88/192101188.db2.gz LZBAJFSVFGNGQT-NXEZZACHSA-N 1 0 241.335 0.311 20 30 BCEDRO C=CCCC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000270529494 166234240 /nfs/dbraw/zinc/23/42/40/166234240.db2.gz OHWVUKVGRLEFKN-UHFFFAOYSA-N 1 0 237.303 0.627 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCn2cncn2)C1 ZINC000381792026 346405034 /nfs/dbraw/zinc/40/50/34/346405034.db2.gz AJVLESCISBQEES-GHMZBOCLSA-N 1 0 219.292 0.950 20 30 BCEDRO C#Cc1ccc(C[NH2+]CCC(=O)NC)cc1 ZINC000289267021 346396551 /nfs/dbraw/zinc/39/65/51/346396551.db2.gz NCPXKHIGZSMJFW-UHFFFAOYSA-N 1 0 216.284 0.894 20 30 BCEDRO C[NH2+]CCNC(=O)NCc1ccc(CC#N)cc1 ZINC000580071133 346507696 /nfs/dbraw/zinc/50/76/96/346507696.db2.gz OBIJMMLURVXVNB-UHFFFAOYSA-N 1 0 246.314 0.771 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1COC[C@H]1OC ZINC000577105588 365817800 /nfs/dbraw/zinc/81/78/00/365817800.db2.gz BYRKKABSULQQEO-NXEZZACHSA-N 1 0 201.266 0.192 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(O)cc(C#N)c1 ZINC000588189742 346645543 /nfs/dbraw/zinc/64/55/43/346645543.db2.gz UFLFEAPSBTZNEB-VIFPVBQESA-N 1 0 247.298 0.944 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)o1 ZINC000589209789 346674469 /nfs/dbraw/zinc/67/44/69/346674469.db2.gz UBQFHUOAHBWSFI-VIFPVBQESA-N 1 0 233.271 0.849 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@H](CC(N)=O)C2)o1 ZINC000589209787 346674491 /nfs/dbraw/zinc/67/44/91/346674491.db2.gz UBQFHUOAHBWSFI-SECBINFHSA-N 1 0 233.271 0.849 20 30 BCEDRO N#Cc1cc(N[C@@H]2CCc3cncn3C2)ncn1 ZINC000588067685 346632398 /nfs/dbraw/zinc/63/23/98/346632398.db2.gz IZUFIFMBBVRBRQ-SECBINFHSA-N 1 0 240.270 0.972 20 30 BCEDRO CO[C@@H]1COC[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000580189282 346638051 /nfs/dbraw/zinc/63/80/51/346638051.db2.gz LEAORCJULOVUDL-UKKRHICBSA-N 1 0 210.277 0.682 20 30 BCEDRO CO[C@@H](C)[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000167449112 346709278 /nfs/dbraw/zinc/70/92/78/346709278.db2.gz KONIOJHMNGIYIJ-MNOVXSKESA-N 1 0 225.336 0.987 20 30 BCEDRO CCOC[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000167448332 346709392 /nfs/dbraw/zinc/70/93/92/346709392.db2.gz OUPOWUWANXGBFR-LLVKDONJSA-N 1 0 225.336 0.989 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1cccc(C#N)n1 ZINC000589528058 346711674 /nfs/dbraw/zinc/71/16/74/346711674.db2.gz INPFMBSDGBFXNW-VIFPVBQESA-N 1 0 232.287 0.633 20 30 BCEDRO N#Cc1ccnc(N2CCC([NH2+]CCO)CC2)c1 ZINC000589586798 346716493 /nfs/dbraw/zinc/71/64/93/346716493.db2.gz BYWCUEIUUJBMJI-UHFFFAOYSA-N 1 0 246.314 0.504 20 30 BCEDRO CC(=O)NCC[N@@H+](C)CC1(CC#N)CC1 ZINC000308129117 346689808 /nfs/dbraw/zinc/68/98/08/346689808.db2.gz BASMMVDECJDUKH-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO CCc1nc(C#N)cc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000308244662 346764727 /nfs/dbraw/zinc/76/47/27/346764727.db2.gz VFBGSABFHHXPCI-SECBINFHSA-N 1 0 231.303 0.838 20 30 BCEDRO CCc1nc(C#N)cc(N[C@H]2CC[NH2+]C2)n1 ZINC000308241987 346765057 /nfs/dbraw/zinc/76/50/57/346765057.db2.gz KYXDSNFCTQPUQK-QMMMGPOBSA-N 1 0 217.276 0.684 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CCCC#N)C1 ZINC000590046962 346767277 /nfs/dbraw/zinc/76/72/77/346767277.db2.gz QAULENGIVLPYHE-QWRGUYRKSA-N 1 0 221.304 0.843 20 30 BCEDRO CC[NH+](CC)CCS(=O)(=O)N1CC(C#N)C1 ZINC000590089533 346772353 /nfs/dbraw/zinc/77/23/53/346772353.db2.gz POJPJMQESKERQV-UHFFFAOYSA-N 1 0 245.348 0.113 20 30 BCEDRO C[NH+]1CCC(CC(=O)NC2(C#N)CC2)CC1 ZINC000589838913 346741179 /nfs/dbraw/zinc/74/11/79/346741179.db2.gz ZTRRLXAXOHRIQN-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2c[nH]c(C#N)c2)C1 ZINC000589941356 346754364 /nfs/dbraw/zinc/75/43/64/346754364.db2.gz DVWYBSBICIIUNE-CABZTGNLSA-N 1 0 244.298 0.662 20 30 BCEDRO COCC[N@H+](C)CCNC(=O)CC1(C#N)CC1 ZINC000590210365 346804780 /nfs/dbraw/zinc/80/47/80/346804780.db2.gz WBYROGZTWOGXDC-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO C=CCOCCC[NH2+][C@H](C(=O)NC)C(C)C ZINC000309681605 347133350 /nfs/dbraw/zinc/13/33/50/347133350.db2.gz ZOUGJOHTXKRVCX-NSHDSACASA-N 1 0 228.336 0.939 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCN1C(=O)CCC1=O ZINC000491783399 347191628 /nfs/dbraw/zinc/19/16/28/347191628.db2.gz QZVKZFFZYZODEE-VIFPVBQESA-N 1 0 208.261 0.089 20 30 BCEDRO C=CCOCCCC(=O)NCC1C[NH2+]C1 ZINC000309925822 347202218 /nfs/dbraw/zinc/20/22/18/347202218.db2.gz VEAZLMRKQLKJGD-UHFFFAOYSA-N 1 0 212.293 0.305 20 30 BCEDRO C[C@@H](CC#N)NS(=O)(=O)CCC[NH+](C)C ZINC000601327639 347214130 /nfs/dbraw/zinc/21/41/30/347214130.db2.gz YCMMVWGPOZNGBB-VIFPVBQESA-N 1 0 233.337 0.160 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCCC[N@@H+](C)CCOC ZINC000186007248 347222802 /nfs/dbraw/zinc/22/28/02/347222802.db2.gz WDIXUTDGXOJYBP-LLVKDONJSA-N 1 0 241.335 0.276 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CC1(CO)CC1 ZINC000186818485 347241249 /nfs/dbraw/zinc/24/12/49/347241249.db2.gz NGRWQFLSQDKGEV-SNVBAGLBSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)N1CCNC1=O ZINC000276434631 166257033 /nfs/dbraw/zinc/25/70/33/166257033.db2.gz NYTSQCQRWPHFPL-UHFFFAOYSA-N 1 0 211.265 0.046 20 30 BCEDRO C[C@H](C#N)CNS(=O)(=O)CCC[NH+](C)C ZINC000601360140 347261145 /nfs/dbraw/zinc/26/11/45/347261145.db2.gz VLVCHKKHAALLHF-SECBINFHSA-N 1 0 233.337 0.017 20 30 BCEDRO N#CC1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000590482295 347354641 /nfs/dbraw/zinc/35/46/41/347354641.db2.gz JSCNUJLUMYHMSQ-NSHDSACASA-N 1 0 219.288 0.595 20 30 BCEDRO CN(C)C1(CS(=O)(=O)NCCCC#N)CC1 ZINC000601391654 347303075 /nfs/dbraw/zinc/30/30/75/347303075.db2.gz SPEFHFSWXAEFPN-UHFFFAOYSA-N 1 0 245.348 0.304 20 30 BCEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N1CC(C#N)C1 ZINC000590488955 347383398 /nfs/dbraw/zinc/38/33/98/347383398.db2.gz YQFCPLHBBSWFFM-NXEZZACHSA-N 1 0 221.304 0.841 20 30 BCEDRO [NH2+]=C(NCCCNc1ccccn1)NC1CC1 ZINC000195522537 347457480 /nfs/dbraw/zinc/45/74/80/347457480.db2.gz SNKWUZRBLPGIPN-UHFFFAOYSA-N 1 0 233.319 0.950 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CCC[C@](CO)(OC)C1 ZINC000401635539 347435789 /nfs/dbraw/zinc/43/57/89/347435789.db2.gz CRVSSUARZWOZMT-JQWIXIFHSA-N 1 0 243.303 0.187 20 30 BCEDRO CC(C)(C[NH2+][C@H]1CC[C@@H](C#N)C1)C(N)=O ZINC000336767741 347439888 /nfs/dbraw/zinc/43/98/88/347439888.db2.gz TZWKOPRIERSAKI-BDAKNGLRSA-N 1 0 209.293 0.780 20 30 BCEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1nccc(C#N)n1 ZINC000590696027 347492916 /nfs/dbraw/zinc/49/29/16/347492916.db2.gz ISAWHNKYPIKGQA-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1nccc(C#N)n1 ZINC000590696028 347493020 /nfs/dbraw/zinc/49/30/20/347493020.db2.gz ISAWHNKYPIKGQA-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO CN(C)[C@H]1C[N@H+](CCCC(C)(C)C#N)C[C@@H]1O ZINC000590599011 347479426 /nfs/dbraw/zinc/47/94/26/347479426.db2.gz CTXWPHVBSYVFGX-RYUDHWBXSA-N 1 0 239.363 0.923 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN(CC#N)C1CC1 ZINC000590600567 347480134 /nfs/dbraw/zinc/48/01/34/347480134.db2.gz DQVJRORSIWGNEI-LBPRGKRZSA-N 1 0 225.336 0.675 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)CC[NH2+]C1CC1 ZINC000063093315 347506047 /nfs/dbraw/zinc/50/60/47/347506047.db2.gz DSXYDFWFNZQMEM-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO COCC#CCN1CC[S@](=O)C(C)(C)CC1 ZINC000590760514 347523186 /nfs/dbraw/zinc/52/31/86/347523186.db2.gz QISBAADXMLIPTP-INIZCTEOSA-N 1 0 243.372 0.869 20 30 BCEDRO Cc1cc(C#N)nc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)n1 ZINC000590720085 347500829 /nfs/dbraw/zinc/50/08/29/347500829.db2.gz AOLPNWHRDCZOBB-PWSUYJOCSA-N 1 0 243.314 0.797 20 30 BCEDRO C[C@@H](C(=O)NCC(C)(C)CC#N)[NH+](C)C ZINC000590916468 347588237 /nfs/dbraw/zinc/58/82/37/347588237.db2.gz QVTCUXWWMYMYIT-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000591083573 347616568 /nfs/dbraw/zinc/61/65/68/347616568.db2.gz YMGPXUZLUCXHJL-GFCCVEGCSA-N 1 0 248.330 0.822 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000591083574 347616592 /nfs/dbraw/zinc/61/65/92/347616592.db2.gz YMGPXUZLUCXHJL-LBPRGKRZSA-N 1 0 248.330 0.822 20 30 BCEDRO CC[C@@H](C(=O)N(CCC#N)CCOC)[NH+](C)C ZINC000591169127 347628223 /nfs/dbraw/zinc/62/82/23/347628223.db2.gz BLHZJQUZOOIDID-NSHDSACASA-N 1 0 241.335 0.715 20 30 BCEDRO CCC[C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000591241576 347632961 /nfs/dbraw/zinc/63/29/61/347632961.db2.gz KCPATJOBVYYNEM-NWDGAFQWSA-N 1 0 227.352 0.971 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH+]1CC(C)(C)C1 ZINC000591241769 347633137 /nfs/dbraw/zinc/63/31/37/347633137.db2.gz MOQTZRHIDFUDDL-NSHDSACASA-N 1 0 225.336 0.535 20 30 BCEDRO N#CCCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591356685 347644572 /nfs/dbraw/zinc/64/45/72/347644572.db2.gz YGTNXRNNKPBSBR-SNVBAGLBSA-N 1 0 224.308 0.731 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591358751 347645444 /nfs/dbraw/zinc/64/54/44/347645444.db2.gz AKTCXPGOXYMSSA-MNOVXSKESA-N 1 0 238.335 0.930 20 30 BCEDRO CC[NH2+]CCCNC(=O)N1CC[C@](F)(C#N)C1 ZINC000591358530 347645487 /nfs/dbraw/zinc/64/54/87/347645487.db2.gz CCNCLRJGHDLAQB-NSHDSACASA-N 1 0 242.298 0.633 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000591055412 347612022 /nfs/dbraw/zinc/61/20/22/347612022.db2.gz XLMVTKWCTINSSG-ZDUSSCGKSA-N 1 0 239.315 0.911 20 30 BCEDRO C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1CCC1 ZINC000591757243 347691639 /nfs/dbraw/zinc/69/16/39/347691639.db2.gz DHQBPVUDUITFGK-AAEUAGOBSA-N 1 0 239.363 0.971 20 30 BCEDRO COC[C@H](C)OC[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759621 347692758 /nfs/dbraw/zinc/69/27/58/347692758.db2.gz QCKNYRNOOGQVHO-WDEREUQCSA-N 1 0 244.335 0.538 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]CCc1cccc(C#N)c1 ZINC000343523205 133693948 /nfs/dbraw/zinc/69/39/48/133693948.db2.gz FFWDJSLCLZKHOZ-JTQLQIEISA-N 1 0 231.299 0.954 20 30 BCEDRO N#Cc1cnccc1CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000592062974 347725762 /nfs/dbraw/zinc/72/57/62/347725762.db2.gz OVKDBQLPDZFRAU-CHWSQXEVSA-N 1 0 228.299 0.604 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CCc2cn[nH]c2)C1 ZINC000592150157 347740640 /nfs/dbraw/zinc/74/06/40/347740640.db2.gz BGOJTAVFQJWRHJ-NSHDSACASA-N 1 0 220.276 0.303 20 30 BCEDRO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150531 347741734 /nfs/dbraw/zinc/74/17/34/347741734.db2.gz GCPBURQMMBQDOT-CYBMUJFWSA-N 1 0 248.330 0.887 20 30 BCEDRO CC(C)OC(=O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150914 347742176 /nfs/dbraw/zinc/74/21/76/347742176.db2.gz JPYUMSBFAHMBNY-LBPRGKRZSA-N 1 0 240.303 0.679 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CC2CCOCC2)C1 ZINC000592150891 347742272 /nfs/dbraw/zinc/74/22/72/347742272.db2.gz JEUKCJAVJOKNSL-GFCCVEGCSA-N 1 0 224.304 0.763 20 30 BCEDRO CCOCCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152206 347742993 /nfs/dbraw/zinc/74/29/93/347742993.db2.gz VRILEINPTFDWJO-LLVKDONJSA-N 1 0 212.293 0.763 20 30 BCEDRO CCn1cc(CC[N@@H+]2CC[C@@](O)(CC#N)C2)cn1 ZINC000592152892 347743687 /nfs/dbraw/zinc/74/36/87/347743687.db2.gz GJXRZTAHTFPTIE-ZDUSSCGKSA-N 1 0 248.330 0.796 20 30 BCEDRO Cc1ccn(CC2C[NH2+]C2)c(=O)c1C#N ZINC000592162677 347745822 /nfs/dbraw/zinc/74/58/22/347745822.db2.gz AZPPBPDALQGWFF-UHFFFAOYSA-N 1 0 203.245 0.248 20 30 BCEDRO Cc1cc(C#N)ccc1Cn1nnnc1C[NH3+] ZINC000592172917 347758420 /nfs/dbraw/zinc/75/84/20/347758420.db2.gz JKAGGHOUBFOVIM-UHFFFAOYSA-N 1 0 228.259 0.360 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N(CCC#N)CCC#N)CC[N@@H+]1C ZINC000592754012 347810075 /nfs/dbraw/zinc/81/00/75/347810075.db2.gz JEBKOMWBNXBSKT-VXGBXAGGSA-N 1 0 248.330 0.983 20 30 BCEDRO CCN(CC#N)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592753730 347810894 /nfs/dbraw/zinc/81/08/94/347810894.db2.gz STWKTUAFXMQBMW-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@@H]1[C@H](C(=O)NC2(C#N)CC2)CC[N@@H+]1C ZINC000592763156 347815569 /nfs/dbraw/zinc/81/55/69/347815569.db2.gz AOXGKNHKZKIPDF-RKDXNWHRSA-N 1 0 207.277 0.499 20 30 BCEDRO C[C@@H](C#N)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592762246 347815578 /nfs/dbraw/zinc/81/55/78/347815578.db2.gz IUWRIIPBMBJUBZ-IVZWLZJFSA-N 1 0 209.293 0.602 20 30 BCEDRO N#Cc1cnccc1CN1CCC[NH2+]CC1 ZINC000592469576 347789381 /nfs/dbraw/zinc/78/93/81/347789381.db2.gz QSACLPKRMZQJDE-UHFFFAOYSA-N 1 0 216.288 0.749 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1Cc1ccncc1C#N ZINC000592470921 347790075 /nfs/dbraw/zinc/79/00/75/347790075.db2.gz UJDDFXXNQDKRQF-SNVBAGLBSA-N 1 0 216.288 0.747 20 30 BCEDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccncc2C#N)CCO1 ZINC000592475601 347791609 /nfs/dbraw/zinc/79/16/09/347791609.db2.gz PLHXQIWDAYPUPK-ZWNOBZJWSA-N 1 0 246.314 0.501 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000593028345 347847080 /nfs/dbraw/zinc/84/70/80/347847080.db2.gz BEUUHLZKZYJBAR-PWSUYJOCSA-N 1 0 221.304 0.891 20 30 BCEDRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC000593051385 347853127 /nfs/dbraw/zinc/85/31/27/347853127.db2.gz LTBIBMRLEKWYAY-VHSXEESVSA-N 1 0 227.308 0.013 20 30 BCEDRO N#CCSCCC[N@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593096182 347854237 /nfs/dbraw/zinc/85/42/37/347854237.db2.gz CVRHECJHRULEJS-YHAQOWFVSA-N 1 0 244.385 0.838 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593098611 347856250 /nfs/dbraw/zinc/85/62/50/347856250.db2.gz YEJMMSKXAWPJIR-BQVMBELUSA-N 1 0 229.345 0.519 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CCC[NH2+]CC1 ZINC000237408880 166275451 /nfs/dbraw/zinc/27/54/51/166275451.db2.gz TWIYMFSLVMUBJR-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@H](C)C[NH3+] ZINC000261536032 166276330 /nfs/dbraw/zinc/27/63/30/166276330.db2.gz QEAIJFDUEZZMEV-DTWKUNHWSA-N 1 0 200.282 0.431 20 30 BCEDRO C[C@@H](CCO)[N@H+](C)CCOCCC#N ZINC000593109192 347860564 /nfs/dbraw/zinc/86/05/64/347860564.db2.gz WEMPUDYBHJJXIM-JTQLQIEISA-N 1 0 200.282 0.619 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000593415782 347893514 /nfs/dbraw/zinc/89/35/14/347893514.db2.gz VNSCFYWTOQSHLF-ONGXEEELSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593713926 347935690 /nfs/dbraw/zinc/93/56/90/347935690.db2.gz DHATVQLVOJKBCU-SECBINFHSA-N 1 0 244.298 0.931 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000593717002 347936078 /nfs/dbraw/zinc/93/60/78/347936078.db2.gz SONXLGXJNJMMQH-SNVBAGLBSA-N 1 0 238.335 0.916 20 30 BCEDRO CN(CCC[NH3+])C(=O)COc1ccc(C#N)cc1 ZINC000593903274 347967170 /nfs/dbraw/zinc/96/71/70/347967170.db2.gz WGMXTIBNTHOENH-UHFFFAOYSA-N 1 0 247.298 0.744 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000593905166 347967911 /nfs/dbraw/zinc/96/79/11/347967911.db2.gz PSRZZZLHFUMMJM-NXEZZACHSA-N 1 0 247.298 0.789 20 30 BCEDRO N#CCc1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000593904115 347967920 /nfs/dbraw/zinc/96/79/20/347967920.db2.gz KTHTUKDTLMANSJ-LBPRGKRZSA-N 1 0 229.283 0.844 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000593905323 347968081 /nfs/dbraw/zinc/96/80/81/347968081.db2.gz PSRZZZLHFUMMJM-ZJUUUORDSA-N 1 0 247.298 0.789 20 30 BCEDRO N#CCc1cccc(C(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000593904114 347968097 /nfs/dbraw/zinc/96/80/97/347968097.db2.gz KTHTUKDTLMANSJ-GFCCVEGCSA-N 1 0 229.283 0.844 20 30 BCEDRO N#CC1(C(=O)NCC2C[NH2+]C2)CCCC1 ZINC000593905977 347968455 /nfs/dbraw/zinc/96/84/55/347968455.db2.gz QPFIPSYCMIKCMK-UHFFFAOYSA-N 1 0 207.277 0.406 20 30 BCEDRO N#Cc1ccc(OCC(=O)NCCCC[NH3+])cc1 ZINC000593906807 347968521 /nfs/dbraw/zinc/96/85/21/347968521.db2.gz VKILTDHDWMBSJZ-UHFFFAOYSA-N 1 0 247.298 0.792 20 30 BCEDRO Cc1nc(C(=O)N2C[C@H](C)[C@H]([NH3+])C2)ccc1C#N ZINC000593908702 347969280 /nfs/dbraw/zinc/96/92/80/347969280.db2.gz WSUJKBPYDVTRQS-GZMMTYOYSA-N 1 0 244.298 0.681 20 30 BCEDRO CCOC(=O)COCC[NH2+][C@@H](CC)CC#N ZINC000594008712 347984764 /nfs/dbraw/zinc/98/47/64/347984764.db2.gz ZPPSKQQPMPWUQQ-JTQLQIEISA-N 1 0 228.292 0.848 20 30 BCEDRO CN(C)C(=O)CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000594015987 347989860 /nfs/dbraw/zinc/98/98/60/347989860.db2.gz QYROYCWUMDEWRI-LBPRGKRZSA-N 1 0 239.319 0.205 20 30 BCEDRO N#Cc1ccc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000593947826 347977904 /nfs/dbraw/zinc/97/79/04/347977904.db2.gz ZESYBQFFKXJQCV-VXGBXAGGSA-N 1 0 228.299 0.604 20 30 BCEDRO C[C@@H](CC#N)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594525686 348069600 /nfs/dbraw/zinc/06/96/00/348069600.db2.gz SYFGNBFKZPPYOV-NTSWFWBYSA-N 1 0 238.213 0.477 20 30 BCEDRO CN(CCC#N)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594524515 348069906 /nfs/dbraw/zinc/06/99/06/348069906.db2.gz KITJFTKRXFQJFD-ZCFIWIBFSA-N 1 0 238.213 0.431 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCCCC#N ZINC000594325448 348033950 /nfs/dbraw/zinc/03/39/50/348033950.db2.gz GGXWGMZNXHJMOS-LBPRGKRZSA-N 1 0 241.335 0.499 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@@](F)(C#N)C2)C1 ZINC000594342876 348036927 /nfs/dbraw/zinc/03/69/27/348036927.db2.gz MKXUKAPMRAZNKY-CMPLNLGQSA-N 1 0 239.294 0.792 20 30 BCEDRO CCOCCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594428136 348044968 /nfs/dbraw/zinc/04/49/68/348044968.db2.gz ZQPDJJUIKOIWKN-NSHDSACASA-N 1 0 241.335 0.940 20 30 BCEDRO COCCCN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594432174 348045490 /nfs/dbraw/zinc/04/54/90/348045490.db2.gz ZCUOHTFERSVNOA-LLVKDONJSA-N 1 0 241.335 0.893 20 30 BCEDRO COCCCN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594432175 348045902 /nfs/dbraw/zinc/04/59/02/348045902.db2.gz ZCUOHTFERSVNOA-NSHDSACASA-N 1 0 241.335 0.893 20 30 BCEDRO Cn1cc(NC(=O)[C@H]([NH3+])CCCCC#N)cn1 ZINC000594425500 348051060 /nfs/dbraw/zinc/05/10/60/348051060.db2.gz ACAUNVUUADOOJK-SNVBAGLBSA-N 1 0 235.291 0.770 20 30 BCEDRO CN1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594439144 348054195 /nfs/dbraw/zinc/05/41/95/348054195.db2.gz OXNSRCAFFRZWKB-NSHDSACASA-N 1 0 238.335 0.172 20 30 BCEDRO N#CCCCCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000594444812 348055565 /nfs/dbraw/zinc/05/55/65/348055565.db2.gz YSYUBKYSEWYHOZ-JZYVYDRUSA-N 1 0 207.277 0.404 20 30 BCEDRO CO[C@H](C[NH2+][C@@H](C)CC#N)[C@H]1CCOC1 ZINC000594710459 348104350 /nfs/dbraw/zinc/10/43/50/348104350.db2.gz LGGHOBGSUXWEOR-GARJFASQSA-N 1 0 212.293 0.930 20 30 BCEDRO CCOC(=O)CC[C@@H](O)C[NH+]1CC(CC#N)C1 ZINC000594716769 348106255 /nfs/dbraw/zinc/10/62/55/348106255.db2.gz VLQHRNWVZMDFLZ-LLVKDONJSA-N 1 0 240.303 0.536 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H]([NH2+]C(C)C)C1 ZINC000594740643 348111176 /nfs/dbraw/zinc/11/11/76/348111176.db2.gz OMKTYBGLTDJSMZ-LBPRGKRZSA-N 1 0 239.363 0.751 20 30 BCEDRO C[C@H](C#N)CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594612698 348083108 /nfs/dbraw/zinc/08/31/08/348083108.db2.gz PQEFGDZTNIOEJL-YPMHNXCESA-N 1 0 237.347 0.989 20 30 BCEDRO C[C@@H](C#N)CNC1CC[NH+]([C@H]2CCOC2)CC1 ZINC000594612695 348083200 /nfs/dbraw/zinc/08/32/00/348083200.db2.gz PQEFGDZTNIOEJL-AAEUAGOBSA-N 1 0 237.347 0.989 20 30 BCEDRO N#Cc1ccccc1-n1cc(COCC[NH3+])nn1 ZINC000594651682 348089754 /nfs/dbraw/zinc/08/97/54/348089754.db2.gz JDJZCUJFCJEYIR-UHFFFAOYSA-N 1 0 243.270 0.614 20 30 BCEDRO N#Cc1cccc(-n2cc(C[C@@H]([NH3+])CO)nn2)c1 ZINC000594652562 348090584 /nfs/dbraw/zinc/09/05/84/348090584.db2.gz TUVXYLKRFVFZFN-SNVBAGLBSA-N 1 0 243.270 0.001 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000132760313 323175553 /nfs/dbraw/zinc/17/55/53/323175553.db2.gz MLAMARAJRCAPPL-JTQLQIEISA-N 1 0 247.364 0.068 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594933704 348140699 /nfs/dbraw/zinc/14/06/99/348140699.db2.gz BGUHTNXFKYGOFQ-WRWGMCAJSA-N 1 0 241.331 0.958 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594944226 348145081 /nfs/dbraw/zinc/14/50/81/348145081.db2.gz RRVXUFOHHCYUCO-VWYCJHECSA-N 1 0 227.304 0.976 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594994996 348167818 /nfs/dbraw/zinc/16/78/18/348167818.db2.gz JQMNYHSIKTYQMV-ZYUZMQFOSA-N 1 0 213.277 0.321 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)CSCCF ZINC000595027815 348173356 /nfs/dbraw/zinc/17/33/56/348173356.db2.gz QKFDXYCLDMGHJH-SECBINFHSA-N 1 0 234.340 0.969 20 30 BCEDRO N#CCC[N@H+](CC1CC1)C[C@@H]1CNC(=O)C1 ZINC000595336024 348220617 /nfs/dbraw/zinc/22/06/17/348220617.db2.gz YZIGYLCCBVFAFK-NSHDSACASA-N 1 0 221.304 0.748 20 30 BCEDRO CC1(C#N)CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000595053941 348181530 /nfs/dbraw/zinc/18/15/30/348181530.db2.gz JVHMQZOJPPFAMS-YZRBJQDESA-N 1 0 221.304 0.937 20 30 BCEDRO CN1C[C@H](C[NH2+][C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC000595092487 348192550 /nfs/dbraw/zinc/19/25/50/348192550.db2.gz WAEUEPSUDPNGEN-OUAUKWLOSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@H]([NH3+])C(=O)NCCc1ccc(C#N)cc1 ZINC000595251697 348203034 /nfs/dbraw/zinc/20/30/34/348203034.db2.gz WFEJWBVFXHEUEU-SECBINFHSA-N 1 0 217.272 0.564 20 30 BCEDRO COCC1(N(C)C(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000595255609 348204110 /nfs/dbraw/zinc/20/41/10/348204110.db2.gz GMPGSOBXGCKQOU-SNVBAGLBSA-N 1 0 239.319 0.645 20 30 BCEDRO N#Cc1ccc(CCNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000595257271 348204886 /nfs/dbraw/zinc/20/48/86/348204886.db2.gz RYZIVJKTEIMPGY-GFCCVEGCSA-N 1 0 229.283 0.579 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)NCC1(C#N)CC1 ZINC000595262394 348206911 /nfs/dbraw/zinc/20/69/11/348206911.db2.gz HVTLXHPHXYHYDX-MRVPVSSYSA-N 1 0 210.281 0.197 20 30 BCEDRO CC(C)(C#N)CNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595263392 348206933 /nfs/dbraw/zinc/20/69/33/348206933.db2.gz AMYVBQRSENOVPU-RKDXNWHRSA-N 1 0 242.298 0.617 20 30 BCEDRO N#CCC1(CNC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000595262285 348207098 /nfs/dbraw/zinc/20/70/98/348207098.db2.gz ABHHOLNSVJZHCK-UHFFFAOYSA-N 1 0 248.330 0.813 20 30 BCEDRO N#CCCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595263568 348207204 /nfs/dbraw/zinc/20/72/04/348207204.db2.gz FTDVVUYZVZTISV-RKDXNWHRSA-N 1 0 228.271 0.371 20 30 BCEDRO C=CCCSCCNC(=O)NCC1C[NH2+]C1 ZINC000595265272 348207579 /nfs/dbraw/zinc/20/75/79/348207579.db2.gz NJXLAVLULFRQKG-UHFFFAOYSA-N 1 0 243.376 0.814 20 30 BCEDRO C=CCCSCCNC(=O)N[C@H](C)C[NH3+] ZINC000595264692 348207741 /nfs/dbraw/zinc/20/77/41/348207741.db2.gz FQSOBAAVWOBHEG-SECBINFHSA-N 1 0 231.365 0.942 20 30 BCEDRO C[C@@H](CC[NH3+])NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595265301 348207781 /nfs/dbraw/zinc/20/77/81/348207781.db2.gz NYXAIZBJBUHKPR-ONGXEEELSA-N 1 0 224.308 0.669 20 30 BCEDRO N#CCCCNC(=O)NCC1([NH3+])CCCC1 ZINC000595265042 348207794 /nfs/dbraw/zinc/20/77/94/348207794.db2.gz WCIRSUXYFLSUJS-UHFFFAOYSA-N 1 0 224.308 0.861 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000595264697 348207854 /nfs/dbraw/zinc/20/78/54/348207854.db2.gz FVODARXFIWOCGI-CMPLNLGQSA-N 1 0 236.319 0.669 20 30 BCEDRO CC[NH2+][C@H](C)CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595265916 348208667 /nfs/dbraw/zinc/20/86/67/348208667.db2.gz XDDKFDFANSTHEZ-ZYHUDNBSSA-N 1 0 238.335 0.930 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000595273080 348210486 /nfs/dbraw/zinc/21/04/86/348210486.db2.gz IHLDBWVRDCTLKZ-MSLYCWSTSA-N 1 0 248.330 0.730 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NC/C=C\C[NH3+])C1 ZINC000595273241 348210575 /nfs/dbraw/zinc/21/05/75/348210575.db2.gz JLQLEZIXGPTCII-OTDNITJGSA-N 1 0 222.292 0.446 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000595275173 348211252 /nfs/dbraw/zinc/21/12/52/348211252.db2.gz IMCPRPFFKXTTCC-JQWIXIFHSA-N 1 0 238.335 0.930 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(CCC(=O)OC)C1=O ZINC000595444785 348251375 /nfs/dbraw/zinc/25/13/75/348251375.db2.gz FLWLEYMIAIOLBO-JTQLQIEISA-N 1 0 240.303 0.268 20 30 BCEDRO C=CCCS(=O)(=O)NC(C)(C)C[NH3+] ZINC000261528375 166291444 /nfs/dbraw/zinc/29/14/44/166291444.db2.gz LALCZZKVMDMSLT-UHFFFAOYSA-N 1 0 206.311 0.219 20 30 BCEDRO CN(CCC(=O)N(C)CCC#N)Cc1c[nH]cn1 ZINC000595593717 348278750 /nfs/dbraw/zinc/27/87/50/348278750.db2.gz YIAIKGXMRVWQSI-UHFFFAOYSA-N 1 0 249.318 0.604 20 30 BCEDRO C=CC[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000595601614 348286282 /nfs/dbraw/zinc/28/62/82/348286282.db2.gz DIFZVEXEYLXGTF-NXEZZACHSA-N 1 0 239.319 0.906 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000595613353 348288251 /nfs/dbraw/zinc/28/82/51/348288251.db2.gz BMSROKUPQMCPJJ-SNVBAGLBSA-N 1 0 245.348 0.291 20 30 BCEDRO C=CC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000595659441 348298874 /nfs/dbraw/zinc/29/88/74/348298874.db2.gz MJCFNCGOCNOCCF-NSHDSACASA-N 1 0 221.304 0.914 20 30 BCEDRO C[C@@H](CNC(=O)N1CC[C@@](C)(C#N)C1)[NH+](C)C ZINC000595642469 348304116 /nfs/dbraw/zinc/30/41/16/348304116.db2.gz IXKHSVMYXBKHCH-JQWIXIFHSA-N 1 0 238.335 0.882 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000419328229 192122020 /nfs/dbraw/zinc/12/20/20/192122020.db2.gz OGQKTCFKSYCNAR-NWDGAFQWSA-N 1 0 212.337 0.949 20 30 BCEDRO C=C(C)C[N@H+]1C[C@@H](C)N(CCO)C[C@H]1C ZINC000419326004 192122240 /nfs/dbraw/zinc/12/22/40/192122240.db2.gz LMSSAQCLUDDGQQ-VXGBXAGGSA-N 1 0 212.337 0.949 20 30 BCEDRO C[C@@H](C#N)N(C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000595710260 348322034 /nfs/dbraw/zinc/32/20/34/348322034.db2.gz OREJWCKPEFXRFR-GXFFZTMASA-N 1 0 237.347 0.818 20 30 BCEDRO C[C@@H](C#N)N(C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000595710257 348322105 /nfs/dbraw/zinc/32/21/05/348322105.db2.gz OREJWCKPEFXRFR-GWCFXTLKSA-N 1 0 237.347 0.818 20 30 BCEDRO C[N@H+](CCOCCC#N)C[C@@H]1COCCO1 ZINC000595734776 348318215 /nfs/dbraw/zinc/31/82/15/348318215.db2.gz BBHLDQUGTRAABG-LLVKDONJSA-N 1 0 228.292 0.264 20 30 BCEDRO C=CC[N@H+](CC(=O)NC(N)=O)C(C)(C)C ZINC000595764020 348333327 /nfs/dbraw/zinc/33/33/27/348333327.db2.gz VNMRFSIFZNKYPD-UHFFFAOYSA-N 1 0 213.281 0.468 20 30 BCEDRO CN1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)CCC1=O ZINC000595772823 348337228 /nfs/dbraw/zinc/33/72/28/348337228.db2.gz ODTCMJAYCMAZAX-MNOVXSKESA-N 1 0 221.304 0.843 20 30 BCEDRO C[N@H+](C[C@H](O)CN1CC[C@](C)(C#N)C1)C1CC1 ZINC000595841327 348376072 /nfs/dbraw/zinc/37/60/72/348376072.db2.gz KGEAKGAUSACMOT-QWHCGFSZSA-N 1 0 237.347 0.677 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@@](C)(C#N)C1 ZINC000595842877 348378932 /nfs/dbraw/zinc/37/89/32/348378932.db2.gz WARBCXVHMQBSDI-OLZOCXBDSA-N 1 0 239.363 0.923 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@](C)(C#N)C1 ZINC000595842881 348379350 /nfs/dbraw/zinc/37/93/50/348379350.db2.gz WARBCXVHMQBSDI-STQMWFEESA-N 1 0 239.363 0.923 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+](CC(N)=O)CC(C)C ZINC000178054206 166298129 /nfs/dbraw/zinc/29/81/29/166298129.db2.gz HYDWVPSTEBMUTN-LLVKDONJSA-N 1 0 228.336 0.757 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000595864070 348383708 /nfs/dbraw/zinc/38/37/08/348383708.db2.gz OPHRFDOKCSRQJU-VHSXEESVSA-N 1 0 237.303 0.074 20 30 BCEDRO N#CCCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595863742 348383841 /nfs/dbraw/zinc/38/38/41/348383841.db2.gz OHVSNNBLFWAEHZ-ZDUSSCGKSA-N 1 0 237.347 0.821 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC[S@@](=O)c1ccccc1 ZINC000595864353 348384617 /nfs/dbraw/zinc/38/46/17/348384617.db2.gz ZNIREICTXQZMGD-BDJLRTHQSA-N 1 0 239.340 0.931 20 30 BCEDRO CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@H](C)C#N ZINC000595821379 348363258 /nfs/dbraw/zinc/36/32/58/348363258.db2.gz UWDYXDZRJHGQDD-VXGBXAGGSA-N 1 0 227.352 0.921 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000595963305 348406209 /nfs/dbraw/zinc/40/62/09/348406209.db2.gz KPIHVYQQHZHMFW-ZRUFSTJUSA-N 1 0 237.303 0.159 20 30 BCEDRO N#Cc1ccc(CCNC(=O)CCC[NH3+])cc1 ZINC000595936504 348408765 /nfs/dbraw/zinc/40/87/65/348408765.db2.gz ASQZVLWOMUAXCI-UHFFFAOYSA-N 1 0 231.299 0.956 20 30 BCEDRO C[C@@]1(C#N)CCN([C@H]2CC(=O)N(C3CC3)C2=O)C1 ZINC000596010453 348412932 /nfs/dbraw/zinc/41/29/32/348412932.db2.gz AQJNAAABFJMQDE-GWCFXTLKSA-N 1 0 247.298 0.512 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000595979678 348414158 /nfs/dbraw/zinc/41/41/58/348414158.db2.gz CHVMBNPOIMZHLF-GFCCVEGCSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000595979697 348414385 /nfs/dbraw/zinc/41/43/85/348414385.db2.gz CLWJYWCHDJKHDU-JQWIXIFHSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@H]([NH3+])CCC(=O)N1CC[C@](C)(C#N)C1 ZINC000595981076 348415816 /nfs/dbraw/zinc/41/58/16/348415816.db2.gz MBKWZJMAZOEGAR-MWLCHTKSSA-N 1 0 209.293 0.876 20 30 BCEDRO CC1(C(=O)N2CC[C@](C)(C#N)C2)C[NH2+]C1 ZINC000595981071 348415898 /nfs/dbraw/zinc/41/58/98/348415898.db2.gz MAPYPBGSZJNQKW-SNVBAGLBSA-N 1 0 207.277 0.358 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000595982500 348417289 /nfs/dbraw/zinc/41/72/89/348417289.db2.gz WKXJDOCYCGXQDL-RTXFEEFZSA-N 1 0 233.315 0.748 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000595982494 348417643 /nfs/dbraw/zinc/41/76/43/348417643.db2.gz WKDQOKLLJHRXEO-CMPLNLGQSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@]1(C(=O)N2CC[C@](C)(C#N)C2)CC[NH2+]C1 ZINC000595982416 348417649 /nfs/dbraw/zinc/41/76/49/348417649.db2.gz UUSKJLHEXSKGSZ-VXGBXAGGSA-N 1 0 221.304 0.748 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000595982041 348417784 /nfs/dbraw/zinc/41/77/84/348417784.db2.gz RPWDQKRXMSKVQA-JQWIXIFHSA-N 1 0 237.303 0.127 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)COc1ccc(C#N)cc1 ZINC000595985071 348419261 /nfs/dbraw/zinc/41/92/61/348419261.db2.gz VGVYOFYWSHDZEK-JTQLQIEISA-N 1 0 247.298 0.661 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[C@H]2[NH3+])C1 ZINC000595932096 348393291 /nfs/dbraw/zinc/39/32/91/348393291.db2.gz LDZFSPNDFGKMAK-ZRUFSTJUSA-N 1 0 221.304 0.922 20 30 BCEDRO C[N@@H+](CC(=O)NCC#N)C[C@H]1CC1(C)C ZINC000595912651 348399523 /nfs/dbraw/zinc/39/95/23/348399523.db2.gz OIBQLZYVMYXECR-SECBINFHSA-N 1 0 209.293 0.604 20 30 BCEDRO C=C(C)C[N@H+]1CCC[C@H]1C(=O)NCC(=O)OC ZINC000419341714 192126065 /nfs/dbraw/zinc/12/60/65/192126065.db2.gz AWLKQRWKYIKXAB-JTQLQIEISA-N 1 0 240.303 0.316 20 30 BCEDRO N#Cc1ccc(N2CCC[C@H]3C[NH2+]C[C@H]32)nc1N ZINC000596014118 348430082 /nfs/dbraw/zinc/43/00/82/348430082.db2.gz NLZVKIUAKDWQLW-WDEREUQCSA-N 1 0 243.314 0.724 20 30 BCEDRO COC(=O)c1ccc(N2CC[NH2+]CC2)c(C#N)n1 ZINC000596016008 348430478 /nfs/dbraw/zinc/43/04/78/348430478.db2.gz MUEMUSDCVUVGRV-UHFFFAOYSA-N 1 0 246.270 0.149 20 30 BCEDRO N#Cc1ccc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)nc1N ZINC000596015613 348430655 /nfs/dbraw/zinc/43/06/55/348430655.db2.gz FPDHYXOAMBFICL-GXSJLCMTSA-N 1 0 243.314 0.724 20 30 BCEDRO N#Cc1ccc(N2CCC[C@H]([NH3+])C2)nc1N ZINC000596015958 348430733 /nfs/dbraw/zinc/43/07/33/348430733.db2.gz KXPDTDYWNYIVCO-VIFPVBQESA-N 1 0 217.276 0.463 20 30 BCEDRO N#Cc1cncnc1N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000596016964 348431288 /nfs/dbraw/zinc/43/12/88/348431288.db2.gz WYRHXBXLCBABLM-KOLCDFICSA-N 1 0 229.287 0.536 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1=CCCC1 ZINC000596065421 348435909 /nfs/dbraw/zinc/43/59/09/348435909.db2.gz IFGZLSOZDNQYDI-ZDUSSCGKSA-N 1 0 237.347 0.893 20 30 BCEDRO CN(CC[N@H+](C)C1CC1)c1cc(C#N)cnn1 ZINC000596194526 348458404 /nfs/dbraw/zinc/45/84/04/348458404.db2.gz NABUGLNRUZVPBN-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@@H]1CN(c2cc(C#N)cnn2)[C@@H](C)C[N@@H+]1C ZINC000596177126 348462427 /nfs/dbraw/zinc/46/24/27/348462427.db2.gz DZFREFOFKXKWHA-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cc(C#N)cnn1 ZINC000596177123 348462505 /nfs/dbraw/zinc/46/25/05/348462505.db2.gz DZFREFOFKXKWHA-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO CN(CC1C[NH+](C)C1)c1cccnc1C#N ZINC000596455042 348541825 /nfs/dbraw/zinc/54/18/25/348541825.db2.gz YWNUXULCOHYIOD-UHFFFAOYSA-N 1 0 216.288 0.951 20 30 BCEDRO Cc1cc(C[NH2+][C@H](CO)[C@@H](C)O)ccc1C#N ZINC000419794151 192144637 /nfs/dbraw/zinc/14/46/37/192144637.db2.gz DZGMAGIQJSKPLH-ZWNOBZJWSA-N 1 0 234.299 0.698 20 30 BCEDRO C[C@@H](CCNc1ncncc1C#N)[NH+](C)C ZINC000596428714 348530028 /nfs/dbraw/zinc/53/00/28/348530028.db2.gz GYPZKXNQEOTVCC-VIFPVBQESA-N 1 0 219.292 0.522 20 30 BCEDRO CCN(C(=O)NC[C@@H](C)C#N)[C@@H]1CC[N@H+](C)C1 ZINC000596550290 348586389 /nfs/dbraw/zinc/58/63/89/348586389.db2.gz LOPBTOZIDLAHCZ-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO C=CCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000308787774 348590150 /nfs/dbraw/zinc/59/01/50/348590150.db2.gz HACLBWZPPPUDJF-NSHDSACASA-N 1 0 209.293 0.800 20 30 BCEDRO C=CCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000308787773 348590287 /nfs/dbraw/zinc/59/02/87/348590287.db2.gz HACLBWZPPPUDJF-LLVKDONJSA-N 1 0 209.293 0.800 20 30 BCEDRO CC[NH+](CC)CCNC(=O)[C@H](C)CC#N ZINC000596618613 348594954 /nfs/dbraw/zinc/59/49/54/348594954.db2.gz OUHLFLBEYRMNTM-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO C[C@@H](CC#N)C(=O)NC1CC[NH+](C)CC1 ZINC000596671712 348602129 /nfs/dbraw/zinc/60/21/29/348602129.db2.gz JZAIQNIKJHQSHK-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCCCCNC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419993854 192155869 /nfs/dbraw/zinc/15/58/69/192155869.db2.gz KUBJQEHHBYSNEZ-SNVBAGLBSA-N 1 0 241.335 0.312 20 30 BCEDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1cccc(C#N)c1 ZINC000323796965 348615224 /nfs/dbraw/zinc/61/52/24/348615224.db2.gz DXTVBLOANLUEKL-BIMULSAOSA-N 1 0 232.283 0.969 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)C1([NH+](C)C)CC1 ZINC000596894751 348630931 /nfs/dbraw/zinc/63/09/31/348630931.db2.gz PNUGNFAYQIGTPN-VIFPVBQESA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@@H](CC#N)C(=O)NCC[N@H+](C)C1CC1 ZINC000596923504 348634818 /nfs/dbraw/zinc/63/48/18/348634818.db2.gz VHELBYBSMVCVRP-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000597446132 348738642 /nfs/dbraw/zinc/73/86/42/348738642.db2.gz LLLVAGXWQGWNJB-UTLUCORTSA-N 1 0 244.360 0.037 20 30 BCEDRO N#Cc1cc(NC2CC[NH2+]CC2)ncn1 ZINC000308804249 348695328 /nfs/dbraw/zinc/69/53/28/348695328.db2.gz LYPDXVSENZGFJX-UHFFFAOYSA-N 1 0 203.249 0.512 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000597690040 348780797 /nfs/dbraw/zinc/78/07/97/348780797.db2.gz TVUINVZGFNDNFK-OUAUKWLOSA-N 1 0 221.304 0.699 20 30 BCEDRO C=CCOCC(=O)NC[C@@H](C)[NH+](C)C ZINC000354581494 348783366 /nfs/dbraw/zinc/78/33/66/348783366.db2.gz PTNIXGGYGRZYIV-SECBINFHSA-N 1 0 200.282 0.255 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1ccnn1CC ZINC000184281553 348791508 /nfs/dbraw/zinc/79/15/08/348791508.db2.gz CJFBEWJHKYTADF-SNVBAGLBSA-N 1 0 209.293 0.930 20 30 BCEDRO N#CCC(=O)N1CC[C@H](N2CCC2)[C@H](F)C1 ZINC000597576921 348762108 /nfs/dbraw/zinc/76/21/08/348762108.db2.gz DYMRNDRPZFNSNX-ZJUUUORDSA-N 1 0 225.267 0.545 20 30 BCEDRO CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@@H](C)C#N ZINC000598359875 348945263 /nfs/dbraw/zinc/94/52/63/348945263.db2.gz NLDZAKBIVQDSHW-VHSXEESVSA-N 1 0 209.293 0.841 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(C#N)nc1 ZINC000598162593 348897459 /nfs/dbraw/zinc/89/74/59/348897459.db2.gz JXOWGEUYZFQTKG-UHFFFAOYSA-N 1 0 244.298 0.587 20 30 BCEDRO C[N@H+](CCC(N)=O)C[C@@H](O)CC(C)(C)C#N ZINC000598618405 349001931 /nfs/dbraw/zinc/00/19/31/349001931.db2.gz XUZRBOACYFTHCD-VIFPVBQESA-N 1 0 227.308 0.094 20 30 BCEDRO C[C@@H]1[C@H](O)CC[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598619826 349001964 /nfs/dbraw/zinc/00/19/64/349001964.db2.gz HOOIEHBHZVZISP-GMTAPVOTSA-N 1 0 226.320 0.742 20 30 BCEDRO CCC[N@@H+](CC(N)=O)C[C@H](O)CC(C)(C)C#N ZINC000598619062 349002168 /nfs/dbraw/zinc/00/21/68/349002168.db2.gz UZYVYNZRWYXILN-SNVBAGLBSA-N 1 0 241.335 0.484 20 30 BCEDRO CC[C@@H]1CN(C(=O)CSCC#N)C[C@H](C)[NH2+]1 ZINC000598536760 348991558 /nfs/dbraw/zinc/99/15/58/348991558.db2.gz WCWWQVOFPNPKPL-VHSXEESVSA-N 1 0 241.360 0.842 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000669128829 490215386 /nfs/dbraw/zinc/21/53/86/490215386.db2.gz OFOWBYNMLKRAKV-MXWKQRLJSA-N 1 0 226.320 0.474 20 30 BCEDRO CCN1CC[NH+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598586176 348994765 /nfs/dbraw/zinc/99/47/65/348994765.db2.gz FAESQOOXGAJXLH-GFCCVEGCSA-N 1 0 239.363 0.925 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000598586979 348996053 /nfs/dbraw/zinc/99/60/53/348996053.db2.gz MKMQXVPKKXTKJY-MNOVXSKESA-N 1 0 226.320 0.744 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H]1CO ZINC000598589517 348996652 /nfs/dbraw/zinc/99/66/52/348996652.db2.gz JHOYEIUHDFUJOP-MNOVXSKESA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@@H]1C[C@H](O)C[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598620884 349003073 /nfs/dbraw/zinc/00/30/73/349003073.db2.gz PBKAPJUUYRMWTF-GRYCIOLGSA-N 1 0 240.347 0.990 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000598614573 349000284 /nfs/dbraw/zinc/00/02/84/349000284.db2.gz LPODDJNBYSSMJP-ZYHUDNBSSA-N 1 0 244.310 0.693 20 30 BCEDRO C[N@H+](CCCO)C[C@H](O)CC(C)(C)C#N ZINC000598614016 349000450 /nfs/dbraw/zinc/00/04/50/349000450.db2.gz AGGXTAGSJREWFR-SNVBAGLBSA-N 1 0 214.309 0.601 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000598614572 349000819 /nfs/dbraw/zinc/00/08/19/349000819.db2.gz LPODDJNBYSSMJP-PWSUYJOCSA-N 1 0 244.310 0.693 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000598624419 349003424 /nfs/dbraw/zinc/00/34/24/349003424.db2.gz HCEXJXSJPSWOKF-VIFPVBQESA-N 1 0 239.319 0.094 20 30 BCEDRO CC(C)[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598604298 349006240 /nfs/dbraw/zinc/00/62/40/349006240.db2.gz QHIPQRICTPYNFM-GHMZBOCLSA-N 1 0 228.336 0.894 20 30 BCEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1(CO)CC1 ZINC000598608461 349006872 /nfs/dbraw/zinc/00/68/72/349006872.db2.gz SFNAAJHIGDZFEI-NSHDSACASA-N 1 0 240.347 0.991 20 30 BCEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)CC1(CO)CC1 ZINC000598608459 349007024 /nfs/dbraw/zinc/00/70/24/349007024.db2.gz SFNAAJHIGDZFEI-LLVKDONJSA-N 1 0 240.347 0.991 20 30 BCEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CO ZINC000598607046 349007097 /nfs/dbraw/zinc/00/70/97/349007097.db2.gz LGNKXWXZJHQEFU-IJLUTSLNSA-N 1 0 240.347 0.990 20 30 BCEDRO COCCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598703888 349022615 /nfs/dbraw/zinc/02/26/15/349022615.db2.gz JWADKRDYOUQTKD-SNVBAGLBSA-N 1 0 214.309 0.913 20 30 BCEDRO CNC(=O)CCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598721243 349027865 /nfs/dbraw/zinc/02/78/65/349027865.db2.gz UDWSGLBMOJMMOZ-JTQLQIEISA-N 1 0 241.335 0.403 20 30 BCEDRO C[C@@H](CN(C)C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598727838 349030459 /nfs/dbraw/zinc/03/04/59/349030459.db2.gz JZSXPNXLBSSDJD-QWRGUYRKSA-N 1 0 227.352 0.827 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1C[C@H](O)C1 ZINC000598729230 349031193 /nfs/dbraw/zinc/03/11/93/349031193.db2.gz HLOKXCWOMDKUJH-OPRDCNLKSA-N 1 0 212.293 0.400 20 30 BCEDRO COC[C@@H](CCO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598729210 349031368 /nfs/dbraw/zinc/03/13/68/349031368.db2.gz HLIBAEDFRAIOEN-GHMZBOCLSA-N 1 0 244.335 0.274 20 30 BCEDRO COCC(COC)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598728926 349031378 /nfs/dbraw/zinc/03/13/78/349031378.db2.gz XLCANIDQUNBSOJ-LLVKDONJSA-N 1 0 244.335 0.538 20 30 BCEDRO C[C@H](O)CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598729831 349031730 /nfs/dbraw/zinc/03/17/30/349031730.db2.gz NREQVJRULZBXOF-UWVGGRQHSA-N 1 0 214.309 0.648 20 30 BCEDRO COCCOCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598700137 349033751 /nfs/dbraw/zinc/03/37/51/349033751.db2.gz LGYIBLBULWAMQE-LLVKDONJSA-N 1 0 244.335 0.540 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000599069139 349087329 /nfs/dbraw/zinc/08/73/29/349087329.db2.gz AKZGILNGVXKTCI-NAKRPEOUSA-N 1 0 221.304 0.922 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000599075886 349088696 /nfs/dbraw/zinc/08/86/96/349088696.db2.gz AWUYRFVDMAJESL-UTUOFQBUSA-N 1 0 223.320 0.599 20 30 BCEDRO C[C@H](CNC(=O)Cc1ccc(C#N)nc1)[NH+](C)C ZINC000599045856 349088778 /nfs/dbraw/zinc/08/87/78/349088778.db2.gz KIZIZRXQIPRRFA-SNVBAGLBSA-N 1 0 246.314 0.562 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000599093276 349092224 /nfs/dbraw/zinc/09/22/24/349092224.db2.gz OIPFYQZLTIEGGD-SRVKXCTJSA-N 1 0 223.320 0.335 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000599079802 349095278 /nfs/dbraw/zinc/09/52/78/349095278.db2.gz PDIUDVPEGJCDIN-AVGNSLFASA-N 1 0 237.347 0.989 20 30 BCEDRO C[N@@H+]1CCCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC000599138071 349098172 /nfs/dbraw/zinc/09/81/72/349098172.db2.gz FMTRSABVHKMDPZ-NSHDSACASA-N 1 0 245.330 0.914 20 30 BCEDRO C[C@H](Cn1cccn1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599290610 349147912 /nfs/dbraw/zinc/14/79/12/349147912.db2.gz XKBDMISBINSRCF-VXGBXAGGSA-N 1 0 248.330 0.916 20 30 BCEDRO CC[C@@H]1CN(c2cc(C#N)cnn2)C[C@H](C)[NH2+]1 ZINC000599180681 349122131 /nfs/dbraw/zinc/12/21/31/349122131.db2.gz XLLSSEWMHXGDQS-GXSJLCMTSA-N 1 0 231.303 0.925 20 30 BCEDRO Cc1ccc(C[N@@H+]2C[C@H](O)C[C@H]2CO)cc1C#N ZINC000599339725 349151790 /nfs/dbraw/zinc/15/17/90/349151790.db2.gz RTPDXIQRNUVZAC-UONOGXRCSA-N 1 0 246.310 0.794 20 30 BCEDRO CC[NH+](CC)CCNC(=O)CSCC#N ZINC000041748354 323214971 /nfs/dbraw/zinc/21/49/71/323214971.db2.gz VARPKIYSUKOVSP-UHFFFAOYSA-N 1 0 229.349 0.701 20 30 BCEDRO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599356732 349159347 /nfs/dbraw/zinc/15/93/47/349159347.db2.gz FYUJGOFWGUJCBW-WDEREUQCSA-N 1 0 226.320 0.648 20 30 BCEDRO C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599362294 349159805 /nfs/dbraw/zinc/15/98/05/349159805.db2.gz JFLYJLHEVQMWKJ-VWYCJHECSA-N 1 0 226.320 0.648 20 30 BCEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)[C@H](C)CO ZINC000599362290 349159929 /nfs/dbraw/zinc/15/99/29/349159929.db2.gz JFLYJLHEVQMWKJ-GMTAPVOTSA-N 1 0 226.320 0.648 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000273418378 192391924 /nfs/dbraw/zinc/39/19/24/192391924.db2.gz RKZWBPBPEIOTJK-JTQLQIEISA-N 1 0 241.335 0.317 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000273533083 192394822 /nfs/dbraw/zinc/39/48/22/192394822.db2.gz WSQCABVTNJILNK-ZJUUUORDSA-N 1 0 212.293 0.134 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599437142 349176129 /nfs/dbraw/zinc/17/61/29/349176129.db2.gz FUMUDAZRIOJPSE-OUAUKWLOSA-N 1 0 240.303 0.045 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](C[C@](C)(O)C(=O)OC)C1 ZINC000599530386 349209177 /nfs/dbraw/zinc/20/91/77/349209177.db2.gz VUANZNZAQBHBIY-PWSUYJOCSA-N 1 0 227.304 0.808 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](C[C@](C)(O)C(=O)OC)C1 ZINC000599530385 349209267 /nfs/dbraw/zinc/20/92/67/349209267.db2.gz VUANZNZAQBHBIY-JQWIXIFHSA-N 1 0 227.304 0.808 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](C[C@@](C)(O)C(=O)OC)C1 ZINC000599530387 349209326 /nfs/dbraw/zinc/20/93/26/349209326.db2.gz VUANZNZAQBHBIY-ZYHUDNBSSA-N 1 0 227.304 0.808 20 30 BCEDRO C[C@@H](CCC#N)N1CCN(c2nccnn2)CC1 ZINC000599511079 349214441 /nfs/dbraw/zinc/21/44/41/349214441.db2.gz ATXOPUCZNXEWKV-NSHDSACASA-N 1 0 246.318 0.686 20 30 BCEDRO C=CCC[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599559463 349217504 /nfs/dbraw/zinc/21/75/04/349217504.db2.gz VUEPKYUOWCHJRU-LLVKDONJSA-N 1 0 213.277 0.826 20 30 BCEDRO C=CCC[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599559464 349218313 /nfs/dbraw/zinc/21/83/13/349218313.db2.gz VUEPKYUOWCHJRU-NSHDSACASA-N 1 0 213.277 0.826 20 30 BCEDRO COC(=O)[C@]1(OC)CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000599563534 349218709 /nfs/dbraw/zinc/21/87/09/349218709.db2.gz ILWWXKWXRBNRDS-JQWIXIFHSA-N 1 0 240.303 0.943 20 30 BCEDRO CC#CC[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599565715 349219787 /nfs/dbraw/zinc/21/97/87/349219787.db2.gz VVXZZWROPRHHID-LLVKDONJSA-N 1 0 211.261 0.274 20 30 BCEDRO N#CCCN1CCC([NH+]2CCOCC2)CC1 ZINC000599474396 349195202 /nfs/dbraw/zinc/19/52/02/349195202.db2.gz QMVGZMJPVHQOCF-UHFFFAOYSA-N 1 0 223.320 0.697 20 30 BCEDRO CN(CCOCC[NH3+])C(=O)NCC(C)(C)C#N ZINC000599916809 349270535 /nfs/dbraw/zinc/27/05/35/349270535.db2.gz FCBFJFDSTDTGFD-UHFFFAOYSA-N 1 0 242.323 0.153 20 30 BCEDRO N#CC1(CNC(=O)N[C@H]2CC[NH2+]C23CCC3)CC1 ZINC000599917647 349270610 /nfs/dbraw/zinc/27/06/10/349270610.db2.gz VUMYENRNLDTMMI-JTQLQIEISA-N 1 0 248.330 0.874 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCC#N ZINC000599917187 349270687 /nfs/dbraw/zinc/27/06/87/349270687.db2.gz GXSHTVNAFCMIRJ-VHSXEESVSA-N 1 0 224.308 0.730 20 30 BCEDRO C[C@@H]1CC[C@@H](NC(=O)NCC(C)(C)C#N)C[NH2+]1 ZINC000599916403 349270737 /nfs/dbraw/zinc/27/07/37/349270737.db2.gz BAWYFOHBMPVKFN-NXEZZACHSA-N 1 0 238.335 0.976 20 30 BCEDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCCC#N ZINC000599919381 349271182 /nfs/dbraw/zinc/27/11/82/349271182.db2.gz VDAHFYABRZKJOM-NSHDSACASA-N 1 0 238.335 0.930 20 30 BCEDRO CC(C)(C#N)CNC(=O)NCCOCCC[NH3+] ZINC000599918870 349271189 /nfs/dbraw/zinc/27/11/89/349271189.db2.gz RSQJXCGAWCHWSN-UHFFFAOYSA-N 1 0 242.323 0.201 20 30 BCEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000599919411 349271449 /nfs/dbraw/zinc/27/14/49/349271449.db2.gz GPHFPEMGROUCHF-GARJFASQSA-N 1 0 236.319 0.730 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000599942353 349273179 /nfs/dbraw/zinc/27/31/79/349273179.db2.gz ZRTBNORZARHSBH-VWYCJHECSA-N 1 0 238.335 0.928 20 30 BCEDRO C[N@H+](CCOCCC#N)[C@H]1CCC[C@@H]1O ZINC000339187027 490256272 /nfs/dbraw/zinc/25/62/72/490256272.db2.gz BSVNURKVWXVVIW-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO C[C@](O)(C[C@@H](O)C[NH2+]CC1(C#N)CC1)C1CC1 ZINC000601967643 349404881 /nfs/dbraw/zinc/40/48/81/349404881.db2.gz VRQDTVLXQAQSEY-NEPJUHHUSA-N 1 0 238.331 0.792 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000601968692 349405276 /nfs/dbraw/zinc/40/52/76/349405276.db2.gz MJWFVXWCYGKOOT-DCAQKATOSA-N 1 0 224.304 0.544 20 30 BCEDRO CC[C@@H]([NH2+]C)C(=O)N1CCN(CCC#N)CC1 ZINC000601850292 349366346 /nfs/dbraw/zinc/36/63/46/349366346.db2.gz COVJDLRQNZOVGO-LLVKDONJSA-N 1 0 238.335 0.042 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N(CC#N)C2CC2)C1 ZINC000602079928 349430369 /nfs/dbraw/zinc/43/03/69/349430369.db2.gz KFKDAZWSPDQKTP-JTQLQIEISA-N 1 0 221.304 0.843 20 30 BCEDRO CC1(C)CCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000086874284 190999545 /nfs/dbraw/zinc/99/95/45/190999545.db2.gz VCEHWCTXCIFSAQ-VIFPVBQESA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@@]1(CN2CCN(CCC#N)CC2)CC[NH2+]C1 ZINC000602023621 349419885 /nfs/dbraw/zinc/41/98/85/349419885.db2.gz YWCOANUJDHIXAX-CYBMUJFWSA-N 1 0 236.363 0.517 20 30 BCEDRO C=CCCCN1CCN(S(C)(=O)=O)CC1 ZINC000117871631 350221062 /nfs/dbraw/zinc/22/10/62/350221062.db2.gz IPBCJKUXMHHTFM-UHFFFAOYSA-N 1 0 232.349 0.530 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367774887 350237845 /nfs/dbraw/zinc/23/78/45/350237845.db2.gz ASEXHSNSUHVYHG-AAEUAGOBSA-N 1 0 235.331 0.745 20 30 BCEDRO C[C@]1(O)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000228060320 350239557 /nfs/dbraw/zinc/23/95/57/350239557.db2.gz QUGZNISBKDEICW-LBPRGKRZSA-N 1 0 217.272 0.910 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)COCCOC(C)C ZINC000078761543 166321875 /nfs/dbraw/zinc/32/18/75/166321875.db2.gz SLIIMKXYBPIQNV-LBPRGKRZSA-N 1 0 231.336 0.907 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@@]1(O)CCC[C@H]1C ZINC000262265111 535123559 /nfs/dbraw/zinc/12/35/59/535123559.db2.gz RRQBXKTVQJFVMB-KOLCDFICSA-N 1 0 213.325 0.850 20 30 BCEDRO CC#CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000365554613 350345871 /nfs/dbraw/zinc/34/58/71/350345871.db2.gz UAVPIQNBFCHRCQ-OLZOCXBDSA-N 1 0 222.332 0.541 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000225716381 350370658 /nfs/dbraw/zinc/37/06/58/350370658.db2.gz DQNQWOMLQFRTOR-VHSXEESVSA-N 1 0 240.303 0.172 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@]1(C#N)CC1(C)C ZINC000427881253 191098442 /nfs/dbraw/zinc/09/84/42/191098442.db2.gz HWIWUHJGRCICBD-GBIKHYSHSA-N 1 0 235.331 0.993 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)CCCSCC#N ZINC000336669439 350433204 /nfs/dbraw/zinc/43/32/04/350433204.db2.gz FNWPETFWFPEWAG-JTQLQIEISA-N 1 0 232.349 0.308 20 30 BCEDRO C=C(C)C[N@H+](CC)CCN1CCCS1(=O)=O ZINC000336676387 350438164 /nfs/dbraw/zinc/43/81/64/350438164.db2.gz NIOXOFSUJIFBQX-UHFFFAOYSA-N 1 0 246.376 0.920 20 30 BCEDRO CCN1CCO[C@H](C(=O)NC2(C#N)CCC2)C1 ZINC000365630853 350408002 /nfs/dbraw/zinc/40/80/02/350408002.db2.gz LHVYLKFBECOCMC-JTQLQIEISA-N 1 0 237.303 0.270 20 30 BCEDRO C=CCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000162695642 350413662 /nfs/dbraw/zinc/41/36/62/350413662.db2.gz BMCCWAHEBPXUGS-SNVBAGLBSA-N 1 0 211.309 0.766 20 30 BCEDRO CC#CC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000158444299 191101779 /nfs/dbraw/zinc/10/17/79/191101779.db2.gz KXINUXJKZILCGF-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO CC#CCC[N@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000336665606 350426929 /nfs/dbraw/zinc/42/69/29/350426929.db2.gz FQRRKWSOBQSACB-LLVKDONJSA-N 1 0 229.345 0.766 20 30 BCEDRO N#CCCN1CC[NH+](CC2CCOCC2)CC1 ZINC000336688355 350444241 /nfs/dbraw/zinc/44/42/41/350444241.db2.gz HCUMOPRIIJRUAN-UHFFFAOYSA-N 1 0 237.347 0.944 20 30 BCEDRO C=CCN(CCOC)[C@H]1CCN(C2CC2)C1=O ZINC000336691292 350447123 /nfs/dbraw/zinc/44/71/23/350447123.db2.gz FONGCZNNYYRPDE-LBPRGKRZSA-N 1 0 238.331 0.884 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1CN1CCN(CC#N)CC1 ZINC000336695893 350452047 /nfs/dbraw/zinc/45/20/47/350452047.db2.gz JPHQKBKSEXXNFZ-ZDUSSCGKSA-N 1 0 236.363 0.612 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000336703705 350454739 /nfs/dbraw/zinc/45/47/39/350454739.db2.gz MHEBYVSKTWEYRG-LLVKDONJSA-N 1 0 244.360 0.400 20 30 BCEDRO C[C@@H](C#N)CN(C[C@H](O)Cn1cccn1)C1CC1 ZINC000336702420 350458280 /nfs/dbraw/zinc/45/82/80/350458280.db2.gz GPOLBIKWDBQWMN-AAEUAGOBSA-N 1 0 248.330 0.868 20 30 BCEDRO C=CC[C@@H](C)NC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336719027 350473001 /nfs/dbraw/zinc/47/30/01/350473001.db2.gz QCCAXMYZHFYESB-MWLCHTKSSA-N 1 0 241.335 0.167 20 30 BCEDRO C=CCC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000336720188 350475730 /nfs/dbraw/zinc/47/57/30/350475730.db2.gz ZNFOVURJLOLOKK-UHFFFAOYSA-N 1 0 232.349 0.530 20 30 BCEDRO C[C@H](C#N)CN(CCN1CCNC1=O)C1CC1 ZINC000336727768 350484028 /nfs/dbraw/zinc/48/40/28/350484028.db2.gz WHPKDTBWLQLLCL-SNVBAGLBSA-N 1 0 236.319 0.636 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000159746098 490562878 /nfs/dbraw/zinc/56/28/78/490562878.db2.gz AEAFTWANLDSKLR-SRVKXCTJSA-N 1 0 240.347 0.770 20 30 BCEDRO CC[N@H+](CCCO)CCC(=O)N(C)CCC#N ZINC000163172854 350509086 /nfs/dbraw/zinc/50/90/86/350509086.db2.gz AROZLARZIZNERT-UHFFFAOYSA-N 1 0 241.335 0.453 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)C(C)C)C1=O ZINC000336747843 350497027 /nfs/dbraw/zinc/49/70/27/350497027.db2.gz SHHYFBFUOAEJPU-MNOVXSKESA-N 1 0 226.320 0.380 20 30 BCEDRO Cc1nn(C[C@@H]2CC[N@@H+](C)C2)c(=O)c(C#N)c1C ZINC000352900522 180390726 /nfs/dbraw/zinc/39/07/26/180390726.db2.gz JONQWUKVWMHLLT-LLVKDONJSA-N 1 0 246.314 0.684 20 30 BCEDRO Cc1nn(C[C@@H](O)C[N@@H+](C)C2CC2)cc1C#N ZINC000357456637 180390758 /nfs/dbraw/zinc/39/07/58/180390758.db2.gz SUFSKOCDHLUIBV-LBPRGKRZSA-N 1 0 234.303 0.518 20 30 BCEDRO Cc1nn(C[C@H]2CC[N@@H+](C)C2)c(=O)c(C#N)c1C ZINC000352900523 180391084 /nfs/dbraw/zinc/39/10/84/180391084.db2.gz JONQWUKVWMHLLT-NSHDSACASA-N 1 0 246.314 0.684 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC[C@H](F)C1 ZINC000577502734 365972078 /nfs/dbraw/zinc/97/20/78/365972078.db2.gz CWKAVVFPJSPGQZ-QJPTWQEYSA-N 1 0 243.326 0.673 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645878 350520994 /nfs/dbraw/zinc/52/09/94/350520994.db2.gz JCYJDPAFUUWIAM-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000337080947 350550251 /nfs/dbraw/zinc/55/02/51/350550251.db2.gz VZUXOGKJRZCOAM-GHMZBOCLSA-N 1 0 228.336 0.626 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CCO)CC2CC2)C1=O ZINC000337124355 350557981 /nfs/dbraw/zinc/55/79/81/350557981.db2.gz DDRTYKPKBCOSAF-LBPRGKRZSA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)CSC ZINC000577513690 365976392 /nfs/dbraw/zinc/97/63/92/365976392.db2.gz VKQZENWJSGWINE-VHSXEESVSA-N 1 0 219.350 0.627 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000304213765 350634489 /nfs/dbraw/zinc/63/44/89/350634489.db2.gz ISTBITUNRZAGOF-NEPJUHHUSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@](C)(O)C1 ZINC000177976203 166329361 /nfs/dbraw/zinc/32/93/61/166329361.db2.gz NKYVFFTWJMQZNN-ZDUSSCGKSA-N 1 0 238.331 0.644 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@H](COC)OC ZINC000233869883 350686587 /nfs/dbraw/zinc/68/65/87/350686587.db2.gz LXUURWVZFGKKAB-VHSXEESVSA-N 1 0 200.282 0.930 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617340322 350764478 /nfs/dbraw/zinc/76/44/78/350764478.db2.gz YUJDVUFYFZYHNP-MFKMUULPSA-N 1 0 240.347 0.912 20 30 BCEDRO C[C@H](C#N)C(=O)NCC1([NH+](C)C)CCC1 ZINC000097932545 350724949 /nfs/dbraw/zinc/72/49/49/350724949.db2.gz MTAHLECFCBAOON-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC#CC[N@@H+](C)CCOCC(=O)OCC ZINC000339755150 350818825 /nfs/dbraw/zinc/81/88/25/350818825.db2.gz AOHLZHOSVSKXMH-UHFFFAOYSA-N 1 0 213.277 0.521 20 30 BCEDRO Cc1nc(C(=O)N2CC[NH2+][C@@H](C)C2)ccc1C#N ZINC000563337460 350820554 /nfs/dbraw/zinc/82/05/54/350820554.db2.gz AJWMTIZNIBITFD-VIFPVBQESA-N 1 0 244.298 0.696 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](CC)CCO ZINC000155759704 166331318 /nfs/dbraw/zinc/33/13/18/166331318.db2.gz WZBACWZQVHKMIR-GFCCVEGCSA-N 1 0 240.347 0.890 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617342942 350772767 /nfs/dbraw/zinc/77/27/67/350772767.db2.gz ITSYMXDYOZECIG-ZJUUUORDSA-N 1 0 226.320 0.522 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+](CC2(CO)COC2)C1 ZINC000397582713 350931047 /nfs/dbraw/zinc/93/10/47/350931047.db2.gz GGXLEKJLQWINLS-LLVKDONJSA-N 1 0 224.304 0.621 20 30 BCEDRO C[NH2+]CCSCC(=O)N[C@@](C)(C#N)C(C)C ZINC000382644076 350935167 /nfs/dbraw/zinc/93/51/67/350935167.db2.gz HJYWQGXJKKAXTE-NSHDSACASA-N 1 0 243.376 0.993 20 30 BCEDRO COC[C@](C)(O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000382573287 350879533 /nfs/dbraw/zinc/87/95/33/350879533.db2.gz RRMVSXIUUMQIED-GFCCVEGCSA-N 1 0 237.303 0.384 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NCC#N)c1cccnc1 ZINC000035692115 358458799 /nfs/dbraw/zinc/45/87/99/358458799.db2.gz BTSWIOHRQWNKJK-SECBINFHSA-N 1 0 218.260 0.372 20 30 BCEDRO C[C@H](CC#N)NCCN1C(=O)CCC1=O ZINC000389870623 350949597 /nfs/dbraw/zinc/94/95/97/350949597.db2.gz JGBIPGUZWBYRRI-MRVPVSSYSA-N 1 0 209.249 0.027 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000397592757 350950481 /nfs/dbraw/zinc/95/04/81/350950481.db2.gz JGIYDFWYBTZVPS-MNOVXSKESA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000086271945 351052965 /nfs/dbraw/zinc/05/29/65/351052965.db2.gz MZONQZQEZNREGF-LPEHRKFASA-N 1 0 209.293 0.745 20 30 BCEDRO CCN(C[C@@H](C)C#N)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336704473 351069718 /nfs/dbraw/zinc/06/97/18/351069718.db2.gz KQORBTAQMWIAEW-WCQYABFASA-N 1 0 239.363 0.923 20 30 BCEDRO C[C@H](C#N)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000260172625 351072468 /nfs/dbraw/zinc/07/24/68/351072468.db2.gz UIMPWBAMQGSFLQ-ZJUUUORDSA-N 1 0 209.293 0.604 20 30 BCEDRO C[C@@H]([NH2+]Cc1cc(C#N)cs1)C(N)=O ZINC000086500161 351165588 /nfs/dbraw/zinc/16/55/88/351165588.db2.gz AJOODUTXKWVYTH-ZCFIWIBFSA-N 1 0 209.274 0.583 20 30 BCEDRO C[C@@H](CNc1nccc(C#N)n1)[NH+](C)C ZINC000231900009 351440845 /nfs/dbraw/zinc/44/08/45/351440845.db2.gz DEVSTODWTVZUEZ-QMMMGPOBSA-N 1 0 205.265 0.710 20 30 BCEDRO C[NH+](C)C[C@H]1CCCN1c1nccc(C#N)n1 ZINC000231900815 351449943 /nfs/dbraw/zinc/44/99/43/351449943.db2.gz BRXAYIKAZGBXNA-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO Cc1ccc(C#N)c(N2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000090322792 363038447 /nfs/dbraw/zinc/03/84/47/363038447.db2.gz ZBRSKCZRILNYRT-VXGBXAGGSA-N 1 0 228.299 0.917 20 30 BCEDRO CC1(C#N)CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000272488967 351480064 /nfs/dbraw/zinc/48/00/64/351480064.db2.gz BXMGKJVJJSFSSH-GFCCVEGCSA-N 1 0 248.330 0.870 20 30 BCEDRO CCNC(=[NH2+])NC[C@H](O)CCc1ccccc1 ZINC000273344205 351520397 /nfs/dbraw/zinc/52/03/97/351520397.db2.gz OAAXOAMCBRMPIP-GFCCVEGCSA-N 1 0 235.331 0.904 20 30 BCEDRO CN(C)c1cc[nH+]cc1C(=O)N(C)CC#N ZINC000273568094 351536079 /nfs/dbraw/zinc/53/60/79/351536079.db2.gz YSPLWALRZMPUJS-UHFFFAOYSA-N 1 0 218.260 0.743 20 30 BCEDRO CN(C(=[NH2+])NCc1cccnc1)C1CC1 ZINC000273323127 351517962 /nfs/dbraw/zinc/51/79/62/351517962.db2.gz GRQMFHKPGJTMOG-UHFFFAOYSA-N 1 0 204.277 0.991 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000577633772 366026441 /nfs/dbraw/zinc/02/64/41/366026441.db2.gz XWLMSSOAPOTLGD-NXEZZACHSA-N 1 0 235.349 0.336 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCCCC[NH+](C)C ZINC000041680606 351560239 /nfs/dbraw/zinc/56/02/39/351560239.db2.gz CUCFYQVUMGIZDO-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ccc(C(N)=O)cn1 ZINC000292678315 351625840 /nfs/dbraw/zinc/62/58/40/351625840.db2.gz DMDYXWFNAHGQKR-UHFFFAOYSA-N 1 0 246.314 0.548 20 30 BCEDRO CC#CCCNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000577767258 366057282 /nfs/dbraw/zinc/05/72/82/366057282.db2.gz WTSYVEMSVIWIBJ-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C=CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000637871791 351733738 /nfs/dbraw/zinc/73/37/38/351733738.db2.gz SNMPKBDNCCFDAK-ZDUSSCGKSA-N 1 0 247.342 0.748 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000577750486 366053460 /nfs/dbraw/zinc/05/34/60/366053460.db2.gz HXLCNBKROOXPMX-IUCAKERBSA-N 1 0 220.338 0.608 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000577756925 366054586 /nfs/dbraw/zinc/05/45/86/366054586.db2.gz CXDLQPXONUQGQG-VHSXEESVSA-N 1 0 224.308 0.682 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000577756926 366054916 /nfs/dbraw/zinc/05/49/16/366054916.db2.gz CXDLQPXONUQGQG-ZJUUUORDSA-N 1 0 224.308 0.682 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@@H](C)C#N)C1 ZINC000088476853 351804020 /nfs/dbraw/zinc/80/40/20/351804020.db2.gz ABOVDSSCWIIVIH-VHSXEESVSA-N 1 0 245.348 0.302 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000280356936 351840996 /nfs/dbraw/zinc/84/09/96/351840996.db2.gz VBSHRVUIZYHXRK-GXSJLCMTSA-N 1 0 206.289 0.751 20 30 BCEDRO C=C[C@@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638004251 351879215 /nfs/dbraw/zinc/87/92/15/351879215.db2.gz XEDWLBWKCXFKMJ-MWLCHTKSSA-N 1 0 212.293 0.433 20 30 BCEDRO C=C[C@@H](C)NC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638003759 351882958 /nfs/dbraw/zinc/88/29/58/351882958.db2.gz SMZRCSRTBWDARO-PWSUYJOCSA-N 1 0 226.320 0.836 20 30 BCEDRO N#CCCCC[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000280935546 351867094 /nfs/dbraw/zinc/86/70/94/351867094.db2.gz HLOGLXXOVASFHF-UHFFFAOYSA-N 1 0 249.318 0.971 20 30 BCEDRO C=CC1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000637994938 351873297 /nfs/dbraw/zinc/87/32/97/351873297.db2.gz YWNJXXNGQMHBQJ-ZDUSSCGKSA-N 1 0 238.331 0.790 20 30 BCEDRO C#C[C@@H](NC(=[NH2+])N[C@@H](C)COC)C(C)C ZINC000281100827 351875721 /nfs/dbraw/zinc/87/57/21/351875721.db2.gz WFXUVMKQOSWGLI-VHSXEESVSA-N 1 0 211.309 0.583 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)CC)C1=O ZINC000281171812 351877855 /nfs/dbraw/zinc/87/78/55/351877855.db2.gz AHOSVSNOSHAYPK-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@](C)(O)C2)C1=O ZINC000282078973 351922502 /nfs/dbraw/zinc/92/25/02/351922502.db2.gz UHQBEMOCAHVQGM-CMPLNLGQSA-N 1 0 224.304 0.230 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H]1CCC[N@H+]1C ZINC000282075021 351922645 /nfs/dbraw/zinc/92/26/45/351922645.db2.gz TVYNPEBFVUKOTR-SNVBAGLBSA-N 1 0 205.261 0.066 20 30 BCEDRO CC[C@H](C#N)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000340136689 351928229 /nfs/dbraw/zinc/92/82/29/351928229.db2.gz AKRJTZXHCOFAEL-ZJUUUORDSA-N 1 0 211.309 0.991 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCC(=O)NC2)C1 ZINC000336733948 351883674 /nfs/dbraw/zinc/88/36/74/351883674.db2.gz MSWCIGOOOOZMSC-OPRDCNLKSA-N 1 0 207.277 0.547 20 30 BCEDRO C#CCN(CC#N)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000281488180 351894148 /nfs/dbraw/zinc/89/41/48/351894148.db2.gz IHXXPTHXHBBNLC-UHFFFAOYSA-N 1 0 245.326 0.846 20 30 BCEDRO C=C[C@H](CO)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336734858 351899027 /nfs/dbraw/zinc/89/90/27/351899027.db2.gz NPQHSVVZHWVYKZ-UTUOFQBUSA-N 1 0 210.321 0.750 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000281925878 351917046 /nfs/dbraw/zinc/91/70/46/351917046.db2.gz HRJRVAHNZOTHHY-GFCCVEGCSA-N 1 0 231.299 0.599 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H](O)Cc2ccccc2)N1 ZINC000285080410 352020701 /nfs/dbraw/zinc/02/07/01/352020701.db2.gz NEFAOGYQSVCOCY-JQWIXIFHSA-N 1 0 233.315 0.527 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)CC(=O)NC ZINC000273467369 187575810 /nfs/dbraw/zinc/57/58/10/187575810.db2.gz RIUNZXBSXJGELD-RKDXNWHRSA-N 1 0 200.282 0.038 20 30 BCEDRO C=CCCCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274808565 187577169 /nfs/dbraw/zinc/57/71/69/187577169.db2.gz QHWDZUJNRVEIIU-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO C#C[C@@H](NC(=[NH2+])N[C@H](C)COC)C(C)(C)C ZINC000287313116 352121220 /nfs/dbraw/zinc/12/12/20/352121220.db2.gz UPYAQIPGJMQTFF-NXEZZACHSA-N 1 0 225.336 0.974 20 30 BCEDRO C=CCN(C)C(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638220855 352080016 /nfs/dbraw/zinc/08/00/16/352080016.db2.gz BHNDCXYBOVJEOR-MWLCHTKSSA-N 1 0 212.293 0.398 20 30 BCEDRO CCCCNC(=[NH2+])NCc1cnnn1C ZINC000286975901 352109314 /nfs/dbraw/zinc/10/93/14/352109314.db2.gz CHZFJSUGHGVGCD-UHFFFAOYSA-N 1 0 210.285 0.020 20 30 BCEDRO C=CCCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627023594 363118542 /nfs/dbraw/zinc/11/85/42/363118542.db2.gz YWIGSTANBGNMCP-JTQLQIEISA-N 1 0 227.308 0.240 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)N(C)CCOCC[NH3+] ZINC000627027094 363119680 /nfs/dbraw/zinc/11/96/80/363119680.db2.gz IPPIFZIBMSXDBS-LLVKDONJSA-N 1 0 243.351 0.958 20 30 BCEDRO C=CCCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638405189 352212176 /nfs/dbraw/zinc/21/21/76/352212176.db2.gz APLJHXYAAPEQTL-KOLCDFICSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CC[C@H](CC)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627027105 363121003 /nfs/dbraw/zinc/12/10/03/363121003.db2.gz IXLVNYGKCGOHDR-QWRGUYRKSA-N 1 0 241.335 0.629 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000613350445 363133668 /nfs/dbraw/zinc/13/36/68/363133668.db2.gz ITKOTAFDFPRMJE-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO N#Cc1cncnc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000304466661 363152709 /nfs/dbraw/zinc/15/27/09/363152709.db2.gz FWCOGNRDBCEYPV-UWVGGRQHSA-N 1 0 215.260 0.004 20 30 BCEDRO C=CCNC(=[NH2+])NCCNC(=O)[C@@H](C)CCC ZINC000292386896 352318490 /nfs/dbraw/zinc/31/84/90/352318490.db2.gz VEFVPQAPIHNVNF-JTQLQIEISA-N 1 0 240.351 0.629 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638474510 352284059 /nfs/dbraw/zinc/28/40/59/352284059.db2.gz NPOBAJCZOWICKI-GFCCVEGCSA-N 1 0 237.347 0.316 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)CN2CC[NH2+]CC2)C1 ZINC000638474511 352284100 /nfs/dbraw/zinc/28/41/00/352284100.db2.gz NPOBAJCZOWICKI-LBPRGKRZSA-N 1 0 237.347 0.316 20 30 BCEDRO C=CCN(C)CC[N@@H+](CC)C[C@@H](C)O ZINC000411649645 191202046 /nfs/dbraw/zinc/20/20/46/191202046.db2.gz RURWEELGRVSIQY-LLVKDONJSA-N 1 0 200.326 0.807 20 30 BCEDRO C=CCN(C)CC[N@@H+](CC)C[C@H](C)O ZINC000411649646 191202427 /nfs/dbraw/zinc/20/24/27/191202427.db2.gz RURWEELGRVSIQY-NSHDSACASA-N 1 0 200.326 0.807 20 30 BCEDRO C=CCN(C)CC[N@@H+](CC)C[C@@](C)(O)C(C)=O ZINC000411649563 191203171 /nfs/dbraw/zinc/20/31/71/191203171.db2.gz RNRDTPBLOASOQP-CYBMUJFWSA-N 1 0 242.363 0.766 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000044825951 352442298 /nfs/dbraw/zinc/44/22/98/352442298.db2.gz MKJHZAMBASNTSW-VHSXEESVSA-N 1 0 211.309 0.993 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000044823680 352435399 /nfs/dbraw/zinc/43/53/99/352435399.db2.gz AJBQRXXPGWMKRP-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO CC[C@@H](C#N)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000044825531 352442616 /nfs/dbraw/zinc/44/26/16/352442616.db2.gz AOUJYSMZYCDANC-QWRGUYRKSA-N 1 0 239.319 0.373 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638648841 352491785 /nfs/dbraw/zinc/49/17/85/352491785.db2.gz OPUNRNCZPVFQAY-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO CC[C@@H](CC#N)[NH2+][C@H]1CCN(CCOC)C1 ZINC000336744392 352695036 /nfs/dbraw/zinc/69/50/36/352695036.db2.gz UVGQNGCMVXFGMJ-RYUDHWBXSA-N 1 0 225.336 0.989 20 30 BCEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000336744393 352695885 /nfs/dbraw/zinc/69/58/85/352695885.db2.gz UVGQNGCMVXFGMJ-VXGBXAGGSA-N 1 0 225.336 0.989 20 30 BCEDRO CCN(C)C(=O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336746268 352737700 /nfs/dbraw/zinc/73/77/00/352737700.db2.gz BBRLHRANGQCPIP-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCN1CCN([C@H](CC)C(=O)OC)CC1 ZINC000352659785 166356440 /nfs/dbraw/zinc/35/64/40/166356440.db2.gz LJIGLMBEOSDZQY-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCOCCC[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412088739 191255544 /nfs/dbraw/zinc/25/55/44/191255544.db2.gz OMTOKFWZRPAUAA-VXGBXAGGSA-N 1 0 229.320 0.661 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000342877750 352885393 /nfs/dbraw/zinc/88/53/93/352885393.db2.gz XLEVCLNLTWROGD-OUAUKWLOSA-N 1 0 223.320 0.945 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)NCCC[NH3+])C1 ZINC000627067518 363198948 /nfs/dbraw/zinc/19/89/48/363198948.db2.gz AOIWJADEMLTNIS-JTQLQIEISA-N 1 0 211.309 0.943 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCOC1 ZINC000178356156 166364476 /nfs/dbraw/zinc/36/44/76/166364476.db2.gz WYFYIKSBPRUBHN-JTQLQIEISA-N 1 0 212.293 0.257 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1ncnn1C ZINC000638828469 353008044 /nfs/dbraw/zinc/00/80/44/353008044.db2.gz CPIYZPNQNATKKT-SECBINFHSA-N 1 0 210.281 0.089 20 30 BCEDRO C=CCCC(C)(C)CNC(=O)C1(O)C[NH2+]C1 ZINC000638864878 353038503 /nfs/dbraw/zinc/03/85/03/353038503.db2.gz CVMGOHMKHKKVMF-UHFFFAOYSA-N 1 0 226.320 0.429 20 30 BCEDRO C=CCCC(C)(C)CNC(=O)CNC(=O)C[NH3+] ZINC000638874618 353045204 /nfs/dbraw/zinc/04/52/04/353045204.db2.gz IJBGSYOPVNMEME-UHFFFAOYSA-N 1 0 241.335 0.170 20 30 BCEDRO N#CCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000048995710 187981313 /nfs/dbraw/zinc/98/13/13/187981313.db2.gz VBRWKDCRWZBSFU-UHFFFAOYSA-N 1 0 207.277 0.454 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)NCC[NH2+]C)C1 ZINC000627072147 363203054 /nfs/dbraw/zinc/20/30/54/363203054.db2.gz PBKDVUWMBVKLGY-SNVBAGLBSA-N 1 0 211.309 0.813 20 30 BCEDRO N#Cc1ncn(CC[NH2+]C[C@H]2CCC=CO2)n1 ZINC000289614923 188035824 /nfs/dbraw/zinc/03/58/24/188035824.db2.gz LJRWEPFYGPGQRW-SNVBAGLBSA-N 1 0 233.275 0.432 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000072015383 188047313 /nfs/dbraw/zinc/04/73/13/188047313.db2.gz WNKQYASUMHTZRY-UHFFFAOYSA-N 1 0 210.277 0.351 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1CN(C)C[C@H]1C ZINC000336760261 353171346 /nfs/dbraw/zinc/17/13/46/353171346.db2.gz MCJQESIHSLUBKM-WOPDTQHZSA-N 1 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BCEDRO C=C[C@](C)(O)CC(=O)N[C@H]1CC[C@H]([NH+](C)C)C1 ZINC000330892160 353199628 /nfs/dbraw/zinc/19/96/28/353199628.db2.gz DAFKUQQYFHMYHD-GVXVVHGQSA-N 1 0 240.347 0.912 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000330941231 353202094 /nfs/dbraw/zinc/20/20/94/353202094.db2.gz FNIQACASHMENOQ-LBPRGKRZSA-N 1 0 248.330 0.832 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@H+](CCc2ccccn2)C1 ZINC000330941230 353202315 /nfs/dbraw/zinc/20/23/15/353202315.db2.gz FNIQACASHMENOQ-GFCCVEGCSA-N 1 0 248.330 0.832 20 30 BCEDRO CCOC(=O)CC[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330960822 353204644 /nfs/dbraw/zinc/20/46/44/353204644.db2.gz XVGVBGLJBYXNKJ-VIFPVBQESA-N 1 0 243.307 0.147 20 30 BCEDRO N#CCc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000331019807 353207805 /nfs/dbraw/zinc/20/78/05/353207805.db2.gz RASZCOGTHCXROU-KBPBESRZSA-N 1 0 246.310 0.680 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@]1(C)CO ZINC000331024346 353208056 /nfs/dbraw/zinc/20/80/56/353208056.db2.gz UZWGKEWDDWUWSE-GMXVVIOVSA-N 1 0 240.347 0.818 20 30 BCEDRO CC[N@H+](CCCCC#N)[C@H]1CCNC1=O ZINC000331280594 353234025 /nfs/dbraw/zinc/23/40/25/353234025.db2.gz FJJDTIKAXKBZKC-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000331145962 353222468 /nfs/dbraw/zinc/22/24/68/353222468.db2.gz MHEHYZHTWJYTSM-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000627073046 363210315 /nfs/dbraw/zinc/21/03/15/363210315.db2.gz FUXSPTLGZIZVEJ-QWRGUYRKSA-N 1 0 223.320 0.956 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCC(F)F)CC1 ZINC000073157069 353281634 /nfs/dbraw/zinc/28/16/34/353281634.db2.gz LWDFQFHSVBHHIU-UHFFFAOYSA-N 1 0 230.258 0.713 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000251742389 353287961 /nfs/dbraw/zinc/28/79/61/353287961.db2.gz KXLFIZWVBNYRGT-OUAUKWLOSA-N 1 0 225.336 0.346 20 30 BCEDRO C=C(C)CC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000274825894 188264317 /nfs/dbraw/zinc/26/43/17/188264317.db2.gz KXUPBRXVLBYMQR-UHFFFAOYSA-N 1 0 237.303 0.627 20 30 BCEDRO C=C(C)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274867084 188264978 /nfs/dbraw/zinc/26/49/78/188264978.db2.gz CVOBGPCGTPKNGR-UHFFFAOYSA-N 1 0 205.261 0.704 20 30 BCEDRO C=C(C)CC[N@@H+]1CCSC[C@H]1C(N)=O ZINC000274875628 188265173 /nfs/dbraw/zinc/26/51/73/188265173.db2.gz YLAXWDBFLCTHKQ-VIFPVBQESA-N 1 0 214.334 0.855 20 30 BCEDRO C=C(C)CC[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000275679315 188265555 /nfs/dbraw/zinc/26/55/55/188265555.db2.gz ZSLJWEHLJTVNNC-GHMZBOCLSA-N 1 0 227.304 0.951 20 30 BCEDRO CC(=O)NC1CN(Cc2cccc(C#N)c2)C1 ZINC000291476307 188268290 /nfs/dbraw/zinc/26/82/90/188268290.db2.gz QAINELMKLKWFMA-UHFFFAOYSA-N 1 0 229.283 0.879 20 30 BCEDRO CN(C)C[C@H](O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336769776 353297856 /nfs/dbraw/zinc/29/78/56/353297856.db2.gz VCGRKZVUDLZMHP-GARJFASQSA-N 1 0 211.309 0.191 20 30 BCEDRO C=CCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073999130 353298992 /nfs/dbraw/zinc/29/89/92/353298992.db2.gz VTHJXAJVGDGHPV-UHFFFAOYSA-N 1 0 241.335 0.582 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000052092945 188299857 /nfs/dbraw/zinc/29/98/57/188299857.db2.gz FJUAINQUODMPRY-LLVKDONJSA-N 1 0 215.256 0.650 20 30 BCEDRO C#CC[NH+]1CCC2(C[C@H]2C(=O)OC)CC1 ZINC000265063986 188259930 /nfs/dbraw/zinc/25/99/30/188259930.db2.gz NQJVKDLEMNDRSN-JTQLQIEISA-N 1 0 207.273 0.895 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000135464768 538115285 /nfs/dbraw/zinc/11/52/85/538115285.db2.gz BGIFOBJBTIWFEE-GFCCVEGCSA-N 1 0 235.331 0.793 20 30 BCEDRO N#Cc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000086331238 188318419 /nfs/dbraw/zinc/31/84/19/188318419.db2.gz IZFHPAIZOMSGFX-TXEJJXNPSA-N 1 0 218.256 0.096 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639044403 353329154 /nfs/dbraw/zinc/32/91/54/353329154.db2.gz LWMBRCGPBUZBLR-IJLUTSLNSA-N 1 0 240.347 0.960 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCSC[C@H](C)C1 ZINC000190451276 353394929 /nfs/dbraw/zinc/39/49/29/353394929.db2.gz XUNSXRJVVYGZTM-MNOVXSKESA-N 1 0 240.372 0.809 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)NCC)CC1 ZINC000132404794 353379926 /nfs/dbraw/zinc/37/99/26/353379926.db2.gz NPXNDVRIAXDIDX-UHFFFAOYSA-N 1 0 211.309 0.910 20 30 BCEDRO N#Cc1cncnc1NCC[NH+]1CCCC1 ZINC000304509107 363222107 /nfs/dbraw/zinc/22/21/07/363222107.db2.gz YTEFGXRZWSJMRP-UHFFFAOYSA-N 1 0 217.276 0.856 20 30 BCEDRO CNC(=O)CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232315048 188363728 /nfs/dbraw/zinc/36/37/28/188363728.db2.gz AEPPUXTWWMYQFC-UHFFFAOYSA-N 1 0 220.276 0.122 20 30 BCEDRO Cc1cc(C(=O)NC[C@H](C)[NH+](C)C)ncc1C#N ZINC000412392475 191278217 /nfs/dbraw/zinc/27/82/17/191278217.db2.gz DFDRPSKNRXTXIP-JTQLQIEISA-N 1 0 246.314 0.942 20 30 BCEDRO Cn1ccnc1N1CCN(CC2(C#N)CC2)CC1 ZINC000343296905 353417207 /nfs/dbraw/zinc/41/72/07/353417207.db2.gz AABUHKJIVLVNRR-UHFFFAOYSA-N 1 0 245.330 0.846 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281303671 353440943 /nfs/dbraw/zinc/44/09/43/353440943.db2.gz KAUDANQIFILIHQ-ZJUUUORDSA-N 1 0 208.261 0.440 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)CCCO)C1=O ZINC000281399384 353446205 /nfs/dbraw/zinc/44/62/05/353446205.db2.gz QKVDONGXUCUGAP-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO C=CCNC(=O)CN1CCCC2(C1)OCCO2 ZINC000134107957 353457424 /nfs/dbraw/zinc/45/74/24/353457424.db2.gz UDIDFWCIXHLZKG-UHFFFAOYSA-N 1 0 240.303 0.128 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)CC[C@H](C)O)C1=O ZINC000281136304 353430566 /nfs/dbraw/zinc/43/05/66/353430566.db2.gz AEFNQPCNQQJHGA-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CCC[N@@H+](C)CC1 ZINC000281201215 353437903 /nfs/dbraw/zinc/43/79/03/353437903.db2.gz PUSLLJFVPNGIJT-GFCCVEGCSA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CC)CCO)C1=O ZINC000282112520 353463367 /nfs/dbraw/zinc/46/33/67/353463367.db2.gz XCAVRJUVGPSMBS-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CC)CCOC)C1=O ZINC000282113067 353463624 /nfs/dbraw/zinc/46/36/24/353463624.db2.gz XEPRTOCXWCFKSF-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](O)C2)C1=O ZINC000281910242 353467466 /nfs/dbraw/zinc/46/74/66/353467466.db2.gz GKMJDKGAZIRLRG-GHMZBOCLSA-N 1 0 224.304 0.230 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](O)C2)C1=O ZINC000281910253 353468172 /nfs/dbraw/zinc/46/81/72/353468172.db2.gz GKMJDKGAZIRLRG-WDEREUQCSA-N 1 0 224.304 0.230 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000282320570 353473956 /nfs/dbraw/zinc/47/39/56/353473956.db2.gz LAHAJQXCGHNHEI-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO CCN(CCO)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336776718 353480791 /nfs/dbraw/zinc/48/07/91/353480791.db2.gz GLDYMLILHFOELE-NEPJUHHUSA-N 1 0 225.336 0.582 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284468014 353513298 /nfs/dbraw/zinc/51/32/98/353513298.db2.gz DMCDAPHSVMKUCT-LBPRGKRZSA-N 1 0 234.303 0.128 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)CO)C1=O ZINC000284910723 353517423 /nfs/dbraw/zinc/51/74/23/353517423.db2.gz VGSOXLLRVULFDF-NXEZZACHSA-N 1 0 212.293 0.086 20 30 BCEDRO CN(C)C[C@@](C)(C#N)NC(=O)c1ccccn1 ZINC000563809408 353535746 /nfs/dbraw/zinc/53/57/46/353535746.db2.gz OPNNCZHIBHVLPS-GFCCVEGCSA-N 1 0 232.287 0.655 20 30 BCEDRO C#CC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000192237128 353538389 /nfs/dbraw/zinc/53/83/89/353538389.db2.gz VLLHGEOPLQIBOS-UHFFFAOYSA-N 1 0 235.243 0.322 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCC1CC1 ZINC000135258171 353539259 /nfs/dbraw/zinc/53/92/59/353539259.db2.gz JGQVMUVOZBUQHF-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCCCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000192189269 353546426 /nfs/dbraw/zinc/54/64/26/353546426.db2.gz IXTOWYJBFBZDFY-LBPRGKRZSA-N 1 0 226.320 0.219 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CS(=O)(=O)CC ZINC000336777402 353496018 /nfs/dbraw/zinc/49/60/18/353496018.db2.gz IIYZMDVTTYXTMU-MNOVXSKESA-N 1 0 249.376 0.584 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCS[C@@H](C)CC1 ZINC000192183417 353547403 /nfs/dbraw/zinc/54/74/03/353547403.db2.gz RGMHJKXQVRYUBF-QWRGUYRKSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CC[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000287456571 353583566 /nfs/dbraw/zinc/58/35/66/353583566.db2.gz QYAHGIVSCUJQRN-NSHDSACASA-N 1 0 206.289 0.564 20 30 BCEDRO C=CCNC(=O)CN1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000063195883 353589586 /nfs/dbraw/zinc/58/95/86/353589586.db2.gz XLGGKKBFDSIDDV-MNOVXSKESA-N 1 0 225.336 0.490 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000491813966 324162125 /nfs/dbraw/zinc/16/21/25/324162125.db2.gz LTKOHBYAVYMMGX-SRVKXCTJSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)CF)CC1 ZINC000288419658 353599449 /nfs/dbraw/zinc/59/94/49/353599449.db2.gz XHYJOKYWGHXUPV-SNVBAGLBSA-N 1 0 226.295 0.806 20 30 BCEDRO C=CCN(C)C(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000286031331 353555780 /nfs/dbraw/zinc/55/57/80/353555780.db2.gz KHYHTFWOMUQFSG-VIFPVBQESA-N 1 0 234.303 0.745 20 30 BCEDRO C[C@@H](C#N)NC(=O)c1c[nH+]ccc1N(C)C ZINC000183541648 353560858 /nfs/dbraw/zinc/56/08/58/353560858.db2.gz UMIFGUVMHOQGEM-QMMMGPOBSA-N 1 0 218.260 0.789 20 30 BCEDRO C#CCNC(=O)[C@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000289426054 353628584 /nfs/dbraw/zinc/62/85/84/353628584.db2.gz WXPLKEYFRVCQDM-LBPRGKRZSA-N 1 0 226.295 0.948 20 30 BCEDRO C=CCN(CC(F)(F)F)C(=O)[C@@H](C[NH3+])OC ZINC000289900136 353641531 /nfs/dbraw/zinc/64/15/31/353641531.db2.gz JBHWGRHAKPQXBN-SSDOTTSWSA-N 1 0 240.225 0.537 20 30 BCEDRO C=CCN(CC(F)(F)F)C(=O)[C@H](C[NH3+])OC ZINC000289900138 353641679 /nfs/dbraw/zinc/64/16/79/353641679.db2.gz JBHWGRHAKPQXBN-ZETCQYMHSA-N 1 0 240.225 0.537 20 30 BCEDRO C=C[C@@H](CO)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000289984682 353645413 /nfs/dbraw/zinc/64/54/13/353645413.db2.gz YBEDPGNIBFJCCL-JTQLQIEISA-N 1 0 242.319 0.744 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC[N@H+]1CC=CCC1 ZINC000290327619 353653748 /nfs/dbraw/zinc/65/37/48/353653748.db2.gz APRPQOMXWABVRA-ZDUSSCGKSA-N 1 0 238.331 0.692 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000288814337 353607372 /nfs/dbraw/zinc/60/73/72/353607372.db2.gz SVAHMSIMZKACIS-RKDXNWHRSA-N 1 0 228.292 0.348 20 30 BCEDRO C=CCCCC(=O)NCC[N@H+](CC)CCO ZINC000184004883 353608270 /nfs/dbraw/zinc/60/82/70/353608270.db2.gz NSPCVAJNWHDTPL-UHFFFAOYSA-N 1 0 228.336 0.773 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000290449633 353664129 /nfs/dbraw/zinc/66/41/29/353664129.db2.gz BRSRFLDMHPPUMP-ZJUUUORDSA-N 1 0 214.309 0.236 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000290449630 353664596 /nfs/dbraw/zinc/66/45/96/353664596.db2.gz BRSRFLDMHPPUMP-VHSXEESVSA-N 1 0 214.309 0.236 20 30 BCEDRO CCO[C@@H]1C[C@@H](NC(N)=[NH2+])C12CCOCC2 ZINC000184594052 353684376 /nfs/dbraw/zinc/68/43/76/353684376.db2.gz ISEDTBXIIJKYRA-RKDXNWHRSA-N 1 0 227.308 0.234 20 30 BCEDRO CCO[C@H]1C[C@@H](NC(N)=[NH2+])C12CCOCC2 ZINC000184594070 353684534 /nfs/dbraw/zinc/68/45/34/353684534.db2.gz ISEDTBXIIJKYRA-BDAKNGLRSA-N 1 0 227.308 0.234 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)OC ZINC000291330757 353686833 /nfs/dbraw/zinc/68/68/33/353686833.db2.gz VTRAPONNHJWTPC-GHMZBOCLSA-N 1 0 226.320 0.481 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)CC ZINC000291351211 353687570 /nfs/dbraw/zinc/68/75/70/353687570.db2.gz RSZOQJXONKSAAI-NSHDSACASA-N 1 0 214.309 0.381 20 30 BCEDRO N#CC1(CN2CC[C@@H](C[NH+]3CCOCC3)C2)CC1 ZINC000343322698 353692553 /nfs/dbraw/zinc/69/25/53/353692553.db2.gz RYRQKQQQAZISFW-ZDUSSCGKSA-N 1 0 249.358 0.944 20 30 BCEDRO COCCN1CCC([NH2+]CCCC#N)CC1 ZINC000336781366 353655315 /nfs/dbraw/zinc/65/53/15/353655315.db2.gz UMMGRCOXTKSLRF-UHFFFAOYSA-N 1 0 225.336 0.991 20 30 BCEDRO CC#CC[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000291932394 353702435 /nfs/dbraw/zinc/70/24/35/353702435.db2.gz SYDLKAUHVKAOKF-UHFFFAOYSA-N 1 0 224.304 0.742 20 30 BCEDRO CC#CCNC(=O)NCC[NH+](CC)CC ZINC000292249040 353707704 /nfs/dbraw/zinc/70/77/04/353707704.db2.gz FPPUKEGCDWXYLS-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000292786141 353724701 /nfs/dbraw/zinc/72/47/01/353724701.db2.gz LCIHETDJIDCEMR-PHIMTYICSA-N 1 0 208.305 0.714 20 30 BCEDRO C#CCNC(=O)CC[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000292786144 353724782 /nfs/dbraw/zinc/72/47/82/353724782.db2.gz LCIHETDJIDCEMR-QWRGUYRKSA-N 1 0 208.305 0.714 20 30 BCEDRO C=CCOCC[N@H+]1CCC[C@H]1C(=O)NC ZINC000292947554 353730003 /nfs/dbraw/zinc/73/00/03/353730003.db2.gz BIHFYXKZXNOQFQ-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CCCOC ZINC000293487164 353751334 /nfs/dbraw/zinc/75/13/34/353751334.db2.gz MSVCTYQYWKTQCR-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(F)c[nH]1 ZINC000293910575 353763594 /nfs/dbraw/zinc/76/35/94/353763594.db2.gz GAWJWCYNFYDDAZ-UHFFFAOYSA-N 1 0 237.278 0.839 20 30 BCEDRO CC#CCN(C)CC(=O)NC(=O)NCCC ZINC000293290489 353740024 /nfs/dbraw/zinc/74/00/24/353740024.db2.gz VZGFQLADKSQJRP-UHFFFAOYSA-N 1 0 225.292 0.177 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H]1CCNC(=O)CC1 ZINC000295059483 353797411 /nfs/dbraw/zinc/79/74/11/353797411.db2.gz PHXUYBJCONLPPB-LBPRGKRZSA-N 1 0 218.300 0.471 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NCC[C@H](C)O ZINC000297196141 353840045 /nfs/dbraw/zinc/84/00/45/353840045.db2.gz CNJJYHQPZXATDS-NSHDSACASA-N 1 0 241.335 0.012 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@](C)(F)C1 ZINC000295361945 353805007 /nfs/dbraw/zinc/80/50/07/353805007.db2.gz JHUSHIHUDZFCDW-LBPRGKRZSA-N 1 0 226.295 0.950 20 30 BCEDRO C#Cc1ccc(CNC(=O)C[NH+](C)C)cc1 ZINC000295414379 353805535 /nfs/dbraw/zinc/80/55/35/353805535.db2.gz JNWAHWADXXKYFY-UHFFFAOYSA-N 1 0 216.284 0.846 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CCO[C@@H](C#N)C1 ZINC000359263676 535247642 /nfs/dbraw/zinc/24/76/42/535247642.db2.gz NZFHMCFNTITFLT-JTQLQIEISA-N 1 0 225.292 0.079 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(CC)CC[NH3+] ZINC000627104999 363264761 /nfs/dbraw/zinc/26/47/61/363264761.db2.gz RAAFDEXMPMHYRX-QWRGUYRKSA-N 1 0 241.335 0.568 20 30 BCEDRO C#CC[N@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000296384858 353824636 /nfs/dbraw/zinc/82/46/36/353824636.db2.gz SFRRAVVKTVAXRW-NSHDSACASA-N 1 0 211.261 0.131 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)CCCn1ccnc1 ZINC000185995636 353862174 /nfs/dbraw/zinc/86/21/74/353862174.db2.gz YASCZQKDMQZKJI-LLVKDONJSA-N 1 0 234.303 0.936 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)CSCC#N)CCC[N@@H+]1C ZINC000343418754 353881123 /nfs/dbraw/zinc/88/11/23/353881123.db2.gz CKHLNZKLSNZTJD-ZJUUUORDSA-N 1 0 241.360 0.842 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343422061 353881535 /nfs/dbraw/zinc/88/15/35/353881535.db2.gz BZBQZLUATOZEKV-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCCNC(=O)N(C)CCOCC[NH3+] ZINC000627113121 363272802 /nfs/dbraw/zinc/27/28/02/363272802.db2.gz SRAZDOLSDJJENH-UHFFFAOYSA-N 1 0 215.297 0.179 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000366832606 353920144 /nfs/dbraw/zinc/92/01/44/353920144.db2.gz STZCAUUCNKBESY-JTQLQIEISA-N 1 0 246.738 0.964 20 30 BCEDRO CC[N@H+](CCCO)[C@H](C)C(=O)N(C)CCC#N ZINC000343737938 353968719 /nfs/dbraw/zinc/96/87/19/353968719.db2.gz INRYQBFMBCLSOG-LLVKDONJSA-N 1 0 241.335 0.451 20 30 BCEDRO C=C[C@@H]1CCCC[N@H+]1C[C@](C)(O)C(=O)OC ZINC000343760581 353976326 /nfs/dbraw/zinc/97/63/26/353976326.db2.gz BGLAZDDKMVLLLK-PWSUYJOCSA-N 1 0 227.304 0.951 20 30 BCEDRO CCN(CCC#N)C(=O)[C@@H](C)N1CCOCC1 ZINC000343775389 353985295 /nfs/dbraw/zinc/98/52/95/353985295.db2.gz QEOSQJKDEYYLLQ-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO C=CCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000343648369 353953518 /nfs/dbraw/zinc/95/35/18/353953518.db2.gz WEJYWYRSVIAFKN-UHFFFAOYSA-N 1 0 237.347 0.412 20 30 BCEDRO C=C1CCN(C(=O)[C@H]2C[N@@H+]3CCN2CCC3)CC1 ZINC000343656900 353954877 /nfs/dbraw/zinc/95/48/77/353954877.db2.gz DLWAFRAGVKIIJR-CYBMUJFWSA-N 1 0 249.358 0.555 20 30 BCEDRO CC(C)N1CCO[C@H](C(=O)N(C)CC#N)C1 ZINC000366838936 353960243 /nfs/dbraw/zinc/96/02/43/353960243.db2.gz ODDVZGFPFWPLHW-JTQLQIEISA-N 1 0 225.292 0.078 20 30 BCEDRO C=CC1CC[NH+](C[C@@](C)(O)C(=O)OC)CC1 ZINC000343799564 354003086 /nfs/dbraw/zinc/00/30/86/354003086.db2.gz BNDXFFWXESYAMM-GFCCVEGCSA-N 1 0 227.304 0.808 20 30 BCEDRO N#C[C@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333783543 181068440 /nfs/dbraw/zinc/06/84/40/181068440.db2.gz LHIDROILXMPPSG-MXWKQRLJSA-N 1 0 236.319 0.730 20 30 BCEDRO CCCN(CC#N)CCN1CC[NH+](CC)CC1 ZINC000344151657 354155661 /nfs/dbraw/zinc/15/56/61/354155661.db2.gz TXXLTKBNRUJMNO-UHFFFAOYSA-N 1 0 238.379 0.859 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+]CC(C)(C)C(=O)OC ZINC000151789478 166389123 /nfs/dbraw/zinc/38/91/23/166389123.db2.gz ZFZFACNJGWRHPV-VIFPVBQESA-N 1 0 242.319 0.466 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CCS(=O)(=O)N(C)C ZINC000230987816 363332089 /nfs/dbraw/zinc/33/20/89/363332089.db2.gz VPXZEWIXNJMWTN-JTQLQIEISA-N 1 0 234.365 0.822 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740437 202015917 /nfs/dbraw/zinc/01/59/17/202015917.db2.gz GFJTWJULMPBSOP-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCCCN(C)C(=O)C[C@H](C[NH3+])OC ZINC000232125576 363363857 /nfs/dbraw/zinc/36/38/57/363363857.db2.gz URPQLJOYTLABOP-SNVBAGLBSA-N 1 0 214.309 0.775 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000021952612 181097712 /nfs/dbraw/zinc/09/77/12/181097712.db2.gz DIAXYBAIVPIEGQ-UHFFFAOYSA-N 1 0 215.256 0.604 20 30 BCEDRO C[C@H](CNS(=O)(=O)CCC#N)[N@H+](C)C1CC1 ZINC000331797729 134002503 /nfs/dbraw/zinc/00/25/03/134002503.db2.gz WMXVRNIZEGKWLJ-SECBINFHSA-N 1 0 245.348 0.302 20 30 BCEDRO C[C@H](C(=O)NCC#CCO)[NH+]1CCCCCC1 ZINC000332058491 134003944 /nfs/dbraw/zinc/00/39/44/134003944.db2.gz XXOADYCKDNWRPM-GFCCVEGCSA-N 1 0 238.331 0.363 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCNC(=O)C2CC2)o1 ZINC000135128135 181108806 /nfs/dbraw/zinc/10/88/06/181108806.db2.gz MYUOSHIYODQFSE-UHFFFAOYSA-N 1 0 233.271 0.767 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2CCC(=O)NC2)cc1 ZINC000110910936 181110200 /nfs/dbraw/zinc/11/02/00/181110200.db2.gz BGLQLFGRGAMRQG-LBPRGKRZSA-N 1 0 229.283 0.926 20 30 BCEDRO N#Cc1ccc(S(=O)(=O)NCCC[NH3+])cc1 ZINC000021810422 181129378 /nfs/dbraw/zinc/12/93/78/181129378.db2.gz ICUZMCDQULBXEK-UHFFFAOYSA-N 1 0 239.300 0.185 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061710380 181129813 /nfs/dbraw/zinc/12/98/13/181129813.db2.gz JIBKTBQVYMUVGI-STQMWFEESA-N 1 0 232.283 0.658 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000123086332 181130536 /nfs/dbraw/zinc/13/05/36/181130536.db2.gz FUNGNNBBIUUTEG-JSGCOSHPSA-N 1 0 246.310 0.906 20 30 BCEDRO CC#CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000334711189 354507666 /nfs/dbraw/zinc/50/76/66/354507666.db2.gz YAPDTKRJDGQIQH-YOGCLGLASA-N 1 0 235.331 0.934 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000335107169 354692020 /nfs/dbraw/zinc/69/20/20/354692020.db2.gz CXLJBVWCJMXLMZ-LLVKDONJSA-N 1 0 204.277 0.938 20 30 BCEDRO CN(c1ccnc(C#N)n1)[C@H]1CCC[N@H+](C)C1 ZINC000383648196 354720262 /nfs/dbraw/zinc/72/02/62/354720262.db2.gz CWYVYYAPWBHLMK-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCN(C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627150153 363385613 /nfs/dbraw/zinc/38/56/13/363385613.db2.gz DBWDCOZWZRWWSA-UHFFFAOYSA-N 1 0 227.308 0.322 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627152831 363392057 /nfs/dbraw/zinc/39/20/57/363392057.db2.gz GRUMYNJGKUSGNE-SNVBAGLBSA-N 1 0 241.335 0.758 20 30 BCEDRO C=C[C@@H](C(=O)OC)N(C)CC[NH+]1CCCC1 ZINC000301051153 363395594 /nfs/dbraw/zinc/39/55/94/363395594.db2.gz UAJXZWQFWOCTDN-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCOCCCN1C[C@H](F)C[C@@H]1C(N)=O ZINC000346085994 354863489 /nfs/dbraw/zinc/86/34/89/354863489.db2.gz MLCPMWVIKNZZEI-NXEZZACHSA-N 1 0 230.283 0.477 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627186250 363439744 /nfs/dbraw/zinc/43/97/44/363439744.db2.gz RKUFJWWJOSLYIB-UWVGGRQHSA-N 1 0 227.308 0.239 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627186249 363439829 /nfs/dbraw/zinc/43/98/29/363439829.db2.gz RKUFJWWJOSLYIB-NXEZZACHSA-N 1 0 227.308 0.239 20 30 BCEDRO C[C@@]1(C(N)=O)CC[N@H+](CCCCC#N)C1 ZINC000235398687 363442692 /nfs/dbraw/zinc/44/26/92/363442692.db2.gz BVUZRYBFTIIWOV-LLVKDONJSA-N 1 0 209.293 0.878 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCC1 ZINC000346393798 354908764 /nfs/dbraw/zinc/90/87/64/354908764.db2.gz CRONBJDUPPYIOI-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C[C@@H]1CCCCN1CC(=O)NC(N)=O ZINC000335218480 355057202 /nfs/dbraw/zinc/05/72/02/355057202.db2.gz LHYZWZXVTKNIHF-MRVPVSSYSA-N 1 0 211.265 0.222 20 30 BCEDRO CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C#N)C[C@@H]2C)C1 ZINC000412874213 191322652 /nfs/dbraw/zinc/32/26/52/191322652.db2.gz IPRQYPDAIWCCEW-JBLDHEPKSA-N 1 0 221.304 0.747 20 30 BCEDRO CC[N@@H+]1CC[C@H](NC(=O)[C@]2(C#N)C[C@H]2C)C1 ZINC000412874221 191322766 /nfs/dbraw/zinc/32/27/66/191322766.db2.gz IPRQYPDAIWCCEW-SCVCMEIPSA-N 1 0 221.304 0.747 20 30 BCEDRO CC(C)[C@@H](CO)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000346945031 355160379 /nfs/dbraw/zinc/16/03/79/355160379.db2.gz MNHSOYLSAVLDJC-SNVBAGLBSA-N 1 0 239.319 0.155 20 30 BCEDRO C=CCN(CC(C)(C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000346835839 355131525 /nfs/dbraw/zinc/13/15/25/355131525.db2.gz OKVGEABCAZSLQK-JTQLQIEISA-N 1 0 246.376 0.399 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCNC(=O)C1 ZINC000639248239 355277046 /nfs/dbraw/zinc/27/70/46/355277046.db2.gz VMNOIIXRARMYNA-AXFHLTTASA-N 1 0 224.304 0.588 20 30 BCEDRO Cc1cc(N2CCC(O)(C[NH3+])CC2)c(C#N)cn1 ZINC000399105790 355368459 /nfs/dbraw/zinc/36/84/59/355368459.db2.gz XPSPIVFKQFZNSC-UHFFFAOYSA-N 1 0 246.314 0.552 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000388920457 355339662 /nfs/dbraw/zinc/33/96/62/355339662.db2.gz ANHFEDWPLISUAW-GRYCIOLGSA-N 1 0 238.331 0.529 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(C[C@H](C)C#N)C1CC1 ZINC000583507542 355343897 /nfs/dbraw/zinc/34/38/97/355343897.db2.gz APYJHVLFKKHEJH-YPMHNXCESA-N 1 0 239.363 0.923 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCN(C)C[C@@H]1CC ZINC000491623941 491079358 /nfs/dbraw/zinc/07/93/58/491079358.db2.gz IQYOJOVRSBAAHZ-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO N#Cc1cncnc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000383860937 355416972 /nfs/dbraw/zinc/41/69/72/355416972.db2.gz CQLLJLMLWYUSKG-SNVBAGLBSA-N 1 0 229.287 0.419 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CCC[N@H+](C)CC1 ZINC000335813413 355501215 /nfs/dbraw/zinc/50/12/15/355501215.db2.gz XIDFBHGUSALZAA-SNVBAGLBSA-N 1 0 224.308 0.493 20 30 BCEDRO C[C@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CC#N ZINC000335798312 355455610 /nfs/dbraw/zinc/45/56/10/355455610.db2.gz ZVQCGVWEJGFJIC-WDEREUQCSA-N 1 0 221.304 0.985 20 30 BCEDRO CC(C)[C@@H](C(=O)NCC1(C#N)CC1)[NH+](C)C ZINC000583543440 355520462 /nfs/dbraw/zinc/52/04/62/355520462.db2.gz NTNWXSMVTQVVON-JTQLQIEISA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC#N ZINC000335847388 355591546 /nfs/dbraw/zinc/59/15/46/355591546.db2.gz HQUCIVSNSVCCCI-PSASIEDQSA-N 1 0 207.277 0.499 20 30 BCEDRO C[C@@H](CCC#N)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000582184155 355660007 /nfs/dbraw/zinc/66/00/07/355660007.db2.gz OIRCXQYKLWJIBS-RYUDHWBXSA-N 1 0 225.336 0.677 20 30 BCEDRO C=CCSCCNC(=O)NCC[NH2+]C ZINC000417342301 191789193 /nfs/dbraw/zinc/78/91/93/191789193.db2.gz MMKWYDRMZWAURF-UHFFFAOYSA-N 1 0 217.338 0.424 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)c1ccccn1 ZINC000353982771 355735729 /nfs/dbraw/zinc/73/57/29/355735729.db2.gz XIVVPIWRVHAMTF-SNVBAGLBSA-N 1 0 242.286 0.896 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639325678 355724878 /nfs/dbraw/zinc/72/48/78/355724878.db2.gz AFUPCVRMPGEKFH-MXWKQRLJSA-N 1 0 226.320 0.570 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000107693382 355825138 /nfs/dbraw/zinc/82/51/38/355825138.db2.gz MPPXELUCVBBERD-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO CN1CCO[C@H](C(=O)N[C@@H]2CNC(=O)C2)C1 ZINC000329257656 355908096 /nfs/dbraw/zinc/90/80/96/355908096.db2.gz CBKDWPDSXCBRMD-YUMQZZPRSA-N 1 0 227.264 0.002 20 30 BCEDRO Nc1nccnc1C(=O)NCCN1CC=CCC1 ZINC000329124950 355898085 /nfs/dbraw/zinc/89/80/85/355898085.db2.gz XTSSSBCBKVFAPV-UHFFFAOYSA-N 1 0 247.302 0.625 20 30 BCEDRO C[C@@H](CCC#N)[N@H+](C)CC(C)(CO)CO ZINC000351327987 355980229 /nfs/dbraw/zinc/98/02/29/355980229.db2.gz MDFAXAJNTCLLCU-JTQLQIEISA-N 1 0 214.309 0.601 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000351158363 355955990 /nfs/dbraw/zinc/95/59/90/355955990.db2.gz BLVMXTKEDSSHRW-AXFHLTTASA-N 1 0 224.304 0.385 20 30 BCEDRO CC#CCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418033731 191956569 /nfs/dbraw/zinc/95/65/69/191956569.db2.gz RXZFYUDCIZPUGE-JTQLQIEISA-N 1 0 211.309 0.682 20 30 BCEDRO C[C@@H]1C[N@H+](CCCSCC#N)C[C@@H]1O ZINC000351806594 356088498 /nfs/dbraw/zinc/08/84/98/356088498.db2.gz FWSKMKZQDBENOJ-ZJUUUORDSA-N 1 0 214.334 0.946 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000617550169 356092637 /nfs/dbraw/zinc/09/26/37/356092637.db2.gz KJMIFEWXCUDBJG-NXEZZACHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]([NH3+])CC ZINC000418247719 192003100 /nfs/dbraw/zinc/00/31/00/192003100.db2.gz GVPGTCUMYYALBW-AEJSXWLSSA-N 1 0 227.308 0.366 20 30 BCEDRO C=C(C)CCNC(=O)NCC[NH2+]CCOC ZINC000418240106 192003558 /nfs/dbraw/zinc/00/35/58/192003558.db2.gz IFTKDZBCEYVYLC-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C=CC(C)(C)CNC(=O)NCC[NH2+]CCOC ZINC000418254598 192004801 /nfs/dbraw/zinc/00/48/01/192004801.db2.gz QUDAEZUWMCFCLC-UHFFFAOYSA-N 1 0 243.351 0.734 20 30 BCEDRO C=CC(C)(C)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000418256382 192005754 /nfs/dbraw/zinc/00/57/54/192005754.db2.gz SQEWTOFESUXVJI-VIFPVBQESA-N 1 0 211.309 0.860 20 30 BCEDRO CC(C)(CC#N)CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418272776 192011310 /nfs/dbraw/zinc/01/13/10/192011310.db2.gz AUOGNXZQHZKMMY-JTQLQIEISA-N 1 0 238.335 0.977 20 30 BCEDRO C=C(C)C[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000335912658 356135562 /nfs/dbraw/zinc/13/55/62/356135562.db2.gz KUKSGZOULFLQIQ-JTQLQIEISA-N 1 0 232.349 0.528 20 30 BCEDRO C=CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000617611149 356178562 /nfs/dbraw/zinc/17/85/62/356178562.db2.gz NCQYNBIKOIWNQQ-UHFFFAOYSA-N 1 0 236.319 0.751 20 30 BCEDRO CN1CCO[C@H](C(=O)NC[C@](C)(O)C2CC2)C1 ZINC000329933587 356146965 /nfs/dbraw/zinc/14/69/65/356146965.db2.gz BOWKMPPRLKWGPL-JQWIXIFHSA-N 1 0 242.319 0.435 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CCC(C)(C#N)CC1 ZINC000384063560 356178675 /nfs/dbraw/zinc/17/86/75/356178675.db2.gz YMQHCAYBJXUNHG-GFCCVEGCSA-N 1 0 239.363 0.925 20 30 BCEDRO CC#CCNC(=O)NCCC[NH2+]C1CC1 ZINC000418288155 192015179 /nfs/dbraw/zinc/01/51/79/192015179.db2.gz LZOLFELZYANEBG-UHFFFAOYSA-N 1 0 209.293 0.451 20 30 BCEDRO N#Cc1cccc(C#N)c1NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000420233995 192181711 /nfs/dbraw/zinc/18/17/11/192181711.db2.gz CDFOUYMSNUGZKA-RYUDHWBXSA-N 1 0 242.282 0.422 20 30 BCEDRO Cc1ccc(N(C)C2C[NH2+]C2)nc1C#N ZINC000420263482 192191272 /nfs/dbraw/zinc/19/12/72/192191272.db2.gz SUOBWDRTQNASHW-UHFFFAOYSA-N 1 0 202.261 0.670 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC[C@@H]([NH2+]C)C2)C1=O ZINC000420282041 192199924 /nfs/dbraw/zinc/19/99/24/192199924.db2.gz BBUYDXVDGJSSKI-VXGBXAGGSA-N 1 0 237.347 0.457 20 30 BCEDRO C=CCN1CC[C@H](N2CCCC[C@H]2C[NH3+])C1=O ZINC000420288438 192201063 /nfs/dbraw/zinc/20/10/63/192201063.db2.gz HAAARLBAAVMKLP-RYUDHWBXSA-N 1 0 237.347 0.587 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC[C@H](C)[NH+](C)C ZINC000617758851 356314672 /nfs/dbraw/zinc/31/46/72/356314672.db2.gz XUKREENGXKRFRD-JQWIXIFHSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420345173 192215478 /nfs/dbraw/zinc/21/54/78/192215478.db2.gz ZFCWHXSAXZYZAX-PWSUYJOCSA-N 1 0 243.326 0.311 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420345171 192215680 /nfs/dbraw/zinc/21/56/80/192215680.db2.gz ZFCWHXSAXZYZAX-CMPLNLGQSA-N 1 0 243.326 0.311 20 30 BCEDRO C=CCN1CC[C@@H](N[C@H](C[NH3+])C(C)(C)C)C1=O ZINC000420364908 192224283 /nfs/dbraw/zinc/22/42/83/192224283.db2.gz PNQJLNCUSKQATP-GHMZBOCLSA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000420462914 192244050 /nfs/dbraw/zinc/24/40/50/192244050.db2.gz IJYVJVFMCDZSSG-WDEREUQCSA-N 1 0 246.376 0.999 20 30 BCEDRO C=CCCS(=O)(=O)N(C)CCC[NH2+]C ZINC000420467587 192244372 /nfs/dbraw/zinc/24/43/72/192244372.db2.gz DNVBTQAEAYBVFZ-UHFFFAOYSA-N 1 0 220.338 0.434 20 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0.785 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000336203363 134131238 /nfs/dbraw/zinc/13/12/38/134131238.db2.gz YYACLDMDQJVKIF-MNOVXSKESA-N 1 0 224.304 0.350 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000622012938 370663506 /nfs/dbraw/zinc/66/35/06/370663506.db2.gz IHMXIHITQDUBHY-GHMZBOCLSA-N 1 0 244.360 0.706 20 30 BCEDRO C=CCN(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627204796 363501009 /nfs/dbraw/zinc/50/10/09/363501009.db2.gz GGOPDDZIRXGANH-NXEZZACHSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627204959 363501096 /nfs/dbraw/zinc/50/10/96/363501096.db2.gz JPCPROJBEYSOPG-GARJFASQSA-N 1 0 241.335 0.363 20 30 BCEDRO C=CCCN(C)C(=O)NCCOCCC[NH3+] ZINC000627218008 363517499 /nfs/dbraw/zinc/51/74/99/363517499.db2.gz YVCKHQQZHCZKLT-UHFFFAOYSA-N 1 0 229.324 0.569 20 30 BCEDRO C=C(CC)C[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639720226 356618517 /nfs/dbraw/zinc/61/85/17/356618517.db2.gz DWZYWEXHLQFNKG-UHFFFAOYSA-N 1 0 235.335 0.889 20 30 BCEDRO C=CCCC[NH2+][C@@H]1CCN[C@@H]1C(=O)OCC ZINC000423090848 192564509 /nfs/dbraw/zinc/56/45/09/192564509.db2.gz YMKURHHGCDLIHN-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000336620587 134151822 /nfs/dbraw/zinc/15/18/22/134151822.db2.gz IYXVGOATKWSLFO-VIFPVBQESA-N 1 0 218.322 0.186 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@](C)(CO)C(C)C)C1=O ZINC000352890353 134157603 /nfs/dbraw/zinc/15/76/03/134157603.db2.gz CPYLGFGKTBIRPR-WCQYABFASA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CC1(O)CCC1 ZINC000353509932 134164118 /nfs/dbraw/zinc/16/41/18/134164118.db2.gz IECHMMZJTXTLIY-JTQLQIEISA-N 1 0 226.320 0.524 20 30 BCEDRO CC#CCCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000354261889 134167413 /nfs/dbraw/zinc/16/74/13/134167413.db2.gz POARISLFQBZFIY-UHFFFAOYSA-N 1 0 235.331 0.961 20 30 BCEDRO C[C@@H]1C[C@H](C)[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC000355733479 134174899 /nfs/dbraw/zinc/17/48/99/134174899.db2.gz AOOXRMYYMMBBQI-OUAUKWLOSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(CC#N)CC#N ZINC000355406789 134173159 /nfs/dbraw/zinc/17/31/59/134173159.db2.gz ARUBDRDFTRYZKK-QWRGUYRKSA-N 1 0 234.303 0.735 20 30 BCEDRO CC[C@](C)(C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385036136 356871129 /nfs/dbraw/zinc/87/11/29/356871129.db2.gz YTWWYVNZQRBPSP-MPPDQPJWSA-N 1 0 235.331 0.945 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC[NH+]1CCC1 ZINC000542877449 325059932 /nfs/dbraw/zinc/05/99/32/325059932.db2.gz SUIMLSMXCXHIRO-SECBINFHSA-N 1 0 210.281 0.151 20 30 BCEDRO C=C(C)CC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639855716 356860601 /nfs/dbraw/zinc/86/06/01/356860601.db2.gz PHIKPCQYYGXSHB-LBPRGKRZSA-N 1 0 236.319 0.945 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000356371457 134178038 /nfs/dbraw/zinc/17/80/38/134178038.db2.gz VRLXHPWAVCHSJV-GRYCIOLGSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCOCC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000356446127 134178372 /nfs/dbraw/zinc/17/83/72/134178372.db2.gz QUHUDSBNDHHBKT-NSHDSACASA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCOCC(=O)NCC[NH+]1CCCC1 ZINC000356469959 134178514 /nfs/dbraw/zinc/17/85/14/134178514.db2.gz APNFNJPFTRTSPW-UHFFFAOYSA-N 1 0 212.293 0.401 20 30 BCEDRO C=CCN(CC(F)(F)F)C(=O)[C@H]([NH3+])COC ZINC000357119327 134182252 /nfs/dbraw/zinc/18/22/52/134182252.db2.gz OFGLDUPKDTWXQE-SSDOTTSWSA-N 1 0 240.225 0.537 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000369627498 356989085 /nfs/dbraw/zinc/98/90/85/356989085.db2.gz ZPJQLBOHCDHGNT-NSHDSACASA-N 1 0 221.304 0.499 20 30 BCEDRO C=CC[N@H+](CCC(=O)N1CCOCC1)C1CC1 ZINC000357525790 134183514 /nfs/dbraw/zinc/18/35/14/134183514.db2.gz FZMYZIJJTRAXKV-UHFFFAOYSA-N 1 0 238.331 0.886 20 30 BCEDRO C=CC[N@@H+](CCCS(=O)(=O)NC)C1CC1 ZINC000357526555 134183618 /nfs/dbraw/zinc/18/36/18/134183618.db2.gz GMEGANQEMPXCIE-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000390209602 357085699 /nfs/dbraw/zinc/08/56/99/357085699.db2.gz XEUQWITVFRUTLM-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO N#Cc1cncnc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000582417063 357139772 /nfs/dbraw/zinc/13/97/72/357139772.db2.gz CRTKRJSTLJJVIC-GFCCVEGCSA-N 1 0 241.298 0.799 20 30 BCEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC#N ZINC000358619570 134190702 /nfs/dbraw/zinc/19/07/02/134190702.db2.gz ZCGGFDMTRLWWSA-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO COC[C@@](C)(C#N)NC(=O)CCCC[NH+](C)C ZINC000582398028 357130238 /nfs/dbraw/zinc/13/02/38/357130238.db2.gz OOLSHYFRIIMGLX-GFCCVEGCSA-N 1 0 241.335 0.763 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](Cc2cn(CC(N)=O)nn2)C1 ZINC000628406772 357201231 /nfs/dbraw/zinc/20/12/31/357201231.db2.gz QIVOZBPHESLSAM-JTQLQIEISA-N 1 0 249.318 0.161 20 30 BCEDRO C=CC[C@@H](CC)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000393846079 357303114 /nfs/dbraw/zinc/30/31/14/357303114.db2.gz LGFAEGZWZRETKF-OLZOCXBDSA-N 1 0 242.363 0.624 20 30 BCEDRO CC(C)C[C@H](C[NH3+])NC(=O)NCC1(C#N)CC1 ZINC000582715560 357369719 /nfs/dbraw/zinc/36/97/19/357369719.db2.gz OCWYURHLLJPALR-SNVBAGLBSA-N 1 0 238.335 0.963 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCSC1 ZINC000582840741 357412729 /nfs/dbraw/zinc/41/27/29/357412729.db2.gz JBZHCDHGXIXFNZ-GHMZBOCLSA-N 1 0 243.376 0.288 20 30 BCEDRO CC1(C)C[C@@H]([NH2+]CCn2cnc(C#N)n2)CO1 ZINC000582857761 357415034 /nfs/dbraw/zinc/41/50/34/357415034.db2.gz ZAQFXMDGAHCAJG-SECBINFHSA-N 1 0 235.291 0.307 20 30 BCEDRO CC#CCCNC(=O)NCC[NH+]1CCC1 ZINC000361644973 134206979 /nfs/dbraw/zinc/20/69/79/134206979.db2.gz QXDRHZJZCHMNJO-UHFFFAOYSA-N 1 0 209.293 0.405 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994072 363583611 /nfs/dbraw/zinc/58/36/11/363583611.db2.gz BEPDKHBYSQNELQ-LBPRGKRZSA-N 1 0 236.315 0.190 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361554340 134206422 /nfs/dbraw/zinc/20/64/22/134206422.db2.gz SJZDBRCMQYHQHI-CMPLNLGQSA-N 1 0 226.320 0.511 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](CO)OC[C@H]1C ZINC000361677161 134207194 /nfs/dbraw/zinc/20/71/94/134207194.db2.gz DUJSWDPFERMVFC-WOPDTQHZSA-N 1 0 229.320 0.395 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000362449050 134211155 /nfs/dbraw/zinc/21/11/55/134211155.db2.gz NWWPGCBOPIJQBS-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000362457618 134211375 /nfs/dbraw/zinc/21/13/75/134211375.db2.gz ZWPKGTHQRRMVII-QWRGUYRKSA-N 1 0 237.303 0.127 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000362449054 134211385 /nfs/dbraw/zinc/21/13/85/134211385.db2.gz NWWPGCBOPIJQBS-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCCN(CC)C(=O)C1 ZINC000190223774 357695828 /nfs/dbraw/zinc/69/58/28/357695828.db2.gz BXKKNSSBWVQAEK-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C(=O)OC)C2(CCC2)C1 ZINC000368473424 134218828 /nfs/dbraw/zinc/21/88/28/134218828.db2.gz HIZFKZMDRDPETA-JTQLQIEISA-N 1 0 207.273 0.895 20 30 BCEDRO CCS[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC#N ZINC000233838573 357756431 /nfs/dbraw/zinc/75/64/31/357756431.db2.gz DSDTVBCJLRMHPY-NXEZZACHSA-N 1 0 241.360 0.890 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@@H](CC)[NH+](C)C ZINC000191959669 357806487 /nfs/dbraw/zinc/80/64/87/357806487.db2.gz PBWSORNAIWPDRL-LLVKDONJSA-N 1 0 228.336 0.988 20 30 BCEDRO CCc1nc(CCNC(N)=[NH2+])sc1C ZINC000303359813 134233669 /nfs/dbraw/zinc/23/36/69/134233669.db2.gz BJUGZXLSXIQBHX-UHFFFAOYSA-N 1 0 212.322 0.830 20 30 BCEDRO C[C@H](CC#N)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000371980621 134230159 /nfs/dbraw/zinc/23/01/59/134230159.db2.gz RIFHCTLJUMANTK-KOLCDFICSA-N 1 0 221.304 0.747 20 30 BCEDRO CC#CCC[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000372079154 134230397 /nfs/dbraw/zinc/23/03/97/134230397.db2.gz WVSOJDGFSNCNGW-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO C=CCC[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639942064 357961868 /nfs/dbraw/zinc/96/18/68/357961868.db2.gz DFGMLRJEWXSERH-VXGBXAGGSA-N 1 0 222.288 0.547 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1c1ccnc(C#N)n1 ZINC000583763688 357938348 /nfs/dbraw/zinc/93/83/48/357938348.db2.gz ICYGAHYFTJQVRP-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO CC#CCNC(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000374048740 134235416 /nfs/dbraw/zinc/23/54/16/134235416.db2.gz FMFBVESFMDQZQW-LLVKDONJSA-N 1 0 224.304 0.235 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC1(C#N)CC1 ZINC000583802002 357952857 /nfs/dbraw/zinc/95/28/57/357952857.db2.gz LXHILPIVQJYSPU-ZJUUUORDSA-N 1 0 236.319 0.587 20 30 BCEDRO C=CC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639946003 357967993 /nfs/dbraw/zinc/96/79/93/357967993.db2.gz OLJUELKSOSHRTM-PHIMTYICSA-N 1 0 208.261 0.157 20 30 BCEDRO C=C(C)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639948658 357971892 /nfs/dbraw/zinc/97/18/92/357971892.db2.gz CSVOZTSOMZRIMF-RYUDHWBXSA-N 1 0 222.288 0.547 20 30 BCEDRO COCCN(CCC#N)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000610556188 357977546 /nfs/dbraw/zinc/97/75/46/357977546.db2.gz UQWVBQFLKIVDLM-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO CC[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)OC ZINC000584465697 357992636 /nfs/dbraw/zinc/99/26/36/357992636.db2.gz XITXWIGJSSCQAC-RYUDHWBXSA-N 1 0 243.351 0.207 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCN1CCOC[C@@H]1C ZINC000584478670 357995788 /nfs/dbraw/zinc/99/57/88/357995788.db2.gz YUELPIXSZQESGQ-NWDGAFQWSA-N 1 0 225.336 0.989 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCN1CCOC[C@H]1C ZINC000584478672 357996172 /nfs/dbraw/zinc/99/61/72/357996172.db2.gz YUELPIXSZQESGQ-VXGBXAGGSA-N 1 0 225.336 0.989 20 30 BCEDRO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000610604275 358015908 /nfs/dbraw/zinc/01/59/08/358015908.db2.gz LJKINRAWLPKFEJ-BETUJISGSA-N 1 0 232.283 0.486 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCn1cc(C)cn1 ZINC000262542806 535389522 /nfs/dbraw/zinc/38/95/22/535389522.db2.gz SPZZOTLOSYURKV-UHFFFAOYSA-N 1 0 223.324 0.848 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCSC[C@H](C)C1 ZINC000294496380 491121723 /nfs/dbraw/zinc/12/17/23/491121723.db2.gz IATSXXKHJIHDOJ-LLVKDONJSA-N 1 0 240.372 0.811 20 30 BCEDRO C#CCNC(=O)[C@H]([NH2+]C1CCOCC1)C(C)C ZINC000076323571 325340666 /nfs/dbraw/zinc/34/06/66/325340666.db2.gz WQYISSXYRDHCPS-GFCCVEGCSA-N 1 0 238.331 0.529 20 30 BCEDRO C=C(Br)CNC(=[NH2+])N1CCOCC1 ZINC000170911568 134255510 /nfs/dbraw/zinc/25/55/10/134255510.db2.gz MDFVKWIKDLBTQE-UHFFFAOYSA-N 1 0 248.124 0.542 20 30 BCEDRO [NH2+]=C(NCCC1CC1)NC[C@@H]1CCCO1 ZINC000172839278 134269772 /nfs/dbraw/zinc/26/97/72/134269772.db2.gz FJGKCWSMWYHTOG-JTQLQIEISA-N 1 0 211.309 0.870 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](O)c1cccc(OC)c1 ZINC000267450396 535423591 /nfs/dbraw/zinc/42/35/91/535423591.db2.gz RFBOVIIPVGCMGD-LLVKDONJSA-N 1 0 237.303 0.653 20 30 BCEDRO C[C@@H](C#N)C[N@H+](C)CCCC(=O)N(C)C ZINC000043453346 358376149 /nfs/dbraw/zinc/37/61/49/358376149.db2.gz DPFCQJXHYXJJHW-JTQLQIEISA-N 1 0 211.309 0.946 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](O)CCc1ccccc1 ZINC000273344208 535422823 /nfs/dbraw/zinc/42/28/23/535422823.db2.gz OAAXOAMCBRMPIP-LBPRGKRZSA-N 1 0 235.331 0.904 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCOCCOC ZINC000044725164 358392518 /nfs/dbraw/zinc/39/25/18/358392518.db2.gz UHTIZVXIGYKVBS-JTQLQIEISA-N 1 0 200.282 0.931 20 30 BCEDRO CCNC(=[NH2+])NCc1cn2c(n1)CCCC2 ZINC000264328845 535424330 /nfs/dbraw/zinc/42/43/30/535424330.db2.gz ZKVZNKPCOGNDQA-UHFFFAOYSA-N 1 0 221.308 0.644 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000310258847 358443314 /nfs/dbraw/zinc/44/33/14/358443314.db2.gz QAPDCZLEPVEGOB-MNOVXSKESA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000126419755 358550020 /nfs/dbraw/zinc/55/00/20/358550020.db2.gz VIEPHOFICKLDTH-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000127158577 358560351 /nfs/dbraw/zinc/56/03/51/358560351.db2.gz SLAXPQDNEWIBML-LLVKDONJSA-N 1 0 229.320 0.661 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613664165 363614307 /nfs/dbraw/zinc/61/43/07/363614307.db2.gz DIRBTLFZODHPHY-NQBHXWOUSA-N 1 0 240.347 0.912 20 30 BCEDRO CCOC(=O)[C@@H]1CCC[N@H+](CC#CCOC)C1 ZINC000611080195 358597375 /nfs/dbraw/zinc/59/73/75/358597375.db2.gz CLXKOQVPRZRFEV-GFCCVEGCSA-N 1 0 239.315 0.911 20 30 BCEDRO C[C@@H](C#N)C[N@H+](C)CCCC(=O)NC(N)=O ZINC000049442102 358689572 /nfs/dbraw/zinc/68/95/72/358689572.db2.gz LOQCXMMQDWDRNM-QMMMGPOBSA-N 1 0 226.280 0.053 20 30 BCEDRO C[C@@H](C#N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000134882405 358810399 /nfs/dbraw/zinc/81/03/99/358810399.db2.gz CLGIZVANVVTUBE-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C=CC[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052134087 358774297 /nfs/dbraw/zinc/77/42/97/358774297.db2.gz RKIWILUJFKILBY-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CC)[C@H]1CCOC1 ZINC000134402530 358789155 /nfs/dbraw/zinc/78/91/55/358789155.db2.gz YPAXVAYUWHQSRU-WDEREUQCSA-N 1 0 226.320 0.693 20 30 BCEDRO COCC#CC[NH2+][C@@](C)(COC)CC(=O)OC ZINC000611141236 358879656 /nfs/dbraw/zinc/87/96/56/358879656.db2.gz IEUSTSOSUHCCFC-GFCCVEGCSA-N 1 0 243.303 0.194 20 30 BCEDRO CCC#C[C@@H](C)N1CCO[C@H](C(=O)OC)C1 ZINC000611158386 358902835 /nfs/dbraw/zinc/90/28/35/358902835.db2.gz UJFLDSGNMFFKEF-MNOVXSKESA-N 1 0 225.288 0.662 20 30 BCEDRO NC(=[NH2+])NCCCOCCc1ccccc1 ZINC000060299159 358923935 /nfs/dbraw/zinc/92/39/35/358923935.db2.gz GEENZJVYVOFCQN-UHFFFAOYSA-N 1 0 221.304 0.909 20 30 BCEDRO N#CCCN1CC[NH+](C[C@H]2CCCOC2)CC1 ZINC000611175996 358935270 /nfs/dbraw/zinc/93/52/70/358935270.db2.gz RGDBMSIADBJIRJ-CYBMUJFWSA-N 1 0 237.347 0.944 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CCc1nnnn1C ZINC000308822140 491138473 /nfs/dbraw/zinc/13/84/73/491138473.db2.gz CICGWPNFPVNTFQ-SECBINFHSA-N 1 0 209.297 0.697 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CCc1nnnn1C ZINC000308822141 491138478 /nfs/dbraw/zinc/13/84/78/491138478.db2.gz CICGWPNFPVNTFQ-VIFPVBQESA-N 1 0 209.297 0.697 20 30 BCEDRO N#Cc1cccnc1N1CCC([NH2+]CCO)CC1 ZINC000611190130 359027438 /nfs/dbraw/zinc/02/74/38/359027438.db2.gz MTPMYQZJXVJPKQ-UHFFFAOYSA-N 1 0 246.314 0.504 20 30 BCEDRO CC[C@H](C)C[N@H+](CC)CC(=O)NCC#N ZINC000177856032 134303259 /nfs/dbraw/zinc/30/32/59/134303259.db2.gz IKFDMMGCKIGXNC-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C[C@H](CO)C[NH+]1CCN(CCC#N)CC1 ZINC000611236024 359189957 /nfs/dbraw/zinc/18/99/57/359189957.db2.gz BBZRCEWJZKKQDQ-NSHDSACASA-N 1 0 211.309 0.146 20 30 BCEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccc(C#N)nn1 ZINC000611299088 359304139 /nfs/dbraw/zinc/30/41/39/359304139.db2.gz NALMGINEPTZXEQ-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO N#CC1(CN2CC[NH+]([C@@H]3CCC[C@@H]3O)CC2)CC1 ZINC000611429581 359368031 /nfs/dbraw/zinc/36/80/31/359368031.db2.gz UJJNNEATEAUFIP-OLZOCXBDSA-N 1 0 249.358 0.821 20 30 BCEDRO C=CC1CC[NH+]([C@H]2CC(=O)NC2=O)CC1 ZINC000580461935 359568959 /nfs/dbraw/zinc/56/89/59/359568959.db2.gz KNEORGLDIDXBEZ-VIFPVBQESA-N 1 0 208.261 0.300 20 30 BCEDRO C=CCC1(C(=O)N[C@@H]2CC[NH2+]C2)CCOCC1 ZINC000424058577 192857518 /nfs/dbraw/zinc/85/75/18/192857518.db2.gz LNCXSQWCLIRYIK-LLVKDONJSA-N 1 0 238.331 0.837 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000628489162 359615105 /nfs/dbraw/zinc/61/51/05/359615105.db2.gz QJMBZDCHPBMAEW-VXGBXAGGSA-N 1 0 238.331 0.742 20 30 BCEDRO N#CCC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000397119661 359643218 /nfs/dbraw/zinc/64/32/18/359643218.db2.gz LWHUDHNGLHEIRP-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](C)S(C)(=O)=O ZINC000450823336 202275724 /nfs/dbraw/zinc/27/57/24/202275724.db2.gz VBUHOQBARNZELI-SECBINFHSA-N 1 0 205.323 0.927 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](O)COCCOC ZINC000450817696 202276342 /nfs/dbraw/zinc/27/63/42/202276342.db2.gz GLDIEBNHIYNIKK-NSHDSACASA-N 1 0 217.309 0.518 20 30 BCEDRO CNC(=O)CC[N@@H+]1CCC[C@](C)(C#N)C1 ZINC000612164525 359718285 /nfs/dbraw/zinc/71/82/85/359718285.db2.gz AZIFESLLEBUXSL-LLVKDONJSA-N 1 0 209.293 0.748 20 30 BCEDRO CNC(=O)CC[N@@H+]1CCC[C@@](C)(C#N)C1 ZINC000612164526 359718701 /nfs/dbraw/zinc/71/87/01/359718701.db2.gz AZIFESLLEBUXSL-NSHDSACASA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccc(C#N)cn1 ZINC000450950845 202318574 /nfs/dbraw/zinc/31/85/74/202318574.db2.gz DTWYNTJNZRHUEI-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO N#CCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000578524315 366590561 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/nfs/dbraw/zinc/62/32/34/366623234.db2.gz MJXYVWHOVXGBDL-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(CC)C1COC1 ZINC000451281243 202393212 /nfs/dbraw/zinc/39/32/12/202393212.db2.gz ACYWZMQWVDBVAN-UHFFFAOYSA-N 1 0 238.331 0.908 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CCOCC ZINC000451613506 202449886 /nfs/dbraw/zinc/44/98/86/202449886.db2.gz NPZCNRXWVYVISL-TUAOUCFPSA-N 1 0 229.320 0.707 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612892531 360163162 /nfs/dbraw/zinc/16/31/62/360163162.db2.gz UPDRVZHJBOLKOA-GFCCVEGCSA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCCOCC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614038943 363714009 /nfs/dbraw/zinc/71/40/09/363714009.db2.gz HKHLURUMYMRPKI-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614033733 363711206 /nfs/dbraw/zinc/71/12/06/363711206.db2.gz AHSDMHDXGXEQAX-LBPRGKRZSA-N 1 0 238.331 0.478 20 30 BCEDRO N#CCCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000097258913 360366343 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/nfs/dbraw/zinc/86/85/56/200868556.db2.gz JRANCNRFOQBRID-MNOVXSKESA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCN(C)C(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424179494 200877298 /nfs/dbraw/zinc/87/72/98/200877298.db2.gz TXSZTSQTYCFCIX-SNVBAGLBSA-N 1 0 249.318 0.461 20 30 BCEDRO C=C[C@@H](CO)[NH2+]C1CC(CC(=O)OC)C1 ZINC000424343999 200919101 /nfs/dbraw/zinc/91/91/01/200919101.db2.gz GMWNOIHEPUDBAM-KYHHOPLUSA-N 1 0 213.277 0.465 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@@H](C[NH3+])C2)C1 ZINC000424470634 200928969 /nfs/dbraw/zinc/92/89/69/200928969.db2.gz RCIDBNOONKDQTG-GARJFASQSA-N 1 0 236.319 0.669 20 30 BCEDRO CC#CCC[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000158724105 361209226 /nfs/dbraw/zinc/20/92/26/361209226.db2.gz LFUNQCJWOZWFRT-NSHDSACASA-N 1 0 211.305 0.872 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](CC)CCCO ZINC000160726620 361324760 /nfs/dbraw/zinc/32/47/60/361324760.db2.gz AUPBCCDATHUASJ-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1Cc1ncc(C#N)cn1 ZINC000579224444 366736918 /nfs/dbraw/zinc/73/69/18/366736918.db2.gz OAQNQWSXOVSHRR-LBPRGKRZSA-N 1 0 245.330 0.874 20 30 BCEDRO C=C[C@H](C)[NH2+][C@H](C)CS(=O)(=O)CC ZINC000162308348 361344288 /nfs/dbraw/zinc/34/42/88/361344288.db2.gz RQCJHXPVGKIYAO-DTWKUNHWSA-N 1 0 205.323 0.974 20 30 BCEDRO C=CCOCCCC(=O)N1CCC([NH3+])CC1 ZINC000428741359 201038790 /nfs/dbraw/zinc/03/87/90/201038790.db2.gz ZAVVFCYLLMGYFB-UHFFFAOYSA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000429281387 201088572 /nfs/dbraw/zinc/08/85/72/201088572.db2.gz BPXSCZVQRIMUMX-GHMZBOCLSA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCOCC(=O)N1CCC(C[NH2+]C)CC1 ZINC000429459633 201111248 /nfs/dbraw/zinc/11/12/48/201111248.db2.gz YNGLNPXAXIUXQX-UHFFFAOYSA-N 1 0 226.320 0.647 20 30 BCEDRO C[C@@H]1CC[C@@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC000429574700 201117078 /nfs/dbraw/zinc/11/70/78/201117078.db2.gz AZCJNXVXNLTKQX-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO COCCN1CC[NH+]([C@H]2CC[C@H](C#N)C2)CC1 ZINC000429711653 201127316 /nfs/dbraw/zinc/12/73/16/201127316.db2.gz QKXAGACSJGDSER-STQMWFEESA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCNC(=O)CN(CC)CC[N@H+](C)CC=C ZINC000429714543 201129529 /nfs/dbraw/zinc/12/95/29/201129529.db2.gz KZHSNUBLLMWKKW-UHFFFAOYSA-N 1 0 239.363 0.728 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000429773779 201131897 /nfs/dbraw/zinc/13/18/97/201131897.db2.gz RJVMMVWFQFAXLH-TUAOUCFPSA-N 1 0 240.347 0.818 20 30 BCEDRO C=CCN1CC[C@H](N(CC)CC[NH3+])C1=O ZINC000629558027 361451472 /nfs/dbraw/zinc/45/14/72/361451472.db2.gz OGZMQLCODFRZNQ-JTQLQIEISA-N 1 0 211.309 0.054 20 30 BCEDRO CCNC(=O)CC[N@H+](C)CC(C)(C)C#N ZINC000433307320 201180390 /nfs/dbraw/zinc/18/03/90/201180390.db2.gz VDGJXMGQDNYWQW-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C[N@H+](C[C@@H](O)Cn1cccn1)CC(C)(C)C#N ZINC000433309353 201180523 /nfs/dbraw/zinc/18/05/23/201180523.db2.gz YWIBTXHFBJTQFA-LLVKDONJSA-N 1 0 236.319 0.726 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@H]2CCCC(=O)N2)o1 ZINC000433199405 201169227 /nfs/dbraw/zinc/16/92/27/201169227.db2.gz LDRMAHZFQWHYRC-SECBINFHSA-N 1 0 233.271 0.910 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000613228150 361563318 /nfs/dbraw/zinc/56/33/18/361563318.db2.gz YACKZKPFHVGYRL-GUBZILKMSA-N 1 0 212.293 0.084 20 30 BCEDRO C=CCOCC(=O)N(C)[C@H]1CCC[NH2+]CC1 ZINC000435749278 201286889 /nfs/dbraw/zinc/28/68/89/201286889.db2.gz IYCMWSXHBNKQPL-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000155729420 201349915 /nfs/dbraw/zinc/34/99/15/201349915.db2.gz NVLRMHXQSZHXEF-JTQLQIEISA-N 1 0 230.333 0.023 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCCC[NH+]1CCCC1 ZINC000448594836 201383914 /nfs/dbraw/zinc/38/39/14/201383914.db2.gz DKTJVSXQRRULET-ZDUSSCGKSA-N 1 0 240.347 0.916 20 30 BCEDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000329188692 363899526 /nfs/dbraw/zinc/89/95/26/363899526.db2.gz PKGNVTHKUZKQQO-ZRUFSTJUSA-N 1 0 242.344 0.701 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614850646 364001558 /nfs/dbraw/zinc/00/15/58/364001558.db2.gz AJVDXAYXDZLEAF-GHMZBOCLSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614850647 364001933 /nfs/dbraw/zinc/00/19/33/364001933.db2.gz AJVDXAYXDZLEAF-MNOVXSKESA-N 1 0 228.336 0.627 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000614961023 364236840 /nfs/dbraw/zinc/23/68/40/364236840.db2.gz REWYXYOEWIMWTP-QWRGUYRKSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000614980668 364271076 /nfs/dbraw/zinc/27/10/76/364271076.db2.gz DOBXDKYTJOVPAT-VHSXEESVSA-N 1 0 214.309 0.378 20 30 BCEDRO C=CCNC(=O)Cn1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000630610074 364339918 /nfs/dbraw/zinc/33/99/18/364339918.db2.gz HVCILYSTCJNQCU-NSHDSACASA-N 1 0 237.307 0.236 20 30 BCEDRO C=CCn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000630588053 364295525 /nfs/dbraw/zinc/29/55/25/364295525.db2.gz BUSWZZYBJXRXKH-UHFFFAOYSA-N 1 0 218.264 0.168 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cccn1C ZINC000134229275 364396047 /nfs/dbraw/zinc/39/60/47/364396047.db2.gz BQHBXMJURRGZCA-UHFFFAOYSA-N 1 0 207.277 0.417 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](COC)C1CC1 ZINC000134403111 364403202 /nfs/dbraw/zinc/40/32/02/364403202.db2.gz KUGZAGWLDHDSLB-SNVBAGLBSA-N 1 0 212.293 0.303 20 30 BCEDRO CC[N@H+](C)CCNC(=O)[C@@](C)(C#N)CC ZINC000136240069 364466613 /nfs/dbraw/zinc/46/66/13/364466613.db2.gz YEIDRPQVDWSRRE-LLVKDONJSA-N 1 0 211.309 0.994 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)N(C)CC[NH+](C)C ZINC000136252634 364468029 /nfs/dbraw/zinc/46/80/29/364468029.db2.gz GJKXRLNGGBNXJT-NSHDSACASA-N 1 0 211.309 0.946 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](COC)C1CC1 ZINC000136616796 364474218 /nfs/dbraw/zinc/47/42/18/364474218.db2.gz ZZTZAXBSHAIIQH-GXSJLCMTSA-N 1 0 224.304 0.139 20 30 BCEDRO C=C[C@@H](CO)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000289913195 364768970 /nfs/dbraw/zinc/76/89/70/364768970.db2.gz ULRZIVYNUCGISS-YVNMAJEFSA-N 1 0 227.304 0.855 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ncc(F)cn1 ZINC000292702296 364773324 /nfs/dbraw/zinc/77/33/24/364773324.db2.gz GDJOYKCDOIKJCI-UHFFFAOYSA-N 1 0 222.267 0.983 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ncc([N+](=O)[O-])cn1 ZINC000292779921 364773652 /nfs/dbraw/zinc/77/36/52/364773652.db2.gz LRKZCXHLXBVPPC-UHFFFAOYSA-N 1 0 249.274 0.752 20 30 BCEDRO C=C(C)CN1CCC([NH2+]CCC(N)=O)CC1 ZINC000573556816 364858797 /nfs/dbraw/zinc/85/87/97/364858797.db2.gz FUFXAVFDBMQHJZ-UHFFFAOYSA-N 1 0 225.336 0.492 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NCCC[NH2+]CC ZINC000573942352 364941243 /nfs/dbraw/zinc/94/12/43/364941243.db2.gz LCKYLQHXRFROHL-LLVKDONJSA-N 1 0 243.351 0.612 20 30 BCEDRO C[C@H](CNC(=O)c1ccc(C#N)cn1)[NH+](C)C ZINC000104211796 541442757 /nfs/dbraw/zinc/44/27/57/541442757.db2.gz YIWYGOXFXPSUQA-SECBINFHSA-N 1 0 232.287 0.633 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C[C@H](O)COC ZINC000574193492 365008066 /nfs/dbraw/zinc/00/80/66/365008066.db2.gz XDHMQYLSIYAUOO-GRYCIOLGSA-N 1 0 229.320 0.565 20 30 BCEDRO C[C@@H](CCC#N)[NH+]1CCC(NC(N)=O)CC1 ZINC000574522687 365082481 /nfs/dbraw/zinc/08/24/81/365082481.db2.gz CRGMUWRIYZDDOQ-VIFPVBQESA-N 1 0 224.308 0.811 20 30 BCEDRO C#CCNC(=O)c1ccc2c(c1)C[NH2+]C2 ZINC000169147582 365084122 /nfs/dbraw/zinc/08/41/22/365084122.db2.gz SDBQIBCPYVZWDY-UHFFFAOYSA-N 1 0 200.241 0.653 20 30 BCEDRO C=CCN(CCOC)C[C@H](O)C[N@@H+](C)CC ZINC000574581316 365096218 /nfs/dbraw/zinc/09/62/18/365096218.db2.gz HPLMPGUCDNNHBH-GFCCVEGCSA-N 1 0 230.352 0.433 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]2CC[NH2+][C@@H]2C)nn1 ZINC000574755004 365135121 /nfs/dbraw/zinc/13/51/21/365135121.db2.gz SCUPGIGBVPYDRN-KOLCDFICSA-N 1 0 249.318 0.078 20 30 BCEDRO C=CCCC(=O)NC[C@@]1(O)C[NH+]2CCC1CC2 ZINC000574778212 365142847 /nfs/dbraw/zinc/14/28/47/365142847.db2.gz WTTIUNUMVHHLJL-CYBMUJFWSA-N 1 0 238.331 0.526 20 30 BCEDRO C=CCCC[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000172181113 365299527 /nfs/dbraw/zinc/29/95/27/365299527.db2.gz RXWAKAQLHAFTKZ-LBPRGKRZSA-N 1 0 226.320 0.790 20 30 BCEDRO CC[C@@H]1C[C@H]1C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000575377833 365305149 /nfs/dbraw/zinc/30/51/49/365305149.db2.gz NKAGTYQHKURMMM-AGIUHOORSA-N 1 0 239.363 0.828 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)[C@@H]2CCOC2)C1 ZINC000336690411 365355173 /nfs/dbraw/zinc/35/51/73/365355173.db2.gz WEMQHEDLQACDJT-WISYIIOYSA-N 1 0 224.304 0.666 20 30 BCEDRO CCCN1C[C@H](C[NH2+]CCC#N)CC1=O ZINC000579582716 366888860 /nfs/dbraw/zinc/88/88/60/366888860.db2.gz LGJUUHUYOVEJAH-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@@H]1CN(CCOCCC#N)C[C@H](C)[N@H+]1C ZINC000339622998 365469129 /nfs/dbraw/zinc/46/91/29/365469129.db2.gz KXEZIHZUMWCKGC-TXEJJXNPSA-N 1 0 225.336 0.941 20 30 BCEDRO N#CCCOCC[N@H+]1CCSC[C@H]1CO ZINC000339060315 365446002 /nfs/dbraw/zinc/44/60/02/365446002.db2.gz URVYLNZEKVTGBM-SNVBAGLBSA-N 1 0 230.333 0.326 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)C(C)(C)OC ZINC000340335994 365485835 /nfs/dbraw/zinc/48/58/35/365485835.db2.gz CRHVDRSBHIAXIL-VIFPVBQESA-N 1 0 214.309 0.692 20 30 BCEDRO C[NH2+]CCNC(=O)N1CCC(CCC#N)CC1 ZINC000576105845 365487577 /nfs/dbraw/zinc/48/75/77/365487577.db2.gz WRLDBSAWKOXXLV-UHFFFAOYSA-N 1 0 238.335 0.931 20 30 BCEDRO CC[N@H+](C)CCNC(=O)NC[C@H](C)C#N ZINC000182614343 366921946 /nfs/dbraw/zinc/92/19/46/366921946.db2.gz VICVZVNBDLJBEP-SECBINFHSA-N 1 0 212.297 0.397 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)NC[C@@H](C)C#N ZINC000182631659 366924751 /nfs/dbraw/zinc/92/47/51/366924751.db2.gz BIAJZRAITLFZDN-JTQLQIEISA-N 1 0 226.324 0.785 20 30 BCEDRO C[C@H](C#N)CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000182645015 366926284 /nfs/dbraw/zinc/92/62/84/366926284.db2.gz VVAXPJAJVNPYJZ-ZJUUUORDSA-N 1 0 238.335 0.928 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000182868612 366952586 /nfs/dbraw/zinc/95/25/86/366952586.db2.gz BRTDVFCKRUDVLM-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO C=CCCCCN1CCN(S(C)(=O)=O)CC1 ZINC000579673787 366959359 /nfs/dbraw/zinc/95/93/59/366959359.db2.gz AVSFZFDATHILHP-UHFFFAOYSA-N 1 0 246.376 0.920 20 30 BCEDRO C=CCOCC(=O)N1CCN(C)C[C@@H]1CC ZINC000579873537 367058036 /nfs/dbraw/zinc/05/80/36/367058036.db2.gz CWIOCZXPJMCTLD-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCOCC(=O)N1CCN(C)C[C@H]1CC ZINC000579873536 367058146 /nfs/dbraw/zinc/05/81/46/367058146.db2.gz CWIOCZXPJMCTLD-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000368562232 367112787 /nfs/dbraw/zinc/11/27/87/367112787.db2.gz OHOLMRLQOLQQQL-WPRPVWTQSA-N 1 0 200.257 0.769 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185641930 367138702 /nfs/dbraw/zinc/13/87/02/367138702.db2.gz BEFBALTWMBAGBH-JTQLQIEISA-N 1 0 238.335 0.882 20 30 BCEDRO CC#CC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000368497846 367097185 /nfs/dbraw/zinc/09/71/85/367097185.db2.gz BWIKBKRWIFHVAB-JQWIXIFHSA-N 1 0 206.289 0.657 20 30 BCEDRO N#CCC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000580770281 367160577 /nfs/dbraw/zinc/16/05/77/367160577.db2.gz WPHSLFDFUYONBK-GXSJLCMTSA-N 1 0 207.277 0.547 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)COCCOC ZINC000581140447 367276100 /nfs/dbraw/zinc/27/61/00/367276100.db2.gz MOVCDVOKEPHGND-MNOVXSKESA-N 1 0 230.308 0.292 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)CCOCC ZINC000581191131 367289742 /nfs/dbraw/zinc/28/97/42/367289742.db2.gz MBGJXWMTSUBKIN-WDEREUQCSA-N 1 0 217.309 0.301 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N[C@]2(C#N)CCOC2)C1 ZINC000581201336 367294051 /nfs/dbraw/zinc/29/40/51/367294051.db2.gz VKGJCULBCDAWGH-PWSUYJOCSA-N 1 0 237.303 0.127 20 30 BCEDRO C=CCOCC(=O)NCCC[NH2+]C(C)C ZINC000381583708 367432744 /nfs/dbraw/zinc/43/27/44/367432744.db2.gz GKXAHJRCRMHZDG-UHFFFAOYSA-N 1 0 214.309 0.693 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CCO[C@H]1C ZINC000383045333 367591197 /nfs/dbraw/zinc/59/11/97/367591197.db2.gz IQLCYAUWVQVXJK-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C=CC(C)(C)C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000384814023 367736601 /nfs/dbraw/zinc/73/66/01/367736601.db2.gz AONRJSACCJDTRA-LBPRGKRZSA-N 1 0 242.363 0.481 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000384958739 367765779 /nfs/dbraw/zinc/76/57/79/367765779.db2.gz RHXMETOKUWNMPO-NWDGAFQWSA-N 1 0 240.347 0.866 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)CCC(=O)OCC)C(C)C ZINC000385540219 367842344 /nfs/dbraw/zinc/84/23/44/367842344.db2.gz LKYKQFLQTUVVMS-NWDGAFQWSA-N 1 0 241.331 0.938 20 30 BCEDRO CCN(CCC#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000386209644 367932174 /nfs/dbraw/zinc/93/21/74/367932174.db2.gz HEICHQSJTINIDF-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H](C)[C@H](C)O)nn1 ZINC000581938903 367966129 /nfs/dbraw/zinc/96/61/29/367966129.db2.gz AQSFPRBYSSUXAE-BDAKNGLRSA-N 1 0 210.281 0.323 20 30 BCEDRO C[NH+](C)CCCNC(=O)N1CC[C@](F)(C#N)C1 ZINC000615573503 368109056 /nfs/dbraw/zinc/10/90/56/368109056.db2.gz RQHNNNVMHPLPJR-NSHDSACASA-N 1 0 242.298 0.585 20 30 BCEDRO C=CCNC(=O)NC(=O)CN(CC=C)CC=C ZINC000046703770 368447480 /nfs/dbraw/zinc/44/74/80/368447480.db2.gz OZHGPQCQRNMSGF-UHFFFAOYSA-N 1 0 237.303 0.672 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CC[C@](F)(C#N)C1 ZINC000615825835 368462340 /nfs/dbraw/zinc/46/23/40/368462340.db2.gz SZNIAXPKYKLASX-NSHDSACASA-N 1 0 227.283 0.791 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccc(OC)c1 ZINC000064615566 368609091 /nfs/dbraw/zinc/60/90/91/368609091.db2.gz NDJNEVYFASCIQM-UHFFFAOYSA-N 1 0 246.310 0.924 20 30 BCEDRO N#CCC[C@H](C#N)C[NH2+]C[C@H](O)C1CC1 ZINC000567111171 326117486 /nfs/dbraw/zinc/11/74/86/326117486.db2.gz MAPXBEUPIPVFMI-KOLCDFICSA-N 1 0 207.277 0.790 20 30 BCEDRO CCNC(NCCn1ccnc1)=[NH+]CC ZINC000066244994 368642354 /nfs/dbraw/zinc/64/23/54/368642354.db2.gz DNFNJFNGPIIMNL-UHFFFAOYSA-N 1 0 209.297 0.458 20 30 BCEDRO CCN1C[C@@H](NC[C@H](C#N)CCC#N)CC1=O ZINC000567161168 326126090 /nfs/dbraw/zinc/12/60/90/326126090.db2.gz OITNYKUVKKTSJX-QWRGUYRKSA-N 1 0 234.303 0.640 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)C#N)CC1 ZINC000068081205 368712776 /nfs/dbraw/zinc/71/27/76/368712776.db2.gz MBFPMAWCBWLSDW-GFCCVEGCSA-N 1 0 247.342 0.950 20 30 BCEDRO N#CCCN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069803149 368759943 /nfs/dbraw/zinc/75/99/43/368759943.db2.gz FXHLIALRFPTINO-ZDUSSCGKSA-N 1 0 237.347 0.944 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000615984360 368854109 /nfs/dbraw/zinc/85/41/09/368854109.db2.gz FCEDAZYDECVKDP-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000615984457 368854531 /nfs/dbraw/zinc/85/45/31/368854531.db2.gz LBDRHHIKEZLHGT-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCN(CC=C)C(=O)c1cn(CC[NH3+])nn1 ZINC000089698391 368949253 /nfs/dbraw/zinc/94/92/53/368949253.db2.gz AGUPZEYGTNDWPH-UHFFFAOYSA-N 1 0 235.291 0.051 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000618887475 369234374 /nfs/dbraw/zinc/23/43/74/369234374.db2.gz ZWKLUSCDKNMZGC-VHSXEESVSA-N 1 0 225.292 0.112 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000618982504 369252178 /nfs/dbraw/zinc/25/21/78/369252178.db2.gz DOIMFTRMBPGZKL-NEPJUHHUSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCCC[N@@H+](C)CCN1C(=O)N[C@@H](C)C1=O ZINC000459361631 203266788 /nfs/dbraw/zinc/26/67/88/203266788.db2.gz GXCJOFOPKODVGR-JTQLQIEISA-N 1 0 239.319 0.825 20 30 BCEDRO N#Cc1cncc(NC[C@@H]2CCCC[NH2+]2)n1 ZINC000401472471 369365065 /nfs/dbraw/zinc/36/50/65/369365065.db2.gz AKWPHYGMUAQMQI-VIFPVBQESA-N 1 0 217.276 0.902 20 30 BCEDRO N#Cc1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cc1 ZINC000405412781 369459967 /nfs/dbraw/zinc/45/99/67/369459967.db2.gz VBAOIKJQIQXVTI-UONOGXRCSA-N 1 0 243.310 0.813 20 30 BCEDRO C[C@H](C(=O)Nc1cccc(C#N)c1)N(C)CCO ZINC000037855266 369474284 /nfs/dbraw/zinc/47/42/84/369474284.db2.gz WLZMYHSYUXBQJH-SNVBAGLBSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@H]([NH3+])C[C@H]2C)C1=O ZINC000631862300 369504619 /nfs/dbraw/zinc/50/46/19/369504619.db2.gz NUULVFJLJOPOJF-MXWKQRLJSA-N 1 0 223.320 0.195 20 30 BCEDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000619655523 369508982 /nfs/dbraw/zinc/50/89/82/369508982.db2.gz SVGZETNBBJUKQH-JOYOIKCWSA-N 1 0 244.298 0.567 20 30 BCEDRO CC(C)C[C@H](C#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000260196746 370983574 /nfs/dbraw/zinc/98/35/74/370983574.db2.gz VESBJUKESSGVLE-GHMZBOCLSA-N 1 0 223.320 0.993 20 30 BCEDRO C=C(C)CC[N@H+](CCO)CCOCCO ZINC000459783025 203367153 /nfs/dbraw/zinc/36/71/53/203367153.db2.gz IBJWZBOHFFBQHL-UHFFFAOYSA-N 1 0 217.309 0.256 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)C[C@H]1CCC[C@@H]1O ZINC000619719899 369549890 /nfs/dbraw/zinc/54/98/90/369549890.db2.gz LMUDJKNNNHUQKH-MXWKQRLJSA-N 1 0 227.304 0.807 20 30 BCEDRO C[NH2+][C@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000600769709 369561045 /nfs/dbraw/zinc/56/10/45/369561045.db2.gz YRCMEBXPVNRBTC-VIFPVBQESA-N 1 0 205.261 0.945 20 30 BCEDRO N#Cc1ccc(CNC[C@@H]([NH3+])C2CC2)o1 ZINC000600769025 369562516 /nfs/dbraw/zinc/56/25/16/369562516.db2.gz JMEVASSVWPRSBK-LLVKDONJSA-N 1 0 205.261 0.978 20 30 BCEDRO N#Cc1ccc(CN2CCC[NH2+]CC2)o1 ZINC000600768979 369564807 /nfs/dbraw/zinc/56/48/07/369564807.db2.gz MWAYEGMQKKNDER-UHFFFAOYSA-N 1 0 205.261 0.947 20 30 BCEDRO N#Cc1ccc(CN[C@@H]2CCC[NH2+]C2)o1 ZINC000600769837 369564910 /nfs/dbraw/zinc/56/49/10/369564910.db2.gz SNKBXRAZXXBYIA-SECBINFHSA-N 1 0 205.261 0.993 20 30 BCEDRO N#Cc1cncc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000600884245 369571890 /nfs/dbraw/zinc/57/18/90/369571890.db2.gz CROBPCMLFYIDAM-DTORHVGOSA-N 1 0 215.260 0.289 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1Nc1cc(C#N)ncn1 ZINC000600956399 369578467 /nfs/dbraw/zinc/57/84/67/369578467.db2.gz BZUFSWJTDAJPGK-IONNQARKSA-N 1 0 203.249 0.511 20 30 BCEDRO N#Cc1cccnc1-n1cc(C[NH2+]C2CC2)nn1 ZINC000600976302 369582423 /nfs/dbraw/zinc/58/24/23/369582423.db2.gz MONZLHGRUVVJNK-UHFFFAOYSA-N 1 0 240.270 0.786 20 30 BCEDRO C[NH2+]C(C)(C)c1cn(-c2ncccc2C#N)nn1 ZINC000600976922 369583772 /nfs/dbraw/zinc/58/37/72/369583772.db2.gz WSTVOYQTBRXJRA-UHFFFAOYSA-N 1 0 242.286 0.988 20 30 BCEDRO N#Cc1cncc(N2CC([NH+]3CCCC3)C2)n1 ZINC000601193236 369603549 /nfs/dbraw/zinc/60/35/49/369603549.db2.gz DBAMZWHBOAGUJI-UHFFFAOYSA-N 1 0 229.287 0.633 20 30 BCEDRO C[NH+](C)CCCCC(=O)Nc1n[nH]cc1C#N ZINC000601641091 369651330 /nfs/dbraw/zinc/65/13/30/369651330.db2.gz NXXPUEKVQQGTJS-UHFFFAOYSA-N 1 0 235.291 0.952 20 30 BCEDRO C[C@@]1(F)C[NH2+]CCN(c2cc(C#N)ncn2)C1 ZINC000601980537 369731123 /nfs/dbraw/zinc/73/11/23/369731123.db2.gz MTZZSPHALVLDRN-LLVKDONJSA-N 1 0 235.266 0.486 20 30 BCEDRO N#Cc1nccc(N2CC[C@@H](F)[C@H]([NH3+])C2)n1 ZINC000601983829 369731829 /nfs/dbraw/zinc/73/18/29/369731829.db2.gz OZPCNNAORHLPSQ-HTQZYQBOSA-N 1 0 221.239 0.224 20 30 BCEDRO N#Cc1nccc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000601984574 369731866 /nfs/dbraw/zinc/73/18/66/369731866.db2.gz SLCTXNWWLPDYPV-GHMZBOCLSA-N 1 0 243.314 0.927 20 30 BCEDRO CN1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CC1=O ZINC000602526367 369805380 /nfs/dbraw/zinc/80/53/80/369805380.db2.gz JXRMTKXDMWPPML-NSHDSACASA-N 1 0 230.271 0.274 20 30 BCEDRO C[C@H](CO)C[NH2+]Cc1cccc(C#N)n1 ZINC000602521830 369805435 /nfs/dbraw/zinc/80/54/35/369805435.db2.gz SDFXESNUWZPKQQ-VIFPVBQESA-N 1 0 205.261 0.671 20 30 BCEDRO CNC(=O)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602532236 369808616 /nfs/dbraw/zinc/80/86/16/369808616.db2.gz SACRRKHGCJMZLI-UHFFFAOYSA-N 1 0 218.260 0.179 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@]2(O)CCSC2)n1 ZINC000602573797 369816319 /nfs/dbraw/zinc/81/63/19/369816319.db2.gz UZUIDAXCKJTQOD-GFCCVEGCSA-N 1 0 249.339 0.911 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@H]2C=C[C@H](CO)C2)n1 ZINC000602588576 369818529 /nfs/dbraw/zinc/81/85/29/369818529.db2.gz OIEICTGOOYKNBA-WDEREUQCSA-N 1 0 229.283 0.980 20 30 BCEDRO CNC(=O)C[C@@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602685083 369841085 /nfs/dbraw/zinc/84/10/85/369841085.db2.gz XWCSMSUJNKPGTC-SECBINFHSA-N 1 0 232.287 0.567 20 30 BCEDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cccc(C#N)n1 ZINC000602640940 369833742 /nfs/dbraw/zinc/83/37/42/369833742.db2.gz SMXIENHIHBGIRB-MFKMUULPSA-N 1 0 247.298 0.583 20 30 BCEDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cccc(C#N)n1 ZINC000602640931 369834030 /nfs/dbraw/zinc/83/40/30/369834030.db2.gz SMXIENHIHBGIRB-GWCFXTLKSA-N 1 0 247.298 0.583 20 30 BCEDRO CCOC1CC(C[NH2+]CCn2cnc(C#N)n2)C1 ZINC000602652937 369835510 /nfs/dbraw/zinc/83/55/10/369835510.db2.gz FJRRAAQHNTWFTM-UHFFFAOYSA-N 1 0 249.318 0.554 20 30 BCEDRO COCC[C@H](CO)[NH2+]Cc1cccc(C#N)n1 ZINC000602656062 369835613 /nfs/dbraw/zinc/83/56/13/369835613.db2.gz LMUMPQVOOFACPC-GFCCVEGCSA-N 1 0 235.287 0.440 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000620219873 369776417 /nfs/dbraw/zinc/77/64/17/369776417.db2.gz CJYKHXCBRIQVET-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](C(N)=O)C2)n1 ZINC000602427186 369786857 /nfs/dbraw/zinc/78/68/57/369786857.db2.gz DJHAFNYFGOJSLA-SECBINFHSA-N 1 0 230.271 0.260 20 30 BCEDRO CN(C(=O)Cc1ccc(C#N)nc1)[C@H]1CC[NH2+]C1 ZINC000602428081 369786884 /nfs/dbraw/zinc/78/68/84/369786884.db2.gz DWJUOKCRKVQWIW-LBPRGKRZSA-N 1 0 244.298 0.316 20 30 BCEDRO CC(C)[C@@H]([NH3+])CNC(=O)Cc1ccc(C#N)nc1 ZINC000602436174 369788088 /nfs/dbraw/zinc/78/80/88/369788088.db2.gz XXCOKRCHOWXILS-LBPRGKRZSA-N 1 0 246.314 0.595 20 30 BCEDRO CN(CCC[NH3+])C(=O)Cc1ccc(C#N)nc1 ZINC000602434667 369788716 /nfs/dbraw/zinc/78/87/16/369788716.db2.gz PYEOIFLCKVXYTM-UHFFFAOYSA-N 1 0 232.287 0.303 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CCC[C@H]2CO)n1 ZINC000602450177 369789775 /nfs/dbraw/zinc/78/97/75/369789775.db2.gz VGFWIOXCUZMCMJ-LBPRGKRZSA-N 1 0 217.272 0.910 20 30 BCEDRO C[C@H](CC[NH3+])NC(=O)Cc1ccc(C#N)nc1 ZINC000602480563 369794604 /nfs/dbraw/zinc/79/46/04/369794604.db2.gz CXSOCYSLYAHTED-SECBINFHSA-N 1 0 232.287 0.349 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602483632 369794856 /nfs/dbraw/zinc/79/48/56/369794856.db2.gz JJJPYEIFQFADNF-JTQLQIEISA-N 1 0 246.314 0.767 20 30 BCEDRO CN(Cc1cccc(C#N)n1)[C@@H]1CCNC1=O ZINC000602491684 369795882 /nfs/dbraw/zinc/79/58/82/369795882.db2.gz CYSZRYZOALSOII-LLVKDONJSA-N 1 0 230.271 0.274 20 30 BCEDRO CC[C@H]([NH3+])CNC(=O)Cc1ccc(C#N)nc1 ZINC000602493450 369796095 /nfs/dbraw/zinc/79/60/95/369796095.db2.gz ALYIJAPXIRUSRT-JTQLQIEISA-N 1 0 232.287 0.349 20 30 BCEDRO CC(C)(CC[NH3+])NC(=O)Cc1ccc(C#N)nc1 ZINC000602508077 369799104 /nfs/dbraw/zinc/79/91/04/369799104.db2.gz LGTKPUJAKBKXMW-UHFFFAOYSA-N 1 0 246.314 0.739 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@H](O)C2)n1 ZINC000602717625 369847695 /nfs/dbraw/zinc/84/76/95/369847695.db2.gz PLGZCEWKQGQCMT-XYPYZODXSA-N 1 0 203.245 0.566 20 30 BCEDRO COC[C@](C)(CO)[NH2+]Cc1ccnc(C#N)c1 ZINC000602932601 369866515 /nfs/dbraw/zinc/86/65/15/369866515.db2.gz QIYJUGQWYDTLMA-LBPRGKRZSA-N 1 0 235.287 0.440 20 30 BCEDRO C[NH2+][C@H](C)c1cn(Cc2ccc(C#N)cn2)nn1 ZINC000603224459 369899792 /nfs/dbraw/zinc/89/97/92/369899792.db2.gz ZKXFUKFWGKKMGH-SECBINFHSA-N 1 0 242.286 0.873 20 30 BCEDRO CC(=O)NCCN(C)Cc1cccc(C#N)n1 ZINC000602696945 369842569 /nfs/dbraw/zinc/84/25/69/369842569.db2.gz NDWARKGSFYGVEC-UHFFFAOYSA-N 1 0 232.287 0.521 20 30 BCEDRO Cc1nc(C(=O)NCC[C@H](C)[NH3+])ccc1C#N ZINC000568148343 326312956 /nfs/dbraw/zinc/31/29/56/326312956.db2.gz SHNUDZAHWNUOJJ-QMMMGPOBSA-N 1 0 232.287 0.729 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621159326 370131263 /nfs/dbraw/zinc/13/12/63/370131263.db2.gz IVSCOVGRZSSMHA-ZYHUDNBSSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CC[N@@H+](CCS(=O)(=O)NC)C(C)(C)C ZINC000621321446 370249770 /nfs/dbraw/zinc/24/97/70/370249770.db2.gz IGSOYJFTEHLLMB-UHFFFAOYSA-N 1 0 234.365 0.822 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621370208 370306430 /nfs/dbraw/zinc/30/64/30/370306430.db2.gz DRNYXLUUOVKOBI-RYUDHWBXSA-N 1 0 211.305 0.587 20 30 BCEDRO N#Cc1cncnc1N1CC[NH+](CC2CC2)CC1 ZINC000310635092 370359471 /nfs/dbraw/zinc/35/94/71/370359471.db2.gz QACZZKNVODTHKK-UHFFFAOYSA-N 1 0 243.314 0.880 20 30 BCEDRO C=C(CC)C[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC000313482332 370589843 /nfs/dbraw/zinc/58/98/43/370589843.db2.gz MRMRDNKKXRJXQB-RYUDHWBXSA-N 1 0 231.336 0.955 20 30 BCEDRO CC(C)[N@@H+](C)C[C@@H](C)Nc1ccnc(C#N)n1 ZINC000393823095 371531848 /nfs/dbraw/zinc/53/18/48/371531848.db2.gz BOVRNGHDKFBJPA-SNVBAGLBSA-N 1 0 233.319 0.911 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCN2CC[C@@H](O)C2)n1 ZINC000602722882 371831873 /nfs/dbraw/zinc/83/18/73/371831873.db2.gz BJPLBVOEYPYAAH-CYBMUJFWSA-N 1 0 246.314 0.109 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000602728160 371834760 /nfs/dbraw/zinc/83/47/60/371834760.db2.gz YTSOYWPNJFOWNF-ZDUSSCGKSA-N 1 0 246.314 0.373 20 30 BCEDRO Cc1cc(C#N)ccc1C[NH2+]C(CO)CO ZINC000229143149 372122709 /nfs/dbraw/zinc/12/27/09/372122709.db2.gz RCZKMLLBGLTSND-UHFFFAOYSA-N 1 0 220.272 0.310 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@H]2COCCO2)cc1C#N ZINC000232314883 372123333 /nfs/dbraw/zinc/12/33/33/372123333.db2.gz OPQLVZLLGZGCOM-GFCCVEGCSA-N 1 0 235.287 0.402 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc(CCOC)s1 ZINC000631178337 372219400 /nfs/dbraw/zinc/21/94/00/372219400.db2.gz XCJOBBFLYWUKBL-SECBINFHSA-N 1 0 242.344 0.969 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1C[C@H]([NH3+])C[C@H]1C ZINC000631858419 372657719 /nfs/dbraw/zinc/65/77/19/372657719.db2.gz YJZWLVCQJMATHP-VXGBXAGGSA-N 1 0 237.347 0.609 20 30 BCEDRO C=CCNC(=O)CN1CCCCC[C@H]([NH3+])C1 ZINC000631831767 372616686 /nfs/dbraw/zinc/61/66/86/372616686.db2.gz OHSPAYBAXCZFQN-NSHDSACASA-N 1 0 225.336 0.492 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631855548 372654767 /nfs/dbraw/zinc/65/47/67/372654767.db2.gz LXCGMHDUVINJRQ-GARJFASQSA-N 1 0 223.320 0.113 20 30 BCEDRO C=CCCS(=O)(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631981206 372712576 /nfs/dbraw/zinc/71/25/76/372712576.db2.gz XOZUASPLOUYWQQ-MNOVXSKESA-N 1 0 244.360 0.624 20 30 BCEDRO C=C[C@H](C)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632092439 372755392 /nfs/dbraw/zinc/75/53/92/372755392.db2.gz CXKFNJVZRUWHQL-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO CC#CCCNS(=O)(=O)CCC[NH+](C)C ZINC000632188083 372798584 /nfs/dbraw/zinc/79/85/84/372798584.db2.gz LBMRHOMODZMEBX-UHFFFAOYSA-N 1 0 232.349 0.271 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000632489075 372969120 /nfs/dbraw/zinc/96/91/20/372969120.db2.gz ZJLUJXACWQIWGO-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000632861526 373197361 /nfs/dbraw/zinc/19/73/61/373197361.db2.gz SJVLZSMKQWKKQP-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)CCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000633018945 373253355 /nfs/dbraw/zinc/25/33/55/373253355.db2.gz XTJYNRLJFFDUKQ-QWRGUYRKSA-N 1 0 241.335 0.710 20 30 BCEDRO C=C(C)CCNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000633018946 373253655 /nfs/dbraw/zinc/25/36/55/373253655.db2.gz XTJYNRLJFFDUKQ-WDEREUQCSA-N 1 0 241.335 0.710 20 30 BCEDRO C=C(CC)CNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000633716348 373700866 /nfs/dbraw/zinc/70/08/66/373700866.db2.gz WYFDSMLJNIMYAD-WDEREUQCSA-N 1 0 241.335 0.710 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@H]2CCC[C@@H](C#N)C2)n1 ZINC000287505127 205780076 /nfs/dbraw/zinc/78/00/76/205780076.db2.gz NXXANFWEHTWQNT-MNOVXSKESA-N 1 0 244.302 0.822 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634125689 373970616 /nfs/dbraw/zinc/97/06/16/373970616.db2.gz USGOBEJOCVJZBK-LLVKDONJSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCOC[C@@H]1C ZINC000192125941 205904844 /nfs/dbraw/zinc/90/48/44/205904844.db2.gz SVOIOKDIWMFAMC-UWVGGRQHSA-N 1 0 212.293 0.303 20 30 BCEDRO C=C(C)C[N@H+](CC)CCCS(N)(=O)=O ZINC000172152409 206004441 /nfs/dbraw/zinc/00/44/41/206004441.db2.gz XZYQVHDQUUJHHZ-UHFFFAOYSA-N 1 0 220.338 0.563 20 30 BCEDRO C=CCN(CC=C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418389800 206018010 /nfs/dbraw/zinc/01/80/10/206018010.db2.gz UEJINBPWDHXMTR-SNVBAGLBSA-N 1 0 209.293 0.732 20 30 BCEDRO CSC[C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424129461 206031380 /nfs/dbraw/zinc/03/13/80/206031380.db2.gz RXICBZBJOUTZIQ-RKDXNWHRSA-N 1 0 229.349 0.875 20 30 BCEDRO C=CCn1cc(CN[C@@H](C)C[C@@H](C)[NH3+])nn1 ZINC000424378669 206040266 /nfs/dbraw/zinc/04/02/66/206040266.db2.gz OANBWGLJILULJV-ZJUUUORDSA-N 1 0 223.324 0.680 20 30 BCEDRO C=CCNC(=O)C[NH2+]C(C)(C)CN(C)C ZINC000459541225 206134495 /nfs/dbraw/zinc/13/44/95/206134495.db2.gz SPJKMGHYKOYCMO-UHFFFAOYSA-N 1 0 213.325 0.218 20 30 BCEDRO C=CCCS(=O)(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000178933479 134313792 /nfs/dbraw/zinc/31/37/92/134313792.db2.gz BFYMTFLPDNQLBY-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO CCCNC(=[NH2+])NCc1cnn(CCOC)c1 ZINC000283811954 169183603 /nfs/dbraw/zinc/18/36/03/169183603.db2.gz OVDNWEZJGFDBKG-UHFFFAOYSA-N 1 0 239.323 0.344 20 30 BCEDRO C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CC1 ZINC000298630372 383971412 /nfs/dbraw/zinc/97/14/12/383971412.db2.gz QLDUWPAGTOMWFT-LLVKDONJSA-N 1 0 208.305 0.951 20 30 BCEDRO CN(Cc1ccccc1C#N)[C@@H]1COC[C@H]1O ZINC000285574089 384022510 /nfs/dbraw/zinc/02/25/10/384022510.db2.gz NWVBMZFOVICIEI-CHWSQXEVSA-N 1 0 232.283 0.750 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CO ZINC000049751338 384031009 /nfs/dbraw/zinc/03/10/09/384031009.db2.gz VQLRSVNDXPEAPR-JTQLQIEISA-N 1 0 212.293 0.135 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000078724257 384077619 /nfs/dbraw/zinc/07/76/19/384077619.db2.gz GLRKKLOZXBXAHE-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO C=C[C@H](C)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000643704053 384079358 /nfs/dbraw/zinc/07/93/58/384079358.db2.gz IZOZQXAMWMCBIR-VHSXEESVSA-N 1 0 249.318 0.507 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[NH2+][C@H](C)C2)nn1 ZINC000648128874 384081501 /nfs/dbraw/zinc/08/15/01/384081501.db2.gz VYZYPYPNKGTUQM-NXEZZACHSA-N 1 0 249.318 0.334 20 30 BCEDRO C=CCOCCNC[C@H](O)C[NH+]1CCCC1 ZINC000304250882 384114025 /nfs/dbraw/zinc/11/40/25/384114025.db2.gz QXJLEBFTDVOFNE-LBPRGKRZSA-N 1 0 228.336 0.235 20 30 BCEDRO CC(C)[N@H+](C)CCCNC(=O)[C@H](C)C#N ZINC000227770339 134394059 /nfs/dbraw/zinc/39/40/59/134394059.db2.gz SWKRJGRWPGQMPT-SNVBAGLBSA-N 1 0 211.309 0.993 20 30 BCEDRO CCOCCN1CCCC[C@@H]1/C(N)=N/O ZINC000079812372 384153929 /nfs/dbraw/zinc/15/39/29/384153929.db2.gz WFBSVGCZEBVSBW-SECBINFHSA-N 1 0 215.297 0.624 20 30 BCEDRO N#CCC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000408033790 384175899 /nfs/dbraw/zinc/17/58/99/384175899.db2.gz PQFAPTGHIRLAFN-QWRGUYRKSA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCC[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000376027823 533047526 /nfs/dbraw/zinc/04/75/26/533047526.db2.gz HBNBVOISZRRCTG-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCCO[C@@H]2CCC[C@H]21 ZINC000363412595 134398461 /nfs/dbraw/zinc/39/84/61/134398461.db2.gz QXKIVACJRFBVPA-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1CCCC[NH2+]1 ZINC000157657106 384237676 /nfs/dbraw/zinc/23/76/76/384237676.db2.gz JXJVZUAGRDVIJX-MRVPVSSYSA-N 1 0 202.685 0.997 20 30 BCEDRO C#CCC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000368580232 533049867 /nfs/dbraw/zinc/04/98/67/533049867.db2.gz MJONXXRAMXRQGG-ZDUSSCGKSA-N 1 0 222.332 0.806 20 30 BCEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1COC[C@H]1O ZINC000285873666 384226876 /nfs/dbraw/zinc/22/68/76/384226876.db2.gz JCFYMMLQDBGEAW-CHWSQXEVSA-N 1 0 232.283 0.750 20 30 BCEDRO C#CCN1CCC([N@@H+](C)C[C@@H](C)O)CC1 ZINC000490631286 384282460 /nfs/dbraw/zinc/28/24/60/384282460.db2.gz UNWTVHSNBLRODR-LLVKDONJSA-N 1 0 210.321 0.397 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000300077168 384292259 /nfs/dbraw/zinc/29/22/59/384292259.db2.gz ZAXOPSBGBSSSBQ-NXEZZACHSA-N 1 0 207.277 0.501 20 30 BCEDRO C#CCC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000367012682 533053864 /nfs/dbraw/zinc/05/38/64/533053864.db2.gz CTXYOIBRSBQHTB-UHFFFAOYSA-N 1 0 209.289 0.891 20 30 BCEDRO C#CCC[N@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000373793977 533056953 /nfs/dbraw/zinc/05/69/53/533056953.db2.gz YRDVNHKTYFOULL-RYUDHWBXSA-N 1 0 209.289 0.890 20 30 BCEDRO C[C@@H]1C[N@H+](CCCSCC#N)C[C@@H](CO)O1 ZINC000248892366 384403817 /nfs/dbraw/zinc/40/38/17/384403817.db2.gz ZFTRATKODZGJSO-MNOVXSKESA-N 1 0 244.360 0.715 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@@H](C)OC ZINC000490876402 384454269 /nfs/dbraw/zinc/45/42/69/384454269.db2.gz UHUXSYKEMGCIIM-MNOVXSKESA-N 1 0 225.288 0.662 20 30 BCEDRO C[C@@H](CO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600738348 384432443 /nfs/dbraw/zinc/43/24/43/384432443.db2.gz JXLXQBOWXNAPHL-NXEZZACHSA-N 1 0 212.293 0.259 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000159729144 384482199 /nfs/dbraw/zinc/48/21/99/384482199.db2.gz YVMOSHOAMXWCFK-LBPRGKRZSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[N@H+](CC)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000490926012 384501451 /nfs/dbraw/zinc/50/14/51/384501451.db2.gz ZIGSDONCUHCUNX-BETUJISGSA-N 1 0 222.332 0.805 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000517778279 384506779 /nfs/dbraw/zinc/50/67/79/384506779.db2.gz TURHNHNXWVNQEQ-QWRGUYRKSA-N 1 0 244.360 0.308 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000292972980 384535344 /nfs/dbraw/zinc/53/53/44/384535344.db2.gz ASFIRKNQZNMTQV-NSHDSACASA-N 1 0 226.320 0.383 20 30 BCEDRO C=CCn1cc(C(=O)N(C)[C@@H](C[NH3+])C2CC2)nn1 ZINC000648176947 384513677 /nfs/dbraw/zinc/51/36/77/384513677.db2.gz UZYOOJIWYJAQBR-NSHDSACASA-N 1 0 249.318 0.273 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000643841329 384515680 /nfs/dbraw/zinc/51/56/80/384515680.db2.gz UOUGEGUOFLSBKZ-GHMZBOCLSA-N 1 0 226.320 0.965 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000292972974 384533830 /nfs/dbraw/zinc/53/38/30/384533830.db2.gz ASFIRKNQZNMTQV-LLVKDONJSA-N 1 0 226.320 0.383 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000151182980 384550673 /nfs/dbraw/zinc/55/06/73/384550673.db2.gz MYLRDEWIJRHEJP-RYUDHWBXSA-N 1 0 235.331 0.745 20 30 BCEDRO C=CCCOCC[NH2+]C[C@H](O)COC ZINC000231822188 259653543 /nfs/dbraw/zinc/65/35/43/259653543.db2.gz RTOZJXRIAOFTEW-JTQLQIEISA-N 1 0 203.282 0.176 20 30 BCEDRO CCC[C@@]1([NH2+]CC(=O)NCC#N)CCOC1 ZINC000309729020 384560007 /nfs/dbraw/zinc/56/00/07/384560007.db2.gz ZARQHSLCHBSVBS-LLVKDONJSA-N 1 0 225.292 0.175 20 30 BCEDRO COC[C@@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000234868820 384569461 /nfs/dbraw/zinc/56/94/61/384569461.db2.gz VJRGNGXFBIYCBX-MRVPVSSYSA-N 1 0 226.301 0.717 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000491760654 384583343 /nfs/dbraw/zinc/58/33/43/384583343.db2.gz RYXOCPNAMOAAJM-STQMWFEESA-N 1 0 237.274 0.313 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000491771038 384627109 /nfs/dbraw/zinc/62/71/09/384627109.db2.gz NRNJEDFYJUDXHY-WDEREUQCSA-N 1 0 239.319 0.076 20 30 BCEDRO C=C(C)CC[N@@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000528623951 384600443 /nfs/dbraw/zinc/60/04/43/384600443.db2.gz UOSKUHREEAYCNO-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cn1cc(C)cn1 ZINC000491776008 384670354 /nfs/dbraw/zinc/67/03/54/384670354.db2.gz YDASOBHMXJEPMN-UHFFFAOYSA-N 1 0 248.330 0.263 20 30 BCEDRO C[C@H](CO)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123433061 384671930 /nfs/dbraw/zinc/67/19/30/384671930.db2.gz JOQTZAXOTICLNB-JTQLQIEISA-N 1 0 244.298 0.924 20 30 BCEDRO C=CCCC[N@H+]1CCCN(S(N)(=O)=O)CC1 ZINC000363677443 384683715 /nfs/dbraw/zinc/68/37/15/384683715.db2.gz HZVWQKOXVZFNQO-UHFFFAOYSA-N 1 0 247.364 0.164 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@]1(C)CCO[C@H]1C ZINC000300370629 384708201 /nfs/dbraw/zinc/70/82/01/384708201.db2.gz UGXOQLZQRSAIQP-JBLDHEPKSA-N 1 0 226.320 0.834 20 30 BCEDRO N#CCNC(=O)C[NH+]1CCc2ccccc2CC1 ZINC000116301318 384708910 /nfs/dbraw/zinc/70/89/10/384708910.db2.gz MZJYFDQXPGGOCK-UHFFFAOYSA-N 1 0 243.310 0.727 20 30 BCEDRO C=CCCOCC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000643601907 384711656 /nfs/dbraw/zinc/71/16/56/384711656.db2.gz RBCGDYJRLCBIPR-LLVKDONJSA-N 1 0 226.320 0.775 20 30 BCEDRO C[C@@H]1C[C@@H](Nc2ncncc2C#N)C[N@@H+]1C1CC1 ZINC000565890201 384718275 /nfs/dbraw/zinc/71/82/75/384718275.db2.gz OSGXWGWKCCOAMB-MWLCHTKSSA-N 1 0 243.314 0.807 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000491792568 384732172 /nfs/dbraw/zinc/73/21/72/384732172.db2.gz GNGXXFKFNWJMIA-JTQLQIEISA-N 1 0 232.349 0.221 20 30 BCEDRO C=CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105063543 384747548 /nfs/dbraw/zinc/74/75/48/384747548.db2.gz ZXBMPYRXLQUPDF-SNVBAGLBSA-N 1 0 211.309 0.908 20 30 BCEDRO C[NH+]=C(NCCc1ccccn1)NC1CC1 ZINC000103337690 384759572 /nfs/dbraw/zinc/75/95/72/384759572.db2.gz LJQVETPFMCMMHV-UHFFFAOYSA-N 1 0 218.304 0.952 20 30 BCEDRO N#CCN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000363638266 384764641 /nfs/dbraw/zinc/76/46/41/384764641.db2.gz QNCRNDUMENAKIS-VXGBXAGGSA-N 1 0 223.320 0.431 20 30 BCEDRO C#CC[C@@H](C)NC(=O)NCCC[N@H+](C)CC#C ZINC000491801028 384764967 /nfs/dbraw/zinc/76/49/67/384764967.db2.gz BQHRJQNOODEAAT-GFCCVEGCSA-N 1 0 235.331 0.653 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CCO[C@@H](C#N)C1 ZINC000106043185 384819612 /nfs/dbraw/zinc/81/96/12/384819612.db2.gz CNRHJFBPDRZCOV-JTQLQIEISA-N 1 0 225.292 0.079 20 30 BCEDRO C[C@H]([NH2+]CCn1cccn1)C(=O)N(C)CCC#N ZINC000105932305 384820631 /nfs/dbraw/zinc/82/06/31/384820631.db2.gz WXWKRRDELOZISI-NSHDSACASA-N 1 0 249.318 0.233 20 30 BCEDRO C=CCNC(NCCc1nc(C)no1)=[NH+]C ZINC000103901878 384787994 /nfs/dbraw/zinc/78/79/94/384787994.db2.gz NIXXJYKRUYWONE-UHFFFAOYSA-N 1 0 223.280 0.272 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NCC1CC1 ZINC000297382050 384796953 /nfs/dbraw/zinc/79/69/53/384796953.db2.gz GKPXIHGDXPSETK-UHFFFAOYSA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000491068787 384797661 /nfs/dbraw/zinc/79/76/61/384797661.db2.gz QZSZSYOAPUTXOE-VXGBXAGGSA-N 1 0 238.331 0.267 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCN(C)CCOC ZINC000104183636 384807172 /nfs/dbraw/zinc/80/71/72/384807172.db2.gz XUMVMFXMIMEIGE-UHFFFAOYSA-N 1 0 228.340 0.045 20 30 BCEDRO CNC(=[NH2+])NCc1cc(F)ccc1OC ZINC000186011294 384808696 /nfs/dbraw/zinc/80/86/96/384808696.db2.gz AWOIFQWJULEIBS-UHFFFAOYSA-N 1 0 211.240 0.868 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644298927 384810630 /nfs/dbraw/zinc/81/06/30/384810630.db2.gz IBOMUXZOTMLFDY-MNOVXSKESA-N 1 0 244.360 0.528 20 30 BCEDRO Cn1ccnc1CN1CCOC[C@H]1C#N ZINC000177112266 384870307 /nfs/dbraw/zinc/87/03/07/384870307.db2.gz CWLPKBUKVQNYRY-SECBINFHSA-N 1 0 206.249 0.144 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1cncnc1OC ZINC000647199230 384875602 /nfs/dbraw/zinc/87/56/02/384875602.db2.gz SYTBYCSOGIBDBB-JTQLQIEISA-N 1 0 237.303 0.759 20 30 BCEDRO C[C@@]1(C(N)=O)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000361561878 384882078 /nfs/dbraw/zinc/88/20/78/384882078.db2.gz GWNYXHYPUDNAGJ-CMPLNLGQSA-N 1 0 234.303 0.627 20 30 BCEDRO C=C(C)CNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000156365011 384840616 /nfs/dbraw/zinc/84/06/16/384840616.db2.gz MFILKYRWQFNJRQ-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C#C[C@@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000491818602 384844976 /nfs/dbraw/zinc/84/49/76/384844976.db2.gz LYEAYDJWFCLNDQ-GRYCIOLGSA-N 1 0 235.331 0.505 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000491441503 384864984 /nfs/dbraw/zinc/86/49/84/384864984.db2.gz WEDHDSUAORLJDF-GHMZBOCLSA-N 1 0 235.331 0.886 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000491441504 384865863 /nfs/dbraw/zinc/86/58/63/384865863.db2.gz WEDHDSUAORLJDF-MNOVXSKESA-N 1 0 235.331 0.886 20 30 BCEDRO C=CCOCC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000339140875 384969277 /nfs/dbraw/zinc/96/92/77/384969277.db2.gz ONYJCNBNAIYYDW-GHMZBOCLSA-N 1 0 215.293 0.319 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000260014482 384971736 /nfs/dbraw/zinc/97/17/36/384971736.db2.gz QCZFSAJGEWXMGV-HBNTYKKESA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]Cc1cccc(C#N)c1 ZINC000135502886 384986747 /nfs/dbraw/zinc/98/67/47/384986747.db2.gz DHJFPAGJJJIKMP-SECBINFHSA-N 1 0 217.272 0.912 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cnc(CC)o1 ZINC000491483345 384987037 /nfs/dbraw/zinc/98/70/37/384987037.db2.gz BEUFUEOOZJYFLV-UHFFFAOYSA-N 1 0 235.287 0.466 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC000135501019 384990349 /nfs/dbraw/zinc/99/03/49/384990349.db2.gz KJCFPKWDYLMHPM-QMMMGPOBSA-N 1 0 226.301 0.717 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCC1([NH3+])CCC1 ZINC000491495489 385023099 /nfs/dbraw/zinc/02/30/99/385023099.db2.gz JEXOTYXOPGDEEJ-SECBINFHSA-N 1 0 209.293 0.531 20 30 BCEDRO CN(C)C(=[NH+]CCCN1CCOC1=O)N(C)C ZINC000497140875 385069533 /nfs/dbraw/zinc/06/95/33/385069533.db2.gz CMXVFSKSUNIIOV-UHFFFAOYSA-N 1 0 242.323 0.308 20 30 BCEDRO C#CCOCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000186946632 134441970 /nfs/dbraw/zinc/44/19/70/134441970.db2.gz PQMCRTVEOSXOQM-TUAOUCFPSA-N 1 0 236.315 0.222 20 30 BCEDRO Cn1cc(C[NH2+]C[C@H](O)C(F)F)cc1C#N ZINC000236073054 385027202 /nfs/dbraw/zinc/02/72/02/385027202.db2.gz QYGREDILJXTPBI-VIFPVBQESA-N 1 0 229.230 0.612 20 30 BCEDRO C[C@@H]1CCC[N@H+](CCNC(=O)CC#N)C1 ZINC000130423607 385033843 /nfs/dbraw/zinc/03/38/43/385033843.db2.gz PINDQOQFHMLGBN-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COCC ZINC000644638613 385040179 /nfs/dbraw/zinc/04/01/79/385040179.db2.gz ZUAWOJLAGWECQU-AVGNSLFASA-N 1 0 243.347 0.955 20 30 BCEDRO C#CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000491497393 385043595 /nfs/dbraw/zinc/04/35/95/385043595.db2.gz XUOSTPNKMXSVMQ-UHFFFAOYSA-N 1 0 209.293 0.390 20 30 BCEDRO NC(=[NH2+])NC[C@H]1CCN(CC(F)(F)F)C1 ZINC000203305186 385046527 /nfs/dbraw/zinc/04/65/27/385046527.db2.gz YWKRMECNVGVRHU-ZCFIWIBFSA-N 1 0 224.230 0.144 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)OC ZINC000297640370 533103333 /nfs/dbraw/zinc/10/33/33/533103333.db2.gz ZBEXRJGRBYEELT-LLVKDONJSA-N 1 0 241.335 0.276 20 30 BCEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)CC#N)C2)C1 ZINC000336690906 385116013 /nfs/dbraw/zinc/11/60/13/385116013.db2.gz MNDGGRXDCNEHBY-LLVKDONJSA-N 1 0 207.277 0.454 20 30 BCEDRO C=CCCOCC(=O)N1CCC(C)([NH3+])CC1 ZINC000646992333 385127726 /nfs/dbraw/zinc/12/77/26/385127726.db2.gz GTUTWGVGKDOJJQ-UHFFFAOYSA-N 1 0 226.320 0.919 20 30 BCEDRO C#CCNC(=O)CC[N@H+](C)CC[C@@H]1CCCO1 ZINC000491202490 385099611 /nfs/dbraw/zinc/09/96/11/385099611.db2.gz OOFGMVDEDFNCLL-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246096001 385107450 /nfs/dbraw/zinc/10/74/50/385107450.db2.gz IPZUHIGDBBJZOP-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO CN(CC[NH+](C)C)Cc1cc(C#N)n(C)c1 ZINC000289743203 385145348 /nfs/dbraw/zinc/14/53/48/385145348.db2.gz IRGXVKWPOYGORG-UHFFFAOYSA-N 1 0 220.320 0.890 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCC(C)(C)O1 ZINC000491566230 385150825 /nfs/dbraw/zinc/15/08/25/385150825.db2.gz FHSMIYRNNSQNDR-LLVKDONJSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCC(C)(C)O1 ZINC000491566231 385152633 /nfs/dbraw/zinc/15/26/33/385152633.db2.gz FHSMIYRNNSQNDR-NSHDSACASA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000491616839 385160955 /nfs/dbraw/zinc/16/09/55/385160955.db2.gz BWQSOZRXUINKTE-VXGBXAGGSA-N 1 0 237.347 0.150 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000647025239 385162187 /nfs/dbraw/zinc/16/21/87/385162187.db2.gz KDUCPPQAMHBIJY-PHIMTYICSA-N 1 0 224.304 0.257 20 30 BCEDRO COCC#CCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000644784206 385170089 /nfs/dbraw/zinc/17/00/89/385170089.db2.gz GDWBIMQHQOAOFZ-CYBMUJFWSA-N 1 0 222.332 0.664 20 30 BCEDRO CC(C)[C@H](C(=O)N[C@@H](C)CC#N)[NH+](C)C ZINC000359287877 385170927 /nfs/dbraw/zinc/17/09/27/385170927.db2.gz MFBJKRKHJUGBHO-VHSXEESVSA-N 1 0 211.309 0.991 20 30 BCEDRO C=CCCOCC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000647067979 385213239 /nfs/dbraw/zinc/21/32/39/385213239.db2.gz HNARCCAZFSSIEI-IUCAKERBSA-N 1 0 200.282 0.431 20 30 BCEDRO CCN(C)CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189592134 385213922 /nfs/dbraw/zinc/21/39/22/385213922.db2.gz SKHHHAWMOMAAOS-UHFFFAOYSA-N 1 0 220.320 0.938 20 30 BCEDRO N#CCCC[NH2+][C@H](CO)C1CCOCC1 ZINC000308862090 385231740 /nfs/dbraw/zinc/23/17/40/385231740.db2.gz APQBNKCLFVPGNK-LLVKDONJSA-N 1 0 212.293 0.667 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000647082874 385242611 /nfs/dbraw/zinc/24/26/11/385242611.db2.gz PVUOTGXPWFHFBG-GHMZBOCLSA-N 1 0 226.320 0.823 20 30 BCEDRO CCCC(N)=[NH+]OCCCN1C(=O)CNC1=O ZINC000153252521 385243872 /nfs/dbraw/zinc/24/38/72/385243872.db2.gz ITMHTFXTXWTYFI-UHFFFAOYSA-N 1 0 242.279 0.017 20 30 BCEDRO CC(C)[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000401423584 385306109 /nfs/dbraw/zinc/30/61/09/385306109.db2.gz TUZNYOXLTCKYOL-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@H](O)C[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000189849554 385308353 /nfs/dbraw/zinc/30/83/53/385308353.db2.gz SLGJUBPFCRYUDH-NSHDSACASA-N 1 0 249.314 0.650 20 30 BCEDRO N#CCN1CC[NH+](C[C@@H]2CCC=CO2)CC1 ZINC000191073373 385281276 /nfs/dbraw/zinc/28/12/76/385281276.db2.gz NVQPYVKNWLVWIM-LBPRGKRZSA-N 1 0 221.304 0.820 20 30 BCEDRO N#CCCCN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178470518 385285191 /nfs/dbraw/zinc/28/51/91/385285191.db2.gz BGSKWUCASTUOIH-ZDUSSCGKSA-N 1 0 237.347 0.944 20 30 BCEDRO CC#CC[NH+]1CCC(n2cncn2)CC1 ZINC000157869052 385299395 /nfs/dbraw/zinc/29/93/95/385299395.db2.gz UBODMEMUNMPNBK-UHFFFAOYSA-N 1 0 204.277 0.938 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000407993559 385329680 /nfs/dbraw/zinc/32/96/80/385329680.db2.gz QEAVGMUESQSPPP-AXFHLTTASA-N 1 0 236.319 0.682 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3cccc(C#N)n3)C[C@H]21 ZINC000407995702 385337025 /nfs/dbraw/zinc/33/70/25/385337025.db2.gz IULCJMRLAGUISP-NEPJUHHUSA-N 1 0 244.298 0.472 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000491646262 385341880 /nfs/dbraw/zinc/34/18/80/385341880.db2.gz SIYSBBJSWQAMJF-RYUDHWBXSA-N 1 0 240.347 0.777 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@@H](C)CC[NH3+] ZINC000491340713 385371374 /nfs/dbraw/zinc/37/13/74/385371374.db2.gz ZQEHKEMGSUYKGE-VHSXEESVSA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@H](C)CC[NH3+] ZINC000491340711 385371409 /nfs/dbraw/zinc/37/14/09/385371409.db2.gz ZQEHKEMGSUYKGE-NXEZZACHSA-N 1 0 211.309 0.825 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)Cn1cccn1 ZINC000309018349 385372565 /nfs/dbraw/zinc/37/25/65/385372565.db2.gz VPAXHUCSVBJDRS-QWRGUYRKSA-N 1 0 209.293 0.798 20 30 BCEDRO COC[C@H](O)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309048510 385382173 /nfs/dbraw/zinc/38/21/73/385382173.db2.gz PPLMEHOFQUSWET-GARJFASQSA-N 1 0 212.293 0.666 20 30 BCEDRO OC[C@@]1(O)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000313683307 385442830 /nfs/dbraw/zinc/44/28/30/385442830.db2.gz PAODWBJCGCJRPO-OAHLLOKOSA-N 1 0 245.322 0.857 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000448744480 385449072 /nfs/dbraw/zinc/44/90/72/385449072.db2.gz BQWPNZCFIIVDPC-CDMKHQONSA-N 1 0 235.331 0.993 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ccc(C(=O)N(C)C)cc1 ZINC000170910024 385454670 /nfs/dbraw/zinc/45/46/70/385454670.db2.gz NOHSIDOQYGIBFI-UHFFFAOYSA-N 1 0 248.330 0.765 20 30 BCEDRO CCc1cccc(NC(=[NH2+])NCC(=O)NC)c1 ZINC000170907066 385454726 /nfs/dbraw/zinc/45/47/26/385454726.db2.gz HHYYVYYAYOJBQX-UHFFFAOYSA-N 1 0 234.303 0.722 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCOC1 ZINC000170908704 385455109 /nfs/dbraw/zinc/45/51/09/385455109.db2.gz ZDCVACDLLPFYJK-JTQLQIEISA-N 1 0 211.309 0.893 20 30 BCEDRO CN(C)C(=[NH2+])NCC(=O)NCCc1ccccc1 ZINC000170913177 385456015 /nfs/dbraw/zinc/45/60/15/385456015.db2.gz ODPICASUDJWWKY-UHFFFAOYSA-N 1 0 248.330 0.222 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1c(C)noc1C ZINC000170911458 385456564 /nfs/dbraw/zinc/45/65/64/385456564.db2.gz YZIXKUMWFBLRQO-ZETCQYMHSA-N 1 0 240.307 0.731 20 30 BCEDRO C=CCCOCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000644081828 385427399 /nfs/dbraw/zinc/42/73/99/385427399.db2.gz YUODWZGNJJXZDN-LLVKDONJSA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000644100147 385474630 /nfs/dbraw/zinc/47/46/30/385474630.db2.gz NDSIJEORLSLUQL-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000448387908 385481393 /nfs/dbraw/zinc/48/13/93/385481393.db2.gz KXKAXLGCXOUNNQ-GFCCVEGCSA-N 1 0 243.351 0.564 20 30 BCEDRO COCCNC(=[NH2+])NCc1cccc(CO)c1 ZINC000171539951 385494333 /nfs/dbraw/zinc/49/43/33/385494333.db2.gz YZAMSPMHBKUMTA-UHFFFAOYSA-N 1 0 237.303 0.230 20 30 BCEDRO C#CCN(CC#N)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000377021905 533127393 /nfs/dbraw/zinc/12/73/93/533127393.db2.gz XBHRVAJBYCYAMH-KBPBESRZSA-N 1 0 246.358 0.919 20 30 BCEDRO COC[C@](C)(CC(=O)OC)[NH2+]CCCC#N ZINC000309456153 385588003 /nfs/dbraw/zinc/58/80/03/385588003.db2.gz MMAYKDPSNQZJAO-NSHDSACASA-N 1 0 228.292 0.848 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000336681157 385636610 /nfs/dbraw/zinc/63/66/10/385636610.db2.gz ONTLOHBUUGPYFO-OUAUKWLOSA-N 1 0 242.344 0.845 20 30 BCEDRO N#Cc1ccc(CC[N@@H+](CCO)CCCO)cc1 ZINC000595315996 385625559 /nfs/dbraw/zinc/62/55/59/385625559.db2.gz WTBHSEYWAYETSD-UHFFFAOYSA-N 1 0 248.326 0.777 20 30 BCEDRO C#CCNC(NC[C@@]1(O)CCSC1)=[NH+]CC ZINC000262417863 533142418 /nfs/dbraw/zinc/14/24/18/533142418.db2.gz QLNWCKSOAOAYLM-NSHDSACASA-N 1 0 241.360 0.043 20 30 BCEDRO C#CCNC(N[C@@H]1C[C@@H](OC)C1(C)C)=[NH+]CC ZINC000261895679 533142502 /nfs/dbraw/zinc/14/25/02/533142502.db2.gz XYROTOKZQHRQDH-GHMZBOCLSA-N 1 0 237.347 0.988 20 30 BCEDRO C#CCNC(=[NH+]CC)N1CC[C@@]2(CCOC2)C1 ZINC000261956708 533142535 /nfs/dbraw/zinc/14/25/35/533142535.db2.gz IYXAQCYWFBILPD-CYBMUJFWSA-N 1 0 235.331 0.698 20 30 BCEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nccc(C#N)n1 ZINC000408455803 385687988 /nfs/dbraw/zinc/68/79/88/385687988.db2.gz FIFZYTKOMFKAHY-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1nccc(C#N)n1 ZINC000408455802 385689207 /nfs/dbraw/zinc/68/92/07/385689207.db2.gz FIFZYTKOMFKAHY-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@H]2C1)C(C)C ZINC000491730215 385700672 /nfs/dbraw/zinc/70/06/72/385700672.db2.gz JKZAUVGVDLMGFB-AVGNSLFASA-N 1 0 249.358 0.895 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000336735503 385701054 /nfs/dbraw/zinc/70/10/54/385701054.db2.gz OISOXUUHBOFSMZ-UWVGGRQHSA-N 1 0 233.333 0.090 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000309585534 385718216 /nfs/dbraw/zinc/71/82/16/385718216.db2.gz SCOSCNYBQDZYDJ-MWLCHTKSSA-N 1 0 221.304 0.934 20 30 BCEDRO C#CCNC(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)=[NH+]C ZINC000262411631 533140595 /nfs/dbraw/zinc/14/05/95/533140595.db2.gz PJSQTEKDNPDIJU-AXFHLTTASA-N 1 0 235.331 0.598 20 30 BCEDRO CN(CCCO)CC(=O)Nc1cccc(C#N)c1 ZINC000281827138 385704645 /nfs/dbraw/zinc/70/46/45/385704645.db2.gz MBJBFEVQHVXVKD-UHFFFAOYSA-N 1 0 247.298 0.811 20 30 BCEDRO C#CCNC(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)=[NH+]C ZINC000261680566 533141380 /nfs/dbraw/zinc/14/13/80/533141380.db2.gz QNQSGDDDYWXDCS-QJPTWQEYSA-N 1 0 247.342 0.742 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CCCC#N ZINC000294061521 385798074 /nfs/dbraw/zinc/79/80/74/385798074.db2.gz VACREHOORJHSLS-UHFFFAOYSA-N 1 0 221.304 0.752 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(CC(=O)NCC#N)CC1 ZINC000408383769 385800341 /nfs/dbraw/zinc/80/03/41/385800341.db2.gz XVOYRIYZOPCKSA-NSHDSACASA-N 1 0 238.335 0.042 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(C)(CO)CC1 ZINC000186955867 385818667 /nfs/dbraw/zinc/81/86/67/385818667.db2.gz MJEDQXUXZNKDKS-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCOC[C@H]1O ZINC000602723663 385819083 /nfs/dbraw/zinc/81/90/83/385819083.db2.gz HKOZSZRVIKCACD-GMTAPVOTSA-N 1 0 212.293 0.666 20 30 BCEDRO Cc1cc(CON=C(N)[C@@H]2CCCO2)no1 ZINC000284066750 385849181 /nfs/dbraw/zinc/84/91/81/385849181.db2.gz JWIZRXGSMTWBCB-VIFPVBQESA-N 1 0 225.248 0.951 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]1CCO ZINC000336710655 385797372 /nfs/dbraw/zinc/79/73/72/385797372.db2.gz UABVWVGBJGASLE-JTQLQIEISA-N 1 0 212.293 0.135 20 30 BCEDRO C[C@@H](C#N)C[N@H+](C)CC1(O)CCOCC1 ZINC000123733529 385913284 /nfs/dbraw/zinc/91/32/84/385913284.db2.gz GPAAFLDMZGJRTF-JTQLQIEISA-N 1 0 212.293 0.619 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000341990138 385915229 /nfs/dbraw/zinc/91/52/29/385915229.db2.gz KLEASERGGJGSHC-LBPRGKRZSA-N 1 0 237.303 0.129 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@H](C[NH2+]C)C2)C1=O ZINC000647836854 385881808 /nfs/dbraw/zinc/88/18/08/385881808.db2.gz DNKIDXZPRRHPTM-VXGBXAGGSA-N 1 0 237.347 0.315 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000647836852 385882335 /nfs/dbraw/zinc/88/23/35/385882335.db2.gz DNKIDXZPRRHPTM-NWDGAFQWSA-N 1 0 237.347 0.315 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000414143060 385991902 /nfs/dbraw/zinc/99/19/02/385991902.db2.gz LJIXMEYMNSEGAF-CHWSQXEVSA-N 1 0 237.347 0.677 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[N@@H+]1CC[C@H]1C1CC1 ZINC000414143061 385992958 /nfs/dbraw/zinc/99/29/58/385992958.db2.gz LJIXMEYMNSEGAF-OLZOCXBDSA-N 1 0 237.347 0.677 20 30 BCEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CC#N ZINC000189455265 386009136 /nfs/dbraw/zinc/00/91/36/386009136.db2.gz PRVHRSHMDOZQAY-JTQLQIEISA-N 1 0 211.309 0.287 20 30 BCEDRO CC[C@H]1CC[N@@H+]1C[C@H](O)CN(C)CCC#N ZINC000414121717 386014095 /nfs/dbraw/zinc/01/40/95/386014095.db2.gz HRDOEIIDIAGXSR-NWDGAFQWSA-N 1 0 225.336 0.677 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000368807177 533154938 /nfs/dbraw/zinc/15/49/38/533154938.db2.gz VVZSBSZREWCIMI-JTQLQIEISA-N 1 0 207.277 0.109 20 30 BCEDRO CC(C)(C#N)CCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232530823 386116682 /nfs/dbraw/zinc/11/66/82/386116682.db2.gz CKYCLTWZRUJLOW-UWVGGRQHSA-N 1 0 212.293 0.354 20 30 BCEDRO C=CCOCCCC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638936656 386068023 /nfs/dbraw/zinc/06/80/23/386068023.db2.gz RKWLHBDBUZYYDF-WDEREUQCSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCOCCCC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638936653 386069251 /nfs/dbraw/zinc/06/92/51/386069251.db2.gz RKWLHBDBUZYYDF-GHMZBOCLSA-N 1 0 226.320 0.917 20 30 BCEDRO C[NH2+]CCNC(=O)Nc1snc(C)c1C#N ZINC000415719849 386132724 /nfs/dbraw/zinc/13/27/24/386132724.db2.gz HVGZTHISRMLEIK-UHFFFAOYSA-N 1 0 239.304 0.664 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1c(C)nn(C)c1C ZINC000161483657 386202834 /nfs/dbraw/zinc/20/28/34/386202834.db2.gz DMIRIFWCTJTHCD-UHFFFAOYSA-N 1 0 235.335 0.670 20 30 BCEDRO C[C@@H](Cn1c(N)nc(C#N)c1C#N)[NH+](C)C ZINC000309392015 386203434 /nfs/dbraw/zinc/20/34/34/386203434.db2.gz TXLYWWMUALEIOV-ZETCQYMHSA-N 1 0 218.264 0.159 20 30 BCEDRO CNC(=[NH2+])NCc1ccc([C@@H](C)O)cc1 ZINC000264117733 386208693 /nfs/dbraw/zinc/20/86/93/386208693.db2.gz TWUSBTJTDYLTQJ-MRVPVSSYSA-N 1 0 207.277 0.774 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](C)N1CCc2ccccc21 ZINC000264116561 386209652 /nfs/dbraw/zinc/20/96/52/386209652.db2.gz SXBGAZNLJBXOAI-SNVBAGLBSA-N 1 0 232.331 0.972 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424968999 386257469 /nfs/dbraw/zinc/25/74/69/386257469.db2.gz YQWIMASECGRUNP-YFKTTZPYSA-N 1 0 235.331 0.993 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1cnc(C#N)cn1 ZINC000274729790 386304393 /nfs/dbraw/zinc/30/43/93/386304393.db2.gz ZXYNVXPTKHWOHB-JTQLQIEISA-N 1 0 221.264 0.124 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000347153701 386263478 /nfs/dbraw/zinc/26/34/78/386263478.db2.gz AYMFMJWLCPAUTJ-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO C#C[C@@H](C)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000280356962 386344777 /nfs/dbraw/zinc/34/47/77/386344777.db2.gz VBSHRVUIZYHXRK-MWLCHTKSSA-N 1 0 206.289 0.751 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347315797 386356473 /nfs/dbraw/zinc/35/64/73/386356473.db2.gz RQHLPSYKFUMRLU-TUAOUCFPSA-N 1 0 229.320 0.131 20 30 BCEDRO CC(C)(C#N)CC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347319249 386359017 /nfs/dbraw/zinc/35/90/17/386359017.db2.gz VHFXULYEWGMPRV-GHMZBOCLSA-N 1 0 226.320 0.744 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC=C(C)C1 ZINC000280926457 386359140 /nfs/dbraw/zinc/35/91/40/386359140.db2.gz UOOBSTJQMIPKEX-NSHDSACASA-N 1 0 206.289 0.776 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H](C2CC[NH+](C)CC2)C1 ZINC000378280722 533167906 /nfs/dbraw/zinc/16/79/06/533167906.db2.gz NROVNRSPYHCPGY-CYBMUJFWSA-N 1 0 249.358 0.993 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC000280742088 386374566 /nfs/dbraw/zinc/37/45/66/386374566.db2.gz WXVCSXUXDVNFKA-ZYHUDNBSSA-N 1 0 236.319 0.886 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(C#N)c[nH]1 ZINC000267275808 386383085 /nfs/dbraw/zinc/38/30/85/386383085.db2.gz WOHRMFCMJAQLCW-SECBINFHSA-N 1 0 234.303 0.956 20 30 BCEDRO C=CCCS(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000416507411 386331880 /nfs/dbraw/zinc/33/18/80/386331880.db2.gz KFUGBALDXDXYFB-UHFFFAOYSA-N 1 0 234.365 0.822 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCOC1 ZINC000393964332 386398051 /nfs/dbraw/zinc/39/80/51/386398051.db2.gz ZUBHKRSTCRDOSM-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C[C@H]1C[C@H](NC(=O)NCCC#N)C[N@@H+]1C1CC1 ZINC000408366459 386399163 /nfs/dbraw/zinc/39/91/63/386399163.db2.gz OLCOQEQGZNZEKL-UWVGGRQHSA-N 1 0 236.319 0.824 20 30 BCEDRO C[NH2+]CCCNC(=O)NCC#Cc1ccccc1 ZINC000416938865 386423770 /nfs/dbraw/zinc/42/37/70/386423770.db2.gz BOSGOHSESFKSLR-UHFFFAOYSA-N 1 0 245.326 0.947 20 30 BCEDRO C=CCN1C(=O)N[C@@]2(CCCC[C@H]2C[NH3+])C1=O ZINC000335454366 386529573 /nfs/dbraw/zinc/52/95/73/386529573.db2.gz GVRIYFMRDZWHQQ-JOYOIKCWSA-N 1 0 237.303 0.612 20 30 BCEDRO CC#CCC[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000187723108 386582487 /nfs/dbraw/zinc/58/24/87/386582487.db2.gz HGDDDODZSYGNJO-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CC[C@@H]([NH2+]C)C1 ZINC000123151776 386532737 /nfs/dbraw/zinc/53/27/37/386532737.db2.gz AYCFIAAOQGKZPF-GFCCVEGCSA-N 1 0 237.347 0.481 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC(C[NH2+]C)CC1 ZINC000123815607 386570631 /nfs/dbraw/zinc/57/06/31/386570631.db2.gz DLMYFVXZOVANMJ-UHFFFAOYSA-N 1 0 246.376 0.824 20 30 BCEDRO O=C(NCC[NH+]1CCC1)N[C@@H]1CCCOC1 ZINC000328735349 386620845 /nfs/dbraw/zinc/62/08/45/386620845.db2.gz YYVDYTINYCWISS-SNVBAGLBSA-N 1 0 227.308 0.375 20 30 BCEDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC000328798800 386627370 /nfs/dbraw/zinc/62/73/70/386627370.db2.gz WZXDMWSXCZMOFH-WDEREUQCSA-N 1 0 242.319 0.843 20 30 BCEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1CCC#N ZINC000408440507 386633366 /nfs/dbraw/zinc/63/33/66/386633366.db2.gz COJCKMPFOCCWEB-NSHDSACASA-N 1 0 225.336 0.677 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)Cc1cnn(C)c1 ZINC000292983076 386648022 /nfs/dbraw/zinc/64/80/22/386648022.db2.gz FKDPMYZACSDVGV-UHFFFAOYSA-N 1 0 248.330 0.382 20 30 BCEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)c1cnc[nH]1 ZINC000328727459 386617580 /nfs/dbraw/zinc/61/75/80/386617580.db2.gz GIQODNFQWATRFV-MRVPVSSYSA-N 1 0 220.276 0.951 20 30 BCEDRO C=CCOCC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000428124025 386663733 /nfs/dbraw/zinc/66/37/33/386663733.db2.gz XUXJOCKZTTVZKW-WDEREUQCSA-N 1 0 226.320 0.917 20 30 BCEDRO CN(CC#N)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000426093874 386666853 /nfs/dbraw/zinc/66/68/53/386666853.db2.gz YWXGTNRTYUEUTH-UHFFFAOYSA-N 1 0 221.304 0.843 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C[C@@](C)(O)C=C ZINC000293995873 386670526 /nfs/dbraw/zinc/67/05/26/386670526.db2.gz OIXCKULHLLYSCL-ZDUSSCGKSA-N 1 0 238.331 0.385 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cncnc1C ZINC000294015762 386673797 /nfs/dbraw/zinc/67/37/97/386673797.db2.gz QBMKMILJCMNFGQ-UHFFFAOYSA-N 1 0 246.314 0.470 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000294011001 386673906 /nfs/dbraw/zinc/67/39/06/386673906.db2.gz GRZPCXWZTUIYHU-LBPRGKRZSA-N 1 0 238.331 0.908 20 30 BCEDRO CC[C@@H](O)C[NH+]1CCN(CCC#N)CC1 ZINC000330363592 386675296 /nfs/dbraw/zinc/67/52/96/386675296.db2.gz LDAYQVZMPNMGET-LLVKDONJSA-N 1 0 211.309 0.289 20 30 BCEDRO CC[NH+](CC)C[C@@H](C)NC(=O)c1cnnn1C ZINC000330378950 386681820 /nfs/dbraw/zinc/68/18/20/386681820.db2.gz RZUPYOWJEGIXFB-SECBINFHSA-N 1 0 239.323 0.850 20 30 BCEDRO C[C@H](CNC(=O)NCCO)[N@@H+]1CCC[C@@H](C)C1 ZINC000330420441 386709368 /nfs/dbraw/zinc/70/93/68/386709368.db2.gz XPEFWOPDJPOLII-GHMZBOCLSA-N 1 0 243.351 0.603 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)C(C)(C)C)C1=O ZINC000330389178 386697759 /nfs/dbraw/zinc/69/77/59/386697759.db2.gz NSEAGSCYYGYATI-WDEREUQCSA-N 1 0 240.347 0.770 20 30 BCEDRO CCN(CCO)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000330484554 386733119 /nfs/dbraw/zinc/73/31/19/386733119.db2.gz YAUSUCIWHLDUCR-JTQLQIEISA-N 1 0 229.324 0.309 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCCC(N)=O ZINC000330430499 386714118 /nfs/dbraw/zinc/71/41/18/386714118.db2.gz MRCKZSRHKORDDI-MRVPVSSYSA-N 1 0 228.296 0.510 20 30 BCEDRO C[C@H](C(=O)NCC#CCO)[NH+]1[C@H](C)CC[C@H]1C ZINC000330457707 386719625 /nfs/dbraw/zinc/71/96/25/386719625.db2.gz OXXYPKQQVAGPIG-IJLUTSLNSA-N 1 0 238.331 0.360 20 30 BCEDRO CNC(=O)CC[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087824084 386760414 /nfs/dbraw/zinc/76/04/14/386760414.db2.gz PIZLGYZXXKZZQD-UHFFFAOYSA-N 1 0 247.298 0.793 20 30 BCEDRO C#CCOc1ccc(C[NH2+]CCOCCO)cc1 ZINC000045945928 533191173 /nfs/dbraw/zinc/19/11/73/533191173.db2.gz ABPGQAIGQCCBQJ-UHFFFAOYSA-N 1 0 249.310 0.797 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCN1CC=CCC1 ZINC000279987436 386766874 /nfs/dbraw/zinc/76/68/74/386766874.db2.gz LIKAJSLLSBRTER-NSHDSACASA-N 1 0 240.351 0.188 20 30 BCEDRO CC#CC[N@@H+](C)C[C@@](C)(O)C(=O)OCC ZINC000293261185 386793890 /nfs/dbraw/zinc/79/38/90/386793890.db2.gz UMBLBXURLFSMEQ-LLVKDONJSA-N 1 0 213.277 0.256 20 30 BCEDRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCCCO)C1 ZINC000330596352 386805587 /nfs/dbraw/zinc/80/55/87/386805587.db2.gz CGZPZISCLRMRPX-NXEZZACHSA-N 1 0 229.324 0.355 20 30 BCEDRO CC#CCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000341060548 386831605 /nfs/dbraw/zinc/83/16/05/386831605.db2.gz ZLPSRXHUWANDAW-GHMZBOCLSA-N 1 0 208.305 0.666 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[NH2+]C[C@H]2C)C1=O ZINC000334783777 386841983 /nfs/dbraw/zinc/84/19/83/386841983.db2.gz BTNOWOMZBKVYAJ-GHMZBOCLSA-N 1 0 223.320 0.067 20 30 BCEDRO C=CCCOCCNC(=O)NCC[NH2+]C ZINC000417959866 386842471 /nfs/dbraw/zinc/84/24/71/386842471.db2.gz MDFQZLUVQRDOLD-UHFFFAOYSA-N 1 0 215.297 0.098 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000330802254 386892654 /nfs/dbraw/zinc/89/26/54/386892654.db2.gz ARXQUAYMYCVOSX-TUAOUCFPSA-N 1 0 234.303 0.526 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1cnn(C)c1 ZINC000330673119 386854084 /nfs/dbraw/zinc/85/40/84/386854084.db2.gz GXQLZOGMUUVEFX-QMMMGPOBSA-N 1 0 210.281 0.675 20 30 BCEDRO C#CCSCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262452632 533199834 /nfs/dbraw/zinc/19/98/34/533199834.db2.gz KDHSDOHJDORSSV-JTQLQIEISA-N 1 0 241.360 0.388 20 30 BCEDRO OCC[NH+]1CCN(CC#Cc2ccccc2)CC1 ZINC000051814890 386869453 /nfs/dbraw/zinc/86/94/53/386869453.db2.gz LHNDNAQJYBAHRI-UHFFFAOYSA-N 1 0 244.338 0.648 20 30 BCEDRO N#CCc1ccc(NC(=O)NC2C[NH2+]C2)cc1 ZINC000334833885 386872901 /nfs/dbraw/zinc/87/29/01/386872901.db2.gz UWQNMSZQQVNMCV-UHFFFAOYSA-N 1 0 230.271 0.846 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CC)C1 ZINC000125650955 386875148 /nfs/dbraw/zinc/87/51/48/386875148.db2.gz LIHAJKNHTOTHJB-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO CC(C)[C@@H](CO)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000330729766 386884700 /nfs/dbraw/zinc/88/47/00/386884700.db2.gz OLBWGUPPNQXUNK-WDEREUQCSA-N 1 0 243.351 0.601 20 30 BCEDRO C#CCSCCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262452633 533201082 /nfs/dbraw/zinc/20/10/82/533201082.db2.gz KDHSDOHJDORSSV-SNVBAGLBSA-N 1 0 241.360 0.388 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]([NH3+])CCSC ZINC000157658753 386941993 /nfs/dbraw/zinc/94/19/93/386941993.db2.gz HZTJFDVLLLTQNU-ZETCQYMHSA-N 1 0 222.741 0.936 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(C#N)CCC1 ZINC000334897565 386970808 /nfs/dbraw/zinc/97/08/08/386970808.db2.gz JGCRSIRDEYDOIY-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C=C(C)COCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417893415 386991550 /nfs/dbraw/zinc/99/15/50/386991550.db2.gz RWJLWYVCSSTKMI-QWRGUYRKSA-N 1 0 241.335 0.710 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000609920632 386999752 /nfs/dbraw/zinc/99/97/52/386999752.db2.gz WNKPDKCZRRXALP-NSHDSACASA-N 1 0 244.298 0.890 20 30 BCEDRO N#CCc1ccc(C[N@H+]2C[C@H](CO)[C@H](O)C2)cc1 ZINC000398980951 387032549 /nfs/dbraw/zinc/03/25/49/387032549.db2.gz FYQAHLWRPVYBNN-ZIAGYGMSSA-N 1 0 246.310 0.538 20 30 BCEDRO C#CC[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000369819708 533209042 /nfs/dbraw/zinc/20/90/42/533209042.db2.gz PUQUOIXZRGYKJM-RYUDHWBXSA-N 1 0 235.331 0.888 20 30 BCEDRO CC#CCCNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000418035463 387060830 /nfs/dbraw/zinc/06/08/30/387060830.db2.gz UUGPSEYFAKOVBO-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO CC#CCCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000418036884 387064019 /nfs/dbraw/zinc/06/40/19/387064019.db2.gz WSUUXZHSXZKUKP-LLVKDONJSA-N 1 0 223.320 0.923 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418039004 387072068 /nfs/dbraw/zinc/07/20/68/387072068.db2.gz ZBEGSSZNEVIHJN-QWRGUYRKSA-N 1 0 223.320 0.826 20 30 BCEDRO C[C@@H]1CN(C(=O)NCC2(CC#N)CC2)CC[NH2+]1 ZINC000334946743 387109138 /nfs/dbraw/zinc/10/91/38/387109138.db2.gz YRPZDRJAMFEBGM-SNVBAGLBSA-N 1 0 236.319 0.684 20 30 BCEDRO C=C(C)CNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000334948986 387112410 /nfs/dbraw/zinc/11/24/10/387112410.db2.gz DKURLLGIORTQMV-ZJUUUORDSA-N 1 0 211.309 0.860 20 30 BCEDRO CC#CCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000418038513 387068161 /nfs/dbraw/zinc/06/81/61/387068161.db2.gz YRDUBKMTYFKEOS-SNVBAGLBSA-N 1 0 211.309 0.697 20 30 BCEDRO CC[N@@H+]1CCC[C@H](CNc2ccnc(C#N)n2)C1 ZINC000571700452 387148554 /nfs/dbraw/zinc/14/85/54/387148554.db2.gz JDKCIBYOMSEMII-LLVKDONJSA-N 1 0 245.330 0.914 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)NCC[NH3+] ZINC000418130175 387159087 /nfs/dbraw/zinc/15/90/87/387159087.db2.gz FNVDGLGZRDDDFD-UWVGGRQHSA-N 1 0 227.308 0.226 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418154513 387174360 /nfs/dbraw/zinc/17/43/60/387174360.db2.gz XURGLRTTWUBAIK-ZNSHCXBVSA-N 1 0 223.320 0.858 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@@H](C)C(=O)NC)cc1 ZINC000292831753 387182088 /nfs/dbraw/zinc/18/20/88/387182088.db2.gz RGSUKWPBEQGNQW-JTQLQIEISA-N 1 0 216.284 0.892 20 30 BCEDRO N#CCC(=O)N1CC[NH+](CC2CCC2)CC1 ZINC000572012451 387220488 /nfs/dbraw/zinc/22/04/88/387220488.db2.gz PKTYCVNAJFFAOU-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000572039301 387226090 /nfs/dbraw/zinc/22/60/90/387226090.db2.gz PIOOQRGJCJPBTQ-VXGBXAGGSA-N 1 0 239.319 0.018 20 30 BCEDRO C[C@H](CCC#N)[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000514733250 387281929 /nfs/dbraw/zinc/28/19/29/387281929.db2.gz HNIFHDUGDMVIOE-KOLCDFICSA-N 1 0 222.292 0.735 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)CC1(O)CCOCC1 ZINC000189783308 387289198 /nfs/dbraw/zinc/28/91/98/387289198.db2.gz BDGDFDDQAFPZEL-GFCCVEGCSA-N 1 0 243.347 0.787 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](Nc2ccncc2C#N)C1 ZINC000548152609 387304457 /nfs/dbraw/zinc/30/44/57/387304457.db2.gz DIWZZIYAMIOPKX-GFCCVEGCSA-N 1 0 246.314 0.508 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000515467529 387381635 /nfs/dbraw/zinc/38/16/35/387381635.db2.gz BCHWLZYABFZZQI-TUAOUCFPSA-N 1 0 234.303 0.526 20 30 BCEDRO C=CCOc1cccnc1C(=O)N[C@@H](C)C[NH3+] ZINC000423589818 387381853 /nfs/dbraw/zinc/38/18/53/387381853.db2.gz HSBSXRZPXSDWCX-VIFPVBQESA-N 1 0 235.287 0.723 20 30 BCEDRO C=CCOc1cccnc1C(=O)NCC1C[NH2+]C1 ZINC000423487353 387334001 /nfs/dbraw/zinc/33/40/01/387334001.db2.gz UFHMCSHPXFVCHE-UHFFFAOYSA-N 1 0 247.298 0.596 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262117069 387341855 /nfs/dbraw/zinc/34/18/55/387341855.db2.gz VZZMTPFHWMYTOR-KOLCDFICSA-N 1 0 226.320 0.821 20 30 BCEDRO Cn1cc(CN2CC[NH+](CCO)CC2)cc1C#N ZINC000191147002 387349661 /nfs/dbraw/zinc/34/96/61/387349661.db2.gz FKIDAKONCZSYGJ-UHFFFAOYSA-N 1 0 248.330 0.007 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC2=NO[C@@H](C)C2)CC1 ZINC000270865931 387436177 /nfs/dbraw/zinc/43/61/77/387436177.db2.gz VEIZJNDSTISDOY-JTQLQIEISA-N 1 0 249.314 0.570 20 30 BCEDRO C[C@H](CNC(=O)c1ccc(C#N)[nH]1)[NH+](C)C ZINC000269718823 387462090 /nfs/dbraw/zinc/46/20/90/387462090.db2.gz TUWQEKQOEBYFIS-MRVPVSSYSA-N 1 0 220.276 0.566 20 30 BCEDRO CC#CC[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000272969040 387453703 /nfs/dbraw/zinc/45/37/03/387453703.db2.gz GYRVDZYVMCCKLV-LBPRGKRZSA-N 1 0 234.274 0.835 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](COC)C(C)C ZINC000083400119 387410891 /nfs/dbraw/zinc/41/08/91/387410891.db2.gz VKUMACWBPXYJLS-GHMZBOCLSA-N 1 0 226.320 0.385 20 30 BCEDRO Cn1cc(C[NH2+][C@]2(CO)CCOC2)cc1C#N ZINC000191592799 387493797 /nfs/dbraw/zinc/49/37/97/387493797.db2.gz DQARYSRJNXHUIY-LBPRGKRZSA-N 1 0 235.287 0.138 20 30 BCEDRO C[C@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292379643 387494713 /nfs/dbraw/zinc/49/47/13/387494713.db2.gz ZCTMNINRJJIOQK-CMPLNLGQSA-N 1 0 247.298 0.787 20 30 BCEDRO C#C[C@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000274844858 387495483 /nfs/dbraw/zinc/49/54/83/387495483.db2.gz XGXQMUPHPKNJQS-JOYOIKCWSA-N 1 0 234.274 0.833 20 30 BCEDRO N#CC1(CNC(=O)NCC[NH+]2CCC2)CCC1 ZINC000520773572 387543313 /nfs/dbraw/zinc/54/33/13/387543313.db2.gz DCMUTPBDCQCPEE-UHFFFAOYSA-N 1 0 236.319 0.685 20 30 BCEDRO C#CCC[N@@H+]1CCNC(=O)[C@@H]1CC(C)C ZINC000275543045 387510440 /nfs/dbraw/zinc/51/04/40/387510440.db2.gz ZEBYGTYJQRCYPL-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000375080813 387510552 /nfs/dbraw/zinc/51/05/52/387510552.db2.gz NFHNQCRFLRBNQN-BOXMQNKESA-N 1 0 239.319 0.561 20 30 BCEDRO C[C@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424098328 387511186 /nfs/dbraw/zinc/51/11/86/387511186.db2.gz CPBKVRHEISWHRO-VHSXEESVSA-N 1 0 209.293 0.876 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)NCCOCC1CC1 ZINC000424111168 387543556 /nfs/dbraw/zinc/54/35/56/387543556.db2.gz GMWSTPZSHGYGQP-NSHDSACASA-N 1 0 239.319 0.550 20 30 BCEDRO CO[C@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424101714 387527480 /nfs/dbraw/zinc/52/74/80/387527480.db2.gz ZDYVNSCINYTXAM-QWRGUYRKSA-N 1 0 239.319 0.645 20 30 BCEDRO C=CCCOCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417968038 387527708 /nfs/dbraw/zinc/52/77/08/387527708.db2.gz WAQKRDBONSKNJF-SNVBAGLBSA-N 1 0 229.324 0.568 20 30 BCEDRO C#CCN(C)CC(=O)NCc1ccc(C#N)cc1 ZINC000277061356 387528067 /nfs/dbraw/zinc/52/80/67/387528067.db2.gz WBBXGTVFJRMYAA-UHFFFAOYSA-N 1 0 241.294 0.739 20 30 BCEDRO C=CCCOCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417968037 387528931 /nfs/dbraw/zinc/52/89/31/387528931.db2.gz WAQKRDBONSKNJF-JTQLQIEISA-N 1 0 229.324 0.568 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425785200 387530218 /nfs/dbraw/zinc/53/02/18/387530218.db2.gz RYXBTFXEFWKFLA-GARJFASQSA-N 1 0 238.335 0.928 20 30 BCEDRO C=CCOCC(=O)N(C)CCC[NH2+]C ZINC000424027496 387468927 /nfs/dbraw/zinc/46/89/27/387468927.db2.gz BNNWASGGXWLHQJ-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]([NH3+])C1 ZINC000424061903 387473405 /nfs/dbraw/zinc/47/34/05/387473405.db2.gz ULSQYOWNYLGECH-TUAOUCFPSA-N 1 0 238.331 0.917 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000424060673 387473885 /nfs/dbraw/zinc/47/38/85/387473885.db2.gz QMTRGVSPRRUFBM-TUAOUCFPSA-N 1 0 238.331 0.775 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000424062867 387474234 /nfs/dbraw/zinc/47/42/34/387474234.db2.gz WGVWTVNYROHHLB-UTUOFQBUSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000424075046 387478341 /nfs/dbraw/zinc/47/83/41/387478341.db2.gz ILNSSQAGCJUZGY-SECBINFHSA-N 1 0 235.291 0.118 20 30 BCEDRO CCOCCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424080287 387479493 /nfs/dbraw/zinc/47/94/93/387479493.db2.gz SLXOTMWDKDKCHK-SNVBAGLBSA-N 1 0 227.308 0.550 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]1C[NH3+] ZINC000424080929 387482423 /nfs/dbraw/zinc/48/24/23/387482423.db2.gz UJMGJPPFKUXTGI-UTUOFQBUSA-N 1 0 238.331 0.917 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@H](C)C[NH3+] ZINC000424083450 387482524 /nfs/dbraw/zinc/48/25/24/387482524.db2.gz XLQDWOOYHMRDOC-MXWKQRLJSA-N 1 0 226.320 0.773 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCSCC1 ZINC000424084282 387485631 /nfs/dbraw/zinc/48/56/31/387485631.db2.gz NZRWPYYFOKGDFJ-SECBINFHSA-N 1 0 227.333 0.583 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000274787757 387488623 /nfs/dbraw/zinc/48/86/23/387488623.db2.gz KTPPDXALUHXKTM-QWRGUYRKSA-N 1 0 235.331 0.958 20 30 BCEDRO C=C(C)CC[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000274795143 387493387 /nfs/dbraw/zinc/49/33/87/387493387.db2.gz PHOHSCLFWWCAEN-LBPRGKRZSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NC(C)C ZINC000327951478 387603450 /nfs/dbraw/zinc/60/34/50/387603450.db2.gz ADLFRBJSRZYOPP-UHFFFAOYSA-N 1 0 211.309 0.649 20 30 BCEDRO CC#CCCNC(=O)NC(C)(C)CC[NH3+] ZINC000422621625 387608787 /nfs/dbraw/zinc/60/87/87/387608787.db2.gz QYDGWQAFKQIYTH-UHFFFAOYSA-N 1 0 211.309 0.826 20 30 BCEDRO COCC[C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424112755 387548112 /nfs/dbraw/zinc/54/81/12/387548112.db2.gz KSQKSRYCXZJCOT-NXEZZACHSA-N 1 0 227.308 0.549 20 30 BCEDRO C=C(Cl)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278939525 387559310 /nfs/dbraw/zinc/55/93/10/387559310.db2.gz UIESXAHJQPBXSD-JTQLQIEISA-N 1 0 214.696 0.951 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ccncc1C#N ZINC000399731917 387569752 /nfs/dbraw/zinc/56/97/52/387569752.db2.gz MEIXVSBODXUUIE-UHFFFAOYSA-N 1 0 228.299 0.742 20 30 BCEDRO C#CCOc1ccc(C[NH2+][C@H](CO)COC)cc1 ZINC000279853270 387570986 /nfs/dbraw/zinc/57/09/86/387570986.db2.gz RYGSUQFCPQYDJU-CYBMUJFWSA-N 1 0 249.310 0.796 20 30 BCEDRO C=C(CC)C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000426482848 387574246 /nfs/dbraw/zinc/57/42/46/387574246.db2.gz ATJYPCHVKNGYGC-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418776809 387575594 /nfs/dbraw/zinc/57/55/94/387575594.db2.gz XTVNHWOTGZDHAS-NXEZZACHSA-N 1 0 227.308 0.239 20 30 BCEDRO CC[C@H](C)[C@H](O)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424140399 387690253 /nfs/dbraw/zinc/69/02/53/387690253.db2.gz ODPSOMLIPUZOIK-HBNTYKKESA-N 1 0 241.335 0.531 20 30 BCEDRO CC[C@H](C)[C@@H](O)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424140397 387690268 /nfs/dbraw/zinc/69/02/68/387690268.db2.gz ODPSOMLIPUZOIK-DCAQKATOSA-N 1 0 241.335 0.531 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)CCCO ZINC000440939822 387712222 /nfs/dbraw/zinc/71/22/22/387712222.db2.gz FCNDQJGJYMIZQC-UHFFFAOYSA-N 1 0 227.308 0.063 20 30 BCEDRO C=CCOCC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000440935568 387713944 /nfs/dbraw/zinc/71/39/44/387713944.db2.gz WFDCFRPKYNNIRI-MNOVXSKESA-N 1 0 238.331 0.930 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@H](C)C[C@@H](O)C2)C1=O ZINC000452072540 387726210 /nfs/dbraw/zinc/72/62/10/387726210.db2.gz VFQWCVSSNBIRCR-UTUOFQBUSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCCC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000452377932 387812422 /nfs/dbraw/zinc/81/24/22/387812422.db2.gz SOLITQBWGWWEBM-LBPRGKRZSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H](O)C1 ZINC000049773466 387787229 /nfs/dbraw/zinc/78/72/29/387787229.db2.gz VGSDPACASRTFFQ-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000049773468 387788424 /nfs/dbraw/zinc/78/84/24/387788424.db2.gz VGSDPACASRTFFQ-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CC[C@H](C)[NH2+][C@H]1CCN[C@@H]1C(=O)OCC ZINC000422984852 387796520 /nfs/dbraw/zinc/79/65/20/387796520.db2.gz ZKWCFXXZDHIXQB-DCAQKATOSA-N 1 0 226.320 0.834 20 30 BCEDRO C=CCOCCCC(=O)NCC[NH2+]C ZINC000151262400 387810667 /nfs/dbraw/zinc/81/06/67/387810667.db2.gz YLWAGIQOLHVBFK-UHFFFAOYSA-N 1 0 200.282 0.305 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000564081033 387820590 /nfs/dbraw/zinc/82/05/90/387820590.db2.gz XGQZMGTVXLQPAN-SECBINFHSA-N 1 0 212.293 0.121 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000564081034 387821038 /nfs/dbraw/zinc/82/10/38/387821038.db2.gz XGQZMGTVXLQPAN-VIFPVBQESA-N 1 0 212.293 0.121 20 30 BCEDRO C=CCC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000168562978 387829490 /nfs/dbraw/zinc/82/94/90/387829490.db2.gz OJGWRJWFIUIGJB-UHFFFAOYSA-N 1 0 230.289 0.593 20 30 BCEDRO COC[C@H]([NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC000353978730 387837132 /nfs/dbraw/zinc/83/71/32/387837132.db2.gz NBFQACDGRPTSHG-JTQLQIEISA-N 1 0 235.291 0.164 20 30 BCEDRO C[C@@H]1OCCN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H]1C ZINC000424162090 387844876 /nfs/dbraw/zinc/84/48/76/387844876.db2.gz ZFTQSBCPBYOZHE-DCAQKATOSA-N 1 0 239.319 0.643 20 30 BCEDRO CS[C@@H](C)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424162138 387844950 /nfs/dbraw/zinc/84/49/50/387844950.db2.gz ZGZDXULARJSSNS-DTWKUNHWSA-N 1 0 229.349 0.875 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000442838229 387848305 /nfs/dbraw/zinc/84/83/05/387848305.db2.gz SCCWELAXILPZCV-UWVGGRQHSA-N 1 0 247.302 0.421 20 30 BCEDRO CCC[C@H](C(=O)N1CCO[C@H](C#N)C1)[NH+](C)C ZINC000162031420 387866725 /nfs/dbraw/zinc/86/67/25/387866725.db2.gz YYJZQSFFMYVZCJ-GHMZBOCLSA-N 1 0 239.319 0.468 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@H](C)[C@@H](C)[NH3+])nn1 ZINC000424179736 387890427 /nfs/dbraw/zinc/89/04/27/387890427.db2.gz UBFCEIWRIVZVDS-RKDXNWHRSA-N 1 0 237.307 0.320 20 30 BCEDRO C=CCCn1cc(C(=O)NC[C@@H]([NH3+])CC)nn1 ZINC000424179054 387891531 /nfs/dbraw/zinc/89/15/31/387891531.db2.gz SGUJQHZDBJSFTP-VIFPVBQESA-N 1 0 237.307 0.321 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000435226582 387896102 /nfs/dbraw/zinc/89/61/02/387896102.db2.gz PEOYAMRHIOOQAG-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C=C(C)CCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000452720699 387897429 /nfs/dbraw/zinc/89/74/29/387897429.db2.gz XQJZYJLAVGGINS-LBPRGKRZSA-N 1 0 237.347 0.459 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@H]2CCCC(=O)N2)cc1C#N ZINC000433176671 387881202 /nfs/dbraw/zinc/88/12/02/387881202.db2.gz REXMMXWDAFLQGV-NSHDSACASA-N 1 0 246.314 0.655 20 30 BCEDRO COC(=O)[C@H](C)N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424185437 387903247 /nfs/dbraw/zinc/90/32/47/387903247.db2.gz ZXCVPPRRCFQAFW-IUCAKERBSA-N 1 0 241.291 0.027 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000424208757 387930136 /nfs/dbraw/zinc/93/01/36/387930136.db2.gz KPBCSUZISFDVED-MMWGEVLESA-N 1 0 242.294 0.394 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C1([NH3+])CCC1 ZINC000424208696 387930192 /nfs/dbraw/zinc/93/01/92/387930192.db2.gz KJDLGAPAPHYDDZ-UWVGGRQHSA-N 1 0 224.304 0.575 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[NH2+]1 ZINC000424212436 387931178 /nfs/dbraw/zinc/93/11/78/387931178.db2.gz OWUFJAKVLOIHTB-AEJSXWLSSA-N 1 0 210.277 0.056 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]2CC[C@@H]([NH3+])C2)nn1 ZINC000424215358 387932661 /nfs/dbraw/zinc/93/26/61/387932661.db2.gz ZXHQMSYGOOGXPJ-NXEZZACHSA-N 1 0 249.318 0.208 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000424217028 387933436 /nfs/dbraw/zinc/93/34/36/387933436.db2.gz KDHSGDJTLXWLKP-NOHGZBONSA-N 1 0 233.315 0.794 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H](F)C[NH2+]2)C1 ZINC000424217387 387934696 /nfs/dbraw/zinc/93/46/96/387934696.db2.gz LEOJRCADFYORAI-AXTSPUMRSA-N 1 0 225.267 0.495 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000424217695 387935410 /nfs/dbraw/zinc/93/54/10/387935410.db2.gz NHSMLHPLNUQQIC-HBNTYKKESA-N 1 0 221.304 0.937 20 30 BCEDRO C[C@@]1(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC[NH2+]C1 ZINC000424219045 387936364 /nfs/dbraw/zinc/93/63/64/387936364.db2.gz YYBTZJPFFUUMOD-HOSYDEDBSA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[C@H]([NH3+])C2)C1 ZINC000424219071 387936457 /nfs/dbraw/zinc/93/64/57/387936457.db2.gz ZDIBCBYUYSLXBJ-ZRUFSTJUSA-N 1 0 221.304 0.922 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@]1(CO)CCC ZINC000444773202 387926659 /nfs/dbraw/zinc/92/66/59/387926659.db2.gz QIOXXBFMHUKKOS-CYBMUJFWSA-N 1 0 240.347 0.916 20 30 BCEDRO C[C@@H](C[S@](C)=O)[N@H+](C)CCCC#N ZINC000185115567 387954150 /nfs/dbraw/zinc/95/41/50/387954150.db2.gz UNPHTEVXSQXVJS-ZANVPECISA-N 1 0 202.323 0.989 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044828085 387944152 /nfs/dbraw/zinc/94/41/52/387944152.db2.gz IXBPGSINFCQQKJ-ZJUUUORDSA-N 1 0 209.293 0.604 20 30 BCEDRO C[N@H+](CC(=O)N(CCC#N)CCC#N)C1CC1 ZINC000065588646 387983878 /nfs/dbraw/zinc/98/38/78/387983878.db2.gz DCOUIZOTHGPOHB-UHFFFAOYSA-N 1 0 234.303 0.737 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+](C)C[C@H](C)O ZINC000245801225 387984150 /nfs/dbraw/zinc/98/41/50/387984150.db2.gz PIOPTFFZRZSARU-VHSXEESVSA-N 1 0 227.308 0.060 20 30 BCEDRO C#CCN1CCCC[C@H]1CNS(C)(=O)=O ZINC000045943903 388004348 /nfs/dbraw/zinc/00/43/48/388004348.db2.gz MBTUSPOUCJYASR-JTQLQIEISA-N 1 0 230.333 0.023 20 30 BCEDRO C[NH2+][C@H]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000424460998 388012643 /nfs/dbraw/zinc/01/26/43/388012643.db2.gz CBLQGSFDLDWRID-AXFHLTTASA-N 1 0 236.319 0.682 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[NH2+]C ZINC000424478295 388034814 /nfs/dbraw/zinc/03/48/14/388034814.db2.gz NBHUHEWIULFCDK-QWRGUYRKSA-N 1 0 241.335 0.486 20 30 BCEDRO C[C@@H](CC[NH3+])NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424479515 388036235 /nfs/dbraw/zinc/03/62/35/388036235.db2.gz OTVDRINLQZDSOF-LPEHRKFASA-N 1 0 224.308 0.715 20 30 BCEDRO CC#CC[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000447391560 388068631 /nfs/dbraw/zinc/06/86/31/388068631.db2.gz KANATPHFAQUKBK-QWHCGFSZSA-N 1 0 241.331 0.356 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000084796686 388081496 /nfs/dbraw/zinc/08/14/96/388081496.db2.gz BMAALPHBTLHCEC-GMTAPVOTSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@@H](O)CNC(=[NH2+])N[C@H]1CCOc2ccccc21 ZINC000083029651 388045052 /nfs/dbraw/zinc/04/50/52/388045052.db2.gz YQQLOTSMNOXASH-KOLCDFICSA-N 1 0 249.314 0.795 20 30 BCEDRO C=CCOCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000646191776 388162150 /nfs/dbraw/zinc/16/21/50/388162150.db2.gz RNQDSYVESJKWMX-NXEZZACHSA-N 1 0 229.324 0.614 20 30 BCEDRO C[C@@H](CNC(=O)NCC1(CC#N)CC1)[NH+](C)C ZINC000454888396 388138232 /nfs/dbraw/zinc/13/82/32/388138232.db2.gz PGXXOJAMCJZVSD-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000490760200 388252547 /nfs/dbraw/zinc/25/25/47/388252547.db2.gz KAEOLJGLRAXVNJ-LLVKDONJSA-N 1 0 204.273 0.033 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000490840228 388256514 /nfs/dbraw/zinc/25/65/14/388256514.db2.gz MYQIPJPWRWOZIV-NSHDSACASA-N 1 0 223.320 0.651 20 30 BCEDRO C=C(C)CS(=O)(=O)NCCC[NH+](C)C ZINC000489046325 388202866 /nfs/dbraw/zinc/20/28/66/388202866.db2.gz SRXZYXYBJHUPNZ-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000646315916 388210731 /nfs/dbraw/zinc/21/07/31/388210731.db2.gz SYUVLRGXCSTCGP-CYBMUJFWSA-N 1 0 238.331 0.791 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)[C@@H](CC)[NH+](C)C ZINC000456765100 388219213 /nfs/dbraw/zinc/21/92/13/388219213.db2.gz GIXPWVRBMUGXMD-WDEREUQCSA-N 1 0 228.336 0.770 20 30 BCEDRO C[N@H+](CC(=O)NCC#N)C1(C)CCCC1 ZINC000489874672 388226786 /nfs/dbraw/zinc/22/67/86/388226786.db2.gz LZPBDFDPWPHRCB-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000518370433 256568631 /nfs/dbraw/zinc/56/86/31/256568631.db2.gz BMRGZVREWTVYSQ-HBNTYKKESA-N 1 0 243.351 0.739 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CCN(C)CC2)CC1 ZINC000490555942 388240151 /nfs/dbraw/zinc/24/01/51/388240151.db2.gz NKCFVLRNCIMEMI-UHFFFAOYSA-N 1 0 249.358 0.106 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000490556926 388240874 /nfs/dbraw/zinc/24/08/74/388240874.db2.gz USDQACCVNVJLOI-MNOVXSKESA-N 1 0 221.304 0.546 20 30 BCEDRO C#CCNC(=O)N[C@H](C)C[NH+](CC)CC ZINC000490590146 388241614 /nfs/dbraw/zinc/24/16/14/388241614.db2.gz PKCNCECWRYIMKM-SNVBAGLBSA-N 1 0 211.309 0.649 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000490669611 388246741 /nfs/dbraw/zinc/24/67/41/388246741.db2.gz IAKBAILLXSTXQV-NSHDSACASA-N 1 0 223.320 0.601 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(O)(CC)CC1 ZINC000490691768 388247497 /nfs/dbraw/zinc/24/74/97/388247497.db2.gz XKIPUMSHGNLPME-NSHDSACASA-N 1 0 238.331 0.361 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000491267901 388281564 /nfs/dbraw/zinc/28/15/64/388281564.db2.gz WJPNAEXHGOFVBP-WDEREUQCSA-N 1 0 239.319 0.013 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C[N@@H+](CC)C1CC1 ZINC000491285495 388282308 /nfs/dbraw/zinc/28/23/08/388282308.db2.gz CZGPQVSPLKDDPI-JTQLQIEISA-N 1 0 208.305 0.951 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000491288002 388282325 /nfs/dbraw/zinc/28/23/25/388282325.db2.gz PDABZUAGIPKNKT-LLVKDONJSA-N 1 0 221.304 0.702 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000341990137 256631451 /nfs/dbraw/zinc/63/14/51/256631451.db2.gz KLEASERGGJGSHC-GFCCVEGCSA-N 1 0 237.303 0.129 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCC[C@H]2OC)C1=O ZINC000451636989 388286319 /nfs/dbraw/zinc/28/63/19/388286319.db2.gz ZNQFVTQMQWXNIL-GRYCIOLGSA-N 1 0 238.331 0.930 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@H]([NH3+])C1CC1)C(C)C ZINC000491338866 388286539 /nfs/dbraw/zinc/28/65/39/388286539.db2.gz LYRCMXHTJCKMJI-WDEREUQCSA-N 1 0 223.320 0.681 20 30 BCEDRO C#CCNC(=O)N1CCC([C@H]2CC[NH2+]C2)CC1 ZINC000491340458 388287154 /nfs/dbraw/zinc/28/71/54/388287154.db2.gz XXJJNVCZXNTRRC-LBPRGKRZSA-N 1 0 235.331 0.651 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N1CCCC1 ZINC000451678653 388289115 /nfs/dbraw/zinc/28/91/15/388289115.db2.gz FGRVDZQBFYIQIS-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@](C)(O)C(=O)OC ZINC000451681428 388289528 /nfs/dbraw/zinc/28/95/28/388289528.db2.gz MIVPDPAASAOLKL-SCVCMEIPSA-N 1 0 243.303 0.234 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000491380926 388290246 /nfs/dbraw/zinc/29/02/46/388290246.db2.gz BRDUWAYWFSDPAB-VHSXEESVSA-N 1 0 209.293 0.436 20 30 BCEDRO C#CCN(C[C@@H]1C[C@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000491384914 388290931 /nfs/dbraw/zinc/29/09/31/388290931.db2.gz QBPJQVYOYCTPLT-WOPDTQHZSA-N 1 0 241.356 0.765 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[C@H]1CC[NH2+]C1)C(C)C ZINC000491440605 388294885 /nfs/dbraw/zinc/29/48/85/388294885.db2.gz PUCGZCJENQSUIV-VXGBXAGGSA-N 1 0 237.347 0.943 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCCC[C@@H]1O ZINC000491484616 388298236 /nfs/dbraw/zinc/29/82/36/388298236.db2.gz JVBKXLQUHZLPPK-NEPJUHHUSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000491503902 388299455 /nfs/dbraw/zinc/29/94/55/388299455.db2.gz FNRUKZKQBNLKEO-NSHDSACASA-N 1 0 244.360 0.223 20 30 BCEDRO C#CC[NH+](CC#C)CCC(=O)Nc1cccnc1 ZINC000491514759 388300290 /nfs/dbraw/zinc/30/02/90/388300290.db2.gz JWTRRMGWJHJBFS-UHFFFAOYSA-N 1 0 241.294 0.979 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@H](C[NH3+])C1CC1)C(C)C ZINC000491523382 388300867 /nfs/dbraw/zinc/30/08/67/388300867.db2.gz DOWHQZJZLXZHSQ-GHMZBOCLSA-N 1 0 223.320 0.681 20 30 BCEDRO C#CCN(C(=O)NCC[NH3+])C1CCCC1 ZINC000491524491 388301237 /nfs/dbraw/zinc/30/12/37/388301237.db2.gz MCLNKBWBDOUKOG-UHFFFAOYSA-N 1 0 209.293 0.533 20 30 BCEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](C)[C@@H](C)C2)C1=O ZINC000491535562 388301738 /nfs/dbraw/zinc/30/17/38/388301738.db2.gz CSRDSOQRDFERRI-WOPDTQHZSA-N 1 0 248.326 0.725 20 30 BCEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@@H](C)[C@H](C)C2)C1=O ZINC000491535561 388301945 /nfs/dbraw/zinc/30/19/45/388301945.db2.gz CSRDSOQRDFERRI-UTUOFQBUSA-N 1 0 248.326 0.725 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@@H](C)[NH2+]CC ZINC000491537075 388302182 /nfs/dbraw/zinc/30/21/82/388302182.db2.gz OBRNJGLEEZGHQW-ZJUUUORDSA-N 1 0 211.309 0.648 20 30 BCEDRO C#CC[N@@H+](CC#CC)C[C@@H]1CCCNC1=O ZINC000491542527 388302511 /nfs/dbraw/zinc/30/25/11/388302511.db2.gz APVAMGUCRCIJDX-LBPRGKRZSA-N 1 0 218.300 0.471 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCn1cccn1 ZINC000491553880 388303449 /nfs/dbraw/zinc/30/34/49/388303449.db2.gz DILVEZKGKXUIRZ-UHFFFAOYSA-N 1 0 234.303 0.002 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CCO)C(C)(C)C ZINC000491556738 388303864 /nfs/dbraw/zinc/30/38/64/388303864.db2.gz YWZFFIBXBHEAAA-LLVKDONJSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000491565806 388303921 /nfs/dbraw/zinc/30/39/21/388303921.db2.gz CKBXNVNKSHQVAL-CYBMUJFWSA-N 1 0 247.342 0.654 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](C)CC(=O)N(C)C ZINC000491566977 388304340 /nfs/dbraw/zinc/30/43/40/388304340.db2.gz IZTOHQUBSYCYBA-LBPRGKRZSA-N 1 0 239.363 0.398 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](OC(C)C)C1 ZINC000491615238 388304707 /nfs/dbraw/zinc/30/47/07/388304707.db2.gz CAEKUFMCAXVMIO-GFCCVEGCSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000491615892 388304817 /nfs/dbraw/zinc/30/48/17/388304817.db2.gz HNQXXEWCUNHWBH-LLVKDONJSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCN(C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000491620651 388305322 /nfs/dbraw/zinc/30/53/22/388305322.db2.gz CPZJPXGSFFCGHN-GFCCVEGCSA-N 1 0 210.321 0.397 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000491628028 388306078 /nfs/dbraw/zinc/30/60/78/388306078.db2.gz KJLDOVPIQNMCOP-STQMWFEESA-N 1 0 249.310 0.318 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)COc1ccc(C)cc1 ZINC000491628023 388306247 /nfs/dbraw/zinc/30/62/47/388306247.db2.gz KJLDOVPIQNMCOP-OLZOCXBDSA-N 1 0 249.310 0.318 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1COC ZINC000491631802 388306603 /nfs/dbraw/zinc/30/66/03/388306603.db2.gz RRDIPUICMFNVDP-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@]1(C#N)C[C@H]1C ZINC000491636290 388307191 /nfs/dbraw/zinc/30/71/91/388307191.db2.gz XGACNZYPIRVENS-YPMHNXCESA-N 1 0 233.315 0.607 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C#C)CC ZINC000491655383 388308285 /nfs/dbraw/zinc/30/82/85/388308285.db2.gz HKAQMPCGBXPAPN-GFCCVEGCSA-N 1 0 235.331 0.653 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)COC1CCOCC1 ZINC000491654514 388308342 /nfs/dbraw/zinc/30/83/42/388308342.db2.gz AOFWOZFSEPRMFO-RYUDHWBXSA-N 1 0 241.331 0.496 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000491656360 388308441 /nfs/dbraw/zinc/30/84/41/388308441.db2.gz IIQLWHPIQABDBO-NEPJUHHUSA-N 1 0 235.331 0.888 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)[C@@H]1CCOC1 ZINC000491657171 388308571 /nfs/dbraw/zinc/30/85/71/388308571.db2.gz JRHKNALAWWBFLW-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@H]([NH3+])CC)C(C)C ZINC000491659455 388308983 /nfs/dbraw/zinc/30/89/83/388308983.db2.gz BTHSMWHTNBKQKN-NXEZZACHSA-N 1 0 211.309 0.681 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000491663245 388309162 /nfs/dbraw/zinc/30/91/62/388309162.db2.gz PCLMKUFRPZMQAV-MNOVXSKESA-N 1 0 235.283 0.416 20 30 BCEDRO C#CCn1ccc(CN(CC)Cn2cnnc2)n1 ZINC000491663354 388309338 /nfs/dbraw/zinc/30/93/38/388309338.db2.gz DJSFRWGSFHAPNF-UHFFFAOYSA-N 1 0 244.302 0.587 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000491672295 388309770 /nfs/dbraw/zinc/30/97/70/388309770.db2.gz TWSQKYRLGRFPMG-NWDGAFQWSA-N 1 0 236.315 0.187 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1O ZINC000491672528 388309829 /nfs/dbraw/zinc/30/98/29/388309829.db2.gz SESUCXYFNOGPLU-GHMZBOCLSA-N 1 0 224.304 0.019 20 30 BCEDRO C#CCO[C@H](C)C(=O)OC[C@H]1CCC[N@@H+]1CC#C ZINC000491672261 388309955 /nfs/dbraw/zinc/30/99/55/388309955.db2.gz ROXHWZMSBQGDHT-CHWSQXEVSA-N 1 0 249.310 0.666 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@H](CCC)C1 ZINC000491677929 388310183 /nfs/dbraw/zinc/31/01/83/388310183.db2.gz RYBZTSAPPBXAQO-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CC(C)(C)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000491690168 388311089 /nfs/dbraw/zinc/31/10/89/388311089.db2.gz LGRGDLUMSOMDHC-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)COC ZINC000491693941 388311408 /nfs/dbraw/zinc/31/14/08/388311408.db2.gz VAQBOSOCHNKSQB-LLVKDONJSA-N 1 0 241.335 0.276 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)[C@H](C)CCC ZINC000491693540 388311524 /nfs/dbraw/zinc/31/15/24/388311524.db2.gz CZVWHUNHVWKBNX-NEPJUHHUSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CC[N@@H+](CCOCC(=O)OCC)C1CC1 ZINC000491692768 388311560 /nfs/dbraw/zinc/31/15/60/388311560.db2.gz BQVCXBSJWQQMKA-UHFFFAOYSA-N 1 0 225.288 0.664 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000491700777 388312658 /nfs/dbraw/zinc/31/26/58/388312658.db2.gz PCKPXPGVJAUUDA-VXGBXAGGSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CCN(CC#CC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000491701958 388312999 /nfs/dbraw/zinc/31/29/99/388312999.db2.gz IHDLTLRNPDZTCT-AWEZNQCLSA-N 1 0 234.343 0.400 20 30 BCEDRO C#CCNC(=O)N1CCc2ccccc2[C@@H]1C[NH3+] ZINC000491706035 388313406 /nfs/dbraw/zinc/31/34/06/388313406.db2.gz WIDVHZGSIRCRQW-ZDUSSCGKSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CCN(C)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000491705934 388313454 /nfs/dbraw/zinc/31/34/54/388313454.db2.gz MNMPAOXIKUSJMU-JTQLQIEISA-N 1 0 211.309 0.634 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000491707739 388313512 /nfs/dbraw/zinc/31/35/12/388313512.db2.gz STRZWNDTVOOFMT-NTZNESFSSA-N 1 0 237.347 0.977 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C=Cc1c[nH]cn1 ZINC000491709832 388313744 /nfs/dbraw/zinc/31/37/44/388313744.db2.gz PXGRGZJYEQYOKG-WAYWQWQTSA-N 1 0 246.314 0.494 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000491724877 388314728 /nfs/dbraw/zinc/31/47/28/388314728.db2.gz HFFZWQSYANEGNZ-SKDRFNHKSA-N 1 0 241.237 0.582 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000491724870 388314745 /nfs/dbraw/zinc/31/47/45/388314745.db2.gz HFFZWQSYANEGNZ-BXKDBHETSA-N 1 0 241.237 0.582 20 30 BCEDRO C#C[C@H](CC)NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000491732241 388315824 /nfs/dbraw/zinc/31/58/24/388315824.db2.gz JDSXCCNFJAXLGD-ZJUUUORDSA-N 1 0 246.314 0.978 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000491732240 388315992 /nfs/dbraw/zinc/31/59/92/388315992.db2.gz JDSXCCNFJAXLGD-VHSXEESVSA-N 1 0 246.314 0.978 20 30 BCEDRO C#CCN(CC#CC)C[C@@H]1CN(C)C(=O)O1 ZINC000491735066 388316081 /nfs/dbraw/zinc/31/60/81/388316081.db2.gz UAYCQCAFMROUAQ-NSHDSACASA-N 1 0 220.272 0.396 20 30 BCEDRO C#CCN(C(=O)NC[C@H](C)[NH+](C)C)C1CC1 ZINC000491735847 388316268 /nfs/dbraw/zinc/31/62/68/388316268.db2.gz QEXPPICZABDMSD-JTQLQIEISA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)CSC ZINC000491781811 388316723 /nfs/dbraw/zinc/31/67/23/388316723.db2.gz OEZRYKUVBLTLGH-VIFPVBQESA-N 1 0 214.334 0.467 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000491738842 388316784 /nfs/dbraw/zinc/31/67/84/388316784.db2.gz WRSLUHNKINGGBE-SECBINFHSA-N 1 0 245.273 0.648 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NCCOCC[NH+](C)C ZINC000491742594 388317101 /nfs/dbraw/zinc/31/71/01/388317101.db2.gz VOHIBBGKJYVHKJ-NSHDSACASA-N 1 0 241.335 0.276 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)C[NH+](CC)CC ZINC000491747690 388317316 /nfs/dbraw/zinc/31/73/16/388317316.db2.gz QFOXYYJCOFVFKJ-NSHDSACASA-N 1 0 224.304 0.189 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CC12CC2 ZINC000491752106 388317887 /nfs/dbraw/zinc/31/78/87/388317887.db2.gz ZAHQBHXMYWBMFR-LLVKDONJSA-N 1 0 235.331 0.793 20 30 BCEDRO C#CC(C)(C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000491755137 388318131 /nfs/dbraw/zinc/31/81/31/388318131.db2.gz YGMJHFCUQATDDA-UHFFFAOYSA-N 1 0 248.330 0.586 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000491752894 388318188 /nfs/dbraw/zinc/31/81/88/388318188.db2.gz XHULNCQQWTZCKG-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000491753670 388318264 /nfs/dbraw/zinc/31/82/64/388318264.db2.gz OXKOZKCYJKPCRC-OLZOCXBDSA-N 1 0 247.342 0.795 20 30 BCEDRO C#C[C@H](C)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000491758181 388318537 /nfs/dbraw/zinc/31/85/37/388318537.db2.gz HMHLYQMROBCQRP-JQWIXIFHSA-N 1 0 210.321 0.395 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000491764128 388318830 /nfs/dbraw/zinc/31/88/30/388318830.db2.gz CUIVTZHQAXTYIH-OUAUKWLOSA-N 1 0 223.320 0.648 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000491775715 388319635 /nfs/dbraw/zinc/31/96/35/388319635.db2.gz VJMSXSUEYLMHDG-GHMZBOCLSA-N 1 0 208.305 0.808 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000491775791 388319960 /nfs/dbraw/zinc/31/99/60/388319960.db2.gz DKAPMLARCSRQOJ-RWMBFGLXSA-N 1 0 222.332 0.803 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1nccn1CC ZINC000491780530 388320463 /nfs/dbraw/zinc/32/04/63/388320463.db2.gz DPEWRTWHUDIFEP-LLVKDONJSA-N 1 0 248.330 0.693 20 30 BCEDRO C#CCN(C)C(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000491782373 388320728 /nfs/dbraw/zinc/32/07/28/388320728.db2.gz LXAYAOYLTGZOQO-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCN1CC[NH+](C(C)(C)COC)CC1 ZINC000491802712 388321539 /nfs/dbraw/zinc/32/15/39/388321539.db2.gz GQDWZRFDUMGOPA-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@H]([NH3+])C(C)C ZINC000491804907 388321700 /nfs/dbraw/zinc/32/17/00/388321700.db2.gz MTNORSJCVHZJDT-JTQLQIEISA-N 1 0 211.309 0.634 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H]1C1CC1 ZINC000491806105 388321864 /nfs/dbraw/zinc/32/18/64/388321864.db2.gz QFJWPBQHAPVJEW-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)[C@H](O)C(F)F ZINC000491804420 388321904 /nfs/dbraw/zinc/32/19/04/388321904.db2.gz LVIXMYPCBPLXRM-SCZZXKLOSA-N 1 0 248.273 0.120 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000491807434 388322008 /nfs/dbraw/zinc/32/20/08/388322008.db2.gz SHSAOVGBRDKYKE-MNOVXSKESA-N 1 0 235.331 0.921 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC1CC[NH2+]CC1 ZINC000491808487 388322294 /nfs/dbraw/zinc/32/22/94/388322294.db2.gz VUPUBVDZTYHXPM-SNVBAGLBSA-N 1 0 223.320 0.840 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000491810967 388322658 /nfs/dbraw/zinc/32/26/58/388322658.db2.gz ATEVBZRFQSHJTI-SDDRHHMPSA-N 1 0 237.347 0.941 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H]1CCC[NH2+]C1)C(C)C ZINC000491814679 388323173 /nfs/dbraw/zinc/32/31/73/388323173.db2.gz KHVIVQFMTNQYJL-QWRGUYRKSA-N 1 0 223.320 0.695 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@H](CC)[NH+](C)C ZINC000491817207 388323670 /nfs/dbraw/zinc/32/36/70/388323670.db2.gz XZHLFQKOZCJJKJ-LBPRGKRZSA-N 1 0 220.316 0.812 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000336663314 388262053 /nfs/dbraw/zinc/26/20/53/388262053.db2.gz CVMZSAUKDFMYAH-GHMZBOCLSA-N 1 0 224.304 0.810 20 30 BCEDRO C#CCN(CC#N)C(=O)/C=C\C[NH+](C)C ZINC000490984796 388263901 /nfs/dbraw/zinc/26/39/01/388263901.db2.gz IEGADIJNMZNRFE-WAYWQWQTSA-N 1 0 205.261 0.090 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)C(C)(C)O)C1=O ZINC000451367577 388263942 /nfs/dbraw/zinc/26/39/42/388263942.db2.gz ISVZIKAKQSDOQC-QWRGUYRKSA-N 1 0 240.347 0.865 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CC(C)C2)CC1 ZINC000491043981 388267201 /nfs/dbraw/zinc/26/72/01/388267201.db2.gz FQYHSWHUOAYNIP-UHFFFAOYSA-N 1 0 220.316 0.810 20 30 BCEDRO C[C@@]12C[N@H+](CC(=O)NCC#N)C[C@H]1[C@@H]1C=C[C@H]2C1 ZINC000451376899 388267357 /nfs/dbraw/zinc/26/73/57/388267357.db2.gz WHRCAUXXFVOGEC-UHXUPSOCSA-N 1 0 245.326 0.770 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccc(O)c1 ZINC000491070542 388267559 /nfs/dbraw/zinc/26/75/59/388267559.db2.gz DCUMZLSBZRPMOZ-UHFFFAOYSA-N 1 0 232.283 0.621 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000491120168 388271414 /nfs/dbraw/zinc/27/14/14/388271414.db2.gz LNQODXAEYUFGLQ-NEPJUHHUSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)CCCS(=O)(=O)NC ZINC000491167038 388274194 /nfs/dbraw/zinc/27/41/94/388274194.db2.gz VVMAFOVHTHZPMM-UHFFFAOYSA-N 1 0 232.349 0.269 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)C[C@H]1CCCO1 ZINC000491166905 388274329 /nfs/dbraw/zinc/27/43/29/388274329.db2.gz VCKMCJIKZMEIFC-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@H]1CCC12CCCC2 ZINC000451451941 388274824 /nfs/dbraw/zinc/27/48/24/388274824.db2.gz BYRYZOGSUPDGAP-JTQLQIEISA-N 1 0 221.304 0.939 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CC1CCOCC1 ZINC000491200954 388276781 /nfs/dbraw/zinc/27/67/81/388276781.db2.gz DKWXLFGNWPWHTP-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO CO[C@]1(C)C[C@@H]([NH2+]CC(=O)NCC#N)C1(C)C ZINC000451497268 388278132 /nfs/dbraw/zinc/27/81/32/388278132.db2.gz VQCHWWCLMBLUDU-BXKDBHETSA-N 1 0 239.319 0.419 20 30 BCEDRO C[C@@H]1CC(NC(=O)C=CC[NH+](C)C)=NO1 ZINC000492389037 388343177 /nfs/dbraw/zinc/34/31/77/388343177.db2.gz FEMKVCOSXOLDRG-PULIVWKDSA-N 1 0 211.265 0.343 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000572999307 388404633 /nfs/dbraw/zinc/40/46/33/388404633.db2.gz QRIHEHTUGBEUTN-WDEREUQCSA-N 1 0 243.351 0.956 20 30 BCEDRO N#Cc1ccc2c(c1)CN(C(=O)NCC[NH3+])C2 ZINC000594533184 388357168 /nfs/dbraw/zinc/35/71/68/388357168.db2.gz IXCCGBRUGYECTF-UHFFFAOYSA-N 1 0 230.271 0.542 20 30 BCEDRO CC#CCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC000234768331 388360116 /nfs/dbraw/zinc/36/01/16/388360116.db2.gz GWXKGJPSVATQKR-NEPJUHHUSA-N 1 0 229.320 0.402 20 30 BCEDRO COC[C@@H](C[NH2+]Cc1ccc(C#N)o1)OC ZINC000227706327 388370127 /nfs/dbraw/zinc/37/01/27/388370127.db2.gz HEHKDNJHQIQKLO-LLVKDONJSA-N 1 0 224.260 0.902 20 30 BCEDRO C=CCn1cc(CN[C@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000519425050 256648751 /nfs/dbraw/zinc/64/87/51/256648751.db2.gz HBMWHRRCGPMCPN-MNOVXSKESA-N 1 0 235.335 0.824 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC000133442208 388385898 /nfs/dbraw/zinc/38/58/98/388385898.db2.gz SMCYRBANTPSDKM-UHFFFAOYSA-N 1 0 220.276 0.568 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNCc1cccc(C#N)c1 ZINC000228726324 388387883 /nfs/dbraw/zinc/38/78/83/388387883.db2.gz DQGHTQQGFNQKHI-CQSZACIVSA-N 1 0 247.342 0.960 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@@H](C)C[NH2+]C ZINC000237133956 388389843 /nfs/dbraw/zinc/38/98/43/388389843.db2.gz YIFRGRQMPRHWNQ-WDEREUQCSA-N 1 0 228.336 0.939 20 30 BCEDRO COC[C@@H](CCO)[NH2+]Cc1ccc(C#N)o1 ZINC000164634643 388395044 /nfs/dbraw/zinc/39/50/44/388395044.db2.gz OJFPQOYKOBYZRC-SECBINFHSA-N 1 0 224.260 0.638 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000648838889 388439996 /nfs/dbraw/zinc/43/99/96/388439996.db2.gz WPCXWDIYNZMOOM-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NCCN1CC[NH2+]CC1 ZINC000515066478 256731898 /nfs/dbraw/zinc/73/18/98/256731898.db2.gz QUDDVXUDFXKEIU-LBPRGKRZSA-N 1 0 239.363 0.610 20 30 BCEDRO N#CC1CC[NH+](C[C@@H](O)CC2(O)CCC2)CC1 ZINC000528366299 388450395 /nfs/dbraw/zinc/45/03/95/388450395.db2.gz UNNYRQQEMTULFO-LBPRGKRZSA-N 1 0 238.331 0.888 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000336674171 388461645 /nfs/dbraw/zinc/46/16/45/388461645.db2.gz KBIYTXUCPNCIMO-MNOVXSKESA-N 1 0 247.360 0.338 20 30 BCEDRO C=CCOCC(=O)N(C)CC(C)(C)C[NH3+] ZINC000336679394 388462475 /nfs/dbraw/zinc/46/24/75/388462475.db2.gz AIPOKKUTXDVRJL-UHFFFAOYSA-N 1 0 214.309 0.632 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)Cc1cnn(C)c1 ZINC000649224609 388462548 /nfs/dbraw/zinc/46/25/48/388462548.db2.gz UTHVDSRWOPPIPP-NSHDSACASA-N 1 0 209.293 0.789 20 30 BCEDRO C[NH+](C)CCCCC(=O)NC1(C#N)CC1 ZINC000515929729 256760407 /nfs/dbraw/zinc/76/04/07/256760407.db2.gz ZZOHECPQPPBJKU-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000646678980 388413703 /nfs/dbraw/zinc/41/37/03/388413703.db2.gz MVSMOTQWNQHPSO-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000646691277 388418601 /nfs/dbraw/zinc/41/86/01/388418601.db2.gz UTZRHPVPYLHJNK-LLVKDONJSA-N 1 0 224.304 0.088 20 30 BCEDRO C=CCOCC[N@@H+](C)CC1(O)CCOCC1 ZINC000339112561 388479359 /nfs/dbraw/zinc/47/93/59/388479359.db2.gz XOOVNLRXTNZRKP-UHFFFAOYSA-N 1 0 229.320 0.662 20 30 BCEDRO C[C@H](C[S@](C)=O)[N@H+](C)CCOCCC#N ZINC000339083422 388479471 /nfs/dbraw/zinc/47/94/71/388479471.db2.gz JEOQIVCQAXGAPA-BMIGLBTASA-N 1 0 232.349 0.615 20 30 BCEDRO COC[C@@H]1CC[N@@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528511422 388538321 /nfs/dbraw/zinc/53/83/21/388538321.db2.gz IDCKDNXALCLTQC-WDEREUQCSA-N 1 0 224.304 0.762 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)O)CC1 ZINC000177437318 388484097 /nfs/dbraw/zinc/48/40/97/388484097.db2.gz LWWLILHGZNNFFC-LLVKDONJSA-N 1 0 238.331 0.171 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000261555420 135195626 /nfs/dbraw/zinc/19/56/26/135195626.db2.gz UXEZQMWTIGKRPM-ZJUUUORDSA-N 1 0 232.349 0.622 20 30 BCEDRO C=CCN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178471913 388500821 /nfs/dbraw/zinc/50/08/21/388500821.db2.gz VQOXNYYECODVBK-GFCCVEGCSA-N 1 0 210.321 0.827 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000548042457 388505673 /nfs/dbraw/zinc/50/56/73/388505673.db2.gz UYZKNQSMBJUJCY-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)CC(C)(CO)CO ZINC000135971378 388516398 /nfs/dbraw/zinc/51/63/98/388516398.db2.gz GBLHAVIHLIVHFO-NSHDSACASA-N 1 0 231.336 0.236 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000347348216 388522123 /nfs/dbraw/zinc/52/21/23/388522123.db2.gz UDLCGQUQQUSQQB-NEPJUHHUSA-N 1 0 237.347 0.505 20 30 BCEDRO C=CCCC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000136134375 388523050 /nfs/dbraw/zinc/52/30/50/388523050.db2.gz MSXQIGQFWMJSJD-UHFFFAOYSA-N 1 0 240.347 0.916 20 30 BCEDRO N#Cc1cccc(NC(=O)C[C@H]2C[NH2+]CCO2)c1 ZINC000091299085 388610534 /nfs/dbraw/zinc/61/05/34/388610534.db2.gz ZUZYRIDWYDLKKE-LBPRGKRZSA-N 1 0 245.282 0.875 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000646814724 388550890 /nfs/dbraw/zinc/55/08/90/388550890.db2.gz MPPULWQBYDQOCB-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000646814725 388551488 /nfs/dbraw/zinc/55/14/88/388551488.db2.gz MPPULWQBYDQOCB-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(C#N)cn1 ZINC000598161204 388561437 /nfs/dbraw/zinc/56/14/37/388561437.db2.gz CIDPORQMFREBRW-UHFFFAOYSA-N 1 0 244.298 0.587 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H]1CCO[C@H]1C ZINC000328175972 388581281 /nfs/dbraw/zinc/58/12/81/388581281.db2.gz LVTFYERYENLIJG-NWDGAFQWSA-N 1 0 210.321 0.709 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)NCc1cccc(C#N)c1 ZINC000417002416 388673100 /nfs/dbraw/zinc/67/31/00/388673100.db2.gz WZWKSCUDHNASJW-SECBINFHSA-N 1 0 232.287 0.705 20 30 BCEDRO C=CCN(C[C@@H](C)OC)[C@H]1CCS(=O)(=O)C1 ZINC000248432867 388679708 /nfs/dbraw/zinc/67/97/08/388679708.db2.gz QMJTXWVDARANOI-MNOVXSKESA-N 1 0 247.360 0.696 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](COCC)C1 ZINC000246243199 388625926 /nfs/dbraw/zinc/62/59/26/388625926.db2.gz RZWWMFLQCOJPKF-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C[C@H](CO)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000304275597 388640486 /nfs/dbraw/zinc/64/04/86/388640486.db2.gz CPSBGILEUHNSPB-SECBINFHSA-N 1 0 230.271 0.676 20 30 BCEDRO 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234.303 0.847 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@](O)(CC)C2)C1=O ZINC000337206008 135007145 /nfs/dbraw/zinc/00/71/45/135007145.db2.gz LTKOXCIIGRTOPW-WCQYABFASA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)[C@@H](CO)C2)C1=O ZINC000337247863 135007761 /nfs/dbraw/zinc/00/77/61/135007761.db2.gz PFQAPCQZYWHJGY-TUAOUCFPSA-N 1 0 238.331 0.334 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](CO)C2)C1=O ZINC000337247865 135008639 /nfs/dbraw/zinc/00/86/39/135008639.db2.gz PFQAPCQZYWHJGY-WOPDTQHZSA-N 1 0 238.331 0.334 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CCCOC2)C1=O ZINC000337236689 135008995 /nfs/dbraw/zinc/00/89/95/135008995.db2.gz YDIBUOPGLCDGMF-RYUDHWBXSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCC[C@H](O)C[N@H+](C)CCOCCO ZINC000337418012 135015518 /nfs/dbraw/zinc/01/55/18/135015518.db2.gz AAJRDLPMVLZWFO-NSHDSACASA-N 1 0 217.309 0.254 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CC(C)(C#N)C1 ZINC000337564600 135019380 /nfs/dbraw/zinc/01/93/80/135019380.db2.gz 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QGZDACZJUDIIEY-CYBMUJFWSA-N 1 0 240.347 0.989 20 30 BCEDRO N#CCCOCC[N@H+]1C[C@H](O)C2(CC2)C1 ZINC000339094753 135058742 /nfs/dbraw/zinc/05/87/42/135058742.db2.gz WCYCFWQTNSGUJV-JTQLQIEISA-N 1 0 210.277 0.373 20 30 BCEDRO N#CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250830844 135060185 /nfs/dbraw/zinc/06/01/85/135060185.db2.gz JAFDWYDAEMTNSJ-NXEZZACHSA-N 1 0 207.277 0.643 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251044797 135061849 /nfs/dbraw/zinc/06/18/49/135061849.db2.gz PVQJPPSNCURSCL-ZJUUUORDSA-N 1 0 243.332 0.008 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000251021270 135062231 /nfs/dbraw/zinc/06/22/31/135062231.db2.gz DIYZZXMJRNIOCY-ZJUUUORDSA-N 1 0 245.348 0.254 20 30 BCEDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCOCCC#N ZINC000339148998 135062697 /nfs/dbraw/zinc/06/26/97/135062697.db2.gz QANNWSWOXFMCTI-NEPJUHHUSA-N 1 0 242.319 0.388 20 30 BCEDRO C[C@@H]1C[C@H](O)CC[N@@H+]1CCOCCC#N ZINC000339213089 135067906 /nfs/dbraw/zinc/06/79/06/135067906.db2.gz PIQOUBUTCJBDRD-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C1CC(O)C1 ZINC000332005622 135072944 /nfs/dbraw/zinc/07/29/44/135072944.db2.gz GNMSKTAZBXSYOB-IDKOKCKLSA-N 1 0 212.293 0.132 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000339446462 135073624 /nfs/dbraw/zinc/07/36/24/135073624.db2.gz UTWJLAFBXSOKPR-SECBINFHSA-N 1 0 209.293 0.708 20 30 BCEDRO C[C@@H]1C[N@@H+]2CCC[C@H]2CN1C(=O)CC#N ZINC000251713716 135075468 /nfs/dbraw/zinc/07/54/68/135075468.db2.gz JNVQVYBTMLNWCD-ZJUUUORDSA-N 1 0 207.277 0.595 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339617534 135076531 /nfs/dbraw/zinc/07/65/31/135076531.db2.gz VRKCYXMYKSQUTB-GRYCIOLGSA-N 1 0 239.363 0.702 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000339617537 135076770 /nfs/dbraw/zinc/07/67/70/135076770.db2.gz VRKCYXMYKSQUTB-UTUOFQBUSA-N 1 0 239.363 0.702 20 30 BCEDRO C=CCNC(=O)CN(C)CC(C)(C)C[NH3+] ZINC000086638507 135091513 /nfs/dbraw/zinc/09/15/13/135091513.db2.gz WGTSUBBCEPYHID-UHFFFAOYSA-N 1 0 213.325 0.205 20 30 BCEDRO CN1CC[NH+]=C1NCc1ccccc1[N+](=O)[O-] ZINC000261542688 135108888 /nfs/dbraw/zinc/10/88/88/135108888.db2.gz CHHCIWVONLXWKA-UHFFFAOYSA-N 1 0 234.259 0.986 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2cccc(C#N)c2)N1 ZINC000261573401 135109447 /nfs/dbraw/zinc/10/94/47/135109447.db2.gz ITZOVMGQAJOIFT-SECBINFHSA-N 1 0 214.272 0.996 20 30 BCEDRO Cc1nn(C)c(C)c1CNC1=[NH+]C[C@@H](C)N1 ZINC000261569707 135110300 /nfs/dbraw/zinc/11/03/00/135110300.db2.gz GLSWCXJLKHPVMB-SSDOTTSWSA-N 1 0 221.308 0.474 20 30 BCEDRO [NH2+]=C(NC[C@@H](O)c1ccc(F)cc1)NC1CC1 ZINC000261703790 135110939 /nfs/dbraw/zinc/11/09/39/135110939.db2.gz CVSHVJASYGTIJV-LLVKDONJSA-N 1 0 237.278 0.926 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccnn1C ZINC000261689631 135111198 /nfs/dbraw/zinc/11/11/98/135111198.db2.gz BDAGWMSVSFJVRG-MRVPVSSYSA-N 1 0 209.297 0.623 20 30 BCEDRO [NH2+]=C(NCc1cn2ccccc2n1)NC1CC1 ZINC000261709321 135111370 /nfs/dbraw/zinc/11/13/70/135111370.db2.gz DJNLLFDOXMUMAJ-UHFFFAOYSA-N 1 0 229.287 0.901 20 30 BCEDRO NC(=[NH2+])NCc1ccc(OCC2CC2)nc1 ZINC000261714559 135111450 /nfs/dbraw/zinc/11/14/50/135111450.db2.gz FADSQSVUDFLNEC-UHFFFAOYSA-N 1 0 220.276 0.644 20 30 BCEDRO [NH2+]=C(NC[C@H](O)c1cccc(F)c1)NC1CC1 ZINC000261872589 135112067 /nfs/dbraw/zinc/11/20/67/135112067.db2.gz PCSYYVNQCOAIBH-NSHDSACASA-N 1 0 237.278 0.926 20 30 BCEDRO CNC(=[NH2+])N[C@H](C)Cc1c(C)nn(C)c1C ZINC000261855379 135112269 /nfs/dbraw/zinc/11/22/69/135112269.db2.gz YQZMSBXITNXASD-SSDOTTSWSA-N 1 0 223.324 0.502 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@](C)(O)c2ccccc2)N1 ZINC000261859295 135112340 /nfs/dbraw/zinc/11/23/40/135112340.db2.gz AHBKXKUNDPABNM-GWCFXTLKSA-N 1 0 233.315 0.831 20 30 BCEDRO C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[C@H]1C ZINC000261945111 135113142 /nfs/dbraw/zinc/11/31/42/135113142.db2.gz FQIXOHQIHKEWRE-VXNVDRBHSA-N 1 0 236.323 0.197 20 30 BCEDRO CC1CCN(C(=[NH2+])NCc2nccn2C)CC1 ZINC000262007695 135114482 /nfs/dbraw/zinc/11/44/82/135114482.db2.gz SBWCDYOGKSQJNR-UHFFFAOYSA-N 1 0 235.335 0.967 20 30 BCEDRO CNC(=[NH2+])N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000262015730 135114609 /nfs/dbraw/zinc/11/46/09/135114609.db2.gz XQCKTJZDBCGNEZ-ZJUUUORDSA-N 1 0 221.308 0.711 20 30 BCEDRO C[NH+]=C(NCc1nnc2n1CCC2)N1CCCC1 ZINC000262146957 135115611 /nfs/dbraw/zinc/11/56/11/135115611.db2.gz QNNOZZDLINRQSU-UHFFFAOYSA-N 1 0 248.334 0.396 20 30 BCEDRO Cc1nccn1CCNC(=[NH2+])N(C)C1CC1 ZINC000262267147 135116571 /nfs/dbraw/zinc/11/65/71/135116571.db2.gz SCWAXLIRUMHQBR-UHFFFAOYSA-N 1 0 221.308 0.600 20 30 BCEDRO COC(=O)c1ccc(CNC(=[NH2+])NC2CC2)o1 ZINC000262182609 135116859 /nfs/dbraw/zinc/11/68/59/135116859.db2.gz FSMABNOQEDQGMP-UHFFFAOYSA-N 1 0 237.259 0.633 20 30 BCEDRO CNC(=[NH2+])N[C@H]1CCN(c2cccc(OC)c2)C1 ZINC000262190339 135116989 /nfs/dbraw/zinc/11/69/89/135116989.db2.gz YHNBZOICHWVADO-JTQLQIEISA-N 1 0 248.330 0.808 20 30 BCEDRO CN(C(=[NH2+])NCc1ccnn1C)C1CC1 ZINC000262186780 135117298 /nfs/dbraw/zinc/11/72/98/135117298.db2.gz FMAUNJXHLGXIDQ-UHFFFAOYSA-N 1 0 207.281 0.329 20 30 BCEDRO CN(C)/C(N)=[NH+]/Cc1cn2ccsc2n1 ZINC000262359683 135118156 /nfs/dbraw/zinc/11/81/56/135118156.db2.gz VKGRHCXZPYUEIY-UHFFFAOYSA-N 1 0 223.305 0.772 20 30 BCEDRO CN(C)C(=[NH2+])NCc1noc2c1CCCC2 ZINC000262345967 135118218 /nfs/dbraw/zinc/11/82/18/135118218.db2.gz ZYBWZRSUQPGVOV-UHFFFAOYSA-N 1 0 222.292 0.930 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ncnn1-c1ccccc1 ZINC000262434055 135118788 /nfs/dbraw/zinc/11/87/88/135118788.db2.gz FUMYNRIKWVVDED-UHFFFAOYSA-N 1 0 244.302 0.644 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@]1(O)CCc2ccccc21 ZINC000262478624 135118912 /nfs/dbraw/zinc/11/89/12/135118912.db2.gz CRNTZWGBHRCLBU-AWEZNQCLSA-N 1 0 245.326 0.711 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccn(C)c1 ZINC000262499832 135118989 /nfs/dbraw/zinc/11/89/89/135118989.db2.gz XWPQBVHAGRRQSI-UHFFFAOYSA-N 1 0 210.281 0.076 20 30 BCEDRO C=CCNC(=[NH+]C)N1CC[C@@H](COC)C1 ZINC000262499894 135119017 /nfs/dbraw/zinc/11/90/17/135119017.db2.gz XYBWHSVDWJHLDS-SNVBAGLBSA-N 1 0 211.309 0.716 20 30 BCEDRO Cc1cccc([C@H](O)CNC2=[NH+]CCN2C)c1 ZINC000262475922 135119074 /nfs/dbraw/zinc/11/90/74/135119074.db2.gz CBVMCIVBOPGWDM-GFCCVEGCSA-N 1 0 233.315 0.919 20 30 BCEDRO Cc1cccnc1CNC(=[NH2+])N1CCOCC1 ZINC000262508200 135119075 /nfs/dbraw/zinc/11/90/75/135119075.db2.gz BZJSCNDQEGGKEF-UHFFFAOYSA-N 1 0 234.303 0.537 20 30 BCEDRO Cc1cccc([C@@H](O)CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262630310 135119472 /nfs/dbraw/zinc/11/94/72/135119472.db2.gz FPHFYBXARCWGJO-PWSUYJOCSA-N 1 0 233.315 0.966 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCOc2ncccc2F)N1 ZINC000262659746 135120474 /nfs/dbraw/zinc/12/04/74/135120474.db2.gz MPMGUILAMYHPKK-MRVPVSSYSA-N 1 0 238.266 0.537 20 30 BCEDRO C[NH+]=C(NCc1noc(C)n1)N1CCCC1 ZINC000262636836 135120519 /nfs/dbraw/zinc/12/05/19/135120519.db2.gz GLRCIGBSYCSYMS-UHFFFAOYSA-N 1 0 223.280 0.549 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H](O)c2ccc(F)cc2)N1 ZINC000262640955 135120648 /nfs/dbraw/zinc/12/06/48/135120648.db2.gz HUDNGMUYQIFPSP-LDYMZIIASA-N 1 0 237.278 0.796 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2cccc(N(C)C)n2)N1 ZINC000262659825 135120682 /nfs/dbraw/zinc/12/06/82/135120682.db2.gz MRNWSGWIVUKNLX-SECBINFHSA-N 1 0 233.319 0.585 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2ccccc2O)N1 ZINC000262670000 135120713 /nfs/dbraw/zinc/12/07/13/135120713.db2.gz QNKYRQUDADYRLO-SECBINFHSA-N 1 0 219.288 0.872 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCC1(O)CCOCC1 ZINC000262674508 135121091 /nfs/dbraw/zinc/12/10/91/135121091.db2.gz SNWIXOCXJCHSTM-UHFFFAOYSA-N 1 0 241.335 0.398 20 30 BCEDRO CN1CC[NH+]=C1NCc1ccc(CO)c(F)c1 ZINC000262678996 135121266 /nfs/dbraw/zinc/12/12/66/135121266.db2.gz VCVOFTYXNSXQIG-UHFFFAOYSA-N 1 0 237.278 0.709 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(NC(C)=O)nc1 ZINC000262731015 135121918 /nfs/dbraw/zinc/12/19/18/135121918.db2.gz HZPDJUUQGUANGU-UHFFFAOYSA-N 1 0 247.302 0.630 20 30 BCEDRO C[NH+]=C(NCc1ccnn1C)N[C@@H]1CC1(C)C ZINC000262854957 135122596 /nfs/dbraw/zinc/12/25/96/135122596.db2.gz XYFMAGBCXXQHJR-SNVBAGLBSA-N 1 0 235.335 0.884 20 30 BCEDRO C[NH+]=C(NC1CCC1)N[C@H]1CCc2ncnn2C1 ZINC000262810474 135122799 /nfs/dbraw/zinc/12/27/99/135122799.db2.gz VAMFDBVXOOVQKR-JTQLQIEISA-N 1 0 248.334 0.310 20 30 BCEDRO CC(C)O[C@H]1C[C@@H](NC(=[NH2+])N2CCOCC2)C1 ZINC000263032980 135124159 /nfs/dbraw/zinc/12/41/59/135124159.db2.gz BOJPNDNPPIDNQV-PHIMTYICSA-N 1 0 241.335 0.589 20 30 BCEDRO C[NH+]=C(NCCC(=O)OC)NCc1ccco1 ZINC000264057370 135130533 /nfs/dbraw/zinc/13/05/33/135130533.db2.gz OINOOCRPYWEWIS-UHFFFAOYSA-N 1 0 239.275 0.508 20 30 BCEDRO C#CCN1CCN(C[C@@H]2CCCC[N@H+]2C)CC1 ZINC000078601938 135130572 /nfs/dbraw/zinc/13/05/72/135130572.db2.gz SNEDSQJTZWPXRL-AWEZNQCLSA-N 1 0 235.375 0.722 20 30 BCEDRO CNC(=O)CCNC(NCc1ccco1)=[NH+]C ZINC000264040290 135130634 /nfs/dbraw/zinc/13/06/34/135130634.db2.gz IHMXGWDWGAMSFO-UHFFFAOYSA-N 1 0 238.291 0.081 20 30 BCEDRO CCCNC(=[NH2+])NCCNC(=O)c1cccnc1 ZINC000264070957 135131118 /nfs/dbraw/zinc/13/11/18/135131118.db2.gz DDGKDNXDNJEYDE-UHFFFAOYSA-N 1 0 249.318 0.126 20 30 BCEDRO CNC(NC[C@H](O)c1ccccc1OC)=[NH+]C ZINC000264071821 135131133 /nfs/dbraw/zinc/13/11/33/135131133.db2.gz DLUNMBMOEGTBMH-JTQLQIEISA-N 1 0 237.303 0.523 20 30 BCEDRO CNC(NCc1cccc(OC)c1OC)=[NH+]C ZINC000264059932 135131167 /nfs/dbraw/zinc/13/11/67/135131167.db2.gz CMFYCLGMKZLXLH-UHFFFAOYSA-N 1 0 237.303 0.999 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCn1ccnc1C ZINC000264068702 135131181 /nfs/dbraw/zinc/13/11/81/135131181.db2.gz CIKHQINPVPVCCC-VIFPVBQESA-N 1 0 239.323 0.131 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1cccc(O)c1 ZINC000264083266 135131750 /nfs/dbraw/zinc/13/17/50/135131750.db2.gz IZZJLUZKBZKFAO-VIFPVBQESA-N 1 0 237.303 0.831 20 30 BCEDRO [NH2+]=C(NCCNC(=O)c1ccccc1)NC1CC1 ZINC000264081629 135131778 /nfs/dbraw/zinc/13/17/78/135131778.db2.gz IPXVEQKAMPCPNW-UHFFFAOYSA-N 1 0 246.314 0.483 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@H](O)c1cccc(F)c1 ZINC000264086299 135132396 /nfs/dbraw/zinc/13/23/96/135132396.db2.gz JLSFCGJAKMGWLT-SNVBAGLBSA-N 1 0 225.267 0.735 20 30 BCEDRO COc1ccccc1[C@H](O)CNC(=[NH2+])NC1CC1 ZINC000264104541 135133065 /nfs/dbraw/zinc/13/30/65/135133065.db2.gz PCZJKPKMQBIFJJ-LLVKDONJSA-N 1 0 249.314 0.795 20 30 BCEDRO CNC(=[NH2+])NCCN1c2ccccc2C[C@@H]1C ZINC000264098555 135133090 /nfs/dbraw/zinc/13/30/90/135133090.db2.gz NEFRHYLVVYUAPN-JTQLQIEISA-N 1 0 232.331 0.972 20 30 BCEDRO CC[C@H](C)NC(=O)c1cccc(CNC(N)=[NH2+])c1 ZINC000264098900 135133177 /nfs/dbraw/zinc/13/31/77/135133177.db2.gz NKJNSTGVMBTJPM-VIFPVBQESA-N 1 0 248.330 0.988 20 30 BCEDRO C=CCNC(=[NH2+])NCC(=O)N1CCCCC1 ZINC000264098567 135133297 /nfs/dbraw/zinc/13/32/97/135133297.db2.gz NENKXLCRLAVAJN-UHFFFAOYSA-N 1 0 224.308 0.089 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCC(=O)N[C@@H](C)CC ZINC000264112529 135133612 /nfs/dbraw/zinc/13/36/12/135133612.db2.gz RHIGKLVIKQGCCZ-JTQLQIEISA-N 1 0 240.351 0.772 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccc(F)cc1 ZINC000264112193 135133836 /nfs/dbraw/zinc/13/38/36/135133836.db2.gz PGQFQQZDFRLPFL-UHFFFAOYSA-N 1 0 225.267 0.876 20 30 BCEDRO COCCNC(=[NH2+])NCCc1csc(C)n1 ZINC000264142418 135134902 /nfs/dbraw/zinc/13/49/02/135134902.db2.gz WZPHAIDZTUOIGD-UHFFFAOYSA-N 1 0 242.348 0.545 20 30 BCEDRO COc1ccc(NC(=[NH2+])NCCO)cc1OC ZINC000264134628 135135076 /nfs/dbraw/zinc/13/50/76/135135076.db2.gz UWXDKBVLVHVMPE-UHFFFAOYSA-N 1 0 239.275 0.423 20 30 BCEDRO CNC(=[NH2+])NCCNC(=O)c1ccccc1F ZINC000264129942 135135193 /nfs/dbraw/zinc/13/51/93/135135193.db2.gz XTOSFMUMRMHNBK-UHFFFAOYSA-N 1 0 238.266 0.090 20 30 BCEDRO CNC(NCc1cccc(NC(C)=O)c1)=[NH+]C ZINC000264133043 135135251 /nfs/dbraw/zinc/13/52/51/135135251.db2.gz UMIJGPHAOZVTNB-UHFFFAOYSA-N 1 0 234.303 0.940 20 30 BCEDRO CNC(=[NH2+])NCCn1cnc2ccccc21 ZINC000264151891 135136005 /nfs/dbraw/zinc/13/60/05/135136005.db2.gz ZJRIZSQEPGERBV-UHFFFAOYSA-N 1 0 217.276 0.570 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000259795489 135145010 /nfs/dbraw/zinc/14/50/10/135145010.db2.gz BUNPPAHQQFRJFV-VHSXEESVSA-N 1 0 209.293 0.841 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000259821560 135145024 /nfs/dbraw/zinc/14/50/24/135145024.db2.gz DHRVPQQNUVIRQS-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000259960076 135146238 /nfs/dbraw/zinc/14/62/38/135146238.db2.gz LOVOGKXARIDROI-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000260082437 135146998 /nfs/dbraw/zinc/14/69/98/135146998.db2.gz QGILLAHVDYYPRE-VHSXEESVSA-N 1 0 209.293 0.745 20 30 BCEDRO CNC(NC[C@@](C)(O)c1cc(C)oc1C)=[NH+]C ZINC000266092496 135147452 /nfs/dbraw/zinc/14/74/52/135147452.db2.gz FANRMHNDLZEKPO-GFCCVEGCSA-N 1 0 239.319 0.899 20 30 BCEDRO Cc1csc(CNC2=[NH+]CCN2C)n1 ZINC000261528043 135153012 /nfs/dbraw/zinc/15/30/12/135153012.db2.gz IZUXMTJLDLSIRB-UHFFFAOYSA-N 1 0 210.306 0.843 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@](C)(O)c1ccco1 ZINC000267448645 135155134 /nfs/dbraw/zinc/15/51/34/135155134.db2.gz QTJCTUXDEAJTSH-SNVBAGLBSA-N 1 0 211.265 0.363 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2nccs2)N1 ZINC000261529613 135155668 /nfs/dbraw/zinc/15/56/68/135155668.db2.gz UHCUIRPTOIVWJT-SSDOTTSWSA-N 1 0 210.306 0.623 20 30 BCEDRO CN1CC[NH+]=C1NCCOCC(F)(F)F ZINC000261530539 135158052 /nfs/dbraw/zinc/15/80/52/135158052.db2.gz CQSBCALLHJVIIR-UHFFFAOYSA-N 1 0 225.214 0.456 20 30 BCEDRO C[C@H]1[C@@H]([NH3+])CCN1c1cccc(C#N)n1 ZINC000261530903 135158772 /nfs/dbraw/zinc/15/87/72/135158772.db2.gz DLQSVWXQXRSNEC-WPRPVWTQSA-N 1 0 202.261 0.879 20 30 BCEDRO Cc1ccc(CNC2=[NH+]CCN2C)cn1 ZINC000261531574 135161125 /nfs/dbraw/zinc/16/11/25/135161125.db2.gz HCNSPCYNIXVQBL-UHFFFAOYSA-N 1 0 204.277 0.781 20 30 BCEDRO Cc1cccnc1CNC1=[NH+]CCN1C ZINC000261532116 135161484 /nfs/dbraw/zinc/16/14/84/135161484.db2.gz JFDOYOHNPXXICW-UHFFFAOYSA-N 1 0 204.277 0.781 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)c1cccc(C)c1 ZINC000268997486 135162980 /nfs/dbraw/zinc/16/29/80/135162980.db2.gz WZTXTDCOTCAFBP-SNVBAGLBSA-N 1 0 207.277 0.563 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)c1cccc(C)c1 ZINC000268997483 135163741 /nfs/dbraw/zinc/16/37/41/135163741.db2.gz WZTXTDCOTCAFBP-JTQLQIEISA-N 1 0 207.277 0.563 20 30 BCEDRO Cc1nccn1CCNC1=[NH+]C[C@@H](C)N1 ZINC000261534114 135165953 /nfs/dbraw/zinc/16/59/53/135165953.db2.gz LTFWFZDTNZPGOC-MRVPVSSYSA-N 1 0 207.281 0.129 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2ccc(O)cc2)N1 ZINC000261536140 135171722 /nfs/dbraw/zinc/17/17/22/135171722.db2.gz QNOVEIJDGDOCSL-QMMMGPOBSA-N 1 0 205.261 0.830 20 30 BCEDRO C[C@H](CNC1=[NH+]CCN1C)N(C)C1CC1 ZINC000261536945 135172796 /nfs/dbraw/zinc/17/27/96/135172796.db2.gz UHRBKYCQAUMOKD-SECBINFHSA-N 1 0 210.325 0.360 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH+]1CCCC1 ZINC000016445191 135178422 /nfs/dbraw/zinc/17/84/22/135178422.db2.gz BPIYNTQTRXQOCV-UHFFFAOYSA-N 1 0 211.265 0.094 20 30 BCEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C)C#N ZINC000340435294 135182336 /nfs/dbraw/zinc/18/23/36/135182336.db2.gz QBOCHYVZTLMPQZ-NXEZZACHSA-N 1 0 209.293 0.889 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2ccc3c(c2)OCO3)N1 ZINC000261543341 135183821 /nfs/dbraw/zinc/18/38/21/135183821.db2.gz CXDTZVJDJFGMOK-MRVPVSSYSA-N 1 0 233.271 0.853 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000261553489 135192903 /nfs/dbraw/zinc/19/29/03/135192903.db2.gz SOGREVHRGRAVJS-NXEZZACHSA-N 1 0 212.293 0.303 20 30 BCEDRO N#Cc1cccc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261557500 135197589 /nfs/dbraw/zinc/19/75/89/135197589.db2.gz RUWODXBITNHVGZ-GHMZBOCLSA-N 1 0 228.299 0.999 20 30 BCEDRO CN1CC[NH+]=C1NCc1ccc2c(c1)OCO2 ZINC000261557766 135198754 /nfs/dbraw/zinc/19/87/54/135198754.db2.gz RZANLFMTHNAKIF-UHFFFAOYSA-N 1 0 233.271 0.806 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000261561964 135203512 /nfs/dbraw/zinc/20/35/12/135203512.db2.gz VUUHTMIWXFYHHS-SRVKXCTJSA-N 1 0 237.347 0.218 20 30 BCEDRO C[NH+](C)CCOc1ccccc1C(=O)NCC#N ZINC000299630691 135206137 /nfs/dbraw/zinc/20/61/37/135206137.db2.gz GJMZGUNYLXSUSL-UHFFFAOYSA-N 1 0 247.298 0.880 20 30 BCEDRO COc1ccc(CNC2=[NH+]C[C@H](C)N2)cn1 ZINC000261568457 135210680 /nfs/dbraw/zinc/21/06/80/135210680.db2.gz FQAQZBHDSYGMSH-QMMMGPOBSA-N 1 0 220.276 0.528 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000261571995 135214131 /nfs/dbraw/zinc/21/41/31/135214131.db2.gz HYEGEAHFWFFQRL-SNVBAGLBSA-N 1 0 212.293 0.386 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261573378 135214632 /nfs/dbraw/zinc/21/46/32/135214632.db2.gz ITEAVOQGYKMREY-ZJUUUORDSA-N 1 0 212.293 0.385 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H](O)C1 ZINC000042468192 135220582 /nfs/dbraw/zinc/22/05/82/135220582.db2.gz LQABRVLBLCYCGW-NSHDSACASA-N 1 0 239.319 0.205 20 30 BCEDRO C=CCNC(=O)CN[C@](C)(C[NH3+])C1CC1 ZINC000261580696 135221606 /nfs/dbraw/zinc/22/16/06/135221606.db2.gz NCNMYZFGXZMWRT-LLVKDONJSA-N 1 0 211.309 0.006 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCc1ccncc1 ZINC000121519539 135224520 /nfs/dbraw/zinc/22/45/20/135224520.db2.gz TYQSWQQGWYTBIP-GFCCVEGCSA-N 1 0 245.326 0.694 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000261585821 135226870 /nfs/dbraw/zinc/22/68/70/135226870.db2.gz QQMKMLFVHOKBGV-ZYHUDNBSSA-N 1 0 225.336 0.348 20 30 BCEDRO CC#CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000341017735 135232972 /nfs/dbraw/zinc/23/29/72/135232972.db2.gz IZWFVOWIQMSIKB-GFCCVEGCSA-N 1 0 238.331 0.436 20 30 BCEDRO CN1CC[NH+]=C1NCCC(=O)NC(C)(C)C ZINC000261594499 135235048 /nfs/dbraw/zinc/23/50/48/135235048.db2.gz XPVAZYQJSCSKKS-UHFFFAOYSA-N 1 0 226.324 0.182 20 30 BCEDRO C[C@H](CNC(=O)CSCC#N)C[NH+](C)C ZINC000341232888 135235566 /nfs/dbraw/zinc/23/55/66/135235566.db2.gz ZLRVUUTXRNSVEO-SECBINFHSA-N 1 0 229.349 0.557 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000342043387 135247240 /nfs/dbraw/zinc/24/72/40/135247240.db2.gz GNNNHBQLSMXVFQ-QWRGUYRKSA-N 1 0 237.303 0.270 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1CCCCO1 ZINC000261711264 135247800 /nfs/dbraw/zinc/24/78/00/135247800.db2.gz DTCRCEMNAKTTTK-GHMZBOCLSA-N 1 0 241.335 0.639 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cccc(OC)n1 ZINC000261714527 135247834 /nfs/dbraw/zinc/24/78/34/135247834.db2.gz DZFUGJIUKPTHHC-UHFFFAOYSA-N 1 0 220.276 0.681 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1nnc2n1CCC2 ZINC000261746124 135248861 /nfs/dbraw/zinc/24/88/61/135248861.db2.gz JBIHEMJBEXMZOK-QMMMGPOBSA-N 1 0 236.323 0.427 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCCOC1 ZINC000261736501 135249187 /nfs/dbraw/zinc/24/91/87/135249187.db2.gz HXLXBPVHJLYAPF-QWRGUYRKSA-N 1 0 241.335 0.496 20 30 BCEDRO C=C1CC[NH+](C[C@H](O)CN2CCOCC2)CC1 ZINC000342177155 135249576 /nfs/dbraw/zinc/24/95/76/135249576.db2.gz HLXSRCCEHZQJHA-ZDUSSCGKSA-N 1 0 240.347 0.332 20 30 BCEDRO Cc1nn(C)c(C)c1CCNC(=[NH2+])NC1CC1 ZINC000261754488 135249878 /nfs/dbraw/zinc/24/98/78/135249878.db2.gz KOMIXGYCGXNHAM-UHFFFAOYSA-N 1 0 235.335 0.646 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC000342156504 135251276 /nfs/dbraw/zinc/25/12/76/135251276.db2.gz GQBOWBOOGXAHSG-LLVKDONJSA-N 1 0 228.336 0.627 20 30 BCEDRO COC(=O)[C@@H](C)CNC(=[NH2+])NC1CCCC1 ZINC000261770994 135251326 /nfs/dbraw/zinc/25/13/26/135251326.db2.gz MQQYXRSWGAFQCK-QMMMGPOBSA-N 1 0 227.308 0.642 20 30 BCEDRO C[C@@H]1CCC[C@@]1(O)CNC(=[NH2+])NC1CC1 ZINC000261803478 135254695 /nfs/dbraw/zinc/25/46/95/135254695.db2.gz AIUHZVMLARCSRA-LDYMZIIASA-N 1 0 211.309 0.604 20 30 BCEDRO C/[NH+]=C(\N(C)C)N1CCC[C@@H](CC(N)=O)C1 ZINC000261812889 135255218 /nfs/dbraw/zinc/25/52/18/135255218.db2.gz SVFIVWUGNUEYCD-QYARFRDLSA-N 1 0 226.324 0.121 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2nccn2C)C1 ZINC000261963632 135267351 /nfs/dbraw/zinc/26/73/51/135267351.db2.gz AFQHGADOIPXXJT-SNVBAGLBSA-N 1 0 235.335 0.967 20 30 BCEDRO Cc1noc(CNC(=[NH2+])N2CCC[C@@H](C)C2)n1 ZINC000261969653 135268011 /nfs/dbraw/zinc/26/80/11/135268011.db2.gz CRUXJXJPMUILQZ-MRVPVSSYSA-N 1 0 237.307 0.925 20 30 BCEDRO CC(C)NC(=[NH2+])NCCN1CCOC[C@@H]1C ZINC000261973155 135268039 /nfs/dbraw/zinc/26/80/39/135268039.db2.gz DZHRBJOGQVNOEX-JTQLQIEISA-N 1 0 228.340 0.020 20 30 BCEDRO Cn1cc(CNC(=[NH2+])N2CCSCC2)cn1 ZINC000261973121 135268400 /nfs/dbraw/zinc/26/84/00/135268400.db2.gz DXMWTAOVJWBUEQ-UHFFFAOYSA-N 1 0 239.348 0.284 20 30 BCEDRO COC(=O)[C@@H](C)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000261982204 135268891 /nfs/dbraw/zinc/26/88/91/135268891.db2.gz IMQJLWXHGQRLNG-UWVGGRQHSA-N 1 0 241.335 0.842 20 30 BCEDRO C[C@H]1C[C@@H](CNC(=[NH2+])NC2CC2)CCO1 ZINC000261979319 135269046 /nfs/dbraw/zinc/26/90/46/135269046.db2.gz HKUJVIANCLMULH-IUCAKERBSA-N 1 0 211.309 0.868 20 30 BCEDRO C[C@@H]1CC[C@H]1NC(=[NH2+])NC[C@H]1CCCO1 ZINC000262100998 135278883 /nfs/dbraw/zinc/27/88/83/135278883.db2.gz IRSHGAUONRIWRB-OPRDCNLKSA-N 1 0 211.309 0.868 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CCOC[C@@H]1C ZINC000262120404 135279476 /nfs/dbraw/zinc/27/94/76/135279476.db2.gz LXTLTWIKJVQXTR-UWVGGRQHSA-N 1 0 211.309 0.749 20 30 BCEDRO C=CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000262151636 135282139 /nfs/dbraw/zinc/28/21/39/135282139.db2.gz RGWBIMGBCYRLRD-WDEREUQCSA-N 1 0 208.305 0.924 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H]1CCCCS1 ZINC000262163583 135282946 /nfs/dbraw/zinc/28/29/46/135282946.db2.gz BKCUWXWPJOOJLD-VIFPVBQESA-N 1 0 231.365 0.823 20 30 BCEDRO CN(C)C(=[NH+]CC[C@@H]1CCOC1)N(C)C ZINC000262187993 135284550 /nfs/dbraw/zinc/28/45/50/135284550.db2.gz FRQOPZPCVFEORE-SNVBAGLBSA-N 1 0 213.325 0.892 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1nc(C)no1 ZINC000262182808 135284646 /nfs/dbraw/zinc/28/46/46/135284646.db2.gz WZDUGYTZYQHRGB-ZCFIWIBFSA-N 1 0 211.269 0.581 20 30 BCEDRO CN(C(=[NH2+])NC[C@]1(O)CCSC1)C1CC1 ZINC000262218564 135285238 /nfs/dbraw/zinc/28/52/38/135285238.db2.gz KATDUHXFBOCFHL-SNVBAGLBSA-N 1 0 229.349 0.263 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@]2(O)CCC[C@@H]2C)N1 ZINC000262220719 135285242 /nfs/dbraw/zinc/28/52/42/135285242.db2.gz MPLCSGHDTMBKJE-NGZCFLSTSA-N 1 0 211.309 0.475 20 30 BCEDRO CN(C(=[NH2+])NC[C@@]1(O)CCSC1)C1CC1 ZINC000262218562 135285640 /nfs/dbraw/zinc/28/56/40/135285640.db2.gz KATDUHXFBOCFHL-JTQLQIEISA-N 1 0 229.349 0.263 20 30 BCEDRO Cn1cncc1CNC(=[NH2+])N1CCSCC1 ZINC000262284678 135290444 /nfs/dbraw/zinc/29/04/44/135290444.db2.gz JXSKOCHBPGYMDV-UHFFFAOYSA-N 1 0 239.348 0.284 20 30 BCEDRO [NH2+]=C(NCC[C@@H]1CCOC1)NC[C@H]1CCCO1 ZINC000262285204 135290653 /nfs/dbraw/zinc/29/06/53/135290653.db2.gz WKIDGROUONFQKF-GHMZBOCLSA-N 1 0 241.335 0.496 20 30 BCEDRO CN(C(=[NH2+])NCCNc1cnccn1)C1CC1 ZINC000262211364 135290725 /nfs/dbraw/zinc/29/07/25/135290725.db2.gz JBGAQNHCGDDXSO-UHFFFAOYSA-N 1 0 234.307 0.297 20 30 BCEDRO [NH2+]=C(NCc1ccccn1)N1CCSCC1 ZINC000262289882 135290834 /nfs/dbraw/zinc/29/08/34/135290834.db2.gz MWGADPRNPAOFLN-UHFFFAOYSA-N 1 0 236.344 0.945 20 30 BCEDRO C=CCNC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000262297510 135291357 /nfs/dbraw/zinc/29/13/57/135291357.db2.gz WYBVVXHOQQCNPT-VHSXEESVSA-N 1 0 211.309 0.941 20 30 BCEDRO [NH2+]=C(NCC(=O)NCC1CC1)Nc1ccccn1 ZINC000262302437 135291443 /nfs/dbraw/zinc/29/14/43/135291443.db2.gz KXZUCXFREYCTEG-UHFFFAOYSA-N 1 0 247.302 0.334 20 30 BCEDRO Cn1nncc1CNC(=[NH2+])NC1CCCCC1 ZINC000262322462 135292726 /nfs/dbraw/zinc/29/27/26/135292726.db2.gz RTLXTKJYCXCYRY-UHFFFAOYSA-N 1 0 236.323 0.552 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCC(C)(C)C#N)CCO1 ZINC000262326016 135293233 /nfs/dbraw/zinc/29/32/33/135293233.db2.gz UCOJSHWHJVECHM-SECBINFHSA-N 1 0 224.308 0.572 20 30 BCEDRO CCCNC(=[NH2+])NC[C@H]1COC2(CCCC2)O1 ZINC000262347814 135294597 /nfs/dbraw/zinc/29/45/97/135294597.db2.gz ISHBREZLZVMDID-JTQLQIEISA-N 1 0 241.335 0.986 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCc2ccoc2)CCO1 ZINC000262419938 135295902 /nfs/dbraw/zinc/29/59/02/135295902.db2.gz AVSNKMUIHGDFGL-SECBINFHSA-N 1 0 223.276 0.815 20 30 BCEDRO [NH2+]=C(NCc1nnc2n1CCC2)NCC1CCC1 ZINC000262366525 135297211 /nfs/dbraw/zinc/29/72/11/135297211.db2.gz WDZIHUACVGXLHT-UHFFFAOYSA-N 1 0 248.334 0.429 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1cc(C(N)=O)co1 ZINC000262439770 135299855 /nfs/dbraw/zinc/29/98/55/135299855.db2.gz NDFIIPFLKKCMRM-SSDOTTSWSA-N 1 0 238.291 0.581 20 30 BCEDRO CCCNC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262445238 135299887 /nfs/dbraw/zinc/29/98/87/135299887.db2.gz DEDJSJJSJWULDW-VIFPVBQESA-N 1 0 217.338 0.169 20 30 BCEDRO CN/C(=[NH+]/C)N1CC[C@@H](COCCOC)C1 ZINC000262445884 135299891 /nfs/dbraw/zinc/29/98/91/135299891.db2.gz IOEWIIMQHAIKLG-SNVBAGLBSA-N 1 0 229.324 0.177 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)N[C@@H]1C[C@H]1C1CC1 ZINC000262457563 135300123 /nfs/dbraw/zinc/30/01/23/135300123.db2.gz QIROMACNBLYSNX-GARJFASQSA-N 1 0 223.320 0.868 20 30 BCEDRO CSC1(CNC(=[NH2+])N2CCO[C@@H](C)C2)CC1 ZINC000262461626 135300416 /nfs/dbraw/zinc/30/04/16/135300416.db2.gz MLHIIRNAZJYHQY-VIFPVBQESA-N 1 0 243.376 0.917 20 30 BCEDRO C=CCNC(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262466583 135300905 /nfs/dbraw/zinc/30/09/05/135300905.db2.gz YDGGQIWWDGUZJX-VIFPVBQESA-N 1 0 219.292 0.288 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCc2cccnn2)CCO1 ZINC000262474577 135301151 /nfs/dbraw/zinc/30/11/51/135301151.db2.gz PTQNIKOTJBPPCU-VIFPVBQESA-N 1 0 235.291 0.012 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H]2CCCC[N@@H+]2C2CC2)N1 ZINC000262474244 135301366 /nfs/dbraw/zinc/30/13/66/135301366.db2.gz BQQHFWWZPZUFPM-JQWIXIFHSA-N 1 0 236.363 0.941 20 30 BCEDRO C[C@@H]1COCC[C@@H]1CNC1=[NH+]CCN1C ZINC000262475933 135301857 /nfs/dbraw/zinc/30/18/57/135301857.db2.gz CCGSOZNUWWSFGK-NXEZZACHSA-N 1 0 211.309 0.550 20 30 BCEDRO CC(=O)N1CCC(CNC(=[NH2+])NC2CC2)CC1 ZINC000262481825 135302134 /nfs/dbraw/zinc/30/21/34/135302134.db2.gz ZOYJJMQQECBTDV-UHFFFAOYSA-N 1 0 238.335 0.312 20 30 BCEDRO C[C@H]1COCC[C@H]1CNC1=[NH+]CCN1C ZINC000262475934 135302146 /nfs/dbraw/zinc/30/21/46/135302146.db2.gz CCGSOZNUWWSFGK-UWVGGRQHSA-N 1 0 211.309 0.550 20 30 BCEDRO C[NH+]=C(NC[C@H]1CCCO1)NCC1(O)CCC1 ZINC000262478181 135302151 /nfs/dbraw/zinc/30/21/51/135302151.db2.gz PBQZNRCEWPOCAU-SNVBAGLBSA-N 1 0 241.335 0.245 20 30 BCEDRO [NH2+]=C(NCc1ccc(F)cn1)N1CCOCC1 ZINC000262494238 135302382 /nfs/dbraw/zinc/30/23/82/135302382.db2.gz JSQFYPQZASNGGL-UHFFFAOYSA-N 1 0 238.266 0.368 20 30 BCEDRO C[C@@]1(CNC(=[NH2+])NC2CC2)CCCC[C@@H]1O ZINC000262492991 135302457 /nfs/dbraw/zinc/30/24/57/135302457.db2.gz VMEWTMJKKVCTMB-JQWIXIFHSA-N 1 0 225.336 0.994 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCC2(CO)CCC2)CCO1 ZINC000262494970 135302620 /nfs/dbraw/zinc/30/26/20/135302620.db2.gz WCYHWGSONIWGFY-JTQLQIEISA-N 1 0 241.335 0.184 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCC1([NH3+])CCC1 ZINC000342609462 135302672 /nfs/dbraw/zinc/30/26/72/135302672.db2.gz RVQIMKIDOKJYAY-JTQLQIEISA-N 1 0 226.320 0.965 20 30 BCEDRO C[C@]1(CNC(=[NH2+])N2CCSCC2)CCOC1 ZINC000262519195 135303800 /nfs/dbraw/zinc/30/38/00/135303800.db2.gz HSMAEASNCNOKQN-LLVKDONJSA-N 1 0 243.376 0.777 20 30 BCEDRO C[N@H+](CC[C@H]1CCCO1)CC(=O)NCC#N ZINC000342612722 135304029 /nfs/dbraw/zinc/30/40/29/135304029.db2.gz YWPRZRXRJXRIKC-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO [NH2+]=C(NCCOCC1CC1)N1CCSCC1 ZINC000262533767 135304903 /nfs/dbraw/zinc/30/49/03/135304903.db2.gz OUXJUPXOHKVOJT-UHFFFAOYSA-N 1 0 243.376 0.777 20 30 BCEDRO C[C@@]1(CNC(=[NH2+])NC[C@H]2CCCO2)CCOC1 ZINC000262576749 135306096 /nfs/dbraw/zinc/30/60/96/135306096.db2.gz OPALOAKWXKNGLC-PWSUYJOCSA-N 1 0 241.335 0.496 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262573770 135306533 /nfs/dbraw/zinc/30/65/33/135306533.db2.gz ZNXPCFDKYSIBCO-PSASIEDQSA-N 1 0 231.365 0.557 20 30 BCEDRO CN(C)C(=[NH2+])NCc1c2c(nn1C)CCCC2 ZINC000262607222 135308960 /nfs/dbraw/zinc/30/89/60/135308960.db2.gz ADYDOBHAITVYOO-UHFFFAOYSA-N 1 0 235.335 0.675 20 30 BCEDRO CO[C@]1(CNC(=[NH2+])NCC2CCC2)CCOC1 ZINC000262617874 135308962 /nfs/dbraw/zinc/30/89/62/135308962.db2.gz CAFJFXLVMKBHLT-LBPRGKRZSA-N 1 0 241.335 0.496 20 30 BCEDRO CN1CC[NH+]=C1NC[C@H](O)c1ccccc1F ZINC000262639632 135310030 /nfs/dbraw/zinc/31/00/30/135310030.db2.gz HMZZZMVTOJVGTK-NSHDSACASA-N 1 0 237.278 0.750 20 30 BCEDRO Cc1cc(CNC2=[NH+]CCN2C)n(C)n1 ZINC000262636288 135310038 /nfs/dbraw/zinc/31/00/38/135310038.db2.gz GWQLZJZCCDYZPH-UHFFFAOYSA-N 1 0 207.281 0.120 20 30 BCEDRO C=CCNC(=[NH2+])NCc1c2c(nn1C)CCCC2 ZINC000262650445 135310756 /nfs/dbraw/zinc/31/07/56/135310756.db2.gz JIXABEGZBOSGDY-UHFFFAOYSA-N 1 0 247.346 0.889 20 30 BCEDRO Cn1cnc(CNC(=[NH2+])NCC2CCC2)n1 ZINC000262654010 135311019 /nfs/dbraw/zinc/31/10/19/135311019.db2.gz KZMZPBVEGILHLI-UHFFFAOYSA-N 1 0 222.296 0.020 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCN(C)CC(F)(F)F)N1 ZINC000262652110 135311367 /nfs/dbraw/zinc/31/13/67/135311367.db2.gz KQYNJBJKNBBEMO-SSDOTTSWSA-N 1 0 238.257 0.418 20 30 BCEDRO C[C@H]1C[C@H](CNC2=[NH+]CCN2C)CCO1 ZINC000262668418 135312528 /nfs/dbraw/zinc/31/25/28/135312528.db2.gz PWAGKQDTGJJXMQ-VHSXEESVSA-N 1 0 211.309 0.693 20 30 BCEDRO CSC1(CNC2=[NH+]CCN2C)CCOCC1 ZINC000262679450 135313006 /nfs/dbraw/zinc/31/30/06/135313006.db2.gz VMAXAXIOFZJOMF-UHFFFAOYSA-N 1 0 243.376 0.790 20 30 BCEDRO CNC(=O)c1ccc(CNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000262676745 135313177 /nfs/dbraw/zinc/31/31/77/135313177.db2.gz UIVSJBOOTDFOSU-SECBINFHSA-N 1 0 246.314 0.484 20 30 BCEDRO CCn1cccc(CNC2=[NH+]CCN2C)c1=O ZINC000262679942 135313215 /nfs/dbraw/zinc/31/32/15/135313215.db2.gz VPAAZKFNPSTGEV-UHFFFAOYSA-N 1 0 234.303 0.259 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@](C)(O)C(F)(F)F ZINC000262681704 135313317 /nfs/dbraw/zinc/31/33/17/135313317.db2.gz WLVODBTXNSYWTQ-SSDOTTSWSA-N 1 0 225.214 0.191 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCC1([S@@](C)=O)CCC1 ZINC000262693124 135313887 /nfs/dbraw/zinc/31/38/87/135313887.db2.gz COEMGOPCFAAZMM-XXFAHNHDSA-N 1 0 245.392 0.990 20 30 BCEDRO CCc1nc(C)c(CNC(NC)=[NH+]C)o1 ZINC000262688275 135314225 /nfs/dbraw/zinc/31/42/25/135314225.db2.gz FHSNJZSWYYRDGX-UHFFFAOYSA-N 1 0 210.281 0.840 20 30 BCEDRO COCC1(CNC2=[NH+]CCN2C)CCOCC1 ZINC000262719322 135315870 /nfs/dbraw/zinc/31/58/70/135315870.db2.gz ULMFLHKNHXMENA-UHFFFAOYSA-N 1 0 241.335 0.321 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000342734207 135316827 /nfs/dbraw/zinc/31/68/27/135316827.db2.gz MSBBXGWXJCJQTN-SRVKXCTJSA-N 1 0 238.331 0.775 20 30 BCEDRO CCNC(NCC1([S@@](C)=O)CCC1)=[NH+]CC ZINC000262773336 135317022 /nfs/dbraw/zinc/31/70/22/135317022.db2.gz HQFWSLKKDRWGMF-MRXNPFEDSA-N 1 0 245.392 0.863 20 30 BCEDRO CCNC(NCC1([S@](C)=O)CCC1)=[NH+]CC ZINC000262773333 135317492 /nfs/dbraw/zinc/31/74/92/135317492.db2.gz HQFWSLKKDRWGMF-INIZCTEOSA-N 1 0 245.392 0.863 20 30 BCEDRO C[NH+]=C(NCCO)N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000262781117 135318198 /nfs/dbraw/zinc/31/81/98/135318198.db2.gz LBQCLFBYVMDSHH-BXKDBHETSA-N 1 0 243.351 0.347 20 30 BCEDRO C[NH+]=C(NCC1([S@](C)=O)CC1)NC1CC1 ZINC000262796651 135318746 /nfs/dbraw/zinc/31/87/46/135318746.db2.gz PTPZTRQVOBSZMV-HNNXBMFYSA-N 1 0 229.349 0.225 20 30 BCEDRO CC(C)CNC(=[NH2+])NCC1([S@@](C)=O)CC1 ZINC000262824564 135319584 /nfs/dbraw/zinc/31/95/84/135319584.db2.gz ZKXYGOASDNMFNI-OAHLLOKOSA-N 1 0 231.365 0.458 20 30 BCEDRO C[NH+]=C(NCc1ccoc1)NCC1(O)CCC1 ZINC000262823625 135320291 /nfs/dbraw/zinc/32/02/91/135320291.db2.gz ZACYSYXGYGCMGJ-UHFFFAOYSA-N 1 0 237.303 0.860 20 30 BCEDRO C[C@@H]1OCC[C@]1(O)C[NH+]=C(N(C)C)N(C)C ZINC000262866522 135321554 /nfs/dbraw/zinc/32/15/54/135321554.db2.gz URHDJKXZPRARGF-ONGXEEELSA-N 1 0 229.324 0.006 20 30 BCEDRO CN(C)C(=[NH2+])NCC1([S@](C)=O)CCC1 ZINC000262850093 135321731 /nfs/dbraw/zinc/32/17/31/135321731.db2.gz WSTRUYNILZOEDN-AWEZNQCLSA-N 1 0 217.338 0.164 20 30 BCEDRO COC[C@@H]1CCCC[N@H+](CC(=O)NCC#N)C1 ZINC000342767172 135326247 /nfs/dbraw/zinc/32/62/47/135326247.db2.gz XTWZLLFHHXHPIJ-LLVKDONJSA-N 1 0 239.319 0.375 20 30 BCEDRO COC[C@H]1CCCC[N@H+](CC(=O)NCC#N)C1 ZINC000342767173 135326406 /nfs/dbraw/zinc/32/64/06/135326406.db2.gz XTWZLLFHHXHPIJ-NSHDSACASA-N 1 0 239.319 0.375 20 30 BCEDRO CN1CCC[NH+]=C1NCc1nnc(C2CC2)[nH]1 ZINC000263023016 135327556 /nfs/dbraw/zinc/32/75/56/135327556.db2.gz AFKWZVZQSPQGMW-UHFFFAOYSA-N 1 0 234.307 0.463 20 30 BCEDRO CO[C@@]1(CNC(=[NH2+])NC2CCC2)CCOC1 ZINC000263028775 135327661 /nfs/dbraw/zinc/32/76/61/135327661.db2.gz BAFSDMZTLKPHNJ-LLVKDONJSA-N 1 0 227.308 0.249 20 30 BCEDRO CCO[C@H]1C[C@@H](NC(=[NH2+])N(C)C2CC2)C1 ZINC000263042544 135328927 /nfs/dbraw/zinc/32/89/27/135328927.db2.gz COCQRDVRWXCDRN-WAAGHKOSSA-N 1 0 211.309 0.963 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nn(CC)nc1C ZINC000263059930 135329708 /nfs/dbraw/zinc/32/97/08/135329708.db2.gz MOPOMLLBSADARY-UHFFFAOYSA-N 1 0 222.296 0.197 20 30 BCEDRO Cc1cc(CNC(=[NH2+])N2CCC2)ccn1 ZINC000263059621 135329789 /nfs/dbraw/zinc/32/97/89/135329789.db2.gz FJFZNBICWPJDFR-UHFFFAOYSA-N 1 0 204.277 0.910 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC1=[NH+]CCCN1 ZINC000263057124 135329884 /nfs/dbraw/zinc/32/98/84/135329884.db2.gz LVFQMBYPDNPTAI-UWVGGRQHSA-N 1 0 209.293 0.516 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCn1ccnc1 ZINC000263075714 135331088 /nfs/dbraw/zinc/33/10/88/135331088.db2.gz CKERYCVTNXLMQK-UHFFFAOYSA-N 1 0 207.281 0.364 20 30 BCEDRO CO[C@H]1COCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000263087001 135332119 /nfs/dbraw/zinc/33/21/19/135332119.db2.gz IMIIHBYRXGDQEQ-UWVGGRQHSA-N 1 0 229.324 0.351 20 30 BCEDRO CO[C@@H]1COCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000263108581 135333215 /nfs/dbraw/zinc/33/32/15/135333215.db2.gz KWVGPWTZKQTSDP-GHMZBOCLSA-N 1 0 243.351 0.517 20 30 BCEDRO CO[C@H]1COCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000263108585 135333243 /nfs/dbraw/zinc/33/32/43/135333243.db2.gz KWVGPWTZKQTSDP-QWRGUYRKSA-N 1 0 243.351 0.517 20 30 BCEDRO CCn1nc(C)c(CNC(=[NH2+])NC2CCC2)n1 ZINC000263113537 135333783 /nfs/dbraw/zinc/33/37/83/135333783.db2.gz ZBDJYXXYOAWNBQ-UHFFFAOYSA-N 1 0 236.323 0.563 20 30 BCEDRO CO[C@@H]1CCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000263129759 135334957 /nfs/dbraw/zinc/33/49/57/135334957.db2.gz GIEGTFYKMVUMEU-WCBMZHEXSA-N 1 0 211.309 0.868 20 30 BCEDRO CC(C)[C@@H](O)C1(CNC(=[NH2+])NC2CC2)CC1 ZINC000263139967 135335223 /nfs/dbraw/zinc/33/52/23/135335223.db2.gz JGLUINZRXJNRGG-SNVBAGLBSA-N 1 0 225.336 0.850 20 30 BCEDRO Cc1ccnc(CNC(=[NH2+])N2CCO[C@@H](C)C2)c1 ZINC000263144496 135335351 /nfs/dbraw/zinc/33/53/51/135335351.db2.gz OPCBTJMWJUAFQC-NSHDSACASA-N 1 0 248.330 0.925 20 30 BCEDRO CO[C@@H]1COCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000263148273 135335716 /nfs/dbraw/zinc/33/57/16/135335716.db2.gz PCZGQMDMWOGZRD-NXEZZACHSA-N 1 0 243.351 0.741 20 30 BCEDRO CO[C@@H]1[C@H](C)[C@H](NC(=[NH2+])N(C)C)C1(C)C ZINC000263165851 135336164 /nfs/dbraw/zinc/33/61/64/135336164.db2.gz PZZWGQAUETWVQS-HRDYMLBCSA-N 1 0 213.325 0.922 20 30 BCEDRO [NH2+]=C(NCC1(CO)CCCC1)NC1CCC1 ZINC000263153240 135336255 /nfs/dbraw/zinc/33/62/55/135336255.db2.gz PSMUATRXLPXYBJ-UHFFFAOYSA-N 1 0 225.336 0.996 20 30 BCEDRO CCc1noc(C)c1CNC1=[NH+]CCN1C ZINC000263175730 135337115 /nfs/dbraw/zinc/33/71/15/135337115.db2.gz SQWPHBQVOGIVMS-UHFFFAOYSA-N 1 0 222.292 0.936 20 30 BCEDRO CO[C@H]1C[C@@H](NC(=[NH2+])N(C)C)C12CCC2 ZINC000263170228 135337167 /nfs/dbraw/zinc/33/71/67/135337167.db2.gz RYWDDLVYNLNWCC-BDAKNGLRSA-N 1 0 211.309 0.820 20 30 BCEDRO [NH2+]=C(NCC[C@H]1CCCCO1)N1CCC1 ZINC000263203576 135339623 /nfs/dbraw/zinc/33/96/23/135339623.db2.gz XTXPCLBUTNQEQW-SNVBAGLBSA-N 1 0 211.309 0.966 20 30 BCEDRO C[NH+]=C(NCCn1cccn1)NC(C)(C)C ZINC000263245636 135341898 /nfs/dbraw/zinc/34/18/98/135341898.db2.gz MTOALRDXGPSXQO-UHFFFAOYSA-N 1 0 223.324 0.847 20 30 BCEDRO CC#CCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000343013796 135344742 /nfs/dbraw/zinc/34/47/42/135344742.db2.gz FGHNPIYVILYSDO-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO CCCNC(=[NH2+])NCCn1ccnc1C ZINC000264063362 135361802 /nfs/dbraw/zinc/36/18/02/135361802.db2.gz ABKMWMUBRNLIHC-UHFFFAOYSA-N 1 0 209.297 0.506 20 30 BCEDRO CN(C)C(=[NH2+])NCCNc1ccccn1 ZINC000264063478 135361828 /nfs/dbraw/zinc/36/18/28/135361828.db2.gz DIPTZZIUSRUZAV-UHFFFAOYSA-N 1 0 207.281 0.370 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H](O)C3(CC3)C2)C1=O ZINC000334346364 135363648 /nfs/dbraw/zinc/36/36/48/135363648.db2.gz VXHXPFSAWVAVAM-WDEREUQCSA-N 1 0 236.315 0.230 20 30 BCEDRO Cc1cc(C)n(CCCNC2=[NH+]CCN2C)n1 ZINC000285197302 135371462 /nfs/dbraw/zinc/37/14/62/135371462.db2.gz VSBHTZBPTSEDFA-UHFFFAOYSA-N 1 0 235.335 0.781 20 30 BCEDRO Cn1nncc1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000287443159 135372730 /nfs/dbraw/zinc/37/27/30/135372730.db2.gz UNAMFJOFDFWGDF-VHSXEESVSA-N 1 0 219.292 0.987 20 30 BCEDRO CC#CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000334367676 135374725 /nfs/dbraw/zinc/37/47/25/135374725.db2.gz RJLZCODQLNMFPT-GJZGRUSLSA-N 1 0 249.402 0.968 20 30 BCEDRO CCCNC(=[NH2+])NCc1nnc(CC)s1 ZINC000290618464 135374837 /nfs/dbraw/zinc/37/48/37/135374837.db2.gz KDZRURNIYIVSHZ-UHFFFAOYSA-N 1 0 227.337 0.915 20 30 BCEDRO CCCNC(=[NH2+])NCc1snnc1C ZINC000291968906 135375282 /nfs/dbraw/zinc/37/52/82/135375282.db2.gz SPZMAFUFFNDMJT-UHFFFAOYSA-N 1 0 213.310 0.661 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCOC1(C)C ZINC000294584591 135378387 /nfs/dbraw/zinc/37/83/87/135378387.db2.gz CMPWAIFZCMWVFW-VIFPVBQESA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@H](C)C(C)(C)O ZINC000295144013 135379252 /nfs/dbraw/zinc/37/92/52/135379252.db2.gz LGMAOVDTFLQHFA-SECBINFHSA-N 1 0 214.309 0.380 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@H]1C[NH3+] ZINC000124741851 135470289 /nfs/dbraw/zinc/47/02/89/135470289.db2.gz CUFGSHUKOPVBHZ-SECBINFHSA-N 1 0 218.322 0.315 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CCO)C(C)C ZINC000231040560 135577167 /nfs/dbraw/zinc/57/71/67/135577167.db2.gz AHFDVNFHAVFBQV-GHMZBOCLSA-N 1 0 228.336 0.674 20 30 BCEDRO CSC1(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000193301159 135593135 /nfs/dbraw/zinc/59/31/35/135593135.db2.gz OAZOQZXHDNAHBV-UHFFFAOYSA-N 1 0 229.349 0.529 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCC(C(=O)OC)CC1 ZINC000289913192 135627558 /nfs/dbraw/zinc/62/75/58/135627558.db2.gz ULRZIVYNUCGISS-HSOILSAZSA-N 1 0 227.304 0.855 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1c[nH]c2nccnc12 ZINC000290888860 135642157 /nfs/dbraw/zinc/64/21/57/135642157.db2.gz MUJBYAQIBHCEBB-SNVBAGLBSA-N 1 0 232.287 0.985 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000290868460 135642326 /nfs/dbraw/zinc/64/23/26/135642326.db2.gz BZJXNPHJJGLBSA-GHMZBOCLSA-N 1 0 243.351 0.563 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[NH2+]C[C@@H]2C)C1=O ZINC000334783789 135811962 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/nfs/dbraw/zinc/10/91/24/166109124.db2.gz YRENDHQBNCTYRW-UHFFFAOYSA-N 1 0 224.304 0.189 20 30 BCEDRO CC(=O)[C@](C)(O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000661155659 410309043 /nfs/dbraw/zinc/30/90/43/410309043.db2.gz VIMWIYHAXUIAPF-VXGBXAGGSA-N 1 0 224.304 0.952 20 30 BCEDRO C=CCOCC(=O)NCCC1CC[NH2+]CC1 ZINC000653269437 410367576 /nfs/dbraw/zinc/36/75/76/410367576.db2.gz BQALAZNTCCRYRE-UHFFFAOYSA-N 1 0 226.320 0.695 20 30 BCEDRO C=CC[N@@H+](CCn1cncn1)[C@@H](C)COC ZINC000661241493 410404754 /nfs/dbraw/zinc/40/47/54/410404754.db2.gz ZEPYRDBPILNEAP-NSHDSACASA-N 1 0 224.308 0.801 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)COCCOC(C)C ZINC000078601918 166158957 /nfs/dbraw/zinc/15/89/57/166158957.db2.gz CSKINEDROSFQDH-LBPRGKRZSA-N 1 0 229.320 0.354 20 30 BCEDRO C#CCNC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000086992169 166176702 /nfs/dbraw/zinc/17/67/02/166176702.db2.gz HTCTUODWFQIAHJ-UHFFFAOYSA-N 1 0 249.314 0.986 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272274707 166177866 /nfs/dbraw/zinc/17/78/66/166177866.db2.gz YZTNRUSIMKHBBW-QWRGUYRKSA-N 1 0 221.304 0.355 20 30 BCEDRO C#CCNC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175590527 166181800 /nfs/dbraw/zinc/18/18/00/166181800.db2.gz CUJYSAJDDIYUHN-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cccnc1 ZINC000035206498 166183331 /nfs/dbraw/zinc/18/33/31/166183331.db2.gz QKQHAWGHABXBHY-WDEREUQCSA-N 1 0 231.299 0.870 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccccc1OC ZINC000095081757 166187043 /nfs/dbraw/zinc/18/70/43/166187043.db2.gz GGQNVKWHHMPEBI-UHFFFAOYSA-N 1 0 232.283 0.534 20 30 BCEDRO C#CC[NH2+][C@@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000035046483 166190658 /nfs/dbraw/zinc/19/06/58/166190658.db2.gz WUEQWEHIUFVSSQ-VIFPVBQESA-N 1 0 238.312 0.618 20 30 BCEDRO C=CCC[N@H+](C)CCCC(=O)NC(N)=O ZINC000276349980 166257707 /nfs/dbraw/zinc/25/77/07/166257707.db2.gz DEGAOKVYGUPMLY-UHFFFAOYSA-N 1 0 213.281 0.469 20 30 BCEDRO C=CCC[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000267424674 166265457 /nfs/dbraw/zinc/26/54/57/166265457.db2.gz AOOROLBBUIBAAN-UHFFFAOYSA-N 1 0 225.336 0.444 20 30 BCEDRO C=CCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000271635832 166265472 /nfs/dbraw/zinc/26/54/72/166265472.db2.gz ZATJYOOBOHPHID-QMMMGPOBSA-N 1 0 200.307 0.465 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000179204458 166271968 /nfs/dbraw/zinc/27/19/68/166271968.db2.gz VDRVXRNFXDWZEI-UWVGGRQHSA-N 1 0 214.309 0.773 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@@H](C)[NH2+]C ZINC000261540802 166273191 /nfs/dbraw/zinc/27/31/91/166273191.db2.gz FGDSOOABHPJDEO-ZJUUUORDSA-N 1 0 214.309 0.692 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160386142 166273587 /nfs/dbraw/zinc/27/35/87/166273587.db2.gz BWACJNXIBYBARO-QWRGUYRKSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC(C[NH3+])CC1 ZINC000238000636 166276211 /nfs/dbraw/zinc/27/62/11/166276211.db2.gz RWFKMPVHPDNKPQ-UHFFFAOYSA-N 1 0 232.349 0.563 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000268461564 166303112 /nfs/dbraw/zinc/30/31/12/166303112.db2.gz KOIMCIMXNPRRQD-MNOVXSKESA-N 1 0 228.336 0.627 20 30 BCEDRO C=CCN(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000261554772 166313915 /nfs/dbraw/zinc/31/39/15/166313915.db2.gz UNOXZYKCKHBLEJ-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CC[N@@H+](CCOC)CCC(=O)NC ZINC000362044648 166342170 /nfs/dbraw/zinc/34/21/70/166342170.db2.gz ARVSJOJBJRGPKD-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO C=CC[N@H+](CCN1C(=O)CNC1=O)C1CC1 ZINC000271535334 166342450 /nfs/dbraw/zinc/34/24/50/166342450.db2.gz YAEOHFBIWFMJCZ-UHFFFAOYSA-N 1 0 223.276 0.189 20 30 BCEDRO C=CC[N@@H+](C[C@@](C)(O)C(=O)OCC)C1CC1 ZINC000274664947 166344204 /nfs/dbraw/zinc/34/42/04/166344204.db2.gz QWDYXLGQZIOIHI-GFCCVEGCSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[N@@H+](C[C@](C)(O)C(=O)OCC)C1CC1 ZINC000274664950 166346075 /nfs/dbraw/zinc/34/60/75/166346075.db2.gz QWDYXLGQZIOIHI-LBPRGKRZSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[N@@H+](Cc1cc(=O)n(C)c(=O)n1C)C1CC1 ZINC000271495144 166346561 /nfs/dbraw/zinc/34/65/61/166346561.db2.gz VFADZRLWSUGWHG-UHFFFAOYSA-N 1 0 249.314 0.234 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)O)CC1 ZINC000276320145 166353617 /nfs/dbraw/zinc/35/36/17/166353617.db2.gz GYCBGLWYJMWITH-SECBINFHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCN1CC[C@H]([NH2+]C(C)(C)COC)C1=O ZINC000336759462 166357454 /nfs/dbraw/zinc/35/74/54/166357454.db2.gz JAKVFKRKYLRXPL-JTQLQIEISA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]1CC(=O)OC ZINC000179129376 166365179 /nfs/dbraw/zinc/36/51/79/166365179.db2.gz ORRBGSKJQDRTEP-JTQLQIEISA-N 1 0 240.303 0.316 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000266912640 166366621 /nfs/dbraw/zinc/36/66/21/166366621.db2.gz JLRYLEXAXBGIPW-LLVKDONJSA-N 1 0 248.330 0.891 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCOC[C@H]1OCC ZINC000362023822 166369640 /nfs/dbraw/zinc/36/96/40/166369640.db2.gz ITLJYZXGLLKMNY-GHMZBOCLSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1CC(OC(C)C)C1 ZINC000189558117 166369648 /nfs/dbraw/zinc/36/96/48/166369648.db2.gz LPFNRSSBDHREON-UHFFFAOYSA-N 1 0 226.320 0.834 20 30 BCEDRO C=CCNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268180003 166380686 /nfs/dbraw/zinc/38/06/86/166380686.db2.gz NEMIYFJGUJWZIF-ONGXEEELSA-N 1 0 223.320 0.954 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190867244 166382266 /nfs/dbraw/zinc/38/22/66/166382266.db2.gz XPKVEMGXVJTGFN-MXWKQRLJSA-N 1 0 226.320 0.237 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000191710406 166383262 /nfs/dbraw/zinc/38/32/62/166383262.db2.gz AAFYNHWVEDQCJZ-IVZWLZJFSA-N 1 0 214.309 0.690 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000277942604 166389062 /nfs/dbraw/zinc/38/90/62/166389062.db2.gz RCRYREALZJJAEW-OUAUKWLOSA-N 1 0 226.320 0.692 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)CO ZINC000164891784 166389274 /nfs/dbraw/zinc/38/92/74/166389274.db2.gz BSBFUYCYXDWHFA-BBBLOLIVSA-N 1 0 214.309 0.284 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCOC[C@H]1OCC ZINC000339092329 166418320 /nfs/dbraw/zinc/41/83/20/166418320.db2.gz SILYUZDKGUMJQA-NWDGAFQWSA-N 1 0 229.320 0.973 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000665073632 410686233 /nfs/dbraw/zinc/68/62/33/410686233.db2.gz WUEQHLQXSZBODW-SNVBAGLBSA-N 1 0 212.293 0.086 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661603803 411025140 /nfs/dbraw/zinc/02/51/40/411025140.db2.gz WGOFULBLAURFQK-MNOVXSKESA-N 1 0 206.289 0.610 20 30 BCEDRO C=CCCn1cc(CN2CC[C@@H]([NH2+]C)C2)nn1 ZINC000655936264 411159851 /nfs/dbraw/zinc/15/98/51/411159851.db2.gz CIWFTLRMQVGJPU-LLVKDONJSA-N 1 0 235.335 0.648 20 30 BCEDRO C=CCCn1cc(CN(C)[C@@H]2CC[NH2+]C2)nn1 ZINC000655938642 411161258 /nfs/dbraw/zinc/16/12/58/411161258.db2.gz ZVYHFBULQMMHBD-GFCCVEGCSA-N 1 0 235.335 0.648 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1COC2(CCC2)C1 ZINC000657953713 411180133 /nfs/dbraw/zinc/18/01/33/411180133.db2.gz SHDSMBPHYOEDPJ-SNVBAGLBSA-N 1 0 224.304 0.590 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C)Cn1cncn1 ZINC000657970315 411183147 /nfs/dbraw/zinc/18/31/47/411183147.db2.gz AZTIMEXWOVZLIO-JTQLQIEISA-N 1 0 210.281 0.459 20 30 BCEDRO C=C(C)CCNC(=O)N(C)CCOCC[NH2+]C ZINC000627050379 411205114 /nfs/dbraw/zinc/20/51/14/411205114.db2.gz HWKGFQGNOYUSEU-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C[N@@H+]1CCC[C@@H](CCNc2nccc(C#N)n2)C1 ZINC000413437206 411233970 /nfs/dbraw/zinc/23/39/70/411233970.db2.gz JTYHYTUDIAOGAX-NSHDSACASA-N 1 0 245.330 1.492 20 30 BCEDRO CC#CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652179839 411166375 /nfs/dbraw/zinc/16/63/75/411166375.db2.gz ABJLTMIRGNRWCE-UHFFFAOYSA-N 1 0 223.320 0.828 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NCC1([NH+](C)C)CC1 ZINC000416304339 411275050 /nfs/dbraw/zinc/27/50/50/411275050.db2.gz UKLSZHKJLOQEMC-UHFFFAOYSA-N 1 0 246.314 0.721 20 30 BCEDRO C=C(CC)Cn1cc(COCC[NH3+])nn1 ZINC000656453859 411275817 /nfs/dbraw/zinc/27/58/17/411275817.db2.gz ZPDRJRLSXAIOSA-UHFFFAOYSA-N 1 0 210.281 0.720 20 30 BCEDRO C=CCCOCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000309841099 411276743 /nfs/dbraw/zinc/27/67/43/411276743.db2.gz PDOGUFHVUWSXIG-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000656477345 411283185 /nfs/dbraw/zinc/28/31/85/411283185.db2.gz GENODEDSFMODIW-NXEZZACHSA-N 1 0 222.288 0.690 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H]2C[C@@H](O)C2(C)C)C1=O ZINC000653742263 411295571 /nfs/dbraw/zinc/29/55/71/411295571.db2.gz WJAVPENBLUCQSG-GARJFASQSA-N 1 0 238.331 0.522 20 30 BCEDRO Cc1cc(NC(=O)NCC[NH+](C)C)ncc1C#N ZINC000603120896 411302629 /nfs/dbraw/zinc/30/26/29/411302629.db2.gz PEYPTGSSPWAACL-UHFFFAOYSA-N 1 0 247.302 0.945 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@@](C)(O)C(=O)OCC ZINC000355082663 411309136 /nfs/dbraw/zinc/30/91/36/411309136.db2.gz VKEOUZHLARCYDS-LLVKDONJSA-N 1 0 215.293 0.808 20 30 BCEDRO C=CCn1cc([C@@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000656445847 411255420 /nfs/dbraw/zinc/25/54/20/411255420.db2.gz WZSQRBPAKPQRDO-VHSXEESVSA-N 1 0 208.265 0.643 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccnc(OC)c1 ZINC000662168821 411372747 /nfs/dbraw/zinc/37/27/47/411372747.db2.gz WMMJHWNYEOMXSA-SNVBAGLBSA-N 1 0 208.261 0.727 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000654296565 411368494 /nfs/dbraw/zinc/36/84/94/411368494.db2.gz WKCVCTXBWKZPCM-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NCCCOCC ZINC000662166170 411371023 /nfs/dbraw/zinc/37/10/23/411371023.db2.gz UKKJPCZIOJKPDL-GHMZBOCLSA-N 1 0 244.335 0.054 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCC(=O)NCC(C)C ZINC000662168360 411371413 /nfs/dbraw/zinc/37/14/13/411371413.db2.gz CPKLCTCVTUVETI-LLVKDONJSA-N 1 0 228.336 0.675 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCN(C(C)(C)C)C1=O ZINC000662168688 411371885 /nfs/dbraw/zinc/37/18/85/411371885.db2.gz QSBGWBHGVQRHNF-NXEZZACHSA-N 1 0 226.320 0.522 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](COC)CC1CCOCC1 ZINC000658334431 411342588 /nfs/dbraw/zinc/34/25/88/411342588.db2.gz ISLCOXYRWVEUNE-OLZOCXBDSA-N 1 0 243.347 0.955 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCn2nccc21 ZINC000658334606 411343845 /nfs/dbraw/zinc/34/38/45/411343845.db2.gz OGBZQOGDDLPOAA-NXEZZACHSA-N 1 0 207.277 0.855 20 30 BCEDRO C=CCCn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000653490059 411380036 /nfs/dbraw/zinc/38/00/36/411380036.db2.gz SBCDBDJQOAGKTD-UHFFFAOYSA-N 1 0 235.335 0.602 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000659358171 411374405 /nfs/dbraw/zinc/37/44/05/411374405.db2.gz DXHFGEZWXJTSDP-LLVKDONJSA-N 1 0 226.320 0.695 20 30 BCEDRO CCC(C#N)(CC)C(=O)NCC[NH+](C)C ZINC000044764562 168260918 /nfs/dbraw/zinc/26/09/18/168260918.db2.gz MJGREWLBTXHWLC-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C=CCOCCNC(=O)C1([NH3+])CC2(CCC2)C1 ZINC000659380787 411396222 /nfs/dbraw/zinc/39/62/22/411396222.db2.gz DDOGIPZXRQMZCT-UHFFFAOYSA-N 1 0 238.331 0.967 20 30 BCEDRO C=CCN(C(=O)[C@@H](C)C[NH2+]C)[C@@H](C)COC ZINC000659339520 411398177 /nfs/dbraw/zinc/39/81/77/411398177.db2.gz ISWYAOJGAOMRLK-QWRGUYRKSA-N 1 0 228.336 0.891 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CC[NH2+][C@@H]1CC ZINC000659383237 411401171 /nfs/dbraw/zinc/40/11/71/411401171.db2.gz SCENVMIERMLKQQ-WDEREUQCSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCOCCCNC(=O)COC1(C)C[NH2+]C1 ZINC000659359686 411401689 /nfs/dbraw/zinc/40/16/89/411401689.db2.gz WTXPMGOICZRPKC-UHFFFAOYSA-N 1 0 242.319 0.074 20 30 BCEDRO C=CCOCCCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659390143 411411410 /nfs/dbraw/zinc/41/14/10/411411410.db2.gz ULACKGXCBXEECB-GHMZBOCLSA-N 1 0 244.310 0.867 20 30 BCEDRO C=CCCn1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000653501648 411414151 /nfs/dbraw/zinc/41/41/51/411414151.db2.gz DKELHJPKCNMIRN-VXGBXAGGSA-N 1 0 247.346 0.505 20 30 BCEDRO C=CCOCCCNC(=O)NCCC[NH2+]C ZINC000659504746 411423312 /nfs/dbraw/zinc/42/33/12/411423312.db2.gz IZTUIPHUHWCDCR-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C=CCOCCCNC(=O)NCC[NH2+]C1CC1 ZINC000659509968 411424753 /nfs/dbraw/zinc/42/47/53/411424753.db2.gz KIPAFBQMVPSLDH-UHFFFAOYSA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCN(C(=O)N[C@H](C)C[NH3+])[C@@H](C)COC ZINC000659531651 411429773 /nfs/dbraw/zinc/42/97/73/411429773.db2.gz ZWGCFQBZKCWBAV-ZJUUUORDSA-N 1 0 229.324 0.566 20 30 BCEDRO C=CCNC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405454032 411430408 /nfs/dbraw/zinc/43/04/08/411430408.db2.gz OVRADMPMGHXMST-NXEZZACHSA-N 1 0 227.308 0.178 20 30 BCEDRO C=CCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000659535736 411431159 /nfs/dbraw/zinc/43/11/59/411431159.db2.gz FJSDUTJVJMZPJQ-ZJUUUORDSA-N 1 0 211.309 0.860 20 30 BCEDRO C=CCOCCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000659546829 411434031 /nfs/dbraw/zinc/43/40/31/411434031.db2.gz HRDUPGSPLQKESP-URLYPYJESA-N 1 0 239.319 0.096 20 30 BCEDRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336726644 411434089 /nfs/dbraw/zinc/43/40/89/411434089.db2.gz CILOXJBQOCGEHL-ZJUUUORDSA-N 1 0 245.348 0.160 20 30 BCEDRO C=CCCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000659554021 411435290 /nfs/dbraw/zinc/43/52/90/411435290.db2.gz KPDLPUQMKJFAGX-NXEZZACHSA-N 1 0 211.309 0.989 20 30 BCEDRO C=CCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000659558872 411436025 /nfs/dbraw/zinc/43/60/25/411436025.db2.gz FGVDXNBADMALHQ-UHFFFAOYSA-N 1 0 211.309 0.991 20 30 BCEDRO C=CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000659561886 411436053 /nfs/dbraw/zinc/43/60/53/411436053.db2.gz CCLSYWIWZKUGHU-GHMZBOCLSA-N 1 0 223.320 0.956 20 30 BCEDRO C=CCCNC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000659561891 411436212 /nfs/dbraw/zinc/43/62/12/411436212.db2.gz CCLSYWIWZKUGHU-WDEREUQCSA-N 1 0 223.320 0.956 20 30 BCEDRO C=CCCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000659562681 411436237 /nfs/dbraw/zinc/43/62/37/411436237.db2.gz LJUMSCZUBORQQE-MNOVXSKESA-N 1 0 223.320 0.956 20 30 BCEDRO C=CCCNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000659563557 411437121 /nfs/dbraw/zinc/43/71/21/411437121.db2.gz XBMCZIGRJWXZGK-UWVGGRQHSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CCOCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000659610089 411441592 /nfs/dbraw/zinc/44/15/92/411441592.db2.gz KNUXXHLHOCPXBY-SECBINFHSA-N 1 0 215.297 0.178 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000659609254 411441626 /nfs/dbraw/zinc/44/16/26/411441626.db2.gz GHWBPDVWQFWUJL-SNVBAGLBSA-N 1 0 227.308 0.192 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000659515180 411468172 /nfs/dbraw/zinc/46/81/72/411468172.db2.gz BDFHDLJJAMNVGB-LLVKDONJSA-N 1 0 243.351 0.862 20 30 BCEDRO C=CCN(C(=O)NCC1C[NH2+]C1)[C@@H](C)COC ZINC000659529237 411486214 /nfs/dbraw/zinc/48/62/14/411486214.db2.gz ZUFJNOAHJAWIHQ-JTQLQIEISA-N 1 0 241.335 0.438 20 30 BCEDRO C=CCOCCCNC(=O)NC/C=C/C[NH3+] ZINC000659543027 411511020 /nfs/dbraw/zinc/51/10/20/411511020.db2.gz DOEFIZIOXJFNOM-ONEGZZNKSA-N 1 0 227.308 0.393 20 30 BCEDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000160130272 170007266 /nfs/dbraw/zinc/00/72/66/170007266.db2.gz MNVVCSJPAVAYAZ-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000175389823 170008428 /nfs/dbraw/zinc/00/84/28/170008428.db2.gz BCVKWMJCNOKVDZ-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000660188941 411552343 /nfs/dbraw/zinc/55/23/43/411552343.db2.gz VLYGQFLBFBWRCP-NSHDSACASA-N 1 0 246.376 0.822 20 30 BCEDRO CCOC(=O)CCc1csc(NC(N)=[NH2+])n1 ZINC000072416101 170212121 /nfs/dbraw/zinc/21/21/21/170212121.db2.gz JFCWOGZNJDRFFS-UHFFFAOYSA-N 1 0 242.304 0.544 20 30 BCEDRO C=CCOCCC[NH2+]Cc1cnnn1CC ZINC000657659164 411572342 /nfs/dbraw/zinc/57/23/42/411572342.db2.gz PQITVIBQAXHSBW-UHFFFAOYSA-N 1 0 224.308 0.980 20 30 BCEDRO C=CCOCCC[NH2+][C@H]1CCN(CCOC)C1 ZINC000657658510 411572507 /nfs/dbraw/zinc/57/25/07/411572507.db2.gz ZYAYDJKLOPEHCQ-ZDUSSCGKSA-N 1 0 242.363 0.889 20 30 BCEDRO C=CCCNC(=O)NC1CC[NH+](C)CC1 ZINC000660820795 411646659 /nfs/dbraw/zinc/64/66/59/411646659.db2.gz GKYBOSAZCBXTIA-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](CNc2cc(C#N)ncn2)C1 ZINC000572196317 411632530 /nfs/dbraw/zinc/63/25/30/411632530.db2.gz QBMDXQJDFPRSOV-NSHDSACASA-N 1 0 245.330 1.492 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1c(C)nnn1CC ZINC000657791354 411597196 /nfs/dbraw/zinc/59/71/96/411597196.db2.gz RNNRLGVLBVUEJG-SECBINFHSA-N 1 0 210.281 0.243 20 30 BCEDRO CCOC[C@H](O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336757230 170454586 /nfs/dbraw/zinc/45/45/86/170454586.db2.gz JBSCGWDRSZWCIS-OUAUKWLOSA-N 1 0 212.293 0.666 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCc1cn[nH]n1 ZINC000660742749 411620412 /nfs/dbraw/zinc/62/04/12/411620412.db2.gz ZQVPXQXPTNTKLB-MNOVXSKESA-N 1 0 222.292 0.670 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(C)CCC[NH3+] ZINC000133200719 411650816 /nfs/dbraw/zinc/65/08/16/411650816.db2.gz APVOFGGIPLJLJD-UHFFFAOYSA-N 1 0 225.336 0.468 20 30 BCEDRO C=C[C@H](CO)NC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000660844108 411656235 /nfs/dbraw/zinc/65/62/35/411656235.db2.gz DUDNVHDTLNOTIR-GHMZBOCLSA-N 1 0 241.335 0.174 20 30 BCEDRO C=CCOCCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000661008129 411690173 /nfs/dbraw/zinc/69/01/73/411690173.db2.gz UPEWURUNWZSQHK-UHFFFAOYSA-N 1 0 241.335 0.392 20 30 BCEDRO C=CC[N@H+](CC1(CO)COC1)[C@H](C)COC ZINC000661244193 411743811 /nfs/dbraw/zinc/74/38/11/411743811.db2.gz REOQVRYZNAECMA-LLVKDONJSA-N 1 0 229.320 0.518 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CCO ZINC000661487736 411785876 /nfs/dbraw/zinc/78/58/76/411785876.db2.gz ICDZJBMRDZBWOX-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661601287 411811507 /nfs/dbraw/zinc/81/15/07/411811507.db2.gz MMWOALBFTALNHY-TUAOUCFPSA-N 1 0 238.331 0.524 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661599833 411811800 /nfs/dbraw/zinc/81/18/00/411811800.db2.gz FNUCMJGOIAJIEP-NWDGAFQWSA-N 1 0 236.315 0.237 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661599831 411812576 /nfs/dbraw/zinc/81/25/76/411812576.db2.gz FNUCMJGOIAJIEP-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C[C@@H](C[NH+](C)C)Nc1ccc(C#N)c(N)n1 ZINC000566480811 411818315 /nfs/dbraw/zinc/81/83/15/411818315.db2.gz AWIGRNANOWCHSQ-QMMMGPOBSA-N 1 0 219.292 0.897 20 30 BCEDRO C=CC[N@@H+](CCCS(N)(=O)=O)C(C)(C)C ZINC000661756133 411866442 /nfs/dbraw/zinc/86/64/42/411866442.db2.gz DHDQVSIVUVIOQG-UHFFFAOYSA-N 1 0 234.365 0.952 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661700950 411845387 /nfs/dbraw/zinc/84/53/87/411845387.db2.gz NXZNOVZSUVIJBW-SRVKXCTJSA-N 1 0 211.305 0.892 20 30 BCEDRO C=C(Cl)C[N@H+]1CCc2nnc(N)cc2C1 ZINC000375819653 411848603 /nfs/dbraw/zinc/84/86/03/411848603.db2.gz ZIEDGNNLWPCHLS-UHFFFAOYSA-N 1 0 224.695 1.169 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCC(=O)N(C)CC1 ZINC000661811420 411890176 /nfs/dbraw/zinc/89/01/76/411890176.db2.gz RDYMRJLIUPKIKN-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662013728 411940678 /nfs/dbraw/zinc/94/06/78/411940678.db2.gz LBVXMEZXECQUOG-JTQLQIEISA-N 1 0 211.309 0.860 20 30 BCEDRO N#CC1(CSc2nc(N)cc(N)[nH+]2)CC1 ZINC000331985867 411964411 /nfs/dbraw/zinc/96/44/11/411964411.db2.gz PIHPQDSBKJGTRX-UHFFFAOYSA-N 1 0 221.289 1.037 20 30 BCEDRO N#Cc1nc(N)n(CC2CC[NH2+]CC2)c1C#N ZINC000565771996 411974265 /nfs/dbraw/zinc/97/42/65/411974265.db2.gz BIKICKAGKKXQHC-UHFFFAOYSA-N 1 0 230.275 0.208 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC2(COC2)C1 ZINC000662076867 411978967 /nfs/dbraw/zinc/97/89/67/411978967.db2.gz XBXOWPPTEOITEE-UHFFFAOYSA-N 1 0 210.277 0.011 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)N2Cc1nnn(C)n1 ZINC000662090405 411986004 /nfs/dbraw/zinc/98/60/04/411986004.db2.gz OLKWOTMYCLFQHR-AOOOYVTPSA-N 1 0 219.292 0.893 20 30 BCEDRO C=CCCCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000664780992 412020209 /nfs/dbraw/zinc/02/02/09/412020209.db2.gz XDJADNNISDJTMD-QWRGUYRKSA-N 1 0 241.335 0.269 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662143253 412003136 /nfs/dbraw/zinc/00/31/36/412003136.db2.gz LJNNPZKOFQCIGP-NEPJUHHUSA-N 1 0 211.305 0.587 20 30 BCEDRO CC#CCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662152175 412008113 /nfs/dbraw/zinc/00/81/13/412008113.db2.gz QERJCRBXHCMRIN-AWEZNQCLSA-N 1 0 236.359 0.931 20 30 BCEDRO CC#CCCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000664703235 412012852 /nfs/dbraw/zinc/01/28/52/412012852.db2.gz CDVAUOZXXCLNAG-UHFFFAOYSA-N 1 0 223.320 0.603 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NC1CCCC1 ZINC000662165787 412014357 /nfs/dbraw/zinc/01/43/57/412014357.db2.gz OPHMZYDNKCIVTJ-NXEZZACHSA-N 1 0 226.320 0.570 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N1CCCCCC1 ZINC000662165983 412014565 /nfs/dbraw/zinc/01/45/65/412014565.db2.gz RBNYTAUFVMKDPZ-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NC1CCCCC1 ZINC000662165977 412014855 /nfs/dbraw/zinc/01/48/55/412014855.db2.gz RBMWHGXIBVZJHE-GHMZBOCLSA-N 1 0 240.347 0.960 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NC1CCCCC1 ZINC000662165979 412015126 /nfs/dbraw/zinc/01/51/26/412015126.db2.gz RBMWHGXIBVZJHE-WDEREUQCSA-N 1 0 240.347 0.960 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NC1CCCC1 ZINC000662165788 412015233 /nfs/dbraw/zinc/01/52/33/412015233.db2.gz OPHMZYDNKCIVTJ-VHSXEESVSA-N 1 0 226.320 0.570 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCCC(C)(C)C ZINC000662167016 412015772 /nfs/dbraw/zinc/01/57/72/412015772.db2.gz NVUXBHWQSHXDJC-SNVBAGLBSA-N 1 0 228.336 0.675 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCC[C@@H](C)C1 ZINC000662167419 412016617 /nfs/dbraw/zinc/01/66/17/412016617.db2.gz DLLHTJZSQDZBJC-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@H](CO)NCc1cnccc1OC ZINC000662168394 412016681 /nfs/dbraw/zinc/01/66/81/412016681.db2.gz DNLUAUTTXKQPPI-SNVBAGLBSA-N 1 0 208.261 0.727 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662038967 411955808 /nfs/dbraw/zinc/95/58/08/411955808.db2.gz OIKMXWFVYRGCNB-SDDRHHMPSA-N 1 0 238.331 0.645 20 30 BCEDRO CC[C@@H]1CC[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000336742766 171043902 /nfs/dbraw/zinc/04/39/02/171043902.db2.gz SMCGJODHJVFHHJ-ZJUUUORDSA-N 1 0 219.292 0.928 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000044823679 171217858 /nfs/dbraw/zinc/21/78/58/171217858.db2.gz AJBQRXXPGWMKRP-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO C=C(C)C[C@@H](NC(C)=O)C(=O)NCC[NH+](C)C ZINC000665111548 412098997 /nfs/dbraw/zinc/09/89/97/412098997.db2.gz DHAALCYDLPCWAR-LLVKDONJSA-N 1 0 241.335 0.135 20 30 BCEDRO C=CCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000665237837 412177752 /nfs/dbraw/zinc/17/77/52/412177752.db2.gz KYADOZJJYWQKCT-NEPJUHHUSA-N 1 0 210.321 0.919 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)Nc2ccn(CCC#N)n2)C1 ZINC000522727310 412256736 /nfs/dbraw/zinc/25/67/36/412256736.db2.gz FJDLOMXJTSOWBD-SNVBAGLBSA-N 1 0 247.302 0.687 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000662665048 412263285 /nfs/dbraw/zinc/26/32/85/412263285.db2.gz ZPLAYYNYRNVEJY-QMMMGPOBSA-N 1 0 236.262 0.678 20 30 BCEDRO N#Cc1cnnc(N[C@@H]2CCc3nc[nH]c3C2)c1 ZINC000596237284 412279166 /nfs/dbraw/zinc/27/91/66/412279166.db2.gz CUMCHPUOXBDAJN-SECBINFHSA-N 1 0 240.270 1.041 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662615705 412242764 /nfs/dbraw/zinc/24/27/64/412242764.db2.gz PDZIBDPCTPTRGV-LPEHRKFASA-N 1 0 212.293 0.431 20 30 BCEDRO C[NH+]1CCC(C(=O)Nc2n[nH]cc2C#N)CC1 ZINC000601642435 412244960 /nfs/dbraw/zinc/24/49/60/412244960.db2.gz ZIRFVMFQSGNVEW-UHFFFAOYSA-N 1 0 233.275 0.562 20 30 BCEDRO C=CCCNC(=O)c1cn(CCCC[NH3+])nn1 ZINC000662628821 412248682 /nfs/dbraw/zinc/24/86/82/412248682.db2.gz WBGICPFKXKPLHH-UHFFFAOYSA-N 1 0 237.307 0.323 20 30 BCEDRO C=CC[C@H]1CCCN(C(=O)COCC[NH3+])C1 ZINC000662635586 412252521 /nfs/dbraw/zinc/25/25/21/412252521.db2.gz MJOYGTWGDALDLN-NSHDSACASA-N 1 0 226.320 0.776 20 30 BCEDRO N#Cc1cc(NC2C[NH2+]C2)nc(C2CC2)n1 ZINC000601980808 412253025 /nfs/dbraw/zinc/25/30/25/412253025.db2.gz PMCSCLAXBCTEMF-UHFFFAOYSA-N 1 0 215.260 0.609 20 30 BCEDRO N#Cc1cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc(C2CC2)n1 ZINC000601980268 412253770 /nfs/dbraw/zinc/25/37/70/412253770.db2.gz FOBJXCKTIGIWPH-IAZYJMLFSA-N 1 0 241.298 0.855 20 30 BCEDRO C=CC[C@@]1(C(=O)NCc2cn(C)nn2)CCC[NH2+]1 ZINC000662829246 412314414 /nfs/dbraw/zinc/31/44/14/412314414.db2.gz BDBVPECZMFHIOE-LBPRGKRZSA-N 1 0 249.318 0.130 20 30 BCEDRO C=CC[C@]1(C(=O)NCCOCCF)CCC[NH2+]1 ZINC000663002177 412366673 /nfs/dbraw/zinc/36/66/73/412366673.db2.gz CKLKJMFAVCZTJZ-GFCCVEGCSA-N 1 0 244.310 0.787 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC1CC[NH+](CCC)CC1 ZINC000665464415 412329923 /nfs/dbraw/zinc/32/99/23/412329923.db2.gz BYXVTTQWEWTBRQ-ZDUSSCGKSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000662872605 412331058 /nfs/dbraw/zinc/33/10/58/412331058.db2.gz GZKCELWPBFIRDX-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCCC[NH+]1CCCC1 ZINC000665488739 412336941 /nfs/dbraw/zinc/33/69/41/412336941.db2.gz XTYBUBMDQPKVLZ-GFCCVEGCSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000665509078 412340552 /nfs/dbraw/zinc/34/05/52/412340552.db2.gz WNYRRCXACAXHMW-ZDUSSCGKSA-N 1 0 240.347 0.912 20 30 BCEDRO Cc1cc(NC(=O)CC[NH2+]CC2(C#N)CC2)no1 ZINC000566124565 412341092 /nfs/dbraw/zinc/34/10/92/412341092.db2.gz KBUDWIICKHPCLD-UHFFFAOYSA-N 1 0 248.286 1.205 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@H](C)C[NH2+]C ZINC000662962270 412355778 /nfs/dbraw/zinc/35/57/78/412355778.db2.gz JHOUTTQNXRYNMN-ZJUUUORDSA-N 1 0 214.309 0.692 20 30 BCEDRO COCC[N@H+](C)CCCNc1cc(C#N)ncn1 ZINC000582464182 412365786 /nfs/dbraw/zinc/36/57/86/412365786.db2.gz SOGQOGAWFVULNN-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663010659 412369579 /nfs/dbraw/zinc/36/95/79/412369579.db2.gz KJMFZZARPMPFAQ-PWSUYJOCSA-N 1 0 226.320 0.836 20 30 BCEDRO CC[N@H+](C)CCNc1ccc(C#N)c(N)n1 ZINC000566479804 412372907 /nfs/dbraw/zinc/37/29/07/412372907.db2.gz ZHJCOORXKOWILU-UHFFFAOYSA-N 1 0 219.292 0.899 20 30 BCEDRO C=CCCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000133021237 412391428 /nfs/dbraw/zinc/39/14/28/412391428.db2.gz UQSPYHNKGVPRIJ-ZJUUUORDSA-N 1 0 212.293 0.527 20 30 BCEDRO CN(C(=O)c1ccc(C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000071310117 172339180 /nfs/dbraw/zinc/33/91/80/172339180.db2.gz HFAHGXWTMLQGCW-LBPRGKRZSA-N 1 0 229.283 0.992 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)c2cc(C#N)ccn2)CC1 ZINC000282926072 173013338 /nfs/dbraw/zinc/01/33/38/173013338.db2.gz JCBNXFFFLMXXPU-UHFFFAOYSA-N 1 0 244.298 0.731 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000287612073 173030229 /nfs/dbraw/zinc/03/02/29/173030229.db2.gz SYPJYHFJAABLQR-LLVKDONJSA-N 1 0 244.298 0.777 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cnccc1C#N ZINC000358648100 173056086 /nfs/dbraw/zinc/05/60/86/173056086.db2.gz HZSAXOLWBVNOHH-NSHDSACASA-N 1 0 244.298 0.777 20 30 BCEDRO Cn1ncc(C(=O)NC[C@@H]2CCC[N@@H+]2C)c1C#N ZINC000356094482 173056571 /nfs/dbraw/zinc/05/65/71/173056571.db2.gz LXTBZWCFONPQGO-VIFPVBQESA-N 1 0 247.302 0.116 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNc1cccc(C#N)n1 ZINC000226963332 173077350 /nfs/dbraw/zinc/07/73/50/173077350.db2.gz DSPNSILOUOTMFF-LBPRGKRZSA-N 1 0 245.330 0.611 20 30 BCEDRO C[NH+]1CCN(CCNc2ccc(C#N)cn2)CC1 ZINC000037497232 173082562 /nfs/dbraw/zinc/08/25/62/173082562.db2.gz WMOMCQOAIGCMIN-UHFFFAOYSA-N 1 0 245.330 0.613 20 30 BCEDRO C[NH+]1CCN(C[C@@H](O)c2ccc(C#N)cc2)CC1 ZINC000034673883 173086037 /nfs/dbraw/zinc/08/60/37/173086037.db2.gz QWZRGIGWGQQYQL-CQSZACIVSA-N 1 0 245.326 0.839 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)ccn2)C1 ZINC000258953078 173114581 /nfs/dbraw/zinc/11/45/81/173114581.db2.gz KNISSGZPXAZGMD-NSHDSACASA-N 1 0 244.298 0.635 20 30 BCEDRO C[N@@H+]1CC[C@@]2(CCN(c3cnc(C#N)cn3)C2)C1 ZINC000292313641 173141372 /nfs/dbraw/zinc/14/13/72/173141372.db2.gz OLYIUPCWPWNUCD-CYBMUJFWSA-N 1 0 243.314 0.880 20 30 BCEDRO CN1C[C@@H]([NH2+]Cc2ccc(C#N)s2)CC1=O ZINC000267170262 173187350 /nfs/dbraw/zinc/18/73/50/173187350.db2.gz HVCBYIORIFXGOF-QMMMGPOBSA-N 1 0 235.312 0.940 20 30 BCEDRO CN1C[C@H]([NH2+]Cc2ccc(C#N)s2)CC1=O ZINC000267170258 173195136 /nfs/dbraw/zinc/19/51/36/173195136.db2.gz HVCBYIORIFXGOF-MRVPVSSYSA-N 1 0 235.312 0.940 20 30 BCEDRO C[N@H+]1C[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]2C1 ZINC000192568108 173196843 /nfs/dbraw/zinc/19/68/43/173196843.db2.gz BUDHABOJOBKUHE-PHIMTYICSA-N 1 0 244.298 0.520 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3cccc(C#N)n3)C[C@H]2C1 ZINC000278797066 173199935 /nfs/dbraw/zinc/19/99/35/173199935.db2.gz QRMFWSZZKNVPPQ-PHIMTYICSA-N 1 0 228.299 0.951 20 30 BCEDRO CNC(=O)[C@@H]1CCCC[N@@H+]1CCCC#N ZINC000042422114 173297524 /nfs/dbraw/zinc/29/75/24/173297524.db2.gz RWYMIZMQQGVJCG-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C[NH2+]CCNC(=O)Nc1cccc(C#N)c1 ZINC000054244432 173355411 /nfs/dbraw/zinc/35/54/11/173355411.db2.gz CFXSYSSOAAHTAT-UHFFFAOYSA-N 1 0 218.260 0.899 20 30 BCEDRO C[NH2+]CCNS(=O)(=O)c1cccc(C#N)c1 ZINC000054244594 173356710 /nfs/dbraw/zinc/35/67/10/173356710.db2.gz VHQRXRUFUDSCDM-UHFFFAOYSA-N 1 0 239.300 0.056 20 30 BCEDRO COC(=O)C1(C[NH2+]Cc2cc(C#N)n(C)c2)CC1 ZINC000191516576 173510241 /nfs/dbraw/zinc/51/02/41/173510241.db2.gz OMCDRKREVNHQBB-UHFFFAOYSA-N 1 0 247.298 0.940 20 30 BCEDRO COCCN1CC[C@H]([NH2+]CC(C)(C)C#N)C1 ZINC000336777479 174315326 /nfs/dbraw/zinc/31/53/26/174315326.db2.gz IOOOATJNPUKHJM-NSHDSACASA-N 1 0 225.336 0.846 20 30 BCEDRO COCC[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000123143470 174335808 /nfs/dbraw/zinc/33/58/08/174335808.db2.gz XNVZWJSUZCNYBJ-UHFFFAOYSA-N 1 0 230.271 0.942 20 30 BCEDRO COCC[C@@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000309617467 174382676 /nfs/dbraw/zinc/38/26/76/174382676.db2.gz DEHHKHNNWRNKED-SECBINFHSA-N 1 0 223.280 0.164 20 30 BCEDRO C[C@@H]1CN(c2nccnc2C#N)C[C@@H]1[NH+](C)C ZINC000123980332 176321964 /nfs/dbraw/zinc/32/19/64/176321964.db2.gz WHIZYMNKUGAHLP-KOLCDFICSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCCn2ccnc2)N1 ZINC000285145490 177279326 /nfs/dbraw/zinc/27/93/26/177279326.db2.gz RMRXNYGVTXDREM-VIFPVBQESA-N 1 0 207.281 0.211 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)N[C@]1(C#N)CC1(C)C ZINC000493157690 226135606 /nfs/dbraw/zinc/13/56/06/226135606.db2.gz OPGUOFAXSSIQTF-FJOGCWAESA-N 1 0 221.304 0.913 20 30 BCEDRO C=CCOCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000304215356 487671046 /nfs/dbraw/zinc/67/10/46/487671046.db2.gz GCZWJTJKNRQNCQ-SNVBAGLBSA-N 1 0 244.360 0.400 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662612428 487672090 /nfs/dbraw/zinc/67/20/90/487672090.db2.gz ZUXCKUNEJLMIFJ-SECBINFHSA-N 1 0 249.318 0.507 20 30 BCEDRO C=CCC(F)(F)C(=O)NCC[N@H+](C)CCO ZINC000899738523 584233077 /nfs/dbraw/zinc/23/30/77/584233077.db2.gz FPOZUCWFFQIIRD-UHFFFAOYSA-N 1 0 236.262 0.238 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+](CC)CCOCCO ZINC000669695746 487687567 /nfs/dbraw/zinc/68/75/67/487687567.db2.gz AFLFVEWFVKSWLT-NSHDSACASA-N 1 0 217.309 0.254 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@@H](C)C[NH2+]C ZINC000659644829 487695473 /nfs/dbraw/zinc/69/54/73/487695473.db2.gz ZPMQSGUGNLYYFP-VHSXEESVSA-N 1 0 229.324 0.221 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000671696556 487695307 /nfs/dbraw/zinc/69/53/07/487695307.db2.gz FYWBMOGSXGJZNG-QWHCGFSZSA-N 1 0 241.331 0.805 20 30 BCEDRO CC[N@@H+]1CCN(CC#CCOC)[C@@H](C)C1 ZINC000671716857 487701130 /nfs/dbraw/zinc/70/11/30/487701130.db2.gz XZMTWYRJUOBZBJ-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCSC ZINC000899969726 584261777 /nfs/dbraw/zinc/26/17/77/584261777.db2.gz NEVLKDOMWANBHE-UHFFFAOYSA-N 1 0 216.350 0.974 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1ccc(C#N)cn1 ZINC000107779636 264820090 /nfs/dbraw/zinc/82/00/90/264820090.db2.gz HQEOUVCBTLOIHR-UHFFFAOYSA-N 1 0 232.287 0.635 20 30 BCEDRO N#Cc1cncnc1N[C@@H]1CC[NH2+]C12CCC2 ZINC000530180417 268171206 /nfs/dbraw/zinc/17/12/06/268171206.db2.gz ZLKXIBRXPBLDKA-SNVBAGLBSA-N 1 0 229.287 0.467 20 30 BCEDRO C#CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000753970499 585273975 /nfs/dbraw/zinc/27/39/75/585273975.db2.gz LZNNQMGCLXEZRV-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCOCCC(=O)N(C)CC[NH+](C)C ZINC000755944901 585311109 /nfs/dbraw/zinc/31/11/09/585311109.db2.gz CQBBALSNMZOIGV-UHFFFAOYSA-N 1 0 212.293 0.046 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCCC[N@@H+](C)C(C)C ZINC000666312529 487784614 /nfs/dbraw/zinc/78/46/14/487784614.db2.gz XQGQQGFEFIYYBH-GFCCVEGCSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000666318163 487786482 /nfs/dbraw/zinc/78/64/82/487786482.db2.gz WZWMHLJMIWIRKE-AAEUAGOBSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000668012511 487796142 /nfs/dbraw/zinc/79/61/42/487796142.db2.gz DARBHCZRJGWQES-VHSXEESVSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000668012512 487796365 /nfs/dbraw/zinc/79/63/65/487796365.db2.gz DARBHCZRJGWQES-ZJUUUORDSA-N 1 0 212.293 0.086 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCC(C)(F)F ZINC000591768179 487798570 /nfs/dbraw/zinc/79/85/70/487798570.db2.gz KHXTVPYQKLGORM-SNVBAGLBSA-N 1 0 249.305 0.828 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000681470261 487799868 /nfs/dbraw/zinc/79/98/68/487799868.db2.gz SYXSRGBOVMDMEF-NSHDSACASA-N 1 0 235.287 0.477 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000668476063 487802082 /nfs/dbraw/zinc/80/20/82/487802082.db2.gz WOCAXPNAMTYZOG-GFCCVEGCSA-N 1 0 226.320 0.478 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000668477421 487804093 /nfs/dbraw/zinc/80/40/93/487804093.db2.gz GCCNFNKTKQNOGV-GFCCVEGCSA-N 1 0 226.320 0.476 20 30 BCEDRO Cn1nccc1CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592153188 487807405 /nfs/dbraw/zinc/80/74/05/487807405.db2.gz KFXJDEQTJFHQLS-LBPRGKRZSA-N 1 0 234.303 0.313 20 30 BCEDRO C#CC(C)(C)[N@H+](C)CCCC(=O)NC(N)=O ZINC000794578993 586045056 /nfs/dbraw/zinc/04/50/56/586045056.db2.gz OOKAVHNOSTWIBF-UHFFFAOYSA-N 1 0 225.292 0.305 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000491789276 527205075 /nfs/dbraw/zinc/20/50/75/527205075.db2.gz ZBLOGYUUIXTLCE-PSASIEDQSA-N 1 0 209.293 0.387 20 30 BCEDRO CON=CC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000816504936 586737537 /nfs/dbraw/zinc/73/75/37/586737537.db2.gz IBEBUFJUKBNWRB-UHFFFAOYSA-N 1 0 213.281 0.171 20 30 BCEDRO C=CCOCC(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000676287278 487832547 /nfs/dbraw/zinc/83/25/47/487832547.db2.gz RCCQWGGISFISBD-GHMZBOCLSA-N 1 0 242.319 0.024 20 30 BCEDRO C#CCSCCNC(=O)NCC[C@H](C)[NH3+] ZINC000841832921 587976960 /nfs/dbraw/zinc/97/69/60/587976960.db2.gz XWUUEXJHFQMUMO-VIFPVBQESA-N 1 0 229.349 0.389 20 30 BCEDRO CS[C@H](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000844194806 588172598 /nfs/dbraw/zinc/17/25/98/588172598.db2.gz MHKOYDIUSLWYJO-HRDYMLBCSA-N 1 0 227.333 0.356 20 30 BCEDRO C=C(C)CONC(=O)NC[C@H](C)[NH+](C)C ZINC000845609849 588235811 /nfs/dbraw/zinc/23/58/11/588235811.db2.gz APSRCBJUXJHPEY-VIFPVBQESA-N 1 0 215.297 0.743 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000666607863 487840659 /nfs/dbraw/zinc/84/06/59/487840659.db2.gz DMWNKHJGKZLMQM-LOWVWBTDSA-N 1 0 238.331 0.666 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCC1(CO)CC1 ZINC000849037352 588445788 /nfs/dbraw/zinc/44/57/88/588445788.db2.gz BOZTZLSKUHOHOR-UHFFFAOYSA-N 1 0 211.309 0.839 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)NCC#Cc1ccccc1 ZINC000668994529 487842847 /nfs/dbraw/zinc/84/28/47/487842847.db2.gz QBUFPKJRDZXTHK-LLVKDONJSA-N 1 0 231.299 0.685 20 30 BCEDRO COCC#CC[N@H+](CC(C)(C)O)C1CC1 ZINC000681705227 487844494 /nfs/dbraw/zinc/84/44/94/487844494.db2.gz VKFYATDPRAHMGG-UHFFFAOYSA-N 1 0 211.305 0.872 20 30 BCEDRO C=CC[N@H+]1CCCC[C@@H]1CNC(=O)NC ZINC000879333060 590748696 /nfs/dbraw/zinc/74/86/96/590748696.db2.gz PRSOTPWYYRJFTQ-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C#CC[N@@H+](CCCS(=O)(=O)NC)C(C)(C)C ZINC000932463801 640537062 /nfs/dbraw/zinc/53/70/62/640537062.db2.gz JFZCINSJOYVKDB-UHFFFAOYSA-N 1 0 246.376 0.659 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000666756333 487872971 /nfs/dbraw/zinc/87/29/71/487872971.db2.gz QODODQIAUAMOHH-DGCLKSJQSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC000234833499 487883233 /nfs/dbraw/zinc/88/32/33/487883233.db2.gz KMQPLFQUTHJWKH-WDEREUQCSA-N 1 0 217.309 0.565 20 30 BCEDRO C#CC[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000088362457 644517099 /nfs/dbraw/zinc/51/70/99/644517099.db2.gz ADONCLVDTRDRPC-WDEREUQCSA-N 1 0 208.305 0.904 20 30 BCEDRO COCC#CCN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682036523 487886326 /nfs/dbraw/zinc/88/63/26/487886326.db2.gz XXJRRZHWKXRCMY-UHFFFAOYSA-N 1 0 240.347 0.025 20 30 BCEDRO COCC#CC[N@H+]1CC[C@@H](OCCOC)C1 ZINC000682039533 487888123 /nfs/dbraw/zinc/88/81/23/487888123.db2.gz WZRDUMWDQFERQN-GFCCVEGCSA-N 1 0 227.304 0.374 20 30 BCEDRO C#CCC1(O)CC[NH+]([C@@H](C)COC)CC1 ZINC000880480544 645832307 /nfs/dbraw/zinc/83/23/07/645832307.db2.gz WMZVJFGIILMYDH-NSHDSACASA-N 1 0 211.305 0.872 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000666914211 487903139 /nfs/dbraw/zinc/90/31/39/487903139.db2.gz AJEFCTYLQJJJET-GWCFXTLKSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661700780 487908748 /nfs/dbraw/zinc/90/87/48/487908748.db2.gz KMLMTIHXMRXUBX-LOWVWBTDSA-N 1 0 238.331 0.645 20 30 BCEDRO C=C[C@H](C)NC(=O)c1ccnc(C[NH3+])c1 ZINC000165220052 487936301 /nfs/dbraw/zinc/93/63/01/487936301.db2.gz NVRHQPIKNCYSER-QMMMGPOBSA-N 1 0 205.261 0.845 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000667159111 487951481 /nfs/dbraw/zinc/95/14/81/487951481.db2.gz USJDJMNYYBDWNM-LLVKDONJSA-N 1 0 212.293 0.134 20 30 BCEDRO CC(C)C(=O)NCC[NH2+]C[C@@H](C#N)CCC#N ZINC000558482879 322950879 /nfs/dbraw/zinc/95/08/79/322950879.db2.gz ARCSDQGDDZHFAS-LLVKDONJSA-N 1 0 236.319 0.792 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccncc1 ZINC000569436802 322966044 /nfs/dbraw/zinc/96/60/44/322966044.db2.gz BTXVNANQQBJIKQ-NEPJUHHUSA-N 1 0 247.298 0.375 20 30 BCEDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000569449668 322966340 /nfs/dbraw/zinc/96/63/40/322966340.db2.gz OOIOJAFMMYOMAQ-UTUOFQBUSA-N 1 0 243.351 0.206 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccccn1 ZINC000064615474 323035765 /nfs/dbraw/zinc/03/57/65/323035765.db2.gz ZTOSZKNKLIHFCD-UHFFFAOYSA-N 1 0 217.272 0.311 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)[C@]1(C#N)C[C@H]1C ZINC000448976486 323037338 /nfs/dbraw/zinc/03/73/38/323037338.db2.gz NAYBVYBRXUNUNW-FOGDFJRCSA-N 1 0 223.320 0.993 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000569807919 323040995 /nfs/dbraw/zinc/04/09/95/323040995.db2.gz FRKLWPLKFAWQSP-DBIOUOCHSA-N 1 0 241.335 0.755 20 30 BCEDRO CC#CCCNC(=O)[C@H]1CCc2cncn2C1 ZINC000569813312 323041364 /nfs/dbraw/zinc/04/13/64/323041364.db2.gz DMXBYBZXCRIVSB-NSHDSACASA-N 1 0 231.299 0.975 20 30 BCEDRO C=CCN1CC[N@H+](CC=C)[C@@H](CCO)C1 ZINC000570269805 323054683 /nfs/dbraw/zinc/05/46/83/323054683.db2.gz DWIABLLAEAAIRM-LBPRGKRZSA-N 1 0 210.321 0.727 20 30 BCEDRO C#CCN1CCC([N@H+](C)CCCO)CC1 ZINC000115550049 323077330 /nfs/dbraw/zinc/07/73/30/323077330.db2.gz ZZMLVMMIMPFHTH-UHFFFAOYSA-N 1 0 210.321 0.398 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000563002663 323079309 /nfs/dbraw/zinc/07/93/09/323079309.db2.gz HVEQXUSKAMUUOS-FVCCEPFGSA-N 1 0 237.347 0.581 20 30 BCEDRO CC1(C)C[N@H+](CCOCCC#N)C[C@@H]1O ZINC000339138328 323085907 /nfs/dbraw/zinc/08/59/07/323085907.db2.gz KHKIWCAYQCGEMJ-JTQLQIEISA-N 1 0 212.293 0.619 20 30 BCEDRO C=CCOCCCC(=O)N(C)CC[NH3+] ZINC000563115962 323093426 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/nfs/dbraw/zinc/82/40/28/325824028.db2.gz YGCONILTVYEIEL-JTQLQIEISA-N 1 0 231.303 0.736 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccco1 ZINC000566108645 325996212 /nfs/dbraw/zinc/99/62/12/325996212.db2.gz XBICCLZKKHMFRC-NSHDSACASA-N 1 0 237.303 0.576 20 30 BCEDRO C[NH2+]C[C@@H](C)CNC(=O)c1ccc(C#N)c(C)n1 ZINC000566404531 326040062 /nfs/dbraw/zinc/04/00/62/326040062.db2.gz OQAIKVRUIOIHQE-SECBINFHSA-N 1 0 246.314 0.847 20 30 BCEDRO C[C@@H]1CN(CC[NH2+][C@H]2CC[C@H](C#N)C2)CCO1 ZINC000567212354 326139015 /nfs/dbraw/zinc/13/90/15/326139015.db2.gz ALUNLMSJDKVADU-AGIUHOORSA-N 1 0 237.347 0.989 20 30 BCEDRO C[C@@H]1CN(CC[NH2+][C@@H]2CC[C@H](C#N)C2)CCO1 ZINC000567212355 326139255 /nfs/dbraw/zinc/13/92/55/326139255.db2.gz ALUNLMSJDKVADU-FRRDWIJNSA-N 1 0 237.347 0.989 20 30 BCEDRO N#Cc1ncn(CC[NH2+]C[C@H]2CCSC2)n1 ZINC000309554259 326158484 /nfs/dbraw/zinc/15/84/84/326158484.db2.gz HAUQYBOTCBNWHS-SECBINFHSA-N 1 0 237.332 0.492 20 30 BCEDRO C#CC[N@@H+](CCN1C(=O)CNC1=O)C1CCCC1 ZINC000155880001 326213811 /nfs/dbraw/zinc/21/38/11/326213811.db2.gz XENIQCOFOTVNFH-UHFFFAOYSA-N 1 0 249.314 0.416 20 30 BCEDRO C#CC[N@@H+](CC(=O)NC(N)=O)C1CCCC1 ZINC000155909626 326214270 /nfs/dbraw/zinc/21/42/70/326214270.db2.gz JSASLKZVZJWCNI-UHFFFAOYSA-N 1 0 223.276 0.059 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC1CCOCC1 ZINC000155946740 326215330 /nfs/dbraw/zinc/21/53/30/326215330.db2.gz QGVVRBLNEZRHQX-NSHDSACASA-N 1 0 238.331 0.483 20 30 BCEDRO N#CCC[NH2+]C1CCN(c2cccnn2)CC1 ZINC000567726501 326252058 /nfs/dbraw/zinc/25/20/58/326252058.db2.gz IAIPOZQUKCMGLM-UHFFFAOYSA-N 1 0 231.303 0.949 20 30 BCEDRO CN1CC[NH2+]C[C@@H]1CNCc1cccc(C#N)c1 ZINC000568096377 326307227 /nfs/dbraw/zinc/30/72/27/326307227.db2.gz ZIJAJAILNIJTQF-CQSZACIVSA-N 1 0 244.342 0.551 20 30 BCEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)CC#N ZINC000568106958 326308961 /nfs/dbraw/zinc/30/89/61/326308961.db2.gz YRTHNKQIVDIEPP-SNVBAGLBSA-N 1 0 227.308 0.109 20 30 BCEDRO Cc1nc(C(=O)NCC[C@@H](C)[NH3+])ccc1C#N ZINC000568148342 326313027 /nfs/dbraw/zinc/31/30/27/326313027.db2.gz SHNUDZAHWNUOJJ-MRVPVSSYSA-N 1 0 232.287 0.729 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000568206006 326326080 /nfs/dbraw/zinc/32/60/80/326326080.db2.gz ZWIFQHJWKOXRCV-LBPRGKRZSA-N 1 0 240.347 0.988 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1CCOCCC#N ZINC000568503779 326360430 /nfs/dbraw/zinc/36/04/30/326360430.db2.gz SUGKDIMZYLYQAD-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO Cc1ccc(OC[C@H](O)C[NH2+]CC#CCO)cc1 ZINC000569243284 326397655 /nfs/dbraw/zinc/39/76/55/326397655.db2.gz GWXYMZLNWNNZAM-CYBMUJFWSA-N 1 0 249.310 0.320 20 30 BCEDRO C=CCCOCC(=O)NCCC1(C[NH3+])CC1 ZINC000653218905 487977144 /nfs/dbraw/zinc/97/71/44/487977144.db2.gz QISFDSDJRDGVHR-UHFFFAOYSA-N 1 0 226.320 0.824 20 30 BCEDRO CCN(CCC#N)C[C@@H](O)C[N@H+](C)CC ZINC000309013313 487977104 /nfs/dbraw/zinc/97/71/04/487977104.db2.gz PYTRTFOXKGJISC-NSHDSACASA-N 1 0 213.325 0.535 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H](COC)C1 ZINC000677132944 487979301 /nfs/dbraw/zinc/97/93/01/487979301.db2.gz AMIOAZWBLNUWLU-GFCCVEGCSA-N 1 0 211.305 0.995 20 30 BCEDRO COCC#CC[N@H+](C)CCN1CCCC1=O ZINC000677133487 487980382 /nfs/dbraw/zinc/98/03/82/487980382.db2.gz YQRPNURIQCRWQD-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195273446 488012561 /nfs/dbraw/zinc/01/25/61/488012561.db2.gz CZGVRVROZZBTLE-SDDRHHMPSA-N 1 0 238.331 0.645 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000669123718 488012902 /nfs/dbraw/zinc/01/29/02/488012902.db2.gz HBOVJYYMQYVLFD-WOPDTQHZSA-N 1 0 240.347 0.722 20 30 BCEDRO C=CCN(C)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924847 488021485 /nfs/dbraw/zinc/02/14/85/488021485.db2.gz RKCVYGHJTFGONB-LURJTMIESA-N 1 0 225.214 0.703 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCc2ccno2)CC1 ZINC000490934649 488028016 /nfs/dbraw/zinc/02/80/16/488028016.db2.gz JUEAGSBOISXMMK-UHFFFAOYSA-N 1 0 247.298 0.636 20 30 BCEDRO C#CCNC(=O)CC[NH+]1C2CCC1CC2 ZINC000491069582 488029723 /nfs/dbraw/zinc/02/97/23/488029723.db2.gz WXOTVUXCFWBAMI-UHFFFAOYSA-N 1 0 206.289 0.753 20 30 BCEDRO C=CCCCCCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000656022390 488031266 /nfs/dbraw/zinc/03/12/66/488031266.db2.gz YAKRHMXMGPDJAJ-SNVBAGLBSA-N 1 0 241.335 0.312 20 30 BCEDRO C=CCN(CC=C)C(=O)COC1(C)C[NH2+]C1 ZINC000165823405 488044411 /nfs/dbraw/zinc/04/44/11/488044411.db2.gz JHUVJZVQJROGQN-UHFFFAOYSA-N 1 0 224.304 0.566 20 30 BCEDRO C=CCCCN(C)C(=O)COC1(C)C[NH2+]C1 ZINC000165848981 488046463 /nfs/dbraw/zinc/04/64/63/488046463.db2.gz FUPFPVMULPLZPR-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCC[C@H]([NH+](C)C)C1 ZINC000677477850 488047278 /nfs/dbraw/zinc/04/72/78/488047278.db2.gz BBBXDNNUICEKCQ-NWDGAFQWSA-N 1 0 212.337 0.949 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000667562956 488046907 /nfs/dbraw/zinc/04/69/07/488046907.db2.gz PTLMRAJSTADMQZ-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N[C@@]1(C#N)CCSC1 ZINC000604474426 488047456 /nfs/dbraw/zinc/04/74/56/488047456.db2.gz NXRLGEJOWCCSJC-LLVKDONJSA-N 1 0 241.360 0.842 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)CCOCCOC ZINC000677519169 488063066 /nfs/dbraw/zinc/06/30/66/488063066.db2.gz REVUMUICEJTEIC-LLVKDONJSA-N 1 0 217.309 0.518 20 30 BCEDRO C=CCn1cc(CN(C)CCC[NH3+])nn1 ZINC000401963219 488073761 /nfs/dbraw/zinc/07/37/61/488073761.db2.gz ZKTLGMAZDAAPTP-UHFFFAOYSA-N 1 0 209.297 0.245 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000389402264 488094499 /nfs/dbraw/zinc/09/44/99/488094499.db2.gz ILRNCZLDZNRGTQ-VHSXEESVSA-N 1 0 212.293 0.433 20 30 BCEDRO COCC#CCN1CCC[C@@H]([NH+](C)C)C1 ZINC000677478436 488104736 /nfs/dbraw/zinc/10/47/36/488104736.db2.gz YMCOUWHOEKLDOR-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000669249420 488126639 /nfs/dbraw/zinc/12/66/39/488126639.db2.gz KUMMVTIHDOSLRZ-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000669345030 487537540 /nfs/dbraw/zinc/53/75/40/487537540.db2.gz DLPYNNFRXUXRFW-NEPJUHHUSA-N 1 0 240.347 0.724 20 30 BCEDRO CNC(=O)C1CC[NH+](CC#CCOC)CC1 ZINC000677816875 488130015 /nfs/dbraw/zinc/13/00/15/488130015.db2.gz FQCFNAABOWIDJV-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO CC[N@H+](CC#CCOC)C[C@@H]1CCOC1 ZINC000677817759 488131786 /nfs/dbraw/zinc/13/17/86/488131786.db2.gz BDQLTZDJMHQXGI-LBPRGKRZSA-N 1 0 211.305 0.995 20 30 BCEDRO COCC#CC[N@@H+]1CCCC[C@H]1CCO ZINC000677818421 488132851 /nfs/dbraw/zinc/13/28/51/488132851.db2.gz MTAYEZVVXYCTGT-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000168787867 487541315 /nfs/dbraw/zinc/54/13/15/487541315.db2.gz URVSQCIFCHLXLR-VIFPVBQESA-N 1 0 214.334 0.774 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000669359869 487552284 /nfs/dbraw/zinc/55/22/84/487552284.db2.gz WYWDNDYOKJCUHU-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000677820043 488136197 /nfs/dbraw/zinc/13/61/97/488136197.db2.gz VOAQILTVOXULLV-QWHCGFSZSA-N 1 0 223.316 0.995 20 30 BCEDRO COCC#CC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000677820610 488136718 /nfs/dbraw/zinc/13/67/18/488136718.db2.gz QXPAYXIIYLFPEP-RYUDHWBXSA-N 1 0 241.356 0.843 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000669563811 487483802 /nfs/dbraw/zinc/48/38/02/487483802.db2.gz CBSISPLEPCNUBL-NEPJUHHUSA-N 1 0 235.331 0.793 20 30 BCEDRO C=CCCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405216341 487477311 /nfs/dbraw/zinc/47/73/11/487477311.db2.gz KCARXMJWWPLRJH-WDEREUQCSA-N 1 0 224.304 0.230 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000237534114 487481138 /nfs/dbraw/zinc/48/11/38/487481138.db2.gz GHGPTFAEZMLGCT-UWVGGRQHSA-N 1 0 232.349 0.704 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])CC(C)C ZINC000308787744 487487998 /nfs/dbraw/zinc/48/79/98/487487998.db2.gz GYMYPZIXNNCBFP-JTQLQIEISA-N 1 0 214.309 0.679 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000668755985 487488561 /nfs/dbraw/zinc/48/85/61/487488561.db2.gz SBOOVRVGCSOAMA-VHSXEESVSA-N 1 0 222.292 0.061 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@H](C)CO)C1=O ZINC000685001449 487488909 /nfs/dbraw/zinc/48/89/09/487488909.db2.gz HZKHXWHSPZMVKA-QWRGUYRKSA-N 1 0 226.320 0.334 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)CO)C1=O ZINC000685001447 487489060 /nfs/dbraw/zinc/48/90/60/487489060.db2.gz HZKHXWHSPZMVKA-GHMZBOCLSA-N 1 0 226.320 0.334 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCCOC[C@H]2C)C1=O ZINC000685003686 487490509 /nfs/dbraw/zinc/49/05/09/487490509.db2.gz KPYQVCQMPAYYAA-VXGBXAGGSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCCOC[C@@H]2C)C1=O ZINC000685003684 487490671 /nfs/dbraw/zinc/49/06/71/487490671.db2.gz KPYQVCQMPAYYAA-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)[C@H](CO)C(=C)C)C1=O ZINC000685004385 487490980 /nfs/dbraw/zinc/49/09/80/487490980.db2.gz XOZFDNSIVDGDJG-VXGBXAGGSA-N 1 0 238.331 0.642 20 30 BCEDRO COCC#CCN1CCC[C@@H]1C(=O)NC1CC1 ZINC000677817029 487505982 /nfs/dbraw/zinc/50/59/82/487505982.db2.gz FQBAPGKKQMQNHC-GFCCVEGCSA-N 1 0 236.315 0.379 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000668235645 487512955 /nfs/dbraw/zinc/51/29/55/487512955.db2.gz PXXBFPMWSYIYRG-NSHDSACASA-N 1 0 226.320 0.334 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H](O)C1CC1 ZINC000677893151 488150792 /nfs/dbraw/zinc/15/07/92/488150792.db2.gz UTIHAJVXEQEOQV-MWLCHTKSSA-N 1 0 226.320 0.380 20 30 BCEDRO C=C(C)COCCNC(=O)NCCC[NH+](C)C ZINC000675574450 487750190 /nfs/dbraw/zinc/75/01/90/487750190.db2.gz SPCPTFVODCHKAT-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000516875353 488109974 /nfs/dbraw/zinc/10/99/74/488109974.db2.gz MRBWPSNGCFMXHY-WCQYABFASA-N 1 0 238.331 0.668 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000516875354 488110008 /nfs/dbraw/zinc/11/00/08/488110008.db2.gz MRBWPSNGCFMXHY-YPMHNXCESA-N 1 0 238.331 0.668 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000677820045 488136083 /nfs/dbraw/zinc/13/60/83/488136083.db2.gz VOAQILTVOXULLV-STQMWFEESA-N 1 0 223.316 0.995 20 30 BCEDRO C=C[C@H](O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000669268342 488142015 /nfs/dbraw/zinc/14/20/15/488142015.db2.gz PQKJVJMDTIPQDQ-YATPEIPISA-N 1 0 238.331 0.665 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H]1C(C)(C)O ZINC000677895678 488152167 /nfs/dbraw/zinc/15/21/67/488152167.db2.gz BZANDNQOEXXKKC-LLVKDONJSA-N 1 0 211.305 0.872 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000667997775 488179360 /nfs/dbraw/zinc/17/93/60/488179360.db2.gz AKEWERYJGKACHO-LLVKDONJSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC12CCOCC2 ZINC000683525905 488187113 /nfs/dbraw/zinc/18/71/13/488187113.db2.gz LGFNOMRITVUSNC-UHFFFAOYSA-N 1 0 224.304 0.544 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@H](C)[NH3+] ZINC000669545471 488200137 /nfs/dbraw/zinc/20/01/37/488200137.db2.gz TYZPPTGDGXKIFZ-VIFPVBQESA-N 1 0 215.297 0.226 20 30 BCEDRO C=CCOCCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000669555422 488216690 /nfs/dbraw/zinc/21/66/90/488216690.db2.gz XEOHYGGIBWQDGA-NSHDSACASA-N 1 0 241.335 0.488 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000684628501 488335747 /nfs/dbraw/zinc/33/57/47/488335747.db2.gz MAOCOMMYSVOBMA-CMPLNLGQSA-N 1 0 208.305 0.986 20 30 BCEDRO C=CCCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000673532670 488294830 /nfs/dbraw/zinc/29/48/30/488294830.db2.gz GQIJXUTXOZYSPF-LLVKDONJSA-N 1 0 226.320 0.526 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000679585557 488359767 /nfs/dbraw/zinc/35/97/67/488359767.db2.gz ARLBGICXRUULFQ-JTQLQIEISA-N 1 0 212.293 0.257 20 30 BCEDRO N#CC[C@@]1(O)CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000592151544 490103954 /nfs/dbraw/zinc/10/39/54/490103954.db2.gz NGAHIPAROQAKPO-GFCCVEGCSA-N 1 0 232.287 0.514 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC=CO1 ZINC000491786633 490118449 /nfs/dbraw/zinc/11/84/49/490118449.db2.gz UOODWMJCSMZDCI-LBPRGKRZSA-N 1 0 236.315 0.750 20 30 BCEDRO C#CCN(C(=O)N[C@@H](C[NH3+])C1CC1)C1CC1 ZINC000491786500 490118541 /nfs/dbraw/zinc/11/85/41/490118541.db2.gz UWVFLMRAUIBDOI-NSHDSACASA-N 1 0 221.304 0.531 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)C[C@H](C)C(=O)OC ZINC000611140412 490197388 /nfs/dbraw/zinc/19/73/88/490197388.db2.gz FZIPQBDITRVCOU-UWVGGRQHSA-N 1 0 215.293 0.664 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](COC)C(C)C ZINC000083399492 490229679 /nfs/dbraw/zinc/22/96/79/490229679.db2.gz PQSHXTBIQIEMTK-MNOVXSKESA-N 1 0 228.336 0.938 20 30 BCEDRO C[C@@H](CO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600738356 490360456 /nfs/dbraw/zinc/36/04/56/490360456.db2.gz JXLXQBOWXNAPHL-ZJUUUORDSA-N 1 0 212.293 0.259 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296619796 490378945 /nfs/dbraw/zinc/37/89/45/490378945.db2.gz HBYHTOHJLQYXSK-JTQLQIEISA-N 1 0 242.319 0.437 20 30 BCEDRO C=CCCC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000126508749 490499109 /nfs/dbraw/zinc/49/91/09/490499109.db2.gz FSDNQMHATPUKJF-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCCn1cc(CN2CC[C@@H](C[NH2+]C)C2)nn1 ZINC000655938000 491098766 /nfs/dbraw/zinc/09/87/66/491098766.db2.gz IPJXRZDUBFBKAW-LBPRGKRZSA-N 1 0 249.362 0.896 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@@H]2CCC[N@H+]2CCC)C1 ZINC000890521603 582463566 /nfs/dbraw/zinc/46/35/66/582463566.db2.gz LRYSMEPXBFANBS-NSHDSACASA-N 1 0 236.315 0.067 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](O)[C@H](F)C1 ZINC000890679730 582501423 /nfs/dbraw/zinc/50/14/23/582501423.db2.gz FICIZJIZWBRGNX-MNOVXSKESA-N 1 0 244.310 0.426 20 30 BCEDRO C[C@H](CN1CCOCC1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442723038 534067827 /nfs/dbraw/zinc/06/78/27/534067827.db2.gz WOBCZPVINRZXPZ-UPJWGTAASA-N 1 0 237.347 0.989 20 30 BCEDRO N#CCCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891769494 582717977 /nfs/dbraw/zinc/71/79/77/582717977.db2.gz PIPGJNDNAHVZEI-IUCAKERBSA-N 1 0 208.265 0.046 20 30 BCEDRO CCN(C(=O)NCC1(C#N)CC1)[C@@H]1CC[NH2+]C1 ZINC000891876059 582734410 /nfs/dbraw/zinc/73/44/10/582734410.db2.gz OMVMGXRHCRTRRG-SNVBAGLBSA-N 1 0 236.319 0.684 20 30 BCEDRO C=C(CC)CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891941905 582741502 /nfs/dbraw/zinc/74/15/02/582741502.db2.gz GSHHIUXXLTVEQI-UWVGGRQHSA-N 1 0 209.293 0.708 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262479841 534315970 /nfs/dbraw/zinc/31/59/70/534315970.db2.gz CUYLGQRBVJNMMZ-DCAQKATOSA-N 1 0 223.320 0.905 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cnc(C)nc1 ZINC000309247660 534316886 /nfs/dbraw/zinc/31/68/86/534316886.db2.gz ZNVBLQPEWMXQGC-NSHDSACASA-N 1 0 207.277 0.812 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cn(C(C)C)nn1 ZINC000290063896 534317408 /nfs/dbraw/zinc/31/74/08/534317408.db2.gz HMSPEETUIAMQNK-JTQLQIEISA-N 1 0 224.308 0.886 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000261701605 536304850 /nfs/dbraw/zinc/30/48/50/536304850.db2.gz UATQCZQUFHUHHP-BBBLOLIVSA-N 1 0 223.320 0.868 20 30 BCEDRO CNC(=[NH2+])NCc1cccc(C(=O)NC2CC2)c1 ZINC000264125065 536304855 /nfs/dbraw/zinc/30/48/55/536304855.db2.gz WAYSCBMESJBRDU-UHFFFAOYSA-N 1 0 246.314 0.613 20 30 BCEDRO CNC(=[NH2+])NCc1ccnc(OC(F)F)c1 ZINC000284201485 536304862 /nfs/dbraw/zinc/30/48/62/536304862.db2.gz YXZIMHYIGGILQZ-UHFFFAOYSA-N 1 0 230.218 0.717 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(OC(F)F)cn1 ZINC000262745338 536304906 /nfs/dbraw/zinc/30/49/06/536304906.db2.gz ADXITUJJKGWPNI-UHFFFAOYSA-N 1 0 230.218 0.717 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(OC)c(O)c1 ZINC000264103270 536304949 /nfs/dbraw/zinc/30/49/49/536304949.db2.gz OQXXUXBITNHIMA-UHFFFAOYSA-N 1 0 209.249 0.435 20 30 BCEDRO C=C(CC)C[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000358511410 534371164 /nfs/dbraw/zinc/37/11/64/534371164.db2.gz RMEVOVQVBBCDLH-ZDUSSCGKSA-N 1 0 242.363 0.578 20 30 BCEDRO C=C(CC)C[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361391614 534377668 /nfs/dbraw/zinc/37/76/68/534377668.db2.gz PUABFKZWWSYIOA-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C[N@@H+](C)C(C)C ZINC000342156509 534386297 /nfs/dbraw/zinc/38/62/97/534386297.db2.gz GQBOWBOOGXAHSG-NSHDSACASA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000335885541 534388696 /nfs/dbraw/zinc/38/86/96/534388696.db2.gz YQRKDFZBFONVDS-LBPRGKRZSA-N 1 0 237.303 0.627 20 30 BCEDRO C=C(CC)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000334148048 534393637 /nfs/dbraw/zinc/39/36/37/534393637.db2.gz FQGPMJUJHXVCQR-LBPRGKRZSA-N 1 0 210.321 0.969 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000358494883 534395135 /nfs/dbraw/zinc/39/51/35/534395135.db2.gz GJSFFPFZACMAEL-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C=C(CC)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000085058788 534417411 /nfs/dbraw/zinc/41/74/11/534417411.db2.gz HMAZLCYNVPFYJI-VIFPVBQESA-N 1 0 205.323 0.975 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccccc1 ZINC000254820994 519350270 /nfs/dbraw/zinc/35/02/70/519350270.db2.gz PDXXTZJRUYDIFK-UHFFFAOYSA-N 1 0 202.261 0.959 20 30 BCEDRO C=C(Cl)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371823422 534437018 /nfs/dbraw/zinc/43/70/18/534437018.db2.gz QTYXGVMIAPSVAA-SNVBAGLBSA-N 1 0 216.712 0.755 20 30 BCEDRO C=CCn1cc(CNC2=[NH+]CCCN2C)nn1 ZINC000263007469 534452365 /nfs/dbraw/zinc/45/23/65/534452365.db2.gz AVOUIRMKVRADSW-UHFFFAOYSA-N 1 0 234.307 0.245 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000362380325 534486655 /nfs/dbraw/zinc/48/66/55/534486655.db2.gz PONMOHIQZQRZOZ-GHMZBOCLSA-N 1 0 240.351 0.106 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000290433673 534531357 /nfs/dbraw/zinc/53/13/57/534531357.db2.gz AOOGEVLXLALZRO-UWVGGRQHSA-N 1 0 228.336 0.816 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@@H](CCC)[NH+](C)C ZINC000356855576 534528885 /nfs/dbraw/zinc/52/88/85/534528885.db2.gz NEDLCAGCJZUEIN-VHSXEESVSA-N 1 0 214.309 0.380 20 30 BCEDRO C[NH+]=C(NC[C@H](OC)C(F)(F)F)NC1CC1 ZINC000849008397 582822790 /nfs/dbraw/zinc/82/27/90/582822790.db2.gz IICIHUUYGRSBHP-ZETCQYMHSA-N 1 0 239.241 0.891 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH2+]C[C@H]1C ZINC000333786344 534601187 /nfs/dbraw/zinc/60/11/87/534601187.db2.gz LSEHJFJNKRBAEK-MXWKQRLJSA-N 1 0 239.319 0.333 20 30 BCEDRO CCNC(NC[C@]1(C)CCC(=O)N1)=[NH+]CC ZINC000849039226 582838242 /nfs/dbraw/zinc/83/82/42/582838242.db2.gz OIZBDRDZIAQMAE-NSHDSACASA-N 1 0 226.324 0.230 20 30 BCEDRO C[NH+]=C(NCc1ccco1)N[C@@H](CO)CCF ZINC000849048569 582841669 /nfs/dbraw/zinc/84/16/69/582841669.db2.gz JMWQXCVTPBRZDO-SECBINFHSA-N 1 0 243.282 0.665 20 30 BCEDRO CC(C)(C)NC(=[NH2+])N[C@@H]1CCn2ccnc2C1 ZINC000262485181 534664010 /nfs/dbraw/zinc/66/40/10/534664010.db2.gz UBLPYKCNYXQSCP-SECBINFHSA-N 1 0 235.335 0.901 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCCc1cn[nH]c1 ZINC000290706374 534661640 /nfs/dbraw/zinc/66/16/40/534661640.db2.gz STYJHIRWASMVJQ-UHFFFAOYSA-N 1 0 209.297 0.655 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCCNc1cnccn1 ZINC000261982184 534662290 /nfs/dbraw/zinc/66/22/90/534662290.db2.gz ILQWHHILCUTQPF-UHFFFAOYSA-N 1 0 236.323 0.591 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCCc1cnccn1 ZINC000263136932 534662472 /nfs/dbraw/zinc/66/24/72/534662472.db2.gz ILSYLTQGLXWOQB-UHFFFAOYSA-N 1 0 221.308 0.722 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCCC1(C)OCCO1 ZINC000262365296 534662698 /nfs/dbraw/zinc/66/26/98/534662698.db2.gz KCBRFERFLAPDJD-UHFFFAOYSA-N 1 0 229.324 0.842 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCCN1CC=CCC1 ZINC000262489298 534662755 /nfs/dbraw/zinc/66/27/55/534662755.db2.gz UIOMQXNGHPLEGB-UHFFFAOYSA-N 1 0 224.352 0.951 20 30 BCEDRO C=C[C@H](CO)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356854292 534677136 /nfs/dbraw/zinc/67/71/36/534677136.db2.gz JUQMKHGCBJCLLK-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000356837448 534680980 /nfs/dbraw/zinc/68/09/80/534680980.db2.gz OGZIREFGYNJZSE-GMTAPVOTSA-N 1 0 226.320 0.380 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000353562663 534682859 /nfs/dbraw/zinc/68/28/59/534682859.db2.gz BMAMLMKMFSBWFJ-MXWKQRLJSA-N 1 0 247.360 0.479 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000353562670 534685158 /nfs/dbraw/zinc/68/51/58/534685158.db2.gz BMAMLMKMFSBWFJ-VWYCJHECSA-N 1 0 247.360 0.479 20 30 BCEDRO C=C[C@H]1CCCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000352421634 534694337 /nfs/dbraw/zinc/69/43/37/534694337.db2.gz MTJQQTILCAOTTA-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCCC[N@@H+](C)CCC(=O)NCC(=O)OC ZINC000076733731 534706321 /nfs/dbraw/zinc/70/63/21/534706321.db2.gz FGEQYKOKVUNCSV-UHFFFAOYSA-N 1 0 242.319 0.564 20 30 BCEDRO C=CCCC[N@@H+](C)CCNS(=O)(=O)CC ZINC000121033856 534707032 /nfs/dbraw/zinc/70/70/32/534707032.db2.gz DAOWPKSCMUGPPJ-UHFFFAOYSA-N 1 0 234.365 0.824 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000335612824 534713791 /nfs/dbraw/zinc/71/37/91/534713791.db2.gz JLRGSSXXDHROAX-VHSXEESVSA-N 1 0 209.293 0.307 20 30 BCEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348208509 534755605 /nfs/dbraw/zinc/75/56/05/534755605.db2.gz IIATXMOPIUWOGE-CMPLNLGQSA-N 1 0 226.320 0.653 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000359880576 534800142 /nfs/dbraw/zinc/80/01/42/534800142.db2.gz VTYYQGLNYIVDHW-OLZOCXBDSA-N 1 0 243.347 0.691 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H](C(=O)NC)C(C)C ZINC000183672314 534806028 /nfs/dbraw/zinc/80/60/28/534806028.db2.gz PMXWERKYFXJGKP-QWRGUYRKSA-N 1 0 228.336 0.674 20 30 BCEDRO C=CC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC(C)C ZINC000121501114 534816958 /nfs/dbraw/zinc/81/69/58/534816958.db2.gz VZQKGHTVELPUCE-SECBINFHSA-N 1 0 227.308 0.727 20 30 BCEDRO C=CCN(CC=C)C(=O)CNCC1([NH3+])CCC1 ZINC000342167816 534822795 /nfs/dbraw/zinc/82/27/95/534822795.db2.gz PKACQOKJMLLRBI-UHFFFAOYSA-N 1 0 237.347 0.658 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](O)c1ccc(OC)cc1 ZINC000264103074 534843482 /nfs/dbraw/zinc/84/34/82/534843482.db2.gz OOBZNULFRQEPCR-LBPRGKRZSA-N 1 0 249.314 0.819 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])N1CCCCCC1 ZINC000262076323 534856018 /nfs/dbraw/zinc/85/60/18/534856018.db2.gz DNYFXVZTUWCDNW-UHFFFAOYSA-N 1 0 238.335 0.479 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCO1 ZINC000183983358 534859482 /nfs/dbraw/zinc/85/94/82/534859482.db2.gz QKEPUIFLONXULE-NXEZZACHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCC[C@H]1C ZINC000333972598 534861792 /nfs/dbraw/zinc/86/17/92/534861792.db2.gz KTFPMVHXHFXWOE-ZJUUUORDSA-N 1 0 239.319 0.776 20 30 BCEDRO C=CCOCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000356405728 534867151 /nfs/dbraw/zinc/86/71/51/534867151.db2.gz LLIPPDCBBKBTBM-NWDGAFQWSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CCOCC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000354571807 534868257 /nfs/dbraw/zinc/86/82/57/534868257.db2.gz GEIUFZNYSVGBAP-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO C=CCOCC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000354357127 534868498 /nfs/dbraw/zinc/86/84/98/534868498.db2.gz ISNSEDLMZMFZQJ-UHFFFAOYSA-N 1 0 238.331 0.886 20 30 BCEDRO C=CCOCC[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000339148030 534876926 /nfs/dbraw/zinc/87/69/26/534876926.db2.gz KGDAAPLPNZRCQP-NWDGAFQWSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCOCC[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000339113569 534877311 /nfs/dbraw/zinc/87/73/11/534877311.db2.gz GEOFPIOSGINFQK-QWRGUYRKSA-N 1 0 217.309 0.253 20 30 BCEDRO C=CCOCC[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000339113570 534877669 /nfs/dbraw/zinc/87/76/69/534877669.db2.gz GEOFPIOSGINFQK-WDEREUQCSA-N 1 0 217.309 0.253 20 30 BCEDRO C=CCOCC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000338959300 534877950 /nfs/dbraw/zinc/87/79/50/534877950.db2.gz FCAQUOFCPHHDKW-LLVKDONJSA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCNC(=O)CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000488078426 526537072 /nfs/dbraw/zinc/53/70/72/526537072.db2.gz TXVRVNCBKQBCSJ-GFCCVEGCSA-N 1 0 239.363 0.561 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@]2(C#N)CC2(C)C)C1 ZINC000336103314 536448550 /nfs/dbraw/zinc/44/85/50/536448550.db2.gz ZOQSCCHLYWFSDT-SKDRFNHKSA-N 1 0 221.304 0.747 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCNC(=O)OC ZINC000496311558 526608665 /nfs/dbraw/zinc/60/86/65/526608665.db2.gz PGXATRLFDMYYNS-UHFFFAOYSA-N 1 0 214.269 0.032 20 30 BCEDRO C#CCCC[N@@H+]1CCN2C(=O)OCC[C@H]2C1 ZINC000494140614 526708793 /nfs/dbraw/zinc/70/87/93/526708793.db2.gz DRUKLRSNVASUSA-NSHDSACASA-N 1 0 222.288 0.926 20 30 BCEDRO C#CCN(C(=O)N[C@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000491697859 526774232 /nfs/dbraw/zinc/77/42/32/526774232.db2.gz ARYVTOXVDAFNFG-JQWIXIFHSA-N 1 0 235.331 0.792 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=S)NCC(=C)C ZINC000491268208 526824951 /nfs/dbraw/zinc/82/49/51/526824951.db2.gz YJWKYMKJFXDNDD-UHFFFAOYSA-N 1 0 239.388 0.982 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000491773118 526829631 /nfs/dbraw/zinc/82/96/31/526829631.db2.gz ABPKNWCXHGGURQ-FRRDWIJNSA-N 1 0 240.347 0.022 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000491773121 526829921 /nfs/dbraw/zinc/82/99/21/526829921.db2.gz ABPKNWCXHGGURQ-XQQFMLRXSA-N 1 0 240.347 0.022 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000491304410 526888586 /nfs/dbraw/zinc/88/85/86/526888586.db2.gz FWJLINDCMRWTHN-JTQLQIEISA-N 1 0 209.293 0.388 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000491067281 526974219 /nfs/dbraw/zinc/97/42/19/526974219.db2.gz HLEYMELXIXCMSX-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(CC#N)CC1 ZINC000491118002 526976013 /nfs/dbraw/zinc/97/60/13/526976013.db2.gz BEMQKCTVWDARQN-UHFFFAOYSA-N 1 0 233.315 0.752 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](CO)[C@H]1CC ZINC000491661342 526978583 /nfs/dbraw/zinc/97/85/83/526978583.db2.gz KPPXKUOMBBUTRL-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000491067941 526980204 /nfs/dbraw/zinc/98/02/04/526980204.db2.gz LSTWCQQKKOTDLU-ZSBIGDGJSA-N 1 0 238.331 0.360 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@H](C)F ZINC000491484564 526981563 /nfs/dbraw/zinc/98/15/63/526981563.db2.gz JJTCSPHAAGAJOW-VIFPVBQESA-N 1 0 200.257 0.464 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)CC#N ZINC000491654932 526981646 /nfs/dbraw/zinc/98/16/46/526981646.db2.gz BGQOHRMPWKRMNS-UHFFFAOYSA-N 1 0 221.304 0.655 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[C@@H](O)C1 ZINC000491646213 526982497 /nfs/dbraw/zinc/98/24/97/526982497.db2.gz RUEKHNBKFPLHSM-VXGBXAGGSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CC=CCC1 ZINC000491420315 526987670 /nfs/dbraw/zinc/98/76/70/526987670.db2.gz WZCRFUGXGTTZTE-NSHDSACASA-N 1 0 206.289 0.824 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000491656301 527007511 /nfs/dbraw/zinc/00/75/11/527007511.db2.gz BDYUEJCPFQVCLN-LBPRGKRZSA-N 1 0 221.304 0.405 20 30 BCEDRO C#CCNC(=O)NCC1([NH3+])CCCCC1 ZINC000491265517 527010765 /nfs/dbraw/zinc/01/07/65/527010765.db2.gz LDKYFIJZFBJMEK-UHFFFAOYSA-N 1 0 209.293 0.580 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000305296649 527024016 /nfs/dbraw/zinc/02/40/16/527024016.db2.gz GOJROSZOWYKXKM-TUAOUCFPSA-N 1 0 238.331 0.217 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000309072174 527059860 /nfs/dbraw/zinc/05/98/60/527059860.db2.gz FIMMXKQIXDFCGP-ZJUUUORDSA-N 1 0 230.333 0.070 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCCC[NH2+]C1CC1 ZINC000491745722 527202755 /nfs/dbraw/zinc/20/27/55/527202755.db2.gz NPGYRRZYHZZJOU-SNVBAGLBSA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@@H](CC)[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000491758747 527244884 /nfs/dbraw/zinc/24/48/84/527244884.db2.gz JPRNWGKZGOGWLX-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@@H](C)[NH2+]CC)C(C)C ZINC000491642334 527277979 /nfs/dbraw/zinc/27/79/79/527277979.db2.gz WRRCXDCQBZNWLG-GHMZBOCLSA-N 1 0 225.336 0.941 20 30 BCEDRO C#C[C@H](CC)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000308965658 527362627 /nfs/dbraw/zinc/36/26/27/527362627.db2.gz VLGZZERVQUGYHK-VXGBXAGGSA-N 1 0 210.321 0.709 20 30 BCEDRO C#C[C@H](CC)[NH2+][C@H]1CCN(CCOC)C1 ZINC000308965655 527364201 /nfs/dbraw/zinc/36/42/01/527364201.db2.gz VLGZZERVQUGYHK-NEPJUHHUSA-N 1 0 210.321 0.709 20 30 BCEDRO C#C[C@H](NC(=O)NCC1([NH3+])CCC1)C(C)C ZINC000491820527 527390807 /nfs/dbraw/zinc/39/08/07/527390807.db2.gz RVZLVFQOZZCBEJ-JTQLQIEISA-N 1 0 223.320 0.825 20 30 BCEDRO C#C[C@H]1COCCN1CCC[NH+]1CCCC1 ZINC000491789735 527427988 /nfs/dbraw/zinc/42/79/88/527427988.db2.gz VMTNGHQTVXJMSL-ZDUSSCGKSA-N 1 0 222.332 0.806 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)/C=C/C[NH+](C)C ZINC000493325123 527499310 /nfs/dbraw/zinc/49/93/10/527499310.db2.gz QYQPUDTUZFYTIZ-PVTPVBHGSA-N 1 0 224.304 0.564 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)/C=C\C[NH+](C)C ZINC000493325119 527500506 /nfs/dbraw/zinc/50/05/06/527500506.db2.gz QYQPUDTUZFYTIZ-MXFLAHGMSA-N 1 0 224.304 0.564 20 30 BCEDRO CCN(CC#N)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000495102495 527884009 /nfs/dbraw/zinc/88/40/09/527884009.db2.gz RLBCTZVVYZWTKH-LLVKDONJSA-N 1 0 221.304 0.985 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1c[nH]nc1C ZINC000264132749 536520720 /nfs/dbraw/zinc/52/07/20/536520720.db2.gz YLHXEFPOKQJZRP-SSDOTTSWSA-N 1 0 225.296 0.157 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccc(C#N)cc1 ZINC000264104291 536521003 /nfs/dbraw/zinc/52/10/03/536521003.db2.gz PAEDTMUPRMICKE-SNVBAGLBSA-N 1 0 246.314 0.997 20 30 BCEDRO CC[C@@H](C#N)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487083425 529268442 /nfs/dbraw/zinc/26/84/42/529268442.db2.gz KUABPJXBYDNIDO-KXUCPTDWSA-N 1 0 209.293 0.602 20 30 BCEDRO CC[C@@H](C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487083423 529268909 /nfs/dbraw/zinc/26/89/09/529268909.db2.gz KUABPJXBYDNIDO-GUBZILKMSA-N 1 0 209.293 0.602 20 30 BCEDRO CC[C@](C)(C#N)NC(=O)/C=C/C[NH+](C)C ZINC000491884732 529352973 /nfs/dbraw/zinc/35/29/73/529352973.db2.gz NCXRXPKVNJYODH-XUIVZRPNSA-N 1 0 209.293 0.913 20 30 BCEDRO CC(C)(C#N)CCCC[NH+](CCO)CCO ZINC000232527000 534980803 /nfs/dbraw/zinc/98/08/03/534980803.db2.gz BFKDMTGZJOMHHD-UHFFFAOYSA-N 1 0 228.336 0.993 20 30 BCEDRO CC(C)(C#N)CCC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000248397466 534985087 /nfs/dbraw/zinc/98/50/87/534985087.db2.gz RTRCQHMDPMWGGI-WDEREUQCSA-N 1 0 226.320 0.744 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000260082451 535127290 /nfs/dbraw/zinc/12/72/90/535127290.db2.gz QGILLAHVDYYPRE-ZJUUUORDSA-N 1 0 209.293 0.745 20 30 BCEDRO CC[NH+]=C(NCCn1ccnc1)N[C@H]1C[C@@H]1C ZINC000262788022 535261697 /nfs/dbraw/zinc/26/16/97/535261697.db2.gz JYVVDMPYZKMNFD-QWRGUYRKSA-N 1 0 235.335 0.847 20 30 BCEDRO CC[NH+]=C(NCCn1ccnc1)N[C@@H]1C[C@H]1C ZINC000262788018 535262074 /nfs/dbraw/zinc/26/20/74/535262074.db2.gz JYVVDMPYZKMNFD-GHMZBOCLSA-N 1 0 235.335 0.847 20 30 BCEDRO CC[NH+]=C(NCCn1cncn1)N[C@H]1C[C@H]1C ZINC000262696581 535262932 /nfs/dbraw/zinc/26/29/32/535262932.db2.gz DYPWVEVDVANQAS-ZJUUUORDSA-N 1 0 236.323 0.242 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCc1cnn(C)c1 ZINC000264084158 535385000 /nfs/dbraw/zinc/38/50/00/535385000.db2.gz INSSVBIFVRCKRI-UHFFFAOYSA-N 1 0 223.324 0.871 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCCn1ccnc1 ZINC000264153370 535388553 /nfs/dbraw/zinc/38/85/53/535388553.db2.gz ZXOWFYYWHLMVFQ-UHFFFAOYSA-N 1 0 223.324 0.930 20 30 BCEDRO CC[C@@H](C(=O)N(C)C[C@H](C)C#N)[NH+](C)C ZINC000338200886 535397551 /nfs/dbraw/zinc/39/75/51/535397551.db2.gz DTOBXJJWCSHYQV-ZJUUUORDSA-N 1 0 211.309 0.945 20 30 BCEDRO CC[C@@H](C(=O)N(CCC#N)CCC#N)[NH+](C)C ZINC000298890393 535399614 /nfs/dbraw/zinc/39/96/14/535399614.db2.gz LZLXJIWKPVAXGS-NSHDSACASA-N 1 0 236.319 0.983 20 30 BCEDRO CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336770275 535406266 /nfs/dbraw/zinc/40/62/66/535406266.db2.gz VNXWQDJXABQBLJ-LPEHRKFASA-N 1 0 209.293 0.793 20 30 BCEDRO CCNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000261724378 535426058 /nfs/dbraw/zinc/42/60/58/535426058.db2.gz XGYFKTLVUWIGRQ-OPRDCNLKSA-N 1 0 223.320 0.868 20 30 BCEDRO CC[NH+](CC)CC(=O)N(CCC#N)CCC#N ZINC000267905373 535488667 /nfs/dbraw/zinc/48/86/67/535488667.db2.gz XOLHZCZNEVBHDM-UHFFFAOYSA-N 1 0 236.319 0.984 20 30 BCEDRO CCCc1nc(C)c(CNC(=[NH2+])NC)o1 ZINC000262720849 535497180 /nfs/dbraw/zinc/49/71/80/535497180.db2.gz VJDFYXMTUYVYFH-UHFFFAOYSA-N 1 0 210.281 0.970 20 30 BCEDRO CC[NH+](CC)CCNC(=O)C(C)(C)C#N ZINC000044351070 535528733 /nfs/dbraw/zinc/52/87/33/535528733.db2.gz NYCSCUYYYQNVKC-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO CC[NH+]1CCN(CCC(=O)N[C@@H](C)C#N)CC1 ZINC000340434912 535681769 /nfs/dbraw/zinc/68/17/69/535681769.db2.gz NUMCFGFLQLBFNN-NSHDSACASA-N 1 0 238.335 0.042 20 30 BCEDRO CC[NH+]1CCN(CCC(=O)N[C@H](C)C#N)CC1 ZINC000340434911 535683761 /nfs/dbraw/zinc/68/37/61/535683761.db2.gz NUMCFGFLQLBFNN-LLVKDONJSA-N 1 0 238.335 0.042 20 30 BCEDRO C[NH+](C)CCNC(=O)Cc1c(F)cccc1C#N ZINC000349030080 535883010 /nfs/dbraw/zinc/88/30/10/535883010.db2.gz DJJBDKYMDBIEJD-UHFFFAOYSA-N 1 0 249.289 0.918 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(CCOCCC#N)C1 ZINC000338995826 535964995 /nfs/dbraw/zinc/96/49/95/535964995.db2.gz IAFCMLXCHCUHKU-GFCCVEGCSA-N 1 0 225.336 0.800 20 30 BCEDRO CC[C@@](C)(O)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262424676 536001836 /nfs/dbraw/zinc/00/18/36/536001836.db2.gz CEQQJBPLXYGWSY-MWLCHTKSSA-N 1 0 229.324 0.183 20 30 BCEDRO CC[C@@](C)(O)CNC(=[NH2+])NCC1CCC1 ZINC000170912746 536002131 /nfs/dbraw/zinc/00/21/31/536002131.db2.gz MAPFBAUGIMSOHX-LLVKDONJSA-N 1 0 213.325 0.852 20 30 BCEDRO C[NH+](C)Cc1cccc(C(=O)NCC#CCO)c1 ZINC000339193021 536024621 /nfs/dbraw/zinc/02/46/21/536024621.db2.gz OCXVWGOFBFLTQO-UHFFFAOYSA-N 1 0 246.310 0.474 20 30 BCEDRO CC[C@H](C)NC(NCc1nnc(C)n1C)=[NH+]C ZINC000261973773 536145751 /nfs/dbraw/zinc/14/57/51/536145751.db2.gz NGQDBCXATQDDOM-QMMMGPOBSA-N 1 0 238.339 0.587 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000262010611 536145991 /nfs/dbraw/zinc/14/59/91/536145991.db2.gz WMNFLHIDRQHWKG-VIFPVBQESA-N 1 0 249.318 0.723 20 30 BCEDRO CN(CCC#N)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000370612593 536297418 /nfs/dbraw/zinc/29/74/18/536297418.db2.gz OFDYJSJAIAZMQH-LLVKDONJSA-N 1 0 221.304 0.700 20 30 BCEDRO CN(CCC#N)C1CC[NH+](CCO)CC1 ZINC000357722989 536299180 /nfs/dbraw/zinc/29/91/80/536299180.db2.gz SWTUAOXEVYDDPW-UHFFFAOYSA-N 1 0 211.309 0.289 20 30 BCEDRO C[NH+]=C(NCc1snnc1C)NC1CC1 ZINC000262508652 536304209 /nfs/dbraw/zinc/30/42/09/536304209.db2.gz ATQNYVFCYGPMKU-UHFFFAOYSA-N 1 0 225.321 0.674 20 30 BCEDRO C[NH+]=C(NCc1cc(C)nn1C)NC1CC1 ZINC000261875187 536304384 /nfs/dbraw/zinc/30/43/84/536304384.db2.gz PQZFJVZMAZALQE-UHFFFAOYSA-N 1 0 221.308 0.556 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(OC)c([N+](=O)[O-])c1 ZINC000264074744 536305034 /nfs/dbraw/zinc/30/50/34/536305034.db2.gz FJMSWUOHBTVBNM-UHFFFAOYSA-N 1 0 238.247 0.638 20 30 BCEDRO CNC(=[NH2+])NCc1ncnn1C(C)(C)C ZINC000261841519 536305074 /nfs/dbraw/zinc/30/50/74/536305074.db2.gz PFWJJRPBXISJHJ-UHFFFAOYSA-N 1 0 210.285 0.067 20 30 BCEDRO CN1C(=O)CC[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)C1=O ZINC000333607314 536310074 /nfs/dbraw/zinc/31/00/74/536310074.db2.gz RICGLPVYFPFWCE-AXFHLTTASA-N 1 0 249.314 0.806 20 30 BCEDRO CN1CCC[NH+]=C1NCC1(CC#N)CC1 ZINC000263088101 536361403 /nfs/dbraw/zinc/36/14/03/536361403.db2.gz IPDYRDNTKZPOPR-UHFFFAOYSA-N 1 0 206.293 0.961 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(C#N)CC1 ZINC000259973274 536366820 /nfs/dbraw/zinc/36/68/20/536366820.db2.gz MGQSTPAYVVMQLM-LLVKDONJSA-N 1 0 221.304 0.843 20 30 BCEDRO C[N@H+](CCOCCO)[C@@H]1CC[C@@H](C#N)C1 ZINC000339155317 536396573 /nfs/dbraw/zinc/39/65/73/536396573.db2.gz BRAGEZLWRMBMHH-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO COCCNC(=[NH2+])NCc1sc(C)nc1C ZINC000262700727 536852493 /nfs/dbraw/zinc/85/24/93/536852493.db2.gz YSLXNENDMPJABC-UHFFFAOYSA-N 1 0 242.348 0.811 20 30 BCEDRO COCCNC(=[NH2+])N[C@H]1C[C@](C)(OC)C1(C)C ZINC000262379866 536853262 /nfs/dbraw/zinc/85/32/62/536853262.db2.gz GSMXTPMYMJQABS-CABZTGNLSA-N 1 0 243.351 0.741 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000263190210 536853479 /nfs/dbraw/zinc/85/34/79/536853479.db2.gz YDNNMLXMIXYFEK-IVZWLZJFSA-N 1 0 243.351 0.597 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000155356800 566314837 /nfs/dbraw/zinc/31/48/37/566314837.db2.gz LDDGVWWXEOQOFQ-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)COC(C)=O ZINC000893474298 583150897 /nfs/dbraw/zinc/15/08/97/583150897.db2.gz AVFLUGKCMZYNKE-SECBINFHSA-N 1 0 201.266 0.730 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)COC(C)=O ZINC000893566678 583164998 /nfs/dbraw/zinc/16/49/98/583164998.db2.gz FTBAYMGLXDHRAD-WPRPVWTQSA-N 1 0 201.266 0.465 20 30 BCEDRO C[NH+](C)CCNC(=S)N1CC[C@@](C)(C#N)C1 ZINC000853039361 588717302 /nfs/dbraw/zinc/71/73/02/588717302.db2.gz FQSNDPUAEDRQRW-NSHDSACASA-N 1 0 240.376 0.658 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)COC)C1CCOCC1 ZINC000853116569 588721581 /nfs/dbraw/zinc/72/15/81/588721581.db2.gz XSKDMCYCOZUZKE-NWDGAFQWSA-N 1 0 227.304 0.012 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccnn1CC1CC1 ZINC000853286657 588730689 /nfs/dbraw/zinc/73/06/89/588730689.db2.gz CWGHRPYWMKPIQU-UHFFFAOYSA-N 1 0 206.253 0.110 20 30 BCEDRO Cn1ncc(C2CCC2)c1C=NNC(N)=[NH2+] ZINC000853287391 588730719 /nfs/dbraw/zinc/73/07/19/588730719.db2.gz KQPZMWNOPNBWIG-UHFFFAOYSA-N 1 0 220.280 0.505 20 30 BCEDRO C[C@H](CO)NN=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853313168 588732085 /nfs/dbraw/zinc/73/20/85/588732085.db2.gz AJBRJJHEGVGAIJ-SNVBAGLBSA-N 1 0 245.286 0.572 20 30 BCEDRO CC[C@H]1COCC1=NNC1=[NH+][C@H](C)CN1 ZINC000853330481 588733569 /nfs/dbraw/zinc/73/35/69/588733569.db2.gz NLNYAUUDAHXGDF-SFYZADRCSA-N 1 0 210.281 0.336 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cn(C3CCC3)nn2)N1 ZINC000853330391 588733640 /nfs/dbraw/zinc/73/36/40/588733640.db2.gz MRTQXDOXCOGWGX-MRVPVSSYSA-N 1 0 247.306 0.274 20 30 BCEDRO CC(C)n1ccnc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000853330717 588733822 /nfs/dbraw/zinc/73/38/22/588733822.db2.gz UDOXLGUIXJRWCY-VIFPVBQESA-N 1 0 234.307 0.735 20 30 BCEDRO COc1cncc(C=NNC2=[NH+]C[C@@H](C)N2)c1 ZINC000853330940 588733926 /nfs/dbraw/zinc/73/39/26/588733926.db2.gz ZQHQTDACRNDELH-MRVPVSSYSA-N 1 0 233.275 0.361 20 30 BCEDRO Cn1ncc(C2CC2)c1C=NNC1=[NH+]CCN1 ZINC000853357149 588737616 /nfs/dbraw/zinc/73/76/16/588737616.db2.gz BWGGHJXPLSSCOP-UHFFFAOYSA-N 1 0 232.291 0.180 20 30 BCEDRO C[C@H](CCNC(=O)NCCC#N)[NH+](C)C ZINC000854025046 588771943 /nfs/dbraw/zinc/77/19/43/588771943.db2.gz GRPRAGIRXQNQJK-SECBINFHSA-N 1 0 212.297 0.539 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000854076510 588773611 /nfs/dbraw/zinc/77/36/11/588773611.db2.gz UTHCBUYMRUSNFN-LBPRGKRZSA-N 1 0 235.331 0.959 20 30 BCEDRO C#CC(=O)N1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000854332647 588784377 /nfs/dbraw/zinc/78/43/77/588784377.db2.gz IHCPLZMWIWACKB-LBPRGKRZSA-N 1 0 236.315 0.333 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)C(OC)OC ZINC000854465836 588788397 /nfs/dbraw/zinc/78/83/97/588788397.db2.gz ZSEGXHFNEIETBD-SECBINFHSA-N 1 0 230.308 0.228 20 30 BCEDRO C[C@H](CC#N)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000854525201 588790206 /nfs/dbraw/zinc/79/02/06/588790206.db2.gz CYXAQAMNWTVPBN-GRYCIOLGSA-N 1 0 235.331 0.946 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000854543174 588792383 /nfs/dbraw/zinc/79/23/83/588792383.db2.gz VIVOKPDKTVJRIL-UWVGGRQHSA-N 1 0 247.298 0.015 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC000854543754 588792559 /nfs/dbraw/zinc/79/25/59/588792559.db2.gz FPABLKUFKRSFDU-LBPRGKRZSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000854545422 588792719 /nfs/dbraw/zinc/79/27/19/588792719.db2.gz IEKRATDHJQFKIU-TUAOUCFPSA-N 1 0 238.331 0.360 20 30 BCEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)C#CC1CC1 ZINC000854650586 588799268 /nfs/dbraw/zinc/79/92/68/588799268.db2.gz CWTNQQZKAHCVEA-JQWIXIFHSA-N 1 0 220.316 0.951 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000854722618 588804179 /nfs/dbraw/zinc/80/41/79/588804179.db2.gz DGOBKIZLAJMDQB-ZDUSSCGKSA-N 1 0 249.358 0.104 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)c1nccc(N)n1 ZINC000854761950 588806144 /nfs/dbraw/zinc/80/61/44/588806144.db2.gz JZJOFLASSXTAGT-SECBINFHSA-N 1 0 249.318 0.354 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000854770826 588806709 /nfs/dbraw/zinc/80/67/09/588806709.db2.gz ORMJVMIREVIZMG-NWDGAFQWSA-N 1 0 238.331 0.361 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CC(C)=NO1 ZINC000854804624 588811013 /nfs/dbraw/zinc/81/10/13/588811013.db2.gz RZEMBJHPBTXYJU-SNVBAGLBSA-N 1 0 225.292 0.385 20 30 BCEDRO CC1(CNC(=[NH2+])NC[C@H]2CCCO2)COC1 ZINC000112769776 588816308 /nfs/dbraw/zinc/81/63/08/588816308.db2.gz WWLDSHSAWBBPIJ-SECBINFHSA-N 1 0 227.308 0.106 20 30 BCEDRO C[NH+](C)CCONC(=O)c1c[nH]c(C#N)c1 ZINC000854945634 588818054 /nfs/dbraw/zinc/81/80/54/588818054.db2.gz NMQPWNSYHWEZCP-UHFFFAOYSA-N 1 0 222.248 0.109 20 30 BCEDRO CC(C)C#CC(=O)NCC1([NH+](C)C)CC1 ZINC000854954221 588818860 /nfs/dbraw/zinc/81/88/60/588818860.db2.gz BWRKHNWRIBEMNE-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1COC(C)(C)C1 ZINC000855172517 588825301 /nfs/dbraw/zinc/82/53/01/588825301.db2.gz PWCQXHJHGJZXEW-SNVBAGLBSA-N 1 0 226.320 0.788 20 30 BCEDRO CON=CC(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855161280 588824770 /nfs/dbraw/zinc/82/47/70/588824770.db2.gz NIDBFKPEHUIAGT-JTQLQIEISA-N 1 0 241.335 0.855 20 30 BCEDRO C=C(CO)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000855360791 588828934 /nfs/dbraw/zinc/82/89/34/588828934.db2.gz OIKQFWVZJIUZGR-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO CCN(C(=O)C#CC1CC1)[C@H]1CC[N@H+](C)C1 ZINC000855362509 588829092 /nfs/dbraw/zinc/82/90/92/588829092.db2.gz NRHVPQQFZMLDBB-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC000890657524 582495554 /nfs/dbraw/zinc/49/55/54/582495554.db2.gz SJDTVWQLHWDOSF-LLVKDONJSA-N 1 0 217.272 0.967 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@@H](O)C1CC1 ZINC000890719266 582515301 /nfs/dbraw/zinc/51/53/01/582515301.db2.gz DSBMNSABLRRALB-LLVKDONJSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(CO)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000855490690 588838324 /nfs/dbraw/zinc/83/83/24/588838324.db2.gz JQBUYIMTLQHZNS-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COC[C@@H]1C1CC1 ZINC000891047117 582601375 /nfs/dbraw/zinc/60/13/75/582601375.db2.gz OAQNEMSADFYSFG-VXGBXAGGSA-N 1 0 238.331 0.645 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C)C(O)[C@@H](C)C1 ZINC000855687286 588845089 /nfs/dbraw/zinc/84/50/89/588845089.db2.gz CFICKFDRACRXTN-UWVGGRQHSA-N 1 0 240.347 0.580 20 30 BCEDRO C#CCSCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891589785 582699620 /nfs/dbraw/zinc/69/96/20/582699620.db2.gz RCIABXIYMCNQAP-NXEZZACHSA-N 1 0 241.360 0.484 20 30 BCEDRO C=CCCOCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891717806 582713963 /nfs/dbraw/zinc/71/39/63/582713963.db2.gz CFPUZRZIWSEVKM-WDEREUQCSA-N 1 0 241.335 0.710 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CC1=CCCOC1 ZINC000855741456 588846412 /nfs/dbraw/zinc/84/64/12/588846412.db2.gz VGHSRMJLMUDTIL-UHFFFAOYSA-N 1 0 238.331 0.909 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCCC#N ZINC000891769858 582718825 /nfs/dbraw/zinc/71/88/25/582718825.db2.gz RRGBTKQDNCQIAN-DTWKUNHWSA-N 1 0 210.281 0.421 20 30 BCEDRO C#CCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891848977 582729622 /nfs/dbraw/zinc/72/96/22/582729622.db2.gz SYWRSWONFYSMAR-PHIMTYICSA-N 1 0 221.304 0.546 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cnc(C)nc1C ZINC000779795278 582733261 /nfs/dbraw/zinc/73/32/61/582733261.db2.gz RJULAZITZHVPNB-SSDOTTSWSA-N 1 0 246.318 0.755 20 30 BCEDRO COCc1ccc(C=NNC2=[NH+]C[C@@H](C)N2)o1 ZINC000779801820 582735075 /nfs/dbraw/zinc/73/50/75/582735075.db2.gz YIOCRIMHMCWJLG-MRVPVSSYSA-N 1 0 236.275 0.697 20 30 BCEDRO C=CCONC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000891943792 582742348 /nfs/dbraw/zinc/74/23/48/582742348.db2.gz LMLXCNKUCDDACD-SECBINFHSA-N 1 0 213.281 0.497 20 30 BCEDRO CC(C)(CC#N)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891955840 582746047 /nfs/dbraw/zinc/74/60/47/582746047.db2.gz QRHMRIVAHISDNW-MGCOHNPYSA-N 1 0 238.335 0.963 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)NCC[NH3+])C2 ZINC000891976912 582751095 /nfs/dbraw/zinc/75/10/95/582751095.db2.gz QAVKGLZHQBNLPA-LBPRGKRZSA-N 1 0 244.298 0.283 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H]2COC[C@@]2(C)C1 ZINC000855834883 588849809 /nfs/dbraw/zinc/84/98/09/588849809.db2.gz DFLWLRAHFCQFDY-WCQYABFASA-N 1 0 238.331 0.599 20 30 BCEDRO C=CCC1(O)CCN(C(=O)NC[C@@H](C)[NH3+])CC1 ZINC000892101046 582791599 /nfs/dbraw/zinc/79/15/99/582791599.db2.gz ATBFEDZLZQIZLN-SNVBAGLBSA-N 1 0 241.335 0.446 20 30 BCEDRO C[N@@H+](Cc1cccc(C#N)c1)C[C@H](O)CO ZINC000113761240 588853696 /nfs/dbraw/zinc/85/36/96/588853696.db2.gz NUHXNDMHLMQOHG-LBPRGKRZSA-N 1 0 220.272 0.343 20 30 BCEDRO Cc1nccn1CCCNC1=[NH+]CCN1C ZINC000848987738 582818696 /nfs/dbraw/zinc/81/86/96/582818696.db2.gz WMLSPEDOROVWNZ-UHFFFAOYSA-N 1 0 221.308 0.473 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H](O)C12CCC2 ZINC000855921810 588854087 /nfs/dbraw/zinc/85/40/87/588854087.db2.gz ZUOLUWSCUWAADE-QWRGUYRKSA-N 1 0 238.331 0.524 20 30 BCEDRO CCNC(N[C@@H]1CCn2ccnc2C1)=[NH+]CC ZINC000849020501 582828286 /nfs/dbraw/zinc/82/82/86/582828286.db2.gz YCGBHVINJQZTND-SNVBAGLBSA-N 1 0 235.335 0.773 20 30 BCEDRO CCN1C[C@H](C[NH+]=C(N(C)C)N(C)C)CC1=O ZINC000849048088 582841470 /nfs/dbraw/zinc/84/14/70/582841470.db2.gz BQPXSNOZDLNAPZ-JTQLQIEISA-N 1 0 240.351 0.334 20 30 BCEDRO C[NH+]=C(NCc1ccco1)N[C@H](CO)CCF ZINC000849048571 582841842 /nfs/dbraw/zinc/84/18/42/582841842.db2.gz JMWQXCVTPBRZDO-VIFPVBQESA-N 1 0 243.282 0.665 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NOCCC=C)CC1 ZINC000856030326 588856307 /nfs/dbraw/zinc/85/63/07/588856307.db2.gz CSFWMAYKBPOLSD-UHFFFAOYSA-N 1 0 236.315 0.956 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892551495 582911026 /nfs/dbraw/zinc/91/10/26/582911026.db2.gz JHUYMQNWLFRSEQ-AXFHLTTASA-N 1 0 223.320 0.825 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892565423 582915657 /nfs/dbraw/zinc/91/56/57/582915657.db2.gz DDSSWXHHDLHNOL-CKYFFXLPSA-N 1 0 236.319 0.669 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000393843070 582929279 /nfs/dbraw/zinc/92/92/79/582929279.db2.gz KMNVYELCTFGABH-MVWJERBFSA-N 1 0 238.331 0.692 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000856196685 588863760 /nfs/dbraw/zinc/86/37/60/588863760.db2.gz CYYJXAJKMKDBDW-LLVKDONJSA-N 1 0 218.260 0.714 20 30 BCEDRO CCS(=O)(=O)CCNC(=[NH2+])NC(C)(C)C ZINC000104193617 582945767 /nfs/dbraw/zinc/94/57/67/582945767.db2.gz BTCMNNOYYBYNIZ-UHFFFAOYSA-N 1 0 235.353 0.124 20 30 BCEDRO C[C@@H]1CC[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000783252533 582953988 /nfs/dbraw/zinc/95/39/88/582953988.db2.gz SAHLNGBYERXBHP-QNHQHOPMSA-N 1 0 249.314 0.901 20 30 BCEDRO N#CC1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000851740217 582964959 /nfs/dbraw/zinc/96/49/59/582964959.db2.gz OCTNONIWMOTCRS-UHFFFAOYSA-N 1 0 205.265 0.583 20 30 BCEDRO C#CCOCC[N@@H+](CC)Cc1cnn(C)c1 ZINC000851745201 582965814 /nfs/dbraw/zinc/96/58/14/582965814.db2.gz WZTWKMWBWYZHNO-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1nccn1C ZINC000856280136 588866999 /nfs/dbraw/zinc/86/69/99/588866999.db2.gz JWFZKPNCVPKZKV-JTQLQIEISA-N 1 0 236.319 0.715 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NOCC1CCC1 ZINC000856350975 588869981 /nfs/dbraw/zinc/86/99/81/588869981.db2.gz YRXYWZWNRMKSCG-UHFFFAOYSA-N 1 0 212.293 0.952 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NCCC(C)(C)[NH3+] ZINC000892855526 582997308 /nfs/dbraw/zinc/99/73/08/582997308.db2.gz ZCRWNRBXFXPGIP-SNVBAGLBSA-N 1 0 243.351 0.598 20 30 BCEDRO CC[C@@H]1CN(C(=O)C=NOC)C[C@H](C)[NH2+]1 ZINC000856408827 588872020 /nfs/dbraw/zinc/87/20/20/588872020.db2.gz UPNQXYDLKIIDIK-DTWKUNHWSA-N 1 0 213.281 0.218 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(NC(=O)OC)CC1 ZINC000852766423 583016701 /nfs/dbraw/zinc/01/67/01/583016701.db2.gz AANQUNGUQHTJAX-LLVKDONJSA-N 1 0 242.319 0.744 20 30 BCEDRO C=CCN(C(=O)[C@]1(F)CC[NH2+]C1)[C@@H](C)COC ZINC000852901883 583022430 /nfs/dbraw/zinc/02/24/30/583022430.db2.gz UNIHJGYWIWNMKY-JQWIXIFHSA-N 1 0 244.310 0.738 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000854543192 583087773 /nfs/dbraw/zinc/08/77/73/583087773.db2.gz AAPRZXFHEHAAEE-GHMZBOCLSA-N 1 0 240.347 0.654 20 30 BCEDRO C#C[C@H](CO)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000854770288 583091839 /nfs/dbraw/zinc/09/18/39/583091839.db2.gz FCPGUVFXMDNJTM-GFCCVEGCSA-N 1 0 238.331 0.217 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893474970 583150855 /nfs/dbraw/zinc/15/08/55/583150855.db2.gz HMODBAUTJUYDHT-WDEREUQCSA-N 1 0 247.360 0.602 20 30 BCEDRO CC(=O)OC[C@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000893869319 583241556 /nfs/dbraw/zinc/24/15/56/583241556.db2.gz WWZDRJVLXKCJQA-VIFPVBQESA-N 1 0 233.271 0.994 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)NCC1(C#N)CC1 ZINC000857102692 588887784 /nfs/dbraw/zinc/88/77/84/588887784.db2.gz KHBPSARMNQVDOH-QMMMGPOBSA-N 1 0 210.281 0.327 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)NCC1(CC#N)CC1 ZINC000857102875 588887907 /nfs/dbraw/zinc/88/79/07/588887907.db2.gz RAEBSRWKGUJPEJ-VIFPVBQESA-N 1 0 224.308 0.717 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2cncc(C#N)n2)C1 ZINC000893933802 583252076 /nfs/dbraw/zinc/25/20/76/583252076.db2.gz CUHGAVAHYPQVGQ-ONGXEEELSA-N 1 0 229.287 0.489 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(c3ccnc(C#N)n3)[C@H]2C1 ZINC000893940326 583254574 /nfs/dbraw/zinc/25/45/74/583254574.db2.gz MQAQGKPKULHQPN-ZJUUUORDSA-N 1 0 229.287 0.489 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(c3cnc(C#N)cn3)[C@@H]2C1 ZINC000893941890 583254594 /nfs/dbraw/zinc/25/45/94/583254594.db2.gz XCFABAQQAYCLMQ-MWLCHTKSSA-N 1 0 229.287 0.489 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(c3cnc(C#N)cn3)[C@@H]2C1 ZINC000893941888 583254891 /nfs/dbraw/zinc/25/48/91/583254891.db2.gz XCFABAQQAYCLMQ-GXSJLCMTSA-N 1 0 229.287 0.489 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(c3cc(C#N)ncn3)[C@@H]2C1 ZINC000893942174 583255837 /nfs/dbraw/zinc/25/58/37/583255837.db2.gz ZMKMGKBMTDDPTD-MWLCHTKSSA-N 1 0 229.287 0.489 20 30 BCEDRO C#CCN(C(=O)NCC[C@H](C)[NH3+])C1CC1 ZINC000857108363 588888470 /nfs/dbraw/zinc/88/84/70/588888470.db2.gz CQKMQXUTILDKTC-VIFPVBQESA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCCNC(=O)C(C)(C)c1c[nH]cn1 ZINC000857124556 588889985 /nfs/dbraw/zinc/88/99/85/588889985.db2.gz CDZRQEOSEDHVKJ-UHFFFAOYSA-N 1 0 205.261 0.827 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000894108065 583307130 /nfs/dbraw/zinc/30/71/30/583307130.db2.gz POCRHLKEUJRWPS-QWRGUYRKSA-N 1 0 238.335 0.882 20 30 BCEDRO C[C@H](C#N)CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000894108062 583307599 /nfs/dbraw/zinc/30/75/99/583307599.db2.gz POCRHLKEUJRWPS-GHMZBOCLSA-N 1 0 238.335 0.882 20 30 BCEDRO C[C@@H]1CC[N@H+](CCNC(=O)NCCCC#N)C1 ZINC000894130501 583312959 /nfs/dbraw/zinc/31/29/59/583312959.db2.gz HCVWQOMYLVGHOG-LLVKDONJSA-N 1 0 238.335 0.931 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cn(C)nc2Cl)N1 ZINC000857211373 588893778 /nfs/dbraw/zinc/89/37/78/588893778.db2.gz HMQRXYJQNXWWTC-ZCFIWIBFSA-N 1 0 240.698 0.345 20 30 BCEDRO C#CC[C@H]1NC(=O)N(C[C@H]2CC[N@H+]2CC)C1=O ZINC000877880759 583352607 /nfs/dbraw/zinc/35/26/07/583352607.db2.gz IPNCMTUYQWQNHL-NXEZZACHSA-N 1 0 235.287 0.024 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894272616 583403475 /nfs/dbraw/zinc/40/34/75/583403475.db2.gz YWAWLSOCHZDNIZ-TXEJJXNPSA-N 1 0 235.331 0.603 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC1CC([NH+](C)C)C1 ZINC000857228123 588896584 /nfs/dbraw/zinc/89/65/84/588896584.db2.gz YZPNQLGJCYBVRZ-KPPDAEKUSA-N 1 0 224.304 0.234 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000894384844 583443471 /nfs/dbraw/zinc/44/34/71/583443471.db2.gz XFKJEWUUJYXHBG-SECBINFHSA-N 1 0 219.288 0.604 20 30 BCEDRO C#C[C@H](C)[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000894385265 583443563 /nfs/dbraw/zinc/44/35/63/583443563.db2.gz YGGCQGYRXOIFNM-GUBZILKMSA-N 1 0 215.318 0.421 20 30 BCEDRO CC[S@](=O)CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857234605 588899407 /nfs/dbraw/zinc/89/94/07/588899407.db2.gz SVLVDNYSXUZOJV-HWPZZCPQSA-N 1 0 246.376 0.645 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1c(C)ccnc1N ZINC000894460840 583467290 /nfs/dbraw/zinc/46/72/90/583467290.db2.gz FFNNAXGIZBLMIA-JTQLQIEISA-N 1 0 221.304 0.999 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCC#N)[C@H]2C1 ZINC000894484281 583470820 /nfs/dbraw/zinc/47/08/20/583470820.db2.gz DSNYIWQLYURZOO-ZJUUUORDSA-N 1 0 222.292 0.246 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](CC)CO ZINC000857330607 588906020 /nfs/dbraw/zinc/90/60/20/588906020.db2.gz VFVUIAWBXIYEEI-NWDGAFQWSA-N 1 0 240.347 0.936 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@@H](CC)CO ZINC000857330606 588906203 /nfs/dbraw/zinc/90/62/03/588906203.db2.gz VFVUIAWBXIYEEI-NEPJUHHUSA-N 1 0 240.347 0.936 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](C)COC(C)=O ZINC000894640244 583498320 /nfs/dbraw/zinc/49/83/20/583498320.db2.gz ZZNYCWIUGCLIPD-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO COCc1cc(NCC#CC[NH+](C)C)ncn1 ZINC000894876712 583541887 /nfs/dbraw/zinc/54/18/87/583541887.db2.gz UPCYFHRITSAQCE-UHFFFAOYSA-N 1 0 234.303 0.600 20 30 BCEDRO CC(C)[C@H]([NH3+])c1cn(CCO[C@@H](C)C#N)nn1 ZINC000881323689 583551178 /nfs/dbraw/zinc/55/11/78/583551178.db2.gz NXBXWIGDHHPFLR-ONGXEEELSA-N 1 0 237.307 0.863 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(CC)nn1 ZINC000895006612 583565730 /nfs/dbraw/zinc/56/57/30/583565730.db2.gz SQLUYSHFQPFYFL-JQWIXIFHSA-N 1 0 236.319 0.979 20 30 BCEDRO CCC[C@H]1CN(c2ccc(C#N)nn2)CC[NH2+]1 ZINC000895057558 583575369 /nfs/dbraw/zinc/57/53/69/583575369.db2.gz GBMQNFQOVPDBPN-NSHDSACASA-N 1 0 231.303 0.927 20 30 BCEDRO CCC[C@@H]1CN(c2cnc(C#N)cn2)CC[NH2+]1 ZINC000895059910 583576089 /nfs/dbraw/zinc/57/60/89/583576089.db2.gz YJKLQDGFSVVEKH-SNVBAGLBSA-N 1 0 231.303 0.927 20 30 BCEDRO C[C@@H](CCC#N)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895065968 583577848 /nfs/dbraw/zinc/57/78/48/583577848.db2.gz LIAPVLJNJRNRFC-LBPRGKRZSA-N 1 0 248.330 0.984 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)Cc1cnccn1 ZINC000895097112 583588125 /nfs/dbraw/zinc/58/81/25/583588125.db2.gz DLNCQFVNTMGZDX-NEPJUHHUSA-N 1 0 233.315 0.772 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)COCCOC ZINC000895130664 583600744 /nfs/dbraw/zinc/60/07/44/583600744.db2.gz AOMKZOYDXQDIFD-NEPJUHHUSA-N 1 0 229.320 0.402 20 30 BCEDRO CO[C@@H](C[NH2+][C@@H]1CCCN(O)C1=O)C1CC1 ZINC000895158398 583608643 /nfs/dbraw/zinc/60/86/43/583608643.db2.gz ZRRIIANINXWSPR-ZJUUUORDSA-N 1 0 228.292 0.381 20 30 BCEDRO C[C@@H]1COCC[C@H]1[NH2+][C@@H]1CCCN(O)C1=O ZINC000895158996 583608883 /nfs/dbraw/zinc/60/88/83/583608883.db2.gz BEMCOTNKQTUDRY-OPRDCNLKSA-N 1 0 228.292 0.381 20 30 BCEDRO O=C1[C@H]([NH2+]CC[C@@H]2CCOC2)CCCN1O ZINC000895158955 583609039 /nfs/dbraw/zinc/60/90/39/583609039.db2.gz AFXMMUHEWRQVLV-NXEZZACHSA-N 1 0 228.292 0.383 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160027 583609310 /nfs/dbraw/zinc/60/93/10/583609310.db2.gz JUFMOHLRWRYCOJ-NXEZZACHSA-N 1 0 225.292 0.896 20 30 BCEDRO O=C1[C@H]([NH2+]C[C@@H]2CCC=CO2)CCCN1O ZINC000895161852 583610495 /nfs/dbraw/zinc/61/04/95/583610495.db2.gz VBOXHBSNPSVUBL-VHSXEESVSA-N 1 0 226.276 0.649 20 30 BCEDRO O=C1[C@@H]([NH2+]C[C@@H]2CCCOC2)CCCN1O ZINC000895163298 583611183 /nfs/dbraw/zinc/61/11/83/583611183.db2.gz SVNIFVXQUNRCLW-UWVGGRQHSA-N 1 0 228.292 0.383 20 30 BCEDRO O=C1[C@H]([NH2+]C[C@H]2CCCOC2)CCCN1O ZINC000895163296 583611236 /nfs/dbraw/zinc/61/12/36/583611236.db2.gz SVNIFVXQUNRCLW-NXEZZACHSA-N 1 0 228.292 0.383 20 30 BCEDRO COCCOC[C@@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895196279 583623007 /nfs/dbraw/zinc/62/30/07/583623007.db2.gz JTGRRVZDVVMQAI-ZJUUUORDSA-N 1 0 246.307 0.008 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000895248537 583631875 /nfs/dbraw/zinc/63/18/75/583631875.db2.gz MIUFOUZZLXMEND-NXEZZACHSA-N 1 0 225.292 0.450 20 30 BCEDRO NC(=[NH2+])N=NC1=C2CCC(=O)NC2CCC1 ZINC000788014456 583639865 /nfs/dbraw/zinc/63/98/65/583639865.db2.gz CHGJJJNJLFFZKP-UHFFFAOYSA-N 1 0 221.264 0.173 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2cn[nH]c21 ZINC000857872935 588918167 /nfs/dbraw/zinc/91/81/67/588918167.db2.gz RUGSRIZVWHQZHD-ZJUUUORDSA-N 1 0 207.277 0.924 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2ccc(CO)o2)CC1 ZINC000895383665 583663137 /nfs/dbraw/zinc/66/31/37/583663137.db2.gz ZHQYSXJANNVIQQ-UHFFFAOYSA-N 1 0 235.283 0.732 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000895538630 583687292 /nfs/dbraw/zinc/68/72/92/583687292.db2.gz NEXMXDPHWSECJZ-UHFFFAOYSA-N 1 0 232.283 0.747 20 30 BCEDRO C#CCSCC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000895538952 583687317 /nfs/dbraw/zinc/68/73/17/583687317.db2.gz LVJONMYUEXSGJB-NSHDSACASA-N 1 0 240.372 0.953 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CCC12CC[NH+](C)CC2 ZINC000895679445 583705225 /nfs/dbraw/zinc/70/52/25/583705225.db2.gz NOEWVQDQPUGEQZ-LLVKDONJSA-N 1 0 235.331 0.888 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C1CCN(C=O)CC1 ZINC000895670200 583706083 /nfs/dbraw/zinc/70/60/83/583706083.db2.gz BTPHMXQKWYJOLJ-GFCCVEGCSA-N 1 0 238.331 0.625 20 30 BCEDRO C=CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000895691594 583708117 /nfs/dbraw/zinc/70/81/17/583708117.db2.gz IMRPNNYGGQDOBD-PHIMTYICSA-N 1 0 223.320 0.766 20 30 BCEDRO CC#CCNC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000895679864 583708677 /nfs/dbraw/zinc/70/86/77/583708677.db2.gz CWCOWCLRYIAAHK-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO COC(=O)[C@@]1(O)CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000895704794 583710526 /nfs/dbraw/zinc/71/05/26/583710526.db2.gz YNAOIVGSEMKAAZ-CMPLNLGQSA-N 1 0 240.303 0.536 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCCNC(=O)C1 ZINC000895712818 583710698 /nfs/dbraw/zinc/71/06/98/583710698.db2.gz DGURZYKXWVYDDF-WDEREUQCSA-N 1 0 226.320 0.572 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000895712816 583710841 /nfs/dbraw/zinc/71/08/41/583710841.db2.gz DGURZYKXWVYDDF-MNOVXSKESA-N 1 0 226.320 0.572 20 30 BCEDRO C#CCSCC(=O)NCC[NH+]1CCCCC1 ZINC000895732914 583712479 /nfs/dbraw/zinc/71/24/79/583712479.db2.gz RJXZRMNDQNTFCZ-UHFFFAOYSA-N 1 0 240.372 0.955 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000895748424 583716940 /nfs/dbraw/zinc/71/69/40/583716940.db2.gz OOKAVZVEUJXAHF-OLZOCXBDSA-N 1 0 249.358 0.342 20 30 BCEDRO C#CCOCCN1CCc2cnc(N)nc2C1 ZINC000857921592 588924518 /nfs/dbraw/zinc/92/45/18/588924518.db2.gz LIIAFLWXGGRMEA-UHFFFAOYSA-N 1 0 232.287 0.067 20 30 BCEDRO C#CCSCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000896111630 583771637 /nfs/dbraw/zinc/77/16/37/583771637.db2.gz SAHOKZUHDFMQSR-LLVKDONJSA-N 1 0 240.372 0.905 20 30 BCEDRO C#CCSCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000896111631 583771731 /nfs/dbraw/zinc/77/17/31/583771731.db2.gz SAHOKZUHDFMQSR-NSHDSACASA-N 1 0 240.372 0.905 20 30 BCEDRO CCO[C@H](CNc1ccc(C#N)nn1)C[NH+](C)C ZINC000896112724 583771811 /nfs/dbraw/zinc/77/18/11/583771811.db2.gz NUNLKRWLCHNEKO-LLVKDONJSA-N 1 0 249.318 0.727 20 30 BCEDRO C#Cc1cnc(NC[C@H](C[NH+](C)C)OCC)nc1 ZINC000896110764 583772555 /nfs/dbraw/zinc/77/25/55/583772555.db2.gz BVZJOZGQWGZAIR-GFCCVEGCSA-N 1 0 248.330 0.837 20 30 BCEDRO CC[C@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000727833193 583782223 /nfs/dbraw/zinc/78/22/23/583782223.db2.gz PDIAYACWJYSSRP-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C#CCCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000896347634 583795013 /nfs/dbraw/zinc/79/50/13/583795013.db2.gz RFSGBVPTVZXAPZ-LBPRGKRZSA-N 1 0 246.314 0.930 20 30 BCEDRO C#CCSCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000896665759 583821848 /nfs/dbraw/zinc/82/18/48/583821848.db2.gz CAXUGMJRMDWPBS-QWRGUYRKSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCSCC(=O)N(C)CC[NH+](C)C ZINC000896819425 583836634 /nfs/dbraw/zinc/83/66/34/583836634.db2.gz SSRRHHBNRDPBJF-UHFFFAOYSA-N 1 0 214.334 0.373 20 30 BCEDRO C#Cc1ccc(CNC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000841907499 583864901 /nfs/dbraw/zinc/86/49/01/583864901.db2.gz AGMDVGGITXGVPG-ZDUSSCGKSA-N 1 0 243.310 0.911 20 30 BCEDRO CCNC(NCCOC[C@H]1CCCO1)=[NH+]CC ZINC000115927409 588938206 /nfs/dbraw/zinc/93/82/06/588938206.db2.gz YWUGRSBXEPIBQB-LLVKDONJSA-N 1 0 243.351 0.757 20 30 BCEDRO CC1(C)CC[N@H+](CCNc2ccnc(C#N)n2)C1 ZINC000897248939 583902486 /nfs/dbraw/zinc/90/24/86/583902486.db2.gz HSMYANYTVNHIPR-UHFFFAOYSA-N 1 0 245.330 0.914 20 30 BCEDRO C#CCCCNC(=O)NC[C@H]1COCCN1C ZINC000858258010 588940732 /nfs/dbraw/zinc/94/07/32/588940732.db2.gz UBXRPDYACHOHHZ-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO N#Cc1cc(C(=O)NC[C@@H]([NH3+])C2CC2)co1 ZINC000870939390 583932068 /nfs/dbraw/zinc/93/20/68/583932068.db2.gz RPOBRISHDAVSTP-SNVBAGLBSA-N 1 0 219.244 0.618 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](Cc2cnnn2C)C1 ZINC000862445315 583962944 /nfs/dbraw/zinc/96/29/44/583962944.db2.gz QHNIHACKFGJRMU-SNVBAGLBSA-N 1 0 204.277 0.660 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897433884 583973752 /nfs/dbraw/zinc/97/37/52/583973752.db2.gz GJLNKTHUJIHWJY-VHSXEESVSA-N 1 0 208.305 0.997 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cnn2c1CCC2 ZINC000858334585 588946524 /nfs/dbraw/zinc/94/65/24/588946524.db2.gz QHJMDKOBMZXHAR-GFCCVEGCSA-N 1 0 233.315 0.957 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cnn2c1CCC2 ZINC000858334587 588946542 /nfs/dbraw/zinc/94/65/42/588946542.db2.gz QHJMDKOBMZXHAR-LBPRGKRZSA-N 1 0 233.315 0.957 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1nccn1C ZINC000858334384 588946749 /nfs/dbraw/zinc/94/67/49/588946749.db2.gz VRWNNPHNJLBHQV-LLVKDONJSA-N 1 0 221.304 0.938 20 30 BCEDRO CC#CCN(C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000897458799 583988199 /nfs/dbraw/zinc/98/81/99/583988199.db2.gz FONDTHRRSGJUST-LBPRGKRZSA-N 1 0 237.347 0.993 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cnc(C)nc1 ZINC000858335834 588946951 /nfs/dbraw/zinc/94/69/51/588946951.db2.gz JOBUBMSHMXZVFD-GFCCVEGCSA-N 1 0 219.288 0.913 20 30 BCEDRO C#Cc1ccc(C[NH2+]CCN2CC[C@H](O)C2)cc1 ZINC000858341079 588946969 /nfs/dbraw/zinc/94/69/69/588946969.db2.gz XWLLSSVVPQFWFG-HNNXBMFYSA-N 1 0 244.338 0.824 20 30 BCEDRO C#C[C@H](CC)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897555684 584018142 /nfs/dbraw/zinc/01/81/42/584018142.db2.gz VWQDNNHCDPFHIX-VXGBXAGGSA-N 1 0 236.315 0.235 20 30 BCEDRO C#CCCC[NH2+]Cc1cn(C[C@H]2CCCO2)nn1 ZINC000865477512 584018999 /nfs/dbraw/zinc/01/89/99/584018999.db2.gz GDKKOSKSPHZJRG-CYBMUJFWSA-N 1 0 248.330 0.960 20 30 BCEDRO C[C@@]1([NH2+]Cc2cc(C#N)cs2)CCNC1=O ZINC000897870885 584055860 /nfs/dbraw/zinc/05/58/60/584055860.db2.gz BKMWAEFKCBLOTI-LLVKDONJSA-N 1 0 235.312 0.988 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000898169217 584088341 /nfs/dbraw/zinc/08/83/41/584088341.db2.gz DOCZYKCLUGTGEN-NTZNESFSSA-N 1 0 238.331 0.334 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCC[N@@H+](C)C1CC1 ZINC000730098823 584123432 /nfs/dbraw/zinc/12/34/32/584123432.db2.gz RGOQJUMNWQCHJB-ZDUSSCGKSA-N 1 0 249.358 0.294 20 30 BCEDRO C=CC[C@H](CO)Nc1cc[nH+]c(CO)c1 ZINC000858482061 588959161 /nfs/dbraw/zinc/95/91/61/588959161.db2.gz SKCAEQMUAMBFDM-SNVBAGLBSA-N 1 0 208.261 0.923 20 30 BCEDRO N#CCCCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898605217 584144534 /nfs/dbraw/zinc/14/45/34/584144534.db2.gz PZXLEESZDBPISQ-UHFFFAOYSA-N 1 0 221.304 0.987 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898604944 584144770 /nfs/dbraw/zinc/14/47/70/584144770.db2.gz PTMRXCSAUVKEFT-ZDUSSCGKSA-N 1 0 238.331 0.620 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898601616 584145088 /nfs/dbraw/zinc/14/50/88/584145088.db2.gz QDARPQAYPJYUQX-NSHDSACASA-N 1 0 236.315 0.331 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NC/C=C\C ZINC000858492877 588960627 /nfs/dbraw/zinc/96/06/27/588960627.db2.gz FHOQKCFOXXNLHD-XQRVVYSFSA-N 1 0 223.320 0.817 20 30 BCEDRO CON=CC(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898828460 584161013 /nfs/dbraw/zinc/16/10/13/584161013.db2.gz CCRSCPQBHCOYJD-UWVGGRQHSA-N 1 0 239.319 0.608 20 30 BCEDRO C#CC[C@H](COC)NC(=O)NC[C@H](C)[NH+](C)C ZINC000858517672 588962151 /nfs/dbraw/zinc/96/21/51/588962151.db2.gz IYGYMMPOHWRZRN-WDEREUQCSA-N 1 0 241.335 0.274 20 30 BCEDRO C#CC1(O)CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000899117980 584176381 /nfs/dbraw/zinc/17/63/81/584176381.db2.gz RDMFFJRFQMMIBC-NSHDSACASA-N 1 0 238.331 0.313 20 30 BCEDRO C#CC1(F)CN(C(=O)[C@@H]2C[C@H]2c2c[nH]cn2)C1 ZINC000899216274 584182588 /nfs/dbraw/zinc/18/25/88/584182588.db2.gz SFXOFGNNNXFBIR-RKDXNWHRSA-N 1 0 233.246 0.697 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000899248069 584187879 /nfs/dbraw/zinc/18/78/79/584187879.db2.gz LTTWNQPKQQYUSG-ONGXEEELSA-N 1 0 207.277 0.142 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000899249365 584188267 /nfs/dbraw/zinc/18/82/67/584188267.db2.gz YFFQBFAJFPPUND-MWLCHTKSSA-N 1 0 209.293 0.695 20 30 BCEDRO CNC(NCc1nc2c(s1)COCC2)=[NH+]C ZINC000899262842 584190386 /nfs/dbraw/zinc/19/03/86/584190386.db2.gz SBDFHIVBTLSWHT-UHFFFAOYSA-N 1 0 240.332 0.511 20 30 BCEDRO CCNC(NCCOCCOCC)=[NH+]CC ZINC000899262031 584190607 /nfs/dbraw/zinc/19/06/07/584190607.db2.gz DYNOQXWVDQANRQ-UHFFFAOYSA-N 1 0 231.340 0.615 20 30 BCEDRO C=CCNC(=O)CCN1CC[NH+](C(C)C)CC1 ZINC000899922065 584256454 /nfs/dbraw/zinc/25/64/54/584256454.db2.gz JYMPRHWWQNSMAI-UHFFFAOYSA-N 1 0 239.363 0.705 20 30 BCEDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000858587976 588969837 /nfs/dbraw/zinc/96/98/37/588969837.db2.gz ULHPRDAHXQMVET-OPRDCNLKSA-N 1 0 225.292 0.677 20 30 BCEDRO C#CC[C@@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000858598218 588970024 /nfs/dbraw/zinc/97/00/24/588970024.db2.gz BTHLFVRPOJTLMI-MRVPVSSYSA-N 1 0 232.291 0.276 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CC)CO ZINC000900145109 584277851 /nfs/dbraw/zinc/27/78/51/584277851.db2.gz ZTWHJBKCEGGLED-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(O)CC1 ZINC000900150408 584279671 /nfs/dbraw/zinc/27/96/71/584279671.db2.gz IKHWYWCRAXUSEA-UHFFFAOYSA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCOCC ZINC000900242938 584288222 /nfs/dbraw/zinc/28/82/22/584288222.db2.gz HDSOOFZWAFGLPC-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)OCC ZINC000900269215 584290963 /nfs/dbraw/zinc/29/09/63/584290963.db2.gz XGXZZPMVLLGWIY-UHFFFAOYSA-N 1 0 228.292 0.174 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCCOC ZINC000900397835 584302564 /nfs/dbraw/zinc/30/25/64/584302564.db2.gz AFGKDDOFQAUCJJ-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](C)COC ZINC000900388161 584305822 /nfs/dbraw/zinc/30/58/22/584305822.db2.gz LFCHPWKZGLQGCK-JTQLQIEISA-N 1 0 228.336 0.893 20 30 BCEDRO C[C@@H](C#N)CNC(=O)c1ccnn1CC[NH+](C)C ZINC000900648616 584335367 /nfs/dbraw/zinc/33/53/67/584335367.db2.gz IFWZIUDNOAXVPE-JTQLQIEISA-N 1 0 249.318 0.334 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1ncc[nH]1 ZINC000900665315 584338013 /nfs/dbraw/zinc/33/80/13/584338013.db2.gz JWVNRJZNYVIQNB-UHFFFAOYSA-N 1 0 222.292 0.534 20 30 BCEDRO C#CCN(CC#CC)C(=O)C(=C)CC[NH+](C)C ZINC000900854704 584357462 /nfs/dbraw/zinc/35/74/62/584357462.db2.gz BSPXFTYFNVYMDI-UHFFFAOYSA-N 1 0 232.327 0.979 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H](O)C1CC1 ZINC000901004303 584373924 /nfs/dbraw/zinc/37/39/24/584373924.db2.gz NNCROXDIKQOGQC-GFCCVEGCSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C[C@@H](C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901016143 584374518 /nfs/dbraw/zinc/37/45/18/584374518.db2.gz BPUQVBWPQSDQAE-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CCCO ZINC000901017423 584375072 /nfs/dbraw/zinc/37/50/72/584375072.db2.gz MTERQXXWKYWCDF-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CC)CCO ZINC000901095287 584384911 /nfs/dbraw/zinc/38/49/11/584384911.db2.gz VEWAUDNREMCOCD-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO CC(=NNC(=S)NC1CC1)c1c[nH]c(N)[nH+]1 ZINC000901137299 584389326 /nfs/dbraw/zinc/38/93/26/584389326.db2.gz FABFNYZNSSCDEV-UHFFFAOYSA-N 1 0 238.320 0.342 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccnn2C2CCC2)N1 ZINC000901215087 584401680 /nfs/dbraw/zinc/40/16/80/584401680.db2.gz HCTBUEKLEUWVOG-VIFPVBQESA-N 1 0 246.318 0.879 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cn3ccnc3s2)N1 ZINC000901217330 584402041 /nfs/dbraw/zinc/40/20/41/584402041.db2.gz WQLSVFRUFFEKMI-ZETCQYMHSA-N 1 0 248.315 0.667 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1cnn(C2CCC2)c1 ZINC000901252456 584410186 /nfs/dbraw/zinc/41/01/86/584410186.db2.gz GGMRJULCANYJIR-UHFFFAOYSA-N 1 0 232.291 0.491 20 30 BCEDRO CC(=NNCC(C)(C)O)c1c[nH]c(N)[nH+]1 ZINC000901265644 584418085 /nfs/dbraw/zinc/41/80/85/584418085.db2.gz BGARYHLKQFXZLC-UHFFFAOYSA-N 1 0 211.269 0.076 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccn(C)n1 ZINC000901266848 584418286 /nfs/dbraw/zinc/41/82/86/584418286.db2.gz JVJRTPVKHLPUJB-UHFFFAOYSA-N 1 0 236.319 0.544 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](C)[C@H](O)C1 ZINC000901284691 584421635 /nfs/dbraw/zinc/42/16/35/584421635.db2.gz HSLBTOSKHRJBAV-WDEREUQCSA-N 1 0 226.320 0.334 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C(=C)CC[NH+](C)C ZINC000901323189 584430288 /nfs/dbraw/zinc/43/02/88/584430288.db2.gz PKHGLZXMPRWNOU-GFCCVEGCSA-N 1 0 240.347 0.795 20 30 BCEDRO C=C(C)CN(C)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901348829 584430851 /nfs/dbraw/zinc/43/08/51/584430851.db2.gz DRLJSCMDHPPRPS-JQWIXIFHSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C(C)CN(C)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000901348828 584430866 /nfs/dbraw/zinc/43/08/66/584430866.db2.gz DRLJSCMDHPPRPS-CMPLNLGQSA-N 1 0 226.320 0.476 20 30 BCEDRO C#CCCOC(=O)NCC[N@@H+](C)C1CC1 ZINC000858917229 588984918 /nfs/dbraw/zinc/98/49/18/588984918.db2.gz JNOXMWOIBKUJLZ-UHFFFAOYSA-N 1 0 210.277 0.830 20 30 BCEDRO C=C[C@H](NC[C@@H](C[NH+](C)C)OCC)C(=O)OC ZINC000901591980 584465954 /nfs/dbraw/zinc/46/59/54/584465954.db2.gz FZRRJPGXNDLSTK-QWRGUYRKSA-N 1 0 244.335 0.270 20 30 BCEDRO N#CCC[C@@H](C#N)C[NH2+]CCO[C@H]1CCOC1 ZINC000901616126 584469987 /nfs/dbraw/zinc/46/99/87/584469987.db2.gz KVDIQLCIICLIJC-RYUDHWBXSA-N 1 0 237.303 0.825 20 30 BCEDRO C=CCN(C)CN1C[C@]2(CCCOC2)C1=O ZINC000902228612 584541796 /nfs/dbraw/zinc/54/17/96/584541796.db2.gz KOAWQYRTWLYZSG-LBPRGKRZSA-N 1 0 224.304 0.701 20 30 BCEDRO N#Cc1csc(CN[C@@H]2CCC[C@@H]2[NH3+])n1 ZINC000902448357 584605405 /nfs/dbraw/zinc/60/54/05/584605405.db2.gz ZRNMCGWKFMCXII-DTWKUNHWSA-N 1 0 222.317 0.984 20 30 BCEDRO C[C@H]([NH2+]CCCO)c1cc(C#N)ccn1 ZINC000902719976 584659300 /nfs/dbraw/zinc/65/93/00/584659300.db2.gz BBMBZZCXOTYSNO-VIFPVBQESA-N 1 0 205.261 0.986 20 30 BCEDRO C[C@@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(C#N)ccn1 ZINC000902887274 584689194 /nfs/dbraw/zinc/68/91/94/584689194.db2.gz GONHVZWGHPGJBM-MFKMUULPSA-N 1 0 247.298 0.755 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C ZINC000902927436 584697713 /nfs/dbraw/zinc/69/77/13/584697713.db2.gz HGSNDWANDZJDFY-PSASIEDQSA-N 1 0 232.287 0.709 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903020037 584717344 /nfs/dbraw/zinc/71/73/44/584717344.db2.gz UWPSBDKWZPDGKA-LBPRGKRZSA-N 1 0 246.314 0.613 20 30 BCEDRO C[C@@H]([NH2+][C@H]1C[C@@H](C(N)=O)C1)c1cc(C#N)ccn1 ZINC000903041463 584720242 /nfs/dbraw/zinc/72/02/42/584720242.db2.gz KZBLTSYPPGFWPE-IEBDPFPHSA-N 1 0 244.298 0.868 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903022677 584720585 /nfs/dbraw/zinc/72/05/85/584720585.db2.gz KILYOOQWQIJKNI-WDEREUQCSA-N 1 0 247.302 0.237 20 30 BCEDRO Cc1cc(C#N)cc(C)c1CN(CC[NH3+])CCO ZINC000903449125 584771174 /nfs/dbraw/zinc/77/11/74/584771174.db2.gz QIJKHBVDCBTFJC-UHFFFAOYSA-N 1 0 247.342 0.928 20 30 BCEDRO Cc1cc(C#N)cc(C)c1CN(C)C[C@H](O)C[NH3+] ZINC000903454167 584773544 /nfs/dbraw/zinc/77/35/44/584773544.db2.gz WGJIJJDEJBXEEO-CYBMUJFWSA-N 1 0 247.342 0.927 20 30 BCEDRO C=CCNC(=O)[C@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000903467398 584774987 /nfs/dbraw/zinc/77/49/87/584774987.db2.gz AYYJCNQQGUQIQM-QWRGUYRKSA-N 1 0 237.347 0.551 20 30 BCEDRO C=CCN1CC[C@H](N[C@@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472982 584775950 /nfs/dbraw/zinc/77/59/50/584775950.db2.gz YJJMTNRJKFBROE-NWDGAFQWSA-N 1 0 249.358 0.648 20 30 BCEDRO N#C[C@H]1CCCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000903564252 584782238 /nfs/dbraw/zinc/78/22/38/584782238.db2.gz SBKDZTJSEUXXPF-GHMZBOCLSA-N 1 0 209.293 0.210 20 30 BCEDRO C[C@]1(C#N)CCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903767126 584797088 /nfs/dbraw/zinc/79/70/88/584797088.db2.gz UOOBWJCZDZNXBR-MCIONIFRSA-N 1 0 249.358 0.991 20 30 BCEDRO C[C@]1(C#N)CCN(C[C@@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903767125 584797220 /nfs/dbraw/zinc/79/72/20/584797220.db2.gz UOOBWJCZDZNXBR-BFHYXJOUSA-N 1 0 249.358 0.991 20 30 BCEDRO C[C@@]1(C#N)CN(CCC2CC[NH2+]CC2)CCO1 ZINC000903824208 584804668 /nfs/dbraw/zinc/80/46/68/584804668.db2.gz NEMCZQKJEIBNRX-CYBMUJFWSA-N 1 0 237.347 0.991 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]2CC[C@@]21C[NH3+] ZINC000903856863 584810119 /nfs/dbraw/zinc/81/01/19/584810119.db2.gz STQOCZFFPFZIES-ZYHUDNBSSA-N 1 0 223.320 0.102 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)CC1(O)CCC1 ZINC000859156526 589010920 /nfs/dbraw/zinc/01/09/20/589010920.db2.gz RFSXLACBLISNLT-LLVKDONJSA-N 1 0 211.305 0.608 20 30 BCEDRO COC[C@@H]1C[NH2+]CCN1Cc1ccc(C#N)o1 ZINC000903882812 584818304 /nfs/dbraw/zinc/81/83/04/584818304.db2.gz QBCSFDWHOAGJGY-JTQLQIEISA-N 1 0 235.287 0.571 20 30 BCEDRO C=CCN(C)Cc1cnnn1[C@@H]1CCC[NH2+]C1 ZINC000903905671 584820939 /nfs/dbraw/zinc/82/09/39/584820939.db2.gz LJLNEIFQLZDABP-LLVKDONJSA-N 1 0 235.335 0.820 20 30 BCEDRO COCc1noc(C2CC3(C2)C[NH2+]C[C@@H]3C#N)n1 ZINC000904081955 584840050 /nfs/dbraw/zinc/84/00/50/584840050.db2.gz ZPXIDSOZJKYMLA-XEVUQIKYSA-N 1 0 248.286 0.823 20 30 BCEDRO CN(C)c1noc(C2CC3(C2)C[NH2+]C[C@H]3C#N)n1 ZINC000904105378 584841344 /nfs/dbraw/zinc/84/13/44/584841344.db2.gz FUFNOCCIEXHDFT-NBBOBHDQSA-N 1 0 247.302 0.742 20 30 BCEDRO C=CCN(CC(=O)OCC)C[C@H]1C[C@@H]([NH3+])C1 ZINC000904310077 584862554 /nfs/dbraw/zinc/86/25/54/584862554.db2.gz VURDBOPFUJDACR-PHIMTYICSA-N 1 0 226.320 0.775 20 30 BCEDRO CCC(C)(C)[C@H](O)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876803221 584887180 /nfs/dbraw/zinc/88/71/80/584887180.db2.gz VMYQDMBQHCQQQZ-OPRDCNLKSA-N 1 0 239.319 0.011 20 30 BCEDRO C#CCCOC(=O)N1CCN(CCO)C[C@H]1C ZINC000859183997 589015487 /nfs/dbraw/zinc/01/54/87/589015487.db2.gz VXLVSVVNNICVRY-LLVKDONJSA-N 1 0 240.303 0.145 20 30 BCEDRO CCC[N@H+](C)CC(=O)Nc1nc(C#N)c(C#N)[n-]1 ZINC000730277421 584898456 /nfs/dbraw/zinc/89/84/56/584898456.db2.gz SLPBNRDEYNEIOY-UHFFFAOYSA-N 1 0 246.274 0.433 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCCn1cccn1 ZINC000730280005 584898882 /nfs/dbraw/zinc/89/88/82/584898882.db2.gz WRKQLAJUQXHGKP-LBPRGKRZSA-N 1 0 246.314 0.097 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)N2CCNC2=O)C1 ZINC000829773598 584907694 /nfs/dbraw/zinc/90/76/94/584907694.db2.gz GSPJRXUGPYQJES-NSHDSACASA-N 1 0 249.314 0.274 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831186113 584909087 /nfs/dbraw/zinc/90/90/87/584909087.db2.gz JKNORWDMBCSRBQ-NSHDSACASA-N 1 0 235.331 0.841 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCc2cocn2)CC1 ZINC000730762785 584915312 /nfs/dbraw/zinc/91/53/12/584915312.db2.gz DFEGGAYKKVCCTA-UHFFFAOYSA-N 1 0 247.298 0.636 20 30 BCEDRO C#C[C@H](CC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000754358025 584917742 /nfs/dbraw/zinc/91/77/42/584917742.db2.gz SMQISTUEDOABFN-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO Cc1nc2c(s1)C(=NNC(N)=[NH2+])CCC2 ZINC000730945870 584920417 /nfs/dbraw/zinc/92/04/17/584920417.db2.gz TUFDGARYKYMLIH-UHFFFAOYSA-N 1 0 223.305 0.975 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000731844820 584929472 /nfs/dbraw/zinc/92/94/72/584929472.db2.gz VZVRIMXLYWCFDA-CQSZACIVSA-N 1 0 246.310 0.233 20 30 BCEDRO C#CCCNC(=O)NCC[N@@H+](C)C(C)C ZINC000733347444 584947015 /nfs/dbraw/zinc/94/70/15/584947015.db2.gz YFYAXAIHPHTVJJ-UHFFFAOYSA-N 1 0 211.309 0.649 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H](O)CC ZINC000733997643 584956177 /nfs/dbraw/zinc/95/61/77/584956177.db2.gz SZCVZSPQUFYLMK-NWDGAFQWSA-N 1 0 238.331 0.361 20 30 BCEDRO CN(C)c1ncc(C=NNC(N)=[NH2+])s1 ZINC000755634424 584970394 /nfs/dbraw/zinc/97/03/94/584970394.db2.gz SNOQJPIFVIGIHL-UHFFFAOYSA-N 1 0 212.282 0.026 20 30 BCEDRO C#Cc1cncc(C(=O)NC[C@@H](C)C[NH+](C)C)c1 ZINC000816832415 584981674 /nfs/dbraw/zinc/98/16/74/584981674.db2.gz AAUUJJFRYDVHPN-LLVKDONJSA-N 1 0 245.326 0.990 20 30 BCEDRO CON=CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000774434373 585030764 /nfs/dbraw/zinc/03/07/64/585030764.db2.gz MMIGVXXEHVKEDM-SCZZXKLOSA-N 1 0 225.292 0.218 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NCCC#N ZINC000838573872 585061075 /nfs/dbraw/zinc/06/10/75/585061075.db2.gz TZLMJCUMMPUVBO-SNVBAGLBSA-N 1 0 224.308 0.636 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)CCF ZINC000838622170 585063898 /nfs/dbraw/zinc/06/38/98/585063898.db2.gz NOOYCDJFFGXTHY-UHFFFAOYSA-N 1 0 229.299 0.552 20 30 BCEDRO C=CCONC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000838707831 585065855 /nfs/dbraw/zinc/06/58/55/585065855.db2.gz RRSAQUDBTIAAPI-NSHDSACASA-N 1 0 239.319 0.888 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000838707830 585065892 /nfs/dbraw/zinc/06/58/92/585065892.db2.gz RRSAQUDBTIAAPI-LLVKDONJSA-N 1 0 239.319 0.888 20 30 BCEDRO C=CCONC(=O)N[C@@H](C)C[NH+](C)C ZINC000838713820 585067459 /nfs/dbraw/zinc/06/74/59/585067459.db2.gz SZPPSJITWFFZQE-QMMMGPOBSA-N 1 0 201.270 0.353 20 30 BCEDRO C=CCONC(=O)NC[C@H](C)[NH+](C)C ZINC000838716187 585067608 /nfs/dbraw/zinc/06/76/08/585067608.db2.gz ZYOCVEGAHGXIIQ-QMMMGPOBSA-N 1 0 201.270 0.353 20 30 BCEDRO C#CC[N@H+](CC#CC)CCC(=O)N1CCCC1 ZINC000838854943 585075313 /nfs/dbraw/zinc/07/53/13/585075313.db2.gz SGINRIKNGSTQJD-UHFFFAOYSA-N 1 0 232.327 0.957 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)COC)CC1 ZINC000740735951 585106032 /nfs/dbraw/zinc/10/60/32/585106032.db2.gz WVKSIKAARNTBKI-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C=CC1CC[NH+](CCS(N)(=O)=O)CC1 ZINC000740877438 585107637 /nfs/dbraw/zinc/10/76/37/585107637.db2.gz NIDZBJYXYUAGKW-UHFFFAOYSA-N 1 0 218.322 0.173 20 30 BCEDRO CC(C)S(=O)(=O)NN=C1CC[N@H+](C)[C@H](C)C1 ZINC000741459851 585113328 /nfs/dbraw/zinc/11/33/28/585113328.db2.gz IKNXGRHRCUZZIO-SECBINFHSA-N 1 0 247.364 0.784 20 30 BCEDRO C[C@@H]1CC(N=NCCS(C)(=O)=O)CC[N@@H+]1C ZINC000741460811 585114537 /nfs/dbraw/zinc/11/45/37/585114537.db2.gz QGECSBSSWDDHKE-SECBINFHSA-N 1 0 247.364 0.091 20 30 BCEDRO Cc1cc(O)c(C=NNC(N)=[NH2+])cc1C ZINC000741760516 585117723 /nfs/dbraw/zinc/11/77/23/585117723.db2.gz ZWRPFIANGKXGBN-UHFFFAOYSA-N 1 0 206.249 0.826 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)COCC)CC1 ZINC000742180345 585122653 /nfs/dbraw/zinc/12/26/53/585122653.db2.gz UKXDPPXGEDSGMG-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000886365192 585134672 /nfs/dbraw/zinc/13/46/72/585134672.db2.gz BTPZVANDSKOYMV-STQMWFEESA-N 1 0 237.343 0.998 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC000743490673 585137633 /nfs/dbraw/zinc/13/76/33/585137633.db2.gz SXTCNAUGDUCBDX-NSHDSACASA-N 1 0 233.315 0.750 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000745717785 585160547 /nfs/dbraw/zinc/16/05/47/585160547.db2.gz AQNBXHGWGZGKDC-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO CCOC[C@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000747966974 585186538 /nfs/dbraw/zinc/18/65/38/585186538.db2.gz PQZOWLXJLIUUOV-NSHDSACASA-N 1 0 239.319 0.375 20 30 BCEDRO CNC(NC[C@H](CO)Cc1ccccc1)=[NH+]C ZINC000750541890 585217199 /nfs/dbraw/zinc/21/71/99/585217199.db2.gz CXVBDSLPHWXZBV-GFCCVEGCSA-N 1 0 235.331 0.632 20 30 BCEDRO CNC(NC[C@@H](CO)Cc1ccccc1)=[NH+]C ZINC000750541891 585217277 /nfs/dbraw/zinc/21/72/77/585217277.db2.gz CXVBDSLPHWXZBV-LBPRGKRZSA-N 1 0 235.331 0.632 20 30 BCEDRO CS/C=C\C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000751577975 585233374 /nfs/dbraw/zinc/23/33/74/585233374.db2.gz HOAYFTDJNOELIB-BAQGIRSFSA-N 1 0 239.344 0.967 20 30 BCEDRO C[C@H]1C[N@H+](CC(=O)NCCC#N)C[C@H]1C ZINC000752077300 585241631 /nfs/dbraw/zinc/24/16/31/585241631.db2.gz XKLFNVVCFAFPFN-AOOOYVTPSA-N 1 0 209.293 0.604 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](C)SC ZINC000752267559 585244227 /nfs/dbraw/zinc/24/42/27/585244227.db2.gz CLKKJCSJTKVTSN-QWRGUYRKSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCOCCNC(=O)Nc1ccnc(C)c1 ZINC000752773099 585249972 /nfs/dbraw/zinc/24/99/72/585249972.db2.gz UVYKEEJLUFAMPG-UHFFFAOYSA-N 1 0 233.271 0.583 20 30 BCEDRO C=C(CO)C(=O)N[C@H](C)C[N@@H+](C)CCCC ZINC000753017788 585252257 /nfs/dbraw/zinc/25/22/57/585252257.db2.gz JLFIISUBUUOMHZ-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C#CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000753903073 585271694 /nfs/dbraw/zinc/27/16/94/585271694.db2.gz UGFLHBRTGWCPGP-NSHDSACASA-N 1 0 224.304 0.093 20 30 BCEDRO C[C@@H]1CN(C)CC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000753927124 585272192 /nfs/dbraw/zinc/27/21/92/585272192.db2.gz AKXLWPUIOJSXFV-MXWKQRLJSA-N 1 0 249.362 0.784 20 30 BCEDRO C#CC(=O)NCc1cccc(OCC[NH+](C)C)c1 ZINC000754001209 585274949 /nfs/dbraw/zinc/27/49/49/585274949.db2.gz UFDLCXFJZVCRRU-UHFFFAOYSA-N 1 0 246.310 0.876 20 30 BCEDRO C#CC(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000754063558 585275870 /nfs/dbraw/zinc/27/58/70/585275870.db2.gz JAXFLMVKNVMRDW-JTQLQIEISA-N 1 0 212.293 0.093 20 30 BCEDRO C#CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000754045569 585276165 /nfs/dbraw/zinc/27/61/65/585276165.db2.gz JYSJBDMMRMMDBM-NSHDSACASA-N 1 0 206.289 0.564 20 30 BCEDRO C#CC(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000754055228 585276608 /nfs/dbraw/zinc/27/66/08/585276608.db2.gz BABIOEVDUDYBJT-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CCCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000755211596 585296148 /nfs/dbraw/zinc/29/61/48/585296148.db2.gz KDRQUDFSWLZOKM-LBPRGKRZSA-N 1 0 208.305 0.416 20 30 BCEDRO Cc1nn(-c2ccccc2)cc1C=NNC(N)=[NH2+] ZINC000755634560 585303015 /nfs/dbraw/zinc/30/30/15/585303015.db2.gz WGCIFZQQBAGRER-UHFFFAOYSA-N 1 0 242.286 0.998 20 30 BCEDRO C[C@@H](CO)N=NC1C[N@@H+](C2CC2)C[C@H]1C ZINC000755891473 585309284 /nfs/dbraw/zinc/30/92/84/585309284.db2.gz HAUFNEWSCYDVND-BDAKNGLRSA-N 1 0 211.309 0.427 20 30 BCEDRO C#CCOCCC(=O)NCCCC[NH+](C)C ZINC000755901790 585309819 /nfs/dbraw/zinc/30/98/19/585309819.db2.gz CFBAEOPPPHUNQO-UHFFFAOYSA-N 1 0 226.320 0.484 20 30 BCEDRO C#CCOCCC(=O)NCc1c[nH]cn1 ZINC000755915100 585310358 /nfs/dbraw/zinc/31/03/58/585310358.db2.gz ICCKHAIEDNLLFR-UHFFFAOYSA-N 1 0 207.233 0.066 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C1=COCC1 ZINC000756542425 585321058 /nfs/dbraw/zinc/32/10/58/585321058.db2.gz INRSNZRYHBMABO-LBPRGKRZSA-N 1 0 235.283 0.931 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCCNC1=O)[C@H]1CCCO1 ZINC000839563302 585331191 /nfs/dbraw/zinc/33/11/91/585331191.db2.gz HAVRUUQUNJYMJX-GARJFASQSA-N 1 0 222.288 0.035 20 30 BCEDRO C#CCCC[N@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC000839629499 585332843 /nfs/dbraw/zinc/33/28/43/585332843.db2.gz AAGRWHVMSZRQJA-LBPRGKRZSA-N 1 0 238.331 0.436 20 30 BCEDRO C#CCNC(=O)C[N@H+](C)CCC1CCOCC1 ZINC000757838195 585345543 /nfs/dbraw/zinc/34/55/43/585345543.db2.gz CNCIMEHRMOOOPC-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C=CC[C@@H](CO)NC(=S)NCCC[NH+](C)C ZINC000757959021 585347692 /nfs/dbraw/zinc/34/76/92/585347692.db2.gz NDUVBQGOGCUWBE-JTQLQIEISA-N 1 0 245.392 0.339 20 30 BCEDRO C#CCOCC[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000758145957 585350517 /nfs/dbraw/zinc/35/05/17/585350517.db2.gz FTHSGYVQSCUYFE-CYBMUJFWSA-N 1 0 246.310 0.322 20 30 BCEDRO C#CCNC(=S)NCCCn1ccnc1 ZINC000758171563 585351094 /nfs/dbraw/zinc/35/10/94/585351094.db2.gz HDAZITRZUFPDPV-UHFFFAOYSA-N 1 0 222.317 0.371 20 30 BCEDRO Cc1ccn(CN(C)[C@H]2CCOC2)c(=O)c1C#N ZINC000758228327 585352175 /nfs/dbraw/zinc/35/21/75/585352175.db2.gz XZXZSCFJPHLSSF-NSHDSACASA-N 1 0 247.298 0.707 20 30 BCEDRO C#CCNC(=S)N1CC[C@H](C[NH+](C)C)C1 ZINC000758229413 585352539 /nfs/dbraw/zinc/35/25/39/585352539.db2.gz HPUGDMOOVAQQOE-SNVBAGLBSA-N 1 0 225.361 0.378 20 30 BCEDRO C#CCNC(=S)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000758241233 585352746 /nfs/dbraw/zinc/35/27/46/585352746.db2.gz ZQJDBFRGWSHTDY-NSHDSACASA-N 1 0 239.388 0.766 20 30 BCEDRO COc1cc(Cl)cc(C=NNC(N)=[NH2+])c1O ZINC000758870317 585361043 /nfs/dbraw/zinc/36/10/43/585361043.db2.gz UTQLMQAZRVDDFG-UHFFFAOYSA-N 1 0 242.666 0.871 20 30 BCEDRO C#CCCOC(=O)N(C)CC1C[NH+](C)C1 ZINC000859221288 589021251 /nfs/dbraw/zinc/02/12/51/589021251.db2.gz MHYYNMBZDBKISP-UHFFFAOYSA-N 1 0 210.277 0.640 20 30 BCEDRO C#CCCCC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000760293975 585389520 /nfs/dbraw/zinc/38/95/20/585389520.db2.gz AONDTBJKBDWRRB-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCC[NH+]1CCC(OCCC(=O)NC)CC1 ZINC000760843770 585399415 /nfs/dbraw/zinc/39/94/15/585399415.db2.gz MPGFPZZBCFVGGO-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCC[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000760846611 585399597 /nfs/dbraw/zinc/39/95/97/585399597.db2.gz IGRIOIKMBRMAJP-UHFFFAOYSA-N 1 0 244.360 0.366 20 30 BCEDRO C#CCC[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000760877536 585400700 /nfs/dbraw/zinc/40/07/00/585400700.db2.gz WNLAPAXENPZFJA-NSHDSACASA-N 1 0 225.288 0.256 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CCCSCC1 ZINC000761015771 585403767 /nfs/dbraw/zinc/40/37/67/585403767.db2.gz MCIMXBSNXDMXIA-UHFFFAOYSA-N 1 0 227.333 0.455 20 30 BCEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761089588 585408085 /nfs/dbraw/zinc/40/80/85/585408085.db2.gz JEFDBWATNGEVKY-NWDGAFQWSA-N 1 0 246.314 0.737 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761092057 585408209 /nfs/dbraw/zinc/40/82/09/585408209.db2.gz WJORBAHRJGLUME-WDEREUQCSA-N 1 0 221.304 0.843 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000761109883 585410384 /nfs/dbraw/zinc/41/03/84/585410384.db2.gz PXZCLOLYLXSNQI-IUCAKERBSA-N 1 0 230.258 0.711 20 30 BCEDRO C[C@H]1CC(N=Nc2cccnn2)C[N@@H+]1C ZINC000761812763 585418692 /nfs/dbraw/zinc/41/86/92/585418692.db2.gz OMDMHIGRLDYTQI-QMMMGPOBSA-N 1 0 205.265 0.969 20 30 BCEDRO C[C@@H]1CC(N=Nc2ccc(C(N)=O)nn2)C[N@@H+]1C ZINC000761816751 585419298 /nfs/dbraw/zinc/41/92/98/585419298.db2.gz GNSGKNIZGUTQLX-SSDOTTSWSA-N 1 0 248.290 0.067 20 30 BCEDRO C[C@H](CC#N)NC(=O)C1([NH+](C)C)CCC1 ZINC000763030159 585441804 /nfs/dbraw/zinc/44/18/04/585441804.db2.gz OSTFJVXUZVQMKI-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO C[C@H]1CC(NC(=O)C[NH+]2CCC(C)CC2)=NO1 ZINC000763261401 585445418 /nfs/dbraw/zinc/44/54/18/585445418.db2.gz RCQVQRQFABBKBR-JTQLQIEISA-N 1 0 239.319 0.957 20 30 BCEDRO COc1nccnc1N=NC1C[C@H](C)[N@H+](C)C1 ZINC000763412206 585447475 /nfs/dbraw/zinc/44/74/75/585447475.db2.gz OFIYCORHUUYIIR-QMMMGPOBSA-N 1 0 235.291 0.977 20 30 BCEDRO C#CC[N@@H+](CCN1CCOC1=O)C1CC1 ZINC000763949521 585457654 /nfs/dbraw/zinc/45/76/54/585457654.db2.gz MUFUEBXPCRKUAC-UHFFFAOYSA-N 1 0 208.261 0.536 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ccn(C)n1 ZINC000763986732 585458246 /nfs/dbraw/zinc/45/82/46/585458246.db2.gz MEPYWOQIKKNYOH-UHFFFAOYSA-N 1 0 208.265 0.476 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](C)C1 ZINC000764037729 585459006 /nfs/dbraw/zinc/45/90/06/585459006.db2.gz LMODIHVOFXWXLZ-JTQLQIEISA-N 1 0 212.293 0.352 20 30 BCEDRO C#CCCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000764249259 585462987 /nfs/dbraw/zinc/46/29/87/585462987.db2.gz SDFXXNKQKYEMNV-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)CC(=O)NCC ZINC000764416011 585464996 /nfs/dbraw/zinc/46/49/96/585464996.db2.gz FYRDRITYOBYKJO-UHFFFAOYSA-N 1 0 241.335 0.089 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC1(O)CCCCC1 ZINC000764541010 585467628 /nfs/dbraw/zinc/46/76/28/585467628.db2.gz UBFJUGNGGFCZBF-UHFFFAOYSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccc[nH]1 ZINC000764576724 585468147 /nfs/dbraw/zinc/46/81/47/585468147.db2.gz TXCBDUQTLHCZEA-UHFFFAOYSA-N 1 0 207.277 0.749 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000764583843 585468332 /nfs/dbraw/zinc/46/83/32/585468332.db2.gz ATFDYESQDUFTIV-VXGBXAGGSA-N 1 0 218.300 0.422 20 30 BCEDRO CC#CC(=O)N1CCC([N@H+](C)CCCO)CC1 ZINC000764622605 585469184 /nfs/dbraw/zinc/46/91/84/585469184.db2.gz CKXMMTZNUOMMCW-UHFFFAOYSA-N 1 0 238.331 0.315 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)C(C)C ZINC000764629583 585469381 /nfs/dbraw/zinc/46/93/81/585469381.db2.gz KXSRWTQMCBOESP-JTQLQIEISA-N 1 0 214.309 0.237 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1CO ZINC000764625661 585469386 /nfs/dbraw/zinc/46/93/86/585469386.db2.gz WOFRNMADAIDZGF-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)C(C)(C)C ZINC000764625670 585469436 /nfs/dbraw/zinc/46/94/36/585469436.db2.gz WXHOOALSIKOIRC-UHFFFAOYSA-N 1 0 226.320 0.836 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)[C@@H](C)CC ZINC000764633075 585469619 /nfs/dbraw/zinc/46/96/19/585469619.db2.gz XISNRZRKJOXPEN-GXSJLCMTSA-N 1 0 228.336 0.627 20 30 BCEDRO C[C@H]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)=NO1 ZINC000765372726 585484430 /nfs/dbraw/zinc/48/44/30/585484430.db2.gz NHQWCNCCFICPRE-DTWKUNHWSA-N 1 0 225.292 0.709 20 30 BCEDRO C[C@@H]1CC(NC(=O)CCCC[NH+](C)C)=NO1 ZINC000765372734 585484434 /nfs/dbraw/zinc/48/44/34/585484434.db2.gz NVDOKPHDLOPHLK-SECBINFHSA-N 1 0 227.308 0.957 20 30 BCEDRO C[C@@H]1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)=NO1 ZINC000765372728 585484495 /nfs/dbraw/zinc/48/44/95/585484495.db2.gz NHQWCNCCFICPRE-RKDXNWHRSA-N 1 0 225.292 0.709 20 30 BCEDRO CCC[N@H+](C)CC(=O)NC1=NO[C@@H](C)C1 ZINC000765384668 585485285 /nfs/dbraw/zinc/48/52/85/585485285.db2.gz POCKPXWLVJODRP-QMMMGPOBSA-N 1 0 213.281 0.567 20 30 BCEDRO CCN(CCC#N)[C@@H]1CCC(=O)NC1=O ZINC000765965609 585494458 /nfs/dbraw/zinc/49/44/58/585494458.db2.gz RDDIMEMAHAIQLR-MRVPVSSYSA-N 1 0 209.249 0.027 20 30 BCEDRO CC(C)(C#N)CNC(=[NH2+])NCC(F)F ZINC000887356349 585497376 /nfs/dbraw/zinc/49/73/76/585497376.db2.gz AAFHXTVBINZBJD-UHFFFAOYSA-N 1 0 204.224 0.915 20 30 BCEDRO C#CCNC(=O)CN1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000766254321 585499238 /nfs/dbraw/zinc/49/92/38/585499238.db2.gz OROQCERKUPQOPK-NEPJUHHUSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCNC(=O)CN1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000766254322 585499900 /nfs/dbraw/zinc/49/99/00/585499900.db2.gz OROQCERKUPQOPK-NWDGAFQWSA-N 1 0 237.347 0.150 20 30 BCEDRO CCO[C@@H]1CCCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000766455961 585502820 /nfs/dbraw/zinc/50/28/20/585502820.db2.gz VTPQXVBNVNQBSX-WCBMZHEXSA-N 1 0 224.308 0.869 20 30 BCEDRO C#CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000805333450 585505572 /nfs/dbraw/zinc/50/55/72/585505572.db2.gz JPOZURCVDMOJCR-GHMZBOCLSA-N 1 0 206.289 0.705 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccn(-c2ccccc2)n1 ZINC000766690852 585505700 /nfs/dbraw/zinc/50/57/00/585505700.db2.gz KNHYNLGTQJGSOS-UHFFFAOYSA-N 1 0 228.259 0.689 20 30 BCEDRO C#CCCC[N@@H+](C)CCN1CCOCC1 ZINC000766894768 585508809 /nfs/dbraw/zinc/50/88/09/585508809.db2.gz GTLIWODBRSKDPS-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO C#CCCC[NH+]1CCN(Cc2cnn(C)c2)CC1 ZINC000766900557 585510146 /nfs/dbraw/zinc/51/01/46/585510146.db2.gz MROOAOGJFCJLMS-UHFFFAOYSA-N 1 0 246.358 0.951 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000766906486 585511257 /nfs/dbraw/zinc/51/12/57/585511257.db2.gz QSSIIHBDARUKJX-LBPRGKRZSA-N 1 0 235.331 0.889 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NCCC#N)C[C@H]1C ZINC000766984474 585512646 /nfs/dbraw/zinc/51/26/46/585512646.db2.gz KUGCMXSHPCGMPI-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(OC(C)=O)CC1 ZINC000767121136 585514483 /nfs/dbraw/zinc/51/44/83/585514483.db2.gz ZZFBXWMSWXYPDO-LBPRGKRZSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1CCO ZINC000767592168 585522750 /nfs/dbraw/zinc/52/27/50/585522750.db2.gz GHBLEFYAKFZBNB-NWDGAFQWSA-N 1 0 229.320 0.397 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1CCO ZINC000767592169 585522970 /nfs/dbraw/zinc/52/29/70/585522970.db2.gz GHBLEFYAKFZBNB-RYUDHWBXSA-N 1 0 229.320 0.397 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@H]1c1ccncc1 ZINC000767586370 585522992 /nfs/dbraw/zinc/52/29/92/585522992.db2.gz WBECXRJYAAUPOC-ZDUSSCGKSA-N 1 0 243.310 0.968 20 30 BCEDRO C#CC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000769139503 585549698 /nfs/dbraw/zinc/54/96/98/585549698.db2.gz GQIVXSBDFQVJFB-UHFFFAOYSA-N 1 0 206.289 0.706 20 30 BCEDRO COc1cc(C=NNC(N)=[NH2+])ccc1[N+](=O)[O-] ZINC000770595515 585577152 /nfs/dbraw/zinc/57/71/52/585577152.db2.gz DTXIRVQPRJXDAL-UHFFFAOYSA-N 1 0 237.219 0.420 20 30 BCEDRO C[C@@H]1CC(=NOCC(N)=O)C[N@@H+]1C1CC1 ZINC000771571489 585596703 /nfs/dbraw/zinc/59/67/03/585596703.db2.gz BFOIVIMTCJUAMI-SSDOTTSWSA-N 1 0 211.265 0.101 20 30 BCEDRO CC(=[NH+]OCC(N)=O)c1ccc(N(C)C)cc1 ZINC000771571904 585596711 /nfs/dbraw/zinc/59/67/11/585596711.db2.gz JZFUOSXLBVLIPV-UHFFFAOYSA-N 1 0 235.287 0.979 20 30 BCEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](CO)C1CC1 ZINC000771811866 585601094 /nfs/dbraw/zinc/60/10/94/585601094.db2.gz FDYVKODBOGFYKU-NSHDSACASA-N 1 0 239.319 0.109 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H](CO)C2CC2)cc1 ZINC000771813413 585601098 /nfs/dbraw/zinc/60/10/98/585601098.db2.gz ONTGAQBVKFNPLU-ZIAGYGMSSA-N 1 0 246.310 0.952 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OC[C@@H](C)CO)CC1 ZINC000772112899 585608640 /nfs/dbraw/zinc/60/86/40/585608640.db2.gz BYFSAKYDUJJJGR-NSHDSACASA-N 1 0 239.315 0.503 20 30 BCEDRO C=Cn1cc(C=NNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000773078054 585630852 /nfs/dbraw/zinc/63/08/52/585630852.db2.gz FERVTMVXTKABKG-MRVPVSSYSA-N 1 0 218.264 0.255 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000773595513 585641324 /nfs/dbraw/zinc/64/13/24/585641324.db2.gz BXXITQQEJZQFSU-SDDRHHMPSA-N 1 0 235.331 0.934 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000773596317 585641368 /nfs/dbraw/zinc/64/13/68/585641368.db2.gz AYEDJZBCSVQBND-GARJFASQSA-N 1 0 223.320 0.790 20 30 BCEDRO CC[N@@H+]1CC[C@H](N(C)C(=O)C=NOC)[C@H](C)C1 ZINC000773990915 585647782 /nfs/dbraw/zinc/64/77/82/585647782.db2.gz HNXHISHRPIPSOW-MNOVXSKESA-N 1 0 241.335 0.807 20 30 BCEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C=NOC)[C@@H](C)C1 ZINC000773990923 585647967 /nfs/dbraw/zinc/64/79/67/585647967.db2.gz HNXHISHRPIPSOW-WDEREUQCSA-N 1 0 241.335 0.807 20 30 BCEDRO CON=CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000774001487 585648031 /nfs/dbraw/zinc/64/80/31/585648031.db2.gz HEXOLVGTVMLGPZ-SECBINFHSA-N 1 0 213.281 0.171 20 30 BCEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)C=NOC)C1 ZINC000774014121 585648430 /nfs/dbraw/zinc/64/84/30/585648430.db2.gz OENRITCKKRLJNZ-JTQLQIEISA-N 1 0 227.308 0.419 20 30 BCEDRO CON=CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000774024569 585648522 /nfs/dbraw/zinc/64/85/22/585648522.db2.gz NHIFGZZTRXDOFC-ZJUUUORDSA-N 1 0 227.308 0.608 20 30 BCEDRO CON=CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000774019856 585648600 /nfs/dbraw/zinc/64/86/00/585648600.db2.gz RJWZAYJNQOYQMZ-ZJUUUORDSA-N 1 0 225.292 0.314 20 30 BCEDRO CON=CC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000774386130 585657111 /nfs/dbraw/zinc/65/71/11/585657111.db2.gz NGQJBBFSOIFCAO-SNVBAGLBSA-N 1 0 227.308 0.609 20 30 BCEDRO CON=CC(=O)NCC[N@@H+]1CCCC[C@@H]1C ZINC000774377436 585657194 /nfs/dbraw/zinc/65/71/94/585657194.db2.gz UMGVOBYKQCGGJE-JTQLQIEISA-N 1 0 227.308 0.609 20 30 BCEDRO Cn1[nH]ccc1=NN=C1CC[N@@H+]2CCC[C@H]12 ZINC000774413380 585657921 /nfs/dbraw/zinc/65/79/21/585657921.db2.gz OOGSJAAYZJMJKP-SNVBAGLBSA-N 1 0 219.292 0.478 20 30 BCEDRO CON=CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000774441648 585659239 /nfs/dbraw/zinc/65/92/39/585659239.db2.gz NFHNQCRFLRBNQN-GHMZBOCLSA-N 1 0 239.319 0.561 20 30 BCEDRO C#C[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CCCO1 ZINC000775353043 585676630 /nfs/dbraw/zinc/67/66/30/585676630.db2.gz ZNPBMQAHIUPPNK-SDDRHHMPSA-N 1 0 238.331 0.624 20 30 BCEDRO C#C[C@H]([NH2+]CCC1OCCCO1)[C@H]1CCCO1 ZINC000775794816 585685053 /nfs/dbraw/zinc/68/50/53/585685053.db2.gz KHMQGIIGNOWAPR-NWDGAFQWSA-N 1 0 239.315 0.910 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)COC(C)C)[C@H]1CCCO1 ZINC000775799766 585685074 /nfs/dbraw/zinc/68/50/74/585685074.db2.gz MKOPZQSXJQNHJX-RWMBFGLXSA-N 1 0 241.331 0.543 20 30 BCEDRO C#C[C@@H]([NH2+]CC1(O)CCOCC1)[C@H]1CCCO1 ZINC000775794861 585685348 /nfs/dbraw/zinc/68/53/48/585685348.db2.gz KXEFQEKHTFISHF-VXGBXAGGSA-N 1 0 239.315 0.298 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[NH+](C)C)[C@@H]1CCCO1 ZINC000776228044 585693789 /nfs/dbraw/zinc/69/37/89/585693789.db2.gz NZEDDMYKMJZTAZ-MNOVXSKESA-N 1 0 239.319 0.028 20 30 BCEDRO C#CCC[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000776594272 585702388 /nfs/dbraw/zinc/70/23/88/585702388.db2.gz BKJYHLKSWTWZJA-UHFFFAOYSA-N 1 0 217.316 0.931 20 30 BCEDRO C#CCC[NH+]1CCN(CCN2CCCC2=O)CC1 ZINC000776592787 585702438 /nfs/dbraw/zinc/70/24/38/585702438.db2.gz MZRSUZPGRSEFAO-UHFFFAOYSA-N 1 0 249.358 0.250 20 30 BCEDRO C#CCCN1CC[NH+](CC2(C)COC2)CC1 ZINC000776592895 585702493 /nfs/dbraw/zinc/70/24/93/585702493.db2.gz PFLCQGBPGKMMKN-UHFFFAOYSA-N 1 0 222.332 0.664 20 30 BCEDRO C#CCOc1ccc(C[NH2+]CCC(N)=O)cc1 ZINC000776931660 585706735 /nfs/dbraw/zinc/70/67/35/585706735.db2.gz HCXGPUHIZZFOBI-UHFFFAOYSA-N 1 0 232.283 0.664 20 30 BCEDRO C[C@H]1CC(NC(=O)C2CC[NH+](C)CC2)=NO1 ZINC000777436160 585711894 /nfs/dbraw/zinc/71/18/94/585711894.db2.gz MJEASROJVMWYFM-QMMMGPOBSA-N 1 0 225.292 0.567 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc([N+](=O)[O-])cc1F ZINC000777881754 585722208 /nfs/dbraw/zinc/72/22/08/585722208.db2.gz IVGJMXBKNSHQJU-UHFFFAOYSA-N 1 0 225.183 0.551 20 30 BCEDRO C=CCN(C)CCCS(=O)(=O)CCOC ZINC000778167976 585726821 /nfs/dbraw/zinc/72/68/21/585726821.db2.gz ZGKNWNUKJNDDQT-UHFFFAOYSA-N 1 0 235.349 0.556 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000779781026 585762549 /nfs/dbraw/zinc/76/25/49/585762549.db2.gz AHDOPEDOEQTURP-SECBINFHSA-N 1 0 232.287 0.966 20 30 BCEDRO CC(Cc1ccncc1)=NNC1=[NH+][C@H](C)CN1 ZINC000779791710 585763741 /nfs/dbraw/zinc/76/37/41/585763741.db2.gz FLUHKYLCTGYLFG-SNVBAGLBSA-N 1 0 231.303 0.937 20 30 BCEDRO CCn1cc(C(C)=NNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000779790855 585763804 /nfs/dbraw/zinc/76/38/04/585763804.db2.gz BDLGXHOTMHFPBR-MRVPVSSYSA-N 1 0 234.307 0.564 20 30 BCEDRO CC[C@@H]1CC(=NNC2=[NH+][C@@H](C)CN2)CCO1 ZINC000779791464 585763872 /nfs/dbraw/zinc/76/38/72/585763872.db2.gz CXFAXRKXHGJLGS-WCBMZHEXSA-N 1 0 224.308 0.869 20 30 BCEDRO COc1cc(C=NNC2=[NH+]C[C@H](C)N2)ccc1O ZINC000779791648 585763921 /nfs/dbraw/zinc/76/39/21/585763921.db2.gz DUSRPSBLCGTWEI-QMMMGPOBSA-N 1 0 248.286 0.672 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cn3cccnc3n2)N1 ZINC000779792544 585763998 /nfs/dbraw/zinc/76/39/98/585763998.db2.gz SSSQKXJUDMCUMD-QMMMGPOBSA-N 1 0 243.274 0.001 20 30 BCEDRO Cc1nc(C=NNC2=[NH+]C[C@H](C)N2)cs1 ZINC000779793289 585764045 /nfs/dbraw/zinc/76/40/45/585764045.db2.gz RVOWUAYWFPECEJ-LURJTMIESA-N 1 0 223.305 0.723 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc(C#N)o2)N1 ZINC000779792752 585764082 /nfs/dbraw/zinc/76/40/82/585764082.db2.gz TYHQAWRCPUIBQW-SSDOTTSWSA-N 1 0 217.232 0.422 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@H]1CCOC1 ZINC000779795017 585764236 /nfs/dbraw/zinc/76/42/36/585764236.db2.gz OREQFOCPURGJKL-APPZFPTMSA-N 1 0 210.281 0.336 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc(F)cn1 ZINC000779794986 585764349 /nfs/dbraw/zinc/76/43/49/585764349.db2.gz NWBJVEXNIZVOIF-ZETCQYMHSA-N 1 0 235.266 0.882 20 30 BCEDRO C1C[C@@H]2C(N=N[C@H]3CCCOC3)CC[N@@H+]2C1 ZINC000780261082 585775730 /nfs/dbraw/zinc/77/57/30/585775730.db2.gz KOBHTORFZQAHSX-CMPLNLGQSA-N 1 0 223.320 0.979 20 30 BCEDRO C#CCC[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000780326400 585777894 /nfs/dbraw/zinc/77/78/94/585777894.db2.gz PNKLKRQHZSVVEZ-UHFFFAOYSA-N 1 0 218.304 0.998 20 30 BCEDRO COc1cc(C)c(C=NNC(N)=[NH2+])c(C)n1 ZINC000781590361 585799857 /nfs/dbraw/zinc/79/98/57/585799857.db2.gz YWXXJVHIYAHIEU-UHFFFAOYSA-N 1 0 221.264 0.524 20 30 BCEDRO COCC#CC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782002885 585806276 /nfs/dbraw/zinc/80/62/76/585806276.db2.gz BFQJNHHZGQUWAM-UHFFFAOYSA-N 1 0 238.287 0.211 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@@]1(C)CCCO1 ZINC000782266608 585813358 /nfs/dbraw/zinc/81/33/58/585813358.db2.gz BDDDXFYGAPEMDU-LDYMZIIASA-N 1 0 224.308 0.869 20 30 BCEDRO C=C(C)CNC(=S)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000782401676 585817337 /nfs/dbraw/zinc/81/73/37/585817337.db2.gz NIVYYWSQCPUNKU-PHIMTYICSA-N 1 0 239.388 0.930 20 30 BCEDRO CC[C@@]1(CO)CCC[N@@H+]1CC(=O)NCCC#N ZINC000784388139 585857942 /nfs/dbraw/zinc/85/79/42/585857942.db2.gz HXWQLDIDKBRRNY-LBPRGKRZSA-N 1 0 239.319 0.253 20 30 BCEDRO C[N@H+](CC(=O)NCCC#N)[C@H]1CC[C@H](O)CC1 ZINC000784394404 585858571 /nfs/dbraw/zinc/85/85/71/585858571.db2.gz MPGUYHYUSRQWMH-XYPYZODXSA-N 1 0 239.319 0.252 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)COc1ccccc1C#N ZINC000859275612 589026409 /nfs/dbraw/zinc/02/64/09/589026409.db2.gz PGOWOEFMXCKJIA-CYBMUJFWSA-N 1 0 244.294 0.863 20 30 BCEDRO C=CCC[N@@H+](C)CN1CC(=O)N(C)C1=O ZINC000786102442 585887561 /nfs/dbraw/zinc/88/75/61/585887561.db2.gz PSAIEKYUHXHMEA-UHFFFAOYSA-N 1 0 211.265 0.346 20 30 BCEDRO C#C[C@@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000787535358 585911241 /nfs/dbraw/zinc/91/12/41/585911241.db2.gz XRHHOWGDTPQKCI-SNVBAGLBSA-N 1 0 220.316 0.999 20 30 BCEDRO CC#CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000788304978 585921364 /nfs/dbraw/zinc/92/13/64/585921364.db2.gz DLNVBTRLSQEQOJ-LBPRGKRZSA-N 1 0 220.316 0.954 20 30 BCEDRO C[NH+](C)[C@H]1CCCC(=NOCC(N)=O)C1 ZINC000788437814 585923271 /nfs/dbraw/zinc/92/32/71/585923271.db2.gz VOPLRFQQOKJKRG-VIFPVBQESA-N 1 0 213.281 0.349 20 30 BCEDRO C1C[C@@H]2C(N=N[C@@H]3CCOC3)CC[N@@H+]2C1 ZINC000788447596 585924018 /nfs/dbraw/zinc/92/40/18/585924018.db2.gz OKNIQXWCOXMRNG-MWLCHTKSSA-N 1 0 209.293 0.589 20 30 BCEDRO C[C@H]1CC(N=N[C@@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000788449221 585924342 /nfs/dbraw/zinc/92/43/42/585924342.db2.gz WZXPRMSPKFUWGW-VHSXEESVSA-N 1 0 223.320 0.978 20 30 BCEDRO C#CCn1ccc(C[N@H+](CC)C[C@@H](C)CO)n1 ZINC000789332603 585939976 /nfs/dbraw/zinc/93/99/76/585939976.db2.gz UIKGLUKRUWWAJH-GFCCVEGCSA-N 1 0 235.331 0.967 20 30 BCEDRO COc1cccc(C=NNC2=[NH+]C[C@@H](C)N2)n1 ZINC000790175068 585959531 /nfs/dbraw/zinc/95/95/31/585959531.db2.gz YFPANJQSGQKZIW-MRVPVSSYSA-N 1 0 233.275 0.361 20 30 BCEDRO C=C(CO)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000791297970 585976444 /nfs/dbraw/zinc/97/64/44/585976444.db2.gz WHJANYUYCHNCDO-ZDUSSCGKSA-N 1 0 248.326 0.954 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CCCC)CC(N)=O ZINC000791321933 585977316 /nfs/dbraw/zinc/97/73/16/585977316.db2.gz INVMNDNVTAQXQN-UHFFFAOYSA-N 1 0 241.335 0.218 20 30 BCEDRO C=C(CO)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000791327469 585977604 /nfs/dbraw/zinc/97/76/04/585977604.db2.gz LMZYDGFFDCEKKG-WDEREUQCSA-N 1 0 224.304 0.278 20 30 BCEDRO C=C(CO)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000791336682 585977843 /nfs/dbraw/zinc/97/78/43/585977843.db2.gz QMICZNYVDGFPML-UHFFFAOYSA-N 1 0 248.326 0.783 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000791370432 585979387 /nfs/dbraw/zinc/97/93/87/585979387.db2.gz GAXCTSGDEUQEBS-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(CO)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000791388476 585979971 /nfs/dbraw/zinc/97/99/71/585979971.db2.gz WRYLGDLWXZNCJE-NXEZZACHSA-N 1 0 224.304 0.276 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](C)C[S@](C)=O ZINC000791393178 585980172 /nfs/dbraw/zinc/98/01/72/585980172.db2.gz AKILQZDPHJAEQZ-HWPZZCPQSA-N 1 0 246.376 0.330 20 30 BCEDRO C#CCOCCC(=O)OCCC[NH+](C)C ZINC000792068346 585995291 /nfs/dbraw/zinc/99/52/91/585995291.db2.gz BLVAOELWIYYRCY-UHFFFAOYSA-N 1 0 213.277 0.521 20 30 BCEDRO C=CC[N@H+](CCOC)CCN1CCOC1=O ZINC000792406694 586000170 /nfs/dbraw/zinc/00/01/70/586000170.db2.gz KSOCNYILDOOTTB-UHFFFAOYSA-N 1 0 228.292 0.573 20 30 BCEDRO C#CCNC(=S)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000793323853 586016745 /nfs/dbraw/zinc/01/67/45/586016745.db2.gz XEYHJWPJGONIGP-GFCCVEGCSA-N 1 0 237.372 0.522 20 30 BCEDRO CC(=N[N-]c1[nH+]ccn1C)c1cn[nH]c1 ZINC000794858996 586051618 /nfs/dbraw/zinc/05/16/18/586051618.db2.gz DENVPSNKCJUPGU-UHFFFAOYSA-N 1 0 204.237 0.979 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc2n[nH]cc2c1 ZINC000794888092 586053339 /nfs/dbraw/zinc/05/33/39/586053339.db2.gz KLBPNXCBBCJWOX-UHFFFAOYSA-N 1 0 216.248 0.770 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cccc(N2CCC2=O)c1 ZINC000794886962 586053622 /nfs/dbraw/zinc/05/36/22/586053622.db2.gz BJHHVSAZRJZLBY-UHFFFAOYSA-N 1 0 245.286 0.630 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000843076755 586137090 /nfs/dbraw/zinc/13/70/90/586137090.db2.gz JAAIHRJUXMBPPK-ZIAGYGMSSA-N 1 0 233.311 0.564 20 30 BCEDRO C=C(CO)C(=O)NCc1ccccc1C[NH+](C)C ZINC000798291579 586142454 /nfs/dbraw/zinc/14/24/54/586142454.db2.gz VCZWFDBMJWTNJE-UHFFFAOYSA-N 1 0 248.326 0.913 20 30 BCEDRO C#CCNC(=S)NC1(C[NH+](C)C)CCC1 ZINC000798374748 586143173 /nfs/dbraw/zinc/14/31/73/586143173.db2.gz BDAJAOPQVHGETN-UHFFFAOYSA-N 1 0 225.361 0.568 20 30 BCEDRO C#CCOCCC(=O)NC1(C[NH+](C)C)CCC1 ZINC000798574828 586145248 /nfs/dbraw/zinc/14/52/48/586145248.db2.gz VBXXYUFCYCEOJZ-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)Nc1nccn1C ZINC000839864804 586152566 /nfs/dbraw/zinc/15/25/66/586152566.db2.gz KLQGUUAUMHNSIN-JTQLQIEISA-N 1 0 232.287 0.456 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCN(CC=C)C1=O)[C@H]1CCCO1 ZINC000799167421 586163332 /nfs/dbraw/zinc/16/33/32/586163332.db2.gz XVYXCPICBJIIMR-YNEHKIRRSA-N 1 0 248.326 0.544 20 30 BCEDRO C#Cc1cncc(C(=O)N[C@@H]2CC[N@@H+](CC)C2)c1 ZINC000839898085 586212469 /nfs/dbraw/zinc/21/24/69/586212469.db2.gz BFIOONCZCLTXTP-CYBMUJFWSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CCCC[N@H+]1CCN(C[C@H](C)O)C[C@H]1C ZINC000800374497 586214325 /nfs/dbraw/zinc/21/43/25/586214325.db2.gz KTYFZVAAPPISEA-OLZOCXBDSA-N 1 0 224.348 0.787 20 30 BCEDRO CC#CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000801173875 586245107 /nfs/dbraw/zinc/24/51/07/586245107.db2.gz GAZGZVILVWNVRA-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCN(C)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000801635019 586267195 /nfs/dbraw/zinc/26/71/95/586267195.db2.gz CPWAJHUOCCBVSN-UHFFFAOYSA-N 1 0 249.318 0.542 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000801918151 586276243 /nfs/dbraw/zinc/27/62/43/586276243.db2.gz XHASSEMVPBXOTQ-QWRGUYRKSA-N 1 0 239.319 0.645 20 30 BCEDRO CNC(=O)CCC[N@H+](C)CCO[C@@H](C)C#N ZINC000801936618 586279376 /nfs/dbraw/zinc/27/93/76/586279376.db2.gz UGVIABMJSDZTNR-JTQLQIEISA-N 1 0 227.308 0.373 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@@]1(C)C(N)=O ZINC000801940347 586280065 /nfs/dbraw/zinc/28/00/65/586280065.db2.gz AEULURGBCGDCNF-JQWIXIFHSA-N 1 0 239.319 0.645 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)CCc1cnccn1 ZINC000801940993 586281080 /nfs/dbraw/zinc/28/10/80/586281080.db2.gz VZGZRYJUYPBGKX-LLVKDONJSA-N 1 0 234.303 0.880 20 30 BCEDRO C[C@H](C#N)OCCN1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000801940737 586281092 /nfs/dbraw/zinc/28/10/92/586281092.db2.gz QPACRWUHKBOLIY-GRYCIOLGSA-N 1 0 225.336 0.939 20 30 BCEDRO COC(=O)[C@@H]1CC[N@H+](CCO[C@@H](C)C#N)[C@@H]1C ZINC000801949248 586282164 /nfs/dbraw/zinc/28/21/64/586282164.db2.gz NKFXAQJWEQETQR-HBNTYKKESA-N 1 0 240.303 0.798 20 30 BCEDRO CC(C)OC[C@@H](CO)[N@H+](C)CCO[C@H](C)C#N ZINC000801951922 586282202 /nfs/dbraw/zinc/28/22/02/586282202.db2.gz ZQJSBKMEQAIYPK-VXGBXAGGSA-N 1 0 244.335 0.633 20 30 BCEDRO CC[N@H+](CCO[C@@H](C)C#N)[C@H]1CCNC1=O ZINC000801953328 586283268 /nfs/dbraw/zinc/28/32/68/586283268.db2.gz MSMULLHWSIAHQU-UWVGGRQHSA-N 1 0 225.292 0.125 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCc2cncn2C1 ZINC000804332606 586391065 /nfs/dbraw/zinc/39/10/65/586391065.db2.gz NLJZLPZZPXMUFH-NSHDSACASA-N 1 0 248.330 0.432 20 30 BCEDRO CC[N@@H+]1CCN(C(=O)C=NOC)[C@@H](C)C1 ZINC000804379494 586394165 /nfs/dbraw/zinc/39/41/65/586394165.db2.gz MEPHMTZTFSCZSW-VIFPVBQESA-N 1 0 213.281 0.171 20 30 BCEDRO C#Cc1cncc(C(=O)NCC[N@@H+](C)C2CC2)c1 ZINC000806584668 586415317 /nfs/dbraw/zinc/41/53/17/586415317.db2.gz PCSVWKAFBNFFGE-UHFFFAOYSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CCOCCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000807267102 586431184 /nfs/dbraw/zinc/43/11/84/586431184.db2.gz PNCBUAWOBGJPOM-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO Cc1ccccc1-n1cc(C=NNC(N)=[NH2+])nn1 ZINC000807961684 586453048 /nfs/dbraw/zinc/45/30/48/586453048.db2.gz AHOKJYOJWFTOME-UHFFFAOYSA-N 1 0 243.274 0.393 20 30 BCEDRO CCO[C@H]1CC(N=NC(N)=[NH2+])[C@@H]1SC ZINC000807962572 586453547 /nfs/dbraw/zinc/45/35/47/586453547.db2.gz ZOUWHWNXPYNTNU-BQBZGAKWSA-N 1 0 216.310 0.366 20 30 BCEDRO C[C@@H]1C[N@@H+](C2CC2)CC1N=Nc1nc[nH]n1 ZINC000807996995 586456466 /nfs/dbraw/zinc/45/64/66/586456466.db2.gz BAMWMRPOEXOYPT-SSDOTTSWSA-N 1 0 220.280 0.687 20 30 BCEDRO Cc1nnc([C@H]2CCC[N@H+](C[C@H](O)CC#N)C2)[nH]1 ZINC000809578852 586508031 /nfs/dbraw/zinc/50/80/31/586508031.db2.gz SIYBZHKLSIXUIM-WDEREUQCSA-N 1 0 249.318 0.567 20 30 BCEDRO COC(=O)[C@@]1(C)CC[N@H+](C[C@H](O)CC#N)C1 ZINC000809576853 586508084 /nfs/dbraw/zinc/50/80/84/586508084.db2.gz IAWOTIKONOFBKU-KOLCDFICSA-N 1 0 226.276 0.146 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCc2ccccc2[C@H]1CO ZINC000809575924 586508160 /nfs/dbraw/zinc/50/81/60/586508160.db2.gz GORSFFZVGZSAIW-TZMCWYRMSA-N 1 0 246.310 0.853 20 30 BCEDRO CON=CC(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000809619355 586509458 /nfs/dbraw/zinc/50/94/58/586509458.db2.gz SVZPUQNCHBPLEI-JTQLQIEISA-N 1 0 227.308 0.609 20 30 BCEDRO CCC[NH+]1CCC(CNC(=O)C=NOC)CC1 ZINC000809644280 586510533 /nfs/dbraw/zinc/51/05/33/586510533.db2.gz GGMMYWIHMCENBL-UHFFFAOYSA-N 1 0 241.335 0.857 20 30 BCEDRO CON=CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000809666056 586511575 /nfs/dbraw/zinc/51/15/75/586511575.db2.gz LYQKBIOKWRMSMA-UHFFFAOYSA-N 1 0 227.308 0.419 20 30 BCEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)C=NOC ZINC000809677568 586511735 /nfs/dbraw/zinc/51/17/35/586511735.db2.gz NOGCQLWOQRGECB-SNVBAGLBSA-N 1 0 227.308 0.609 20 30 BCEDRO CON=CC(=O)N(CC[NH+](C)C)CC(C)C ZINC000809726187 586514883 /nfs/dbraw/zinc/51/48/83/586514883.db2.gz KPXVDYMMLOUIKV-UHFFFAOYSA-N 1 0 229.324 0.665 20 30 BCEDRO CON=CC(=O)N1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000809744033 586516489 /nfs/dbraw/zinc/51/64/89/586516489.db2.gz RDZZSXNVNBPGMS-RKDXNWHRSA-N 1 0 213.281 0.170 20 30 BCEDRO CON=CC(=O)N1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000809746666 586516963 /nfs/dbraw/zinc/51/69/63/586516963.db2.gz XOCHEMCHWHZYRL-IUCAKERBSA-N 1 0 213.281 0.170 20 30 BCEDRO CON=CC(=O)N1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000809746668 586517066 /nfs/dbraw/zinc/51/70/66/586517066.db2.gz XOCHEMCHWHZYRL-RKDXNWHRSA-N 1 0 213.281 0.170 20 30 BCEDRO CON=CC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000809765975 586518391 /nfs/dbraw/zinc/51/83/91/586518391.db2.gz SYRMBORANMWHSB-UHFFFAOYSA-N 1 0 225.292 0.387 20 30 BCEDRO CON=CC(=O)N[C@@H](C)C[N@H+](C)C(C)C ZINC000811601639 586562170 /nfs/dbraw/zinc/56/21/70/586562170.db2.gz YAORSJXQSBFVIC-VIFPVBQESA-N 1 0 215.297 0.464 20 30 BCEDRO COC[C@H](C)N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811646895 586562498 /nfs/dbraw/zinc/56/24/98/586562498.db2.gz PSGLTGHLAAPZPF-VIFPVBQESA-N 1 0 239.323 0.445 20 30 BCEDRO COCCCO[NH+]=Cc1cnc(N(C)C)n1C ZINC000811649952 586562702 /nfs/dbraw/zinc/56/27/02/586562702.db2.gz DQGQMGULPUSTBX-UHFFFAOYSA-N 1 0 240.307 0.873 20 30 BCEDRO CC[C@@H](O)CNN=C1CC[N@H+](C)[C@@H](C)C1 ZINC000811655886 586563824 /nfs/dbraw/zinc/56/38/24/586563824.db2.gz BLVGJJBALLZIIO-GXSJLCMTSA-N 1 0 213.325 0.817 20 30 BCEDRO C[C@@H](C(=O)NCc1ccc(C#N)cn1)[NH+](C)C ZINC000813707691 586605497 /nfs/dbraw/zinc/60/54/97/586605497.db2.gz CYSJDNKADDLEIE-VIFPVBQESA-N 1 0 232.287 0.520 20 30 BCEDRO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000814144382 586614621 /nfs/dbraw/zinc/61/46/21/586614621.db2.gz HIXNWORNKSAGCS-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO CC(C)(O)C[NH+]1CCC(N=NCCCO)CC1 ZINC000814221879 586617988 /nfs/dbraw/zinc/61/79/88/586617988.db2.gz PXURHGOQSCEBFB-UHFFFAOYSA-N 1 0 243.351 0.181 20 30 BCEDRO C[C@H](CO)NN=C1CC[NH+](CC(C)(C)O)CC1 ZINC000814223151 586618054 /nfs/dbraw/zinc/61/80/54/586618054.db2.gz CEXWCNQTTONUSH-SNVBAGLBSA-N 1 0 243.351 0.180 20 30 BCEDRO C=C[C@@H](O)C(=O)OCCC[NH+]1CCCC1 ZINC000814550540 586624848 /nfs/dbraw/zinc/62/48/48/586624848.db2.gz MWPKHCKEZRBOKH-SNVBAGLBSA-N 1 0 213.277 0.562 20 30 BCEDRO CN(C[C@@H](O)C[NH+]1CCCC1)CC(C)(C)C#N ZINC000814669463 586628184 /nfs/dbraw/zinc/62/81/84/586628184.db2.gz BPVHMBRJYDPSCZ-GFCCVEGCSA-N 1 0 239.363 0.925 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cccc(CO)c1 ZINC000814796456 586634679 /nfs/dbraw/zinc/63/46/79/586634679.db2.gz DWECXAOFMOQGSS-UHFFFAOYSA-N 1 0 206.249 0.386 20 30 BCEDRO COc1cccc([N-][NH+]=Cc2cnn(C)c2N)n1 ZINC000814900540 586646156 /nfs/dbraw/zinc/64/61/56/586646156.db2.gz XVSFMKZZYHDZBE-UHFFFAOYSA-N 1 0 246.274 0.852 20 30 BCEDRO OCCN[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000814942148 586656582 /nfs/dbraw/zinc/65/65/82/586656582.db2.gz LEFGHOQXJSJGOO-UHFFFAOYSA-N 1 0 234.303 0.598 20 30 BCEDRO Cn1nncc1N=NC1CCC[N@H+](C)CC1 ZINC000814982148 586663344 /nfs/dbraw/zinc/66/33/44/586663344.db2.gz PIPRLFRGEZFMKG-UHFFFAOYSA-N 1 0 222.296 0.699 20 30 BCEDRO CC[N@H+](CC(=O)NC)[C@@H]1CC[C@H](C#N)C1 ZINC000815020918 586664416 /nfs/dbraw/zinc/66/44/16/586664416.db2.gz HBPMISWGDMBEDX-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](CCO)C1 ZINC000815035058 586664426 /nfs/dbraw/zinc/66/44/26/586664426.db2.gz HRUHBHJRBAENTA-LBPRGKRZSA-N 1 0 238.331 0.220 20 30 BCEDRO C#CCNC(=O)CCN1CC[N@@H+](CC)[C@@H](C)C1 ZINC000815075970 586665160 /nfs/dbraw/zinc/66/51/60/586665160.db2.gz QNHMYDLTBIAYFI-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO CC(=O)OC1CC[NH+](CCOCCC#N)CC1 ZINC000815076390 586665452 /nfs/dbraw/zinc/66/54/52/586665452.db2.gz PORKWCNHWKXHFL-UHFFFAOYSA-N 1 0 240.303 0.944 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](F)C1 ZINC000815087965 586665878 /nfs/dbraw/zinc/66/58/78/586665878.db2.gz WLCHFUVYRYPNBI-MNOVXSKESA-N 1 0 226.295 0.806 20 30 BCEDRO N#CCCOCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000815098951 586666882 /nfs/dbraw/zinc/66/68/82/586666882.db2.gz CJADROQRCZRBOJ-MNOVXSKESA-N 1 0 210.277 0.231 20 30 BCEDRO C#CCNC(=O)CN1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000815144493 586669938 /nfs/dbraw/zinc/66/99/38/586669938.db2.gz DZXHAVQBVIGPSD-AWEZNQCLSA-N 1 0 249.358 0.154 20 30 BCEDRO CC[N@H+](CCO[C@@H](C)C#N)[C@@H](C)CO ZINC000815186201 586673214 /nfs/dbraw/zinc/67/32/14/586673214.db2.gz YXCOMTWGSOMMSW-UWVGGRQHSA-N 1 0 200.282 0.618 20 30 BCEDRO CON=CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000816766687 586763149 /nfs/dbraw/zinc/76/31/49/586763149.db2.gz DOXFNKBMDWLHLE-RKDXNWHRSA-N 1 0 213.281 0.170 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000816972087 586775636 /nfs/dbraw/zinc/77/56/36/586775636.db2.gz AWSZJBGFNIFOSE-SNVBAGLBSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000816972086 586775935 /nfs/dbraw/zinc/77/59/35/586775935.db2.gz AWSZJBGFNIFOSE-JTQLQIEISA-N 1 0 226.320 0.476 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000817043400 586779874 /nfs/dbraw/zinc/77/98/74/586779874.db2.gz IRNREDAXZGCDAO-LBPRGKRZSA-N 1 0 224.304 0.089 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](CCO)CC1 ZINC000817298245 586794308 /nfs/dbraw/zinc/79/43/08/586794308.db2.gz JDBFGFPZHIBMTA-LBPRGKRZSA-N 1 0 238.331 0.220 20 30 BCEDRO C[N@@H+]1CCCC(=NN[C@@H]2CCC[C@H]2O)CC1 ZINC000817338625 586797521 /nfs/dbraw/zinc/79/75/21/586797521.db2.gz WCAGQTOXVUAILH-VXGBXAGGSA-N 1 0 225.336 0.961 20 30 BCEDRO C#CCOCCC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817492562 586808083 /nfs/dbraw/zinc/80/80/83/586808083.db2.gz YORSRJYDGDBMKH-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CC[NH2+][C@@H]1CCO[C@H]1c1ccc(=O)[nH]c1 ZINC000859877591 589068716 /nfs/dbraw/zinc/06/87/16/589068716.db2.gz YNHZEZZELRZVCU-PWSUYJOCSA-N 1 0 218.256 0.840 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC000818224235 586880599 /nfs/dbraw/zinc/88/05/99/586880599.db2.gz IMIWPAVVJOZCNH-ONGXEEELSA-N 1 0 222.292 0.496 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)/C=C/COC ZINC000818593070 586904138 /nfs/dbraw/zinc/90/41/38/586904138.db2.gz KHUSWORPAFCSOP-FNORWQNLSA-N 1 0 224.304 0.260 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C[C@H](C)OC ZINC000818588785 586904167 /nfs/dbraw/zinc/90/41/67/586904167.db2.gz GNHVEGBTWVIXNM-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)COCCC=C ZINC000818602839 586904747 /nfs/dbraw/zinc/90/47/47/586904747.db2.gz HEZKQZSWZVMKIJ-UHFFFAOYSA-N 1 0 238.331 0.650 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C[C@@H](O)CCC ZINC000818615522 586906462 /nfs/dbraw/zinc/90/64/62/586906462.db2.gz ODQIZNBNDADPFY-LBPRGKRZSA-N 1 0 240.347 0.609 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000818649379 586908950 /nfs/dbraw/zinc/90/89/50/586908950.db2.gz DLQNDYONYTWCGR-GHMZBOCLSA-N 1 0 239.319 0.205 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CC1(Cl)Cl ZINC000818948686 586916685 /nfs/dbraw/zinc/91/66/85/586916685.db2.gz FWVIGSACIULZNP-QMMMGPOBSA-N 1 0 249.141 0.909 20 30 BCEDRO C#CCOCCN1CC[NH+](CCCF)CC1 ZINC000860006428 589075369 /nfs/dbraw/zinc/07/53/69/589075369.db2.gz DVRSPKBAXMVYHR-UHFFFAOYSA-N 1 0 228.311 0.613 20 30 BCEDRO N#CCN1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000819035976 586926199 /nfs/dbraw/zinc/92/61/99/586926199.db2.gz YRIDSCRJNFYENQ-LBPRGKRZSA-N 1 0 223.320 0.335 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCN(CC2CC2)C1 ZINC000819039281 586926780 /nfs/dbraw/zinc/92/67/80/586926780.db2.gz OZMKQWJLANOOMK-CYBMUJFWSA-N 1 0 249.358 0.200 20 30 BCEDRO C#CCSCC[NH2+]C[C@H](O)CCOCC ZINC000819093185 586930769 /nfs/dbraw/zinc/93/07/69/586930769.db2.gz KOVUVSQSEPBVQK-LLVKDONJSA-N 1 0 231.361 0.730 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)COc1ccccc1 ZINC000819227969 586940724 /nfs/dbraw/zinc/94/07/24/586940724.db2.gz FXWJKVVCZMIZOF-ZDUSSCGKSA-N 1 0 249.310 0.666 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC000819277631 586947296 /nfs/dbraw/zinc/94/72/96/586947296.db2.gz DSBSESNBWSMQCB-RQJABVFESA-N 1 0 244.294 0.826 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](O)CC1 ZINC000819318916 586950809 /nfs/dbraw/zinc/95/08/09/586950809.db2.gz YBZCTAOUWTWHOY-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO C#Cc1cccc(C[NH2+]C[C@H](O)COC)c1 ZINC000819356220 586956267 /nfs/dbraw/zinc/95/62/67/586956267.db2.gz CYDZTEMAEXDPJM-ZDUSSCGKSA-N 1 0 219.284 0.765 20 30 BCEDRO CC(C)(CC#N)C[NH2+]CCS(C)(=O)=O ZINC000819361123 586956841 /nfs/dbraw/zinc/95/68/41/586956841.db2.gz CQILISQRKRIIGM-UHFFFAOYSA-N 1 0 218.322 0.560 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1ccns1 ZINC000860062134 589078343 /nfs/dbraw/zinc/07/83/43/589078343.db2.gz RGMZYZZDBPQECN-SECBINFHSA-N 1 0 237.328 0.933 20 30 BCEDRO C[C@@H](CC#N)NN=C1CC[NH+](CCO)CC1 ZINC000819808927 586995232 /nfs/dbraw/zinc/99/52/32/586995232.db2.gz IXFJMPIMIBMMOA-JTQLQIEISA-N 1 0 224.308 0.322 20 30 BCEDRO CCC1(CC)C(=O)NCCC1=[NH+]n1cnnc1 ZINC000819801742 586996112 /nfs/dbraw/zinc/99/61/12/586996112.db2.gz WKKBDBWQTJHRGA-UHFFFAOYSA-N 1 0 235.291 0.809 20 30 BCEDRO CCOCCON=C1CC[NH+](CCO)CC1 ZINC000819809818 586996797 /nfs/dbraw/zinc/99/67/97/586996797.db2.gz OIFRRSKFWRYATO-UHFFFAOYSA-N 1 0 230.308 0.484 20 30 BCEDRO C#CCSCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000820193202 587033795 /nfs/dbraw/zinc/03/37/95/587033795.db2.gz RHWFZBMUPAPALB-UHFFFAOYSA-N 1 0 240.372 0.811 20 30 BCEDRO C#CCN(CC#CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000820317326 587043116 /nfs/dbraw/zinc/04/31/16/587043116.db2.gz ALVFONODQXQLQS-CYBMUJFWSA-N 1 0 232.327 0.813 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(CC[NH+](C)C)C(C)C ZINC000820423857 587047711 /nfs/dbraw/zinc/04/77/11/587047711.db2.gz XUVPGJZWEDHELU-LLVKDONJSA-N 1 0 225.336 0.990 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000820435179 587048996 /nfs/dbraw/zinc/04/89/96/587048996.db2.gz GGCWBWWALSEJBQ-QWRGUYRKSA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000820435180 587049074 /nfs/dbraw/zinc/04/90/74/587049074.db2.gz GGCWBWWALSEJBQ-WDEREUQCSA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000820436346 587049088 /nfs/dbraw/zinc/04/90/88/587049088.db2.gz VSUUSDRMLWURFB-NWDGAFQWSA-N 1 0 235.331 0.888 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000820445583 587049596 /nfs/dbraw/zinc/04/95/96/587049596.db2.gz GDNDBSQIAQRDPP-SNVBAGLBSA-N 1 0 240.347 0.959 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860160250 589083163 /nfs/dbraw/zinc/08/31/63/589083163.db2.gz NIVARPCJSVHCSG-GMTAPVOTSA-N 1 0 225.288 0.418 20 30 BCEDRO N#Cc1cc(C[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)ccn1 ZINC000860164537 589084882 /nfs/dbraw/zinc/08/48/82/589084882.db2.gz JOSUCMFEDRPLGH-JQWIXIFHSA-N 1 0 243.266 0.558 20 30 BCEDRO C#CCOCCNC(=O)C[N@@H+](C)CC(C)(C)C ZINC000821882394 587145430 /nfs/dbraw/zinc/14/54/30/587145430.db2.gz ZOJOIDNLTRFVKK-UHFFFAOYSA-N 1 0 240.347 0.730 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCCC[NH+](CC)CC ZINC000822182171 587158161 /nfs/dbraw/zinc/15/81/61/587158161.db2.gz GFVIOTNJBIWIOX-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C#Cc1cncc(C(=O)NCC[NH+]2CCCC2)c1 ZINC000822236733 587159193 /nfs/dbraw/zinc/15/91/93/587159193.db2.gz NKRUPNIMHZZGBX-UHFFFAOYSA-N 1 0 243.310 0.889 20 30 BCEDRO C#CCN(C)C(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000822370433 587164479 /nfs/dbraw/zinc/16/44/79/587164479.db2.gz KWOSIKAPUJZJQQ-RKDXNWHRSA-N 1 0 203.245 0.605 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000822406903 587166308 /nfs/dbraw/zinc/16/63/08/587166308.db2.gz KDJLNHQYAIJGNW-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCn1cc(CNC(=O)[C@@H](C)[NH+](C)C)cn1 ZINC000822495051 587171800 /nfs/dbraw/zinc/17/18/00/587171800.db2.gz RISWLGRGTMTPTC-SNVBAGLBSA-N 1 0 234.303 0.083 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000822680496 587180689 /nfs/dbraw/zinc/18/06/89/587180689.db2.gz RSWXJQQHAXTMGZ-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000822680501 587180690 /nfs/dbraw/zinc/18/06/90/587180690.db2.gz RSWXJQQHAXTMGZ-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCOCCN1CCO[C@@](C)(COC)C1 ZINC000860200908 589089464 /nfs/dbraw/zinc/08/94/64/589089464.db2.gz GQTLFMALVLHLGT-GFCCVEGCSA-N 1 0 227.304 0.374 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000822843385 587188834 /nfs/dbraw/zinc/18/88/34/587188834.db2.gz IDVLOWFCKPUDMD-LLVKDONJSA-N 1 0 240.347 0.912 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000823045292 587199053 /nfs/dbraw/zinc/19/90/53/587199053.db2.gz UQHWODNMLZGCGR-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000823045299 587199083 /nfs/dbraw/zinc/19/90/83/587199083.db2.gz UQHWODNMLZGCGR-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000823121237 587203886 /nfs/dbraw/zinc/20/38/86/587203886.db2.gz QKQOCHZUBJVGAD-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)CCCC ZINC000823275921 587213373 /nfs/dbraw/zinc/21/33/73/587213373.db2.gz APRKPHLFRKXBSR-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C#C[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000823313646 587216143 /nfs/dbraw/zinc/21/61/43/587216143.db2.gz BRDKMWQOCPHGRB-JQWIXIFHSA-N 1 0 236.315 0.114 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823541483 587230118 /nfs/dbraw/zinc/23/01/18/587230118.db2.gz MNUBBDHHRNZIDF-NEPJUHHUSA-N 1 0 236.315 0.189 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823541485 587230538 /nfs/dbraw/zinc/23/05/38/587230538.db2.gz MNUBBDHHRNZIDF-RYUDHWBXSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CCCC[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000823650056 587234686 /nfs/dbraw/zinc/23/46/86/587234686.db2.gz ORLLFIQFXKNSTO-UHFFFAOYSA-N 1 0 235.331 0.889 20 30 BCEDRO C=C(CO)C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824086735 587254586 /nfs/dbraw/zinc/25/45/86/587254586.db2.gz OHWWPZFWSABGFU-UWVGGRQHSA-N 1 0 226.320 0.380 20 30 BCEDRO CON=CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824095499 587255336 /nfs/dbraw/zinc/25/53/36/587255336.db2.gz SSGYVFJFWYRAFQ-DTWKUNHWSA-N 1 0 227.308 0.464 20 30 BCEDRO C=CCOCCCNC(=O)C[NH+]1CCCC1 ZINC000824545152 587275476 /nfs/dbraw/zinc/27/54/76/587275476.db2.gz PFXULTZNUBCMQP-UHFFFAOYSA-N 1 0 226.320 0.791 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCCN(C)OC ZINC000824592493 587278567 /nfs/dbraw/zinc/27/85/67/587278567.db2.gz KMHQVJXUPWPOPX-UHFFFAOYSA-N 1 0 243.351 0.494 20 30 BCEDRO C#CC[C@@H]1CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000824868854 587290931 /nfs/dbraw/zinc/29/09/31/587290931.db2.gz FDKHRJTXXDYSHV-GFCCVEGCSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000825168421 587307227 /nfs/dbraw/zinc/30/72/27/587307227.db2.gz XRUVFIZQZTWSFM-NWDGAFQWSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CCN(CC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000826665085 587358326 /nfs/dbraw/zinc/35/83/26/587358326.db2.gz LWSNLZGUEWQTJB-GHMZBOCLSA-N 1 0 208.305 0.808 20 30 BCEDRO CON=CC(=O)NC[C@@H]1c2ccccc2CN1C ZINC000826695958 587359231 /nfs/dbraw/zinc/35/92/31/587359231.db2.gz KUQSTILRLBZWQD-GFCCVEGCSA-N 1 0 247.298 0.922 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H]1c2ccccc2CN1C ZINC000826696585 587359243 /nfs/dbraw/zinc/35/92/43/587359243.db2.gz ONELNJCDVIQYPT-OLZOCXBDSA-N 1 0 246.310 0.836 20 30 BCEDRO C#Cc1cnc(N2CC[NH+](CC)CC2)nc1 ZINC000827262364 587374382 /nfs/dbraw/zinc/37/43/82/587374382.db2.gz VFKAWLCOWDNBJB-UHFFFAOYSA-N 1 0 216.288 0.600 20 30 BCEDRO C#Cc1cnc(NC[C@@H](C)[NH+](C)C)nc1 ZINC000827462356 587382218 /nfs/dbraw/zinc/38/22/18/587382218.db2.gz IYAYEVLQFXUCHL-SECBINFHSA-N 1 0 204.277 0.820 20 30 BCEDRO C[C@@H]1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)=NO1 ZINC000827496167 587383432 /nfs/dbraw/zinc/38/34/32/587383432.db2.gz FVPMSYYGENNYHY-IWSPIJDZSA-N 1 0 225.292 0.565 20 30 BCEDRO C#Cc1cnc(NCCN2CCO[C@H](C)C2)nc1 ZINC000827527255 587385959 /nfs/dbraw/zinc/38/59/59/587385959.db2.gz ZPKSDODHUAWXCU-LLVKDONJSA-N 1 0 246.314 0.591 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000827549971 587386936 /nfs/dbraw/zinc/38/69/36/587386936.db2.gz ZKUJYCIQCRHHRK-LBPRGKRZSA-N 1 0 240.347 0.724 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1cnnn1CC)C1CCOCC1 ZINC000827554218 587387465 /nfs/dbraw/zinc/38/74/65/587387465.db2.gz AZBPXTSOSZWFMS-CYBMUJFWSA-N 1 0 248.330 0.816 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](O)CC(C)(C)C1 ZINC000827676220 587395495 /nfs/dbraw/zinc/39/54/95/587395495.db2.gz GKSPUFCYJBZXKT-NSHDSACASA-N 1 0 240.347 0.724 20 30 BCEDRO C#Cc1cnc(N2CC[NH+]3CCC2CC3)nc1 ZINC000828006555 587416467 /nfs/dbraw/zinc/41/64/67/587416467.db2.gz VQQHXUBZSRZQCC-UHFFFAOYSA-N 1 0 228.299 0.742 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC[S@](C)=O ZINC000828597400 587453160 /nfs/dbraw/zinc/45/31/60/587453160.db2.gz XJCWQYUDBKXANU-BFVZDQMLSA-N 1 0 217.334 0.688 20 30 BCEDRO C#CC(=O)N(C)CC[NH+]1CC2(C1)CCOCC2 ZINC000829287880 587491339 /nfs/dbraw/zinc/49/13/39/587491339.db2.gz YDLTVRLCCKKRKG-UHFFFAOYSA-N 1 0 236.315 0.190 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)N(C)OC)C1 ZINC000829809871 587518144 /nfs/dbraw/zinc/51/81/44/587518144.db2.gz JHYYTAYXESQGMX-NSHDSACASA-N 1 0 224.304 0.742 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000829851754 587524114 /nfs/dbraw/zinc/52/41/14/587524114.db2.gz KOTKIGHMOYDFNP-GHMZBOCLSA-N 1 0 244.335 0.006 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CCC(=O)C2CC2)C1 ZINC000829992519 587531495 /nfs/dbraw/zinc/53/14/95/587531495.db2.gz YDIWVJIUVZVHHG-GFCCVEGCSA-N 1 0 222.288 0.706 20 30 BCEDRO N#CC[C@@]1(O)CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000830007011 587532047 /nfs/dbraw/zinc/53/20/47/587532047.db2.gz QEYNLLPVXBWGHS-GHMZBOCLSA-N 1 0 210.277 0.108 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2OC)CC1 ZINC000830168040 587540283 /nfs/dbraw/zinc/54/02/83/587540283.db2.gz CUJBITVFIIWMIT-VXGBXAGGSA-N 1 0 236.315 0.235 20 30 BCEDRO C#CC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000830321287 587545761 /nfs/dbraw/zinc/54/57/61/587545761.db2.gz FKCLRERNLYVUHC-CYBMUJFWSA-N 1 0 233.315 0.589 20 30 BCEDRO C#CC1CC[NH+](CC(=O)N(C)OC)CC1 ZINC000830345868 587546678 /nfs/dbraw/zinc/54/66/78/587546678.db2.gz XBBZAOPGDJNZJH-UHFFFAOYSA-N 1 0 210.277 0.351 20 30 BCEDRO C#CC1CC[NH+](C[C@](C)(O)C(C)=O)CC1 ZINC000830350394 587546749 /nfs/dbraw/zinc/54/67/49/587546749.db2.gz BJIJVERFKNKMJS-LBPRGKRZSA-N 1 0 209.289 0.672 20 30 BCEDRO N#CCOc1ccc(Cn2nnnc2C[NH3+])cc1 ZINC000830463054 587551951 /nfs/dbraw/zinc/55/19/51/587551951.db2.gz GIJPNGYOCHZLLA-UHFFFAOYSA-N 1 0 244.258 0.082 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)CC(C)(C)CO ZINC000830707535 587564863 /nfs/dbraw/zinc/56/48/63/587564863.db2.gz GBIUSYWNKFVFLC-JTQLQIEISA-N 1 0 214.309 0.865 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@](O)(C(F)F)C1 ZINC000831175244 587589414 /nfs/dbraw/zinc/58/94/14/587589414.db2.gz HXCMOJAVBCFMTK-WPRPVWTQSA-N 1 0 221.247 0.625 20 30 BCEDRO C#C[C@H](C)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000831297913 587596287 /nfs/dbraw/zinc/59/62/87/587596287.db2.gz AHCMNHNIQFDWTN-JTQLQIEISA-N 1 0 231.299 0.966 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC)C[C@H](C)O ZINC000831310236 587596955 /nfs/dbraw/zinc/59/69/55/587596955.db2.gz GZJUWXDBBWDSAD-WDEREUQCSA-N 1 0 228.336 0.770 20 30 BCEDRO CCO[C@H](CNC(=O)[C@@H](C)CC#N)C[NH+](C)C ZINC000831709344 587628535 /nfs/dbraw/zinc/62/85/35/587628535.db2.gz ZCVAHLVKLZHLKA-WDEREUQCSA-N 1 0 241.335 0.619 20 30 BCEDRO CC#CC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000831723876 587628988 /nfs/dbraw/zinc/62/89/88/587628988.db2.gz LEHLPMIJOCLGIK-SNVBAGLBSA-N 1 0 212.293 0.093 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC2(C1)CCOCC2 ZINC000831868208 587635065 /nfs/dbraw/zinc/63/50/65/587635065.db2.gz SBYLTJODVWOEGR-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO CC[N@H+](CCO)CCNC(=O)C#CC(C)C ZINC000832303305 587653657 /nfs/dbraw/zinc/65/36/57/587653657.db2.gz YUVCJSLYQZVRMB-UHFFFAOYSA-N 1 0 226.320 0.076 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000832452684 587660910 /nfs/dbraw/zinc/66/09/10/587660910.db2.gz SAMQBVKZGMHDQI-NSHDSACASA-N 1 0 226.320 0.776 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000832503590 587664072 /nfs/dbraw/zinc/66/40/72/587664072.db2.gz YWJPECSJSSVFJY-QJPTWQEYSA-N 1 0 238.331 0.624 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CC(C)(C)CO ZINC000834093932 587744797 /nfs/dbraw/zinc/74/47/97/587744797.db2.gz MYFSSTHIJJFTFI-UHFFFAOYSA-N 1 0 228.336 0.581 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(F)c1 ZINC000834479217 587756042 /nfs/dbraw/zinc/75/60/42/587756042.db2.gz BFAVLCOLWGCAEZ-BXKDBHETSA-N 1 0 247.273 0.976 20 30 BCEDRO CC1(C)C(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1(C)C ZINC000834479402 587756199 /nfs/dbraw/zinc/75/61/99/587756199.db2.gz DJOKJFQDLNTATD-IUCAKERBSA-N 1 0 235.331 0.896 20 30 BCEDRO CC[C@@H]1CC[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)O1 ZINC000834480043 587756201 /nfs/dbraw/zinc/75/62/01/587756201.db2.gz KMXKGHAGDCVRTO-GWOFURMSSA-N 1 0 237.303 0.172 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC12CCOCC2 ZINC000834480086 587756300 /nfs/dbraw/zinc/75/63/00/587756300.db2.gz KWSHNPABNHTRRG-MXWKQRLJSA-N 1 0 249.314 0.031 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCC(F)(F)F ZINC000834480775 587756392 /nfs/dbraw/zinc/75/63/92/587756392.db2.gz VZGBZZFUJCIUHS-NKWVEPMBSA-N 1 0 235.209 0.557 20 30 BCEDRO CC(C)n1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000834488945 587756524 /nfs/dbraw/zinc/75/65/24/587756524.db2.gz HWOHOMLTPLYIQN-MWLCHTKSSA-N 1 0 247.302 0.305 20 30 BCEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)ccc1N ZINC000834485122 587756636 /nfs/dbraw/zinc/75/66/36/587756636.db2.gz RYDCECDVEJYNNH-PWSUYJOCSA-N 1 0 244.298 0.419 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(N)cc1 ZINC000834484719 587756696 /nfs/dbraw/zinc/75/66/96/587756696.db2.gz MDGNCQFXWOQYPF-MWLCHTKSSA-N 1 0 230.271 0.110 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000834485095 587756751 /nfs/dbraw/zinc/75/67/51/587756751.db2.gz RRYUKSOIMNOLNS-ZYHUDNBSSA-N 1 0 244.298 0.039 20 30 BCEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)ccc1F ZINC000834485314 587756762 /nfs/dbraw/zinc/75/67/62/587756762.db2.gz VEMMNDNXJLDFLT-ZYHUDNBSSA-N 1 0 247.273 0.976 20 30 BCEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)C(C)(C)C ZINC000834488741 587756797 /nfs/dbraw/zinc/75/67/97/587756797.db2.gz GIJZMYQTAFVURO-OPRDCNLKSA-N 1 0 223.320 0.896 20 30 BCEDRO CCc1cccnc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834485016 587756867 /nfs/dbraw/zinc/75/68/67/587756867.db2.gz QXIIXJKFNQNCHG-GHMZBOCLSA-N 1 0 244.298 0.485 20 30 BCEDRO CSCCCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834490470 587756958 /nfs/dbraw/zinc/75/69/58/587756958.db2.gz VIUFPFJYBDUARO-NXEZZACHSA-N 1 0 241.360 0.747 20 30 BCEDRO CC(C)c1ocnc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834489179 587756976 /nfs/dbraw/zinc/75/69/76/587756976.db2.gz KHGCUHKMATYWTH-BDAKNGLRSA-N 1 0 248.286 0.639 20 30 BCEDRO CCCCOCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834490995 587757083 /nfs/dbraw/zinc/75/70/83/587757083.db2.gz ZEDTVSDJDPMGCA-ZJUUUORDSA-N 1 0 225.292 0.031 20 30 BCEDRO CC(=O)c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)o1 ZINC000834499494 587757387 /nfs/dbraw/zinc/75/73/87/587757387.db2.gz IVBZCAXDZRHOII-RKDXNWHRSA-N 1 0 247.254 0.324 20 30 BCEDRO CCn1nc(C)cc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834494519 587757498 /nfs/dbraw/zinc/75/74/98/587757498.db2.gz NRPQIPNIHBBYFC-VHSXEESVSA-N 1 0 247.302 0.053 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834495518 587757552 /nfs/dbraw/zinc/75/75/52/587757552.db2.gz WKNDFMDFZQZQEH-OUAUKWLOSA-N 1 0 237.303 0.195 20 30 BCEDRO C[C@@H]1CC/C(=C\C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000834500543 587757765 /nfs/dbraw/zinc/75/77/65/587757765.db2.gz UKPCOKMICOVSJD-YFPKHOIMSA-N 1 0 233.315 0.961 20 30 BCEDRO CCCn1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834500128 587757767 /nfs/dbraw/zinc/75/77/67/587757767.db2.gz QLGMAIRDNADRPV-GXSJLCMTSA-N 1 0 247.302 0.134 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)COc1ccccc1 ZINC000834505374 587757777 /nfs/dbraw/zinc/75/77/77/587757777.db2.gz KDSXSAZJSSUTHB-ZYHUDNBSSA-N 1 0 245.282 0.293 20 30 BCEDRO CO[C@H](C)CCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834500337 587757793 /nfs/dbraw/zinc/75/77/93/587757793.db2.gz SENPHXQEOLARSK-KXUCPTDWSA-N 1 0 225.292 0.029 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)o1 ZINC000834504647 587757850 /nfs/dbraw/zinc/75/78/50/587757850.db2.gz DKQUNSDJKJDQFG-RKDXNWHRSA-N 1 0 219.244 0.429 20 30 BCEDRO CC(C)OCCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834500660 587757987 /nfs/dbraw/zinc/75/79/87/587757987.db2.gz VRJXDXXQYYCTNX-QWRGUYRKSA-N 1 0 239.319 0.419 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccccc1 ZINC000834506279 587757994 /nfs/dbraw/zinc/75/79/94/587757994.db2.gz RMIDSDUKFMEQNP-WDEREUQCSA-N 1 0 215.256 0.528 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1cccc(F)c1 ZINC000834506961 587758117 /nfs/dbraw/zinc/75/81/17/587758117.db2.gz WSQUIQKAGBNUBT-CMPLNLGQSA-N 1 0 247.273 0.596 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCc1cccs1 ZINC000834512137 587758124 /nfs/dbraw/zinc/75/81/24/587758124.db2.gz SCWJPWHHCQUHBG-GXSJLCMTSA-N 1 0 249.339 0.908 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1C ZINC000834511550 587758183 /nfs/dbraw/zinc/75/81/83/587758183.db2.gz MFKZJDFDIHHQFD-ZJUUUORDSA-N 1 0 232.287 0.175 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC000834506224 587758191 /nfs/dbraw/zinc/75/81/91/587758191.db2.gz QXAOTMRHRITZGY-GHMZBOCLSA-N 1 0 233.315 0.794 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)s1 ZINC000834506605 587758253 /nfs/dbraw/zinc/75/82/53/587758253.db2.gz UMTOOPCIYZVGBN-RKDXNWHRSA-N 1 0 235.312 0.898 20 30 BCEDRO Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1O ZINC000834512545 587758571 /nfs/dbraw/zinc/75/85/71/587758571.db2.gz YMNLORPSNIHOQD-ONGXEEELSA-N 1 0 245.282 0.542 20 30 BCEDRO Cc1ccc(F)cc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834517114 587758614 /nfs/dbraw/zinc/75/86/14/587758614.db2.gz QJJXWDOBIUYJHQ-SKDRFNHKSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(C2CC2)n[nH]1 ZINC000834515781 587758671 /nfs/dbraw/zinc/75/86/71/587758671.db2.gz BQTADDMMMCWOIF-GZMMTYOYSA-N 1 0 245.286 0.128 20 30 BCEDRO C#CCn1cc(CNC(=O)[C@H](C)[NH+](C)C)cn1 ZINC000834609966 587760818 /nfs/dbraw/zinc/76/08/18/587760818.db2.gz RISWLGRGTMTPTC-JTQLQIEISA-N 1 0 234.303 0.083 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)COC ZINC000836203829 587828745 /nfs/dbraw/zinc/82/87/45/587828745.db2.gz VAQBOSOCHNKSQB-NSHDSACASA-N 1 0 241.335 0.276 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccncc1 ZINC000836216607 587829066 /nfs/dbraw/zinc/82/90/66/587829066.db2.gz KJRGUZLQOXTRDJ-UHFFFAOYSA-N 1 0 246.314 0.580 20 30 BCEDRO CON=CC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000837193549 587858978 /nfs/dbraw/zinc/85/89/78/587858978.db2.gz VLUJVNJFTRBIRD-SNVBAGLBSA-N 1 0 227.308 0.560 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000837193570 587859059 /nfs/dbraw/zinc/85/90/59/587859059.db2.gz WDDDXHWECYGRPM-LLVKDONJSA-N 1 0 226.320 0.476 20 30 BCEDRO C[C@@H]1CN(CCNC(=O)C#CC2CC2)CCO1 ZINC000837383637 587870145 /nfs/dbraw/zinc/87/01/45/587870145.db2.gz ONTFGOGFXCXEJD-LLVKDONJSA-N 1 0 236.315 0.237 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000837388047 587870343 /nfs/dbraw/zinc/87/03/43/587870343.db2.gz KVYZNDUJVAEHBX-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)C#CC1CC1 ZINC000837416215 587871179 /nfs/dbraw/zinc/87/11/79/587871179.db2.gz PNFCTDNGELQQTL-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]2C1 ZINC000837659415 587888498 /nfs/dbraw/zinc/88/84/98/587888498.db2.gz FQNGDWFTXVPMRQ-OLZOCXBDSA-N 1 0 232.327 0.810 20 30 BCEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000837667145 587889251 /nfs/dbraw/zinc/88/92/51/587889251.db2.gz CWESECZYLVTRPG-AWEZNQCLSA-N 1 0 232.327 0.954 20 30 BCEDRO C#CC[C@@H](NC(=O)C[N@@H+](C)CCC)C(=O)OC ZINC000837941703 587904836 /nfs/dbraw/zinc/90/48/36/587904836.db2.gz USMPUPAJJVUQQM-SNVBAGLBSA-N 1 0 240.303 0.009 20 30 BCEDRO C#CCNC(=S)NC(C)(C)C[NH+]1CCCC1 ZINC000840833390 587924368 /nfs/dbraw/zinc/92/43/68/587924368.db2.gz LEJOEIDHIGBUDI-UHFFFAOYSA-N 1 0 239.388 0.958 20 30 BCEDRO Cc1cccc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000841182352 587948380 /nfs/dbraw/zinc/94/83/80/587948380.db2.gz KYEPMQIBBQYBEB-ZJUUUORDSA-N 1 0 245.286 0.623 20 30 BCEDRO CC(C)c1cccc2c1NC(=O)C2=NNC(N)=[NH2+] ZINC000841617996 587959909 /nfs/dbraw/zinc/95/99/09/587959909.db2.gz BEWLFRNJTGROIG-UHFFFAOYSA-N 1 0 245.286 0.949 20 30 BCEDRO COc1ccc(CC(C)N=NC(N)=[NH2+])cn1 ZINC000841619649 587960621 /nfs/dbraw/zinc/96/06/21/587960621.db2.gz NXVFMRIZCUOXOT-UHFFFAOYSA-N 1 0 221.264 0.492 20 30 BCEDRO Cc1cc(N(C)C)ccc1C=[NH+]OCC(N)=O ZINC000841630648 587961904 /nfs/dbraw/zinc/96/19/04/587961904.db2.gz KRULEFCCEOKOJN-UHFFFAOYSA-N 1 0 235.287 0.897 20 30 BCEDRO C[C@H](O)CN(C)N=C1CC[N@@H+]2CCC[C@H]12 ZINC000841649334 587966874 /nfs/dbraw/zinc/96/68/74/587966874.db2.gz GIKVFOBXEGKOHQ-GXSJLCMTSA-N 1 0 211.309 0.523 20 30 BCEDRO CCC(=NNC1=[NH+]CCN1)c1cccc(N)c1 ZINC000841659417 587969517 /nfs/dbraw/zinc/96/95/17/587969517.db2.gz KKCKDHWEDZDTQU-UHFFFAOYSA-N 1 0 231.303 0.932 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1ccc2c(c1)OCCO2 ZINC000841660700 587969790 /nfs/dbraw/zinc/96/97/90/587969790.db2.gz GQRLWXLKMIHFMD-UHFFFAOYSA-N 1 0 246.270 0.341 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]CCN2)c(C)o1 ZINC000841661269 587969985 /nfs/dbraw/zinc/96/99/85/587969985.db2.gz NLNABSYKRKQYFY-UHFFFAOYSA-N 1 0 206.249 0.779 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc(C#N)cc1 ZINC000841660764 587970382 /nfs/dbraw/zinc/97/03/82/587970382.db2.gz HPDLRCGVGNPMRN-UHFFFAOYSA-N 1 0 227.271 0.831 20 30 BCEDRO COc1ccccc1C(C)=NNC1=[NH+]CCN1 ZINC000841663472 587970905 /nfs/dbraw/zinc/97/09/05/587970905.db2.gz ZAFBXBBRXOATMA-UHFFFAOYSA-N 1 0 232.287 0.968 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc(O)cc1 ZINC000841662887 587970917 /nfs/dbraw/zinc/97/09/17/587970917.db2.gz TYCCQWYFJZQQJX-UHFFFAOYSA-N 1 0 218.260 0.665 20 30 BCEDRO Cc1cc(C)c(C=NNC2=[NH+]CCN2)[nH]1 ZINC000841662570 587971018 /nfs/dbraw/zinc/97/10/18/587971018.db2.gz YNSZPGLCDRXXHL-UHFFFAOYSA-N 1 0 205.265 0.514 20 30 BCEDRO C#CCSCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000841832618 587975333 /nfs/dbraw/zinc/97/53/33/587975333.db2.gz QZAWMPRFAQLGLI-SNVBAGLBSA-N 1 0 241.360 0.389 20 30 BCEDRO C#CCSCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000841830622 587976432 /nfs/dbraw/zinc/97/64/32/587976432.db2.gz JXJYILJGUHLZIB-VIFPVBQESA-N 1 0 227.333 0.014 20 30 BCEDRO C#CCSCCNC(=O)NC1CC[NH2+]CC1 ZINC000841830825 587976439 /nfs/dbraw/zinc/97/64/39/587976439.db2.gz NBHLOLIQQYFKCO-UHFFFAOYSA-N 1 0 241.360 0.404 20 30 BCEDRO C#CCSCCNC(=O)NCC(C)(C)[NH3+] ZINC000841831787 587976984 /nfs/dbraw/zinc/97/69/84/587976984.db2.gz FOOZCNGLYXFBGY-UHFFFAOYSA-N 1 0 229.349 0.389 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CNc1ccccc1 ZINC000841849810 587977970 /nfs/dbraw/zinc/97/79/70/587977970.db2.gz LPMADVFHERPEDP-ZYHUDNBSSA-N 1 0 244.298 0.326 20 30 BCEDRO C#CCCCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000841859453 587978820 /nfs/dbraw/zinc/97/88/20/587978820.db2.gz HTXIKXGOQMEMQL-QWRGUYRKSA-N 1 0 223.320 0.921 20 30 BCEDRO C#CCCCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841861790 587979064 /nfs/dbraw/zinc/97/90/64/587979064.db2.gz ZMRFCFRGCCSZAW-NSHDSACASA-N 1 0 223.320 0.826 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1COC(C)(C)C1 ZINC000841869410 587979437 /nfs/dbraw/zinc/97/94/37/587979437.db2.gz ANSSTGXRKQUPBD-SNVBAGLBSA-N 1 0 247.360 0.744 20 30 BCEDRO C#CCCCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000841886473 587980019 /nfs/dbraw/zinc/98/00/19/587980019.db2.gz NTZLPNZWVGNUTD-NSHDSACASA-N 1 0 223.320 0.699 20 30 BCEDRO C#CCOCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841875196 587980043 /nfs/dbraw/zinc/98/00/43/587980043.db2.gz MMTTZAYDFIJUCI-MNOVXSKESA-N 1 0 239.319 0.205 20 30 BCEDRO C#C[C@@H](NC(=O)NCCC[NH2+]C)[C@@H]1CCCO1 ZINC000841880870 587980181 /nfs/dbraw/zinc/98/01/81/587980181.db2.gz JNOQGCWHPOMXNZ-MNOVXSKESA-N 1 0 239.319 0.076 20 30 BCEDRO C#C[C@H](NC(=O)N(C)[C@H](C)C[NH3+])[C@H]1CCCO1 ZINC000841880911 587980451 /nfs/dbraw/zinc/98/04/51/587980451.db2.gz KGGUEKINYGWCLB-OUAUKWLOSA-N 1 0 239.319 0.156 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H](C)C[NH3+])[C@H]1CCCO1 ZINC000841880468 587980474 /nfs/dbraw/zinc/98/04/74/587980474.db2.gz AGMUFDBJYOZDFU-OUAUKWLOSA-N 1 0 239.319 0.061 20 30 BCEDRO C#CCCCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000841884707 587981018 /nfs/dbraw/zinc/98/10/18/587981018.db2.gz FKMRLTDZDQSSMN-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000841886635 587981373 /nfs/dbraw/zinc/98/13/73/587981373.db2.gz PNAKAHPJQGTOCO-UHFFFAOYSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000841887036 587981379 /nfs/dbraw/zinc/98/13/79/587981379.db2.gz XQXGRHDHAFSDEA-MNOVXSKESA-N 1 0 223.320 0.697 20 30 BCEDRO C=CCONC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000841912896 587984780 /nfs/dbraw/zinc/98/47/80/587984780.db2.gz DBDXBXGRBNLRPE-LBPRGKRZSA-N 1 0 239.319 0.889 20 30 BCEDRO C=CCONC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000841912834 587984851 /nfs/dbraw/zinc/98/48/51/587984851.db2.gz AKZFLZOWQQFPSV-RKDXNWHRSA-N 1 0 213.281 0.401 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841923145 587985455 /nfs/dbraw/zinc/98/54/55/587985455.db2.gz YAXGXHGGGFJDFE-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000841924345 587985480 /nfs/dbraw/zinc/98/54/80/587985480.db2.gz YIMNCZJDTUUUJK-NXEZZACHSA-N 1 0 209.293 0.307 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC000841922187 587985530 /nfs/dbraw/zinc/98/55/30/587985530.db2.gz COXIPVKGMVZUKI-SNVBAGLBSA-N 1 0 223.320 0.969 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000841947711 587986169 /nfs/dbraw/zinc/98/61/69/587986169.db2.gz HCQZLSTXNOHCED-MNOVXSKESA-N 1 0 223.320 0.826 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841966035 587987296 /nfs/dbraw/zinc/98/72/96/587987296.db2.gz OCBNKFQIQFYHLF-MRVPVSSYSA-N 1 0 217.700 0.775 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000841976487 587987594 /nfs/dbraw/zinc/98/75/94/587987594.db2.gz MDZQHRVBPHTGEI-KXUCPTDWSA-N 1 0 209.293 0.305 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841981653 587987632 /nfs/dbraw/zinc/98/76/32/587987632.db2.gz FYTOGWZLSKGSEF-GARJFASQSA-N 1 0 223.320 0.919 20 30 BCEDRO C#CCCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841985569 587987925 /nfs/dbraw/zinc/98/79/25/587987925.db2.gz JLRRZOCPKLLFEZ-NSHDSACASA-N 1 0 223.320 0.826 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841986076 587988062 /nfs/dbraw/zinc/98/80/62/587988062.db2.gz LKGQPLQWURZYAT-ONGXEEELSA-N 1 0 223.320 0.825 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841986072 587988074 /nfs/dbraw/zinc/98/80/74/587988074.db2.gz LKGQPLQWURZYAT-KOLCDFICSA-N 1 0 223.320 0.825 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000842015701 587988874 /nfs/dbraw/zinc/98/88/74/587988874.db2.gz PBHSTSDDQDYCQC-IRCOFANPSA-N 1 0 235.331 0.695 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000842015920 587988885 /nfs/dbraw/zinc/98/88/85/587988885.db2.gz ROAKKQJBKFXCOI-SDDRHHMPSA-N 1 0 235.331 0.697 20 30 BCEDRO C=CCN(C(=O)NC[C@@H]1C[NH2+]CCO1)C(C)C ZINC000842010137 587989035 /nfs/dbraw/zinc/98/90/35/587989035.db2.gz DHDLQVDOYFPQGM-NSHDSACASA-N 1 0 241.335 0.581 20 30 BCEDRO C#Cc1cnc(NCC2([NH+](C)C)CC2)nc1 ZINC000842047051 587992730 /nfs/dbraw/zinc/99/27/30/587992730.db2.gz OAXFGXDXCQSVDN-UHFFFAOYSA-N 1 0 216.288 0.964 20 30 BCEDRO C=CCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000842170824 588005999 /nfs/dbraw/zinc/00/59/99/588005999.db2.gz CVTLSROURIUCQD-WDEREUQCSA-N 1 0 241.335 0.269 20 30 BCEDRO C#CC[C@H]1NC(=O)N(CC2([NH+](C)C)CCC2)C1=O ZINC000842241826 588008499 /nfs/dbraw/zinc/00/84/99/588008499.db2.gz ASOJSSJBDDICHH-SNVBAGLBSA-N 1 0 249.314 0.414 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1cc2n(n1)CCCC2 ZINC000842536018 588035708 /nfs/dbraw/zinc/03/57/08/588035708.db2.gz MCEQSORTPRVDOM-UHFFFAOYSA-N 1 0 246.318 0.492 20 30 BCEDRO CCN(CCO)N=C1C[C@@H](C)N(C2CC2)C1 ZINC000842537996 588036421 /nfs/dbraw/zinc/03/64/21/588036421.db2.gz FICLSDQBSITASQ-SNVBAGLBSA-N 1 0 225.336 0.913 20 30 BCEDRO C=CCn1cc(-c2nc([C@H](C)C[NH2+]C)no2)nn1 ZINC000842580393 588044089 /nfs/dbraw/zinc/04/40/89/588044089.db2.gz GJDSJGZTGSXDFE-MRVPVSSYSA-N 1 0 248.290 0.837 20 30 BCEDRO C#CCOCCc1nc(C2([NH3+])CCC2)no1 ZINC000842617940 588046127 /nfs/dbraw/zinc/04/61/27/588046127.db2.gz PCCVXFAOWVYQKF-UHFFFAOYSA-N 1 0 221.260 0.600 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)CCOCC ZINC000843103052 588081638 /nfs/dbraw/zinc/08/16/38/588081638.db2.gz YCTOMHCJKBFPSH-NWDGAFQWSA-N 1 0 229.320 0.138 20 30 BCEDRO C#CC1CC[NH+]([C@H]2CC(=O)N(C3CC3)C2=O)CC1 ZINC000843269718 588096709 /nfs/dbraw/zinc/09/67/09/588096709.db2.gz QPCSOWLAVULLKM-LBPRGKRZSA-N 1 0 246.310 0.622 20 30 BCEDRO C=CCN(CC=C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843358262 588103571 /nfs/dbraw/zinc/10/35/71/588103571.db2.gz JVGLRRZKHPYHAH-GFCCVEGCSA-N 1 0 238.331 0.956 20 30 BCEDRO CCN(OC)C(=O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000843431037 588106510 /nfs/dbraw/zinc/10/65/10/588106510.db2.gz VNPFCPKCUAHECK-UWVGGRQHSA-N 1 0 225.292 0.678 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000843440830 588110119 /nfs/dbraw/zinc/11/01/19/588110119.db2.gz GTRVDYTZPTWSSX-SSDOTTSWSA-N 1 0 220.276 0.360 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(C(F)F)CC1 ZINC000843461704 588112255 /nfs/dbraw/zinc/11/22/55/588112255.db2.gz WHDYCANUYPUPPM-BQBZGAKWSA-N 1 0 229.230 0.259 20 30 BCEDRO Cc1[nH]ccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000843461519 588112486 /nfs/dbraw/zinc/11/24/86/588112486.db2.gz VEWJFFOBILECKB-SCZZXKLOSA-N 1 0 218.260 0.165 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C/c1cccs1 ZINC000843463779 588113067 /nfs/dbraw/zinc/11/30/67/588113067.db2.gz XWEUCMSGXQZRQP-IDFWJGBYSA-N 1 0 247.323 0.989 20 30 BCEDRO C#CCN1CCN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)CC1 ZINC000843797832 588141126 /nfs/dbraw/zinc/14/11/26/588141126.db2.gz MTACCROWLPCJDJ-CHWSQXEVSA-N 1 0 249.358 0.104 20 30 BCEDRO C#C[C@@H](CC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843864323 588146494 /nfs/dbraw/zinc/14/64/94/588146494.db2.gz JIZQIZLAWXLVMM-OUAUKWLOSA-N 1 0 208.305 0.855 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccc(CO)cc1 ZINC000843969647 588152549 /nfs/dbraw/zinc/15/25/49/588152549.db2.gz SCXYONHBOSRGSA-UHFFFAOYSA-N 1 0 248.326 0.913 20 30 BCEDRO C#CCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000844271388 588178656 /nfs/dbraw/zinc/17/86/56/588178656.db2.gz HISNBIFQAFPRSA-JQWIXIFHSA-N 1 0 221.304 0.390 20 30 BCEDRO C#CCNC(=O)NCCC[N@@H+](C)CC(C)C ZINC000844277972 588179258 /nfs/dbraw/zinc/17/92/58/588179258.db2.gz IWUIFURKEDNUML-UHFFFAOYSA-N 1 0 225.336 0.897 20 30 BCEDRO C=C[C@H](C)ONC(=O)NCCN1CCOCC1 ZINC000844281651 588180141 /nfs/dbraw/zinc/18/01/41/588180141.db2.gz ONGWTPHKUXSENF-JTQLQIEISA-N 1 0 243.307 0.124 20 30 BCEDRO C[C@]1(C#N)CCCN(C(=O)[C@H](O)c2cnc[nH]2)C1 ZINC000867363199 588213078 /nfs/dbraw/zinc/21/30/78/588213078.db2.gz MDWMDJPZYIERIH-ZYHUDNBSSA-N 1 0 248.286 0.595 20 30 BCEDRO N#CCCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000846164850 588259010 /nfs/dbraw/zinc/25/90/10/588259010.db2.gz YEXMGWNEPHKXOZ-UHFFFAOYSA-N 1 0 224.308 0.670 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H]2[C@@H](C1)C2(F)F ZINC000846601601 588279075 /nfs/dbraw/zinc/27/90/75/588279075.db2.gz GLDAYHODMDQZJG-DTORHVGOSA-N 1 0 230.258 0.828 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@H]1C1CCC1 ZINC000846676336 588282149 /nfs/dbraw/zinc/28/21/49/588282149.db2.gz CRVYPBRFPVBNRG-NNYUYHANSA-N 1 0 233.315 0.650 20 30 BCEDRO C=CCCn1cc(CN2CC[N@H+](C)[C@@H](C)C2)nn1 ZINC000846838260 588292112 /nfs/dbraw/zinc/29/21/12/588292112.db2.gz YGKPSICXTOSHMR-LBPRGKRZSA-N 1 0 249.362 0.990 20 30 BCEDRO C#C[C@H](NC[C@@H](O)C[N@@H+](C)CC)[C@H]1CCCO1 ZINC000846856863 588293741 /nfs/dbraw/zinc/29/37/41/588293741.db2.gz DMSOPPVGUWSSJJ-FRRDWIJNSA-N 1 0 240.347 0.069 20 30 BCEDRO C#CCCC[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000846921322 588296979 /nfs/dbraw/zinc/29/69/79/588296979.db2.gz SOYYFYAILNDRAE-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CCN(OC)CC1 ZINC000846977489 588299964 /nfs/dbraw/zinc/29/99/64/588299964.db2.gz RSUHXSBPKVAYFT-LLVKDONJSA-N 1 0 214.309 0.493 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCN1CCOC1=O ZINC000846993468 588300786 /nfs/dbraw/zinc/30/07/86/588300786.db2.gz NLPCKZHFJORWDT-SECBINFHSA-N 1 0 211.265 0.720 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000847019368 588301774 /nfs/dbraw/zinc/30/17/74/588301774.db2.gz PJXUZLPURAHROS-NEPJUHHUSA-N 1 0 241.356 0.766 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)COCCOC)C1 ZINC000847020136 588302075 /nfs/dbraw/zinc/30/20/75/588302075.db2.gz WEGWUEYPCGXKMA-STQMWFEESA-N 1 0 241.331 0.356 20 30 BCEDRO C#C[C@@H]1CCCN(C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000847019390 588302147 /nfs/dbraw/zinc/30/21/47/588302147.db2.gz PRQWIKLPXVHIIC-OLZOCXBDSA-N 1 0 224.348 0.644 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000847023269 588303054 /nfs/dbraw/zinc/30/30/54/588303054.db2.gz ZXINWNFFAJFUPB-QWRGUYRKSA-N 1 0 206.289 0.610 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000847022705 588303127 /nfs/dbraw/zinc/30/31/27/588303127.db2.gz JHNIFBFANGZABU-STQMWFEESA-N 1 0 233.315 0.589 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)NCCC#N)C1 ZINC000847024886 588303485 /nfs/dbraw/zinc/30/34/85/588303485.db2.gz UGTPEIOGPHMWSJ-NSHDSACASA-N 1 0 219.288 0.361 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCC(=O)NCC)C1 ZINC000847024897 588303631 /nfs/dbraw/zinc/30/36/31/588303631.db2.gz UJBICLCDJPRGTF-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000847025038 588303830 /nfs/dbraw/zinc/30/38/30/588303830.db2.gz BDEUFQDMBPYQPY-NXEZZACHSA-N 1 0 237.303 0.176 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000847025046 588303944 /nfs/dbraw/zinc/30/39/44/588303944.db2.gz BDEUFQDMBPYQPY-VHSXEESVSA-N 1 0 237.303 0.176 20 30 BCEDRO C[C@@H](CO)NN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848406559 588378456 /nfs/dbraw/zinc/37/84/56/588378456.db2.gz GYXSJODRYYYUIH-JQWIXIFHSA-N 1 0 225.336 0.961 20 30 BCEDRO C=CCONC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848598033 588401488 /nfs/dbraw/zinc/40/14/88/588401488.db2.gz GVDOGWQOFRLZIC-RXMQYKEDSA-N 1 0 227.186 0.293 20 30 BCEDRO C#C[C@@H]1CCCN(C(=S)NCC[NH+](C)C)C1 ZINC000848649109 588403939 /nfs/dbraw/zinc/40/39/39/588403939.db2.gz ZYHLWWXNAKSCAC-LLVKDONJSA-N 1 0 239.388 0.768 20 30 BCEDRO C#CCCCNc1ncnc(N)c1OC ZINC000848669783 588404654 /nfs/dbraw/zinc/40/46/54/588404654.db2.gz IWDVLAYSZKSCQD-UHFFFAOYSA-N 1 0 206.249 0.893 20 30 BCEDRO C[NH+]=C(NC[C@@H](O)COCC(C)C)NC1CC1 ZINC000848990559 588427036 /nfs/dbraw/zinc/42/70/36/588427036.db2.gz FUKRSEUIIMOAGA-LLVKDONJSA-N 1 0 243.351 0.347 20 30 BCEDRO CC(C)NC(=[NH2+])NCCNc1ccc(C#N)cn1 ZINC000848991633 588427274 /nfs/dbraw/zinc/42/72/74/588427274.db2.gz WJPBBRWXXWJURX-UHFFFAOYSA-N 1 0 246.318 0.888 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cc(C)ncn1 ZINC000848994468 588428165 /nfs/dbraw/zinc/42/81/65/588428165.db2.gz WAWLRGFFLTUIEP-UHFFFAOYSA-N 1 0 205.265 0.585 20 30 BCEDRO C[C@H](CNC1=[NH+]C[C@@H](C)N1)Cn1cccn1 ZINC000848994732 588428663 /nfs/dbraw/zinc/42/86/63/588428663.db2.gz ZZLRJBMSEQSXDD-NXEZZACHSA-N 1 0 221.308 0.457 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](C)Cn1cccn1 ZINC000848994594 588428841 /nfs/dbraw/zinc/42/88/41/588428841.db2.gz QMKOZJGLRUPFLW-SNVBAGLBSA-N 1 0 221.308 0.819 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCNc2ncccn2)N1 ZINC000849000520 588430978 /nfs/dbraw/zinc/43/09/78/588430978.db2.gz XWPIZLWSEVLZSY-SECBINFHSA-N 1 0 234.307 0.216 20 30 BCEDRO C[C@H](C#N)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849003937 588431720 /nfs/dbraw/zinc/43/17/20/588431720.db2.gz OTBSUUHZRVOSRI-RKDXNWHRSA-N 1 0 210.281 0.391 20 30 BCEDRO CCNC(NCCN1CCOC[C@H]1C)=[NH+]CC ZINC000849003316 588431162 /nfs/dbraw/zinc/43/11/62/588431162.db2.gz FVTNYBAQGZWGHY-LLVKDONJSA-N 1 0 242.367 0.282 20 30 BCEDRO CN(C)C(=[NH+]CCC(=O)NC(C)(C)C)N(C)C ZINC000849003628 588431345 /nfs/dbraw/zinc/43/13/45/588431345.db2.gz WVPUUFSZIOVTRT-UHFFFAOYSA-N 1 0 242.367 0.770 20 30 BCEDRO Cc1noc(CCC[NH+]=C(N(C)C)N(C)C)n1 ZINC000849001973 588431434 /nfs/dbraw/zinc/43/14/34/588431434.db2.gz DXJAVGXRACHWOB-UHFFFAOYSA-N 1 0 239.323 0.790 20 30 BCEDRO CN(C)C(=[NH+]C[C@@]1(O)CCSC1)N(C)C ZINC000849004349 588431866 /nfs/dbraw/zinc/43/18/66/588431866.db2.gz MSWXIDOEFVZOSQ-JTQLQIEISA-N 1 0 231.365 0.334 20 30 BCEDRO CN(C)C(=[NH+]C[C@]1(O)CCSC1)N(C)C ZINC000849004350 588431876 /nfs/dbraw/zinc/43/18/76/588431876.db2.gz MSWXIDOEFVZOSQ-SNVBAGLBSA-N 1 0 231.365 0.334 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCOC[C@@H]2CCCO2)N1 ZINC000849005257 588432059 /nfs/dbraw/zinc/43/20/59/588432059.db2.gz IKYTWENSZQOGKU-ZJUUUORDSA-N 1 0 227.308 0.119 20 30 BCEDRO CN(C)C(=[NH+]CCOC[C@H]1CCOC1)N(C)C ZINC000849006812 588432961 /nfs/dbraw/zinc/43/29/61/588432961.db2.gz WDSAHAVYQXMFQN-NSHDSACASA-N 1 0 243.351 0.519 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cc(C)n[nH]1 ZINC000849007437 588432978 /nfs/dbraw/zinc/43/29/78/588432978.db2.gz NVNYMJIZDAPOKI-UHFFFAOYSA-N 1 0 207.281 0.908 20 30 BCEDRO CCc1cc(C[NH+]=C(N(C)C)N(C)C)[nH]n1 ZINC000849007806 588433616 /nfs/dbraw/zinc/43/36/16/588433616.db2.gz TYSUYSCBCCDDKI-UHFFFAOYSA-N 1 0 223.324 0.951 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@]1(CCO)CCOC1 ZINC000849013121 588435858 /nfs/dbraw/zinc/43/58/58/588435858.db2.gz BSSKZTLYBDHBPA-LBPRGKRZSA-N 1 0 241.335 0.466 20 30 BCEDRO C=CC[C@@H](CO)C[NH+]=C(N(C)C)N(C)C ZINC000849015989 588437057 /nfs/dbraw/zinc/43/70/57/588437057.db2.gz MMUCOVJATAMTTR-SNVBAGLBSA-N 1 0 213.325 0.650 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCC(C)(C)C#N ZINC000849017147 588437448 /nfs/dbraw/zinc/43/74/48/588437448.db2.gz GWZNIICYRDWSCM-MRVPVSSYSA-N 1 0 212.297 0.685 20 30 BCEDRO C[NH+]=C(NCc1cn(C)nn1)NCc1ccco1 ZINC000849017372 588437451 /nfs/dbraw/zinc/43/74/51/588437451.db2.gz FNAKNAXHZXNUDR-UHFFFAOYSA-N 1 0 248.290 0.273 20 30 BCEDRO CNC(NCC1([C@H](C)CCO)CCC1)=[NH+]C ZINC000849016874 588437472 /nfs/dbraw/zinc/43/74/72/588437472.db2.gz OHMCKVSCBHHTFJ-SNVBAGLBSA-N 1 0 227.352 0.970 20 30 BCEDRO CO[C@@H](CCNC1=[NH+]CCN1C)C(F)(F)F ZINC000849021355 588438838 /nfs/dbraw/zinc/43/88/38/588438838.db2.gz IAIPNRNSAIZSER-ZETCQYMHSA-N 1 0 239.241 0.845 20 30 BCEDRO C[NH+]=C(NCCOC(F)(F)F)NC1CC1 ZINC000849021364 588438881 /nfs/dbraw/zinc/43/88/81/588438881.db2.gz HVQWPIUUDYKGIR-UHFFFAOYSA-N 1 0 225.214 0.850 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000849020939 588438891 /nfs/dbraw/zinc/43/88/91/588438891.db2.gz XJUKRZIJJLFJNR-UHFFFAOYSA-N 1 0 203.249 0.587 20 30 BCEDRO CNC(NCc1ccc(C#N)cn1)=[NH+]C ZINC000849020847 588438994 /nfs/dbraw/zinc/43/89/94/588438994.db2.gz PCPDEXSSJXIWPZ-UHFFFAOYSA-N 1 0 203.249 0.248 20 30 BCEDRO CN1CCC[NH+]=C1NCc1ccc(C#N)cn1 ZINC000849020893 588439015 /nfs/dbraw/zinc/43/90/15/588439015.db2.gz SNZHEKAKPSYNJI-UHFFFAOYSA-N 1 0 229.287 0.734 20 30 BCEDRO CNC(N[C@@H](C)CNC(=O)OC(C)(C)C)=[NH+]C ZINC000849022288 588439207 /nfs/dbraw/zinc/43/92/07/588439207.db2.gz OEZHRIQLWBHTBM-QMMMGPOBSA-N 1 0 244.339 0.694 20 30 BCEDRO CNC(NCCOCC(F)(F)C(F)F)=[NH+]C ZINC000849023152 588439611 /nfs/dbraw/zinc/43/96/11/588439611.db2.gz QCRYCFVVIYGEIZ-UHFFFAOYSA-N 1 0 245.220 0.698 20 30 BCEDRO N#CC1(CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000849025890 588440570 /nfs/dbraw/zinc/44/05/70/588440570.db2.gz KQYLNBVTFVSZNK-VIFPVBQESA-N 1 0 222.292 0.583 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCC1(CC#N)CC1 ZINC000849025935 588440773 /nfs/dbraw/zinc/44/07/73/588440773.db2.gz OUSKIPVARXGZIX-SECBINFHSA-N 1 0 224.308 0.829 20 30 BCEDRO CC(C)[C@H](CO)C[NH+]=C(N(C)C)N(C)C ZINC000849028220 588441576 /nfs/dbraw/zinc/44/15/76/588441576.db2.gz FGYPJLZPQYCRFH-JTQLQIEISA-N 1 0 215.341 0.730 20 30 BCEDRO C=CCNC(=[NH2+])NCCCc1cnn(C)n1 ZINC000849030189 588442473 /nfs/dbraw/zinc/44/24/73/588442473.db2.gz CVTGXKIXFDMMHU-UHFFFAOYSA-N 1 0 222.296 0.048 20 30 BCEDRO C[NH+]=C(NCC[C@@H](C)CCO)NC1CC1 ZINC000849031845 588442957 /nfs/dbraw/zinc/44/29/57/588442957.db2.gz HAGNKWVPLNWGDZ-SECBINFHSA-N 1 0 213.325 0.722 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1nccnc1C ZINC000849033170 588443748 /nfs/dbraw/zinc/44/37/48/588443748.db2.gz DNHUIESRCBOWJO-UHFFFAOYSA-N 1 0 219.292 0.627 20 30 BCEDRO COC[C@](C)(O)CC[NH+]=C(N(C)C)N(C)C ZINC000849033857 588443949 /nfs/dbraw/zinc/44/39/49/588443949.db2.gz CLYDGUMKNKSHLH-LLVKDONJSA-N 1 0 231.340 0.253 20 30 BCEDRO C[NH+]=C(NCCC(C)(C)CO)NC1CC1 ZINC000849035064 588444639 /nfs/dbraw/zinc/44/46/39/588444639.db2.gz ONQJRYGBDOBTAP-UHFFFAOYSA-N 1 0 213.325 0.722 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nnc(C2CC2)[nH]1 ZINC000849034897 588444698 /nfs/dbraw/zinc/44/46/98/588444698.db2.gz MEQIWZPDTDKROU-UHFFFAOYSA-N 1 0 220.280 0.482 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nccn1CC ZINC000849035791 588444952 /nfs/dbraw/zinc/44/49/52/588444952.db2.gz IGPJCKVILNPJHK-UHFFFAOYSA-N 1 0 207.281 0.703 20 30 BCEDRO CCOC(=O)COCC[NH+]=C(N(C)C)N(C)C ZINC000849035737 588445010 /nfs/dbraw/zinc/44/50/10/588445010.db2.gz GPJMRRWQYAOQDR-UHFFFAOYSA-N 1 0 245.323 0.045 20 30 BCEDRO C[NH+]=C(NCCC1(CO)CC1)NC1CC1 ZINC000849037444 588445854 /nfs/dbraw/zinc/44/58/54/588445854.db2.gz GSKDSXSXTKIJDX-UHFFFAOYSA-N 1 0 211.309 0.476 20 30 BCEDRO C#Cc1cccc(CNC(=[NH2+])NCCOC)c1 ZINC000849038677 588446253 /nfs/dbraw/zinc/44/62/53/588446253.db2.gz XTHWPVVPAUUTNP-UHFFFAOYSA-N 1 0 231.299 0.928 20 30 BCEDRO CCNC(NC[C@H]1CCC[C@@H]1O)=[NH+]CC ZINC000849039829 588447228 /nfs/dbraw/zinc/44/72/28/588447228.db2.gz UBGYYKVTARIXFN-ZJUUUORDSA-N 1 0 213.325 0.722 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCc1cn(C)cn1 ZINC000849040097 588447323 /nfs/dbraw/zinc/44/73/23/588447323.db2.gz KJRIGRLBYFVMQL-UHFFFAOYSA-N 1 0 221.308 0.653 20 30 BCEDRO CNC(NC[C@H](CC(C)C)OC)=[NH+]C ZINC000849043441 588448734 /nfs/dbraw/zinc/44/87/34/588448734.db2.gz LBPHVFWPOXGMBA-VIFPVBQESA-N 1 0 201.314 0.842 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])N(CC)CC)nn1 ZINC000849044582 588449070 /nfs/dbraw/zinc/44/90/70/588449070.db2.gz YDRJHWKAIRUDIG-UHFFFAOYSA-N 1 0 236.323 0.830 20 30 BCEDRO CNC(NC[C@]1(CO)CCc2ccccc21)=[NH+]C ZINC000849046491 588450274 /nfs/dbraw/zinc/45/02/74/588450274.db2.gz HJBJZFOHSMRAAF-AWEZNQCLSA-N 1 0 247.342 0.658 20 30 BCEDRO C[C@@H](CNC1=[NH+]C[C@@H](C)N1)C(=O)OC(C)(C)C ZINC000849048380 588451087 /nfs/dbraw/zinc/45/10/87/588451087.db2.gz CAQVYDNEHXEGAQ-DTWKUNHWSA-N 1 0 241.335 0.902 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC[C@]1(O)CCCOC1 ZINC000849049500 588451426 /nfs/dbraw/zinc/45/14/26/588451426.db2.gz ROXQZIKAZAUVQW-GFCCVEGCSA-N 1 0 241.335 0.608 20 30 BCEDRO C=CCNC(=[NH2+])NCC[C@]1(O)CCCOC1 ZINC000849049097 588451461 /nfs/dbraw/zinc/45/14/61/588451461.db2.gz MVMXMUATTSQZSN-LLVKDONJSA-N 1 0 227.308 0.218 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CN(C2CC2)C(=O)O1 ZINC000849050403 588451788 /nfs/dbraw/zinc/45/17/88/588451788.db2.gz QBAPJAVTOVMTTA-VIFPVBQESA-N 1 0 238.291 0.270 20 30 BCEDRO C#Cc1cccc(NC(=O)CNC(=[NH2+])NCC)c1 ZINC000849071523 588452278 /nfs/dbraw/zinc/45/22/78/588452278.db2.gz DGVRCFIFQAGURK-UHFFFAOYSA-N 1 0 244.298 0.740 20 30 BCEDRO CCNC(NC[C@H](O)[C@H](C)CC)=[NH+]CC ZINC000849214547 588461289 /nfs/dbraw/zinc/46/12/89/588461289.db2.gz NYLIULLTCYDFLQ-ZJUUUORDSA-N 1 0 215.341 0.968 20 30 BCEDRO CNC(NC[C@@H](C)c1ccncc1)=[NH+]C ZINC000849214550 588461762 /nfs/dbraw/zinc/46/17/62/588461762.db2.gz PFDBLBYWDPKCCR-SECBINFHSA-N 1 0 206.293 0.980 20 30 BCEDRO CNC(NCC[S@](=O)CC(F)(F)F)=[NH+]C ZINC000849215062 588461778 /nfs/dbraw/zinc/46/17/78/588461778.db2.gz LIJQMXDNEOVMAW-HNNXBMFYSA-N 1 0 245.270 0.092 20 30 BCEDRO CNC(NCC(C)(C)[C@H](O)C(C)C)=[NH+]C ZINC000849214701 588461810 /nfs/dbraw/zinc/46/18/10/588461810.db2.gz HGMZZFQVCBBOOY-SECBINFHSA-N 1 0 215.341 0.824 20 30 BCEDRO C=CCOCCCNC(=S)NCC[NH+](C)C ZINC000849294523 588470586 /nfs/dbraw/zinc/47/05/86/588470586.db2.gz HZGBCYLCJLDMNQ-UHFFFAOYSA-N 1 0 245.392 0.605 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@H]2CCNC2=O)cc1 ZINC000850344108 588537991 /nfs/dbraw/zinc/53/79/91/588537991.db2.gz XBVYTVIZCJYABE-LBPRGKRZSA-N 1 0 214.268 0.646 20 30 BCEDRO C#CCOc1ccc(C[NH2+][C@H]2CCNC2=O)cc1 ZINC000850344087 588538267 /nfs/dbraw/zinc/53/82/67/588538267.db2.gz WOVHGLRRNHOOSF-ZDUSSCGKSA-N 1 0 244.294 0.677 20 30 BCEDRO C=CCOCCC[NH2+]Cc1cnn(CC)n1 ZINC000850377479 588541686 /nfs/dbraw/zinc/54/16/86/588541686.db2.gz DSKMWZAFMQNZAJ-UHFFFAOYSA-N 1 0 224.308 0.980 20 30 BCEDRO C#CCOCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000851658625 588613326 /nfs/dbraw/zinc/61/33/26/588613326.db2.gz HJBJVERIITXWHW-UHFFFAOYSA-N 1 0 227.308 0.015 20 30 BCEDRO C#CCCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000851659198 588613455 /nfs/dbraw/zinc/61/34/55/588613455.db2.gz MXRSBKSFWQTBIV-UHFFFAOYSA-N 1 0 211.309 0.779 20 30 BCEDRO C#C[C@@H](NC(=O)N1CC2CC1(C[NH3+])C2)C(C)C ZINC000851662673 588613540 /nfs/dbraw/zinc/61/35/40/588613540.db2.gz YYPDOCJNPSYPPV-QWKFWESOSA-N 1 0 235.331 0.777 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@H](C)C[NH2+]C)C(C)C ZINC000851660915 588613694 /nfs/dbraw/zinc/61/36/94/588613694.db2.gz BOPRNUJLBGTKFL-NXEZZACHSA-N 1 0 211.309 0.551 20 30 BCEDRO C=CCOCCCNC(=O)N(C)CC[NH2+]C ZINC000851674712 588614539 /nfs/dbraw/zinc/61/45/39/588614539.db2.gz IYZVRMWMMBAWER-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@H](C)C[NH2+]C ZINC000851680206 588614665 /nfs/dbraw/zinc/61/46/65/588614665.db2.gz GEXJKPHKNBQDGQ-SSDOTTSWSA-N 1 0 205.689 0.646 20 30 BCEDRO C=CCN(C(=O)C(=O)N[C@@H](C)C[NH2+]C)C(C)C ZINC000851690322 588614765 /nfs/dbraw/zinc/61/47/65/588614765.db2.gz AQOQDJYYNZXMDE-JTQLQIEISA-N 1 0 241.335 0.134 20 30 BCEDRO C#CCN(C(=O)N[C@H](C)C[NH2+]C)C1CC1 ZINC000851680113 588614775 /nfs/dbraw/zinc/61/47/75/588614775.db2.gz GMZJPQKNMGSTAQ-SECBINFHSA-N 1 0 209.293 0.402 20 30 BCEDRO C#CCOCC[N@H+]1CCCN(C(C)=O)CC1 ZINC000851710410 588615330 /nfs/dbraw/zinc/61/53/30/588615330.db2.gz LQHBXSOEPCHJBP-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO C#CCOCC[NH+](CCOC)CCOC ZINC000851713844 588615927 /nfs/dbraw/zinc/61/59/27/588615927.db2.gz BNVHKJKGQMSXFT-UHFFFAOYSA-N 1 0 215.293 0.231 20 30 BCEDRO C=CC[N@@H+](CCN1C(=O)CN(C)C1=O)C(C)C ZINC000851730605 588618916 /nfs/dbraw/zinc/61/89/16/588618916.db2.gz FCJWXJGTWXRJQS-UHFFFAOYSA-N 1 0 239.319 0.777 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000851807093 588631691 /nfs/dbraw/zinc/63/16/91/588631691.db2.gz CYOWKVBIEBVBHP-GFCCVEGCSA-N 1 0 209.289 0.749 20 30 BCEDRO C#CCOCC[NH2+][C@](C)(CCO)COC ZINC000851808952 588632109 /nfs/dbraw/zinc/63/21/09/588632109.db2.gz RSJCUCZMSAKOSS-LLVKDONJSA-N 1 0 215.293 0.013 20 30 BCEDRO C#CCOCC[N@@H+](C)C1(C(N)=O)CCCC1 ZINC000851868175 588633332 /nfs/dbraw/zinc/63/33/32/588633332.db2.gz PCGOAPFNMWJJNY-UHFFFAOYSA-N 1 0 224.304 0.366 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000851860096 588635837 /nfs/dbraw/zinc/63/58/37/588635837.db2.gz FRPWWONGJSBWTE-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000851862330 588636277 /nfs/dbraw/zinc/63/62/77/588636277.db2.gz XMEVADFXTDTBFE-LLVKDONJSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000851867335 588636653 /nfs/dbraw/zinc/63/66/53/588636653.db2.gz DSNBJRNEVAAALH-GFCCVEGCSA-N 1 0 233.315 0.859 20 30 BCEDRO C#CCOCC[NH+]1CCC(OCCO)CC1 ZINC000851870067 588637384 /nfs/dbraw/zinc/63/73/84/588637384.db2.gz ZGRYTNHEVPEEDI-UHFFFAOYSA-N 1 0 227.304 0.110 20 30 BCEDRO C#CCOCCN1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000851878337 588638889 /nfs/dbraw/zinc/63/88/89/588638889.db2.gz BIKOHQQDLIXKPC-NEPJUHHUSA-N 1 0 242.388 0.614 20 30 BCEDRO C#CCOCC[N@H+]1CCSC[C@H]1CO ZINC000851883329 588639282 /nfs/dbraw/zinc/63/92/82/588639282.db2.gz FAOSTTJNURPKKK-SNVBAGLBSA-N 1 0 215.318 0.046 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000851925996 588644578 /nfs/dbraw/zinc/64/45/78/588644578.db2.gz GXQUPYVHVPVLLN-JTQLQIEISA-N 1 0 246.738 0.999 20 30 BCEDRO C#CCOCCN[C@@H](C(=O)OC)[C@@H](C)CC ZINC000851929422 588644748 /nfs/dbraw/zinc/64/47/48/588644748.db2.gz YWPMYPYUDXLLKL-WDEREUQCSA-N 1 0 227.304 0.814 20 30 BCEDRO C#C[C@H]([NH2+]CCOC(F)F)[C@@H]1CCCO1 ZINC000851949161 588646887 /nfs/dbraw/zinc/64/68/87/588646887.db2.gz BBWYLUZVZPSYJJ-IUCAKERBSA-N 1 0 219.231 0.996 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)c1ccccn1)[C@H]1CCCO1 ZINC000851949598 588647212 /nfs/dbraw/zinc/64/72/12/588647212.db2.gz GPOBDZODDTVJPW-IACUBPJLSA-N 1 0 246.310 0.885 20 30 BCEDRO C#CCOCC[NH+]1CCC(Cn2cncn2)CC1 ZINC000851955491 588647301 /nfs/dbraw/zinc/64/73/01/588647301.db2.gz HEINHNVFCBGQRE-UHFFFAOYSA-N 1 0 248.330 0.640 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000851974967 588649998 /nfs/dbraw/zinc/64/99/98/588649998.db2.gz MRRMAPWBVJABPD-SRVKXCTJSA-N 1 0 236.315 0.222 20 30 BCEDRO C#CCN(C)[C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000851977973 588650556 /nfs/dbraw/zinc/65/05/56/588650556.db2.gz IQIYJLBMNJMIAU-SDDRHHMPSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CCOCC[N@@H+](C)C1(CO)CCOCC1 ZINC000851980556 588650853 /nfs/dbraw/zinc/65/08/53/588650853.db2.gz ULZXWQOSXAVZOU-UHFFFAOYSA-N 1 0 227.304 0.110 20 30 BCEDRO C#CC[N@@H+](C)CCN1C[C@@H](C)O[C@H](C)C1 ZINC000851978161 588650987 /nfs/dbraw/zinc/65/09/87/588650987.db2.gz KKYDCKAPNOGSCK-VXGBXAGGSA-N 1 0 210.321 0.661 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000851983998 588651277 /nfs/dbraw/zinc/65/12/77/588651277.db2.gz OPQFZXWIRJDFCU-NWDGAFQWSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCC[C@H]1CCO ZINC000851983999 588651564 /nfs/dbraw/zinc/65/15/64/588651564.db2.gz OPQFZXWIRJDFCU-RYUDHWBXSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H](CO)COC(C)C ZINC000851986653 588651644 /nfs/dbraw/zinc/65/16/44/588651644.db2.gz DANPSLNWXISWSR-GFCCVEGCSA-N 1 0 229.320 0.354 20 30 BCEDRO C#CCOCC[NH2+][C@]1(CCOC)CCOC1 ZINC000851991988 588653011 /nfs/dbraw/zinc/65/30/11/588653011.db2.gz HJHDBKMCFDYZQU-GFCCVEGCSA-N 1 0 227.304 0.421 20 30 BCEDRO C#CCOCCN(CC)Cc1ccn(CC#C)n1 ZINC000851996289 588653528 /nfs/dbraw/zinc/65/35/28/588653528.db2.gz MDPJTMXOJMGEDN-UHFFFAOYSA-N 1 0 245.326 0.988 20 30 BCEDRO C#CCOCC[NH2+][C@H](c1nncn1C)C(C)C ZINC000852040079 588657022 /nfs/dbraw/zinc/65/70/22/588657022.db2.gz QIYSIJIAWVRRPX-NSHDSACASA-N 1 0 236.319 0.752 20 30 BCEDRO CC#CC[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000852094449 588661216 /nfs/dbraw/zinc/66/12/16/588661216.db2.gz LNOBDADMAGAMJR-AWEZNQCLSA-N 1 0 246.310 0.315 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC000852096807 588662027 /nfs/dbraw/zinc/66/20/27/588662027.db2.gz FTZRDKTXFQMPHE-YPMHNXCESA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCC(=O)NC1=O ZINC000852100777 588662730 /nfs/dbraw/zinc/66/27/30/588662730.db2.gz IVRZQYNMFDZHTL-LDYMZIIASA-N 1 0 208.261 0.183 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1(CCO)CCCC1 ZINC000852119682 588665095 /nfs/dbraw/zinc/66/50/95/588665095.db2.gz FFESHNDYXVKHKD-UHFFFAOYSA-N 1 0 238.331 0.411 20 30 BCEDRO C#CCOCC[N@@H+](C)C1CCN(OC)CC1 ZINC000852155537 588667922 /nfs/dbraw/zinc/66/79/22/588667922.db2.gz JROLYFNPTNGBMI-UHFFFAOYSA-N 1 0 226.320 0.594 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC000852209044 588672219 /nfs/dbraw/zinc/67/22/19/588672219.db2.gz MXDCKPGYETXLBG-WDEREUQCSA-N 1 0 238.287 0.067 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000852214926 588673197 /nfs/dbraw/zinc/67/31/97/588673197.db2.gz ACVXYULOQJNCLY-MNOVXSKESA-N 1 0 206.289 0.468 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000852216273 588673267 /nfs/dbraw/zinc/67/32/67/588673267.db2.gz XZFJJKYTQAOBPV-NSHDSACASA-N 1 0 249.314 0.226 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000852264084 588675075 /nfs/dbraw/zinc/67/50/75/588675075.db2.gz XJCCGMDAWGMCJT-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCC[N@@H+](CCOCCO)C1CCC1 ZINC000852289801 588676384 /nfs/dbraw/zinc/67/63/84/588676384.db2.gz CPEXUZUGYRJSPT-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852298285 588677324 /nfs/dbraw/zinc/67/73/24/588677324.db2.gz XWHXFEBTEDCWST-GFCCVEGCSA-N 1 0 236.315 0.793 20 30 BCEDRO C#CC[NH2+][C@H](CO)[C@H]1CCC[C@H](OC)C1 ZINC000852349563 588679279 /nfs/dbraw/zinc/67/92/79/588679279.db2.gz KSTZESPOMSNCSB-SDDRHHMPSA-N 1 0 211.305 0.775 20 30 BCEDRO C=CCN(Cc1cnn(C)n1)[C@@H](C)COC ZINC000852356414 588679536 /nfs/dbraw/zinc/67/95/36/588679536.db2.gz DMNYEJPAARCYJL-JTQLQIEISA-N 1 0 224.308 0.838 20 30 BCEDRO C=CC[N@@H+](CCC(=O)N(C)OC)[C@@H](C)COC ZINC000852356443 588679674 /nfs/dbraw/zinc/67/96/74/588679674.db2.gz FDKXCSVRCXPLOG-NSHDSACASA-N 1 0 244.335 0.919 20 30 BCEDRO C=CC[N@@H+](CCN1CCOC1=O)[C@H](C)COC ZINC000852357838 588680037 /nfs/dbraw/zinc/68/00/37/588680037.db2.gz ITQPCROGZQWKDV-LLVKDONJSA-N 1 0 242.319 0.962 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852437681 588682168 /nfs/dbraw/zinc/68/21/68/588682168.db2.gz ZZJHNCPFNXFUDM-JTQLQIEISA-N 1 0 208.261 0.536 20 30 BCEDRO C#CCOCCN1CC2CC1(C(=O)OC)C2 ZINC000852444142 588682880 /nfs/dbraw/zinc/68/28/80/588682880.db2.gz SVERZFFZNCEJDB-UHFFFAOYSA-N 1 0 223.272 0.274 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)C[C@H]1COCCO1 ZINC000852495369 588685230 /nfs/dbraw/zinc/68/52/30/588685230.db2.gz JPNKHXZWPCBLOP-MNOVXSKESA-N 1 0 228.292 0.262 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)C[C@@H]1COCCO1 ZINC000852495367 588685457 /nfs/dbraw/zinc/68/54/57/588685457.db2.gz JPNKHXZWPCBLOP-GHMZBOCLSA-N 1 0 228.292 0.262 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)CCN(C)C(=O)OC ZINC000852571359 588691427 /nfs/dbraw/zinc/69/14/27/588691427.db2.gz XYEKXGJYCVGXBK-LLVKDONJSA-N 1 0 244.335 0.944 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000852591340 588692484 /nfs/dbraw/zinc/69/24/84/588692484.db2.gz MIEAAKIBSREFTQ-WOPDTQHZSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000852679756 588695152 /nfs/dbraw/zinc/69/51/52/588695152.db2.gz ASGYGUVRRCMNKN-LBPRGKRZSA-N 1 0 220.316 0.954 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000852714566 588697004 /nfs/dbraw/zinc/69/70/04/588697004.db2.gz VGMFMHXTNFFLIE-KOLCDFICSA-N 1 0 226.251 0.391 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000852714567 588697277 /nfs/dbraw/zinc/69/72/77/588697277.db2.gz VGMFMHXTNFFLIE-MWLCHTKSSA-N 1 0 226.251 0.391 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000852705561 588697378 /nfs/dbraw/zinc/69/73/78/588697378.db2.gz YIGUXHVEDSLASP-NEPJUHHUSA-N 1 0 211.305 0.587 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC1=CCSC1 ZINC000852747315 588699293 /nfs/dbraw/zinc/69/92/93/588699293.db2.gz DSRANAXDUCAWKF-JTQLQIEISA-N 1 0 238.356 0.729 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@@H](O)CSC ZINC000852748499 588699475 /nfs/dbraw/zinc/69/94/75/588699475.db2.gz BIVUIHVCESCTTC-LLVKDONJSA-N 1 0 231.361 0.682 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CC1=CCSC1 ZINC000852747646 588699628 /nfs/dbraw/zinc/69/96/28/588699628.db2.gz RFJKHYHLDYSBPX-UHFFFAOYSA-N 1 0 238.356 0.731 20 30 BCEDRO C#CCC[N@@H+](CCOC)CC[C@@H]1CCNC1=O ZINC000852748937 588699752 /nfs/dbraw/zinc/69/97/52/588699752.db2.gz LWOQQBIBTKPGJJ-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCOCCC#N ZINC000852755471 588700458 /nfs/dbraw/zinc/70/04/58/588700458.db2.gz PIKNWMNLXJWKPN-MNOVXSKESA-N 1 0 240.303 0.848 20 30 BCEDRO C#CCNC(=O)C[N@H+](C)C[C@H]1CC1(C)C ZINC000852774399 588701891 /nfs/dbraw/zinc/70/18/91/588701891.db2.gz URHBFUXBWCRFCZ-SNVBAGLBSA-N 1 0 208.305 0.714 20 30 BCEDRO COc1cc(C(=O)N2CC[C@@H]([NH3+])C2)ccc1C#N ZINC000852791206 588702897 /nfs/dbraw/zinc/70/28/97/588702897.db2.gz ZDFAFXHLTFFPKC-LLVKDONJSA-N 1 0 245.282 0.740 20 30 BCEDRO C[NH2+]CCCNC(=O)c1ccc(C#N)c(OC)c1 ZINC000852793055 588703004 /nfs/dbraw/zinc/70/30/04/588703004.db2.gz NYBPOMBJAWLEPN-UHFFFAOYSA-N 1 0 247.298 0.906 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)Nc1nncs1 ZINC000852798916 588704059 /nfs/dbraw/zinc/70/40/59/588704059.db2.gz CFHTZKMVFZWSIU-UHFFFAOYSA-N 1 0 236.300 0.480 20 30 BCEDRO C[C@@H]1C[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852816533 588705533 /nfs/dbraw/zinc/70/55/33/588705533.db2.gz XVHHYGFRRBLCSQ-MWLCHTKSSA-N 1 0 206.289 0.514 20 30 BCEDRO CO[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C1CCC1 ZINC000852827095 588705948 /nfs/dbraw/zinc/70/59/48/588705948.db2.gz BINACFSNFLRUOL-DCAQKATOSA-N 1 0 237.303 0.029 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(F)s1 ZINC000852827055 588706161 /nfs/dbraw/zinc/70/61/61/588706161.db2.gz AOKGZXSFKFQWDG-NKWVEPMBSA-N 1 0 239.275 0.729 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000852827582 588706263 /nfs/dbraw/zinc/70/62/63/588706263.db2.gz LKRQYRAIFAAHSE-UNQZSWDGSA-N 1 0 219.288 0.260 20 30 BCEDRO COc1cc(C(=O)N[C@@H](C)C[NH3+])ccc1C#N ZINC000852828297 588706290 /nfs/dbraw/zinc/70/62/90/588706290.db2.gz HRFJNWJANIFFAN-QMMMGPOBSA-N 1 0 233.271 0.644 20 30 BCEDRO Cc1ccncc1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852828248 588706381 /nfs/dbraw/zinc/70/63/81/588706381.db2.gz WIBOBFDXGGQSMD-NWDGAFQWSA-N 1 0 244.298 0.160 20 30 BCEDRO COc1cc(C(=O)N(C)CC[NH3+])ccc1C#N ZINC000852834291 588706766 /nfs/dbraw/zinc/70/67/66/588706766.db2.gz LUQZMQGWFFYHRZ-UHFFFAOYSA-N 1 0 233.271 0.598 20 30 BCEDRO C=CC[C@]1(C(=O)NCCn2cncn2)CCC[NH2+]1 ZINC000852835068 588706885 /nfs/dbraw/zinc/70/68/85/588706885.db2.gz BSVYQAYMPPMZMO-GFCCVEGCSA-N 1 0 249.318 0.093 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H]1CCSC1 ZINC000852841565 588707322 /nfs/dbraw/zinc/70/73/22/588707322.db2.gz MICMFQASOLKNTL-NSHDSACASA-N 1 0 238.356 0.611 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000852841798 588707427 /nfs/dbraw/zinc/70/74/27/588707427.db2.gz QEIRWQQTMMXNJK-JGVFFNPUSA-N 1 0 218.684 0.219 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852843278 588707605 /nfs/dbraw/zinc/70/76/05/588707605.db2.gz UVCOXHBQCRWFJD-SFYZADRCSA-N 1 0 211.265 0.171 20 30 BCEDRO CO[C@@H](C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852883433 588711292 /nfs/dbraw/zinc/71/12/92/588711292.db2.gz DSVLMOITGBUMFT-JTQLQIEISA-N 1 0 224.304 0.141 20 30 BCEDRO C[C@@H](NC(=O)C#CC1CC[NH2+]CC1)c1cn[nH]c1 ZINC000852888926 588711600 /nfs/dbraw/zinc/71/16/00/588711600.db2.gz OHUAIABRSCGAOG-SNVBAGLBSA-N 1 0 246.314 0.590 20 30 BCEDRO CCn1ccc(NC(=O)C#CC2CC[NH2+]CC2)n1 ZINC000852904322 588712690 /nfs/dbraw/zinc/71/26/90/588712690.db2.gz PZZUKIHYMKBUJE-UHFFFAOYSA-N 1 0 246.314 0.845 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852916324 588713051 /nfs/dbraw/zinc/71/30/51/588713051.db2.gz DSVBXAVASAPZJE-AWEZNQCLSA-N 1 0 245.326 0.752 20 30 BCEDRO C=CCCC(C)(C)NC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852920037 588713327 /nfs/dbraw/zinc/71/33/27/588713327.db2.gz JGIOVTRUCWMNEI-VIFPVBQESA-N 1 0 239.319 0.951 20 30 BCEDRO C#C[C@H](NC(=O)N(CC)CC[NH3+])[C@H]1CCCO1 ZINC000861619382 589170553 /nfs/dbraw/zinc/17/05/53/589170553.db2.gz ZFBKCTSJKYHSBU-WDEREUQCSA-N 1 0 239.319 0.157 20 30 BCEDRO C#CCCCNC(=O)NCCOCCC[NH3+] ZINC000861624781 589170855 /nfs/dbraw/zinc/17/08/55/589170855.db2.gz ZVZTYCMEOUMPJA-UHFFFAOYSA-N 1 0 227.308 0.064 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)NCC1(CC#N)CC1 ZINC000861629538 589170873 /nfs/dbraw/zinc/17/08/73/589170873.db2.gz TUNCGMXYPZJXQN-SECBINFHSA-N 1 0 224.308 0.669 20 30 BCEDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)NCCC#N ZINC000861628320 589171062 /nfs/dbraw/zinc/17/10/62/589171062.db2.gz OGVANIJYHZTAQI-JTQLQIEISA-N 1 0 224.308 0.539 20 30 BCEDRO C#C[C@H](NC(=O)NCCOCCC[NH3+])C(C)C ZINC000861633412 589171261 /nfs/dbraw/zinc/17/12/61/589171261.db2.gz OCDYZBVUBGYJLM-NSHDSACASA-N 1 0 241.335 0.309 20 30 BCEDRO C=CCONC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000861636125 589171864 /nfs/dbraw/zinc/17/18/64/589171864.db2.gz FMEWXCSEFNXALX-TXEJJXNPSA-N 1 0 239.319 0.745 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)N[C@@H](C)C[NH3+])C1 ZINC000861643009 589172568 /nfs/dbraw/zinc/17/25/68/589172568.db2.gz MQOBYZCLCRYTHJ-UWVGGRQHSA-N 1 0 211.309 0.941 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCCOCC[NH2+]C ZINC000861676037 589174158 /nfs/dbraw/zinc/17/41/58/589174158.db2.gz NJQCDSJLWNCRDR-LLVKDONJSA-N 1 0 241.335 0.324 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861686258 589174620 /nfs/dbraw/zinc/17/46/20/589174620.db2.gz XDIJTTBEFJEQHD-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000861691569 589174834 /nfs/dbraw/zinc/17/48/34/589174834.db2.gz WTELXJVATYUIBV-QWRGUYRKSA-N 1 0 235.331 0.934 20 30 BCEDRO CCCCCCCNC(=O)C(=O)NCC[NH2+]C ZINC000861775194 589177792 /nfs/dbraw/zinc/17/77/92/589177792.db2.gz FJFBHALUUNMKQL-UHFFFAOYSA-N 1 0 243.351 0.409 20 30 BCEDRO CCCCCCCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000861775991 589177796 /nfs/dbraw/zinc/17/77/96/589177796.db2.gz MNLZKOQXOHRRMG-JTQLQIEISA-N 1 0 243.351 0.536 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000862445194 589214658 /nfs/dbraw/zinc/21/46/58/589214658.db2.gz NYARVEICLWNWDF-JTQLQIEISA-N 1 0 204.277 0.660 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NN1CCC[C@H]1COC ZINC000862593986 589227195 /nfs/dbraw/zinc/22/71/95/589227195.db2.gz SEHQKUUACOKBFQ-NSHDSACASA-N 1 0 241.335 0.246 20 30 BCEDRO C[C@@H]1CC(=NNCC(C)(C)O)CN1C1CC1 ZINC000863137609 589262188 /nfs/dbraw/zinc/26/21/88/589262188.db2.gz FEFOWMHDYXCKEM-SECBINFHSA-N 1 0 225.336 0.960 20 30 BCEDRO CC(C)(O)CNN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000863138761 589262565 /nfs/dbraw/zinc/26/25/65/589262565.db2.gz SXDUTIJKNPUNMW-JTQLQIEISA-N 1 0 211.309 0.571 20 30 BCEDRO O=c1ccn(N=C2CC[N@@H+]3CCC[C@H]23)c(=O)[nH]1 ZINC000863184833 589269467 /nfs/dbraw/zinc/26/94/67/589269467.db2.gz LJIQBMPPBBGXQY-SECBINFHSA-N 1 0 234.259 0.021 20 30 BCEDRO COCC(COC)NN=C1CC[N@@H+]2CCC[C@H]12 ZINC000863195430 589270608 /nfs/dbraw/zinc/27/06/08/589270608.db2.gz ZACCEPRUIUQMOX-GFCCVEGCSA-N 1 0 241.335 0.462 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@H]1CCCOC1 ZINC000863561518 589299175 /nfs/dbraw/zinc/29/91/75/589299175.db2.gz CZDFKNZSLMDRBY-GFCCVEGCSA-N 1 0 238.331 0.532 20 30 BCEDRO C=CCCn1cc(CN(C)C[C@@H](C)[NH3+])nn1 ZINC000863567758 589299868 /nfs/dbraw/zinc/29/98/68/589299868.db2.gz GQBPAHTUKBTTFS-SNVBAGLBSA-N 1 0 223.324 0.633 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000863589289 589302486 /nfs/dbraw/zinc/30/24/86/589302486.db2.gz LYFXTHCMJBNDAC-GHMZBOCLSA-N 1 0 247.360 0.438 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000863588736 589302493 /nfs/dbraw/zinc/30/24/93/589302493.db2.gz FDLKONWNVKQCIN-NXEZZACHSA-N 1 0 233.333 0.047 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)CCOC(C)C ZINC000863589899 589302564 /nfs/dbraw/zinc/30/25/64/589302564.db2.gz ZGJZGGLESDGNCY-CHWSQXEVSA-N 1 0 243.347 0.790 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](O)COC ZINC000863589405 589302577 /nfs/dbraw/zinc/30/25/77/589302577.db2.gz ODDSLLQERKYWBX-GHMZBOCLSA-N 1 0 215.293 0.012 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)CCOCC ZINC000863589353 589302658 /nfs/dbraw/zinc/30/26/58/589302658.db2.gz NCACHTAASBIKSF-NWDGAFQWSA-N 1 0 229.320 0.402 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)c1ccccn1 ZINC000863589087 589302766 /nfs/dbraw/zinc/30/27/66/589302766.db2.gz JMPZDBMYYMXWFD-WCQYABFASA-N 1 0 234.299 0.743 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000863781265 589317311 /nfs/dbraw/zinc/31/73/11/589317311.db2.gz KCGPFNCUXVWAHA-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000863786524 589318293 /nfs/dbraw/zinc/31/82/93/589318293.db2.gz CBOPKIJCXMAKEJ-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)[C@@H](CC)[NH+](C)C ZINC000863800328 589318430 /nfs/dbraw/zinc/31/84/30/589318430.db2.gz CKALOWGMRASUMP-WDEREUQCSA-N 1 0 226.320 0.481 20 30 BCEDRO C#CC[C@H](COC)NC(=O)CCCC[NH+](C)C ZINC000863799118 589318615 /nfs/dbraw/zinc/31/86/15/589318615.db2.gz GCBCITZHKBLFFB-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000863804429 589320112 /nfs/dbraw/zinc/32/01/12/589320112.db2.gz FSABDBNBCBCKGO-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000863807183 589320600 /nfs/dbraw/zinc/32/06/00/589320600.db2.gz ZRUJEXJIGUBBGS-GRYCIOLGSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCCN1CC[NH+]([C@H](C)COC)CC1 ZINC000119669297 589323157 /nfs/dbraw/zinc/32/31/57/589323157.db2.gz VOQFNIPHNQKZIT-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C#Cc1cncc(C(=O)NCC2([NH2+]C)CCC2)c1 ZINC000863922510 589327037 /nfs/dbraw/zinc/32/70/37/589327037.db2.gz UNOAUVUIISVBNS-UHFFFAOYSA-N 1 0 243.310 0.935 20 30 BCEDRO CNC(NCCCOC[C@@H]1CCOC1)=[NH+]C ZINC000119932341 589348603 /nfs/dbraw/zinc/34/86/03/589348603.db2.gz MMAVEWDPXQIRAC-JTQLQIEISA-N 1 0 229.324 0.224 20 30 BCEDRO CCNC(NCc1cnnn1CC)=[NH+]CC ZINC000864354897 589355196 /nfs/dbraw/zinc/35/51/96/589355196.db2.gz ALJVOYIDFCKTIK-UHFFFAOYSA-N 1 0 224.312 0.373 20 30 BCEDRO CNC(NCc1cc(C)c(C(=O)OC)o1)=[NH+]C ZINC000864357991 589355575 /nfs/dbraw/zinc/35/55/75/589355575.db2.gz CNKHVESSPPYJSY-UHFFFAOYSA-N 1 0 239.275 0.669 20 30 BCEDRO CNC(NC[C@H]1CCC12CCOCC2)=[NH+]C ZINC000864358268 589355645 /nfs/dbraw/zinc/35/56/45/589355645.db2.gz RAEOHHNWPKPAAT-SNVBAGLBSA-N 1 0 225.336 0.988 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864462810 589369623 /nfs/dbraw/zinc/36/96/23/589369623.db2.gz PJHFNTWCSDKFHK-JTQLQIEISA-N 1 0 238.335 0.545 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864463306 589369947 /nfs/dbraw/zinc/36/99/47/589369947.db2.gz VDQAHJUIBDBJSK-KXUCPTDWSA-N 1 0 211.309 0.693 20 30 BCEDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000864464248 589370535 /nfs/dbraw/zinc/37/05/35/589370535.db2.gz UJGSSENMVHAWIP-KWQFWETISA-N 1 0 229.287 0.976 20 30 BCEDRO C[C@@H](C#N)NC(=O)[C@H]1CCCN(CC(F)F)C1 ZINC000865028305 589405592 /nfs/dbraw/zinc/40/55/92/589405592.db2.gz GCCGPDVBZAPWCL-IUCAKERBSA-N 1 0 245.273 0.992 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)c2coc(C#N)c2)C1 ZINC000865183195 589413381 /nfs/dbraw/zinc/41/33/81/589413381.db2.gz AXUJTDGBQHHCPB-SNVBAGLBSA-N 1 0 233.271 0.975 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3cncc(C#N)n3)CC[C@H]21 ZINC000866205771 589480220 /nfs/dbraw/zinc/48/02/20/589480220.db2.gz AGYHOBWLSBGVEN-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3ncncc3C#N)CC[C@@H]21 ZINC000866205720 589480241 /nfs/dbraw/zinc/48/02/41/589480241.db2.gz AAUPLHQUVCTLQH-PWSUYJOCSA-N 1 0 243.314 0.879 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)[C@]1(C#N)CCCOC1 ZINC000866310735 589485832 /nfs/dbraw/zinc/48/58/32/589485832.db2.gz OWXHDHOFHCJJJJ-LBPRGKRZSA-N 1 0 239.319 0.327 20 30 BCEDRO C#CCOCCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000121099814 589498314 /nfs/dbraw/zinc/49/83/14/589498314.db2.gz SDGUEGHHUBXGQI-GFCCVEGCSA-N 1 0 238.331 0.483 20 30 BCEDRO CN(CC[NH3+])CCc1cccc(C#N)c1 ZINC000866698115 589512959 /nfs/dbraw/zinc/51/29/59/589512959.db2.gz NIJYBIIVBICFNL-UHFFFAOYSA-N 1 0 203.289 0.991 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000867840331 589536910 /nfs/dbraw/zinc/53/69/10/589536910.db2.gz PUNBRUZJVMNRBD-LLVKDONJSA-N 1 0 248.330 0.538 20 30 BCEDRO CN(CCC[NH3+])C(=O)c1coc(C#N)c1 ZINC000867961114 589541248 /nfs/dbraw/zinc/54/12/48/589541248.db2.gz UBIFACIOOVUCFO-UHFFFAOYSA-N 1 0 207.233 0.572 20 30 BCEDRO N#Cc1cc(C(=O)N[C@@H]2CC[NH2+]C2)co1 ZINC000867965942 589541607 /nfs/dbraw/zinc/54/16/07/589541607.db2.gz JNYSXVVJPAJVAJ-MRVPVSSYSA-N 1 0 205.217 0.243 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H]1C[C@H]1[NH3+])C2 ZINC000868038622 589545789 /nfs/dbraw/zinc/54/57/89/589545789.db2.gz XOOUYGWLHYLUIZ-FRRDWIJNSA-N 1 0 241.294 0.489 20 30 BCEDRO C[NH2+]CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868038128 589546035 /nfs/dbraw/zinc/54/60/35/589546035.db2.gz MDUIQFBJVIVHNZ-GFCCVEGCSA-N 1 0 229.283 0.361 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000868513315 589561947 /nfs/dbraw/zinc/56/19/47/589561947.db2.gz DFPHLPABOWDAES-VXGBXAGGSA-N 1 0 237.347 0.990 20 30 BCEDRO C=C[C@@H](OC(=O)[C@H](C(C)C)[NH+](C)C)C(=O)OC ZINC000870532538 589671986 /nfs/dbraw/zinc/67/19/86/589671986.db2.gz WTGUTMRBNMDZON-ZJUUUORDSA-N 1 0 243.303 0.843 20 30 BCEDRO C[C@H]1CN(C(=O)c2coc(C#N)c2)[C@@H](C)C[NH2+]1 ZINC000870913445 589696736 /nfs/dbraw/zinc/69/67/36/589696736.db2.gz VACXPDJVPAAYDC-IUCAKERBSA-N 1 0 233.271 0.974 20 30 BCEDRO C[C@@H]1CN(C(=O)c2coc(C#N)c2)[C@@H](C)C[NH2+]1 ZINC000870913438 589696880 /nfs/dbraw/zinc/69/68/80/589696880.db2.gz VACXPDJVPAAYDC-BDAKNGLRSA-N 1 0 233.271 0.974 20 30 BCEDRO N#Cc1cc(C(=O)N[C@H]2CCC[NH2+]C2)co1 ZINC000870933084 589698233 /nfs/dbraw/zinc/69/82/33/589698233.db2.gz PHIFFPRXUSYJEH-VIFPVBQESA-N 1 0 219.244 0.633 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)c1sccc1CC#N ZINC000870941379 589699549 /nfs/dbraw/zinc/69/95/49/589699549.db2.gz WUVYAOOLFLKHRY-ZETCQYMHSA-N 1 0 223.301 0.891 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870971087 589703140 /nfs/dbraw/zinc/70/31/40/589703140.db2.gz BQTHXARCMSZWPG-XYPYZODXSA-N 1 0 226.320 0.823 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)CCC[NH3+])C2 ZINC000871012347 589711325 /nfs/dbraw/zinc/71/13/25/589711325.db2.gz QBKCQRDFSYOTMJ-ZDUSSCGKSA-N 1 0 243.310 0.881 20 30 BCEDRO CC[C@H](C#N)NC(=O)C1([NH+](C)C)CCC1 ZINC000123651984 589761307 /nfs/dbraw/zinc/76/13/07/589761307.db2.gz JZUNNFGBEDXMFW-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO C#CCNC(=O)N1C[C@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871600140 589772555 /nfs/dbraw/zinc/77/25/55/589772555.db2.gz JNVZXUMPLUXGRB-JGVFFNPUSA-N 1 0 249.236 0.398 20 30 BCEDRO C#C[C@H](NC(=[NH2+])N(C)CCOC)C(C)C ZINC000871605216 589774691 /nfs/dbraw/zinc/77/46/91/589774691.db2.gz CNAQTFFHKIUERS-JTQLQIEISA-N 1 0 211.309 0.747 20 30 BCEDRO C#CCNC(=O)NCCN1CCOC[C@@H]1CC ZINC000871629681 589779118 /nfs/dbraw/zinc/77/91/18/589779118.db2.gz SGCAXUPVEIECNK-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO C#CCNC(=O)CON=C(N)C1CCC1 ZINC000871764706 589809469 /nfs/dbraw/zinc/80/94/69/589809469.db2.gz MXHMSMKFYHKAPE-UHFFFAOYSA-N 1 0 209.249 0.034 20 30 BCEDRO C#CCNC(=O)[C@@H](C)ON=C(N)C1CCC1 ZINC000871764173 589809840 /nfs/dbraw/zinc/80/98/40/589809840.db2.gz GAIDMZQMWDDBHP-MRVPVSSYSA-N 1 0 223.276 0.423 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)CC1(O)CCOCC1 ZINC000871974651 589851046 /nfs/dbraw/zinc/85/10/46/589851046.db2.gz NQSDBNGSQQSYPN-GFCCVEGCSA-N 1 0 241.331 0.234 20 30 BCEDRO CC(C)(O)C[C@H](O)C[NH+]1CC(CC#N)C1 ZINC000871983237 589852954 /nfs/dbraw/zinc/85/29/54/589852954.db2.gz XZTQWRVPKRYPJL-JTQLQIEISA-N 1 0 212.293 0.354 20 30 BCEDRO N#Cc1ccc(N2CCN(CC[NH3+])CC2)cn1 ZINC000872146707 589885295 /nfs/dbraw/zinc/88/52/95/589885295.db2.gz VQSTVQIIEMSFEE-UHFFFAOYSA-N 1 0 231.303 0.034 20 30 BCEDRO C[C@H](C#N)C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872200493 589890350 /nfs/dbraw/zinc/89/03/50/589890350.db2.gz IQXLBKNSLDTGRG-RKDXNWHRSA-N 1 0 200.282 0.258 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000872205512 589892070 /nfs/dbraw/zinc/89/20/70/589892070.db2.gz BARBETFGIUKTRO-CHWSQXEVSA-N 1 0 241.331 0.138 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)COC(C)C)[C@H]1CCCO1 ZINC000872205943 589892162 /nfs/dbraw/zinc/89/21/62/589892162.db2.gz MKOPZQSXJQNHJX-YNEHKIRRSA-N 1 0 241.331 0.543 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)COC(C)C)[C@@H]1CCCO1 ZINC000872205941 589892372 /nfs/dbraw/zinc/89/23/72/589892372.db2.gz MKOPZQSXJQNHJX-UPJWGTAASA-N 1 0 241.331 0.543 20 30 BCEDRO CC(C)(O)C[C@@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000872209943 589894280 /nfs/dbraw/zinc/89/42/80/589894280.db2.gz BSGCZHPVQIOPES-SNVBAGLBSA-N 1 0 226.320 0.792 20 30 BCEDRO COC(=O)C1CC([NH2+]C[C@H](C#N)CCC#N)C1 ZINC000872227620 589897912 /nfs/dbraw/zinc/89/79/12/589897912.db2.gz OQNBFBGBBCQZDY-WHXUTIOJSA-N 1 0 235.287 0.971 20 30 BCEDRO COC[C@@H](O)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000872239083 589898917 /nfs/dbraw/zinc/89/89/17/589898917.db2.gz NLKMABRVLFCYGB-KGLIPLIRSA-N 1 0 246.310 0.622 20 30 BCEDRO C#C[C@H]1CC[C@H]([NH2+]CCS(C)(=O)=O)CC1 ZINC000872250565 589900785 /nfs/dbraw/zinc/90/07/85/589900785.db2.gz JTEMNJYBAYXSLH-XYPYZODXSA-N 1 0 229.345 0.813 20 30 BCEDRO CC#CC[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872285207 589906008 /nfs/dbraw/zinc/90/60/08/589906008.db2.gz YYTLOKRNRDHQNM-UHFFFAOYSA-N 1 0 236.315 0.381 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@]12CCC[C@H]1OCC2 ZINC000872288014 589906455 /nfs/dbraw/zinc/90/64/55/589906455.db2.gz RVCSKMPSOILKGM-XZUYRWCXSA-N 1 0 249.314 0.173 20 30 BCEDRO C#CCOCC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316840 589910435 /nfs/dbraw/zinc/91/04/35/589910435.db2.gz XQOQIJZSMSXZBS-NEPJUHHUSA-N 1 0 209.289 0.937 20 30 BCEDRO Cn1ccnc(N=NCC2CC[NH+](C)CC2)c1=O ZINC000872355297 589916976 /nfs/dbraw/zinc/91/69/76/589916976.db2.gz RTYSMHBZCKAONV-UHFFFAOYSA-N 1 0 249.318 0.520 20 30 BCEDRO C[C@@H]1C(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CCN1C ZINC000872359768 589918832 /nfs/dbraw/zinc/91/88/32/589918832.db2.gz ORSTZSFWUNPRIT-JLLWLGSASA-N 1 0 249.362 0.926 20 30 BCEDRO C[C@H]1C(N=Nc2ccncc2)CC[N@@H+]1C ZINC000872363959 589920725 /nfs/dbraw/zinc/92/07/25/589920725.db2.gz YATAUPOREGOADT-VIFPVBQESA-N 1 0 204.277 0.995 20 30 BCEDRO C[C@H]1C(N=Nc2nccn2C)CC[N@@H+]1C ZINC000872370060 589923204 /nfs/dbraw/zinc/92/32/04/589923204.db2.gz SCGHYAJMBIAGSJ-QMMMGPOBSA-N 1 0 207.281 0.912 20 30 BCEDRO CCOC(=O)c1ccc(C=NNC2=[NH+]CCN2)[nH]1 ZINC000872385978 589930001 /nfs/dbraw/zinc/93/00/01/589930001.db2.gz WISFWXWUZUPMCR-UHFFFAOYSA-N 1 0 249.274 0.074 20 30 BCEDRO COc1nscc1C=NNC1=[NH+]CCN1 ZINC000872386009 589930008 /nfs/dbraw/zinc/93/00/08/589930008.db2.gz XJZXIWILOWKDQX-UHFFFAOYSA-N 1 0 225.277 0.034 20 30 BCEDRO C#CCSCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000873057897 589981225 /nfs/dbraw/zinc/98/12/25/589981225.db2.gz FYHFCRBKEDWZON-JTQLQIEISA-N 1 0 226.345 0.611 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@H](C)CCSC ZINC000124821442 590091297 /nfs/dbraw/zinc/09/12/97/590091297.db2.gz DOKVVDDSZAMBGC-SNVBAGLBSA-N 1 0 228.361 0.809 20 30 BCEDRO CC[C@](C)(C#N)NC(=O)C[NH+]1CCCC1 ZINC000874261595 590100212 /nfs/dbraw/zinc/10/02/12/590100212.db2.gz VCWKDVSRYOMHOK-LLVKDONJSA-N 1 0 209.293 0.891 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874825049 590142500 /nfs/dbraw/zinc/14/25/00/590142500.db2.gz IILNTUGQDJHDOR-DCAQKATOSA-N 1 0 224.304 0.228 20 30 BCEDRO C[NH2+][C@@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC000876504080 590204139 /nfs/dbraw/zinc/20/41/39/590204139.db2.gz IZIPPXVHXUCESU-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO O=C(C#CC1CC1)NCC1CC[NH2+]CC1 ZINC000876507471 590204720 /nfs/dbraw/zinc/20/47/20/590204720.db2.gz GLECUBNCYFIVOE-UHFFFAOYSA-N 1 0 206.289 0.516 20 30 BCEDRO [NH3+]C1CCC(NC(=O)C#CC2CC2)CC1 ZINC000876516311 590206707 /nfs/dbraw/zinc/20/67/07/590206707.db2.gz PCLNSEVNWUGFAG-UHFFFAOYSA-N 1 0 206.289 0.786 20 30 BCEDRO C[NH2+][C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000876517957 590206967 /nfs/dbraw/zinc/20/69/67/590206967.db2.gz HUFNOBYLCCKXBW-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO CN(C(=O)C#CC(C)(C)C)[C@H]1CC[NH2+]C1 ZINC000876527523 590209266 /nfs/dbraw/zinc/20/92/66/590209266.db2.gz ADSLJMIXXLZYHA-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C[NH2+]C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000876540875 590212132 /nfs/dbraw/zinc/21/21/32/590212132.db2.gz PEKGIPXRUWOUEA-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000876544976 590213060 /nfs/dbraw/zinc/21/30/60/590213060.db2.gz DEDVFGQLZCRRDC-DTWKUNHWSA-N 1 0 232.711 0.752 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)NC(C)C ZINC000876563343 590216595 /nfs/dbraw/zinc/21/65/95/590216595.db2.gz DMXYVFRCEHNOMX-MRVPVSSYSA-N 1 0 247.726 0.097 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCOC ZINC000876577702 590218135 /nfs/dbraw/zinc/21/81/35/590218135.db2.gz KBJUUBNRTDLSMY-QMMMGPOBSA-N 1 0 220.700 0.561 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCOC ZINC000876591320 590219457 /nfs/dbraw/zinc/21/94/57/590219457.db2.gz GRKOXIVIXCRXBH-SECBINFHSA-N 1 0 234.727 0.999 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)OC ZINC000876599291 590220134 /nfs/dbraw/zinc/22/01/34/590220134.db2.gz ZINQXDMGBIVVDC-RNFRBKRXSA-N 1 0 234.683 0.134 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)OC ZINC000876599289 590220141 /nfs/dbraw/zinc/22/01/41/590220141.db2.gz ZINQXDMGBIVVDC-NKWVEPMBSA-N 1 0 234.683 0.134 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)C(N)=O ZINC000876604477 590221134 /nfs/dbraw/zinc/22/11/34/590221134.db2.gz KDWPXTRGGULLEK-ZETCQYMHSA-N 1 0 247.726 0.084 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C(N)=O)C(C)C ZINC000876651599 590226212 /nfs/dbraw/zinc/22/62/12/590226212.db2.gz AMXLWONYWPDUEX-HTQZYQBOSA-N 1 0 247.726 0.082 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876668909 590227464 /nfs/dbraw/zinc/22/74/64/590227464.db2.gz VFVFAXWXWANAEW-YUMQZZPRSA-N 1 0 220.675 0.803 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[C@H](C)O ZINC000876669105 590228329 /nfs/dbraw/zinc/22/83/29/590228329.db2.gz AONYNKIPFSPPHT-DTWKUNHWSA-N 1 0 234.727 0.686 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1noc(C)n1 ZINC000876668616 590228377 /nfs/dbraw/zinc/22/83/77/590228377.db2.gz ZCCIPAMTMVZMJA-ZETCQYMHSA-N 1 0 244.682 0.464 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@@H]1CCOC1 ZINC000876696841 590231678 /nfs/dbraw/zinc/23/16/78/590231678.db2.gz ZIIDNVIPQSGBOR-UWVGGRQHSA-N 1 0 246.738 0.951 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000876788631 590240960 /nfs/dbraw/zinc/24/09/60/590240960.db2.gz PVJMMZJRDUFFJB-AEJSXWLSSA-N 1 0 245.754 0.652 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC[NH2+]CCC ZINC000876789510 590241358 /nfs/dbraw/zinc/24/13/58/590241358.db2.gz CMKNLEXHVJCOLS-VIFPVBQESA-N 1 0 233.743 0.572 20 30 BCEDRO CCC(C#N)(CC)C(=O)N(C)CC[NH2+]C ZINC000876791041 590241598 /nfs/dbraw/zinc/24/15/98/590241598.db2.gz DANQWJOJVVOFBH-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000876791640 590242206 /nfs/dbraw/zinc/24/22/06/590242206.db2.gz OCROUKQPCMLFLN-SNVBAGLBSA-N 1 0 208.305 0.889 20 30 BCEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801762 590243125 /nfs/dbraw/zinc/24/31/25/590243125.db2.gz ILNMVORKBXZSIE-HRRXFJGFSA-N 1 0 233.315 0.506 20 30 BCEDRO CCO[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C1CC1 ZINC000876801817 590243327 /nfs/dbraw/zinc/24/33/27/590243327.db2.gz JHUVUOAZBSUYIX-DCAQKATOSA-N 1 0 237.303 0.029 20 30 BCEDRO Cc1cocc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801261 590243461 /nfs/dbraw/zinc/24/34/61/590243461.db2.gz AELPVKAKRINYJP-PSASIEDQSA-N 1 0 219.244 0.429 20 30 BCEDRO CNc1cccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000876803020 590243649 /nfs/dbraw/zinc/24/36/49/590243649.db2.gz UEKMTBFPVQVYJQ-PWSUYJOCSA-N 1 0 244.298 0.570 20 30 BCEDRO CCC(C)(C)[C@H](O)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876803219 590243672 /nfs/dbraw/zinc/24/36/72/590243672.db2.gz VMYQDMBQHCQQQZ-KXUCPTDWSA-N 1 0 239.319 0.011 20 30 BCEDRO CC(C)n1cnc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000876803933 590243777 /nfs/dbraw/zinc/24/37/77/590243777.db2.gz ZSBBGFXGPKSKSW-NXEZZACHSA-N 1 0 247.302 0.305 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@]1(C)CCOC1 ZINC000876806241 590244366 /nfs/dbraw/zinc/24/43/66/590244366.db2.gz LVGMHJWUPJBQGD-PSASIEDQSA-N 1 0 232.711 0.752 20 30 BCEDRO C[C@@H]1C[C@@H](NC(=O)C#CC2CC2)CC[NH2+]1 ZINC000876835651 590247867 /nfs/dbraw/zinc/24/78/67/590247867.db2.gz ZFTQMQCYHFZEGP-KOLCDFICSA-N 1 0 206.289 0.657 20 30 BCEDRO C[C@@H]1CC[NH2+][C@H](C)[C@H]1NC(=O)C#CC1CC1 ZINC000876847203 590248964 /nfs/dbraw/zinc/24/89/64/590248964.db2.gz ARPLDUGWYHYMGH-BREBYQMCSA-N 1 0 220.316 0.903 20 30 BCEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C#CC(C)(C)C ZINC000876852129 590249265 /nfs/dbraw/zinc/24/92/65/590249265.db2.gz SCLXRPOIPYWYIY-UWVGGRQHSA-N 1 0 208.305 0.984 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)OC ZINC000876882359 590253112 /nfs/dbraw/zinc/25/31/12/590253112.db2.gz GZTMRPATRMUJPO-HTQZYQBOSA-N 1 0 220.700 0.607 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCOC1 ZINC000876885099 590253699 /nfs/dbraw/zinc/25/36/99/590253699.db2.gz VFUHCVMOTGEZSU-JGVFFNPUSA-N 1 0 218.684 0.361 20 30 BCEDRO C#CCNC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000876943926 590259393 /nfs/dbraw/zinc/25/93/93/590259393.db2.gz WMWYPVOYUBLRRD-GFCCVEGCSA-N 1 0 232.283 0.314 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(COC)CC1 ZINC000876952613 590260189 /nfs/dbraw/zinc/26/01/89/590260189.db2.gz VCJCMIGRDQQUGS-SECBINFHSA-N 1 0 246.738 0.999 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@@H]2COCCO2)n1 ZINC000876951232 590260271 /nfs/dbraw/zinc/26/02/71/590260271.db2.gz HQECQTZVDPKNRI-GFCCVEGCSA-N 1 0 233.271 0.458 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000876974684 590263438 /nfs/dbraw/zinc/26/34/38/590263438.db2.gz PJUGDTZLTRKRMO-VHSXEESVSA-N 1 0 226.320 0.679 20 30 BCEDRO C=CCOCCNC(=O)/C=C\[C@H]1CCC[NH2+]C1 ZINC000876974997 590263730 /nfs/dbraw/zinc/26/37/30/590263730.db2.gz ZRNYIOZSCPXSSM-FOQNGQEVSA-N 1 0 238.331 0.861 20 30 BCEDRO N#CC1CCC([NH2+]CCn2cncn2)CC1 ZINC000876977696 590263965 /nfs/dbraw/zinc/26/39/65/590263965.db2.gz BCTMSQHBKPYXLX-UHFFFAOYSA-N 1 0 219.292 0.950 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)c1coc(C#N)c1 ZINC000876978191 590264071 /nfs/dbraw/zinc/26/40/71/590264071.db2.gz KUTHHTBAXMXQAL-ZETCQYMHSA-N 1 0 207.233 0.489 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCOCCF ZINC000876979420 590264252 /nfs/dbraw/zinc/26/42/52/590264252.db2.gz FKBICARGOVNLFE-MRVPVSSYSA-N 1 0 238.690 0.559 20 30 BCEDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)C#CC1CC1 ZINC000876998572 590267584 /nfs/dbraw/zinc/26/75/84/590267584.db2.gz OQUIRLLXRYSMSB-GFCCVEGCSA-N 1 0 220.316 0.856 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H](CO)C2CC2)n1 ZINC000877044765 590274048 /nfs/dbraw/zinc/27/40/48/590274048.db2.gz GYEIFGKCFHXIAJ-GFCCVEGCSA-N 1 0 217.272 0.814 20 30 BCEDRO COc1cc(C(=O)N(C)C[C@H](C)[NH3+])ccc1C#N ZINC000877104995 590284432 /nfs/dbraw/zinc/28/44/32/590284432.db2.gz GWXZLWJTDBAYMZ-VIFPVBQESA-N 1 0 247.298 0.986 20 30 BCEDRO CC(C)(F)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000877123897 590289566 /nfs/dbraw/zinc/28/95/66/590289566.db2.gz DTHIGDGAVRHIRJ-UHFFFAOYSA-N 1 0 226.295 0.854 20 30 BCEDRO Cc1c[nH]c(NC(=O)C#CC2CC[NH2+]CC2)n1 ZINC000877145062 590291832 /nfs/dbraw/zinc/29/18/32/590291832.db2.gz CPHPZIXOPUUNFE-UHFFFAOYSA-N 1 0 232.287 0.660 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877145556 590292215 /nfs/dbraw/zinc/29/22/15/590292215.db2.gz KTTYGQMPHIPWOY-WCBMZHEXSA-N 1 0 213.256 0.449 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)C#CC(C)(C)C ZINC000877171344 590295680 /nfs/dbraw/zinc/29/56/80/590295680.db2.gz FCYSAPLTYQIHIN-UWVGGRQHSA-N 1 0 208.305 0.984 20 30 BCEDRO C[C@H](NC(=O)C#CC1CC1)C1CC[NH2+]CC1 ZINC000877253947 590304347 /nfs/dbraw/zinc/30/43/47/590304347.db2.gz LEBSXYZPWOZFKQ-JTQLQIEISA-N 1 0 220.316 0.904 20 30 BCEDRO COc1ccc(NC(=O)COCC[NH3+])cc1C#N ZINC000877270510 590304945 /nfs/dbraw/zinc/30/49/45/590304945.db2.gz IIOWTZPUAZPVOZ-UHFFFAOYSA-N 1 0 249.270 0.481 20 30 BCEDRO C[NH2+]CC(=O)Nc1ccc(OC)c(C#N)c1 ZINC000877269947 590305093 /nfs/dbraw/zinc/30/50/93/590305093.db2.gz DXGRCGMEWSHPNS-UHFFFAOYSA-N 1 0 219.244 0.725 20 30 BCEDRO C=CCCOCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391159 590322396 /nfs/dbraw/zinc/32/23/96/590322396.db2.gz HRJWJIZVSKISMK-WCQYABFASA-N 1 0 238.331 0.980 20 30 BCEDRO CO[C@H](C[NH2+]CCC#N)C1CCOCC1 ZINC000877484231 590337679 /nfs/dbraw/zinc/33/76/79/590337679.db2.gz YQXKUAUQXIAYQB-LLVKDONJSA-N 1 0 212.293 0.931 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCNC(=O)CC1)C(C)C ZINC000877513756 590342680 /nfs/dbraw/zinc/34/26/80/590342680.db2.gz YXWUETLNNUEPOU-MNOVXSKESA-N 1 0 208.305 0.903 20 30 BCEDRO C#C[C@@H](C)[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000877514235 590344384 /nfs/dbraw/zinc/34/43/84/590344384.db2.gz KTFSDFHBLSKBLQ-LLVKDONJSA-N 1 0 224.348 0.833 20 30 BCEDRO Cn1ncc(C[NH2+]C2CCC(C#N)CC2)n1 ZINC000877524312 590346892 /nfs/dbraw/zinc/34/68/92/590346892.db2.gz UUVRPOYWHVQOJD-UHFFFAOYSA-N 1 0 219.292 0.987 20 30 BCEDRO C#CC[C@H](N[C@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC ZINC000877583785 590367112 /nfs/dbraw/zinc/36/71/12/590367112.db2.gz UITXTRCHBKTRPL-WOPDTQHZSA-N 1 0 238.331 0.624 20 30 BCEDRO C=CC[C@@H](C(=O)OC)N1CCO[C@H](C)C1 ZINC000877896400 590441723 /nfs/dbraw/zinc/44/17/23/590441723.db2.gz ZFFISXCTCAVOIS-ZJUUUORDSA-N 1 0 213.277 0.825 20 30 BCEDRO CC(C)(O)C[C@@H](O)C[NH+]1CCC(C#N)CC1 ZINC000878016433 590472689 /nfs/dbraw/zinc/47/26/89/590472689.db2.gz MJFHXUKVJKKIPC-LLVKDONJSA-N 1 0 226.320 0.744 20 30 BCEDRO CC(C)(O)C[C@H](O)C[NH+]1CCC(C#N)CC1 ZINC000878016434 590472905 /nfs/dbraw/zinc/47/29/05/590472905.db2.gz MJFHXUKVJKKIPC-NSHDSACASA-N 1 0 226.320 0.744 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCN(C[C@@H](C)O)CC1 ZINC000878047230 590481269 /nfs/dbraw/zinc/48/12/69/590481269.db2.gz CSSDMCVLFBBMKN-VXGBXAGGSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CC[C@H](C(=O)OC)N1CC[C@H](C[NH+](C)C)C1 ZINC000878105121 590495352 /nfs/dbraw/zinc/49/53/52/590495352.db2.gz WNZGCIGILYKRCS-VXGBXAGGSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CC[C@H](C(=O)OC)N(C)[C@H]1CCN(C)C1=O ZINC000878120932 590499182 /nfs/dbraw/zinc/49/91/82/590499182.db2.gz PPHNVGOKWAEMHM-VHSXEESVSA-N 1 0 240.303 0.267 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](C)(O)C1 ZINC000878165723 590512711 /nfs/dbraw/zinc/51/27/11/590512711.db2.gz CVFDVQULDZCARV-GXSJLCMTSA-N 1 0 213.277 0.561 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000878335344 590549107 /nfs/dbraw/zinc/54/91/07/590549107.db2.gz LIODUKGYKMXAMC-OPRDCNLKSA-N 1 0 213.277 0.417 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000878319302 590543972 /nfs/dbraw/zinc/54/39/72/590543972.db2.gz OLGNAOQRPOFLIH-BDAKNGLRSA-N 1 0 223.276 0.187 20 30 BCEDRO C=CC[C@@H](C(=O)OC)N1CC[N@H+](C)[C@H](C)C1 ZINC000878317828 590544228 /nfs/dbraw/zinc/54/42/28/590544228.db2.gz WLCPCWJXVOZRJI-MNOVXSKESA-N 1 0 226.320 0.740 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000878319303 590544332 /nfs/dbraw/zinc/54/43/32/590544332.db2.gz OLGNAOQRPOFLIH-DTWKUNHWSA-N 1 0 223.276 0.187 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000878338377 590550715 /nfs/dbraw/zinc/55/07/15/590550715.db2.gz RDCZXHLQKXKMAT-JTQLQIEISA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000878342837 590552882 /nfs/dbraw/zinc/55/28/82/590552882.db2.gz IXTFZIDYNMPZDI-NXEZZACHSA-N 1 0 232.349 0.704 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1CCc2ncnn21)[C@H]1CCCO1 ZINC000878454178 590571040 /nfs/dbraw/zinc/57/10/40/590571040.db2.gz UYYJSVJJELYJPQ-SDDRHHMPSA-N 1 0 246.314 0.536 20 30 BCEDRO C=C[C@@H]1CCCC[N@@H+]1CCn1cnnn1 ZINC000878525328 590586760 /nfs/dbraw/zinc/58/67/60/590586760.db2.gz ZKDSBJIOMUAQMI-SNVBAGLBSA-N 1 0 207.281 0.714 20 30 BCEDRO CC#CC[N@H+](C)C[C@H](O)CC1(O)CCCC1 ZINC000878655824 590599801 /nfs/dbraw/zinc/59/98/01/590599801.db2.gz ANNXCZPUFUQZEY-GFCCVEGCSA-N 1 0 225.332 0.998 20 30 BCEDRO C[C@@H](O)C[NH2+]CCNc1ncccc1C#N ZINC000127265412 590603623 /nfs/dbraw/zinc/60/36/23/590603623.db2.gz YIAGSGUZMNGABC-SECBINFHSA-N 1 0 220.276 0.336 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000878721159 590615673 /nfs/dbraw/zinc/61/56/73/590615673.db2.gz UHHZGQIWXOGKRL-ZJUUUORDSA-N 1 0 240.303 0.172 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000878721156 590616044 /nfs/dbraw/zinc/61/60/44/590616044.db2.gz UHHZGQIWXOGKRL-NXEZZACHSA-N 1 0 240.303 0.172 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878795619 590624224 /nfs/dbraw/zinc/62/42/24/590624224.db2.gz STHHMLUDQBXJDY-VIFPVBQESA-N 1 0 233.271 0.700 20 30 BCEDRO C[C@H](CC#N)NC[C@](O)(C(N)=O)c1ccccc1 ZINC000878821502 590627614 /nfs/dbraw/zinc/62/76/14/590627614.db2.gz ZPCUSJSOTGEXFC-ZWNOBZJWSA-N 1 0 247.298 0.251 20 30 BCEDRO CCN1C[C@@H](CN[C@H](C)CC#N)OC1=O ZINC000878821240 590627745 /nfs/dbraw/zinc/62/77/45/590627745.db2.gz URPZBSQPLNOFEN-RKDXNWHRSA-N 1 0 211.265 0.719 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)O)C1 ZINC000878844088 590631110 /nfs/dbraw/zinc/63/11/10/590631110.db2.gz QNGHSLYXYMSYNL-VXGBXAGGSA-N 1 0 225.332 0.854 20 30 BCEDRO C#CCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878865541 590633974 /nfs/dbraw/zinc/63/39/74/590633974.db2.gz JSMGVZNWCIBJTF-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO C#CC[N@@H+](CCCNC(C)=O)C1CSC1 ZINC000878911672 590648682 /nfs/dbraw/zinc/64/86/82/590648682.db2.gz QHDYSJRNAOHKLF-UHFFFAOYSA-N 1 0 226.345 0.563 20 30 BCEDRO C#CC[N@@H+](C[C@@H](COC)OC)C1CSC1 ZINC000878909787 590647586 /nfs/dbraw/zinc/64/75/86/590647586.db2.gz BVEPAFFJDUYNOX-NSHDSACASA-N 1 0 229.345 0.698 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)CCOCC)C1CSC1 ZINC000878910384 590647657 /nfs/dbraw/zinc/64/76/57/590647657.db2.gz UBRNTJPNIWRRFP-GFCCVEGCSA-N 1 0 243.372 0.825 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)C1CC1)C1CSC1 ZINC000878910539 590647964 /nfs/dbraw/zinc/64/79/64/590647964.db2.gz PHJBOLQXRJFJFK-LLVKDONJSA-N 1 0 211.330 0.808 20 30 BCEDRO C=CC[C@@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000878915461 590650152 /nfs/dbraw/zinc/65/01/52/590650152.db2.gz VQLGGQYSTCNSSZ-LLVKDONJSA-N 1 0 221.308 0.961 20 30 BCEDRO C[C@@H]1CCCC[N@@H+]1CC(N)=NOCCCO ZINC000127402045 590652220 /nfs/dbraw/zinc/65/22/20/590652220.db2.gz PKFICGSTPZCICY-SNVBAGLBSA-N 1 0 229.324 0.532 20 30 BCEDRO C#CCOCC[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000878940681 590656659 /nfs/dbraw/zinc/65/66/59/590656659.db2.gz AKAXEBDKOXKKKJ-CYBMUJFWSA-N 1 0 248.330 0.955 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000878945837 590657042 /nfs/dbraw/zinc/65/70/42/590657042.db2.gz QXDYAEJYGVFXMD-SECBINFHSA-N 1 0 220.276 0.855 20 30 BCEDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000878980800 590667965 /nfs/dbraw/zinc/66/79/65/590667965.db2.gz FMXJMPWHQUKSSW-CABZTGNLSA-N 1 0 236.271 0.469 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCc1nnnn1C ZINC000878991020 590671310 /nfs/dbraw/zinc/67/13/10/590671310.db2.gz CVTLYPSKDOPSEV-PHIMTYICSA-N 1 0 233.319 0.936 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000878994824 590672767 /nfs/dbraw/zinc/67/27/67/590672767.db2.gz BECNEXLCOBPBSA-NEPJUHHUSA-N 1 0 243.347 0.427 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000878995750 590673220 /nfs/dbraw/zinc/67/32/20/590673220.db2.gz VYNIRQMUOMDACY-MNOVXSKESA-N 1 0 229.320 0.179 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCN(C#N)CC ZINC000878998675 590674733 /nfs/dbraw/zinc/67/47/33/590674733.db2.gz UNFWLLTVTIEBEB-UHFFFAOYSA-N 1 0 223.320 0.761 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCN(c2nccnn2)CC1 ZINC000879030420 590680974 /nfs/dbraw/zinc/68/09/74/590680974.db2.gz JWFOLYFARNHYPR-LLVKDONJSA-N 1 0 233.319 0.958 20 30 BCEDRO C=CC[C@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000879032196 590682476 /nfs/dbraw/zinc/68/24/76/590682476.db2.gz OCVKRBJFBQVJOR-JTQLQIEISA-N 1 0 207.281 0.571 20 30 BCEDRO C#CCOCC[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879042184 590685123 /nfs/dbraw/zinc/68/51/23/590685123.db2.gz WQBRKUAGLKVPTQ-LLVKDONJSA-N 1 0 242.294 0.172 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000879062343 590690542 /nfs/dbraw/zinc/69/05/42/590690542.db2.gz SZOXRIPZHCXASU-UWVGGRQHSA-N 1 0 212.293 0.527 20 30 BCEDRO Cc1n[nH]cc1CN(C)CC(=O)NCCC#N ZINC000879186315 590709890 /nfs/dbraw/zinc/70/98/90/590709890.db2.gz ZSQYUZXQTQACEA-UHFFFAOYSA-N 1 0 235.291 0.180 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1C[C@@H](OC)CC[C@H]1C ZINC000879317801 590736430 /nfs/dbraw/zinc/73/64/30/590736430.db2.gz HVWJEINJNWFRJS-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[N@H+]1CCCC[C@H]1CNC(=O)NC ZINC000879335693 590749935 /nfs/dbraw/zinc/74/99/35/590749935.db2.gz VXJUHNYTEJAHAX-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C#CC[N@H+]1CCCC[C@@H]1CNC(=O)NC ZINC000879335694 590749971 /nfs/dbraw/zinc/74/99/71/590749971.db2.gz VXJUHNYTEJAHAX-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C[N@H+](CCc1cccc(C#N)c1)[C@H]1CCNC1=O ZINC000879433742 590768210 /nfs/dbraw/zinc/76/82/10/590768210.db2.gz CWYIKOYPNVXQSM-ZDUSSCGKSA-N 1 0 243.310 0.921 20 30 BCEDRO CC#CC[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879486995 590781306 /nfs/dbraw/zinc/78/13/06/590781306.db2.gz SRQUVSYBCZKUGN-GFCCVEGCSA-N 1 0 220.316 0.986 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533984 590795102 /nfs/dbraw/zinc/79/51/02/590795102.db2.gz KSHKCNJLQHXFOU-BBBLOLIVSA-N 1 0 235.287 0.225 20 30 BCEDRO CN1C(=O)[C@H]2C[N@H+](CC3(CC#N)CC3)C[C@H]2C1=O ZINC000879535279 590796860 /nfs/dbraw/zinc/79/68/60/590796860.db2.gz KXKASLUZZCNFEQ-AOOOYVTPSA-N 1 0 247.298 0.227 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879556607 590800877 /nfs/dbraw/zinc/80/08/77/590800877.db2.gz JQXWYIZIVLIKGP-GHMZBOCLSA-N 1 0 240.372 0.974 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879569375 590807149 /nfs/dbraw/zinc/80/71/49/590807149.db2.gz OFRFPAQIGFRVPJ-AVGNSLFASA-N 1 0 249.358 0.150 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624681 590837425 /nfs/dbraw/zinc/83/74/25/590837425.db2.gz ZCHOKHXYJKUXJZ-LLVKDONJSA-N 1 0 211.305 0.729 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NCC#N)c1ccccc1O ZINC000879648234 590841017 /nfs/dbraw/zinc/84/10/17/590841017.db2.gz FXPSKRKYTRSNOS-SECBINFHSA-N 1 0 233.271 0.683 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)c1ccccc1O ZINC000879652728 590843837 /nfs/dbraw/zinc/84/38/37/590843837.db2.gz HLAPCAVLLSOVTP-JTQLQIEISA-N 1 0 232.283 0.792 20 30 BCEDRO CCC(O)(CC)C(C)(C)[NH2+]CC(=O)NCC#N ZINC000879698196 590850816 /nfs/dbraw/zinc/85/08/16/590850816.db2.gz LYPNUIWZQGJRJF-UHFFFAOYSA-N 1 0 241.335 0.545 20 30 BCEDRO C=C(C)CC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879721129 590855157 /nfs/dbraw/zinc/85/51/57/590855157.db2.gz JWWFNSKGAIANDQ-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879719861 590855609 /nfs/dbraw/zinc/85/56/09/590855609.db2.gz VBRHYESYNJIIID-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879719862 590855822 /nfs/dbraw/zinc/85/58/22/590855822.db2.gz VBRHYESYNJIIID-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCCC[NH+]1CCC(C(=O)NOC)CC1 ZINC000879923365 590889537 /nfs/dbraw/zinc/88/95/37/590889537.db2.gz DOYSFVZOFNHWID-UHFFFAOYSA-N 1 0 224.304 0.789 20 30 BCEDRO C=CCCCC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879997321 590905689 /nfs/dbraw/zinc/90/56/89/590905689.db2.gz HAGIEAHMXIFATB-LBPRGKRZSA-N 1 0 240.347 0.916 20 30 BCEDRO C=CC(C)(C)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879993849 590905733 /nfs/dbraw/zinc/90/57/33/590905733.db2.gz VJSZNHWWVDLDIA-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CF)C1 ZINC000880235966 590966338 /nfs/dbraw/zinc/96/63/38/590966338.db2.gz UGCXKHSKNFQPTD-WDEREUQCSA-N 1 0 226.295 0.806 20 30 BCEDRO CC#CCC[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311839 591001224 /nfs/dbraw/zinc/00/12/24/591001224.db2.gz OGMKHLTVKVWISW-BETUJISGSA-N 1 0 220.316 0.810 20 30 BCEDRO COCC#CC[N@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880432672 591034306 /nfs/dbraw/zinc/03/43/06/591034306.db2.gz GUEYDUIWYUSDMY-NWDGAFQWSA-N 1 0 227.304 0.372 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2[C@H](C)CC[C@@H]2CO)C1=O ZINC000880439561 591041519 /nfs/dbraw/zinc/04/15/19/591041519.db2.gz DEULIQOGPBGMKE-UTUOFQBUSA-N 1 0 238.331 0.619 20 30 BCEDRO C#CCC1(O)CC[NH+](CCOCCC#N)CC1 ZINC000880483613 591056638 /nfs/dbraw/zinc/05/66/38/591056638.db2.gz GJSNFFRZQSLLHD-UHFFFAOYSA-N 1 0 236.315 0.767 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880583599 591100461 /nfs/dbraw/zinc/10/04/61/591100461.db2.gz ZWOKLOYXUIKYSV-LBPRGKRZSA-N 1 0 223.316 0.873 20 30 BCEDRO CC(C)C[C@@H](C(N)=O)[N@H+](C)CCO[C@H](C)C#N ZINC000880589704 591101144 /nfs/dbraw/zinc/10/11/44/591101144.db2.gz FDUZOTGQXCYFRH-MNOVXSKESA-N 1 0 241.335 0.747 20 30 BCEDRO C#CCNC(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000880596046 591105407 /nfs/dbraw/zinc/10/54/07/591105407.db2.gz YNCDIDRHVRNVNG-UHFFFAOYSA-N 1 0 232.287 0.898 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)CSC)CC1 ZINC000989900787 636894498 /nfs/dbraw/zinc/89/44/98/636894498.db2.gz OUZOYTGGYNNERC-UHFFFAOYSA-N 1 0 226.345 0.563 20 30 BCEDRO CC[C@@](C)([NH3+])c1cn(CCO[C@@H](C)C#N)nn1 ZINC000881324497 591191262 /nfs/dbraw/zinc/19/12/62/591191262.db2.gz WAUFRAXOJBHLGT-GXSJLCMTSA-N 1 0 237.307 0.791 20 30 BCEDRO C[C@H](C#N)OCCn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000881323722 591191694 /nfs/dbraw/zinc/19/16/94/591191694.db2.gz OMPDPLYPVRJMKX-GHMZBOCLSA-N 1 0 249.318 0.359 20 30 BCEDRO C=CCC[C@H](O)Cn1cc([C@H](C)[NH3+])nn1 ZINC000881406395 591201497 /nfs/dbraw/zinc/20/14/97/591201497.db2.gz IHJJDRPCAYVFCS-IUCAKERBSA-N 1 0 210.281 0.625 20 30 BCEDRO C#CC1(F)CN(C(=O)C2CC[NH+](C)CC2)C1 ZINC000881945350 591282553 /nfs/dbraw/zinc/28/25/53/591282553.db2.gz LRZBGFNJQMUDSO-UHFFFAOYSA-N 1 0 224.279 0.512 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1cc(C#N)nc(C)n1 ZINC000881984812 591285563 /nfs/dbraw/zinc/28/55/63/591285563.db2.gz SBAKXTIUYRVNHU-NSHDSACASA-N 1 0 235.291 0.432 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC)cn1 ZINC000882486322 591360873 /nfs/dbraw/zinc/36/08/73/591360873.db2.gz QCWPJIUAVPHDEF-CYBMUJFWSA-N 1 0 243.310 0.887 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@H+]1CC ZINC000882492785 591371032 /nfs/dbraw/zinc/37/10/32/591371032.db2.gz WHRZIPNNLAEEJC-PWSUYJOCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882492551 591373229 /nfs/dbraw/zinc/37/32/29/591373229.db2.gz AIEZMOAGGKFLLN-ONGXEEELSA-N 1 0 212.293 0.134 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000882492681 591373244 /nfs/dbraw/zinc/37/32/44/591373244.db2.gz BSYSXXJDCVCXSG-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CC1(C#N)CC1 ZINC000882493990 591374702 /nfs/dbraw/zinc/37/47/02/591374702.db2.gz MJTNGKOSXJJVCC-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO Cc1nc(C#N)cc(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000882672367 591408699 /nfs/dbraw/zinc/40/86/99/591408699.db2.gz KOKYMPNFWOPKED-NSHDSACASA-N 1 0 247.302 0.135 20 30 BCEDRO C#CCCOC(=O)NC[C@H]1CC[N@H+]1CC ZINC000882763962 591428899 /nfs/dbraw/zinc/42/88/99/591428899.db2.gz FXRSRBPRVUGQOD-SNVBAGLBSA-N 1 0 210.277 0.830 20 30 BCEDRO [NH2+]=C(NCc1ncccc1F)NC1CC1 ZINC000130517748 591475433 /nfs/dbraw/zinc/47/54/33/591475433.db2.gz JIFYFKAWSDNKIH-UHFFFAOYSA-N 1 0 208.240 0.787 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNc1c(C#N)cnn1C ZINC000882958624 591483729 /nfs/dbraw/zinc/48/37/29/591483729.db2.gz GDPOVQAZIPTMIU-JTQLQIEISA-N 1 0 219.292 0.798 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNc1c(C#N)cnn1C ZINC000882958625 591484068 /nfs/dbraw/zinc/48/40/68/591484068.db2.gz GDPOVQAZIPTMIU-SNVBAGLBSA-N 1 0 219.292 0.798 20 30 BCEDRO [NH2+]=C(NCC1(C2CC2)CC1)N1CCOCC1 ZINC000130820574 591525563 /nfs/dbraw/zinc/52/55/63/591525563.db2.gz BZRJKSZJFHFTQQ-UHFFFAOYSA-N 1 0 223.320 0.824 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(C)nn1 ZINC000883125292 591544207 /nfs/dbraw/zinc/54/42/07/591544207.db2.gz DTZVRDOSXFOPQS-NSHDSACASA-N 1 0 205.261 0.259 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnn2c1CCC2 ZINC000883125909 591544726 /nfs/dbraw/zinc/54/47/26/591544726.db2.gz YTHCAAMIXITJMF-LLVKDONJSA-N 1 0 219.288 0.303 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccncc1F ZINC000883125659 591544967 /nfs/dbraw/zinc/54/49/67/591544967.db2.gz PZQIZFQWWXRFHL-JTQLQIEISA-N 1 0 208.236 0.695 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1cnnn1CC ZINC000883131265 591546362 /nfs/dbraw/zinc/54/63/62/591546362.db2.gz SMKWIKCPZHZBER-UHFFFAOYSA-N 1 0 235.335 0.343 20 30 BCEDRO C#CCN(C)CCC[NH2+]Cc1cnc(C)nc1 ZINC000883131490 591547226 /nfs/dbraw/zinc/54/72/26/591547226.db2.gz FAEQPXFKTVKRJZ-UHFFFAOYSA-N 1 0 232.331 0.830 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CCOC2)cc1 ZINC000131424518 591608198 /nfs/dbraw/zinc/60/81/98/591608198.db2.gz UZKIVXRBXGDJAG-OLZOCXBDSA-N 1 0 232.283 0.970 20 30 BCEDRO C#CCOCCC(=O)N(CCC)CC[NH+](C)C ZINC000131486173 591613837 /nfs/dbraw/zinc/61/38/37/591613837.db2.gz DSOIFZCHONRUIP-UHFFFAOYSA-N 1 0 240.347 0.827 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)CS(C)(=O)=O ZINC000883390389 591641838 /nfs/dbraw/zinc/64/18/38/591641838.db2.gz LDTVHXMEHXJPGH-ZJUUUORDSA-N 1 0 235.349 0.336 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)Cn1cncn1 ZINC000883392832 591644768 /nfs/dbraw/zinc/64/47/68/591644768.db2.gz PJTFBCUNBJAUCB-QWRGUYRKSA-N 1 0 224.308 0.583 20 30 BCEDRO C#CC1(F)CN(C(=O)NCC[N@@H+](C)C2CC2)C1 ZINC000883399124 591645752 /nfs/dbraw/zinc/64/57/52/591645752.db2.gz FJQCLRSTPRQOGV-UHFFFAOYSA-N 1 0 239.294 0.447 20 30 BCEDRO C[NH2+]CCNC(=O)Nc1cccc(CC#N)n1 ZINC000883587369 591695234 /nfs/dbraw/zinc/69/52/34/591695234.db2.gz GZQSLGPOJRGFQZ-UHFFFAOYSA-N 1 0 233.275 0.489 20 30 BCEDRO CN(CCC[NH3+])C(=O)Nc1cccc(CC#N)n1 ZINC000883587869 591695265 /nfs/dbraw/zinc/69/52/65/591695265.db2.gz UYXOIGGFVCNRAO-UHFFFAOYSA-N 1 0 247.302 0.960 20 30 BCEDRO C[NH2+]CCCNC(=O)Nc1cccc(CC#N)n1 ZINC000883587777 591695987 /nfs/dbraw/zinc/69/59/87/591695987.db2.gz QZVYTDSDQWCKBK-UHFFFAOYSA-N 1 0 247.302 0.879 20 30 BCEDRO CCCCCCNC(=[NH2+])NC[C@H](C)O ZINC000132365198 591705842 /nfs/dbraw/zinc/70/58/42/591705842.db2.gz AGCGNHQQQSCDSF-VIFPVBQESA-N 1 0 201.314 0.852 20 30 BCEDRO CC#CCCNC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883625947 591705925 /nfs/dbraw/zinc/70/59/25/591705925.db2.gz MSTVYBZZKSGDIF-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C=CCONC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883733104 591729412 /nfs/dbraw/zinc/72/94/12/591729412.db2.gz JWLMOIWVLAFRDM-VIFPVBQESA-N 1 0 213.281 0.497 20 30 BCEDRO N#Cc1ccc(C(=O)N2CCC(C[NH3+])CC2)[nH]1 ZINC000884011425 591797814 /nfs/dbraw/zinc/79/78/14/591797814.db2.gz DMUDOXDGYLPJNH-UHFFFAOYSA-N 1 0 232.287 0.697 20 30 BCEDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000884042721 591824587 /nfs/dbraw/zinc/82/45/87/591824587.db2.gz GWBFUVJGAXYDSJ-LDYMZIIASA-N 1 0 248.286 0.075 20 30 BCEDRO CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884047826 591827651 /nfs/dbraw/zinc/82/76/51/591827651.db2.gz MLNHHGMUIZVRPH-YZRBJQDESA-N 1 0 221.304 0.652 20 30 BCEDRO C#CC[C@@H]1CCN(C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000889041708 591831810 /nfs/dbraw/zinc/83/18/10/591831810.db2.gz OSUCPFDEGKRESV-NWDGAFQWSA-N 1 0 237.347 0.991 20 30 BCEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cn[nH]c1)C2 ZINC000884089529 591846457 /nfs/dbraw/zinc/84/64/57/591846457.db2.gz RRNGYZFTMOUGRW-NBBOBHDQSA-N 1 0 245.286 0.488 20 30 BCEDRO CCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884119828 591854652 /nfs/dbraw/zinc/85/46/52/591854652.db2.gz YDBGVVPKHRQOPH-YZRBJQDESA-N 1 0 221.304 0.604 20 30 BCEDRO CON(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884175197 591866271 /nfs/dbraw/zinc/86/62/71/591866271.db2.gz LKCASLPXJJVDRT-YUCVTWSNSA-N 1 0 223.276 0.146 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)nc1 ZINC000884249972 591883903 /nfs/dbraw/zinc/88/39/03/591883903.db2.gz VEWSSCMCVQDUEI-MWLCHTKSSA-N 1 0 230.271 0.231 20 30 BCEDRO Cc1coc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000884250734 591884166 /nfs/dbraw/zinc/88/41/66/591884166.db2.gz MOCXWDOBFXACPM-DTWKUNHWSA-N 1 0 219.244 0.429 20 30 BCEDRO Cc1cnc(F)cc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000884249841 591884247 /nfs/dbraw/zinc/88/42/47/591884247.db2.gz SAPZQZJEXUEPHY-WPRPVWTQSA-N 1 0 248.261 0.371 20 30 BCEDRO COC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCCC1 ZINC000884250958 591884291 /nfs/dbraw/zinc/88/42/91/591884291.db2.gz SJKDQRJNHBRUGW-VHSXEESVSA-N 1 0 237.303 0.173 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000884250274 591884296 /nfs/dbraw/zinc/88/42/96/591884296.db2.gz ATRCBUFGEDUDLH-FIQHERPVSA-N 1 0 233.315 0.650 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884254539 591885007 /nfs/dbraw/zinc/88/50/07/591885007.db2.gz NMSQYUGQXIVTIO-LDYMZIIASA-N 1 0 232.287 0.614 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@@]3(CCC[NH2+]3)C2)[nH]1 ZINC000884344910 591908480 /nfs/dbraw/zinc/90/84/80/591908480.db2.gz SBEPVKJUIJIIJH-ZDUSSCGKSA-N 1 0 244.298 0.854 20 30 BCEDRO C=CC(C)(C)CC(=O)N1CCC(O)(C[NH3+])CC1 ZINC000884346261 591909228 /nfs/dbraw/zinc/90/92/28/591909228.db2.gz DWKUIBMPEVJWHK-UHFFFAOYSA-N 1 0 240.347 0.901 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH3+])C2(C)C)nn1 ZINC000884360839 591914362 /nfs/dbraw/zinc/91/43/62/591914362.db2.gz HSFROMYVVACGII-ZJUUUORDSA-N 1 0 249.318 0.320 20 30 BCEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1C=CCC1)C2 ZINC000884401735 591925957 /nfs/dbraw/zinc/92/59/57/591925957.db2.gz ZPQDFNVQIXWLDP-CBKZZEEASA-N 1 0 245.326 0.961 20 30 BCEDRO CO[C@@H](C[NH3+])C(=O)NCC1(C#N)CCCCC1 ZINC000884411151 591927668 /nfs/dbraw/zinc/92/76/68/591927668.db2.gz DJXXRICOBRVRHM-JTQLQIEISA-N 1 0 239.319 0.550 20 30 BCEDRO N#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@]3([NH3+])C2)[nH]1 ZINC000884426383 591930993 /nfs/dbraw/zinc/93/09/93/591930993.db2.gz KQVUVUDYQSWGIM-ZANVPECISA-N 1 0 244.298 0.840 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C23CCC3)[nH]1 ZINC000884431211 591932574 /nfs/dbraw/zinc/93/25/74/591932574.db2.gz NQFFNFMWHOFFQM-LLVKDONJSA-N 1 0 244.298 0.901 20 30 BCEDRO C=CC(C)(C)CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000884436552 591934014 /nfs/dbraw/zinc/93/40/14/591934014.db2.gz IHMKQANDEKITNQ-SNVBAGLBSA-N 1 0 226.320 0.693 20 30 BCEDRO C[C@@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[NH2+]1 ZINC000884437629 591934056 /nfs/dbraw/zinc/93/40/56/591934056.db2.gz KBIYRSKOYLXUDU-SCZZXKLOSA-N 1 0 232.287 0.757 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC000884445360 591936557 /nfs/dbraw/zinc/93/65/57/591936557.db2.gz LHCHSMDOVSHLRV-ZETCQYMHSA-N 1 0 206.249 0.306 20 30 BCEDRO Cc1[nH]nc(C=NNC2=[NH+]C[C@H](C)N2)c1C ZINC000884447939 591937272 /nfs/dbraw/zinc/93/72/72/591937272.db2.gz NNASGIOMGCCLEM-LURJTMIESA-N 1 0 220.280 0.298 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](OCC)C1 ZINC000885335048 592068829 /nfs/dbraw/zinc/06/88/29/592068829.db2.gz OCFMOPQTCDYCKW-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C#CCCOC(=O)N[C@@H]1CCCN(CC#C)C1 ZINC000885507990 592081415 /nfs/dbraw/zinc/08/14/15/592081415.db2.gz ATGGCLFOUUDWSR-GFCCVEGCSA-N 1 0 234.299 0.834 20 30 BCEDRO CC#CC(=O)NC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000885882966 592105635 /nfs/dbraw/zinc/10/56/35/592105635.db2.gz MOJMKMQPGQSGJH-LBPRGKRZSA-N 1 0 236.315 0.379 20 30 BCEDRO COC(=O)CN(C)C[C@H](O)CC1(C#N)CCC1 ZINC000885937683 592111039 /nfs/dbraw/zinc/11/10/39/592111039.db2.gz HMLFODYHVSKHKO-SNVBAGLBSA-N 1 0 240.303 0.536 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)C[C@@H]1O ZINC000886100053 592154184 /nfs/dbraw/zinc/15/41/84/592154184.db2.gz DJKBTQSWBUPYMT-WOPDTQHZSA-N 1 0 238.331 0.744 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)C[C@@H]1O ZINC000886100052 592154576 /nfs/dbraw/zinc/15/45/76/592154576.db2.gz DJKBTQSWBUPYMT-UTUOFQBUSA-N 1 0 238.331 0.744 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ncnn2CC)C1 ZINC000886209959 592176843 /nfs/dbraw/zinc/17/68/43/592176843.db2.gz ZJZAWFAIMMCAAG-GFCCVEGCSA-N 1 0 247.346 0.485 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2ncnn2C)C1 ZINC000886209366 592176976 /nfs/dbraw/zinc/17/69/76/592176976.db2.gz KVVOTBKFQXFRGK-NSHDSACASA-N 1 0 233.319 0.002 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CN(C)C[C@@H]2C)C1 ZINC000886211158 592177357 /nfs/dbraw/zinc/17/73/57/592177357.db2.gz KFVUYLWVBSUDOF-IHRRRGAJSA-N 1 0 235.375 0.624 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCO[C@@H]2C)C1 ZINC000886211051 592177360 /nfs/dbraw/zinc/17/73/60/592177360.db2.gz IMUZFVKKCNPRFV-AGIUHOORSA-N 1 0 222.332 0.851 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000886213100 592177878 /nfs/dbraw/zinc/17/78/78/592177878.db2.gz MCBLPXQLPFCISU-LLVKDONJSA-N 1 0 218.304 0.597 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886253753 592187297 /nfs/dbraw/zinc/18/72/97/592187297.db2.gz IDEPWHQBFYDIFF-BTTYYORXSA-N 1 0 231.295 0.642 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CCC)C(=O)OC ZINC000886322394 592208062 /nfs/dbraw/zinc/20/80/62/592208062.db2.gz BBHJYIQJROKZTP-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886329623 592210373 /nfs/dbraw/zinc/21/03/73/592210373.db2.gz GYJFNBLDIXHPOW-BBBLOLIVSA-N 1 0 237.303 0.338 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](CC#C)C1 ZINC000886353227 592215310 /nfs/dbraw/zinc/21/53/10/592215310.db2.gz DSLZKIKDESENSS-NSHDSACASA-N 1 0 204.273 0.081 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCOCC(=O)OCC)C1 ZINC000886365485 592219608 /nfs/dbraw/zinc/21/96/08/592219608.db2.gz JMUXVDJQGOPNPD-LBPRGKRZSA-N 1 0 239.315 0.911 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886639898 592285960 /nfs/dbraw/zinc/28/59/60/592285960.db2.gz NNOWISGUPYPBEY-IVZWLZJFSA-N 1 0 213.277 0.465 20 30 BCEDRO C=CCC[C@H](C)[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000886704822 592309005 /nfs/dbraw/zinc/30/90/05/592309005.db2.gz QKFYKFNLGURXNE-VIFPVBQESA-N 1 0 247.302 0.862 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCC(O)(COCCO)CC1 ZINC000886753705 592315591 /nfs/dbraw/zinc/31/55/91/592315591.db2.gz SORBMTFVFFQQTB-LBPRGKRZSA-N 1 0 243.347 0.787 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886832155 592353543 /nfs/dbraw/zinc/35/35/43/592353543.db2.gz BSYGRYISZBAQBM-MNOVXSKESA-N 1 0 237.303 0.127 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886835667 592355279 /nfs/dbraw/zinc/35/52/79/592355279.db2.gz PGGYEIMRIJTYHP-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCN1CC[C@@H](N(CC)[C@H]2CC[NH2+]C2)C1=O ZINC000886848923 592366104 /nfs/dbraw/zinc/36/61/04/592366104.db2.gz UITYTLHHXDUDSX-NWDGAFQWSA-N 1 0 237.347 0.457 20 30 BCEDRO C=CCCS(=O)(=O)NCc1cc(N)cc[nH+]1 ZINC000886893478 592389121 /nfs/dbraw/zinc/38/91/21/592389121.db2.gz XIRBFDPLPQYSPI-UHFFFAOYSA-N 1 0 241.316 0.659 20 30 BCEDRO C#CCC1([NH2+]CC(=O)NCC=C)CCOCC1 ZINC000887126047 592447083 /nfs/dbraw/zinc/44/70/83/592447083.db2.gz UGPINZXFHBNXMW-UHFFFAOYSA-N 1 0 236.315 0.451 20 30 BCEDRO C#CCC1([NH2+]CCC(=O)OC)CCOCC1 ZINC000887125987 592447518 /nfs/dbraw/zinc/44/75/18/592447518.db2.gz RMAPJHQOWVUBSX-UHFFFAOYSA-N 1 0 225.288 0.712 20 30 BCEDRO CNC(NC[C@@H]1CC[C@]2(CO[C@H](C)C2)O1)=[NH+]C ZINC000887324154 592480626 /nfs/dbraw/zinc/48/06/26/592480626.db2.gz STZSMISMNXXJPK-SCVCMEIPSA-N 1 0 241.335 0.508 20 30 BCEDRO CNC(NCc1cc(C2CC2)no1)=[NH+]C ZINC000887323759 592480688 /nfs/dbraw/zinc/48/06/88/592480688.db2.gz GVIVHIATYBGGAM-UHFFFAOYSA-N 1 0 208.265 0.847 20 30 BCEDRO CNC(NC[C@H]1CC2(CCC2)CO1)=[NH+]C ZINC000887324332 592480723 /nfs/dbraw/zinc/48/07/23/592480723.db2.gz ZSDCUXLWLUNLGC-SECBINFHSA-N 1 0 211.309 0.740 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])NCC(F)F ZINC000887356456 592488696 /nfs/dbraw/zinc/48/86/96/592488696.db2.gz DAXIOLXCJGPARB-SSDOTTSWSA-N 1 0 221.251 0.550 20 30 BCEDRO N#Cc1ccc(CNC(=[NH2+])NCC2CC2)nc1 ZINC000887358264 592489637 /nfs/dbraw/zinc/48/96/37/592489637.db2.gz YTWNTTFVALAPJF-UHFFFAOYSA-N 1 0 229.287 0.977 20 30 BCEDRO N#CCCCn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887413781 592503215 /nfs/dbraw/zinc/50/32/15/592503215.db2.gz VQIJMQZOWFTXAK-LLVKDONJSA-N 1 0 248.334 0.505 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887685119 592541983 /nfs/dbraw/zinc/54/19/83/592541983.db2.gz WSADHHMLFAGNOU-LBPRGKRZSA-N 1 0 237.303 0.245 20 30 BCEDRO C=CCCC(=O)N1CCN(C)CC[N@@H+](C)CC1 ZINC000888992394 592576265 /nfs/dbraw/zinc/57/62/65/592576265.db2.gz JPMJBSSMLHYFSU-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C#CCSCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000889207108 592589055 /nfs/dbraw/zinc/58/90/55/592589055.db2.gz SKOYGQHOEJEDJQ-LLVKDONJSA-N 1 0 240.372 0.905 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1cnn(C)c1 ZINC000104179433 592603345 /nfs/dbraw/zinc/60/33/45/592603345.db2.gz IHZNHZPFDWHLHY-UHFFFAOYSA-N 1 0 209.297 0.577 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCCCC(=O)OC ZINC000104181406 592603440 /nfs/dbraw/zinc/60/34/40/592603440.db2.gz JMASHMMFESCYBR-UHFFFAOYSA-N 1 0 229.324 0.986 20 30 BCEDRO C=CCn1cc(CN[C@@H]2C[C@H]([NH3+])C23CCC3)nn1 ZINC000925708021 634399416 /nfs/dbraw/zinc/39/94/16/634399416.db2.gz QSJCLEGBXGKBIM-NWDGAFQWSA-N 1 0 247.346 0.824 20 30 BCEDRO N#Cc1ccc(CCN[C@H]2C[NH2+]CCOC2)cc1 ZINC000925714709 634433007 /nfs/dbraw/zinc/43/30/07/634433007.db2.gz VHYFPZYQYZHUBA-AWEZNQCLSA-N 1 0 245.326 0.679 20 30 BCEDRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NCCC#N)C1 ZINC000198661909 634442913 /nfs/dbraw/zinc/44/29/13/634442913.db2.gz YUGTTYLWPKGLTP-PHIMTYICSA-N 1 0 223.320 0.994 20 30 BCEDRO N#CCCN1CCN([C@@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925726676 634523200 /nfs/dbraw/zinc/52/32/00/634523200.db2.gz JVKMMRXRRXZCOJ-QWHCGFSZSA-N 1 0 248.374 0.788 20 30 BCEDRO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(C)=O)[C@@H]2C1 ZINC000977699231 634556179 /nfs/dbraw/zinc/55/61/79/634556179.db2.gz WPNBTBLTHRPNAW-CNDDSTCGSA-N 1 0 206.289 0.324 20 30 BCEDRO C=C(C)C[N@H+]1C[C@@H]2[C@@H](CNC(C)=O)[C@@H]2C1 ZINC000977685641 634558084 /nfs/dbraw/zinc/55/80/84/634558084.db2.gz ZYNJBOBHSKHMHA-CNDDSTCGSA-N 1 0 208.305 0.876 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccon3)[C@@H]2C1 ZINC000977823453 634565378 /nfs/dbraw/zinc/56/53/78/634565378.db2.gz HLIVNUNCKLEKNH-RTCCRHLQSA-N 1 0 245.282 0.215 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC=CC3)[C@@H]2C1 ZINC000977937105 634569109 /nfs/dbraw/zinc/56/91/09/634569109.db2.gz VTWPLDCEZNIQEZ-ZSOGYDGISA-N 1 0 244.338 0.880 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)NCCC#N)CC[N@@H+]1C ZINC000336106687 634595198 /nfs/dbraw/zinc/59/51/98/634595198.db2.gz CPIPQRUVRIUMCU-LLVKDONJSA-N 1 0 238.335 0.882 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](NC(=O)C(F)F)C1 ZINC001006513582 635372922 /nfs/dbraw/zinc/37/29/22/635372922.db2.gz NHDAXWJOOWMNHI-VIFPVBQESA-N 1 0 230.258 0.855 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ncccn1 ZINC001028216974 635495359 /nfs/dbraw/zinc/49/53/59/635495359.db2.gz OBOYVZRXIHIBSB-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C#CCN1CC[C@@H](NC(=O)c2cn(C)nc2C)C1 ZINC001010378832 635468700 /nfs/dbraw/zinc/46/87/00/635468700.db2.gz UNNJZNXHHXUVAW-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cnon1 ZINC001028215762 635493109 /nfs/dbraw/zinc/49/31/09/635493109.db2.gz XTKIIFKUQGYOLK-SECBINFHSA-N 1 0 236.275 0.450 20 30 BCEDRO CCOCC(C)(C)CNC1=[NH+]C[C@@H](C)N1 ZINC000261530536 635494170 /nfs/dbraw/zinc/49/41/70/635494170.db2.gz CQNIQJZDJROYNF-SECBINFHSA-N 1 0 213.325 0.986 20 30 BCEDRO CC#CCN1CC[C@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010383366 635481735 /nfs/dbraw/zinc/48/17/35/635481735.db2.gz VIMAJRGAKHGXIA-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001010413856 635611290 /nfs/dbraw/zinc/61/12/90/635611290.db2.gz VYFHYGYFBAWIBG-JTQLQIEISA-N 1 0 249.318 0.114 20 30 BCEDRO C#CCC1([NH2+]CC(=O)NCCCOC)CCC1 ZINC000933304478 631217346 /nfs/dbraw/zinc/21/73/46/631217346.db2.gz MWOPCMCCOSDHLR-UHFFFAOYSA-N 1 0 238.331 0.675 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2ccnn2C)C1 ZINC001022022660 631247526 /nfs/dbraw/zinc/24/75/26/631247526.db2.gz SNLOTASASUHDON-PHIMTYICSA-N 1 0 248.330 0.385 20 30 BCEDRO C=CCNC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000891436816 631250455 /nfs/dbraw/zinc/25/04/55/631250455.db2.gz QDCZUDCQYIHMSP-PWSUYJOCSA-N 1 0 223.320 0.766 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC000971488524 631268356 /nfs/dbraw/zinc/26/83/56/631268356.db2.gz CCOXMRAHNAAERU-SNVBAGLBSA-N 1 0 249.318 0.147 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001022043452 631293540 /nfs/dbraw/zinc/29/35/40/631293540.db2.gz GNEQQISNEXLALZ-AOOOYVTPSA-N 1 0 249.318 0.242 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C)nn2)C1 ZINC001022060662 631321582 /nfs/dbraw/zinc/32/15/82/631321582.db2.gz ANHSMAKFQRCSCC-PHIMTYICSA-N 1 0 246.314 0.821 20 30 BCEDRO N#CCSCCC[NH2+][C@@H](CO)C1CC1 ZINC000308536975 631329923 /nfs/dbraw/zinc/32/99/23/631329923.db2.gz GAHYUNKDWBXCIR-JTQLQIEISA-N 1 0 214.334 0.994 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccns2)C1 ZINC000971622735 631350782 /nfs/dbraw/zinc/35/07/82/631350782.db2.gz XXERPQXYXMOUJQ-SNVBAGLBSA-N 1 0 249.339 0.923 20 30 BCEDRO C#CCNC(=O)N1CCC12CC[NH+](C)CC2 ZINC000891569451 631394969 /nfs/dbraw/zinc/39/49/69/631394969.db2.gz USZMCKHDDIWPBH-UHFFFAOYSA-N 1 0 221.304 0.499 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)ncn2C)C1 ZINC001022238711 631427593 /nfs/dbraw/zinc/42/75/93/631427593.db2.gz QMLFKMYTMQRXPG-PHIMTYICSA-N 1 0 246.314 0.212 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]nc2CC)C1 ZINC001022348396 631494307 /nfs/dbraw/zinc/49/43/07/631494307.db2.gz MVJBMIHKABWRKO-AOOOYVTPSA-N 1 0 246.314 0.456 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971848874 631541197 /nfs/dbraw/zinc/54/11/97/631541197.db2.gz UGBRAANTPPQVHQ-VIFPVBQESA-N 1 0 235.291 0.137 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CO2)C1 ZINC001022457540 631570491 /nfs/dbraw/zinc/57/04/91/631570491.db2.gz SQKBVTVFHVNHLJ-WISYIIOYSA-N 1 0 236.315 0.281 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@H]2CO)cc1 ZINC000934024758 631600109 /nfs/dbraw/zinc/60/01/09/631600109.db2.gz GKBCVDGKLDAYMB-STQMWFEESA-N 1 0 232.283 0.658 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC001028352809 635654273 /nfs/dbraw/zinc/65/42/73/635654273.db2.gz MUFYHFIUGCAZRA-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C[C@@H](C(=O)NC1(C#N)CCC1)N1CC[C@H]1CO ZINC000934015412 631606500 /nfs/dbraw/zinc/60/65/00/631606500.db2.gz XUXSEEDFOIDENH-UWVGGRQHSA-N 1 0 237.303 0.004 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]cnc1C ZINC001028352810 635654395 /nfs/dbraw/zinc/65/43/95/635654395.db2.gz MUFYHFIUGCAZRA-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C[C@H](C(=O)NC1(C#N)CCC1)N1CC[C@H]1CO ZINC000934015414 631607946 /nfs/dbraw/zinc/60/79/46/631607946.db2.gz XUXSEEDFOIDENH-ZJUUUORDSA-N 1 0 237.303 0.004 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC001028395461 635665774 /nfs/dbraw/zinc/66/57/74/635665774.db2.gz OFHMTDPMROMCBB-NSHDSACASA-N 1 0 248.330 0.658 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C)no2)C1 ZINC001028394590 635665962 /nfs/dbraw/zinc/66/59/62/635665962.db2.gz CXZBOGBSLPIBPV-NSHDSACASA-N 1 0 247.298 0.668 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC001028394937 635666003 /nfs/dbraw/zinc/66/60/03/635666003.db2.gz JAUXBWQKAHWDMB-LLVKDONJSA-N 1 0 246.314 0.105 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cc(C)no2)C1 ZINC001028394589 635666044 /nfs/dbraw/zinc/66/60/44/635666044.db2.gz CXZBOGBSLPIBPV-LLVKDONJSA-N 1 0 247.298 0.668 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ncoc2C)C1 ZINC001028428028 635668788 /nfs/dbraw/zinc/66/87/88/635668788.db2.gz QBKZCCCHMXCFJF-LLVKDONJSA-N 1 0 247.298 0.668 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001028422637 635669140 /nfs/dbraw/zinc/66/91/40/635669140.db2.gz CCZXQQSPGYJZDB-LLVKDONJSA-N 1 0 246.314 0.485 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cccn2C)C1 ZINC001028413436 635669201 /nfs/dbraw/zinc/66/92/01/635669201.db2.gz BNFRAHXRQSMZQA-LBPRGKRZSA-N 1 0 245.326 0.710 20 30 BCEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])NC1CC1 ZINC000178726182 635675607 /nfs/dbraw/zinc/67/56/07/635675607.db2.gz VYZIBYIRBSCYAT-UHFFFAOYSA-N 1 0 226.324 0.215 20 30 BCEDRO NC(=[NH2+])N=NC1CCO[C@@H](C(F)(F)F)C1 ZINC000308799921 631644463 /nfs/dbraw/zinc/64/44/63/631644463.db2.gz KLSZIYMXBQMJTQ-RXMQYKEDSA-N 1 0 224.186 0.567 20 30 BCEDRO NC(=[NH2+])N=NC1CCO[C@H](C(F)(F)F)C1 ZINC000308799924 631645469 /nfs/dbraw/zinc/64/54/69/631645469.db2.gz KLSZIYMXBQMJTQ-YFKPBYRVSA-N 1 0 224.186 0.567 20 30 BCEDRO C=CCOCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000308799248 631650578 /nfs/dbraw/zinc/65/05/78/631650578.db2.gz LXVJZJACIPMBKM-JTQLQIEISA-N 1 0 212.293 0.433 20 30 BCEDRO C[C@H](C#N)OCC[NH+]1CCC(C)(O)CC1 ZINC000308805296 631667249 /nfs/dbraw/zinc/66/72/49/631667249.db2.gz OKBDKLUELSGYNT-SNVBAGLBSA-N 1 0 212.293 0.762 20 30 BCEDRO CC[NH+]1CCN(CCO[C@H](C)C#N)CC1 ZINC000308824245 631672022 /nfs/dbraw/zinc/67/20/22/631672022.db2.gz QUCGILZUIHOMLE-LLVKDONJSA-N 1 0 211.309 0.553 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCCC[C@H]1CO ZINC000308827571 631674126 /nfs/dbraw/zinc/67/41/26/631674126.db2.gz RWOKDPXWCLKKBQ-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000934129855 631705886 /nfs/dbraw/zinc/70/58/86/631705886.db2.gz WJCMYOZZURKJSZ-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001022606523 631726811 /nfs/dbraw/zinc/72/68/11/631726811.db2.gz JAYIOLVJNCLGQT-WHOHXGKFSA-N 1 0 238.306 0.995 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC001022667625 631749487 /nfs/dbraw/zinc/74/94/87/631749487.db2.gz DYAGIQDDPKYCII-OCAPTIKFSA-N 1 0 238.266 0.585 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCSC[C@@H]1C ZINC000934297130 631764664 /nfs/dbraw/zinc/76/46/64/631764664.db2.gz ABAHQENYIZRQEA-NSHDSACASA-N 1 0 240.372 0.953 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)C(C)C)[C@@H]1CCCO1 ZINC000308961215 631770051 /nfs/dbraw/zinc/77/00/51/631770051.db2.gz ZJAKKVZWTPPGJC-TUAOUCFPSA-N 1 0 211.305 0.774 20 30 BCEDRO C[C@H]1CSCCC[N@@H+]1CC(=O)NCCC#N ZINC000934303155 631773576 /nfs/dbraw/zinc/77/35/76/631773576.db2.gz KYMNNIXFJSNXQL-JTQLQIEISA-N 1 0 241.360 0.844 20 30 BCEDRO CC(C)[C@H]([NH2+]C1CCOCC1)C(=O)NO ZINC000309014030 631799853 /nfs/dbraw/zinc/79/98/53/631799853.db2.gz SWFWIUDGFUMLMT-VIFPVBQESA-N 1 0 216.281 0.285 20 30 BCEDRO CC(C)[C@@H]([NH2+]C1CCOCC1)C(=O)NO ZINC000309014029 631799898 /nfs/dbraw/zinc/79/98/98/631799898.db2.gz SWFWIUDGFUMLMT-SECBINFHSA-N 1 0 216.281 0.285 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCOC12CCCC2 ZINC000934398257 631821894 /nfs/dbraw/zinc/82/18/94/631821894.db2.gz STFRWGLUVNZJLV-NSHDSACASA-N 1 0 238.331 0.980 20 30 BCEDRO C#C[C@H]([NH2+][C@H](CC)C(N)=O)[C@H]1CCCO1 ZINC000309067857 631830040 /nfs/dbraw/zinc/83/00/40/631830040.db2.gz AJWKBGQLCJACFN-IVZWLZJFSA-N 1 0 210.277 0.021 20 30 BCEDRO C[C@@H](C#N)CN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000309058829 631833770 /nfs/dbraw/zinc/83/37/70/631833770.db2.gz HBWUKXBOBIEOJQ-RYUDHWBXSA-N 1 0 225.336 0.535 20 30 BCEDRO COC[C@@H](O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309078486 631837637 /nfs/dbraw/zinc/83/76/37/631837637.db2.gz NEBDMBIXRAKSRZ-DCAQKATOSA-N 1 0 212.293 0.666 20 30 BCEDRO C#CC1(O)CN(C[C@H]2C[C@@H](C)O[C@@H](C)C2)C1 ZINC000934453107 631843532 /nfs/dbraw/zinc/84/35/32/631843532.db2.gz IUEHWVCNIJVKDQ-GDNZZTSVSA-N 1 0 223.316 0.870 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC000934458940 631847281 /nfs/dbraw/zinc/84/72/81/631847281.db2.gz ABANONQFPPBPSO-BDAKNGLRSA-N 1 0 208.261 0.442 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@@H](O)COCCOC ZINC000934461497 631856297 /nfs/dbraw/zinc/85/62/97/631856297.db2.gz YJQDRRWXLABUIP-NWDGAFQWSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](O)COCCOC ZINC000934461502 631857134 /nfs/dbraw/zinc/85/71/34/631857134.db2.gz YJQDRRWXLABUIP-VXGBXAGGSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NCC(=O)OC ZINC000934465209 631861821 /nfs/dbraw/zinc/86/18/21/631861821.db2.gz LAHAKEAPVHUCKW-UWVGGRQHSA-N 1 0 240.303 0.315 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000934471582 631863592 /nfs/dbraw/zinc/86/35/92/631863592.db2.gz UYVNLSDARNSMKJ-NEPJUHHUSA-N 1 0 221.304 0.894 20 30 BCEDRO C=CCC[N@@H+]1CCO[C@]2(CCN(C(C)=O)C2)C1 ZINC000972199393 631865699 /nfs/dbraw/zinc/86/56/99/631865699.db2.gz AUOWDPIATVXMAU-CYBMUJFWSA-N 1 0 238.331 0.886 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]1CC=C ZINC000934472414 631867016 /nfs/dbraw/zinc/86/70/16/631867016.db2.gz OADRTSUWRFGIJW-WDEREUQCSA-N 1 0 206.289 0.775 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000308826947 631871648 /nfs/dbraw/zinc/87/16/48/631871648.db2.gz RRUVOPZQUPVBPJ-GMTAPVOTSA-N 1 0 212.293 0.930 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000308826949 631871900 /nfs/dbraw/zinc/87/19/00/631871900.db2.gz RRUVOPZQUPVBPJ-OUAUKWLOSA-N 1 0 212.293 0.930 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001022745152 631874039 /nfs/dbraw/zinc/87/40/39/631874039.db2.gz NVLZQGXARFPMNX-MLGHIDQZSA-N 1 0 248.326 0.424 20 30 BCEDRO C#CCC[NH2+]C1(CO)COC(C)(C)OC1 ZINC000309108977 631888840 /nfs/dbraw/zinc/88/88/40/631888840.db2.gz IZJXCKUQYPZVOX-UHFFFAOYSA-N 1 0 213.277 0.113 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000972296380 631919593 /nfs/dbraw/zinc/91/95/93/631919593.db2.gz MLZJOLAQWUMNCL-LLVKDONJSA-N 1 0 238.306 0.902 20 30 BCEDRO C=CCNC(=O)c1ccccc1NC(=O)C[NH2+]C ZINC000237285354 631929810 /nfs/dbraw/zinc/92/98/10/631929810.db2.gz ALMDRZSLOAMQFV-UHFFFAOYSA-N 1 0 247.298 0.760 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CO)C1CC1 ZINC000308861306 631975245 /nfs/dbraw/zinc/97/52/45/631975245.db2.gz RMVFHHGMUGYOTH-WPRPVWTQSA-N 1 0 212.293 0.038 20 30 BCEDRO C#C[C@@H]([NH2+]CCCNC(C)=O)[C@@H]1CCCO1 ZINC000309318472 631991817 /nfs/dbraw/zinc/99/18/17/631991817.db2.gz DPOQJARXZRGGQI-NEPJUHHUSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CCO)C1 ZINC000051917083 632013069 /nfs/dbraw/zinc/01/30/69/632013069.db2.gz CQZUEIGSHSPROT-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccncn2)C1 ZINC001022870173 632014877 /nfs/dbraw/zinc/01/48/77/632014877.db2.gz LHMWCUGXFQTKPR-AOOOYVTPSA-N 1 0 232.287 0.513 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000972429810 632030796 /nfs/dbraw/zinc/03/07/96/632030796.db2.gz QMTUJWSDJKBRRR-LBPRGKRZSA-N 1 0 246.314 0.118 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC)cn2)C1 ZINC001022983519 632096010 /nfs/dbraw/zinc/09/60/10/632096010.db2.gz IHIFJQGOGPPCTK-PHIMTYICSA-N 1 0 246.314 0.387 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(CC)on2)C1 ZINC001022991146 632097635 /nfs/dbraw/zinc/09/76/35/632097635.db2.gz ZMOWWRYVLYLBPY-AOOOYVTPSA-N 1 0 247.298 0.721 20 30 BCEDRO C[NH+](C)C[C@@H](O)CNc1ccc(C#N)cn1 ZINC000309447726 632099288 /nfs/dbraw/zinc/09/92/88/632099288.db2.gz KFUQYJQVFFPTOO-JTQLQIEISA-N 1 0 220.276 0.288 20 30 BCEDRO C#CC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924884374 635716933 /nfs/dbraw/zinc/71/69/33/635716933.db2.gz CDEVBLQZWCXURG-MNOVXSKESA-N 1 0 247.298 0.167 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2cncn2)C1 ZINC001023059756 632122144 /nfs/dbraw/zinc/12/21/44/632122144.db2.gz QXOCUQDAUADTDR-PHIMTYICSA-N 1 0 249.318 0.091 20 30 BCEDRO C#CC[C@H]1NC(=O)N([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924884373 635717403 /nfs/dbraw/zinc/71/74/03/635717403.db2.gz CDEVBLQZWCXURG-GHMZBOCLSA-N 1 0 247.298 0.167 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001028530201 635722549 /nfs/dbraw/zinc/72/25/49/635722549.db2.gz QKANSZCKUUMAEA-NSHDSACASA-N 1 0 246.314 0.485 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001028532243 635722582 /nfs/dbraw/zinc/72/25/82/635722582.db2.gz QKHFNWHSFCLTCM-JTQLQIEISA-N 1 0 232.287 0.095 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccns2)C1 ZINC001028575259 635728417 /nfs/dbraw/zinc/72/84/17/635728417.db2.gz HQJZESCXEQJGNC-JTQLQIEISA-N 1 0 249.339 0.828 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC/C=C(\C)C(=O)OC ZINC000927975716 635779617 /nfs/dbraw/zinc/77/96/17/635779617.db2.gz BIRWOUATRVQKBM-RMKNXTFCSA-N 1 0 240.303 0.340 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cnco2)C1 ZINC001028717967 635806941 /nfs/dbraw/zinc/80/69/41/635806941.db2.gz ZICQXXDUDROJCX-JTQLQIEISA-N 1 0 235.287 0.912 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001028740552 635811694 /nfs/dbraw/zinc/81/16/94/635811694.db2.gz KGSHLYBKJVRKDM-GRYCIOLGSA-N 1 0 220.316 0.714 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@H](C)COC ZINC000308911003 632408737 /nfs/dbraw/zinc/40/87/37/632408737.db2.gz DRRBJVSEGAJLQH-JTQLQIEISA-N 1 0 235.349 0.459 20 30 BCEDRO CCC(CC)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000309499257 632416533 /nfs/dbraw/zinc/41/65/33/632416533.db2.gz LAVBWPCDLWFFBR-NXEZZACHSA-N 1 0 209.293 0.650 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2ncc[nH]2)C1 ZINC001023362241 632449731 /nfs/dbraw/zinc/44/97/31/632449731.db2.gz MRXJXMZDYWQNSK-NSHDSACASA-N 1 0 246.314 0.485 20 30 BCEDRO O=C(NO)[C@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000782169617 632476735 /nfs/dbraw/zinc/47/67/35/632476735.db2.gz NSVAYMAVXQEDRJ-NSHDSACASA-N 1 0 235.287 0.799 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000309536346 632478869 /nfs/dbraw/zinc/47/88/69/632478869.db2.gz FEAIFMKZIAWSRH-MWLCHTKSSA-N 1 0 226.320 0.428 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000972593720 632499000 /nfs/dbraw/zinc/49/90/00/632499000.db2.gz SBINTYMSVNQYGO-GFCCVEGCSA-N 1 0 246.310 0.988 20 30 BCEDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000159252523 632515831 /nfs/dbraw/zinc/51/58/31/632515831.db2.gz HVTZHNMNVAUDGA-MNOVXSKESA-N 1 0 239.319 0.252 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000972613932 632533931 /nfs/dbraw/zinc/53/39/31/632533931.db2.gz GBSFOALFSWVAIU-LLVKDONJSA-N 1 0 246.314 0.118 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H](C(N)=O)[C@@H](C)CC ZINC000309590577 632550190 /nfs/dbraw/zinc/55/01/90/632550190.db2.gz UQBJBAVEFKLNFX-DCAQKATOSA-N 1 0 228.336 0.803 20 30 BCEDRO C#C[C@H](CC)[NH2+]C1CCS(=O)(=O)CC1 ZINC000229513562 632569816 /nfs/dbraw/zinc/56/98/16/632569816.db2.gz KBFAJBIERQRHLO-SECBINFHSA-N 1 0 215.318 0.565 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(=O)NCC)[C@H]1CCCO1 ZINC000309639554 632596600 /nfs/dbraw/zinc/59/66/00/632596600.db2.gz KLHRCYBNXJTKNQ-GHMZBOCLSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(C)=O)C[C@@H]1CC ZINC000308968117 632598294 /nfs/dbraw/zinc/59/82/94/632598294.db2.gz XHGQQHSPNJKFED-NWDGAFQWSA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@@H]([NH2+]CC(OC)OC)[C@H]1CCCO1 ZINC000308969479 632599287 /nfs/dbraw/zinc/59/92/87/632599287.db2.gz YESNRVIBKCKLEF-NXEZZACHSA-N 1 0 213.277 0.376 20 30 BCEDRO CC#CC[NH2+]C1(CO)COC(C)(C)OC1 ZINC000309005310 632613960 /nfs/dbraw/zinc/61/39/60/632613960.db2.gz POAOWAVVNNAAKG-UHFFFAOYSA-N 1 0 213.277 0.113 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000309136236 632645057 /nfs/dbraw/zinc/64/50/57/632645057.db2.gz SBTCEKUWKGXHEQ-JGVFFNPUSA-N 1 0 228.317 0.833 20 30 BCEDRO CC1(C)CNC(=O)[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000926613740 632681325 /nfs/dbraw/zinc/68/13/25/632681325.db2.gz FFKCARLFJAWCAX-IVZWLZJFSA-N 1 0 221.304 0.793 20 30 BCEDRO N#CCCNC(=O)C[NH2+]C1(CO)CCCCC1 ZINC000053097381 632797940 /nfs/dbraw/zinc/79/79/40/632797940.db2.gz WHPVWQCEUIZKDT-UHFFFAOYSA-N 1 0 239.319 0.301 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC001028856987 635837212 /nfs/dbraw/zinc/83/72/12/635837212.db2.gz SCQSKVBERKHAEH-NSHDSACASA-N 1 0 248.330 0.956 20 30 BCEDRO CC[C@@H]1COC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925002732 635839202 /nfs/dbraw/zinc/83/92/02/635839202.db2.gz MNCDTMOIQFGRFL-YPMHNXCESA-N 1 0 237.347 0.989 20 30 BCEDRO CN1CCN([NH+]=Cc2cccnc2N)CC1 ZINC000309281755 632883321 /nfs/dbraw/zinc/88/33/21/632883321.db2.gz NLNCZQZRRZXCFV-UHFFFAOYSA-N 1 0 219.292 0.245 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC001028884044 635844560 /nfs/dbraw/zinc/84/45/60/635844560.db2.gz UZMFWDOFPGWFPQ-SNVBAGLBSA-N 1 0 248.286 0.145 20 30 BCEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCC#CCO ZINC000923783454 632892723 /nfs/dbraw/zinc/89/27/23/632892723.db2.gz XCNFHLZUFPGWKT-LLVKDONJSA-N 1 0 241.335 0.012 20 30 BCEDRO COC1(CNC(=[NH2+])NC(C)C)CCOCC1 ZINC000160620762 632991260 /nfs/dbraw/zinc/99/12/60/632991260.db2.gz MBFHWFIYYVFNPJ-UHFFFAOYSA-N 1 0 229.324 0.495 20 30 BCEDRO C#CCCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC000229831123 632992346 /nfs/dbraw/zinc/99/23/46/632992346.db2.gz KSVMTNQYRUTGPQ-NWDGAFQWSA-N 1 0 229.320 0.402 20 30 BCEDRO C=CCNC(=O)N1CCCC[C@H]1C[NH2+]C ZINC000327659975 633057428 /nfs/dbraw/zinc/05/74/28/633057428.db2.gz WOKNCCJGFJHSHT-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO CCOC(=O)CCCNC(NC)=[NH+]C ZINC000303263278 633081224 /nfs/dbraw/zinc/08/12/24/633081224.db2.gz QVAUQVUYFLJZDJ-UHFFFAOYSA-N 1 0 201.270 0.125 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(C#N)cc1 ZINC000309459145 633091904 /nfs/dbraw/zinc/09/19/04/633091904.db2.gz UBBUVTGMAYNYDO-SECBINFHSA-N 1 0 217.272 0.977 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001018593733 633101496 /nfs/dbraw/zinc/10/14/96/633101496.db2.gz QPCJMEPHMXJPCU-MNOVXSKESA-N 1 0 224.304 0.399 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC001018718386 633126376 /nfs/dbraw/zinc/12/63/76/633126376.db2.gz INTMDMMEXYDXMN-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000181949836 633168818 /nfs/dbraw/zinc/16/88/18/633168818.db2.gz RZUFVKIWDGLBEX-JTQLQIEISA-N 1 0 212.293 0.433 20 30 BCEDRO CCCCCCNC(=[NH2+])NCC(=O)NC ZINC000170907034 633176915 /nfs/dbraw/zinc/17/69/15/633176915.db2.gz NQMUFJQYPWSXRX-UHFFFAOYSA-N 1 0 214.313 0.217 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCOC1 ZINC000327982106 633199145 /nfs/dbraw/zinc/19/91/45/633199145.db2.gz JAGPIBWYQOQHIW-GFCCVEGCSA-N 1 0 210.321 0.710 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C1CCN(C=O)CC1 ZINC000894737891 635919145 /nfs/dbraw/zinc/91/91/45/635919145.db2.gz HLAOPPITEPKASA-OLZOCXBDSA-N 1 0 238.331 0.930 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)ccn2)CC[N@@H+]1C ZINC000928433375 635926151 /nfs/dbraw/zinc/92/61/51/635926151.db2.gz DMGKEAKPZNKPRA-KOLCDFICSA-N 1 0 244.298 0.776 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)c2cc(C#N)ccn2)CC[N@@H+]1C ZINC000928433377 635926181 /nfs/dbraw/zinc/92/61/81/635926181.db2.gz DMGKEAKPZNKPRA-MWLCHTKSSA-N 1 0 244.298 0.776 20 30 BCEDRO CCOCCCCNC(=[NH2+])N1CCOCC1 ZINC000303893997 635933345 /nfs/dbraw/zinc/93/33/45/635933345.db2.gz ONBHOTYQUAUOCB-UHFFFAOYSA-N 1 0 229.324 0.450 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)CCCC#N)CC[N@@H+]1C ZINC000928438433 635934350 /nfs/dbraw/zinc/93/43/50/635934350.db2.gz ZXKRQVPTIRCSRI-NXEZZACHSA-N 1 0 209.293 0.889 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)c2ccnc(C#N)c2)CC[N@@H+]1C ZINC000928439024 635935156 /nfs/dbraw/zinc/93/51/56/635935156.db2.gz VYPQGIVMMWDGAQ-BXKDBHETSA-N 1 0 244.298 0.776 20 30 BCEDRO C#Cc1ccc(C[NH2+]CC(=O)N(C)OC)cc1 ZINC000895042290 636019209 /nfs/dbraw/zinc/01/92/09/636019209.db2.gz DZRIDADSYKNFCZ-UHFFFAOYSA-N 1 0 232.283 0.777 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CC)C(=O)NC ZINC000909420731 636023710 /nfs/dbraw/zinc/02/37/10/636023710.db2.gz KSARZDVAJJGUNC-SNVBAGLBSA-N 1 0 241.335 0.135 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)CSCC#N)CC[N@@H+]1C ZINC000928459717 635998735 /nfs/dbraw/zinc/99/87/35/635998735.db2.gz XRDLVJUXQOJUPE-RKDXNWHRSA-N 1 0 227.333 0.452 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000895102655 636057775 /nfs/dbraw/zinc/05/77/75/636057775.db2.gz DKHQARZGWYQNLP-SDDRHHMPSA-N 1 0 239.315 0.692 20 30 BCEDRO Cc1onc(CC(=O)NC[C@H]2CC[N@H+]2C)c1C#N ZINC000928553261 636088290 /nfs/dbraw/zinc/08/82/90/636088290.db2.gz CKKAOZULNPRTSD-SECBINFHSA-N 1 0 248.286 0.218 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)[C@H](C)O1 ZINC000895157739 636099636 /nfs/dbraw/zinc/09/96/36/636099636.db2.gz FFNCSDBDHOGCEM-RGOKHQFPSA-N 1 0 228.292 0.522 20 30 BCEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)CO1 ZINC000895158015 636099758 /nfs/dbraw/zinc/09/97/58/636099758.db2.gz GYUXGIATXUQKMG-DTWKUNHWSA-N 1 0 228.292 0.524 20 30 BCEDRO CS[C@@H]1CC[C@@H]1[NH2+][C@H]1CCCN(O)C1=O ZINC000895157431 636100377 /nfs/dbraw/zinc/10/03/77/636100377.db2.gz CHWQTTVIIOAKQC-XHNCKOQMSA-N 1 0 230.333 0.850 20 30 BCEDRO C#C[C@H]1COCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000852162581 633726787 /nfs/dbraw/zinc/72/67/87/633726787.db2.gz NGVSKZGOIYUFMF-QWHCGFSZSA-N 1 0 240.347 0.022 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000852162580 633727596 /nfs/dbraw/zinc/72/75/96/633727596.db2.gz NGVSKZGOIYUFMF-OLZOCXBDSA-N 1 0 240.347 0.022 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1ccc(CO)o1 ZINC000328115684 633732327 /nfs/dbraw/zinc/73/23/27/633732327.db2.gz PDSFYBOKNPJIBA-UHFFFAOYSA-N 1 0 236.315 0.817 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cc(=O)[nH]cn1 ZINC000328234894 633748146 /nfs/dbraw/zinc/74/81/46/633748146.db2.gz FLMBKIPKAKTWDY-UHFFFAOYSA-N 1 0 220.276 0.549 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000294114968 633751334 /nfs/dbraw/zinc/75/13/34/633751334.db2.gz NBPZFPUNUFDVBH-MNOVXSKESA-N 1 0 240.303 0.619 20 30 BCEDRO C=CCOCCN[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000328573974 633779480 /nfs/dbraw/zinc/77/94/80/633779480.db2.gz WKXFXUPGYNICDM-OBPIAQAESA-N 1 0 222.332 0.775 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001019964152 633803415 /nfs/dbraw/zinc/80/34/15/633803415.db2.gz ZPUZVLAWMMGXQQ-IJLUTSLNSA-N 1 0 238.331 0.978 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2OCC)C1 ZINC001019999471 633804605 /nfs/dbraw/zinc/80/46/05/633804605.db2.gz PRGBDVPORVTKEP-FIQHERPVSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccn2C)C1 ZINC001019993033 633804600 /nfs/dbraw/zinc/80/46/00/633804600.db2.gz YQZWKQVTYZSEOF-XYPYZODXSA-N 1 0 231.299 0.509 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccoc2)C1 ZINC001019986643 633805527 /nfs/dbraw/zinc/80/55/27/633805527.db2.gz XIEYBEUYTHVFKQ-XYPYZODXSA-N 1 0 218.256 0.763 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001020018242 633806166 /nfs/dbraw/zinc/80/61/66/633806166.db2.gz VKIDSJHWIIHTRG-SRVKXCTJSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cnn(C)c2)C1 ZINC001020017238 633806944 /nfs/dbraw/zinc/80/69/44/633806944.db2.gz RVWLSSVUJHWYSH-HAQNSBGRSA-N 1 0 248.330 0.385 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(C)c2)C1 ZINC001020068024 633809423 /nfs/dbraw/zinc/80/94/23/633809423.db2.gz GEYFAJIDPFWYBF-HAQNSBGRSA-N 1 0 231.299 0.509 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cncs2)C1 ZINC001020264627 633815085 /nfs/dbraw/zinc/81/50/85/633815085.db2.gz YHIAWRRJSDZVHN-MGCOHNPYSA-N 1 0 249.339 0.556 20 30 BCEDRO C[C@@H]1CC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000309099213 633848083 /nfs/dbraw/zinc/84/80/83/633848083.db2.gz DZDGELSUZRLHDB-RKDXNWHRSA-N 1 0 205.265 0.538 20 30 BCEDRO C=CC[C@@H](C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000122764827 633855625 /nfs/dbraw/zinc/85/56/25/633855625.db2.gz DRCPNSTWFWWHJN-ZJUUUORDSA-N 1 0 232.349 0.622 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(C)=O)C[C@@H]12 ZINC001026155559 633858315 /nfs/dbraw/zinc/85/83/15/633858315.db2.gz GYJWJSBLWDVKLY-IJLUTSLNSA-N 1 0 206.289 0.466 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930589782 633913671 /nfs/dbraw/zinc/91/36/71/633913671.db2.gz NWGBRJMNCLRFQU-SDDRHHMPSA-N 1 0 209.289 0.745 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000930629796 633955173 /nfs/dbraw/zinc/95/51/73/633955173.db2.gz GMMKQRSWLNSHDR-WRWGMCAJSA-N 1 0 236.315 0.808 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@H]1CCCOC1 ZINC000309665628 633984824 /nfs/dbraw/zinc/98/48/24/633984824.db2.gz HPJCTMOTRAKNJT-LLVKDONJSA-N 1 0 247.360 0.603 20 30 BCEDRO C#Cc1ccc(C(=O)NCC[NH+](C)C)cc1 ZINC000895469944 636148074 /nfs/dbraw/zinc/14/80/74/636148074.db2.gz QGCOBPSLJANBTO-UHFFFAOYSA-N 1 0 216.284 0.959 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@](C)(OC)C1CC1 ZINC000895489370 636149454 /nfs/dbraw/zinc/14/94/54/636149454.db2.gz BHEUGARTOHMKBC-VXGBXAGGSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@H](CO)[NH2+]CC(C)(C)CC(=O)OCC ZINC000895489472 636149831 /nfs/dbraw/zinc/14/98/31/636149831.db2.gz CQPVHXCAOGKTEY-LLVKDONJSA-N 1 0 241.331 0.940 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)C1CCOCC1 ZINC000895489514 636151024 /nfs/dbraw/zinc/15/10/24/636151024.db2.gz DSSVYWODPVGXBY-JQWIXIFHSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000895489551 636151054 /nfs/dbraw/zinc/15/10/54/636151054.db2.gz FWCWEBJXMLXXDL-QWHCGFSZSA-N 1 0 241.331 0.402 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c(C)ccnc1N ZINC000895490404 636151722 /nfs/dbraw/zinc/15/17/22/636151722.db2.gz NYYRFPFJBXUREW-JTQLQIEISA-N 1 0 219.288 0.446 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)C1CCOCC1 ZINC000895489516 636151818 /nfs/dbraw/zinc/15/18/18/636151818.db2.gz DSSVYWODPVGXBY-ZYHUDNBSSA-N 1 0 211.305 0.775 20 30 BCEDRO CCN(C[C@@H](C)C#N)C[C@H](O)C[NH+]1CCCC1 ZINC000309983040 634026269 /nfs/dbraw/zinc/02/62/69/634026269.db2.gz PLHDTWKNPCNJKJ-STQMWFEESA-N 1 0 239.363 0.925 20 30 BCEDRO CCOCCCNC(=[NH2+])N[C@@H](CC)CO ZINC000187140873 634097549 /nfs/dbraw/zinc/09/75/49/634097549.db2.gz MQHVYDIESQJJRE-VIFPVBQESA-N 1 0 217.313 0.088 20 30 BCEDRO N#Cc1ccc(CN[C@@H]2C[NH2+]CCOC2)c(F)c1 ZINC000925609195 634145993 /nfs/dbraw/zinc/14/59/93/634145993.db2.gz QDOLEOWPTLPIKM-GFCCVEGCSA-N 1 0 249.289 0.775 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@H]2CCCS2(=O)=O)C1 ZINC000930884593 634152298 /nfs/dbraw/zinc/15/22/98/634152298.db2.gz GEBFUMQPFVUSDX-NWDGAFQWSA-N 1 0 241.356 0.909 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000930884596 634152486 /nfs/dbraw/zinc/15/24/86/634152486.db2.gz GEULZRKFWSJVCE-NEPJUHHUSA-N 1 0 223.316 0.608 20 30 BCEDRO C=CC[N@H+](C[C@H](O)C1(O)CCC1)[C@@H](C)COC ZINC000930931779 634183000 /nfs/dbraw/zinc/18/30/00/634183000.db2.gz ATCCTTBPWLYTOW-RYUDHWBXSA-N 1 0 243.347 0.785 20 30 BCEDRO C#CC[NH2+]C1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001026579130 634220651 /nfs/dbraw/zinc/22/06/51/634220651.db2.gz NFOGLDRAZCFUFW-UHFFFAOYSA-N 1 0 247.302 0.069 20 30 BCEDRO CC[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001026735506 634311673 /nfs/dbraw/zinc/31/16/73/634311673.db2.gz PPLOPQQNBVUVGU-VHSXEESVSA-N 1 0 209.293 0.604 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnccn1 ZINC001027731223 635127864 /nfs/dbraw/zinc/12/78/64/635127864.db2.gz HQRXQNGEJKOTNN-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001027737593 635129155 /nfs/dbraw/zinc/12/91/55/635129155.db2.gz RZDLPKQINAGLSL-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001027781451 635149545 /nfs/dbraw/zinc/14/95/45/635149545.db2.gz IXEUFEADLFUPFJ-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cnccn2)C1 ZINC001009968817 635155083 /nfs/dbraw/zinc/15/50/83/635155083.db2.gz QTWHHLWKQOEUKM-NSHDSACASA-N 1 0 244.298 0.304 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001027818657 635160664 /nfs/dbraw/zinc/16/06/64/635160664.db2.gz DACBYAHVSNKSMU-CYBMUJFWSA-N 1 0 245.326 0.853 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H](C)COC(C)=O ZINC000893566576 635164741 /nfs/dbraw/zinc/16/47/41/635164741.db2.gz FTBAYMGLXDHRAD-SCZZXKLOSA-N 1 0 201.266 0.465 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)C1=CCOCC1 ZINC001027841913 635173739 /nfs/dbraw/zinc/17/37/39/635173739.db2.gz PKHZLGIBJDXIBH-ZDUSSCGKSA-N 1 0 248.326 0.547 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000980392679 635217882 /nfs/dbraw/zinc/21/78/82/635217882.db2.gz YYIVRQIOYXBFOU-NSHDSACASA-N 1 0 248.330 0.752 20 30 BCEDRO C=C(C)C[N@H+]1CCCN(C(=O)COC)CC1 ZINC000980577224 635237917 /nfs/dbraw/zinc/23/79/17/635237917.db2.gz LBLWHNUXSVDEMQ-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2n[nH]cc21 ZINC000336724457 635255140 /nfs/dbraw/zinc/25/51/40/635255140.db2.gz FVWUYGNNRPOUIS-SCZZXKLOSA-N 1 0 207.277 0.924 20 30 BCEDRO CC#CCN1CCCN(C(=O)c2ccon2)CC1 ZINC000980762089 635270927 /nfs/dbraw/zinc/27/09/27/635270927.db2.gz ICWJZVGCIAUWQS-UHFFFAOYSA-N 1 0 247.298 0.846 20 30 BCEDRO C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000980800678 635273579 /nfs/dbraw/zinc/27/35/79/635273579.db2.gz APYYHLLEZGOTND-GFCCVEGCSA-N 1 0 238.331 0.743 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000980934054 635301874 /nfs/dbraw/zinc/30/18/74/635301874.db2.gz XCKWLFFPORRQGF-WDEREUQCSA-N 1 0 246.314 0.674 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)C(C)C)C1 ZINC001010263585 635302947 /nfs/dbraw/zinc/30/29/47/635302947.db2.gz DNJBDQLSVAITGE-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000981078995 635316174 /nfs/dbraw/zinc/31/61/74/635316174.db2.gz FHTJQYUHYKVBOH-MNOVXSKESA-N 1 0 246.314 0.674 20 30 BCEDRO C#CCN1CCCN(C(=O)CC(C)(C)O)CC1 ZINC000981068587 635316565 /nfs/dbraw/zinc/31/65/65/635316565.db2.gz FWEWASQBSKRZFR-UHFFFAOYSA-N 1 0 238.331 0.315 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661836527 635322409 /nfs/dbraw/zinc/32/24/09/635322409.db2.gz FNUADWDJLZBTRJ-UWVGGRQHSA-N 1 0 224.304 0.182 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC000981304363 635356444 /nfs/dbraw/zinc/35/64/44/635356444.db2.gz QSTKGMUIHQTMIH-ZJUUUORDSA-N 1 0 239.319 0.065 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCC#N ZINC000260879696 635364840 /nfs/dbraw/zinc/36/48/40/635364840.db2.gz ZNUOUGBQXROXMZ-VIFPVBQESA-N 1 0 210.281 0.293 20 30 BCEDRO C#CC[N@H+]1CCCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC000981670415 635383979 /nfs/dbraw/zinc/38/39/79/635383979.db2.gz VXCVBDUVHSWFHR-GFCCVEGCSA-N 1 0 245.326 0.704 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001028210530 635477039 /nfs/dbraw/zinc/47/70/39/635477039.db2.gz CRMWDRGIJSHDQH-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C[C@H]1[C@H](NC(=O)C#CC2CC2)CC[N@@H+]1C ZINC000928430568 635914221 /nfs/dbraw/zinc/91/42/21/635914221.db2.gz HTGMSYUNYZATNZ-GXSJLCMTSA-N 1 0 206.289 0.609 20 30 BCEDRO Cc1c(C(=O)NCC[NH+](C)C)cnn1CCC#N ZINC000895469552 636147237 /nfs/dbraw/zinc/14/72/37/636147237.db2.gz ILXAWSYFCYAQAO-UHFFFAOYSA-N 1 0 249.318 0.397 20 30 BCEDRO C#CC[N@@H+](C)C1CCN(C(=O)CC)CC1 ZINC000985189628 636260980 /nfs/dbraw/zinc/26/09/80/636260980.db2.gz PSXUCUHOLSMJFR-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2n[nH]cc2C)CC1 ZINC000928651078 636262686 /nfs/dbraw/zinc/26/26/86/636262686.db2.gz LYMYOXJXXRIJHN-UHFFFAOYSA-N 1 0 246.314 0.546 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@H]1O ZINC000909577825 636282354 /nfs/dbraw/zinc/28/23/54/636282354.db2.gz UEEFMQXTCJIHGE-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1CCN(CC(F)(F)F)C1 ZINC000303253063 636303127 /nfs/dbraw/zinc/30/31/27/636303127.db2.gz CDVIIGJOZQWYSU-ZCFIWIBFSA-N 1 0 224.230 0.157 20 30 BCEDRO CNC(NCCc1ccc2c(c1)OCO2)=[NH+]C ZINC000303252151 636303495 /nfs/dbraw/zinc/30/34/95/636303495.db2.gz BBGQJTQKXCONFY-UHFFFAOYSA-N 1 0 235.287 0.753 20 30 BCEDRO CNC(=[NH2+])NCc1nncn1-c1ccccc1 ZINC000303259502 636305674 /nfs/dbraw/zinc/30/56/74/636305674.db2.gz MEWBZCCFHLNTTQ-UHFFFAOYSA-N 1 0 230.275 0.301 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCc2cnn(C)c2)C1 ZINC000303891147 636314240 /nfs/dbraw/zinc/31/42/40/636314240.db2.gz QKCMXAYKKJFCGY-JTQLQIEISA-N 1 0 235.335 0.967 20 30 BCEDRO CCCOC(=O)CCNC(NCC)=[NH+]CC ZINC000304022395 636321092 /nfs/dbraw/zinc/32/10/92/636321092.db2.gz YNCHYFVRPMIVBA-UHFFFAOYSA-N 1 0 229.324 0.905 20 30 BCEDRO C[NH+]=C(NCCOc1cccnc1)NC1CC1 ZINC000304109523 636320150 /nfs/dbraw/zinc/32/01/50/636320150.db2.gz FENDZYGJEDJRFK-UHFFFAOYSA-N 1 0 234.303 0.788 20 30 BCEDRO CN(C)C(=[NH+]CCNC(=O)C(C)(C)C)N(C)C ZINC000303988347 636320302 /nfs/dbraw/zinc/32/03/02/636320302.db2.gz WMSFKWPGFSJJJB-UHFFFAOYSA-N 1 0 242.367 0.628 20 30 BCEDRO COCCOCCNC(=[NH2+])N(C)C1CC1 ZINC000305796585 636333089 /nfs/dbraw/zinc/33/30/89/636333089.db2.gz AVPWUVSKKAFGOA-UHFFFAOYSA-N 1 0 215.297 0.058 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1cn(C)cn1 ZINC000320703521 636356235 /nfs/dbraw/zinc/35/62/35/636356235.db2.gz GPNRUHLWMUDUEU-SNVBAGLBSA-N 1 0 209.293 0.837 20 30 BCEDRO C[C@H]1CN(C(=O)c2coc(C#N)c2)CC[C@@H]1[NH3+] ZINC000870937262 636384068 /nfs/dbraw/zinc/38/40/68/636384068.db2.gz YICNRJRHPMDZKG-KWQFWETISA-N 1 0 233.271 0.961 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)COC)[C@@H]1C ZINC000985833460 636424932 /nfs/dbraw/zinc/42/49/32/636424932.db2.gz RFZJNAAFWXGOGB-ZJUUUORDSA-N 1 0 246.738 0.964 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)COC)[C@H]1C ZINC000985847921 636430626 /nfs/dbraw/zinc/43/06/26/636430626.db2.gz QOHXWEKXBDTCFL-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC2CC2)[C@@H]1C ZINC000985848433 636431513 /nfs/dbraw/zinc/43/15/13/636431513.db2.gz FOXUVNSNJQFZGS-ZYHUDNBSSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCC)[C@@H]1C ZINC000985853950 636432748 /nfs/dbraw/zinc/43/27/48/636432748.db2.gz CQOMYMYWEAKDHO-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)nc1 ZINC000728965293 636437419 /nfs/dbraw/zinc/43/74/19/636437419.db2.gz RLZIHVUWMMNKSI-LBPRGKRZSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccon2)[C@@H]1C ZINC000986009816 636466552 /nfs/dbraw/zinc/46/65/52/636466552.db2.gz ZQZPQOMZPREECB-ZJUUUORDSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccon2)[C@H]1C ZINC000986009815 636467092 /nfs/dbraw/zinc/46/70/92/636467092.db2.gz ZQZPQOMZPREECB-VHSXEESVSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cocn2)[C@H]1C ZINC000986047315 636478377 /nfs/dbraw/zinc/47/83/77/636478377.db2.gz QOGPMTHFAQPTIG-VHSXEESVSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C)n2)[C@H]1C ZINC000986059336 636482930 /nfs/dbraw/zinc/48/29/30/636482930.db2.gz VSRQEJDXGIFKBT-GXSJLCMTSA-N 1 0 246.314 0.544 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1C ZINC000986087540 636498268 /nfs/dbraw/zinc/49/82/68/636498268.db2.gz YSQKEYQKCXMLAF-JQWIXIFHSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)cn2)[C@H]1C ZINC000986148482 636532136 /nfs/dbraw/zinc/53/21/36/636532136.db2.gz BAKOSFLVGAHDRS-WDEREUQCSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2coc(C)n2)[C@@H]1C ZINC000986168497 636536396 /nfs/dbraw/zinc/53/63/96/636536396.db2.gz QPTTUUOMFYXULL-KOLCDFICSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(C)c2)[C@@H]1C ZINC000986164769 636537401 /nfs/dbraw/zinc/53/74/01/636537401.db2.gz VXOMOMZIEGSJOP-YPMHNXCESA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC(C)(C)O)[C@H]1C ZINC000986208789 636543809 /nfs/dbraw/zinc/54/38/09/636543809.db2.gz BGWPOTOPHLCDDM-WDEREUQCSA-N 1 0 238.331 0.360 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(C)(C)O)[C@@H]1C ZINC000986208780 636544088 /nfs/dbraw/zinc/54/40/88/636544088.db2.gz BGWPOTOPHLCDDM-MNOVXSKESA-N 1 0 238.331 0.360 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)[C@@H]1C ZINC000986228241 636547928 /nfs/dbraw/zinc/54/79/28/636547928.db2.gz DNZKSLPVVOTJIO-NXEZZACHSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)[C@H]1C ZINC000986258844 636550430 /nfs/dbraw/zinc/55/04/30/636550430.db2.gz QIEIQHVAIDXRQK-VHSXEESVSA-N 1 0 234.303 0.788 20 30 BCEDRO CC[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1C ZINC000986284728 636551698 /nfs/dbraw/zinc/55/16/98/636551698.db2.gz DMRKRGWMUPFTFZ-CMPLNLGQSA-N 1 0 220.316 0.999 20 30 BCEDRO CC[NH2+][C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C ZINC000986284731 636551821 /nfs/dbraw/zinc/55/18/21/636551821.db2.gz DMRKRGWMUPFTFZ-JQWIXIFHSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccsn2)[C@H]1C ZINC000986426607 636555760 /nfs/dbraw/zinc/55/57/60/636555760.db2.gz QXDCKRMVSAOKDA-UWVGGRQHSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CCCC[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000872203667 636574999 /nfs/dbraw/zinc/57/49/99/636574999.db2.gz MIFKWBHDXNWICI-OLZOCXBDSA-N 1 0 225.332 0.901 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnco2)[C@H]1C ZINC000986615070 636579158 /nfs/dbraw/zinc/57/91/58/636579158.db2.gz CRIUZCUSJWSWNJ-VHSXEESVSA-N 1 0 233.271 0.500 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1C ZINC000987069304 636622649 /nfs/dbraw/zinc/62/26/49/636622649.db2.gz PLYQIIPSSHUSCD-JQWIXIFHSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nc(C)c[nH]2)[C@H]1C ZINC000987163647 636638013 /nfs/dbraw/zinc/63/80/13/636638013.db2.gz YUAYLXDEEBZEJJ-QWRGUYRKSA-N 1 0 246.314 0.544 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1C ZINC000987202432 636640783 /nfs/dbraw/zinc/64/07/83/636640783.db2.gz JVXDDFNMGMWJOU-ZJUUUORDSA-N 1 0 249.318 0.573 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccncn2)[C@@H]1C ZINC000987206627 636641683 /nfs/dbraw/zinc/64/16/83/636641683.db2.gz YXLLRWGJTORJNA-GHMZBOCLSA-N 1 0 246.314 0.855 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)[C@@H]1C ZINC000987202429 636641865 /nfs/dbraw/zinc/64/18/65/636641865.db2.gz JVXDDFNMGMWJOU-NXEZZACHSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nccs2)[C@H]1C ZINC000987231856 636643709 /nfs/dbraw/zinc/64/37/09/636643709.db2.gz YFEYPLMCJYEHJA-VHSXEESVSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nocc2C)[C@@H]1C ZINC000987315021 636646438 /nfs/dbraw/zinc/64/64/38/636646438.db2.gz XPHOGJQNVGNFFW-MNOVXSKESA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1C ZINC000987525951 636653354 /nfs/dbraw/zinc/65/33/54/636653354.db2.gz PQFWMINXQSFAMH-WDEREUQCSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccncc2)C1 ZINC000987779968 636666535 /nfs/dbraw/zinc/66/65/35/636666535.db2.gz MEJNJAHBSWMLTN-WCQYABFASA-N 1 0 243.310 0.907 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnccn2)C1 ZINC000987873412 636672596 /nfs/dbraw/zinc/67/25/96/636672596.db2.gz GIVDNNDAMTXGIG-QWRGUYRKSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C)on2)C1 ZINC000987958324 636674130 /nfs/dbraw/zinc/67/41/30/636674130.db2.gz DEMSSOKFZGCAOX-KOLCDFICSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccc[nH]2)C1 ZINC000988035911 636675338 /nfs/dbraw/zinc/67/53/38/636675338.db2.gz IZLHHJNKWOKGSI-MNOVXSKESA-N 1 0 231.299 0.841 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2=COCCC2)C1 ZINC000988306591 636687615 /nfs/dbraw/zinc/68/76/15/636687615.db2.gz VCIAZACCYFIFLL-DGCLKSJQSA-N 1 0 248.326 0.893 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2=COCCC2)C1 ZINC000988306592 636687990 /nfs/dbraw/zinc/68/79/90/636687990.db2.gz VCIAZACCYFIFLL-WCQYABFASA-N 1 0 248.326 0.893 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2ccon2)C1 ZINC000988394971 636701093 /nfs/dbraw/zinc/70/10/93/636701093.db2.gz SQKQYBICYMVYPJ-PWSUYJOCSA-N 1 0 247.298 0.429 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2ccon2)C1 ZINC000988394970 636701606 /nfs/dbraw/zinc/70/16/06/636701606.db2.gz SQKQYBICYMVYPJ-JQWIXIFHSA-N 1 0 247.298 0.429 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cn(C)cn2)C1 ZINC000988617245 636744885 /nfs/dbraw/zinc/74/48/85/636744885.db2.gz BPEWWJAJXQWXDC-QWRGUYRKSA-N 1 0 248.330 0.799 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252661355 636770913 /nfs/dbraw/zinc/77/09/13/636770913.db2.gz IPVRERSAVYLMQX-OUAUKWLOSA-N 1 0 237.303 0.125 20 30 BCEDRO C#CCOCCNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864463103 636779533 /nfs/dbraw/zinc/77/95/33/636779533.db2.gz RTIZZZGZRCUKRA-LLVKDONJSA-N 1 0 223.320 0.892 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ncc[nH]2)C1 ZINC000988799411 636787196 /nfs/dbraw/zinc/78/71/96/636787196.db2.gz CEHHOXSMCKHQAI-VHSXEESVSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc[nH]c2)C1 ZINC000988859204 636790036 /nfs/dbraw/zinc/79/00/36/636790036.db2.gz HBZVMKYZRFBDAR-ZYHUDNBSSA-N 1 0 231.299 0.841 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cncn2C)C1 ZINC000989119220 636799636 /nfs/dbraw/zinc/79/96/36/636799636.db2.gz JIPBRMNHUVDMRU-GHMZBOCLSA-N 1 0 246.314 0.246 20 30 BCEDRO C=CCNC(NCC(=O)N(C)C)=[NH+]C(C)(C)C ZINC000264123239 636803597 /nfs/dbraw/zinc/80/35/97/636803597.db2.gz JDSJTKAAXDZRCK-UHFFFAOYSA-N 1 0 240.351 0.594 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(F)c[nH]2)C1 ZINC000989203068 636803659 /nfs/dbraw/zinc/80/36/59/636803659.db2.gz VEIWSBBGLMUEHL-GXSJLCMTSA-N 1 0 249.289 0.980 20 30 BCEDRO C#CC[N@@H+](C)CCCN1C(=O)[C@H](C)N(C)C1=O ZINC000925306143 636808786 /nfs/dbraw/zinc/80/87/86/636808786.db2.gz GZJNFGNWXOTHNT-JTQLQIEISA-N 1 0 237.303 0.224 20 30 BCEDRO C#CC[N@H+](C)CCCN1C(=O)N[C@@H](C2CC2)C1=O ZINC000925307885 636810475 /nfs/dbraw/zinc/81/04/75/636810475.db2.gz OMEWQAQHUYHTTC-NSHDSACASA-N 1 0 249.314 0.272 20 30 BCEDRO C[C@]1([NH2+]Cc2ccc(C#N)s2)CCNC1=O ZINC000897872366 636841807 /nfs/dbraw/zinc/84/18/07/636841807.db2.gz SVSKGWXAMROPAN-NSHDSACASA-N 1 0 235.312 0.988 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000080108354 636860816 /nfs/dbraw/zinc/86/08/16/636860816.db2.gz IPVRERSAVYLMQX-GMTAPVOTSA-N 1 0 237.303 0.125 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ncccn2)C1 ZINC000989587720 636865575 /nfs/dbraw/zinc/86/55/75/636865575.db2.gz SXQDCVYEIDNCFF-MNOVXSKESA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccnn2)C1 ZINC000989594228 636866523 /nfs/dbraw/zinc/86/65/23/636866523.db2.gz QUPOVSMWXHFXAL-GHMZBOCLSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccnn2)C1 ZINC000989594229 636867593 /nfs/dbraw/zinc/86/75/93/636867593.db2.gz QUPOVSMWXHFXAL-MNOVXSKESA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2oncc2C)C1 ZINC000989631935 636868031 /nfs/dbraw/zinc/86/80/31/636868031.db2.gz NQZYQXILMOGZOD-GHMZBOCLSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CCN1CCCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000989661898 636870854 /nfs/dbraw/zinc/87/08/54/636870854.db2.gz NOLNFYCHNHJPML-ZDUSSCGKSA-N 1 0 249.358 0.106 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ccncc2)CC1 ZINC000989859287 636886129 /nfs/dbraw/zinc/88/61/29/636886129.db2.gz UIPURPNSYPFVFL-UHFFFAOYSA-N 1 0 243.310 0.909 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2cnn(C)c2)CC1 ZINC000989923821 636897158 /nfs/dbraw/zinc/89/71/58/636897158.db2.gz GUXAJVUFMCMOGJ-UHFFFAOYSA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@H](CC)OC)CC1 ZINC000990185243 636922439 /nfs/dbraw/zinc/92/24/39/636922439.db2.gz UNOVXIUGKDRVEP-LBPRGKRZSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(C)C[NH2+]C1CCN(C(=O)CC(N)=O)CC1 ZINC000990422293 636943350 /nfs/dbraw/zinc/94/33/50/636943350.db2.gz DMJDOLRORKTBED-UHFFFAOYSA-N 1 0 239.319 0.019 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927028230 636998492 /nfs/dbraw/zinc/99/84/92/636998492.db2.gz WJAXXQDJIBJLTN-ZJUUUORDSA-N 1 0 235.349 0.336 20 30 BCEDRO N#CCN(CC#N)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900464902 637187635 /nfs/dbraw/zinc/18/76/35/637187635.db2.gz UDFPFEZYQYDDQJ-NEPJUHHUSA-N 1 0 246.314 0.879 20 30 BCEDRO N#CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900464964 637188010 /nfs/dbraw/zinc/18/80/10/637188010.db2.gz WGKOQUDFCFJDGE-UWVGGRQHSA-N 1 0 207.277 0.643 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2nccn2C2CC2)N1 ZINC000901214561 637234672 /nfs/dbraw/zinc/23/46/72/637234672.db2.gz AMOWGUDJRKLUMG-QMMMGPOBSA-N 1 0 232.291 0.489 20 30 BCEDRO CNC(NCc1c(O)cccc1F)=[NH+]C ZINC000905032579 637553305 /nfs/dbraw/zinc/55/33/05/637553305.db2.gz RKHDCUIDPPISGE-UHFFFAOYSA-N 1 0 211.240 0.826 20 30 BCEDRO CNC(NC1CC(CC(=O)OC)C1)=[NH+]C ZINC000905032595 637555041 /nfs/dbraw/zinc/55/50/41/637555041.db2.gz SCOLKHPFZCSAQF-UHFFFAOYSA-N 1 0 213.281 0.123 20 30 BCEDRO N#CCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000905045772 637564067 /nfs/dbraw/zinc/56/40/67/637564067.db2.gz FTGQUXOIXMORAQ-MRVPVSSYSA-N 1 0 212.322 0.910 20 30 BCEDRO N#CCOc1ccc(C[NH2+]CC[N+](=O)[O-])cc1 ZINC000905087637 637585701 /nfs/dbraw/zinc/58/57/01/637585701.db2.gz FSDOQABTKBDSRE-UHFFFAOYSA-N 1 0 235.243 0.955 20 30 BCEDRO C#CCSCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905132768 637643885 /nfs/dbraw/zinc/64/38/85/637643885.db2.gz INGLSSHPYTUYSU-NSHDSACASA-N 1 0 243.372 0.608 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905167234 637678120 /nfs/dbraw/zinc/67/81/20/637678120.db2.gz JIXBUJSENISFSM-GFCCVEGCSA-N 1 0 243.347 0.835 20 30 BCEDRO CC#CCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905199503 637694371 /nfs/dbraw/zinc/69/43/71/637694371.db2.gz BCIKNNVAHPHDMK-NSHDSACASA-N 1 0 211.305 0.655 20 30 BCEDRO C#CCOCC[NH2+]C[C@](O)(CC)C(F)(F)F ZINC000905210427 637698457 /nfs/dbraw/zinc/69/84/57/637698457.db2.gz VBESXPIMBFKAGL-SECBINFHSA-N 1 0 239.237 0.929 20 30 BCEDRO C=CCCCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905220485 637702038 /nfs/dbraw/zinc/70/20/38/637702038.db2.gz RYBCWHAGWYWJQH-STQMWFEESA-N 1 0 243.347 0.835 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)C1(O)CCOCC1)C(C)C ZINC000905245051 637705837 /nfs/dbraw/zinc/70/58/37/637705837.db2.gz TXXZVSHDJHNJKA-RYUDHWBXSA-N 1 0 241.331 0.136 20 30 BCEDRO N#CCC1(C[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000905247803 637707872 /nfs/dbraw/zinc/70/78/72/637707872.db2.gz MKNWJDTZSMLHQL-SNVBAGLBSA-N 1 0 224.304 0.546 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)C2(O)CCC2)nc1 ZINC000905261739 637715179 /nfs/dbraw/zinc/71/51/79/637715179.db2.gz JYXZXEDMHIIGHY-GFCCVEGCSA-N 1 0 247.298 0.319 20 30 BCEDRO C=CC(C)(C)C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905272401 637730466 /nfs/dbraw/zinc/73/04/66/637730466.db2.gz GWHWMDWQEVPNFK-WCQYABFASA-N 1 0 243.347 0.691 20 30 BCEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)C2(O)CCC2)C1 ZINC000905275883 637733072 /nfs/dbraw/zinc/73/30/72/637733072.db2.gz YYCZMQNARQZYDH-SRVKXCTJSA-N 1 0 238.331 0.934 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905355184 637772839 /nfs/dbraw/zinc/77/28/39/637772839.db2.gz UICFXBNOKZYRRV-GHMZBOCLSA-N 1 0 229.320 0.179 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905366559 637789567 /nfs/dbraw/zinc/78/95/67/637789567.db2.gz PDZNYVVSAXWLJF-NEPJUHHUSA-N 1 0 243.347 0.427 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905401219 637795204 /nfs/dbraw/zinc/79/52/04/637795204.db2.gz XBLGNPHLARMYGA-RYUDHWBXSA-N 1 0 241.331 0.280 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905401220 637795770 /nfs/dbraw/zinc/79/57/70/637795770.db2.gz XBLGNPHLARMYGA-VXGBXAGGSA-N 1 0 241.331 0.280 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1C=CCC1 ZINC000905409790 637798163 /nfs/dbraw/zinc/79/81/63/637798163.db2.gz MRIRDZRUYZAMAJ-CHWSQXEVSA-N 1 0 237.347 0.749 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)COCC ZINC000905450639 637810009 /nfs/dbraw/zinc/81/00/09/637810009.db2.gz HQFGXOMUWWHIJX-MNOVXSKESA-N 1 0 217.309 0.301 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)Cn1cccn1 ZINC000905452960 637810162 /nfs/dbraw/zinc/81/01/62/637810162.db2.gz POQWRKMNLJDMPF-NEPJUHHUSA-N 1 0 239.319 0.161 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1 ZINC000905452963 637810453 /nfs/dbraw/zinc/81/04/53/637810453.db2.gz POQWRKMNLJDMPF-RYUDHWBXSA-N 1 0 239.319 0.161 20 30 BCEDRO CCN1CC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000905439386 637814361 /nfs/dbraw/zinc/81/43/61/637814361.db2.gz BZJLLZJLIMLABP-NWDGAFQWSA-N 1 0 237.347 0.725 20 30 BCEDRO Cn1nncc1N=NC1C[C@H]2CCC[N@@H+](C1)C2 ZINC000905473427 637817427 /nfs/dbraw/zinc/81/74/27/637817427.db2.gz JWRCQYYENPWSNA-SECBINFHSA-N 1 0 234.307 0.699 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1cc(C#N)ccn1 ZINC000905479201 637819418 /nfs/dbraw/zinc/81/94/18/637819418.db2.gz QMLPXRHSJOIZNB-UHFFFAOYSA-N 1 0 228.259 0.226 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C[C@@H](O)CC)C1 ZINC000905458620 637823115 /nfs/dbraw/zinc/82/31/15/637823115.db2.gz AZLQZDOKCWQTPF-RYUDHWBXSA-N 1 0 210.321 0.445 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000905459216 637823599 /nfs/dbraw/zinc/82/35/99/637823599.db2.gz FXAZYXWHYCCGRK-QWHCGFSZSA-N 1 0 222.332 0.445 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cc(C#N)ccn1 ZINC000905460769 637824567 /nfs/dbraw/zinc/82/45/67/637824567.db2.gz PNEMIKZXBRRQKK-MRVPVSSYSA-N 1 0 242.286 0.615 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)CSC)C1 ZINC000905461248 637824954 /nfs/dbraw/zinc/82/49/54/637824954.db2.gz PKGSVOBDMXRMTI-VXGBXAGGSA-N 1 0 242.388 0.398 20 30 BCEDRO C#CCN1CCC[C@H](NC(=S)NC(C)C)C1 ZINC000905570404 637851124 /nfs/dbraw/zinc/85/11/24/637851124.db2.gz JLQNOFKRAOKEAK-NSHDSACASA-N 1 0 239.388 0.957 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCS[C@H](C)C1 ZINC000905604220 637852489 /nfs/dbraw/zinc/85/24/89/637852489.db2.gz CNDDGAROGTUJKG-MNOVXSKESA-N 1 0 240.372 1.000 20 30 BCEDRO C=CCNC(=S)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000905650526 637870917 /nfs/dbraw/zinc/87/09/17/637870917.db2.gz QZIGIXOMSJYBQW-IUCAKERBSA-N 1 0 213.350 0.729 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H]2CCC[C@@H]12 ZINC000905667917 637877694 /nfs/dbraw/zinc/87/76/94/637877694.db2.gz SCSMREPTGNATCV-QJPTWQEYSA-N 1 0 220.316 0.904 20 30 BCEDRO C[C@@H](C#N)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC000905727227 637900147 /nfs/dbraw/zinc/90/01/47/637900147.db2.gz ASIODGCHESDPEV-JTQLQIEISA-N 1 0 239.319 0.468 20 30 BCEDRO N#CC1CCC(Cn2nnnc2C[NH3+])CC1 ZINC000905735697 637905290 /nfs/dbraw/zinc/90/52/90/637905290.db2.gz VFFYCDLERUEKSR-UHFFFAOYSA-N 1 0 220.280 0.462 20 30 BCEDRO C=C(C)[C@H](CO)n1cc(C[NH2+]C(C)C)nn1 ZINC000905803866 637932812 /nfs/dbraw/zinc/93/28/12/637932812.db2.gz VHNVJEGNCHEHOG-NSHDSACASA-N 1 0 224.308 0.886 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc(C[NH2+]C(C)C)nn1 ZINC000905802463 637933407 /nfs/dbraw/zinc/93/34/07/637933407.db2.gz HLPWEVDMPRWYNE-SNVBAGLBSA-N 1 0 238.291 0.676 20 30 BCEDRO CC[C@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CCC1 ZINC000905871177 637956719 /nfs/dbraw/zinc/95/67/19/637956719.db2.gz WHBPZFNEWHPTSP-MNOVXSKESA-N 1 0 226.320 0.792 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)C1(O)CCCC1 ZINC000905920646 637974729 /nfs/dbraw/zinc/97/47/29/637974729.db2.gz BABROTHAZYTKSW-LLVKDONJSA-N 1 0 211.305 0.608 20 30 BCEDRO C=CCOCCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905961851 638009467 /nfs/dbraw/zinc/00/94/67/638009467.db2.gz DVBGPILUSDWRAZ-GFCCVEGCSA-N 1 0 243.347 0.835 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CC(=O)OC ZINC000906797541 638251081 /nfs/dbraw/zinc/25/10/81/638251081.db2.gz KCDLKLCEANBSPJ-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO C=C[C@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906964310 638279406 /nfs/dbraw/zinc/27/94/06/638279406.db2.gz LPRXLEUAUATDLK-JTQLQIEISA-N 1 0 225.336 0.171 20 30 BCEDRO C=C(C)CN(C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907241177 638329578 /nfs/dbraw/zinc/32/95/78/638329578.db2.gz BBKWWLURNYRAIW-UHFFFAOYSA-N 1 0 239.363 0.514 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(C)CC(N)=O ZINC000907363922 638362301 /nfs/dbraw/zinc/36/23/01/638362301.db2.gz CYAWPTOGAXSKCN-UHFFFAOYSA-N 1 0 241.335 0.265 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@](C)(CO)COC ZINC000907409376 638375003 /nfs/dbraw/zinc/37/50/03/638375003.db2.gz WWMMQVHUOYCNCB-GFCCVEGCSA-N 1 0 244.335 0.008 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cn(C)cn2)CC1 ZINC000991090387 638375136 /nfs/dbraw/zinc/37/51/36/638375136.db2.gz VKZHTFZPCYRDML-UHFFFAOYSA-N 1 0 246.314 0.248 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOC1CCOCC1 ZINC000907476043 638383786 /nfs/dbraw/zinc/38/37/86/638383786.db2.gz DIVKRZCGVQIJNI-UHFFFAOYSA-N 1 0 242.319 0.721 20 30 BCEDRO C=CCCCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907445258 638385194 /nfs/dbraw/zinc/38/51/94/638385194.db2.gz AGBAEZZOMPKBEM-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CO)C/C=C/C ZINC000907453362 638388114 /nfs/dbraw/zinc/38/81/14/638388114.db2.gz XQLOPDRWVHWINV-BTDICHCPSA-N 1 0 240.347 0.938 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@](O)(CC)C1 ZINC000907551591 638404717 /nfs/dbraw/zinc/40/47/17/638404717.db2.gz YCEYHILGIFNGKS-CYBMUJFWSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H]2C[C@@]2(CO)C1 ZINC000907609999 638409527 /nfs/dbraw/zinc/40/95/27/638409527.db2.gz FKNVDXQKYXKLNR-YPMHNXCESA-N 1 0 238.331 0.335 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](O)C[C@H]1C ZINC000907664534 638437599 /nfs/dbraw/zinc/43/75/99/638437599.db2.gz RAXYFORLTXMRGW-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C#C[C@H](CCC)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907713835 638444032 /nfs/dbraw/zinc/44/40/32/638444032.db2.gz NFSJSGBHJHYDFO-MDZLAQPJSA-N 1 0 238.331 0.360 20 30 BCEDRO C#C[C@H](CCC)NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907713838 638444277 /nfs/dbraw/zinc/44/42/77/638444277.db2.gz NFSJSGBHJHYDFO-WZRBSPASSA-N 1 0 238.331 0.360 20 30 BCEDRO C#CCSCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000907805466 638470080 /nfs/dbraw/zinc/47/00/80/638470080.db2.gz QLMSBAOFSKNJLD-PHIMTYICSA-N 1 0 238.356 0.373 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCC[C@@H](C)O ZINC000907834417 638484307 /nfs/dbraw/zinc/48/43/07/638484307.db2.gz YGXBFEOETHHTQC-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO CC1(C#N)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907924330 638514641 /nfs/dbraw/zinc/51/46/41/638514641.db2.gz NCBYHFWSEHWNHD-UHFFFAOYSA-N 1 0 219.288 0.454 20 30 BCEDRO C#C[C@@H](NC(=O)Cc1c[nH]cn1)C(C)C ZINC000907966037 638528787 /nfs/dbraw/zinc/52/87/87/638528787.db2.gz KLFLEYWNDYEQNT-SNVBAGLBSA-N 1 0 205.261 0.726 20 30 BCEDRO C#C[C@H](NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C)C(C)C ZINC000907965532 638528865 /nfs/dbraw/zinc/52/88/65/638528865.db2.gz FYXUNVRLIPBGEX-NTZNESFSSA-N 1 0 238.331 0.216 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000907980173 638533838 /nfs/dbraw/zinc/53/38/38/638533838.db2.gz RLJDESUYXAPHMW-NSHDSACASA-N 1 0 233.315 0.845 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C(OC)OC ZINC000908201912 638609195 /nfs/dbraw/zinc/60/91/95/638609195.db2.gz MZADXCMIVODPLB-JTQLQIEISA-N 1 0 244.335 0.618 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1Cc2c[nH]nc2C1 ZINC000908332536 638655323 /nfs/dbraw/zinc/65/53/23/638655323.db2.gz QEENPRPMFZSEEX-UHFFFAOYSA-N 1 0 234.303 0.760 20 30 BCEDRO N#CC1CN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000908398565 638694241 /nfs/dbraw/zinc/69/42/41/638694241.db2.gz HHZLNDYGBSZBER-VXGBXAGGSA-N 1 0 233.315 0.985 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](O)CC1 ZINC000908458349 638743395 /nfs/dbraw/zinc/74/33/95/638743395.db2.gz SHQQUQFDDWJBDS-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC2CC(=O)C2)CC1 ZINC000908475732 638745641 /nfs/dbraw/zinc/74/56/41/638745641.db2.gz TVUONHAXKXSAHQ-UHFFFAOYSA-N 1 0 234.299 0.179 20 30 BCEDRO C#C[C@@](C)(CC)NC(=O)Cc1c[nH]cn1 ZINC000908528844 638998900 /nfs/dbraw/zinc/99/89/00/638998900.db2.gz DQVPPRBKNNADFO-NSHDSACASA-N 1 0 205.261 0.870 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CC(=O)NC ZINC000909247477 639182288 /nfs/dbraw/zinc/18/22/88/639182288.db2.gz JJQNLDAJUFPHEE-JTQLQIEISA-N 1 0 241.335 0.135 20 30 BCEDRO N#C[C@H](CO)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000909304974 639201146 /nfs/dbraw/zinc/20/11/46/639201146.db2.gz JASGRFQVPXPKTG-OUAUKWLOSA-N 1 0 237.303 0.004 20 30 BCEDRO N#CC1(C(=O)NCCC[NH3+])CCCCC1 ZINC000911648000 639701088 /nfs/dbraw/zinc/70/10/88/639701088.db2.gz LRHUGQUBIAKVLU-UHFFFAOYSA-N 1 0 209.293 0.925 20 30 BCEDRO C#CCNCC(=O)Nc1cccc(C[NH3+])c1 ZINC000911648073 639701792 /nfs/dbraw/zinc/70/17/92/639701792.db2.gz GPQXCRKWNOVMJJ-UHFFFAOYSA-N 1 0 217.272 0.307 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911719683 639742904 /nfs/dbraw/zinc/74/29/04/639742904.db2.gz NLUGXZXACPBOQD-FOGDFJRCSA-N 1 0 226.320 0.428 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC1CCC([NH3+])CC1 ZINC000911727492 639754053 /nfs/dbraw/zinc/75/40/53/639754053.db2.gz LQHRRWSJYQROPN-AMUVOQDHSA-N 1 0 212.293 0.310 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@H]([NH3+])C2)c(F)c1 ZINC000911729715 639755564 /nfs/dbraw/zinc/75/55/64/639755564.db2.gz HLIIWJABCOMPAQ-VIFPVBQESA-N 1 0 233.246 0.871 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911704553 639758725 /nfs/dbraw/zinc/75/87/25/639758725.db2.gz UUUHDVWFTSDXER-MWLCHTKSSA-N 1 0 212.293 0.039 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911734266 639761228 /nfs/dbraw/zinc/76/12/28/639761228.db2.gz LXXQXERDUAYVKW-CQSZACIVSA-N 1 0 248.326 0.741 20 30 BCEDRO N#CC[C@@H](O)CN1CCOc2cc(O)ccc2C1 ZINC000930460807 639761789 /nfs/dbraw/zinc/76/17/89/639761789.db2.gz RDALVMZBSZVBEC-GFCCVEGCSA-N 1 0 248.282 0.861 20 30 BCEDRO C[C@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@H](O)CC#N ZINC000930458735 639762461 /nfs/dbraw/zinc/76/24/61/639762461.db2.gz XNLIEEMNACJRQH-YNEHKIRRSA-N 1 0 237.347 0.820 20 30 BCEDRO C[NH2+]CCNC(=O)C1(C#N)CCCCC1 ZINC000911746491 639771272 /nfs/dbraw/zinc/77/12/72/639771272.db2.gz VIXNWHTVHKRSRV-UHFFFAOYSA-N 1 0 209.293 0.796 20 30 BCEDRO C#CC[N@H+](Cc1ccccc1)C[C@H](O)[C@@H](C)O ZINC000930476680 639772622 /nfs/dbraw/zinc/77/26/22/639772622.db2.gz RYNKPPOGERAIGY-OCCSQVGLSA-N 1 0 233.311 0.864 20 30 BCEDRO Cc1cnn([C@@H]2CC[N@H+](C[C@H](O)CC#N)C2)c1 ZINC000930526606 639802685 /nfs/dbraw/zinc/80/26/85/639802685.db2.gz QUVOVSRKLMRTKO-VXGBXAGGSA-N 1 0 234.303 0.713 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC([NH2+]C)CC1 ZINC000911787476 639805171 /nfs/dbraw/zinc/80/51/71/639805171.db2.gz RQGRAONBQSCLBD-NSHDSACASA-N 1 0 212.293 0.134 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H]1CCC2(COC2)O1 ZINC000930588284 639814936 /nfs/dbraw/zinc/81/49/36/639814936.db2.gz GLEQDUDCVAYUNT-NSHDSACASA-N 1 0 209.289 0.890 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930600064 639816638 /nfs/dbraw/zinc/81/66/38/639816638.db2.gz FMZXAKLIOWYFNP-UPJWGTAASA-N 1 0 241.331 0.280 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911797096 639819762 /nfs/dbraw/zinc/81/97/62/639819762.db2.gz RDNTYLBILGCWDE-WCABBAIRSA-N 1 0 212.293 0.132 20 30 BCEDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]C[C@H](O)CC#N)C1(C)C ZINC000930633099 639833117 /nfs/dbraw/zinc/83/31/17/639833117.db2.gz NXEKHPHQVFKWRT-LNFKQOIKSA-N 1 0 226.320 0.910 20 30 BCEDRO CO[C@@H]1CC[N@H+](C[C@H](O)CC#N)C[C@H]1C ZINC000930637770 639835994 /nfs/dbraw/zinc/83/59/94/639835994.db2.gz MOWQAXNWUSKOJH-GMTAPVOTSA-N 1 0 212.293 0.618 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000911817313 639849937 /nfs/dbraw/zinc/84/99/37/639849937.db2.gz HCFLEPZIPIGFFO-QXEWZRGKSA-N 1 0 212.293 0.119 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000911817312 639850733 /nfs/dbraw/zinc/85/07/33/639850733.db2.gz HCFLEPZIPIGFFO-NGZCFLSTSA-N 1 0 212.293 0.119 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000911863817 639851955 /nfs/dbraw/zinc/85/19/55/639851955.db2.gz DJJWNOZCTCTSFU-LLVKDONJSA-N 1 0 214.309 0.367 20 30 BCEDRO COC[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930664227 639852445 /nfs/dbraw/zinc/85/24/45/639852445.db2.gz DVIJUMBNRARPNP-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC([NH3+])(CC)CC ZINC000911858421 639862351 /nfs/dbraw/zinc/86/23/51/639862351.db2.gz QINRFLKCHDGIQO-SNVBAGLBSA-N 1 0 214.309 0.557 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000930693462 639863690 /nfs/dbraw/zinc/86/36/90/639863690.db2.gz OIRQPCWTCVPLBZ-QWRGUYRKSA-N 1 0 226.320 0.934 20 30 BCEDRO C=C[C@@H](CC)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911878022 639864696 /nfs/dbraw/zinc/86/46/96/639864696.db2.gz DEDIBBXBAOHBTC-RYUDHWBXSA-N 1 0 239.363 0.690 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H](C[NH3+])CCCC ZINC000911879432 639865426 /nfs/dbraw/zinc/86/54/26/639865426.db2.gz GKNPLXATHDLZJG-KOLCDFICSA-N 1 0 214.309 0.557 20 30 BCEDRO C=C[C@H](CC)CC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000911878020 639865624 /nfs/dbraw/zinc/86/56/24/639865624.db2.gz DEDIBBXBAOHBTC-NEPJUHHUSA-N 1 0 239.363 0.690 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(NC(=O)NC)CC1 ZINC000930725582 639879088 /nfs/dbraw/zinc/87/90/88/639879088.db2.gz GWZHOWDUDBTYBJ-NSHDSACASA-N 1 0 241.335 0.317 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCOCC1 ZINC000911911579 639888977 /nfs/dbraw/zinc/88/89/77/639888977.db2.gz QJHUSRUWYZOFKP-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000930746779 639894066 /nfs/dbraw/zinc/89/40/66/639894066.db2.gz ITABICWNEQHHSB-MNOVXSKESA-N 1 0 212.293 0.134 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000930761440 639903106 /nfs/dbraw/zinc/90/31/06/639903106.db2.gz OOYGXTWFMKSADJ-GHMZBOCLSA-N 1 0 235.291 0.190 20 30 BCEDRO CCOC(=O)/C=C\CN1CC[C@@](O)(CC#N)C1 ZINC000930818389 639913247 /nfs/dbraw/zinc/91/32/47/639913247.db2.gz HCQBKTNAIGBWFF-MVZIDQBPSA-N 1 0 238.287 0.456 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](O)[C@H](C)O)C1 ZINC000930816331 639916488 /nfs/dbraw/zinc/91/64/88/639916488.db2.gz IXGOAVZVUCOKBG-TUAOUCFPSA-N 1 0 211.305 0.463 20 30 BCEDRO CCO[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC#N)[C@@H]1SC ZINC000930822952 639924726 /nfs/dbraw/zinc/92/47/26/639924726.db2.gz YLKLLCCRSUJSTA-DBIOUOCHSA-N 1 0 244.360 0.760 20 30 BCEDRO N#CC[C@@H](O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000930845514 639940207 /nfs/dbraw/zinc/94/02/07/639940207.db2.gz JOSUOSUDMYRWCE-LLVKDONJSA-N 1 0 224.304 0.498 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NCC(=O)NC1CC1 ZINC000912113645 639951424 /nfs/dbraw/zinc/95/14/24/639951424.db2.gz PBRILKNXDYIKCG-JTQLQIEISA-N 1 0 239.319 0.065 20 30 BCEDRO CCOCCOCC[NH2+][C@H](C)CC#N ZINC000930867616 639959637 /nfs/dbraw/zinc/95/96/37/639959637.db2.gz LEOLNLYZXADZPH-SNVBAGLBSA-N 1 0 200.282 0.931 20 30 BCEDRO CCOC(=O)CC[N@H+](C[C@H](O)CC#N)C(C)C ZINC000930892812 639976567 /nfs/dbraw/zinc/97/65/67/639976567.db2.gz QVOLUIPWOHHFJH-LLVKDONJSA-N 1 0 242.319 0.925 20 30 BCEDRO C[C@@H]1C[N@@H+](C[C@H](O)CC#N)C[C@H](C)[C@H]1O ZINC000930995658 640013200 /nfs/dbraw/zinc/01/32/00/640013200.db2.gz LQWXWFDHKSASIH-YTWAJWBKSA-N 1 0 212.293 0.210 20 30 BCEDRO C#CCC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C ZINC000930914061 639983795 /nfs/dbraw/zinc/98/37/95/639983795.db2.gz ZCBVEVZUSXMLFL-VWYCJHECSA-N 1 0 208.305 0.984 20 30 BCEDRO C[C@@H]1CC[C@H](C(N)=O)[C@H](C)[N@@H+]1CCC#N ZINC000930918086 639986481 /nfs/dbraw/zinc/98/64/81/639986481.db2.gz YCMCVQYACJCFHQ-UTLUCORTSA-N 1 0 209.293 0.874 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccccc1OCC ZINC000912237851 639998283 /nfs/dbraw/zinc/99/82/83/639998283.db2.gz ROAGLNDBFBFALK-UHFFFAOYSA-N 1 0 246.310 0.924 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NCCC(=O)OCC ZINC000912271931 640011692 /nfs/dbraw/zinc/01/16/92/640011692.db2.gz HKXMSDMZRYHEQK-JTQLQIEISA-N 1 0 242.319 0.739 20 30 BCEDRO C#CCN(C(=O)[C@H](CC)[NH+](C)C)C1CSC1 ZINC000912367002 640042876 /nfs/dbraw/zinc/04/28/76/640042876.db2.gz MVQUEJKNDNTVLX-NSHDSACASA-N 1 0 240.372 0.904 20 30 BCEDRO C#CCN(C(=O)[C@@H](CC)[NH+](C)C)C1CSC1 ZINC000912367001 640043307 /nfs/dbraw/zinc/04/33/07/640043307.db2.gz MVQUEJKNDNTVLX-LLVKDONJSA-N 1 0 240.372 0.904 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912374401 640044439 /nfs/dbraw/zinc/04/44/39/640044439.db2.gz NNLWYCMGFILXNP-CMPLNLGQSA-N 1 0 224.304 0.134 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000931068313 640056496 /nfs/dbraw/zinc/05/64/96/640056496.db2.gz YPGGZBYGUOFWDL-MNOVXSKESA-N 1 0 229.320 0.179 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H]2CCc3ncnn32)CC1 ZINC000931151212 640077645 /nfs/dbraw/zinc/07/76/45/640077645.db2.gz IFMQUARUVQAJBK-LLVKDONJSA-N 1 0 246.314 0.226 20 30 BCEDRO C#CC1(O)CC[NH+]([C@H](C)c2cnccn2)CC1 ZINC000931151118 640078025 /nfs/dbraw/zinc/07/80/25/640078025.db2.gz NMGIKNCHYDRXIC-LLVKDONJSA-N 1 0 231.299 0.998 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H]2CCc3ncnn32)CC1 ZINC000931151213 640078722 /nfs/dbraw/zinc/07/87/22/640078722.db2.gz IFMQUARUVQAJBK-NSHDSACASA-N 1 0 246.314 0.226 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000931149631 640078885 /nfs/dbraw/zinc/07/88/85/640078885.db2.gz OGNNYGWOFLEIFZ-LLVKDONJSA-N 1 0 209.289 0.217 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H]2CCO[C@@H]2C)CC1 ZINC000931151829 640080634 /nfs/dbraw/zinc/08/06/34/640080634.db2.gz WNPYSRMOXTXXSO-NEPJUHHUSA-N 1 0 223.316 0.872 20 30 BCEDRO CCCCCCCC[C@H]([NH3+])C(=O)NCC(N)=O ZINC000912454031 640082629 /nfs/dbraw/zinc/08/26/29/640082629.db2.gz LKUGILVXFVWJOC-JTQLQIEISA-N 1 0 243.351 0.666 20 30 BCEDRO C[NH+]=C(NC[C@H]1COCCO1)NC(C)(C)C ZINC000912496994 640092700 /nfs/dbraw/zinc/09/27/00/640092700.db2.gz JWBBDPUHUDEATH-VIFPVBQESA-N 1 0 229.324 0.365 20 30 BCEDRO C#CCOCC[N@@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000931193415 640095976 /nfs/dbraw/zinc/09/59/76/640095976.db2.gz YHIUJRAGSVPBGE-UHFFFAOYSA-N 1 0 235.287 0.134 20 30 BCEDRO C=CCOCCCNC(=O)C12CC[NH+](CC1)C2 ZINC000912500815 640098247 /nfs/dbraw/zinc/09/82/47/640098247.db2.gz TYRZJQUSZOHGHX-UHFFFAOYSA-N 1 0 238.331 0.791 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000931194363 640100691 /nfs/dbraw/zinc/10/06/91/640100691.db2.gz CRTAZOYMQCKAOM-LLVKDONJSA-N 1 0 237.303 0.421 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCn2cncc21 ZINC000912584561 640120762 /nfs/dbraw/zinc/12/07/62/640120762.db2.gz PUWNQFMONBRKIN-LLVKDONJSA-N 1 0 248.330 0.952 20 30 BCEDRO C[NH+]1C[C@]2(C)CN(C[C@H](O)CC#N)C[C@@]2(C)C1 ZINC000931313828 640152113 /nfs/dbraw/zinc/15/21/13/640152113.db2.gz GLUUBMHWJRTZJA-JHJVBQTASA-N 1 0 237.347 0.535 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1([C@H](C)O)CC1 ZINC000912694566 640169748 /nfs/dbraw/zinc/16/97/48/640169748.db2.gz XKKZMXWIHSNZRK-JTQLQIEISA-N 1 0 226.320 0.524 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Nc1cnsn1 ZINC000931394530 640176270 /nfs/dbraw/zinc/17/62/70/640176270.db2.gz PXRCMIWFWIXGGD-UHFFFAOYSA-N 1 0 239.304 0.225 20 30 BCEDRO CCC#C[C@@H](C)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000931403545 640181275 /nfs/dbraw/zinc/18/12/75/640181275.db2.gz MUZGYVGUMWHUGQ-VXGBXAGGSA-N 1 0 210.321 0.397 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912906973 640233201 /nfs/dbraw/zinc/23/32/01/640233201.db2.gz CPSGNVMIAFPGAS-WCQYABFASA-N 1 0 238.331 0.620 20 30 BCEDRO N#CCCCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912908450 640234076 /nfs/dbraw/zinc/23/40/76/640234076.db2.gz SZRGLQQZEBUMKC-LLVKDONJSA-N 1 0 221.304 0.987 20 30 BCEDRO C[C@@H](O)[C@H](O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000931507499 640239368 /nfs/dbraw/zinc/23/93/68/640239368.db2.gz AIASYJAGGBUJEQ-BXUZGUMPSA-N 1 0 248.326 0.774 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912903125 640245878 /nfs/dbraw/zinc/24/58/78/640245878.db2.gz JAAGFRKLYBLSJL-NEPJUHHUSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903128 640246309 /nfs/dbraw/zinc/24/63/09/640246309.db2.gz JAAGFRKLYBLSJL-VXGBXAGGSA-N 1 0 236.315 0.331 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904073 640248203 /nfs/dbraw/zinc/24/82/03/640248203.db2.gz VPHSPVRKIHFSLH-GHMZBOCLSA-N 1 0 221.304 0.843 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1c1nc[nH]n1 ZINC000912966240 640267217 /nfs/dbraw/zinc/26/72/17/640267217.db2.gz SNGFDEISUGKHTM-JTQLQIEISA-N 1 0 249.318 0.586 20 30 BCEDRO N#CC1CCC(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)CC1 ZINC000931551213 640269860 /nfs/dbraw/zinc/26/98/60/640269860.db2.gz JCYONEHYUJDZRQ-TUUUFIMRSA-N 1 0 238.331 0.744 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000931564916 640275917 /nfs/dbraw/zinc/27/59/17/640275917.db2.gz VQPFDYKIBIEYKU-MXWKQRLJSA-N 1 0 210.277 0.562 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931633529 640295980 /nfs/dbraw/zinc/29/59/80/640295980.db2.gz GWZBGKYQMVBYDE-RYUDHWBXSA-N 1 0 241.331 0.844 20 30 BCEDRO COC1(OC)CC[N@@H+]([C@@H](C)CCC#N)C[C@@H]1O ZINC000931636766 640296382 /nfs/dbraw/zinc/29/63/82/640296382.db2.gz XLIPQBTYQVXKTM-QWRGUYRKSA-N 1 0 242.319 0.734 20 30 BCEDRO C=CCN1CCN(c2n[nH]c(C)n2)CC1 ZINC000931626312 640297297 /nfs/dbraw/zinc/29/72/97/640297297.db2.gz VMZMHTLSUYTNQF-UHFFFAOYSA-N 1 0 207.281 0.421 20 30 BCEDRO COC1(OC)CC[N@@H+]([C@H](C)CCC#N)C[C@H]1O ZINC000931636764 640299046 /nfs/dbraw/zinc/29/90/46/640299046.db2.gz XLIPQBTYQVXKTM-GHMZBOCLSA-N 1 0 242.319 0.734 20 30 BCEDRO COC1(OC)CC[N@H+](CCCCC#N)C[C@H]1O ZINC000931639777 640301335 /nfs/dbraw/zinc/30/13/35/640301335.db2.gz LBXNCQWUPPKUFS-LLVKDONJSA-N 1 0 242.319 0.736 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000931715522 640336945 /nfs/dbraw/zinc/33/69/45/640336945.db2.gz WZLMJDQOROTJKY-NEPJUHHUSA-N 1 0 223.316 0.608 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@H]2CCCS2(=O)=O)C1 ZINC000931715541 640337203 /nfs/dbraw/zinc/33/72/03/640337203.db2.gz XKESSUKLLDTDMP-VXGBXAGGSA-N 1 0 241.356 0.909 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C(=C)CC[NH+](C)C ZINC000913348092 640356083 /nfs/dbraw/zinc/35/60/83/640356083.db2.gz FPWINTQHGCDHRV-LBPRGKRZSA-N 1 0 238.331 0.649 20 30 BCEDRO CC[C@@H](CO)[NH2+]CCC(=O)N(C)CCC#N ZINC000931770549 640362206 /nfs/dbraw/zinc/36/22/06/640362206.db2.gz GFSURCJEDSKARX-JTQLQIEISA-N 1 0 227.308 0.109 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913390469 640362669 /nfs/dbraw/zinc/36/26/69/640362669.db2.gz SBTMBPHUXJRZBD-JTQLQIEISA-N 1 0 226.320 0.476 20 30 BCEDRO CC[C@@H](CO)[NH2+][C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000931774620 640366582 /nfs/dbraw/zinc/36/65/82/640366582.db2.gz LICMHWDHFJRGHQ-UWVGGRQHSA-N 1 0 239.319 0.298 20 30 BCEDRO CC[C@H](CO)[NH2+][C@H](C)C(=O)NC1(C#N)CCC1 ZINC000931774614 640367373 /nfs/dbraw/zinc/36/73/73/640367373.db2.gz LICMHWDHFJRGHQ-NXEZZACHSA-N 1 0 239.319 0.298 20 30 BCEDRO CO[C@@H](CC(C)C)C(=O)NCC#CC[NH+](C)C ZINC000913523378 640379579 /nfs/dbraw/zinc/37/95/79/640379579.db2.gz YBRQBLWDTZJFPA-LBPRGKRZSA-N 1 0 240.347 0.729 20 30 BCEDRO COc1cccnc1C(=O)NCC#CC[NH+](C)C ZINC000913524973 640379944 /nfs/dbraw/zinc/37/99/44/640379944.db2.gz DWTOWHKQIBYAKH-UHFFFAOYSA-N 1 0 247.298 0.385 20 30 BCEDRO Cc1cnc(F)c(C(=O)NCC#CC[NH+](C)C)c1 ZINC000913525080 640380002 /nfs/dbraw/zinc/38/00/02/640380002.db2.gz JUEFGDXQYIMSOL-UHFFFAOYSA-N 1 0 249.289 0.824 20 30 BCEDRO C[C@H]1CO[C@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913524872 640380166 /nfs/dbraw/zinc/38/01/66/640380166.db2.gz AAKKGUNECNIRQX-MNOVXSKESA-N 1 0 224.304 0.093 20 30 BCEDRO Cc1cnc(F)cc1C(=O)NCC#CC[NH+](C)C ZINC000913524943 640380230 /nfs/dbraw/zinc/38/02/30/640380230.db2.gz CUUQLLBEEFSBFJ-UHFFFAOYSA-N 1 0 249.289 0.824 20 30 BCEDRO CC[C@@H](C)OCC(=O)NCC#CC[NH+](C)C ZINC000913520117 640381688 /nfs/dbraw/zinc/38/16/88/640381688.db2.gz DCIVBLLGXZICCC-LLVKDONJSA-N 1 0 226.320 0.483 20 30 BCEDRO Cc1cc(C(=O)NCC#CC[NH+](C)C)cc(=O)[nH]1 ZINC000913520045 640381979 /nfs/dbraw/zinc/38/19/79/640381979.db2.gz AOBWQCLQFDSZCN-UHFFFAOYSA-N 1 0 247.298 0.390 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CC1(C)C ZINC000913520018 640382566 /nfs/dbraw/zinc/38/25/66/640382566.db2.gz ZEGHCCDOMLMXKJ-SNVBAGLBSA-N 1 0 208.305 0.714 20 30 BCEDRO C[C@@H]1OCC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913520115 640382591 /nfs/dbraw/zinc/38/25/91/640382591.db2.gz CZLDMFYQKWKRBH-QWRGUYRKSA-N 1 0 224.304 0.093 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Cc1ccco1 ZINC000913519837 640382605 /nfs/dbraw/zinc/38/26/05/640382605.db2.gz QNYAMSUBXJKIRH-UHFFFAOYSA-N 1 0 220.272 0.503 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)/C=C/c1ccc[nH]1 ZINC000913521382 640383216 /nfs/dbraw/zinc/38/32/16/640383216.db2.gz WWVOYTRWUSMJDY-BQYQJAHWSA-N 1 0 231.299 0.709 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CCCCS1 ZINC000913521303 640383600 /nfs/dbraw/zinc/38/36/00/640383600.db2.gz SUMHVIRBXLOYNO-NSHDSACASA-N 1 0 240.372 0.953 20 30 BCEDRO CC(C)[C@@H](F)C(=O)NCC#CC[NH+](C)C ZINC000913521214 640383685 /nfs/dbraw/zinc/38/36/85/640383685.db2.gz PDBHCEYAATWGBU-SNVBAGLBSA-N 1 0 214.284 0.662 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932003142 640410782 /nfs/dbraw/zinc/41/07/82/640410782.db2.gz PBPGVVMUAHUZES-WDEREUQCSA-N 1 0 227.304 0.618 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Nc1ccns1 ZINC000932021386 640411287 /nfs/dbraw/zinc/41/12/87/640411287.db2.gz NMEVKERYFGVMJR-UHFFFAOYSA-N 1 0 238.316 0.830 20 30 BCEDRO Cn1ccc([C@@H]2CCC[N@H+](C[C@H](O)CC#N)C2)n1 ZINC000932135940 640437525 /nfs/dbraw/zinc/43/75/25/640437525.db2.gz IWXOBOWBSYURJO-VXGBXAGGSA-N 1 0 248.330 0.874 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCO[C@H](C)CC2)C1=O ZINC000932338651 640480210 /nfs/dbraw/zinc/48/02/10/640480210.db2.gz CTGDVUBCTLPPBK-VXGBXAGGSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CCO[C@H](C)CC2)C1=O ZINC000932338648 640480449 /nfs/dbraw/zinc/48/04/49/640480449.db2.gz CTGDVUBCTLPPBK-NEPJUHHUSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCO[C@@H](C)CC2)C1=O ZINC000932338649 640481995 /nfs/dbraw/zinc/48/19/95/640481995.db2.gz CTGDVUBCTLPPBK-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932375282 640504349 /nfs/dbraw/zinc/50/43/49/640504349.db2.gz NDXSYJNHJWPWAE-AWEZNQCLSA-N 1 0 243.310 0.872 20 30 BCEDRO C#CC[N@H+](C[C@H](O)C1(O)CCCC1)C(C)C ZINC000932384254 640509712 /nfs/dbraw/zinc/50/97/12/640509712.db2.gz OGIMNKGGJFGSQS-LBPRGKRZSA-N 1 0 225.332 0.996 20 30 BCEDRO C#CC[N@H+](CC1(CO)COC1)C(C)(C)C ZINC000932463115 640535565 /nfs/dbraw/zinc/53/55/65/640535565.db2.gz CNZFUFLNFXNGLX-UHFFFAOYSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CC[N@@H+](CC(=O)NCCCOC)C(C)(C)C ZINC000932465448 640537670 /nfs/dbraw/zinc/53/76/70/640537670.db2.gz HCLBKJKCQGOHPV-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CC[N@H+](C[C@@H](O)Cn1cccn1)C(C)(C)C ZINC000932465210 640537972 /nfs/dbraw/zinc/53/79/72/640537972.db2.gz ZMMWXQPJGMFMHG-GFCCVEGCSA-N 1 0 235.331 0.978 20 30 BCEDRO C[C@H]1COC[C@@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000932491035 640555777 /nfs/dbraw/zinc/55/57/77/640555777.db2.gz ZUXDNPWFYYIQRL-QWRGUYRKSA-N 1 0 239.319 0.373 20 30 BCEDRO C[C@H]1COC[C@@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000932493032 640555795 /nfs/dbraw/zinc/55/57/95/640555795.db2.gz WLFQCABZXNNSAM-UWVGGRQHSA-N 1 0 237.303 0.173 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1COC[C@@H]1C ZINC000932497606 640557299 /nfs/dbraw/zinc/55/72/99/640557299.db2.gz LHXUZCMWPOGVIU-NWDGAFQWSA-N 1 0 238.331 0.812 20 30 BCEDRO C[C@H](CC#N)[NH2+]CCC(=O)N1CCCC1 ZINC000157072992 640570780 /nfs/dbraw/zinc/57/07/80/640570780.db2.gz YFIDCJDPBLLYKC-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](C(=O)OCC)C1 ZINC000932643374 640588685 /nfs/dbraw/zinc/58/86/85/640588685.db2.gz WVAKQMAGQHAEBN-LLVKDONJSA-N 1 0 225.288 0.521 20 30 BCEDRO C=CCC[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000932834078 640614127 /nfs/dbraw/zinc/61/41/27/640614127.db2.gz ZERBQAREIHMZLX-LLVKDONJSA-N 1 0 238.331 0.526 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946612 640651676 /nfs/dbraw/zinc/65/16/76/640651676.db2.gz HQSXBLNCBMEAKP-JTQLQIEISA-N 1 0 232.349 0.563 20 30 BCEDRO C=CCCN1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030162161 640644607 /nfs/dbraw/zinc/64/46/07/640644607.db2.gz SXSAHKRDSUKRQE-LBPRGKRZSA-N 1 0 237.347 0.457 20 30 BCEDRO C#CCOCC[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932933983 640646883 /nfs/dbraw/zinc/64/68/83/640646883.db2.gz DPQGCCQJGDVWDW-UHFFFAOYSA-N 1 0 222.288 0.119 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946595 640650736 /nfs/dbraw/zinc/65/07/36/640650736.db2.gz HMAMSTZJZQZDIY-VIFPVBQESA-N 1 0 218.322 0.173 20 30 BCEDRO CNC(=O)C(C)(C)C[NH+]=C(N(C)C)N(C)C ZINC000157377106 640669484 /nfs/dbraw/zinc/66/94/84/640669484.db2.gz IIJFXHUONPJADS-UHFFFAOYSA-N 1 0 228.340 0.238 20 30 BCEDRO CC[C@H]1C(=O)NCCC[N@H+]1CCO[C@@H](C)C#N ZINC000933231461 640687372 /nfs/dbraw/zinc/68/73/72/640687372.db2.gz YKOAFUVEIBFTJS-QWRGUYRKSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCC1([NH2+][C@H](C)c2nnnn2C)CCC1 ZINC000933296715 640700507 /nfs/dbraw/zinc/70/05/07/640700507.db2.gz LSUYTUFAJMHDAC-SECBINFHSA-N 1 0 219.292 0.807 20 30 BCEDRO C#CCCC[N@@H+](C)CC1(O)CCOCC1 ZINC000167206077 640708213 /nfs/dbraw/zinc/70/82/13/640708213.db2.gz SQFZMRMYFCAGSZ-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C[C@@H](CO)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933647986 640738775 /nfs/dbraw/zinc/73/87/75/640738775.db2.gz LRMYSXRMSRAXDY-LLVKDONJSA-N 1 0 239.315 0.953 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933695451 640746608 /nfs/dbraw/zinc/74/66/08/640746608.db2.gz GCRUQDDGJJIDQY-MXWKQRLJSA-N 1 0 246.376 0.807 20 30 BCEDRO C=C(CC)C[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933702002 640747494 /nfs/dbraw/zinc/74/74/94/640747494.db2.gz IYOCIBPBSNNJNJ-MNOVXSKESA-N 1 0 246.376 0.809 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000933733023 640758863 /nfs/dbraw/zinc/75/88/63/640758863.db2.gz YSKGGGQFTQTISH-GMXVVIOVSA-N 1 0 238.331 0.598 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933748962 640759236 /nfs/dbraw/zinc/75/92/36/640759236.db2.gz AJYCFIWMPWYRSR-AAEUAGOBSA-N 1 0 236.315 0.224 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](COC)C1 ZINC000226562880 640775624 /nfs/dbraw/zinc/77/56/24/640775624.db2.gz OCOHMJVOOXKCDR-LLVKDONJSA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCN(CC#C)C(=O)COC1CC[NH+](C)CC1 ZINC000933877512 640776260 /nfs/dbraw/zinc/77/62/60/640776260.db2.gz FLBIDJOENKWCSZ-UHFFFAOYSA-N 1 0 248.326 0.192 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933965124 640795865 /nfs/dbraw/zinc/79/58/65/640795865.db2.gz VHNUSONYQNWFNC-NWDGAFQWSA-N 1 0 225.288 0.126 20 30 BCEDRO C#CCCC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933966079 640797443 /nfs/dbraw/zinc/79/74/43/640797443.db2.gz ZQQYSKDLYXGUEX-NWDGAFQWSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CCO)C1CCCC1 ZINC000934003896 640803878 /nfs/dbraw/zinc/80/38/78/640803878.db2.gz MLQSQJHPODHKJH-GFCCVEGCSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCN1CCN(C(=O)[C@H](C2CC2)[NH+](C)C)CC1 ZINC000948756141 640848166 /nfs/dbraw/zinc/84/81/66/640848166.db2.gz XTSZOGZMIHBADE-ZDUSSCGKSA-N 1 0 249.358 0.104 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000971024705 711494688 /nfs/dbraw/zinc/49/46/88/711494688.db2.gz IUSZYNYGBVGACJ-NEPJUHHUSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CCCN1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001030532272 640899501 /nfs/dbraw/zinc/89/95/01/640899501.db2.gz KJZVXJFFRITFKC-CYBMUJFWSA-N 1 0 249.358 0.294 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCCOCCO)C1 ZINC000170905780 640935125 /nfs/dbraw/zinc/93/51/25/640935125.db2.gz GYUWEXGTETVWDV-SNVBAGLBSA-N 1 0 229.324 0.042 20 30 BCEDRO CCCCCCNC(=[NH2+])NCCOCCO ZINC000170905750 640935966 /nfs/dbraw/zinc/93/59/66/640935966.db2.gz PKCTYYFLVOBBBA-UHFFFAOYSA-N 1 0 231.340 0.480 20 30 BCEDRO CCOC(=O)CCCNC(=[NH2+])N(C)C ZINC000170905355 640936181 /nfs/dbraw/zinc/93/61/81/640936181.db2.gz GSQCMULJFCRPLE-UHFFFAOYSA-N 1 0 201.270 0.206 20 30 BCEDRO CC(C)CCOCCNC(=[NH2+])N(C)C ZINC000170909034 640937193 /nfs/dbraw/zinc/93/71/93/640937193.db2.gz VLUDCARMDRNERX-UHFFFAOYSA-N 1 0 201.314 0.925 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000171045073 640953047 /nfs/dbraw/zinc/95/30/47/640953047.db2.gz GSOVCJHEZPEKPA-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCCCC[NH2+]CCS(C)(=O)=O 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641112684 /nfs/dbraw/zinc/11/26/84/641112684.db2.gz SXEFRPOHVZAQPV-VXGBXAGGSA-N 1 0 223.320 0.431 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)Cc1cccnc1 ZINC000934242601 641113358 /nfs/dbraw/zinc/11/33/58/641113358.db2.gz XBPGHPRPCRDHJJ-NSHDSACASA-N 1 0 233.315 0.904 20 30 BCEDRO C[C@@H]1CSCCC[N@@H+]1CC(=O)NCC#N ZINC000934299958 641120534 /nfs/dbraw/zinc/12/05/34/641120534.db2.gz MUYIPWQDZRXRQV-SECBINFHSA-N 1 0 227.333 0.454 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934391013 641138643 /nfs/dbraw/zinc/13/86/43/641138643.db2.gz JDNKMHIBRFUQCM-SNVBAGLBSA-N 1 0 237.303 0.317 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]1CC=C ZINC000934473214 641167785 /nfs/dbraw/zinc/16/77/85/641167785.db2.gz XXMBVBSSEHGRQV-JTQLQIEISA-N 1 0 237.303 0.649 20 30 BCEDRO C#C[C@@H]1CCCCN1CC(=O)NC(C)C ZINC000934511395 641178577 /nfs/dbraw/zinc/17/85/77/641178577.db2.gz UOFNXCYLQJEGSL-LLVKDONJSA-N 1 0 208.305 0.999 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1CCCC(=O)NC(N)=O ZINC000934511507 641178669 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641205443 /nfs/dbraw/zinc/20/54/43/641205443.db2.gz WTMPRRWPBRVKCL-CHWSQXEVSA-N 1 0 242.363 0.936 20 30 BCEDRO C#CCSCC[NH2+]Cc1ncnn1C ZINC000231946608 641221012 /nfs/dbraw/zinc/22/10/12/641221012.db2.gz YGKMPKFOKRLZIQ-UHFFFAOYSA-N 1 0 210.306 0.271 20 30 BCEDRO C#CCSCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000231948363 641219576 /nfs/dbraw/zinc/21/95/76/641219576.db2.gz JZEGOHUMXHGXKZ-NSHDSACASA-N 1 0 239.344 0.200 20 30 BCEDRO C[C@]12CSC[C@H]1C[N@H+](CC(=O)NCC#N)C2 ZINC000934775911 641267087 /nfs/dbraw/zinc/26/70/87/641267087.db2.gz AFXQSVOUNVYMCG-KOLCDFICSA-N 1 0 239.344 0.311 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](C)[C@H]1C ZINC000088077832 641312419 /nfs/dbraw/zinc/31/24/19/641312419.db2.gz BTMQWPVSURWSDD-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C(=O)NC)C1 ZINC000929618342 641377933 /nfs/dbraw/zinc/37/79/33/641377933.db2.gz IVJHJUOZZFWTLZ-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO CC1(C)C[N@H+](C[C@H](O)CC#N)CCCO1 ZINC000929667422 641390756 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641880361 /nfs/dbraw/zinc/88/03/61/641880361.db2.gz HYCQPHKIRIOORK-NXEZZACHSA-N 1 0 239.319 0.017 20 30 BCEDRO C=CC[N@H+](CCOC)CCC1OCCO1 ZINC000191114653 641903033 /nfs/dbraw/zinc/90/30/33/641903033.db2.gz WYKIOWGYFHEOBC-UHFFFAOYSA-N 1 0 215.293 0.884 20 30 BCEDRO CC[C@@H](CO)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000916570832 641948426 /nfs/dbraw/zinc/94/84/26/641948426.db2.gz XDQDUJGBEVNMGE-CMPLNLGQSA-N 1 0 241.335 0.401 20 30 BCEDRO C#CCN1CCC[N@H+](C[C@@H]2CCCO2)CC1 ZINC000917052874 641997051 /nfs/dbraw/zinc/99/70/51/641997051.db2.gz SRZSIHNYTMKXOT-ZDUSSCGKSA-N 1 0 222.332 0.806 20 30 BCEDRO NC(=[NH2+])NN=C1COc2ccc(F)cc21 ZINC000918153172 642173726 /nfs/dbraw/zinc/17/37/26/642173726.db2.gz VVMJILVVLHNATA-UHFFFAOYSA-N 1 0 208.196 0.405 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2cnccn2)C1 ZINC001031524100 642267007 /nfs/dbraw/zinc/26/70/07/642267007.db2.gz XODOKUGTPUBDJR-UHFFFAOYSA-N 1 0 246.314 0.714 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC001031531802 642277488 /nfs/dbraw/zinc/27/74/88/642277488.db2.gz FPJOLZPYCDGANS-LBPRGKRZSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2CCOCC2)C1 ZINC001021763599 642310669 /nfs/dbraw/zinc/31/06/69/642310669.db2.gz DLTJVIMHMVWZSZ-TXEJJXNPSA-N 1 0 238.331 0.836 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000971183277 642317243 /nfs/dbraw/zinc/31/72/43/642317243.db2.gz CQKSZFNNVUZBHG-NSHDSACASA-N 1 0 246.314 0.200 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000971241904 642329710 /nfs/dbraw/zinc/32/97/10/642329710.db2.gz LETMJXHMARNXIZ-GFCCVEGCSA-N 1 0 247.298 0.383 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2cscn2)C1 ZINC001031581250 642334965 /nfs/dbraw/zinc/33/49/65/642334965.db2.gz NTZFXUGLXYLEBV-UHFFFAOYSA-N 1 0 249.339 0.828 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001021806938 642353415 /nfs/dbraw/zinc/35/34/15/642353415.db2.gz WIASNZAKYKXSOV-DTORHVGOSA-N 1 0 248.286 0.219 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000306945217 642354267 /nfs/dbraw/zinc/35/42/67/642354267.db2.gz KGVVRXOEMRAWBL-SSDOTTSWSA-N 1 0 202.685 0.853 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000847017978 642385537 /nfs/dbraw/zinc/38/55/37/642385537.db2.gz GMOGUWKPXKCACT-QWRGUYRKSA-N 1 0 249.314 0.272 20 30 BCEDRO CC#CCN1CC(CNC(=O)c2cn(C)cn2)C1 ZINC001031615515 642388738 /nfs/dbraw/zinc/38/87/38/642388738.db2.gz PTWCNUYCENCITK-UHFFFAOYSA-N 1 0 246.314 0.105 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)c2C)C1 ZINC001021843077 642400499 /nfs/dbraw/zinc/40/04/99/642400499.db2.gz WSSXUTALAVBIAH-PHIMTYICSA-N 1 0 246.314 0.212 20 30 BCEDRO C=CCCCC[NH2+]CCS(C)(=O)=O ZINC000308137916 642406264 /nfs/dbraw/zinc/40/62/64/642406264.db2.gz JKHNKTPQDMAOMC-UHFFFAOYSA-N 1 0 205.323 0.977 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001021851830 642407880 /nfs/dbraw/zinc/40/78/80/642407880.db2.gz HPYHVYRPCRPKTI-SDDRHHMPSA-N 1 0 246.314 0.314 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001021905116 642453967 /nfs/dbraw/zinc/45/39/67/642453967.db2.gz MRLJTUWFUNJERE-PHIMTYICSA-N 1 0 246.314 0.510 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnccc2C)C1 ZINC001021922807 642458057 /nfs/dbraw/zinc/45/80/57/642458057.db2.gz IRQGEESZWUHSBF-TXEJJXNPSA-N 1 0 243.310 0.874 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cnn(CC)n2)C1 ZINC001031653841 642468054 /nfs/dbraw/zinc/46/80/54/642468054.db2.gz SLNSIUSGONGCLB-UHFFFAOYSA-N 1 0 249.318 0.146 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000971451604 642472493 /nfs/dbraw/zinc/47/24/93/642472493.db2.gz LXLBCKKYXZVPEE-SNVBAGLBSA-N 1 0 249.318 0.147 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001021983860 642479898 /nfs/dbraw/zinc/47/98/98/642479898.db2.gz HWPMGVZTILRPOB-PHIMTYICSA-N 1 0 242.282 0.370 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)[C@H]2CC2(F)F)C1 ZINC001031657168 642482319 /nfs/dbraw/zinc/48/23/19/642482319.db2.gz OHYAIZVZUHYZHU-SNVBAGLBSA-N 1 0 242.269 0.713 20 30 BCEDRO NC(=[NH2+])NN=Cc1cn2cc(Cl)ccc2n1 ZINC000920375835 642484030 /nfs/dbraw/zinc/48/40/30/642484030.db2.gz PCWUKDGGOZVFNP-UHFFFAOYSA-N 1 0 236.666 0.805 20 30 BCEDRO C#CCC1([NH2+]CCN2CCOC2=O)CCC1 ZINC000933292639 642487561 /nfs/dbraw/zinc/48/75/61/642487561.db2.gz CIBUDALIMVJJIU-UHFFFAOYSA-N 1 0 222.288 0.974 20 30 BCEDRO C#CCC1([NH2+]CCN2CCOCC2)CCC1 ZINC000933295608 642499060 /nfs/dbraw/zinc/49/90/60/642499060.db2.gz WHDLWGDYBQJRAN-UHFFFAOYSA-N 1 0 222.332 0.854 20 30 BCEDRO C#CCC1([NH2+]CCN2C(=O)CN(C)C2=O)CCC1 ZINC000933295731 642500150 /nfs/dbraw/zinc/50/01/50/642500150.db2.gz WUCWAYFYCHSHPI-UHFFFAOYSA-N 1 0 249.314 0.416 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000920754870 642544110 /nfs/dbraw/zinc/54/41/10/642544110.db2.gz HSACFISCUVHUIF-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCCOC(=O)NC1CC[NH+](CC#C)CC1 ZINC000921437179 642623113 /nfs/dbraw/zinc/62/31/13/642623113.db2.gz ORMYDSATAQSVSL-UHFFFAOYSA-N 1 0 234.299 0.834 20 30 BCEDRO CCN(CC)C(=[NH2+])NC[C@@H]1CCCS1(=O)=O ZINC000305074426 642633767 /nfs/dbraw/zinc/63/37/67/642633767.db2.gz MXUGMLKMRUMPJB-VIFPVBQESA-N 1 0 247.364 0.220 20 30 BCEDRO CCCCNC(=[NH2+])NC[C@@H]1CCCS1(=O)=O ZINC000305061702 642635384 /nfs/dbraw/zinc/63/53/84/642635384.db2.gz GLEPXUSLJPBYDQ-VIFPVBQESA-N 1 0 247.364 0.268 20 30 BCEDRO CC(=O)NCCNC(=[NH2+])N1CCCCCC1 ZINC000305075241 642635590 /nfs/dbraw/zinc/63/55/90/642635590.db2.gz QDTDQHWETRMLEM-UHFFFAOYSA-N 1 0 226.324 0.313 20 30 BCEDRO CCNC(=O)C(C)(C)CNC(NCC)=[NH+]CC ZINC000305179634 642646014 /nfs/dbraw/zinc/64/60/14/642646014.db2.gz HBSMBNVZOZNCAJ-UHFFFAOYSA-N 1 0 242.367 0.724 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H](C)SC ZINC000305224380 642646609 /nfs/dbraw/zinc/64/66/09/642646609.db2.gz XREZZIHPJBGFSV-SSDOTTSWSA-N 1 0 205.327 0.289 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CC1 ZINC000960046124 642657235 /nfs/dbraw/zinc/65/72/35/642657235.db2.gz JIQREACHLPABFC-URLYPYJESA-N 1 0 218.300 0.466 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]n1 ZINC000960719430 642669379 /nfs/dbraw/zinc/66/93/79/642669379.db2.gz FBPQRIUQSPEEQD-JZYVYDRUSA-N 1 0 247.302 0.041 20 30 BCEDRO COCCNC(=[NH2+])NCc1cncc(C)c1 ZINC000305674185 642674326 /nfs/dbraw/zinc/67/43/26/642674326.db2.gz YVQQHFNIPYRVJE-UHFFFAOYSA-N 1 0 222.292 0.441 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C ZINC000961509756 642692906 /nfs/dbraw/zinc/69/29/06/642692906.db2.gz ZFILAJRWJKSJFL-JZRPKSSGSA-N 1 0 232.327 0.712 20 30 BCEDRO NC(C[NH+]1CCCCCC1)=NOCCCO ZINC000305769123 642693452 /nfs/dbraw/zinc/69/34/52/642693452.db2.gz GLLRHECAOKEBHC-UHFFFAOYSA-N 1 0 229.324 0.534 20 30 BCEDRO CCN(CCNC(=[NH2+])N(C)C1CC1)C1CC1 ZINC000305833323 642703344 /nfs/dbraw/zinc/70/33/44/642703344.db2.gz VNYLVFWDGJLKNX-UHFFFAOYSA-N 1 0 224.352 0.880 20 30 BCEDRO CC(C)NC(=O)CCNC(=[NH2+])N(C)C1CC1 ZINC000305833475 642704461 /nfs/dbraw/zinc/70/44/61/642704461.db2.gz VQDWMQUUAAGLDT-UHFFFAOYSA-N 1 0 226.324 0.310 20 30 BCEDRO CCCCNC(=[NH2+])NCCC1(C)OCCO1 ZINC000305838629 642705877 /nfs/dbraw/zinc/70/58/77/642705877.db2.gz YEDGNQSXWUCONL-UHFFFAOYSA-N 1 0 229.324 0.844 20 30 BCEDRO C[NH+]=C(NCCc1ccnn1C)NC1CC1 ZINC000305856962 642708750 /nfs/dbraw/zinc/70/87/50/642708750.db2.gz KRFGROFIOIXVNN-UHFFFAOYSA-N 1 0 221.308 0.290 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCc1ccnn1C ZINC000305858859 642709518 /nfs/dbraw/zinc/70/95/18/642709518.db2.gz LWYVZLIDGSZWAD-UHFFFAOYSA-N 1 0 223.324 0.619 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCc1ccnn1C ZINC000305847465 642709529 /nfs/dbraw/zinc/70/95/29/642709529.db2.gz DDDRYKHYJNMUTA-UHFFFAOYSA-N 1 0 221.308 0.443 20 30 BCEDRO COCCNC(=[NH2+])NCC[C@H]1CCCCO1 ZINC000305878457 642710283 /nfs/dbraw/zinc/71/02/83/642710283.db2.gz SOLGYIAXHFFWTG-SNVBAGLBSA-N 1 0 229.324 0.496 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC12CCC2 ZINC000961901017 642711338 /nfs/dbraw/zinc/71/13/38/642711338.db2.gz ACKMZVPTYWBSPY-QNWHQSFQSA-N 1 0 244.338 0.856 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nccs1 ZINC000962137360 642717540 /nfs/dbraw/zinc/71/75/40/642717540.db2.gz YPIABXVSXXFKOU-MYJAWHEDSA-N 1 0 247.323 0.436 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](C)[C@H](NC(C)=O)C1 ZINC000964579008 642756301 /nfs/dbraw/zinc/75/63/01/642756301.db2.gz TTYYDLQXOUJEOI-ZYHUDNBSSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C)nn2C)C1 ZINC000967412943 642800340 /nfs/dbraw/zinc/80/03/40/642800340.db2.gz UTXAQZVVEHMYBM-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000967942768 642805139 /nfs/dbraw/zinc/80/51/39/642805139.db2.gz GEAYZWFEEUHTFI-MWLCHTKSSA-N 1 0 221.304 0.747 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000968178473 642806850 /nfs/dbraw/zinc/80/68/50/642806850.db2.gz ZETCJNAHEARIET-VXGBXAGGSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2oc(C)nc2C)C1 ZINC000968301507 642807126 /nfs/dbraw/zinc/80/71/26/642807126.db2.gz JSFHVFOKSCFJHC-LLVKDONJSA-N 1 0 247.298 0.729 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC000968380840 642809953 /nfs/dbraw/zinc/80/99/53/642809953.db2.gz TUWCPJITNARGRU-LLVKDONJSA-N 1 0 245.282 0.225 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](C)[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC000968426224 642810204 /nfs/dbraw/zinc/81/02/04/642810204.db2.gz CPDZJYJZYUKIQY-ZJUUUORDSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2coc(CC)n2)C1 ZINC000968459639 642810453 /nfs/dbraw/zinc/81/04/53/642810453.db2.gz KINPKIYZKVZHBA-SNVBAGLBSA-N 1 0 247.298 0.674 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)n2cccc2)C1 ZINC000968434967 642811511 /nfs/dbraw/zinc/81/15/11/642811511.db2.gz ANAOSHGVBSCSBY-QWHCGFSZSA-N 1 0 245.326 0.873 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](C)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC000968426221 642811523 /nfs/dbraw/zinc/81/15/23/642811523.db2.gz CPDZJYJZYUKIQY-NXEZZACHSA-N 1 0 249.318 0.431 20 30 BCEDRO CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000968466607 642811758 /nfs/dbraw/zinc/81/17/58/642811758.db2.gz DVDGZTQHCPMXLX-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C)sn2)C1 ZINC000968516224 642812798 /nfs/dbraw/zinc/81/27/98/642812798.db2.gz WSPRYQSPQRUJOR-SNVBAGLBSA-N 1 0 249.339 0.889 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC000968475620 642813409 /nfs/dbraw/zinc/81/34/09/642813409.db2.gz RSRFABZSXFIRLK-LLVKDONJSA-N 1 0 232.287 0.467 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nccc(C)n2)C1 ZINC000968534929 642813470 /nfs/dbraw/zinc/81/34/70/642813470.db2.gz QOAGKSMQXRNPOX-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnnn2CC)C1 ZINC000968586581 642814638 /nfs/dbraw/zinc/81/46/38/642814638.db2.gz QYSKBQOQENDJQX-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccncc2C)C1 ZINC000968592418 642815818 /nfs/dbraw/zinc/81/58/18/642815818.db2.gz HLYLTOKLRJFEKS-GFCCVEGCSA-N 1 0 243.310 0.827 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2nnc(C)[nH]2)C1 ZINC000968629735 642815865 /nfs/dbraw/zinc/81/58/65/642815865.db2.gz ISDHLFMBBFJSCT-SNVBAGLBSA-N 1 0 249.318 0.032 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C)nn2)C1 ZINC000968633826 642816081 /nfs/dbraw/zinc/81/60/81/642816081.db2.gz HJQNMUBAIACVDV-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO CC[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000968613376 642816096 /nfs/dbraw/zinc/81/60/96/642816096.db2.gz GOOMGJVRBMFQTC-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000968629798 642816351 /nfs/dbraw/zinc/81/63/51/642816351.db2.gz KRLUABHTQGIYED-LLVKDONJSA-N 1 0 238.331 0.668 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000968624895 642816408 /nfs/dbraw/zinc/81/64/08/642816408.db2.gz CTHHLYLMVHKWHR-GFCCVEGCSA-N 1 0 218.300 0.776 20 30 BCEDRO CC#CCN1CC(CNC(=O)c2ccsn2)C1 ZINC001031761447 642818778 /nfs/dbraw/zinc/81/87/78/642818778.db2.gz NLAVCINGFJUOOJ-UHFFFAOYSA-N 1 0 249.339 0.828 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2ccon2)C1 ZINC001006957579 642824580 /nfs/dbraw/zinc/82/45/80/642824580.db2.gz IPNMFLFTCNNZQY-LBPRGKRZSA-N 1 0 249.314 0.984 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001006975193 642824650 /nfs/dbraw/zinc/82/46/50/642824650.db2.gz GAXZEUSFPIYLQG-GFCCVEGCSA-N 1 0 248.330 0.719 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccccn2)C1 ZINC001009901223 642846469 /nfs/dbraw/zinc/84/64/69/642846469.db2.gz JSKFCCIFWCFQOW-GFCCVEGCSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cccnc2)C1 ZINC001009912766 642847488 /nfs/dbraw/zinc/84/74/88/642847488.db2.gz FVSUDSWOQKNLES-ZDUSSCGKSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001010246611 642854886 /nfs/dbraw/zinc/85/48/86/642854886.db2.gz DFQLVCCEFZASAH-NEPJUHHUSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C ZINC000939188496 642856809 /nfs/dbraw/zinc/85/68/09/642856809.db2.gz MYTAHAFKOUTQKC-ZYHUDNBSSA-N 1 0 246.314 0.713 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001010254842 642857039 /nfs/dbraw/zinc/85/70/39/642857039.db2.gz CFNJPYGHDVEFDF-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccon2)C1 ZINC001010329311 642857128 /nfs/dbraw/zinc/85/71/28/642857128.db2.gz ANEIREBJFFNOMF-JTQLQIEISA-N 1 0 233.271 0.502 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001010305466 642857991 /nfs/dbraw/zinc/85/79/91/642857991.db2.gz WXRGBCGYSLSYIZ-LLVKDONJSA-N 1 0 232.287 0.237 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001010333058 642860424 /nfs/dbraw/zinc/86/04/24/642860424.db2.gz DRURXTGSJSCRNB-LBPRGKRZSA-N 1 0 248.330 0.568 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccnn2C)C1 ZINC001010364487 642861059 /nfs/dbraw/zinc/86/10/59/642861059.db2.gz LIVIKIQDFACSBZ-SNVBAGLBSA-N 1 0 234.303 0.410 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001010385672 642862447 /nfs/dbraw/zinc/86/24/47/642862447.db2.gz POKQBVASUCNETK-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C ZINC000939342406 642865304 /nfs/dbraw/zinc/86/53/04/642865304.db2.gz KMPHVSQXCRTNST-ZYHUDNBSSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccncn2)C[C@H]1C ZINC000939340370 642865504 /nfs/dbraw/zinc/86/55/04/642865504.db2.gz AQBHHOSGYLDTEK-ZYHUDNBSSA-N 1 0 244.298 0.160 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccco2)C[C@H]1C ZINC000939361650 642866936 /nfs/dbraw/zinc/86/69/36/642866936.db2.gz IFRMIXUTOZWQRC-DGCLKSJQSA-N 1 0 246.310 0.892 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2ncccc2O)C1 ZINC001010722852 642871672 /nfs/dbraw/zinc/87/16/72/642871672.db2.gz VOBQQQDWUFENND-JTQLQIEISA-N 1 0 247.298 0.777 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC001014357525 642885849 /nfs/dbraw/zinc/88/58/49/642885849.db2.gz PGQJXSVYUODESY-SNVBAGLBSA-N 1 0 234.303 0.708 20 30 BCEDRO COc1ccc(C(C)=NNC(N)=[NH2+])cc1 ZINC000252448071 642888508 /nfs/dbraw/zinc/88/85/08/642888508.db2.gz RPUXAQMCVDQBJN-UHFFFAOYSA-N 1 0 206.249 0.902 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001014373231 642888746 /nfs/dbraw/zinc/88/87/46/642888746.db2.gz OBRHYYYVNUUQDA-SECBINFHSA-N 1 0 220.276 0.400 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccc(C)nn2)C1 ZINC001014406405 642889344 /nfs/dbraw/zinc/88/93/44/642889344.db2.gz JLAFIFYEYBNSBA-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO C#CCN1CC[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001014708981 642893609 /nfs/dbraw/zinc/89/36/09/642893609.db2.gz ZFPXZEDHMJTYJY-NSHDSACASA-N 1 0 247.298 0.349 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C)[C@H](C)C1 ZINC000252727669 642894428 /nfs/dbraw/zinc/89/44/28/642894428.db2.gz MAZJUKZAFNBYCW-WDEREUQCSA-N 1 0 208.305 0.714 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cncn2C)C1 ZINC001015134813 642897410 /nfs/dbraw/zinc/89/74/10/642897410.db2.gz CJKHUWCPOCFGOT-JTQLQIEISA-N 1 0 234.303 0.410 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cn2cncc2C)C1 ZINC001015286106 642898708 /nfs/dbraw/zinc/89/87/08/642898708.db2.gz MTKQXQMSACYVNO-LBPRGKRZSA-N 1 0 248.330 0.568 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015563739 642907062 /nfs/dbraw/zinc/90/70/62/642907062.db2.gz BKVIHFSYYKGVHR-NDBYEHHHSA-N 1 0 248.326 0.093 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC001015616261 642911922 /nfs/dbraw/zinc/91/19/22/642911922.db2.gz QWXFJPZCPXJHHU-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2conc2C)C1 ZINC001015645588 642918000 /nfs/dbraw/zinc/91/80/00/642918000.db2.gz JFMKXMONRLFXOT-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C=C1CC(C)(C(=O)N[C@H]2CC[N@H+](CCO)C2)C1 ZINC001015671772 642919329 /nfs/dbraw/zinc/91/93/29/642919329.db2.gz DKHOHMAJKDTEHL-NSHDSACASA-N 1 0 238.331 0.526 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001015760907 642930756 /nfs/dbraw/zinc/93/07/56/642930756.db2.gz AYYISDNEDRJGLK-SNVBAGLBSA-N 1 0 234.303 0.329 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccnnc2)C1 ZINC001015749393 642931442 /nfs/dbraw/zinc/93/14/42/642931442.db2.gz DOPOIJGSAUFIFI-GFCCVEGCSA-N 1 0 244.298 0.304 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccncn2)C1 ZINC001015874147 642938715 /nfs/dbraw/zinc/93/87/15/642938715.db2.gz SCLKMCBXPKBIAI-JTQLQIEISA-N 1 0 232.287 0.467 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015968366 642941844 /nfs/dbraw/zinc/94/18/44/642941844.db2.gz WWRINAWDEZTPDG-JTQLQIEISA-N 1 0 249.318 0.114 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015968367 642944172 /nfs/dbraw/zinc/94/41/72/642944172.db2.gz WWRINAWDEZTPDG-SNVBAGLBSA-N 1 0 249.318 0.114 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925337847 642959349 /nfs/dbraw/zinc/95/93/49/642959349.db2.gz YFHVNTHNVDGVSA-NXEZZACHSA-N 1 0 209.293 0.354 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925337867 642960644 /nfs/dbraw/zinc/96/06/44/642960644.db2.gz YJDFOYKSPPBFEW-WDEREUQCSA-N 1 0 223.320 0.744 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cnco2)C1 ZINC001031884407 642976203 /nfs/dbraw/zinc/97/62/03/642976203.db2.gz WQDFRVBEJDBCGY-UHFFFAOYSA-N 1 0 235.287 0.912 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(F)F)C1 ZINC001018382786 642985659 /nfs/dbraw/zinc/98/56/59/642985659.db2.gz QUZYBLYTUCWKDF-ZETCQYMHSA-N 1 0 202.204 0.075 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001018504615 642997862 /nfs/dbraw/zinc/99/78/62/642997862.db2.gz SVLIJMMRMXURBD-LBPRGKRZSA-N 1 0 248.330 0.650 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001018540849 642998094 /nfs/dbraw/zinc/99/80/94/642998094.db2.gz HBANIWDFYFMNMX-JTQLQIEISA-N 1 0 234.303 0.790 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC001018580409 643000094 /nfs/dbraw/zinc/00/00/94/643000094.db2.gz WJEGJVSFGHQFRF-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC001018607319 643002562 /nfs/dbraw/zinc/00/25/62/643002562.db2.gz OXZMSJPQTGLOID-LBPRGKRZSA-N 1 0 248.330 0.339 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001018631520 643003595 /nfs/dbraw/zinc/00/35/95/643003595.db2.gz GEAYZWFEEUHTFI-KOLCDFICSA-N 1 0 221.304 0.747 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncoc2CC)C1 ZINC001018649857 643006393 /nfs/dbraw/zinc/00/63/93/643006393.db2.gz FKKQIENWBQPTBP-JTQLQIEISA-N 1 0 247.298 0.674 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2oc(C)nc2C)C1 ZINC001018664929 643006793 /nfs/dbraw/zinc/00/67/93/643006793.db2.gz JSFHVFOKSCFJHC-NSHDSACASA-N 1 0 247.298 0.729 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)SC)C1 ZINC001018723269 643008371 /nfs/dbraw/zinc/00/83/71/643008371.db2.gz JJFFPCJRYVUHBA-QWRGUYRKSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC001018817217 643012436 /nfs/dbraw/zinc/01/24/36/643012436.db2.gz KJKCPSQQCSKDIU-IUCAKERBSA-N 1 0 228.242 0.465 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]c2)C1 ZINC001018895402 643013331 /nfs/dbraw/zinc/01/33/31/643013331.db2.gz OGNAIBFTGKLWAM-NSHDSACASA-N 1 0 217.272 0.452 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@H]([NH2+]CCF)C1 ZINC001018826852 643014708 /nfs/dbraw/zinc/01/47/08/643014708.db2.gz MBEKTGKVPUOLJZ-NSHDSACASA-N 1 0 224.279 0.560 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC001019002260 643015891 /nfs/dbraw/zinc/01/58/91/643015891.db2.gz OPSBRWKZGBWZDQ-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC001019077451 643019271 /nfs/dbraw/zinc/01/92/71/643019271.db2.gz PFKYNDZJEMYBQK-JTQLQIEISA-N 1 0 248.330 0.962 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001019224870 643023584 /nfs/dbraw/zinc/02/35/84/643023584.db2.gz HNTIYWVYZJHBMB-JTQLQIEISA-N 1 0 249.318 0.493 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2ccc(C)n2)C1 ZINC001019400026 643029611 /nfs/dbraw/zinc/02/96/11/643029611.db2.gz IEHZAVQDHMILCT-LBPRGKRZSA-N 1 0 246.314 0.015 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2nccc2C)C1 ZINC001019448706 643033200 /nfs/dbraw/zinc/03/32/00/643033200.db2.gz KWXCROFSBOBPKA-LBPRGKRZSA-N 1 0 248.330 0.568 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001019564379 643040291 /nfs/dbraw/zinc/04/02/91/643040291.db2.gz MPQYSPLEJUHZHQ-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(CC)cn2)C1 ZINC001019663493 643040631 /nfs/dbraw/zinc/04/06/31/643040631.db2.gz JFHVSBWVKXVEOC-NSHDSACASA-N 1 0 248.330 0.893 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC001019889874 643043243 /nfs/dbraw/zinc/04/32/43/643043243.db2.gz GSCCLVUJQLKZMN-JTQLQIEISA-N 1 0 232.287 0.155 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001019867924 643043287 /nfs/dbraw/zinc/04/32/87/643043287.db2.gz QRQJLLKSOMZVHQ-LBPRGKRZSA-N 1 0 248.330 0.650 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001019988020 643050992 /nfs/dbraw/zinc/05/09/92/643050992.db2.gz RWFYHBUHHVFTHV-XYPYZODXSA-N 1 0 234.303 0.306 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001020008774 643051637 /nfs/dbraw/zinc/05/16/37/643051637.db2.gz DWBYQLSGIDYZOM-MGCOHNPYSA-N 1 0 232.287 0.202 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2oc(C)nc2C)C1 ZINC001020047288 643051929 /nfs/dbraw/zinc/05/19/29/643051929.db2.gz FTOJUQYHYGGDOA-XYPYZODXSA-N 1 0 247.298 0.775 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC001020011579 643053511 /nfs/dbraw/zinc/05/35/11/643053511.db2.gz BLBZUGOCGBSUFC-XYPYZODXSA-N 1 0 246.314 0.212 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001020078697 643055724 /nfs/dbraw/zinc/05/57/24/643055724.db2.gz YWPXNLMTFFSQFK-AVGNSLFASA-N 1 0 245.326 0.919 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001020061209 643056420 /nfs/dbraw/zinc/05/64/20/643056420.db2.gz ZLOMAQGNOAIMSC-XYPYZODXSA-N 1 0 247.298 0.824 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccnn2CC)C1 ZINC001020098514 643058358 /nfs/dbraw/zinc/05/83/58/643058358.db2.gz QWLQITVEZCUYRA-XYPYZODXSA-N 1 0 246.314 0.387 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001020133017 643061103 /nfs/dbraw/zinc/06/11/03/643061103.db2.gz BPVKNPJMCANEEF-KYZUINATSA-N 1 0 220.276 0.446 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccsn2)C1 ZINC001020278605 643065050 /nfs/dbraw/zinc/06/50/50/643065050.db2.gz KMYQLRVEKNLDPC-KYZUINATSA-N 1 0 235.312 0.627 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCC2(F)F)C1 ZINC001020277856 643066089 /nfs/dbraw/zinc/06/60/89/643066089.db2.gz VCPPWJANOMHKPB-OPRDCNLKSA-N 1 0 242.269 0.902 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000969175505 643093850 /nfs/dbraw/zinc/09/38/50/643093850.db2.gz QWFZIQMPTQROQY-SECBINFHSA-N 1 0 235.291 0.185 20 30 BCEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)C2CC2)C1 ZINC000969182599 643100978 /nfs/dbraw/zinc/10/09/78/643100978.db2.gz DSMYHXVRZOYQDP-SNVBAGLBSA-N 1 0 220.316 0.856 20 30 BCEDRO C#Cc1cncc(C(=O)NCC2C[NH+](CC)C2)c1 ZINC001031963330 643111151 /nfs/dbraw/zinc/11/11/51/643111151.db2.gz KAPPGHLINJCXTN-UHFFFAOYSA-N 1 0 243.310 0.744 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1cc(C#N)ccc1F ZINC000071273084 643113035 /nfs/dbraw/zinc/11/30/35/643113035.db2.gz SQSUNLBTMOABAL-LLVKDONJSA-N 1 0 238.262 0.794 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cnccn2)C1 ZINC000969229825 643116089 /nfs/dbraw/zinc/11/60/89/643116089.db2.gz BTJPCCXGWZAMPP-JTQLQIEISA-N 1 0 246.314 0.713 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccon2)C1 ZINC000969330286 643142169 /nfs/dbraw/zinc/14/21/69/643142169.db2.gz OOUUSERLYCCKBP-SECBINFHSA-N 1 0 235.287 0.911 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2ccn[nH]2)C1 ZINC000969330269 643143111 /nfs/dbraw/zinc/14/31/11/643143111.db2.gz OHEMGJKAYYFNGT-VIFPVBQESA-N 1 0 234.303 0.646 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@@H](C)C1 ZINC000941849947 643145193 /nfs/dbraw/zinc/14/51/93/643145193.db2.gz KKXPETCWQMYCLE-JQWIXIFHSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@H](C)C1 ZINC000942036595 643156874 /nfs/dbraw/zinc/15/68/74/643156874.db2.gz HRZIEGWNIJOAQY-MNOVXSKESA-N 1 0 246.314 0.483 20 30 BCEDRO CC[NH+]=C(NC[C@@]1(O)CCSC1)NC1CC1 ZINC000080895364 643168726 /nfs/dbraw/zinc/16/87/26/643168726.db2.gz OXPLKKAFTPWOCN-NSHDSACASA-N 1 0 243.376 0.572 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2conc2C)C1 ZINC001020537944 643173466 /nfs/dbraw/zinc/17/34/66/643173466.db2.gz NUSCVTQVTIYBHL-MGCOHNPYSA-N 1 0 233.271 0.467 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000969533457 643186432 /nfs/dbraw/zinc/18/64/32/643186432.db2.gz DAZYEEIXXLHJNP-SNVBAGLBSA-N 1 0 234.303 0.708 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cncnc2)C1 ZINC000969539173 643188882 /nfs/dbraw/zinc/18/88/82/643188882.db2.gz NEOBYEJXQQKHBA-SNVBAGLBSA-N 1 0 246.314 0.713 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2ncn(C)n2)C1 ZINC000969594278 643195134 /nfs/dbraw/zinc/19/51/34/643195134.db2.gz JYMDYCQCHUOAKA-VIFPVBQESA-N 1 0 249.318 0.051 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)COCCOC)C(C)C ZINC000932388001 643205701 /nfs/dbraw/zinc/20/57/01/643205701.db2.gz QMOFTFXHYCZJHS-LBPRGKRZSA-N 1 0 229.320 0.354 20 30 BCEDRO CN(C(=[NH2+])NCC1(CO)CCCC1)C1CC1 ZINC000184657157 643226869 /nfs/dbraw/zinc/22/68/69/643226869.db2.gz NCPZJUBVDKCTLV-UHFFFAOYSA-N 1 0 225.336 0.948 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CCO[C@H]2C)C1 ZINC001032076125 643236566 /nfs/dbraw/zinc/23/65/66/643236566.db2.gz LLWZMMYWDHOJPS-JQWIXIFHSA-N 1 0 238.331 0.645 20 30 BCEDRO CNC(NC[C@H](O)c1ccsc1)=[NH+]C ZINC000306790327 643247445 /nfs/dbraw/zinc/24/74/45/643247445.db2.gz VKUXUVFGGOWNIY-QMMMGPOBSA-N 1 0 213.306 0.576 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2oncc2C)C1 ZINC001032098595 643253568 /nfs/dbraw/zinc/25/35/68/643253568.db2.gz UASKOMUIHNIUMN-UHFFFAOYSA-N 1 0 247.298 0.668 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@H](C)C1 ZINC000943715724 643254882 /nfs/dbraw/zinc/25/48/82/643254882.db2.gz ABTUPWBYYDRSNK-ZJUUUORDSA-N 1 0 248.286 0.143 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]CC)C1 ZINC000970016562 643266295 /nfs/dbraw/zinc/26/62/95/643266295.db2.gz BVIXBKPJOHYYDQ-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCC[NH+]1CC([C@@H](C)NC(=O)c2cn[nH]n2)C1 ZINC000970034589 643270774 /nfs/dbraw/zinc/27/07/74/643270774.db2.gz HPGRDADAJZSIIZ-SECBINFHSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CCCC[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000185525448 643326886 /nfs/dbraw/zinc/32/68/86/643326886.db2.gz HKOMDQLVLUCCRX-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2[nH]cnc2C)C1 ZINC001032230504 643372295 /nfs/dbraw/zinc/37/22/95/643372295.db2.gz BWDFRNCRJSWRQL-UHFFFAOYSA-N 1 0 246.314 0.403 20 30 BCEDRO CS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185799422 643388383 /nfs/dbraw/zinc/38/83/83/643388383.db2.gz INKHXPKHYCPUMO-VHSXEESVSA-N 1 0 230.333 0.703 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2c[nH]nc2C)C1 ZINC000970241003 643403592 /nfs/dbraw/zinc/40/35/92/643403592.db2.gz YKXTVDHFPKORFZ-SECBINFHSA-N 1 0 248.330 0.954 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001021126889 643404744 /nfs/dbraw/zinc/40/47/44/643404744.db2.gz AMLCYDSVCLPFDG-XYPYZODXSA-N 1 0 234.303 0.306 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnon2)C1 ZINC000970301625 643411304 /nfs/dbraw/zinc/41/13/04/643411304.db2.gz RGABXBIXEMFIEA-MRVPVSSYSA-N 1 0 222.248 0.060 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCCO1 ZINC001032266926 643417370 /nfs/dbraw/zinc/41/73/70/643417370.db2.gz YDLHPDRFOZLBQG-AVGNSLFASA-N 1 0 248.326 0.474 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000186007281 643423479 /nfs/dbraw/zinc/42/34/79/643423479.db2.gz NDUDRGNFQRBHGF-QWRGUYRKSA-N 1 0 223.320 0.649 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(CC)on2)C1 ZINC000970514260 643453049 /nfs/dbraw/zinc/45/30/49/643453049.db2.gz DUFOJXCDJPPSQR-SNVBAGLBSA-N 1 0 247.298 0.674 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cnco2)CC1(C)C ZINC000996098876 643460337 /nfs/dbraw/zinc/46/03/37/643460337.db2.gz JQDPLTJGBIODFI-NSHDSACASA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC000970592610 643475217 /nfs/dbraw/zinc/47/52/17/643475217.db2.gz OPLYXPHIAVMEMQ-SNVBAGLBSA-N 1 0 246.314 0.409 20 30 BCEDRO C#CCOCCC(=O)NC1CC[NH+](CC)CC1 ZINC000160336245 643488036 /nfs/dbraw/zinc/48/80/36/643488036.db2.gz IANWMSCOTXQLEE-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cccnn2)C1 ZINC000970635502 643488695 /nfs/dbraw/zinc/48/86/95/643488695.db2.gz ZOXNNIKOIREBDT-JTQLQIEISA-N 1 0 246.314 0.713 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000734285279 643495476 /nfs/dbraw/zinc/49/54/76/643495476.db2.gz HTSDNZFJZAKUHK-SNVBAGLBSA-N 1 0 221.304 0.546 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cncn2C)CC1 ZINC000996777254 643503373 /nfs/dbraw/zinc/50/33/73/643503373.db2.gz XGVKBHOHGVREQL-UHFFFAOYSA-N 1 0 246.314 0.248 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000997056851 643576618 /nfs/dbraw/zinc/57/66/18/643576618.db2.gz YWAVOSWVKGOVNL-UHFFFAOYSA-N 1 0 246.314 0.166 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC(C)(C)C1 ZINC000083522834 643584783 /nfs/dbraw/zinc/58/47/83/643584783.db2.gz AGXPHQUZURMSQO-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C[NH+](C)CC(=O)N[C@H](C#N)C1CCCC1 ZINC000921539822 643592577 /nfs/dbraw/zinc/59/25/77/643592577.db2.gz FKAWRPAOBBMVBN-SNVBAGLBSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)Cn2ccnc2)CC1 ZINC000997413372 643622102 /nfs/dbraw/zinc/62/21/02/643622102.db2.gz PEDNRQKADAACMK-UHFFFAOYSA-N 1 0 248.330 0.650 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CCC2)C1 ZINC000970932798 643623672 /nfs/dbraw/zinc/62/36/72/643623672.db2.gz RVKDRZNDVNZKEY-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO CN1C[C@@H]([NH2+]Cc2csc(C#N)c2)CC1=O ZINC000921641953 643642599 /nfs/dbraw/zinc/64/25/99/643642599.db2.gz DNIUVVMHXCFUSK-VIFPVBQESA-N 1 0 235.312 0.940 20 30 BCEDRO CN1C[C@H]([NH2+]Cc2csc(C#N)c2)CC1=O ZINC000921641951 643643095 /nfs/dbraw/zinc/64/30/95/643643095.db2.gz DNIUVVMHXCFUSK-SECBINFHSA-N 1 0 235.312 0.940 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000998372805 643703550 /nfs/dbraw/zinc/70/35/50/643703550.db2.gz UNOXKWKGQGTMIN-ZDUSSCGKSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)C(C)(F)F)C1 ZINC000998386178 643704243 /nfs/dbraw/zinc/70/42/43/643704243.db2.gz TZJKVWOYTZDLLW-VIFPVBQESA-N 1 0 230.258 0.855 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000921659330 643707476 /nfs/dbraw/zinc/70/74/76/643707476.db2.gz DAGBEZDDJSDYSU-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ccnn2C)C1 ZINC000998522337 643710679 /nfs/dbraw/zinc/71/06/79/643710679.db2.gz FSCALAACRKJENR-UHFFFAOYSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2c[nH]c(C)n2)C1 ZINC000998547033 643712032 /nfs/dbraw/zinc/71/20/32/643712032.db2.gz JDMBYOQZRCHARD-UHFFFAOYSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000998589518 643713975 /nfs/dbraw/zinc/71/39/75/643713975.db2.gz VCLNPEIHROMHKC-SNVBAGLBSA-N 1 0 232.287 0.237 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)SC)C1 ZINC000998594320 643714419 /nfs/dbraw/zinc/71/44/19/643714419.db2.gz USRFAPPHAYZDJB-WDEREUQCSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cncs2)C1 ZINC000998657238 643716599 /nfs/dbraw/zinc/71/65/99/643716599.db2.gz QCIYUVNWBGTDET-SNVBAGLBSA-N 1 0 249.339 0.971 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000998722889 643719151 /nfs/dbraw/zinc/71/91/51/643719151.db2.gz PUQZNYPSWCUPCV-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000998746510 643719875 /nfs/dbraw/zinc/71/98/75/643719875.db2.gz QPLGASBAXCRDLN-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000998746513 643720486 /nfs/dbraw/zinc/72/04/86/643720486.db2.gz QPLGASBAXCRDLN-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC000998747377 643721421 /nfs/dbraw/zinc/72/14/21/643721421.db2.gz RUUIZMKFKHVKIP-QWRGUYRKSA-N 1 0 221.304 0.913 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000999071665 643728801 /nfs/dbraw/zinc/72/88/01/643728801.db2.gz DYQFJNOIWZQIQB-VXGBXAGGSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)c2cn[nH]n2)C1 ZINC000999037899 643728937 /nfs/dbraw/zinc/72/89/37/643728937.db2.gz QBHRFKWQTMBYNL-UHFFFAOYSA-N 1 0 249.318 0.573 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC000999079434 643729157 /nfs/dbraw/zinc/72/91/57/643729157.db2.gz KOBAGSCVHZOEJF-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000999119686 643730118 /nfs/dbraw/zinc/73/01/18/643730118.db2.gz IVQNYACCLPUHQV-SNVBAGLBSA-N 1 0 234.303 0.790 20 30 BCEDRO C=C(C)C[NH2+]C1CC(N(C)C(=O)c2nc[nH]n2)C1 ZINC000999574449 643737982 /nfs/dbraw/zinc/73/79/82/643737982.db2.gz XISQEZMRECRMOO-UHFFFAOYSA-N 1 0 249.318 0.573 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000999583016 643738383 /nfs/dbraw/zinc/73/83/83/643738383.db2.gz YGZFCSMIYXJMAR-SECBINFHSA-N 1 0 235.291 0.185 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2ncccn2)C1 ZINC000999587714 643738514 /nfs/dbraw/zinc/73/85/14/643738514.db2.gz WRHSUVPUDAXBBC-UHFFFAOYSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000999728210 643740180 /nfs/dbraw/zinc/74/01/80/643740180.db2.gz NYMHFDJJVOQNPG-NSHDSACASA-N 1 0 249.289 0.981 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](F)CC)C1 ZINC000999908742 643743596 /nfs/dbraw/zinc/74/35/96/643743596.db2.gz AJOBMAICJDUGLN-QWRGUYRKSA-N 1 0 226.295 0.948 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000320593661 643757510 /nfs/dbraw/zinc/75/75/10/643757510.db2.gz ZPAPNXUSGSNDAK-WDEREUQCSA-N 1 0 247.360 0.480 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001000315858 643776537 /nfs/dbraw/zinc/77/65/37/643776537.db2.gz DJEQOTOJSQDLET-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001000506118 643785897 /nfs/dbraw/zinc/78/58/97/643785897.db2.gz PFNSTQMKQKPWOW-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C#CCCC[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000921793402 643789881 /nfs/dbraw/zinc/78/98/81/643789881.db2.gz IXSJATMXCVDKCU-UHFFFAOYSA-N 1 0 233.315 0.996 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2oncc2C)C1 ZINC001000592189 643791832 /nfs/dbraw/zinc/79/18/32/643791832.db2.gz BCAGRCOFDBKAAN-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C#Cc1ccc(NC(=O)CC[N@H+](C)CCO)cc1 ZINC000929245049 643795947 /nfs/dbraw/zinc/79/59/47/643795947.db2.gz RGOMPEYMTGQDJH-UHFFFAOYSA-N 1 0 246.310 0.921 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2nonc2C)C1 ZINC001001063230 643801753 /nfs/dbraw/zinc/80/17/53/643801753.db2.gz XQDGFFAJPWALKF-JTQLQIEISA-N 1 0 248.286 0.205 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000921869622 643812592 /nfs/dbraw/zinc/81/25/92/643812592.db2.gz DHNAOIBAULFNCL-GHMZBOCLSA-N 1 0 241.335 0.581 20 30 BCEDRO C=CCOCCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000921870778 643813411 /nfs/dbraw/zinc/81/34/11/643813411.db2.gz WPGYCELESDMZHM-JTQLQIEISA-N 1 0 227.308 0.192 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000921881760 643816681 /nfs/dbraw/zinc/81/66/81/643816681.db2.gz VLRFGSNPYUVSKX-UTLUCORTSA-N 1 0 224.308 0.538 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)NCCCC#N)CC[N@@H+]1C ZINC000921905775 643822928 /nfs/dbraw/zinc/82/29/28/643822928.db2.gz HRZWUFLBJBSSIF-ZJUUUORDSA-N 1 0 224.308 0.682 20 30 BCEDRO C#CCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000921934062 643829052 /nfs/dbraw/zinc/82/90/52/643829052.db2.gz RNYFOMGINIQKSO-MNOVXSKESA-N 1 0 239.319 0.028 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000320782743 643840430 /nfs/dbraw/zinc/84/04/30/643840430.db2.gz RPCZTEYKEIBUCG-QJPTWQEYSA-N 1 0 240.347 0.960 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000922139610 643869833 /nfs/dbraw/zinc/86/98/33/643869833.db2.gz DZSRFKPTJFOPHY-BBMNEWJDSA-N 1 0 235.327 0.774 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnn(CCF)c1 ZINC000922140984 643871684 /nfs/dbraw/zinc/87/16/84/643871684.db2.gz OALYRFMLQSJPRR-NSHDSACASA-N 1 0 225.267 0.326 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)C#CC1CC1 ZINC000922155633 643876075 /nfs/dbraw/zinc/87/60/75/643876075.db2.gz DGAAJFRDZLUHNE-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C)Cn2nccc21 ZINC000922208068 643902827 /nfs/dbraw/zinc/90/28/27/643902827.db2.gz YQXQMYAYZADVKM-JTQLQIEISA-N 1 0 248.330 0.984 20 30 BCEDRO N#Cc1cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)cs1 ZINC000922217393 643907374 /nfs/dbraw/zinc/90/73/74/643907374.db2.gz LGYBFBITMDVXJS-DTORHVGOSA-N 1 0 235.312 0.973 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000922340378 643976006 /nfs/dbraw/zinc/97/60/06/643976006.db2.gz DLCPQUFOQXQCQQ-CYBMUJFWSA-N 1 0 245.326 0.974 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@H]1CC[N@@H+]1C)C(C)C ZINC000922520259 644011205 /nfs/dbraw/zinc/01/12/05/644011205.db2.gz KXHJUQKIOZFQQH-GHMZBOCLSA-N 1 0 223.320 0.648 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000922526821 644014532 /nfs/dbraw/zinc/01/45/32/644014532.db2.gz UXNIRQRFXKQRNJ-VHSXEESVSA-N 1 0 209.293 0.402 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1cnn(C)n1 ZINC000321085214 644064104 /nfs/dbraw/zinc/06/41/04/644064104.db2.gz IVSXYOVLLPTFKA-SECBINFHSA-N 1 0 210.281 0.232 20 30 BCEDRO C#CCN(C(=O)NC[C@H](C)[NH+](C)C)C(C)C ZINC000922741907 644083808 /nfs/dbraw/zinc/08/38/08/644083808.db2.gz DZRMUKPFNRELCD-NSHDSACASA-N 1 0 225.336 0.990 20 30 BCEDRO C[C@@H](CNC(=O)N1CCC[C@@H](C#N)C1)[NH+](C)C ZINC000922743601 644086005 /nfs/dbraw/zinc/08/60/05/644086005.db2.gz RFOCISQSKCOKGI-QWRGUYRKSA-N 1 0 238.335 0.882 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)CC#N ZINC000922835455 644113931 /nfs/dbraw/zinc/11/39/31/644113931.db2.gz FTMIYFAYTQMZJL-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO CCCCNC(=[NH2+])N[C@@H]1C[C@H](O)C1(C)C ZINC000186873168 644150828 /nfs/dbraw/zinc/15/08/28/644150828.db2.gz BZFYYTNKZIAAKJ-BDAKNGLRSA-N 1 0 213.325 0.850 20 30 BCEDRO CC1(C)[C@H](O)C[C@H]1NC(=[NH2+])N1CCCCC1 ZINC000186871971 644151255 /nfs/dbraw/zinc/15/12/55/644151255.db2.gz ICOZKXFLNHTBKP-NXEZZACHSA-N 1 0 225.336 0.946 20 30 BCEDRO C#C[C@@H](C)NC(NCc1ccco1)=[NH+]C ZINC000186887739 644151572 /nfs/dbraw/zinc/15/15/72/644151572.db2.gz ZZRSCJOIAVAUFY-SECBINFHSA-N 1 0 205.261 0.966 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)NCC1(C#N)CCC1 ZINC000922921448 644192015 /nfs/dbraw/zinc/19/20/15/644192015.db2.gz GXSZILQDZDLWBL-JTQLQIEISA-N 1 0 236.319 0.684 20 30 BCEDRO CCN(C)C(=O)CNC(=[NH2+])N(CC)CC ZINC000187052041 644200005 /nfs/dbraw/zinc/20/00/05/644200005.db2.gz PCRLDNIKYPMKGH-UHFFFAOYSA-N 1 0 214.313 0.121 20 30 BCEDRO C#CCN(C)C(=O)NCC1([NH+](C)C)CC1 ZINC000922990967 644217844 /nfs/dbraw/zinc/21/78/44/644217844.db2.gz CTKMWVOUMCWEIH-UHFFFAOYSA-N 1 0 209.293 0.355 20 30 BCEDRO C#CCC1([NH2+]Cc2cnnn2C)CCC1 ZINC000922997013 644221405 /nfs/dbraw/zinc/22/14/05/644221405.db2.gz CCOQCHROGZQCAG-UHFFFAOYSA-N 1 0 204.277 0.851 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCCOC(F)F ZINC000193283924 644230873 /nfs/dbraw/zinc/23/08/73/644230873.db2.gz JMCQDUOETKKSJK-SSDOTTSWSA-N 1 0 239.266 0.555 20 30 BCEDRO C=C(C)CONC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000923079891 644263328 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644305145 /nfs/dbraw/zinc/30/51/45/644305145.db2.gz KGCLNNYMORMEBV-DMDPSCGWSA-N 1 0 238.331 0.619 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000923273747 644307372 /nfs/dbraw/zinc/30/73/72/644307372.db2.gz FFUKMUAXPVURFQ-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCC[C@H](O)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000923299031 644325625 /nfs/dbraw/zinc/32/56/25/644325625.db2.gz WIXXVQWUEXPTQY-WOPDTQHZSA-N 1 0 228.336 0.362 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCC(=O)N1CCCCC1 ZINC000194687001 644340076 /nfs/dbraw/zinc/34/00/76/644340076.db2.gz KYDHQCKRRVOBAM-JTQLQIEISA-N 1 0 240.351 0.702 20 30 BCEDRO C#CC[NH2+]CC(=O)N1C[C@@H](C)OC[C@@H]1CC ZINC000082344008 644369594 /nfs/dbraw/zinc/36/95/94/644369594.db2.gz AOZQPBZBGRKREH-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@]12C[C@H]1COC2 ZINC000923359126 644372107 /nfs/dbraw/zinc/37/21/07/644372107.db2.gz MHPQTUQEGMOJER-JQWIXIFHSA-N 1 0 224.304 0.399 20 30 BCEDRO C=C(C)CN1CCN(C(=O)c2cccnn2)CC1 ZINC000952373159 644376644 /nfs/dbraw/zinc/37/66/44/644376644.db2.gz XTOJLOXWTLPXME-UHFFFAOYSA-N 1 0 246.314 0.811 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2OCCN[C@@H]2C1 ZINC000923384768 644395738 /nfs/dbraw/zinc/39/57/38/644395738.db2.gz MNJUUXHLBWOFDH-XQQFMLRXSA-N 1 0 240.347 0.376 20 30 BCEDRO C=CCC[C@H](O)CN(C)CC(C)(C)[NH3+] ZINC000923386054 644398842 /nfs/dbraw/zinc/39/88/42/644398842.db2.gz KPGVKTDOXWDXPC-JTQLQIEISA-N 1 0 200.326 0.983 20 30 BCEDRO C=CCC[C@H](O)CN1CC2CC1(C[NH3+])C2 ZINC000923392013 644399477 /nfs/dbraw/zinc/39/94/77/644399477.db2.gz RMASBTUDYKTDQD-CXQJBGSLSA-N 1 0 210.321 0.737 20 30 BCEDRO C[C@@]1(C#N)CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394821 644401135 /nfs/dbraw/zinc/40/11/35/644401135.db2.gz FZMRIYRQBFMRRA-NEPJUHHUSA-N 1 0 235.331 0.600 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@@H](OC)C[C@]1(C)C[NH3+] ZINC000923410804 644411033 /nfs/dbraw/zinc/41/10/33/644411033.db2.gz JQXNOEZHVCPBAP-RWMBFGLXSA-N 1 0 242.363 0.752 20 30 BCEDRO C=CCNC(=O)CN1[C@H](C)C[NH2+][C@H](C)[C@@H]1C ZINC000923444518 644429666 /nfs/dbraw/zinc/42/96/66/644429666.db2.gz TUXQMSIQRIOMGT-MXWKQRLJSA-N 1 0 225.336 0.359 20 30 BCEDRO C=CCNC(=O)CN1[C@H](C)C[NH2+][C@H](C)[C@H]1C ZINC000923444515 644429846 /nfs/dbraw/zinc/42/98/46/644429846.db2.gz TUXQMSIQRIOMGT-GMTAPVOTSA-N 1 0 225.336 0.359 20 30 BCEDRO N#Cc1ccc(CN2CCC[C@]([NH3+])(CO)C2)cc1 ZINC000923473821 644451800 /nfs/dbraw/zinc/45/18/00/644451800.db2.gz VRVJFVASOCUKGL-CQSZACIVSA-N 1 0 245.326 0.844 20 30 BCEDRO C=CCCCN1CC[NH2+][C@@H]2CS(=O)(=O)C[C@@H]21 ZINC000923523465 644483167 /nfs/dbraw/zinc/48/31/67/644483167.db2.gz RWVQYQBTWNBWRR-MNOVXSKESA-N 1 0 244.360 0.023 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)CCF)C1 ZINC000923551988 644495742 /nfs/dbraw/zinc/49/57/42/644495742.db2.gz RUFKQUMCKBIHEE-SNVBAGLBSA-N 1 0 212.268 0.560 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)CC2(C#N)CC2)C1 ZINC000923559136 644501875 /nfs/dbraw/zinc/50/18/75/644501875.db2.gz GQPLSHBRDHPKOH-GFCCVEGCSA-N 1 0 245.326 0.894 20 30 BCEDRO C=CCONC(=O)N1CCC[N@@H+](C)CC1 ZINC000838701535 644543425 /nfs/dbraw/zinc/54/34/25/644543425.db2.gz BIGIAIMFQUZAIX-UHFFFAOYSA-N 1 0 213.281 0.451 20 30 BCEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CC1 ZINC000749129813 644589720 /nfs/dbraw/zinc/58/97/20/644589720.db2.gz TVUZWWCLEHPEFV-LZTQFINJSA-N 1 0 249.314 0.901 20 30 BCEDRO Cn1cncc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000755813738 644619940 /nfs/dbraw/zinc/61/99/40/644619940.db2.gz HNXLDBPUJJLNOP-GHMZBOCLSA-N 1 0 246.318 0.614 20 30 BCEDRO Cc1cc(C)c(C=NNC2=[NH+]C[C@H](C)N2)[nH]1 ZINC000779797243 644715840 /nfs/dbraw/zinc/71/58/40/644715840.db2.gz CRROXEAQOXGSFK-VIFPVBQESA-N 1 0 219.292 0.903 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cc(O)cc(O)c1 ZINC000779805632 644718038 /nfs/dbraw/zinc/71/80/38/644718038.db2.gz QPWRBGGJTYUSSH-SSDOTTSWSA-N 1 0 248.286 0.759 20 30 BCEDRO C#CCN1CC(N(CC)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000957378576 644723482 /nfs/dbraw/zinc/72/34/82/644723482.db2.gz XCCGPALCJMSIOX-LBPRGKRZSA-N 1 0 249.358 0.104 20 30 BCEDRO C=CCC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957798096 644753974 /nfs/dbraw/zinc/75/39/74/644753974.db2.gz QELGRGFAGWOZOK-RYUDHWBXSA-N 1 0 238.331 0.381 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)F ZINC000958048716 644771770 /nfs/dbraw/zinc/77/17/70/644771770.db2.gz RKDXBAGFECYDNY-URLYPYJESA-N 1 0 238.306 0.804 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCCC1 ZINC000958038724 644771807 /nfs/dbraw/zinc/77/18/07/644771807.db2.gz KYCKJPWHUIRLMP-ITGUQSILSA-N 1 0 232.327 0.856 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(F)F ZINC000958048814 644773793 /nfs/dbraw/zinc/77/37/93/644773793.db2.gz TVEBXCAFSBZETF-BRPSZJMVSA-N 1 0 228.242 0.321 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(F)F ZINC000958062818 644774927 /nfs/dbraw/zinc/77/49/27/644774927.db2.gz PSBIBVFMIQAJAG-MYJAWHEDSA-N 1 0 242.269 0.711 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)on1 ZINC000958169986 644779949 /nfs/dbraw/zinc/77/99/49/644779949.db2.gz UXBHDXYZKAWGHL-IAZYJMLFSA-N 1 0 245.282 0.276 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC000958264488 644783720 /nfs/dbraw/zinc/78/37/20/644783720.db2.gz SOOOFRMNILLXFV-GDNZZTSVSA-N 1 0 220.316 0.712 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC000958298541 644787248 /nfs/dbraw/zinc/78/72/48/644787248.db2.gz SUJAIAKEGODZOW-IAZYJMLFSA-N 1 0 244.298 0.093 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CCC1 ZINC000958479392 644798882 /nfs/dbraw/zinc/79/88/82/644798882.db2.gz OREWZADMYKPJCX-IMRBUKKESA-N 1 0 232.327 0.856 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCCC1 ZINC000958558459 644809184 /nfs/dbraw/zinc/80/91/84/644809184.db2.gz DSLMDNLDLAANNV-ITGUQSILSA-N 1 0 230.311 0.776 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)c1 ZINC000958564981 644810894 /nfs/dbraw/zinc/81/08/94/644810894.db2.gz CMRIENMINYQIDE-ITGUQSILSA-N 1 0 243.310 0.318 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCCO1 ZINC000958581054 644811332 /nfs/dbraw/zinc/81/13/32/644811332.db2.gz VGARMIQMJDYKLT-QNWHQSFQSA-N 1 0 248.326 0.235 20 30 BCEDRO CNC(NC[C@H](C(C)C)N1CCOCC1)=[NH+]C ZINC000303251434 644811670 /nfs/dbraw/zinc/81/16/70/644811670.db2.gz AMOJBPVYAQQMBW-LLVKDONJSA-N 1 0 242.367 0.138 20 30 BCEDRO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC000958795313 644827146 /nfs/dbraw/zinc/82/71/46/644827146.db2.gz KTDRAKOIRHLZSB-URLYPYJESA-N 1 0 246.314 0.646 20 30 BCEDRO COCCCNC(=[NH2+])N1CCSCC1 ZINC000303719962 644841054 /nfs/dbraw/zinc/84/10/54/644841054.db2.gz WHMAFAZXSIDYEM-UHFFFAOYSA-N 1 0 217.338 0.386 20 30 BCEDRO C[C@H](C#N)OCCN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000801940680 644844256 /nfs/dbraw/zinc/84/42/56/644844256.db2.gz PPKLQXMVDVVRIE-IJLUTSLNSA-N 1 0 225.336 0.939 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000801912321 644844824 /nfs/dbraw/zinc/84/48/24/644844824.db2.gz NCGVHILSLPYUIM-QWRGUYRKSA-N 1 0 239.319 0.468 20 30 BCEDRO CC(C)COCCCNC(=[NH2+])N1CCOCC1 ZINC000303783860 644846717 /nfs/dbraw/zinc/84/67/17/644846717.db2.gz OOEVBPPJVHPZRG-UHFFFAOYSA-N 1 0 243.351 0.696 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCCOCCOC ZINC000303778789 644846794 /nfs/dbraw/zinc/84/67/94/644846794.db2.gz JXLWDWGHBFDTPA-UHFFFAOYSA-N 1 0 231.340 0.696 20 30 BCEDRO CCCCNC(=[NH2+])NCCNC(=O)C1CC1 ZINC000303778320 644846813 /nfs/dbraw/zinc/84/68/13/644846813.db2.gz JLXMSSBYGALSFE-UHFFFAOYSA-N 1 0 226.324 0.217 20 30 BCEDRO C[C@H](C#N)OCC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000801926472 644847167 /nfs/dbraw/zinc/84/71/67/644847167.db2.gz RBJLPTJJPLSFEO-SNVBAGLBSA-N 1 0 249.318 0.913 20 30 BCEDRO C[C@H](C[NH+]=C(N(C)C)N(C)C)Cn1cccn1 ZINC000303865008 644850908 /nfs/dbraw/zinc/85/09/08/644850908.db2.gz BMHLELQQLDQHLI-LLVKDONJSA-N 1 0 237.351 0.998 20 30 BCEDRO CC(C)CCOCCNC(=[NH2+])N1CCOCC1 ZINC000303865581 644851519 /nfs/dbraw/zinc/85/15/19/644851519.db2.gz BQKOFYBGAFNBLO-UHFFFAOYSA-N 1 0 243.351 0.696 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc(Br)o1 ZINC000252453478 644853139 /nfs/dbraw/zinc/85/31/39/644853139.db2.gz LJKNLSZWXFREFI-UHFFFAOYSA-N 1 0 231.053 0.859 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCc1cc[nH]n1 ZINC000303874380 644852958 /nfs/dbraw/zinc/85/29/58/644852958.db2.gz HDXSJBDFHZUOEW-UHFFFAOYSA-N 1 0 209.297 0.860 20 30 BCEDRO COc1ccc(C=NNC(N)=[NH2+])c(OC)c1 ZINC000252448677 644853266 /nfs/dbraw/zinc/85/32/66/644853266.db2.gz ZKSKAADKXARYJR-UHFFFAOYSA-N 1 0 222.248 0.521 20 30 BCEDRO CCCCNC(=[NH2+])NCCOCCOC ZINC000303888825 644853959 /nfs/dbraw/zinc/85/39/59/644853959.db2.gz PEZOXTMLHSAXLI-UHFFFAOYSA-N 1 0 217.313 0.354 20 30 BCEDRO CN(C)C(=O)CCNC(=[NH2+])N1CCCCC1 ZINC000303902528 644855911 /nfs/dbraw/zinc/85/59/11/644855911.db2.gz XUYJLBITRSWOSS-UHFFFAOYSA-N 1 0 226.324 0.265 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NC[C@H](O)COCC1CC1 ZINC000303973177 644860783 /nfs/dbraw/zinc/86/07/83/644860783.db2.gz GTHPBPAGOWIUPE-JTQLQIEISA-N 1 0 243.351 0.477 20 30 BCEDRO C[C@H](Cn1cccn1)[NH2+]CCO[C@@H](C)C#N ZINC000304206201 644877235 /nfs/dbraw/zinc/87/72/35/644877235.db2.gz CXIHWNNLKDVUDC-MNOVXSKESA-N 1 0 222.292 0.790 20 30 BCEDRO CC[N@@H+]1CCN(CCO[C@@H](C)C#N)C[C@H]1C ZINC000304231578 644878019 /nfs/dbraw/zinc/87/80/19/644878019.db2.gz KYIJZFXDDFLGMB-NEPJUHHUSA-N 1 0 225.336 0.941 20 30 BCEDRO C[C@@H](C#N)OCCN1CC[NH+](C2CC2)CC1 ZINC000304254008 644881497 /nfs/dbraw/zinc/88/14/97/644881497.db2.gz ROTUYAZJLZFQMU-NSHDSACASA-N 1 0 223.320 0.695 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)CCO[C@H](C)C#N ZINC000304254587 644881580 /nfs/dbraw/zinc/88/15/80/644881580.db2.gz RSIJVCMEGWSIKN-VHSXEESVSA-N 1 0 227.308 0.229 20 30 BCEDRO C[C@H](C#N)OCCN1CC[NH+](C2CC2)CC1 ZINC000304254005 644881974 /nfs/dbraw/zinc/88/19/74/644881974.db2.gz ROTUYAZJLZFQMU-LLVKDONJSA-N 1 0 223.320 0.695 20 30 BCEDRO N#CC[C@@H](O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000809573752 644891396 /nfs/dbraw/zinc/89/13/96/644891396.db2.gz XDRJEIFRZWHBGH-QWHCGFSZSA-N 1 0 237.347 0.821 20 30 BCEDRO CCC1(CO)CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809575696 644893314 /nfs/dbraw/zinc/89/33/14/644893314.db2.gz BAVMVIZJCCMFMP-LLVKDONJSA-N 1 0 226.320 0.745 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NCC1(CO)CC1 ZINC000304540875 644915898 /nfs/dbraw/zinc/91/58/98/644915898.db2.gz RBOYNCYCIPMINM-UHFFFAOYSA-N 1 0 237.303 0.717 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H](OC)C(C)(C)C ZINC000304699495 644924870 /nfs/dbraw/zinc/92/48/70/644924870.db2.gz JCLMDYAKKJGSSE-VHSXEESVSA-N 1 0 245.367 0.987 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCOc1cccnc1 ZINC000304738097 644928050 /nfs/dbraw/zinc/92/80/50/644928050.db2.gz ASOXQIHDGCUTOG-UHFFFAOYSA-N 1 0 234.303 0.941 20 30 BCEDRO CN(C)C(=[NH+]CCOC[C@H]1CCCO1)N(C)C ZINC000304747322 644929151 /nfs/dbraw/zinc/92/91/51/644929151.db2.gz GGHSPSOKIJHJPU-LLVKDONJSA-N 1 0 243.351 0.661 20 30 BCEDRO CC(C)NC(=[NH2+])NCC[S@@](=O)C(C)(C)C ZINC000304750297 644929226 /nfs/dbraw/zinc/92/92/26/644929226.db2.gz IFYHPSXPWKBYIC-OAHLLOKOSA-N 1 0 233.381 0.846 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCOC[C@H]1CCCO1 ZINC000304747892 644929525 /nfs/dbraw/zinc/92/95/25/644929525.db2.gz GTTYSIJPHYDKGH-LLVKDONJSA-N 1 0 243.351 0.839 20 30 BCEDRO [NH2+]=C(NCCCC1CC1)N1CCOCC1 ZINC000304757416 644931442 /nfs/dbraw/zinc/93/14/42/644931442.db2.gz OVMZHLXIBHMEFV-UHFFFAOYSA-N 1 0 211.309 0.824 20 30 BCEDRO C[NH+]=C(NC[C@@]1(C)CCCO1)NC1CC1 ZINC000304930449 644940672 /nfs/dbraw/zinc/94/06/72/644940672.db2.gz BAWOFAFOWWJICN-LLVKDONJSA-N 1 0 211.309 0.883 20 30 BCEDRO CCNC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000304993053 644943637 /nfs/dbraw/zinc/94/36/37/644943637.db2.gz DUBYVYVCAULNCY-SECBINFHSA-N 1 0 215.297 0.106 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000815055768 644949507 /nfs/dbraw/zinc/94/95/07/644949507.db2.gz NDQPPIFISCEPPY-LLVKDONJSA-N 1 0 239.319 0.504 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@H]1c1ncc[nH]1 ZINC000815078961 644951359 /nfs/dbraw/zinc/95/13/59/644951359.db2.gz LEJSWZDMJWIXPG-NSHDSACASA-N 1 0 246.314 0.686 20 30 BCEDRO C[C@@H]1CC[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000819250199 645008202 /nfs/dbraw/zinc/00/82/02/645008202.db2.gz UUSIEPONGFGXMI-AGIUHOORSA-N 1 0 239.363 0.971 20 30 BCEDRO CSC[C@@H](O)C[NH2+]Cc1ccc(C#N)cn1 ZINC000819312629 645010176 /nfs/dbraw/zinc/01/01/76/645010176.db2.gz UYSUXBJTUMCUJW-NSHDSACASA-N 1 0 237.328 0.767 20 30 BCEDRO CC(C)OC[C@H](O)C[NH2+]Cc1ccc(C#N)cn1 ZINC000819314071 645010875 /nfs/dbraw/zinc/01/08/75/645010875.db2.gz QEUXBQCXEDOQEB-CYBMUJFWSA-N 1 0 249.314 0.829 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000829784037 645111110 /nfs/dbraw/zinc/11/11/10/645111110.db2.gz FALUCODNKRGFCG-NSHDSACASA-N 1 0 244.360 0.271 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829998489 645113197 /nfs/dbraw/zinc/11/31/97/645113197.db2.gz MKUBPBZBXYQFSC-QWRGUYRKSA-N 1 0 223.276 0.266 20 30 BCEDRO CCC(=O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829998851 645113748 /nfs/dbraw/zinc/11/37/48/645113748.db2.gz SFWFBEBAKYHNHU-NSHDSACASA-N 1 0 210.277 0.706 20 30 BCEDRO C#CC1CC[NH+](C[C@H]2CCS(=O)(=O)C2)CC1 ZINC000830345509 645120504 /nfs/dbraw/zinc/12/05/04/645120504.db2.gz GISDXCHTENFDHH-GFCCVEGCSA-N 1 0 241.356 0.766 20 30 BCEDRO CC#CC(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000836946621 645182712 /nfs/dbraw/zinc/18/27/12/645182712.db2.gz ANDFICGUGSGOJH-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCNC(=O)NC[C@H]([NH3+])c1ccccc1OC ZINC000841506236 645217615 /nfs/dbraw/zinc/21/76/15/645217615.db2.gz NQSJHCSLUSHGHL-NSHDSACASA-N 1 0 247.298 0.627 20 30 BCEDRO CC(C)CNC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000841506949 645218146 /nfs/dbraw/zinc/21/81/46/645218146.db2.gz MJHDNCMUPMFXRT-IUCAKERBSA-N 1 0 210.281 0.053 20 30 BCEDRO C#CCNC(=O)NCc1ccc2c(c1)C[NH2+]C2 ZINC000841506923 645218238 /nfs/dbraw/zinc/21/82/38/645218238.db2.gz KVVZMIOYEUEZCB-UHFFFAOYSA-N 1 0 229.283 0.722 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000841506590 645218410 /nfs/dbraw/zinc/21/84/10/645218410.db2.gz OMYHYGRNKTVFQV-VHSXEESVSA-N 1 0 209.293 0.388 20 30 BCEDRO CON=Cc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000843325383 645283059 /nfs/dbraw/zinc/28/30/59/645283059.db2.gz JJDSGOYFJWEHTK-LBPRGKRZSA-N 1 0 247.298 0.840 20 30 BCEDRO C=CCNC(=O)CNc1ccc(OCC[NH3+])cc1 ZINC000843367476 645284998 /nfs/dbraw/zinc/28/49/98/645284998.db2.gz RHXGMEAMDNTBSI-UHFFFAOYSA-N 1 0 249.314 0.738 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NCC[NH+](C)C ZINC000845626184 645375183 /nfs/dbraw/zinc/37/51/83/645375183.db2.gz DFYIOOKUIFICBL-MRVPVSSYSA-N 1 0 201.270 0.353 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)COCCOC)C1 ZINC000847020133 645415630 /nfs/dbraw/zinc/41/56/30/645415630.db2.gz WEGWUEYPCGXKMA-OLZOCXBDSA-N 1 0 241.331 0.356 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[C@@H](C)O1 ZINC000849331227 645450817 /nfs/dbraw/zinc/45/08/17/645450817.db2.gz NSEGQBCQBIKPLV-NEPJUHHUSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000926864377 645462442 /nfs/dbraw/zinc/46/24/42/645462442.db2.gz CLYDIGKPTKAHEA-VXGBXAGGSA-N 1 0 249.358 0.198 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)c2cnn(C)n2)C1 ZINC000926868161 645465075 /nfs/dbraw/zinc/46/50/75/645465075.db2.gz ODSBVYPUYRBNKF-VXGBXAGGSA-N 1 0 247.346 0.563 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2COC[C@@H]2C)C1 ZINC000926868813 645466177 /nfs/dbraw/zinc/46/61/77/645466177.db2.gz QXHXZHNBVUJQGK-AVGNSLFASA-N 1 0 222.332 0.709 20 30 BCEDRO C[C@@H](C[C@@H]1CCC(=O)N1)[NH2+]CC1(C#N)CC1 ZINC000926873971 645469082 /nfs/dbraw/zinc/46/90/82/645469082.db2.gz KKGFRLXANOXSGL-UWVGGRQHSA-N 1 0 221.304 0.937 20 30 BCEDRO C#CCOCCN1CCN2CC(F)(F)C[C@H]2C1 ZINC000852202332 645474149 /nfs/dbraw/zinc/47/41/49/645474149.db2.gz DSFTWZBEKLXTLX-NSHDSACASA-N 1 0 244.285 0.661 20 30 BCEDRO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)CC2 ZINC000927142491 645566482 /nfs/dbraw/zinc/56/64/82/645566482.db2.gz CLYCGDRKTFFANW-HBNTYKKESA-N 1 0 245.330 0.954 20 30 BCEDRO C#CC[C@@H]1NC(=O)N([C@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000927503226 645630206 /nfs/dbraw/zinc/63/02/06/645630206.db2.gz RUILQSJORSVZER-VWYCJHECSA-N 1 0 249.314 0.413 20 30 BCEDRO C#CC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927706970 645642008 /nfs/dbraw/zinc/64/20/08/645642008.db2.gz BKEGPTIDCATWGM-UHFFFAOYSA-N 1 0 203.245 0.397 20 30 BCEDRO C#CC[C@H](COC)NC(=O)[C@@H](CC)[NH+](C)C ZINC000863800325 645706353 /nfs/dbraw/zinc/70/63/53/645706353.db2.gz CKALOWGMRASUMP-GHMZBOCLSA-N 1 0 226.320 0.481 20 30 BCEDRO C[C@@H](C(=O)N1CCC[C@@H](C#N)C1)[NH+](C)C ZINC000928211575 645711067 /nfs/dbraw/zinc/71/10/67/645711067.db2.gz KVUBOPGXXKAZPY-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)nn1 ZINC000928434271 645754056 /nfs/dbraw/zinc/75/40/56/645754056.db2.gz WGZITGWBJOCWGV-ZJUUUORDSA-N 1 0 249.318 0.287 20 30 BCEDRO CC(C)C#CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928436881 645756755 /nfs/dbraw/zinc/75/67/55/645756755.db2.gz VYPHGCNPOYPCSW-MNOVXSKESA-N 1 0 208.305 0.855 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928439604 645762127 /nfs/dbraw/zinc/76/21/27/645762127.db2.gz JEXOSUPPLLBFAX-FOGDFJRCSA-N 1 0 226.320 0.522 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)nc1 ZINC000928447599 645773479 /nfs/dbraw/zinc/77/34/79/645773479.db2.gz LFFZFROVXLJDGU-PWSUYJOCSA-N 1 0 243.310 0.885 20 30 BCEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000876796594 645787056 /nfs/dbraw/zinc/78/70/56/645787056.db2.gz MLJXNANFIPDRJG-KOLCDFICSA-N 1 0 206.289 0.596 20 30 BCEDRO C#CCC1(O)CC[NH+](CCc2cnn(C)c2)CC1 ZINC000880479766 645832872 /nfs/dbraw/zinc/83/28/72/645832872.db2.gz XOEKPZLZEJCCJL-UHFFFAOYSA-N 1 0 247.342 0.813 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc2ccccn12 ZINC000883123744 645848819 /nfs/dbraw/zinc/84/88/19/645848819.db2.gz JXNPYYOVHYNFCR-NSHDSACASA-N 1 0 229.283 0.808 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cn2cccc(F)c2n1 ZINC000883124559 645849516 /nfs/dbraw/zinc/84/95/16/645849516.db2.gz KDNBYAIBABWMET-JTQLQIEISA-N 1 0 247.273 0.947 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C2(C)COC2)CC1 ZINC000928654021 645853037 /nfs/dbraw/zinc/85/30/37/645853037.db2.gz KHYMONJVDUEXLV-UHFFFAOYSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)CCF)CC1 ZINC000928648115 645853605 /nfs/dbraw/zinc/85/36/05/645853605.db2.gz GTASKBZENYLSPL-UHFFFAOYSA-N 1 0 212.268 0.560 20 30 BCEDRO CC1(NC(=O)c2ccc(C#N)[nH]2)CC[NH2+]CC1 ZINC000884270143 645872079 /nfs/dbraw/zinc/87/20/79/645872079.db2.gz HDPDMAFPJUXLOW-UHFFFAOYSA-N 1 0 232.287 0.758 20 30 BCEDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884271100 645873060 /nfs/dbraw/zinc/87/30/60/645873060.db2.gz XUBLVUXZJPRJIG-PSASIEDQSA-N 1 0 232.287 0.614 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CC)CO ZINC000035115008 645935405 /nfs/dbraw/zinc/93/54/05/645935405.db2.gz ZDKVSBYPBPHGFY-BDAKNGLRSA-N 1 0 200.282 0.038 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)[C@@H](C)O)C1CCCCC1 ZINC000929362809 646096851 /nfs/dbraw/zinc/09/68/51/646096851.db2.gz WOBQOQVCODJQPB-DGCLKSJQSA-N 1 0 225.332 0.996 20 30 BCEDRO C=CCN1CC(=O)N([C@@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924885719 646124976 /nfs/dbraw/zinc/12/49/76/646124976.db2.gz JCRGUXIKQWGLJY-LLVKDONJSA-N 1 0 249.314 0.673 20 30 BCEDRO COC(=O)C[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000929474113 646129977 /nfs/dbraw/zinc/12/99/77/646129977.db2.gz HYRNULRBUBDLLX-GHMZBOCLSA-N 1 0 240.303 0.679 20 30 BCEDRO N#CC[C@@H](O)CN1CC[C@H]([NH+]2CCCC2)C1 ZINC000929486025 646140880 /nfs/dbraw/zinc/14/08/80/646140880.db2.gz STMSJPGAAWGQJP-NWDGAFQWSA-N 1 0 223.320 0.431 20 30 BCEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)c1cnn(C)n1 ZINC000924999333 646155712 /nfs/dbraw/zinc/15/57/12/646155712.db2.gz GQDQUPPZXLEOHW-SNVBAGLBSA-N 1 0 248.334 0.454 20 30 BCEDRO C[N@H+](CCO)CCNC(=O)C1(C#N)CCCC1 ZINC000925016080 646158286 /nfs/dbraw/zinc/15/82/86/646158286.db2.gz XKUFGQLRYBQQLR-UHFFFAOYSA-N 1 0 239.319 0.111 20 30 BCEDRO C#CCCC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000925164889 646197225 /nfs/dbraw/zinc/19/72/25/646197225.db2.gz XLVYLDYFFUPEKH-NSHDSACASA-N 1 0 236.315 0.285 20 30 BCEDRO C=CCN1CC(=O)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000925198151 646207250 /nfs/dbraw/zinc/20/72/50/646207250.db2.gz ZILZHQFSMBQZRB-SECBINFHSA-N 1 0 223.276 0.141 20 30 BCEDRO C[N@H+](CCn1cccn1)C[C@H](O)CC#N ZINC000929621765 646207867 /nfs/dbraw/zinc/20/78/67/646207867.db2.gz RFOACINRPMSKPD-SNVBAGLBSA-N 1 0 208.265 0.089 20 30 BCEDRO C#CC[C@H]1NC(=O)N([C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000925300531 646233999 /nfs/dbraw/zinc/23/39/99/646233999.db2.gz WLWVSFOXRCWRHR-NXEZZACHSA-N 1 0 235.287 0.024 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925332560 646244074 /nfs/dbraw/zinc/24/40/74/646244074.db2.gz PIGBJLMMMXMGHY-MXWKQRLJSA-N 1 0 241.335 0.315 20 30 BCEDRO C[C@@H]1CSCC[N@@H+]1C[C@H](O)CC#N ZINC000929688253 646244714 /nfs/dbraw/zinc/24/47/14/646244714.db2.gz KAVGBHKMYOZTCI-RKDXNWHRSA-N 1 0 200.307 0.698 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000925419886 646273497 /nfs/dbraw/zinc/27/34/97/646273497.db2.gz GZBKGPTWJBQLNI-MWLCHTKSSA-N 1 0 240.282 0.338 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925423729 646276928 /nfs/dbraw/zinc/27/69/28/646276928.db2.gz IMGFPOFFVKTIGA-JTQLQIEISA-N 1 0 209.293 0.355 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](COCCOC)C1 ZINC000929733338 646277110 /nfs/dbraw/zinc/27/71/10/646277110.db2.gz RUMXRJWTCCWCJV-QWHCGFSZSA-N 1 0 243.347 0.908 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@H](C#N)C1 ZINC000925432770 646277946 /nfs/dbraw/zinc/27/79/46/646277946.db2.gz OXJCPUIZKQGOLD-MNOVXSKESA-N 1 0 236.319 0.636 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)c1cnn(C)n1 ZINC000925453121 646285710 /nfs/dbraw/zinc/28/57/10/646285710.db2.gz GYKPBABOQSTNDU-SECBINFHSA-N 1 0 224.333 0.832 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H](O)CCC1(O)CCC1 ZINC000929757752 646288133 /nfs/dbraw/zinc/28/81/33/646288133.db2.gz LCSMRXIDGYMNIU-ZDUSSCGKSA-N 1 0 235.327 0.611 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000929788711 646317334 /nfs/dbraw/zinc/31/73/34/646317334.db2.gz SNGAMNMVZRJIAZ-WOPDTQHZSA-N 1 0 209.289 0.745 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCOC2(CCOCC2)C1 ZINC000929851610 646360486 /nfs/dbraw/zinc/36/04/86/646360486.db2.gz JMJDXHRCIREPLS-LBPRGKRZSA-N 1 0 241.331 0.805 20 30 BCEDRO C=C(C)COCCN[C@@H]1C[NH2+]CCOC1 ZINC000925621242 646367261 /nfs/dbraw/zinc/36/72/61/646367261.db2.gz ZUWOSZJGVLKZTI-LLVKDONJSA-N 1 0 214.309 0.157 20 30 BCEDRO C=CC[C@@H](CO)CN[C@H]1CC[NH2+]C1(C)C ZINC000925630905 646369519 /nfs/dbraw/zinc/36/95/19/646369519.db2.gz SJCBXCJIDLYNMT-MNOVXSKESA-N 1 0 212.337 0.901 20 30 BCEDRO CC(C)(C)[C@H]([NH2+]Cc1cncc(C#N)c1)C(N)=O ZINC000930012160 646394586 /nfs/dbraw/zinc/39/45/86/646394586.db2.gz WXVGUEBYDLQZJP-LLVKDONJSA-N 1 0 246.314 0.943 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1N[C@@H]1C[NH2+]CCOC1 ZINC000925687425 646414126 /nfs/dbraw/zinc/41/41/26/646414126.db2.gz ASYZASIJNFMVPP-UTUOFQBUSA-N 1 0 226.320 0.298 20 30 BCEDRO N#Cc1ccc(CN[C@@H]2C[NH2+]CCOC2)cc1F ZINC000925693866 646419649 /nfs/dbraw/zinc/41/96/49/646419649.db2.gz SNWDANKAYPLRJI-GFCCVEGCSA-N 1 0 249.289 0.775 20 30 BCEDRO N#Cc1ccc(CN[C@H]2C[NH2+]CCOC2)cc1F ZINC000925694445 646419818 /nfs/dbraw/zinc/41/98/18/646419818.db2.gz SNWDANKAYPLRJI-LBPRGKRZSA-N 1 0 249.289 0.775 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000930078199 646422275 /nfs/dbraw/zinc/42/22/75/646422275.db2.gz YRRRCVSTMHLUNR-VXGBXAGGSA-N 1 0 249.318 0.265 20 30 BCEDRO CCC(CC)(C[NH2+]C[C@H](O)CC#N)C(=O)OC ZINC000930083651 646424922 /nfs/dbraw/zinc/42/49/22/646424922.db2.gz JBHNJSHPHJSGLT-SNVBAGLBSA-N 1 0 242.319 0.830 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CC[NH2+]C23CCC3)nn1 ZINC000925704954 646428536 /nfs/dbraw/zinc/42/85/36/646428536.db2.gz IZTUJRBWQRVELD-GFCCVEGCSA-N 1 0 247.346 0.838 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CCC[NH2+][C@H]2C)nn1 ZINC000925704374 646429255 /nfs/dbraw/zinc/42/92/55/646429255.db2.gz GLZSVSHALVEHFI-CMPLNLGQSA-N 1 0 235.335 0.694 20 30 BCEDRO CC[C@@H](CO)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000930113217 646439657 /nfs/dbraw/zinc/43/96/57/646439657.db2.gz BVKUKYYLDULGHW-QWHCGFSZSA-N 1 0 239.363 0.923 20 30 BCEDRO COCC(COC)[NH+]1CCN(CCC#N)CC1 ZINC000930115642 646441411 /nfs/dbraw/zinc/44/14/11/646441411.db2.gz BERQJEJVFSQOFW-UHFFFAOYSA-N 1 0 241.335 0.179 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)C[C@]1(O)CCOC1)C1CC1 ZINC000930176029 646477495 /nfs/dbraw/zinc/47/74/95/646477495.db2.gz PDXOCAXIYRWKLF-CHWSQXEVSA-N 1 0 241.331 0.539 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)C(C)(C)CO ZINC000926127672 646581297 /nfs/dbraw/zinc/58/12/97/646581297.db2.gz YNMXUYFOSYGNMA-JTQLQIEISA-N 1 0 249.376 0.584 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)n2ncnc21 ZINC000926152831 646585468 /nfs/dbraw/zinc/58/54/68/646585468.db2.gz LGPJGAQZYQPKRH-IVZWLZJFSA-N 1 0 222.292 0.811 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H]1C[C@H](C)n2ncnc21 ZINC000926152829 646586121 /nfs/dbraw/zinc/58/61/21/646586121.db2.gz LGPJGAQZYQPKRH-AEJSXWLSSA-N 1 0 222.292 0.811 20 30 BCEDRO C#C[C@@H]([NH2+]C1CCN(OC)CC1)[C@H]1CCCO1 ZINC000926211943 646595576 /nfs/dbraw/zinc/59/55/76/646595576.db2.gz WRKUPNKGAWUGRJ-CHWSQXEVSA-N 1 0 238.331 0.783 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1CCC(C)(O)CC1 ZINC000926411120 646632968 /nfs/dbraw/zinc/63/29/68/646632968.db2.gz TUYVQLVSDZBRRM-UHFFFAOYSA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCOC[C@H]1C ZINC000393787949 711678558 /nfs/dbraw/zinc/67/85/58/711678558.db2.gz GLBCVZLJWVJEMI-GMTAPVOTSA-N 1 0 212.293 0.930 20 30 BCEDRO CCNS(=O)(=O)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000393790565 711678703 /nfs/dbraw/zinc/67/87/03/711678703.db2.gz DMZQXPUSNRMRAO-UWVGGRQHSA-N 1 0 245.348 0.208 20 30 BCEDRO C#CCCNC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000926833701 711687019 /nfs/dbraw/zinc/68/70/19/711687019.db2.gz BPEGZNBREWRPDQ-LLVKDONJSA-N 1 0 241.335 0.276 20 30 BCEDRO C#CCOCCNC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000753233689 711793258 /nfs/dbraw/zinc/79/32/58/711793258.db2.gz YLHLSTPFNFBRLG-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000161186859 711811094 /nfs/dbraw/zinc/81/10/94/711811094.db2.gz MHMIXEAMZJSQOE-SNVBAGLBSA-N 1 0 215.318 0.567 20 30 BCEDRO CCO[C@@H]1[C@@H](C)[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913524442 711823533 /nfs/dbraw/zinc/82/35/33/711823533.db2.gz MQDIUNWXBGXTRC-SDDRHHMPSA-N 1 0 238.331 0.339 20 30 BCEDRO Cc1cc(C(=O)NCC#CC[NH+](C)C)co1 ZINC000913521130 711824074 /nfs/dbraw/zinc/82/40/74/711824074.db2.gz LWIPCMBCJMIWER-UHFFFAOYSA-N 1 0 220.272 0.883 20 30 BCEDRO CO[C@H](C(=O)NCC#CC[NH+](C)C)C(C)C ZINC000913521034 711824084 /nfs/dbraw/zinc/82/40/84/711824084.db2.gz IUPASTJYGZGSTF-NSHDSACASA-N 1 0 226.320 0.339 20 30 BCEDRO CC[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078357898 711941517 /nfs/dbraw/zinc/94/15/17/711941517.db2.gz DKSMOSIUHYHMNT-WDEREUQCSA-N 1 0 239.319 0.373 20 30 BCEDRO CC1(C)C[NH2+]C[C@H]1Nc1cncc(C#N)n1 ZINC000721955445 711948154 /nfs/dbraw/zinc/94/81/54/711948154.db2.gz WGNCFYKKXFKUBO-SECBINFHSA-N 1 0 217.276 0.758 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000700397645 711991087 /nfs/dbraw/zinc/99/10/87/711991087.db2.gz DRJRAHSJIVLPAI-JTQLQIEISA-N 1 0 221.304 0.843 20 30 BCEDRO C[NH+]1C[C@@]2(C)CN(C(=O)CC#N)C[C@]2(C)C1 ZINC000706957007 712163316 /nfs/dbraw/zinc/16/33/16/712163316.db2.gz BLKXYMWGCIIWSR-RYUDHWBXSA-N 1 0 221.304 0.700 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)CC[C@H](C)[NH3+] ZINC000707280595 712168196 /nfs/dbraw/zinc/16/81/96/712168196.db2.gz SFPSWLVPEBSQTH-JTQLQIEISA-N 1 0 242.319 0.692 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H](O)COC(C)C)CC1 ZINC000708142453 712183132 /nfs/dbraw/zinc/18/31/32/712183132.db2.gz HXGNDAPQPWZROI-GFCCVEGCSA-N 1 0 241.331 0.232 20 30 BCEDRO C#CC1(O)CC[NH+](CCC(=O)OCC)CC1 ZINC000708142676 712183204 /nfs/dbraw/zinc/18/32/04/712183204.db2.gz LTQPRXFHDMXHDC-UHFFFAOYSA-N 1 0 225.288 0.400 20 30 BCEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)COC)CC[C@H]21 ZINC001036607626 712200735 /nfs/dbraw/zinc/20/07/35/712200735.db2.gz ZAXRCQKTFLFHRK-VXGBXAGGSA-N 1 0 238.331 0.742 20 30 BCEDRO C=C[C@H](NC[C@H]1CC[N@H+]1CC)C(=O)OC ZINC000710309001 712250900 /nfs/dbraw/zinc/25/09/00/712250900.db2.gz HPLSZTDVQXYUEA-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCCS(=O)(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000710883857 712261501 /nfs/dbraw/zinc/26/15/01/712261501.db2.gz XOZUASPLOUYWQQ-QWRGUYRKSA-N 1 0 244.360 0.624 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1COC[C@H]1C ZINC000710949812 712267132 /nfs/dbraw/zinc/26/71/32/712267132.db2.gz NSSOHFIIEHZDQT-UTLUCORTSA-N 1 0 212.293 0.302 20 30 BCEDRO C#CCCS(=O)(=O)NC1CC[NH+](CC)CC1 ZINC000711064934 712277916 /nfs/dbraw/zinc/27/79/16/712277916.db2.gz JGSIRFCGJKCYNN-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CCCS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000711064531 712278232 /nfs/dbraw/zinc/27/82/32/712278232.db2.gz BERGNFOIAIUSFU-NSHDSACASA-N 1 0 244.360 0.271 20 30 BCEDRO C=CCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711697557 712318090 /nfs/dbraw/zinc/31/80/90/712318090.db2.gz KZQDLEIAYLCAQF-KOLCDFICSA-N 1 0 209.293 0.756 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C2CC2)C1 ZINC001079333413 712346832 /nfs/dbraw/zinc/34/68/32/712346832.db2.gz VGEOXEVYZPKRSA-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCC[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000378732008 712359896 /nfs/dbraw/zinc/35/98/96/712359896.db2.gz LIGAILJPUPETGE-OLZOCXBDSA-N 1 0 223.316 0.919 20 30 BCEDRO CCC(=[NH+]NCCO)c1cccc(N)c1 ZINC000378861012 712364234 /nfs/dbraw/zinc/36/42/34/712364234.db2.gz QCBCNBJBFBRPDD-UHFFFAOYSA-N 1 0 207.277 0.965 20 30 BCEDRO C#CCNC(=S)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000758214953 712407981 /nfs/dbraw/zinc/40/79/81/712407981.db2.gz BXNBMGAABMZZJT-VIFPVBQESA-N 1 0 223.345 0.320 20 30 BCEDRO C=CCNC(=O)CN(C)C1(C[NH3+])CCCCC1 ZINC000713362937 712459742 /nfs/dbraw/zinc/45/97/42/712459742.db2.gz JVCIPFGFZAZWDD-UHFFFAOYSA-N 1 0 239.363 0.882 20 30 BCEDRO CCNC(N[C@H]1C[C@H](S(C)(=O)=O)C1)=[NH+]CC ZINC000714249409 712480641 /nfs/dbraw/zinc/48/06/41/712480641.db2.gz HVVAVMVPMQGBIM-KYZUINATSA-N 1 0 247.364 0.137 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cn(CC)nn1 ZINC000714927680 712500767 /nfs/dbraw/zinc/50/07/67/712500767.db2.gz JVHDTPXHLQQSGP-VIFPVBQESA-N 1 0 210.281 0.325 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715942485 712544577 /nfs/dbraw/zinc/54/45/77/712544577.db2.gz JOBVTZIPROVGFD-IUCAKERBSA-N 1 0 210.281 0.403 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cc(C)nn1C ZINC000716355026 712556060 /nfs/dbraw/zinc/55/60/60/712556060.db2.gz UHFDQAXONUXTBO-LLVKDONJSA-N 1 0 221.304 0.856 20 30 BCEDRO CCNC(NCC[C@H](O)C(F)(F)F)=[NH+]CC ZINC000716766652 712572867 /nfs/dbraw/zinc/57/28/67/712572867.db2.gz WIPJJJNCPAXYNA-ZETCQYMHSA-N 1 0 241.257 0.875 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H]1CCN(CCOC)C1 ZINC000716857218 712578949 /nfs/dbraw/zinc/57/89/49/712578949.db2.gz PVUKUPTXGAKOMN-QWHCGFSZSA-N 1 0 240.347 0.335 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](COC)C1CC1 ZINC000876805866 712629697 /nfs/dbraw/zinc/62/96/97/712629697.db2.gz GTZQRUJJUVGGRL-ZJUUUORDSA-N 1 0 246.738 0.998 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]CC1=CCCOC1 ZINC000717709733 712666243 /nfs/dbraw/zinc/66/62/43/712666243.db2.gz LBTGJJMGKUAHIR-GFCCVEGCSA-N 1 0 209.289 0.697 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccnc(C)c1 ZINC000717740454 712668564 /nfs/dbraw/zinc/66/85/64/712668564.db2.gz PSAKCBOZUDJGDG-LBPRGKRZSA-N 1 0 204.273 0.864 20 30 BCEDRO N#C[C@@H]1CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000932151929 712715796 /nfs/dbraw/zinc/71/57/96/712715796.db2.gz LFNAKJPVOCOTAB-NSHDSACASA-N 1 0 224.304 0.763 20 30 BCEDRO C[C@H]1[C@H](Nc2ncncc2C#N)CC[N@@H+]1C ZINC000719605368 712816281 /nfs/dbraw/zinc/81/62/81/712816281.db2.gz XUWNIZISJMOQMP-WCBMZHEXSA-N 1 0 217.276 0.275 20 30 BCEDRO Nc1ncccc1C=[NH+]NC1CCOCC1 ZINC000381269128 710614639 /nfs/dbraw/zinc/61/46/39/710614639.db2.gz VCJKTBSGQOSIAT-UHFFFAOYSA-N 1 0 220.276 0.766 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CC2)C[C@H]1C ZINC000381257155 710612035 /nfs/dbraw/zinc/61/20/35/710612035.db2.gz QYKZXBXLWHEAOU-PWSUYJOCSA-N 1 0 220.316 0.856 20 30 BCEDRO C#C[C@@H](NC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000381466931 710641686 /nfs/dbraw/zinc/64/16/86/710641686.db2.gz MYCYJUSFHJUMFE-CHWSQXEVSA-N 1 0 222.332 0.851 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC1(Cl)Cl ZINC000381481150 710643756 /nfs/dbraw/zinc/64/37/56/710643756.db2.gz DJDMOEIFKJSCBE-VQVTYTSYSA-N 1 0 248.113 0.408 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCS(=O)(=O)CC ZINC000384129528 710641090 /nfs/dbraw/zinc/64/10/90/710641090.db2.gz ACNGWFMGGTUZDX-JTQLQIEISA-N 1 0 217.334 0.813 20 30 BCEDRO CCC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000381497464 710646649 /nfs/dbraw/zinc/64/66/49/710646649.db2.gz BNDHMSROTSRACP-RKDXNWHRSA-N 1 0 207.277 0.404 20 30 BCEDRO C=C[C@H](C)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000381574943 710655805 /nfs/dbraw/zinc/65/58/05/710655805.db2.gz ZKIGRNVQBLYAKV-VHSXEESVSA-N 1 0 212.293 0.446 20 30 BCEDRO C#C[C@@H](NCc1ccn(C)n1)[C@H]1CCCO1 ZINC000381602528 710660949 /nfs/dbraw/zinc/66/09/49/710660949.db2.gz OMFHRPZNWIITCJ-VXGBXAGGSA-N 1 0 219.288 0.691 20 30 BCEDRO CCCSCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000381622210 710662697 /nfs/dbraw/zinc/66/26/97/710662697.db2.gz CYDUWIXDWIQQAJ-IUCAKERBSA-N 1 0 227.333 0.357 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000381624259 710663319 /nfs/dbraw/zinc/66/33/19/710663319.db2.gz HQWOQNVDAPSFKU-MCIGGMRASA-N 1 0 220.316 0.904 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001018758524 710668810 /nfs/dbraw/zinc/66/88/10/710668810.db2.gz FKLSPWBCVXEABC-JTQLQIEISA-N 1 0 233.271 0.420 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC001018757420 710669503 /nfs/dbraw/zinc/66/95/03/710669503.db2.gz LLWKMDIMPPXCKQ-LBPRGKRZSA-N 1 0 236.315 0.710 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)C(=O)N(C)C)[C@H]1CCCO1 ZINC000393750009 710672245 /nfs/dbraw/zinc/67/22/45/710672245.db2.gz BLHZXMFYQJRZQN-OUAUKWLOSA-N 1 0 224.304 0.234 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCCS(C)(=O)=O ZINC000384161272 710672910 /nfs/dbraw/zinc/67/29/10/710672910.db2.gz JYVGZJJLRZCXSX-SNVBAGLBSA-N 1 0 217.334 0.813 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C)c1 ZINC001038166538 710675965 /nfs/dbraw/zinc/67/59/65/710675965.db2.gz HEPOSQLNQFMSOP-CYBMUJFWSA-N 1 0 245.326 0.853 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)C1=CCOCC1 ZINC001038190737 710679740 /nfs/dbraw/zinc/67/97/40/710679740.db2.gz OCWKYNOQQORKRN-CYBMUJFWSA-N 1 0 248.326 0.547 20 30 BCEDRO C#CCCN1CC[C@@H]1CNC(=O)c1ccsn1 ZINC001038390224 710683476 /nfs/dbraw/zinc/68/34/76/710683476.db2.gz HLPOXOBPTFQGEF-SNVBAGLBSA-N 1 0 249.339 0.971 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001038454784 710687827 /nfs/dbraw/zinc/68/78/27/710687827.db2.gz BSMJXRJBEKVISQ-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO CC#CCN1CC[C@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001038601189 710696627 /nfs/dbraw/zinc/69/66/27/710696627.db2.gz XWKFLAZIEYONKQ-SRVKXCTJSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnnc1 ZINC001038732046 710703414 /nfs/dbraw/zinc/70/34/14/710703414.db2.gz ISNHMFHMUOSTBL-GFCCVEGCSA-N 1 0 246.314 0.857 20 30 BCEDRO C#C[C@@H]([NH2+]CCCC(=O)OC)[C@@H]1CCCO1 ZINC000381758738 710703564 /nfs/dbraw/zinc/70/35/64/710703564.db2.gz SXYPMDQCFXSEDM-MNOVXSKESA-N 1 0 225.288 0.710 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1[nH]cnc1C ZINC001039086323 710719793 /nfs/dbraw/zinc/71/97/93/710719793.db2.gz KOBOKANKKMIHHD-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO CCC[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000393790640 710719825 /nfs/dbraw/zinc/71/98/25/710719825.db2.gz LSPPANBBFUDXPJ-IVZWLZJFSA-N 1 0 209.293 0.650 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1ncc[nH]1 ZINC000382053924 710769654 /nfs/dbraw/zinc/76/96/54/710769654.db2.gz NOFPFNWRRSLHMR-UHFFFAOYSA-N 1 0 206.293 0.454 20 30 BCEDRO CC#CCN1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042538139 710791770 /nfs/dbraw/zinc/79/17/70/710791770.db2.gz FEURRSIWEGSVMP-ZDUSSCGKSA-N 1 0 249.358 0.247 20 30 BCEDRO COCCN(C)[NH+]=Cc1c(C)nn(C)c1N ZINC000382165501 710801926 /nfs/dbraw/zinc/80/19/26/710801926.db2.gz USIIGLUAOBDNAB-UHFFFAOYSA-N 1 0 225.296 0.223 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)CC(=O)OCC ZINC000384179879 710805337 /nfs/dbraw/zinc/80/53/37/710805337.db2.gz PQXLWEPPKJQGKY-JQWIXIFHSA-N 1 0 227.304 0.692 20 30 BCEDRO C#CCN1CC(N(C)C(=O)C2CC[NH+](C)CC2)C1 ZINC001043726376 710812755 /nfs/dbraw/zinc/81/27/55/710812755.db2.gz LTASKKGRFJVIEZ-UHFFFAOYSA-N 1 0 249.358 0.104 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001044784944 710831507 /nfs/dbraw/zinc/83/15/07/710831507.db2.gz XCCSNIFMIBSJAT-ZJUUUORDSA-N 1 0 247.302 0.021 20 30 BCEDRO C#CCCN1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044291867 710822785 /nfs/dbraw/zinc/82/27/85/710822785.db2.gz GJLRNAGWWRYPQN-LBPRGKRZSA-N 1 0 249.358 0.104 20 30 BCEDRO CC(=[NH+]N[C@H]1CCOC1)c1ccc(N)nc1 ZINC000393927160 710827940 /nfs/dbraw/zinc/82/79/40/710827940.db2.gz TYMSRLQEUYQDJV-JTQLQIEISA-N 1 0 220.276 0.597 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)[C@H](C)C1 ZINC001044478105 710828041 /nfs/dbraw/zinc/82/80/41/710828041.db2.gz LIQUASPRSORNRX-MNOVXSKESA-N 1 0 246.314 0.626 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@@H](C)C1 ZINC001044517242 710828092 /nfs/dbraw/zinc/82/80/92/710828092.db2.gz GHBUQQZINSVLPM-VHSXEESVSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)[C@@H](C)C1 ZINC001044784943 710830165 /nfs/dbraw/zinc/83/01/65/710830165.db2.gz XCCSNIFMIBSJAT-VHSXEESVSA-N 1 0 247.302 0.021 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)C2CC2)C1 ZINC001046092692 710848397 /nfs/dbraw/zinc/84/83/97/710848397.db2.gz NGXSAVWTTCXEEV-GFCCVEGCSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCO2)C1 ZINC001046123134 710849936 /nfs/dbraw/zinc/84/99/36/710849936.db2.gz QGXWYPGLDKUNAF-DGCLKSJQSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CC2(F)F)C1 ZINC001046299898 710858451 /nfs/dbraw/zinc/85/84/51/710858451.db2.gz STIKHDYZCUGTBI-MWLCHTKSSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)CCC)C[C@H]2C1 ZINC001048646136 710884922 /nfs/dbraw/zinc/88/49/22/710884922.db2.gz GRLDPXQGWVXBQW-TXEJJXNPSA-N 1 0 220.316 0.810 20 30 BCEDRO CC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC001048725788 710887340 /nfs/dbraw/zinc/88/73/40/710887340.db2.gz VYCMRGSPLYDSRC-MXWKQRLJSA-N 1 0 221.304 0.556 20 30 BCEDRO C#CCC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048724562 710887579 /nfs/dbraw/zinc/88/75/79/710887579.db2.gz BLKNKCPZRMOKFC-RWMBFGLXSA-N 1 0 245.326 0.560 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)COC)C[C@@H]1C ZINC001054302327 710925498 /nfs/dbraw/zinc/92/54/98/710925498.db2.gz XFDRRMJQADZWTD-WDEREUQCSA-N 1 0 226.320 0.645 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC2CC2)C[C@@H]1C ZINC001054324548 710928718 /nfs/dbraw/zinc/92/87/18/710928718.db2.gz OZSOJFGTSNZBIS-CMPLNLGQSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccccn2)C[C@H]1C ZINC001054326507 710929482 /nfs/dbraw/zinc/92/94/82/710929482.db2.gz PHISVUYGENBJNM-YPMHNXCESA-N 1 0 243.310 0.765 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccco2)C[C@@H]1C ZINC001054335624 710930498 /nfs/dbraw/zinc/93/04/98/710930498.db2.gz PUNBFPOKMFYMLN-QWRGUYRKSA-N 1 0 232.283 0.963 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2=COCCC2)C[C@H]1C ZINC001054461835 710935276 /nfs/dbraw/zinc/93/52/76/710935276.db2.gz FTAYYUDGMHLOAA-DGCLKSJQSA-N 1 0 248.326 0.750 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1C ZINC001054498792 710935975 /nfs/dbraw/zinc/93/59/75/710935975.db2.gz DNQDLOUGTCSJMX-JQWIXIFHSA-N 1 0 246.314 0.022 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@H]1C ZINC001054481159 710936277 /nfs/dbraw/zinc/93/62/77/710936277.db2.gz VDXIJRTVRMPHAW-NXEZZACHSA-N 1 0 235.287 0.911 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cocn2)C[C@@H]1C ZINC001054481160 710936367 /nfs/dbraw/zinc/93/63/67/710936367.db2.gz VDXIJRTVRMPHAW-UWVGGRQHSA-N 1 0 235.287 0.911 20 30 BCEDRO CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001054606606 710939381 /nfs/dbraw/zinc/93/93/81/710939381.db2.gz WNAHJMCSNQPCMX-BXKDBHETSA-N 1 0 246.314 0.956 20 30 BCEDRO CC[NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001054606609 710939391 /nfs/dbraw/zinc/93/93/91/710939391.db2.gz WNAHJMCSNQPCMX-CABZTGNLSA-N 1 0 246.314 0.956 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C ZINC001054624213 710939702 /nfs/dbraw/zinc/93/97/02/710939702.db2.gz TYQJIAGXUBDESU-MNOVXSKESA-N 1 0 238.331 0.217 20 30 BCEDRO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]CCF ZINC001054655784 710940241 /nfs/dbraw/zinc/94/02/41/710940241.db2.gz JDCJZSZIPJJENW-PWSUYJOCSA-N 1 0 238.306 0.806 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cnco2)C[C@@H]1C ZINC001054947049 710942080 /nfs/dbraw/zinc/94/20/80/710942080.db2.gz WDLUAKZQQZYGTG-VHSXEESVSA-N 1 0 233.271 0.358 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1C ZINC001054866976 710942542 /nfs/dbraw/zinc/94/25/42/710942542.db2.gz PCWARLMNYIVGCJ-WDEREUQCSA-N 1 0 248.330 0.656 20 30 BCEDRO Cc1ccc(C=NNC2=[NH+]CCN2)s1 ZINC000383924718 710986536 /nfs/dbraw/zinc/98/65/36/710986536.db2.gz PCPIXSRMKGPMEL-UHFFFAOYSA-N 1 0 208.290 0.939 20 30 BCEDRO CC1(C)[C@@H](O)CC[N@@H+]1CCOCCC#N ZINC000385311285 711010466 /nfs/dbraw/zinc/01/04/66/711010466.db2.gz NLARWVIQASQBGB-JTQLQIEISA-N 1 0 212.293 0.762 20 30 BCEDRO C#C[C@@](C)(CC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000387182286 711041236 /nfs/dbraw/zinc/04/12/36/711041236.db2.gz DSIXRZJHCSDMCE-JQWIXIFHSA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@](C)(CC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000387182292 711041496 /nfs/dbraw/zinc/04/14/96/711041496.db2.gz DSIXRZJHCSDMCE-ZYHUDNBSSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCCC[N@@H+](CC)[C@@H]1CCS(=O)(=O)C1 ZINC000387276046 711041931 /nfs/dbraw/zinc/04/19/31/711041931.db2.gz NQBREQAUNSVBFC-LLVKDONJSA-N 1 0 229.345 0.909 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000389404646 711078726 /nfs/dbraw/zinc/07/87/26/711078726.db2.gz KJWLESJLFNIJRR-UTLUCORTSA-N 1 0 212.293 0.664 20 30 BCEDRO C=CC[N@H+]1CCCN(C(=O)c2ccnn2C)CC1 ZINC000072252438 711126888 /nfs/dbraw/zinc/12/68/88/711126888.db2.gz XBTYWLDELWQWSG-UHFFFAOYSA-N 1 0 248.330 0.754 20 30 BCEDRO CNC(NCCCC(C)(C)CO)=[NH+]C ZINC000393438677 711158866 /nfs/dbraw/zinc/15/88/66/711158866.db2.gz SDNWJVSARQTMIW-UHFFFAOYSA-N 1 0 201.314 0.580 20 30 BCEDRO C=CC[N@H+]1CC[C@]2(C1)CN(C(C)=O)C[C@H](C)O2 ZINC001071107741 711166368 /nfs/dbraw/zinc/16/63/68/711166368.db2.gz KFYCPNJRHDWKGZ-AAEUAGOBSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CC[N@H+]1CC[C@@]2(C1)CN(C(C)=O)C[C@H](C)O2 ZINC001071107743 711167170 /nfs/dbraw/zinc/16/71/70/711167170.db2.gz KFYCPNJRHDWKGZ-WCQYABFASA-N 1 0 238.331 0.884 20 30 BCEDRO CCNC(NC[C@H](CO)C(C)C)=[NH+]CC ZINC000394114346 711185031 /nfs/dbraw/zinc/18/50/31/711185031.db2.gz QPFBBHZOLRLMHW-SNVBAGLBSA-N 1 0 215.341 0.826 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)COCCOC ZINC000395167961 711202986 /nfs/dbraw/zinc/20/29/86/711202986.db2.gz XYNBEHHLBTUYAX-VXGBXAGGSA-N 1 0 229.320 0.402 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)COCCOC ZINC000395167956 711203640 /nfs/dbraw/zinc/20/36/40/711203640.db2.gz XYNBEHHLBTUYAX-NEPJUHHUSA-N 1 0 229.320 0.402 20 30 BCEDRO N#CCCNC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000395273265 711207306 /nfs/dbraw/zinc/20/73/06/711207306.db2.gz BBSZBMQIKYNBIQ-LLVKDONJSA-N 1 0 239.319 0.157 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)C1CC(C)(C)C1 ZINC000395465545 711211001 /nfs/dbraw/zinc/21/10/01/711211001.db2.gz RBHKECZSJBJJFS-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO CCNC(NCC[C@H]1CCOC1)=[NH+]CC ZINC000395544812 711212831 /nfs/dbraw/zinc/21/28/31/711212831.db2.gz DECAENBJSZROCX-JTQLQIEISA-N 1 0 213.325 0.988 20 30 BCEDRO CCNC(NC[C@H](OC)C1CC1)=[NH+]CC ZINC000395541775 711213340 /nfs/dbraw/zinc/21/33/40/711213340.db2.gz BDDOQBMUATYLMA-JTQLQIEISA-N 1 0 213.325 0.986 20 30 BCEDRO CCNC(NC[C@@H](COC)OC)=[NH+]CC ZINC000395740157 711214877 /nfs/dbraw/zinc/21/48/77/711214877.db2.gz SIFSJEIQODZZOZ-VIFPVBQESA-N 1 0 217.313 0.223 20 30 BCEDRO CCNC(NCCCC(=O)NC)=[NH+]CC ZINC000398085627 711400449 /nfs/dbraw/zinc/40/04/49/711400449.db2.gz UCDVNXQHEXNNLL-UHFFFAOYSA-N 1 0 214.313 0.088 20 30 BCEDRO CC#CC[N@@H+]1CCCO[C@H](CNC(C)=O)C1 ZINC001073505878 711440692 /nfs/dbraw/zinc/44/06/92/711440692.db2.gz IZKJXVSWADJGBL-GFCCVEGCSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCSCC[NH2+][C@@H]1CCN(CCOC)C1 ZINC000381413301 710634299 /nfs/dbraw/zinc/63/42/99/710634299.db2.gz VHCVWVQUHSZICG-GFCCVEGCSA-N 1 0 242.388 0.663 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000381470865 710640836 /nfs/dbraw/zinc/64/08/36/710640836.db2.gz OJQRBKSBYNBZTR-QWRGUYRKSA-N 1 0 247.360 0.602 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1CCCC1 ZINC000381480117 710643336 /nfs/dbraw/zinc/64/33/36/710643336.db2.gz CNQHOUREWJCDCB-VHSXEESVSA-N 1 0 207.277 0.404 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001020003518 710673555 /nfs/dbraw/zinc/67/35/55/710673555.db2.gz JGCONLCOKQGWJJ-IJLUTSLNSA-N 1 0 238.331 0.978 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC001020004959 710673249 /nfs/dbraw/zinc/67/32/49/710673249.db2.gz ALTMWFWUDHEBCH-ZKCHVHJHSA-N 1 0 236.300 0.022 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccon2)C1 ZINC001020000146 710673368 /nfs/dbraw/zinc/67/33/68/710673368.db2.gz IUFISEUSTMPKPN-KYZUINATSA-N 1 0 221.260 0.711 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001019995441 710673573 /nfs/dbraw/zinc/67/35/73/710673573.db2.gz AGMAEBQRFWWGMC-XYPYZODXSA-N 1 0 246.314 0.456 20 30 BCEDRO C#CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001038604662 710696835 /nfs/dbraw/zinc/69/68/35/710696835.db2.gz FGDDUFMHZUYASC-GMTAPVOTSA-N 1 0 206.289 0.466 20 30 BCEDRO C#CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001038604663 710697739 /nfs/dbraw/zinc/69/77/39/710697739.db2.gz FGDDUFMHZUYASC-OUAUKWLOSA-N 1 0 206.289 0.466 20 30 BCEDRO C#CCN1CC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC001038783378 710705803 /nfs/dbraw/zinc/70/58/03/710705803.db2.gz WYPDUVQFRRMNHG-LLVKDONJSA-N 1 0 246.314 0.340 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@H](C)C1 ZINC001044660417 710829902 /nfs/dbraw/zinc/82/99/02/710829902.db2.gz VZSTVYZHZABLFB-ZJUUUORDSA-N 1 0 249.318 0.573 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000384227087 710836173 /nfs/dbraw/zinc/83/61/73/710836173.db2.gz VQRVGVBCRRWJLD-OLZOCXBDSA-N 1 0 240.347 0.071 20 30 BCEDRO C#CC[NH+]1CCC(C)(NC(=O)c2cn[nH]c2)CC1 ZINC001045375334 710838413 /nfs/dbraw/zinc/83/84/13/710838413.db2.gz PYWWNUMGYMZZNF-UHFFFAOYSA-N 1 0 246.314 0.627 20 30 BCEDRO C[C@@H](C#N)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000900401572 710843259 /nfs/dbraw/zinc/84/32/59/710843259.db2.gz XMIBKZLECQLPEH-DTWKUNHWSA-N 1 0 209.293 0.887 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001045991411 710844070 /nfs/dbraw/zinc/84/40/70/710844070.db2.gz ZAVXRBKHQXKQCG-CQSZACIVSA-N 1 0 249.358 0.248 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001045993366 710844083 /nfs/dbraw/zinc/84/40/83/710844083.db2.gz VWNFQZMOQZAXSZ-AWEZNQCLSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001046324089 710859896 /nfs/dbraw/zinc/85/98/96/710859896.db2.gz HXJAYHGIJSUFCL-YUTCNCBUSA-N 1 0 248.326 0.237 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1C ZINC001054377915 710932688 /nfs/dbraw/zinc/93/26/88/710932688.db2.gz QBRGWGVSUPGGHX-JQWIXIFHSA-N 1 0 231.299 0.698 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C ZINC001054377917 710932799 /nfs/dbraw/zinc/93/27/99/710932799.db2.gz QBRGWGVSUPGGHX-ZYHUDNBSSA-N 1 0 231.299 0.698 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccsn2)C[C@H]1C ZINC001054787567 710941407 /nfs/dbraw/zinc/94/14/07/710941407.db2.gz VOLQPPKBTPQWSQ-KOLCDFICSA-N 1 0 249.339 0.826 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2(C)CC2)C[C@@H]1C ZINC001054670729 710941470 /nfs/dbraw/zinc/94/14/70/710941470.db2.gz INECSWIOOBJJTE-WDEREUQCSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccns2)C[C@@H]1C ZINC001054708608 710941576 /nfs/dbraw/zinc/94/15/76/710941576.db2.gz FFPICWUXYJEYAD-UWVGGRQHSA-N 1 0 249.339 0.826 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C ZINC001054963108 710943776 /nfs/dbraw/zinc/94/37/76/710943776.db2.gz WYUJKYFCWHYFND-SCZZXKLOSA-N 1 0 249.318 0.349 20 30 BCEDRO C#CC[NH+]1CCC2(CN(C(=O)COC)C2)CC1 ZINC001050395763 710952152 /nfs/dbraw/zinc/95/21/52/710952152.db2.gz VKWLINQHZIIGAT-UHFFFAOYSA-N 1 0 236.315 0.190 20 30 BCEDRO Cc1ncsc1CCNC1=[NH+]C[C@H](C)N1 ZINC000391257837 711137249 /nfs/dbraw/zinc/13/72/49/711137249.db2.gz GPENZSGPPYSURG-ZETCQYMHSA-N 1 0 224.333 0.931 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc2[nH]ccc2c1 ZINC000397087629 711376787 /nfs/dbraw/zinc/37/67/87/711376787.db2.gz YREGOSFUPFPQTJ-UHFFFAOYSA-N 1 0 201.233 0.985 20 30 BCEDRO CCNC(NC[C@]1(C)CCOC1)=[NH+]CC ZINC000397172830 711377981 /nfs/dbraw/zinc/37/79/81/711377981.db2.gz FLIOJRJIHVTCHT-NSHDSACASA-N 1 0 213.325 0.988 20 30 BCEDRO C=CC[N@@H+]1CCC2(CN(C(=O)c3cc[nH]n3)C2)C1 ZINC001072498685 711378367 /nfs/dbraw/zinc/37/83/67/711378367.db2.gz XXJAFSORVLTEJG-UHFFFAOYSA-N 1 0 246.314 0.744 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC001020512291 711457995 /nfs/dbraw/zinc/45/79/95/711457995.db2.gz VIGYCSFLQKKCJQ-XYPYZODXSA-N 1 0 246.314 0.212 20 30 BCEDRO CNC(NC[C@H](O)CC(C)(C)C)=[NH+]C ZINC000386057538 711485997 /nfs/dbraw/zinc/48/59/97/711485997.db2.gz WRFHTHQUJXORSL-MRVPVSSYSA-N 1 0 201.314 0.578 20 30 BCEDRO CNC(NC[C@@H](O)CC(C)(C)C)=[NH+]C ZINC000386057540 711486082 /nfs/dbraw/zinc/48/60/82/711486082.db2.gz WRFHTHQUJXORSL-QMMMGPOBSA-N 1 0 201.314 0.578 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000971024707 711494878 /nfs/dbraw/zinc/49/48/78/711494878.db2.gz IUSZYNYGBVGACJ-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000971024708 711494980 /nfs/dbraw/zinc/49/49/80/711494980.db2.gz IUSZYNYGBVGACJ-RYUDHWBXSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CC[N@@H+](C[C@](C)(O)C(=O)OC)C(C)(C)C ZINC000723033711 711496763 /nfs/dbraw/zinc/49/67/63/711496763.db2.gz MJTHAZQDSDAGKS-LBPRGKRZSA-N 1 0 227.304 0.644 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC000971158198 711500974 /nfs/dbraw/zinc/50/09/74/711500974.db2.gz SLZLGKDWCZXYDQ-WDEREUQCSA-N 1 0 224.304 0.187 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2OCC)C1 ZINC001021856903 711507217 /nfs/dbraw/zinc/50/72/17/711507217.db2.gz PRGBDVPORVTKEP-WRWGMCAJSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CCC1([NH2+][C@H]2CCN(C)C2=O)CCC1 ZINC000933302718 711515639 /nfs/dbraw/zinc/51/56/39/711515639.db2.gz WCSGJQYGPPAYSN-JTQLQIEISA-N 1 0 206.289 0.753 20 30 BCEDRO C#CCNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000891567638 711536400 /nfs/dbraw/zinc/53/64/00/711536400.db2.gz KJELZEKWQVTCFO-SNVBAGLBSA-N 1 0 209.293 0.355 20 30 BCEDRO C#CCNC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000891567637 711536408 /nfs/dbraw/zinc/53/64/08/711536408.db2.gz KJELZEKWQVTCFO-JTQLQIEISA-N 1 0 209.293 0.355 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001022257279 711538848 /nfs/dbraw/zinc/53/88/48/711538848.db2.gz OPPXERPHJPGBQY-DTORHVGOSA-N 1 0 248.286 0.219 20 30 BCEDRO CCCCNC(=[NH2+])NCc1cncn1C ZINC000290751379 711539092 /nfs/dbraw/zinc/53/90/92/711539092.db2.gz YGNAPOCICFBRPI-UHFFFAOYSA-N 1 0 209.297 0.625 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccnnc2C)C1 ZINC001022369747 711550700 /nfs/dbraw/zinc/55/07/00/711550700.db2.gz OEBIWIMKSPDGDM-PHIMTYICSA-N 1 0 246.314 0.821 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]2[C@H]1CCCN2CCO ZINC000934261249 711579374 /nfs/dbraw/zinc/57/93/74/711579374.db2.gz DJGJDURTNBTLHD-CHWSQXEVSA-N 1 0 222.332 0.541 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnon2)C1 ZINC001022871308 711599675 /nfs/dbraw/zinc/59/96/75/711599675.db2.gz NJZJWCVEJBAUDG-OCAPTIKFSA-N 1 0 222.248 0.106 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000724622628 711600595 /nfs/dbraw/zinc/60/05/95/711600595.db2.gz JFCXJRISDCJCKH-VPOLOUISSA-N 1 0 210.277 0.682 20 30 BCEDRO N#Cc1cncc(C[N@@H+](CCO)CCCO)c1 ZINC000721554827 711623482 /nfs/dbraw/zinc/62/34/82/711623482.db2.gz DUUUJPBPOREWDY-UHFFFAOYSA-N 1 0 235.287 0.130 20 30 BCEDRO C#C[C@@H]([NH2+]CC#CCOC)[C@@H]1CCCO1 ZINC000308950150 711653816 /nfs/dbraw/zinc/65/38/16/711653816.db2.gz OUGCFKXRVXSLJB-NEPJUHHUSA-N 1 0 207.273 0.407 20 30 BCEDRO C=C(Cl)CNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000309644876 711659547 /nfs/dbraw/zinc/65/95/47/711659547.db2.gz PXKGVVQVKOIZCL-SECBINFHSA-N 1 0 232.711 0.624 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)[C@H]1CCCO1 ZINC000393750007 711677186 /nfs/dbraw/zinc/67/71/86/711677186.db2.gz BLHZXMFYQJRZQN-GARJFASQSA-N 1 0 224.304 0.234 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC001038048012 711690327 /nfs/dbraw/zinc/69/03/27/711690327.db2.gz RBGJDQYJGYIYFR-GFCCVEGCSA-N 1 0 246.314 0.248 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1 ZINC001038048014 711690385 /nfs/dbraw/zinc/69/03/85/711690385.db2.gz RBGJDQYJGYIYFR-LBPRGKRZSA-N 1 0 246.314 0.248 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)NC(=O)NC ZINC000395134781 711692525 /nfs/dbraw/zinc/69/25/25/711692525.db2.gz HVKTXBXKLCFHJH-GZMMTYOYSA-N 1 0 225.292 0.222 20 30 BCEDRO CCNC(NCC(C)(C)CCO)=[NH+]CC ZINC000395751701 711697114 /nfs/dbraw/zinc/69/71/14/711697114.db2.gz WZKHDPKVRAGOFM-UHFFFAOYSA-N 1 0 215.341 0.970 20 30 BCEDRO CCC[C@H](O)CNC(NCC)=[NH+]CC ZINC000395809039 711697542 /nfs/dbraw/zinc/69/75/42/711697542.db2.gz IQMNXIXWFIUOKA-VIFPVBQESA-N 1 0 201.314 0.722 20 30 BCEDRO C#CCSCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309771404 711700928 /nfs/dbraw/zinc/70/09/28/711700928.db2.gz KNHOJNPMHIQWPH-JTQLQIEISA-N 1 0 240.372 1.000 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccc([N+](=O)[O-])cc1 ZINC000092492625 711705895 /nfs/dbraw/zinc/70/58/95/711705895.db2.gz SCEKVDZBGLEGQH-UHFFFAOYSA-N 1 0 247.254 0.434 20 30 BCEDRO C#CC[NH2+]C1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC001026458801 711706133 /nfs/dbraw/zinc/70/61/33/711706133.db2.gz DXCUOKGECQJQGD-UHFFFAOYSA-N 1 0 246.314 0.674 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C2CC2)C1 ZINC001027260846 711721968 /nfs/dbraw/zinc/72/19/68/711721968.db2.gz ODRUPXXTQPWWAP-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)COC)C1 ZINC001027258171 711722439 /nfs/dbraw/zinc/72/24/39/711722439.db2.gz JRJIRTMPPJSKKT-NSHDSACASA-N 1 0 224.304 0.189 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)COC)C1 ZINC001027258040 711722548 /nfs/dbraw/zinc/72/25/48/711722548.db2.gz IMNVZWVZWBPMTF-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)NCCC#N ZINC000335290799 711723141 /nfs/dbraw/zinc/72/31/41/711723141.db2.gz LIQGCQCQRWREST-NSHDSACASA-N 1 0 238.335 0.882 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ccncc1[N+](=O)[O-] ZINC000385476737 711723446 /nfs/dbraw/zinc/72/34/46/711723446.db2.gz DPTUXAHMFYOXQV-UHFFFAOYSA-N 1 0 248.286 0.779 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CSC)C1 ZINC001027284679 711724504 /nfs/dbraw/zinc/72/45/04/711724504.db2.gz NLDVZZQVWXOCLH-LLVKDONJSA-N 1 0 240.372 0.905 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)C(F)F)C1 ZINC001009813731 711731733 /nfs/dbraw/zinc/73/17/33/711731733.db2.gz JHBMLOSZDGAIKS-MRVPVSSYSA-N 1 0 216.231 0.465 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc(C)o1 ZINC000841661653 711738696 /nfs/dbraw/zinc/73/86/96/711738696.db2.gz NJGYQKOEYSRQHV-UHFFFAOYSA-N 1 0 206.249 0.861 20 30 BCEDRO c1ccc2c(c1)OCC2=NNC1=[NH+]CCN1 ZINC000841661649 711739166 /nfs/dbraw/zinc/73/91/66/711739166.db2.gz YTXMOXGTKOVBTN-UHFFFAOYSA-N 1 0 216.244 0.332 20 30 BCEDRO C=C(C)C[N@@H+](CCCO)CC(OC)OC ZINC000180642774 711775767 /nfs/dbraw/zinc/77/57/67/711775767.db2.gz OBIZBFQBPBAGRP-UHFFFAOYSA-N 1 0 217.309 0.866 20 30 BCEDRO C=CCOCCCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928564060 711778363 /nfs/dbraw/zinc/77/83/63/711778363.db2.gz QYCSWKYVUVPRIY-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2n[nH]nc2C)[C@@H]1C ZINC000986646708 711789661 /nfs/dbraw/zinc/78/96/61/711789661.db2.gz YFWVXWXBICXQGT-NXEZZACHSA-N 1 0 249.318 0.492 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccnc2)C1 ZINC000987804351 711792310 /nfs/dbraw/zinc/79/23/10/711792310.db2.gz UYVHAHZPDDWANS-DGCLKSJQSA-N 1 0 243.310 0.907 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc[nH]n2)C1 ZINC000988163426 711793019 /nfs/dbraw/zinc/79/30/19/711793019.db2.gz FINFBEPJWPGVGN-ZJUUUORDSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccnn2C)C1 ZINC000988338355 711793600 /nfs/dbraw/zinc/79/36/00/711793600.db2.gz TVHMQQAPQKAPCY-QWRGUYRKSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cn(C)cn2)C1 ZINC000988621649 711796025 /nfs/dbraw/zinc/79/60/25/711796025.db2.gz LBIPTYCTQLJCNU-GHMZBOCLSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cn(C)cn2)C1 ZINC000988621655 711796028 /nfs/dbraw/zinc/79/60/28/711796028.db2.gz LBIPTYCTQLJCNU-WDEREUQCSA-N 1 0 246.314 0.246 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnnn2C)C1 ZINC000988768250 711796759 /nfs/dbraw/zinc/79/67/59/711796759.db2.gz XBCQMZPRAMHGKA-VHSXEESVSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000079264469 711797284 /nfs/dbraw/zinc/79/72/84/711797284.db2.gz OTQHKVXZEDPIHV-LBPRGKRZSA-N 1 0 235.331 0.889 20 30 BCEDRO N#CC1(CNC(=O)C2C[NH+]([C@@H]3CCOC3)C2)CC1 ZINC000897635672 711798679 /nfs/dbraw/zinc/79/86/79/711798679.db2.gz GOPLVBJTVCNAJQ-LLVKDONJSA-N 1 0 249.314 0.127 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1C ZINC001038111376 711798699 /nfs/dbraw/zinc/79/86/99/711798699.db2.gz IPCQLXQEZXOAJF-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CSC[C@@H]1C ZINC000379573806 711803630 /nfs/dbraw/zinc/80/36/30/711803630.db2.gz JGIXTFMGBDYHMV-IUCAKERBSA-N 1 0 212.318 0.077 20 30 BCEDRO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3nc[nH]n3)[C@@H]2C1 ZINC001076375526 711805018 /nfs/dbraw/zinc/80/50/18/711805018.db2.gz LFZILKRDMINZFF-VHSXEESVSA-N 1 0 247.302 0.137 20 30 BCEDRO C#CCCC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000161119228 711810650 /nfs/dbraw/zinc/81/06/50/711810650.db2.gz KIBSYSFZHXUUNV-WDEREUQCSA-N 1 0 208.305 0.986 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccc[nH]1 ZINC000913515537 711823377 /nfs/dbraw/zinc/82/33/77/711823377.db2.gz BFUUZSNQKWJULY-UHFFFAOYSA-N 1 0 205.261 0.310 20 30 BCEDRO C/C=C/C=C/C(=O)NCC#CC[NH+](C)C ZINC000913514645 711823443 /nfs/dbraw/zinc/82/34/43/711823443.db2.gz XOTXZTKVKOYUDB-HSKKLARCSA-N 1 0 206.289 0.800 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cccnc1 ZINC000913514307 711823487 /nfs/dbraw/zinc/82/34/87/711823487.db2.gz LSBRSXYSHZRMLB-UHFFFAOYSA-N 1 0 217.272 0.376 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Cc1ccsc1 ZINC000913514564 711823651 /nfs/dbraw/zinc/82/36/51/711823651.db2.gz VDXQHTNUFZIMBR-UHFFFAOYSA-N 1 0 236.340 0.972 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)COc1ccccc1 ZINC000913514504 711823654 /nfs/dbraw/zinc/82/36/54/711823654.db2.gz RWTATZUNGGPEBE-UHFFFAOYSA-N 1 0 246.310 0.747 20 30 BCEDRO Cc1occc1C(=O)NCC#CC[NH+](C)C ZINC000913515682 711823735 /nfs/dbraw/zinc/82/37/35/711823735.db2.gz IODUFDWRQKKASH-UHFFFAOYSA-N 1 0 220.272 0.883 20 30 BCEDRO C#CCC(C)(C)C(=O)NCC#CC[NH+](C)C ZINC000913520895 711823894 /nfs/dbraw/zinc/82/38/94/711823894.db2.gz CFUGIULAHNQEHQ-UHFFFAOYSA-N 1 0 220.316 0.717 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@]1(C)CCCOC1 ZINC000913520969 711824066 /nfs/dbraw/zinc/82/40/66/711824066.db2.gz GOWFIPQKPRIURN-CYBMUJFWSA-N 1 0 238.331 0.484 20 30 BCEDRO CCOCCCNC(=[NH2+])NCc1cc(C)no1 ZINC000170911870 711837904 /nfs/dbraw/zinc/83/79/04/711837904.db2.gz PESWCHAPGXLBBK-UHFFFAOYSA-N 1 0 240.307 0.814 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]nnc1C ZINC001038583134 711877801 /nfs/dbraw/zinc/87/78/01/711877801.db2.gz SFGPHHIWAHMCIX-SNVBAGLBSA-N 1 0 249.318 0.493 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995774277 711910758 /nfs/dbraw/zinc/91/07/58/711910758.db2.gz FVSRGVOFVGQIAK-CYBMUJFWSA-N 1 0 244.338 0.860 20 30 BCEDRO N#Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000085283633 711931902 /nfs/dbraw/zinc/93/19/02/711931902.db2.gz OWZIWVDNYQTCGF-AOOOYVTPSA-N 1 0 214.272 0.609 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc[nH]c2)C1 ZINC000999226782 711932139 /nfs/dbraw/zinc/93/21/39/711932139.db2.gz FVMCQCVEGJFLCZ-GFCCVEGCSA-N 1 0 231.299 0.842 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC000999204502 711932501 /nfs/dbraw/zinc/93/25/01/711932501.db2.gz UPVDYWIHLOIVNW-OBJOEFQTSA-N 1 0 248.326 0.237 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)COC)C[C@H]1C ZINC001054303756 711946185 /nfs/dbraw/zinc/94/61/85/711946185.db2.gz RNMCYHRACXJOGY-NXEZZACHSA-N 1 0 212.293 0.255 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@H]1C ZINC001054305606 711946281 /nfs/dbraw/zinc/94/62/81/711946281.db2.gz MDDTYSYKTHNGIH-HTQZYQBOSA-N 1 0 216.231 0.321 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1C ZINC001054644886 711946976 /nfs/dbraw/zinc/94/69/76/711946976.db2.gz UUKJRMLFKUZFAC-VHSXEESVSA-N 1 0 232.287 0.093 20 30 BCEDRO CC#CC[N@H+]1CC[C@H](N(C)C(=O)CC)C1 ZINC001032846014 711962002 /nfs/dbraw/zinc/96/20/02/711962002.db2.gz JRUBKKFCIJWYCU-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCN1CC[C@@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032945230 711969267 /nfs/dbraw/zinc/96/92/67/711969267.db2.gz OTRWRORIHXWSRQ-OLZOCXBDSA-N 1 0 249.358 0.247 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cocn2)C1 ZINC001032956860 711969590 /nfs/dbraw/zinc/96/95/90/711969590.db2.gz KGAFIMCIUODSJS-NSHDSACASA-N 1 0 247.298 0.844 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)c2)C1 ZINC001033007377 711971113 /nfs/dbraw/zinc/97/11/13/711971113.db2.gz BFUZPSHWNZEWTE-CYBMUJFWSA-N 1 0 245.326 0.805 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cncnc2)C1 ZINC001033034195 711971673 /nfs/dbraw/zinc/97/16/73/711971673.db2.gz VTVIFBXXLKUFFV-GFCCVEGCSA-N 1 0 246.314 0.809 20 30 BCEDRO C[C@H](CO)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000037888812 711974373 /nfs/dbraw/zinc/97/43/73/711974373.db2.gz QSOBVKIVTUFGET-BXKDBHETSA-N 1 0 220.272 0.562 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CC23CC3)C1 ZINC001033450124 711992043 /nfs/dbraw/zinc/99/20/43/711992043.db2.gz RDDGBMLNESBPHZ-NWDGAFQWSA-N 1 0 232.327 0.952 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2nnc[nH]2)C1 ZINC001033563399 712004404 /nfs/dbraw/zinc/00/44/04/712004404.db2.gz WARHXFBTGGOFPR-SNVBAGLBSA-N 1 0 249.318 0.066 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001033655479 712010553 /nfs/dbraw/zinc/01/05/53/712010553.db2.gz HYPVOINGXWSFDG-LLVKDONJSA-N 1 0 248.330 0.752 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000701036751 712012987 /nfs/dbraw/zinc/01/29/87/712012987.db2.gz YZTAITBAQHMCRV-DGORSVRFSA-N 1 0 238.331 0.526 20 30 BCEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000701033174 712013158 /nfs/dbraw/zinc/01/31/58/712013158.db2.gz ADBLVBUXQWSBKH-GUDRVLHUSA-N 1 0 239.319 0.418 20 30 BCEDRO C#CCN1CC[C@H](N(CC)C(=O)c2ncc[nH]2)C1 ZINC001033832746 712022983 /nfs/dbraw/zinc/02/29/83/712022983.db2.gz RZHXAYSWNHBDSA-NSHDSACASA-N 1 0 246.314 0.579 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701883862 712032176 /nfs/dbraw/zinc/03/21/76/712032176.db2.gz CFKJVBOWPOIPLI-ZDUSSCGKSA-N 1 0 234.299 0.964 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702295162 712043247 /nfs/dbraw/zinc/04/32/47/712043247.db2.gz GEVFPVBDBWQILT-GHMZBOCLSA-N 1 0 221.304 0.843 20 30 BCEDRO C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC001034679437 712078821 /nfs/dbraw/zinc/07/88/21/712078821.db2.gz PQEVEUWGUULVRR-MGCOHNPYSA-N 1 0 247.302 0.069 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)[C@H]([NH3+])CCOC)C1 ZINC000703629418 712081097 /nfs/dbraw/zinc/08/10/97/712081097.db2.gz FHZUQPOXHFBZLJ-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CC[C@H](NC(=O)C(N)=O)CC1 ZINC001034720829 712082151 /nfs/dbraw/zinc/08/21/51/712082151.db2.gz KWIRRNSWFDBTBV-MGCOHNPYSA-N 1 0 239.319 0.065 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000704338133 712104039 /nfs/dbraw/zinc/10/40/39/712104039.db2.gz IUXZVVORGJLJPA-BBBLOLIVSA-N 1 0 225.292 0.111 20 30 BCEDRO N#Cc1ccc(CC(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000704663904 712112705 /nfs/dbraw/zinc/11/27/05/712112705.db2.gz DAVONFIGWFTZTP-LBPRGKRZSA-N 1 0 229.283 0.660 20 30 BCEDRO C#CC[NH+]1CC2(C1)CCN(C(=O)[C@@H](C)C#N)CC2 ZINC001035673081 712140113 /nfs/dbraw/zinc/14/01/13/712140113.db2.gz LWBJWMVQKBKCPR-LBPRGKRZSA-N 1 0 245.326 0.704 20 30 BCEDRO Cc1nc(C#N)cc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)n1 ZINC000706236471 712143287 /nfs/dbraw/zinc/14/32/87/712143287.db2.gz KZIHMSCMLQAPGN-PHIMTYICSA-N 1 0 243.314 0.655 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)COC)C[C@H]1C ZINC001035871035 712147895 /nfs/dbraw/zinc/14/78/95/712147895.db2.gz UWUQYKORGQBEQE-MNOVXSKESA-N 1 0 226.320 0.645 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnco2)C[C@H]1C ZINC001036136861 712159518 /nfs/dbraw/zinc/15/95/18/712159518.db2.gz SXJGCTPZYVDXNZ-MNOVXSKESA-N 1 0 247.298 0.748 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)C[C@H](C)[NH3+] ZINC000707270011 712167476 /nfs/dbraw/zinc/16/74/76/712167476.db2.gz TUAJBMQSLNAWSV-VIFPVBQESA-N 1 0 228.292 0.301 20 30 BCEDRO C#CC1(O)CCN(CC[NH+]2CCCC2)CC1 ZINC000708114750 712182129 /nfs/dbraw/zinc/18/21/29/712182129.db2.gz DMXZFESYEXWASH-UHFFFAOYSA-N 1 0 222.332 0.542 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000708103569 712182152 /nfs/dbraw/zinc/18/21/52/712182152.db2.gz XMOJQLSMDMKULZ-LBPRGKRZSA-N 1 0 223.316 0.873 20 30 BCEDRO C#CC1(O)CC[NH+]([C@@H](C)CCOC)CC1 ZINC000708152198 712183470 /nfs/dbraw/zinc/18/34/70/712183470.db2.gz MZBYDFACYJILDQ-NSHDSACASA-N 1 0 211.305 0.872 20 30 BCEDRO CCOC(=O)[C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000709426402 712221664 /nfs/dbraw/zinc/22/16/64/712221664.db2.gz GJSAALSHFGLRHW-RKDXNWHRSA-N 1 0 241.291 0.075 20 30 BCEDRO CC(C)C[C@@H](O)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000709439056 712222084 /nfs/dbraw/zinc/22/20/84/712222084.db2.gz MDNGYRUKYYJRAO-MNOVXSKESA-N 1 0 241.335 0.531 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@](C)(O)C(=O)OC)C1 ZINC000709532639 712223860 /nfs/dbraw/zinc/22/38/60/712223860.db2.gz BOQLDPHSLAEENK-ZYHUDNBSSA-N 1 0 225.288 0.256 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2CN(C(=O)CC)CC[C@@H]21 ZINC001036608517 712224077 /nfs/dbraw/zinc/22/40/77/712224077.db2.gz MDRZLUIIUXDWBT-RYUDHWBXSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCNC(=O)CN1CCC(C)([NH+](C)C)CC1 ZINC000709836694 712229366 /nfs/dbraw/zinc/22/93/66/712229366.db2.gz XNLPCAGMSOQPHB-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCCCS(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000710104240 712244768 /nfs/dbraw/zinc/24/47/68/712244768.db2.gz JNTSBZZMNWTOMJ-UHFFFAOYSA-N 1 0 244.360 0.223 20 30 BCEDRO CC[C@@]1(O)CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000710636010 712264440 /nfs/dbraw/zinc/26/44/40/712264440.db2.gz QWGUHGKYALYDJT-GFCCVEGCSA-N 1 0 239.319 0.253 20 30 BCEDRO C=CCCS(=O)(=O)N(C)C[C@@H](C)[NH3+] ZINC000711039958 712275561 /nfs/dbraw/zinc/27/55/61/712275561.db2.gz HLDCPDDRZSAIAU-MRVPVSSYSA-N 1 0 206.311 0.171 20 30 BCEDRO C#CCCS(=O)(=O)N(C)C1CC[NH+](C)CC1 ZINC000711065788 712278022 /nfs/dbraw/zinc/27/80/22/712278022.db2.gz WHPCWZBOMDTCRB-UHFFFAOYSA-N 1 0 244.360 0.366 20 30 BCEDRO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000711158667 712286919 /nfs/dbraw/zinc/28/69/19/712286919.db2.gz HIPQALHGAANQGL-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CCCS(=O)(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000711174527 712287898 /nfs/dbraw/zinc/28/78/98/712287898.db2.gz LYFYEYKBVUNTAY-LLVKDONJSA-N 1 0 246.376 0.659 20 30 BCEDRO CNC(NC[C@H]1CCC2(CCC2)O1)=[NH+]C ZINC000711452345 712301419 /nfs/dbraw/zinc/30/14/19/712301419.db2.gz QVGGMESGDZRMFJ-SECBINFHSA-N 1 0 211.309 0.883 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](CF)C1 ZINC000711501155 712306165 /nfs/dbraw/zinc/30/61/65/712306165.db2.gz CRAFENVXSZSPNL-SNVBAGLBSA-N 1 0 212.268 0.417 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)F)C1 ZINC001079330746 712347102 /nfs/dbraw/zinc/34/71/02/712347102.db2.gz UJOOJIDUNUNPMC-HTQZYQBOSA-N 1 0 218.247 0.874 20 30 BCEDRO C[N@H+](CCn1cnnn1)Cc1cccc(C#N)c1 ZINC000711941193 712339931 /nfs/dbraw/zinc/33/99/31/712339931.db2.gz HWWFLEBMJLVBDN-UHFFFAOYSA-N 1 0 242.286 0.677 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000712263293 712344756 /nfs/dbraw/zinc/34/47/56/712344756.db2.gz GAJXKQXNBJWYDZ-LBPRGKRZSA-N 1 0 229.283 0.992 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001079470692 712349094 /nfs/dbraw/zinc/34/90/94/712349094.db2.gz YJLQFCNYSUZGCZ-GRYCIOLGSA-N 1 0 236.315 0.093 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001079664754 712349543 /nfs/dbraw/zinc/34/95/43/712349543.db2.gz KGZALFQUBVWBKR-GHMZBOCLSA-N 1 0 248.330 0.954 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001079514937 712350065 /nfs/dbraw/zinc/35/00/65/712350065.db2.gz IPBBDUVULROSAL-ZYHUDNBSSA-N 1 0 248.330 0.575 20 30 BCEDRO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001080273325 712352948 /nfs/dbraw/zinc/35/29/48/712352948.db2.gz PQVUOBIGWLMGNO-WHOHXGKFSA-N 1 0 220.316 0.712 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001080505909 712353794 /nfs/dbraw/zinc/35/37/94/712353794.db2.gz JOJZXBSSAFVSCD-GRYCIOLGSA-N 1 0 232.327 0.856 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001080673317 712353936 /nfs/dbraw/zinc/35/39/36/712353936.db2.gz IVYCXDNZTHNHGH-GHMZBOCLSA-N 1 0 248.330 0.575 20 30 BCEDRO COCC(C)(C)[NH2+]CCOCCC#N ZINC000378703207 712358157 /nfs/dbraw/zinc/35/81/57/712358157.db2.gz LIBJVGYFLDUQRE-UHFFFAOYSA-N 1 0 200.282 0.931 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H](O)CC1 ZINC000378752039 712359235 /nfs/dbraw/zinc/35/92/35/712359235.db2.gz VMTITDNMKVSFEQ-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO NC(=[NH2+])NN=C1CCCc2ccc(N)cc21 ZINC000378851322 712366375 /nfs/dbraw/zinc/36/63/75/712366375.db2.gz FSZWNQXLVAIXSM-UHFFFAOYSA-N 1 0 217.276 0.792 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]CC1(F)CC1 ZINC000379630594 712391007 /nfs/dbraw/zinc/39/10/07/712391007.db2.gz MZAOMURGNGJXSO-UHFFFAOYSA-N 1 0 221.297 0.679 20 30 BCEDRO CN1CC[C@H]1C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000712569017 712447031 /nfs/dbraw/zinc/44/70/31/712447031.db2.gz HRAYDDABJCENSQ-KBPBESRZSA-N 1 0 245.326 0.885 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713420106 712459152 /nfs/dbraw/zinc/45/91/52/712459152.db2.gz TXAIDTWNPSVITA-DNIRFERGSA-N 1 0 233.315 0.876 20 30 BCEDRO C#CCCN(C)CC(C)(C)S(C)(=O)=O ZINC000713941439 712474112 /nfs/dbraw/zinc/47/41/12/712474112.db2.gz XRRKILHFVQTQJX-UHFFFAOYSA-N 1 0 217.334 0.765 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC000715134979 712514584 /nfs/dbraw/zinc/51/45/84/712514584.db2.gz YQNPBNLSWAHWCO-RKDXNWHRSA-N 1 0 248.273 0.535 20 30 BCEDRO C=CC[C@H](C)[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000715742622 712531195 /nfs/dbraw/zinc/53/11/95/712531195.db2.gz ZAKLVFWDFPKVCQ-VHSXEESVSA-N 1 0 213.277 0.825 20 30 BCEDRO N#C[C@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000715824327 712534192 /nfs/dbraw/zinc/53/41/92/712534192.db2.gz NQJODXVEMKKGNW-JTQLQIEISA-N 1 0 219.288 0.501 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000716356766 712556080 /nfs/dbraw/zinc/55/60/80/712556080.db2.gz RAZHNMXRSQVZPR-IUCAKERBSA-N 1 0 239.237 0.928 20 30 BCEDRO CNC(NCC[C@@H](O)C(F)(F)F)=[NH+]C ZINC000716764832 712572968 /nfs/dbraw/zinc/57/29/68/712572968.db2.gz LHMGZINLPQUXTM-RXMQYKEDSA-N 1 0 213.203 0.095 20 30 BCEDRO C#CC[C@H](COC)NC[C@@H](O)C[NH+]1CCCC1 ZINC000716826612 712576786 /nfs/dbraw/zinc/57/67/86/712576786.db2.gz AJIVLBKHKWSJKI-CHWSQXEVSA-N 1 0 240.347 0.071 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1snnc1C ZINC000716818947 712577008 /nfs/dbraw/zinc/57/70/08/712577008.db2.gz LNVRYNBZPYUNNO-SECBINFHSA-N 1 0 225.317 0.974 20 30 BCEDRO C#Cc1ccc(CNC[C@]2(O)CC[N@@H+](C)C2)cc1 ZINC000809640689 712584651 /nfs/dbraw/zinc/58/46/51/712584651.db2.gz JELYBEDYXPXTPM-OAHLLOKOSA-N 1 0 244.338 0.824 20 30 BCEDRO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000717272297 712642005 /nfs/dbraw/zinc/64/20/05/712642005.db2.gz UUOLJXUGAYDQJJ-QPUJVOFHSA-N 1 0 238.262 0.529 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(N)cc1C ZINC000379980248 712643514 /nfs/dbraw/zinc/64/35/14/712643514.db2.gz SBGAPLKGWVLUQG-UHFFFAOYSA-N 1 0 205.265 0.784 20 30 BCEDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000717286789 712645081 /nfs/dbraw/zinc/64/50/81/712645081.db2.gz FLRDCYATHCWYKE-GMSGAONNSA-N 1 0 226.301 0.451 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](Nc2cc(=O)n(C)cn2)C1 ZINC000884611646 712647819 /nfs/dbraw/zinc/64/78/19/712647819.db2.gz QQRDADASUYVLDN-LLVKDONJSA-N 1 0 246.314 0.290 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)c1ccccc1 ZINC000717456094 712658856 /nfs/dbraw/zinc/65/88/56/712658856.db2.gz ACSVJPOGIADKIF-VXGBXAGGSA-N 1 0 207.273 0.857 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000717491866 712660014 /nfs/dbraw/zinc/66/00/14/712660014.db2.gz JRQKYYDETJLNIZ-WOPDTQHZSA-N 1 0 238.331 0.883 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c(C)nn(CC)c1C ZINC000717708591 712664304 /nfs/dbraw/zinc/66/43/04/712664304.db2.gz DBKXNMZYTQOZLJ-GFCCVEGCSA-N 1 0 235.331 0.994 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cc(C)nn1C ZINC000717727718 712667682 /nfs/dbraw/zinc/66/76/82/712667682.db2.gz JMCPGVCFCUNTRS-SNVBAGLBSA-N 1 0 207.277 0.202 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)c1cnccn1 ZINC000717778187 712675560 /nfs/dbraw/zinc/67/55/60/712675560.db2.gz YLVBRBPCXBCHME-NXEZZACHSA-N 1 0 205.261 0.511 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)c1ccccc1F ZINC000717785010 712676290 /nfs/dbraw/zinc/67/62/90/712676290.db2.gz AKDDCAWZKUETOT-MFKMUULPSA-N 1 0 237.274 0.833 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H]1CCN(C)[C@@H](C)C1 ZINC000717795728 712678046 /nfs/dbraw/zinc/67/80/46/712678046.db2.gz UUALOVDAGIRADL-SDDRHHMPSA-N 1 0 210.321 0.443 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000717795474 712678118 /nfs/dbraw/zinc/67/81/18/712678118.db2.gz STLJHANFMCRTSY-QJPTWQEYSA-N 1 0 211.305 0.775 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000717795472 712678123 /nfs/dbraw/zinc/67/81/23/712678123.db2.gz STLJHANFMCRTSY-IJLUTSLNSA-N 1 0 211.305 0.775 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]C[C@H]1CCCOC1 ZINC000717794526 712678269 /nfs/dbraw/zinc/67/82/69/712678269.db2.gz NNTUJJXTFSFGAK-NEPJUHHUSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C1CCN(C2CC2)CC1 ZINC000717839985 712686797 /nfs/dbraw/zinc/68/67/97/712686797.db2.gz CCFNWNUOZDXRHQ-LBPRGKRZSA-N 1 0 222.332 0.587 20 30 BCEDRO COC[C@@H](C)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000195523289 712730626 /nfs/dbraw/zinc/73/06/26/712730626.db2.gz MPQPMBMFOSHXRX-VHSXEESVSA-N 1 0 229.324 0.352 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)COCC(C)C ZINC000717894535 712731721 /nfs/dbraw/zinc/73/17/21/712731721.db2.gz FERLUTDAULLQHL-CHWSQXEVSA-N 1 0 243.347 0.384 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)COC(C)C ZINC000717897119 712731960 /nfs/dbraw/zinc/73/19/60/712731960.db2.gz AOIYKCBQTNZVAA-NWDGAFQWSA-N 1 0 229.320 0.136 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000718163640 712750618 /nfs/dbraw/zinc/75/06/18/712750618.db2.gz HKWSEWZFHHTFBH-WRWGMCAJSA-N 1 0 238.331 0.358 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1CSC1 ZINC000718450823 712762423 /nfs/dbraw/zinc/76/24/23/712762423.db2.gz RNGDFQZKGMTQST-UHFFFAOYSA-N 1 0 226.345 0.421 20 30 BCEDRO C[C@H]1[C@H](NC(=O)c2ccc(C#N)cn2)CC[N@@H+]1C ZINC000719361129 712805435 /nfs/dbraw/zinc/80/54/35/712805435.db2.gz CPPNYRLTHGQBPO-GXSJLCMTSA-N 1 0 244.298 0.776 20 30 BCEDRO C[C@H]1[C@@H](Nc2ccnc(C#N)c2)CC[N@@H+]1C ZINC000719604361 712816155 /nfs/dbraw/zinc/81/61/55/712816155.db2.gz UZGAKNLELLHSHW-CABZTGNLSA-N 1 0 216.288 0.880 20 30 BCEDRO CC(C)(O)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000719641277 712819128 /nfs/dbraw/zinc/81/91/28/712819128.db2.gz ZYNRCRFKFQYTPR-SNVBAGLBSA-N 1 0 239.319 0.109 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719652482 712821361 /nfs/dbraw/zinc/82/13/61/712821361.db2.gz BDNPVZCDBATZAB-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C[C@@H]1[C@H](Nc2ccc(C#N)nn2)CC[N@@H+]1C ZINC000719774836 712823787 /nfs/dbraw/zinc/82/37/87/712823787.db2.gz SEWQVSQDWBGIPR-PSASIEDQSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@H]1[C@H](Nc2ccc(C#N)nn2)CC[N@@H+]1C ZINC000719774840 712824164 /nfs/dbraw/zinc/82/41/64/712824164.db2.gz SEWQVSQDWBGIPR-WCBMZHEXSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@H]1[C@@H](Nc2ccncc2C#N)CC[N@@H+]1C ZINC000719774529 712824168 /nfs/dbraw/zinc/82/41/68/712824168.db2.gz QVMCNJZOGHGVKY-ONGXEEELSA-N 1 0 216.288 0.880 20 30 BCEDRO N#CCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720511298 712847789 /nfs/dbraw/zinc/84/77/89/712847789.db2.gz MTYFGMSKHFOTNB-VHSXEESVSA-N 1 0 239.344 0.596 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000720819016 712868120 /nfs/dbraw/zinc/86/81/20/712868120.db2.gz XFQGFLKZDPWYKO-VWYCJHECSA-N 1 0 221.304 0.841 20 30 BCEDRO C[N@@H+]1CCC[C@@H]2[C@H]1CCN2C(=O)CC#N ZINC000720817431 712868326 /nfs/dbraw/zinc/86/83/26/712868326.db2.gz RQXAKFWXUNKYQA-NXEZZACHSA-N 1 0 207.277 0.595 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2C[C@@H](O)C2)cc1 ZINC000720911588 712880226 /nfs/dbraw/zinc/88/02/26/712880226.db2.gz WOSSVSRPYRBEFJ-KWCYVHTRSA-N 1 0 246.310 0.952 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)COC)C[C@H]1CC ZINC001037752368 712886763 /nfs/dbraw/zinc/88/67/63/712886763.db2.gz MXAUFZWBRFIGSF-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CCOC ZINC000380325921 712886795 /nfs/dbraw/zinc/88/67/95/712886795.db2.gz MBFRYQGLWQCUKN-SNVBAGLBSA-N 1 0 235.349 0.602 20 30 BCEDRO C=C(C)CN1CC[NH+](C(C)(C)CO)CC1 ZINC000605420406 343976449 /nfs/dbraw/zinc/97/64/49/343976449.db2.gz HGJPCIMZHLGTHX-UHFFFAOYSA-N 1 0 212.337 0.951 20 30 BCEDRO CC[C@@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000602089212 349435840 /nfs/dbraw/zinc/43/58/40/349435840.db2.gz SPYQLEXJUJTTIU-DJLDLDEBSA-N 1 0 218.260 0.932 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)NC2(C#N)CC2)C1 ZINC000602100643 349440819 /nfs/dbraw/zinc/44/08/19/349440819.db2.gz AYPVNEZNNCQJCB-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO C#CC[NH+]1CCC2(C[C@@H]2C(=O)OC)CC1 ZINC000265063988 398139457 /nfs/dbraw/zinc/13/94/57/398139457.db2.gz NQJVKDLEMNDRSN-SNVBAGLBSA-N 1 0 207.273 0.895 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N2CC(C)(C#N)C2)C1 ZINC000602143067 349451895 /nfs/dbraw/zinc/45/18/95/349451895.db2.gz RTXQXDPBSSMSCM-SNVBAGLBSA-N 1 0 221.304 0.700 20 30 BCEDRO C[NH+](C)CC1(C(=O)N2CC(C)(C#N)C2)CC1 ZINC000602142279 349452018 /nfs/dbraw/zinc/45/20/18/349452018.db2.gz MEXXXQCEPQFXFS-UHFFFAOYSA-N 1 0 221.304 0.700 20 30 BCEDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CC#N)C1(C)C ZINC000602172670 349459402 /nfs/dbraw/zinc/45/94/02/349459402.db2.gz OLQQPDDUWGGYKO-RKDXNWHRSA-N 1 0 209.293 0.745 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)CC#N)C1(C)C ZINC000602172666 349459660 /nfs/dbraw/zinc/45/96/60/349459660.db2.gz OLQQPDDUWGGYKO-BDAKNGLRSA-N 1 0 209.293 0.745 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)C1CC1 ZINC000602158749 349465713 /nfs/dbraw/zinc/46/57/13/349465713.db2.gz FBGIKGALEYFJSN-SECBINFHSA-N 1 0 239.319 0.729 20 30 BCEDRO CC(C)[C@@H](C(=O)N(C)CCC#N)[NH+](C)C ZINC000156239701 136213492 /nfs/dbraw/zinc/21/34/92/136213492.db2.gz YVDQUCXRSAVORJ-JTQLQIEISA-N 1 0 211.309 0.945 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1CCO[C@@](C)(COC)C1 ZINC000626175981 346815418 /nfs/dbraw/zinc/81/54/18/346815418.db2.gz CZOXCWJZNUWEQU-NWDGAFQWSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)CCO)C1=O ZINC000649871224 398154307 /nfs/dbraw/zinc/15/43/07/398154307.db2.gz VKSKVIRVBRLYCD-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C[C@H]1C[N@H+](CC(C)(C)O)CCN1C(=O)CC#N ZINC000408438214 398170187 /nfs/dbraw/zinc/17/01/87/398170187.db2.gz GLTXAMWIIXINNW-JTQLQIEISA-N 1 0 239.319 0.204 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)N(C)C ZINC000308851151 136216931 /nfs/dbraw/zinc/21/69/31/136216931.db2.gz OJOJHERJKMLMDX-LPEHRKFASA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)N(C)C ZINC000308851150 136216946 /nfs/dbraw/zinc/21/69/46/136216946.db2.gz OJOJHERJKMLMDX-IVZWLZJFSA-N 1 0 209.293 0.745 20 30 BCEDRO C=CCCOCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000390525468 398177008 /nfs/dbraw/zinc/17/70/08/398177008.db2.gz GQAYBLHPIATSEA-JTQLQIEISA-N 1 0 212.293 0.433 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)COC(C)C ZINC000571088088 398178187 /nfs/dbraw/zinc/17/81/87/398178187.db2.gz KTGSYBZCXAKHTA-NEPJUHHUSA-N 1 0 231.336 0.547 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H](CC)COC)nn1 ZINC000424290075 398179082 /nfs/dbraw/zinc/17/90/82/398179082.db2.gz BBRLLHDYPITKME-JTQLQIEISA-N 1 0 224.308 0.979 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@](C)(O)c1ccccc1 ZINC000178589545 136217491 /nfs/dbraw/zinc/21/74/91/136217491.db2.gz WXZJYXZURPCFGQ-GFCCVEGCSA-N 1 0 221.304 0.770 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCC(=O)N2)n1 ZINC000602714708 343981029 /nfs/dbraw/zinc/98/10/29/343981029.db2.gz CICVSYZMBKOPAH-NSHDSACASA-N 1 0 230.271 0.321 20 30 BCEDRO Cc1cc(N2CC[C@@H]([NH3+])C2)c(C#N)cn1 ZINC000075563213 178117582 /nfs/dbraw/zinc/11/75/82/178117582.db2.gz GSVSVFVRNRQBSZ-SNVBAGLBSA-N 1 0 202.261 0.799 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC=C(COC)CC1 ZINC000185878338 136220224 /nfs/dbraw/zinc/22/02/24/136220224.db2.gz VYUCJHYEVAFEIQ-NSHDSACASA-N 1 0 238.331 0.956 20 30 BCEDRO N#Cc1cccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000236593662 187328543 /nfs/dbraw/zinc/32/85/43/187328543.db2.gz IZFHPAIZOMSGFX-RYUDHWBXSA-N 1 0 218.256 0.096 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCC[C@H]1F ZINC000515414823 398210711 /nfs/dbraw/zinc/21/07/11/398210711.db2.gz JNSIPYMBUATEAG-TUAOUCFPSA-N 1 0 243.326 0.673 20 30 BCEDRO CC(C)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000576447429 365596788 /nfs/dbraw/zinc/59/67/88/365596788.db2.gz DXSJWQFSBVHKIZ-GFCCVEGCSA-N 1 0 227.352 0.828 20 30 BCEDRO C=CC[C@H](C)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000122475377 136222220 /nfs/dbraw/zinc/22/22/20/136222220.db2.gz UYFOHGVCEMHGMA-UWVGGRQHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@H]([NH3+])C1 ZINC000122411959 136222236 /nfs/dbraw/zinc/22/22/36/136222236.db2.gz NPOOFIYABJYZMD-VIFPVBQESA-N 1 0 218.322 0.315 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000650029278 398223218 /nfs/dbraw/zinc/22/32/18/398223218.db2.gz JAIATEAGHZKXOE-UPJWGTAASA-N 1 0 240.347 0.376 20 30 BCEDRO C=C(C)CN(C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418374088 192029648 /nfs/dbraw/zinc/02/96/48/192029648.db2.gz SCAZNKZPYWOVIA-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO CC(C)[C@H]1CC(N=NC(N)=[NH2+])CS1 ZINC000382096911 361754472 /nfs/dbraw/zinc/75/44/72/361754472.db2.gz FBYUSBAHBUIVMJ-SSDOTTSWSA-N 1 0 200.311 0.987 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000418407850 192033595 /nfs/dbraw/zinc/03/35/95/192033595.db2.gz MDXRBRXBJVBOSK-HBNTYKKESA-N 1 0 241.335 0.350 20 30 BCEDRO CC(C)[N@@H+](Cc1ccc(C#N)o1)C[C@@H](O)CO ZINC000421409255 192331915 /nfs/dbraw/zinc/33/19/15/192331915.db2.gz MGEHMKLJDMWRLH-SNVBAGLBSA-N 1 0 238.287 0.715 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H](C[NH3+])CCCC ZINC000418448295 192035789 /nfs/dbraw/zinc/03/57/89/192035789.db2.gz QOPWUWTYCMMDNG-NXEZZACHSA-N 1 0 229.324 0.350 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)CC#N)C[N@@H+]1C1CC1 ZINC000334494564 136226243 /nfs/dbraw/zinc/22/62/43/136226243.db2.gz ZWPBGBNROMMHGU-BDAKNGLRSA-N 1 0 207.277 0.641 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC([NH3+])(CC)CC ZINC000418439546 192035513 /nfs/dbraw/zinc/03/55/13/192035513.db2.gz OBYFKVJJQAEPKD-SECBINFHSA-N 1 0 229.324 0.350 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000575245047 398238198 /nfs/dbraw/zinc/23/81/98/398238198.db2.gz LAHLRSAIXIDBSK-GHMZBOCLSA-N 1 0 242.319 0.072 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@H]([NH3+])C2)CC2(CC2)C1 ZINC000602420742 349527992 /nfs/dbraw/zinc/52/79/92/349527992.db2.gz FCUARPQYUPJYNH-SECBINFHSA-N 1 0 219.288 0.630 20 30 BCEDRO N#CC1(C(=O)NCC[NH2+]C2CC2)CCC1 ZINC000602427689 349532989 /nfs/dbraw/zinc/53/29/89/349532989.db2.gz IJSCFXQWFVNXKC-UHFFFAOYSA-N 1 0 207.277 0.548 20 30 BCEDRO N#CC1(C(=O)N2CC[C@H](C[NH3+])C2)CC2(CC2)C1 ZINC000602428484 349533037 /nfs/dbraw/zinc/53/30/37/349533037.db2.gz OLESAFFBEUDJIB-SNVBAGLBSA-N 1 0 233.315 0.878 20 30 BCEDRO N#CC1(C(=O)NC2CC[NH2+]CC2)CC2(CC2)C1 ZINC000602423555 349531037 /nfs/dbraw/zinc/53/10/37/349531037.db2.gz ZTVSKGIVUVWLBD-UHFFFAOYSA-N 1 0 233.315 0.939 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2CCC[NH2+]C2)CCC1 ZINC000602423731 349531222 /nfs/dbraw/zinc/53/12/22/349531222.db2.gz DYRZGEZQRFONNV-SECBINFHSA-N 1 0 207.277 0.548 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2CCC[NH2+]2)CCC1 ZINC000602428029 349533320 /nfs/dbraw/zinc/53/33/20/349533320.db2.gz MVNLWAQVMVWJRW-SECBINFHSA-N 1 0 207.277 0.548 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2CCC[NH2+]C2)CC2(CC2)C1 ZINC000602424824 349532514 /nfs/dbraw/zinc/53/25/14/349532514.db2.gz MEOWNZWUYQVJAI-SNVBAGLBSA-N 1 0 233.315 0.939 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CSC ZINC000576578105 365629159 /nfs/dbraw/zinc/62/91/59/365629159.db2.gz FGNHBQCFRZQTFS-BBBLOLIVSA-N 1 0 217.334 0.643 20 30 BCEDRO C[C@@H]1CN(C(=O)C2(C#N)CCC2)CC[C@@H]1[NH3+] ZINC000602434336 349537491 /nfs/dbraw/zinc/53/74/91/349537491.db2.gz PTNMLCLPSOZOBF-ZJUUUORDSA-N 1 0 221.304 0.876 20 30 BCEDRO C[C@H]([C@H](C)[NH2+]CCC#N)N1CCOCC1 ZINC000576627753 365642370 /nfs/dbraw/zinc/64/23/70/365642370.db2.gz CTOIWAPKIKWJFC-WDEREUQCSA-N 1 0 211.309 0.599 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(c2cc(C#N)ncn2)C1 ZINC000576690721 365658704 /nfs/dbraw/zinc/65/87/04/365658704.db2.gz TYEJJQXJFUNPFQ-SNVBAGLBSA-N 1 0 231.303 0.736 20 30 BCEDRO C[NH2+][C@@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000576714226 365667262 /nfs/dbraw/zinc/66/72/62/365667262.db2.gz WUBOTIRWBPMOIV-SNVBAGLBSA-N 1 0 229.239 0.410 20 30 BCEDRO C=C[C@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000381545927 398263248 /nfs/dbraw/zinc/26/32/48/398263248.db2.gz KGVKYOYKIJFAFS-UWVGGRQHSA-N 1 0 212.293 0.446 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cnnc(C)c1 ZINC000294105646 398260004 /nfs/dbraw/zinc/26/00/04/398260004.db2.gz YQGQFDKJWPCPBK-UHFFFAOYSA-N 1 0 246.314 0.470 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cocn1 ZINC000294107893 398260028 /nfs/dbraw/zinc/26/00/28/398260028.db2.gz YWBHAHHIQSEBLA-UHFFFAOYSA-N 1 0 221.260 0.360 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000381604143 398266200 /nfs/dbraw/zinc/26/62/00/398266200.db2.gz PGOSXMWQCFKNRX-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C[C@H](CCC#N)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000602488113 349568984 /nfs/dbraw/zinc/56/89/84/349568984.db2.gz ZLFXTTPDMSBZPO-MXWKQRLJSA-N 1 0 212.293 0.354 20 30 BCEDRO N#CC1(C(=O)N2CC[C@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000602490117 349570134 /nfs/dbraw/zinc/57/01/34/349570134.db2.gz AGPFTAJWEBQWDV-GHMZBOCLSA-N 1 0 233.315 0.891 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000602490125 349571339 /nfs/dbraw/zinc/57/13/39/349571339.db2.gz AGPFTAJWEBQWDV-QWRGUYRKSA-N 1 0 233.315 0.891 20 30 BCEDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C1(C#N)CCC1 ZINC000602492081 349572267 /nfs/dbraw/zinc/57/22/67/349572267.db2.gz LSMJVBQDJCIGCD-ZJUUUORDSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@@H]([NH3+])[C@H](C)NC(=O)Cc1ccc(C#N)nc1 ZINC000602496685 349558932 /nfs/dbraw/zinc/55/89/32/349558932.db2.gz UOLOOOCAHUZCDX-BDAKNGLRSA-N 1 0 232.287 0.348 20 30 BCEDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)C1(C#N)CCC1 ZINC000602514124 349586975 /nfs/dbraw/zinc/58/69/75/349586975.db2.gz MSLYERGULFOIIQ-BDAKNGLRSA-N 1 0 209.293 0.922 20 30 BCEDRO C[NH2+]CCOCCNC(=O)C1(C#N)CCC1 ZINC000602542898 349588136 /nfs/dbraw/zinc/58/81/36/349588136.db2.gz AGKKTLHUUNAAKW-UHFFFAOYSA-N 1 0 225.292 0.032 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000602544279 349588947 /nfs/dbraw/zinc/58/89/47/349588947.db2.gz HGHBRRHBATXFOQ-UWVGGRQHSA-N 1 0 232.349 0.949 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCNC1=O ZINC000602534400 349601996 /nfs/dbraw/zinc/60/19/96/349601996.db2.gz RUAJGEATQLMKFS-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000602534638 349602346 /nfs/dbraw/zinc/60/23/46/349602346.db2.gz KXJDKAWQVIHSGU-SECBINFHSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000602536269 349603583 /nfs/dbraw/zinc/60/35/83/349603583.db2.gz SQOSSAUBHQREKH-JQWIXIFHSA-N 1 0 219.288 0.796 20 30 BCEDRO CC[NH2+][C@@H](C)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000602536416 349603728 /nfs/dbraw/zinc/60/37/28/349603728.db2.gz SVGYHEHHMPVNHH-ONGXEEELSA-N 1 0 209.293 0.747 20 30 BCEDRO CN(CCOCC[NH3+])C(=O)C1(C#N)CCC1 ZINC000602550168 349592182 /nfs/dbraw/zinc/59/21/82/349592182.db2.gz IDEDIEBQIFZLMF-UHFFFAOYSA-N 1 0 225.292 0.114 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCOCCC#N ZINC000378864448 346849071 /nfs/dbraw/zinc/84/90/71/346849071.db2.gz XJPBMAXDBDDVRP-NXEZZACHSA-N 1 0 225.292 0.031 20 30 BCEDRO C#CCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000085226697 166175080 /nfs/dbraw/zinc/17/50/80/166175080.db2.gz KTSBDQKVEXRZMV-QWRGUYRKSA-N 1 0 223.320 0.601 20 30 BCEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]CCO ZINC000602585665 349612007 /nfs/dbraw/zinc/61/20/07/349612007.db2.gz GYEUPDXCKSXFFK-JTQLQIEISA-N 1 0 212.293 0.667 20 30 BCEDRO CC(C)(F)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000602579781 349607415 /nfs/dbraw/zinc/60/74/15/349607415.db2.gz GXIPSRRCXRWWQT-QMMMGPOBSA-N 1 0 215.272 0.872 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@@]1(O)CCOC1 ZINC000602582437 349610065 /nfs/dbraw/zinc/61/00/65/349610065.db2.gz PIYCJHNQDHITGT-QWRGUYRKSA-N 1 0 212.293 0.667 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC000600179061 342696851 /nfs/dbraw/zinc/69/68/51/342696851.db2.gz HCBMOTIPRZIJFD-GHMZBOCLSA-N 1 0 212.293 0.355 20 30 BCEDRO Cn1nnc(CN2CCC(CCC#N)CC2)n1 ZINC000399745011 342742375 /nfs/dbraw/zinc/74/23/75/342742375.db2.gz MTBHVBLDXCWWHW-UHFFFAOYSA-N 1 0 234.307 0.726 20 30 BCEDRO CN(C(=O)NCC(C)(C)C#N)C1CC([NH3+])C1 ZINC000335605666 136236511 /nfs/dbraw/zinc/23/65/11/136236511.db2.gz WPWPYTAXPNRPBQ-UHFFFAOYSA-N 1 0 224.308 0.667 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000616156957 398279843 /nfs/dbraw/zinc/27/98/43/398279843.db2.gz QLTSEYAKCVNSAK-YPMHNXCESA-N 1 0 240.347 0.865 20 30 BCEDRO C[C@@H](C#N)C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000309593407 342729260 /nfs/dbraw/zinc/72/92/60/342729260.db2.gz VMYQDIWASURVHD-VHSXEESVSA-N 1 0 219.292 0.674 20 30 BCEDRO CNC(=[NH2+])NCCN(C)C(=O)OC(C)(C)C ZINC000066246511 342730537 /nfs/dbraw/zinc/73/05/37/342730537.db2.gz ANDANKYKVGAMFL-UHFFFAOYSA-N 1 0 230.312 0.387 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)CC(F)(F)F ZINC000320641441 342734485 /nfs/dbraw/zinc/73/44/85/342734485.db2.gz MVWSMFZHYUKSQY-HTQZYQBOSA-N 1 0 227.226 0.826 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)COC(C)C ZINC000321417409 342759140 /nfs/dbraw/zinc/75/91/40/342759140.db2.gz KBOXGROWFLYSCU-MNOVXSKESA-N 1 0 217.309 0.299 20 30 BCEDRO CCOC(=O)[C@@H](C)[C@H](C)[NH2+]CC#CCOC ZINC000309643391 342774986 /nfs/dbraw/zinc/77/49/86/342774986.db2.gz LHXUZWSZCNXJEJ-QWRGUYRKSA-N 1 0 227.304 0.814 20 30 BCEDRO C=CCCN1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000309653249 342776424 /nfs/dbraw/zinc/77/64/24/342776424.db2.gz ULGSOBCJJRTAFN-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@H](O)COCC ZINC000321091296 342750711 /nfs/dbraw/zinc/75/07/11/342750711.db2.gz DLSWSTMRMATHJF-MNOVXSKESA-N 1 0 217.309 0.301 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)C[N@H+](C)C1CCC1 ZINC000630012552 361898149 /nfs/dbraw/zinc/89/81/49/361898149.db2.gz ZCDVSQKYYPYSCA-LLVKDONJSA-N 1 0 238.331 0.361 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]C1CCC(C#N)CC1 ZINC000602567393 349619607 /nfs/dbraw/zinc/61/96/07/349619607.db2.gz CTWIAOUIMRLKSW-IDKOKCKLSA-N 1 0 209.293 0.922 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NCC1([NH3+])CCC1 ZINC000418507874 192044672 /nfs/dbraw/zinc/04/46/72/192044672.db2.gz JIKRHHFRRGNPLP-JTQLQIEISA-N 1 0 241.335 0.352 20 30 BCEDRO COC[C@](C)(O)C[NH2+]C[C@H](C)CCC#N ZINC000602568869 349620259 /nfs/dbraw/zinc/62/02/59/349620259.db2.gz YTEXAFPLFHRGSE-GHMZBOCLSA-N 1 0 214.309 0.913 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)NC1(C(F)F)CC1 ZINC000602573526 349623507 /nfs/dbraw/zinc/62/35/07/349623507.db2.gz REZBIFNKBUYMTC-ZETCQYMHSA-N 1 0 231.246 0.921 20 30 BCEDRO N#CCc1cccc2c1CCN(C(=O)C[NH3+])C2 ZINC000602574899 349623802 /nfs/dbraw/zinc/62/38/02/349623802.db2.gz GLXUAKFFVNGDMP-UHFFFAOYSA-N 1 0 229.283 0.596 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H](C#N)C2CC2)C1 ZINC000336470456 342806539 /nfs/dbraw/zinc/80/65/39/342806539.db2.gz AZUWBVQTBAGLBJ-UWVGGRQHSA-N 1 0 207.277 0.356 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCn2nccc21 ZINC000602603435 349626028 /nfs/dbraw/zinc/62/60/28/349626028.db2.gz AKTXIKDOUSWQSL-SNVBAGLBSA-N 1 0 247.302 0.641 20 30 BCEDRO CC[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000602603404 349626340 /nfs/dbraw/zinc/62/63/40/349626340.db2.gz RPNUBNBCCKYRKV-GUBZILKMSA-N 1 0 209.293 0.874 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)CS(=O)(=O)CC ZINC000380038899 538984227 /nfs/dbraw/zinc/98/42/27/538984227.db2.gz SXGPNAQYCGBOLA-SNVBAGLBSA-N 1 0 235.349 0.602 20 30 BCEDRO N#Cc1cccc2c1CN(C(=O)C[NH3+])C2 ZINC000405115678 398294380 /nfs/dbraw/zinc/29/43/80/398294380.db2.gz RVGHNYQNEKKEFN-UHFFFAOYSA-N 1 0 201.229 0.359 20 30 BCEDRO COCC#CCN[C@H](CCO)c1ccco1 ZINC000381656081 539005695 /nfs/dbraw/zinc/00/56/95/539005695.db2.gz FHAOREDIKYEOGE-LLVKDONJSA-N 1 0 223.272 0.943 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CCN(C)C[C@@H]1C ZINC000335860801 398300689 /nfs/dbraw/zinc/30/06/89/398300689.db2.gz DZEGXNXAODFRKV-CMPLNLGQSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@H]([NH3+])CC ZINC000417892892 398302174 /nfs/dbraw/zinc/30/21/74/398302174.db2.gz RDYZZGSHEJHLBM-SNVBAGLBSA-N 1 0 229.324 0.616 20 30 BCEDRO C#CCNC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173892362 166176756 /nfs/dbraw/zinc/17/67/56/166176756.db2.gz PGCKFBPRXZLGMH-GHMZBOCLSA-N 1 0 223.320 0.744 20 30 BCEDRO COC[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000164993728 342864567 /nfs/dbraw/zinc/86/45/67/342864567.db2.gz PRCHUQUTGXYYJQ-SNVBAGLBSA-N 1 0 211.309 0.599 20 30 BCEDRO C[NH2+]CCNC(=O)NCc1ccc(C#N)cc1 ZINC000417715727 398307500 /nfs/dbraw/zinc/30/75/00/398307500.db2.gz DYMCZCOUUPXVOV-UHFFFAOYSA-N 1 0 232.287 0.577 20 30 BCEDRO Cc1cc(C[NH+]2C[C@@H](O)[C@H](O)C2)ccc1C#N ZINC000489049886 398307503 /nfs/dbraw/zinc/30/75/03/398307503.db2.gz YJPBABQGESCAJQ-CHWSQXEVSA-N 1 0 232.283 0.404 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)NCC[NH+]1CCC1 ZINC000329656548 136244561 /nfs/dbraw/zinc/24/45/61/136244561.db2.gz MOXNJMZETRYIFV-QWRGUYRKSA-N 1 0 236.319 0.888 20 30 BCEDRO CC(C)(C#N)CCCC[NH2+]C(CO)CO ZINC000232532433 342856634 /nfs/dbraw/zinc/85/66/34/342856634.db2.gz JVTZJQMOGIVDPU-UHFFFAOYSA-N 1 0 214.309 0.649 20 30 BCEDRO CC[C@H](CC#N)[NH2+][C@H](C)Cn1cncn1 ZINC000602611429 349634784 /nfs/dbraw/zinc/63/47/84/349634784.db2.gz LMFKFDJOEVJEOR-NXEZZACHSA-N 1 0 207.281 0.948 20 30 BCEDRO C[C@H](CC[NH+](C)C)Nc1ccnc(C#N)n1 ZINC000380732806 398320440 /nfs/dbraw/zinc/32/04/40/398320440.db2.gz QOYUACWCBPJJOG-SECBINFHSA-N 1 0 219.292 0.522 20 30 BCEDRO CC#CCN1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000336483450 398320662 /nfs/dbraw/zinc/32/06/62/398320662.db2.gz LQPSTKQDONMGTH-LLVKDONJSA-N 1 0 229.345 0.909 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418562134 192050780 /nfs/dbraw/zinc/05/07/80/192050780.db2.gz TXACXDCMAUKKGE-GMTAPVOTSA-N 1 0 241.335 0.221 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+]CC(C)(C)C#N ZINC000602612955 349636624 /nfs/dbraw/zinc/63/66/24/349636624.db2.gz KBXOMUGVRCILCU-SECBINFHSA-N 1 0 207.281 0.806 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000351572205 136247222 /nfs/dbraw/zinc/24/72/22/136247222.db2.gz CILXOSUKNCCGKR-JTQLQIEISA-N 1 0 238.287 0.828 20 30 BCEDRO CCN(CCO)CC[NH2+]C1CCC(C#N)CC1 ZINC000602617229 349639073 /nfs/dbraw/zinc/63/90/73/349639073.db2.gz BMSHFRXAOSQGNW-UHFFFAOYSA-N 1 0 239.363 0.973 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1C(=O)NCCCC#N ZINC000260061757 349639170 /nfs/dbraw/zinc/63/91/70/349639170.db2.gz PMYXAHZGUIPUCD-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCC[C@H]1C#N ZINC000602600966 349647590 /nfs/dbraw/zinc/64/75/90/349647590.db2.gz IFOQQAHRVLJWFN-XWLWVQCSSA-N 1 0 221.304 0.874 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000602594666 349643002 /nfs/dbraw/zinc/64/30/02/349643002.db2.gz ZSZQRNNXCGQEDH-IMSYWVGJSA-N 1 0 207.277 0.212 20 30 BCEDRO N#CC1(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)CCC1 ZINC000602596802 349644510 /nfs/dbraw/zinc/64/45/10/349644510.db2.gz ROMQGXUZKLRYIN-AOOOYVTPSA-N 1 0 219.288 0.643 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C(=O)OC ZINC000602598301 349645223 /nfs/dbraw/zinc/64/52/23/349645223.db2.gz AZWIPTZIZVCSHB-AEJSXWLSSA-N 1 0 240.303 0.348 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@H]([NH3+])CC)C(=O)OC ZINC000602598339 349645239 /nfs/dbraw/zinc/64/52/39/349645239.db2.gz BHTHUMDJJFZOEV-RKDXNWHRSA-N 1 0 228.292 0.348 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@H]1CCC[NH2+]1)C(=O)OC ZINC000602599610 349645819 /nfs/dbraw/zinc/64/58/19/349645819.db2.gz JKEPVJBIUIPSEI-ZJUUUORDSA-N 1 0 240.303 0.362 20 30 BCEDRO CN(C(=O)C[NH2+]C1CC1)[C@H]1CCC[C@H]1C#N ZINC000602599930 349645961 /nfs/dbraw/zinc/64/59/61/349645961.db2.gz CRWZZFQWNHQUBV-ONGXEEELSA-N 1 0 221.304 0.889 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCCOC(=O)NC(N)=O ZINC000496569565 529448019 /nfs/dbraw/zinc/44/80/19/529448019.db2.gz JTZPIUQYTVBSTA-QMMMGPOBSA-N 1 0 242.279 0.463 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@@H](C)[NH2+]CC ZINC000418605371 192054527 /nfs/dbraw/zinc/05/45/27/192054527.db2.gz TVLQZPYHNIZYMF-SNVBAGLBSA-N 1 0 211.309 0.649 20 30 BCEDRO C[C@@H](Cn1cncn1)[NH2+]CC1(C#N)CC1 ZINC000602643759 349655921 /nfs/dbraw/zinc/65/59/21/349655921.db2.gz SUEJMLSMQPIECN-VIFPVBQESA-N 1 0 205.265 0.560 20 30 BCEDRO COCC[C@H](CO)[NH2+]C[C@H](C)CCC#N ZINC000602655443 349661771 /nfs/dbraw/zinc/66/17/71/349661771.db2.gz KSTFGADYOBRWPU-GHMZBOCLSA-N 1 0 214.309 0.913 20 30 BCEDRO CNS(=O)(=O)CC[NH2+]C[C@H](C)CCC#N ZINC000602626997 349664448 /nfs/dbraw/zinc/66/44/48/349664448.db2.gz OGXIRAYBNKRFIQ-SECBINFHSA-N 1 0 233.337 0.065 20 30 BCEDRO C=CC[NH2+][C@](C)(COC)CC(=O)OC ZINC000308625893 346892631 /nfs/dbraw/zinc/89/26/31/346892631.db2.gz WAYIVWOSNUUAQI-JTQLQIEISA-N 1 0 201.266 0.730 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000602689266 349679134 /nfs/dbraw/zinc/67/91/34/349679134.db2.gz BFILVESXTSKDKU-NEPJUHHUSA-N 1 0 226.320 0.745 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[NH2+]C12CCCC2 ZINC000648208545 398344886 /nfs/dbraw/zinc/34/48/86/398344886.db2.gz ABCWTRYUCZWAEE-NSHDSACASA-N 1 0 238.331 0.980 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000602680985 349673680 /nfs/dbraw/zinc/67/36/80/349673680.db2.gz IZLJYIUTFNIUNT-NXEZZACHSA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000602689268 349680116 /nfs/dbraw/zinc/68/01/16/349680116.db2.gz BFILVESXTSKDKU-RYUDHWBXSA-N 1 0 226.320 0.745 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085614349 346898068 /nfs/dbraw/zinc/89/80/68/346898068.db2.gz GNIWYEOIMMNOKB-NXEZZACHSA-N 1 0 241.360 0.842 20 30 BCEDRO CC(C)[N@H+](C[C@@H](C)CCC#N)C[C@H](O)CO ZINC000602695626 349692444 /nfs/dbraw/zinc/69/24/44/349692444.db2.gz BJNMCCYPGKQOQS-RYUDHWBXSA-N 1 0 228.336 0.990 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000602697389 349693751 /nfs/dbraw/zinc/69/37/51/349693751.db2.gz PESZHLKSDLIQSS-VXGBXAGGSA-N 1 0 224.304 0.906 20 30 BCEDRO CO[C@](C)(CO)C[NH2+]C[C@H](C)CCC#N ZINC000602704650 349699175 /nfs/dbraw/zinc/69/91/75/349699175.db2.gz IVDNUCCBZHUNNH-MNOVXSKESA-N 1 0 214.309 0.913 20 30 BCEDRO C=C(C)CC[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000351830941 136256274 /nfs/dbraw/zinc/25/62/74/136256274.db2.gz APLQWJDBDOQBOM-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO Cc1nnc(NC(=O)[C@@H]2CN(C)CCO2)n1C ZINC000329728713 136256411 /nfs/dbraw/zinc/25/64/11/136256411.db2.gz FPEPERABPQXILS-QMMMGPOBSA-N 1 0 239.279 0.042 20 30 BCEDRO N#CC1(C[NH2+][C@H]2CCCNC(=O)C2)CCC1 ZINC000602699904 349696143 /nfs/dbraw/zinc/69/61/43/349696143.db2.gz TYIUPSFEDNSTEB-JTQLQIEISA-N 1 0 221.304 0.939 20 30 BCEDRO C=Cn1cc(C[NH2+]CCn2cnc(C#N)n2)cn1 ZINC000353051101 187208248 /nfs/dbraw/zinc/20/82/48/187208248.db2.gz XJAMCYNQWGNIRF-UHFFFAOYSA-N 1 0 243.274 0.237 20 30 BCEDRO N#Cc1ccc(C[NH+]2[C@H](CO)CC[C@H]2CO)nc1 ZINC000602883665 344020262 /nfs/dbraw/zinc/02/02/62/344020262.db2.gz KLNQXBFUNFUPJZ-STQMWFEESA-N 1 0 247.298 0.271 20 30 BCEDRO C[C@H]1CN(c2cc(C#N)ncn2)CC[NH2+]1 ZINC000308778392 346911824 /nfs/dbraw/zinc/91/18/24/346911824.db2.gz BKXBGHNMKBPBMV-QMMMGPOBSA-N 1 0 203.249 0.146 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CC(=O)NCC(=O)OC ZINC000602745784 349711044 /nfs/dbraw/zinc/71/10/44/349711044.db2.gz ACFUZEIADFMBSZ-SECBINFHSA-N 1 0 228.292 0.220 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1COCCN1C ZINC000602724117 349714318 /nfs/dbraw/zinc/71/43/18/349714318.db2.gz GXVTVGJDVYZVLZ-VXGBXAGGSA-N 1 0 225.336 0.846 20 30 BCEDRO N#CC1CCC([NH2+][C@H]2COC[C@H]2O)CC1 ZINC000602723906 349714353 /nfs/dbraw/zinc/71/43/53/349714353.db2.gz IJADAUYDULSSQD-WFBLGPOFSA-N 1 0 210.277 0.418 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000602724055 349714399 /nfs/dbraw/zinc/71/43/99/349714399.db2.gz PTCNZXNVPFRMTJ-OPRDCNLKSA-N 1 0 209.293 0.780 20 30 BCEDRO N#CCC1(C[N@H+]2C[C@H](O)C[C@H]2CO)CC1 ZINC000602798580 349739689 /nfs/dbraw/zinc/73/96/89/349739689.db2.gz LMSBGKFAQVQCGZ-VHSXEESVSA-N 1 0 210.277 0.108 20 30 BCEDRO COCC[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000602762622 349733479 /nfs/dbraw/zinc/73/34/79/349733479.db2.gz OMHUHGNIFWSSEG-UHFFFAOYSA-N 1 0 237.347 0.944 20 30 BCEDRO C#Cc1ccc(C[NH+]2CC(CC(N)=O)C2)cc1 ZINC000297345713 342994644 /nfs/dbraw/zinc/99/46/44/342994644.db2.gz GAYXSDGFUWRLOJ-UHFFFAOYSA-N 1 0 228.295 0.975 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000602827233 349765072 /nfs/dbraw/zinc/76/50/72/349765072.db2.gz QFVITZLBRWWOML-NXEZZACHSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000602827237 349765325 /nfs/dbraw/zinc/76/53/25/349765325.db2.gz QFVITZLBRWWOML-VHSXEESVSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@@H]1CN(Cc2nccn2C)C[C@H](C)N1CC#N ZINC000602848725 349784074 /nfs/dbraw/zinc/78/40/74/349784074.db2.gz HYIIMYRBIVOGQQ-TXEJJXNPSA-N 1 0 247.346 0.838 20 30 BCEDRO CCCCOCCNC(=O)CN[C@H](C)CC#N ZINC000602859813 349771049 /nfs/dbraw/zinc/77/10/49/349771049.db2.gz AVSZSPKDZWCHPY-LLVKDONJSA-N 1 0 241.335 0.811 20 30 BCEDRO C[C@@H]1C[NH+](CC2(C)COC2)C[C@@H](C)N1CC#N ZINC000602848900 349784331 /nfs/dbraw/zinc/78/43/31/349784331.db2.gz IPPACPPYDWXSQL-VXGBXAGGSA-N 1 0 237.347 0.941 20 30 BCEDRO C[C@@H](O)CC[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849766 349784390 /nfs/dbraw/zinc/78/43/90/349784390.db2.gz NQHZEXOBJBMECZ-GRYCIOLGSA-N 1 0 225.336 0.675 20 30 BCEDRO C[C@@H]1C[N@@H+](CCc2c[nH]nn2)C[C@H](C)N1CC#N ZINC000602850810 349785564 /nfs/dbraw/zinc/78/55/64/349785564.db2.gz SLGGGYZVNNAICA-PHIMTYICSA-N 1 0 248.334 0.265 20 30 BCEDRO C[C@@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602850584 349785857 /nfs/dbraw/zinc/78/58/57/349785857.db2.gz QUBAYGJEUUXOEU-OUAUKWLOSA-N 1 0 211.309 0.285 20 30 BCEDRO N#CCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000336467039 136264171 /nfs/dbraw/zinc/26/41/71/136264171.db2.gz UFYUPRYSBGBWIV-UHFFFAOYSA-N 1 0 200.201 0.588 20 30 BCEDRO COCCC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602853076 349786999 /nfs/dbraw/zinc/78/69/99/349786999.db2.gz GNPQDJUQDQHKIP-VXGBXAGGSA-N 1 0 225.336 0.941 20 30 BCEDRO C=CCSCCNC(=O)[C@@H]1CN(C)CCO1 ZINC000174354925 187227647 /nfs/dbraw/zinc/22/76/47/187227647.db2.gz IJAWGTPHMSMPDT-JTQLQIEISA-N 1 0 244.360 0.352 20 30 BCEDRO C=C[C@@H]1CCCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418664378 192059655 /nfs/dbraw/zinc/05/96/55/192059655.db2.gz BBALPTQNSFDTNB-WYUUTHIRSA-N 1 0 235.331 0.954 20 30 BCEDRO C=C[C@H]1CCCCN1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418664376 192059686 /nfs/dbraw/zinc/05/96/86/192059686.db2.gz BBALPTQNSFDTNB-NNYUYHANSA-N 1 0 235.331 0.954 20 30 BCEDRO N#CCN1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000363257126 136269134 /nfs/dbraw/zinc/26/91/34/136269134.db2.gz TVHNQANZBLJFNL-UTUOFQBUSA-N 1 0 205.305 0.926 20 30 BCEDRO N#CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000363257124 136269138 /nfs/dbraw/zinc/26/91/38/136269138.db2.gz TVHNQANZBLJFNL-GRYCIOLGSA-N 1 0 205.305 0.926 20 30 BCEDRO N#CCN1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000363257125 136269267 /nfs/dbraw/zinc/26/92/67/136269267.db2.gz TVHNQANZBLJFNL-IJLUTSLNSA-N 1 0 205.305 0.926 20 30 BCEDRO C[C@@H](CC#N)[N@H+](C)CCCC(=O)NC(N)=O ZINC000177368224 346927271 /nfs/dbraw/zinc/92/72/71/346927271.db2.gz BGKGBSKEPCIBER-QMMMGPOBSA-N 1 0 226.280 0.195 20 30 BCEDRO C=CCCCn1cc(C[C@@H]([NH3+])COC)nn1 ZINC000640935917 362074191 /nfs/dbraw/zinc/07/41/91/362074191.db2.gz KQDCIBLMYVMWNM-SNVBAGLBSA-N 1 0 224.308 0.761 20 30 BCEDRO C=CCCCn1cc(C[C@H]([NH3+])CO)nn1 ZINC000640936158 362074349 /nfs/dbraw/zinc/07/43/49/362074349.db2.gz PMKNZLFESPBOMB-VIFPVBQESA-N 1 0 210.281 0.106 20 30 BCEDRO C[NH+]1CCC(C(=O)NC2(C#N)CCC2)CC1 ZINC000360081576 136268494 /nfs/dbraw/zinc/26/84/94/136268494.db2.gz GMKRQIQKUXZEIP-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCC[N@@H+]1CCNC(=O)[C@H]1CC(C)C ZINC000275543042 187237848 /nfs/dbraw/zinc/23/78/48/187237848.db2.gz ZEBYGTYJQRCYPL-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000274839392 187237899 /nfs/dbraw/zinc/23/78/99/187237899.db2.gz UATZSOGJTMSGOS-UWVGGRQHSA-N 1 0 211.309 0.648 20 30 BCEDRO C=C(C)CC[N@@H+]1CCSC[C@@H]1C(N)=O ZINC000274875627 187237939 /nfs/dbraw/zinc/23/79/39/187237939.db2.gz YLAXWDBFLCTHKQ-SECBINFHSA-N 1 0 214.334 0.855 20 30 BCEDRO C=CCC(CC=C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274839543 187238333 /nfs/dbraw/zinc/23/83/33/187238333.db2.gz WLQZQEWXLGSVRJ-LBPRGKRZSA-N 1 0 238.331 0.941 20 30 BCEDRO C[C@@H]1CC[N@H+](CCOCCC#N)C[C@H]1O ZINC000339063353 136271075 /nfs/dbraw/zinc/27/10/75/136271075.db2.gz VQQBSDJNODGFFM-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO C[C@@H]1COCC[N@H+](CCOCCC#N)C1 ZINC000339052002 136271241 /nfs/dbraw/zinc/27/12/41/136271241.db2.gz IVNUGHKQARCMLT-NSHDSACASA-N 1 0 212.293 0.885 20 30 BCEDRO C[C@H](O)[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339080105 136271352 /nfs/dbraw/zinc/27/13/52/136271352.db2.gz FVIURYIHKRPZHP-QWRGUYRKSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@](C)(O)C(=O)OC ZINC000343903276 136271507 /nfs/dbraw/zinc/27/15/07/136271507.db2.gz DWRRXQQOBJZAPH-NSHDSACASA-N 1 0 231.292 0.045 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000062079196 136272016 /nfs/dbraw/zinc/27/20/16/136272016.db2.gz HBVKDQNCWBWFAO-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO CC#CC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000278303080 187239968 /nfs/dbraw/zinc/23/99/68/187239968.db2.gz HQZJOLSNNUIDSQ-VHSXEESVSA-N 1 0 206.289 0.751 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC(C)(C)[NH+](C)C ZINC000278676874 187240202 /nfs/dbraw/zinc/24/02/02/187240202.db2.gz QDRMUCXGKYFJOW-GFCCVEGCSA-N 1 0 228.336 0.770 20 30 BCEDRO C#CC[N@H+](CC)CCN1C(=O)NC(C)(C)C1=O ZINC000266928968 187235617 /nfs/dbraw/zinc/23/56/17/187235617.db2.gz NUQZVLOETCGLPJ-UHFFFAOYSA-N 1 0 237.303 0.272 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]([NH3+])C[C@H]1C ZINC000133610594 343185683 /nfs/dbraw/zinc/18/56/83/343185683.db2.gz DOMNVKLATXAPMP-NXEZZACHSA-N 1 0 211.309 0.100 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CCO)[C@@H](C)CC ZINC000336707431 136274594 /nfs/dbraw/zinc/27/45/94/136274594.db2.gz RUOICKUWMPKNHN-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@@H](O)C1(C)C ZINC000186872043 136275492 /nfs/dbraw/zinc/27/54/92/136275492.db2.gz CWNGJSWYGMRFIL-RKDXNWHRSA-N 1 0 211.309 0.626 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1([S@@](C)=O)CCC1 ZINC000262696541 136281255 /nfs/dbraw/zinc/28/12/55/136281255.db2.gz DXGNXJSMRWCOEQ-MRXNPFEDSA-N 1 0 243.376 0.768 20 30 BCEDRO COCC(C)(C)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262703232 136281307 /nfs/dbraw/zinc/28/13/07/136281307.db2.gz LIYBTZGYFOXEHX-JTQLQIEISA-N 1 0 243.351 0.694 20 30 BCEDRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@@H](C)CC#N ZINC000602871459 349802650 /nfs/dbraw/zinc/80/26/50/349802650.db2.gz RUTOPWLHTLJXLF-DCAQKATOSA-N 1 0 230.308 0.291 20 30 BCEDRO N#CCCOCC[N@@H+](CCO)C1CCOCC1 ZINC000339113021 136280349 /nfs/dbraw/zinc/28/03/49/136280349.db2.gz RARZKUMYDGMTDS-UHFFFAOYSA-N 1 0 242.319 0.390 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621363323 343265179 /nfs/dbraw/zinc/26/51/79/343265179.db2.gz MSRQKWKNAGSOKT-WDEREUQCSA-N 1 0 226.320 0.239 20 30 BCEDRO CCC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000071178731 534936272 /nfs/dbraw/zinc/93/62/72/534936272.db2.gz FSCIYYOWZSJBQF-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C[N@H+](CC(=O)NCC#N)[C@H]1CCSC1 ZINC000119886908 136292208 /nfs/dbraw/zinc/29/22/08/136292208.db2.gz YQGRQUQKRYEALQ-QMMMGPOBSA-N 1 0 213.306 0.063 20 30 BCEDRO C[C@@H](CC#N)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000602871940 349803326 /nfs/dbraw/zinc/80/33/26/349803326.db2.gz YSRRWMXZWNHGDS-GXSJLCMTSA-N 1 0 211.309 0.333 20 30 BCEDRO Cc1nccn1CCCCNC1=[NH+]C[C@@H](C)N1 ZINC000285028268 136287486 /nfs/dbraw/zinc/28/74/86/136287486.db2.gz JRQABCZLROTRRM-SNVBAGLBSA-N 1 0 235.335 0.909 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000569808787 323041133 /nfs/dbraw/zinc/04/11/33/323041133.db2.gz NDYNZRUUOQFCKD-RHYQMDGZSA-N 1 0 238.331 0.692 20 30 BCEDRO C=C(C)CCn1cc(C[C@@H]([NH3+])COC)nn1 ZINC000641070103 362179334 /nfs/dbraw/zinc/17/93/34/362179334.db2.gz VTCVNFZTEWHIHI-SNVBAGLBSA-N 1 0 224.308 0.761 20 30 BCEDRO C=C(C)CCn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000641069081 362180366 /nfs/dbraw/zinc/18/03/66/362180366.db2.gz DWEBEPCYZRREKF-UHFFFAOYSA-N 1 0 249.362 0.992 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000669555150 488215819 /nfs/dbraw/zinc/21/58/19/488215819.db2.gz CCIXPIZOUJOJCX-GHMZBOCLSA-N 1 0 241.335 0.629 20 30 BCEDRO C=CCOCCNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000669555147 488215860 /nfs/dbraw/zinc/21/58/60/488215860.db2.gz BCJQNFRJOZIGCG-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCCSCC#N ZINC000602908375 349807296 /nfs/dbraw/zinc/80/72/96/349807296.db2.gz OSPZBJVEPRYNEO-MNOVXSKESA-N 1 0 244.360 0.451 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000669555251 488215992 /nfs/dbraw/zinc/21/59/92/488215992.db2.gz LDZHPHGQGYVYRS-JTQLQIEISA-N 1 0 229.324 0.472 20 30 BCEDRO CC(=O)NCC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000037891474 187260777 /nfs/dbraw/zinc/26/07/77/187260777.db2.gz QNIYAZUOHBXOGA-ZDUSSCGKSA-N 1 0 247.298 0.317 20 30 BCEDRO C=C(C)[C@H](CO)n1cc([C@H]([NH3+])CC)nn1 ZINC000641083677 362205395 /nfs/dbraw/zinc/20/53/95/362205395.db2.gz DFHGMAGQSWTSTK-SCZZXKLOSA-N 1 0 210.281 0.797 20 30 BCEDRO CC(=O)N1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000344663916 343425666 /nfs/dbraw/zinc/42/56/66/343425666.db2.gz BOQJXSFTTBBWQU-SNVBAGLBSA-N 1 0 233.271 0.862 20 30 BCEDRO CC#CC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000277794592 187339542 /nfs/dbraw/zinc/33/95/42/187339542.db2.gz VFGCOGRLRVLUIY-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C=CCOCCNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000669555282 488216812 /nfs/dbraw/zinc/21/68/12/488216812.db2.gz NNGTZQGCKCEAHJ-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO CN(CCC#N)C(=O)CC[NH+]1CCSCC1 ZINC000034674348 136330651 /nfs/dbraw/zinc/33/06/51/136330651.db2.gz WZUBYQJXIIUHEX-UHFFFAOYSA-N 1 0 241.360 0.797 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CCN(C)[C@@H](C)[C@H]1C ZINC000335850528 136355345 /nfs/dbraw/zinc/35/53/45/136355345.db2.gz HFGKGCZXEPMWHJ-WDEREUQCSA-N 1 0 246.376 0.917 20 30 BCEDRO N#CCCCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000351606550 136369986 /nfs/dbraw/zinc/36/99/86/136369986.db2.gz DHGUEIRPPWCEFP-UHFFFAOYSA-N 1 0 205.265 0.857 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2ccc(F)cn2)N1 ZINC000262671856 136374659 /nfs/dbraw/zinc/37/46/59/136374659.db2.gz RLRXZOHDXFBHQK-ZETCQYMHSA-N 1 0 208.240 0.658 20 30 BCEDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC1(CC#N)CC1 ZINC000602895621 349813062 /nfs/dbraw/zinc/81/30/62/349813062.db2.gz BHUGCPSZXLRBMK-GHMZBOCLSA-N 1 0 224.304 0.498 20 30 BCEDRO C=C[C@H](O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000616511789 343487982 /nfs/dbraw/zinc/48/79/82/343487982.db2.gz LEVAXRJJZFKBAA-NSHDSACASA-N 1 0 228.336 0.627 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(COC)CC1 ZINC000491122324 259363076 /nfs/dbraw/zinc/36/30/76/259363076.db2.gz VTHWVLWPGAAPHP-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO COCCN(CCC#N)CCC(=O)N(C)C ZINC000070846206 343513358 /nfs/dbraw/zinc/51/33/58/343513358.db2.gz TVMIFKCSVNMWFO-UHFFFAOYSA-N 1 0 227.308 0.327 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CCC[C@@](O)(CO)C2)cc1 ZINC000313696838 259363618 /nfs/dbraw/zinc/36/36/18/259363618.db2.gz YIWXYPQKCZCUJM-AWEZNQCLSA-N 1 0 246.310 0.877 20 30 BCEDRO COCC[N@H+](C)C[C@H](O)CN(C)[C@@H](C)CC#N ZINC000310567344 343538156 /nfs/dbraw/zinc/53/81/56/343538156.db2.gz YCAXYQAYYDXXLB-RYUDHWBXSA-N 1 0 243.351 0.159 20 30 BCEDRO CN(C[C@H](O)C[NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000310807765 343578375 /nfs/dbraw/zinc/57/83/75/343578375.db2.gz IBZZBBCJFVDSJL-LLVKDONJSA-N 1 0 248.286 0.342 20 30 BCEDRO C=CCN(C)C(=O)C1(COC)CC[NH2+]CC1 ZINC000234598673 343604374 /nfs/dbraw/zinc/60/43/74/343604374.db2.gz KYGUVEGYLVJZKI-UHFFFAOYSA-N 1 0 226.320 0.647 20 30 BCEDRO COC[C@@](C)(CO)[NH2+]CCC(C)(C)C#N ZINC000602931675 349822192 /nfs/dbraw/zinc/82/21/92/349822192.db2.gz IVNAYVBKDGYIRG-LLVKDONJSA-N 1 0 214.309 0.913 20 30 BCEDRO COC[C@@](C)(CO)[NH2+]CC1(CC#N)CC1 ZINC000602931120 349822485 /nfs/dbraw/zinc/82/24/85/349822485.db2.gz HBUUQHVVBHIZIV-SNVBAGLBSA-N 1 0 212.293 0.667 20 30 BCEDRO CO[C@@H]1C[N@H+](CCOCCC#N)[C@](C)(CO)C1 ZINC000602963801 349826244 /nfs/dbraw/zinc/82/62/44/349826244.db2.gz IPLATKFCDYXLTD-RYUDHWBXSA-N 1 0 242.319 0.388 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)C2(C#N)CCC2)C1 ZINC000083798257 343672035 /nfs/dbraw/zinc/67/20/35/343672035.db2.gz QHZWBNFXNBWFEY-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO N#CCN1CCC([NH2+][C@@H]2CCOC2)CC1 ZINC000380053493 343673479 /nfs/dbraw/zinc/67/34/79/343673479.db2.gz VPHHHRGVJUYRHD-LLVKDONJSA-N 1 0 209.293 0.353 20 30 BCEDRO CN(C(=O)c1cccc(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000071310130 343654246 /nfs/dbraw/zinc/65/42/46/343654246.db2.gz PPDBHBMONDLJHJ-GFCCVEGCSA-N 1 0 229.283 0.992 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(CCOCCC#N)C1 ZINC000338954152 343692663 /nfs/dbraw/zinc/69/26/63/343692663.db2.gz JFTNPCXULQGMEO-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C[N@@H+]1CCN(c2ncncc2C#N)CC1(C)C ZINC000380216230 343693016 /nfs/dbraw/zinc/69/30/16/343693016.db2.gz KBIOYQSRZAROOZ-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO CC#CC[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339757037 343703202 /nfs/dbraw/zinc/70/32/02/343703202.db2.gz FWCFQDBERNWSQT-QWHCGFSZSA-N 1 0 223.316 0.919 20 30 BCEDRO C[C@H]1CO[C@H](CO)C[N@@H+]1CCCCC#N ZINC000088092315 343705098 /nfs/dbraw/zinc/70/50/98/343705098.db2.gz KFCSHAYQKZSWDT-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634715623 343707614 /nfs/dbraw/zinc/70/76/14/343707614.db2.gz HCARMQNPKCOIBB-GFCCVEGCSA-N 1 0 243.347 0.835 20 30 BCEDRO C[N@H+](C[C@H](O)Cn1cccn1)[C@@H]1CCC[C@H]1C#N ZINC000602975995 349840636 /nfs/dbraw/zinc/84/06/36/349840636.db2.gz JNDGSFLCPQWPQF-RWMBFGLXSA-N 1 0 248.330 0.868 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCc2nc[nH]c2C1 ZINC000625436181 343733722 /nfs/dbraw/zinc/73/37/22/343733722.db2.gz GIXGMRQNAMOANL-LLVKDONJSA-N 1 0 207.277 0.705 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000603018474 349858529 /nfs/dbraw/zinc/85/85/29/349858529.db2.gz ZXZDOPKWXZPWJO-NWDGAFQWSA-N 1 0 240.347 0.986 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418753202 192066708 /nfs/dbraw/zinc/06/67/08/192066708.db2.gz CUWQHFPVTDZSMB-GHMZBOCLSA-N 1 0 240.351 0.154 20 30 BCEDRO C[NH+]1CCC(NC(=O)NCC(C)(C)C#N)CC1 ZINC000334187640 343833681 /nfs/dbraw/zinc/83/36/81/343833681.db2.gz HAGSHLLZHUOWJX-UHFFFAOYSA-N 1 0 238.335 0.930 20 30 BCEDRO C[N@H+](CCNc1cncc(C#N)n1)C1CC1 ZINC000401237251 529918492 /nfs/dbraw/zinc/91/84/92/529918492.db2.gz SBXOTHHQRCZXTO-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000418794184 192067616 /nfs/dbraw/zinc/06/76/16/192067616.db2.gz PEZZJOGFHZNMJG-SDDRHHMPSA-N 1 0 235.331 0.697 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000418794182 192067660 /nfs/dbraw/zinc/06/76/60/192067660.db2.gz PEZZJOGFHZNMJG-IJLUTSLNSA-N 1 0 235.331 0.697 20 30 BCEDRO C=C(C)CNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418796753 192067674 /nfs/dbraw/zinc/06/76/74/192067674.db2.gz UEUMIQVETFMFNZ-UWVGGRQHSA-N 1 0 211.309 0.989 20 30 BCEDRO C=C(C)CNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418796752 192068010 /nfs/dbraw/zinc/06/80/10/192068010.db2.gz UEUMIQVETFMFNZ-NXEZZACHSA-N 1 0 211.309 0.989 20 30 BCEDRO C=CCOCCn1cc(CSCC[NH3+])nn1 ZINC000603220783 349896894 /nfs/dbraw/zinc/89/68/94/349896894.db2.gz YRNPARRIVARILQ-UHFFFAOYSA-N 1 0 242.348 0.673 20 30 BCEDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cccc(C#N)n1 ZINC000602608410 343933192 /nfs/dbraw/zinc/93/31/92/343933192.db2.gz NEFNAHJTUGXEEQ-XXFAHNHDSA-N 1 0 237.328 0.810 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CC1(C)COC1 ZINC000625793751 344076681 /nfs/dbraw/zinc/07/66/81/344076681.db2.gz IBCKNZFFBQSETP-JTQLQIEISA-N 1 0 226.320 0.645 20 30 BCEDRO C=C(C)C[N@H+](CC)CCC(=O)NC(N)=O ZINC000078272631 344095619 /nfs/dbraw/zinc/09/56/19/344095619.db2.gz UNWKCVBLVOTRMJ-UHFFFAOYSA-N 1 0 213.281 0.469 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000395273151 344139212 /nfs/dbraw/zinc/13/92/12/344139212.db2.gz OLINCBNNEFJXHP-QWRGUYRKSA-N 1 0 223.320 0.946 20 30 BCEDRO C#CCSCC[NH2+]C1CCN(C=O)CC1 ZINC000278780737 166202709 /nfs/dbraw/zinc/20/27/09/166202709.db2.gz PSQCRKIGFZHJCU-UHFFFAOYSA-N 1 0 226.345 0.563 20 30 BCEDRO C=CCCOCC[NH2+][C@@H](C)CC(=O)NC ZINC000131549576 344233089 /nfs/dbraw/zinc/23/30/89/344233089.db2.gz RDJZASSQLOKQDC-JTQLQIEISA-N 1 0 214.309 0.693 20 30 BCEDRO C[NH+](C)C[C@H](CO)NC(=O)c1ccc(C#N)cc1 ZINC000588863801 344195933 /nfs/dbraw/zinc/19/59/33/344195933.db2.gz STOUIVRICVOROL-GFCCVEGCSA-N 1 0 247.298 0.211 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)CC(N)=O ZINC000267209511 166203130 /nfs/dbraw/zinc/20/31/30/166203130.db2.gz HAWCABNTUALWHF-QMMMGPOBSA-N 1 0 200.307 0.206 20 30 BCEDRO C[C@@H](CC#N)NS(=O)(=O)CCn1ccnc1 ZINC000603280002 349906676 /nfs/dbraw/zinc/90/66/76/349906676.db2.gz JSPIAKJUAFGXEM-VIFPVBQESA-N 1 0 242.304 0.105 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C(C)(C)OC ZINC000293947057 344279090 /nfs/dbraw/zinc/27/90/90/344279090.db2.gz JREFCDSWMWJFTA-UHFFFAOYSA-N 1 0 226.320 0.483 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CCC(C)=O ZINC000293975425 344288410 /nfs/dbraw/zinc/28/84/10/344288410.db2.gz MLEMXCHRAKCKEP-UHFFFAOYSA-N 1 0 224.304 0.427 20 30 BCEDRO COCC#CCN1CC[N@H+](C)[C@H](C)[C@H]1C ZINC000678469901 488258206 /nfs/dbraw/zinc/25/82/06/488258206.db2.gz RGSXFEPQLHNWQJ-VXGBXAGGSA-N 1 0 210.321 0.661 20 30 BCEDRO N#CC1(C[NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600733684 344364668 /nfs/dbraw/zinc/36/46/68/344364668.db2.gz AXRCLYUNRSSUNX-JTQLQIEISA-N 1 0 219.288 0.935 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCCCCO)CC1 ZINC000600736549 344365471 /nfs/dbraw/zinc/36/54/71/344365471.db2.gz BSIKUZSZAVBGKB-LLVKDONJSA-N 1 0 226.320 0.793 20 30 BCEDRO CC[C@@H](O)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600738573 344366398 /nfs/dbraw/zinc/36/63/98/344366398.db2.gz LKNVRWMBLRXOEQ-ZJUUUORDSA-N 1 0 212.293 0.402 20 30 BCEDRO C[C@@H](O)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600738754 344366560 /nfs/dbraw/zinc/36/65/60/344366560.db2.gz MLLYNDYAARQLTC-ZJUUUORDSA-N 1 0 212.293 0.402 20 30 BCEDRO CC(C)(CO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600739474 344366610 /nfs/dbraw/zinc/36/66/10/344366610.db2.gz RZXJQSLJOVRHTH-SNVBAGLBSA-N 1 0 226.320 0.649 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600745145 344366758 /nfs/dbraw/zinc/36/67/58/344366758.db2.gz QYFHNVUNGFAEPC-QWRGUYRKSA-N 1 0 224.304 0.568 20 30 BCEDRO CC[C@@H](O)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600743424 344367377 /nfs/dbraw/zinc/36/73/77/344367377.db2.gz MEWCEPHEHCUVRV-GHMZBOCLSA-N 1 0 226.320 0.792 20 30 BCEDRO C[C@@H](CN(C)C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600740942 344367477 /nfs/dbraw/zinc/36/74/77/344367477.db2.gz LNDQIJMIDZGYLI-QWRGUYRKSA-N 1 0 225.336 0.581 20 30 BCEDRO C[C@H](CCO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600741214 344367510 /nfs/dbraw/zinc/36/75/10/344367510.db2.gz CLGVUILDRMADJZ-ZJUUUORDSA-N 1 0 212.293 0.402 20 30 BCEDRO C/C=C\C[C@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600745076 344367893 /nfs/dbraw/zinc/36/78/93/344367893.db2.gz QTIYYJNVYVZZLY-DQOJRVPBSA-N 1 0 238.331 0.958 20 30 BCEDRO C[C@@H](Cn1ccnc1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600715705 344362170 /nfs/dbraw/zinc/36/21/70/344362170.db2.gz HPYMFEGQVQTUCT-RYUDHWBXSA-N 1 0 248.330 0.916 20 30 BCEDRO CCOCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600716783 344362216 /nfs/dbraw/zinc/36/22/16/344362216.db2.gz MIKVPTLQRJHOEM-JTQLQIEISA-N 1 0 212.293 0.667 20 30 BCEDRO Cn1cc(CC[NH2+]C[C@H](O)CC2(C#N)CC2)cn1 ZINC000600716361 344362296 /nfs/dbraw/zinc/36/22/96/344362296.db2.gz KPYWSQIGGVMZNK-GFCCVEGCSA-N 1 0 248.330 0.607 20 30 BCEDRO COC[C@H](C)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600719099 344362529 /nfs/dbraw/zinc/36/25/29/344362529.db2.gz CWMJWZZDBNUWRB-GHMZBOCLSA-N 1 0 226.320 0.913 20 30 BCEDRO CN(C)C(=O)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600718441 344362737 /nfs/dbraw/zinc/36/27/37/344362737.db2.gz XNVGTFOAILEPHE-JTQLQIEISA-N 1 0 239.319 0.109 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CC2(CO)CCC2)CC1 ZINC000600744402 344368054 /nfs/dbraw/zinc/36/80/54/344368054.db2.gz PEAACUDGHLJRTL-LLVKDONJSA-N 1 0 238.331 0.793 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCCOCCO)CC1 ZINC000600751032 344368247 /nfs/dbraw/zinc/36/82/47/344368247.db2.gz ZDYGBLKTVMRGKA-LLVKDONJSA-N 1 0 242.319 0.030 20 30 BCEDRO C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C(=O)N(C)C ZINC000600727096 344363506 /nfs/dbraw/zinc/36/35/06/344363506.db2.gz OLFHVZINFADFBK-UWVGGRQHSA-N 1 0 239.319 0.107 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CC2(CCO)CC2)CC1 ZINC000600749346 344368377 /nfs/dbraw/zinc/36/83/77/344368377.db2.gz QIJLDLXHIDNVBJ-NSHDSACASA-N 1 0 238.331 0.793 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[C@H](O)C2)CC1 ZINC000600745811 344368400 /nfs/dbraw/zinc/36/84/00/344368400.db2.gz SWAXSLOBQDQXHZ-SRVKXCTJSA-N 1 0 238.331 0.792 20 30 BCEDRO CN1CCOC[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000600755247 344369349 /nfs/dbraw/zinc/36/93/49/344369349.db2.gz IOCBHEWHPAYNGP-VXGBXAGGSA-N 1 0 236.319 0.350 20 30 BCEDRO C[N@H+](CC(=O)N1CCOC[C@@H]1C#N)C1CCC1 ZINC000600821572 344379683 /nfs/dbraw/zinc/37/96/83/344379683.db2.gz MFJUFAZRCHZMMJ-NSHDSACASA-N 1 0 237.303 0.222 20 30 BCEDRO CC[C@H]([NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC000287562824 344405732 /nfs/dbraw/zinc/40/57/32/344405732.db2.gz QFHDEDVCJWQEAJ-JTQLQIEISA-N 1 0 219.292 0.928 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(C#N)s1 ZINC000135511974 344502865 /nfs/dbraw/zinc/50/28/65/344502865.db2.gz NUNVJNDPHASKBB-SSDOTTSWSA-N 1 0 223.301 0.973 20 30 BCEDRO C=CCC[C@H](C)[NH2+][C@@H]1CCN(S(C)(=O)=O)C1 ZINC000400265348 344453529 /nfs/dbraw/zinc/45/35/29/344453529.db2.gz UTGMUJJUWYYKLG-WDEREUQCSA-N 1 0 246.376 0.965 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC000135486430 344473443 /nfs/dbraw/zinc/47/34/43/344473443.db2.gz WFNTXQGOVGARKI-QMMMGPOBSA-N 1 0 210.233 0.248 20 30 BCEDRO COCCN1CCN(C(=O)CC#N)C[C@@H]1C ZINC000408318268 344491045 /nfs/dbraw/zinc/49/10/45/344491045.db2.gz IQPUDPSAJVKGAH-JTQLQIEISA-N 1 0 225.292 0.079 20 30 BCEDRO COCC#CC[N@H+](C)C1(C(N)=O)CCCC1 ZINC000678525932 488264165 /nfs/dbraw/zinc/26/41/65/488264165.db2.gz DMRJIHYBEWLSQK-UHFFFAOYSA-N 1 0 224.304 0.366 20 30 BCEDRO C[C@](O)(CO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000085251215 344513342 /nfs/dbraw/zinc/51/33/42/344513342.db2.gz LCDZUCCRCBTSRU-GFCCVEGCSA-N 1 0 220.272 0.391 20 30 BCEDRO CN(Cc1ccccc1C#N)C1C[NH2+]C1 ZINC000085258122 344513360 /nfs/dbraw/zinc/51/33/60/344513360.db2.gz VIFNUFYWKHCLCO-UHFFFAOYSA-N 1 0 201.273 0.962 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CCCC(=O)N2)C1 ZINC000381628199 344527395 /nfs/dbraw/zinc/52/73/95/344527395.db2.gz NGQBVDIERBLYCF-OUAUKWLOSA-N 1 0 221.304 0.937 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccnc(C#N)c2)C1 ZINC000259024476 344529632 /nfs/dbraw/zinc/52/96/32/344529632.db2.gz OKBLYSMPBPPIHQ-LLVKDONJSA-N 1 0 244.298 0.777 20 30 BCEDRO C[NH+](C)CCCNc1cc(C#N)ncn1 ZINC000259029006 344529669 /nfs/dbraw/zinc/52/96/69/344529669.db2.gz SRJSEVGPFRIRME-UHFFFAOYSA-N 1 0 205.265 0.712 20 30 BCEDRO C[C@@H]1CN(CC[NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000540591688 344531323 /nfs/dbraw/zinc/53/13/23/344531323.db2.gz NJXVGFJZTGCWEZ-LLVKDONJSA-N 1 0 249.314 0.962 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cccc(C#N)n2)C1 ZINC000259145786 344545645 /nfs/dbraw/zinc/54/56/45/344545645.db2.gz UVTBBGWMQBZPNC-LLVKDONJSA-N 1 0 244.298 0.777 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C#N)C1 ZINC000044752615 344546000 /nfs/dbraw/zinc/54/60/00/344546000.db2.gz FTUKIUMXJGXQFO-SECBINFHSA-N 1 0 209.293 0.604 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)ccn2)C1 ZINC000259163422 344546554 /nfs/dbraw/zinc/54/65/54/344546554.db2.gz VNIKGJYZMGGIAG-NSHDSACASA-N 1 0 244.298 0.777 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC000044811519 344549221 /nfs/dbraw/zinc/54/92/21/344549221.db2.gz YPGIWEGPVILFND-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000111257417 344585729 /nfs/dbraw/zinc/58/57/29/344585729.db2.gz FOERDZODHYZRPC-UHFFFAOYSA-N 1 0 207.277 0.524 20 30 BCEDRO Cc1cc(CNC(=[NH2+])N(C)C2CC2)on1 ZINC000181471004 347060532 /nfs/dbraw/zinc/06/05/32/347060532.db2.gz ICKAHERAGPLMDU-UHFFFAOYSA-N 1 0 208.265 0.892 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NCC1(C)COC1 ZINC000112769784 344651148 /nfs/dbraw/zinc/65/11/48/344651148.db2.gz AVQORTIBZXQIBV-UHFFFAOYSA-N 1 0 237.303 0.981 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626014468 344672578 /nfs/dbraw/zinc/67/25/78/344672578.db2.gz FYXHDQOIHWMVCP-QWHCGFSZSA-N 1 0 223.316 0.731 20 30 BCEDRO C=C(CC)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000358626904 344674242 /nfs/dbraw/zinc/67/42/42/344674242.db2.gz UKVVPKBXPFYUIW-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C=CCCCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076001 344722614 /nfs/dbraw/zinc/72/26/14/344722614.db2.gz BSKUTUOCWZOXIM-LLVKDONJSA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCCC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626080558 344726261 /nfs/dbraw/zinc/72/62/61/344726261.db2.gz KVTUWFPBPYSONM-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038243 344689418 /nfs/dbraw/zinc/68/94/18/344689418.db2.gz ZMSIMRFBNZVMKV-AXFHLTTASA-N 1 0 226.320 0.509 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CN1CCO[C@@H](C#N)C1 ZINC000259799929 344692160 /nfs/dbraw/zinc/69/21/60/344692160.db2.gz URIYSHDODLRSGL-MNOVXSKESA-N 1 0 209.293 0.305 20 30 BCEDRO C[C@H](CC#N)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000259843594 344694353 /nfs/dbraw/zinc/69/43/53/344694353.db2.gz FMKWJLCCPVHXPN-ZJUUUORDSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)C1=O ZINC000626046838 344697932 /nfs/dbraw/zinc/69/79/32/344697932.db2.gz TZYQDDSAPVTODA-TUAOUCFPSA-N 1 0 238.331 0.476 20 30 BCEDRO COC[C@@H](C)C[NH2+]C1CCN(CC#N)CC1 ZINC000309460628 347067661 /nfs/dbraw/zinc/06/76/61/347067661.db2.gz NUKCCWSUOCAVMO-NSHDSACASA-N 1 0 225.336 0.846 20 30 BCEDRO C[NH+]=C(NCCn1cc(C)cn1)N1CCCC1 ZINC000118161310 344779234 /nfs/dbraw/zinc/77/92/34/344779234.db2.gz ITDLHVMNKGHKFU-UHFFFAOYSA-N 1 0 235.335 0.863 20 30 BCEDRO N#Cc1cc(NC[C@@H]2CCCC[NH2+]2)ncn1 ZINC000309472098 347071290 /nfs/dbraw/zinc/07/12/90/347071290.db2.gz XFKBUUMAOJTCCA-VIFPVBQESA-N 1 0 217.276 0.902 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNc1cncc(C#N)n1 ZINC000401233770 530063884 /nfs/dbraw/zinc/06/38/84/530063884.db2.gz POXWRSGOLJHXKT-JTQLQIEISA-N 1 0 217.276 0.854 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC(n2ccnc2)C1 ZINC000583359884 344788493 /nfs/dbraw/zinc/78/84/93/344788493.db2.gz YIYJRBVJCGBZFT-UHFFFAOYSA-N 1 0 241.316 0.646 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH+]1C[C@H](C)[C@@H](C)C1 ZINC000076111640 344795611 /nfs/dbraw/zinc/79/56/11/344795611.db2.gz LYLIWLPXEIWMPQ-UWVGGRQHSA-N 1 0 239.319 0.586 20 30 BCEDRO C#CC[NH+](CC#C)CCC(=O)N1CCCCC1 ZINC000076185446 344799172 /nfs/dbraw/zinc/79/91/72/344799172.db2.gz OHQCQDSZWWWBGY-UHFFFAOYSA-N 1 0 232.327 0.957 20 30 BCEDRO C[C@@H]1C[C@H](C)C[N@@H+](CC(=O)NCC#N)C1 ZINC000076667751 344805185 /nfs/dbraw/zinc/80/51/85/344805185.db2.gz JZQMPYQHOXJBSG-AOOOYVTPSA-N 1 0 209.293 0.604 20 30 BCEDRO N#CCNC(=O)C[NH2+]C[C@H](O)CC1CCCC1 ZINC000567707595 323077810 /nfs/dbraw/zinc/07/78/10/323077810.db2.gz ZBVVDZRDJLYQKO-LLVKDONJSA-N 1 0 239.319 0.157 20 30 BCEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)NC(=O)NC ZINC000120106319 344876839 /nfs/dbraw/zinc/87/68/39/344876839.db2.gz GFUCEHHOGYFVLL-VIFPVBQESA-N 1 0 227.308 0.729 20 30 BCEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000121403700 344923727 /nfs/dbraw/zinc/92/37/27/344923727.db2.gz WNPKHVZBVOVSMM-JTQLQIEISA-N 1 0 209.293 0.865 20 30 BCEDRO CC#CCC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000155980479 187296436 /nfs/dbraw/zinc/29/64/36/187296436.db2.gz FJSWQNFKAZNDAN-JTQLQIEISA-N 1 0 207.277 0.109 20 30 BCEDRO C=C(C)CNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000156364894 187296514 /nfs/dbraw/zinc/29/65/14/187296514.db2.gz MFILKYRWQFNJRQ-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO CC#CCN1CCC[C@H]1c1nncn1C ZINC000156759066 187296748 /nfs/dbraw/zinc/29/67/48/187296748.db2.gz ONOWSCCKLPVLNO-JTQLQIEISA-N 1 0 204.277 0.975 20 30 BCEDRO C[C@@H](C#N)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000408273474 345008717 /nfs/dbraw/zinc/00/87/17/345008717.db2.gz DDJJZCVXBGRLKX-GUBZILKMSA-N 1 0 209.293 0.745 20 30 BCEDRO CC(C)[C@H](C(=O)N1CCO[C@H](C#N)C1)[NH+](C)C ZINC000155995238 345117901 /nfs/dbraw/zinc/11/79/01/345117901.db2.gz MVWAPMKOMGIMSS-GHMZBOCLSA-N 1 0 239.319 0.324 20 30 BCEDRO CC[C@@H]1CN(C(=O)CC#N)CC[N@@H+]1C[C@@H](C)O ZINC000408320230 345145599 /nfs/dbraw/zinc/14/55/99/345145599.db2.gz NTXDAHZJCRESPL-GHMZBOCLSA-N 1 0 239.319 0.204 20 30 BCEDRO C=CCSCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000381285027 345240737 /nfs/dbraw/zinc/24/07/37/345240737.db2.gz ZGKAODAUSMVEIO-GFCCVEGCSA-N 1 0 244.404 0.950 20 30 BCEDRO CC[N@H+](CC(=O)N1CCO[C@@H](C#N)C1)C1CC1 ZINC000132177961 345320769 /nfs/dbraw/zinc/32/07/69/345320769.db2.gz OSQDBJLEZRXVNS-NSHDSACASA-N 1 0 237.303 0.222 20 30 BCEDRO COCCN1CC[C@@H]([NH2+]CC2(C#N)CC2)C1 ZINC000381330119 345346919 /nfs/dbraw/zinc/34/69/19/345346919.db2.gz STBICPWFJFCHFS-LLVKDONJSA-N 1 0 223.320 0.600 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418885646 192088106 /nfs/dbraw/zinc/08/81/06/192088106.db2.gz JHPPYLVFXSCRIC-JTQLQIEISA-N 1 0 241.335 0.041 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@](C)(O)c1ccc(F)cc1 ZINC000134235824 345405218 /nfs/dbraw/zinc/40/52/18/345405218.db2.gz MEPAERGTGZDVAH-LBPRGKRZSA-N 1 0 239.294 0.910 20 30 BCEDRO C=CCNC(NC[C@@]1(O)CCSC1)=[NH+]CC ZINC000080895195 345453705 /nfs/dbraw/zinc/45/37/05/345453705.db2.gz WSCCCFKVLDFEEI-NSHDSACASA-N 1 0 243.376 0.596 20 30 BCEDRO C[C@@H]([NH3+])CNS(=O)(=O)c1cccc(C#N)c1 ZINC000082575036 345439299 /nfs/dbraw/zinc/43/92/99/345439299.db2.gz JGDJKLSLIDSQRI-MRVPVSSYSA-N 1 0 239.300 0.184 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000418890760 192088621 /nfs/dbraw/zinc/08/86/21/192088621.db2.gz SGBVXMYYYVXSPF-JTQLQIEISA-N 1 0 241.335 0.168 20 30 BCEDRO C=CCNC(=O)CN1CCO[C@](C)(CC)C1 ZINC000135684520 345450430 /nfs/dbraw/zinc/45/04/30/345450430.db2.gz PEPVJYBSBXLQLK-GFCCVEGCSA-N 1 0 226.320 0.790 20 30 BCEDRO CC[NH+]=C(NCc1cnn(C)c1)N[C@H]1C[C@@H]1C ZINC000081820130 345493339 /nfs/dbraw/zinc/49/33/39/345493339.db2.gz TWDIZHVTVCBPFI-ONGXEEELSA-N 1 0 235.335 0.884 20 30 BCEDRO N#CCn1cc(C[C@H]2CCC[NH2+]C2)nn1 ZINC000600972956 345546631 /nfs/dbraw/zinc/54/66/31/345546631.db2.gz PIFANJLSSZCRTH-SECBINFHSA-N 1 0 205.265 0.344 20 30 BCEDRO C#CCN1CCN(c2cncc(Cl)n2)CC1 ZINC000089592156 345561219 /nfs/dbraw/zinc/56/12/19/345561219.db2.gz ANPBLVHHKMWWCG-UHFFFAOYSA-N 1 0 236.706 0.885 20 30 BCEDRO C=CCCC[C@@H](C)[NH+]1CCN(CC(N)=O)CC1 ZINC000091514883 345596447 /nfs/dbraw/zinc/59/64/47/345596447.db2.gz GZLPLQGYSXFNRF-GFCCVEGCSA-N 1 0 239.363 0.834 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000092843961 345645034 /nfs/dbraw/zinc/64/50/34/345645034.db2.gz IMEXIZLKBVONMQ-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000335896501 345786823 /nfs/dbraw/zinc/78/68/23/345786823.db2.gz PCJVHZNQEHRJLI-ZJUUUORDSA-N 1 0 209.293 0.556 20 30 BCEDRO N#Cc1cnc(NC[C@H]2CCCC[NH2+]2)cn1 ZINC000070581488 345788434 /nfs/dbraw/zinc/78/84/34/345788434.db2.gz DWOVUKUSGMAOFE-SECBINFHSA-N 1 0 217.276 0.902 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000139798988 345802567 /nfs/dbraw/zinc/80/25/67/345802567.db2.gz ULSZELGBRKFNDD-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@@H](CO)COC)cc1 ZINC000289556991 345868973 /nfs/dbraw/zinc/86/89/73/345868973.db2.gz GOLVFAZCIDWVDJ-ZDUSSCGKSA-N 1 0 219.284 0.765 20 30 BCEDRO C=CC[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000389909616 537918724 /nfs/dbraw/zinc/91/87/24/537918724.db2.gz IJTLWUDXTFTIJT-UHFFFAOYSA-N 1 0 226.301 0.610 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@H](CO)C2)nc1 ZINC000585719796 345981880 /nfs/dbraw/zinc/98/18/80/345981880.db2.gz RUBMZEODZXDLOI-NSHDSACASA-N 1 0 217.272 0.767 20 30 BCEDRO CO[C@H]1CCC[C@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000586782564 346103240 /nfs/dbraw/zinc/10/32/40/346103240.db2.gz LFCNJAJRASRREY-QWRGUYRKSA-N 1 0 249.318 0.697 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635798246 346066655 /nfs/dbraw/zinc/06/66/55/346066655.db2.gz XZVWYWGDRQSSOT-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO N#Cc1cccc(C(=O)NC[C@H]2COCC[NH2+]2)c1 ZINC000236408904 346236695 /nfs/dbraw/zinc/23/66/95/346236695.db2.gz VMBMJOSRLOLRQM-LBPRGKRZSA-N 1 0 245.282 0.276 20 30 BCEDRO CCOC[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000167448443 346247668 /nfs/dbraw/zinc/24/76/68/346247668.db2.gz OUPOWUWANXGBFR-NSHDSACASA-N 1 0 225.336 0.989 20 30 BCEDRO CC[C@](C)(C#N)C(=O)N1CC([NH+](C)C)C1 ZINC000336337252 346282587 /nfs/dbraw/zinc/28/25/87/346282587.db2.gz MUDLJYKYZSBPNO-LLVKDONJSA-N 1 0 209.293 0.699 20 30 BCEDRO CC(C)[N@H+](CC(=O)NCC#N)C1CCC1 ZINC000119741769 535038056 /nfs/dbraw/zinc/03/80/56/535038056.db2.gz YHDYMBIHPVIMHX-UHFFFAOYSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCOCC[NH2+]Cc1ccncc1N ZINC000641746354 362672893 /nfs/dbraw/zinc/67/28/93/362672893.db2.gz VKFOZUOUUBPFGJ-UHFFFAOYSA-N 1 0 207.277 0.956 20 30 BCEDRO C=CCCC[N@@H+](C)CCCC(=O)NC(N)=O ZINC000172324764 166233154 /nfs/dbraw/zinc/23/31/54/166233154.db2.gz LNPDOLXDJNXSJX-UHFFFAOYSA-N 1 0 227.308 0.860 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636112118 346323412 /nfs/dbraw/zinc/32/34/12/346323412.db2.gz OTYQFVDNDUQYFS-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000603430420 349952528 /nfs/dbraw/zinc/95/25/28/349952528.db2.gz HQYFJJXOEAFEHV-JTQLQIEISA-N 1 0 238.335 0.882 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cnn2c1CCC2 ZINC000641766924 362699574 /nfs/dbraw/zinc/69/95/74/362699574.db2.gz FBNHMWKNUKELED-LBPRGKRZSA-N 1 0 233.315 0.693 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000641767100 362700936 /nfs/dbraw/zinc/70/09/36/362700936.db2.gz GTEVVIKOITUOEP-SDDRHHMPSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cnc(C)o1 ZINC000641767736 362702795 /nfs/dbraw/zinc/70/27/95/362702795.db2.gz PYJAYTLQIOGWSP-JTQLQIEISA-N 1 0 208.261 0.847 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419135324 192101384 /nfs/dbraw/zinc/10/13/84/192101384.db2.gz LCPLKRJNGANSBB-NXEZZACHSA-N 1 0 241.335 0.168 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCNC(=O)NC(C)C ZINC000563366518 323121559 /nfs/dbraw/zinc/12/15/59/323121559.db2.gz QWQGFCDOUPIOJO-SNVBAGLBSA-N 1 0 226.324 0.976 20 30 BCEDRO C=CC[C@H](CC)NC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419135327 192101607 /nfs/dbraw/zinc/10/16/07/192101607.db2.gz LCPLKRJNGANSBB-ZJUUUORDSA-N 1 0 241.335 0.168 20 30 BCEDRO C[NH2+]CCN(C)C(=O)c1cccc(C#N)c1 ZINC000069801827 349960696 /nfs/dbraw/zinc/96/06/96/349960696.db2.gz JHGOOKMTIQEIJJ-UHFFFAOYSA-N 1 0 217.272 0.850 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000381621802 346460545 /nfs/dbraw/zinc/46/05/45/346460545.db2.gz AIFCPIJTSWVQBK-NXEZZACHSA-N 1 0 212.293 0.527 20 30 BCEDRO C#CCNC(=O)NCCC1CC[NH+](C)CC1 ZINC000170880588 346469569 /nfs/dbraw/zinc/46/95/69/346469569.db2.gz STYIPQVIQPULOS-UHFFFAOYSA-N 1 0 223.320 0.651 20 30 BCEDRO Cn1nnnc1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000381825156 346511865 /nfs/dbraw/zinc/51/18/65/346511865.db2.gz MCPSUYIUPKYIBD-IUCAKERBSA-N 1 0 220.280 0.034 20 30 BCEDRO C=CCN1CC[C@H](N[C@@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000641801416 362754872 /nfs/dbraw/zinc/75/48/72/362754872.db2.gz QMSBNEAJTDGYGC-GARJFASQSA-N 1 0 237.347 0.489 20 30 BCEDRO C=C(C)C[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626168094 346535978 /nfs/dbraw/zinc/53/59/78/346535978.db2.gz KCFQMIFONMJMLD-NSHDSACASA-N 1 0 246.376 0.824 20 30 BCEDRO C[NH+](C)CCn1cc(C(=O)NC2(C#N)CC2)cn1 ZINC000601180290 346610544 /nfs/dbraw/zinc/61/05/44/346610544.db2.gz LOAGAESKAUPKRE-UHFFFAOYSA-N 1 0 247.302 0.231 20 30 BCEDRO Cc1ccc(C#N)nc1NC[C@](C)(O)C[NH+](C)C ZINC000589113003 346667223 /nfs/dbraw/zinc/66/72/23/346667223.db2.gz PNLDOYWCQAAEKG-ZDUSSCGKSA-N 1 0 248.330 0.986 20 30 BCEDRO C[C@@H]1C[C@@H]1C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000580184762 346630030 /nfs/dbraw/zinc/63/00/30/346630030.db2.gz SNIFVGAKKRFQOH-IJLUTSLNSA-N 1 0 225.336 0.438 20 30 BCEDRO N#Cc1cccc(C(=O)NCCN2CCC2)n1 ZINC000589461910 346704799 /nfs/dbraw/zinc/70/47/99/346704799.db2.gz OCKXGMJDVQTYRR-UHFFFAOYSA-N 1 0 230.271 0.389 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(CC3(C#N)CC3)[C@@H]2C1 ZINC000590012782 346764256 /nfs/dbraw/zinc/76/42/56/346764256.db2.gz YEZRSILDDAXTMI-GHMZBOCLSA-N 1 0 205.305 0.926 20 30 BCEDRO C[C@H](CNC(=O)c1cccc(C#N)n1)C[NH+](C)C ZINC000590041993 346766721 /nfs/dbraw/zinc/76/67/21/346766721.db2.gz NAKNXPWZMIGKGC-SNVBAGLBSA-N 1 0 246.314 0.881 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1c1ccc(C#N)nn1 ZINC000590146882 346781095 /nfs/dbraw/zinc/78/10/95/346781095.db2.gz SLLOSTLOQXYZKQ-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO C[NH+]1CCC(NC(=O)CC2(C#N)CC2)CC1 ZINC000590131052 346779780 /nfs/dbraw/zinc/77/97/80/346779780.db2.gz RBAXCLWJBJWYAN-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCCO1 ZINC000182293649 346787819 /nfs/dbraw/zinc/78/78/19/346787819.db2.gz GRTSAQSTWJCOOF-UWVGGRQHSA-N 1 0 225.292 0.173 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000590442908 347116271 /nfs/dbraw/zinc/11/62/71/347116271.db2.gz CCNQJFSPLZVWHZ-BBBLOLIVSA-N 1 0 207.277 0.309 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)C(C)(C)C#N)[C@H]2C1 ZINC000590445910 347120111 /nfs/dbraw/zinc/12/01/11/347120111.db2.gz ULKPDEATGZNEBQ-ZJUUUORDSA-N 1 0 221.304 0.699 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)C(C)(C)C#N)[C@@H]2C1 ZINC000590445909 347120292 /nfs/dbraw/zinc/12/02/92/347120292.db2.gz ULKPDEATGZNEBQ-VHSXEESVSA-N 1 0 221.304 0.699 20 30 BCEDRO CC1(C#N)CCC([NH2+][C@@H]2COC[C@@H]2O)CC1 ZINC000601292058 347163296 /nfs/dbraw/zinc/16/32/96/347163296.db2.gz QJXWGJYQCDYPEK-UPOSSJBDSA-N 1 0 224.304 0.808 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C(C)(C)COC ZINC000382103206 347172530 /nfs/dbraw/zinc/17/25/30/347172530.db2.gz CDNYBLUTTJHQEM-UHFFFAOYSA-N 1 0 212.293 0.141 20 30 BCEDRO C=CC[NH+]1CCC(N(C)S(=O)(=O)CC)CC1 ZINC000109009779 347251451 /nfs/dbraw/zinc/25/14/51/347251451.db2.gz GGEVAAZQGFESDW-UHFFFAOYSA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCN(C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000368581487 347233693 /nfs/dbraw/zinc/23/36/93/347233693.db2.gz GNJAYVQSITXFQU-ZDUSSCGKSA-N 1 0 249.358 0.553 20 30 BCEDRO C#CC[N@H+](C)CCCNS(=O)(=O)C1CC1 ZINC000382246645 347249686 /nfs/dbraw/zinc/24/96/86/347249686.db2.gz TZFIBZAWVBPBKS-UHFFFAOYSA-N 1 0 230.333 0.023 20 30 BCEDRO [NH2+]=C(NC1CC1)N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190086679 347319851 /nfs/dbraw/zinc/31/98/51/347319851.db2.gz VKFBEDXBBUXXLV-BBBLOLIVSA-N 1 0 209.293 0.621 20 30 BCEDRO C[NH+](C)CCCCC(=O)N1CC(C#N)C1 ZINC000590486765 347379778 /nfs/dbraw/zinc/37/97/78/347379778.db2.gz FGZPYFXQHNJTMY-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C1CC(F)(F)C1 ZINC000582118148 347384396 /nfs/dbraw/zinc/38/43/96/347384396.db2.gz ZXNURESVYCVGEM-JTQLQIEISA-N 1 0 247.289 0.580 20 30 BCEDRO C[NH+]1CCC(CC(=O)N2CC(C#N)C2)CC1 ZINC000590490451 347395405 /nfs/dbraw/zinc/39/54/05/347395405.db2.gz HRGXNINXNNHBCQ-UHFFFAOYSA-N 1 0 221.304 0.700 20 30 BCEDRO CNC(=[NH2+])NC[C@H](c1ccco1)N1CCCC1 ZINC000195522117 347457281 /nfs/dbraw/zinc/45/72/81/347457281.db2.gz NXFPOIMUBVXJDV-SNVBAGLBSA-N 1 0 236.319 0.951 20 30 BCEDRO C=CC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000111259935 347473120 /nfs/dbraw/zinc/47/31/20/347473120.db2.gz UZCKZEZXCCPDOX-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO CC[N@H+](C)CCNS(=O)(=O)CCCC#N ZINC000111334038 347476608 /nfs/dbraw/zinc/47/66/08/347476608.db2.gz FBAFTVJHYJOKQA-UHFFFAOYSA-N 1 0 233.337 0.161 20 30 BCEDRO C=CCNC(=O)CNC(=O)C(CC)(CC)C[NH3+] ZINC000393830540 259396207 /nfs/dbraw/zinc/39/62/07/259396207.db2.gz VPFOSEJVSCLARB-UHFFFAOYSA-N 1 0 241.335 0.170 20 30 BCEDRO CCN(CCO)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336776721 347508229 /nfs/dbraw/zinc/50/82/29/347508229.db2.gz GLDYMLILHFOELE-VXGBXAGGSA-N 1 0 225.336 0.582 20 30 BCEDRO C=CCOCCNC(=O)NCC[N@@H+](C)C(C)C ZINC000679487469 488354861 /nfs/dbraw/zinc/35/48/61/488354861.db2.gz IFLJJCIDOOYSIS-UHFFFAOYSA-N 1 0 243.351 0.828 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000617007717 347577043 /nfs/dbraw/zinc/57/70/43/347577043.db2.gz YXRGDFSODUGILU-VHSXEESVSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CCC[N@H+]1CCCN([C@@H](C)CO)CC1 ZINC000364892807 347583123 /nfs/dbraw/zinc/58/31/23/347583123.db2.gz HBBPWXBUZBHHFZ-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@@H](C)C#N ZINC000590936360 347592763 /nfs/dbraw/zinc/59/27/63/347592763.db2.gz XPLLMQPDPQKPGQ-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO C=CCn1cc(C(=O)NC2CC([NH+](C)C)C2)nn1 ZINC000622007195 370658673 /nfs/dbraw/zinc/65/86/73/370658673.db2.gz UXXOSLUNFOJMTJ-UHFFFAOYSA-N 1 0 249.318 0.287 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000591188214 347631781 /nfs/dbraw/zinc/63/17/81/347631781.db2.gz QNXZQEVVPDTPRD-GFCCVEGCSA-N 1 0 238.331 0.886 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH+]1CC(C2CC2)C1 ZINC000591241517 347633149 /nfs/dbraw/zinc/63/31/49/347633149.db2.gz XKTZPMVSTJVTEU-ZDUSSCGKSA-N 1 0 237.347 0.535 20 30 BCEDRO C=CCSCCNC(=O)NC/C=C/C[NH3+] ZINC000591348126 347642463 /nfs/dbraw/zinc/64/24/63/347642463.db2.gz SXRRUNJXDMIVTK-ONEGZZNKSA-N 1 0 229.349 0.720 20 30 BCEDRO CC(C)(C#N)CNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591356683 347644419 /nfs/dbraw/zinc/64/44/19/347644419.db2.gz YEGGBTFCVRRNLR-SNVBAGLBSA-N 1 0 238.335 0.977 20 30 BCEDRO CC[NH2+]CCNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000591359383 347645308 /nfs/dbraw/zinc/64/53/08/347645308.db2.gz GEWGPFWDKZWQMO-SNVBAGLBSA-N 1 0 228.271 0.243 20 30 BCEDRO N#C[C@@]1(F)CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000591359504 347645386 /nfs/dbraw/zinc/64/53/86/347645386.db2.gz BKEZFHDYUQSSLX-ONGXEEELSA-N 1 0 240.282 0.386 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000591359979 347645491 /nfs/dbraw/zinc/64/54/91/347645491.db2.gz SALMXSSWNUSCRP-PWSUYJOCSA-N 1 0 238.335 0.916 20 30 BCEDRO CC#CCNC(=O)[C@@H]1CCc2nccn2C1 ZINC000364950452 347607345 /nfs/dbraw/zinc/60/73/45/347607345.db2.gz OUXVCDUGNFAZFB-SNVBAGLBSA-N 1 0 217.272 0.585 20 30 BCEDRO C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1CCC1 ZINC000591757244 347691462 /nfs/dbraw/zinc/69/14/62/347691462.db2.gz DHQBPVUDUITFGK-DGCLKSJQSA-N 1 0 239.363 0.971 20 30 BCEDRO C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[NH+](C)C ZINC000591796980 347697160 /nfs/dbraw/zinc/69/71/60/347697160.db2.gz JSVIQKXULRKBOG-LPEHRKFASA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1cncc(C#N)n1 ZINC000591460069 347665751 /nfs/dbraw/zinc/66/57/51/347665751.db2.gz LLJCFQCXBUOKHI-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@H](Nc1cncc(C#N)n1)[C@@H]1CN(C)CCO1 ZINC000591460873 347665855 /nfs/dbraw/zinc/66/58/55/347665855.db2.gz CYDURGFEEVQOHH-ONGXEEELSA-N 1 0 247.302 0.479 20 30 BCEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000592217428 347762956 /nfs/dbraw/zinc/76/29/56/347762956.db2.gz MJDUWWGZFAQEMA-IQJOONFLSA-N 1 0 242.298 0.759 20 30 BCEDRO C[C@@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)CO1 ZINC000592363311 347774258 /nfs/dbraw/zinc/77/42/58/347774258.db2.gz PWQOPSRLJWMTGT-ZYHUDNBSSA-N 1 0 223.320 0.741 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)Cn2cncn2)CC1 ZINC000592068754 347726720 /nfs/dbraw/zinc/72/67/20/347726720.db2.gz YFAITDWPKJHFQO-UHFFFAOYSA-N 1 0 249.318 0.045 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000592129367 347739055 /nfs/dbraw/zinc/73/90/55/347739055.db2.gz AHXQFWHANUTRNO-GMTAPVOTSA-N 1 0 227.304 0.664 20 30 BCEDRO CC[C@@H](C)NC(=O)CN1CC[C@](O)(CC#N)C1 ZINC000592147423 347739507 /nfs/dbraw/zinc/73/95/07/347739507.db2.gz LOZRLFZBBFZAGO-ZYHUDNBSSA-N 1 0 239.319 0.252 20 30 BCEDRO Cc1cc(CN2CC[C@@](O)(CC#N)C2)nn1C ZINC000592149223 347740971 /nfs/dbraw/zinc/74/09/71/347740971.db2.gz KYVNOCQDGCTWPX-LBPRGKRZSA-N 1 0 234.303 0.579 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CC2(O)CCCC2)C1 ZINC000592151804 347742953 /nfs/dbraw/zinc/74/29/53/347742953.db2.gz RJCWEFVMUWWNDT-LBPRGKRZSA-N 1 0 224.304 0.642 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000592154584 347744169 /nfs/dbraw/zinc/74/41/69/347744169.db2.gz UKKYAAGLOUYWNW-RYUDHWBXSA-N 1 0 224.304 0.906 20 30 BCEDRO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592155054 347745185 /nfs/dbraw/zinc/74/51/85/347745185.db2.gz WYINTNOMPRFEDR-ZYHUDNBSSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@](O)(CC#N)C2)O1 ZINC000592155304 347745279 /nfs/dbraw/zinc/74/52/79/347745279.db2.gz ZRKOJIPIZQEFGX-GRYCIOLGSA-N 1 0 224.304 0.904 20 30 BCEDRO C=C(CC)C[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592203311 347754658 /nfs/dbraw/zinc/75/46/58/347754658.db2.gz GHKAJEQDWQXOMC-MNOVXSKESA-N 1 0 227.304 0.808 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000592569094 347798387 /nfs/dbraw/zinc/79/83/87/347798387.db2.gz ZCPDLWWLYGQAQZ-LXUNUROVSA-N 1 0 219.288 0.545 20 30 BCEDRO N#CCC[C@@H](C#N)C[NH2+]CC1(CO)CC1 ZINC000592430469 347785855 /nfs/dbraw/zinc/78/58/55/347785855.db2.gz RXNNRGPIHJGFJB-JTQLQIEISA-N 1 0 207.277 0.792 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000137401359 166272367 /nfs/dbraw/zinc/27/23/67/166272367.db2.gz VWUMOLSAWPOFEG-GXSJLCMTSA-N 1 0 226.320 0.821 20 30 BCEDRO CN(CCO)Cc1cnc2c(C#N)cnn2c1 ZINC000592496825 347788505 /nfs/dbraw/zinc/78/85/05/347788505.db2.gz PUGCBTWMUUMLOA-UHFFFAOYSA-N 1 0 231.259 0.025 20 30 BCEDRO C[NH2+]CCCN(C)Cc1ccncc1C#N ZINC000592495868 347788530 /nfs/dbraw/zinc/78/85/30/347788530.db2.gz UFXBEDIQUYPGRA-UHFFFAOYSA-N 1 0 218.304 0.995 20 30 BCEDRO C[C@]1(F)C[NH2+]CCN(c2cncc(C#N)n2)C1 ZINC000592468858 347789425 /nfs/dbraw/zinc/78/94/25/347789425.db2.gz UUAAQLRYNMSUNI-NSHDSACASA-N 1 0 235.266 0.486 20 30 BCEDRO N#Cc1cnccc1CN1CC[C@@H](C[NH3+])C1 ZINC000592471477 347790090 /nfs/dbraw/zinc/79/00/90/347790090.db2.gz KUZFZJAVWYITOI-JTQLQIEISA-N 1 0 216.288 0.734 20 30 BCEDRO C[NH2+]C[C@@H]1CCN(Cc2ccncc2C#N)C1 ZINC000592472593 347790751 /nfs/dbraw/zinc/79/07/51/347790751.db2.gz BQIXHSIBIDIMEQ-NSHDSACASA-N 1 0 230.315 0.995 20 30 BCEDRO N#CC1(C[NH2+]C[C@H]2CNc3ccnn3C2)CC1 ZINC000592510543 347792839 /nfs/dbraw/zinc/79/28/39/347792839.db2.gz IWQCZSGPEPAEJU-JTQLQIEISA-N 1 0 231.303 0.818 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000593029962 347842118 /nfs/dbraw/zinc/84/21/18/347842118.db2.gz XRYOEDPAPRWXCW-VHSXEESVSA-N 1 0 209.293 0.876 20 30 BCEDRO N#CC[C@]1(O)CCN(Cc2cc3n(n2)CCC3)C1 ZINC000593034476 347842498 /nfs/dbraw/zinc/84/24/98/347842498.db2.gz IJCYAPNHQRJMEP-ZDUSSCGKSA-N 1 0 246.314 0.680 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CN1CCN(CCC#N)CC1 ZINC000593017287 347845392 /nfs/dbraw/zinc/84/53/92/347845392.db2.gz BEBQSYHHCQLTDL-CYBMUJFWSA-N 1 0 236.363 0.612 20 30 BCEDRO C=CCC[C@H](O)C[NH2+]C1(CC(=O)OC)CC1 ZINC000593059051 347848186 /nfs/dbraw/zinc/84/81/86/347848186.db2.gz WHQGCUVNQFAZRJ-JTQLQIEISA-N 1 0 227.304 0.999 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178589149 166274300 /nfs/dbraw/zinc/27/43/00/166274300.db2.gz YUACEAHWKIGCPN-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000269114794 166274870 /nfs/dbraw/zinc/27/48/70/166274870.db2.gz HBASEXTXQONAGG-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000593415779 347893760 /nfs/dbraw/zinc/89/37/60/347893760.db2.gz VNSCFYWTOQSHLF-GXSJLCMTSA-N 1 0 223.320 0.993 20 30 BCEDRO CC[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000593457702 347898907 /nfs/dbraw/zinc/89/89/07/347898907.db2.gz IEFDUJZNWZDGHJ-WDEREUQCSA-N 1 0 239.319 0.373 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000593467949 347900305 /nfs/dbraw/zinc/90/03/05/347900305.db2.gz PQLMZZURMACCTA-GHMZBOCLSA-N 1 0 223.320 0.946 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000593735797 347938761 /nfs/dbraw/zinc/93/87/61/347938761.db2.gz XYYRPFOOKLOANO-GARJFASQSA-N 1 0 221.304 0.699 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000593502361 347907240 /nfs/dbraw/zinc/90/72/40/347907240.db2.gz QDEMFBNSQYWCLI-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO N#Cc1ccnc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)c1 ZINC000593506757 347908547 /nfs/dbraw/zinc/90/85/47/347908547.db2.gz AZLOEKRYTZTECL-GFCCVEGCSA-N 1 0 244.298 0.208 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1CC[NH+]2CCC1CC2 ZINC000593642370 347925434 /nfs/dbraw/zinc/92/54/34/347925434.db2.gz HNXHLHIPEAMZEI-JTQLQIEISA-N 1 0 221.304 0.843 20 30 BCEDRO CC[C@H](C#N)C(=O)NCCNc1cc[nH+]cc1 ZINC000593893918 347957853 /nfs/dbraw/zinc/95/78/53/347957853.db2.gz OQUJTGAPYRIRLY-SNVBAGLBSA-N 1 0 232.287 0.581 20 30 BCEDRO Cc1nc(C(=O)N2CCC[C@@H]2C[NH3+])ccc1C#N ZINC000593903213 347967341 /nfs/dbraw/zinc/96/73/41/347967341.db2.gz SAKBDXAAPDYMRE-LLVKDONJSA-N 1 0 244.298 0.825 20 30 BCEDRO N#CC1(C(=O)N[C@H]2CC[NH2+]C2)CCCC1 ZINC000593904075 347968063 /nfs/dbraw/zinc/96/80/63/347968063.db2.gz HUBNHUFQEWMJIW-VIFPVBQESA-N 1 0 207.277 0.548 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000577409310 365948830 /nfs/dbraw/zinc/94/88/30/365948830.db2.gz UYGIBSHRTMGTAC-ZJUUUORDSA-N 1 0 209.293 0.604 20 30 BCEDRO CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCCCO1 ZINC000594044265 347987801 /nfs/dbraw/zinc/98/78/01/347987801.db2.gz QHWKXEVZTSFISG-QWRGUYRKSA-N 1 0 239.319 0.563 20 30 BCEDRO CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1CCCCO1 ZINC000594044267 347987814 /nfs/dbraw/zinc/98/78/14/347987814.db2.gz QHWKXEVZTSFISG-WDEREUQCSA-N 1 0 239.319 0.563 20 30 BCEDRO Cn1cnnc1N1CC[NH+](CCCCC#N)CC1 ZINC000594023712 347991375 /nfs/dbraw/zinc/99/13/75/347991375.db2.gz SQRWJFMCDRRPGM-UHFFFAOYSA-N 1 0 248.334 0.631 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000491793360 490119379 /nfs/dbraw/zinc/11/93/79/490119379.db2.gz KNNZDLDUMMJZDK-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO CC(C)[C@](C)([NH2+]Cc1ccc(C#N)cn1)C(N)=O ZINC000593986439 347979610 /nfs/dbraw/zinc/97/96/10/347979610.db2.gz BGLXRFSILNXITP-ZDUSSCGKSA-N 1 0 246.314 0.943 20 30 BCEDRO Cn1nnc2c1CC[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C2 ZINC000594523677 348069568 /nfs/dbraw/zinc/06/95/68/348069568.db2.gz YZQZNAHIQWAHFF-DCAQKATOSA-N 1 0 245.330 0.954 20 30 BCEDRO C[NH+](C)[C@H]1CN(C(=O)CCCCC#N)C[C@@H]1O ZINC000594359131 348041956 /nfs/dbraw/zinc/04/19/56/348041956.db2.gz ONPOLQMPPYLRKV-QWRGUYRKSA-N 1 0 239.319 0.204 20 30 BCEDRO COC(=O)CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594427947 348043843 /nfs/dbraw/zinc/04/38/43/348043843.db2.gz JVEIVQQYFWMYPR-VIFPVBQESA-N 1 0 241.291 0.077 20 30 BCEDRO COC[C@H](C)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594430704 348045827 /nfs/dbraw/zinc/04/58/27/348045827.db2.gz BEFKOSRDDLKUHE-MNOVXSKESA-N 1 0 241.335 0.796 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCn1cccn1 ZINC000594436043 348046736 /nfs/dbraw/zinc/04/67/36/348046736.db2.gz LDUOCDFGWAQOOG-LLVKDONJSA-N 1 0 249.318 0.411 20 30 BCEDRO CCC[C@H](O)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594434731 348046831 /nfs/dbraw/zinc/04/68/31/348046831.db2.gz SEPWYCQJGOIVPQ-WDEREUQCSA-N 1 0 241.335 0.675 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000594405652 348047857 /nfs/dbraw/zinc/04/78/57/348047857.db2.gz ZCBJVGYDXWBMST-JGZJWPJOSA-N 1 0 246.314 0.956 20 30 BCEDRO C[NH+](C)CC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594409369 348047925 /nfs/dbraw/zinc/04/79/25/348047925.db2.gz UPSPEISBAMHMSM-UHFFFAOYSA-N 1 0 229.283 0.962 20 30 BCEDRO N#CCCCCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000594424487 348051476 /nfs/dbraw/zinc/05/14/76/348051476.db2.gz FHKJDDVWJGRUAG-SNVBAGLBSA-N 1 0 209.293 0.939 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccncc1O ZINC000594469370 348053819 /nfs/dbraw/zinc/05/38/19/348053819.db2.gz VSRZJBHVCOIEBT-VIFPVBQESA-N 1 0 248.286 0.559 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CO1 ZINC000594449782 348057500 /nfs/dbraw/zinc/05/75/00/348057500.db2.gz NUFNEDMLYUIJET-VWYCJHECSA-N 1 0 239.319 0.691 20 30 BCEDRO C[C@@H]1C[C@@H](NC(=O)[C@@H]([NH3+])CCCCC#N)CO1 ZINC000594449780 348057598 /nfs/dbraw/zinc/05/75/98/348057598.db2.gz NUFNEDMLYUIJET-MXWKQRLJSA-N 1 0 239.319 0.691 20 30 BCEDRO CO[C@](C)(CO)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000594513849 348062019 /nfs/dbraw/zinc/06/20/19/348062019.db2.gz SZFVIJGEXCKFQS-AXFHLTTASA-N 1 0 212.293 0.666 20 30 BCEDRO CO[C@H](C[NH2+][C@H](C)CC#N)[C@H]1CCOC1 ZINC000594710464 348104429 /nfs/dbraw/zinc/10/44/29/348104429.db2.gz LGGHOBGSUXWEOR-OUAUKWLOSA-N 1 0 212.293 0.930 20 30 BCEDRO C[N@H+](C[C@@H](O)CN1CC(CC#N)C1)C1CC1 ZINC000594716177 348106138 /nfs/dbraw/zinc/10/61/38/348106138.db2.gz LGICXKNGMGVFRL-GFCCVEGCSA-N 1 0 223.320 0.287 20 30 BCEDRO C[N@H+](C[C@H](O)CN1CC(CC#N)C1)C1CC1 ZINC000594716178 348106391 /nfs/dbraw/zinc/10/63/91/348106391.db2.gz LGICXKNGMGVFRL-LBPRGKRZSA-N 1 0 223.320 0.287 20 30 BCEDRO C=CCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000594718225 348106983 /nfs/dbraw/zinc/10/69/83/348106983.db2.gz KZMTYIUBPPAEDQ-LLVKDONJSA-N 1 0 211.309 0.358 20 30 BCEDRO C=CCCSCC[NH2+]C[C@H](O)COC ZINC000594717639 348107008 /nfs/dbraw/zinc/10/70/08/348107008.db2.gz DKOAZFFQGVSVDE-JTQLQIEISA-N 1 0 219.350 0.893 20 30 BCEDRO C=CCCSCC[NH2+]CCC(=O)NC(N)=O ZINC000594717634 348107066 /nfs/dbraw/zinc/10/70/66/348107066.db2.gz DDSKXABROJPRSV-UHFFFAOYSA-N 1 0 245.348 0.470 20 30 BCEDRO N#CCCCn1cc(CSCC[NH3+])nn1 ZINC000594649230 348088217 /nfs/dbraw/zinc/08/82/17/348088217.db2.gz HHOJHDVTWQJCCF-UHFFFAOYSA-N 1 0 225.321 0.774 20 30 BCEDRO N#Cc1ccccc1-n1cc(C[C@H]([NH3+])CO)nn1 ZINC000594652200 348090567 /nfs/dbraw/zinc/09/05/67/348090567.db2.gz PSCJXZMMONFSME-JTQLQIEISA-N 1 0 243.270 0.001 20 30 BCEDRO CC[C@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CO1 ZINC000594941066 348143725 /nfs/dbraw/zinc/14/37/25/348143725.db2.gz QKAWEQAMMJRHPL-ZJUUUORDSA-N 1 0 235.291 0.307 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+]CCCCC#N ZINC000595012834 348185401 /nfs/dbraw/zinc/18/54/01/348185401.db2.gz PCYBGDFLZITZGA-SNVBAGLBSA-N 1 0 207.281 0.950 20 30 BCEDRO CC(C)(C[NH3+])NS(=O)(=O)c1ccc(C#N)o1 ZINC000595102998 348196183 /nfs/dbraw/zinc/19/61/83/348196183.db2.gz SNORJGSOOZWKNQ-UHFFFAOYSA-N 1 0 243.288 0.167 20 30 BCEDRO CC1(C#N)CN(CC2(O)CCOCC2)C1 ZINC000563822261 323179421 /nfs/dbraw/zinc/17/94/21/323179421.db2.gz ZGNZJSHRQBQQRA-UHFFFAOYSA-N 1 0 210.277 0.373 20 30 BCEDRO C[NH2+][C@@H](C)C(=O)NCCc1ccc(C#N)cc1 ZINC000595255598 348203838 /nfs/dbraw/zinc/20/38/38/348203838.db2.gz GDRJETVXHIACHL-JTQLQIEISA-N 1 0 231.299 0.825 20 30 BCEDRO C[C@H]([NH3+])C(=O)NCC1(C#N)CCCCC1 ZINC000595257876 348204749 /nfs/dbraw/zinc/20/47/49/348204749.db2.gz APGFRWRGXYHPIR-VIFPVBQESA-N 1 0 209.293 0.924 20 30 BCEDRO N#CC1(CNC(=O)N2CC3CC2(C[NH3+])C3)CC1 ZINC000595263348 348207012 /nfs/dbraw/zinc/20/70/12/348207012.db2.gz UJRYNXXPLSNLJC-UHFFFAOYSA-N 1 0 234.303 0.423 20 30 BCEDRO C=CCCSCCNC(=O)NC[C@@H](C)[NH3+] ZINC000595265158 348207702 /nfs/dbraw/zinc/20/77/02/348207702.db2.gz KUPKEJSMZABTCP-SECBINFHSA-N 1 0 231.365 0.942 20 30 BCEDRO CC(C)([NH3+])CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595266102 348208593 /nfs/dbraw/zinc/20/85/93/348208593.db2.gz ZLLXLELWSKGDPF-NSHDSACASA-N 1 0 224.308 0.669 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000595267016 348209278 /nfs/dbraw/zinc/20/92/78/348209278.db2.gz DRYFRBIVXGDCFH-JQWIXIFHSA-N 1 0 236.319 0.684 20 30 BCEDRO N#Cc1ccc(CCNC(=O)NCCC[NH3+])cc1 ZINC000595267121 348209331 /nfs/dbraw/zinc/20/93/31/348209331.db2.gz GWZZEUFALOECSO-UHFFFAOYSA-N 1 0 246.314 0.749 20 30 BCEDRO C=CCCSCCNC(=O)N1CC[NH2+]CC1 ZINC000595271660 348209966 /nfs/dbraw/zinc/20/99/66/348209966.db2.gz NBBTULJEBGCQEE-UHFFFAOYSA-N 1 0 243.376 0.911 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000595274517 348210793 /nfs/dbraw/zinc/21/07/93/348210793.db2.gz RYGNTCNCECGNIV-FYLLDIAZSA-N 1 0 234.303 0.149 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@@H](C)C#N ZINC000595275075 348211152 /nfs/dbraw/zinc/21/11/52/348211152.db2.gz FYTXEEAALZXCAO-DTWKUNHWSA-N 1 0 212.297 0.395 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N(C)CC(C)(C)C#N ZINC000595275959 348211172 /nfs/dbraw/zinc/21/11/72/348211172.db2.gz SQCURBYIEMACLQ-VIFPVBQESA-N 1 0 226.324 0.785 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000595275009 348211185 /nfs/dbraw/zinc/21/11/85/348211185.db2.gz DGDIMFJKUKFQDH-WCBMZHEXSA-N 1 0 228.271 0.241 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N(C)C[C@@H](C)C#N ZINC000595275077 348211352 /nfs/dbraw/zinc/21/13/52/348211352.db2.gz FYTXEEAALZXCAO-IUCAKERBSA-N 1 0 212.297 0.395 20 30 BCEDRO C[C@@H]1CN(CCc2ccc(C#N)cc2)CC(=O)N1 ZINC000595515784 348259899 /nfs/dbraw/zinc/25/98/99/348259899.db2.gz AQXQZZLHAWQDDL-LLVKDONJSA-N 1 0 243.310 0.921 20 30 BCEDRO C[C@@H]1C[N@H+](CCO)[C@H](C)CN1CCCC#N ZINC000595548930 348268504 /nfs/dbraw/zinc/26/85/04/348268504.db2.gz BFDLQLSFWHYGQE-VXGBXAGGSA-N 1 0 225.336 0.677 20 30 BCEDRO CN(C)C(=O)CN(C)[C@H]1CCC[C@@H]1C#N ZINC000037270701 348296541 /nfs/dbraw/zinc/29/65/41/348296541.db2.gz BWEUTVNDYFTQKC-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CC[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000595657767 348298076 /nfs/dbraw/zinc/29/80/76/348298076.db2.gz BXBMNQHDIHFCTE-SNVBAGLBSA-N 1 0 239.319 0.860 20 30 BCEDRO CCC#C[C@@H](C)[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595665204 348301691 /nfs/dbraw/zinc/30/16/91/348301691.db2.gz UVWRTNBQDCQGPV-MXWKQRLJSA-N 1 0 225.288 0.708 20 30 BCEDRO C=CC[N@H+](C[C@](C)(O)C(=O)OC)[C@@H](C)COC ZINC000595639830 348303559 /nfs/dbraw/zinc/30/35/59/348303559.db2.gz XGCJNRDMTLFMKI-JQWIXIFHSA-N 1 0 245.319 0.433 20 30 BCEDRO C=C(C)C[N@H+]1C[C@H](C)N(CCO)C[C@@H]1C ZINC000419326002 192121687 /nfs/dbraw/zinc/12/16/87/192121687.db2.gz LMSSAQCLUDDGQQ-RYUDHWBXSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](C)N(CCO)C[C@H]1C ZINC000419328231 192121879 /nfs/dbraw/zinc/12/18/79/192121879.db2.gz OGQKTCFKSYCNAR-VXGBXAGGSA-N 1 0 212.337 0.949 20 30 BCEDRO C[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1CCO ZINC000595706056 348308325 /nfs/dbraw/zinc/30/83/25/348308325.db2.gz XDSXFWOGCZDTEK-GHMZBOCLSA-N 1 0 239.319 0.109 20 30 BCEDRO C[C@@H]1C[N@@H+](CCOCCC#N)C[C@H](C)[C@H]1O ZINC000595734027 348318170 /nfs/dbraw/zinc/31/81/70/348318170.db2.gz SYKLIBBSHLWZRO-GDNZZTSVSA-N 1 0 226.320 0.865 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000595808652 348348886 /nfs/dbraw/zinc/34/88/86/348348886.db2.gz ORZRNLQXPKRSTN-UWVGGRQHSA-N 1 0 237.303 0.340 20 30 BCEDRO C[C@@H](CNC[C@H](C#N)CCC#N)[NH+](C)C ZINC000309006588 323184236 /nfs/dbraw/zinc/18/42/36/323184236.db2.gz QBBRCSMPALWQMG-QWRGUYRKSA-N 1 0 208.309 0.970 20 30 BCEDRO C[C@@]12COC[C@@H]1C[N@H+](CCOCCC#N)C2 ZINC000595760583 348332934 /nfs/dbraw/zinc/33/29/34/348332934.db2.gz UEFSUAGBMDNVTK-NWDGAFQWSA-N 1 0 224.304 0.885 20 30 BCEDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CCOCCC#N ZINC000595767512 348334864 /nfs/dbraw/zinc/33/48/64/348334864.db2.gz YEEKDBAYOBXIAZ-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO CNC(=O)CCC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595840780 348375217 /nfs/dbraw/zinc/37/52/17/348375217.db2.gz FGRXHJAUEKLWPT-LLVKDONJSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@]1(C#N)CC[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000595842214 348378157 /nfs/dbraw/zinc/37/81/57/348378157.db2.gz QASIPDFVANSCOQ-CMPLNLGQSA-N 1 0 221.304 0.748 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@](C)(C#N)C1 ZINC000595842875 348378680 /nfs/dbraw/zinc/37/86/80/348378680.db2.gz WARBCXVHMQBSDI-CHWSQXEVSA-N 1 0 239.363 0.923 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@](C)(C#N)C1 ZINC000595842879 348379160 /nfs/dbraw/zinc/37/91/60/348379160.db2.gz WARBCXVHMQBSDI-QWHCGFSZSA-N 1 0 239.363 0.923 20 30 BCEDRO C[C@H]1C[N@H+](CCOCCC#N)C[C@@]1(C)CO ZINC000595861624 348382857 /nfs/dbraw/zinc/38/28/57/348382857.db2.gz XHKDUBYRQMHCSC-RYUDHWBXSA-N 1 0 226.320 0.867 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NC1(C#N)CCC1 ZINC000595864069 348383713 /nfs/dbraw/zinc/38/37/13/348383713.db2.gz OPHRFDOKCSRQJU-NXEZZACHSA-N 1 0 237.303 0.074 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccnc(C#N)c1 ZINC000595864112 348383767 /nfs/dbraw/zinc/38/37/67/348383767.db2.gz QPODDLSKKDRAIX-SNVBAGLBSA-N 1 0 203.245 0.590 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC#N ZINC000595845623 348355438 /nfs/dbraw/zinc/35/54/38/348355438.db2.gz RIJFEWLHGWYCJF-PHIMTYICSA-N 1 0 219.288 0.809 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000595963300 348406281 /nfs/dbraw/zinc/40/62/81/348406281.db2.gz KPIHVYQQHZHMFW-LNFKQOIKSA-N 1 0 237.303 0.159 20 30 BCEDRO CC[C@H]([NH3+])C(=O)NCCc1ccc(C#N)cc1 ZINC000595939008 348408841 /nfs/dbraw/zinc/40/88/41/348408841.db2.gz SLPZLIZJKWQAIO-LBPRGKRZSA-N 1 0 231.299 0.954 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCCOCCF ZINC000595991119 348420869 /nfs/dbraw/zinc/42/08/69/348420869.db2.gz GKQWZTABPWMILK-SNVBAGLBSA-N 1 0 245.298 0.500 20 30 BCEDRO C[C@]1(C#N)CCN([C@H]2CC(=O)N(C3CC3)C2=O)C1 ZINC000596010462 348413174 /nfs/dbraw/zinc/41/31/74/348413174.db2.gz AQJNAAABFJMQDE-GXFFZTMASA-N 1 0 247.298 0.512 20 30 BCEDRO CC(C)([NH3+])CC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595980460 348415088 /nfs/dbraw/zinc/41/50/88/348415088.db2.gz INSXEEIMHQIONK-NSHDSACASA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000595980158 348415265 /nfs/dbraw/zinc/41/52/65/348415265.db2.gz GOEMCROHGQVXOV-GFCCVEGCSA-N 1 0 230.271 0.870 20 30 BCEDRO C[NH2+]CCCC(=O)N1CC[C@](C)(C#N)C1 ZINC000595980732 348415774 /nfs/dbraw/zinc/41/57/74/348415774.db2.gz JSNLSJGMWNNOIJ-LLVKDONJSA-N 1 0 209.293 0.748 20 30 BCEDRO C[NH2+]C[C@H](C)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595981131 348415880 /nfs/dbraw/zinc/41/58/80/348415880.db2.gz MXIPTRDKQVILLE-GXSJLCMTSA-N 1 0 209.293 0.604 20 30 BCEDRO C[C@H]([NH3+])CCC(=O)N1CC[C@](C)(C#N)C1 ZINC000595981074 348415937 /nfs/dbraw/zinc/41/59/37/348415937.db2.gz MBKWZJMAZOEGAR-GXSJLCMTSA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000595981125 348416044 /nfs/dbraw/zinc/41/60/44/348416044.db2.gz MWGGYUPGWCCQER-PWSUYJOCSA-N 1 0 221.304 0.876 20 30 BCEDRO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@](C)(C#N)C1 ZINC000595982726 348417522 /nfs/dbraw/zinc/41/75/22/348417522.db2.gz WYDHWFFLYNOLHN-MWLCHTKSSA-N 1 0 209.293 0.732 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000595982862 348418222 /nfs/dbraw/zinc/41/82/22/348418222.db2.gz YFKLDUNIGNPFMB-PWSUYJOCSA-N 1 0 221.304 0.748 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000595982854 348418568 /nfs/dbraw/zinc/41/85/68/348418568.db2.gz YEFBSBKFKYFKSV-CMPLNLGQSA-N 1 0 237.303 0.127 20 30 BCEDRO N#Cc1cnccc1CN1CC2CC1(C[NH3+])C2 ZINC000595903054 348395402 /nfs/dbraw/zinc/39/54/02/348395402.db2.gz GBWCEGKBQBCUTG-UHFFFAOYSA-N 1 0 228.299 0.876 20 30 BCEDRO CC(C)([NH3+])c1noc(CN2CC[C@](C)(C#N)C2)n1 ZINC000595905074 348396160 /nfs/dbraw/zinc/39/61/60/348396160.db2.gz PTXTXNCPQXGANB-GFCCVEGCSA-N 1 0 249.318 0.999 20 30 BCEDRO C[NH+](C)CCC[C@@H]1CN(CC#N)CCO1 ZINC000595905654 348396507 /nfs/dbraw/zinc/39/65/07/348396507.db2.gz FHLWTOMPUBQJNP-LLVKDONJSA-N 1 0 211.309 0.553 20 30 BCEDRO C=C(C)C[N@H+]1CCC[C@@H]1C(=O)NCC(=O)OC ZINC000419341716 192125383 /nfs/dbraw/zinc/12/53/83/192125383.db2.gz AWLKQRWKYIKXAB-SNVBAGLBSA-N 1 0 240.303 0.316 20 30 BCEDRO COC(=O)c1ccc(NC[C@@H](C)[NH3+])c(C#N)n1 ZINC000596013665 348429968 /nfs/dbraw/zinc/42/99/68/348429968.db2.gz JHUXOOXEGYFYDZ-SSDOTTSWSA-N 1 0 234.259 0.499 20 30 BCEDRO N#Cc1cnc(N2CC[NH2+]CC2)c(F)c1 ZINC000596015317 348430693 /nfs/dbraw/zinc/43/06/93/348430693.db2.gz BGRQNUNFQRJFEC-UHFFFAOYSA-N 1 0 206.224 0.502 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1=CCCC1 ZINC000596065419 348436192 /nfs/dbraw/zinc/43/61/92/348436192.db2.gz IFGZLSOZDNQYDI-CYBMUJFWSA-N 1 0 237.347 0.893 20 30 BCEDRO CC(C)[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596074276 348437943 /nfs/dbraw/zinc/43/79/43/348437943.db2.gz DEBVEIOXCWJDHY-UHFFFAOYSA-N 1 0 233.319 0.822 20 30 BCEDRO C[C@H]1CN(CCNc2c(C#N)cnn2C)CCO1 ZINC000596102479 348439280 /nfs/dbraw/zinc/43/92/80/348439280.db2.gz UGRGVEIQPWWGFJ-JTQLQIEISA-N 1 0 249.318 0.424 20 30 BCEDRO N#Cc1ccncc1N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000596024728 348424680 /nfs/dbraw/zinc/42/46/80/348424680.db2.gz XGIZEAMKPPKNPJ-NXEZZACHSA-N 1 0 220.251 0.829 20 30 BCEDRO C[C@@H]1CN(c2c(C#N)cnn2C)C[C@H](C)[N@H+]1C ZINC000596247288 348486964 /nfs/dbraw/zinc/48/69/64/348486964.db2.gz NBFDTPUBNONDRT-AOOOYVTPSA-N 1 0 233.319 0.821 20 30 BCEDRO N#Cc1cnnc(N2CC[C@H]([NH+]3CC=CC3)C2)c1 ZINC000596143131 348450065 /nfs/dbraw/zinc/45/00/65/348450065.db2.gz YHANQGBOIFMFFL-LBPRGKRZSA-N 1 0 241.298 0.799 20 30 BCEDRO Cn1ncc(C#N)c1NCC1=CC[N@H+](C)CC1 ZINC000596183788 348455896 /nfs/dbraw/zinc/45/58/96/348455896.db2.gz BLYBVJDHMFKQLG-UHFFFAOYSA-N 1 0 231.303 0.966 20 30 BCEDRO Cn1ncc(C#N)c1NC[C@@](C)(O)C[NH+](C)C ZINC000596173380 348461629 /nfs/dbraw/zinc/46/16/29/348461629.db2.gz UNKWMPZEAGUHAF-LLVKDONJSA-N 1 0 237.307 0.016 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc(C#N)cnn1 ZINC000596177125 348462367 /nfs/dbraw/zinc/46/23/67/348462367.db2.gz DZFREFOFKXKWHA-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO Cn1cncc1CCn1ccn2ncc(C#N)c12 ZINC000596275579 348494765 /nfs/dbraw/zinc/49/47/65/348494765.db2.gz VZHFHYWIBCJYNT-UHFFFAOYSA-N 1 0 240.270 0.984 20 30 BCEDRO C[C@@H](CNc1c(C#N)cnn1C)C[NH+](C)C ZINC000596237135 348482542 /nfs/dbraw/zinc/48/25/42/348482542.db2.gz DCJKODBIMVOKEA-VIFPVBQESA-N 1 0 221.308 0.901 20 30 BCEDRO C[C@H](CCNC(=O)c1cc(C#N)c[nH]1)[NH+](C)C ZINC000596452942 348551738 /nfs/dbraw/zinc/55/17/38/348551738.db2.gz FMVLWXZYWHITPJ-SECBINFHSA-N 1 0 234.303 0.956 20 30 BCEDRO C[C@H](CCNc1ccnc(C#N)n1)[NH+](C)C ZINC000596430870 348545085 /nfs/dbraw/zinc/54/50/85/348545085.db2.gz LELBFTSCGCAJTC-SECBINFHSA-N 1 0 219.292 0.522 20 30 BCEDRO CN(C[C@H]1CCC[N@@H+]1C)c1c(C#N)cnn1C ZINC000596278451 348495068 /nfs/dbraw/zinc/49/50/68/348495068.db2.gz NFGMGUBMUNHYTE-LLVKDONJSA-N 1 0 233.319 0.822 20 30 BCEDRO Cc1cc(NC/C=C/CO)c(C#N)cn1 ZINC000596423222 348527913 /nfs/dbraw/zinc/52/79/13/348527913.db2.gz KFHLXFANXNGQGQ-NSCUHMNNSA-N 1 0 203.245 0.644 20 30 BCEDRO C[C@@H](Nc1ncncc1C#N)c1nccn1C ZINC000596543366 348584480 /nfs/dbraw/zinc/58/44/80/348584480.db2.gz SFJJXIOJLDXGQB-MRVPVSSYSA-N 1 0 228.259 0.677 20 30 BCEDRO C[C@@H](CC#N)C(=O)NCC[NH+]1CCCC1 ZINC000596673440 348601729 /nfs/dbraw/zinc/60/17/29/348601729.db2.gz IPOZVILICYDTCI-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@@H](C)C#N)C1 ZINC000596552372 348576756 /nfs/dbraw/zinc/57/67/56/348576756.db2.gz WBRLOMOAPWNAEF-WDEREUQCSA-N 1 0 238.335 0.930 20 30 BCEDRO COCC[N@H+](C)CCNC(=O)[C@H](C)CC#N ZINC000597087425 348656520 /nfs/dbraw/zinc/65/65/20/348656520.db2.gz BEBKVFAGXIVXBD-SNVBAGLBSA-N 1 0 227.308 0.231 20 30 BCEDRO C[C@@H](CC#N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000596855288 348628025 /nfs/dbraw/zinc/62/80/25/348628025.db2.gz TZAGDJWIDXOEJI-ONGXEEELSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)[C@@H](C)CC#N ZINC000597225659 348695138 /nfs/dbraw/zinc/69/51/38/348695138.db2.gz FYCWQJMYLCKMAM-VHSXEESVSA-N 1 0 211.309 0.993 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(C)[C@H](C)CC#N ZINC000308811667 348698591 /nfs/dbraw/zinc/69/85/91/348698591.db2.gz HKWVMIYVYVNLTG-MNOVXSKESA-N 1 0 213.325 0.533 20 30 BCEDRO C[N@@H+]1CCC[C@H]1[C@@H]1COCCN1C(=O)CC#N ZINC000597693998 348777172 /nfs/dbraw/zinc/77/71/72/348777172.db2.gz HXQITAIHYOGUBK-QWRGUYRKSA-N 1 0 237.303 0.222 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000597690039 348780783 /nfs/dbraw/zinc/78/07/83/348780783.db2.gz TVUINVZGFNDNFK-MXWKQRLJSA-N 1 0 221.304 0.699 20 30 BCEDRO C[C@@H](CC#N)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000597698560 348796299 /nfs/dbraw/zinc/79/62/99/348796299.db2.gz LINVPFSMTQUSHQ-JTQLQIEISA-N 1 0 249.318 0.933 20 30 BCEDRO C[C@@H](CC#N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000597825045 348820516 /nfs/dbraw/zinc/82/05/16/348820516.db2.gz IUJWMSQUHOFJRW-GARJFASQSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@@H](CCNC(=O)c1ccc(C#N)n1C)[NH+](C)C ZINC000597993330 348852719 /nfs/dbraw/zinc/85/27/19/348852719.db2.gz RMIDQOOMLRFDNY-JTQLQIEISA-N 1 0 248.330 0.967 20 30 BCEDRO C[C@H](C#N)N(C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000598127588 348893617 /nfs/dbraw/zinc/89/36/17/348893617.db2.gz CHPQHRWNXRTBHO-ZJUUUORDSA-N 1 0 221.304 0.841 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CC(CC#N)C1 ZINC000598035352 348872034 /nfs/dbraw/zinc/87/20/34/348872034.db2.gz MEFSBCJOADMUOI-UHFFFAOYSA-N 1 0 209.293 0.699 20 30 BCEDRO CCC[N@@H+]1CC[C@@H](NC(=O)CSCC#N)C1 ZINC000598341604 348933259 /nfs/dbraw/zinc/93/32/59/348933259.db2.gz DLRGFRSKXHBKEP-SNVBAGLBSA-N 1 0 241.360 0.844 20 30 BCEDRO C[C@@H](C#N)N(C(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC000598129269 348895470 /nfs/dbraw/zinc/89/54/70/348895470.db2.gz TUKPBCJTEUGMGN-ONGXEEELSA-N 1 0 237.303 0.220 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598621343 349002519 /nfs/dbraw/zinc/00/25/19/349002519.db2.gz KYDPCNFQVUKZNJ-OUAUKWLOSA-N 1 0 242.319 0.291 20 30 BCEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CCNC1=O ZINC000598598199 348992113 /nfs/dbraw/zinc/99/21/13/348992113.db2.gz BLAFRXGSKQDEDO-ZJUUUORDSA-N 1 0 239.319 0.107 20 30 BCEDRO CCNC(=O)C[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598585438 348995184 /nfs/dbraw/zinc/99/51/84/348995184.db2.gz CWUVLANWQMFMKM-JTQLQIEISA-N 1 0 241.335 0.355 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000598586982 348995838 /nfs/dbraw/zinc/99/58/38/348995838.db2.gz MKMQXVPKKXTKJY-WDEREUQCSA-N 1 0 226.320 0.744 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H](CO)C1 ZINC000598586929 348995892 /nfs/dbraw/zinc/99/58/92/348995892.db2.gz LIOJOYZKQIMLQH-RYUDHWBXSA-N 1 0 240.347 0.991 20 30 BCEDRO CNC(=O)CC[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598588978 348996325 /nfs/dbraw/zinc/99/63/25/348996325.db2.gz FXNCOSDPBMZLRP-JTQLQIEISA-N 1 0 241.335 0.355 20 30 BCEDRO CNC(=O)CC[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598588979 348996968 /nfs/dbraw/zinc/99/69/68/348996968.db2.gz FXNCOSDPBMZLRP-SNVBAGLBSA-N 1 0 241.335 0.355 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000598592169 348997410 /nfs/dbraw/zinc/99/74/10/348997410.db2.gz GSKPCFLSCCTIFQ-GHMZBOCLSA-N 1 0 226.320 0.601 20 30 BCEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)CC(C)(C)O ZINC000598593833 348998558 /nfs/dbraw/zinc/99/85/58/348998558.db2.gz WIHIZCTXCSPUOL-SNVBAGLBSA-N 1 0 228.336 0.990 20 30 BCEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)[C@H](C)CO ZINC000598611809 348999834 /nfs/dbraw/zinc/99/98/34/348999834.db2.gz JQSUBABXERXAGO-MXWKQRLJSA-N 1 0 228.336 0.894 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000598615082 349000418 /nfs/dbraw/zinc/00/04/18/349000418.db2.gz SOHPQMVMYKDOCW-WDEREUQCSA-N 1 0 240.347 0.990 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](C)(C#N)C2)C1 ZINC000598409486 348965142 /nfs/dbraw/zinc/96/51/42/348965142.db2.gz BCKCWYAZLMKOCG-CMPLNLGQSA-N 1 0 221.304 0.700 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](C)(C#N)C1 ZINC000598414081 348968046 /nfs/dbraw/zinc/96/80/46/348968046.db2.gz YDBONVZNABJEHU-ZYHUDNBSSA-N 1 0 221.304 0.843 20 30 BCEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)C1CC(O)C1 ZINC000598605681 349006686 /nfs/dbraw/zinc/00/66/86/349006686.db2.gz UDHCEPYWDDJJSD-ILDUYXDCSA-N 1 0 226.320 0.742 20 30 BCEDRO COC(=O)[C@@H](C)N(C)C[C@H](O)CC(C)(C)C#N ZINC000598610574 349006923 /nfs/dbraw/zinc/00/69/23/349006923.db2.gz IANQNIKIIJGAGQ-NXEZZACHSA-N 1 0 242.319 0.780 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CC[C@@H]1CCC[NH2+]C1 ZINC000598666448 349014345 /nfs/dbraw/zinc/01/43/45/349014345.db2.gz YPVZCXBRDUYROZ-VIFPVBQESA-N 1 0 247.302 1.000 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCCO ZINC000598704045 349022647 /nfs/dbraw/zinc/02/26/47/349022647.db2.gz LXSDYBXKCZPIQV-VIFPVBQESA-N 1 0 200.282 0.259 20 30 BCEDRO C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C(=O)N(C)C ZINC000598718759 349027276 /nfs/dbraw/zinc/02/72/76/349027276.db2.gz GSZZIVSCYXSYBQ-ZJUUUORDSA-N 1 0 241.335 0.353 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C1COCCOC1 ZINC000598728128 349030376 /nfs/dbraw/zinc/03/03/76/349030376.db2.gz NMXJZXZZRFPGQU-LLVKDONJSA-N 1 0 242.319 0.292 20 30 BCEDRO CC[C@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730205 349031955 /nfs/dbraw/zinc/03/19/55/349031955.db2.gz RXYUKPAHVMAMGZ-UWVGGRQHSA-N 1 0 214.309 0.648 20 30 BCEDRO CC[C@@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730207 349032094 /nfs/dbraw/zinc/03/20/94/349032094.db2.gz RXYUKPAHVMAMGZ-ZJUUUORDSA-N 1 0 214.309 0.648 20 30 BCEDRO COCC[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598729618 349032149 /nfs/dbraw/zinc/03/21/49/349032149.db2.gz MDMUQJBQHZABIL-QWRGUYRKSA-N 1 0 244.335 0.274 20 30 BCEDRO COCC[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598729617 349032217 /nfs/dbraw/zinc/03/22/17/349032217.db2.gz MDMUQJBQHZABIL-MNOVXSKESA-N 1 0 244.335 0.274 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730400 349032707 /nfs/dbraw/zinc/03/27/07/349032707.db2.gz UVFOILCQSCUZGP-WDEREUQCSA-N 1 0 226.320 0.814 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCCCO ZINC000598730457 349032829 /nfs/dbraw/zinc/03/28/29/349032829.db2.gz VUPFHWAWACZDRA-JTQLQIEISA-N 1 0 214.309 0.649 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCN2CC[C@H](O)C2)o1 ZINC000599019190 349077188 /nfs/dbraw/zinc/07/71/88/349077188.db2.gz RIVAIFVKZDAWSR-JTQLQIEISA-N 1 0 235.287 0.307 20 30 BCEDRO N#Cc1ccc(NCC[N@H+]2CC[C@@H](O)C2)cn1 ZINC000599176819 349108107 /nfs/dbraw/zinc/10/81/07/349108107.db2.gz ZPPPKERYRRTELY-GFCCVEGCSA-N 1 0 232.287 0.432 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449591697 201979364 /nfs/dbraw/zinc/97/93/64/201979364.db2.gz QQQVWMVXFBRWTO-IVZWLZJFSA-N 1 0 214.309 0.820 20 30 BCEDRO N#Cc1ncccc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199195 349116524 /nfs/dbraw/zinc/11/65/24/349116524.db2.gz GXYCYCGVKWGTGE-JTQLQIEISA-N 1 0 232.287 0.432 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)CC(=O)NC ZINC000273467366 192395404 /nfs/dbraw/zinc/39/54/04/192395404.db2.gz RIUNZXBSXJGELD-DTWKUNHWSA-N 1 0 200.282 0.038 20 30 BCEDRO C[N@H+](C[C@@H](O)CC1(C#N)CC1)CC1(O)CCC1 ZINC000599363793 349160921 /nfs/dbraw/zinc/16/09/21/349160921.db2.gz FDTJGAMGOLXTTN-NSHDSACASA-N 1 0 238.331 0.888 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000273275526 192390392 /nfs/dbraw/zinc/39/03/92/192390392.db2.gz KGNQUJXGKXGWBV-MNOVXSKESA-N 1 0 241.335 0.317 20 30 BCEDRO Cc1ccc(C[NH2+]C(CO)CO)cc1C#N ZINC000599433067 349173500 /nfs/dbraw/zinc/17/35/00/349173500.db2.gz AMXOFHLZPBPIGK-UHFFFAOYSA-N 1 0 220.272 0.310 20 30 BCEDRO C[C@@H]1C[C@H]1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000599434268 349174163 /nfs/dbraw/zinc/17/41/63/349174163.db2.gz WPPMIFMJRLWSRU-MNOVXSKESA-N 1 0 221.304 0.700 20 30 BCEDRO C[NH+](C)CCCNC(=O)CSCC#N ZINC000041749983 323214693 /nfs/dbraw/zinc/21/46/93/323214693.db2.gz OCWIBNDOXPVKGN-UHFFFAOYSA-N 1 0 215.322 0.311 20 30 BCEDRO C[C@@H](c1cccc(C#N)c1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599531737 349210606 /nfs/dbraw/zinc/21/06/06/349210606.db2.gz MKVHEMKKUGJESV-XDTLVQLUSA-N 1 0 232.283 0.657 20 30 BCEDRO C[C@H](CCC#N)N1CCN(c2nccnn2)CC1 ZINC000599511078 349214466 /nfs/dbraw/zinc/21/44/66/349214466.db2.gz ATXOPUCZNXEWKV-LLVKDONJSA-N 1 0 246.318 0.686 20 30 BCEDRO Cn1cc(CC[N@@H+]2CCC[C@@H](CC#N)C2)nn1 ZINC000599469148 349193135 /nfs/dbraw/zinc/19/31/35/349193135.db2.gz KQBHATTVEXCQPP-NSHDSACASA-N 1 0 233.319 0.983 20 30 BCEDRO C=CC[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000599526809 349207368 /nfs/dbraw/zinc/20/73/68/349207368.db2.gz UBOMGWZMJHMNOO-SNVBAGLBSA-N 1 0 207.277 0.524 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCCC2(CC2)CC1 ZINC000599672972 349241615 /nfs/dbraw/zinc/24/16/15/349241615.db2.gz LFPSBTQQCFPLHM-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO N#CCCCCNC(=O)NCCOCCC[NH3+] ZINC000599911405 349270038 /nfs/dbraw/zinc/27/00/38/349270038.db2.gz DKOQZEZBQALFAW-UHFFFAOYSA-N 1 0 242.323 0.345 20 30 BCEDRO C[C@H]1CC[C@H](NC(=O)NCC(C)(C)C#N)C[NH2+]1 ZINC000599916404 349270750 /nfs/dbraw/zinc/27/07/50/349270750.db2.gz BAWYFOHBMPVKFN-UWVGGRQHSA-N 1 0 238.335 0.976 20 30 BCEDRO C[C@@H]1CN(CCCC#N)CC[S@@]1=O ZINC000307608083 349324072 /nfs/dbraw/zinc/32/40/72/349324072.db2.gz CLXXEHKKHKZBGT-RNCFNFMXSA-N 1 0 200.307 0.743 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]([NH3+])CC(F)F ZINC000309046330 349402165 /nfs/dbraw/zinc/40/21/65/349402165.db2.gz NJSXDMLKUFUMTN-RQJHMYQMSA-N 1 0 219.235 0.729 20 30 BCEDRO N#CCC[C@@H](C#N)C[NH2+][C@H]1CCC[C@@H]1O ZINC000601969635 349406660 /nfs/dbraw/zinc/40/66/60/349406660.db2.gz RKFVEDGDWQBTOH-DCAQKATOSA-N 1 0 207.277 0.933 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000186258576 349413807 /nfs/dbraw/zinc/41/38/07/349413807.db2.gz NKTMJSQZJAFCNY-SECBINFHSA-N 1 0 214.309 0.557 20 30 BCEDRO C=CCCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000304189825 350148221 /nfs/dbraw/zinc/14/82/21/350148221.db2.gz AERDARYQBUBENF-LBPRGKRZSA-N 1 0 228.336 0.235 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000677048262 490330775 /nfs/dbraw/zinc/33/07/75/490330775.db2.gz SRQUJJWKMKRQBM-CYBMUJFWSA-N 1 0 240.347 0.866 20 30 BCEDRO N#Cc1cccc(C(=O)N2CCO[C@H](C[NH3+])C2)c1 ZINC000159431963 350142035 /nfs/dbraw/zinc/14/20/35/350142035.db2.gz JMTOHAIGAPRJOD-GFCCVEGCSA-N 1 0 245.282 0.358 20 30 BCEDRO C=CCSCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000132252603 191029577 /nfs/dbraw/zinc/02/95/77/191029577.db2.gz UGHXWPJZWXXYHQ-VIFPVBQESA-N 1 0 237.390 0.928 20 30 BCEDRO CC(C)[C@H](C#N)N1CC[NH+](CCCCO)CC1 ZINC000609484463 350174399 /nfs/dbraw/zinc/17/43/99/350174399.db2.gz CFBYCEMHTZGXLF-ZDUSSCGKSA-N 1 0 239.363 0.925 20 30 BCEDRO COCCN(CC#N)C[C@H]1CCC[N@@H+]1C ZINC000316952623 350227955 /nfs/dbraw/zinc/22/79/55/350227955.db2.gz ZMSVXJIYSQMLCN-LLVKDONJSA-N 1 0 211.309 0.553 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262571682 535124144 /nfs/dbraw/zinc/12/41/44/535124144.db2.gz ZDWOXNOYYFJFGZ-SECBINFHSA-N 1 0 217.338 0.167 20 30 BCEDRO C=CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335268885 350338633 /nfs/dbraw/zinc/33/86/33/350338633.db2.gz JHXRETZVDMJLGT-SSDOTTSWSA-N 1 0 219.235 0.469 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@]1(C#N)CC1(C)C ZINC000427881255 191098512 /nfs/dbraw/zinc/09/85/12/191098512.db2.gz HWIWUHJGRCICBD-NRUUGDAUSA-N 1 0 235.331 0.993 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000336642993 350413265 /nfs/dbraw/zinc/41/32/65/350413265.db2.gz BEJLHYVEJVDWPM-SNVBAGLBSA-N 1 0 232.349 0.563 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000563994827 323342169 /nfs/dbraw/zinc/34/21/69/323342169.db2.gz SQTZCNVQAHVUAP-WCQYABFASA-N 1 0 240.347 0.866 20 30 BCEDRO CC[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000309356466 323344102 /nfs/dbraw/zinc/34/41/02/323344102.db2.gz NJJNCPSMAOOAKG-UHFFFAOYSA-N 1 0 217.276 0.490 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](O)CN(C)C1CC1 ZINC000336719245 350468754 /nfs/dbraw/zinc/46/87/54/350468754.db2.gz ZBHBLOHJSNWJHL-LBPRGKRZSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)CCCC[NH3+] ZINC000336740190 350493630 /nfs/dbraw/zinc/49/36/30/350493630.db2.gz MCFWNBJLXFASDT-SNVBAGLBSA-N 1 0 234.365 0.999 20 30 BCEDRO Cc1cc(C#N)cc(NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000227934270 350519715 /nfs/dbraw/zinc/51/97/15/350519715.db2.gz VHURBHKXRAUQIF-CYBMUJFWSA-N 1 0 248.330 0.986 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000061645879 350520888 /nfs/dbraw/zinc/52/08/88/350520888.db2.gz JCYJDPAFUUWIAM-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@@H](CC#N)N(C)CCN1CCOCC1 ZINC000063095438 350571339 /nfs/dbraw/zinc/57/13/39/350571339.db2.gz DRRIVJMLIJPKIR-NSHDSACASA-N 1 0 211.309 0.553 20 30 BCEDRO C=CCC[NH+]1CCN(C[C@@H](O)COCC)CC1 ZINC000606897367 350622312 /nfs/dbraw/zinc/62/23/12/350622312.db2.gz DBEOSLHXZIAQAF-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CCC[C@H](C(=O)NC)C1 ZINC000304219820 350710636 /nfs/dbraw/zinc/71/06/36/350710636.db2.gz LNHSDCCNIMJORX-VHSXEESVSA-N 1 0 240.303 0.172 20 30 BCEDRO CC1(C)C[S@@](=O)CCN1CCOCCC#N ZINC000339108612 350734147 /nfs/dbraw/zinc/73/41/47/350734147.db2.gz QSHRCKQNMBFYQJ-INIZCTEOSA-N 1 0 244.360 0.760 20 30 BCEDRO C=C(Cl)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051762870 350827849 /nfs/dbraw/zinc/82/78/49/350827849.db2.gz DMYJVKCSCSBCPU-UHFFFAOYSA-N 1 0 245.754 0.445 20 30 BCEDRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000336681345 350904708 /nfs/dbraw/zinc/90/47/08/350904708.db2.gz RMXDYAHKDFILPC-UTUOFQBUSA-N 1 0 221.304 0.889 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@H](C)C#N ZINC000336687524 350960290 /nfs/dbraw/zinc/96/02/90/350960290.db2.gz LJGCYTKSZZOMLN-ZJUUUORDSA-N 1 0 211.309 0.991 20 30 BCEDRO C[C@@H](CC#N)NCCN1C(=O)CCC1=O ZINC000389870626 350949797 /nfs/dbraw/zinc/94/97/97/350949797.db2.gz JGBIPGUZWBYRRI-QMMMGPOBSA-N 1 0 209.249 0.027 20 30 BCEDRO COCCN(CCC#N)CCn1ccnc1 ZINC000159867403 351014809 /nfs/dbraw/zinc/01/48/09/351014809.db2.gz OFGHKKGJMUTPOQ-UHFFFAOYSA-N 1 0 222.292 0.745 20 30 BCEDRO CCN(C[C@@H](O)C[N@H+](C)C1CC1)C[C@H](C)C#N ZINC000336704474 351069536 /nfs/dbraw/zinc/06/95/36/351069536.db2.gz KQORBTAQMWIAEW-YPMHNXCESA-N 1 0 239.363 0.923 20 30 BCEDRO CCN(C[C@H](C)C#N)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336704472 351069675 /nfs/dbraw/zinc/06/96/75/351069675.db2.gz KQORBTAQMWIAEW-DGCLKSJQSA-N 1 0 239.363 0.923 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000631178253 351375510 /nfs/dbraw/zinc/37/55/10/351375510.db2.gz VKULZWPXVPNOFO-SNVBAGLBSA-N 1 0 235.331 0.935 20 30 BCEDRO CCS(=O)(=O)NCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336724808 351388483 /nfs/dbraw/zinc/38/84/83/351388483.db2.gz BJLUKBALLIQCTC-UWVGGRQHSA-N 1 0 245.348 0.208 20 30 BCEDRO CC1(C)CN(c2nccc(C#N)n2)CC[NH2+]1 ZINC000231924106 351465455 /nfs/dbraw/zinc/46/54/55/351465455.db2.gz SSLXNKMTPYEXJQ-UHFFFAOYSA-N 1 0 217.276 0.536 20 30 BCEDRO N#Cc1cccc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)c1 ZINC000090320856 363038647 /nfs/dbraw/zinc/03/86/47/363038647.db2.gz AZNFBKWJXSVNGD-BETUJISGSA-N 1 0 241.294 0.850 20 30 BCEDRO CN(C(=[NH2+])NCCCn1ccnc1)C1CC1 ZINC000273334485 351518632 /nfs/dbraw/zinc/51/86/32/351518632.db2.gz KSMDEGZQQCLBPE-UHFFFAOYSA-N 1 0 221.308 0.682 20 30 BCEDRO CNC(NC[C@H](O)CCc1ccccc1)=[NH+]C ZINC000273340654 351519281 /nfs/dbraw/zinc/51/92/81/351519281.db2.gz MWVYJBATEQSWKD-GFCCVEGCSA-N 1 0 235.331 0.775 20 30 BCEDRO C[NH+](C)CC(=O)N1Cc2cccc(C#N)c2C1 ZINC000405061437 351575884 /nfs/dbraw/zinc/57/58/84/351575884.db2.gz OQNOYAGSCOJTEL-UHFFFAOYSA-N 1 0 229.283 0.962 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+](C)CCNC(C)=O ZINC000577629697 366027100 /nfs/dbraw/zinc/02/71/00/366027100.db2.gz IYWPJYRJPOOCCX-LLVKDONJSA-N 1 0 214.309 0.381 20 30 BCEDRO CC[C@H](C#N)C(=O)NCCCC[NH+](C)C ZINC000041680607 351560403 /nfs/dbraw/zinc/56/04/03/351560403.db2.gz CUCFYQVUMGIZDO-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(C(=O)OC)o1 ZINC000276710030 351645652 /nfs/dbraw/zinc/64/56/52/351645652.db2.gz XWFBFSPKIKCNLP-UHFFFAOYSA-N 1 0 225.248 0.490 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCOC1 ZINC000393964333 259419881 /nfs/dbraw/zinc/41/98/81/259419881.db2.gz ZUBHKRSTCRDOSM-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637871067 351737146 /nfs/dbraw/zinc/73/71/46/351737146.db2.gz ZEFHQNIMXLERPK-YPMHNXCESA-N 1 0 238.331 0.954 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000577750487 366053704 /nfs/dbraw/zinc/05/37/04/366053704.db2.gz HXLCNBKROOXPMX-RKDXNWHRSA-N 1 0 220.338 0.608 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(NC)=[NH+]C ZINC000280656144 351855364 /nfs/dbraw/zinc/85/53/64/351855364.db2.gz WWYOBUCVNJBVSZ-NXEZZACHSA-N 1 0 211.309 0.762 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638004044 351882628 /nfs/dbraw/zinc/88/26/28/351882628.db2.gz WGBRTFFVZFHDRQ-ATZCPNFKSA-N 1 0 212.293 0.444 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638003757 351882761 /nfs/dbraw/zinc/88/27/61/351882761.db2.gz SMZRCSRTBWDARO-CMPLNLGQSA-N 1 0 226.320 0.836 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638004045 351882902 /nfs/dbraw/zinc/88/29/02/351882902.db2.gz WGBRTFFVZFHDRQ-IQJOONFLSA-N 1 0 212.293 0.444 20 30 BCEDRO C#C[C@H](NC(=[NH2+])N[C@H](C)COC)C(C)C ZINC000281100829 351875434 /nfs/dbraw/zinc/87/54/34/351875434.db2.gz WFXUVMKQOSWGLI-ZJUUUORDSA-N 1 0 211.309 0.583 20 30 BCEDRO C=CCCCN(C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638010780 351887057 /nfs/dbraw/zinc/88/70/57/351887057.db2.gz NKEFQQBWCXNARZ-LBPRGKRZSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C(C)CNC(=O)C(C)(C)N1CCOCC1 ZINC000283917540 351986649 /nfs/dbraw/zinc/98/66/49/351986649.db2.gz YBYFSFHXLRWSDV-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[NH+](CC#C)C[C@H](O)CCOCC ZINC000277879142 187579215 /nfs/dbraw/zinc/57/92/15/187579215.db2.gz YZYBDXKJYMMIDP-GFCCVEGCSA-N 1 0 209.289 0.342 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H](O)Cc2ccccc2)N1 ZINC000285080414 352020775 /nfs/dbraw/zinc/02/07/75/352020775.db2.gz NEFAOGYQSVCOCY-PWSUYJOCSA-N 1 0 233.315 0.527 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCCc2ccccn2)N1 ZINC000285107939 352023021 /nfs/dbraw/zinc/02/30/21/352023021.db2.gz OZKSTOAPGXQSSF-JTQLQIEISA-N 1 0 218.304 0.952 20 30 BCEDRO COCCCOc1ccc(CNC(N)=[NH2+])cc1 ZINC000285210700 352029105 /nfs/dbraw/zinc/02/91/05/352029105.db2.gz WTJDAWMHGDUNOW-UHFFFAOYSA-N 1 0 237.303 0.875 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000273146397 187576204 /nfs/dbraw/zinc/57/62/04/187576204.db2.gz GLNHGLFQBRJDPW-QWRGUYRKSA-N 1 0 224.304 0.283 20 30 BCEDRO C#C[C@H](NC(=[NH2+])N[C@@H](C)COC)C(C)(C)C ZINC000287313119 352121060 /nfs/dbraw/zinc/12/10/60/352121060.db2.gz UPYAQIPGJMQTFF-UWVGGRQHSA-N 1 0 225.336 0.974 20 30 BCEDRO C=CCCC[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000366652447 352133571 /nfs/dbraw/zinc/13/35/71/352133571.db2.gz JVNOBIDWOLAMKU-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222153 352078364 /nfs/dbraw/zinc/07/83/64/352078364.db2.gz NJJQIQYZHYDPQY-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCN(C)C(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638220856 352079948 /nfs/dbraw/zinc/07/99/48/352079948.db2.gz BHNDCXYBOVJEOR-ONGXEEELSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CC[N@H+](CCOC)CCC(=O)N(C)C ZINC000362050357 166340584 /nfs/dbraw/zinc/34/05/84/166340584.db2.gz OSJZCRCBRJRZBW-UHFFFAOYSA-N 1 0 214.309 0.599 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000618887275 352158132 /nfs/dbraw/zinc/15/81/32/352158132.db2.gz RGTYDLBCCAPAAY-VHSXEESVSA-N 1 0 209.293 0.733 20 30 BCEDRO CNC(NC[C@@H]1COc2ccccc21)=[NH+]C ZINC000288685249 352161728 /nfs/dbraw/zinc/16/17/28/352161728.db2.gz JIJLMRNEOWFDKV-SECBINFHSA-N 1 0 219.288 0.957 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000613329635 363110589 /nfs/dbraw/zinc/11/05/89/363110589.db2.gz SGFQKJBHBNZCET-AXFHLTTASA-N 1 0 224.304 0.086 20 30 BCEDRO COc1ncccc1CCNC(=[NH2+])N(C)C ZINC000290678746 352235863 /nfs/dbraw/zinc/23/58/63/352235863.db2.gz PWMMHLNWFLHCNE-UHFFFAOYSA-N 1 0 222.292 0.509 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCc1cn[nH]c1 ZINC000290689109 352236603 /nfs/dbraw/zinc/23/66/03/352236603.db2.gz QUUHAXVAIOWFOT-UHFFFAOYSA-N 1 0 207.281 0.433 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCc1cn[nH]c1 ZINC000290754115 352240080 /nfs/dbraw/zinc/24/00/80/352240080.db2.gz YPUNZHYGNNAWBE-UHFFFAOYSA-N 1 0 209.297 0.609 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000631972217 363118946 /nfs/dbraw/zinc/11/89/46/363118946.db2.gz ADUFRPUHBWOTHS-RKDXNWHRSA-N 1 0 218.322 0.314 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627027103 363120551 /nfs/dbraw/zinc/12/05/51/363120551.db2.gz IXLVNYGKCGOHDR-GHMZBOCLSA-N 1 0 241.335 0.629 20 30 BCEDRO C=CCC1(NC(=O)C[C@H](C)[NH3+])CCOCC1 ZINC000638415226 352225425 /nfs/dbraw/zinc/22/54/25/352225425.db2.gz XXOMDGQZGDWZCQ-JTQLQIEISA-N 1 0 226.320 0.965 20 30 BCEDRO CN(C)C(=[NH2+])NCCCc1nccs1 ZINC000290467239 352225766 /nfs/dbraw/zinc/22/57/66/352225766.db2.gz FAXCWSINLJFSAK-UHFFFAOYSA-N 1 0 212.322 0.952 20 30 BCEDRO CC1CCN(C(=[NH2+])NCCc2cn[nH]c2)CC1 ZINC000290614920 352231962 /nfs/dbraw/zinc/23/19/62/352231962.db2.gz JVBBNDONMJJAQE-UHFFFAOYSA-N 1 0 235.335 0.999 20 30 BCEDRO CCN1CCN(C(=O)[C@H](C)C#N)C[C@H]1C ZINC000250383571 363172922 /nfs/dbraw/zinc/17/29/22/363172922.db2.gz XFLYWPOSPDMTQR-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO C#CCCCCC(=O)NC[C@@H]1CN2CCN1CC2 ZINC000120039244 358469640 /nfs/dbraw/zinc/46/96/40/358469640.db2.gz PWNNMUOQCGKIEY-CYBMUJFWSA-N 1 0 249.358 0.296 20 30 BCEDRO C=CC(C)(C)CCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000638454240 352267490 /nfs/dbraw/zinc/26/74/90/352267490.db2.gz DXYZXTKHLPMYEB-JTQLQIEISA-N 1 0 226.320 0.693 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000638471275 352281866 /nfs/dbraw/zinc/28/18/66/352281866.db2.gz AEFKVFOPXXLGFS-MNOVXSKESA-N 1 0 224.304 0.399 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)C1 ZINC000638471508 352282388 /nfs/dbraw/zinc/28/23/88/352282388.db2.gz FYAVGVPJYVJHRD-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000638471507 352282417 /nfs/dbraw/zinc/28/24/17/352282417.db2.gz FYAVGVPJYVJHRD-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C[C@@H](CCC#N)[N@H+](C)CCN1CCOCC1 ZINC000411220973 191170912 /nfs/dbraw/zinc/17/09/12/191170912.db2.gz GUAZNEYHCINYHR-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CCN(CCc1ccco1)CC(N)=O ZINC000272313918 166343961 /nfs/dbraw/zinc/34/39/61/166343961.db2.gz SBRRJLYQUTWSKZ-UHFFFAOYSA-N 1 0 208.261 0.795 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H]([NH3+])CC ZINC000294697236 352383030 /nfs/dbraw/zinc/38/30/30/352383030.db2.gz ANPFLRFWFZOMJZ-SNVBAGLBSA-N 1 0 214.309 0.823 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)Cc1cnnn1C ZINC000411648322 191202288 /nfs/dbraw/zinc/20/22/88/191202288.db2.gz PIVHVJNFGQSOST-UHFFFAOYSA-N 1 0 237.351 0.755 20 30 BCEDRO N#CC1(CC[NH+]2C[C@H](O)[C@@H](O)C2)CCCCC1 ZINC000411642915 191202421 /nfs/dbraw/zinc/20/24/21/191202421.db2.gz ZGRIOBPRZLHGDC-RYUDHWBXSA-N 1 0 238.331 0.888 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC[NH+](CC)CC ZINC000044809012 352429944 /nfs/dbraw/zinc/42/99/44/352429944.db2.gz RBMSTYBVURYFSC-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044828032 352444168 /nfs/dbraw/zinc/44/41/68/352444168.db2.gz CSGFIQMFQQJWDD-LLVKDONJSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638621355 352461213 /nfs/dbraw/zinc/46/12/13/352461213.db2.gz WGZUALXKBNCNGA-WDEREUQCSA-N 1 0 242.319 0.072 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044828063 352443714 /nfs/dbraw/zinc/44/37/14/352443714.db2.gz BEVWDPOKGGQKSH-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](O)C[C@H]1COC ZINC000411914132 191226466 /nfs/dbraw/zinc/22/64/66/191226466.db2.gz SOLZZCRLJRYHKT-SRVKXCTJSA-N 1 0 229.320 0.395 20 30 BCEDRO C=C[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638747286 352682129 /nfs/dbraw/zinc/68/21/29/352682129.db2.gz FINKAZSESBQAEX-SECBINFHSA-N 1 0 240.328 0.998 20 30 BCEDRO C=CC[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000334230298 352847590 /nfs/dbraw/zinc/84/75/90/352847590.db2.gz JMMWZGNFQLYXIG-VXGBXAGGSA-N 1 0 210.321 0.967 20 30 BCEDRO C#CCNC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000079879238 187913404 /nfs/dbraw/zinc/91/34/04/187913404.db2.gz XYUSLWXOTZXCGZ-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO C=CCCC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000366795693 352932399 /nfs/dbraw/zinc/93/23/99/352932399.db2.gz IFHUNUVRLSKHDJ-QWRGUYRKSA-N 1 0 224.304 0.542 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000342877748 352885608 /nfs/dbraw/zinc/88/56/08/352885608.db2.gz XLEVCLNLTWROGD-GMTAPVOTSA-N 1 0 223.320 0.945 20 30 BCEDRO OCC#Cc1ccc(C2=CC[NH2+]CC2)cn1 ZINC000623168610 352976031 /nfs/dbraw/zinc/97/60/31/352976031.db2.gz BSMDYVGWIYTFHY-UHFFFAOYSA-N 1 0 214.268 0.802 20 30 BCEDRO CNC(=O)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336748818 352980429 /nfs/dbraw/zinc/98/04/29/352980429.db2.gz CYPPZNRGNMQQBI-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO CCC(O)(CC)CCNC1=[NH+]CCN1C ZINC000262470440 535194866 /nfs/dbraw/zinc/19/48/66/535194866.db2.gz BENWPGDOPWISTO-UHFFFAOYSA-N 1 0 213.325 0.819 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CC(C)(C)O)C1CC1 ZINC000189899671 166364762 /nfs/dbraw/zinc/36/47/62/166364762.db2.gz ROQUAYSPWBMSCP-UHFFFAOYSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000638830129 353008722 /nfs/dbraw/zinc/00/87/22/353008722.db2.gz MCUXGKIJCHCDKE-RWMBFGLXSA-N 1 0 243.347 0.812 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000159376962 166365098 /nfs/dbraw/zinc/36/50/98/166365098.db2.gz NUJBBCYBKPIQPC-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCn1cc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)nn1 ZINC000638915243 353073932 /nfs/dbraw/zinc/07/39/32/353073932.db2.gz OVFQTZQBRGDIDX-UWVGGRQHSA-N 1 0 247.302 0.041 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@]1(CC)CO ZINC000189615511 166365972 /nfs/dbraw/zinc/36/59/72/166365972.db2.gz MDPZYRIOPWEOIK-GFCCVEGCSA-N 1 0 226.320 0.526 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638922238 353080182 /nfs/dbraw/zinc/08/01/82/353080182.db2.gz ARAGYXAXCNBUEI-SDDRHHMPSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@H]1CCC[C@H]1O ZINC000352659910 166366144 /nfs/dbraw/zinc/36/61/44/166366144.db2.gz LOHGRQISMHDMRO-VHSXEESVSA-N 1 0 212.293 0.134 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](O)C1 ZINC000052875823 353125052 /nfs/dbraw/zinc/12/50/52/353125052.db2.gz RAGIHTXFWOWLJB-MNOVXSKESA-N 1 0 239.319 0.204 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000177463531 166367795 /nfs/dbraw/zinc/36/77/95/166367795.db2.gz YZKPWMIMTCJRFJ-LBPRGKRZSA-N 1 0 240.303 0.174 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)Cn1cccn1)C1CC1 ZINC000274155864 188027370 /nfs/dbraw/zinc/02/73/70/188027370.db2.gz LNLCUGNANUMQNT-LBPRGKRZSA-N 1 0 219.288 0.342 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000275821305 166366916 /nfs/dbraw/zinc/36/69/16/166366916.db2.gz JVNRFNARTZFFRI-XYPYZODXSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H](O)CC ZINC000078724659 166367090 /nfs/dbraw/zinc/36/70/90/166367090.db2.gz SIELPKLXGVISSZ-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO CC(C)[C@@H](C#N)N1CC[NH+](CC(C)(C)O)CC1 ZINC000609538116 353166436 /nfs/dbraw/zinc/16/64/36/353166436.db2.gz HVVUHXPWUXVARC-GFCCVEGCSA-N 1 0 239.363 0.923 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000330822793 353183607 /nfs/dbraw/zinc/18/36/07/353183607.db2.gz PRSYBTWNVTWCAZ-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@@H]1CC[C@H]([N@H+](CCO)CC(=O)NCC#N)C1 ZINC000330867236 353188569 /nfs/dbraw/zinc/18/85/69/353188569.db2.gz VOUGPEZJXSFFAW-MNOVXSKESA-N 1 0 239.319 0.109 20 30 BCEDRO CC1=CC[N@H+](CCNC(=O)CC#N)CC1 ZINC000331086856 353216940 /nfs/dbraw/zinc/21/69/40/353216940.db2.gz RQUFPUXPQMLZPP-UHFFFAOYSA-N 1 0 207.277 0.668 20 30 BCEDRO COc1cc(C(=O)NCCC[NH+](C)C)nn1C ZINC000330952067 353203015 /nfs/dbraw/zinc/20/30/15/353203015.db2.gz KRZLEOCMPFWFSV-UHFFFAOYSA-N 1 0 240.307 0.685 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)Cc2ccon2)CC1 ZINC000330959407 353204695 /nfs/dbraw/zinc/20/46/95/353204695.db2.gz OSPPJVNNZZMWGZ-UHFFFAOYSA-N 1 0 249.314 0.984 20 30 BCEDRO COC[C@H](CCO)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336762587 353204749 /nfs/dbraw/zinc/20/47/49/353204749.db2.gz NYJJRZNEUCNJMC-AXFHLTTASA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000331282177 353234002 /nfs/dbraw/zinc/23/40/02/353234002.db2.gz VJYOFJLKZMCQEO-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000331163002 353224283 /nfs/dbraw/zinc/22/42/83/353224283.db2.gz GQGKOHYHYMADHQ-AAEUAGOBSA-N 1 0 240.347 0.914 20 30 BCEDRO C[N@H+](CC(C)(CO)CO)[C@@H]1CC[C@H](C#N)C1 ZINC000331162612 353224323 /nfs/dbraw/zinc/22/43/23/353224323.db2.gz FSRGKXTYVOKLFP-WDEREUQCSA-N 1 0 226.320 0.601 20 30 BCEDRO COCC[N@@H+]1CC[C@H](NC(=O)NCCF)C1 ZINC000331220728 353231480 /nfs/dbraw/zinc/23/14/80/353231480.db2.gz AFMXLQORGDUOGE-VIFPVBQESA-N 1 0 233.287 0.180 20 30 BCEDRO C#CCN(CC#C)C(=O)C[N@@H+](CC)C1CC1 ZINC000126301524 353247467 /nfs/dbraw/zinc/24/74/67/353247467.db2.gz CQTMQHYYIAECIO-UHFFFAOYSA-N 1 0 218.300 0.566 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(C(=O)Nc2ccncn2)C1 ZINC000331303378 353243256 /nfs/dbraw/zinc/24/32/56/353243256.db2.gz SXWVAYCFVWEYBZ-SNVBAGLBSA-N 1 0 249.318 0.906 20 30 BCEDRO CC(C)[C@@H](C(=O)N[C@@H](C)CC#N)[NH+](C)C ZINC000127942243 353279870 /nfs/dbraw/zinc/27/98/70/353279870.db2.gz MFBJKRKHJUGBHO-UWVGGRQHSA-N 1 0 211.309 0.991 20 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CNC(=O)[C@@H]1CCC[N@@H+]1CCCSCC#N ZINC000074982162 353311925 /nfs/dbraw/zinc/31/19/25/353311925.db2.gz QABSCEQWIQOKJU-JTQLQIEISA-N 1 0 241.360 0.844 20 30 BCEDRO C[N@@H+]1CCC[C@@H](CNC(=O)C(C)(C)C#N)C1 ZINC000044752894 188296831 /nfs/dbraw/zinc/29/68/31/188296831.db2.gz RTWICRPLPLHVAF-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000162695775 353324276 /nfs/dbraw/zinc/32/42/76/353324276.db2.gz ZCNMVDMMJKRULB-JTQLQIEISA-N 1 0 209.293 0.213 20 30 BCEDRO C=CCCCC[NH2+]Cc1cnc(N)nc1N ZINC000639055892 353366092 /nfs/dbraw/zinc/36/60/92/353366092.db2.gz CAUCPFKFIOVZLB-UHFFFAOYSA-N 1 0 221.308 0.748 20 30 BCEDRO C=C(C)CNC(=O)NCC[N@@H+](C)CCCOC ZINC000156355175 188330515 /nfs/dbraw/zinc/33/05/15/188330515.db2.gz UHEBYIJCEVZRME-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=CCCC[N@@H+](C)CCN1C(=O)CNC1=O ZINC000076736992 353340932 /nfs/dbraw/zinc/34/09/32/353340932.db2.gz CZGZBXSAKAQNCV-UHFFFAOYSA-N 1 0 225.292 0.436 20 30 BCEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)N1CC(CO)C1 ZINC000330109984 538116931 /nfs/dbraw/zinc/11/69/31/538116931.db2.gz PYJPZRDCAOFLRD-SNVBAGLBSA-N 1 0 239.319 0.061 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281516498 353449607 /nfs/dbraw/zinc/44/96/07/353449607.db2.gz YZKOWNGKESYUQO-ZJUUUORDSA-N 1 0 210.277 0.993 20 30 BCEDRO C=CCN1CC[C@H]([NH2+]C(C)(C)CC(N)=O)C1=O ZINC000281505024 353449633 /nfs/dbraw/zinc/44/96/33/353449633.db2.gz YHGLFYJVEPWXFP-VIFPVBQESA-N 1 0 239.319 0.017 20 30 BCEDRO N#Cc1ccccc1CN1CC[C@H](CO)[C@H](O)C1 ZINC000563746087 353450446 /nfs/dbraw/zinc/45/04/46/353450446.db2.gz AOHLVXPJGWOROT-ZIAGYGMSSA-N 1 0 246.310 0.733 20 30 BCEDRO C=CCC[N@@H+](C)Cc1ccc(S(N)(=O)=O)o1 ZINC000639091764 353453894 /nfs/dbraw/zinc/45/38/94/353453894.db2.gz RPOOCKPOAFSBNH-UHFFFAOYSA-N 1 0 244.316 0.935 20 30 BCEDRO C#CCCCCNC(=O)NCC[NH+](C)C ZINC000133872563 353434376 /nfs/dbraw/zinc/43/43/76/353434376.db2.gz VBPFDCDBFLDLCC-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@H](C)OC)C1=O ZINC000281199724 353437883 /nfs/dbraw/zinc/43/78/83/353437883.db2.gz CHROFIJWXCVFCP-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCOCC ZINC000093313864 353484604 /nfs/dbraw/zinc/48/46/04/353484604.db2.gz SGXGYHOXBFSOJO-SNVBAGLBSA-N 1 0 212.293 0.093 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CCC[C@@H]2CO)C1=O ZINC000281991922 353460558 /nfs/dbraw/zinc/46/05/58/353460558.db2.gz MUKVPUZSTCPTPS-MNOVXSKESA-N 1 0 224.304 0.230 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@@](C)(O)C2)C1=O ZINC000282078987 353462511 /nfs/dbraw/zinc/46/25/11/353462511.db2.gz UHQBEMOCAHVQGM-ZYHUDNBSSA-N 1 0 224.304 0.230 20 30 BCEDRO C#CCN(CC)C(=O)C=Cc1c[nH]cn1 ZINC000282577755 353476390 /nfs/dbraw/zinc/47/63/90/353476390.db2.gz AZTWBKNRTVTBRV-AATRIKPKSA-N 1 0 203.245 0.905 20 30 BCEDRO C=CC[N@@H+](CCC)[C@H]1CC(=O)N(C)C1=O ZINC000282463347 353480063 /nfs/dbraw/zinc/48/00/63/353480063.db2.gz KAVPCIJUKHMIJZ-VIFPVBQESA-N 1 0 210.277 0.642 20 30 BCEDRO CCN(CCO)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336776719 353480299 /nfs/dbraw/zinc/48/02/99/353480299.db2.gz GLDYMLILHFOELE-NWDGAFQWSA-N 1 0 225.336 0.582 20 30 BCEDRO CC#CCC[N@@H+](CCC)[C@H]1CC(=O)N(C)C1=O ZINC000282482472 353480704 /nfs/dbraw/zinc/48/07/04/353480704.db2.gz LVHPLZZACJOUQX-NSHDSACASA-N 1 0 236.315 0.869 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)NCC2C[NH2+]C2)C1 ZINC000627083061 363232847 /nfs/dbraw/zinc/23/28/47/363232847.db2.gz NRUOFHCYTHUAQZ-SNVBAGLBSA-N 1 0 223.320 0.813 20 30 BCEDRO C#CCC(CC#C)C(=O)NCC[N@@H+](C)CC ZINC000287479335 353577142 /nfs/dbraw/zinc/57/71/42/353577142.db2.gz ONFVKLZKMFYHQP-UHFFFAOYSA-N 1 0 220.316 0.717 20 30 BCEDRO C#CCC(CC#C)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000287561537 353579105 /nfs/dbraw/zinc/57/91/05/353579105.db2.gz PCDMWJAAJACDPZ-CYBMUJFWSA-N 1 0 232.327 0.860 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000193647519 353597050 /nfs/dbraw/zinc/59/70/50/353597050.db2.gz XQPNHYMPBHHJFC-AXFHLTTASA-N 1 0 226.320 0.428 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000491813962 324162113 /nfs/dbraw/zinc/16/21/13/324162113.db2.gz LTKOHBYAVYMMGX-GRYCIOLGSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CC(C)(C)[N@H+](C)CCCN1C(=O)CNC1=O ZINC000286129658 353557619 /nfs/dbraw/zinc/55/76/19/353557619.db2.gz MQISNSUGWLBORK-UHFFFAOYSA-N 1 0 237.303 0.272 20 30 BCEDRO C#CCN(CC#C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000192665889 353562212 /nfs/dbraw/zinc/56/22/12/353562212.db2.gz NWYAGMSMWLEEHJ-UHFFFAOYSA-N 1 0 244.338 0.956 20 30 BCEDRO C[N@@H+](CC#Cc1ccccc1)CCC(N)=O ZINC000286539800 353563172 /nfs/dbraw/zinc/56/31/72/353563172.db2.gz RSFOTHYWLGOBHA-UHFFFAOYSA-N 1 0 216.284 0.845 20 30 BCEDRO C=CCNC(=O)CN1CC[NH2+]Cc2ccccc21 ZINC000062818839 353572193 /nfs/dbraw/zinc/57/21/93/353572193.db2.gz KZAQMFZDAYHWJU-UHFFFAOYSA-N 1 0 245.326 0.898 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289543580 353632640 /nfs/dbraw/zinc/63/26/40/353632640.db2.gz WVKSHZHBWVBZOC-VIFPVBQESA-N 1 0 220.276 0.301 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1ccnn1CCCOC ZINC000289789783 353635230 /nfs/dbraw/zinc/63/52/30/353635230.db2.gz KBFGWAHEOWPSSK-NSHDSACASA-N 1 0 239.319 0.556 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)NC[C@H](C)[NH3+])C1 ZINC000627088473 363241171 /nfs/dbraw/zinc/24/11/71/363241171.db2.gz IGHNSHHUBRWCNE-VHSXEESVSA-N 1 0 211.309 0.941 20 30 BCEDRO C#C[C@H]([NH2+]Cc1cnnn1C)C(C)(C)C ZINC000290178519 353650917 /nfs/dbraw/zinc/65/09/17/353650917.db2.gz NNTMCAOHJKVLFY-JTQLQIEISA-N 1 0 206.293 0.953 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1 ZINC000289322028 353613129 /nfs/dbraw/zinc/61/31/29/353613129.db2.gz TXBLJBPEGLBUMT-ZDUSSCGKSA-N 1 0 228.295 0.988 20 30 BCEDRO C#C[C@H](C)NC(=O)NCCCn1ccnc1 ZINC000290512284 353658085 /nfs/dbraw/zinc/65/80/85/353658085.db2.gz INYKDYYHAAKYOV-JTQLQIEISA-N 1 0 220.276 0.594 20 30 BCEDRO N#CC1(CN2CC[NH+](C[C@H]3CCOC3)CC2)CC1 ZINC000343317412 353658942 /nfs/dbraw/zinc/65/89/42/353658942.db2.gz VFWYHPGNQCDHDO-CYBMUJFWSA-N 1 0 249.358 0.944 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000290655548 353666808 /nfs/dbraw/zinc/66/68/08/353666808.db2.gz RHQUIQRQRLEHID-MWLCHTKSSA-N 1 0 224.304 0.276 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000290686053 353668318 /nfs/dbraw/zinc/66/83/18/353668318.db2.gz ULFUNPLZMGQSFY-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@@H](CO)NC(=O)C[N@@H+](CC)C1CC1 ZINC000290708679 353668710 /nfs/dbraw/zinc/66/87/10/353668710.db2.gz WPHDWUJNQYBPOK-VIFPVBQESA-N 1 0 212.293 0.134 20 30 BCEDRO C=CC[C@H](CO)NC(=O)c1c[nH+]ccc1N(C)C ZINC000184444479 353672534 /nfs/dbraw/zinc/67/25/34/353672534.db2.gz NBGBLIQTWLCFTG-SNVBAGLBSA-N 1 0 249.314 0.814 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccncc1 ZINC000064615490 353677781 /nfs/dbraw/zinc/67/77/81/353677781.db2.gz ABXOTZOULHUWLH-UHFFFAOYSA-N 1 0 217.272 0.311 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[N@@H+](C)CC)C(C)C ZINC000291316314 353685841 /nfs/dbraw/zinc/68/58/41/353685841.db2.gz QBTVBXSPLZEPTL-LLVKDONJSA-N 1 0 225.336 0.895 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000194775599 353690773 /nfs/dbraw/zinc/69/07/73/353690773.db2.gz PAXIRPLNSIDTOU-LLVKDONJSA-N 1 0 246.376 0.999 20 30 BCEDRO C=C[C@H](O)C(=O)Nc1cc(N(C)C)cc[nH+]1 ZINC000613442398 363253234 /nfs/dbraw/zinc/25/32/34/363253234.db2.gz HQPWDIUEJHEUGC-VIFPVBQESA-N 1 0 221.260 0.633 20 30 BCEDRO C#CCNC(=O)CC[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000292786140 353724376 /nfs/dbraw/zinc/72/43/76/353724376.db2.gz LCIHETDJIDCEMR-GHMZBOCLSA-N 1 0 208.305 0.714 20 30 BCEDRO C=CCOCC[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000292919341 353728331 /nfs/dbraw/zinc/72/83/31/353728331.db2.gz XXPDHTXIPUWVGC-LLVKDONJSA-N 1 0 226.320 0.776 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C[C@@H]1CCOC1 ZINC000292911244 353728664 /nfs/dbraw/zinc/72/86/64/353728664.db2.gz XCVUGOXWFBESTD-NSHDSACASA-N 1 0 224.304 0.094 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292888208 353728748 /nfs/dbraw/zinc/72/87/48/353728748.db2.gz FPBGJZHYAVJSDV-GFCCVEGCSA-N 1 0 234.303 0.431 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@H]1C ZINC000293547840 353748100 /nfs/dbraw/zinc/74/81/00/353748100.db2.gz YRGSLOKJNRGOMD-UTLUCORTSA-N 1 0 239.319 0.727 20 30 BCEDRO C#CCNC(=O)CC[NH+](CC=C)CC=C ZINC000293549377 353748736 /nfs/dbraw/zinc/74/87/36/353748736.db2.gz RDELJYKWEBQQTP-UHFFFAOYSA-N 1 0 206.289 0.800 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCCC[NH+](C)C ZINC000294225081 353771932 /nfs/dbraw/zinc/77/19/32/353771932.db2.gz LCYBCSKAUYTXBG-SNVBAGLBSA-N 1 0 212.293 0.093 20 30 BCEDRO CC#CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000293040619 353736459 /nfs/dbraw/zinc/73/64/59/353736459.db2.gz GZOCEBHHFPAGQB-UHFFFAOYSA-N 1 0 222.248 0.746 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCS[C@H](C)[C@@H]1C ZINC000293308198 353740876 /nfs/dbraw/zinc/74/08/76/353740876.db2.gz ZXIBUOMPUSDKRG-WDEREUQCSA-N 1 0 240.372 0.952 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC000293320905 353741713 /nfs/dbraw/zinc/74/17/13/353741713.db2.gz QYPKCEFUFUSUTR-CMPLNLGQSA-N 1 0 236.319 0.886 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](C)C1 ZINC000293408568 353742997 /nfs/dbraw/zinc/74/29/97/353742997.db2.gz HYZREUQSLZZVIF-PHIMTYICSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000293475789 353745326 /nfs/dbraw/zinc/74/53/26/353745326.db2.gz FJBVILUYJQDRQN-GFCCVEGCSA-N 1 0 246.314 0.269 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@H](C)c1ccc(=O)[nH]n1 ZINC000295032554 353796575 /nfs/dbraw/zinc/79/65/75/353796575.db2.gz OSRDFKMXHOLKHJ-LLVKDONJSA-N 1 0 248.330 0.376 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](SC)C1 ZINC000296075978 353817204 /nfs/dbraw/zinc/81/72/04/353817204.db2.gz CEDRDGORRCPADZ-VIFPVBQESA-N 1 0 214.334 0.726 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H]1C[C@H]1C ZINC000296435960 353824312 /nfs/dbraw/zinc/82/43/12/353824312.db2.gz TYSZBRLKPOBESL-GHMZBOCLSA-N 1 0 223.320 0.649 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NCC(F)F ZINC000296562416 353828434 /nfs/dbraw/zinc/82/84/34/353828434.db2.gz RNDQPZOWBQGOQW-UHFFFAOYSA-N 1 0 233.262 0.506 20 30 BCEDRO C=CC(C)(C)C(=O)NCC[N@H+](CC)CCO ZINC000294982975 353794612 /nfs/dbraw/zinc/79/46/12/353794612.db2.gz MDXAYBDKGNCBOB-UHFFFAOYSA-N 1 0 228.336 0.629 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CCO[C@H](C#N)C1 ZINC000359263685 535248528 /nfs/dbraw/zinc/24/85/28/535248528.db2.gz NZFHMCFNTITFLT-SNVBAGLBSA-N 1 0 225.292 0.079 20 30 BCEDRO C[C@@H]1CN(CC#N)CC[C@@H]1[NH+]1CCN(C)CC1 ZINC000343921914 354043062 /nfs/dbraw/zinc/04/30/62/354043062.db2.gz ISBGZTSMBRDBCA-OLZOCXBDSA-N 1 0 236.363 0.468 20 30 BCEDRO CCN(CCC[NH+](C)C)C(=O)[C@H](C)C#N ZINC000230420699 363311496 /nfs/dbraw/zinc/31/14/96/363311496.db2.gz CWJUKJZEXPKUTR-SNVBAGLBSA-N 1 0 211.309 0.946 20 30 BCEDRO N#C[C@H]1CCC[C@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333783541 181070126 /nfs/dbraw/zinc/07/01/26/181070126.db2.gz LHIDROILXMPPSG-GMTAPVOTSA-N 1 0 236.319 0.730 20 30 BCEDRO C=CCCCC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000449696535 202004771 /nfs/dbraw/zinc/00/47/71/202004771.db2.gz KSBXNPLTUAHLKY-LLVKDONJSA-N 1 0 225.336 0.363 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CCS(=O)(=O)N(C)C ZINC000230987814 363331982 /nfs/dbraw/zinc/33/19/82/363331982.db2.gz VPXZEWIXNJMWTN-SNVBAGLBSA-N 1 0 234.365 0.822 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368800371 166389331 /nfs/dbraw/zinc/38/93/31/166389331.db2.gz NSZBGHFWOYHHPH-VHSXEESVSA-N 1 0 224.304 0.134 20 30 BCEDRO C[C@@]1([NH2+]CC(=O)NCC#N)CCO[C@@H]1C1CC1 ZINC000344368084 354244023 /nfs/dbraw/zinc/24/40/23/354244023.db2.gz XKVONHCKVYAFGE-VXGBXAGGSA-N 1 0 237.303 0.173 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCN(CCOC)C1 ZINC000344326115 354249078 /nfs/dbraw/zinc/24/90/78/354249078.db2.gz NJOSCMQPCVYUNC-OLZOCXBDSA-N 1 0 242.363 0.481 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365105908 166389407 /nfs/dbraw/zinc/38/94/07/166389407.db2.gz BQTBZHXFOGLVAG-GXFFZTMASA-N 1 0 238.331 0.524 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000344385114 354257530 /nfs/dbraw/zinc/25/75/30/354257530.db2.gz IYQCPSODZPOPJD-YPMHNXCESA-N 1 0 240.347 0.772 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)[nH]1 ZINC000269741603 181097732 /nfs/dbraw/zinc/09/77/32/181097732.db2.gz KOLDTIVKMPDDHR-LLVKDONJSA-N 1 0 244.298 0.807 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000036236865 181098449 /nfs/dbraw/zinc/09/84/49/181098449.db2.gz ZPFXJJCWRQUZOO-QWHCGFSZSA-N 1 0 241.294 0.992 20 30 BCEDRO C=CCCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000344506504 354289991 /nfs/dbraw/zinc/28/99/91/354289991.db2.gz CCMYGJYWJJZUMQ-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCC(CC=C)C(=O)NC[C@H]1C[NH2+]C[C@H]1O ZINC000344624147 354328881 /nfs/dbraw/zinc/32/88/81/354328881.db2.gz CUYCWRVIQUXTAK-VXGBXAGGSA-N 1 0 238.331 0.451 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@H](O)CO)c(F)c1 ZINC000083353112 181109498 /nfs/dbraw/zinc/10/94/98/181109498.db2.gz NSKNICKJEYFQRQ-JTQLQIEISA-N 1 0 224.235 0.140 20 30 BCEDRO N#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000186478003 181105594 /nfs/dbraw/zinc/10/55/94/181105594.db2.gz RLDLTPDVYZTJRP-STQMWFEESA-N 1 0 232.283 0.486 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@H](CO)C2)o1 ZINC000092763684 181105907 /nfs/dbraw/zinc/10/59/07/181105907.db2.gz LKCWXHADLBLIHA-VIFPVBQESA-N 1 0 206.245 0.965 20 30 BCEDRO N#Cc1ccc(C[NH2+]CC(=O)NC2CC2)s1 ZINC000135496307 181107293 /nfs/dbraw/zinc/10/72/93/181107293.db2.gz BVZYJMDVZVLDFA-UHFFFAOYSA-N 1 0 235.312 0.988 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@]1(C#N)CC1(C)C ZINC000334631328 354374473 /nfs/dbraw/zinc/37/44/73/354374473.db2.gz MNVBGUZOVLFGFR-SKDRFNHKSA-N 1 0 221.304 0.889 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(CCC#N)CCOC ZINC000383615463 354380840 /nfs/dbraw/zinc/38/08/40/354380840.db2.gz UGXDRHCKGOYPJZ-LBPRGKRZSA-N 1 0 243.351 0.161 20 30 BCEDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)CCCCC#N ZINC000344918540 354387272 /nfs/dbraw/zinc/38/72/72/354387272.db2.gz ROIUOWVWSCZLBS-JTQLQIEISA-N 1 0 247.364 0.550 20 30 BCEDRO CC[N@H+](CC(=O)NC[C@H](C)C#N)C1CC1 ZINC000179046936 366201217 /nfs/dbraw/zinc/20/12/17/366201217.db2.gz 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/nfs/dbraw/zinc/14/31/01/134143101.db2.gz DBGPRPRDWWFTOM-JTQLQIEISA-N 1 0 219.288 0.597 20 30 BCEDRO CNC(=O)[C@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000088259379 356647359 /nfs/dbraw/zinc/64/73/59/356647359.db2.gz NXIZEPIMQMRMQP-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO CC#CCN1CC[NH+](C2CCOCC2)CC1 ZINC000336495726 134148513 /nfs/dbraw/zinc/14/85/13/134148513.db2.gz YXLATQRUOFDHMH-UHFFFAOYSA-N 1 0 222.332 0.806 20 30 BCEDRO Cc1cc(N[C@@H]2CCC(=O)N(C)C2)c(C#N)cn1 ZINC000399399256 356661573 /nfs/dbraw/zinc/66/15/73/356661573.db2.gz VUYSYWQXLMZYDZ-LLVKDONJSA-N 1 0 244.298 0.716 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000167662181 134153955 /nfs/dbraw/zinc/15/39/55/134153955.db2.gz JPOWAACFWGUEQC-MNOVXSKESA-N 1 0 225.336 0.205 20 30 BCEDRO C=CCOCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761807 356679867 /nfs/dbraw/zinc/67/98/67/356679867.db2.gz FCBHUIXNIJDECR-ZDUSSCGKSA-N 1 0 242.363 0.578 20 30 BCEDRO C=C(Cl)CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000167945256 134155014 /nfs/dbraw/zinc/15/50/14/134155014.db2.gz VHCSUKCQOFMWQV-MRVPVSSYSA-N 1 0 202.685 0.855 20 30 BCEDRO C[N@@H+](CC(=O)NCC#N)C[C@H]1CCCC[C@@H]1O ZINC000305815095 134160585 /nfs/dbraw/zinc/16/05/85/134160585.db2.gz OABJLSMXWXRKCP-MNOVXSKESA-N 1 0 239.319 0.109 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000353952612 134165545 /nfs/dbraw/zinc/16/55/45/134165545.db2.gz DUIATZCGOCGGBP-ZJUUUORDSA-N 1 0 230.275 0.432 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000353952599 134165629 /nfs/dbraw/zinc/16/56/29/134165629.db2.gz DUIATZCGOCGGBP-UWVGGRQHSA-N 1 0 230.275 0.432 20 30 BCEDRO C=CCOCC(=O)NCC1CC[NH+](C)CC1 ZINC000354872417 134170526 /nfs/dbraw/zinc/17/05/26/134170526.db2.gz APFIYIMPIWZEDZ-UHFFFAOYSA-N 1 0 226.320 0.647 20 30 BCEDRO CC#CC[N@H+](C)C1(CCO)CCOCC1 ZINC000355029233 134171414 /nfs/dbraw/zinc/17/14/14/134171414.db2.gz UVUXUKNTTZKPGD-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO CN(c1ccc(C#N)cn1)C1CC([NH3+])C1 ZINC000384817946 356762546 /nfs/dbraw/zinc/76/25/46/356762546.db2.gz DNZOFJSKDPPQFU-UHFFFAOYSA-N 1 0 202.261 0.879 20 30 BCEDRO C=CCOCC(=O)N(CCOC)CC[NH+](C)C ZINC000355251028 134172436 /nfs/dbraw/zinc/17/24/36/134172436.db2.gz WOPUGBHDIUJTIL-UHFFFAOYSA-N 1 0 244.335 0.226 20 30 BCEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCO ZINC000355443179 134173253 /nfs/dbraw/zinc/17/32/53/134173253.db2.gz LJXXCVNABUAWQQ-ZYHUDNBSSA-N 1 0 241.335 0.353 20 30 BCEDRO C[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384904293 356795344 /nfs/dbraw/zinc/79/53/44/356795344.db2.gz NWAFTVPEEWPWFX-IMSYWVGJSA-N 1 0 207.277 0.164 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C3(C#N)CCC3)C[C@H]21 ZINC000385034640 356871326 /nfs/dbraw/zinc/87/13/26/356871326.db2.gz YPUJHHDFOWYCPT-URLYPYJESA-N 1 0 233.315 0.699 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000193334752 356900099 /nfs/dbraw/zinc/90/00/99/356900099.db2.gz SWLWBUHDLBQPQZ-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C[N@@H+]1CCN(CC#Cc2ccccc2)[C@H](CO)C1 ZINC000639872554 357043882 /nfs/dbraw/zinc/04/38/82/357043882.db2.gz RKIZVANUNBNYLI-HNNXBMFYSA-N 1 0 244.338 0.646 20 30 BCEDRO CC#CCNC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000367286263 134186023 /nfs/dbraw/zinc/18/60/23/134186023.db2.gz NDWUVLLTZZRRSM-GFCCVEGCSA-N 1 0 240.372 0.953 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)N[C@H](C)C[NH+](C)C ZINC000358500429 134189401 /nfs/dbraw/zinc/18/94/01/134189401.db2.gz MHLBHLWRBCUGEW-ZJUUUORDSA-N 1 0 229.324 0.173 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000358655597 134192080 /nfs/dbraw/zinc/19/20/80/134192080.db2.gz ADDRAOIPNCSMMI-LOWVWBTDSA-N 1 0 240.347 0.865 20 30 BCEDRO CO/N=C/C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000367315992 134190856 /nfs/dbraw/zinc/19/08/56/134190856.db2.gz BVLCSBSAVBRRNP-GIBIPJLXSA-N 1 0 225.292 0.362 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)CC#N ZINC000358619568 134190858 /nfs/dbraw/zinc/19/08/58/134190858.db2.gz ZCGGFDMTRLWWSA-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO Cn1cc(N2CCC[C@@H]([NH2+]CCC#N)C2)cn1 ZINC000583688862 357120528 /nfs/dbraw/zinc/12/05/28/357120528.db2.gz HGVNAMICZRKYTL-LLVKDONJSA-N 1 0 233.319 0.892 20 30 BCEDRO CCC[N@H+](C)CC(=O)N(C)C[C@@H](C)C#N ZINC000359334316 134194455 /nfs/dbraw/zinc/19/44/55/134194455.db2.gz SRLZNNWNCJCURS-JTQLQIEISA-N 1 0 211.309 0.946 20 30 BCEDRO COCC[N@H+](C)C[C@@H](O)CN(C)C[C@H](C)C#N ZINC000393850588 357303135 /nfs/dbraw/zinc/30/31/35/357303135.db2.gz RCRDUJNWTHTUST-VXGBXAGGSA-N 1 0 243.351 0.017 20 30 BCEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000393846078 357303572 /nfs/dbraw/zinc/30/35/72/357303572.db2.gz LGFAEGZWZRETKF-CHWSQXEVSA-N 1 0 242.363 0.624 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]CCCCC#N ZINC000193646013 357262120 /nfs/dbraw/zinc/26/21/20/357262120.db2.gz PQOSKFLHVBXTDX-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCCCC#N ZINC000582723199 357372137 /nfs/dbraw/zinc/37/21/37/357372137.db2.gz ATGFTYGSIAWAHZ-BDAKNGLRSA-N 1 0 212.297 0.715 20 30 BCEDRO C=CC[N@@H+](CCCC(=O)N(C)C)CCOC ZINC000582614941 357353233 /nfs/dbraw/zinc/35/32/33/357353233.db2.gz ODNRLPLYCVOJCE-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO N#CC1(C[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000582661143 357356631 /nfs/dbraw/zinc/35/66/31/357356631.db2.gz QXYLADNMBCMKED-SNVBAGLBSA-N 1 0 220.276 0.137 20 30 BCEDRO CSCCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000582781285 357391265 /nfs/dbraw/zinc/39/12/65/357391265.db2.gz XPAAOUBFBNYSAK-LLVKDONJSA-N 1 0 245.392 0.535 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000360593921 134200980 /nfs/dbraw/zinc/20/09/80/134200980.db2.gz GMDKWMGXAVIHEH-GFCCVEGCSA-N 1 0 235.331 0.936 20 30 BCEDRO N#CCC[NH2+][C@@H]1CCN(CC(F)F)C1 ZINC000582959924 357438815 /nfs/dbraw/zinc/43/88/15/357438815.db2.gz TZOINYILAFSOHY-MRVPVSSYSA-N 1 0 203.236 0.829 20 30 BCEDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)CCCC#N ZINC000360654563 134202002 /nfs/dbraw/zinc/20/20/02/134202002.db2.gz VAZNAUYWAGYRHL-SNVBAGLBSA-N 1 0 247.364 0.550 20 30 BCEDRO C[C@@H](CC#N)[N@H+](C)CC[C@@H]1CCNC1=O ZINC000395868349 357458385 /nfs/dbraw/zinc/45/83/85/357458385.db2.gz WUDCTMSGOCTRAI-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230378237 357532579 /nfs/dbraw/zinc/53/25/79/357532579.db2.gz HKKPXZYJJFTNDD-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000361505389 134205698 /nfs/dbraw/zinc/20/56/98/134205698.db2.gz OCNJAHIZVATKMO-UWVGGRQHSA-N 1 0 239.319 0.250 20 30 BCEDRO COCCC[N@H+](CCO)CCCC#N ZINC000189921845 357676890 /nfs/dbraw/zinc/67/68/90/357676890.db2.gz NHVCGWNUQWRKNI-UHFFFAOYSA-N 1 0 200.282 0.621 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000368239478 134217865 /nfs/dbraw/zinc/21/78/65/134217865.db2.gz IRVWVPFDYBDWDV-GHMZBOCLSA-N 1 0 206.289 0.468 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000368313298 134218036 /nfs/dbraw/zinc/21/80/36/134218036.db2.gz UKIIHZGZLXGATB-VXGBXAGGSA-N 1 0 236.315 0.237 20 30 BCEDRO C=CCOCCCC(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368383044 134218378 /nfs/dbraw/zinc/21/83/78/134218378.db2.gz BPGNUHMWSBKJGX-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO CNC(=O)[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)C ZINC000191448480 357770911 /nfs/dbraw/zinc/77/09/11/357770911.db2.gz MWCHHQXKPHSTPI-GFCCVEGCSA-N 1 0 248.330 0.757 20 30 BCEDRO CC[N@H+](CCCSCC#N)CC(N)=O ZINC000191732434 357791285 /nfs/dbraw/zinc/79/12/85/357791285.db2.gz BXBPIBLLUPSLFI-UHFFFAOYSA-N 1 0 215.322 0.440 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCOCC[C@H]2C)C1=O ZINC000369195772 134221668 /nfs/dbraw/zinc/22/16/68/134221668.db2.gz VVNPUZGUUOFBNU-VXGBXAGGSA-N 1 0 238.331 0.884 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000370258843 134225355 /nfs/dbraw/zinc/22/53/55/134225355.db2.gz APIPITRROGVZOD-RUJTVUFUSA-N 1 0 225.292 0.171 20 30 BCEDRO C#CC[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000369819706 134223499 /nfs/dbraw/zinc/22/34/99/134223499.db2.gz PUQUOIXZRGYKJM-NEPJUHHUSA-N 1 0 235.331 0.888 20 30 BCEDRO C[N@H+]1C[C@H]2CN(C(=O)C(C)(C)C#N)C[C@H]2C1 ZINC000192462924 357836047 /nfs/dbraw/zinc/83/60/47/357836047.db2.gz RTJNOYCEZMPAOQ-AOOOYVTPSA-N 1 0 221.304 0.556 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613657647 363590436 /nfs/dbraw/zinc/59/04/36/363590436.db2.gz GFGVPKLGQCBIPQ-CKYFFXLPSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CC[N@H+]1CCCN(CC(=O)OC)CC1 ZINC000370227566 134224916 /nfs/dbraw/zinc/22/49/16/134224916.db2.gz MJLJFWFJBAVFLN-UHFFFAOYSA-N 1 0 212.293 0.353 20 30 BCEDRO C#CCC[N@@H+]1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000371209498 134227746 /nfs/dbraw/zinc/22/77/46/134227746.db2.gz URYMTGPEZFZNTE-VXGBXAGGSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000300423199 134228882 /nfs/dbraw/zinc/22/88/82/134228882.db2.gz OMYISRQLFUUWEV-DLOVCJGASA-N 1 0 236.315 0.281 20 30 BCEDRO C#CCC[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372497063 134231905 /nfs/dbraw/zinc/23/19/05/134231905.db2.gz RWONAIJHKOIHLY-CYBMUJFWSA-N 1 0 220.316 0.954 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000639935909 357936584 /nfs/dbraw/zinc/93/65/84/357936584.db2.gz PSFUYWFIJZEQAI-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCC1(C#N)CC1 ZINC000583801999 357953244 /nfs/dbraw/zinc/95/32/44/357953244.db2.gz LXHILPIVQJYSPU-NXEZZACHSA-N 1 0 236.319 0.587 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000374396408 134236618 /nfs/dbraw/zinc/23/66/18/134236618.db2.gz YFGFUKJFOXRVCN-VXGBXAGGSA-N 1 0 238.331 0.647 20 30 BCEDRO C=C(C)CC[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945096 357969594 /nfs/dbraw/zinc/96/95/94/357969594.db2.gz RWRVGMXBBQEGGB-STQMWFEESA-N 1 0 236.315 0.937 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639950343 357973028 /nfs/dbraw/zinc/97/30/28/357973028.db2.gz SAIPSURELTYMTF-LEWSCRJBSA-N 1 0 248.326 0.773 20 30 BCEDRO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)c1 ZINC000610604205 358015943 /nfs/dbraw/zinc/01/59/43/358015943.db2.gz HNPYBORLCHRELT-BETUJISGSA-N 1 0 232.283 0.486 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)CC[C@@H](C)O ZINC000075781764 325311753 /nfs/dbraw/zinc/31/17/53/325311753.db2.gz LTBITJBDNLTZOV-LLVKDONJSA-N 1 0 241.335 0.451 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1c[nH]nc1C ZINC000264106860 535389080 /nfs/dbraw/zinc/38/90/80/535389080.db2.gz PUTWAVRGRXUNBS-UHFFFAOYSA-N 1 0 209.297 0.875 20 30 BCEDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CSCC#N)C1 ZINC000610671183 358057938 /nfs/dbraw/zinc/05/79/38/358057938.db2.gz VLLYZGYNOSJBJW-NXEZZACHSA-N 1 0 241.360 0.700 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1nnc2n1CCC2 ZINC000262261778 535390511 /nfs/dbraw/zinc/39/05/11/535390511.db2.gz JMKFEAVXVKRADO-UHFFFAOYSA-N 1 0 236.323 0.381 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1ncccc1O ZINC000262453448 535390704 /nfs/dbraw/zinc/39/07/04/535390704.db2.gz KJPVYKNXKHLJQV-UHFFFAOYSA-N 1 0 222.292 0.944 20 30 BCEDRO C[C@@H]1CN(C)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677420 358065900 /nfs/dbraw/zinc/06/59/00/358065900.db2.gz FHTAWKSCBXFBMR-DGCLKSJQSA-N 1 0 236.363 0.514 20 30 BCEDRO CCNC(NCc1c[nH]nc1C)=[NH+]CC ZINC000171145629 134256904 /nfs/dbraw/zinc/25/69/04/134256904.db2.gz KXPKSJWWNBLCNT-UHFFFAOYSA-N 1 0 209.297 0.793 20 30 BCEDRO CC1CCN(C(=[NH2+])NCCOCCO)CC1 ZINC000171145372 134256914 /nfs/dbraw/zinc/25/69/14/134256914.db2.gz SDOFMPOCIMJZIE-UHFFFAOYSA-N 1 0 229.324 0.042 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+](C)CC1CC1 ZINC000052106344 358142702 /nfs/dbraw/zinc/14/27/02/358142702.db2.gz DEVILTYAASOPRV-UHFFFAOYSA-N 1 0 225.292 0.340 20 30 BCEDRO CC[N@H+](C)CCNC(=O)NCCCCC#N ZINC000171433939 134258507 /nfs/dbraw/zinc/25/85/07/134258507.db2.gz JEOMIEHKWUOWTB-UHFFFAOYSA-N 1 0 226.324 0.931 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)CCC(C)C ZINC000052245393 358153229 /nfs/dbraw/zinc/15/32/29/358153229.db2.gz LZMWUHNUBDFMAF-UHFFFAOYSA-N 1 0 241.335 0.976 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613659579 363598846 /nfs/dbraw/zinc/59/88/46/363598846.db2.gz AXQXCRXFPZGUND-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCCO2)CC1 ZINC000171726824 134260588 /nfs/dbraw/zinc/26/05/88/134260588.db2.gz GOWLNZLYHZNJTO-GFCCVEGCSA-N 1 0 238.331 0.932 20 30 BCEDRO CCNC(=O)C1(C[NH2+]CCC#N)CCC1 ZINC000584835002 358197001 /nfs/dbraw/zinc/19/70/01/358197001.db2.gz MOJAZMHLFOJTSC-UHFFFAOYSA-N 1 0 209.293 0.796 20 30 BCEDRO C[N@H+](CCCO)Cc1ccc(C#N)cn1 ZINC000584847646 358201330 /nfs/dbraw/zinc/20/13/30/358201330.db2.gz UBSGACPIMJBPPW-UHFFFAOYSA-N 1 0 205.261 0.767 20 30 BCEDRO C=CC[N@@H+](C[C@@H](O)COCCOC)C1CC1 ZINC000450646179 202223132 /nfs/dbraw/zinc/22/31/32/202223132.db2.gz QODNDPOMINYJLB-GFCCVEGCSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000450732510 202249245 /nfs/dbraw/zinc/24/92/45/202249245.db2.gz ICSJYTGFJMKLPS-DCAQKATOSA-N 1 0 201.310 0.920 20 30 BCEDRO CCNC(=[NH2+])NC[C@H](O)c1ccc(OC)cc1 ZINC000264129188 535423610 /nfs/dbraw/zinc/42/36/10/535423610.db2.gz XIWIBOWIISJKTO-NSHDSACASA-N 1 0 237.303 0.653 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(C)n(C)c1=O ZINC000262794908 535423845 /nfs/dbraw/zinc/42/38/45/535423845.db2.gz PCQDYPVLYLLZQR-UHFFFAOYSA-N 1 0 222.292 0.118 20 30 BCEDRO CCNC(=[NH2+])N[C@@H]1C[C@@H](OCC)[C@]12CCCO2 ZINC000262402071 535424141 /nfs/dbraw/zinc/42/41/41/535424141.db2.gz VFTRZYPBHCBYJK-FOGDFJRCSA-N 1 0 241.335 0.637 20 30 BCEDRO CCNC(=[NH2+])NCc1nc2ccccc2n1C ZINC000264148436 535424323 /nfs/dbraw/zinc/42/43/23/535424323.db2.gz YQNUVOKKCGXMPW-UHFFFAOYSA-N 1 0 231.303 0.998 20 30 BCEDRO CC[C@@H](C)[N@H+](C)CCNS(=O)(=O)[C@@H](C)C#N ZINC000219305189 134281449 /nfs/dbraw/zinc/28/14/49/134281449.db2.gz LSJHGVALXIAVRM-ZJUUUORDSA-N 1 0 247.364 0.548 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000044826240 358556523 /nfs/dbraw/zinc/55/65/23/358556523.db2.gz UHWHWZJHOHHBHD-SNVBAGLBSA-N 1 0 223.320 0.946 20 30 BCEDRO CNC(=O)CN(C)Cc1cccc(C#N)c1F ZINC000219515641 134285048 /nfs/dbraw/zinc/28/50/48/134285048.db2.gz QEYJQQQEANTXLK-UHFFFAOYSA-N 1 0 235.262 0.875 20 30 BCEDRO N#CCCN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129645241 358591198 /nfs/dbraw/zinc/59/11/98/358591198.db2.gz FENGOWMBFVMZDQ-LBPRGKRZSA-N 1 0 223.320 0.554 20 30 BCEDRO C[C@H](C#N)C[N@H+](C)CCCC(=O)NC(N)=O ZINC000049442101 358689238 /nfs/dbraw/zinc/68/92/38/358689238.db2.gz LOQCXMMQDWDRNM-MRVPVSSYSA-N 1 0 226.280 0.053 20 30 BCEDRO C[C@H](CO)N(C)CC(=O)Nc1ccc(C#N)cc1 ZINC000131852467 358697799 /nfs/dbraw/zinc/69/77/99/358697799.db2.gz JWHKLMJENZYBJQ-SNVBAGLBSA-N 1 0 247.298 0.809 20 30 BCEDRO C[C@H](O)C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000051821618 358763946 /nfs/dbraw/zinc/76/39/46/358763946.db2.gz FQODPPWTGPGJIR-CABZTGNLSA-N 1 0 239.319 0.107 20 30 BCEDRO C[C@H](C#N)C[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000132829461 358736762 /nfs/dbraw/zinc/73/67/62/358736762.db2.gz BZZOSQHFZJIURS-SNVBAGLBSA-N 1 0 238.335 0.882 20 30 BCEDRO Cn1cc(-c2cccc(CNC(N)=[NH2+])c2)cn1 ZINC000134474963 358791749 /nfs/dbraw/zinc/79/17/49/358791749.db2.gz PKGOLUJYYFNKFT-UHFFFAOYSA-N 1 0 229.287 0.861 20 30 BCEDRO C=CC[NH2+]Cc1ccc(S(N)(=O)=O)s1 ZINC000308506828 491136669 /nfs/dbraw/zinc/13/66/69/491136669.db2.gz FYPVSLXVKVVQPL-UHFFFAOYSA-N 1 0 232.330 0.671 20 30 BCEDRO CC#CC[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135436341 358838501 /nfs/dbraw/zinc/83/85/01/358838501.db2.gz GLXIOMRMXPMTRV-UHFFFAOYSA-N 1 0 235.331 0.889 20 30 BCEDRO COC1CCC([NH2+]CCn2cnc(C#N)n2)CC1 ZINC000353971378 358912733 /nfs/dbraw/zinc/91/27/33/358912733.db2.gz GHWMPWOHMQUZAL-UHFFFAOYSA-N 1 0 249.318 0.697 20 30 BCEDRO COCC#CC[NH2+][C@@H]1CCCn2nccc21 ZINC000640221399 358891704 /nfs/dbraw/zinc/89/17/04/358891704.db2.gz WVMMKOPBGUFWQU-LLVKDONJSA-N 1 0 219.288 0.957 20 30 BCEDRO N#CCCN1CC[NH+]([C@H]2CCCOC2)CC1 ZINC000611175468 358933817 /nfs/dbraw/zinc/93/38/17/358933817.db2.gz CTKMCCXSXDROEQ-LBPRGKRZSA-N 1 0 223.320 0.697 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000178060539 134302468 /nfs/dbraw/zinc/30/24/68/134302468.db2.gz SPCDPWFAQJZIJJ-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO CC#CCN1CCO[C@@H]([C@H]2CCCO2)C1 ZINC000246988589 359181192 /nfs/dbraw/zinc/18/11/92/359181192.db2.gz GMKQBXVZCCZOCJ-VXGBXAGGSA-N 1 0 209.289 0.890 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000247664161 359239196 /nfs/dbraw/zinc/23/91/96/359239196.db2.gz XULMXPQXOQZOMC-MNOVXSKESA-N 1 0 244.335 0.136 20 30 BCEDRO N#CCN1CCC[C@H]1CN1CCOCC1 ZINC000075889677 359244419 /nfs/dbraw/zinc/24/44/19/359244419.db2.gz ONWLGPWSQKUPDW-NSHDSACASA-N 1 0 209.293 0.307 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000611237490 359204574 /nfs/dbraw/zinc/20/45/74/359204574.db2.gz LCDOZVYZQXJBLS-PWSUYJOCSA-N 1 0 227.304 0.808 20 30 BCEDRO CC(C)(CCC#N)C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000611276802 359288469 /nfs/dbraw/zinc/28/84/69/359288469.db2.gz MXZOGVCASBLJDI-PHIMTYICSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000611623434 359401677 /nfs/dbraw/zinc/40/16/77/359401677.db2.gz AKPXMNWGFPRMLW-VHSXEESVSA-N 1 0 224.308 0.539 20 30 BCEDRO COCC#CC[NH2+][C@H](C)Cn1cccn1 ZINC000308944683 491140824 /nfs/dbraw/zinc/14/08/24/491140824.db2.gz NJIKJYGOXCRCRX-LLVKDONJSA-N 1 0 207.277 0.511 20 30 BCEDRO C=CCCn1cc(C(=O)NCC(C)(C)[NH3+])nn1 ZINC000424077747 192860386 /nfs/dbraw/zinc/86/03/86/192860386.db2.gz OQKPPJAHSGVTRU-UHFFFAOYSA-N 1 0 237.307 0.321 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000612108356 359656698 /nfs/dbraw/zinc/65/66/98/359656698.db2.gz WJVFBGWYHLVZQU-KKZNHRDASA-N 1 0 224.304 0.275 20 30 BCEDRO C[C@H](CO)[N@H+](C[C@H](C)O)CC1(C#N)CCC1 ZINC000450830506 202280422 /nfs/dbraw/zinc/28/04/22/202280422.db2.gz ODMLJPXWCNYOLZ-MNOVXSKESA-N 1 0 226.320 0.744 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@](C)(O)C(C)=O ZINC000450840721 202283250 /nfs/dbraw/zinc/28/32/50/202283250.db2.gz YXQAPKPIKOATQC-NSHDSACASA-N 1 0 215.293 0.461 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(CC)CCC[NH+](C)C ZINC000613860926 363670840 /nfs/dbraw/zinc/67/08/40/363670840.db2.gz HZVVSWXAHQLHAD-LBPRGKRZSA-N 1 0 228.336 0.724 20 30 BCEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451150290 202364576 /nfs/dbraw/zinc/36/45/76/202364576.db2.gz TWGXCLVHKAPUMD-NEPJUHHUSA-N 1 0 210.321 0.967 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000613966556 363693077 /nfs/dbraw/zinc/69/30/77/363693077.db2.gz BPBRXHNXQGEBGI-WCQYABFASA-N 1 0 240.347 0.722 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)N1CC[C@H](F)C1 ZINC000451189321 202372933 /nfs/dbraw/zinc/37/29/33/202372933.db2.gz PBBSQGKZFVNICJ-ZJUUUORDSA-N 1 0 227.283 0.791 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000614009317 363700260 /nfs/dbraw/zinc/70/02/60/363700260.db2.gz ODYXTHPJSDCUJG-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000451225630 202381548 /nfs/dbraw/zinc/38/15/48/202381548.db2.gz GVDVPVYDHWRSQM-GHMZBOCLSA-N 1 0 215.293 0.007 20 30 BCEDRO CC#CC[N@@H+]1C[C@H](O)C[C@H]1[C@H]1CCCOC1 ZINC000451300900 202399414 /nfs/dbraw/zinc/39/94/14/202399414.db2.gz MTZKTUMITTWLHZ-XQQFMLRXSA-N 1 0 223.316 0.872 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000088474854 359956123 /nfs/dbraw/zinc/95/61/23/359956123.db2.gz FOMBKOBUPUUJSW-VIFPVBQESA-N 1 0 247.364 0.406 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000088485547 359958759 /nfs/dbraw/zinc/95/87/59/359958759.db2.gz DIYZZXMJRNIOCY-VHSXEESVSA-N 1 0 245.348 0.254 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1c1nccc(C#N)n1 ZINC000578834956 366655072 /nfs/dbraw/zinc/65/50/72/366655072.db2.gz IIZUTIFDICOSFN-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1c1nccc(C#N)n1 ZINC000578834954 366655087 /nfs/dbraw/zinc/65/50/87/366655087.db2.gz IIZUTIFDICOSFN-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000612649919 359971157 /nfs/dbraw/zinc/97/11/57/359971157.db2.gz OOGVHZBCXDUNDK-UTUOFQBUSA-N 1 0 238.331 0.476 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000612649918 359971537 /nfs/dbraw/zinc/97/15/37/359971537.db2.gz OOGVHZBCXDUNDK-TUAOUCFPSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CC[NH+]1CCC(Nc2cc(=O)n(C)cn2)CC1 ZINC000578907478 366674345 /nfs/dbraw/zinc/67/43/45/366674345.db2.gz XZWBKAJPZDMSOI-UHFFFAOYSA-N 1 0 248.330 0.843 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CN1CCOCC1 ZINC000451604803 202446872 /nfs/dbraw/zinc/44/68/72/202446872.db2.gz BTDOBGIDYCRRAL-UPJWGTAASA-N 1 0 240.347 0.640 20 30 BCEDRO C[C@H](CO)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000092807396 360201275 /nfs/dbraw/zinc/20/12/75/360201275.db2.gz MLLCALFDYHHGJI-SNVBAGLBSA-N 1 0 227.308 0.061 20 30 BCEDRO C=CCCOCCNC(=O)C1([NH+](C)C)CC1 ZINC000613017492 360261812 /nfs/dbraw/zinc/26/18/12/360261812.db2.gz OWTPMBIPZWXAEZ-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCOCC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614039046 363713704 /nfs/dbraw/zinc/71/37/04/363713704.db2.gz KXFXBDHKVQCBAZ-UHFFFAOYSA-N 1 0 224.304 0.353 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000309409066 491148774 /nfs/dbraw/zinc/14/87/74/491148774.db2.gz BKWLVVWSHHLWPG-DCAQKATOSA-N 1 0 226.320 0.428 20 30 BCEDRO C[N@H+](CCCO)Cc1ccnc(C#N)c1 ZINC000300809355 360514414 /nfs/dbraw/zinc/51/44/14/360514414.db2.gz KSVURGHOIQZQKM-UHFFFAOYSA-N 1 0 205.261 0.767 20 30 BCEDRO CCO[C@H]1COCC[C@@H]1[NH2+]CC#CCOC ZINC000309489668 491149646 /nfs/dbraw/zinc/14/96/46/491149646.db2.gz WQPNZVASJVVARI-RYUDHWBXSA-N 1 0 227.304 0.420 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CCC[N@H+]1C ZINC000628648614 360596779 /nfs/dbraw/zinc/59/67/79/360596779.db2.gz FLJFVBSLLGHJFI-KOLCDFICSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628748659 360631956 /nfs/dbraw/zinc/63/19/56/360631956.db2.gz CMLLKFYQMQWRJW-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000061778439 360676202 /nfs/dbraw/zinc/67/62/02/360676202.db2.gz BRJRKPIGYYUMCD-UHFFFAOYSA-N 1 0 236.315 0.190 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000429159244 200705179 /nfs/dbraw/zinc/70/51/79/200705179.db2.gz ZXEFFPHFBGNNST-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000417967724 200824229 /nfs/dbraw/zinc/82/42/29/200824229.db2.gz VYPBVDJIVQFWOQ-NSHDSACASA-N 1 0 243.351 0.862 20 30 BCEDRO C=CCCn1cc(C(=O)NCC2([NH3+])CCC2)nn1 ZINC000424139615 200863953 /nfs/dbraw/zinc/86/39/53/200863953.db2.gz DLPOKSCRFFKOCU-UHFFFAOYSA-N 1 0 249.318 0.465 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CC[NH2+]C1 ZINC000424154084 200869018 /nfs/dbraw/zinc/86/90/18/200869018.db2.gz MDPWUJCXBCMPJZ-TUAOUCFPSA-N 1 0 238.331 0.693 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[NH2+]C2)C1 ZINC000424217309 200890768 /nfs/dbraw/zinc/89/07/68/200890768.db2.gz KVJIPOQIUGGQKX-IVZWLZJFSA-N 1 0 207.277 0.404 20 30 BCEDRO CC(C)[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424475392 200928733 /nfs/dbraw/zinc/92/87/33/200928733.db2.gz JGZQOTWEEFIDIY-AXFHLTTASA-N 1 0 238.335 0.961 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@H]([NH3+])C2)C1 ZINC000424474167 200928862 /nfs/dbraw/zinc/92/88/62/200928862.db2.gz XMXGORHTCUHLTH-LPEHRKFASA-N 1 0 222.292 0.421 20 30 BCEDRO C[C@@H](F)CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000579103479 366710213 /nfs/dbraw/zinc/71/02/13/366710213.db2.gz NEXSLGWZLPMBEU-MNOVXSKESA-N 1 0 231.315 0.530 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCCO ZINC000160726745 361325691 /nfs/dbraw/zinc/32/56/91/361325691.db2.gz AUPBCCDATHUASJ-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=CCNC(=O)C[NH2+]CC1(OC)CCOCC1 ZINC000428880448 201047747 /nfs/dbraw/zinc/04/77/47/201047747.db2.gz JXENKQRMSVKCBK-UHFFFAOYSA-N 1 0 242.319 0.074 20 30 BCEDRO C=CCCOCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000309796151 491156738 /nfs/dbraw/zinc/15/67/38/491156738.db2.gz QFVAIQOYNNBUKB-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CCC)CC(N)=O ZINC000429126126 201070484 /nfs/dbraw/zinc/07/04/84/201070484.db2.gz FUKURWSEHXNGSA-JTQLQIEISA-N 1 0 214.309 0.511 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000429281390 201090269 /nfs/dbraw/zinc/09/02/69/201090269.db2.gz BPXSCZVQRIMUMX-QWRGUYRKSA-N 1 0 226.320 0.823 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1cc(O)cc(C#N)c1 ZINC000614357303 363790599 /nfs/dbraw/zinc/79/05/99/363790599.db2.gz YGAYZPSJGKKVJJ-UHFFFAOYSA-N 1 0 247.298 0.945 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)C1(CO)CCC1 ZINC000429240940 201083316 /nfs/dbraw/zinc/08/33/16/201083316.db2.gz XWLJOSDNHVEFSP-UHFFFAOYSA-N 1 0 212.293 0.135 20 30 BCEDRO C[C@@H]1COCC[N@@H+]1C1CCN(CC#N)CC1 ZINC000579310775 366756537 /nfs/dbraw/zinc/75/65/37/366756537.db2.gz WHYVHKYBQKNAKH-LLVKDONJSA-N 1 0 223.320 0.695 20 30 BCEDRO C[C@@H](C#N)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000579308414 366757071 /nfs/dbraw/zinc/75/70/71/366757071.db2.gz KWAZTDJXBJMGGG-JTQLQIEISA-N 1 0 232.287 0.936 20 30 BCEDRO N#CCCNC[C@H](O)C[NH+]1CCCCC1 ZINC000579354483 366768184 /nfs/dbraw/zinc/76/81/84/366768184.db2.gz ZPJWXZFBHIUIAB-NSHDSACASA-N 1 0 211.309 0.336 20 30 BCEDRO C[C@H](CC#N)N(C)CC[N@@H+]1CCCOCC1 ZINC000429701336 201126205 /nfs/dbraw/zinc/12/62/05/201126205.db2.gz VBXGXKPZZHXQDU-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)N(C)C ZINC000429723246 201128548 /nfs/dbraw/zinc/12/85/48/201128548.db2.gz UQACXQLRZICYTQ-LBPRGKRZSA-N 1 0 241.379 0.903 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)OC ZINC000429711423 201129939 /nfs/dbraw/zinc/12/99/39/201129939.db2.gz PKTDSCLYIRJOOZ-UHFFFAOYSA-N 1 0 214.309 0.599 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000429773776 201131761 /nfs/dbraw/zinc/13/17/61/201131761.db2.gz RJVMMVWFQFAXLH-SDDRHHMPSA-N 1 0 240.347 0.818 20 30 BCEDRO C=C[C@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000224555244 491157845 /nfs/dbraw/zinc/15/78/45/491157845.db2.gz UOMCHWADLCVMJQ-VIFPVBQESA-N 1 0 232.349 0.575 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000249090663 325636801 /nfs/dbraw/zinc/63/68/01/325636801.db2.gz DBNSYCYUIHKJRD-TUAOUCFPSA-N 1 0 240.347 0.947 20 30 BCEDRO CC(=O)NCCC[N@@H+](C)CC(C)(C)C#N ZINC000433303661 201179150 /nfs/dbraw/zinc/17/91/50/201179150.db2.gz IUCNMNCZGDSEOT-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C[N@H+](CCCC(=O)NC(N)=O)CC(C)(C)C#N ZINC000433299283 201175838 /nfs/dbraw/zinc/17/58/38/201175838.db2.gz BRRUWBXLLOWAOM-UHFFFAOYSA-N 1 0 240.307 0.443 20 30 BCEDRO CC[NH+](CC)CCNC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000448553176 201254694 /nfs/dbraw/zinc/25/46/94/201254694.db2.gz AULQLVMQHWJBGP-CMPLNLGQSA-N 1 0 223.320 0.994 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000435438373 201271378 /nfs/dbraw/zinc/27/13/78/201271378.db2.gz PGKXJKFXYNGICR-QWRGUYRKSA-N 1 0 246.376 0.965 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC000435735459 201286505 /nfs/dbraw/zinc/28/65/05/201286505.db2.gz NBHIFOIIHLJHTJ-JQWIXIFHSA-N 1 0 236.319 0.886 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000448561402 201274673 /nfs/dbraw/zinc/27/46/73/201274673.db2.gz GFOOAUVXSJBQST-MNOVXSKESA-N 1 0 226.320 0.645 20 30 BCEDRO CC#CCC[NH+]1CCN(CCOC)CC1 ZINC000155087826 201300434 /nfs/dbraw/zinc/30/04/34/201300434.db2.gz AGFOSXRYUCLGEU-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO CC#CCCN1CC[NH+]([C@H](CC)CO)CC1 ZINC000155825636 201352971 /nfs/dbraw/zinc/35/29/71/201352971.db2.gz BCCAJIPFPNEWIA-CYBMUJFWSA-N 1 0 224.348 0.788 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCN(CC)C[C@H]1C ZINC000614711274 363935534 /nfs/dbraw/zinc/93/55/34/363935534.db2.gz VVRGUFAXRROMCU-ZJUUUORDSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000614794204 363979504 /nfs/dbraw/zinc/97/95/04/363979504.db2.gz QESNKRZZISRVNA-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CC(C)(C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614841268 363990770 /nfs/dbraw/zinc/99/07/70/363990770.db2.gz DCQYNZRBCNTSJH-SECBINFHSA-N 1 0 214.309 0.237 20 30 BCEDRO C=C(C)COCCNC(=O)NC(C)(C)C[NH3+] ZINC000417892996 219934135 /nfs/dbraw/zinc/93/41/35/219934135.db2.gz RJIVNQVDUQAUGF-UHFFFAOYSA-N 1 0 229.324 0.616 20 30 BCEDRO C=CCNC(=O)Cn1cc([C@@H]([NH3+])CCC)nn1 ZINC000630609802 364340398 /nfs/dbraw/zinc/34/03/98/364340398.db2.gz DVWCXMZHCSVWCM-VIFPVBQESA-N 1 0 237.307 0.380 20 30 BCEDRO C=CCn1cc([C@H]([NH3+])C2CCOCC2)nn1 ZINC000630588146 364296138 /nfs/dbraw/zinc/29/61/38/364296138.db2.gz DFLWYGIMRHWSFA-LLVKDONJSA-N 1 0 222.292 0.891 20 30 BCEDRO CCN(CCC#N)C(=O)C[NH+]1CCCC1 ZINC000076425921 364391079 /nfs/dbraw/zinc/39/10/79/364391079.db2.gz PBWVPAXJJINMLP-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO C=CCCS(=O)(=O)NCC[NH+](C)C ZINC000136434995 364471659 /nfs/dbraw/zinc/47/16/59/364471659.db2.gz GVOXQHHVNKTKIZ-UHFFFAOYSA-N 1 0 206.311 0.044 20 30 BCEDRO C[C@H]1C[C@H](O)C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000357014397 366854865 /nfs/dbraw/zinc/85/48/65/366854865.db2.gz XXZUWXSXAXXBIJ-QWRGUYRKSA-N 1 0 239.319 0.204 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN(CC#N)C1CC1 ZINC000579549959 366863236 /nfs/dbraw/zinc/86/32/36/366863236.db2.gz SYNFVMSHXJYNPQ-LLVKDONJSA-N 1 0 211.309 0.287 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615202931 364624928 /nfs/dbraw/zinc/62/49/28/364624928.db2.gz GZVZPVYFGREPGT-QWHCGFSZSA-N 1 0 238.331 0.478 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615202930 364625065 /nfs/dbraw/zinc/62/50/65/364625065.db2.gz GZVZPVYFGREPGT-OLZOCXBDSA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615308149 364684548 /nfs/dbraw/zinc/68/45/48/364684548.db2.gz LJAWXSXXALUXEW-MNOVXSKESA-N 1 0 226.320 0.740 20 30 BCEDRO C#Cc1ccc(C[NH2+]CC(=O)N(C)C)cc1 ZINC000290190159 364702792 /nfs/dbraw/zinc/70/27/92/364702792.db2.gz CBSJKTQFAMKJSS-UHFFFAOYSA-N 1 0 216.284 0.846 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000615356826 364721759 /nfs/dbraw/zinc/72/17/59/364721759.db2.gz VLFITGYSLZGTOS-WCQYABFASA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCn1cc(CN[C@@H](C)C2C[NH2+]C2)nn1 ZINC000573316910 364796956 /nfs/dbraw/zinc/79/69/56/364796956.db2.gz NFRRBUBDLNSJID-VIFPVBQESA-N 1 0 221.308 0.162 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573506125 364851133 /nfs/dbraw/zinc/85/11/33/364851133.db2.gz GUBQILHBGFBODZ-IUCAKERBSA-N 1 0 210.281 0.149 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000573506124 364851509 /nfs/dbraw/zinc/85/15/09/364851509.db2.gz GUBQILHBGFBODZ-BDAKNGLRSA-N 1 0 210.281 0.149 20 30 BCEDRO CC(C)COC[C@H](O)C[NH2+]CCC#N ZINC000573557631 364860377 /nfs/dbraw/zinc/86/03/77/364860377.db2.gz GTSLBQMPULFXOW-SNVBAGLBSA-N 1 0 200.282 0.523 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000168219618 364884661 /nfs/dbraw/zinc/88/46/61/364884661.db2.gz WBVWELKJJFZCAZ-AEJSXWLSSA-N 1 0 226.320 0.426 20 30 BCEDRO COCCC[N@H+](C)CCNc1ncncc1C#N ZINC000573717152 364900582 /nfs/dbraw/zinc/90/05/82/364900582.db2.gz BDRKUYTYPXOTIM-UHFFFAOYSA-N 1 0 249.318 0.150 20 30 BCEDRO C=CCN1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC000573953575 364942524 /nfs/dbraw/zinc/94/25/24/364942524.db2.gz FMSQTRCOEBPLSG-GFCCVEGCSA-N 1 0 228.336 0.234 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@@H](O)COC ZINC000168710583 364991806 /nfs/dbraw/zinc/99/18/06/364991806.db2.gz USPCZLMEKRHIJN-SNVBAGLBSA-N 1 0 203.282 0.176 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C[C@H](O)COC ZINC000574193493 365008200 /nfs/dbraw/zinc/00/82/00/365008200.db2.gz XDHMQYLSIYAUOO-SDDRHHMPSA-N 1 0 229.320 0.565 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](C)C#N)CC1 ZINC000171846158 365247695 /nfs/dbraw/zinc/24/76/95/365247695.db2.gz BRALPQMEHUELNI-NSHDSACASA-N 1 0 233.315 0.607 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3ccnc(C#N)n3)[C@H]2C1 ZINC000575372869 365303418 /nfs/dbraw/zinc/30/34/18/365303418.db2.gz ZSBRKLIYSKWVNF-QWRGUYRKSA-N 1 0 243.314 0.879 20 30 BCEDRO CC[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000575377834 365305466 /nfs/dbraw/zinc/30/54/66/365305466.db2.gz NKAGTYQHKURMMM-FRRDWIJNSA-N 1 0 239.363 0.828 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCn2cncn2)C1 ZINC000336725316 365365249 /nfs/dbraw/zinc/36/52/49/365365249.db2.gz GDZJGUBPYVCYRK-NXEZZACHSA-N 1 0 205.265 0.560 20 30 BCEDRO CCCC[N@H+](CCOCCC#N)CC(N)=O ZINC000338910573 365441805 /nfs/dbraw/zinc/44/18/05/365441805.db2.gz AOEYVWGOSKHITL-UHFFFAOYSA-N 1 0 227.308 0.504 20 30 BCEDRO C[C@H]1C[N@H+](C)CCN1CCOCCC#N ZINC000338993701 365445076 /nfs/dbraw/zinc/44/50/76/365445076.db2.gz XTVLYZPRENOVDD-NSHDSACASA-N 1 0 211.309 0.553 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@H]1CCO ZINC000339098400 365448528 /nfs/dbraw/zinc/44/85/28/365448528.db2.gz CVLSAZMTKCROJE-NSHDSACASA-N 1 0 212.293 0.763 20 30 BCEDRO C[C@@H]1CC[N@H+](CCOCCC#N)[C@H]1CO ZINC000339113349 365449600 /nfs/dbraw/zinc/44/96/00/365449600.db2.gz CBQRTEZJRFCNBK-MNOVXSKESA-N 1 0 212.293 0.619 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CO)[C@@H](C)CCC ZINC000576044412 365461401 /nfs/dbraw/zinc/46/14/01/365461401.db2.gz SHSFHZXOHNDYEW-WDEREUQCSA-N 1 0 228.336 0.675 20 30 BCEDRO C[C@@H](CO)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000579593642 366897115 /nfs/dbraw/zinc/89/71/15/366897115.db2.gz YSBZKMBGTMDFPQ-VIFPVBQESA-N 1 0 245.286 0.414 20 30 BCEDRO C=CCN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000579609314 366907127 /nfs/dbraw/zinc/90/71/27/366907127.db2.gz UDQZSMXEBVMEMS-UHFFFAOYSA-N 1 0 212.337 0.997 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@]2(CO)CCOC2)cc1 ZINC000184186114 367067797 /nfs/dbraw/zinc/06/77/97/367067797.db2.gz GICCDUCAUJKLSJ-ZDUSSCGKSA-N 1 0 232.283 0.799 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000366369753 367069182 /nfs/dbraw/zinc/06/91/82/367069182.db2.gz PXFOINLOMFAILB-VHSXEESVSA-N 1 0 230.333 0.186 20 30 BCEDRO C=CCCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000366566173 367071527 /nfs/dbraw/zinc/07/15/27/367071527.db2.gz KIEUVHPBVZXSKL-IUCAKERBSA-N 1 0 200.257 0.769 20 30 BCEDRO C[C@@H](NC(=O)C1(C#N)CCCC1)[C@H](C)[NH3+] ZINC000580841168 367185736 /nfs/dbraw/zinc/18/57/36/367185736.db2.gz QRACXQFGVGDXJG-DTWKUNHWSA-N 1 0 209.293 0.922 20 30 BCEDRO C[C@H](CC#N)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000068609981 370821112 /nfs/dbraw/zinc/82/11/12/370821112.db2.gz HJLANRLAWANCIW-LLVKDONJSA-N 1 0 238.335 0.042 20 30 BCEDRO C[NH+](C)[C@@H](CNc1ncncc1C#N)C1CC1 ZINC000580889900 367198106 /nfs/dbraw/zinc/19/81/06/367198106.db2.gz UUWJGHVZTZDSQS-NSHDSACASA-N 1 0 231.303 0.522 20 30 BCEDRO C=CCN1CC[C@H](N(C)[C@@H](C)C[NH3+])C1=O ZINC000581251801 367309519 /nfs/dbraw/zinc/30/95/19/367309519.db2.gz QKKNDMSHQPENLA-UWVGGRQHSA-N 1 0 211.309 0.052 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCN(CCOC)C1)C(C)C ZINC000381791023 367458065 /nfs/dbraw/zinc/45/80/65/367458065.db2.gz ZVJICOKZKLAEFW-OLZOCXBDSA-N 1 0 224.348 0.955 20 30 BCEDRO C=C1CCN(C(=O)[C@]2(COC)CC[NH2+]C2)CC1 ZINC000382559443 367539991 /nfs/dbraw/zinc/53/99/91/367539991.db2.gz QGOLXQSLJQUVDO-CYBMUJFWSA-N 1 0 238.331 0.791 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000385681042 367854448 /nfs/dbraw/zinc/85/44/48/367854448.db2.gz NHHKCRCJZCBXAB-LLVKDONJSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000385681049 367855184 /nfs/dbraw/zinc/85/51/84/367855184.db2.gz NHHKCRCJZCBXAB-NSHDSACASA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](CO)[C@@H]1CC ZINC000385829176 367868879 /nfs/dbraw/zinc/86/88/79/367868879.db2.gz SXYRSRQDDPPPQY-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000615447889 367873553 /nfs/dbraw/zinc/87/35/53/367873553.db2.gz NEPPNJHTKPYNTB-ZYHUDNBSSA-N 1 0 238.331 0.476 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000615447886 367874074 /nfs/dbraw/zinc/87/40/74/367874074.db2.gz NEPPNJHTKPYNTB-CMPLNLGQSA-N 1 0 238.331 0.476 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)CCC(=O)OCC)C(C)C ZINC000385540222 367841663 /nfs/dbraw/zinc/84/16/63/367841663.db2.gz LKYKQFLQTUVVMS-VXGBXAGGSA-N 1 0 241.331 0.938 20 30 BCEDRO C=CCCCCCNC(=O)C(=O)NCCC[NH3+] ZINC000581895033 367885469 /nfs/dbraw/zinc/88/54/69/367885469.db2.gz PWODXQPWWQQGED-UHFFFAOYSA-N 1 0 241.335 0.314 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC(C[NH+](C)C)C1 ZINC000615507176 368082441 /nfs/dbraw/zinc/08/24/41/368082441.db2.gz ZQFXNXBHIWKETF-LBPRGKRZSA-N 1 0 226.320 0.334 20 30 BCEDRO C#CCCC[NH+]1CCN(C(=O)OC)CC1 ZINC000387448358 368195856 /nfs/dbraw/zinc/19/58/56/368195856.db2.gz UDYUHDLWXHDTKF-UHFFFAOYSA-N 1 0 210.277 0.784 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC000387477289 368227126 /nfs/dbraw/zinc/22/71/26/368227126.db2.gz UPPTYQWZMMQIFU-NWDGAFQWSA-N 1 0 231.336 0.955 20 30 BCEDRO C[C@@H](C(=O)N1CC[C@](F)(C#N)C1)[NH+](C)C ZINC000615823669 368458562 /nfs/dbraw/zinc/45/85/62/368458562.db2.gz VCHWWCJZHCGGDB-WPRPVWTQSA-N 1 0 213.256 0.401 20 30 BCEDRO C[NH+]1CCC(C(=O)N2CC[C@](F)(C#N)C2)CC1 ZINC000615824591 368459494 /nfs/dbraw/zinc/45/94/94/368459494.db2.gz BDLCLEBSMCWZIG-LBPRGKRZSA-N 1 0 239.294 0.792 20 30 BCEDRO C=CCNC(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000059909055 368534470 /nfs/dbraw/zinc/53/44/70/368534470.db2.gz GZRDGJUHBGMDBT-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccc(C#N)c1 ZINC000064615398 368608419 /nfs/dbraw/zinc/60/84/19/368608419.db2.gz SLKVOIORKVFXPT-UHFFFAOYSA-N 1 0 241.294 0.787 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)CC(C)C ZINC000065962489 368638023 /nfs/dbraw/zinc/63/80/23/368638023.db2.gz BVDLNSBYESUNFZ-UHFFFAOYSA-N 1 0 227.308 0.586 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1C(=O)N(CC)CC ZINC000067653481 368691997 /nfs/dbraw/zinc/69/19/97/368691997.db2.gz ANTWQRQHDYVWFS-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)C2CC2)CC1 ZINC000068064093 368712000 /nfs/dbraw/zinc/71/20/00/368712000.db2.gz HDMRBLQHDKMICS-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CC(C)C ZINC000068334621 368723013 /nfs/dbraw/zinc/72/30/13/368723013.db2.gz GJFZWNJWUACTOT-SNVBAGLBSA-N 1 0 241.335 0.975 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2cc[nH]n2)CC1 ZINC000068440571 368725849 /nfs/dbraw/zinc/72/58/49/368725849.db2.gz KTQCMRWDXDDNMK-UHFFFAOYSA-N 1 0 232.287 0.693 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000457397348 203055309 /nfs/dbraw/zinc/05/53/09/203055309.db2.gz CKVYISXWJXFUTO-LLVKDONJSA-N 1 0 241.335 0.318 20 30 BCEDRO C=CCNC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000457410265 203057263 /nfs/dbraw/zinc/05/72/63/203057263.db2.gz OHDYRAAWJGXCIT-NSHDSACASA-N 1 0 241.335 0.318 20 30 BCEDRO CCC[C@H](C#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000259754955 370939459 /nfs/dbraw/zinc/93/94/59/370939459.db2.gz FOTFBSIAAXKESG-ZJUUUORDSA-N 1 0 209.293 0.889 20 30 BCEDRO COCCN(CC#N)CC[NH+]1CCCCC1 ZINC000457349972 203041808 /nfs/dbraw/zinc/04/18/08/203041808.db2.gz OCMKENNRLNGKSZ-UHFFFAOYSA-N 1 0 225.336 0.944 20 30 BCEDRO COCCN(CC#N)CC[C@@H]1CCC[N@@H+]1C ZINC000457351180 203042408 /nfs/dbraw/zinc/04/24/08/203042408.db2.gz YTDDIXQIMSXZPY-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO Cc1cc(C(=O)NCC[NH+](C)C)ncc1C#N ZINC000457364773 203045556 /nfs/dbraw/zinc/04/55/56/203045556.db2.gz CRCLKSLGTNJGEW-UHFFFAOYSA-N 1 0 232.287 0.553 20 30 BCEDRO C=CCNC(NC[C@](C)(O)c1ccco1)=[NH+]C ZINC000072733313 368780045 /nfs/dbraw/zinc/78/00/45/368780045.db2.gz OFYUPOJOTVCFTA-LBPRGKRZSA-N 1 0 237.303 0.838 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000616004235 368873317 /nfs/dbraw/zinc/87/33/17/368873317.db2.gz WVZDUOCWFJAPKG-GFCCVEGCSA-N 1 0 238.331 0.666 20 30 BCEDRO CC[N@@H+]1CCN(c2cnc(C#N)cn2)C[C@H]1C ZINC000250189432 368881416 /nfs/dbraw/zinc/88/14/16/368881416.db2.gz ADAMGVBMOYHJPX-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C=C[C@H](O)C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000616153897 368987549 /nfs/dbraw/zinc/98/75/49/368987549.db2.gz KKZVCUDVQUVQFV-JTQLQIEISA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618195196 369084321 /nfs/dbraw/zinc/08/43/21/369084321.db2.gz ZHKKGDBZJUUOPL-NSHDSACASA-N 1 0 240.347 0.988 20 30 BCEDRO C[C@@H](CNC(=O)NCC(C)(C)C#N)[NH+](C)C ZINC000458647112 203185089 /nfs/dbraw/zinc/18/50/89/203185089.db2.gz KDOPDZQEBFEYSP-VIFPVBQESA-N 1 0 226.324 0.785 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000567598313 326225648 /nfs/dbraw/zinc/22/56/48/326225648.db2.gz BBOSDMJVZMMTFN-NWDGAFQWSA-N 1 0 239.363 0.609 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000567598314 326225769 /nfs/dbraw/zinc/22/57/69/326225769.db2.gz BBOSDMJVZMMTFN-RYUDHWBXSA-N 1 0 239.363 0.609 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@H](C)[NH+](C)C ZINC000459040780 203226924 /nfs/dbraw/zinc/22/69/24/203226924.db2.gz AHCJSOPNQHBKFO-JTQLQIEISA-N 1 0 211.309 0.601 20 30 BCEDRO C=CC[NH+](CC=C)CCN1C(=O)N[C@H](C)C1=O ZINC000459312333 203255881 /nfs/dbraw/zinc/25/58/81/203255881.db2.gz YUZSYXXXURZDFL-SNVBAGLBSA-N 1 0 237.303 0.601 20 30 BCEDRO C=C[C@H](C(=O)OC)N1C[C@H](O)C[C@H](C)C1 ZINC000401483760 369364741 /nfs/dbraw/zinc/36/47/41/369364741.db2.gz SIQFMAAFLGBAOB-IVZWLZJFSA-N 1 0 213.277 0.417 20 30 BCEDRO N#Cc1ccc(N2CC[NH+](CCCF)CC2)nn1 ZINC000402811771 369393100 /nfs/dbraw/zinc/39/31/00/369393100.db2.gz UYMSWWAMYSPONX-UHFFFAOYSA-N 1 0 249.293 0.830 20 30 BCEDRO N#Cc1cc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)ccn1 ZINC000405403337 369458255 /nfs/dbraw/zinc/45/82/55/369458255.db2.gz QYCJPFRZCROTTO-QWHCGFSZSA-N 1 0 244.298 0.208 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000619655524 369509013 /nfs/dbraw/zinc/50/90/13/369509013.db2.gz SVGZETNBBJUKQH-SKDRFNHKSA-N 1 0 244.298 0.567 20 30 BCEDRO CC[C@H](C)N(CC#CCOC)CC(=O)OC ZINC000619622186 369497297 /nfs/dbraw/zinc/49/72/97/369497297.db2.gz MSXSSNCFBOYPIW-NSHDSACASA-N 1 0 227.304 0.910 20 30 BCEDRO N#Cc1cncnc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000304466658 369517934 /nfs/dbraw/zinc/51/79/34/369517934.db2.gz FWCOGNRDBCEYPV-NXEZZACHSA-N 1 0 215.260 0.004 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000117872991 370980452 /nfs/dbraw/zinc/98/04/52/370980452.db2.gz LUWZHIKUJSWENR-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1CC ZINC000459801286 203372300 /nfs/dbraw/zinc/37/23/00/203372300.db2.gz KXDFNXMMIHSORK-MXWKQRLJSA-N 1 0 226.320 0.834 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1Cc1ccc(C#N)o1 ZINC000600769166 369563912 /nfs/dbraw/zinc/56/39/12/369563912.db2.gz PIYRSMRUYOOBBV-SECBINFHSA-N 1 0 205.261 0.945 20 30 BCEDRO N#Cc1cncnc1N1CCC[C@H]2C[NH2+]CC[C@H]21 ZINC000600885312 369571676 /nfs/dbraw/zinc/57/16/76/369571676.db2.gz QESOTADUGDHQMA-CMPLNLGQSA-N 1 0 243.314 0.927 20 30 BCEDRO Cc1cc(C#N)nc(N2CC([NH+]3CCCC3)C2)n1 ZINC000601193957 369604155 /nfs/dbraw/zinc/60/41/55/369604155.db2.gz STMUFDZMSNRGIH-UHFFFAOYSA-N 1 0 243.314 0.941 20 30 BCEDRO C=CCNC(=O)N1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000631000687 369606154 /nfs/dbraw/zinc/60/61/54/369606154.db2.gz IICNAIFNWHDIDG-TXEJJXNPSA-N 1 0 223.320 0.813 20 30 BCEDRO C=CCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631000938 369628397 /nfs/dbraw/zinc/62/83/97/369628397.db2.gz JYMYYCVOCOZRPX-MGCOHNPYSA-N 1 0 211.309 0.989 20 30 BCEDRO CC1(C)C[NH2+]CC[C@H](Nc2ccnc(C#N)n2)C1 ZINC000601983862 369731066 /nfs/dbraw/zinc/73/10/66/369731066.db2.gz PYHXUEPXCBNRJH-JTQLQIEISA-N 1 0 245.330 0.960 20 30 BCEDRO CC1(C)C[NH2+]CC[C@@H](Nc2ncncc2C#N)C1 ZINC000601985363 369731746 /nfs/dbraw/zinc/73/17/46/369731746.db2.gz UEOHNBRYQMYWPL-LLVKDONJSA-N 1 0 245.330 0.960 20 30 BCEDRO C[C@H](CNCc1cccc(C#N)n1)[NH+](C)C ZINC000602595137 369822492 /nfs/dbraw/zinc/82/24/92/369822492.db2.gz WPESEUGWHWZCQG-SNVBAGLBSA-N 1 0 218.304 0.993 20 30 BCEDRO Cc1n[nH]c(CC[NH2+]Cc2cccc(C#N)n2)n1 ZINC000602598512 369823752 /nfs/dbraw/zinc/82/37/52/369823752.db2.gz KGSWDWOXZKJMCD-UHFFFAOYSA-N 1 0 242.286 0.712 20 30 BCEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602629698 369830106 /nfs/dbraw/zinc/83/01/06/369830106.db2.gz ISNRGNYCNOXHIO-BXKDBHETSA-N 1 0 217.272 0.908 20 30 BCEDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602629701 369830664 /nfs/dbraw/zinc/83/06/64/369830664.db2.gz ISNRGNYCNOXHIO-JOYOIKCWSA-N 1 0 217.272 0.908 20 30 BCEDRO C[N@H+]1C[C@H]2CN(Cc3cccc(C#N)n3)C[C@H]2C1 ZINC000602638147 369832292 /nfs/dbraw/zinc/83/22/92/369832292.db2.gz CYVSEOBFBVQAOP-TXEJJXNPSA-N 1 0 242.326 0.947 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602655433 369835714 /nfs/dbraw/zinc/83/57/14/369835714.db2.gz KRTGOKXWNTZWIT-SKDRFNHKSA-N 1 0 244.298 0.567 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2CC[C@@H](C(N)=O)C2)n1 ZINC000602685325 369841524 /nfs/dbraw/zinc/84/15/24/369841524.db2.gz GCBAAZPXMBMAIP-ZJUUUORDSA-N 1 0 244.298 0.697 20 30 BCEDRO CC(C)(C[NH2+]Cc1cccc(C#N)n1)OCCO ZINC000602662051 369837359 /nfs/dbraw/zinc/83/73/59/369837359.db2.gz BXDBHZZTKNYTGA-UHFFFAOYSA-N 1 0 249.314 0.830 20 30 BCEDRO COC(=O)[C@@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602446019 369788622 /nfs/dbraw/zinc/78/86/22/369788622.db2.gz ZBJSXBTZZDXFSP-SNVBAGLBSA-N 1 0 245.282 0.948 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@H](CO)C2)n1 ZINC000602456071 369789557 /nfs/dbraw/zinc/78/95/57/369789557.db2.gz ZPRGQMOLTVMVAB-JTQLQIEISA-N 1 0 217.272 0.767 20 30 BCEDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)Cc1ccc(C#N)nc1 ZINC000602496688 369795859 /nfs/dbraw/zinc/79/58/59/369795859.db2.gz UOLOOOCAHUZCDX-RKDXNWHRSA-N 1 0 232.287 0.348 20 30 BCEDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000602900384 369862466 /nfs/dbraw/zinc/86/24/66/369862466.db2.gz UMFKWYKSELDCBH-STQMWFEESA-N 1 0 247.298 0.271 20 30 BCEDRO C[N@@H+]1CCN(Cc2ccnc(C#N)c2)[C@@H](CO)C1 ZINC000602903046 369863068 /nfs/dbraw/zinc/86/30/68/369863068.db2.gz APCJPVYHLDSDFP-CYBMUJFWSA-N 1 0 246.314 0.062 20 30 BCEDRO C[NH2+][C@H](C)c1cn(Cc2ccnc(C#N)c2)nn1 ZINC000603221223 369899424 /nfs/dbraw/zinc/89/94/24/369899424.db2.gz CBLBXJLSAMJMKD-SECBINFHSA-N 1 0 242.286 0.873 20 30 BCEDRO C[NH2+][C@@H](C)c1cn(Cc2ccnc(C#N)c2)nn1 ZINC000603221226 369899542 /nfs/dbraw/zinc/89/95/42/369899542.db2.gz CBLBXJLSAMJMKD-VIFPVBQESA-N 1 0 242.286 0.873 20 30 BCEDRO C=C[C@H](O)C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000620621550 369966672 /nfs/dbraw/zinc/96/66/72/369966672.db2.gz MPIBUBWYJCLBFV-JTQLQIEISA-N 1 0 228.336 0.770 20 30 BCEDRO C[N@@H+]1CC[C@H](Cn2cc([N+](=O)[O-])c(C#N)n2)C1 ZINC000603358319 369937841 /nfs/dbraw/zinc/93/78/41/369937841.db2.gz IIGRWBJPIZXAJH-QMMMGPOBSA-N 1 0 235.247 0.615 20 30 BCEDRO N#Cc1cccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000252408080 370020190 /nfs/dbraw/zinc/02/01/90/370020190.db2.gz IHTVVANRWLKDPA-GDNZZTSVSA-N 1 0 227.267 0.506 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621370207 370306595 /nfs/dbraw/zinc/30/65/95/370306595.db2.gz DRNYXLUUOVKOBI-NWDGAFQWSA-N 1 0 211.305 0.587 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNc1cc(C#N)ncn1 ZINC000310660315 370360939 /nfs/dbraw/zinc/36/09/39/370360939.db2.gz FQRNSWGBHGPGNU-LLVKDONJSA-N 1 0 246.318 0.006 20 30 BCEDRO Cc1nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)ccc1C#N ZINC000310382090 370342021 /nfs/dbraw/zinc/34/20/21/370342021.db2.gz PQYSBAHAUORXDC-VXGBXAGGSA-N 1 0 228.299 0.917 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[NH2+]C(C)(C)C ZINC000621877804 370576459 /nfs/dbraw/zinc/57/64/59/370576459.db2.gz QOMZZCOMTJAMKG-NSHDSACASA-N 1 0 214.309 0.428 20 30 BCEDRO C[C@@H](CC#N)[NH2+]CCCN1CCCC1=O ZINC000389993637 371185123 /nfs/dbraw/zinc/18/51/23/371185123.db2.gz PMEYHAAEUHXONQ-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000390804270 371235962 /nfs/dbraw/zinc/23/59/62/371235962.db2.gz WLZMJCCDRLIATE-BBBLOLIVSA-N 1 0 209.293 0.697 20 30 BCEDRO C=CCCC[C@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624086103 371297202 /nfs/dbraw/zinc/29/72/02/371297202.db2.gz VQNDDRKCSMDKDX-ZETCQYMHSA-N 1 0 222.296 0.275 20 30 BCEDRO CC#CCCN1C[C@@H](C)O[C@H](C(=O)OC)C1 ZINC000156075968 371353776 /nfs/dbraw/zinc/35/37/76/371353776.db2.gz YVFGJRZEVMARGF-MNOVXSKESA-N 1 0 225.288 0.662 20 30 BCEDRO N#Cc1nccc(NCC[N@H+]2CC=CCC2)n1 ZINC000392837648 371461072 /nfs/dbraw/zinc/46/10/72/371461072.db2.gz LPMBIZLMQQHOOE-UHFFFAOYSA-N 1 0 229.287 0.444 20 30 BCEDRO COCC[C@@H](C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000572981948 326422691 /nfs/dbraw/zinc/42/26/91/326422691.db2.gz GIFSUWKWYSBMFT-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO C=CC[C@H]1CCCC[C@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624384793 371496802 /nfs/dbraw/zinc/49/68/02/371496802.db2.gz DXIISAZEYIHOGN-DTWKUNHWSA-N 1 0 248.334 0.665 20 30 BCEDRO C=CC(C)(C)CCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000627411308 371606520 /nfs/dbraw/zinc/60/65/20/371606520.db2.gz CRNYJHQCGPHNQX-SECBINFHSA-N 1 0 241.335 0.168 20 30 BCEDRO COC[C@H](CO)[NH2+]CC(C)(C)CCC#N ZINC000229058735 372113189 /nfs/dbraw/zinc/11/31/89/372113189.db2.gz WKXBHWFDXKMLRT-JTQLQIEISA-N 1 0 214.309 0.913 20 30 BCEDRO C=CCCC(=O)NC[C@H](C)N1CC[NH+](C)CC1 ZINC000171132995 372348560 /nfs/dbraw/zinc/34/85/60/372348560.db2.gz VCNDNAGLNOJKBA-LBPRGKRZSA-N 1 0 239.363 0.705 20 30 BCEDRO C=CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000631638546 372475397 /nfs/dbraw/zinc/47/53/97/372475397.db2.gz FACYTCPIZDTGSU-UHFFFAOYSA-N 1 0 232.349 0.578 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCCCC[C@@H]([NH3+])C1 ZINC000631832406 372616752 /nfs/dbraw/zinc/61/67/52/372616752.db2.gz FKUJUNKRWFAJQP-VXGBXAGGSA-N 1 0 239.363 0.880 20 30 BCEDRO C=CCN(C)S(=O)(=O)CC1(N(C)C)CC1 ZINC000632239410 372820792 /nfs/dbraw/zinc/82/07/92/372820792.db2.gz OFQXMNKTKWGLSX-UHFFFAOYSA-N 1 0 232.349 0.528 20 30 BCEDRO C=C(C)CN(C)S(=O)(=O)CCC[NH+](C)C ZINC000632185621 372796783 /nfs/dbraw/zinc/79/67/83/372796783.db2.gz AXWGDEUSLBWMIW-UHFFFAOYSA-N 1 0 234.365 0.776 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000632369512 372902673 /nfs/dbraw/zinc/90/26/73/372902673.db2.gz PBVONWWPQOFPAA-GHMZBOCLSA-N 1 0 246.376 0.917 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000632446095 372950268 /nfs/dbraw/zinc/95/02/68/372950268.db2.gz WJMZCUSLJFHTKP-SDDRHHMPSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000632446094 372950496 /nfs/dbraw/zinc/95/04/96/372950496.db2.gz WJMZCUSLJFHTKP-GRYCIOLGSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000632861523 373197231 /nfs/dbraw/zinc/19/72/31/373197231.db2.gz SJVLZSMKQWKKQP-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO CC#CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633214310 373355993 /nfs/dbraw/zinc/35/59/93/373355993.db2.gz IEDWJGKLXXGSBP-UHFFFAOYSA-N 1 0 248.330 0.540 20 30 BCEDRO C#CCCN(C)[C@@H]1CCS(=O)(=O)C1 ZINC000070159540 374122476 /nfs/dbraw/zinc/12/24/76/374122476.db2.gz AWVDBEGTHMQAFI-SECBINFHSA-N 1 0 201.291 0.129 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)NCC1CCC1 ZINC000424088082 206029090 /nfs/dbraw/zinc/02/90/90/206029090.db2.gz IYETUAPSPCJBMF-SNVBAGLBSA-N 1 0 209.293 0.924 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C[N@@H+](C)CCC ZINC000456764841 206117513 /nfs/dbraw/zinc/11/75/13/206117513.db2.gz FYSALHCGOVZYRQ-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459701855 206138053 /nfs/dbraw/zinc/13/80/53/206138053.db2.gz QQHCGOSCMROCJT-SDDRHHMPSA-N 1 0 238.335 0.829 20 30 BCEDRO OC[C@@H]1C[C@H](O)C[N@@H+]1CC#Cc1ccccc1 ZINC000276909639 183129489 /nfs/dbraw/zinc/12/94/89/183129489.db2.gz FMJANJBTJIDTBS-KBPBESRZSA-N 1 0 231.295 0.466 20 30 BCEDRO C=C(C)CN(C)C(=O)NCC[N@@H+](C)CCOC ZINC000181009571 134332840 /nfs/dbraw/zinc/33/28/40/134332840.db2.gz WBPAINATQQGBRC-UHFFFAOYSA-N 1 0 243.351 0.782 20 30 BCEDRO C[C@@H]1CN(C)CCN1C(=O)C(C)(C)C#N ZINC000225228993 134352026 /nfs/dbraw/zinc/35/20/26/134352026.db2.gz CCKHTWHNSUOAPI-SECBINFHSA-N 1 0 209.293 0.699 20 30 BCEDRO C#CCCCC(=O)N1CCC[N@@H+](C)CC1 ZINC000112936832 533006094 /nfs/dbraw/zinc/00/60/94/533006094.db2.gz RUYRZZDAMYCZMV-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C#CCNC(=O)C[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000087973353 383824639 /nfs/dbraw/zinc/82/46/39/383824639.db2.gz YCXFWWTUXYHNOK-GHMZBOCLSA-N 1 0 208.305 0.762 20 30 BCEDRO CN(CC[NH+](C)C)c1cccc(C#N)n1 ZINC000081619700 383880743 /nfs/dbraw/zinc/88/07/43/383880743.db2.gz LONMDRMRWBUKRW-UHFFFAOYSA-N 1 0 204.277 0.951 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1C ZINC000070831293 383964098 /nfs/dbraw/zinc/96/40/98/383964098.db2.gz DKBIMKLAVDPFIZ-GARJFASQSA-N 1 0 208.305 0.903 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@H]1CCC=CO1 ZINC000278468655 384003707 /nfs/dbraw/zinc/00/37/07/384003707.db2.gz GTTWVDOAKRKADP-NSHDSACASA-N 1 0 245.344 0.870 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)Cc1cccc(C#N)c1 ZINC000289381046 384084667 /nfs/dbraw/zinc/08/46/67/384084667.db2.gz CHPPILUDUPGNOH-LLVKDONJSA-N 1 0 234.299 0.733 20 30 BCEDRO C#CCCN1CCN([C@H]2CCCCNC2=O)CC1 ZINC000363461564 384063139 /nfs/dbraw/zinc/06/31/39/384063139.db2.gz SPMVXKWQIGMHBM-ZDUSSCGKSA-N 1 0 249.358 0.296 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[NH2+][C@@H](C)C2)nn1 ZINC000648128876 384081402 /nfs/dbraw/zinc/08/14/02/384081402.db2.gz VYZYPYPNKGTUQM-VHSXEESVSA-N 1 0 249.318 0.334 20 30 BCEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1COC[C@H]1O ZINC000340283601 384147643 /nfs/dbraw/zinc/14/76/43/384147643.db2.gz LZDRHGQMPHDWCR-QWHCGFSZSA-N 1 0 232.283 0.750 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1oc(C)nc1C ZINC000293991896 384173263 /nfs/dbraw/zinc/17/32/63/384173263.db2.gz NZOOLIVYYMYCOJ-UHFFFAOYSA-N 1 0 249.314 0.976 20 30 BCEDRO Cc1n[nH]c(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000309838682 384186555 /nfs/dbraw/zinc/18/65/55/384186555.db2.gz CAKRVZVSXCBAQF-NXEZZACHSA-N 1 0 219.292 0.938 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)O ZINC000081747406 384199089 /nfs/dbraw/zinc/19/90/89/384199089.db2.gz XBIWFYYBVGWLPB-SECBINFHSA-N 1 0 214.309 0.380 20 30 BCEDRO C#CCC[NH+]1CCC(n2cncn2)CC1 ZINC000366238332 533048034 /nfs/dbraw/zinc/04/80/34/533048034.db2.gz ONUSNWPFZXIEPX-UHFFFAOYSA-N 1 0 204.277 0.938 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000069626840 384246440 /nfs/dbraw/zinc/24/64/40/384246440.db2.gz HUDMRRVTIVKKFA-WDEREUQCSA-N 1 0 225.336 0.348 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000069629749 384250276 /nfs/dbraw/zinc/25/02/76/384250276.db2.gz GMCFPYZLDQPEHT-MXWKQRLJSA-N 1 0 225.336 0.359 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H](C)CCC[NH3+])nn1 ZINC000648144613 384268219 /nfs/dbraw/zinc/26/82/19/384268219.db2.gz ZFWSKZXPGMPRAI-SECBINFHSA-N 1 0 237.307 0.321 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@](CC)(CO)C1 ZINC000187565080 384273622 /nfs/dbraw/zinc/27/36/22/384273622.db2.gz YDRQASRZMONFKD-ZDUSSCGKSA-N 1 0 240.347 0.773 20 30 BCEDRO C=CCCC[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000187743299 384307420 /nfs/dbraw/zinc/30/74/20/384307420.db2.gz BKOLFPCVPNMSFA-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO COC[C@](C)([NH3+])CNc1nc(C)cc(C#N)n1 ZINC000287482812 384307415 /nfs/dbraw/zinc/30/74/15/384307415.db2.gz XPEZTRVAUIOQME-LLVKDONJSA-N 1 0 235.291 0.432 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000035247633 384300868 /nfs/dbraw/zinc/30/08/68/384300868.db2.gz NBVCAOUGCXJGEQ-VWYCJHECSA-N 1 0 226.320 0.834 20 30 BCEDRO C=C(C)COCCNc1nc(C)nc(N)n1 ZINC000304512567 384344129 /nfs/dbraw/zinc/34/41/29/384344129.db2.gz RIBPTOCFNCPHMJ-UHFFFAOYSA-N 1 0 223.280 0.767 20 30 BCEDRO C[C@@H]1CN(c2nccnc2C#N)C[C@H](C)N1C ZINC000135265487 384364912 /nfs/dbraw/zinc/36/49/12/384364912.db2.gz NYYCRZDIVGRFSY-AOOOYVTPSA-N 1 0 231.303 0.877 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647268391 384445729 /nfs/dbraw/zinc/44/57/29/384445729.db2.gz AXJSYLIFWUILDY-WDEREUQCSA-N 1 0 246.376 0.952 20 30 BCEDRO CC(C)COC[C@@H](O)CN(C)CCC#N ZINC000175583276 384458302 /nfs/dbraw/zinc/45/83/02/384458302.db2.gz BLZNIKXIOCFIQS-NSHDSACASA-N 1 0 214.309 0.865 20 30 BCEDRO C#CCN(CC)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000490877324 384458549 /nfs/dbraw/zinc/45/85/49/384458549.db2.gz XJCVVAPFPQHEHV-NSHDSACASA-N 1 0 240.372 0.905 20 30 BCEDRO CN1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CC1=O ZINC000309099970 384498475 /nfs/dbraw/zinc/49/84/75/384498475.db2.gz GGPZQTFIEDARTN-KXUCPTDWSA-N 1 0 207.277 0.499 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000249509999 384505705 /nfs/dbraw/zinc/50/57/05/384505705.db2.gz ZPQZMIWPGGZNMK-GRYCIOLGSA-N 1 0 229.320 0.395 20 30 BCEDRO C[C@@H]1C[C@H](N(C)C(=O)CC#N)CC[N@@H+]1C ZINC000356817905 384492837 /nfs/dbraw/zinc/49/28/37/384492837.db2.gz GMZJRIKKSCCCHE-NXEZZACHSA-N 1 0 209.293 0.841 20 30 BCEDRO C=CCNC(=[NH2+])NCCCn1ccnc1 ZINC000161476767 384493759 /nfs/dbraw/zinc/49/37/59/384493759.db2.gz MXQPNCQGPMRLRB-UHFFFAOYSA-N 1 0 207.281 0.364 20 30 BCEDRO C=CCn1cc(C(=O)N(C)[C@H](C[NH3+])C2CC2)nn1 ZINC000648176946 384512650 /nfs/dbraw/zinc/51/26/50/384512650.db2.gz UZYOOJIWYJAQBR-LLVKDONJSA-N 1 0 249.318 0.273 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@@H](CO)C1 ZINC000363349606 384529596 /nfs/dbraw/zinc/52/95/96/384529596.db2.gz VYGYKRZODDLVDE-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309571447 384529893 /nfs/dbraw/zinc/52/98/93/384529893.db2.gz NSMMGWLTDIVQRA-VWYCJHECSA-N 1 0 219.292 0.948 20 30 BCEDRO C[C@H](CNc1cnc(C#N)cn1)[NH+](C)C ZINC000082713779 384552982 /nfs/dbraw/zinc/55/29/82/384552982.db2.gz YGOGQNLEAKQTTD-MRVPVSSYSA-N 1 0 205.265 0.710 20 30 BCEDRO CC[N@H+](C)CCNc1cnc(C#N)cn1 ZINC000082713797 384553591 /nfs/dbraw/zinc/55/35/91/384553591.db2.gz AEVPNQGEZNVLID-UHFFFAOYSA-N 1 0 205.265 0.712 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](O)C1 ZINC000299891207 384584505 /nfs/dbraw/zinc/58/45/05/384584505.db2.gz JZIQETCZGAWEOP-GARJFASQSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@H]3CC[NH2+][C@@H]3C2)C1=O ZINC000643064984 384587225 /nfs/dbraw/zinc/58/72/25/384587225.db2.gz MVIJPXQAELZGJB-UPJWGTAASA-N 1 0 249.358 0.457 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000643069927 384589074 /nfs/dbraw/zinc/58/90/74/384589074.db2.gz ZNMWCOVPVLLLQZ-SDDRHHMPSA-N 1 0 237.347 0.361 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491382170 384616004 /nfs/dbraw/zinc/61/60/04/384616004.db2.gz HSASIPVLDBYXHP-GHMZBOCLSA-N 1 0 235.331 0.886 20 30 BCEDRO N#Cc1cccc(CN2CCO[C@@H](C[NH3+])C2)c1 ZINC000165524101 384686570 /nfs/dbraw/zinc/68/65/70/384686570.db2.gz BDMRIKDQWIMJJQ-ZDUSSCGKSA-N 1 0 231.299 0.718 20 30 BCEDRO CC#CCC[N@@H+]1CCCN(C(C)=O)CC1 ZINC000155019195 384691292 /nfs/dbraw/zinc/69/12/92/384691292.db2.gz YDEMSBDWEBATGE-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CCC(=O)OCC ZINC000050067355 384694586 /nfs/dbraw/zinc/69/45/86/384694586.db2.gz YKPQMLNWWMOAJY-JTQLQIEISA-N 1 0 240.303 0.009 20 30 BCEDRO C[NH+](C)C1CN(c2nccnc2C#N)C1 ZINC000270921456 384716960 /nfs/dbraw/zinc/71/69/60/384716960.db2.gz WKVYXVNONAJEMD-UHFFFAOYSA-N 1 0 203.249 0.098 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@@H](O)CCOC(C)C ZINC000491805735 384773286 /nfs/dbraw/zinc/77/32/86/384773286.db2.gz PDUCUWQYSCOVQU-OLZOCXBDSA-N 1 0 241.331 0.496 20 30 BCEDRO CN1CC[C@H]([NH+]2CCC(CC#N)CC2)C1=O ZINC000335978585 384745857 /nfs/dbraw/zinc/74/58/57/384745857.db2.gz LJHOJFKTHNAOHL-NSHDSACASA-N 1 0 221.304 0.843 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC/C=C/C[NH3+] ZINC000644199063 384748050 /nfs/dbraw/zinc/74/80/50/384748050.db2.gz XOFJRKOTGMEBES-SEUFLZDSSA-N 1 0 239.319 0.392 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H](CO)C1 ZINC000491414553 384751574 /nfs/dbraw/zinc/75/15/74/384751574.db2.gz CZBWIGCAESLQMB-VXGBXAGGSA-N 1 0 238.331 0.267 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)[NH3+] ZINC000644198912 384753147 /nfs/dbraw/zinc/75/31/47/384753147.db2.gz CQDNXEOHJIRHTB-GUBZILKMSA-N 1 0 227.308 0.224 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000309982415 384758307 /nfs/dbraw/zinc/75/83/07/384758307.db2.gz WUHZYYNXMVOFMN-NEPJUHHUSA-N 1 0 228.336 0.234 20 30 BCEDRO N#CCN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000363638263 384763817 /nfs/dbraw/zinc/76/38/17/384763817.db2.gz QNCRNDUMENAKIS-NEPJUHHUSA-N 1 0 223.320 0.431 20 30 BCEDRO CC[N@H+](C)CCNC(=O)N[C@H]1CCC[C@H]1C#N ZINC000360082361 384771879 /nfs/dbraw/zinc/77/18/79/384771879.db2.gz KZWTURGTANAQTJ-QWRGUYRKSA-N 1 0 238.335 0.930 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@H](C)C[NH2+]C ZINC000491430664 384837900 /nfs/dbraw/zinc/83/79/00/384837900.db2.gz ZDNGYICREIBWAU-SNVBAGLBSA-N 1 0 211.309 0.507 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1ncc(C#N)cc1C ZINC000550714292 384784995 /nfs/dbraw/zinc/78/49/95/384784995.db2.gz XKXROQBKVSKBRB-UHFFFAOYSA-N 1 0 246.314 0.943 20 30 BCEDRO CN(CC[N@H+](C)C1CC1)c1nccc(C#N)n1 ZINC000294898145 384785641 /nfs/dbraw/zinc/78/56/41/384785641.db2.gz GWCVKQQYFPJVBZ-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000309734909 384785852 /nfs/dbraw/zinc/78/58/52/384785852.db2.gz CDDXWAWPXVLPRO-WZRBSPASSA-N 1 0 224.348 0.996 20 30 BCEDRO C#CCNC(=O)CC[N@H+](CCCC)CCCO ZINC000491068957 384799701 /nfs/dbraw/zinc/79/97/01/384799701.db2.gz SKJBHXOEKQRGFM-UHFFFAOYSA-N 1 0 240.347 0.610 20 30 BCEDRO C=CCCOCC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000648189410 384800196 /nfs/dbraw/zinc/80/01/96/384800196.db2.gz QJTRZNYIFSCJFZ-UWVGGRQHSA-N 1 0 214.309 0.821 20 30 BCEDRO Cc1ccc(NC[C@@](C)(O)C[NH+](C)C)nc1C#N ZINC000302628648 384806514 /nfs/dbraw/zinc/80/65/14/384806514.db2.gz IRJSAPOYFCMXMV-CYBMUJFWSA-N 1 0 248.330 0.986 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCc1cnn(C)c1 ZINC000104173228 384808084 /nfs/dbraw/zinc/80/80/84/384808084.db2.gz DQKHBOHYBQZRCL-UHFFFAOYSA-N 1 0 221.308 0.443 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cn1ccnc1C ZINC000297451272 384810575 /nfs/dbraw/zinc/81/05/75/384810575.db2.gz SMVMWWMQGDRIEF-UHFFFAOYSA-N 1 0 248.330 0.263 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1cncnc1OC ZINC000647199231 384875825 /nfs/dbraw/zinc/87/58/25/384875825.db2.gz SYTBYCSOGIBDBB-SNVBAGLBSA-N 1 0 237.303 0.759 20 30 BCEDRO C[C@]1(C(N)=O)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000361561890 384884533 /nfs/dbraw/zinc/88/45/33/384884533.db2.gz GWNYXHYPUDNAGJ-JQWIXIFHSA-N 1 0 234.303 0.627 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000646903292 384851229 /nfs/dbraw/zinc/85/12/29/384851229.db2.gz GUORJYKNSMJHQX-NWDGAFQWSA-N 1 0 240.347 0.627 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H]1CCCOC1 ZINC000491120252 384888809 /nfs/dbraw/zinc/88/88/09/384888809.db2.gz LZKSISWUTBVSRN-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)CC#CC ZINC000297577742 384853818 /nfs/dbraw/zinc/85/38/18/384853818.db2.gz TWRFJXBNBJASPM-UHFFFAOYSA-N 1 0 235.331 0.606 20 30 BCEDRO C=C(C)CN1CCC([NH2+]C[C@@H](C)O)CC1 ZINC000644549099 384949868 /nfs/dbraw/zinc/94/98/68/384949868.db2.gz RVACJKQDYJVYTR-LLVKDONJSA-N 1 0 212.337 0.997 20 30 BCEDRO CN1CC[NH+]=C1NCCNC(=O)OC(C)(C)C ZINC000497227797 384894248 /nfs/dbraw/zinc/89/42/48/384894248.db2.gz PESZDANZTZAUJJ-UHFFFAOYSA-N 1 0 242.323 0.402 20 30 BCEDRO C#CCN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000491453687 384898677 /nfs/dbraw/zinc/89/86/77/384898677.db2.gz SRRXBLPOYASIEK-UHFFFAOYSA-N 1 0 222.332 0.446 20 30 BCEDRO C#CCNC(NCc1ccoc1)=[NH+]CC ZINC000175472585 384914799 /nfs/dbraw/zinc/91/47/99/384914799.db2.gz PDIUCRDOULSXQG-UHFFFAOYSA-N 1 0 205.261 0.968 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H](C)[NH+](C)C ZINC000635996857 384941233 /nfs/dbraw/zinc/94/12/33/384941233.db2.gz JVIPKZUMRNEKAK-MXWKQRLJSA-N 1 0 226.320 0.786 20 30 BCEDRO COCC[NH+]1CCC(NCC2(C#N)CC2)CC1 ZINC000555710233 384972265 /nfs/dbraw/zinc/97/22/65/384972265.db2.gz YYJZUJQPPVVWOI-UHFFFAOYSA-N 1 0 237.347 0.991 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCOC[C@H]1OCC ZINC000339092333 384972187 /nfs/dbraw/zinc/97/21/87/384972187.db2.gz SILYUZDKGUMJQA-VXGBXAGGSA-N 1 0 229.320 0.973 20 30 BCEDRO C#CCSCCNc1cc[nH+]cc1C(N)=O ZINC000302207455 384972344 /nfs/dbraw/zinc/97/23/44/384972344.db2.gz FDUARPBTARTYEH-UHFFFAOYSA-N 1 0 235.312 0.959 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000245406460 384972511 /nfs/dbraw/zinc/97/25/11/384972511.db2.gz XKDVSEWMGPJAGU-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO Cn1ncc(C(=O)NCCCC[NH+](C)C)c1C#N ZINC000356091126 384972736 /nfs/dbraw/zinc/97/27/36/384972736.db2.gz HTFNIILTFIZSFK-UHFFFAOYSA-N 1 0 249.318 0.363 20 30 BCEDRO C=CCCOCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000644609206 385010097 /nfs/dbraw/zinc/01/00/97/385010097.db2.gz YNDRYXMNIKMSKB-SNVBAGLBSA-N 1 0 235.349 0.602 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@H](O)C(F)(F)F)cc1C#N ZINC000236072856 385023440 /nfs/dbraw/zinc/02/34/40/385023440.db2.gz RNSAQCPTKRCPAU-SECBINFHSA-N 1 0 247.220 0.910 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C(C)(C)C#N ZINC000293956919 533099529 /nfs/dbraw/zinc/09/95/29/533099529.db2.gz KQYBERAHHNURPD-UHFFFAOYSA-N 1 0 221.304 0.607 20 30 BCEDRO C#CC[NH+]1CCC(Nc2cccnn2)CC1 ZINC000105804852 385059522 /nfs/dbraw/zinc/05/95/22/385059522.db2.gz FQDDJANELQSYJW-UHFFFAOYSA-N 1 0 216.288 0.986 20 30 BCEDRO C#CCNC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000491514101 385071216 /nfs/dbraw/zinc/07/12/16/385071216.db2.gz GRXBLKBHHHRYNW-CYBMUJFWSA-N 1 0 235.331 0.747 20 30 BCEDRO Cn1ccc(CC[NH2+]Cc2cc(C#N)n(C)c2)n1 ZINC000236090981 385027189 /nfs/dbraw/zinc/02/71/89/385027189.db2.gz AOPDUTGDEBPEGP-UHFFFAOYSA-N 1 0 243.314 0.963 20 30 BCEDRO Cn1cc(C[NH2+]C2(CO)CCOCC2)cc1C#N ZINC000236111303 385030037 /nfs/dbraw/zinc/03/00/37/385030037.db2.gz WBMKWAKAVMEDIT-UHFFFAOYSA-N 1 0 249.314 0.528 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3nccnc3C#N)C[C@@H]21 ZINC000364308086 385030962 /nfs/dbraw/zinc/03/09/62/385030962.db2.gz OPNPWQGEYIGUII-PWSUYJOCSA-N 1 0 243.314 0.879 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)CC ZINC000293703078 533102168 /nfs/dbraw/zinc/10/21/68/533102168.db2.gz CZCGIEIUPUQLPJ-UHFFFAOYSA-N 1 0 211.309 0.603 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[C@@H](C[NH2+]C)C1 ZINC000226677436 385042229 /nfs/dbraw/zinc/04/22/29/385042229.db2.gz NKYNCBNACWRRLN-RYUDHWBXSA-N 1 0 239.363 0.609 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000647001215 385133782 /nfs/dbraw/zinc/13/37/82/385133782.db2.gz SADINTIJDGZHCQ-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2CCCOC2)nn1 ZINC000424291235 385139567 /nfs/dbraw/zinc/13/95/67/385139567.db2.gz DJBGCICRNUSYQZ-SNVBAGLBSA-N 1 0 222.292 0.733 20 30 BCEDRO C=CCn1cc(C[NH2+]C[C@H](O)CC)nn1 ZINC000644675525 385099386 /nfs/dbraw/zinc/09/93/86/385099386.db2.gz SOICAOHIVATSNC-SNVBAGLBSA-N 1 0 210.281 0.325 20 30 BCEDRO C[C@H](C#N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000530820503 385100013 /nfs/dbraw/zinc/10/00/13/385100013.db2.gz WVRFQXDNXMFHEP-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO CC#CCN(C)[C@@H](C)[C@H](C)S(C)(=O)=O ZINC000246599682 385194620 /nfs/dbraw/zinc/19/46/20/385194620.db2.gz GEKYRYIFVKKXRN-UWVGGRQHSA-N 1 0 217.334 0.763 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1COCC1(C)C ZINC000313025853 385196545 /nfs/dbraw/zinc/19/65/45/385196545.db2.gz RANZRDGBIMBNBM-ZJUUUORDSA-N 1 0 224.304 0.139 20 30 BCEDRO C#CCN1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000491615345 385158300 /nfs/dbraw/zinc/15/83/00/385158300.db2.gz CJVFPIBGBSZEDT-GFCCVEGCSA-N 1 0 222.332 0.805 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000491567549 385158426 /nfs/dbraw/zinc/15/84/26/385158426.db2.gz LWVZLOJDTYFLAL-GHMZBOCLSA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000491616828 385160081 /nfs/dbraw/zinc/16/00/81/385160081.db2.gz BWQSOZRXUINKTE-NEPJUHHUSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1c[nH]c(C#N)c1 ZINC000294068302 533107910 /nfs/dbraw/zinc/10/79/10/533107910.db2.gz VONCZEKZQYIALD-UHFFFAOYSA-N 1 0 244.298 0.571 20 30 BCEDRO C=CCCOCC(=O)N[C@@H](C)CCC[NH3+] ZINC000647064241 385210185 /nfs/dbraw/zinc/21/01/85/385210185.db2.gz OWZRZFSKJTVEPB-JTQLQIEISA-N 1 0 214.309 0.823 20 30 BCEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N(C)C[C@H](C)C#N ZINC000569337737 385218368 /nfs/dbraw/zinc/21/83/68/385218368.db2.gz RHOGBMWRIWLSBE-KXUCPTDWSA-N 1 0 226.324 0.913 20 30 BCEDRO C=CCOCC(=O)NC[C@@H]([NH3+])C(C)C ZINC000308860493 385222170 /nfs/dbraw/zinc/22/21/70/385222170.db2.gz VCFPUDRUNUUYFR-SECBINFHSA-N 1 0 200.282 0.289 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+]C2(C(N)=O)CC2)C1 ZINC000308851901 385224664 /nfs/dbraw/zinc/22/46/64/385224664.db2.gz CIORSXCJUYJWRF-IUCAKERBSA-N 1 0 207.277 0.676 20 30 BCEDRO N#CCCC[NH2+][C@@H](CO)C1CCOCC1 ZINC000308862092 385231450 /nfs/dbraw/zinc/23/14/50/385231450.db2.gz APQBNKCLFVPGNK-NSHDSACASA-N 1 0 212.293 0.667 20 30 BCEDRO C[C@@H](CNC(=O)C(C)(C)C#N)C[NH+](C)C ZINC000308881567 385236195 /nfs/dbraw/zinc/23/61/95/385236195.db2.gz FDJWJLOPHSMAKW-VIFPVBQESA-N 1 0 211.309 0.850 20 30 BCEDRO C#CC[N@@H+](C)CCCNc1nccn(CC)c1=O ZINC000292740184 533109689 /nfs/dbraw/zinc/10/96/89/533109689.db2.gz IURWZAJXMSQKRP-UHFFFAOYSA-N 1 0 248.330 0.630 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000308843688 385205349 /nfs/dbraw/zinc/20/53/49/385205349.db2.gz LBQUMHPHWQDHSX-OPRDCNLKSA-N 1 0 209.293 0.922 20 30 BCEDRO CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308947559 385309079 /nfs/dbraw/zinc/30/90/79/385309079.db2.gz OFERGFJKFQKZOZ-IVZWLZJFSA-N 1 0 209.293 0.793 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@]2(CO)CCOC2)C1 ZINC000308901593 385275085 /nfs/dbraw/zinc/27/50/85/385275085.db2.gz HGDLSTMJDPPOMI-GMTAPVOTSA-N 1 0 210.277 0.420 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1[nH]ncc1C ZINC000308907492 385283642 /nfs/dbraw/zinc/28/36/42/385283642.db2.gz CXZPATHLLMZGIX-SNVBAGLBSA-N 1 0 209.293 0.992 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccnc1F ZINC000491640318 385290132 /nfs/dbraw/zinc/29/01/32/385290132.db2.gz ZYOZWGNBDKQTPS-UHFFFAOYSA-N 1 0 235.262 0.450 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000491647776 385344458 /nfs/dbraw/zinc/34/44/58/385344458.db2.gz ZNGGCYACPAJRNZ-GHMZBOCLSA-N 1 0 223.320 0.840 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3nccnc3C#N)C[C@H]21 ZINC000364308088 385345718 /nfs/dbraw/zinc/34/57/18/385345718.db2.gz OPNPWQGEYIGUII-ZYHUDNBSSA-N 1 0 243.314 0.879 20 30 BCEDRO CC(C)NC(=O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309018616 385372727 /nfs/dbraw/zinc/37/27/27/385372727.db2.gz VRDRCKKJYPLDNI-NXEZZACHSA-N 1 0 209.293 0.793 20 30 BCEDRO C=CC[NH2+][C@@H](C(=O)N1CCOCC1)C(C)C ZINC000180065295 385383639 /nfs/dbraw/zinc/38/36/39/385383639.db2.gz MNRAMFZQJDIUQM-LLVKDONJSA-N 1 0 226.320 0.645 20 30 BCEDRO COC[C@H](C[NH2+][C@H]1CC[C@H](C#N)C1)OC ZINC000308971212 385327450 /nfs/dbraw/zinc/32/74/50/385327450.db2.gz ZOQXCGIQSLUYDN-DCAQKATOSA-N 1 0 212.293 0.930 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000644076248 385421586 /nfs/dbraw/zinc/42/15/86/385421586.db2.gz OZXKMKBVCKVFBX-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1nc(C)cs1 ZINC000170909524 385454469 /nfs/dbraw/zinc/45/44/69/385454469.db2.gz GNXHFHCAQCRKIY-SSDOTTSWSA-N 1 0 242.348 0.891 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCN1CCOC1=O ZINC000170914538 385456730 /nfs/dbraw/zinc/45/67/30/385456730.db2.gz PHLABEVAHFAFJO-UHFFFAOYSA-N 1 0 240.307 0.309 20 30 BCEDRO CN(C)C(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000170913728 385456867 /nfs/dbraw/zinc/45/68/67/385456867.db2.gz OMQJZWOMRRWVFK-UHFFFAOYSA-N 1 0 220.276 0.162 20 30 BCEDRO CCN(C)CCNC(=[NH2+])Nc1ccccn1 ZINC000170911954 385456935 /nfs/dbraw/zinc/45/69/35/385456935.db2.gz PHGCCEUWAHLWCP-UHFFFAOYSA-N 1 0 221.308 0.760 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)NCCC[NH2+]CC ZINC000491669918 385427855 /nfs/dbraw/zinc/42/78/55/385427855.db2.gz VCSXTBXHUYVBBH-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](OC)C[C@H]1C ZINC000491670797 385429391 /nfs/dbraw/zinc/42/93/91/385429391.db2.gz FBSDTCQBUCLUIE-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000182270199 385435389 /nfs/dbraw/zinc/43/53/89/385435389.db2.gz STWJQWUCRYTUOB-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000644104239 385477724 /nfs/dbraw/zinc/47/77/24/385477724.db2.gz FDGLBGIDWONFBY-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC(C)(C)C(=O)NC ZINC000157375840 385497890 /nfs/dbraw/zinc/49/78/90/385497890.db2.gz KJKPTPVJCTUXCN-UHFFFAOYSA-N 1 0 226.324 0.239 20 30 BCEDRO C#CCN(CC#N)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000377021906 533127098 /nfs/dbraw/zinc/12/70/98/533127098.db2.gz XBHRVAJBYCYAMH-KGLIPLIRSA-N 1 0 246.358 0.919 20 30 BCEDRO CCCCNC(=O)CN1CC[C@](O)(CC#N)C1 ZINC000592146547 385567961 /nfs/dbraw/zinc/56/79/61/385567961.db2.gz CSQZHLNXJOVXDV-GFCCVEGCSA-N 1 0 239.319 0.253 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N2CC(C#N)C2)C1 ZINC000594365235 385600529 /nfs/dbraw/zinc/60/05/29/385600529.db2.gz ZLJOZHBAALNTAF-SECBINFHSA-N 1 0 207.277 0.310 20 30 BCEDRO COC(=O)C[C@@]1([NH2+]CCCC#N)CCOC1 ZINC000309446620 385586721 /nfs/dbraw/zinc/58/67/21/385586721.db2.gz JYDSXKKLLZXMED-NSHDSACASA-N 1 0 226.276 0.602 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000309455327 385588034 /nfs/dbraw/zinc/58/80/34/385588034.db2.gz MGNORVPWGWSUMW-WDEREUQCSA-N 1 0 228.336 0.816 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@]12CCNC2=O ZINC000593996760 385592915 /nfs/dbraw/zinc/59/29/15/385592915.db2.gz RFEPAXNLOWQFRW-GFCCVEGCSA-N 1 0 237.303 0.271 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644821149 385629169 /nfs/dbraw/zinc/62/91/69/385629169.db2.gz IIHGDHKKEYKAOB-QWRGUYRKSA-N 1 0 224.304 0.352 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@]2(CO)CCOC2)s1 ZINC000184192846 385637833 /nfs/dbraw/zinc/63/78/33/385637833.db2.gz AOTVFORYBNUORY-LLVKDONJSA-N 1 0 238.312 0.861 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCCn2ccnc2)C1 ZINC000263252131 385653585 /nfs/dbraw/zinc/65/35/85/385653585.db2.gz PHJDLCNRGLZVTH-NSHDSACASA-N 1 0 235.335 0.930 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CO[C@H](C)COC)C(C)C ZINC000302463648 385656404 /nfs/dbraw/zinc/65/64/04/385656404.db2.gz YSLUBWPPUQJWRR-AGIUHOORSA-N 1 0 243.347 0.646 20 30 BCEDRO C=CCNC(=O)NCCNc1cc[nH+]cc1 ZINC000309539599 385673649 /nfs/dbraw/zinc/67/36/49/385673649.db2.gz DNILWICKEJVZGQ-UHFFFAOYSA-N 1 0 220.276 0.979 20 30 BCEDRO CC#CC[N@H+](C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000645262407 385680555 /nfs/dbraw/zinc/68/05/55/385680555.db2.gz MZPNPPUOYKOKIN-LLVKDONJSA-N 1 0 229.345 0.766 20 30 BCEDRO CC#CC[N@H+](C)CC[C@H]1CCS(=O)(=O)C1 ZINC000645262408 385681265 /nfs/dbraw/zinc/68/12/65/385681265.db2.gz MZPNPPUOYKOKIN-NSHDSACASA-N 1 0 229.345 0.766 20 30 BCEDRO C#CCNC(NC[C@H]1CCC[C@@H]1O)=[NH+]CC ZINC000262796641 533142777 /nfs/dbraw/zinc/14/27/77/533142777.db2.gz PTFKRZKHMPSLNK-MNOVXSKESA-N 1 0 223.320 0.336 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000309549541 385682113 /nfs/dbraw/zinc/68/21/13/385682113.db2.gz HSBYJLQCZATDHE-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO C#CCNC(NC[C@H](O)C1CCCCC1)=[NH+]C ZINC000262764822 533140616 /nfs/dbraw/zinc/14/06/16/533140616.db2.gz FTGUEVHQJQIUPD-LBPRGKRZSA-N 1 0 237.347 0.726 20 30 BCEDRO C#CCNC(N[C@@H]1C[C@H](OC)C1(C)C)=[NH+]CC ZINC000261895683 533142695 /nfs/dbraw/zinc/14/26/95/533142695.db2.gz XYROTOKZQHRQDH-MNOVXSKESA-N 1 0 237.347 0.988 20 30 BCEDRO C#CCNC(=[NH+]C)N1CC[C@]2(CCOC2)C1 ZINC000261957637 533141296 /nfs/dbraw/zinc/14/12/96/533141296.db2.gz JFPQNAGQIBFKLU-LBPRGKRZSA-N 1 0 221.304 0.307 20 30 BCEDRO N#CCCC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000184790391 385711573 /nfs/dbraw/zinc/71/15/73/385711573.db2.gz GGLRVEKXSOJYOD-ZJUUUORDSA-N 1 0 209.293 0.924 20 30 BCEDRO C#CCNC(=[NH+]CC)N(C)Cc1ccon1 ZINC000261815443 533141532 /nfs/dbraw/zinc/14/15/32/533141532.db2.gz TWUMHOMIEJDTDY-UHFFFAOYSA-N 1 0 220.276 0.705 20 30 BCEDRO CC[C@@H](C)NC(NCC(=O)NC1CC1)=[NH+]C ZINC000263270608 385667831 /nfs/dbraw/zinc/66/78/31/385667831.db2.gz WSPTVNJTIOUSMZ-MRVPVSSYSA-N 1 0 226.324 0.229 20 30 BCEDRO C#CCNC(NC[C@H]1CCOC1)=[NH+]CC ZINC000262651545 533142133 /nfs/dbraw/zinc/14/21/33/533142133.db2.gz VEBVCOCQBPXXOE-SNVBAGLBSA-N 1 0 209.293 0.211 20 30 BCEDRO CS(=O)(=O)NCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000336693556 385737826 /nfs/dbraw/zinc/73/78/26/385737826.db2.gz LGIWCDQZKZQHQB-ZJUUUORDSA-N 1 0 245.348 0.208 20 30 BCEDRO C#CCNC(N[C@@H]1C[C@H](OC)C1(C)C)=[NH+]C ZINC000261615326 533143111 /nfs/dbraw/zinc/14/31/11/533143111.db2.gz AQRGEIZMMFADLW-ZJUUUORDSA-N 1 0 223.320 0.598 20 30 BCEDRO CC#CCC[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000185026652 385721695 /nfs/dbraw/zinc/72/16/95/385721695.db2.gz GEBMDMUTLUXHSR-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CCC[C@@H]1C#N ZINC000602597359 385809855 /nfs/dbraw/zinc/80/98/55/385809855.db2.gz BDUSNMZDZFZISW-VWYCJHECSA-N 1 0 237.303 0.125 20 30 BCEDRO CC[NH+]1CCN(c2nccc(C#N)n2)CC1 ZINC000231896232 385857176 /nfs/dbraw/zinc/85/71/76/385857176.db2.gz FLAPGGGCFAOPSK-UHFFFAOYSA-N 1 0 217.276 0.490 20 30 BCEDRO C[N@H+](CCN1CCOCC1)CC1(CC#N)CC1 ZINC000602772421 385820042 /nfs/dbraw/zinc/82/00/42/385820042.db2.gz IWYGONVAQAGINZ-UHFFFAOYSA-N 1 0 237.347 0.944 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CN(C)C(=O)O1 ZINC000496022040 385826949 /nfs/dbraw/zinc/82/69/49/385826949.db2.gz OVQMQUABDZLLDL-AXFHLTTASA-N 1 0 240.303 0.760 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc([C@@H]([NH3+])CC)nn1 ZINC000603233677 385845870 /nfs/dbraw/zinc/84/58/70/385845870.db2.gz JSXQJZQRORDXMH-CBAPKCEASA-N 1 0 224.264 0.588 20 30 BCEDRO Cc1cc(C#N)nc(N2CCC[N@@H+](C)CC2)n1 ZINC000231896418 385851314 /nfs/dbraw/zinc/85/13/14/385851314.db2.gz OOQGACQZVZBLHD-UHFFFAOYSA-N 1 0 231.303 0.799 20 30 BCEDRO CC#CC(=O)Nc1ccnn1CC[NH+](C)C ZINC000294027675 385789106 /nfs/dbraw/zinc/78/91/06/385789106.db2.gz JUEJAIXPFXLYKW-UHFFFAOYSA-N 1 0 220.276 0.407 20 30 BCEDRO N#CC1(C(=O)N[C@H](CC[NH3+])C(F)F)CCC1 ZINC000602495838 385794776 /nfs/dbraw/zinc/79/47/76/385794776.db2.gz NUSPRWNIQIKLAF-SSDOTTSWSA-N 1 0 231.246 0.779 20 30 BCEDRO N#Cc1cccc(CN2CC[C@@H](NC(N)=O)C2)n1 ZINC000602494882 385795036 /nfs/dbraw/zinc/79/50/36/385795036.db2.gz QFGBHBRTSJONKV-LLVKDONJSA-N 1 0 245.286 0.196 20 30 BCEDRO C[C@@H]([NH2+]CC(N)=O)c1ccc(C#N)cc1 ZINC000022215170 385899036 /nfs/dbraw/zinc/89/90/36/385899036.db2.gz RWYVHAZVDOHHEY-MRVPVSSYSA-N 1 0 203.245 0.694 20 30 BCEDRO N#CCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000123835796 385914397 /nfs/dbraw/zinc/91/43/97/385914397.db2.gz CSWVFSRAKZAWES-JTQLQIEISA-N 1 0 207.277 0.501 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@@H](C[NH3+])C2)C1=O ZINC000647830504 385873037 /nfs/dbraw/zinc/87/30/37/385873037.db2.gz LZYGGTXMJUOZGG-WDEREUQCSA-N 1 0 223.320 0.054 20 30 BCEDRO C[C@](O)(CNC(=[NH2+])NC1CC1)c1ccco1 ZINC000262685747 385874409 /nfs/dbraw/zinc/87/44/09/385874409.db2.gz UWUYAZLVJYPSSM-NSHDSACASA-N 1 0 223.276 0.554 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[N@@H+]1CCC12CCC2 ZINC000414142643 385989367 /nfs/dbraw/zinc/98/93/67/385989367.db2.gz IHVUWTCHFYUGCI-GFCCVEGCSA-N 1 0 237.347 0.821 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[N@@H+]1CCC12CCC2 ZINC000414142645 385989475 /nfs/dbraw/zinc/98/94/75/385989475.db2.gz IHVUWTCHFYUGCI-LBPRGKRZSA-N 1 0 237.347 0.821 20 30 BCEDRO C#CC[N@H+]1CCCC[C@H]1[C@@H]1CNC(=O)C1 ZINC000372853885 533153609 /nfs/dbraw/zinc/15/36/09/533153609.db2.gz BTLYCBUXXBHZDV-QWRGUYRKSA-N 1 0 206.289 0.610 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[N@@H+]1CC[C@H]1C1CC1 ZINC000414143288 385993071 /nfs/dbraw/zinc/99/30/71/385993071.db2.gz LJIXMEYMNSEGAF-STQMWFEESA-N 1 0 237.347 0.677 20 30 BCEDRO C#CCN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000304714373 533154281 /nfs/dbraw/zinc/15/42/81/533154281.db2.gz MRMCGYOLKJMPSA-CHWSQXEVSA-N 1 0 222.332 0.541 20 30 BCEDRO CCCN(CCNC(N)=[NH2+])C(=O)OC(C)(C)C ZINC000305241344 385972588 /nfs/dbraw/zinc/97/25/88/385972588.db2.gz ABIWHKLKIHTJPZ-UHFFFAOYSA-N 1 0 244.339 0.907 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1C[C@H](O)c1cnn(C)c1 ZINC000371458903 533155264 /nfs/dbraw/zinc/15/52/64/533155264.db2.gz MSUNNIAHMVWDHZ-OLZOCXBDSA-N 1 0 233.315 0.941 20 30 BCEDRO CC#CCN1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000189427390 386001776 /nfs/dbraw/zinc/00/17/76/386001776.db2.gz OCJVUXYHWXDYCU-LBPRGKRZSA-N 1 0 224.348 0.787 20 30 BCEDRO CC[C@@H](C#N)NC(=O)C[N@H+](CC)C1CC1 ZINC000345143150 386008934 /nfs/dbraw/zinc/00/89/34/386008934.db2.gz AJZCEDAGTDHXDD-VIFPVBQESA-N 1 0 209.293 0.889 20 30 BCEDRO CC(C)(C[NH3+])NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000335063283 386031581 /nfs/dbraw/zinc/03/15/81/386031581.db2.gz RDRCQMWZACOEMK-DTWKUNHWSA-N 1 0 224.308 0.715 20 30 BCEDRO CNC(=O)CC[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000234405176 386060391 /nfs/dbraw/zinc/06/03/91/386060391.db2.gz ICJVAWSMWSIFCH-UHFFFAOYSA-N 1 0 247.298 0.793 20 30 BCEDRO N#CCCCC[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000408401905 386205556 /nfs/dbraw/zinc/20/55/56/386205556.db2.gz IUONRRIXMAKCJO-LBPRGKRZSA-N 1 0 221.304 0.892 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)Cc1ccccn1 ZINC000295142967 533162254 /nfs/dbraw/zinc/16/22/54/533162254.db2.gz LGFCRVDQFANUAJ-UHFFFAOYSA-N 1 0 231.299 0.653 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000424933544 386225188 /nfs/dbraw/zinc/22/51/88/386225188.db2.gz QUKGYKXDHNBWII-SRVKXCTJSA-N 1 0 238.331 0.788 20 30 BCEDRO CO[C@@H]1CCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347045910 386229588 /nfs/dbraw/zinc/22/95/88/386229588.db2.gz GSUPVUGDKNRTTP-SNVBAGLBSA-N 1 0 237.303 0.270 20 30 BCEDRO CCCC[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC000347119135 386234272 /nfs/dbraw/zinc/23/42/72/386234272.db2.gz WHXROFOLKTWSNS-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@](C)(CO)C(C)C ZINC000393957304 386237752 /nfs/dbraw/zinc/23/77/52/386237752.db2.gz YBUKDYSVCRWQAA-GFCCVEGCSA-N 1 0 226.320 0.123 20 30 BCEDRO C[C@H](C#N)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000347099596 386249233 /nfs/dbraw/zinc/24/92/33/386249233.db2.gz DVLGDJCEQYPAEC-SNVBAGLBSA-N 1 0 239.319 0.373 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(C#N)CCC1 ZINC000416350981 386286549 /nfs/dbraw/zinc/28/65/49/386286549.db2.gz LCYDVQJONWHVMN-MNOVXSKESA-N 1 0 235.331 0.994 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000416457495 386310744 /nfs/dbraw/zinc/31/07/44/386310744.db2.gz OHPSWOKHWSHUTE-AEJSXWLSSA-N 1 0 245.348 0.301 20 30 BCEDRO N#CCSCCC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347310244 386350544 /nfs/dbraw/zinc/35/05/44/386350544.db2.gz MCBBJBLIEWKEKP-PHIMTYICSA-N 1 0 244.360 0.451 20 30 BCEDRO CNC(=S)NN=C1C[C@@H](C)N(C)C1 ZINC000308254209 386362574 /nfs/dbraw/zinc/36/25/74/386362574.db2.gz HYZISPAJYCYAFL-ZCFIWIBFSA-N 1 0 200.311 0.160 20 30 BCEDRO O=C(NCC#Cc1ccccc1)N[C@@H]1CC[NH2+]C1 ZINC000416939804 386425137 /nfs/dbraw/zinc/42/51/37/386425137.db2.gz DJANXZUWVPYBJR-CYBMUJFWSA-N 1 0 243.310 0.699 20 30 BCEDRO CC#CC[C@H](CO)Nc1ncnc(N)c1Cl ZINC000645405489 386467499 /nfs/dbraw/zinc/46/74/99/386467499.db2.gz AZZKWNSSHADVOV-SSDOTTSWSA-N 1 0 240.694 0.898 20 30 BCEDRO C=CCSCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417341752 386482557 /nfs/dbraw/zinc/48/25/57/386482557.db2.gz LQDKGDOFDXJBBG-SNVBAGLBSA-N 1 0 243.376 0.957 20 30 BCEDRO C=C(C)CS(=O)(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000192002041 386482862 /nfs/dbraw/zinc/48/28/62/386482862.db2.gz CDCSJVWPGHUIFN-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCSCCNC(=O)NC[C@H]([NH3+])CC ZINC000417342566 386483524 /nfs/dbraw/zinc/48/35/24/386483524.db2.gz MQNYTOABHNLWJL-SECBINFHSA-N 1 0 231.365 0.942 20 30 BCEDRO C=CCSCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417345693 386485696 /nfs/dbraw/zinc/48/56/96/386485696.db2.gz SGDKURRARWPPBN-JTQLQIEISA-N 1 0 243.376 0.942 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1ncnn1CC ZINC000320782921 386489092 /nfs/dbraw/zinc/48/90/92/386489092.db2.gz RSMHNNXHWJQJRI-JTQLQIEISA-N 1 0 224.308 0.715 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1nccn1C ZINC000320786699 386490089 /nfs/dbraw/zinc/49/00/89/386490089.db2.gz SJCHEQBHHYDVLS-JTQLQIEISA-N 1 0 209.293 0.837 20 30 BCEDRO C=CCCn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000335454992 386530474 /nfs/dbraw/zinc/53/04/74/386530474.db2.gz KUXUJOJSLMOZGW-UHFFFAOYSA-N 1 0 219.288 0.508 20 30 BCEDRO CCNC(=O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000035141925 386463380 /nfs/dbraw/zinc/46/33/80/386463380.db2.gz VHZPWDFXGOSIDY-UHFFFAOYSA-N 1 0 217.272 0.784 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2nc(C)no2)CC1 ZINC000098093631 386579056 /nfs/dbraw/zinc/57/90/56/386579056.db2.gz ZIEZLVONLPYJGG-UHFFFAOYSA-N 1 0 248.286 0.662 20 30 BCEDRO C[NH+](C)C1CN(c2nccc(C#N)n2)C1 ZINC000294489611 386558994 /nfs/dbraw/zinc/55/89/94/386558994.db2.gz YGDDQYFNYCVACV-UHFFFAOYSA-N 1 0 203.249 0.098 20 30 BCEDRO N#CCc1cccc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000519830139 386565432 /nfs/dbraw/zinc/56/54/32/386565432.db2.gz UMNGDCLJACFJNV-ITGUQSILSA-N 1 0 241.294 0.700 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000187650661 386566870 /nfs/dbraw/zinc/56/68/70/386566870.db2.gz DYOKWLHEOUBAIP-CHWSQXEVSA-N 1 0 242.363 0.312 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000123808860 386572185 /nfs/dbraw/zinc/57/21/85/386572185.db2.gz UNXZHPMFVQXBEP-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO Cc1cc(NCCCCO)c(C#N)cn1 ZINC000399285979 386624526 /nfs/dbraw/zinc/62/45/26/386624526.db2.gz ZBFLUATYIAHAGS-UHFFFAOYSA-N 1 0 205.261 0.868 20 30 BCEDRO COCC#CCN1CC[N@H+](C)C[C@@H]1C(C)C ZINC000644937591 386627284 /nfs/dbraw/zinc/62/72/84/386627284.db2.gz DDHOKMBMHROQHG-CYBMUJFWSA-N 1 0 224.348 0.908 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](O)(CC)C1 ZINC000425923158 386632705 /nfs/dbraw/zinc/63/27/05/386632705.db2.gz SLANZNVXBMDPNO-CMPLNLGQSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000644947804 386634491 /nfs/dbraw/zinc/63/44/91/386634491.db2.gz NLMHIQXSGKWZTM-VXGBXAGGSA-N 1 0 236.319 0.852 20 30 BCEDRO C[C@@H](O)C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000408440670 386638129 /nfs/dbraw/zinc/63/81/29/386638129.db2.gz FFXJHQSDONAJLV-LLVKDONJSA-N 1 0 223.320 0.289 20 30 BCEDRO C=CCOCC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000428124024 386663781 /nfs/dbraw/zinc/66/37/81/386663781.db2.gz XUXJOCKZTTVZKW-QWRGUYRKSA-N 1 0 226.320 0.917 20 30 BCEDRO C=C(C)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000428125551 386665282 /nfs/dbraw/zinc/66/52/82/386665282.db2.gz MNKOXPLPYWJWQO-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCN(CCOC)C1 ZINC000320648408 386672704 /nfs/dbraw/zinc/67/27/04/386672704.db2.gz OKVOYOYRLBRZGV-QWHCGFSZSA-N 1 0 242.363 0.624 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@](C)(COC)C1 ZINC000647907985 386710103 /nfs/dbraw/zinc/71/01/03/386710103.db2.gz IMLKIFBTHKKNIP-GFCCVEGCSA-N 1 0 211.305 0.995 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+]C(C)(C)C(C)(C)O)C1=O ZINC000330405800 386704005 /nfs/dbraw/zinc/70/40/05/386704005.db2.gz WHPOIDVNBBBOII-SNVBAGLBSA-N 1 0 240.347 0.912 20 30 BCEDRO CCn1nncc1C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000330457452 386718488 /nfs/dbraw/zinc/71/84/88/386718488.db2.gz QFLLKYZFQBWHED-VIFPVBQESA-N 1 0 237.307 0.554 20 30 BCEDRO C=CCOCC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000645101789 386721922 /nfs/dbraw/zinc/72/19/22/386721922.db2.gz PYURYOLXOYLLJM-ZDUSSCGKSA-N 1 0 240.347 0.596 20 30 BCEDRO CCCN(CCO)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000330478613 386730103 /nfs/dbraw/zinc/73/01/03/386730103.db2.gz KWFYBOVVENHLTB-NSHDSACASA-N 1 0 243.351 0.699 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417955906 386762602 /nfs/dbraw/zinc/76/26/02/386762602.db2.gz HQZVEIJAWHDGDB-JTQLQIEISA-N 1 0 229.324 0.473 20 30 BCEDRO C[C@H](CC#N)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000330550472 386764151 /nfs/dbraw/zinc/76/41/51/386764151.db2.gz XEHZFBFAKAFFMF-ZJUUUORDSA-N 1 0 241.360 0.842 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000167147523 386741244 /nfs/dbraw/zinc/74/12/44/386741244.db2.gz UZPWDNIWVWZGGX-QWRGUYRKSA-N 1 0 224.304 0.141 20 30 BCEDRO C=CCCC[C@@H](C)NC(=O)N(CC[NH3+])CCO ZINC000417983195 386793845 /nfs/dbraw/zinc/79/38/45/386793845.db2.gz NTJSAFFTDANVPE-LLVKDONJSA-N 1 0 243.351 0.694 20 30 BCEDRO C#CCOc1ccccc1CNC(=[NH2+])NC ZINC000267409365 533192719 /nfs/dbraw/zinc/19/27/19/533192719.db2.gz HVNFATRVDPZIKG-UHFFFAOYSA-N 1 0 217.272 0.733 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000336672735 386820784 /nfs/dbraw/zinc/82/07/84/386820784.db2.gz JBADETRSKDTEPZ-GHMZBOCLSA-N 1 0 221.304 0.794 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000330576808 386797534 /nfs/dbraw/zinc/79/75/34/386797534.db2.gz RHLUEBBEAOWIOQ-KXUCPTDWSA-N 1 0 239.319 0.780 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1cnn2ccncc12 ZINC000330674163 386853822 /nfs/dbraw/zinc/85/38/22/386853822.db2.gz HXAVASSMFXLIBQ-VIFPVBQESA-N 1 0 247.302 0.984 20 30 BCEDRO C[N@H+](CCCCC#N)[C@@]1(CO)CCOC1 ZINC000330804721 386892041 /nfs/dbraw/zinc/89/20/41/386892041.db2.gz LEZORYWUDRPTIJ-LLVKDONJSA-N 1 0 212.293 0.763 20 30 BCEDRO C=CCCC[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000367096120 386855918 /nfs/dbraw/zinc/85/59/18/386855918.db2.gz HPBFOUXGSIZIFH-UHFFFAOYSA-N 1 0 232.349 0.706 20 30 BCEDRO C#CCSCCNC(=[NH2+])N(C)C1CC1 ZINC000262254957 533200385 /nfs/dbraw/zinc/20/03/85/533200385.db2.gz QECRRUSDMBPKLV-UHFFFAOYSA-N 1 0 211.334 0.762 20 30 BCEDRO CC#CCN1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000335754966 386881190 /nfs/dbraw/zinc/88/11/90/386881190.db2.gz NEDOMKYLJADXMY-RYUDHWBXSA-N 1 0 209.289 0.890 20 30 BCEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)NCCCC#N ZINC000330797822 386890166 /nfs/dbraw/zinc/89/01/66/386890166.db2.gz CDWSBCUMALJFHS-NSHDSACASA-N 1 0 239.319 0.375 20 30 BCEDRO C=C(C)C[NH+]1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC000330794578 386890553 /nfs/dbraw/zinc/89/05/53/386890553.db2.gz WIJFRZMUUIXJBD-UHFFFAOYSA-N 1 0 249.318 0.575 20 30 BCEDRO C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000418012858 386907142 /nfs/dbraw/zinc/90/71/42/386907142.db2.gz MOQYGAWJOZWZGU-AXFHLTTASA-N 1 0 238.335 0.833 20 30 BCEDRO CC(C)[C@H]([NH3+])CNC(=O)NCC1(CC#N)CC1 ZINC000418116445 386920822 /nfs/dbraw/zinc/92/08/22/386920822.db2.gz BCIOHQSWVWRVSF-SNVBAGLBSA-N 1 0 238.335 0.963 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NC(C)(C)C[NH+](C)C ZINC000454371495 386955543 /nfs/dbraw/zinc/95/55/43/386955543.db2.gz YMZYCNLNYJDRHD-UHFFFAOYSA-N 1 0 248.330 0.967 20 30 BCEDRO C=C(C)COCCNC(=O)NCC[C@H](C)[NH3+] ZINC000417894766 386996309 /nfs/dbraw/zinc/99/63/09/386996309.db2.gz UCOPJSFSWGUOAW-JTQLQIEISA-N 1 0 229.324 0.616 20 30 BCEDRO Cn1cc(C[NH2+][C@H]2C[C@@](C)(O)C2)cc1C#N ZINC000334954937 387032713 /nfs/dbraw/zinc/03/27/13/387032713.db2.gz GTBVLCFCPDUUME-KLPPZKSPSA-N 1 0 219.288 0.900 20 30 BCEDRO COc1cc(CNC(=O)C[NH+](C)C)ccc1C#N ZINC000358983950 387039387 /nfs/dbraw/zinc/03/93/87/387039387.db2.gz KAGSBXONFSUTME-UHFFFAOYSA-N 1 0 247.298 0.745 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000334968887 387052422 /nfs/dbraw/zinc/05/24/22/387052422.db2.gz UXSJCLNTQXKLLP-IUCAKERBSA-N 1 0 218.322 0.314 20 30 BCEDRO CC#CCCNC(=O)NCCC[NH2+]C1CC1 ZINC000418036530 387064662 /nfs/dbraw/zinc/06/46/62/387064662.db2.gz WHMNBPCQEAKSSR-UHFFFAOYSA-N 1 0 223.320 0.841 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417899000 387019051 /nfs/dbraw/zinc/01/90/51/387019051.db2.gz ZSVLQPNWHOMLHY-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCN1CC[C@H](N2CC[NH2+][C@@H](C)C2)C1=O ZINC000334998119 387089700 /nfs/dbraw/zinc/08/97/00/387089700.db2.gz KJTFDUWWRVMKOG-QWRGUYRKSA-N 1 0 223.320 0.067 20 30 BCEDRO C=C(CC)CNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000334950160 387114861 /nfs/dbraw/zinc/11/48/61/387114861.db2.gz VKTZVQFDTDAHOL-PHIMTYICSA-N 1 0 223.320 0.813 20 30 BCEDRO C=CCCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418101939 387120289 /nfs/dbraw/zinc/12/02/89/387120289.db2.gz SVLFVHNTZHHJKS-JTQLQIEISA-N 1 0 211.309 0.989 20 30 BCEDRO CC[N@H+](CCO)CCNCc1ccc(C#N)o1 ZINC000184550187 387124762 /nfs/dbraw/zinc/12/47/62/387124762.db2.gz VUWHMKBSQFEILT-UHFFFAOYSA-N 1 0 237.303 0.555 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000418134132 387162741 /nfs/dbraw/zinc/16/27/41/387162741.db2.gz MALLMJHKMZFOOJ-GHMZBOCLSA-N 1 0 241.335 0.616 20 30 BCEDRO C=CCOCCNC(=O)NC(C)(C)CC[NH3+] ZINC000643438571 387207889 /nfs/dbraw/zinc/20/78/89/387207889.db2.gz URVJSOYDMBFQFY-UHFFFAOYSA-N 1 0 229.324 0.616 20 30 BCEDRO C[C@@H]1CC[N@H+](CCCC#N)[C@H](C(N)=O)C1 ZINC000187426876 387197862 /nfs/dbraw/zinc/19/78/62/387197862.db2.gz HGVJOIIBBRMJSW-ZJUUUORDSA-N 1 0 209.293 0.876 20 30 BCEDRO CSC[C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000514933817 387317104 /nfs/dbraw/zinc/31/71/04/387317104.db2.gz ZSEMFTOKTOUEQY-MNOVXSKESA-N 1 0 245.392 0.534 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H]1CCOC[C@@H]1C ZINC000392759352 387279905 /nfs/dbraw/zinc/27/99/05/387279905.db2.gz KAQUEXZTZLNOAW-STQMWFEESA-N 1 0 224.348 0.956 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418377200 387287508 /nfs/dbraw/zinc/28/75/08/387287508.db2.gz UZCLILKJPZKUHF-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)CC1(CC#N)CC1 ZINC000389713740 387290115 /nfs/dbraw/zinc/29/01/15/387290115.db2.gz NBYPXBPWAXTNGV-JTQLQIEISA-N 1 0 212.293 0.355 20 30 BCEDRO CN1C(=O)C[C@H]([NH+]2CCC(CCC#N)CC2)C1=O ZINC000514790505 387291999 /nfs/dbraw/zinc/29/19/99/387291999.db2.gz YCBGNEKDICIJFL-NSHDSACASA-N 1 0 249.314 0.759 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccccn1 ZINC000392918752 387303306 /nfs/dbraw/zinc/30/33/06/387303306.db2.gz CPYHUSIMSAXUSJ-UHFFFAOYSA-N 1 0 231.299 0.767 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000273380381 387454556 /nfs/dbraw/zinc/45/45/56/387454556.db2.gz GRSNJNCZFFBUBC-LLVKDONJSA-N 1 0 236.319 0.569 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000423947244 387455383 /nfs/dbraw/zinc/45/53/83/387455383.db2.gz VXDDNPDVMHKKKT-NSHDSACASA-N 1 0 226.320 0.823 20 30 BCEDRO C#CCN1CC[NH+](C[C@H](O)c2ccccc2)CC1 ZINC000264305963 387389185 /nfs/dbraw/zinc/38/91/85/387389185.db2.gz XKHQGLSRMZAXAF-HNNXBMFYSA-N 1 0 244.338 0.971 20 30 BCEDRO C=CCCCCCNC(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000515670287 387418719 /nfs/dbraw/zinc/41/87/19/387418719.db2.gz KEXLLYWIBLZADO-WDEREUQCSA-N 1 0 226.320 0.572 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000354717736 387421000 /nfs/dbraw/zinc/42/10/00/387421000.db2.gz ZAJWLKIMNALLAA-VXGBXAGGSA-N 1 0 239.319 0.109 20 30 BCEDRO C=CCOCCCC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000269112365 387421503 /nfs/dbraw/zinc/42/15/03/387421503.db2.gz FWLQWCTZCIOXQN-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO CCCCOCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424095662 387496588 /nfs/dbraw/zinc/49/65/88/387496588.db2.gz AVKFJOHRWSTWCD-LLVKDONJSA-N 1 0 241.335 0.940 20 30 BCEDRO C=CCCOCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417967286 387508909 /nfs/dbraw/zinc/50/89/09/387508909.db2.gz VDWAADMONMHLCY-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO CO/N=C/C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000375087835 387511250 /nfs/dbraw/zinc/51/12/50/387511250.db2.gz BPQSXKNEBYUXTH-GJSJWPQCSA-N 1 0 239.319 0.705 20 30 BCEDRO C=CCCOCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000417967655 387519989 /nfs/dbraw/zinc/51/99/89/387519989.db2.gz VOMMPNZCQROLNZ-QWRGUYRKSA-N 1 0 241.335 0.710 20 30 BCEDRO C=C[C@H](C)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000648084728 387532174 /nfs/dbraw/zinc/53/21/74/387532174.db2.gz SEKXREDMNCQZBV-DTWKUNHWSA-N 1 0 234.303 0.791 20 30 BCEDRO CC#CC(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000277568227 387535067 /nfs/dbraw/zinc/53/50/67/387535067.db2.gz XUMIBQPUQPXYCB-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](C)CC1 ZINC000278498565 387541389 /nfs/dbraw/zinc/54/13/89/387541389.db2.gz ABMVXNXREIXDKC-GFCCVEGCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(C)CC[NH3+] ZINC000423998238 387464584 /nfs/dbraw/zinc/46/45/84/387464584.db2.gz AMLDNAKYLNHXSC-VIFPVBQESA-N 1 0 200.282 0.385 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000516190871 387470878 /nfs/dbraw/zinc/47/08/78/387470878.db2.gz VOQNIWJGNJECIF-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO COC(=O)C[C@@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424056911 387472260 /nfs/dbraw/zinc/47/22/60/387472260.db2.gz AGUHLKYKMSOGAB-RKDXNWHRSA-N 1 0 241.291 0.075 20 30 BCEDRO CCOC(=O)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424077015 387478255 /nfs/dbraw/zinc/47/82/55/387478255.db2.gz ASSHYMJDOYOLAG-VIFPVBQESA-N 1 0 241.291 0.077 20 30 BCEDRO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)C[C@H](C)O1 ZINC000424079267 387480753 /nfs/dbraw/zinc/48/07/53/387480753.db2.gz QWUCFUPGHHACOT-OUAUKWLOSA-N 1 0 239.319 0.643 20 30 BCEDRO C=CCCn1cc(C(=O)NC[C@@H]2CCC[NH2+]2)nn1 ZINC000424079288 387480978 /nfs/dbraw/zinc/48/09/78/387480978.db2.gz RAZYRYGTVOXEPR-JTQLQIEISA-N 1 0 249.318 0.336 20 30 BCEDRO CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(=O)OC ZINC000424077286 387481342 /nfs/dbraw/zinc/48/13/42/387481342.db2.gz BFSDUZRKWIQKAW-DTWKUNHWSA-N 1 0 241.291 0.075 20 30 BCEDRO C=CCCCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000516244773 387486422 /nfs/dbraw/zinc/48/64/22/387486422.db2.gz HUAAKGWSYVOZTH-JTQLQIEISA-N 1 0 232.349 0.706 20 30 BCEDRO C[C@@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292379648 387493217 /nfs/dbraw/zinc/49/32/17/387493217.db2.gz ZCTMNINRJJIOQK-PWSUYJOCSA-N 1 0 247.298 0.787 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528756121 387585383 /nfs/dbraw/zinc/58/53/83/387585383.db2.gz ZIUCOVPYUUCUSG-BETUJISGSA-N 1 0 243.347 0.502 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CCCOCC ZINC000327970380 387600437 /nfs/dbraw/zinc/60/04/37/387600437.db2.gz FYJRVVGODRGPQP-UHFFFAOYSA-N 1 0 240.347 0.874 20 30 BCEDRO CNC(=O)[C@]1(C)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000430270575 387604975 /nfs/dbraw/zinc/60/49/75/387604975.db2.gz RYSGNHHXTOCNGA-WCQYABFASA-N 1 0 248.330 0.888 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1cncn1C ZINC000327993359 387619657 /nfs/dbraw/zinc/61/96/57/387619657.db2.gz LWMKCCKIIXEUEU-UHFFFAOYSA-N 1 0 234.303 0.105 20 30 BCEDRO CCOCCN(CC)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424115513 387559230 /nfs/dbraw/zinc/55/92/30/387559230.db2.gz VHRNUNZUBMENNW-NSHDSACASA-N 1 0 241.335 0.893 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC[NH+](CC)CC ZINC000278759149 387563584 /nfs/dbraw/zinc/56/35/84/387563584.db2.gz WEWWMMOTVREHQO-LBPRGKRZSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418772276 387573533 /nfs/dbraw/zinc/57/35/33/387573533.db2.gz SRAAZSMBZIGZEN-GUBZILKMSA-N 1 0 211.309 0.988 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418776815 387574241 /nfs/dbraw/zinc/57/42/41/387574241.db2.gz XTVNHWOTGZDHAS-ZJUUUORDSA-N 1 0 227.308 0.239 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418776813 387576332 /nfs/dbraw/zinc/57/63/32/387576332.db2.gz XTVNHWOTGZDHAS-UWVGGRQHSA-N 1 0 227.308 0.239 20 30 BCEDRO C=CCCC[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000430720734 387645301 /nfs/dbraw/zinc/64/53/01/387645301.db2.gz JTIVSKSKUYPYLL-UHFFFAOYSA-N 1 0 239.363 0.834 20 30 BCEDRO C=C(C)C(C)(C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000424791990 387671088 /nfs/dbraw/zinc/67/10/88/387671088.db2.gz YQONHQFWFNHHDP-ZDUSSCGKSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000451896813 387673459 /nfs/dbraw/zinc/67/34/59/387673459.db2.gz CEUBIRFOAGDVSK-ZDUSSCGKSA-N 1 0 238.331 0.791 20 30 BCEDRO C=CCOCCC[NH2+][C@@H]1COC[C@H]1OCC ZINC000451949267 387686739 /nfs/dbraw/zinc/68/67/39/387686739.db2.gz WJDOWEYQMSUQTD-VXGBXAGGSA-N 1 0 229.320 0.973 20 30 BCEDRO C[C@H]1CSCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424143377 387748701 /nfs/dbraw/zinc/74/87/01/387748701.db2.gz QYPZYGJQBAXCKG-VHSXEESVSA-N 1 0 241.360 0.971 20 30 BCEDRO C[C@]12C[N@H+](CC(=O)NCC#N)C[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000452054487 387716261 /nfs/dbraw/zinc/71/62/61/387716261.db2.gz RCMCIHAYAIBHOR-GFQSEFKGSA-N 1 0 247.342 0.994 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000431826014 387734082 /nfs/dbraw/zinc/73/40/82/387734082.db2.gz YOCAFEFCRRCQPH-DGCLKSJQSA-N 1 0 240.347 0.724 20 30 BCEDRO CC[NH+](CC)CCNC(=O)c1cnn(C)c1C#N ZINC000353353634 387777440 /nfs/dbraw/zinc/77/74/40/387777440.db2.gz MFEQPSZFCVMQEN-UHFFFAOYSA-N 1 0 249.318 0.363 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCN2CCOCC2)C1 ZINC000442630938 387811016 /nfs/dbraw/zinc/81/10/16/387811016.db2.gz RWNOLEXKSPTKGY-CHWSQXEVSA-N 1 0 237.347 0.991 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424154085 387811034 /nfs/dbraw/zinc/81/10/34/387811034.db2.gz LBBHLBVSKVFFAS-LLVKDONJSA-N 1 0 240.351 0.464 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000423012889 387835699 /nfs/dbraw/zinc/83/56/99/387835699.db2.gz DZBPRXPPHFRIML-AVGNSLFASA-N 1 0 242.363 0.528 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000423012891 387835840 /nfs/dbraw/zinc/83/58/40/387835840.db2.gz DZBPRXPPHFRIML-RWMBFGLXSA-N 1 0 242.363 0.528 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)[C@H]1CCCOC1 ZINC000353953882 387840169 /nfs/dbraw/zinc/84/01/69/387840169.db2.gz GSSOLENOVYFWGF-MNOVXSKESA-N 1 0 249.318 0.554 20 30 BCEDRO CS[C@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424162137 387843798 /nfs/dbraw/zinc/84/37/98/387843798.db2.gz ZGZDXULARJSSNS-BDAKNGLRSA-N 1 0 229.349 0.875 20 30 BCEDRO CS[C@@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424162139 387844562 /nfs/dbraw/zinc/84/45/62/387844562.db2.gz ZGZDXULARJSSNS-IUCAKERBSA-N 1 0 229.349 0.875 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000433017531 387850941 /nfs/dbraw/zinc/85/09/41/387850941.db2.gz YNBIYEODKAWJPM-NSHDSACASA-N 1 0 238.331 0.668 20 30 BCEDRO C=CCn1cc(CN[C@H]2C[N@@H+](C)C[C@H]2C)nn1 ZINC000424167507 387857475 /nfs/dbraw/zinc/85/74/75/387857475.db2.gz CMTTWKBKWIZKHO-PWSUYJOCSA-N 1 0 235.335 0.504 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000424155017 387815697 /nfs/dbraw/zinc/81/56/97/387815697.db2.gz NBBGQLASMSLFCA-UTUOFQBUSA-N 1 0 238.331 0.821 20 30 BCEDRO C=C(C)COCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000168673411 387897427 /nfs/dbraw/zinc/89/74/27/387897427.db2.gz NYOJMKNOLHGGIP-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C#CCNC(=O)NCC[N@@H+](CC)CCC ZINC000175188761 387905640 /nfs/dbraw/zinc/90/56/40/387905640.db2.gz SPQVEKNQHZSXTP-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO C=CCOCCCC(=O)N(C)CC[NH+](C)C ZINC000176381103 387912695 /nfs/dbraw/zinc/91/26/95/387912695.db2.gz PIKYZANVOXQILE-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO CC#CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000418344725 387916196 /nfs/dbraw/zinc/91/61/96/387916196.db2.gz KTUSISJXJZJHBG-LLVKDONJSA-N 1 0 223.320 0.699 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C1([NH3+])CCCC1 ZINC000424208258 387930069 /nfs/dbraw/zinc/93/00/69/387930069.db2.gz JYSDSEMXLFQUBZ-QWRGUYRKSA-N 1 0 238.331 0.965 20 30 BCEDRO C[C@@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424218568 387934882 /nfs/dbraw/zinc/93/48/82/387934882.db2.gz VBNPEJULCYJNAS-QCLAVDOMSA-N 1 0 209.293 0.778 20 30 BCEDRO CO[C@@H](C[NH3+])CC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424217394 387935710 /nfs/dbraw/zinc/93/57/10/387935710.db2.gz LEXDPBBFFKTBCU-IVZWLZJFSA-N 1 0 225.292 0.159 20 30 BCEDRO CN1CC[C@@H](CNC(N)=[NH2+])c2ccccc21 ZINC000195523025 387922555 /nfs/dbraw/zinc/92/25/55/387922555.db2.gz WHEILZLBBKKVBH-VIFPVBQESA-N 1 0 218.304 0.884 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H](C)[C@H]2CCOC2)nn1 ZINC000424293096 387954770 /nfs/dbraw/zinc/95/47/70/387954770.db2.gz HZMPTYFIGLVLET-QWRGUYRKSA-N 1 0 236.319 0.979 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044828086 387944736 /nfs/dbraw/zinc/94/47/36/387944736.db2.gz IXBPGSINFCQQKJ-VHSXEESVSA-N 1 0 209.293 0.604 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1CCCC[C@H]1[NH3+] ZINC000424299381 387958063 /nfs/dbraw/zinc/95/80/63/387958063.db2.gz DWYSVPOCYOBNPG-NXEZZACHSA-N 1 0 211.309 0.148 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2CCOC[C@@H]2C)nn1 ZINC000424296397 387957314 /nfs/dbraw/zinc/95/73/14/387957314.db2.gz OIOUENBBJNGVLJ-CMPLNLGQSA-N 1 0 236.319 0.979 20 30 BCEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)CO ZINC000245704396 387974722 /nfs/dbraw/zinc/97/47/22/387974722.db2.gz YESCZQKARYYBHL-PWSUYJOCSA-N 1 0 241.335 0.353 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000424463636 388012162 /nfs/dbraw/zinc/01/21/62/388012162.db2.gz HBIBHMXWPVPFHT-RCWTZXSCSA-N 1 0 241.335 0.612 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424466332 388012646 /nfs/dbraw/zinc/01/26/46/388012646.db2.gz TUYQABYGNWSPAP-GHMZBOCLSA-N 1 0 223.320 0.969 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)CC[NH3+] ZINC000424478822 388035613 /nfs/dbraw/zinc/03/56/13/388035613.db2.gz NQBHXCNWYGGPIZ-VWYCJHECSA-N 1 0 241.335 0.614 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000424478735 388035928 /nfs/dbraw/zinc/03/59/28/388035928.db2.gz NNDOCALQWJIWPB-AEJSXWLSSA-N 1 0 222.292 0.340 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000259436681 135142243 /nfs/dbraw/zinc/14/22/43/135142243.db2.gz OLTRJGQYZLPCMD-ZJUUUORDSA-N 1 0 209.293 0.602 20 30 BCEDRO C=CCOCCCC(=O)N1CC[C@@H]([NH3+])C1 ZINC000160258324 388055206 /nfs/dbraw/zinc/05/52/06/388055206.db2.gz YGQFAUPOKDKKNU-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](O)CO[C@H](C)COC ZINC000447272777 388060162 /nfs/dbraw/zinc/06/01/62/388060162.db2.gz XUXONFMCUBNDJR-NEPJUHHUSA-N 1 0 231.336 0.907 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)NCC[N@H+](C)C1CC1 ZINC000448792909 388111446 /nfs/dbraw/zinc/11/14/46/388111446.db2.gz FCSWOGSMWDRTOI-BXKDBHETSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@H](O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000448802497 388112700 /nfs/dbraw/zinc/11/27/00/388112700.db2.gz WUWGVAZKMUPANL-JTQLQIEISA-N 1 0 227.308 0.061 20 30 BCEDRO CC[C@H](CC#N)[NH2+][C@H](C)COCC(=O)OC ZINC000449243100 388161958 /nfs/dbraw/zinc/16/19/58/388161958.db2.gz IFUHNXAGLHXGRF-NXEZZACHSA-N 1 0 228.292 0.846 20 30 BCEDRO CNC(=[NH2+])NCCCNc1ccccn1 ZINC000195522538 388166328 /nfs/dbraw/zinc/16/63/28/388166328.db2.gz DRFNJXMMNAZMLO-UHFFFAOYSA-N 1 0 207.281 0.418 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(C)C[C@H]1C ZINC000448945562 388121979 /nfs/dbraw/zinc/12/19/79/388121979.db2.gz IVVIGHNVTJLPKI-FOGDFJRCSA-N 1 0 221.304 0.699 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(C)C[C@H]1C ZINC000448945557 388122106 /nfs/dbraw/zinc/12/21/06/388122106.db2.gz IVVIGHNVTJLPKI-CKYFFXLPSA-N 1 0 221.304 0.699 20 30 BCEDRO C=C[C@@H](C)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000454681939 388129284 /nfs/dbraw/zinc/12/92/84/388129284.db2.gz SPYPRSKVIAZFSB-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CC[C@@H](C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000162320891 388148082 /nfs/dbraw/zinc/14/80/82/388148082.db2.gz FHQVPMYTSLYOMN-BDAKNGLRSA-N 1 0 205.323 0.974 20 30 BCEDRO C=C(C)COCC[NH2+][C@H](C)CS(=O)(=O)CC ZINC000162336886 388153326 /nfs/dbraw/zinc/15/33/26/388153326.db2.gz GDMAKYBVPYDMNB-LLVKDONJSA-N 1 0 249.376 0.992 20 30 BCEDRO C=CCOCC(=O)N(C)C1(C[NH3+])CCC1 ZINC000449677508 388251576 /nfs/dbraw/zinc/25/15/76/388251576.db2.gz MVAJPXBFNMLCBB-UHFFFAOYSA-N 1 0 212.293 0.529 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CCO[C@H](C(C)C)C1 ZINC000490923663 388260623 /nfs/dbraw/zinc/26/06/23/388260623.db2.gz LMWMYZAHRGLJGW-NEPJUHHUSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CC[N@H+](CC)CCCN1CCCC1=O ZINC000490759904 388253002 /nfs/dbraw/zinc/25/30/02/388253002.db2.gz HQPSOQXRQNIGEX-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C#CC[N@H+](CC)CCn1nc2ccccn2c1=O ZINC000490778693 388253223 /nfs/dbraw/zinc/25/32/23/388253223.db2.gz JCFQERIWZKCEQQ-UHFFFAOYSA-N 1 0 244.298 0.451 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CCO[C@@H](C(C)C)C1 ZINC000490923665 388260754 /nfs/dbraw/zinc/26/07/54/388260754.db2.gz LMWMYZAHRGLJGW-NWDGAFQWSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCN(CC#CC)C(=O)C[N@@H+](CC)C1CC1 ZINC000490865559 388257298 /nfs/dbraw/zinc/25/72/98/388257298.db2.gz DPOHZENRXAUJSM-UHFFFAOYSA-N 1 0 232.327 0.956 20 30 BCEDRO C#CC(C)(C)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000490897773 388258830 /nfs/dbraw/zinc/25/88/30/388258830.db2.gz FITYNRJOKYXOBZ-SNVBAGLBSA-N 1 0 240.372 0.952 20 30 BCEDRO C=CCCCS(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000489118751 388204197 /nfs/dbraw/zinc/20/41/97/388204197.db2.gz VGZWTLDONTXASQ-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO CC(C)CC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC000517926016 256554192 /nfs/dbraw/zinc/55/41/92/256554192.db2.gz UGSCQCONLYBSDZ-JTQLQIEISA-N 1 0 227.308 0.013 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1C2CCC1CC2 ZINC000490544284 388239811 /nfs/dbraw/zinc/23/98/11/388239811.db2.gz HDYMLDIOUZTWTL-KPPDAEKUSA-N 1 0 206.289 0.751 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000490678305 388246836 /nfs/dbraw/zinc/24/68/36/388246836.db2.gz NFTNWGYTFODZBI-DCAQKATOSA-N 1 0 240.372 0.950 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CN1CCOCC1 ZINC000451604806 388283512 /nfs/dbraw/zinc/28/35/12/388283512.db2.gz BTDOBGIDYCRRAL-XQQFMLRXSA-N 1 0 240.347 0.640 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCOCC(=O)OCC ZINC000451609887 388283712 /nfs/dbraw/zinc/28/37/12/388283712.db2.gz DQEAUTGQCJKQCJ-MNOVXSKESA-N 1 0 243.303 0.499 20 30 BCEDRO C#CCN(CC)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000491338981 388286456 /nfs/dbraw/zinc/28/64/56/388286456.db2.gz MYHHJOLPZDPUEV-DGCLKSJQSA-N 1 0 237.347 0.978 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000491386044 388291133 /nfs/dbraw/zinc/29/11/33/388291133.db2.gz UGUIQNMUNZTKOG-VHSXEESVSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000491405910 388292678 /nfs/dbraw/zinc/29/26/78/388292678.db2.gz LOXMXDAVKIUSDX-NEPJUHHUSA-N 1 0 236.315 0.189 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000491405911 388292683 /nfs/dbraw/zinc/29/26/83/388292683.db2.gz LOXMXDAVKIUSDX-NWDGAFQWSA-N 1 0 236.315 0.189 20 30 BCEDRO C=CCOCCC[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451757406 388294144 /nfs/dbraw/zinc/29/41/44/388294144.db2.gz IIHYXKUJUQUZFJ-GHMZBOCLSA-N 1 0 215.293 0.271 20 30 BCEDRO C#CC(C)(C)NC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000491452802 388295531 /nfs/dbraw/zinc/29/55/31/388295531.db2.gz NIJJLMSORLRNAO-SNVBAGLBSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCOC(F)F ZINC000491452533 388295857 /nfs/dbraw/zinc/29/58/57/388295857.db2.gz LNYSPBXBTUETPN-UHFFFAOYSA-N 1 0 234.246 0.345 20 30 BCEDRO C#C[C@H]1COCCN1CC[NH+]1CCCCC1 ZINC000491463170 388296135 /nfs/dbraw/zinc/29/61/35/388296135.db2.gz LYPWFFLQKPONIE-ZDUSSCGKSA-N 1 0 222.332 0.806 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCO[C@H]1CC ZINC000491465414 388296753 /nfs/dbraw/zinc/29/67/53/388296753.db2.gz WTHSAJHYOXSZJI-MNOVXSKESA-N 1 0 224.304 0.283 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)CCC(=O)N(C)OC ZINC000491475575 388297922 /nfs/dbraw/zinc/29/79/22/388297922.db2.gz XZYZJGZHWPQRIX-UHFFFAOYSA-N 1 0 212.293 0.740 20 30 BCEDRO C#CCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000491484700 388298129 /nfs/dbraw/zinc/29/81/29/388298129.db2.gz KQTHYUAPQHOPNN-UHFFFAOYSA-N 1 0 239.319 0.030 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000491484987 388298154 /nfs/dbraw/zinc/29/81/54/388298154.db2.gz MERLHMTWAHMBDY-CHWSQXEVSA-N 1 0 249.310 0.318 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@H](O)CO[C@H](C)COC ZINC000491484530 388298284 /nfs/dbraw/zinc/29/82/84/388298284.db2.gz JAWWCVCMBLHHGU-TUAOUCFPSA-N 1 0 229.320 0.352 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](O)CO[C@H](C)COC ZINC000491484527 388298320 /nfs/dbraw/zinc/29/83/20/388298320.db2.gz JAWWCVCMBLHHGU-QJPTWQEYSA-N 1 0 229.320 0.352 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NO[C@H](C)C=C)CC1 ZINC000491497699 388299149 /nfs/dbraw/zinc/29/91/49/388299149.db2.gz ZJKACZKIXMEAJJ-LLVKDONJSA-N 1 0 236.315 0.954 20 30 BCEDRO C#C[C@H](NC(=O)NCC1CC[NH2+]CC1)C(C)C ZINC000491523442 388300835 /nfs/dbraw/zinc/30/08/35/388300835.db2.gz FDWVPUVGJOGYHA-LBPRGKRZSA-N 1 0 237.347 0.943 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1CCN(C2CC2)CC1 ZINC000491546189 388302959 /nfs/dbraw/zinc/30/29/59/388302959.db2.gz UVVQTPAEVXTKNU-UHFFFAOYSA-N 1 0 249.358 0.342 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000491569513 388304090 /nfs/dbraw/zinc/30/40/90/388304090.db2.gz WFFBKSVIUAIFJC-ZDUSSCGKSA-N 1 0 232.327 0.812 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@]1(C)CCOC1 ZINC000491570233 388304377 /nfs/dbraw/zinc/30/43/77/388304377.db2.gz ZZOXKPWGROHAJQ-LBPRGKRZSA-N 1 0 224.304 0.142 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@@](C)(O)C(=O)OCC ZINC000491624573 388304675 /nfs/dbraw/zinc/30/46/75/388304675.db2.gz IECHNCXEZFOKTG-GXSJLCMTSA-N 1 0 213.277 0.254 20 30 BCEDRO C#C[C@H](NC(=O)NCC[C@H](C)[NH3+])C(C)C ZINC000491618702 388304720 /nfs/dbraw/zinc/30/47/20/388304720.db2.gz CVRLQSOPAYAVQW-UWVGGRQHSA-N 1 0 211.309 0.681 20 30 BCEDRO C#CCNC(=O)N1CCCC[C@@H]1[C@H](C)[NH3+] ZINC000491654574 388308333 /nfs/dbraw/zinc/30/83/33/388308333.db2.gz FZPMMPBJTWTOLK-VHSXEESVSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1c(C)onc1CC ZINC000491657088 388308427 /nfs/dbraw/zinc/30/84/27/388308427.db2.gz FSRXKWSHHWZDDE-UHFFFAOYSA-N 1 0 249.314 0.775 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1Cc2ccccc2C1 ZINC000491656255 388308643 /nfs/dbraw/zinc/30/86/43/388308643.db2.gz DHGOPODYTUEIKI-UHFFFAOYSA-N 1 0 242.322 0.883 20 30 BCEDRO C#CCN(C)C(=O)NCCC[NH2+]C1CC1 ZINC000491665519 388309535 /nfs/dbraw/zinc/30/95/35/388309535.db2.gz VFZBVDGQSQCQEX-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CC1CCCC1 ZINC000491673943 388309859 /nfs/dbraw/zinc/30/98/59/388309859.db2.gz QOSADFMJCWKDJU-VXGBXAGGSA-N 1 0 211.305 0.511 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000491673938 388309920 /nfs/dbraw/zinc/30/99/20/388309920.db2.gz QOSADFMJCWKDJU-NEPJUHHUSA-N 1 0 211.305 0.511 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ncccc1OC ZINC000491692038 388311305 /nfs/dbraw/zinc/31/13/05/388311305.db2.gz HPHOINANPKWIDS-UHFFFAOYSA-N 1 0 247.298 0.319 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC000491699656 388312423 /nfs/dbraw/zinc/31/24/23/388312423.db2.gz CGNMYZIQEJZKFJ-JTQLQIEISA-N 1 0 208.305 0.808 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C(=O)c1ccc[nH]1 ZINC000491698388 388312456 /nfs/dbraw/zinc/31/24/56/388312456.db2.gz HLROWOYQMQJTMP-UHFFFAOYSA-N 1 0 247.298 0.269 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)OC[C@H]1CC ZINC000491701429 388312509 /nfs/dbraw/zinc/31/25/09/388312509.db2.gz WOGPVZNMDMAAPV-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)COCCOC)C1CC1 ZINC000491700490 388312555 /nfs/dbraw/zinc/31/25/55/388312555.db2.gz GILHBVFLHBFTLR-GFCCVEGCSA-N 1 0 227.304 0.108 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N1C[C@H](C)[C@@H]1C ZINC000491700807 388312588 /nfs/dbraw/zinc/31/25/88/388312588.db2.gz PEOYCIYQKQLJIW-RYUDHWBXSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[C@@H]1C ZINC000491700804 388312763 /nfs/dbraw/zinc/31/27/63/388312763.db2.gz PEOYCIYQKQLJIW-NEPJUHHUSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](OC)C(C)C ZINC000491701829 388312798 /nfs/dbraw/zinc/31/27/98/388312798.db2.gz HXBFGWAQBHXSRZ-NSHDSACASA-N 1 0 226.320 0.387 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1[NH2+]CCc2ccccc21 ZINC000491708338 388313548 /nfs/dbraw/zinc/31/35/48/388313548.db2.gz HOLXCWNDDIMGIV-ZDUSSCGKSA-N 1 0 243.310 0.806 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=S)NCC=C ZINC000491709569 388313883 /nfs/dbraw/zinc/31/38/83/388313883.db2.gz QUIFICONTJNOIF-UHFFFAOYSA-N 1 0 225.361 0.592 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)cc1C ZINC000491715595 388314187 /nfs/dbraw/zinc/31/41/87/388314187.db2.gz KMXFLGUSNCGSJK-YPMHNXCESA-N 1 0 237.274 0.751 20 30 BCEDRO C#C[C@H](CC)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000491717044 388314375 /nfs/dbraw/zinc/31/43/75/388314375.db2.gz PIIKKWDPMWFLOD-VHSXEESVSA-N 1 0 211.309 0.648 20 30 BCEDRO C#CC[N@@H+](C)C(C)(C)CN1CCOCC1 ZINC000491724091 388314731 /nfs/dbraw/zinc/31/47/31/388314731.db2.gz FDDDMAOGGFKQMI-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H]1C1CC1 ZINC000491732959 388315779 /nfs/dbraw/zinc/31/57/79/388315779.db2.gz QZVCROKYZQLQTK-WDEREUQCSA-N 1 0 206.289 0.514 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000491735405 388316105 /nfs/dbraw/zinc/31/61/05/388316105.db2.gz UCDNTMPYXSICJM-VXGBXAGGSA-N 1 0 223.247 0.443 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)CO[C@H](C)COC)C1CC1 ZINC000491742475 388317103 /nfs/dbraw/zinc/31/71/03/388317103.db2.gz SOPXACJZKSGYPB-YPMHNXCESA-N 1 0 241.331 0.496 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCCOCC[NH+](C)C ZINC000491742639 388317117 /nfs/dbraw/zinc/31/71/17/388317117.db2.gz WTBVOGMBNLDDOY-NSHDSACASA-N 1 0 241.335 0.228 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)CO[C@H](C)COC)C1CC1 ZINC000491742471 388317121 /nfs/dbraw/zinc/31/71/21/388317121.db2.gz SOPXACJZKSGYPB-DGCLKSJQSA-N 1 0 241.331 0.496 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCCC(=O)OC ZINC000491749344 388317530 /nfs/dbraw/zinc/31/75/30/388317530.db2.gz QNOPKODERFNLHA-UHFFFAOYSA-N 1 0 240.303 0.059 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000491752895 388318148 /nfs/dbraw/zinc/31/81/48/388318148.db2.gz XHULNCQQWTZCKG-NSHDSACASA-N 1 0 223.320 0.651 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)CSC)C(C)C ZINC000491759011 388318398 /nfs/dbraw/zinc/31/83/98/388318398.db2.gz KWPHUSDVDBRALL-VHSXEESVSA-N 1 0 201.335 0.958 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)Cc1ccncc1 ZINC000491761307 388318602 /nfs/dbraw/zinc/31/86/02/388318602.db2.gz VINSIEXDQUGQKH-LBPRGKRZSA-N 1 0 245.326 0.742 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCSCC#C ZINC000491769698 388319167 /nfs/dbraw/zinc/31/91/67/388319167.db2.gz NRKROAVVKXWMCG-UHFFFAOYSA-N 1 0 224.329 0.082 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000491775718 388319517 /nfs/dbraw/zinc/31/95/17/388319517.db2.gz VJMSXSUEYLMHDG-QWRGUYRKSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@H](O)C(C)C ZINC000491774598 388319690 /nfs/dbraw/zinc/31/96/90/388319690.db2.gz AMEAYLLYPQBWOE-NSHDSACASA-N 1 0 226.320 0.123 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC[C@@H](O)C1 ZINC000491778729 388320145 /nfs/dbraw/zinc/32/01/45/388320145.db2.gz HYEFSFUKODKFPL-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H](C)CCC[NH3+] ZINC000491803385 388321408 /nfs/dbraw/zinc/32/14/08/388321408.db2.gz IWNWKXDAQAELNN-GFCCVEGCSA-N 1 0 235.331 0.782 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1CCCO[C@@H](CC)C1 ZINC000491810448 388322554 /nfs/dbraw/zinc/32/25/54/388322554.db2.gz IMAZPHWLIYAMLB-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@H](C)C[NH2+]C ZINC000491814747 388323202 /nfs/dbraw/zinc/32/32/02/388323202.db2.gz NVODVVYNMOWABA-MNOVXSKESA-N 1 0 225.336 0.943 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000491816274 388323385 /nfs/dbraw/zinc/32/33/85/388323385.db2.gz MYGVHBVQBAXVSX-SNVBAGLBSA-N 1 0 249.270 0.710 20 30 BCEDRO C#C[C@H](CC)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000491820629 388323887 /nfs/dbraw/zinc/32/38/87/388323887.db2.gz YMAHBVSFPRRGSM-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO CCC[C@H](C#N)NC(=O)/C=C\C[NH+](C)C ZINC000491873101 388325464 /nfs/dbraw/zinc/32/54/64/388325464.db2.gz SYGWHXWWAOUNFL-ONRRBMGISA-N 1 0 209.293 0.913 20 30 BCEDRO CC[C@](C)(C#N)NC(=O)/C=C\C[NH+](C)C ZINC000491884730 388326002 /nfs/dbraw/zinc/32/60/02/388326002.db2.gz NCXRXPKVNJYODH-JMEBYUIHSA-N 1 0 209.293 0.913 20 30 BCEDRO CC[C@@](C)(C#N)NC(=O)/C=C/C[NH+](C)C ZINC000491884731 388326019 /nfs/dbraw/zinc/32/60/19/388326019.db2.gz NCXRXPKVNJYODH-MLRMMBSGSA-N 1 0 209.293 0.913 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)C(C)(C)O)C1=O ZINC000451367579 388263928 /nfs/dbraw/zinc/26/39/28/388263928.db2.gz ISVZIKAKQSDOQC-WDEREUQCSA-N 1 0 240.347 0.865 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)C(C)(C)O)C1=O ZINC000451367564 388266200 /nfs/dbraw/zinc/26/62/00/388266200.db2.gz ISVZIKAKQSDOQC-GHMZBOCLSA-N 1 0 240.347 0.865 20 30 BCEDRO C#CC[N@@H+](CCC(=O)N1CCN(C)CC1)C1CC1 ZINC000491043280 388267325 /nfs/dbraw/zinc/26/73/25/388267325.db2.gz AEVPNIZIWLMQSI-UHFFFAOYSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cncc2nncn21 ZINC000491099667 388269485 /nfs/dbraw/zinc/26/94/85/388269485.db2.gz CJEGTPCETQIHCZ-UHFFFAOYSA-N 1 0 244.302 0.491 20 30 BCEDRO C#CCNC(=O)C1CCN(Cc2cocn2)CC1 ZINC000491120747 388270917 /nfs/dbraw/zinc/27/09/17/388270917.db2.gz NMWZVOQCMMQILE-UHFFFAOYSA-N 1 0 247.298 0.636 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000491122954 388271307 /nfs/dbraw/zinc/27/13/07/388271307.db2.gz YVIHUERLVIBVPS-NEPJUHHUSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CC(C)(C)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000491166710 388274032 /nfs/dbraw/zinc/27/40/32/388274032.db2.gz UDQTXKKBGYZJMS-LBPRGKRZSA-N 1 0 240.347 0.023 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](CCNC(C)=O)C1 ZINC000491191488 388275692 /nfs/dbraw/zinc/27/56/92/388275692.db2.gz DRJLCCPVLFONFJ-LBPRGKRZSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CCSC ZINC000491201455 388276490 /nfs/dbraw/zinc/27/64/90/388276490.db2.gz IAFOQSFFBWEAOO-UHFFFAOYSA-N 1 0 214.334 0.421 20 30 BCEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]CC(=O)NCC#N)C1(C)C ZINC000451504415 388278114 /nfs/dbraw/zinc/27/81/14/388278114.db2.gz SDRHTBWJLIXOBL-FBIMIBRVSA-N 1 0 239.319 0.275 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(O)cc1 ZINC000491231080 388278643 /nfs/dbraw/zinc/27/86/43/388278643.db2.gz QCLYMJHSMPDNKZ-UHFFFAOYSA-N 1 0 232.283 0.621 20 30 BCEDRO C#C[C@@H](C)N(C)Cc1c(C)n(C)nc1C(=O)OC ZINC000491243335 388279537 /nfs/dbraw/zinc/27/95/37/388279537.db2.gz WGWJWYKTCMYDPW-SECBINFHSA-N 1 0 249.314 0.969 20 30 BCEDRO C[C@@H](C[NH3+])C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594453367 388356117 /nfs/dbraw/zinc/35/61/17/388356117.db2.gz UKUDVIKYGRCDLV-VIFPVBQESA-N 1 0 229.283 0.995 20 30 BCEDRO C[C@H](CNC(=O)c1ccc(C#N)c(O)c1)[NH+](C)C ZINC000442630833 388358459 /nfs/dbraw/zinc/35/84/59/388358459.db2.gz WYUVBEIKUIHEHW-SECBINFHSA-N 1 0 247.298 0.944 20 30 BCEDRO CC#CCC[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC000234832554 388360531 /nfs/dbraw/zinc/36/05/31/388360531.db2.gz GWXKGJPSVATQKR-NWDGAFQWSA-N 1 0 229.320 0.402 20 30 BCEDRO CC#CCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC000234848421 388360921 /nfs/dbraw/zinc/36/09/21/388360921.db2.gz GWXKGJPSVATQKR-VXGBXAGGSA-N 1 0 229.320 0.402 20 30 BCEDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1ccc(C#N)o1 ZINC000227972635 388375422 /nfs/dbraw/zinc/37/54/22/388375422.db2.gz VAMMOIUWGNFCDZ-SKDRFNHKSA-N 1 0 236.271 0.781 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C[NH3+])CC(C)C ZINC000236622990 388381143 /nfs/dbraw/zinc/38/11/43/388381143.db2.gz JLMZSZGDNAHPRO-SNVBAGLBSA-N 1 0 234.365 0.855 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNCc1ccc(C#N)cc1 ZINC000228724285 388387676 /nfs/dbraw/zinc/38/76/76/388387676.db2.gz ULEUNSFZKCTLJH-CQSZACIVSA-N 1 0 247.342 0.960 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000237400659 388393539 /nfs/dbraw/zinc/39/35/39/388393539.db2.gz KSTINBBYSIGZRK-MNOVXSKESA-N 1 0 246.376 0.952 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000646610862 388395100 /nfs/dbraw/zinc/39/51/00/388395100.db2.gz UADWGXDMGDQVDF-VHSXEESVSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CC[NH+](CC)CC1 ZINC000646618445 388395498 /nfs/dbraw/zinc/39/54/98/388395498.db2.gz OCHPVCKUOURKEG-JTQLQIEISA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@H](C)C[NH3+] ZINC000237550872 388396775 /nfs/dbraw/zinc/39/67/75/388396775.db2.gz VPEABRNIUXYBRB-ZJUUUORDSA-N 1 0 214.309 0.679 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)/C=C/C[NH+](C)C ZINC000492204358 388338368 /nfs/dbraw/zinc/33/83/68/388338368.db2.gz ZGAZARUTNNMCPY-QRGHLMKCSA-N 1 0 225.292 0.149 20 30 BCEDRO N#C[C@H]1CCC[C@@H]1[NH2+]CCn1cncn1 ZINC000330363604 388443889 /nfs/dbraw/zinc/44/38/89/388443889.db2.gz LLYDPRNNAFZIQM-ZJUUUORDSA-N 1 0 205.265 0.560 20 30 BCEDRO N#CC1CC[NH+](C[C@H](O)CC2(O)CCC2)CC1 ZINC000528366296 388450904 /nfs/dbraw/zinc/45/09/04/388450904.db2.gz UNNYRQQEMTULFO-GFCCVEGCSA-N 1 0 238.331 0.888 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000646741758 388451401 /nfs/dbraw/zinc/45/14/01/388451401.db2.gz HYOHLEXSMMEDAI-SRVKXCTJSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)CSC ZINC000515650312 256752810 /nfs/dbraw/zinc/75/28/10/256752810.db2.gz REUUXGPCMMWNHB-RKDXNWHRSA-N 1 0 205.323 0.237 20 30 BCEDRO C[C@@H](C[S@@](C)=O)[N@H+](C)CCOCCC#N ZINC000339083425 388476965 /nfs/dbraw/zinc/47/69/65/388476965.db2.gz JEOQIVCQAXGAPA-ZUZCIYMTSA-N 1 0 232.349 0.615 20 30 BCEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1cc(C#N)cnn1 ZINC000596181723 388407842 /nfs/dbraw/zinc/40/78/42/388407842.db2.gz DYBJNNPDOIPZEJ-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000646671708 388410988 /nfs/dbraw/zinc/41/09/88/388410988.db2.gz SXNBSFWMETYWLS-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000646690105 388418253 /nfs/dbraw/zinc/41/82/53/388418253.db2.gz KBMMUDGOJNLIRT-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000646690773 388418255 /nfs/dbraw/zinc/41/82/55/388418255.db2.gz RQTBYVGJTNXCNI-LBPRGKRZSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CCCCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000573176505 388427867 /nfs/dbraw/zinc/42/78/67/388427867.db2.gz JQAMKFMFLWSECX-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO CC(C)(CCC#N)C[NH2+]CCC(=O)NC(N)=O ZINC000573238046 388435290 /nfs/dbraw/zinc/43/52/90/388435290.db2.gz LCCQLZMSKDSRRV-UHFFFAOYSA-N 1 0 240.307 0.491 20 30 BCEDRO N#CC1(C(=O)NC[C@H]([NH3+])C2CC2)CCCC1 ZINC000573262348 388437005 /nfs/dbraw/zinc/43/70/05/388437005.db2.gz CBNVQZPPELLYQO-JTQLQIEISA-N 1 0 221.304 0.924 20 30 BCEDRO N#C[C@H]1CCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528561314 388546711 /nfs/dbraw/zinc/54/67/11/388546711.db2.gz QHDACGANFBTCPS-GHMZBOCLSA-N 1 0 224.304 0.498 20 30 BCEDRO C[C@]1(C#N)CCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528561269 388547129 /nfs/dbraw/zinc/54/71/29/388547129.db2.gz PNYZWPQPLYIXRV-VXGBXAGGSA-N 1 0 238.331 0.888 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000649273265 388488352 /nfs/dbraw/zinc/48/83/52/388488352.db2.gz VWAORZRUZYJXGW-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO C#CCN(CC)C(=O)NCC1([NH3+])CCC1 ZINC000491709413 256789454 /nfs/dbraw/zinc/78/94/54/256789454.db2.gz OVDWGQUSLXHAHW-UHFFFAOYSA-N 1 0 209.293 0.533 20 30 BCEDRO CC#CCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000135613467 388503021 /nfs/dbraw/zinc/50/30/21/388503021.db2.gz KMLUILLYJIQFBP-LLVKDONJSA-N 1 0 235.331 0.793 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000646794153 388506859 /nfs/dbraw/zinc/50/68/59/388506859.db2.gz XJEXOSHOFFNSLV-JTQLQIEISA-N 1 0 212.293 0.134 20 30 BCEDRO CCNC(NC1CN(C(=O)OC)C1)=[NH+]CC ZINC000178995893 388508410 /nfs/dbraw/zinc/50/84/10/388508410.db2.gz XBWXQPUTPPVKRB-UHFFFAOYSA-N 1 0 228.296 0.012 20 30 BCEDRO C=CCOCCCC(=O)N[C@@H](C)C[NH3+] ZINC000261535538 388550314 /nfs/dbraw/zinc/55/03/14/388550314.db2.gz OMUYBRVRRGIOAR-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO C[C@@H](CC[NH3+])NC(=O)C1(C#N)CCCC1 ZINC000517037746 388535031 /nfs/dbraw/zinc/53/50/31/388535031.db2.gz LRYHYXFDLNZSCF-VIFPVBQESA-N 1 0 209.293 0.924 20 30 BCEDRO C=CCNC(=O)[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000089898129 388589974 /nfs/dbraw/zinc/58/99/74/388589974.db2.gz QJRYVBVSQVONEP-LBPRGKRZSA-N 1 0 239.363 0.705 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000328285203 388590663 /nfs/dbraw/zinc/59/06/63/388590663.db2.gz QECSBXAEQQVHOP-OLZOCXBDSA-N 1 0 224.348 0.956 20 30 BCEDRO CN(CC[NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000054417736 388594226 /nfs/dbraw/zinc/59/42/26/388594226.db2.gz PUXPKHXLWJTAAD-UHFFFAOYSA-N 1 0 218.260 0.981 20 30 BCEDRO CN(CC[NH+](C)C)c1ncc(C#N)cc1[N+](=O)[O-] ZINC000297456302 388603885 /nfs/dbraw/zinc/60/38/85/388603885.db2.gz JSZJDHSSUWAKNQ-UHFFFAOYSA-N 1 0 249.274 0.859 20 30 BCEDRO N#Cc1csc(CN2CC[C@H](CO)C2)n1 ZINC000356215865 388605761 /nfs/dbraw/zinc/60/57/61/388605761.db2.gz COPTXRXHSYCZPL-QMMMGPOBSA-N 1 0 223.301 0.829 20 30 BCEDRO CN(CCO)CC(=O)NCc1ccc(C#N)cc1 ZINC000298709979 388609151 /nfs/dbraw/zinc/60/91/51/388609151.db2.gz AHBFXKXUDTXVET-UHFFFAOYSA-N 1 0 247.298 0.099 20 30 BCEDRO C[N@H+](C[C@@H](O)COc1cccnc1C#N)C1CC1 ZINC000357450704 388615303 /nfs/dbraw/zinc/61/53/03/388615303.db2.gz INMNDQXFZHAHKA-LLVKDONJSA-N 1 0 247.298 0.787 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000528782969 388572477 /nfs/dbraw/zinc/57/24/77/388572477.db2.gz JVNULBRLMAYDHL-WQGACYEGSA-N 1 0 241.356 0.622 20 30 BCEDRO C=C(Cl)CNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000261543499 388583368 /nfs/dbraw/zinc/58/33/68/388583368.db2.gz HXHVVCTWVJXFLC-VIFPVBQESA-N 1 0 232.711 0.624 20 30 BCEDRO C[C@@]1(CO)CCC[N@@H+]1CCOCCC#N ZINC000549551954 388584685 /nfs/dbraw/zinc/58/46/85/388584685.db2.gz YIRMGAQQVJXPNJ-NSHDSACASA-N 1 0 212.293 0.763 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NC(N)=O)c1ccc(C#N)cc1 ZINC000037749575 388616864 /nfs/dbraw/zinc/61/68/64/388616864.db2.gz GVXWOLHGDFDCOB-QMMMGPOBSA-N 1 0 246.270 0.404 20 30 BCEDRO C=CCCC(=O)N[C@@H](C)C(=O)NCC[NH+](C)C ZINC000552082648 388667825 /nfs/dbraw/zinc/66/78/25/388667825.db2.gz ZHKAJFQTUKLDED-JTQLQIEISA-N 1 0 241.335 0.135 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000248484593 388681892 /nfs/dbraw/zinc/68/18/92/388681892.db2.gz DLYDJDPKGRQRQX-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000646869064 388683231 /nfs/dbraw/zinc/68/32/31/388683231.db2.gz URQPKSLGLYNFLA-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO Cn1cc(C[NH2+]C[C@H](O)[C@H]2CCOC2)cc1C#N ZINC000359714049 388630968 /nfs/dbraw/zinc/63/09/68/388630968.db2.gz CPTGTPLRURNNED-AAEUAGOBSA-N 1 0 249.314 0.384 20 30 BCEDRO CC#CCCN1CC[NH+](C[C@H](C)O)CC1 ZINC000189393952 388633203 /nfs/dbraw/zinc/63/32/03/388633203.db2.gz TUQNAOHAJAGLBT-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO C[C@@H]1CCC[N@H+](CCNc2ccnc(C#N)n2)C1 ZINC000514637417 388643580 /nfs/dbraw/zinc/64/35/80/388643580.db2.gz SJGSBDLLYFDNFB-LLVKDONJSA-N 1 0 245.330 0.914 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000328618224 388644970 /nfs/dbraw/zinc/64/49/70/388644970.db2.gz UXLSKPNDKHPBIR-GMTAPVOTSA-N 1 0 242.344 0.845 20 30 BCEDRO C=CCC[N@H+]1CCN(C[C@@H](C)O)C[C@H]1C ZINC000192811262 388685782 /nfs/dbraw/zinc/68/57/82/388685782.db2.gz ZPQDKQNPQUUQFH-VXGBXAGGSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCC[N@H+]1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000192811277 388685796 /nfs/dbraw/zinc/68/57/96/388685796.db2.gz ZPQDKQNPQUUQFH-NWDGAFQWSA-N 1 0 212.337 0.949 20 30 BCEDRO CC[N@H+](CCOCCO)Cc1ccc(C#N)cn1 ZINC000516979721 388660252 /nfs/dbraw/zinc/66/02/52/388660252.db2.gz QAZLJFOSYWZVSU-UHFFFAOYSA-N 1 0 249.314 0.784 20 30 BCEDRO CC[N@@H+]1CCN(c2ccnc(C#N)n2)[C@H](C)C1 ZINC000517960367 388661504 /nfs/dbraw/zinc/66/15/04/388661504.db2.gz IMWPAGQVHKXSIG-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC1(O)CCCC1 ZINC000124231186 388661503 /nfs/dbraw/zinc/66/15/03/388661503.db2.gz OYGHIEPVAVYPAV-NSHDSACASA-N 1 0 238.331 0.361 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H](CO)[C@@H]2CCCO2)o1 ZINC000447971715 388740206 /nfs/dbraw/zinc/74/02/06/388740206.db2.gz MFLQUVJCPLATTA-NEPJUHHUSA-N 1 0 236.271 0.781 20 30 BCEDRO C=CCC[C@H](O)CN(C)CC(=O)OCC ZINC000124370428 388745537 /nfs/dbraw/zinc/74/55/37/388745537.db2.gz GAVVHTCAZYHARV-JTQLQIEISA-N 1 0 215.293 0.808 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3ccnc(C#N)c3)C[C@H]21 ZINC000329363197 388746678 /nfs/dbraw/zinc/74/66/78/388746678.db2.gz HNMWEYFIVHYESD-OLZOCXBDSA-N 1 0 244.298 0.472 20 30 BCEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000128406516 388754921 /nfs/dbraw/zinc/75/49/21/388754921.db2.gz GTCJQIOPVJEIDZ-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO CC(C)(CCC#N)C[NH2+]CCNS(C)(=O)=O ZINC000126730122 388700638 /nfs/dbraw/zinc/70/06/38/388700638.db2.gz WUVKWQNWPRTBTJ-UHFFFAOYSA-N 1 0 247.364 0.455 20 30 BCEDRO N#Cc1ccc(CC(=O)NCC[NH+]2CCC2)cn1 ZINC000528887787 388708872 /nfs/dbraw/zinc/70/88/72/388708872.db2.gz SZSPGGOXGJPFKV-UHFFFAOYSA-N 1 0 244.298 0.318 20 30 BCEDRO CNC(=[NH2+])NCCCN(C)C(=O)OC(C)(C)C ZINC000195522336 388712680 /nfs/dbraw/zinc/71/26/80/388712680.db2.gz ZKCJZHGBZYIUEZ-UHFFFAOYSA-N 1 0 244.339 0.778 20 30 BCEDRO CC#CCN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000249479392 388722571 /nfs/dbraw/zinc/72/25/71/388722571.db2.gz AVODBDAZNCGABV-VXGBXAGGSA-N 1 0 210.321 0.397 20 30 BCEDRO Cn1cc(C[N@@H+]2CC[C@@H](CC(N)=O)C2)cc1C#N ZINC000377840911 388726008 /nfs/dbraw/zinc/72/60/08/388726008.db2.gz WVOWLIWEEKWRHB-JTQLQIEISA-N 1 0 246.314 0.594 20 30 BCEDRO CC[C@H](CO)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000555552219 388793755 /nfs/dbraw/zinc/79/37/55/388793755.db2.gz LJGPDWDDLHPPTQ-LLVKDONJSA-N 1 0 245.286 0.461 20 30 BCEDRO C#CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@@H]2C1(C)C ZINC000228889210 388775729 /nfs/dbraw/zinc/77/57/29/388775729.db2.gz JWYQMVMVNDDORS-GBIKHYSHSA-N 1 0 236.315 0.268 20 30 BCEDRO C=C(C)CC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000229078412 388780482 /nfs/dbraw/zinc/78/04/82/388780482.db2.gz GVOAVUKPTKXLTE-UWVGGRQHSA-N 1 0 213.277 0.561 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)nn1 ZINC000648743740 388781128 /nfs/dbraw/zinc/78/11/28/388781128.db2.gz QNBCVRGFXHBNCJ-JTQLQIEISA-N 1 0 249.318 0.146 20 30 BCEDRO Cn1cc(C[N@@H+]2CC[C@](C)(C(N)=O)C2)cc1C#N ZINC000280314616 388782362 /nfs/dbraw/zinc/78/23/62/388782362.db2.gz PWQVKWGIYFDRQH-ZDUSSCGKSA-N 1 0 246.314 0.594 20 30 BCEDRO N#CCC[C@@H](C#N)C[NH2+]CCNC(=O)C1CC1 ZINC000554476027 388817410 /nfs/dbraw/zinc/81/74/10/388817410.db2.gz GMCUZBNHKHUYRM-JTQLQIEISA-N 1 0 234.303 0.546 20 30 BCEDRO CNC(=O)CC[N@H+](C)CCC(C)(C)C#N ZINC000230363499 388824124 /nfs/dbraw/zinc/82/41/24/388824124.db2.gz IKLZEDIYZATECJ-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCCNc1ccccn1 ZINC000541016871 388836667 /nfs/dbraw/zinc/83/66/67/388836667.db2.gz NDAJFOXZNXDESD-JTQLQIEISA-N 1 0 247.302 0.952 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CCC[N@@H+](C)C2)nn1 ZINC000648771508 388859602 /nfs/dbraw/zinc/85/96/02/388859602.db2.gz XNQVCABHTQJJPS-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)nn1 ZINC000648771509 388860043 /nfs/dbraw/zinc/86/00/43/388860043.db2.gz XNQVCABHTQJJPS-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO CC#CCCNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000541746411 388865759 /nfs/dbraw/zinc/86/57/59/388865759.db2.gz OWJGIELYEQWWRS-LLVKDONJSA-N 1 0 240.372 0.953 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000649186578 388897847 /nfs/dbraw/zinc/89/78/47/388897847.db2.gz AHIQXQFZMWDUSX-VXGBXAGGSA-N 1 0 240.347 0.463 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC000649187962 388898301 /nfs/dbraw/zinc/89/83/01/388898301.db2.gz AGFXAINXHWWOKJ-NSHDSACASA-N 1 0 226.320 0.217 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)C[NH+](CC)CC ZINC000649187515 388898767 /nfs/dbraw/zinc/89/87/67/388898767.db2.gz RJNIHPVMQFIVSQ-NSHDSACASA-N 1 0 226.320 0.219 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC[N@H+](C)C1CC1 ZINC000541945620 388878466 /nfs/dbraw/zinc/87/84/66/388878466.db2.gz KMRTZKMVUKWZHS-SECBINFHSA-N 1 0 224.308 0.539 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000564979786 388905504 /nfs/dbraw/zinc/90/55/04/388905504.db2.gz WCQUFFFXXJTJTB-CYBMUJFWSA-N 1 0 237.274 0.314 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCCCF ZINC000565770604 388967148 /nfs/dbraw/zinc/96/71/48/388967148.db2.gz AWKHPDREVLSQPT-LLVKDONJSA-N 1 0 231.315 0.532 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC000565489038 388948481 /nfs/dbraw/zinc/94/84/81/388948481.db2.gz KGVKEURMRTVGIV-QJPTWQEYSA-N 1 0 244.335 0.681 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC000565489037 388949180 /nfs/dbraw/zinc/94/91/80/388949180.db2.gz KGVKEURMRTVGIV-IJLUTSLNSA-N 1 0 244.335 0.681 20 30 BCEDRO CC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153247054 388955860 /nfs/dbraw/zinc/95/58/60/388955860.db2.gz YDKKJMWAHIHSON-UHFFFAOYSA-N 1 0 207.281 0.748 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@](C)(C[NH3+])C2)C1=O ZINC000565950504 388980202 /nfs/dbraw/zinc/98/02/02/388980202.db2.gz GCQSYAQYDBGZSL-WCQYABFASA-N 1 0 237.347 0.444 20 30 BCEDRO CC(C)OCC[C@H](O)C[NH2+]C[C@H](C)C#N ZINC000566116989 388989169 /nfs/dbraw/zinc/98/91/69/388989169.db2.gz OJCMUZBRXFQRDK-MNOVXSKESA-N 1 0 214.309 0.912 20 30 BCEDRO C#C[C@@H](CC)NC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262891795 533236531 /nfs/dbraw/zinc/23/65/31/533236531.db2.gz AGVSTZNJKKDWGW-UWVGGRQHSA-N 1 0 209.293 0.482 20 30 BCEDRO C[NH+]=C(NCCO)NC[C@@H]1CCCS1 ZINC000261948289 533478035 /nfs/dbraw/zinc/47/80/35/533478035.db2.gz GOHCMNZIMJCVNB-QMMMGPOBSA-N 1 0 217.338 0.039 20 30 BCEDRO C=C(C)CC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000351878586 533484995 /nfs/dbraw/zinc/48/49/95/533484995.db2.gz DSTATHVZUZJYND-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO C=C(C)CCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335650913 533487347 /nfs/dbraw/zinc/48/73/47/533487347.db2.gz WFWOFIDFLQZIJM-MNOVXSKESA-N 1 0 223.320 0.956 20 30 BCEDRO COC(=O)CN(CC#N)CC[NH+]1CCCCC1 ZINC000174569336 533488307 /nfs/dbraw/zinc/48/83/07/533488307.db2.gz LNZSZDVVNVKDOG-UHFFFAOYSA-N 1 0 239.319 0.471 20 30 BCEDRO C=C(C)C[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121636111 533495039 /nfs/dbraw/zinc/49/50/39/533495039.db2.gz KULIYXLAKXCNDR-UHFFFAOYSA-N 1 0 246.376 0.918 20 30 BCEDRO C=C(C)CNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000335295323 533514206 /nfs/dbraw/zinc/51/42/06/533514206.db2.gz IIYJCPSIGVXGLD-UWVGGRQHSA-N 1 0 211.309 0.860 20 30 BCEDRO C[C@@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000282092906 132211897 /nfs/dbraw/zinc/21/18/97/132211897.db2.gz VKIJYJRVWXMNOV-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO N#Cc1cc(N2CCC([NH2+]CCO)CC2)ccn1 ZINC000290514559 132217012 /nfs/dbraw/zinc/21/70/12/132217012.db2.gz BAFORVLFCBAKMK-UHFFFAOYSA-N 1 0 246.314 0.504 20 30 BCEDRO C[C@H]1CN(c2cccc(C#N)n2)CC[N@@H+]1CCO ZINC000302396626 132263277 /nfs/dbraw/zinc/26/32/77/132263277.db2.gz JDVAQUROZFCOGS-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO C=CCOCC(=O)NC[C@@H](C)C[NH2+]C ZINC000308859200 133450720 /nfs/dbraw/zinc/45/07/20/133450720.db2.gz XRWBJCSECSDUJS-VIFPVBQESA-N 1 0 200.282 0.161 20 30 BCEDRO COC[C@H](O)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309048512 133453493 /nfs/dbraw/zinc/45/34/93/133453493.db2.gz PPLMEHOFQUSWET-HBNTYKKESA-N 1 0 212.293 0.666 20 30 BCEDRO COC[C@H](O)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309048511 133453546 /nfs/dbraw/zinc/45/35/46/133453546.db2.gz PPLMEHOFQUSWET-GMTAPVOTSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](NC(C)=O)C1 ZINC000246037653 133481977 /nfs/dbraw/zinc/48/19/77/133481977.db2.gz RCMGVBBMBBVJCR-OLZOCXBDSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCNC(=[NH2+])NCC1([C@@H](O)C(C)C)CC1 ZINC000271805017 133541517 /nfs/dbraw/zinc/54/15/17/133541517.db2.gz MCBJFDIMCCYGFZ-JTQLQIEISA-N 1 0 225.336 0.874 20 30 BCEDRO C#C[C@@H](NC(=[NH2+])N[C@H](C)COC)C(C)C ZINC000281100824 133557165 /nfs/dbraw/zinc/55/71/65/133557165.db2.gz WFXUVMKQOSWGLI-NXEZZACHSA-N 1 0 211.309 0.583 20 30 BCEDRO N#CCSCCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347310245 133824178 /nfs/dbraw/zinc/82/41/78/133824178.db2.gz MCBBJBLIEWKEKP-QWRGUYRKSA-N 1 0 244.360 0.451 20 30 BCEDRO Cc1cnccc1NC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000330343336 134005441 /nfs/dbraw/zinc/00/54/41/134005441.db2.gz BWOPYMDHDIEOKD-JZYVYDRUSA-N 1 0 233.271 0.783 20 30 BCEDRO Cn1cc(CN2C[C@H](F)C[C@@H]2CO)cc1C#N ZINC000336089708 134077780 /nfs/dbraw/zinc/07/77/80/134077780.db2.gz NZENSYJTFDXBKH-ZYHUDNBSSA-N 1 0 237.278 0.801 20 30 BCEDRO CCC[C@H]([NH2+]C(C)C)C(=O)NCC#CCO ZINC000352164893 134090494 /nfs/dbraw/zinc/09/04/94/134090494.db2.gz YOKBCTPWDKFFEU-NSHDSACASA-N 1 0 226.320 0.265 20 30 BCEDRO CC[N@H+](CCC(=O)N(C)CCC#N)C[C@H](C)O ZINC000352203068 134102864 /nfs/dbraw/zinc/10/28/64/134102864.db2.gz OUDVKMWZQPTXBQ-NSHDSACASA-N 1 0 241.335 0.451 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@H]([NH3+])C1 ZINC000333648464 134120227 /nfs/dbraw/zinc/12/02/27/134120227.db2.gz VLABAPNEIDGFNO-AXFHLTTASA-N 1 0 239.319 0.463 20 30 BCEDRO N#C[C@@H]1CCC[C@H]1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333793882 134135182 /nfs/dbraw/zinc/13/51/82/134135182.db2.gz MVTGXCIXTTVOFP-GARJFASQSA-N 1 0 236.319 0.730 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)N1CCN(C2CC2)CC1 ZINC000336244683 134140796 /nfs/dbraw/zinc/14/07/96/134140796.db2.gz LKSZYTGNYQNYSL-MFKMUULPSA-N 1 0 233.315 0.843 20 30 BCEDRO CS[C@H]1CN(C(=O)CC#N)C[C@@H]1[NH+](C)C ZINC000336310946 134143045 /nfs/dbraw/zinc/14/30/45/134143045.db2.gz KOPONDCYXMHSNN-IUCAKERBSA-N 1 0 227.333 0.404 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000334047347 134144218 /nfs/dbraw/zinc/14/42/18/134144218.db2.gz CTQZMSOPCNZTCE-GHMZBOCLSA-N 1 0 241.335 0.317 20 30 BCEDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)[C@H](C)C#N ZINC000352423835 134144701 /nfs/dbraw/zinc/14/47/01/134144701.db2.gz ZJMZSFYAFFZUJJ-NXEZZACHSA-N 1 0 247.364 0.548 20 30 BCEDRO N#CCC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336495592 134148449 /nfs/dbraw/zinc/14/84/49/134148449.db2.gz CSQAVEJYJUSUDA-NSHDSACASA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000352807116 134152725 /nfs/dbraw/zinc/15/27/25/134152725.db2.gz UEXNJHJWLZFOQF-VWYCJHECSA-N 1 0 221.304 0.699 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CC(C)(C)O ZINC000304718550 134159884 /nfs/dbraw/zinc/15/98/84/134159884.db2.gz NXAHXKJHUSEPIH-JTQLQIEISA-N 1 0 241.335 0.450 20 30 BCEDRO C[N@@H+](CC(=O)NCC#N)C[C@H]1CCCC[C@H]1O ZINC000305815094 134160562 /nfs/dbraw/zinc/16/05/62/134160562.db2.gz OABJLSMXWXRKCP-GHMZBOCLSA-N 1 0 239.319 0.109 20 30 BCEDRO CC#CCNC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000367157810 134164922 /nfs/dbraw/zinc/16/49/22/134164922.db2.gz JEPLIRQJTIDDHH-NSHDSACASA-N 1 0 206.289 0.468 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000354075236 134166458 /nfs/dbraw/zinc/16/64/58/134166458.db2.gz LIMVMIMHRCXRKL-VIFPVBQESA-N 1 0 209.293 0.699 20 30 BCEDRO CO[C@@H](C)C[N@H+](CC(=O)NCC#N)C(C)C ZINC000354365923 134168168 /nfs/dbraw/zinc/16/81/68/134168168.db2.gz FJTGYCLNYOFTOB-JTQLQIEISA-N 1 0 227.308 0.371 20 30 BCEDRO CC[N@H+](CCO)CCNC(=O)[C@](C)(C#N)CC ZINC000354752867 134169883 /nfs/dbraw/zinc/16/98/83/134169883.db2.gz FGWFAXBTBDBTCP-LBPRGKRZSA-N 1 0 241.335 0.357 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000355561487 134173785 /nfs/dbraw/zinc/17/37/85/134173785.db2.gz DZLMFYIFBZXRCO-WZRBSPASSA-N 1 0 240.347 0.912 20 30 BCEDRO C[C@@H](C#N)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000356290744 134177864 /nfs/dbraw/zinc/17/78/64/134177864.db2.gz DFBGQUPKFZDRFB-VIFPVBQESA-N 1 0 209.293 0.699 20 30 BCEDRO C=C[C@H](CO)NC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000356856872 134180687 /nfs/dbraw/zinc/18/06/87/134180687.db2.gz QLLCRBFXEOHQHU-ZJUUUORDSA-N 1 0 244.360 0.087 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCCC[NH+]1CCCC1 ZINC000357068846 134182054 /nfs/dbraw/zinc/18/20/54/134182054.db2.gz RJZGXJYAVPPPEP-LLVKDONJSA-N 1 0 241.335 0.318 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000357309354 134182571 /nfs/dbraw/zinc/18/25/71/134182571.db2.gz TYRMDTXNWUVLKA-WCQYABFASA-N 1 0 240.347 0.866 20 30 BCEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C#N ZINC000357787174 134185425 /nfs/dbraw/zinc/18/54/25/134185425.db2.gz GKEAFSLRNSSXAU-MNOVXSKESA-N 1 0 239.319 0.373 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000358127581 134186924 /nfs/dbraw/zinc/18/69/24/134186924.db2.gz PUDMHUGOXIDDBP-UWVGGRQHSA-N 1 0 221.304 0.913 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000360180377 134198975 /nfs/dbraw/zinc/19/89/75/134198975.db2.gz ISKDLCOZXNTQDQ-VIFPVBQESA-N 1 0 218.322 0.186 20 30 BCEDRO CC#CCCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000361353825 134204646 /nfs/dbraw/zinc/20/46/46/134204646.db2.gz VCLWRAKWPNGTCY-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C=C(C)CC[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361378489 134204986 /nfs/dbraw/zinc/20/49/86/134204986.db2.gz RGCCAHPFTKZVCE-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000361505391 134205759 /nfs/dbraw/zinc/20/57/59/134205759.db2.gz OCNJAHIZVATKMO-ZJUUUORDSA-N 1 0 239.319 0.250 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000361487081 134205769 /nfs/dbraw/zinc/20/57/69/134205769.db2.gz UHULOGONMVBMQV-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO CC[N@@H+](CC(=O)NCC#N)CC1CCC1 ZINC000361481748 134205852 /nfs/dbraw/zinc/20/58/52/134205852.db2.gz QIKXLIDFZFKWST-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C#CC[N@H+]1[C@@H]2CCCC[C@H]2C[C@H]1C(N)=O ZINC000361503897 134205872 /nfs/dbraw/zinc/20/58/72/134205872.db2.gz 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C[C@@H]1OCC[C@]1(O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309828941 134599534 /nfs/dbraw/zinc/59/95/34/134599534.db2.gz XZBMYNPXQPGAJA-USZNOCQGSA-N 1 0 224.304 0.808 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000336695471 134604466 /nfs/dbraw/zinc/60/44/66/134604466.db2.gz YXBYOBRZAGSYHK-GHMZBOCLSA-N 1 0 226.320 0.429 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C[NH3+])CCCC ZINC000336722260 134604599 /nfs/dbraw/zinc/60/45/99/134604599.db2.gz AQTVODJSJAJXQM-SNVBAGLBSA-N 1 0 214.309 0.823 20 30 BCEDRO CCCN(CC[NH+](C)C)C(=O)[C@H](C)C#N ZINC000041680733 134606046 /nfs/dbraw/zinc/60/60/46/134606046.db2.gz PQVJVAHOGLNJIE-SNVBAGLBSA-N 1 0 211.309 0.946 20 30 BCEDRO [NH2+]=C(NCCc1ccsc1)N1CCOCC1 ZINC000170903867 134879382 /nfs/dbraw/zinc/87/93/82/134879382.db2.gz YFQPGOUFULRZMN-UHFFFAOYSA-N 1 0 239.344 0.938 20 30 BCEDRO Cc1noc(C)c1CNC(=[NH2+])N1CCOCC1 ZINC000170911370 134879919 /nfs/dbraw/zinc/87/99/19/134879919.db2.gz VDXKRLVYZBMYPI-UHFFFAOYSA-N 1 0 238.291 0.438 20 30 BCEDRO 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135044726 /nfs/dbraw/zinc/04/47/26/135044726.db2.gz KLYVNKUNGHIBIG-WDEREUQCSA-N 1 0 223.320 0.946 20 30 BCEDRO CN1CC[C@H]([N@H+](C)[C@H]2CC[C@@H](C#N)C2)C1=O ZINC000339002139 135051870 /nfs/dbraw/zinc/05/18/70/135051870.db2.gz XHBKEPYPDXYUQC-VWYCJHECSA-N 1 0 221.304 0.841 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000339002214 135051876 /nfs/dbraw/zinc/05/18/76/135051876.db2.gz ZBMVFVYFLYWAPE-JTQLQIEISA-N 1 0 212.293 0.352 20 30 BCEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CCOCCC#N ZINC000339064453 135055363 /nfs/dbraw/zinc/05/53/63/135055363.db2.gz GGZKEWZNTSHVNU-RYUDHWBXSA-N 1 0 225.336 0.941 20 30 BCEDRO Cn1cc([C@H](CO)[NH2+][C@@H]2CC[C@H](C#N)C2)cn1 ZINC000339086278 135055537 /nfs/dbraw/zinc/05/55/37/135055537.db2.gz ZCNOUGXEWQPEGP-WCQGTBRESA-N 1 0 234.303 0.735 20 30 BCEDRO C[N@@H+]1CCN(CCOCCC#N)C(C)(C)C1 ZINC000339060861 135055571 /nfs/dbraw/zinc/05/55/71/135055571.db2.gz YRAAAAOGOPKZRV-UHFFFAOYSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CCOCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000356273165 135056112 /nfs/dbraw/zinc/05/61/12/135056112.db2.gz FIUFUCKZPUVJBR-UHFFFAOYSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCOCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000339089035 135056726 /nfs/dbraw/zinc/05/67/26/135056726.db2.gz POSCPXUORFSCAU-LBPRGKRZSA-N 1 0 226.320 0.205 20 30 BCEDRO C=CCOCCN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000339090066 135058578 /nfs/dbraw/zinc/05/85/78/135058578.db2.gz BAJFAKAWVHFAHQ-STQMWFEESA-N 1 0 242.363 0.576 20 30 BCEDRO CC#CCN(C)S(=O)(=O)CC[NH+](CC)CC ZINC000339127052 135059130 /nfs/dbraw/zinc/05/91/30/135059130.db2.gz AJTDNIUAAHQWQV-UHFFFAOYSA-N 1 0 246.376 0.613 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000339119548 135059765 /nfs/dbraw/zinc/05/97/65/135059765.db2.gz SCGYCHLAKIDNTI-SDDRHHMPSA-N 1 0 238.331 0.775 20 30 BCEDRO COC[C@@H](C(N)=O)[N@H+](C)CCCSCC#N ZINC000339356148 135071919 /nfs/dbraw/zinc/07/19/19/135071919.db2.gz BCMPFIHOVGUQDA-VIFPVBQESA-N 1 0 245.348 0.065 20 30 BCEDRO CC[N@@H+]1CC[C@@H]2OCCN(CC#N)[C@@H]2C1 ZINC000339384259 135072784 /nfs/dbraw/zinc/07/27/84/135072784.db2.gz GBRAOUYEYKFYJJ-MNOVXSKESA-N 1 0 209.293 0.305 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)C1CC(O)C1 ZINC000332005651 135073033 /nfs/dbraw/zinc/07/30/33/135073033.db2.gz GNMSKTAZBXSYOB-XNWIYYODSA-N 1 0 212.293 0.132 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CC)[C@H](C)CO)C1=O ZINC000339634576 135076891 /nfs/dbraw/zinc/07/68/91/135076891.db2.gz ZLCYKRSNYIIEEU-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CCC(OCCO)CC1 ZINC000339773804 135082542 /nfs/dbraw/zinc/08/25/42/135082542.db2.gz APLKHNHGFGSJEC-GFCCVEGCSA-N 1 0 243.347 0.787 20 30 BCEDRO CN(CC#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000339981969 135092924 /nfs/dbraw/zinc/09/29/24/135092924.db2.gz QJEPXVGJQDBSFR-VIFPVBQESA-N 1 0 227.333 0.406 20 30 BCEDRO Cc1nn(C)c(C)c1CNC1=[NH+]C[C@H](C)N1 ZINC000261569708 135109464 /nfs/dbraw/zinc/10/94/64/135109464.db2.gz GLSWCXJLKHPVMB-ZETCQYMHSA-N 1 0 221.308 0.474 20 30 BCEDRO CNC(=[NH2+])N1CCN(c2cccs2)CC1 ZINC000261661311 135111176 /nfs/dbraw/zinc/11/11/76/135111176.db2.gz AUFDEWMWDSFIRV-UHFFFAOYSA-N 1 0 224.333 0.815 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccsc1 ZINC000261890378 135111822 /nfs/dbraw/zinc/11/18/22/135111822.db2.gz SWSHYQHDBCFSOT-UHFFFAOYSA-N 1 0 213.306 0.799 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cnn(C)c1 ZINC000261976333 135113195 /nfs/dbraw/zinc/11/31/95/135113195.db2.gz GFHONTZKFFKDRR-UHFFFAOYSA-N 1 0 207.281 0.401 20 30 BCEDRO C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1C[C@H]1C ZINC000261945108 135113389 /nfs/dbraw/zinc/11/33/89/135113389.db2.gz FQIXOHQIHKEWRE-APPZFPTMSA-N 1 0 236.323 0.197 20 30 BCEDRO CN(C)C(=[NH+]CCc1cnn(C)c1)N(C)C ZINC000262012755 135114849 /nfs/dbraw/zinc/11/48/49/135114849.db2.gz UWSOEKLRSVWJPM-UHFFFAOYSA-N 1 0 223.324 0.442 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCCS1)N1CCOCC1 ZINC000262207309 135116489 /nfs/dbraw/zinc/11/64/89/135116489.db2.gz IHKQZSDPQOTOQQ-JTQLQIEISA-N 1 0 243.376 0.919 20 30 BCEDRO Cc1cnn(CCNC(=[NH2+])N(C)C2CC2)c1 ZINC000262279893 135118023 /nfs/dbraw/zinc/11/80/23/135118023.db2.gz VLZLBZDNIXLTHT-UHFFFAOYSA-N 1 0 221.308 0.600 20 30 BCEDRO CN(C)c1cccnc1CNC(=[NH2+])NC1CC1 ZINC000262343023 135118062 /nfs/dbraw/zinc/11/80/62/135118062.db2.gz CYCUXWRGYCDMPU-UHFFFAOYSA-N 1 0 233.319 0.714 20 30 BCEDRO CNC(NCc1ncnn1-c1ccccc1)=[NH+]C ZINC000262428899 135118839 /nfs/dbraw/zinc/11/88/39/135118839.db2.gz WEIRXTYGAQKOJE-UHFFFAOYSA-N 1 0 244.302 0.562 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1cncn1C ZINC000262415930 135119031 /nfs/dbraw/zinc/11/90/31/135119031.db2.gz YYBNBRVAULKEKJ-QMMMGPOBSA-N 1 0 209.297 0.623 20 30 BCEDRO COc1ccc([C@H](O)CNC2=[NH+]CCN2C)cc1 ZINC000262419807 135119085 /nfs/dbraw/zinc/11/90/85/135119085.db2.gz BBCFOPAVIQYMRN-GFCCVEGCSA-N 1 0 249.314 0.620 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCC[C@H]1O)Nc1ccccn1 ZINC000262551974 135119639 /nfs/dbraw/zinc/11/96/39/135119639.db2.gz YVFDDJVDADMCSL-NXEZZACHSA-N 1 0 234.303 0.969 20 30 BCEDRO COc1ccc([C@H](O)CNC2=[NH+]C[C@H](C)N2)cc1 ZINC000262635760 135119750 /nfs/dbraw/zinc/11/97/50/135119750.db2.gz GUXVYGNRTIYYAC-JOYOIKCWSA-N 1 0 249.314 0.666 20 30 BCEDRO COc1ccncc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262636439 135120494 /nfs/dbraw/zinc/12/04/94/135120494.db2.gz ICOSCLFFMLBQBZ-MRVPVSSYSA-N 1 0 220.276 0.528 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@]2(O)CCc3ccccc32)N1 ZINC000262670028 135120569 /nfs/dbraw/zinc/12/05/69/135120569.db2.gz QOFVNMBVAMDUAQ-YGRLFVJLSA-N 1 0 245.326 0.758 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2cn3c(n2)CCCC3)N1 ZINC000262644620 135120719 /nfs/dbraw/zinc/12/07/19/135120719.db2.gz ISVJHADJETWRRO-SECBINFHSA-N 1 0 233.319 0.657 20 30 BCEDRO CCn1cc(CNC(=[NH2+])N2CCOCC2)cn1 ZINC000262649573 135120746 /nfs/dbraw/zinc/12/07/46/135120746.db2.gz KBEVMRXZUZOGON-UHFFFAOYSA-N 1 0 237.307 0.050 20 30 BCEDRO CN1CC[NH+]=C1NCc1cn2c(n1)CCCC2 ZINC000262679426 135121013 /nfs/dbraw/zinc/12/10/13/135121013.db2.gz VLRPQNKUNPBFLP-UHFFFAOYSA-N 1 0 233.319 0.610 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@](C)(O)c2cccs2)N1 ZINC000262681240 135121216 /nfs/dbraw/zinc/12/12/16/135121216.db2.gz WFDTUROIBFIBEC-GZMMTYOYSA-N 1 0 239.344 0.893 20 30 BCEDRO C[NH+]=C(NC1CCC1)N(C)Cc1cnn(C)c1 ZINC000262770592 135122143 /nfs/dbraw/zinc/12/21/43/135122143.db2.gz HPYGTOVNXNTYCW-UHFFFAOYSA-N 1 0 235.335 0.980 20 30 BCEDRO C[NH+]=C(NCc1c(C)nn(C)c1C)N(C)C ZINC000262860928 135122621 /nfs/dbraw/zinc/12/26/21/135122621.db2.gz ZFOZJEBNKLZBHD-UHFFFAOYSA-N 1 0 223.324 0.674 20 30 BCEDRO CC(=O)Nc1ccc(CNC(=[NH2+])NC2CC2)cn1 ZINC000262852170 135122622 /nfs/dbraw/zinc/12/26/22/135122622.db2.gz SLWVNUCXYOTTKT-UHFFFAOYSA-N 1 0 247.302 0.607 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1([S@](C)=O)CC1 ZINC000262820007 135122697 /nfs/dbraw/zinc/12/26/97/135122697.db2.gz XUQVBYOEDPWNMD-HNNXBMFYSA-N 1 0 229.349 0.378 20 30 BCEDRO C[NH+]=C(N[C@@H]1CCN(C2CC2)C1)N(C)C ZINC000262818274 135122734 /nfs/dbraw/zinc/12/27/34/135122734.db2.gz SACZKNXCXNAXRU-SECBINFHSA-N 1 0 210.325 0.360 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccc(Cl)cn1 ZINC000263141568 135125218 /nfs/dbraw/zinc/12/52/18/135125218.db2.gz JTAVVTPRHYVMRQ-UHFFFAOYSA-N 1 0 242.710 0.786 20 30 BCEDRO C[NH+]=C(NCc1nncn1C)NC1CCCC1 ZINC000263229935 135126231 /nfs/dbraw/zinc/12/62/31/135126231.db2.gz HVRXCIYHFSEVSA-UHFFFAOYSA-N 1 0 236.323 0.423 20 30 BCEDRO C[C@H](CO)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000253624870 135127781 /nfs/dbraw/zinc/12/77/81/135127781.db2.gz XOWQLBHGAMKYSZ-BXKDBHETSA-N 1 0 239.319 0.107 20 30 BCEDRO [NH2+]=C(NCc1cccc(O)c1)NC1CC1 ZINC000264055074 135130123 /nfs/dbraw/zinc/13/01/23/135130123.db2.gz AJYKCLRDSRAFMM-UHFFFAOYSA-N 1 0 205.261 0.959 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](C)N(C)C ZINC000264044542 135130345 /nfs/dbraw/zinc/13/03/45/135130345.db2.gz JWFXDDNNUHLJLO-SNVBAGLBSA-N 1 0 238.335 0.895 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NC[C@H](C)N(C)C ZINC000264044541 135130350 /nfs/dbraw/zinc/13/03/50/135130350.db2.gz JWFXDDNNUHLJLO-JTQLQIEISA-N 1 0 238.335 0.895 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](O)c1ccccc1 ZINC000264058926 135131141 /nfs/dbraw/zinc/13/11/41/135131141.db2.gz BXTXFGWUWUDTTB-LLVKDONJSA-N 1 0 219.288 0.810 20 30 BCEDRO CNC(NC[C@H](O)c1ccc(OC)cc1)=[NH+]C ZINC000264068195 135131204 /nfs/dbraw/zinc/13/12/04/135131204.db2.gz CADFWDYJTQBXFQ-NSHDSACASA-N 1 0 237.303 0.523 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@H](O)c1ccccc1F ZINC000264071807 135131212 /nfs/dbraw/zinc/13/12/12/135131212.db2.gz DLNOHHYBBGHWAP-JTQLQIEISA-N 1 0 225.267 0.735 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)c1cccc(F)c1 ZINC000264067028 135131275 /nfs/dbraw/zinc/13/12/75/135131275.db2.gz BOLRURURTJOIFB-VIFPVBQESA-N 1 0 211.240 0.393 20 30 BCEDRO NC(=[NH2+])NC[C@H]1CCN(c2ccccc2)C1 ZINC000264068789 135131332 /nfs/dbraw/zinc/13/13/32/135131332.db2.gz CNURVIQBBXHTNL-SNVBAGLBSA-N 1 0 218.304 0.786 20 30 BCEDRO [NH2+]=C(NCCO)Nc1ccc2c(c1)CCC2 ZINC000264079143 135131781 /nfs/dbraw/zinc/13/17/81/135131781.db2.gz IAAXUMGUNBVCQU-UHFFFAOYSA-N 1 0 219.288 0.894 20 30 BCEDRO CCOC(=O)c1ccc(CNC(=[NH2+])NC)cc1 ZINC000264083104 135131818 /nfs/dbraw/zinc/13/18/18/135131818.db2.gz ICEYEIZVYSVRQY-UHFFFAOYSA-N 1 0 235.287 0.897 20 30 BCEDRO CNC(NCCn1cnc2ccccc21)=[NH+]C ZINC000264110405 135133805 /nfs/dbraw/zinc/13/38/05/135133805.db2.gz OSAPZTVDVSILMF-UHFFFAOYSA-N 1 0 231.303 0.831 20 30 BCEDRO CCNC(=[NH2+])NCC(=O)Nc1cccc(F)c1 ZINC000264125195 135134421 /nfs/dbraw/zinc/13/44/21/135134421.db2.gz WFLJMLWGNJKPLL-UHFFFAOYSA-N 1 0 238.266 0.688 20 30 BCEDRO CC1CCN(C(=[NH2+])NCc2cnn(C)c2)CC1 ZINC000264125194 135134596 /nfs/dbraw/zinc/13/45/96/135134596.db2.gz WFGDWZINKYTOCH-UHFFFAOYSA-N 1 0 235.335 0.967 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(-n2ccnc2C)nc1 ZINC000264128476 135134919 /nfs/dbraw/zinc/13/49/19/135134919.db2.gz XEFNMGJUIGNFOL-UHFFFAOYSA-N 1 0 244.302 0.610 20 30 BCEDRO CNC(=[NH2+])NCc1cc([N+](=O)[O-])ccc1OC ZINC000264136831 135135112 /nfs/dbraw/zinc/13/51/12/135135112.db2.gz ZZJQPHMUMPLZRN-UHFFFAOYSA-N 1 0 238.247 0.638 20 30 BCEDRO C=CCNC(=O)[C@H](C)N(C)CCC[NH2+]C ZINC000087472780 135142212 /nfs/dbraw/zinc/14/22/12/135142212.db2.gz CYAAAXWRLREJEV-JTQLQIEISA-N 1 0 213.325 0.218 20 30 BCEDRO C[NH+]1CCC(C(=O)N2CCOC[C@@H]2C#N)CC1 ZINC000259894404 135145448 /nfs/dbraw/zinc/14/54/48/135145448.db2.gz OZGFWCLVBSTRCA-NSHDSACASA-N 1 0 237.303 0.079 20 30 BCEDRO C[NH+]1CCC(C(=O)N2CCOC[C@H]2C#N)CC1 ZINC000259894403 135145560 /nfs/dbraw/zinc/14/55/60/135145560.db2.gz OZGFWCLVBSTRCA-LLVKDONJSA-N 1 0 237.303 0.079 20 30 BCEDRO CNC(NC[C@](C)(O)c1cccs1)=[NH+]C ZINC000265793955 135146220 /nfs/dbraw/zinc/14/62/20/135146220.db2.gz OSOVSXCPZYFUSF-JTQLQIEISA-N 1 0 227.333 0.750 20 30 BCEDRO CNC(=[NH2+])NC[C@@](C)(O)c1ccsc1 ZINC000265867321 135146447 /nfs/dbraw/zinc/14/64/47/135146447.db2.gz FTHJGXVZYGNUKB-SECBINFHSA-N 1 0 213.306 0.490 20 30 BCEDRO CN1CC[NH+]=C1NCCc1nccs1 ZINC000261528761 135153979 /nfs/dbraw/zinc/15/39/79/135153979.db2.gz NMGIRDILQVKOCS-UHFFFAOYSA-N 1 0 210.306 0.577 20 30 BCEDRO C=CCNC(=[NH2+])NCCC(=O)OC(C)(C)C ZINC000267431734 135154173 /nfs/dbraw/zinc/15/41/73/135154173.db2.gz MUSWIZWNBSGXEE-UHFFFAOYSA-N 1 0 227.308 0.809 20 30 BCEDRO CNC(=[NH2+])NCCCNC(=O)c1occc1C ZINC000267414312 135154300 /nfs/dbraw/zinc/15/43/00/135154300.db2.gz IXPHFKLAILYOIA-UHFFFAOYSA-N 1 0 238.291 0.242 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCn1cc(C)cn1 ZINC000267429194 135154341 /nfs/dbraw/zinc/15/43/41/135154341.db2.gz MEHMOCCYNUVCRB-SNVBAGLBSA-N 1 0 239.323 0.131 20 30 BCEDRO COc1cccc([C@@H](O)CNC(N)=[NH2+])c1 ZINC000267448606 135154631 /nfs/dbraw/zinc/15/46/31/135154631.db2.gz QRBAERSARNPEJU-VIFPVBQESA-N 1 0 209.249 0.002 20 30 BCEDRO CNC(NCc1cccc(-n2cncn2)c1)=[NH+]C ZINC000267450484 135154902 /nfs/dbraw/zinc/15/49/02/135154902.db2.gz RHWVLKZGGDOOMP-UHFFFAOYSA-N 1 0 244.302 0.562 20 30 BCEDRO COCC1(CNC(=[NH2+])NC2CC2)CCC1 ZINC000261529224 135154970 /nfs/dbraw/zinc/15/49/70/135154970.db2.gz AKQCQNVFVJEXKK-UHFFFAOYSA-N 1 0 211.309 0.870 20 30 BCEDRO CNC(NC[C@@H](CO)c1ccccc1)=[NH+]C ZINC000267464634 135155036 /nfs/dbraw/zinc/15/50/36/135155036.db2.gz WCEIYOBKUYPWOP-NSHDSACASA-N 1 0 221.304 0.557 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000268088316 135157399 /nfs/dbraw/zinc/15/73/99/135157399.db2.gz RZVZMDHJPSEHHG-LLVKDONJSA-N 1 0 241.335 0.662 20 30 BCEDRO Cc1nc(CCNC2=[NH+]C[C@@H](C)N2)cs1 ZINC000261531250 135159816 /nfs/dbraw/zinc/15/98/16/135159816.db2.gz FWAWHFWKMJKMPJ-SSDOTTSWSA-N 1 0 224.333 0.931 20 30 BCEDRO Cc1cccc([C@@H](O)CNC(=[NH2+])N(C)C)c1 ZINC000268994557 135163511 /nfs/dbraw/zinc/16/35/11/135163511.db2.gz WBOKFZBZEKZGKO-NSHDSACASA-N 1 0 221.304 0.905 20 30 BCEDRO CNC(NC[C@@]1(O)CCc2ccccc21)=[NH+]C ZINC000269701501 135167382 /nfs/dbraw/zinc/16/73/82/135167382.db2.gz MPBQLLWLOXAMDL-ZDUSSCGKSA-N 1 0 233.315 0.615 20 30 BCEDRO Cc1nccn1CCNC1=[NH+]CCN1C ZINC000261534756 135167545 /nfs/dbraw/zinc/16/75/45/135167545.db2.gz MYRXFLFHAQUGIV-UHFFFAOYSA-N 1 0 207.281 0.083 20 30 BCEDRO CCCNC(=[NH2+])NCc1cccc(N(C)C)n1 ZINC000269920373 135167971 /nfs/dbraw/zinc/16/79/71/135167971.db2.gz AIHQBGFKUHGIRS-UHFFFAOYSA-N 1 0 235.335 0.962 20 30 BCEDRO COCCC1(CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000261535608 135170376 /nfs/dbraw/zinc/17/03/76/135170376.db2.gz OTRFNWCIPWEGOO-SECBINFHSA-N 1 0 211.309 0.740 20 30 BCEDRO CN1CC[NH+]=C1NCC1(CO)CCCC1 ZINC000261537636 135174792 /nfs/dbraw/zinc/17/47/92/135174792.db2.gz VXMHTPOLMDFVHY-UHFFFAOYSA-N 1 0 211.309 0.430 20 30 BCEDRO C=CCN(C)C(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000261538092 135175373 /nfs/dbraw/zinc/17/53/73/135175373.db2.gz XLAISEOFUAGCOF-NSHDSACASA-N 1 0 212.293 0.257 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)N[C@]1(C#N)CC1(C)C ZINC000292495044 135176673 /nfs/dbraw/zinc/17/66/73/135176673.db2.gz OPGUOFAXSSIQTF-FYJFLYSWSA-N 1 0 221.304 0.913 20 30 BCEDRO COCCC1(CNC2=[NH+]CCN2C)CC1 ZINC000261538563 135176700 /nfs/dbraw/zinc/17/67/00/135176700.db2.gz YNPKDTVLXDXCBR-UHFFFAOYSA-N 1 0 211.309 0.694 20 30 BCEDRO CN1CC[NH+]=C1NCc1cccc2c1OCO2 ZINC000261544974 135186256 /nfs/dbraw/zinc/18/62/56/135186256.db2.gz FLFQTNNYCPGHCU-UHFFFAOYSA-N 1 0 233.271 0.806 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000261548885 135187604 /nfs/dbraw/zinc/18/76/04/135187604.db2.gz OAGSJIIZFZFDSA-VHSXEESVSA-N 1 0 232.349 0.575 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000261548881 135187919 /nfs/dbraw/zinc/18/79/19/135187919.db2.gz OAGSJIIZFZFDSA-NXEZZACHSA-N 1 0 232.349 0.575 20 30 BCEDRO C=CCOCC(=O)N(C)C1CC[NH2+]CC1 ZINC000261554258 135194037 /nfs/dbraw/zinc/19/40/37/135194037.db2.gz UCVZFEOUAPLGPX-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCCS(=O)(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000261556799 135196782 /nfs/dbraw/zinc/19/67/82/135196782.db2.gz WIKNFUVXIQFZGK-SNVBAGLBSA-N 1 0 232.349 0.561 20 30 BCEDRO C=CCOCC(=O)NCC1=CC[NH2+]CC1 ZINC000261558967 135199441 /nfs/dbraw/zinc/19/94/41/135199441.db2.gz YRZIEVHOAJFEST-UHFFFAOYSA-N 1 0 210.277 0.225 20 30 BCEDRO CC[C@H](C(=O)N(CCC#N)CCC#N)[NH+](C)C ZINC000298890390 135200934 /nfs/dbraw/zinc/20/09/34/135200934.db2.gz LZLXJIWKPVAXGS-LLVKDONJSA-N 1 0 236.319 0.983 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCC([NH2+]C)CC1 ZINC000261562378 135203596 /nfs/dbraw/zinc/20/35/96/135203596.db2.gz BGDFUETZCBEAKU-SNVBAGLBSA-N 1 0 225.336 0.361 20 30 BCEDRO CC[C@@H](C)NC(=O)CCNC1=[NH+]CCN1C ZINC000261578207 135219158 /nfs/dbraw/zinc/21/91/58/135219158.db2.gz LOIYNTDXTMPACN-SECBINFHSA-N 1 0 226.324 0.182 20 30 BCEDRO CCCNC(=O)[C@H](C)N(C)C[C@@H](C)C#N ZINC000042324471 135221097 /nfs/dbraw/zinc/22/10/97/135221097.db2.gz ZHAAMPMPGQFEQJ-UWVGGRQHSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H](C#N)CN(C)[C@@H](C)C(=O)NC1CC1 ZINC000042324543 135221247 /nfs/dbraw/zinc/22/12/47/135221247.db2.gz ZTEJLIQQVGCAEK-IUCAKERBSA-N 1 0 209.293 0.745 20 30 BCEDRO C=CCCS(=O)(=O)N(C)CC[NH+](C)C ZINC000121194769 135222419 /nfs/dbraw/zinc/22/24/19/135222419.db2.gz AUSAPVOCAOUCRR-UHFFFAOYSA-N 1 0 220.338 0.386 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000121336681 135222728 /nfs/dbraw/zinc/22/27/28/135222728.db2.gz BUSSPBHXGWBAPZ-LLVKDONJSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CC[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000121375474 135223477 /nfs/dbraw/zinc/22/34/77/135223477.db2.gz UDLZUZFTOHUQCI-UHFFFAOYSA-N 1 0 237.259 0.874 20 30 BCEDRO Cc1nccn1CCNC(=[NH2+])NCC(C)C ZINC000261587253 135228403 /nfs/dbraw/zinc/22/84/03/135228403.db2.gz RPELCZQLSCNZCQ-UHFFFAOYSA-N 1 0 223.324 0.752 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2ccc(O)cc2)N1 ZINC000261588540 135229432 /nfs/dbraw/zinc/22/94/32/135229432.db2.gz SKOJDQDONCKJHD-SECBINFHSA-N 1 0 219.288 0.872 20 30 BCEDRO C[C@@H](CN1CCOCC1)[NH+]1CCC(C#N)CC1 ZINC000340936514 135231298 /nfs/dbraw/zinc/23/12/98/135231298.db2.gz HDXWZQNCXQOCGT-LBPRGKRZSA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nnc2n1CCCC2 ZINC000261693341 135245949 /nfs/dbraw/zinc/24/59/49/135245949.db2.gz BKAFXDJRSOBBOI-UHFFFAOYSA-N 1 0 234.307 0.205 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@H]1CCCOC1 ZINC000261736498 135249407 /nfs/dbraw/zinc/24/94/07/135249407.db2.gz HXLXBPVHJLYAPF-GHMZBOCLSA-N 1 0 241.335 0.496 20 30 BCEDRO Cc1cc(CNC(=[NH2+])NC(C)(C)C)n(C)n1 ZINC000261754418 135250062 /nfs/dbraw/zinc/25/00/62/135250062.db2.gz KIWJIQFBUZRAFM-UHFFFAOYSA-N 1 0 223.324 0.931 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC000342164014 135251391 /nfs/dbraw/zinc/25/13/91/135251391.db2.gz PAONXXUGATXJFR-LLVKDONJSA-N 1 0 240.347 0.629 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000342171193 135251935 /nfs/dbraw/zinc/25/19/35/135251935.db2.gz ZWRKOSXMGQCPTA-NEPJUHHUSA-N 1 0 242.363 0.873 20 30 BCEDRO C=CCNC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000342207884 135252947 /nfs/dbraw/zinc/25/29/47/135252947.db2.gz UPBXNABUAVPOLY-ZJUUUORDSA-N 1 0 211.309 0.954 20 30 BCEDRO C[C@@H]1CCC[C@]1(O)CNC(=[NH2+])NC1CC1 ZINC000261803476 135254302 /nfs/dbraw/zinc/25/43/02/135254302.db2.gz AIUHZVMLARCSRA-KCJUWKMLSA-N 1 0 211.309 0.604 20 30 BCEDRO [NH2+]=C(NCCc1cn2c(n1)CCCC2)NC1CC1 ZINC000261886336 135259586 /nfs/dbraw/zinc/25/95/86/135259586.db2.gz SBJGDWZQAIHYGB-UHFFFAOYSA-N 1 0 247.346 0.829 20 30 BCEDRO [NH2+]=C(NCCc1ccccn1)NC[C@H]1CCCO1 ZINC000261899256 135261220 /nfs/dbraw/zinc/26/12/20/135261220.db2.gz VOFJSNVJSGVIEK-GFCCVEGCSA-N 1 0 248.330 0.707 20 30 BCEDRO CN/C(=[NH+]/C)N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261914719 135263004 /nfs/dbraw/zinc/26/30/04/135263004.db2.gz JTKBTIVZVAWCKR-UHFFFAOYSA-N 1 0 240.351 0.523 20 30 BCEDRO CC#CCC[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342361833 135263071 /nfs/dbraw/zinc/26/30/71/135263071.db2.gz BEVNGSJUCQBGRX-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO CNC(NCc1noc(C2CC2)n1)=[NH+]C ZINC000261974480 135267904 /nfs/dbraw/zinc/26/79/04/135267904.db2.gz UYXGVTJDGCBJAH-UHFFFAOYSA-N 1 0 209.253 0.242 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCCS(C)(=O)=O)C1 ZINC000261987661 135269633 /nfs/dbraw/zinc/26/96/33/135269633.db2.gz KMEUMMYDQQUKAQ-VIFPVBQESA-N 1 0 247.364 0.078 20 30 BCEDRO Cn1cc(CNC(=[NH2+])NCC2CCC2)cn1 ZINC000262000416 135271688 /nfs/dbraw/zinc/27/16/88/135271688.db2.gz PIXMNODDQRBOQW-UHFFFAOYSA-N 1 0 221.308 0.625 20 30 BCEDRO CN(C)C(=[NH+]CC(=O)Nc1cccnc1)N(C)C ZINC000262019641 135273251 /nfs/dbraw/zinc/27/32/51/135273251.db2.gz XKAYNTRGTSJMHN-UHFFFAOYSA-N 1 0 249.318 0.499 20 30 BCEDRO C[C@@H]1COCCN1CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000342507954 135284860 /nfs/dbraw/zinc/28/48/60/135284860.db2.gz ZYWUDCBNTQQXJO-UPJWGTAASA-N 1 0 237.347 0.989 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000262195992 135285469 /nfs/dbraw/zinc/28/54/69/135285469.db2.gz JZKNJGNZEFDNNB-NXEZZACHSA-N 1 0 211.309 0.989 20 30 BCEDRO CN(C(=[NH2+])NCC[S@](=O)C(C)(C)C)C1CC1 ZINC000262249053 135288397 /nfs/dbraw/zinc/28/83/97/135288397.db2.gz PEVARRZTRRFSEH-INIZCTEOSA-N 1 0 245.392 0.943 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCCS1(=O)=O)NC1CC1 ZINC000262247903 135288484 /nfs/dbraw/zinc/28/84/84/135288484.db2.gz PBUNVEQIZUVRIV-VIFPVBQESA-N 1 0 245.348 0.020 20 30 BCEDRO CN1CC[NH+]=C1NC[C@H]1CCC(C)(C)O1 ZINC000262201026 135290025 /nfs/dbraw/zinc/29/00/25/135290025.db2.gz AVTCLBDMYBENMC-SECBINFHSA-N 1 0 211.309 0.835 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCC2=CCCOC2)CCO1 ZINC000262301229 135291642 /nfs/dbraw/zinc/29/16/42/135291642.db2.gz KORKDEBWRBPSLR-JTQLQIEISA-N 1 0 239.319 0.369 20 30 BCEDRO Cc1nnc(CCNC2=[NH+]CCN2C)s1 ZINC000262307592 135292209 /nfs/dbraw/zinc/29/22/09/135292209.db2.gz PAWDEVPCNPVQHO-UHFFFAOYSA-N 1 0 225.321 0.280 20 30 BCEDRO CN(C)C(=[NH+]Cc1nnc2n1CCC2)N(C)C ZINC000262330136 135293331 /nfs/dbraw/zinc/29/33/31/135293331.db2.gz RNVFHZOEOJECPZ-UHFFFAOYSA-N 1 0 236.323 0.204 20 30 BCEDRO CN(C(=[NH2+])NCC1=CCCOC1)C1CC1 ZINC000262321647 135293417 /nfs/dbraw/zinc/29/34/17/135293417.db2.gz RROPOXNQKMIXHQ-UHFFFAOYSA-N 1 0 209.293 0.742 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2cncn2C)C1 ZINC000262343109 135293698 /nfs/dbraw/zinc/29/36/98/135293698.db2.gz DCFOJIPNPWYTJG-SNVBAGLBSA-N 1 0 235.335 0.967 20 30 BCEDRO CCCNC(=[NH2+])NC[C@@H]1COC2(CCCC2)O1 ZINC000262347817 135294808 /nfs/dbraw/zinc/29/48/08/135294808.db2.gz ISHBREZLZVMDID-SNVBAGLBSA-N 1 0 241.335 0.986 20 30 BCEDRO C[C@]1(CNC(=[NH2+])N2CCOCC2)CCCS1 ZINC000262410605 135295622 /nfs/dbraw/zinc/29/56/22/135295622.db2.gz PFEOQVHCROPXJN-LLVKDONJSA-N 1 0 243.376 0.919 20 30 BCEDRO CN1CC[NH+]=C1NC[C@]1(C)CCCC[C@@H]1O ZINC000262419786 135296129 /nfs/dbraw/zinc/29/61/29/135296129.db2.gz BAZIWTANGSQNNW-JQWIXIFHSA-N 1 0 225.336 0.819 20 30 BCEDRO C=CCN(C)C(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000262421248 135296214 /nfs/dbraw/zinc/29/62/14/135296214.db2.gz RVDZGJALRCYLMJ-UHFFFAOYSA-N 1 0 220.276 0.313 20 30 BCEDRO CCO[C@H]1C[C@@H](NC(=[NH2+])NC)C12CCC2 ZINC000262416484 135296415 /nfs/dbraw/zinc/29/64/15/135296415.db2.gz MIQBUHASXVZLFC-BDAKNGLRSA-N 1 0 211.309 0.868 20 30 BCEDRO C=CCOCC(=O)NCC1(C)CC[NH2+]CC1 ZINC000342621740 135296657 /nfs/dbraw/zinc/29/66/57/135296657.db2.gz QZUKXJRVVJIIGK-UHFFFAOYSA-N 1 0 226.320 0.695 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@]1(N(C)C)CCSC1 ZINC000262431383 135297238 /nfs/dbraw/zinc/29/72/38/135297238.db2.gz FCQJLHKJCRLQQU-SNVBAGLBSA-N 1 0 230.381 0.300 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC1(S(C)(=O)=O)CC1 ZINC000262376289 135297555 /nfs/dbraw/zinc/29/75/55/135297555.db2.gz NBDGZDNDEOEITK-MRVPVSSYSA-N 1 0 247.364 0.266 20 30 BCEDRO C[NH+]=C(NC[C@H](O)c1ccc(C)o1)N(C)C ZINC000262380759 135297789 /nfs/dbraw/zinc/29/77/89/135297789.db2.gz LMRCRFLBSJQMSP-VIFPVBQESA-N 1 0 225.292 0.758 20 30 BCEDRO CCc1nnc(CNC(NC2CC2)=[NH+]C)s1 ZINC000262386345 135298233 /nfs/dbraw/zinc/29/82/33/135298233.db2.gz QDNVMBIITJDCRO-UHFFFAOYSA-N 1 0 239.348 0.928 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCS1)N1CCOCC1 ZINC000262384118 135298836 /nfs/dbraw/zinc/29/88/36/135298836.db2.gz KZLLLTWHOBNIDH-SECBINFHSA-N 1 0 229.349 0.529 20 30 BCEDRO CC[N@H+](CC(=O)NCCCC#N)C1CC1 ZINC000342635943 135299134 /nfs/dbraw/zinc/29/91/34/135299134.db2.gz KLEVAAZWXFFWCL-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C[C@@H]1C[C@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262446683 135299334 /nfs/dbraw/zinc/29/93/34/135299334.db2.gz IWPDTDOENJQBQR-BBBLOLIVSA-N 1 0 211.309 0.678 20 30 BCEDRO CN(C(=[NH2+])N[C@H]1CCn2ccnc2C1)C1CC1 ZINC000262460927 135300210 /nfs/dbraw/zinc/30/02/10/135300210.db2.gz JZYLZVBOYMIDQG-VIFPVBQESA-N 1 0 233.319 0.607 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCC2(CC#N)CC2)CCO1 ZINC000262454787 135300414 /nfs/dbraw/zinc/30/04/14/135300414.db2.gz RKTJCLJLUIMXDN-SNVBAGLBSA-N 1 0 236.319 0.716 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@H]2CCCOC2)CCO1 ZINC000262467127 135300726 /nfs/dbraw/zinc/30/07/26/135300726.db2.gz NYCVTBGNOIXJNU-WDEREUQCSA-N 1 0 241.335 0.448 20 30 BCEDRO CC(C)CNC(=[NH2+])NCC1(S(C)(=O)=O)CC1 ZINC000262474071 135300884 /nfs/dbraw/zinc/30/08/84/135300884.db2.gz PPOFFMGXHIRCFS-UHFFFAOYSA-N 1 0 247.364 0.124 20 30 BCEDRO CN(C(=[NH2+])NCc1ncccc1O)C1CC1 ZINC000262469247 135301000 /nfs/dbraw/zinc/30/10/00/135301000.db2.gz OJYSXTPNXIWHEY-UHFFFAOYSA-N 1 0 220.276 0.696 20 30 BCEDRO C[NH+]=C(NC[C@@]1(O)CCSC1)NC(C)(C)C ZINC000262468856 135301296 /nfs/dbraw/zinc/30/12/96/135301296.db2.gz YRJLSBRFWXSJHC-NSHDSACASA-N 1 0 245.392 0.818 20 30 BCEDRO C[C@@H]1CCCC[N@@H+]1CCNC1=[NH+]CCN1C ZINC000262472910 135301333 /nfs/dbraw/zinc/30/13/33/135301333.db2.gz BNXCAOWCAPLPKK-LLVKDONJSA-N 1 0 224.352 0.752 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2cccc(O)c2)N1 ZINC000262475901 135301478 /nfs/dbraw/zinc/30/14/78/135301478.db2.gz CACYRJGMBRCJHH-MRVPVSSYSA-N 1 0 205.261 0.830 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCc2ccccn2)CCO1 ZINC000262478002 135301815 /nfs/dbraw/zinc/30/18/15/135301815.db2.gz QQAVELCWNIKTHI-SNVBAGLBSA-N 1 0 234.303 0.617 20 30 BCEDRO C[C@@]1(CNC(=[NH2+])NC2CC2)CCCC[C@H]1O ZINC000262492992 135302434 /nfs/dbraw/zinc/30/24/34/135302434.db2.gz VMEWTMJKKVCTMB-PWSUYJOCSA-N 1 0 225.336 0.994 20 30 BCEDRO CC(C)CNC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262540101 135304625 /nfs/dbraw/zinc/30/46/25/135304625.db2.gz QYIJOBJEUUQVLL-JTQLQIEISA-N 1 0 231.365 0.415 20 30 BCEDRO CO[C@@]1(CNC(=[NH2+])NCC2CCC2)CCOC1 ZINC000262617873 135308667 /nfs/dbraw/zinc/30/86/67/135308667.db2.gz CAFJFXLVMKBHLT-GFCCVEGCSA-N 1 0 241.335 0.496 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2cccnc2N(C)C)N1 ZINC000262626564 135309134 /nfs/dbraw/zinc/30/91/34/135309134.db2.gz DOVUMENKPBLHLT-VIFPVBQESA-N 1 0 233.319 0.585 20 30 BCEDRO CCNC(=O)C(C)(C)CNC1=[NH+]C[C@H](C)N1 ZINC000262631101 135309419 /nfs/dbraw/zinc/30/94/19/135309419.db2.gz FTCUWDSNBGNGCZ-QMMMGPOBSA-N 1 0 226.324 0.086 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2cn3c(n2)CCCC3)N1 ZINC000262625058 135309762 /nfs/dbraw/zinc/30/97/62/135309762.db2.gz DGIYDBPRWAGMIH-SNVBAGLBSA-N 1 0 247.346 0.699 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCOC[C@H]1C ZINC000262644141 135310860 /nfs/dbraw/zinc/31/08/60/135310860.db2.gz IQFGYARCINHHIG-OUAUKWLOSA-N 1 0 243.351 0.598 20 30 BCEDRO CC(C)Cn1ccnc1CNC1=[NH+]C[C@@H](C)N1 ZINC000262643941 135311251 /nfs/dbraw/zinc/31/12/51/135311251.db2.gz IMUARQYQOFOAHH-SNVBAGLBSA-N 1 0 235.335 0.976 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@H](O)C1CCCCC1 ZINC000262646066 135311323 /nfs/dbraw/zinc/31/13/23/135311323.db2.gz JELWFYFYIQQNKN-LLVKDONJSA-N 1 0 225.336 0.819 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@]2(N(C)C)CCSC2)N1 ZINC000262661779 135311918 /nfs/dbraw/zinc/31/19/18/135311918.db2.gz NBFYJTUEWVBUNK-ONGXEEELSA-N 1 0 242.392 0.361 20 30 BCEDRO CC(C)[C@@H](O)C1(CNC2=[NH+]CCN2C)CC1 ZINC000262660574 135312331 /nfs/dbraw/zinc/31/23/31/135312331.db2.gz MWIVQVUIXQNLAK-SNVBAGLBSA-N 1 0 225.336 0.675 20 30 BCEDRO CN1CC[NH+]=C1NCc1c2c(nn1C)CCCC2 ZINC000262667706 135312469 /nfs/dbraw/zinc/31/24/69/135312469.db2.gz OAFBPPXGPPRALA-UHFFFAOYSA-N 1 0 247.346 0.690 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2ccc(N(C)C)nc2)N1 ZINC000262680691 135313106 /nfs/dbraw/zinc/31/31/06/135313106.db2.gz VZGVZHUDWUQQBA-SECBINFHSA-N 1 0 233.319 0.585 20 30 BCEDRO Cc1cc(CNC2=[NH+]C[C@H](C)N2)n(C)n1 ZINC000262678283 135313240 /nfs/dbraw/zinc/31/32/40/135313240.db2.gz UURXYFSFAHMWRB-QMMMGPOBSA-N 1 0 207.281 0.166 20 30 BCEDRO CN1CC[NH+]=C1NC[C@](C)(O)c1ccsc1 ZINC000262679890 135313250 /nfs/dbraw/zinc/31/32/50/135313250.db2.gz VNTHIZKXVNJZDU-NSHDSACASA-N 1 0 239.344 0.847 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C)[C@H]1C ZINC000342712288 135313617 /nfs/dbraw/zinc/31/36/17/135313617.db2.gz MQLMYTYVQKOREG-SRVKXCTJSA-N 1 0 239.363 0.749 20 30 BCEDRO CO[C@H](CNC1=[NH+]C[C@@H](C)N1)C(C)(C)C ZINC000262687743 135314105 /nfs/dbraw/zinc/31/41/05/135314105.db2.gz ZBFBAEJHQBHCHX-RKDXNWHRSA-N 1 0 213.325 0.985 20 30 BCEDRO COCC1(CNC2=[NH+]C[C@H](C)N2)CCOCC1 ZINC000262700418 135314540 /nfs/dbraw/zinc/31/45/40/135314540.db2.gz KHMHWVFRWFZKDW-JTQLQIEISA-N 1 0 241.335 0.367 20 30 BCEDRO CN(C)C(=[NH+]CC1([S@](C)=O)CCC1)N(C)C ZINC000262697707 135314578 /nfs/dbraw/zinc/31/45/78/135314578.db2.gz FJBBLWIXKQYICI-INIZCTEOSA-N 1 0 245.392 0.767 20 30 BCEDRO C[NH+]=C(NCc1ccc(OC)cn1)NC1CC1 ZINC000262730202 135315387 /nfs/dbraw/zinc/31/53/87/135315387.db2.gz AUFRFAFOFIEMNR-UHFFFAOYSA-N 1 0 234.303 0.918 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC1([S@@](C)=O)CC1 ZINC000262760338 135317552 /nfs/dbraw/zinc/31/75/52/135317552.db2.gz DAZLJFNANMRWJG-ANRSDYALSA-N 1 0 231.365 0.600 20 30 BCEDRO C[NH+]=C(NCC1([S@@](C)=O)CC1)NC1CC1 ZINC000262796653 135319306 /nfs/dbraw/zinc/31/93/06/135319306.db2.gz PTPZTRQVOBSZMV-OAHLLOKOSA-N 1 0 229.349 0.225 20 30 BCEDRO C[NH+]=C(NC1CCC1)N[C@H]1CCN(C2CC2)C1 ZINC000262820056 135319859 /nfs/dbraw/zinc/31/98/59/135319859.db2.gz XVUKHRYLGHHBOA-NSHDSACASA-N 1 0 236.363 0.941 20 30 BCEDRO Cn1ccc(CNC(=[NH2+])N2CCSCC2)n1 ZINC000262930482 135323932 /nfs/dbraw/zinc/32/39/32/135323932.db2.gz HVBCQXNDQNKLDT-UHFFFAOYSA-N 1 0 239.348 0.284 20 30 BCEDRO [NH2+]=C(NCc1cccnn1)NCC1CCC1 ZINC000262932851 135324207 /nfs/dbraw/zinc/32/42/07/135324207.db2.gz MEVRRTKLTHAWHS-UHFFFAOYSA-N 1 0 219.292 0.681 20 30 BCEDRO C[C@@H]1CCC[C@]1(O)CNC(=[NH2+])N1CCC1 ZINC000263031858 135328206 /nfs/dbraw/zinc/32/82/06/135328206.db2.gz BKWDMKIGDKLFQV-KOLCDFICSA-N 1 0 211.309 0.558 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)N[C@@H]1CC12CC2 ZINC000263038354 135328654 /nfs/dbraw/zinc/32/86/54/135328654.db2.gz IGWPZILNNCXREK-RKDXNWHRSA-N 1 0 209.293 0.622 20 30 BCEDRO CCO[C@H]1C[C@@H](NC(=[NH2+])N2CCO[C@H](C)C2)C1 ZINC000263040414 135329349 /nfs/dbraw/zinc/32/93/49/135329349.db2.gz CFHONMPAJZLLDP-MXWKQRLJSA-N 1 0 241.335 0.589 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])N[C@@H]2CC23CC3)CCO1 ZINC000263057296 135329897 /nfs/dbraw/zinc/32/98/97/135329897.db2.gz LZERRMZGEVWLJZ-DTWKUNHWSA-N 1 0 209.293 0.574 20 30 BCEDRO CO[C@@H](CNC(=[NH2+])N1CCO[C@H](C)C1)C1CC1 ZINC000263066737 135330901 /nfs/dbraw/zinc/33/09/01/135330901.db2.gz GFWZXESXCDBLLL-KOLCDFICSA-N 1 0 241.335 0.447 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2C[C@H](C)O[C@@H]2C)N1 ZINC000263078025 135331355 /nfs/dbraw/zinc/33/13/55/135331355.db2.gz HHYLYLAQYCEZQZ-RGOKHQFPSA-N 1 0 211.309 0.737 20 30 BCEDRO CC(C)O[C@H]1C[C@@H](NC2=[NH+]CCN2C)C1 ZINC000263086096 135331720 /nfs/dbraw/zinc/33/17/20/135331720.db2.gz IIPCVATZUVBRLY-AOOOYVTPSA-N 1 0 211.309 0.833 20 30 BCEDRO CCn1ccc(CNC2=[NH+]CCCN2C)n1 ZINC000263086090 135332013 /nfs/dbraw/zinc/33/20/13/135332013.db2.gz IIMVBPYVXBTECS-UHFFFAOYSA-N 1 0 221.308 0.684 20 30 BCEDRO CCn1nc(C)c(CNC2=[NH+]C[C@@H](C)N2)n1 ZINC000263102743 135332968 /nfs/dbraw/zinc/33/29/68/135332968.db2.gz XBGFVHYKKSKUPR-SSDOTTSWSA-N 1 0 222.296 0.044 20 30 BCEDRO CO[C@H]1CCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000263129753 135334592 /nfs/dbraw/zinc/33/45/92/135334592.db2.gz GIEGTFYKMVUMEU-SCZZXKLOSA-N 1 0 211.309 0.868 20 30 BCEDRO CO[C@@H]1CCC[C@@H]1CNC(=[NH2+])NC1CC1 ZINC000263129747 135334634 /nfs/dbraw/zinc/33/46/34/135334634.db2.gz GIEGTFYKMVUMEU-PSASIEDQSA-N 1 0 211.309 0.868 20 30 BCEDRO C[C@H]1CCC[C@@]1(O)CNC(=[NH2+])NC1CCC1 ZINC000263126368 135334765 /nfs/dbraw/zinc/33/47/65/135334765.db2.gz MNZLTARYQMCOGK-JOYOIKCWSA-N 1 0 225.336 0.994 20 30 BCEDRO Cc1ccnc(CNC(=[NH2+])N2CCO[C@H](C)C2)c1 ZINC000263144494 135335640 /nfs/dbraw/zinc/33/56/40/135335640.db2.gz OPCBTJMWJUAFQC-LLVKDONJSA-N 1 0 248.330 0.925 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@]2(O)CCCC2(C)C)N1 ZINC000263151081 135335723 /nfs/dbraw/zinc/33/57/23/135335723.db2.gz PKQAVHLSEFONFM-CABZTGNLSA-N 1 0 225.336 0.865 20 30 BCEDRO CCc1nnc(C[NH+]=C(N(C)C)N(C)C)[nH]1 ZINC000263153163 135336118 /nfs/dbraw/zinc/33/61/18/135336118.db2.gz PQBOGQBOBKYRCF-UHFFFAOYSA-N 1 0 224.312 0.346 20 30 BCEDRO CO[C@@H]1[C@@H](C)[C@@H](NC(=[NH2+])N(C)C)C1(C)C ZINC000263165844 135336126 /nfs/dbraw/zinc/33/61/26/135336126.db2.gz PZZWGQAUETWVQS-DJLDLDEBSA-N 1 0 213.325 0.922 20 30 BCEDRO CC1(C)CC[C@@H]1NC(=[NH2+])N1CCOCC1 ZINC000263157957 135336273 /nfs/dbraw/zinc/33/62/73/135336273.db2.gz OAYGOPLBACHRFU-VIFPVBQESA-N 1 0 211.309 0.822 20 30 BCEDRO N#CC1(CNC(=[NH2+])N2CCOCC2)CCC1 ZINC000263173385 135336902 /nfs/dbraw/zinc/33/69/02/135336902.db2.gz SJTMIJOSKZEPBY-UHFFFAOYSA-N 1 0 222.292 0.327 20 30 BCEDRO C[NH+]=C(NCc1ccnc(N(C)C)n1)NC1CC1 ZINC000263175420 135337185 /nfs/dbraw/zinc/33/71/85/135337185.db2.gz SSGWNWQBVDAEHH-UHFFFAOYSA-N 1 0 248.334 0.370 20 30 BCEDRO Cc1ccc(CCNC2=[NH+]C[C@H](C)N2)nc1 ZINC000263196679 135338534 /nfs/dbraw/zinc/33/85/34/135338534.db2.gz WOHUQDJZVCMZLW-JTQLQIEISA-N 1 0 218.304 0.870 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCc1cnc(C)cn1 ZINC000263203574 135339297 /nfs/dbraw/zinc/33/92/97/135339297.db2.gz XTXBZLCXZNYLSH-UHFFFAOYSA-N 1 0 233.319 0.808 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1(N(C)C)CC1 ZINC000263203535 135339320 /nfs/dbraw/zinc/33/93/20/135339320.db2.gz XSGACBADFCKVPQ-UHFFFAOYSA-N 1 0 210.325 0.561 20 30 BCEDRO CC/C=C/CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000263212322 135340442 /nfs/dbraw/zinc/34/04/42/135340442.db2.gz ZGAVREAXPZPLTQ-YEZKRMTDSA-N 1 0 211.309 0.988 20 30 BCEDRO CO[C@@H]1COCC[C@@H]1CNC(=[NH2+])NCC(C)C ZINC000263215520 135340487 /nfs/dbraw/zinc/34/04/87/135340487.db2.gz ZWXDGULKXPBDIL-GHMZBOCLSA-N 1 0 243.351 0.598 20 30 BCEDRO CC[C@](C)(CNC(=[NH2+])N1CCO[C@H](C)C1)OC ZINC000263215695 135340498 /nfs/dbraw/zinc/34/04/98/135340498.db2.gz ZZUDLBXRMBCNDP-ZYHUDNBSSA-N 1 0 243.351 0.837 20 30 BCEDRO CC[C@@H](C)NC(NCCn1cccn1)=[NH+]C ZINC000263258041 135342447 /nfs/dbraw/zinc/34/24/47/135342447.db2.gz RNBCMHOLOKTOMF-SNVBAGLBSA-N 1 0 223.324 0.847 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC1CC(F)(F)C1 ZINC000263263400 135343424 /nfs/dbraw/zinc/34/34/24/135343424.db2.gz MYDIFHXODPGGHY-LURJTMIESA-N 1 0 221.251 0.723 20 30 BCEDRO C[NH+]=C(NCC(=O)NC1CC1)NC1CCCC1 ZINC000263262732 135343441 /nfs/dbraw/zinc/34/34/41/135343441.db2.gz TZAYVVPUQUGZHZ-UHFFFAOYSA-N 1 0 238.335 0.373 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCN1CCOC[C@H]1C ZINC000263273795 135343459 /nfs/dbraw/zinc/34/34/59/135343459.db2.gz XRIOKYPVFLEXBJ-GHMZBOCLSA-N 1 0 242.367 0.410 20 30 BCEDRO C=CCOCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000343129791 135358927 /nfs/dbraw/zinc/35/89/27/135358927.db2.gz HITQLIWEOHXIEA-SNVBAGLBSA-N 1 0 212.293 0.257 20 30 BCEDRO CNC(NCc1ccccc1[N+](=O)[O-])=[NH+]C ZINC000264083260 135361731 /nfs/dbraw/zinc/36/17/31/135361731.db2.gz IZNNVCLZVBRPDU-UHFFFAOYSA-N 1 0 222.248 0.890 20 30 BCEDRO CNC(=O)CCCNC(=[NH2+])Nc1ccccc1 ZINC000264098608 135361862 /nfs/dbraw/zinc/36/18/62/135361862.db2.gz NFYTVUFGAPONLV-UHFFFAOYSA-N 1 0 234.303 0.939 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](O)CC1 ZINC000293177033 135376598 /nfs/dbraw/zinc/37/65/98/135376598.db2.gz PNKXNHDCMKIUCN-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@H](Cn1cccn1)[NH2+]CCOCCC#N ZINC000293298213 135377181 /nfs/dbraw/zinc/37/71/81/135377181.db2.gz ZGTWPXIQAJUVOF-LLVKDONJSA-N 1 0 222.292 0.791 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1cn[nH]c1 ZINC000294537630 135378398 /nfs/dbraw/zinc/37/83/98/135378398.db2.gz KBWBCVADHRZMGL-SECBINFHSA-N 1 0 220.276 0.200 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000334399239 135388062 /nfs/dbraw/zinc/38/80/62/135388062.db2.gz DJHWEAHEXZDLPY-MNOVXSKESA-N 1 0 238.335 0.882 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)CC[C@@H](C)O ZINC000075781131 135391020 /nfs/dbraw/zinc/39/10/20/135391020.db2.gz RXJBWTAKWWMQOB-ZJUUUORDSA-N 1 0 214.309 0.380 20 30 BCEDRO N#CCc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000331279157 135394987 /nfs/dbraw/zinc/39/49/87/135394987.db2.gz ATXWFLTXSTWONC-BETUJISGSA-N 1 0 232.283 0.290 20 30 BCEDRO C[NH+](C)[C@@H]1CC[C@@H](NC(=O)NCCC(N)=O)C1 ZINC000330604426 135481238 /nfs/dbraw/zinc/48/12/38/135481238.db2.gz IRNUYHQJQWGZJX-RKDXNWHRSA-N 1 0 242.323 0.898 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@H+](C)[C@@H]1CCOC1 ZINC000134273963 135525012 /nfs/dbraw/zinc/52/50/12/135525012.db2.gz YXPWZSRFCVXLQG-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO C=C(C)C[NH+]1CCC(NCc2cnn(C)n2)CC1 ZINC000293650954 135670148 /nfs/dbraw/zinc/67/01/48/135670148.db2.gz SLFIJIBOYNAOJG-UHFFFAOYSA-N 1 0 249.362 0.945 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@H]([NH3+])CC ZINC000295360025 135684623 /nfs/dbraw/zinc/68/46/23/135684623.db2.gz ZLSPXXGDOWSGKW-NXEZZACHSA-N 1 0 214.309 0.821 20 30 BCEDRO N#Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000334894289 135836974 /nfs/dbraw/zinc/83/69/74/135836974.db2.gz IZFJPZMIQBFGPF-GFCCVEGCSA-N 1 0 244.298 0.719 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346456374 135932795 /nfs/dbraw/zinc/93/27/95/135932795.db2.gz OLRFKFFSPKTCDF-VXGBXAGGSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CCC[N@@H+](CC)CC1 ZINC000335294980 136005825 /nfs/dbraw/zinc/00/58/25/136005825.db2.gz FXDOYJYMWPFUGC-UHFFFAOYSA-N 1 0 246.376 0.920 20 30 BCEDRO C[C@@H]1COCCN1CC[NH2+]Cc1ccc(C#N)o1 ZINC000347758716 136011829 /nfs/dbraw/zinc/01/18/29/136011829.db2.gz YQIFKVAVQVVPLQ-LLVKDONJSA-N 1 0 249.314 0.962 20 30 BCEDRO C=CCOCCC[N@H+]1CCC[C@@H]1C(=O)NC ZINC000347976716 136022584 /nfs/dbraw/zinc/02/25/84/136022584.db2.gz YUVBGMGLIODZOC-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCOCCC[N@H+]1CCC[C@H]1C(=O)NC ZINC000347976718 136022642 /nfs/dbraw/zinc/02/26/42/136022642.db2.gz YUVBGMGLIODZOC-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCOCCC[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000348028172 136026950 /nfs/dbraw/zinc/02/69/50/136026950.db2.gz CLPKXEVVLCXKAR-LLVKDONJSA-N 1 0 228.336 0.893 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000348038550 136028501 /nfs/dbraw/zinc/02/85/01/136028501.db2.gz CFRBDMJRBHVQFP-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCOCCC[N@H+]1CCSC[C@H]1CO ZINC000348039188 136028850 /nfs/dbraw/zinc/02/88/50/136028850.db2.gz SVLCYABYHNXVOO-LLVKDONJSA-N 1 0 231.361 0.989 20 30 BCEDRO C=CCOCCCN1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000348047888 136030261 /nfs/dbraw/zinc/03/02/61/136030261.db2.gz LTJULVZENWZCIW-WDEREUQCSA-N 1 0 243.303 0.187 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000348054929 136031798 /nfs/dbraw/zinc/03/17/98/136031798.db2.gz ZFPWKEZZLVGZGA-QWRGUYRKSA-N 1 0 215.293 0.007 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N[C@H](C)c1nc(C)no1 ZINC000348075006 136033845 /nfs/dbraw/zinc/03/38/45/136033845.db2.gz IIKAGHCWXABABD-HTQZYQBOSA-N 1 0 238.291 0.719 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCCC2(CCC2)C1 ZINC000348167181 136042088 /nfs/dbraw/zinc/04/20/88/136042088.db2.gz JBXLXCOIAGGYPW-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@@H](C)O[C@H](CO)C1 ZINC000348192808 136049466 /nfs/dbraw/zinc/04/94/66/136049466.db2.gz JGCSWIQQCLJHRV-NEPJUHHUSA-N 1 0 229.320 0.661 20 30 BCEDRO CC1(C#N)CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000335371616 136083729 /nfs/dbraw/zinc/08/37/29/136083729.db2.gz IKVIRJDCQCKGFM-UHFFFAOYSA-N 1 0 233.315 0.987 20 30 BCEDRO C=CCCN(C)C(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000647597920 397791348 /nfs/dbraw/zinc/79/13/48/397791348.db2.gz YCFBSCVGYJEXIR-ZJUUUORDSA-N 1 0 241.335 0.263 20 30 BCEDRO Cn1nncc1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308914446 397843301 /nfs/dbraw/zinc/84/33/01/397843301.db2.gz GQLHVKKFEIODMS-DTWKUNHWSA-N 1 0 205.265 0.597 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CC(=O)NC ZINC000309100211 397850103 /nfs/dbraw/zinc/85/01/03/397850103.db2.gz GJQOHUKDTVTURK-NXEZZACHSA-N 1 0 214.309 0.285 20 30 BCEDRO C=CCN(CC)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372358041 397941365 /nfs/dbraw/zinc/94/13/65/397941365.db2.gz HOZUXRVPZHVWSO-LBPRGKRZSA-N 1 0 237.347 0.411 20 30 BCEDRO CCOC[C@@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC000336645193 397948686 /nfs/dbraw/zinc/94/86/86/397948686.db2.gz CSAOWWHQTRAVGT-VIFPVBQESA-N 1 0 224.260 0.638 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)O[C@H](C)COC)CC1 ZINC000491506276 398044339 /nfs/dbraw/zinc/04/43/39/398044339.db2.gz OQTVKTAMPIUPLJ-LLVKDONJSA-N 1 0 239.315 0.910 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000647930698 398011842 /nfs/dbraw/zinc/01/18/42/398011842.db2.gz NLUXTJBPLXHJSG-NWDGAFQWSA-N 1 0 239.363 0.607 20 30 BCEDRO C[C@@H](C(=O)N[C@H](C#N)CO)[NH+]1CCCCCC1 ZINC000597746050 398017231 /nfs/dbraw/zinc/01/72/31/398017231.db2.gz HOCYYZLWJLASCN-WDEREUQCSA-N 1 0 239.319 0.252 20 30 BCEDRO CC#CCCNC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487231129 398022681 /nfs/dbraw/zinc/02/26/81/398022681.db2.gz YXNOFHWTHVLLMQ-MNOVXSKESA-N 1 0 208.305 0.714 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000491615500 398048212 /nfs/dbraw/zinc/04/82/12/398048212.db2.gz DPJIOXAGBZKXAH-JTQLQIEISA-N 1 0 223.320 0.744 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646336201 398030827 /nfs/dbraw/zinc/03/08/27/398030827.db2.gz KWWKWKXNAYYGGW-MNOVXSKESA-N 1 0 224.304 0.399 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)O[C@H](C)[C@@H]1C ZINC000491119439 398032706 /nfs/dbraw/zinc/03/27/06/398032706.db2.gz ISIXQLDUEUFHGC-SDDRHHMPSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2cn(C)nn2)CC1 ZINC000491275928 398036137 /nfs/dbraw/zinc/03/61/37/398036137.db2.gz GTPIPYGQMCKBSF-UHFFFAOYSA-N 1 0 247.302 0.099 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCCC[NH3+] ZINC000491305941 398037943 /nfs/dbraw/zinc/03/79/43/398037943.db2.gz KZFUOHIGHSXOAO-UHFFFAOYSA-N 1 0 207.277 0.003 20 30 BCEDRO C#CCNC(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000491307097 398038576 /nfs/dbraw/zinc/03/85/76/398038576.db2.gz OZHOBJLSXFAVPQ-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000491623977 398049630 /nfs/dbraw/zinc/04/96/30/398049630.db2.gz GQOZLYJTCWZIJW-SRVKXCTJSA-N 1 0 238.331 0.672 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C(=O)NCCC ZINC000451597926 397978606 /nfs/dbraw/zinc/97/86/06/397978606.db2.gz IYZMEDUKWXLYRU-MXWKQRLJSA-N 1 0 226.320 0.834 20 30 BCEDRO C[C@H]1SCCN(CC(=O)NCC#N)[C@H]1C ZINC000118418416 397983363 /nfs/dbraw/zinc/98/33/63/397983363.db2.gz HANAWLWDKYDTBM-DTWKUNHWSA-N 1 0 227.333 0.452 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000491704489 398061488 /nfs/dbraw/zinc/06/14/88/398061488.db2.gz BOHPIERXKWFUGW-VHSXEESVSA-N 1 0 211.309 0.633 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CS[C@@H](C)C1 ZINC000491709477 398062138 /nfs/dbraw/zinc/06/21/38/398062138.db2.gz QKYDKMVMMRXWBE-UWVGGRQHSA-N 1 0 226.345 0.610 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CC1(O)CCC1 ZINC000491737872 398063654 /nfs/dbraw/zinc/06/36/54/398063654.db2.gz MAVIGSFIVTUYIP-UHFFFAOYSA-N 1 0 238.331 0.363 20 30 BCEDRO [NH2+]=C(NCCCO)N[C@H]1CCOc2ccccc21 ZINC000083029571 398068270 /nfs/dbraw/zinc/06/82/70/398068270.db2.gz HFVFYTCGMOBNHQ-NSHDSACASA-N 1 0 249.314 0.797 20 30 BCEDRO C#C[C@H](CC)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000491789685 398069542 /nfs/dbraw/zinc/06/95/42/398069542.db2.gz ZSWKCUNFQDCDIH-QJPTWQEYSA-N 1 0 235.331 0.744 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000491789278 398069844 /nfs/dbraw/zinc/06/98/44/398069844.db2.gz ZBLOGYUUIXTLCE-WCBMZHEXSA-N 1 0 209.293 0.387 20 30 BCEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000602480252 398074463 /nfs/dbraw/zinc/07/44/63/398074463.db2.gz BLDSDAVIQKERGZ-UWVGGRQHSA-N 1 0 221.304 0.876 20 30 BCEDRO C[C@H]1C[C@H](C[NH3+])CN1C(=O)C1(C#N)CCC1 ZINC000602480062 398074561 /nfs/dbraw/zinc/07/45/61/398074561.db2.gz FELKMNIRMZFOFO-VHSXEESVSA-N 1 0 221.304 0.876 20 30 BCEDRO N#CC1(C(=O)N2CCO[C@H](C[NH3+])C2)CC2(CC2)C1 ZINC000602481799 398075621 /nfs/dbraw/zinc/07/56/21/398075621.db2.gz DQHOCJAHFXNYAU-SNVBAGLBSA-N 1 0 249.314 0.256 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]([NH3+])C2CC2)CCC1 ZINC000602481208 398075654 /nfs/dbraw/zinc/07/56/54/398075654.db2.gz BBFARIGQVOYQJI-SECBINFHSA-N 1 0 207.277 0.534 20 30 BCEDRO CN(CCC[NH3+])Cc1cn(CC2(C#N)CC2)nn1 ZINC000603228335 398089135 /nfs/dbraw/zinc/08/91/35/398089135.db2.gz XXBMACJGYHCQFX-UHFFFAOYSA-N 1 0 248.334 0.362 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000491655207 398054658 /nfs/dbraw/zinc/05/46/58/398054658.db2.gz GJGGQJZJWINVAL-SNVBAGLBSA-N 1 0 209.293 0.388 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCn1nc2ccccn2c1=O ZINC000491667163 398056717 /nfs/dbraw/zinc/05/67/17/398056717.db2.gz USOZIUHPPDPCNU-LLVKDONJSA-N 1 0 244.298 0.450 20 30 BCEDRO C#C[C@@H]1COCCN1CCOCC1CC1 ZINC000491707465 398057472 /nfs/dbraw/zinc/05/74/72/398057472.db2.gz OTMSYEXPSZVRAH-GFCCVEGCSA-N 1 0 209.289 0.747 20 30 BCEDRO C=CCCCCCNC(=O)C(=O)NCC[NH2+]C ZINC000517246245 322868433 /nfs/dbraw/zinc/86/84/33/322868433.db2.gz PBPOKWVZLYHTGY-UHFFFAOYSA-N 1 0 241.335 0.185 20 30 BCEDRO C#CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000276730597 166156832 /nfs/dbraw/zinc/15/68/32/166156832.db2.gz DPULDDXRFSNGFY-NSHDSACASA-N 1 0 224.304 0.046 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CC[C@H]1CCNC1=O ZINC000568180964 322920867 /nfs/dbraw/zinc/92/08/67/322920867.db2.gz HHKQZHPOBFKWMB-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCCNC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000665941422 487608552 /nfs/dbraw/zinc/60/85/52/487608552.db2.gz XSVZYGOTQFMDSE-WDEREUQCSA-N 1 0 239.319 0.023 20 30 BCEDRO C#CCC[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000363469353 166137519 /nfs/dbraw/zinc/13/75/19/166137519.db2.gz NWSCQPCJGHWLFY-UHFFFAOYSA-N 1 0 232.287 0.328 20 30 BCEDRO C#CCC[NH+]1CCN(c2cc(C)[nH]n2)CC1 ZINC000368928545 166137673 /nfs/dbraw/zinc/13/76/73/166137673.db2.gz HEHWYXHHCZJVOG-UHFFFAOYSA-N 1 0 218.304 0.863 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2ccnc(N)c2)CC1 ZINC000278929716 166137847 /nfs/dbraw/zinc/13/78/47/166137847.db2.gz WBVOSUSSIBVYOK-UHFFFAOYSA-N 1 0 244.342 0.805 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@@H](N)CC[NH+](C)C ZINC000653092931 409692008 /nfs/dbraw/zinc/69/20/08/409692008.db2.gz PWSRKZFBWPEDMB-ZJUUUORDSA-N 1 0 213.325 0.346 20 30 BCEDRO C=CCOCCCNC(=O)CC[NH2+]C ZINC000662662657 409823125 /nfs/dbraw/zinc/82/31/25/409823125.db2.gz BERXLBFKRJWMLN-UHFFFAOYSA-N 1 0 200.282 0.305 20 30 BCEDRO C#CCCNC(=O)C[NH+]1CCC(C)CC1 ZINC000268571982 166139737 /nfs/dbraw/zinc/13/97/37/166139737.db2.gz RJVDPIAJMVCQIH-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CCCNC(=O)NCC[NH+](CC)CC ZINC000265055462 166141139 /nfs/dbraw/zinc/14/11/39/166141139.db2.gz VKWTUMQXUUHCNW-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO C=C1CCN(C(=O)[C@]23C[C@H]2CC[NH2+]3)CC1 ZINC000653174208 410147244 /nfs/dbraw/zinc/14/72/44/410147244.db2.gz PEAKARDCJXJJRJ-PWSUYJOCSA-N 1 0 206.289 0.917 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000653196677 410160478 /nfs/dbraw/zinc/16/04/78/410160478.db2.gz YOCRNXMIVPQHEK-AAEUAGOBSA-N 1 0 238.331 0.776 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000653245649 410188421 /nfs/dbraw/zinc/18/84/21/410188421.db2.gz HPPOGBDTYPKFDR-GHMZBOCLSA-N 1 0 242.319 0.011 20 30 BCEDRO C=CCCOCC(=O)NC[C@H](C)C[NH3+] ZINC000309095387 410243572 /nfs/dbraw/zinc/24/35/72/410243572.db2.gz CQEZZZDMDVIZPV-SECBINFHSA-N 1 0 200.282 0.290 20 30 BCEDRO C=CCCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000665944346 487615243 /nfs/dbraw/zinc/61/52/43/487615243.db2.gz MATMHZSKAUCRDC-LLVKDONJSA-N 1 0 229.324 0.174 20 30 BCEDRO C=CC[N@H+](C[C@@H]1CNC(=O)C1)[C@H](C)COC ZINC000661239303 410397976 /nfs/dbraw/zinc/39/79/76/410397976.db2.gz FCVDPPKQGQIMIB-MNOVXSKESA-N 1 0 226.320 0.645 20 30 BCEDRO C=CC[N@@H+](CCC(=O)N(C)C)[C@@H](C)COC ZINC000661239705 410400223 /nfs/dbraw/zinc/40/02/23/410400223.db2.gz INWWSAHHFJNWNM-NSHDSACASA-N 1 0 228.336 0.988 20 30 BCEDRO C=CC[N@@H+](CCc1c[nH]nn1)[C@H](C)COC ZINC000661240868 410402027 /nfs/dbraw/zinc/40/20/27/410402027.db2.gz SKITVZSSGGWHHU-SNVBAGLBSA-N 1 0 224.308 0.870 20 30 BCEDRO C#CCN(CC)CC1(C[N@H+](CC)CC#C)COC1 ZINC000272828172 166167954 /nfs/dbraw/zinc/16/79/54/166167954.db2.gz QMQIQMSXPLCHHJ-UHFFFAOYSA-N 1 0 248.370 0.913 20 30 BCEDRO C#CCNC(=O)C[C@@H]([NH3+])c1ccccc1 ZINC000019518866 166174617 /nfs/dbraw/zinc/17/46/17/166174617.db2.gz XTNBHWLOYOEFSZ-LLVKDONJSA-N 1 0 202.257 0.826 20 30 BCEDRO C#CCOc1ccc(C[NH2+]C[C@H](O)COC)cc1 ZINC000265433927 166198760 /nfs/dbraw/zinc/19/87/60/166198760.db2.gz SMURIUQJHAULQH-ZDUSSCGKSA-N 1 0 249.310 0.796 20 30 BCEDRO C#CCOc1ccccc1C[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278413039 166199418 /nfs/dbraw/zinc/19/94/18/166199418.db2.gz QGDWNCSTLFETOQ-CHWSQXEVSA-N 1 0 247.294 0.236 20 30 BCEDRO C#C[C@@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000274789811 166209654 /nfs/dbraw/zinc/20/96/54/166209654.db2.gz YAVYSOSOXBIMFN-WDEREUQCSA-N 1 0 224.304 0.093 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000274789807 166216539 /nfs/dbraw/zinc/21/65/39/166216539.db2.gz YAVYSOSOXBIMFN-MNOVXSKESA-N 1 0 224.304 0.093 20 30 BCEDRO C=CCCC[N@H+]1C[C@@H](O)C[C@H]1C(=O)OC ZINC000163766152 166236577 /nfs/dbraw/zinc/23/65/77/166236577.db2.gz MWBVIJMVSRPZNI-UWVGGRQHSA-N 1 0 213.277 0.561 20 30 BCEDRO C=CCCC[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC000296658434 166241765 /nfs/dbraw/zinc/24/17/65/166241765.db2.gz DZEKOASFABEHIT-UHFFFAOYSA-N 1 0 238.291 0.507 20 30 BCEDRO C=CCCN(C)C(=O)NCC[N@@H+](C)CCOC ZINC000276008240 166249985 /nfs/dbraw/zinc/24/99/85/166249985.db2.gz AKDWPDLVHKDTET-UHFFFAOYSA-N 1 0 243.351 0.782 20 30 BCEDRO C=CCC[N@@H+](C)CCN1C(=O)CNC1=O ZINC000276466841 166256197 /nfs/dbraw/zinc/25/61/97/166256197.db2.gz RBQVSQOCOWUZPC-UHFFFAOYSA-N 1 0 211.265 0.046 20 30 BCEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000276515555 166259921 /nfs/dbraw/zinc/25/99/21/166259921.db2.gz YACXORDPXKVFEB-VIFPVBQESA-N 1 0 239.319 0.871 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000270877586 166264573 /nfs/dbraw/zinc/26/45/73/166264573.db2.gz MUDSUSPNWZPESK-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(C)CC[NH+](C)C ZINC000177680054 166271589 /nfs/dbraw/zinc/27/15/89/166271589.db2.gz JVIXTKPYXUQWAK-NSHDSACASA-N 1 0 228.336 0.988 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178789727 166272873 /nfs/dbraw/zinc/27/28/73/166272873.db2.gz QNPGXEUWUWMYSK-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCC(C)(C)[NH3+] ZINC000160117379 166273332 /nfs/dbraw/zinc/27/33/32/166273332.db2.gz YOZFVSLDMUXWMR-VIFPVBQESA-N 1 0 214.309 0.821 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000237620561 166274362 /nfs/dbraw/zinc/27/43/62/166274362.db2.gz XJCODZBMWZPKNT-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270657513 166304392 /nfs/dbraw/zinc/30/43/92/166304392.db2.gz JSIOVOASFZZEPA-UWVGGRQHSA-N 1 0 227.308 0.056 20 30 BCEDRO C=CCN(C)C(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000262311415 166314956 /nfs/dbraw/zinc/31/49/56/166314956.db2.gz CYAIAAPBDFKLLB-UHFFFAOYSA-N 1 0 248.330 0.606 20 30 BCEDRO C=CCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000155292074 166316823 /nfs/dbraw/zinc/31/68/23/166316823.db2.gz FDNBUFDDWRNRDQ-JTQLQIEISA-N 1 0 211.309 0.908 20 30 BCEDRO C=CCN(C)C(=O)[C@H]([NH3+])CCSC ZINC000163642568 166320165 /nfs/dbraw/zinc/32/01/65/166320165.db2.gz GFRVPEWVUPTKHH-MRVPVSSYSA-N 1 0 202.323 0.711 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CC[NH2+]CC1 ZINC000021953038 166328515 /nfs/dbraw/zinc/32/85/15/166328515.db2.gz JMJKEUMYYMAGIS-UHFFFAOYSA-N 1 0 223.320 0.092 20 30 BCEDRO C=CCN(CC=C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000087508428 166328891 /nfs/dbraw/zinc/32/88/91/166328891.db2.gz YYQNSYMAMROSBW-LLVKDONJSA-N 1 0 224.304 0.566 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+]CCOC ZINC000045919704 166328902 /nfs/dbraw/zinc/32/89/02/166328902.db2.gz ICAQFXQDRJVHMR-UHFFFAOYSA-N 1 0 212.293 0.423 20 30 BCEDRO C=CCNC(=[NH2+])NCC1(COC)CCC1 ZINC000283820441 166348387 /nfs/dbraw/zinc/34/83/87/166348387.db2.gz PXNVBMNWOSGFRC-UHFFFAOYSA-N 1 0 211.309 0.893 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)N(C)C)CC1 ZINC000264346122 166352020 /nfs/dbraw/zinc/35/20/20/166352020.db2.gz ACWVGLBQPXOKDA-UHFFFAOYSA-N 1 0 211.309 0.908 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2ccncn2)CC1 ZINC000275377509 166352871 /nfs/dbraw/zinc/35/28/71/166352871.db2.gz WLEBSIRITSQBGE-UHFFFAOYSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCCO[C@@H](C)C1 ZINC000170773150 166365030 /nfs/dbraw/zinc/36/50/30/166365030.db2.gz SWLBBWNGJZLRHB-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](COC)C1 ZINC000265848502 166368207 /nfs/dbraw/zinc/36/82/07/166368207.db2.gz YBRUJUNUWGAECI-JTQLQIEISA-N 1 0 212.293 0.257 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)COC(C)C ZINC000308892739 166369630 /nfs/dbraw/zinc/36/96/30/166369630.db2.gz YHJJFONAPPLKQS-SNVBAGLBSA-N 1 0 214.309 0.692 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000275253343 166369737 /nfs/dbraw/zinc/36/97/37/166369737.db2.gz QNFWWCGBCHRUCM-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000279087929 166370362 /nfs/dbraw/zinc/37/03/62/166370362.db2.gz OVXJVXGBCWRGOV-GHMZBOCLSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000264225235 166378114 /nfs/dbraw/zinc/37/81/14/166378114.db2.gz CUDMCMFPLUTCDC-VIFPVBQESA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000273972368 166382351 /nfs/dbraw/zinc/38/23/51/166382351.db2.gz GWRBWFVPMJLRQM-DTWKUNHWSA-N 1 0 222.292 0.751 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[C@H]([NH3+])C1 ZINC000041029960 166386233 /nfs/dbraw/zinc/38/62/33/166386233.db2.gz PQGFPCQCZKRFBD-UWVGGRQHSA-N 1 0 211.309 0.100 20 30 BCEDRO C=CCNC(=O)[C@H](C)N(C)CC[C@H]([NH3+])C(C)C ZINC000123698544 166386260 /nfs/dbraw/zinc/38/62/60/166386260.db2.gz MIVGDSLTJXYQQU-RYUDHWBXSA-N 1 0 241.379 0.982 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000166096826 166388578 /nfs/dbraw/zinc/38/85/78/166388578.db2.gz VPLJYLGEIVPSRK-DCAQKATOSA-N 1 0 226.320 0.380 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000668830103 487617546 /nfs/dbraw/zinc/61/75/46/487617546.db2.gz VFQVSSKHBMSUBR-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]([NH3+])C(C)C ZINC000309287025 410713240 /nfs/dbraw/zinc/71/32/40/410713240.db2.gz OXPVYTBQTKIPSJ-JTQLQIEISA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCOCC[NH2+]Cc1ccnc(OC)n1 ZINC000395160900 410839381 /nfs/dbraw/zinc/83/93/81/410839381.db2.gz IXGVHSFEGWRNMR-UHFFFAOYSA-N 1 0 223.276 0.777 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000309618877 410970439 /nfs/dbraw/zinc/97/04/39/410970439.db2.gz CPPZMMRYPDFCIE-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCNC(=O)CNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399630676 411050445 /nfs/dbraw/zinc/05/04/45/411050445.db2.gz GBLSNYKIUMIPFJ-GXSJLCMTSA-N 1 0 241.335 0.024 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661602732 411017149 /nfs/dbraw/zinc/01/71/49/411017149.db2.gz DYADPWURMZDITN-NWDGAFQWSA-N 1 0 229.320 0.661 20 30 BCEDRO Cc1cc(NC(=O)CC[NH2+]CCCC#N)no1 ZINC000591759278 411129900 /nfs/dbraw/zinc/12/99/00/411129900.db2.gz KHMSHHFDFONJPY-UHFFFAOYSA-N 1 0 236.275 1.205 20 30 BCEDRO C=CCC[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000217327673 411142082 /nfs/dbraw/zinc/14/20/82/411142082.db2.gz SLBKBNWMUQPBLF-VIFPVBQESA-N 1 0 205.323 0.975 20 30 BCEDRO C=CCCn1cc(CN2CCC[NH2+]CC2)nn1 ZINC000655936786 411159642 /nfs/dbraw/zinc/15/96/42/411159642.db2.gz OYYGYDMAJGROAT-UHFFFAOYSA-N 1 0 235.335 0.650 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652235857 411177626 /nfs/dbraw/zinc/17/76/26/411177626.db2.gz VTRHQTQZLYTMMX-SNVBAGLBSA-N 1 0 241.335 0.352 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H](C)Cn1cncn1 ZINC000657974464 411184473 /nfs/dbraw/zinc/18/44/73/411184473.db2.gz PATOCAYEBHWKCB-ZJUUUORDSA-N 1 0 210.281 0.193 20 30 BCEDRO C=CCCC[NH+]1CCN(c2nncn2C)CC1 ZINC000653819138 411192209 /nfs/dbraw/zinc/19/22/09/411192209.db2.gz PXEFBOJFFACXLZ-UHFFFAOYSA-N 1 0 235.335 0.903 20 30 BCEDRO CC#CCC[NH+]1CCN(c2nncn2C)CC1 ZINC000653823616 411192876 /nfs/dbraw/zinc/19/28/76/411192876.db2.gz JQXBVFYKCWIFQJ-UHFFFAOYSA-N 1 0 233.319 0.351 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)Cn1cncn1 ZINC000658028337 411205803 /nfs/dbraw/zinc/20/58/03/411205803.db2.gz CLPJEVZWPLCSTC-MXWKQRLJSA-N 1 0 222.292 0.600 20 30 BCEDRO C=CCOCCNC(=O)NC(C)(C)C[NH+](C)C ZINC000655783869 411223199 /nfs/dbraw/zinc/22/31/99/411223199.db2.gz OOCLGHWGYFULAC-UHFFFAOYSA-N 1 0 243.351 0.828 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000652511960 411262514 /nfs/dbraw/zinc/26/25/14/411262514.db2.gz FLHUKMLQRCGARL-JTQLQIEISA-N 1 0 229.324 0.438 20 30 BCEDRO C[NH+](C)C1(CNC(=O)c2cc(C#N)ccn2)CC1 ZINC000416309003 411274576 /nfs/dbraw/zinc/27/45/76/411274576.db2.gz TWLRJDRJIFANJO-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C[NH+](C)C1(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000416307752 411274777 /nfs/dbraw/zinc/27/47/77/411274777.db2.gz MKAUAJKPWJSYMZ-UHFFFAOYSA-N 1 0 232.287 0.710 20 30 BCEDRO N#C[C@H]1COCCN1CC[NH+]1CCCCC1 ZINC000081166509 411275831 /nfs/dbraw/zinc/27/58/31/411275831.db2.gz YOXKFXGVUHGPHR-LBPRGKRZSA-N 1 0 223.320 0.697 20 30 BCEDRO CC#CCNCc1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000656467789 411279109 /nfs/dbraw/zinc/27/91/09/411279109.db2.gz SCKICJGZPNBUOA-LBPRGKRZSA-N 1 0 233.319 0.316 20 30 BCEDRO C=CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000656477348 411282966 /nfs/dbraw/zinc/28/29/66/411282966.db2.gz GENODEDSFMODIW-ZJUUUORDSA-N 1 0 222.288 0.690 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(C)CC[NH2+]C ZINC000069802298 411291808 /nfs/dbraw/zinc/29/18/08/411291808.db2.gz MNVJNLUQQQDBJD-UHFFFAOYSA-N 1 0 225.336 0.338 20 30 BCEDRO C=CCOCCC[NH2+][C@H](C)CS(=O)(=O)CC ZINC000658210286 411294218 /nfs/dbraw/zinc/29/42/18/411294218.db2.gz PHVHTPNZYOOSFZ-LLVKDONJSA-N 1 0 249.376 0.992 20 30 BCEDRO C=CCOCCC[NH2+][C@@H](C)CC(N)=O ZINC000658209583 411294308 /nfs/dbraw/zinc/29/43/08/411294308.db2.gz HMRKBPIWDUERFE-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO C=CCn1cc([C@H]([NH3+])[C@@H]2CCCO2)nn1 ZINC000656445845 411255459 /nfs/dbraw/zinc/25/54/59/411255459.db2.gz WZSQRBPAKPQRDO-UWVGGRQHSA-N 1 0 208.265 0.643 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCCS(N)(=O)=O ZINC000662083682 411358695 /nfs/dbraw/zinc/35/86/95/411358695.db2.gz IQQJMJISIHWCKG-PHIMTYICSA-N 1 0 244.360 0.848 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@H](C)[NH+](C)C ZINC000654297444 411367128 /nfs/dbraw/zinc/36/71/28/411367128.db2.gz BOUHOWATNIIQQS-VHSXEESVSA-N 1 0 214.309 0.380 20 30 BCEDRO C=CCN(C(=O)C[NH2+]CCOC)[C@H](C)COC ZINC000659340484 411368265 /nfs/dbraw/zinc/36/82/65/411368265.db2.gz UZXMQLHOWYAEDP-LLVKDONJSA-N 1 0 244.335 0.272 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N[C@H](C)CCC ZINC000662165798 411370468 /nfs/dbraw/zinc/37/04/68/411370468.db2.gz OZFIGPOHPDUDOM-OUAUKWLOSA-N 1 0 228.336 0.816 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CCOC(C)C ZINC000662168284 411370781 /nfs/dbraw/zinc/37/07/81/411370781.db2.gz ADXBWMCIWNFTMH-GHMZBOCLSA-N 1 0 217.309 0.299 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NC(CC)CC ZINC000662166302 411370969 /nfs/dbraw/zinc/37/09/69/411370969.db2.gz ZNNPGTYKKOLUEK-GXSJLCMTSA-N 1 0 228.336 0.816 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCc1c(C)noc1C ZINC000662168778 411372275 /nfs/dbraw/zinc/37/22/75/411372275.db2.gz UKCVKKWXKNSRMZ-SNVBAGLBSA-N 1 0 210.277 0.970 20 30 BCEDRO CC1(C)[C@H](NC(=[NH2+])N2CCSCC2)C[C@@H]1O ZINC000186873644 168001368 /nfs/dbraw/zinc/00/13/68/168001368.db2.gz UJIXBIVBPAGCLW-BDAKNGLRSA-N 1 0 243.376 0.509 20 30 BCEDRO CC1(C)[C@H](O)C[C@H]1NC(=[NH2+])NCC1CCC1 ZINC000186874266 168006886 /nfs/dbraw/zinc/00/68/86/168006886.db2.gz KFYSCBVDRQYSHV-NXEZZACHSA-N 1 0 225.336 0.850 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000659358216 411374353 /nfs/dbraw/zinc/37/43/53/411374353.db2.gz GBZMHSBXRIWCKP-WDEREUQCSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCCNC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000659336725 411397351 /nfs/dbraw/zinc/39/73/51/411397351.db2.gz BXWGGWJJHWSBTA-SNVBAGLBSA-N 1 0 249.318 0.336 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000659383123 411398487 /nfs/dbraw/zinc/39/84/87/411398487.db2.gz RBWXJNCZZWLSQI-VIFPVBQESA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCN(C(=O)[C@H]1CC[NH2+]1)[C@@H](C)COC ZINC000659339297 411398934 /nfs/dbraw/zinc/39/89/34/411398934.db2.gz FUSKYDZMEZTVNY-VHSXEESVSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000659383280 411401015 /nfs/dbraw/zinc/40/10/15/411401015.db2.gz SLLXKRPMXSUCPW-SECBINFHSA-N 1 0 248.273 0.550 20 30 BCEDRO C=CCOCCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000659359602 411402325 /nfs/dbraw/zinc/40/23/25/411402325.db2.gz VLFKMMYPEHMTHA-NXEZZACHSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H](N)CC[NH+](C)C ZINC000653056333 411406825 /nfs/dbraw/zinc/40/68/25/411406825.db2.gz AXNGNONMRIVRLD-NSHDSACASA-N 1 0 225.336 0.466 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)NCC#Cc1ccccc1 ZINC000659431727 411414009 /nfs/dbraw/zinc/41/40/09/411414009.db2.gz WXCNVXWNKYKFKS-GFCCVEGCSA-N 1 0 245.326 0.945 20 30 BCEDRO C=CC[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000121951258 411419704 /nfs/dbraw/zinc/41/97/04/411419704.db2.gz SUZLQQPFZSMURS-QMMMGPOBSA-N 1 0 244.316 0.981 20 30 BCEDRO C=CCCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405206012 411419936 /nfs/dbraw/zinc/41/99/36/411419936.db2.gz AGEDXJTYWGPGTA-NWDGAFQWSA-N 1 0 210.321 0.703 20 30 BCEDRO CC#CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654663038 411424971 /nfs/dbraw/zinc/42/49/71/411424971.db2.gz DBYZHAPCMZOENS-PHIMTYICSA-N 1 0 223.320 0.649 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654663538 411425319 /nfs/dbraw/zinc/42/53/19/411425319.db2.gz SFSUPPRGPVBVPO-TXEJJXNPSA-N 1 0 237.347 0.991 20 30 BCEDRO C=CCCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000659561237 411436101 /nfs/dbraw/zinc/43/61/01/411436101.db2.gz HLUOCCXXQODRES-VHSXEESVSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000659563094 411436869 /nfs/dbraw/zinc/43/68/69/411436869.db2.gz PMGYXOZUDLNACK-GFCCVEGCSA-N 1 0 223.320 0.958 20 30 BCEDRO C=CCOCCCNC(=O)N(C)CC[NH3+] ZINC000659597374 411440104 /nfs/dbraw/zinc/44/01/04/411440104.db2.gz PEEUIPYMAMSROR-UHFFFAOYSA-N 1 0 215.297 0.179 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H]([NH3+])C(C)C ZINC000418401333 411449433 /nfs/dbraw/zinc/44/94/33/411449433.db2.gz HWJUBSOCJRCENZ-QWRGUYRKSA-N 1 0 243.351 0.596 20 30 BCEDRO C=CCCn1cc(CNCCC(=O)NC)nn1 ZINC000657331331 411468082 /nfs/dbraw/zinc/46/80/82/411468082.db2.gz YMDWWFSAWRZYDI-UHFFFAOYSA-N 1 0 237.307 0.080 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@@H]2CCC[C@H]2O)nn1 ZINC000657489867 411532921 /nfs/dbraw/zinc/53/29/21/411532921.db2.gz ZKVZNABSKYDUMK-VXGBXAGGSA-N 1 0 236.319 0.857 20 30 BCEDRO C=CCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000307760510 411484368 /nfs/dbraw/zinc/48/43/68/411484368.db2.gz WAHAARRTPGEZID-SSDOTTSWSA-N 1 0 204.220 0.533 20 30 BCEDRO C=CCN(C(=O)N[C@@H](C)CC[NH3+])[C@@H](C)COC ZINC000659530536 411490098 /nfs/dbraw/zinc/49/00/98/411490098.db2.gz SVYFBMIKVWRXOO-QWRGUYRKSA-N 1 0 243.351 0.956 20 30 BCEDRO C[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)N(C)C ZINC000232314892 411495045 /nfs/dbraw/zinc/49/50/45/411495045.db2.gz DOZIZGUOFYMWNG-SNVBAGLBSA-N 1 0 220.320 0.936 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000655136760 411502892 /nfs/dbraw/zinc/50/28/92/411502892.db2.gz BVYKNMDENGTLKA-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC000657436393 411508811 /nfs/dbraw/zinc/50/88/11/411508811.db2.gz TZVSZRPLORDAOL-SNVBAGLBSA-N 1 0 221.304 0.856 20 30 BCEDRO CC[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000181226018 170007331 /nfs/dbraw/zinc/00/73/31/170007331.db2.gz PLRZCPVTFPAQEM-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO C=CCNC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000660205750 411553360 /nfs/dbraw/zinc/55/33/60/411553360.db2.gz GPCKLWGGNHZWEJ-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO CCOCC(C)(C)[NH2+]CC(=O)NCC#N ZINC000339373689 170353818 /nfs/dbraw/zinc/35/38/18/170353818.db2.gz YTQCIZIVPBUUPD-UHFFFAOYSA-N 1 0 213.281 0.031 20 30 BCEDRO CC[N@H+](CCNc1cc(C#N)ncn1)C(C)C ZINC000582942172 411625491 /nfs/dbraw/zinc/62/54/91/411625491.db2.gz KTEXQONYJSKHHA-UHFFFAOYSA-N 1 0 233.319 1.490 20 30 BCEDRO C=CCC[N@@H+](C)Cc1coc(S(N)(=O)=O)c1 ZINC000660398479 411579034 /nfs/dbraw/zinc/57/90/34/411579034.db2.gz GFBWJECYKZEZLR-UHFFFAOYSA-N 1 0 244.316 0.935 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@H](COC)OC ZINC000660402631 411580137 /nfs/dbraw/zinc/58/01/37/411580137.db2.gz JCXXCBFNCIJXKB-LLVKDONJSA-N 1 0 217.309 0.782 20 30 BCEDRO C=CCCNC(=O)NCC[N@@H+](C)CCOC ZINC000660584860 411604274 /nfs/dbraw/zinc/60/42/74/411604274.db2.gz MXLHUMLZXQIYKC-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C=CCN1CCC([NH2+][C@@H](C)Cn2cncn2)CC1 ZINC000657875491 411615014 /nfs/dbraw/zinc/61/50/14/411615014.db2.gz KYRHTWRHYIRONK-LBPRGKRZSA-N 1 0 249.362 0.907 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CON(CC)C1=O ZINC000660722469 411618879 /nfs/dbraw/zinc/61/88/79/411618879.db2.gz IVXWJHQVGZBOMF-UTLUCORTSA-N 1 0 226.276 0.082 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000660722036 411618993 /nfs/dbraw/zinc/61/89/93/411618993.db2.gz DXVPYDPXLIDMOI-RNJOBUHISA-N 1 0 241.331 0.971 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](COC)OC ZINC000660723529 411619313 /nfs/dbraw/zinc/61/93/13/411619313.db2.gz YNOMVODSKJUUMA-MXWKQRLJSA-N 1 0 215.293 0.581 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661146414 411719279 /nfs/dbraw/zinc/71/92/79/411719279.db2.gz SQCDQWMENRPBNH-NWDGAFQWSA-N 1 0 236.319 0.537 20 30 BCEDRO Cc1ccc(N[C@@H]2CC[NH2+]C2)nc1C#N ZINC000591425975 411693762 /nfs/dbraw/zinc/69/37/62/411693762.db2.gz SGHBGGURLBBUMY-SECBINFHSA-N 1 0 202.261 1.036 20 30 BCEDRO C=CC[N@H+](C[C@@H]1CCC(=O)N1)[C@H](C)COC ZINC000661240789 411740712 /nfs/dbraw/zinc/74/07/12/411740712.db2.gz UBLPBXVZCGSNIF-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO Cc1nc(NC[C@]2(O)CC[N@@H+](C)C2)ccc1C#N ZINC000487757969 411749059 /nfs/dbraw/zinc/74/90/59/411749059.db2.gz FXRJKSFMZKGION-CYBMUJFWSA-N 1 0 246.314 0.740 20 30 BCEDRO Cc1nc(NC[C@H]2C[NH2+]CCCO2)ccc1C#N ZINC000333506230 411749406 /nfs/dbraw/zinc/74/94/06/411749406.db2.gz DGNYWHGKQGDGRC-GFCCVEGCSA-N 1 0 246.314 1.052 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000661388566 411765343 /nfs/dbraw/zinc/76/53/43/411765343.db2.gz BMUQOLHEMOFSLP-NEPJUHHUSA-N 1 0 229.320 0.397 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000661393287 411768058 /nfs/dbraw/zinc/76/80/58/411768058.db2.gz JROMKKNPGAFCAV-QWHCGFSZSA-N 1 0 243.347 0.787 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)CO ZINC000661433605 411774317 /nfs/dbraw/zinc/77/43/17/411774317.db2.gz LOQQNRCZDMCLGM-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO CCn1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)n1 ZINC000595255116 411809180 /nfs/dbraw/zinc/80/91/80/411809180.db2.gz JUIYMCXDIAWJHP-SNVBAGLBSA-N 1 0 249.318 1.253 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661595516 411810145 /nfs/dbraw/zinc/81/01/45/411810145.db2.gz CFZTUADJRHXKQT-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661601290 411811524 /nfs/dbraw/zinc/81/15/24/411811524.db2.gz MMWOALBFTALNHY-WOPDTQHZSA-N 1 0 238.331 0.524 20 30 BCEDRO C[C@@H](CCNc1cc(C#N)cnn1)[NH+](C)C ZINC000596429584 411815357 /nfs/dbraw/zinc/81/53/57/411815357.db2.gz IEHACBLXCGDDJX-VIFPVBQESA-N 1 0 219.292 1.100 20 30 BCEDRO C[C@@H]([NH3+])[C@H](C)Nc1ccc(C#N)c(N)n1 ZINC000596014059 411825022 /nfs/dbraw/zinc/82/50/22/411825022.db2.gz LQNXFVYJMIAJHN-RQJHMYQMSA-N 1 0 205.265 0.683 20 30 BCEDRO C=CC[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000639726663 411849590 /nfs/dbraw/zinc/84/95/90/411849590.db2.gz YPFYZUZUPOHGFW-UHFFFAOYSA-N 1 0 208.265 1.017 20 30 BCEDRO C=CC[C@H](CO)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000645211450 411852625 /nfs/dbraw/zinc/85/26/25/411852625.db2.gz IOAGWVMMYXSVEF-SECBINFHSA-N 1 0 248.330 0.708 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000661839224 411899712 /nfs/dbraw/zinc/89/97/12/411899712.db2.gz OYLMUGUAKWISPX-GARJFASQSA-N 1 0 238.331 0.570 20 30 BCEDRO C[C@H](CCC#N)N1CCc2cnc(N)nc2C1 ZINC000598947512 411916913 /nfs/dbraw/zinc/91/69/13/411916913.db2.gz CPIDMLOFNMCXEF-SECBINFHSA-N 1 0 231.303 1.109 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccc(N)nc1 ZINC000594425547 411966090 /nfs/dbraw/zinc/96/60/90/411966090.db2.gz KTKFOMJNUWBVPO-SNVBAGLBSA-N 1 0 247.302 1.014 20 30 BCEDRO N#Cc1nc(N)n(CC[C@@H]2CCC[NH2+]C2)c1C#N ZINC000564925979 411974283 /nfs/dbraw/zinc/97/42/83/411974283.db2.gz DFQOJRPXIIUGMT-VIFPVBQESA-N 1 0 244.302 0.598 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC2(COC2)C1 ZINC000662076890 411978930 /nfs/dbraw/zinc/97/89/30/411978930.db2.gz XUQONCGRYAKBFF-SNVBAGLBSA-N 1 0 224.304 0.399 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662138509 411988145 /nfs/dbraw/zinc/98/81/45/411988145.db2.gz WTXQJDZMJNDEEZ-ZYHUDNBSSA-N 1 0 226.320 0.239 20 30 BCEDRO C=C[C@H](CO)Nc1ncnc2c1OCCN2 ZINC000664605837 411996748 /nfs/dbraw/zinc/99/67/48/411996748.db2.gz OWABUEVGNVURIK-SSDOTTSWSA-N 1 0 222.248 0.240 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662135915 412000010 /nfs/dbraw/zinc/00/00/10/412000010.db2.gz NZJOSRMPJDARKB-GVXVVHGQSA-N 1 0 240.347 0.627 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662147969 412007933 /nfs/dbraw/zinc/00/79/33/412007933.db2.gz XNAKDNTVUNUXPT-SDDRHHMPSA-N 1 0 213.321 0.874 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1C[C@H](C)C[C@@H](C)C1 ZINC000662163431 412012463 /nfs/dbraw/zinc/01/24/63/412012463.db2.gz AMKCPNQGGJZXIJ-IJLUTSLNSA-N 1 0 240.347 0.627 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@H](C)C(C)C ZINC000662163482 412012866 /nfs/dbraw/zinc/01/28/66/412012866.db2.gz CNLZXTCRLBYSCK-NXEZZACHSA-N 1 0 214.309 0.284 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NCCCCC ZINC000662166073 412015000 /nfs/dbraw/zinc/01/50/00/412015000.db2.gz RLUPPHHTVUIQEI-WDEREUQCSA-N 1 0 228.336 0.818 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N1CCCCC1 ZINC000662167931 412016601 /nfs/dbraw/zinc/01/66/01/412016601.db2.gz SRBKVHNBZZTYPS-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000662168964 412017852 /nfs/dbraw/zinc/01/78/52/412017852.db2.gz BIRSPIVNHLERQZ-MXWKQRLJSA-N 1 0 215.293 0.174 20 30 BCEDRO C=CCCCCC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665047259 412068357 /nfs/dbraw/zinc/06/83/57/412068357.db2.gz PCOYEHMGUNTUKQ-MNOVXSKESA-N 1 0 226.320 0.653 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC[N@H+](C)C1CC1 ZINC000062010363 171218342 /nfs/dbraw/zinc/21/83/42/171218342.db2.gz WVYHUMMBUVFQGD-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000665074332 412082369 /nfs/dbraw/zinc/08/23/69/412082369.db2.gz MJTHUXLBRJSBOB-LBPRGKRZSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCN(C[C@@H]1C[NH2+]CCO1)[C@@H](C)COC ZINC000662298932 412087459 /nfs/dbraw/zinc/08/74/59/412087459.db2.gz HQBOKFSYDWFSKK-RYUDHWBXSA-N 1 0 228.336 0.498 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000665092777 412089645 /nfs/dbraw/zinc/08/96/45/412089645.db2.gz UKHCBQSTFGSZFV-LLVKDONJSA-N 1 0 224.304 0.046 20 30 BCEDRO C=C(C)C[C@H](NC(C)=O)C(=O)NCC[NH+](C)C ZINC000665111549 412099091 /nfs/dbraw/zinc/09/90/91/412099091.db2.gz DHAALCYDLPCWAR-NSHDSACASA-N 1 0 241.335 0.135 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCCC[NH+](CC)CC ZINC000665152640 412112893 /nfs/dbraw/zinc/11/28/93/412112893.db2.gz WWJRRSIXGQZLDI-LBPRGKRZSA-N 1 0 228.336 0.772 20 30 BCEDRO CC[C@H](CO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189579802 171451137 /nfs/dbraw/zinc/45/11/37/171451137.db2.gz ZBIPKSFCPDVXSN-SNVBAGLBSA-N 1 0 207.277 0.757 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@H]([NH3+])COC(C)C ZINC000662465836 412184853 /nfs/dbraw/zinc/18/48/53/412184853.db2.gz SNSJARWPPLFZMS-UWVGGRQHSA-N 1 0 214.309 0.820 20 30 BCEDRO C=CC[C@@]1(C(=O)NCCCC(N)=O)CCC[NH2+]1 ZINC000662504773 412197751 /nfs/dbraw/zinc/19/77/51/412197751.db2.gz BPFYFEHQRNOHAB-LBPRGKRZSA-N 1 0 239.319 0.066 20 30 BCEDRO C[C@H](CC[NH+](C)C)Nc1ccc(C#N)c(N)n1 ZINC000583822930 412198332 /nfs/dbraw/zinc/19/83/32/412198332.db2.gz CJHPMOADZFUMGU-SECBINFHSA-N 1 0 233.319 1.288 20 30 BCEDRO C[C@H](CCNc1nccnc1C#N)[NH+](C)C ZINC000596434973 412199442 /nfs/dbraw/zinc/19/94/42/412199442.db2.gz YJFZKYHADZNPRH-SECBINFHSA-N 1 0 219.292 1.100 20 30 BCEDRO CC(C)(C)[NH2+]CCNc1cc(C#N)ncn1 ZINC000390137640 412202889 /nfs/dbraw/zinc/20/28/89/412202889.db2.gz MYPYWRQMNMAYBB-UHFFFAOYSA-N 1 0 219.292 1.148 20 30 BCEDRO C=CCN(C)C(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662525008 412204594 /nfs/dbraw/zinc/20/45/94/412204594.db2.gz OIGXHKCBXDHCPO-VIFPVBQESA-N 1 0 234.303 0.745 20 30 BCEDRO C=CCOCCC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000665263794 412207481 /nfs/dbraw/zinc/20/74/81/412207481.db2.gz UVIFZIATKOCKOH-STQMWFEESA-N 1 0 242.363 0.936 20 30 BCEDRO COCC#CC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000665266294 412208773 /nfs/dbraw/zinc/20/87/73/412208773.db2.gz RNYLGOLTZQHIBZ-LBPRGKRZSA-N 1 0 238.331 0.625 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000665235451 412174201 /nfs/dbraw/zinc/17/42/01/412174201.db2.gz FZABRSHDDHZJFO-NSHDSACASA-N 1 0 234.303 0.552 20 30 BCEDRO N#Cc1cc(NC[C@@H]2CCC[C@H]([NH3+])C2)ncn1 ZINC000591441621 412254952 /nfs/dbraw/zinc/25/49/52/412254952.db2.gz JCJHFDZXFIALIE-ZJUUUORDSA-N 1 0 231.303 1.278 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)cn1 ZINC000389727805 412258805 /nfs/dbraw/zinc/25/88/05/412258805.db2.gz MRFRTXLAYAPSDI-ONGXEEELSA-N 1 0 216.288 1.363 20 30 BCEDRO C=CCOCCCNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000662663247 412261904 /nfs/dbraw/zinc/26/19/04/412261904.db2.gz GKUWIELIUQIGGE-LLVKDONJSA-N 1 0 242.319 0.074 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662662677 412262281 /nfs/dbraw/zinc/26/22/81/412262281.db2.gz BWYSYPTYHJDDEO-AAEUAGOBSA-N 1 0 238.331 0.695 20 30 BCEDRO C=CC[C@]1(C(=O)NCCn2ccnc2)CCC[NH2+]1 ZINC000662664576 412263268 /nfs/dbraw/zinc/26/32/68/412263268.db2.gz SMHKEZLQHKKECS-CYBMUJFWSA-N 1 0 248.330 0.698 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H](CC)[NH2+]C ZINC000662664152 412263382 /nfs/dbraw/zinc/26/33/82/412263382.db2.gz PGYJPMHRWOPDBD-SNVBAGLBSA-N 1 0 214.309 0.693 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680313 412268844 /nfs/dbraw/zinc/26/88/44/412268844.db2.gz YMAFVRWYJSHFDX-ZBOXLXRLSA-N 1 0 238.331 0.917 20 30 BCEDRO C[C@H]1C[C@H](Nc2cc(C#N)cnn2)C[N@@H+]1C1CC1 ZINC000596157309 412269373 /nfs/dbraw/zinc/26/93/73/412269373.db2.gz XWHUATUWXMYBLZ-ONGXEEELSA-N 1 0 243.314 1.385 20 30 BCEDRO C=CC[C@@]1(C(=O)NC[C@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662693694 412273518 /nfs/dbraw/zinc/27/35/18/412273518.db2.gz LLGLPYWYTAJIGZ-AAEUAGOBSA-N 1 0 239.363 0.751 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662710056 412278402 /nfs/dbraw/zinc/27/84/02/412278402.db2.gz FUODNVMSAFQBBL-CMPLNLGQSA-N 1 0 224.304 0.305 20 30 BCEDRO N#Cc1nc(NCC[NH3+])ccc1C(F)(F)F ZINC000420115415 412281553 /nfs/dbraw/zinc/28/15/53/412281553.db2.gz KAOMQNWRNXWYSM-UHFFFAOYSA-N 1 0 230.193 1.343 20 30 BCEDRO N#CCC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000356203173 412228061 /nfs/dbraw/zinc/22/80/61/412228061.db2.gz LAJPBQONUUNBRA-UHFFFAOYSA-N 1 0 227.227 1.119 20 30 BCEDRO C=CC[C@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000662630453 412250190 /nfs/dbraw/zinc/25/01/90/412250190.db2.gz JMDVXSDRWXWJMD-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[C@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000662635106 412250980 /nfs/dbraw/zinc/25/09/80/412250980.db2.gz JMDVXSDRWXWJMD-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C[N@@H+]1CCC[C@@H](CCNc2cc(C#N)cnn2)C1 ZINC000596271512 412251693 /nfs/dbraw/zinc/25/16/93/412251693.db2.gz RDFCZMDAWBHSCF-NSHDSACASA-N 1 0 245.330 1.492 20 30 BCEDRO N#Cc1cc(NCCC[NH+]2CCCC2)ncn1 ZINC000393861813 412252658 /nfs/dbraw/zinc/25/26/58/412252658.db2.gz JCSTUNJNBLHXNE-UHFFFAOYSA-N 1 0 231.303 1.246 20 30 BCEDRO N#Cc1cc(NCC[N@@H+]2CCCOCC2)ncn1 ZINC000517444794 412253003 /nfs/dbraw/zinc/25/30/03/412253003.db2.gz CFXGDMQTGVIHIS-UHFFFAOYSA-N 1 0 247.302 0.482 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CC1([NH3+])CC1 ZINC000662819185 412309524 /nfs/dbraw/zinc/30/95/24/412309524.db2.gz HUHLOENFEYHXRR-UWVGGRQHSA-N 1 0 224.304 0.575 20 30 BCEDRO C=CC[C@]1(C(=O)NCc2cn(C)nn2)CCC[NH2+]1 ZINC000662829245 412314222 /nfs/dbraw/zinc/31/42/22/412314222.db2.gz BDBVPECZMFHIOE-GFCCVEGCSA-N 1 0 249.318 0.130 20 30 BCEDRO C=CCN(C(=O)CCC[NH3+])[C@H](C)COC ZINC000662854282 412315441 /nfs/dbraw/zinc/31/54/41/412315441.db2.gz LBNFIESVGUHIPO-SNVBAGLBSA-N 1 0 214.309 0.775 20 30 BCEDRO C=CCn1cc(C(=O)N(C)CC(C)(C)[NH3+])nn1 ZINC000662845349 412319997 /nfs/dbraw/zinc/31/99/97/412319997.db2.gz OQCMEPUEYKIXRU-UHFFFAOYSA-N 1 0 237.307 0.273 20 30 BCEDRO C=CCN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H](C)COC ZINC000662854325 412324559 /nfs/dbraw/zinc/32/45/59/412324559.db2.gz LTLWICUTKXHAOI-GARJFASQSA-N 1 0 226.320 0.773 20 30 BCEDRO C=CC[C@@]1(C(=O)NC/C=C\CO)CCC[NH2+]1 ZINC000662858823 412326869 /nfs/dbraw/zinc/32/68/69/412326869.db2.gz IJSRKUXAOMZGTG-MVZIDQBPSA-N 1 0 224.304 0.349 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662872152 412331084 /nfs/dbraw/zinc/33/10/84/412331084.db2.gz BVNHKNRILZKXBK-WDEREUQCSA-N 1 0 242.319 0.059 20 30 BCEDRO C=CCC1(NC(=O)[C@H]2C[C@H]([NH3+])C2)CCOCC1 ZINC000662875677 412331584 /nfs/dbraw/zinc/33/15/84/412331584.db2.gz WNRPYCIBKNQIFG-XYPYZODXSA-N 1 0 238.331 0.965 20 30 BCEDRO C=CCC1(NC(=O)[C@H]2CCC[NH2+]2)CCOCC1 ZINC000662875717 412332246 /nfs/dbraw/zinc/33/22/46/412332246.db2.gz WZPSLMFNNHWFHM-LLVKDONJSA-N 1 0 238.331 0.980 20 30 BCEDRO C=CCC1(NC(=O)COCC[NH3+])CCOCC1 ZINC000662873625 412332556 /nfs/dbraw/zinc/33/25/56/412332556.db2.gz JNHHJUIPPWUZKJ-UHFFFAOYSA-N 1 0 242.319 0.203 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000665509077 412340005 /nfs/dbraw/zinc/34/00/05/412340005.db2.gz WNYRRCXACAXHMW-CYBMUJFWSA-N 1 0 240.347 0.912 20 30 BCEDRO CCC[N@@H+]1CC[C@H](CNc2cc(C#N)cnn2)C1 ZINC000596090105 412353739 /nfs/dbraw/zinc/35/37/39/412353739.db2.gz VUOQFLIKPDOQAU-LLVKDONJSA-N 1 0 245.330 1.492 20 30 BCEDRO C=CCOc1cccnc1C(=O)N[C@@H](C)C[NH2+]C ZINC000662968359 412359561 /nfs/dbraw/zinc/35/95/61/412359561.db2.gz VEMRPIAQTAEPQZ-JTQLQIEISA-N 1 0 249.314 0.984 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)Nc1nncs1 ZINC000330445487 412293113 /nfs/dbraw/zinc/29/31/13/412293113.db2.gz UIXWPWPVZFFMBS-UHFFFAOYSA-N 1 0 243.336 1.204 20 30 BCEDRO Cc1cc(C#N)nc(NCC[C@H](C)[NH+](C)C)n1 ZINC000596429715 412302403 /nfs/dbraw/zinc/30/24/03/412302403.db2.gz ITDVGKRCBKIDNY-JTQLQIEISA-N 1 0 233.319 1.409 20 30 BCEDRO C=CC[C@@]1(C(=O)N[C@@H]2CCOC2)CCC[NH2+]1 ZINC000662791574 412304110 /nfs/dbraw/zinc/30/41/10/412304110.db2.gz BGUNUXKRDIHRLN-PWSUYJOCSA-N 1 0 224.304 0.590 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663010657 412370108 /nfs/dbraw/zinc/37/01/08/412370108.db2.gz KJMFZZARPMPFAQ-CMPLNLGQSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000133021421 412390757 /nfs/dbraw/zinc/39/07/57/412390757.db2.gz UQSPYHNKGVPRIJ-VHSXEESVSA-N 1 0 212.293 0.527 20 30 BCEDRO CCn1cc(C[NH2+]CCn2cnc(C#N)n2)cn1 ZINC000353037657 172170088 /nfs/dbraw/zinc/17/00/88/172170088.db2.gz KDMQYORGUVBNGY-UHFFFAOYSA-N 1 0 245.290 0.156 20 30 BCEDRO CN(C(=[NH2+])NCC(F)(F)CO)C1CC1 ZINC000184823681 172292180 /nfs/dbraw/zinc/29/21/80/172292180.db2.gz DYGSFSPCNPGFAG-UHFFFAOYSA-N 1 0 207.224 0.023 20 30 BCEDRO CN(C)C(=O)CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000054828041 172360328 /nfs/dbraw/zinc/36/03/28/172360328.db2.gz BQHHYQLPYLKQRW-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO CN(C)C(=O)NCC[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000407993110 172379121 /nfs/dbraw/zinc/37/91/21/172379121.db2.gz LJLRFGMAGZAPHR-GHMZBOCLSA-N 1 0 238.335 0.882 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1cnc(C#N)cn1 ZINC000128207497 172492236 /nfs/dbraw/zinc/49/22/36/172492236.db2.gz YLKKLVAQRIIKHD-NSHDSACASA-N 1 0 235.291 0.073 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000133321176 173056797 /nfs/dbraw/zinc/05/67/97/173056797.db2.gz OMSJKEMYSXUDLM-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(C#N)cn1 ZINC000068806867 173074743 /nfs/dbraw/zinc/07/47/43/173074743.db2.gz HTNZBOKGJLPFGM-GFCCVEGCSA-N 1 0 245.330 0.611 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNCc1ccc(C#N)o1 ZINC000135182658 173076231 /nfs/dbraw/zinc/07/62/31/173076231.db2.gz PTKYKLCFOUCMBX-LLVKDONJSA-N 1 0 248.330 0.487 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3cnccc3C#N)C[C@H]21 ZINC000329097497 173104533 /nfs/dbraw/zinc/10/45/33/173104533.db2.gz LPYRPAKPCJNLNY-CHWSQXEVSA-N 1 0 244.298 0.472 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3cccnc3C#N)C[C@@H]21 ZINC000329704732 173105617 /nfs/dbraw/zinc/10/56/17/173105617.db2.gz IXLASTHSJXSDST-QWHCGFSZSA-N 1 0 244.298 0.472 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNc2nccnc2C#N)C1 ZINC000054377430 173118521 /nfs/dbraw/zinc/11/85/21/173118521.db2.gz CBTDPJFEOLAGID-VIFPVBQESA-N 1 0 217.276 0.712 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000181280114 173144803 /nfs/dbraw/zinc/14/48/03/173144803.db2.gz SVBDLKXEVBULED-SECBINFHSA-N 1 0 232.287 0.568 20 30 BCEDRO C[N@@H+]1CC[C@]2(CCN(c3nccnc3C#N)C2)C1 ZINC000292283290 173166726 /nfs/dbraw/zinc/16/67/26/173166726.db2.gz MMAPACLJZUNJQR-ZDUSSCGKSA-N 1 0 243.314 0.880 20 30 BCEDRO C[N@@H+]1CC[C@]2(CCN(c3cnc(C#N)cn3)C2)C1 ZINC000292313643 173168522 /nfs/dbraw/zinc/16/85/22/173168522.db2.gz OLYIUPCWPWNUCD-ZDUSSCGKSA-N 1 0 243.314 0.880 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3ccc(C#N)nn3)C[C@H]2C1 ZINC000302859582 173199486 /nfs/dbraw/zinc/19/94/86/173199486.db2.gz OGRXOGQYENONCI-AOOOYVTPSA-N 1 0 229.287 0.346 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3nccnc3C#N)C[C@H]2C1 ZINC000278791542 173200472 /nfs/dbraw/zinc/20/04/72/173200472.db2.gz QHYCIJUOSOVTLN-AOOOYVTPSA-N 1 0 229.287 0.346 20 30 BCEDRO CNC(=O)CC[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191314947 173250039 /nfs/dbraw/zinc/25/00/39/173250039.db2.gz KJUCVHOWXDDJBV-UHFFFAOYSA-N 1 0 234.303 0.465 20 30 BCEDRO CNC(=O)[C@@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000037749369 173294926 /nfs/dbraw/zinc/29/49/26/173294926.db2.gz NNBAVINOWWRQMI-SECBINFHSA-N 1 0 217.272 0.782 20 30 BCEDRO COCCN1CC[C@@H]([NH2+]CC(C)(C)C#N)C1 ZINC000336777478 174312759 /nfs/dbraw/zinc/31/27/59/174312759.db2.gz IOOOATJNPUKHJM-LLVKDONJSA-N 1 0 225.336 0.846 20 30 BCEDRO COCCN1CC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000266172221 174315108 /nfs/dbraw/zinc/31/51/08/174315108.db2.gz CTCGDUHNXMZWFZ-NSHDSACASA-N 1 0 249.314 0.962 20 30 BCEDRO COc1cc(CN(C)CC[NH3+])ccc1C#N ZINC000234798430 174978848 /nfs/dbraw/zinc/97/88/48/174978848.db2.gz PYVCEINHNKUUHC-UHFFFAOYSA-N 1 0 219.288 0.957 20 30 BCEDRO COc1cc(C[NH2+]CCO)ccc1C#N ZINC000234841461 174984208 /nfs/dbraw/zinc/98/42/08/174984208.db2.gz KZMIRTLVZLXNCK-UHFFFAOYSA-N 1 0 206.245 0.649 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1ccc(C#N)cc1 ZINC000037749576 175863371 /nfs/dbraw/zinc/86/33/71/175863371.db2.gz GVXWOLHGDFDCOB-MRVPVSSYSA-N 1 0 246.270 0.404 20 30 BCEDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1cccc(C#N)c1 ZINC000295851550 175917532 /nfs/dbraw/zinc/91/75/32/175917532.db2.gz DXTVBLOANLUEKL-OASPWFOLSA-N 1 0 232.283 0.969 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000668296955 487633214 /nfs/dbraw/zinc/63/32/14/487633214.db2.gz CCONIPMCWQHSOW-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2COC3(CCCC3)O2)N1 ZINC000262669167 176322828 /nfs/dbraw/zinc/32/28/28/176322828.db2.gz QENVRSFVAYYXLT-NXEZZACHSA-N 1 0 239.319 0.609 20 30 BCEDRO C[C@H](CC1CC1)[NH2+]CCn1cnc(C#N)n1 ZINC000336741877 176612520 /nfs/dbraw/zinc/61/25/20/176612520.db2.gz NOYXQHNZRGKGAM-SECBINFHSA-N 1 0 219.292 0.928 20 30 BCEDRO C[C@H]1C[N@H+](CCCCC#N)C[C@H](CO)O1 ZINC000191718251 177247844 /nfs/dbraw/zinc/24/78/44/177247844.db2.gz AOBMXPPSHVKFSH-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO C[C@H]1CN(c2cnc(C#N)cn2)C[C@@H]1[NH+](C)C ZINC000124044880 177277272 /nfs/dbraw/zinc/27/72/72/177277272.db2.gz YBDZYOLSGZNIRO-ONGXEEELSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@H]1CN(c2nccnc2C#N)C[C@@H]1[NH+](C)C ZINC000123980551 177278973 /nfs/dbraw/zinc/27/89/73/177278973.db2.gz WHIZYMNKUGAHLP-ONGXEEELSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(CC#N)CC1 ZINC000487590758 225316998 /nfs/dbraw/zinc/31/69/98/225316998.db2.gz XXOHJCSORRQYGZ-QWRGUYRKSA-N 1 0 235.331 0.994 20 30 BCEDRO N#Cc1cncc(NCC[NH+]2CCCC2)n1 ZINC000401234857 226353689 /nfs/dbraw/zinc/35/36/89/226353689.db2.gz QHJVQCXJDYHTTF-UHFFFAOYSA-N 1 0 217.276 0.856 20 30 BCEDRO COCC#CC[NH+]1CCC(C)(CO)CC1 ZINC000680817606 487651490 /nfs/dbraw/zinc/65/14/90/487651490.db2.gz NYAGOQZNAOZZLX-UHFFFAOYSA-N 1 0 211.305 0.731 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H](O)C=C)CC1 ZINC000668368894 487657988 /nfs/dbraw/zinc/65/79/88/487657988.db2.gz JVLKWYXAHULCAK-LLVKDONJSA-N 1 0 224.304 0.300 20 30 BCEDRO CCOC[C@@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895162911 583611097 /nfs/dbraw/zinc/61/10/97/583611097.db2.gz PJGYXOOFXDXBIS-BDAKNGLRSA-N 1 0 216.281 0.381 20 30 BCEDRO C=CCNC(=O)[C@@]1(C(F)(F)F)CC[NH2+]C1 ZINC000082557325 487672268 /nfs/dbraw/zinc/67/22/68/487672268.db2.gz CHKZNKNQYNRJCI-MRVPVSSYSA-N 1 0 222.210 0.831 20 30 BCEDRO COCC#CCN1CC[N@H+](C[C@@H](C)O)C[C@H]1C ZINC000669692938 487677595 /nfs/dbraw/zinc/67/75/95/487677595.db2.gz KNVLDKXSWLFZKO-CHWSQXEVSA-N 1 0 240.347 0.023 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)N[C@H](C)C[NH2+]C ZINC000659644830 487695393 /nfs/dbraw/zinc/69/53/93/487695393.db2.gz ZPMQSGUGNLYYFP-ZJUUUORDSA-N 1 0 229.324 0.221 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000671708387 487700723 /nfs/dbraw/zinc/70/07/23/487700723.db2.gz PHSDPAAKEAPYRR-UWVGGRQHSA-N 1 0 212.293 0.086 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCC(=O)NC2)C1 ZINC000336733933 487710374 /nfs/dbraw/zinc/71/03/74/487710374.db2.gz MSWCIGOOOOZMSC-KXUCPTDWSA-N 1 0 207.277 0.547 20 30 BCEDRO COCC#CCN1CCOC[C@@H]1CC(F)F ZINC000671733227 487713518 /nfs/dbraw/zinc/71/35/18/487713518.db2.gz FDBDLDOHNHDGNO-JTQLQIEISA-N 1 0 233.258 0.992 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000682039848 487719874 /nfs/dbraw/zinc/71/98/74/487719874.db2.gz XPWLVQGYJBMSCB-NEPJUHHUSA-N 1 0 229.320 0.397 20 30 BCEDRO C#CCCNC(=O)C12CCC[NH+]1CCC2 ZINC000291342946 487758208 /nfs/dbraw/zinc/75/82/08/487758208.db2.gz QYVDFQXCJMBXDL-UHFFFAOYSA-N 1 0 206.289 0.754 20 30 BCEDRO C#CCCC[N@@H+](CCCO)CC(OC)OC ZINC000759868599 585381552 /nfs/dbraw/zinc/38/15/52/585381552.db2.gz DYYFIPVYYHQGTC-UHFFFAOYSA-N 1 0 229.320 0.703 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCCC[N@@H+](C)CCOC ZINC000666341951 487790000 /nfs/dbraw/zinc/79/00/00/487790000.db2.gz BBGBINQAUKQQRL-LBPRGKRZSA-N 1 0 244.335 0.008 20 30 BCEDRO CON=CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000773923385 585646522 /nfs/dbraw/zinc/64/65/22/585646522.db2.gz QBHXBDLNRDANIN-SECBINFHSA-N 1 0 213.281 0.171 20 30 BCEDRO CON=CC(=O)NCC(C)(C)[NH+](C)C ZINC000774353361 585656680 /nfs/dbraw/zinc/65/66/80/585656680.db2.gz DYUPFWGECSPSCV-UHFFFAOYSA-N 1 0 201.270 0.075 20 30 BCEDRO COCC#CC[N@H+](C)[C@H](CO)CC(C)C ZINC000681466187 487799317 /nfs/dbraw/zinc/79/93/17/487799317.db2.gz RBKUYGVZDQQJPQ-LBPRGKRZSA-N 1 0 213.321 0.975 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000668475877 487802126 /nfs/dbraw/zinc/80/21/26/487802126.db2.gz SSYIOQUGZASMLF-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO COCC#CC[N@H+](C)CC1=CCCOC1 ZINC000661652746 487802482 /nfs/dbraw/zinc/80/24/82/487802482.db2.gz BVPMYINNYJYUFX-UHFFFAOYSA-N 1 0 209.289 0.915 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000666427717 487806694 /nfs/dbraw/zinc/80/66/94/487806694.db2.gz BMSZRZQNERURRD-AAEUAGOBSA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@H](CO)NN=C1CCC[C@@H]([NH+](C)C)C1 ZINC000788434005 585923009 /nfs/dbraw/zinc/92/30/09/585923009.db2.gz PRBAVMMXXRPWIX-MWLCHTKSSA-N 1 0 213.325 0.817 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C)C[S@](C)=O ZINC000791393186 585980157 /nfs/dbraw/zinc/98/01/57/585980157.db2.gz AKILQZDPHJAEQZ-QFYYESIMSA-N 1 0 246.376 0.330 20 30 BCEDRO C=CCCc1noc(C[C@@H](C[NH3+])OC)n1 ZINC000823264225 587212082 /nfs/dbraw/zinc/21/20/82/587212082.db2.gz RNBSLTSQSACZDU-QMMMGPOBSA-N 1 0 211.265 0.704 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000313069387 322946932 /nfs/dbraw/zinc/94/69/32/322946932.db2.gz RWGIRCDHHBSHME-NXEZZACHSA-N 1 0 226.320 0.692 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000668095389 487836346 /nfs/dbraw/zinc/83/63/46/487836346.db2.gz IEYFOLSOMWMGRN-SKDRFNHKSA-N 1 0 226.320 0.522 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000666607862 487840677 /nfs/dbraw/zinc/84/06/77/487840677.db2.gz DMWNKHJGKZLMQM-GVXVVHGQSA-N 1 0 238.331 0.666 20 30 BCEDRO CNC(NC[C@@](C)(O)CCC(C)C)=[NH+]C ZINC000849214489 588461980 /nfs/dbraw/zinc/46/19/80/588461980.db2.gz DRSFBPOTDSBLHI-NSHDSACASA-N 1 0 215.341 0.968 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H]2[C@@H](C1)C2(F)F ZINC000852212634 588672533 /nfs/dbraw/zinc/67/25/33/588672533.db2.gz DQMZTNUMQNFKQF-DTORHVGOSA-N 1 0 201.216 0.833 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CCC)CCO ZINC000872217788 589895847 /nfs/dbraw/zinc/89/58/47/589895847.db2.gz GCASQVWTFVKTPA-LLVKDONJSA-N 1 0 226.320 0.267 20 30 BCEDRO CCCNC(=[NH2+])NCC(C)(C)C(=O)NCC ZINC000157408176 632430026 /nfs/dbraw/zinc/43/00/26/632430026.db2.gz PKYCIHJNZQSBGQ-UHFFFAOYSA-N 1 0 228.340 0.463 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H](CF)C1 ZINC000931682063 640311416 /nfs/dbraw/zinc/31/14/16/640311416.db2.gz HCZPGTBHILRWQE-VHSXEESVSA-N 1 0 200.257 0.942 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](OCCOC)C1 ZINC000682037509 487888136 /nfs/dbraw/zinc/88/81/36/487888136.db2.gz FXTGJCOCPKGTNF-VXGBXAGGSA-N 1 0 229.320 0.661 20 30 BCEDRO C=C[C@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000229221064 487895087 /nfs/dbraw/zinc/89/50/87/487895087.db2.gz DMTKRFAMTOZBJB-ZETCQYMHSA-N 1 0 225.317 0.949 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000666913227 487902725 /nfs/dbraw/zinc/90/27/25/487902725.db2.gz FYZIQRBACKVUEM-ONGXEEELSA-N 1 0 224.304 0.134 20 30 BCEDRO CC[C@@]1(CO)CCC[N@@H+]1CC#CCOC ZINC000682222281 487929925 /nfs/dbraw/zinc/92/99/25/487929925.db2.gz NJHWTXYGPXZQSR-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CCCOCC(=O)NCC[NH+]1CCC1 ZINC000676948325 487948371 /nfs/dbraw/zinc/94/83/71/487948371.db2.gz GIRUIKIVJRLRAZ-UHFFFAOYSA-N 1 0 212.293 0.401 20 30 BCEDRO C=CCCOCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000676998445 487952887 /nfs/dbraw/zinc/95/28/87/487952887.db2.gz UOMKDFBCWIHPEG-LBPRGKRZSA-N 1 0 244.335 0.008 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)C(C)(C)C ZINC000294066194 322972065 /nfs/dbraw/zinc/97/20/65/322972065.db2.gz KHICRYFDNTUFRP-SNVBAGLBSA-N 1 0 226.320 0.123 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OC)C1 ZINC000246059236 323008027 /nfs/dbraw/zinc/00/80/27/323008027.db2.gz ABQZRHGQQULWKO-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO CO[C@@H](C)C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000572722172 323036563 /nfs/dbraw/zinc/03/65/63/323036563.db2.gz SDBVXZDBQQWLFP-VIFPVBQESA-N 1 0 245.286 0.725 20 30 BCEDRO CSC[C@@H](O)C[NH+]1CCC(C#N)CC1 ZINC000187789226 323037542 /nfs/dbraw/zinc/03/75/42/323037542.db2.gz MXMKOCDASMLNDB-JTQLQIEISA-N 1 0 214.334 0.946 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000569808785 323041138 /nfs/dbraw/zinc/04/11/38/323041138.db2.gz NDYNZRUUOQFCKD-BJDJZHNGSA-N 1 0 238.331 0.692 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000569814397 323041319 /nfs/dbraw/zinc/04/13/19/323041319.db2.gz WWPHWEAJNIZDRE-RKDXNWHRSA-N 1 0 231.321 0.041 20 30 BCEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCCC[NH3+] ZINC000569820402 323041800 /nfs/dbraw/zinc/04/18/00/323041800.db2.gz NTCKGSSFWLKIBE-JTQLQIEISA-N 1 0 247.298 0.791 20 30 BCEDRO N#CCC[NH2+][C@@H](CCO)C1CCOCC1 ZINC000569928006 323044485 /nfs/dbraw/zinc/04/44/85/323044485.db2.gz UMBQEUIZDFOGNF-NSHDSACASA-N 1 0 212.293 0.667 20 30 BCEDRO C[C@H](CO)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000570104962 323050052 /nfs/dbraw/zinc/05/00/52/323050052.db2.gz RUMXQTPSRVFBGN-SECBINFHSA-N 1 0 205.261 0.766 20 30 BCEDRO COCC[C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000570155333 323051202 /nfs/dbraw/zinc/05/12/02/323051202.db2.gz JWAVXVTWNVPACC-RYUDHWBXSA-N 1 0 243.351 0.207 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000570692391 323067335 /nfs/dbraw/zinc/06/73/35/323067335.db2.gz DINJHKMFIMWXCA-JTQLQIEISA-N 1 0 237.303 0.175 20 30 BCEDRO CC(C)OC[C@@H](O)C[NH2+]CCCC#N ZINC000563012909 323079892 /nfs/dbraw/zinc/07/98/92/323079892.db2.gz CYVNIPSBMCOKOF-JTQLQIEISA-N 1 0 200.282 0.666 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000364801333 323085388 /nfs/dbraw/zinc/08/53/88/323085388.db2.gz CVOSSAZBIQFQOQ-NSHDSACASA-N 1 0 208.261 0.584 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000563138061 323094837 /nfs/dbraw/zinc/09/48/37/323094837.db2.gz KHTRBYUHTQUQJA-JGVFFNPUSA-N 1 0 227.226 0.684 20 30 BCEDRO C[NH2+]CCCN(C)C(=O)c1ccc(C#N)c(C)n1 ZINC000563339837 323119312 /nfs/dbraw/zinc/11/93/12/323119312.db2.gz UCOCIPUTWBNZDZ-UHFFFAOYSA-N 1 0 246.314 0.943 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCNC(=O)NC(C)C ZINC000563366492 323121472 /nfs/dbraw/zinc/12/14/72/323121472.db2.gz QWQGFCDOUPIOJO-JTQLQIEISA-N 1 0 226.324 0.976 20 30 BCEDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cc(C#N)ncn1 ZINC000310286547 323129907 /nfs/dbraw/zinc/12/99/07/323129907.db2.gz MLFOIXWOADGLBM-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@H]([NH3+])CCC(=O)Nc1n[nH]cc1C#N ZINC000563623052 323132148 /nfs/dbraw/zinc/13/21/48/323132148.db2.gz FKVLXGZLFZTPHR-LURJTMIESA-N 1 0 207.237 0.347 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000571158633 323136878 /nfs/dbraw/zinc/13/68/78/323136878.db2.gz PXEMPLUNYKAEGI-UTUOFQBUSA-N 1 0 237.303 0.177 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnnn1C ZINC000571157071 323136992 /nfs/dbraw/zinc/13/69/92/323136992.db2.gz AFSPYDOVALYYBI-ONGXEEELSA-N 1 0 222.292 0.496 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000571397223 323143581 /nfs/dbraw/zinc/14/35/81/323143581.db2.gz XMUHAJCDAFEFEG-YVECIDJPSA-N 1 0 237.347 0.581 20 30 BCEDRO C=C1CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)CC1 ZINC000571458167 323145579 /nfs/dbraw/zinc/14/55/79/323145579.db2.gz YAGWAARGGKVUDE-SNVBAGLBSA-N 1 0 240.303 0.446 20 30 BCEDRO N#Cc1cncc(S(=O)(=O)[N-]c2c[nH]cn2)c1 ZINC000571608407 323149222 /nfs/dbraw/zinc/14/92/22/323149222.db2.gz GMOSQUFQZHERPG-UHFFFAOYSA-N 1 0 249.255 0.477 20 30 BCEDRO C=CCOCCCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000571634130 323150221 /nfs/dbraw/zinc/15/02/21/323150221.db2.gz RUHACZWUZCTSFH-NSHDSACASA-N 1 0 242.319 0.074 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000571634128 323150253 /nfs/dbraw/zinc/15/02/53/323150253.db2.gz RUHACZWUZCTSFH-LLVKDONJSA-N 1 0 242.319 0.074 20 30 BCEDRO C#CC[N@H+](C)CCCNc1nccn2cnnc12 ZINC000292667417 323151223 /nfs/dbraw/zinc/15/12/23/323151223.db2.gz CWOBERVROCKWCW-UHFFFAOYSA-N 1 0 244.302 0.491 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000305162117 323167830 /nfs/dbraw/zinc/16/78/30/323167830.db2.gz FUPZTOWHBKJVBS-QJPTWQEYSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](COC)C1 ZINC000112987228 323173063 /nfs/dbraw/zinc/17/30/63/323173063.db2.gz AOKLRVRLOZFPMK-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](C(=O)NCCC)C1 ZINC000051043220 323173100 /nfs/dbraw/zinc/17/31/00/323173100.db2.gz TZLWPNIKSOHLSM-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCCOCC[NH+](C)C ZINC000526075329 323185303 /nfs/dbraw/zinc/18/53/03/323185303.db2.gz NUMQLBYVZALXSH-JTQLQIEISA-N 1 0 242.323 0.023 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCCOCC[NH+](C)C ZINC000526075330 323185350 /nfs/dbraw/zinc/18/53/50/323185350.db2.gz NUMQLBYVZALXSH-SNVBAGLBSA-N 1 0 242.323 0.023 20 30 BCEDRO C#CC[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000052134264 323192545 /nfs/dbraw/zinc/19/25/45/323192545.db2.gz JHQYIAXXPLTYRA-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO COCC[NH+]1CCN(CCCC#N)CC1 ZINC000054187859 323202963 /nfs/dbraw/zinc/20/29/63/323202963.db2.gz QVPGQFIWQUBCFM-UHFFFAOYSA-N 1 0 211.309 0.554 20 30 BCEDRO C=CCC[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000532711298 323291521 /nfs/dbraw/zinc/29/15/21/323291521.db2.gz IZCMMGGETONPSW-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC000309391419 323371410 /nfs/dbraw/zinc/37/14/10/323371410.db2.gz SGNWZGIJRFROLB-VIFPVBQESA-N 1 0 217.276 0.712 20 30 BCEDRO N#Cc1cc(=O)n(CCC2CC[NH2+]CC2)cn1 ZINC000571759117 323473429 /nfs/dbraw/zinc/47/34/29/323473429.db2.gz AVWHERTWOMBLOA-UHFFFAOYSA-N 1 0 232.287 0.505 20 30 BCEDRO C[C@H](C[NH3+])N(C)C(=O)COc1ccc(C#N)cc1 ZINC000572052061 323533439 /nfs/dbraw/zinc/53/34/39/323533439.db2.gz DJDUPJUTJOJCFL-SNVBAGLBSA-N 1 0 247.298 0.743 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000302378607 487959213 /nfs/dbraw/zinc/95/92/13/487959213.db2.gz LRJCZDNVBVHLGP-NSHDSACASA-N 1 0 238.331 0.695 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCN(C2CC2)CC1 ZINC000677047655 487959265 /nfs/dbraw/zinc/95/92/65/487959265.db2.gz DVDJWUMFZUUEFK-LBPRGKRZSA-N 1 0 210.321 0.703 20 30 BCEDRO CC#CC[N@@H+](C)C[C@@H](O)CC(=O)OCC ZINC000599431090 487961415 /nfs/dbraw/zinc/96/14/15/487961415.db2.gz QIYPGWDRYQFZKN-JTQLQIEISA-N 1 0 213.277 0.256 20 30 BCEDRO C[C@H]1C[C@@H](C(=O)NC2(C#N)CC2)CC[N@@H+]1C ZINC000537225067 324060323 /nfs/dbraw/zinc/06/03/23/324060323.db2.gz QXXQWCFUUNJYKG-UWVGGRQHSA-N 1 0 221.304 0.889 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1ccc2[nH]cnc2c1 ZINC000537415135 324068570 /nfs/dbraw/zinc/06/85/70/324068570.db2.gz IADPVXFLXJPKAG-UHFFFAOYSA-N 1 0 244.298 0.955 20 30 BCEDRO C#CCN(CC#CC)C(=O)C[N@@H+](C)CCC ZINC000490680194 324154841 /nfs/dbraw/zinc/15/48/41/324154841.db2.gz YNURCBKYVGRKGN-UHFFFAOYSA-N 1 0 220.316 0.813 20 30 BCEDRO C=CCOCCNC(=O)COC1CC[NH2+]CC1 ZINC000302450896 487964554 /nfs/dbraw/zinc/96/45/54/487964554.db2.gz VRGGDOYGBGFXHX-UHFFFAOYSA-N 1 0 242.319 0.074 20 30 BCEDRO C=CCCn1cc(CN2CC[C@@H](CO)C2)nn1 ZINC000653558603 487964744 /nfs/dbraw/zinc/96/47/44/487964744.db2.gz LUOBCGAGJSJMHT-LLVKDONJSA-N 1 0 236.319 0.668 20 30 BCEDRO C#CCN(CCCC)[C@@H]1CCS(=O)(=O)C1 ZINC000071015836 325050063 /nfs/dbraw/zinc/05/00/63/325050063.db2.gz YRRDNARORWFHKN-LLVKDONJSA-N 1 0 229.345 0.909 20 30 BCEDRO CC[NH+](CC)CCOCCNC(=O)[C@H](C)C#N ZINC000544587035 325150724 /nfs/dbraw/zinc/15/07/24/325150724.db2.gz XPRRCOPNIIHFQR-LLVKDONJSA-N 1 0 241.335 0.621 20 30 BCEDRO N#CC1CCN(c2cc[nH+]cc2C(N)=O)CC1 ZINC000545158595 325180889 /nfs/dbraw/zinc/18/08/89/325180889.db2.gz XFFANTCOBBISLN-UHFFFAOYSA-N 1 0 230.271 0.920 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000133644554 325306218 /nfs/dbraw/zinc/30/62/18/325306218.db2.gz DQSFSSMYKKWQIA-GRYCIOLGSA-N 1 0 239.363 0.607 20 30 BCEDRO C#CCNC(=O)N(CC[NH+](C)C)CC(C)C ZINC000079264114 325448299 /nfs/dbraw/zinc/44/82/99/325448299.db2.gz YKRJHMUNTXPFPP-UHFFFAOYSA-N 1 0 225.336 0.849 20 30 BCEDRO C[C@@H](CC[NH3+])NC(=O)COc1ccc(C#N)cc1 ZINC000565151741 325862824 /nfs/dbraw/zinc/86/28/24/325862824.db2.gz PMOHMNBASMSDCQ-JTQLQIEISA-N 1 0 247.298 0.791 20 30 BCEDRO COC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C(C)C ZINC000566094635 325993765 /nfs/dbraw/zinc/99/37/65/325993765.db2.gz KFYSBEDTFVIGEH-GHMZBOCLSA-N 1 0 241.335 0.795 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CC[NH2+]CC[C@H]2C)nn1 ZINC000566103822 325995508 /nfs/dbraw/zinc/99/55/08/325995508.db2.gz NCTPOOMRRODBHP-DGCLKSJQSA-N 1 0 249.362 0.942 20 30 BCEDRO CC(=O)NCC[N@@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000566186089 326008481 /nfs/dbraw/zinc/00/84/81/326008481.db2.gz HCTWUOOJNHLZOD-WDEREUQCSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000673520641 487971561 /nfs/dbraw/zinc/97/15/61/487971561.db2.gz FRPZXZMHJAGTDN-GHMZBOCLSA-N 1 0 244.335 0.006 20 30 BCEDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000566416923 326042741 /nfs/dbraw/zinc/04/27/41/326042741.db2.gz QJDNRLMSDFSKAD-CYBMUJFWSA-N 1 0 244.298 0.651 20 30 BCEDRO C=CCNC(=O)CN1CC2CCC1(C[NH3+])CC2 ZINC000566480202 326055119 /nfs/dbraw/zinc/05/51/19/326055119.db2.gz JCWGIUHDUWSXEE-UHFFFAOYSA-N 1 0 237.347 0.492 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000673520642 487971478 /nfs/dbraw/zinc/97/14/78/487971478.db2.gz FRPZXZMHJAGTDN-MNOVXSKESA-N 1 0 244.335 0.006 20 30 BCEDRO C[C@@H]1CN(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)CCO1 ZINC000567212356 326139071 /nfs/dbraw/zinc/13/90/71/326139071.db2.gz ALUNLMSJDKVADU-JHJVBQTASA-N 1 0 237.347 0.989 20 30 BCEDRO CCCN(CC#N)C[C@@H](O)C[N@H+](C)CCOC ZINC000310550984 326194873 /nfs/dbraw/zinc/19/48/73/326194873.db2.gz UNIJBWYXYKGXTB-LBPRGKRZSA-N 1 0 243.351 0.161 20 30 BCEDRO COCCOC[C@@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000567701380 326247804 /nfs/dbraw/zinc/24/78/04/326247804.db2.gz ATIRPOAHHRMNKF-NSHDSACASA-N 1 0 242.319 0.294 20 30 BCEDRO C=CCCCC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000567733801 326252867 /nfs/dbraw/zinc/25/28/67/326252867.db2.gz SMBBLEAACSGDJX-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO COCC[N@H+](C)CCCNc1ncncc1C#N ZINC000567894457 326278399 /nfs/dbraw/zinc/27/83/99/326278399.db2.gz YQUHZFMETVNUAZ-UHFFFAOYSA-N 1 0 249.318 0.150 20 30 BCEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000568002397 326294417 /nfs/dbraw/zinc/29/44/17/326294417.db2.gz SCGRPXWHZFTCBU-RYUDHWBXSA-N 1 0 240.347 0.991 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000568391932 326353514 /nfs/dbraw/zinc/35/35/14/326353514.db2.gz VQSDSMRSLPJUPU-WCQYABFASA-N 1 0 242.363 0.216 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000568391931 326353554 /nfs/dbraw/zinc/35/35/54/326353554.db2.gz VQSDSMRSLPJUPU-DGCLKSJQSA-N 1 0 242.363 0.216 20 30 BCEDRO N#Cc1nccc(NCC23CCC[NH+]2CCC3)n1 ZINC000568415064 326356320 /nfs/dbraw/zinc/35/63/20/326356320.db2.gz FJCAXROHYGATPG-UHFFFAOYSA-N 1 0 243.314 0.810 20 30 BCEDRO C=CC[N@@H+](CCOC)CC1(CO)COC1 ZINC000568713724 326373026 /nfs/dbraw/zinc/37/30/26/326373026.db2.gz KEAKIOZCWGEPNX-UHFFFAOYSA-N 1 0 215.293 0.130 20 30 BCEDRO CC[C@H](COC)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000568873318 326380430 /nfs/dbraw/zinc/38/04/30/326380430.db2.gz STCVGYDKYGRAHC-VXGBXAGGSA-N 1 0 243.351 0.207 20 30 BCEDRO CC[NH2+]CCCNC(=O)c1ccc(C#N)c(C)n1 ZINC000569254412 326397864 /nfs/dbraw/zinc/39/78/64/326397864.db2.gz NWPKQTBBMYLECC-UHFFFAOYSA-N 1 0 246.314 0.991 20 30 BCEDRO CCC(CC)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000572940434 326419917 /nfs/dbraw/zinc/41/99/17/326419917.db2.gz WBMZFFCRMCFIAK-LBPRGKRZSA-N 1 0 227.352 0.971 20 30 BCEDRO COCC[C@H](C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000572981949 326422704 /nfs/dbraw/zinc/42/27/04/326422704.db2.gz GIFSUWKWYSBMFT-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@H](C)OC ZINC000167152991 326439357 /nfs/dbraw/zinc/43/93/57/326439357.db2.gz VXSSONPNTMRTGV-ZJUUUORDSA-N 1 0 212.293 0.139 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000677133189 487980192 /nfs/dbraw/zinc/98/01/92/487980192.db2.gz LVMDANWGDARODR-CYBMUJFWSA-N 1 0 238.331 0.484 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)CCOCCOCC ZINC000682537513 487981050 /nfs/dbraw/zinc/98/10/50/487981050.db2.gz BGNDCLDCGJLVJV-GFCCVEGCSA-N 1 0 231.336 0.908 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000667376294 487990049 /nfs/dbraw/zinc/99/00/49/487990049.db2.gz NWKDLUGIYRJDDK-MNOVXSKESA-N 1 0 226.320 0.380 20 30 BCEDRO C=C(C)CS(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655632649 488000449 /nfs/dbraw/zinc/00/04/49/488000449.db2.gz OWWXRLQDCKQOOS-PHIMTYICSA-N 1 0 246.376 0.822 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000669123628 488011928 /nfs/dbraw/zinc/01/19/28/488011928.db2.gz HBOVJYYMQYVLFD-SRVKXCTJSA-N 1 0 240.347 0.722 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000491068311 488029467 /nfs/dbraw/zinc/02/94/67/488029467.db2.gz NUVANURTZPJTMA-RYUDHWBXSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000491068309 488029996 /nfs/dbraw/zinc/02/99/96/488029996.db2.gz NUVANURTZPJTMA-NEPJUHHUSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)C[C@H](O)CO[C@H](C)COC ZINC000491788988 488040316 /nfs/dbraw/zinc/04/03/16/488040316.db2.gz UARGDWYVQWNJAT-NEPJUHHUSA-N 1 0 243.347 0.742 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+](C)CCCC ZINC000668639088 488039796 /nfs/dbraw/zinc/03/97/96/488039796.db2.gz SYSQMPRQNIFQNN-LBPRGKRZSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000667562957 488047074 /nfs/dbraw/zinc/04/70/74/488047074.db2.gz PTLMRAJSTADMQZ-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000396669625 488069474 /nfs/dbraw/zinc/06/94/74/488069474.db2.gz YAHBRHBDNQYMKU-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000396669623 488069491 /nfs/dbraw/zinc/06/94/91/488069491.db2.gz YAHBRHBDNQYMKU-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)C2CCC2)C1=O ZINC000661153044 488081185 /nfs/dbraw/zinc/08/11/85/488081185.db2.gz HRJHKEBVPHNRBY-VXGBXAGGSA-N 1 0 238.331 0.524 20 30 BCEDRO COCC#CCN1CCC[C@H]([NH+](C)C)C1 ZINC000677478437 488104733 /nfs/dbraw/zinc/10/47/33/488104733.db2.gz YMCOUWHOEKLDOR-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO COCC#CCN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000683099082 488107094 /nfs/dbraw/zinc/10/70/94/488107094.db2.gz MNRLKSCTSOETIS-ZDUSSCGKSA-N 1 0 224.348 0.908 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000670110923 488123527 /nfs/dbraw/zinc/12/35/27/488123527.db2.gz AOVBGUCAZNBEPX-UWVGGRQHSA-N 1 0 203.257 0.330 20 30 BCEDRO COCC#CCN1CC[NH+](C(C)C)CC1 ZINC000677817297 488131686 /nfs/dbraw/zinc/13/16/86/488131686.db2.gz NSDGALFODQGFBZ-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO CC[N@@H+]1CCN(CC#CCOC)C[C@H]1C ZINC000677819580 488133910 /nfs/dbraw/zinc/13/39/10/488133910.db2.gz BDDPLGVSQAFXLW-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000669338256 487531268 /nfs/dbraw/zinc/53/12/68/487531268.db2.gz DUBGYEHUGPJMNG-NEPJUHHUSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC(n2ccnc2)C1 ZINC000668759560 487493189 /nfs/dbraw/zinc/49/31/89/487493189.db2.gz JTKZJQAXUGWFMX-LLVKDONJSA-N 1 0 221.260 0.203 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1cnn(C)c1 ZINC000268781771 487502722 /nfs/dbraw/zinc/50/27/22/487502722.db2.gz CKCCTPDGDLBJJP-SNVBAGLBSA-N 1 0 234.303 0.210 20 30 BCEDRO COCC#CC[N@H+](CCO)CC(C)(C)C ZINC000677817027 487505829 /nfs/dbraw/zinc/50/58/29/487505829.db2.gz FMQSTYKXUKGLFS-UHFFFAOYSA-N 1 0 213.321 0.977 20 30 BCEDRO C=CC[N@H+](C)CCCCS(C)(=O)=O ZINC000681696439 487508579 /nfs/dbraw/zinc/50/85/79/487508579.db2.gz AHEGICRSRLAFKU-UHFFFAOYSA-N 1 0 205.323 0.929 20 30 BCEDRO COCC#CC[N@H+](CC(N)=O)C1CCCC1 ZINC000677818469 487508946 /nfs/dbraw/zinc/50/89/46/487508946.db2.gz OWWKPVFFGBYTJR-UHFFFAOYSA-N 1 0 224.304 0.366 20 30 BCEDRO CCC#C[C@@H](C)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000681712290 487513938 /nfs/dbraw/zinc/51/39/38/487513938.db2.gz SVZWPUWEBSYBRF-OLZOCXBDSA-N 1 0 224.348 0.787 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H]1C[C@H](C)O ZINC000677819675 487515851 /nfs/dbraw/zinc/51/58/51/487515851.db2.gz KICNLNGPXPFWDF-RYUDHWBXSA-N 1 0 211.305 0.872 20 30 BCEDRO C=C[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000674934254 487658240 /nfs/dbraw/zinc/65/82/40/487658240.db2.gz VDOLGRIKEJTGCJ-ZJUUUORDSA-N 1 0 211.309 0.954 20 30 BCEDRO COCC#CC[NH+]1CCC(OCCO)CC1 ZINC000677819608 488134690 /nfs/dbraw/zinc/13/46/90/488134690.db2.gz DYTCTZGWJDDEHB-UHFFFAOYSA-N 1 0 227.304 0.110 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000677820227 488136974 /nfs/dbraw/zinc/13/69/74/488136974.db2.gz JQQKTXYJTXKKJN-GFCCVEGCSA-N 1 0 209.289 0.749 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000668703116 488139935 /nfs/dbraw/zinc/13/99/35/488139935.db2.gz XQUFDOFKXOKZED-KOLCDFICSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCOCCNC(=O)[C@H](C)C[NH2+]C ZINC000379494631 488140077 /nfs/dbraw/zinc/14/00/77/488140077.db2.gz WTHISUFYSMOVBT-SECBINFHSA-N 1 0 200.282 0.161 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCC(=O)NC(C)C ZINC000662165339 488141071 /nfs/dbraw/zinc/14/10/71/488141071.db2.gz CAQKQFOTNGZMQZ-SECBINFHSA-N 1 0 200.282 0.038 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000677950914 488164776 /nfs/dbraw/zinc/16/47/76/488164776.db2.gz DQCKPLXQNCLJOJ-RYUDHWBXSA-N 1 0 240.347 0.901 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000678049620 488186212 /nfs/dbraw/zinc/18/62/12/488186212.db2.gz NBMZMXSKTBVCTQ-QWHCGFSZSA-N 1 0 240.347 0.724 20 30 BCEDRO COCC#CCN1CCC[C@@H]1c1nncn1C ZINC000678087457 488195053 /nfs/dbraw/zinc/19/50/53/488195053.db2.gz SVDZHRMVLKODJV-LLVKDONJSA-N 1 0 234.303 0.602 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000668166447 488212997 /nfs/dbraw/zinc/21/29/97/488212997.db2.gz LHXRGTVFRWBKOO-VHSXEESVSA-N 1 0 209.293 0.566 20 30 BCEDRO C=CCOCCNC(=O)NCC(C)(C)[NH3+] ZINC000669555440 488216671 /nfs/dbraw/zinc/21/66/71/488216671.db2.gz YIKNKUPMIRPALE-UHFFFAOYSA-N 1 0 215.297 0.226 20 30 BCEDRO COCC#CCN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000678469900 488258426 /nfs/dbraw/zinc/25/84/26/488258426.db2.gz RGSXFEPQLHNWQJ-RYUDHWBXSA-N 1 0 210.321 0.661 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000684211310 488277622 /nfs/dbraw/zinc/27/76/22/488277622.db2.gz MGKOWGRMVJAJPV-AGIUHOORSA-N 1 0 241.331 0.803 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000684626639 488335280 /nfs/dbraw/zinc/33/52/80/488335280.db2.gz LNGAVTLLTAGNJB-AGIUHOORSA-N 1 0 241.331 0.803 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000684628507 488335934 /nfs/dbraw/zinc/33/59/34/488335934.db2.gz MAOCOMMYSVOBMA-PWSUYJOCSA-N 1 0 208.305 0.986 20 30 BCEDRO C=CCCOCC(=O)NCC[N@H+]1CC=CCC1 ZINC000684501941 488322626 /nfs/dbraw/zinc/32/26/26/488322626.db2.gz CCPNLFWKVKXILS-UHFFFAOYSA-N 1 0 238.331 0.957 20 30 BCEDRO C=CCOCC[NH2+]Cc1cnc(N(C)C)nc1 ZINC000679485576 488354555 /nfs/dbraw/zinc/35/45/55/488354555.db2.gz IRMAQYUBINSRII-UHFFFAOYSA-N 1 0 236.319 0.835 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000679578386 488359269 /nfs/dbraw/zinc/35/92/69/488359269.db2.gz GJMLAUPEMHOAGN-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCOCCNC(=O)C[N@@H+](C)C(C)C ZINC000679587112 488359756 /nfs/dbraw/zinc/35/97/56/488359756.db2.gz YRDUVZIZHPGONO-UHFFFAOYSA-N 1 0 214.309 0.645 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCC[N@@H+](C)CCOC ZINC000491793135 490119693 /nfs/dbraw/zinc/11/96/93/490119693.db2.gz JIKWLHGWWYIYCZ-LLVKDONJSA-N 1 0 241.335 0.228 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)C[C@H](C)C(=O)OC ZINC000611140413 490197483 /nfs/dbraw/zinc/19/74/83/490197483.db2.gz FZIPQBDITRVCOU-VHSXEESVSA-N 1 0 215.293 0.664 20 30 BCEDRO C[N@H+](CCOCCC#N)[C@@H]1CCC[C@H]1O ZINC000339187022 490256527 /nfs/dbraw/zinc/25/65/27/490256527.db2.gz BSVNURKVWXVVIW-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO N#CCCCNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000273306159 490285230 /nfs/dbraw/zinc/28/52/30/490285230.db2.gz HRGXYEMZKTVCLA-UHFFFAOYSA-N 1 0 243.274 0.960 20 30 BCEDRO C=C(C)CC[NH+]1CCN(c2nccnn2)CC1 ZINC000625644961 490318862 /nfs/dbraw/zinc/31/88/62/490318862.db2.gz UGGXCGOPDJVCHO-UHFFFAOYSA-N 1 0 233.319 0.960 20 30 BCEDRO C[NH+]=C(NCc1nccn1C)N[C@@H]1C[C@H]1C ZINC000083901115 490562501 /nfs/dbraw/zinc/56/25/01/490562501.db2.gz GFFCSVKTABLPTD-RKDXNWHRSA-N 1 0 221.308 0.494 20 30 BCEDRO COCC#CC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000677817735 490664525 /nfs/dbraw/zinc/66/45/25/490664525.db2.gz ARGASAPYLDHUIC-NSHDSACASA-N 1 0 224.304 0.366 20 30 BCEDRO C=CCCC(=O)NCC[N@@H+](C)CCOC ZINC000171127456 491066483 /nfs/dbraw/zinc/06/64/83/491066483.db2.gz ZYNQWUABKYWLQR-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000669184041 491092721 /nfs/dbraw/zinc/09/27/21/491092721.db2.gz WEILBSMXASFECH-FOGDFJRCSA-N 1 0 226.320 0.522 20 30 BCEDRO C#CCC[N@H+]1CCc2nnc(N(C)C)cc2C1 ZINC000363466358 491121110 /nfs/dbraw/zinc/12/11/10/491121110.db2.gz FTHCAHOBOMBHID-UHFFFAOYSA-N 1 0 230.315 0.924 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@]2(C)CC[NH2+]C2)nn1 ZINC000663012996 491122715 /nfs/dbraw/zinc/12/27/15/491122715.db2.gz GSLLNDBLFHUQDA-GFCCVEGCSA-N 1 0 249.318 0.336 20 30 BCEDRO CC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCCC1 ZINC000843463840 582558521 /nfs/dbraw/zinc/55/85/21/582558521.db2.gz YICUMEUGBHHVLN-UWVGGRQHSA-N 1 0 221.304 0.794 20 30 BCEDRO COC(=O)N1CC(NC(=[NH2+])NCC2CCC2)C1 ZINC000179015272 533896500 /nfs/dbraw/zinc/89/65/00/533896500.db2.gz ADPLJTNECCOLDM-UHFFFAOYSA-N 1 0 240.307 0.141 20 30 BCEDRO COC(=O)N1CC(NC(=[NH2+])NCCC(C)C)C1 ZINC000179014992 533897088 /nfs/dbraw/zinc/89/70/88/533897088.db2.gz RXQKJJKHZQMEEG-UHFFFAOYSA-N 1 0 242.323 0.387 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCCC#N ZINC000891769859 582718483 /nfs/dbraw/zinc/71/84/83/582718483.db2.gz RRGBTKQDNCQIAN-IUCAKERBSA-N 1 0 210.281 0.421 20 30 BCEDRO N#CCCCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000891770465 582718611 /nfs/dbraw/zinc/71/86/11/582718611.db2.gz XLMWXQFCUFUBJB-SNVBAGLBSA-N 1 0 224.308 0.813 20 30 BCEDRO CNC(=[NH2+])NCc1ncccc1N(C)C ZINC000262407351 536304998 /nfs/dbraw/zinc/30/49/98/536304998.db2.gz WRAMPQZDODXUGT-UHFFFAOYSA-N 1 0 207.281 0.182 20 30 BCEDRO C=C(CC)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000263099983 534372811 /nfs/dbraw/zinc/37/28/11/534372811.db2.gz JWATXIIOZHKYPR-SNVBAGLBSA-N 1 0 211.309 0.988 20 30 BCEDRO C=C(CC)C[N@H+](C)CC(=O)N1CCOCC1 ZINC000358503700 534370469 /nfs/dbraw/zinc/37/04/69/534370469.db2.gz DPEKJORORNXXJB-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=C(CC)C[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000358772616 534381610 /nfs/dbraw/zinc/38/16/10/534381610.db2.gz SORICYWPDLOTTD-UHFFFAOYSA-N 1 0 227.304 0.953 20 30 BCEDRO CC(=O)NCCC[NH+]1CCC(F)(C#N)CC1 ZINC000352464389 534384213 /nfs/dbraw/zinc/38/42/13/534384213.db2.gz SOHFQGXXWOWOCL-UHFFFAOYSA-N 1 0 227.283 0.840 20 30 BCEDRO C=C(CC)C[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000358737291 534400256 /nfs/dbraw/zinc/40/02/56/534400256.db2.gz OFMAUYUVSUFTEY-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCn1cc(CNC(NC2CC2)=[NH+]C)nn1 ZINC000263044987 534452675 /nfs/dbraw/zinc/45/26/75/534452675.db2.gz JQYSMIOHMKJAMY-UHFFFAOYSA-N 1 0 234.307 0.292 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])N(C)C2CC2)nn1 ZINC000263092188 534452687 /nfs/dbraw/zinc/45/26/87/534452687.db2.gz UQAXXYFCBQRUDM-UHFFFAOYSA-N 1 0 234.307 0.373 20 30 BCEDRO C=CC1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000261689748 534525512 /nfs/dbraw/zinc/52/55/12/534525512.db2.gz HKMQUGKWBLJHQC-NEPJUHHUSA-N 1 0 238.331 0.917 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000356835898 534530819 /nfs/dbraw/zinc/53/08/19/534530819.db2.gz MPCXLBLMIOTIHC-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CC1CC[NH+](Cc2nc(=O)n(C)[nH]2)CC1 ZINC000334405907 534529208 /nfs/dbraw/zinc/52/92/08/534529208.db2.gz HNORIHOCKLGZMM-UHFFFAOYSA-N 1 0 222.292 0.506 20 30 BCEDRO CNC(=O)[C@@H]([NH2+]CCOCCC#N)C(C)C ZINC000339073009 536353536 /nfs/dbraw/zinc/35/35/36/536353536.db2.gz IOSQKIWIGZDIJQ-JTQLQIEISA-N 1 0 227.308 0.277 20 30 BCEDRO CNC(NCc1ccc(OC)cc1O)=[NH+]C ZINC000849025201 582830301 /nfs/dbraw/zinc/83/03/01/582830301.db2.gz SZYQQBPSHSIKTR-UHFFFAOYSA-N 1 0 223.276 0.696 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000333730814 534600958 /nfs/dbraw/zinc/60/09/58/534600958.db2.gz HTSAWYIKODDIMH-AXFHLTTASA-N 1 0 239.319 0.333 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCc1ncccc1O ZINC000262427448 534663783 /nfs/dbraw/zinc/66/37/83/534663783.db2.gz DCIGFKCCWZUNAR-UHFFFAOYSA-N 1 0 222.292 0.990 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000359195602 534679253 /nfs/dbraw/zinc/67/92/53/534679253.db2.gz MPFYLUCEEBZDFK-AXFHLTTASA-N 1 0 241.335 0.315 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000358536655 534679595 /nfs/dbraw/zinc/67/95/95/534679595.db2.gz NOQQFBUDXRFUSL-MNOVXSKESA-N 1 0 241.335 0.317 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCCc2c1cnn2C ZINC000289976043 534685015 /nfs/dbraw/zinc/68/50/15/534685015.db2.gz XQSHSEJSPZUHJR-KOLCDFICSA-N 1 0 221.304 0.934 20 30 BCEDRO C=CCCC[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342359031 534719452 /nfs/dbraw/zinc/71/94/52/534719452.db2.gz VELBKYMJWRFUEZ-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCCOCC[NH2+]Cc1cnnn1C ZINC000120870585 534775618 /nfs/dbraw/zinc/77/56/18/534775618.db2.gz WEBRNJBOURRSQU-UHFFFAOYSA-N 1 0 210.281 0.497 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000335324818 534784874 /nfs/dbraw/zinc/78/48/74/534784874.db2.gz CNPITSDDJOIABY-QWRGUYRKSA-N 1 0 244.360 0.434 20 30 BCEDRO C=CC[N@@H+](C)[C@H](C)C(=O)NCCCOC ZINC000121472588 534817867 /nfs/dbraw/zinc/81/78/67/534817867.db2.gz GPKRYNYFQHHBHC-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@](C)(O)c1ccccc1 ZINC000267388782 534843751 /nfs/dbraw/zinc/84/37/51/534843751.db2.gz CLFCLCQNEWFHOX-ZDUSSCGKSA-N 1 0 233.315 0.984 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](c1ccco1)N(C)C ZINC000264060570 534842669 /nfs/dbraw/zinc/84/26/69/534842669.db2.gz COMGKKAKCBCHDY-SNVBAGLBSA-N 1 0 236.319 0.973 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](CO)c1ccccc1 ZINC000267385172 534843876 /nfs/dbraw/zinc/84/38/76/534843876.db2.gz BLVRUUHOARCMPK-GFCCVEGCSA-N 1 0 233.315 0.853 20 30 BCEDRO C=CCN1C(=O)N[C@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000335454367 534845628 /nfs/dbraw/zinc/84/56/28/534845628.db2.gz GVRIYFMRDZWHQQ-SKDRFNHKSA-N 1 0 237.303 0.612 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])NC1CCCC1 ZINC000262189155 534856101 /nfs/dbraw/zinc/85/61/01/534856101.db2.gz QYVYFLIHPLDKFH-UHFFFAOYSA-N 1 0 224.308 0.136 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)c1cnn(CC)c1 ZINC000180038219 534859813 /nfs/dbraw/zinc/85/98/13/534859813.db2.gz ROCOYSRDSLMSFE-SNVBAGLBSA-N 1 0 236.319 0.856 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000295516819 534859111 /nfs/dbraw/zinc/85/91/11/534859111.db2.gz VIONLJUOPYHCJH-OPRDCNLKSA-N 1 0 212.293 0.444 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000371508524 534860804 /nfs/dbraw/zinc/86/08/04/534860804.db2.gz KCIFDCDFPCXNMX-GHMZBOCLSA-N 1 0 223.320 0.908 20 30 BCEDRO C=CCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000370606902 534862738 /nfs/dbraw/zinc/86/27/38/534862738.db2.gz QDRSMENSLAZAAG-JTQLQIEISA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000261555798 534868727 /nfs/dbraw/zinc/86/87/27/534868727.db2.gz VIXCBJOCTNCLNH-JTQLQIEISA-N 1 0 212.293 0.257 20 30 BCEDRO C=CCOCC(=O)NCC[N@H+]1CC=CCC1 ZINC000357607719 534869971 /nfs/dbraw/zinc/86/99/71/534869971.db2.gz OUNQVFBKJHWNMG-UHFFFAOYSA-N 1 0 224.304 0.567 20 30 BCEDRO C=CCOCCC[N@@H+](C)C[C@H](C)C(=O)NC ZINC000348028173 534873507 /nfs/dbraw/zinc/87/35/07/534873507.db2.gz CLPKXEVVLCXKAR-NSHDSACASA-N 1 0 228.336 0.893 20 30 BCEDRO C=CCNC(=O)NCCOCC[NH+](C)C ZINC000471640916 526612679 /nfs/dbraw/zinc/61/26/79/526612679.db2.gz BKTQUACIWYHWPB-UHFFFAOYSA-N 1 0 215.297 0.050 20 30 BCEDRO C#CCCC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000494093971 526708573 /nfs/dbraw/zinc/70/85/73/526708573.db2.gz GCKLEWBROMZHIL-SNVBAGLBSA-N 1 0 208.261 0.536 20 30 BCEDRO C#CCCC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000494093970 526708820 /nfs/dbraw/zinc/70/88/20/526708820.db2.gz GCKLEWBROMZHIL-JTQLQIEISA-N 1 0 208.261 0.536 20 30 BCEDRO C#CCC[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495292028 526724084 /nfs/dbraw/zinc/72/40/84/526724084.db2.gz OTBRPQWKBMNJGZ-UHFFFAOYSA-N 1 0 208.261 0.584 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000493358763 526729493 /nfs/dbraw/zinc/72/94/93/526729493.db2.gz QQEYCXPCHNZHHZ-ZJUUUORDSA-N 1 0 208.261 0.440 20 30 BCEDRO C#CCN(C(=O)NC[C@H]1CCC[NH2+]1)C1CC1 ZINC000491661479 526770031 /nfs/dbraw/zinc/77/00/31/526770031.db2.gz NMMJVZYVGGIQCK-SNVBAGLBSA-N 1 0 221.304 0.546 20 30 BCEDRO C#CCN(C)C(=O)NCC1(C)CC[NH2+]CC1 ZINC000491268193 526791685 /nfs/dbraw/zinc/79/16/85/526791685.db2.gz YFLLWPAWIVIESX-UHFFFAOYSA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000491689403 526793112 /nfs/dbraw/zinc/79/31/12/526793112.db2.gz IHKQXPZCIZZDBD-NSHDSACASA-N 1 0 225.336 0.991 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000491802875 526795109 /nfs/dbraw/zinc/79/51/09/526795109.db2.gz HLGNMXOZLOLCHV-MNOVXSKESA-N 1 0 223.320 0.779 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](OC)C(C)C ZINC000491745736 526822749 /nfs/dbraw/zinc/82/27/49/526822749.db2.gz NPRYEFKZWJLTRG-GFCCVEGCSA-N 1 0 240.347 0.729 20 30 BCEDRO C#CC[N@H+](CC#CC)C[C@H](O)CCOCC ZINC000491665915 526864831 /nfs/dbraw/zinc/86/48/31/526864831.db2.gz PRPKNHMDJDNDST-CYBMUJFWSA-N 1 0 223.316 0.732 20 30 BCEDRO C#CCN(CC)C(=O)CN1CC[NH+](CC)CC1 ZINC000490702275 526887603 /nfs/dbraw/zinc/88/76/03/526887603.db2.gz ZUMFUHINHZFWRQ-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000491513466 526890962 /nfs/dbraw/zinc/89/09/62/526890962.db2.gz CBIHCTVNYSVVGF-NXEZZACHSA-N 1 0 211.309 0.777 20 30 BCEDRO C#CC[N@H+](CC)CCN1CCO[C@H](C)C1 ZINC000491046123 526897046 /nfs/dbraw/zinc/89/70/46/526897046.db2.gz ONOVUIOXANXPRW-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO COCCC[N@H+](C)CCNC(=O)CCCC#N ZINC000360278007 536499313 /nfs/dbraw/zinc/49/93/13/536499313.db2.gz RADIKSNYMRWHQW-UHFFFAOYSA-N 1 0 241.335 0.765 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NOC2CCC2)CC1 ZINC000491630382 526928777 /nfs/dbraw/zinc/92/87/77/526928777.db2.gz QFNIFBJASCSHGE-UHFFFAOYSA-N 1 0 236.315 0.932 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)CC(C)(C)C ZINC000491707282 526982727 /nfs/dbraw/zinc/98/27/27/526982727.db2.gz XVQQMIPIVQPSDB-NSHDSACASA-N 1 0 240.347 0.513 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000491638973 526974468 /nfs/dbraw/zinc/97/44/68/526974468.db2.gz VYUGWIXSVMMKRB-HAQNSBGRSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCCO[C@H](CC)C1 ZINC000491066559 526977465 /nfs/dbraw/zinc/97/74/65/526977465.db2.gz DNKYDFQFMJIFRW-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000491670790 526979014 /nfs/dbraw/zinc/97/90/14/526979014.db2.gz FBSDTCQBUCLUIE-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1=CCOCC1 ZINC000491622080 526981417 /nfs/dbraw/zinc/98/14/17/526981417.db2.gz GQCFKJBHHFZBLQ-UHFFFAOYSA-N 1 0 222.288 0.062 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CC12CC2 ZINC000491690629 526984232 /nfs/dbraw/zinc/98/42/32/526984232.db2.gz CBLAOJHRSIWDGM-SNVBAGLBSA-N 1 0 206.289 0.516 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccn(C(C)C)n1 ZINC000491665956 526984666 /nfs/dbraw/zinc/98/46/66/526984666.db2.gz VLYIAHHAACKLDE-UHFFFAOYSA-N 1 0 248.330 0.693 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccc(CO)c1 ZINC000491713432 526985097 /nfs/dbraw/zinc/98/50/97/526985097.db2.gz CLADNIQZPPVPCE-UHFFFAOYSA-N 1 0 246.310 0.408 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)C1(OC)CCC1 ZINC000491382999 526985165 /nfs/dbraw/zinc/98/51/65/526985165.db2.gz KGXONXQYKFTDQA-NSHDSACASA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC1(C)C ZINC000309139354 526985989 /nfs/dbraw/zinc/98/59/89/526985989.db2.gz SROVPLAPXRMOJN-SNVBAGLBSA-N 1 0 208.305 0.904 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)CC(C)(C)C ZINC000491453257 526986481 /nfs/dbraw/zinc/98/64/81/526986481.db2.gz QKZCLASYWPDFPL-LLVKDONJSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+](CCC(=C)C)CC1 ZINC000491210088 527001926 /nfs/dbraw/zinc/00/19/26/527001926.db2.gz PTMGZHRQBXGIPC-UHFFFAOYSA-N 1 0 249.358 0.320 20 30 BCEDRO C#CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000491473349 527011251 /nfs/dbraw/zinc/01/12/51/527011251.db2.gz CMWCTNNOWHWLMO-SNVBAGLBSA-N 1 0 209.293 0.451 20 30 BCEDRO C#CCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000491767979 527014257 /nfs/dbraw/zinc/01/42/57/527014257.db2.gz IDYNXBHWOCJCDI-WDEREUQCSA-N 1 0 221.304 0.307 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCC1(C)C ZINC000309039799 527030446 /nfs/dbraw/zinc/03/04/46/527030446.db2.gz IZWMKLSKRPQJFO-UWVGGRQHSA-N 1 0 208.305 0.903 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C1CCN(C(=O)OC)CC1 ZINC000495458904 527100411 /nfs/dbraw/zinc/10/04/11/527100411.db2.gz NTCONLRIGNFTAE-NSHDSACASA-N 1 0 242.319 0.744 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000491386042 527203728 /nfs/dbraw/zinc/20/37/28/527203728.db2.gz UGUIQNMUNZTKOG-NXEZZACHSA-N 1 0 209.293 0.402 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C1CCN(C(=O)OC)CC1 ZINC000495458903 527209990 /nfs/dbraw/zinc/20/99/90/527209990.db2.gz NTCONLRIGNFTAE-LLVKDONJSA-N 1 0 242.319 0.744 20 30 BCEDRO C#C[C@@H](C)N(C)C(=S)NCCC[NH+](C)C ZINC000491362255 527211430 /nfs/dbraw/zinc/21/14/30/527211430.db2.gz QJRLMRBUXLPNDR-SNVBAGLBSA-N 1 0 227.377 0.766 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[C@H](C)[NH3+])C(C)C ZINC000491618705 527276437 /nfs/dbraw/zinc/27/64/37/527276437.db2.gz CVRLQSOPAYAVQW-VHSXEESVSA-N 1 0 211.309 0.681 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(C)C ZINC000491805579 527281348 /nfs/dbraw/zinc/28/13/48/527281348.db2.gz OLLRBFXQVKBMTP-YTWAJWBKSA-N 1 0 221.304 0.161 20 30 BCEDRO C=CCCN(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418377158 527310286 /nfs/dbraw/zinc/31/02/86/527310286.db2.gz HAYCJJPWRBODRG-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000491266521 527321049 /nfs/dbraw/zinc/32/10/49/527321049.db2.gz PIGUMUDCCMFZIN-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000491666056 527324072 /nfs/dbraw/zinc/32/40/72/527324072.db2.gz LNVBFTAUJMUSQQ-IUCAKERBSA-N 1 0 245.273 0.647 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@H](C)C[NH2+]C ZINC000491814746 527369715 /nfs/dbraw/zinc/36/97/15/527369715.db2.gz NVODVVYNMOWABA-GHMZBOCLSA-N 1 0 225.336 0.943 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000491793520 527371121 /nfs/dbraw/zinc/37/11/21/527371121.db2.gz LWDZOISAOXWFIQ-OPRDCNLKSA-N 1 0 211.309 0.823 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)COCCOC)C(C)C ZINC000300854678 527410279 /nfs/dbraw/zinc/41/02/79/527410279.db2.gz FSVCZMJMGVFTAY-RYUDHWBXSA-N 1 0 229.320 0.258 20 30 BCEDRO COCCOCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336765110 536517420 /nfs/dbraw/zinc/51/74/20/536517420.db2.gz QOAAALSNEYSVRC-QWRGUYRKSA-N 1 0 212.293 0.931 20 30 BCEDRO CC[N@H+](CC(=O)N[C@@](C)(C#N)COC)C1CC1 ZINC000505256290 527916200 /nfs/dbraw/zinc/91/62/00/527916200.db2.gz ZHGXVAXKOZUOMS-LBPRGKRZSA-N 1 0 239.319 0.516 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC=CO1 ZINC000262794011 536520237 /nfs/dbraw/zinc/52/02/37/536520237.db2.gz LHGWASJKWNIUDH-NXEZZACHSA-N 1 0 227.308 0.618 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@]1(C)CCOC1 ZINC000262520036 536520923 /nfs/dbraw/zinc/52/09/23/536520923.db2.gz IBYZRPYSCIOEPG-MWLCHTKSSA-N 1 0 229.324 0.352 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC=CO1 ZINC000262794014 536520983 /nfs/dbraw/zinc/52/09/83/536520983.db2.gz LHGWASJKWNIUDH-ZJUUUORDSA-N 1 0 227.308 0.618 20 30 BCEDRO CC1CCN(C(=[NH2+])NCCCCO)CC1 ZINC000195227244 528210559 /nfs/dbraw/zinc/21/05/59/528210559.db2.gz LKYGRJSXZOHMRE-UHFFFAOYSA-N 1 0 213.325 0.806 20 30 BCEDRO CC(C)(C#N)CNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335603937 534993936 /nfs/dbraw/zinc/99/39/36/534993936.db2.gz MTXHHHCXAMLVTP-UHFFFAOYSA-N 1 0 238.335 0.930 20 30 BCEDRO CC(C)CNC(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262492923 535064381 /nfs/dbraw/zinc/06/43/81/535064381.db2.gz YFGZJFJGHQDFOF-JTQLQIEISA-N 1 0 235.335 0.758 20 30 BCEDRO CC(C)CNC(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000264115588 535065202 /nfs/dbraw/zinc/06/52/02/535065202.db2.gz SMZSRAWCFQYDFG-UHFFFAOYSA-N 1 0 248.330 0.846 20 30 BCEDRO CC(C)C[NH+]1CCN(C(=O)NCCC#N)CC1 ZINC000408366137 535093226 /nfs/dbraw/zinc/09/32/26/535093226.db2.gz MRQFXECEZBSJMO-UHFFFAOYSA-N 1 0 238.335 0.883 20 30 BCEDRO CC(C)NC(=[NH2+])NCC1([S@@](C)=O)CCC1 ZINC000262785958 535125576 /nfs/dbraw/zinc/12/55/76/535125576.db2.gz JRFORLDCLFFCQE-OAHLLOKOSA-N 1 0 231.365 0.600 20 30 BCEDRO CC[NH+]=C(NCCO)N[C@@H]1C[C@H](OC)C1(C)C ZINC000261907391 535261530 /nfs/dbraw/zinc/26/15/30/535261530.db2.gz ZHADKOIETLLDRS-ZJUUUORDSA-N 1 0 243.351 0.347 20 30 BCEDRO CCCCNC(=[NH2+])NCc1c[nH]nc1C ZINC000264063951 535261794 /nfs/dbraw/zinc/26/17/94/535261794.db2.gz ALSYTIIFZMMFQP-UHFFFAOYSA-N 1 0 209.297 0.923 20 30 BCEDRO CCCCNC(=[NH2+])NCc1cnn(C)c1C ZINC000270437014 535261809 /nfs/dbraw/zinc/26/18/09/535261809.db2.gz QDUQTQVFGAPCBT-UHFFFAOYSA-N 1 0 223.324 0.933 20 30 BCEDRO CC[NH+]=C(NCCN1CCC1)NC(C)C ZINC000261667391 535261784 /nfs/dbraw/zinc/26/17/84/535261784.db2.gz IUKVWBXTFXVIKX-UHFFFAOYSA-N 1 0 212.341 0.656 20 30 BCEDRO CC[NH+]=C(NCCn1ccnc1)NC1CC1 ZINC000262950621 535262286 /nfs/dbraw/zinc/26/22/86/535262286.db2.gz BVWSLYUWSPAJOX-UHFFFAOYSA-N 1 0 221.308 0.601 20 30 BCEDRO CC(C)CCNC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000303980982 535385082 /nfs/dbraw/zinc/38/50/82/535385082.db2.gz ONMGQHBFMCYSBR-NSHDSACASA-N 1 0 242.367 0.267 20 30 BCEDRO CC[C@@H](C#N)NC(=O)C1CC[NH+](C)CC1 ZINC000260331678 535391449 /nfs/dbraw/zinc/39/14/49/535391449.db2.gz ZYHRFNFFLPOELV-JTQLQIEISA-N 1 0 209.293 0.747 20 30 BCEDRO CCNC(=[NH2+])N[C@@H]1C[C@H](OCC)[C@@]12CCCO2 ZINC000262402073 535425298 /nfs/dbraw/zinc/42/52/98/535425298.db2.gz VFTRZYPBHCBYJK-JFGNBEQYSA-N 1 0 241.335 0.637 20 30 BCEDRO CCNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000261724375 535425493 /nfs/dbraw/zinc/42/54/93/535425493.db2.gz XGYFKTLVUWIGRQ-BBBLOLIVSA-N 1 0 223.320 0.868 20 30 BCEDRO CCO[C@@H]1C[C@H](NC(=[NH2+])NC)C12CCC2 ZINC000262416486 535447768 /nfs/dbraw/zinc/44/77/68/535447768.db2.gz MIQBUHASXVZLFC-DTWKUNHWSA-N 1 0 211.309 0.868 20 30 BCEDRO CC[NH+](CC)CC(=O)N(CC#N)CC#N ZINC000299627330 535488094 /nfs/dbraw/zinc/48/80/94/535488094.db2.gz FYMQESOHIOGEPD-UHFFFAOYSA-N 1 0 208.265 0.204 20 30 BCEDRO CC[NH+](CC)CC(=O)N[C@@](C)(C#N)COC ZINC000337539629 535493530 /nfs/dbraw/zinc/49/35/30/535493530.db2.gz XXJHKXSBHOHJFE-NSHDSACASA-N 1 0 227.308 0.373 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H](C)C#N ZINC000250396290 535565399 /nfs/dbraw/zinc/56/53/99/535565399.db2.gz YPGIWEGPVILFND-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC[C@@H](Cn1cncn1)[NH2+]CCCC#N ZINC000336730585 535777066 /nfs/dbraw/zinc/77/70/66/535777066.db2.gz KGEXDRPEXBOQGB-JTQLQIEISA-N 1 0 207.281 0.950 20 30 BCEDRO C[NH+](C)CCNS(=O)(=O)CC1(CC#N)CC1 ZINC000331763371 535891525 /nfs/dbraw/zinc/89/15/25/535891525.db2.gz OCNSPVJVJZLXNU-UHFFFAOYSA-N 1 0 245.348 0.161 20 30 BCEDRO CCn1nncc1C(=O)NCC[N@H+](C)C(C)C ZINC000330497727 535920574 /nfs/dbraw/zinc/92/05/74/535920574.db2.gz YSNDSUJQRMZSBS-UHFFFAOYSA-N 1 0 239.323 0.943 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(C(=O)C(C)(C)C#N)C1 ZINC000114399285 535960475 /nfs/dbraw/zinc/96/04/75/535960475.db2.gz RJQJWELDYYCOEX-SNVBAGLBSA-N 1 0 223.320 0.946 20 30 BCEDRO CC[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000358210813 535998327 /nfs/dbraw/zinc/99/83/27/535998327.db2.gz POFOVIUPXMVSEK-QWRGUYRKSA-N 1 0 239.319 0.252 20 30 BCEDRO CCc1cnccc1[C@H](C)[NH2+]CC(=O)NCC#N ZINC000361119683 536105371 /nfs/dbraw/zinc/10/53/71/536105371.db2.gz LLMPAQWMAQAJBW-JTQLQIEISA-N 1 0 246.314 0.934 20 30 BCEDRO C[NH+]=C(NC[C@@]1(CCO)CCOC1)NC1CC1 ZINC000261987211 536304555 /nfs/dbraw/zinc/30/45/55/536304555.db2.gz QKNVKHKMDNTQDX-GFCCVEGCSA-N 1 0 241.335 0.103 20 30 BCEDRO CN1C(=O)CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1=O ZINC000333551955 536309906 /nfs/dbraw/zinc/30/99/06/536309906.db2.gz JOYSLODJIPWJGJ-AEJSXWLSSA-N 1 0 235.287 0.416 20 30 BCEDRO C[N@H+](CCCCC#N)CC(C)(CO)CO ZINC000305141930 536328978 /nfs/dbraw/zinc/32/89/78/536328978.db2.gz WLPDGFZFYUJNKL-UHFFFAOYSA-N 1 0 214.309 0.603 20 30 BCEDRO C[N@H+](CCNC(=O)NCCC#N)C1CC1 ZINC000331742601 536378574 /nfs/dbraw/zinc/37/85/74/536378574.db2.gz GMWTYUSAAXHIBM-UHFFFAOYSA-N 1 0 210.281 0.293 20 30 BCEDRO CO[C@H](C[NH+]=C(N(C)C)N(C)C)C1CC1 ZINC000263194750 536577673 /nfs/dbraw/zinc/57/76/73/536577673.db2.gz WESRDJZNSVLIOH-SNVBAGLBSA-N 1 0 213.325 0.891 20 30 BCEDRO COCc1cc(CNC(N)=[NH2+])ccc1F ZINC000267421364 536708760 /nfs/dbraw/zinc/70/87/60/536708760.db2.gz KTOMPZJCEBMIAY-UHFFFAOYSA-N 1 0 211.240 0.746 20 30 BCEDRO COC[C@@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000227353705 536729784 /nfs/dbraw/zinc/72/97/84/536729784.db2.gz MLKUWMZUQPSSLL-JTQLQIEISA-N 1 0 212.293 0.619 20 30 BCEDRO COC1CCC([N@H+](C)CC(=O)NCC#N)CC1 ZINC000360321892 536732306 /nfs/dbraw/zinc/73/23/06/536732306.db2.gz ZXZKPLVMLMKJOL-UHFFFAOYSA-N 1 0 239.319 0.516 20 30 BCEDRO CO[C@@H]1COCC[C@H]1CNC(=[NH2+])NCC(C)C ZINC000263215523 536749254 /nfs/dbraw/zinc/74/92/54/536749254.db2.gz ZWXDGULKXPBDIL-WDEREUQCSA-N 1 0 243.351 0.598 20 30 BCEDRO CO[C@@H]1COCC[C@H]1C[NH+]=C(N(C)C)N(C)C ZINC000263108587 536751771 /nfs/dbraw/zinc/75/17/71/536751771.db2.gz KWVGPWTZKQTSDP-WDEREUQCSA-N 1 0 243.351 0.517 20 30 BCEDRO CO[C@@](C)(CNC(=[NH2+])NC1CC1)C1CC1 ZINC000261529044 536820752 /nfs/dbraw/zinc/82/07/52/536820752.db2.gz AEEDVVCPPSLNGR-NSHDSACASA-N 1 0 211.309 0.868 20 30 BCEDRO COc1ccccc1N1CC[C@@H](CNC(N)=[NH2+])C1 ZINC000303261308 537072965 /nfs/dbraw/zinc/07/29/65/537072965.db2.gz OJCPYTBOCRHORL-JTQLQIEISA-N 1 0 248.330 0.795 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@H](C(C)C)C1 ZINC000851911529 582979859 /nfs/dbraw/zinc/97/98/59/582979859.db2.gz XCLGNYBVOWKUTP-LBPRGKRZSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CCCNC(=O)N1CCC([NH3+])(CC)CC1 ZINC000892923852 583010113 /nfs/dbraw/zinc/01/01/13/583010113.db2.gz OAJDTXHXEXLDRK-UHFFFAOYSA-N 1 0 223.320 0.923 20 30 BCEDRO C#C[C@@H](CO)NC(=O)C[N@@H+](C)CCCCCC ZINC000854768216 583091952 /nfs/dbraw/zinc/09/19/52/583091952.db2.gz MPTNNOAOGCWKFP-LBPRGKRZSA-N 1 0 240.347 0.609 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CC)C1CCOCC1 ZINC000853116037 588721530 /nfs/dbraw/zinc/72/15/30/588721530.db2.gz PDDGYODVONZTFN-RYUDHWBXSA-N 1 0 211.305 0.775 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)COCC)C1CCOCC1 ZINC000853117376 588721625 /nfs/dbraw/zinc/72/16/25/588721625.db2.gz VCBXLBIFNRWNKT-OLZOCXBDSA-N 1 0 241.331 0.402 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)COCC)C1CCOCC1 ZINC000853117378 588721628 /nfs/dbraw/zinc/72/16/28/588721628.db2.gz VCBXLBIFNRWNKT-STQMWFEESA-N 1 0 241.331 0.402 20 30 BCEDRO COCCON=C(N)C[N@@H+]1CCCC[C@@H]1C ZINC000111179333 588727789 /nfs/dbraw/zinc/72/77/89/588727789.db2.gz IMMQTTHCJCVXRE-JTQLQIEISA-N 1 0 229.324 0.796 20 30 BCEDRO C[C@@H]1CNC(NN=C2CO[C@@H](C3CC3)C2)=[NH+]1 ZINC000853329690 588733613 /nfs/dbraw/zinc/73/36/13/588733613.db2.gz CNUMPXVNWVUUKZ-GMSGAONNSA-N 1 0 222.292 0.479 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cc3n(n2)CCC3)N1 ZINC000853330157 588733677 /nfs/dbraw/zinc/73/36/77/588733677.db2.gz JZLXPRPUKJKVGE-QMMMGPOBSA-N 1 0 232.291 0.101 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc(CO)cc2)N1 ZINC000853329870 588733715 /nfs/dbraw/zinc/73/37/15/588733715.db2.gz FWEHJLQYIUEPGZ-VIFPVBQESA-N 1 0 232.287 0.450 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnn3c2CCC3)N1 ZINC000853329886 588733717 /nfs/dbraw/zinc/73/37/17/588733717.db2.gz GLSMTNTWPSJUPK-MRVPVSSYSA-N 1 0 232.291 0.101 20 30 BCEDRO Cc1nc(C=NNC2=[NH+]C[C@H](C)N2)[nH]c1C ZINC000853330492 588733757 /nfs/dbraw/zinc/73/37/57/588733757.db2.gz NYMZZAYDWRTOHT-LURJTMIESA-N 1 0 220.280 0.298 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2c(C3CC3)cnn2C)N1 ZINC000853330817 588733929 /nfs/dbraw/zinc/73/39/29/588733929.db2.gz WCBGZHRFFWOOAC-QMMMGPOBSA-N 1 0 246.318 0.569 20 30 BCEDRO C#Cc1cnc(N(C)CC2C[NH+](C)C2)nc1 ZINC000853824295 588764910 /nfs/dbraw/zinc/76/49/10/588764910.db2.gz AXSHQWPREDFDDJ-UHFFFAOYSA-N 1 0 216.288 0.456 20 30 BCEDRO C#CCOCCOC(=O)C1CC[NH+](CC#C)CC1 ZINC000853899426 588767841 /nfs/dbraw/zinc/76/78/41/588767841.db2.gz VQJGOABFDNTWIJ-UHFFFAOYSA-N 1 0 249.310 0.525 20 30 BCEDRO C#C[C@H](CC)NC(=O)NCC[N@H+]1CC=CCC1 ZINC000854076509 588773693 /nfs/dbraw/zinc/77/36/93/588773693.db2.gz UTHCBUYMRUSNFN-GFCCVEGCSA-N 1 0 235.331 0.959 20 30 BCEDRO C=CCONC(=O)N[C@H](C)c1nccn1C ZINC000854117775 588775070 /nfs/dbraw/zinc/77/50/70/588775070.db2.gz IVSPBQMVEWIWJY-MRVPVSSYSA-N 1 0 224.264 0.898 20 30 BCEDRO C=CCONC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000854118003 588775191 /nfs/dbraw/zinc/77/51/91/588775191.db2.gz LLWXNEZAIBWLKS-JTQLQIEISA-N 1 0 227.308 0.840 20 30 BCEDRO C=C[C@H](O)C(=O)NCCC[NH+](CC)CC ZINC000854178940 588778137 /nfs/dbraw/zinc/77/81/37/588778137.db2.gz WTCIWFBWYADNHE-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO CC(C)C#CC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000854354071 588784994 /nfs/dbraw/zinc/78/49/94/588784994.db2.gz LYKCRWURARDKDW-CYBMUJFWSA-N 1 0 249.358 0.152 20 30 BCEDRO CC(C)C#CC(=O)NOC1CC[NH+](C)CC1 ZINC000854358617 588785154 /nfs/dbraw/zinc/78/51/54/588785154.db2.gz ZHDZBMXVRUEGGL-UHFFFAOYSA-N 1 0 224.304 0.788 20 30 BCEDRO CC(C)C#CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000854600370 588796719 /nfs/dbraw/zinc/79/67/19/588796719.db2.gz SFQOQLKTSNBDCI-VXGBXAGGSA-N 1 0 220.316 0.808 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)CCCC[NH+](C)C ZINC000854545173 588792868 /nfs/dbraw/zinc/79/28/68/588792868.db2.gz BXGYXTKANCQMHS-NSHDSACASA-N 1 0 226.320 0.219 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000854651478 588799447 /nfs/dbraw/zinc/79/94/47/588799447.db2.gz CYHJPEGJPQHQLD-NEPJUHHUSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC(C)=NO1 ZINC000854663710 588800072 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/nfs/dbraw/zinc/45/93/89/582459389.db2.gz RINZVBYCISXLDX-LBPRGKRZSA-N 1 0 219.288 0.913 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000858334274 582459417 /nfs/dbraw/zinc/45/94/17/582459417.db2.gz KWGLERKVYFDCHQ-WISYIIOYSA-N 1 0 239.315 0.812 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000855361693 588828940 /nfs/dbraw/zinc/82/89/40/588828940.db2.gz HBACUEJHLRRMBY-NWDGAFQWSA-N 1 0 238.331 0.577 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[NH+]1CCCCC1 ZINC000811657841 582485879 /nfs/dbraw/zinc/48/58/79/582485879.db2.gz AUFPRTZMJYBRSX-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[NH+]1CCCCC1 ZINC000811657848 582485919 /nfs/dbraw/zinc/48/59/19/582485919.db2.gz AUFPRTZMJYBRSX-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C#C[C@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000890650956 582492345 /nfs/dbraw/zinc/49/23/45/582492345.db2.gz UFEJNCRYWGTMJU-RYUDHWBXSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000890650954 582492488 /nfs/dbraw/zinc/49/24/88/582492488.db2.gz UFEJNCRYWGTMJU-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@H]1CCCCN1C(=O)Cc1cncn1C ZINC000890653749 582493357 /nfs/dbraw/zinc/49/33/57/582493357.db2.gz QRIMQZNZGGWPPZ-NSHDSACASA-N 1 0 231.299 0.977 20 30 BCEDRO CC#CC(=O)NCCN(C)CCC[NH+](C)C ZINC000855415401 588832034 /nfs/dbraw/zinc/83/20/34/588832034.db2.gz XMAZHRNBNNCOIC-UHFFFAOYSA-N 1 0 225.336 0.009 20 30 BCEDRO C=C(CO)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000855490689 588838062 /nfs/dbraw/zinc/83/80/62/588838062.db2.gz JQBUYIMTLQHZNS-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CCF)CCOC ZINC000855594082 588841121 /nfs/dbraw/zinc/84/11/21/588841121.db2.gz OYDKDOOSNVJZAY-UHFFFAOYSA-N 1 0 232.299 0.549 20 30 BCEDRO C#CCONC(=O)CCN(C)c1cc[nH+]cc1 ZINC000855606860 588841520 /nfs/dbraw/zinc/84/15/20/588841520.db2.gz QAIKNWXCBLJARO-UHFFFAOYSA-N 1 0 233.271 0.589 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](C)OC ZINC000855612493 588842081 /nfs/dbraw/zinc/84/20/81/588842081.db2.gz WICIYLXNPMGGGN-SECBINFHSA-N 1 0 200.282 0.255 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cn(CC)nn1 ZINC000855613061 588842345 /nfs/dbraw/zinc/84/23/45/588842345.db2.gz NOPHVNLILWHBRX-UHFFFAOYSA-N 1 0 237.307 0.032 20 30 BCEDRO CC(C)C#CC(=O)N(C)CC1C[NH+](C)C1 ZINC000855640722 588843068 /nfs/dbraw/zinc/84/30/68/588843068.db2.gz CHIWUPRTZRUVCZ-UHFFFAOYSA-N 1 0 208.305 0.666 20 30 BCEDRO C#Cc1cncc(C(=O)N(C)CC2C[NH+](C)C2)c1 ZINC000855642431 588843203 /nfs/dbraw/zinc/84/32/03/588843203.db2.gz XPCGCDXKMPALQG-UHFFFAOYSA-N 1 0 243.310 0.697 20 30 BCEDRO C#CCNC(=S)NCCCC[N@@H+](C)C1CC1 ZINC000840837822 582682071 /nfs/dbraw/zinc/68/20/71/582682071.db2.gz VWQLPHZQDGBEIE-UHFFFAOYSA-N 1 0 239.388 0.958 20 30 BCEDRO C=CCCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891864404 582731278 /nfs/dbraw/zinc/73/12/78/582731278.db2.gz XXSRQNRUXSSOOX-AOOOYVTPSA-N 1 0 211.309 0.989 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC(C)(C)C#N ZINC000891766772 582718019 /nfs/dbraw/zinc/71/80/19/582718019.db2.gz WKGJOAJRUSYINJ-IUCAKERBSA-N 1 0 224.308 0.667 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](O)CC)CC1 ZINC000855743827 588846557 /nfs/dbraw/zinc/84/65/57/588846557.db2.gz VPCUKYPQJIKANL-GFCCVEGCSA-N 1 0 238.331 0.219 20 30 BCEDRO N#CCCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000891770457 582718787 /nfs/dbraw/zinc/71/87/87/582718787.db2.gz XCXLFWOKVASSQU-UWVGGRQHSA-N 1 0 224.308 0.859 20 30 BCEDRO CC#CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891813218 582725115 /nfs/dbraw/zinc/72/51/15/582725115.db2.gz ISOYRJZOWROLSD-NEPJUHHUSA-N 1 0 235.331 0.936 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1(CC#N)CC1 ZINC000891869643 582731747 /nfs/dbraw/zinc/73/17/47/582731747.db2.gz LEAAUJISOWPVRB-ZJUUUORDSA-N 1 0 236.319 0.811 20 30 BCEDRO N#CC1(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891876991 582733555 /nfs/dbraw/zinc/73/35/55/582733555.db2.gz UQBMTFFDJGFLFX-MNOVXSKESA-N 1 0 248.330 0.826 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@@H]([NH3+])C[C@H]1C)C(C)C ZINC000891905625 582736628 /nfs/dbraw/zinc/73/66/28/582736628.db2.gz QRUATRSTUSOXIO-VWYCJHECSA-N 1 0 223.320 0.775 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891934961 582741081 /nfs/dbraw/zinc/74/10/81/582741081.db2.gz CWNIUMNHYNSZMV-AOOOYVTPSA-N 1 0 211.309 0.989 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891937783 582741271 /nfs/dbraw/zinc/74/12/71/582741271.db2.gz FQNFWFOVOGTASM-DBIOUOCHSA-N 1 0 239.319 0.366 20 30 BCEDRO C=CCONC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891942223 582742021 /nfs/dbraw/zinc/74/20/21/582742021.db2.gz BZXBWBPLLOMKJE-UHFFFAOYSA-N 1 0 225.292 0.769 20 30 BCEDRO C=CCONC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891944570 582742270 /nfs/dbraw/zinc/74/22/70/582742270.db2.gz OJOPWVVXFVAILR-ONGXEEELSA-N 1 0 225.292 0.688 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891943522 582742363 /nfs/dbraw/zinc/74/23/63/582742363.db2.gz OSKNIPILDRNSAA-MGCOHNPYSA-N 1 0 211.309 0.989 20 30 BCEDRO C[C@H](O)CNN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848409662 582766878 /nfs/dbraw/zinc/76/68/78/582766878.db2.gz CJYMBHDHLJVNJP-JQWIXIFHSA-N 1 0 225.336 0.961 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000855844903 588850992 /nfs/dbraw/zinc/85/09/92/588850992.db2.gz NLFSZDOLTYTHTN-CMPLNLGQSA-N 1 0 224.304 0.088 20 30 BCEDRO C#CC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000855898420 588853026 /nfs/dbraw/zinc/85/30/26/588853026.db2.gz NDJHXECUKYBJPS-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892238403 582811787 /nfs/dbraw/zinc/81/17/87/582811787.db2.gz CQFXMAWBBLBUMI-AOOOYVTPSA-N 1 0 209.293 0.708 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](CO)CC1CC1 ZINC000855914404 588853684 /nfs/dbraw/zinc/85/36/84/588853684.db2.gz SNUDTOOHOOZNGP-LBPRGKRZSA-N 1 0 240.347 0.629 20 30 BCEDRO CCNC(NCCNc1cnccn1)=[NH+]CC ZINC000848989422 582818861 /nfs/dbraw/zinc/81/88/61/582818861.db2.gz HTUNPKPRFUZTOP-UHFFFAOYSA-N 1 0 236.323 0.464 20 30 BCEDRO CN1CC[NH+]=C1NCCCOC1CCOCC1 ZINC000849009912 582823734 /nfs/dbraw/zinc/82/37/34/582823734.db2.gz JAYZZKQRVPCBRP-UHFFFAOYSA-N 1 0 241.335 0.463 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@]1(O)CCC[C@H]1C ZINC000849033398 582834954 /nfs/dbraw/zinc/83/49/54/582834954.db2.gz ZNWKFTYSEXPGTC-MWLCHTKSSA-N 1 0 211.309 0.837 20 30 BCEDRO C#CCC[NH+]1CCN(c2cc(NC)ncn2)CC1 ZINC000892316401 582839367 /nfs/dbraw/zinc/83/93/67/582839367.db2.gz YRVAKOPCSZVUQB-UHFFFAOYSA-N 1 0 245.330 0.664 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NCC2CCC2)nn1 ZINC000849044482 582840218 /nfs/dbraw/zinc/84/02/18/582840218.db2.gz RDNTVWCSBGCFOX-UHFFFAOYSA-N 1 0 248.334 0.878 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000856073382 588859664 /nfs/dbraw/zinc/85/96/64/588859664.db2.gz OLEQZMQBCWZNFE-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO Cc1cc(N(C)C)ccc1C=[NH+]NCCO ZINC000841640542 582894322 /nfs/dbraw/zinc/89/43/22/582894322.db2.gz KNWQPUITNVRUML-UHFFFAOYSA-N 1 0 221.304 0.977 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892567317 582915840 /nfs/dbraw/zinc/91/58/40/582915840.db2.gz LDEYTJAZFIAWCH-DCAQKATOSA-N 1 0 241.335 0.350 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892569322 582916123 /nfs/dbraw/zinc/91/61/23/582916123.db2.gz ATZZFWGCMOPBHJ-OPRDCNLKSA-N 1 0 209.293 0.387 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892572013 582917156 /nfs/dbraw/zinc/91/71/56/582917156.db2.gz OFPRGMVJDLVUGA-DCAQKATOSA-N 1 0 241.335 0.208 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892578791 582920028 /nfs/dbraw/zinc/92/00/28/582920028.db2.gz QOMLAYYWOPISFK-GUBZILKMSA-N 1 0 224.308 0.525 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC2(COC2)C1 ZINC000856194320 588864107 /nfs/dbraw/zinc/86/41/07/588864107.db2.gz XPQKOABZQAYWHN-UHFFFAOYSA-N 1 0 224.304 0.353 20 30 BCEDRO CCC[N@H+](C)CC(C)(C)NC(=O)C=NOC ZINC000856281966 588867280 /nfs/dbraw/zinc/86/72/80/588867280.db2.gz NWLUUQLDMZTLTD-UHFFFAOYSA-N 1 0 229.324 0.855 20 30 BCEDRO C#CCOCC[NH2+][C@@H](C#C)[C@@H]1CCCO1 ZINC000851950013 582982935 /nfs/dbraw/zinc/98/29/35/582982935.db2.gz LLODUNAQKQKJFQ-RYUDHWBXSA-N 1 0 207.273 0.407 20 30 BCEDRO C#CCCN(CCOC)C(=O)C[NH+](CC)CC ZINC000856387566 588870820 /nfs/dbraw/zinc/87/08/20/588870820.db2.gz LHJSIUOWGFBNEB-UHFFFAOYSA-N 1 0 240.347 0.827 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC000856408914 588871984 /nfs/dbraw/zinc/87/19/84/588871984.db2.gz XIJXKHCGYJNYQV-SDDRHHMPSA-N 1 0 238.331 0.624 20 30 BCEDRO CC#CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856429686 588872400 /nfs/dbraw/zinc/87/24/00/588872400.db2.gz IVHIKLLJYFDNSI-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)COC(C)=O ZINC000893285716 583085979 /nfs/dbraw/zinc/08/59/79/583085979.db2.gz ZFFHFVRCMFXISA-MWLCHTKSSA-N 1 0 215.293 0.712 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000854543248 583087833 /nfs/dbraw/zinc/08/78/33/583087833.db2.gz AAPRZXFHEHAAEE-WDEREUQCSA-N 1 0 240.347 0.654 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cn(C)nc1C1CC1 ZINC000893317387 583099599 /nfs/dbraw/zinc/09/95/99/583099599.db2.gz GCSHFQKLJALBNF-UHFFFAOYSA-N 1 0 248.330 0.689 20 30 BCEDRO C#C[C@H]([NH2+]CCn1ccccc1=O)[C@@H]1CCCO1 ZINC000775792009 583104596 /nfs/dbraw/zinc/10/45/96/583104596.db2.gz PNGSUVCXERFBJB-STQMWFEESA-N 1 0 246.310 0.619 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000856797524 588878721 /nfs/dbraw/zinc/87/87/21/588878721.db2.gz IGLGHPGNKPOUDO-NWDGAFQWSA-N 1 0 211.305 0.587 20 30 BCEDRO COc1ccc(F)cc1C=NNC1=[NH+]CCN1 ZINC000841659852 583165006 /nfs/dbraw/zinc/16/50/06/583165006.db2.gz MTVGVHXJEPVCPP-UHFFFAOYSA-N 1 0 236.250 0.717 20 30 BCEDRO C#CCCCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000893632270 583178499 /nfs/dbraw/zinc/17/84/99/583178499.db2.gz GBIKILUYXGCZRB-BETUJISGSA-N 1 0 249.358 0.993 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@H](C)CC#N ZINC000893871981 583237732 /nfs/dbraw/zinc/23/77/32/583237732.db2.gz JMOFNTWPAMGZGG-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO Cc1nc(C#N)cc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)n1 ZINC000893933512 583251984 /nfs/dbraw/zinc/25/19/84/583251984.db2.gz ABEWSXUPAXZVOI-JQWIXIFHSA-N 1 0 243.314 0.797 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2cc(C#N)cnn2)C1 ZINC000893933545 583252051 /nfs/dbraw/zinc/25/20/51/583252051.db2.gz AXIGYEOMNJSNKJ-QWRGUYRKSA-N 1 0 229.287 0.489 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000893938445 583254071 /nfs/dbraw/zinc/25/40/71/583254071.db2.gz CPQDAQZKLXCBEY-CMPLNLGQSA-N 1 0 243.314 0.797 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000857182632 588891928 /nfs/dbraw/zinc/89/19/28/588891928.db2.gz ZCCSKUYONYHUAI-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C#N)o2)C1 ZINC000814145974 583342829 /nfs/dbraw/zinc/34/28/29/583342829.db2.gz PMUJWTJGGWAMCY-ONGXEEELSA-N 1 0 245.282 0.927 20 30 BCEDRO C#CC[C@@H]1NC(=O)N(C[C@H]2CC[N@H+]2CC)C1=O ZINC000877880762 583352526 /nfs/dbraw/zinc/35/25/26/583352526.db2.gz IPNCMTUYQWQNHL-ZJUUUORDSA-N 1 0 235.287 0.024 20 30 BCEDRO Cn1ccc(C[NH2+]C[C@H](O)CC(C)(C)C#N)n1 ZINC000857237953 588900943 /nfs/dbraw/zinc/90/09/43/588900943.db2.gz YEUUSJOCEWSCFP-LLVKDONJSA-N 1 0 236.319 0.810 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)CC1(O)CCCC1 ZINC000878167845 583365677 /nfs/dbraw/zinc/36/56/77/583365677.db2.gz ZLONYMMVYXHMCU-LBPRGKRZSA-N 1 0 225.332 0.998 20 30 BCEDRO CCn1ccnc1[C@@H](C)NC(=O)C=NOC ZINC000857279577 588902655 /nfs/dbraw/zinc/90/26/55/588902655.db2.gz ARVKGUDCYKMKEU-MRVPVSSYSA-N 1 0 224.264 0.712 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000894272663 583403484 /nfs/dbraw/zinc/40/34/84/583403484.db2.gz ZVLJYIWEDLSNLG-VXGBXAGGSA-N 1 0 235.331 0.745 20 30 BCEDRO C=C(CO)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000791388479 583410833 /nfs/dbraw/zinc/41/08/33/583410833.db2.gz WRYLGDLWXZNCJE-ZJUUUORDSA-N 1 0 224.304 0.276 20 30 BCEDRO CC#CC[C@@H](CO)Nc1cc[nH+]cc1CO ZINC000894367162 583438591 /nfs/dbraw/zinc/43/85/91/583438591.db2.gz PYGCSOIWVGZAEV-NSHDSACASA-N 1 0 220.272 0.182 20 30 BCEDRO C#C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000894385267 583443275 /nfs/dbraw/zinc/44/32/75/583443275.db2.gz YGGCQGYRXOIFNM-LPEHRKFASA-N 1 0 215.318 0.421 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000668011526 583445414 /nfs/dbraw/zinc/44/54/14/583445414.db2.gz DMPJRVUALVRCAU-ZYHUDNBSSA-N 1 0 228.336 0.770 20 30 BCEDRO CN(C(=O)NCCC#N)[C@@H]1CCC[N@H+](C)C1 ZINC000894486172 583471802 /nfs/dbraw/zinc/47/18/02/583471802.db2.gz SOQBNKLAFQIIGJ-SNVBAGLBSA-N 1 0 224.308 0.636 20 30 BCEDRO C#C[C@H]1COCCN1CC1CC[NH+](C)CC1 ZINC000894865780 583536736 /nfs/dbraw/zinc/53/67/36/583536736.db2.gz MGESKLGXTKJCAW-ZDUSSCGKSA-N 1 0 222.332 0.662 20 30 BCEDRO COCc1nccc(NCC#CC[NH+](C)C)n1 ZINC000894872803 583540313 /nfs/dbraw/zinc/54/03/13/583540313.db2.gz KXIHSBYZHOXLSK-UHFFFAOYSA-N 1 0 234.303 0.600 20 30 BCEDRO Cc1cncnc1NCC#CC[NH+](C)C ZINC000894876587 583541825 /nfs/dbraw/zinc/54/18/25/583541825.db2.gz QPGUJIWVWOJTCQ-UHFFFAOYSA-N 1 0 204.277 0.762 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@H](O)CCC)CC1 ZINC000880483931 583543691 /nfs/dbraw/zinc/54/36/91/583543691.db2.gz NCZCNUHQWLDPNA-GFCCVEGCSA-N 1 0 225.332 0.998 20 30 BCEDRO C[C@@H]([NH3+])c1cn(Cc2ccc(C#N)o2)nn1 ZINC000881302713 583550327 /nfs/dbraw/zinc/55/03/27/583550327.db2.gz HCZIMANGGPEHGK-SSDOTTSWSA-N 1 0 217.232 0.811 20 30 BCEDRO C[C@H]([NH3+])c1cn(Cc2ccc(C#N)o2)nn1 ZINC000881302714 583550360 /nfs/dbraw/zinc/55/03/60/583550360.db2.gz HCZIMANGGPEHGK-ZETCQYMHSA-N 1 0 217.232 0.811 20 30 BCEDRO C#C[C@H](CC)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000894935999 583557897 /nfs/dbraw/zinc/55/78/97/583557897.db2.gz FFVCZMBAJVRIND-OUCADQQQSA-N 1 0 249.358 0.991 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894936909 583557977 /nfs/dbraw/zinc/55/79/77/583557977.db2.gz KDGKBADGJNGSFM-TUAOUCFPSA-N 1 0 235.331 0.601 20 30 BCEDRO COC[C@H](C)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895065270 583577878 /nfs/dbraw/zinc/57/78/78/583577878.db2.gz ACACFDIRQVEOFW-LLVKDONJSA-N 1 0 239.319 0.327 20 30 BCEDRO C[C@H](CCC#N)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895065967 583577935 /nfs/dbraw/zinc/57/79/35/583577935.db2.gz LIAPVLJNJRNRFC-GFCCVEGCSA-N 1 0 248.330 0.984 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]CCC[C@H]1CCO1 ZINC000895101093 583589035 /nfs/dbraw/zinc/58/90/35/583589035.db2.gz ZIJRPLFGCDFSBG-RYUDHWBXSA-N 1 0 211.305 0.919 20 30 BCEDRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)CO1 ZINC000895157372 583607772 /nfs/dbraw/zinc/60/77/72/583607772.db2.gz PGVLBRPGJVQREY-OPRDCNLKSA-N 1 0 228.292 0.524 20 30 BCEDRO CO[C@H](C[NH2+][C@H]1CCCN(O)C1=O)C1CC1 ZINC000895158397 583608447 /nfs/dbraw/zinc/60/84/47/583608447.db2.gz ZRRIIANINXWSPR-VHSXEESVSA-N 1 0 228.292 0.381 20 30 BCEDRO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CCO1 ZINC000895159704 583608494 /nfs/dbraw/zinc/60/84/94/583608494.db2.gz XQQFWYWQWHUOCB-AXFHLTTASA-N 1 0 242.319 0.914 20 30 BCEDRO CC(C)OC[C@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895158929 583608565 /nfs/dbraw/zinc/60/85/65/583608565.db2.gz QXFQAYSLYQWHJI-VHSXEESVSA-N 1 0 230.308 0.770 20 30 BCEDRO CO[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)C1 ZINC000895159943 583608843 /nfs/dbraw/zinc/60/88/43/583608843.db2.gz JDMDMELCCSLFNQ-GMTAPVOTSA-N 1 0 242.319 0.914 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)C1 ZINC000895160705 583609456 /nfs/dbraw/zinc/60/94/56/583609456.db2.gz OSCYYRVOEAVUPG-OPRDCNLKSA-N 1 0 223.276 0.648 20 30 BCEDRO CCOC1CC([NH2+][C@@H]2CCCN(O)C2=O)C1 ZINC000895161914 583610276 /nfs/dbraw/zinc/61/02/76/583610276.db2.gz VPCWSAAIUDLWLL-UDNWOFFPSA-N 1 0 228.292 0.524 20 30 BCEDRO C[C@@H]1OCC[C@@H]1[NH2+][C@H]1CCCN(O)C1=O ZINC000895162852 583610838 /nfs/dbraw/zinc/61/08/38/583610838.db2.gz OHRSRKBNPLDIPH-CIUDSAMLSA-N 1 0 214.265 0.134 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)C1CCOCC1 ZINC000895162431 583610973 /nfs/dbraw/zinc/61/09/73/583610973.db2.gz ZLOVEOOYFMXFHI-GXSJLCMTSA-N 1 0 242.319 0.771 20 30 BCEDRO O=C1[C@H]([NH2+]C[C@@H]2CCCOC2)CCCN1O ZINC000895163300 583611115 /nfs/dbraw/zinc/61/11/15/583611115.db2.gz SVNIFVXQUNRCLW-VHSXEESVSA-N 1 0 228.292 0.383 20 30 BCEDRO O=C1[C@@H]([NH2+]C2CSC2)CCCN1O ZINC000895163182 583611223 /nfs/dbraw/zinc/61/12/23/583611223.db2.gz RYYIXWTUJCDNMF-ZETCQYMHSA-N 1 0 202.279 0.072 20 30 BCEDRO CCc1nc(C#N)cc(N2CC=C(N)[NH2+]2)n1 ZINC000895249141 583632005 /nfs/dbraw/zinc/63/20/05/583632005.db2.gz PDDHYSUEFISXEF-UHFFFAOYSA-N 1 0 216.248 0.035 20 30 BCEDRO C=CCONC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000895246582 583632543 /nfs/dbraw/zinc/63/25/43/583632543.db2.gz AXXCFQQVDAUNBY-JTQLQIEISA-N 1 0 227.308 0.840 20 30 BCEDRO CC1(C)CNC(=O)[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000895322700 583649829 /nfs/dbraw/zinc/64/98/29/583649829.db2.gz FFKCARLFJAWCAX-UTLUCORTSA-N 1 0 221.304 0.793 20 30 BCEDRO CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000895322691 583650231 /nfs/dbraw/zinc/65/02/31/583650231.db2.gz FFKCARLFJAWCAX-AEJSXWLSSA-N 1 0 221.304 0.793 20 30 BCEDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000895325863 583651092 /nfs/dbraw/zinc/65/10/92/583651092.db2.gz VEIWFKXVZMAOOK-STQMWFEESA-N 1 0 247.298 0.271 20 30 BCEDRO C#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@@]2(C)CO)cc1 ZINC000895329284 583651517 /nfs/dbraw/zinc/65/15/17/583651517.db2.gz ISOYTGDCIKJBKC-GJZGRUSLSA-N 1 0 245.322 0.986 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H](C)COC)CC1 ZINC000895384029 583663204 /nfs/dbraw/zinc/66/32/04/583663204.db2.gz GCWDYRGNFJMBHH-NSHDSACASA-N 1 0 211.305 0.729 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2cn(C)nc2CC)CC1 ZINC000895384999 583663575 /nfs/dbraw/zinc/66/35/75/583663575.db2.gz XJRSBHCKWMXMPL-UHFFFAOYSA-N 1 0 247.342 0.943 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1Cc2cnn(C)c2C1 ZINC000857883724 588920547 /nfs/dbraw/zinc/92/05/47/588920547.db2.gz MRCMTYWJTARBBW-UHFFFAOYSA-N 1 0 234.303 0.380 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895461092 583677873 /nfs/dbraw/zinc/67/78/73/583677873.db2.gz DMWMHIZYBVJSHP-VWYCJHECSA-N 1 0 245.294 0.757 20 30 BCEDRO C=CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895474723 583679309 /nfs/dbraw/zinc/67/93/09/583679309.db2.gz YAUOTXSIPZEWSN-JTQLQIEISA-N 1 0 210.277 0.009 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000895490992 583681088 /nfs/dbraw/zinc/68/10/88/583681088.db2.gz XIQLWEOVODXJFE-RVMXOQNASA-N 1 0 235.327 0.918 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1Cc2cncn2C1 ZINC000857888359 588921443 /nfs/dbraw/zinc/92/14/43/588921443.db2.gz YSVJPYYJFPDQHT-JTQLQIEISA-N 1 0 234.303 0.042 20 30 BCEDRO C[C@H](C#N)OCCN1CCc2cnc(N)nc2C1 ZINC000857924950 588924461 /nfs/dbraw/zinc/92/44/61/588924461.db2.gz YRSPTEKPKFTRMN-SECBINFHSA-N 1 0 247.302 0.346 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000895678784 583704625 /nfs/dbraw/zinc/70/46/25/583704625.db2.gz IFBIZGAZHINPFN-QJPTWQEYSA-N 1 0 235.331 0.886 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)COC(C)=O ZINC000895669138 583706487 /nfs/dbraw/zinc/70/64/87/583706487.db2.gz UUHBEQMZSNXURJ-PWSUYJOCSA-N 1 0 227.304 0.956 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000895672258 583707017 /nfs/dbraw/zinc/70/70/17/583707017.db2.gz QHQDBKGDYDXFSM-YVECIDJPSA-N 1 0 241.331 0.807 20 30 BCEDRO C#CCSCC(=O)NC[C@@H](C)[NH+](C)C ZINC000895682242 583709129 /nfs/dbraw/zinc/70/91/29/583709129.db2.gz UPHSGEOXHKWSJD-SECBINFHSA-N 1 0 214.334 0.419 20 30 BCEDRO COC(=O)[C@@]1(O)CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000895704797 583710402 /nfs/dbraw/zinc/71/04/02/583710402.db2.gz YNAOIVGSEMKAAZ-ZYHUDNBSSA-N 1 0 240.303 0.536 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000895713286 583711497 /nfs/dbraw/zinc/71/14/97/583711497.db2.gz MPSHJGUGROQDBI-UPJWGTAASA-N 1 0 243.347 0.955 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000895748426 583717063 /nfs/dbraw/zinc/71/70/63/583717063.db2.gz OOKAVZVEUJXAHF-QWHCGFSZSA-N 1 0 249.358 0.342 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000895748423 583717293 /nfs/dbraw/zinc/71/72/93/583717293.db2.gz OOKAVZVEUJXAHF-CHWSQXEVSA-N 1 0 249.358 0.342 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C[C@H](C)COC)C1 ZINC000895748954 583717573 /nfs/dbraw/zinc/71/75/73/583717573.db2.gz TYACGRUJMADHNL-STQMWFEESA-N 1 0 224.348 0.956 20 30 BCEDRO C[C@@H]1[C@@H](Nc2c(C#N)cnn2C)CC[N@@H+]1C ZINC000895736508 583718366 /nfs/dbraw/zinc/71/83/66/583718366.db2.gz JWKFQFNTCQTUAE-SCZZXKLOSA-N 1 0 219.292 0.796 20 30 BCEDRO C#CC[NH+]1CCC(Nc2ncc(C#C)cn2)CC1 ZINC000895812205 583733276 /nfs/dbraw/zinc/73/32/76/583733276.db2.gz OGRVYVSFKOOGCF-UHFFFAOYSA-N 1 0 240.310 0.967 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H](C)COCCOC ZINC000895964938 583753643 /nfs/dbraw/zinc/75/36/43/583753643.db2.gz QHVWFODDASWFHA-WDEREUQCSA-N 1 0 215.293 0.012 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895963408 583753670 /nfs/dbraw/zinc/75/36/70/583753670.db2.gz HQTNWKZKUAFPEB-LBPRGKRZSA-N 1 0 233.315 0.771 20 30 BCEDRO CCO[C@@H](CNc1ccnc(C#N)n1)C[NH+](C)C ZINC000896114030 583772070 /nfs/dbraw/zinc/77/20/70/583772070.db2.gz VERWVWSNCLTRHM-JTQLQIEISA-N 1 0 249.318 0.149 20 30 BCEDRO CCO[C@H](CNc1ccncc1C#N)C[NH+](C)C ZINC000896114974 583772158 /nfs/dbraw/zinc/77/21/58/583772158.db2.gz IBBCPCIDXOMKKU-GFCCVEGCSA-N 1 0 248.330 0.754 20 30 BCEDRO CCO[C@@H](CNc1ccnc(C#N)c1)C[NH+](C)C ZINC000896115481 583772288 /nfs/dbraw/zinc/77/22/88/583772288.db2.gz JTOYPHORJVHPRV-ZDUSSCGKSA-N 1 0 248.330 0.754 20 30 BCEDRO CCO[C@H](CNc1ccnc(C#N)n1)C[NH+](C)C ZINC000896114031 583772309 /nfs/dbraw/zinc/77/23/09/583772309.db2.gz VERWVWSNCLTRHM-SNVBAGLBSA-N 1 0 249.318 0.149 20 30 BCEDRO C#CCSCC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000896138701 583775736 /nfs/dbraw/zinc/77/57/36/583775736.db2.gz TYYRXMNLWZMWCS-SNVBAGLBSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000896348873 583795886 /nfs/dbraw/zinc/79/58/86/583795886.db2.gz YRADGZMSUTXHHR-UHFFFAOYSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCSCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000896665757 583821790 /nfs/dbraw/zinc/82/17/90/583821790.db2.gz CAXUGMJRMDWPBS-GHMZBOCLSA-N 1 0 240.372 0.952 20 30 BCEDRO CC1(C)CCC[N@@H+]1CC(=O)NCCC#N ZINC000728293790 583855805 /nfs/dbraw/zinc/85/58/05/583855805.db2.gz IRGJAXQSFDKKNE-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO CO[N-]C(=O)C[NH2+]C1CCC(C#N)CC1 ZINC000896926310 583858738 /nfs/dbraw/zinc/85/87/38/583858738.db2.gz GPLBKPCHXDIJSZ-UHFFFAOYSA-N 1 0 211.265 0.336 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000858089577 588931861 /nfs/dbraw/zinc/93/18/61/588931861.db2.gz XQZLVNPFLMYEGG-LBPRGKRZSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccnc1C ZINC000728774509 583908208 /nfs/dbraw/zinc/90/82/08/583908208.db2.gz LIUGDXQNBDNKTC-UHFFFAOYSA-N 1 0 231.299 0.619 20 30 BCEDRO C#CCSCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000897419241 583962273 /nfs/dbraw/zinc/96/22/73/583962273.db2.gz ZNQQGALMEDTEOB-UHFFFAOYSA-N 1 0 240.372 0.905 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nn2cccn2)CC1 ZINC000862766288 583969016 /nfs/dbraw/zinc/96/90/16/583969016.db2.gz UKOCRSTXIUKUPX-UHFFFAOYSA-N 1 0 232.287 0.298 20 30 BCEDRO C#CCN(CC)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000897429320 583973047 /nfs/dbraw/zinc/97/30/47/583973047.db2.gz DKTRQVAGEZQKPU-GFCCVEGCSA-N 1 0 237.347 0.993 20 30 BCEDRO C#C[C@@H](C)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897433976 583973775 /nfs/dbraw/zinc/97/37/75/583973775.db2.gz IHVIKJJJIJLJBU-SNVBAGLBSA-N 1 0 236.315 0.235 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cn[nH]c1 ZINC000858333955 588946711 /nfs/dbraw/zinc/94/67/11/588946711.db2.gz QGHHPNXWSPRJBC-NSHDSACASA-N 1 0 207.277 0.928 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000897456824 583987360 /nfs/dbraw/zinc/98/73/60/583987360.db2.gz MBAPTTIILJRZSE-LLVKDONJSA-N 1 0 223.320 0.603 20 30 BCEDRO C=CCCN(C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897517572 583999803 /nfs/dbraw/zinc/99/98/03/583999803.db2.gz VSDYXDJZTZUCBX-LBPRGKRZSA-N 1 0 238.331 0.742 20 30 BCEDRO C#C[C@H](CC)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897555679 584018207 /nfs/dbraw/zinc/01/82/07/584018207.db2.gz VWQDNNHCDPFHIX-NEPJUHHUSA-N 1 0 236.315 0.235 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000729625239 584019487 /nfs/dbraw/zinc/01/94/87/584019487.db2.gz DLAZOYOLORWXGB-NSHDSACASA-N 1 0 228.336 0.891 20 30 BCEDRO C=CCOCC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000729625238 584019492 /nfs/dbraw/zinc/01/94/92/584019492.db2.gz DLAZOYOLORWXGB-LLVKDONJSA-N 1 0 228.336 0.891 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(O)cc1F ZINC000729931398 584030511 /nfs/dbraw/zinc/03/05/11/584030511.db2.gz DADNFNIARPAXOB-UHFFFAOYSA-N 1 0 210.212 0.738 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NC[C@@H]1COCCN1C ZINC000858394809 588950871 /nfs/dbraw/zinc/95/08/71/588950871.db2.gz ATFXAXNCBKLPPJ-WDEREUQCSA-N 1 0 239.319 0.028 20 30 BCEDRO C#CCSCC(=O)NCC[N@H+]1CC=CCC1 ZINC000897621362 584032644 /nfs/dbraw/zinc/03/26/44/584032644.db2.gz YYQMVMFLHXDFAE-UHFFFAOYSA-N 1 0 238.356 0.731 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897648651 584034890 /nfs/dbraw/zinc/03/48/90/584034890.db2.gz CZVXEDQCGJWOCZ-GHMZBOCLSA-N 1 0 240.347 0.912 20 30 BCEDRO C#CCONC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000897812736 584047156 /nfs/dbraw/zinc/04/71/56/584047156.db2.gz XMSPHUDXKAOKSI-NSHDSACASA-N 1 0 248.286 0.471 20 30 BCEDRO C#CCSCC(=O)NC[C@@H](C)C[NH+](C)C ZINC000897824197 584051838 /nfs/dbraw/zinc/05/18/38/584051838.db2.gz WXVKLYDHFNCXAN-SNVBAGLBSA-N 1 0 228.361 0.667 20 30 BCEDRO Cn1nnnc1CCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000898039865 584079807 /nfs/dbraw/zinc/07/98/07/584079807.db2.gz IMCKWXFOGBOEFS-WDEREUQCSA-N 1 0 248.334 0.815 20 30 BCEDRO Cn1nnnc1CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000898038834 584079875 /nfs/dbraw/zinc/07/98/75/584079875.db2.gz SCDIHIRSGGNAKW-ZJUUUORDSA-N 1 0 234.307 0.425 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NC/C=C/C ZINC000858492876 588960749 /nfs/dbraw/zinc/96/07/49/588960749.db2.gz FHOQKCFOXXNLHD-GQCTYLIASA-N 1 0 223.320 0.817 20 30 BCEDRO C=C1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000898703579 584152388 /nfs/dbraw/zinc/15/23/88/584152388.db2.gz TZCKFOURJHAOAS-LBPRGKRZSA-N 1 0 206.289 0.871 20 30 BCEDRO C=C1CN(C(=O)CN2CC[NH+](CC)CC2)C1 ZINC000898698761 584155390 /nfs/dbraw/zinc/15/53/90/584155390.db2.gz RKBSGEOCIUOJHB-UHFFFAOYSA-N 1 0 223.320 0.022 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000899247182 584187970 /nfs/dbraw/zinc/18/79/70/584187970.db2.gz FUQJCNWGEYOHFD-NSHDSACASA-N 1 0 207.277 0.157 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000899249363 584188418 /nfs/dbraw/zinc/18/84/18/584188418.db2.gz YFFQBFAJFPPUND-GXSJLCMTSA-N 1 0 209.293 0.695 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000899249364 584188441 /nfs/dbraw/zinc/18/84/41/584188441.db2.gz YFFQBFAJFPPUND-KOLCDFICSA-N 1 0 209.293 0.695 20 30 BCEDRO N#Cc1ncn(CCNc2cc[nH+]c(CO)c2)n1 ZINC000858544178 588964344 /nfs/dbraw/zinc/96/43/44/588964344.db2.gz QWLQQXXQLNQCDE-UHFFFAOYSA-N 1 0 244.258 0.149 20 30 BCEDRO CNC(NC[C@H]1CC[N@@H+]1C1CCOCC1)=[NH+]C ZINC000899262372 584190455 /nfs/dbraw/zinc/19/04/55/584190455.db2.gz JXEBVJNXAIOCFT-LLVKDONJSA-N 1 0 240.351 0.035 20 30 BCEDRO CCNC(NCc1cn(C)nc1OC)=[NH+]CC ZINC000899263524 584190897 /nfs/dbraw/zinc/19/08/97/584190897.db2.gz BFGGHDGKLRZNMJ-UHFFFAOYSA-N 1 0 239.323 0.504 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899271010 584191704 /nfs/dbraw/zinc/19/17/04/584191704.db2.gz RTGHVDVPXYDFNL-QMMMGPOBSA-N 1 0 224.308 0.201 20 30 BCEDRO C[N@H+](CCO)CCNC(=O)c1cccc(C#N)c1 ZINC000899726057 584229722 /nfs/dbraw/zinc/22/97/22/584229722.db2.gz FOOPCQQGLORDMZ-UHFFFAOYSA-N 1 0 247.298 0.212 20 30 BCEDRO C[N@H+](CCO)CCNC(=O)CCCCCC#N ZINC000899738654 584232982 /nfs/dbraw/zinc/23/29/82/584232982.db2.gz KDTPVBFSLYXLTQ-UHFFFAOYSA-N 1 0 241.335 0.501 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C(=O)NCC ZINC000899980572 584261521 /nfs/dbraw/zinc/26/15/21/584261521.db2.gz FONRFTPSZPGZKZ-JTQLQIEISA-N 1 0 241.335 0.135 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCOC ZINC000900299419 584292612 /nfs/dbraw/zinc/29/26/12/584292612.db2.gz SCJVHQIQUIGREJ-UHFFFAOYSA-N 1 0 214.309 0.599 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)COC ZINC000900388162 584305746 /nfs/dbraw/zinc/30/57/46/584305746.db2.gz LFCHPWKZGLQGCK-SNVBAGLBSA-N 1 0 228.336 0.893 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](O)/C=C\C)CC1 ZINC000900598519 584330345 /nfs/dbraw/zinc/33/03/45/584330345.db2.gz HQEALLQZMXLXDN-FHMRSRPSSA-N 1 0 238.331 0.690 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@H]1CCOC1 ZINC000900611454 584331277 /nfs/dbraw/zinc/33/12/77/584331277.db2.gz RRVRXTMRZSVLGW-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCc1ncc[nH]1 ZINC000900646493 584335302 /nfs/dbraw/zinc/33/53/02/584335302.db2.gz DPRVUODEVGYNMO-UHFFFAOYSA-N 1 0 236.319 0.576 20 30 BCEDRO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000900666916 584337671 /nfs/dbraw/zinc/33/76/71/584337671.db2.gz QHWQPCPVYJASLJ-DGCLKSJQSA-N 1 0 232.327 0.858 20 30 BCEDRO C=CC[C@H](C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900741045 584347524 /nfs/dbraw/zinc/34/75/24/584347524.db2.gz GELUIWDERNCNOG-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900743340 584348053 /nfs/dbraw/zinc/34/80/53/584348053.db2.gz WPUMEWMPSFDOLD-NHCYSSNCSA-N 1 0 226.320 0.522 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)CCF)CC1 ZINC000900797980 584353115 /nfs/dbraw/zinc/35/31/15/584353115.db2.gz KRECJYMENWNMQQ-UHFFFAOYSA-N 1 0 226.295 0.950 20 30 BCEDRO C[C@H](NC(=O)C#CC1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000900809872 584355728 /nfs/dbraw/zinc/35/57/28/584355728.db2.gz FBFFLVPCGGOTAT-AAEUAGOBSA-N 1 0 249.358 0.150 20 30 BCEDRO C#CCSCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000900912877 584366049 /nfs/dbraw/zinc/36/60/49/584366049.db2.gz OVJFSNYKNCSSPF-LLVKDONJSA-N 1 0 240.372 0.811 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CC)C(=O)OC ZINC000900988035 584372870 /nfs/dbraw/zinc/37/28/70/584372870.db2.gz VXBAKHLRUUVTDB-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C(=O)OC ZINC000901064833 584380219 /nfs/dbraw/zinc/38/02/19/584380219.db2.gz RSCFEEHSEYWARR-SECBINFHSA-N 1 0 228.292 0.172 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)CCC ZINC000901072842 584381670 /nfs/dbraw/zinc/38/16/70/584381670.db2.gz KFROUYSFENFAEH-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](C)CCO ZINC000901082582 584382346 /nfs/dbraw/zinc/38/23/46/584382346.db2.gz KVAHIZRQJQVZTK-SNVBAGLBSA-N 1 0 228.336 0.629 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CCO ZINC000901083572 584382597 /nfs/dbraw/zinc/38/25/97/584382597.db2.gz MHGPWQQCDBMZAF-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)CCO ZINC000901082581 584382681 /nfs/dbraw/zinc/38/26/81/584382681.db2.gz KVAHIZRQJQVZTK-JTQLQIEISA-N 1 0 228.336 0.629 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000901093345 584384464 /nfs/dbraw/zinc/38/44/64/584384464.db2.gz IIJGEMHGJULPRL-NWDGAFQWSA-N 1 0 238.331 0.548 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CC)CCO ZINC000901095289 584384695 /nfs/dbraw/zinc/38/46/95/584384695.db2.gz VEWAUDNREMCOCD-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1ncccn1 ZINC000901147607 584391304 /nfs/dbraw/zinc/39/13/04/584391304.db2.gz RIDNBQPJCMPLOO-UHFFFAOYSA-N 1 0 234.303 0.601 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H](C)CO ZINC000901197397 584397663 /nfs/dbraw/zinc/39/76/63/584397663.db2.gz IXPYFVRYHLDMMY-JTQLQIEISA-N 1 0 214.309 0.334 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnn(C3CCC3)c2)N1 ZINC000901215656 584401463 /nfs/dbraw/zinc/40/14/63/584401463.db2.gz LITLTOCKNMUFCK-SECBINFHSA-N 1 0 246.318 0.879 20 30 BCEDRO C[C@@H]1C(N=Nc2ccnn2C)CC[N@@H+]1C ZINC000901219917 584403249 /nfs/dbraw/zinc/40/32/49/584403249.db2.gz JDXGFUHBRJUTLS-MRVPVSSYSA-N 1 0 207.281 0.912 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1=NO[C@H](C)C1 ZINC000901250090 584409768 /nfs/dbraw/zinc/40/97/68/584409768.db2.gz PTUUVTGQENGCBQ-SECBINFHSA-N 1 0 225.292 0.733 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccnn1C1CCC1 ZINC000901252813 584410146 /nfs/dbraw/zinc/41/01/46/584410146.db2.gz ORJGSUZHKVKFKZ-UHFFFAOYSA-N 1 0 246.318 0.881 20 30 BCEDRO CC(=NN[C@@H]1CCC[C@H]1O)c1c[nH]c(N)[nH+]1 ZINC000901252259 584410298 /nfs/dbraw/zinc/41/02/98/584410298.db2.gz CGZQOVPYMIDKKI-VXNVDRBHSA-N 1 0 223.280 0.219 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc(F)c(O)c1 ZINC000901252898 584410318 /nfs/dbraw/zinc/41/03/18/584410318.db2.gz RBHZCXIEDLAKFJ-UHFFFAOYSA-N 1 0 236.250 0.804 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(C)[C@@H](C)O ZINC000901276753 584413136 /nfs/dbraw/zinc/41/31/36/584413136.db2.gz AFTXTRXUQCJJOJ-SNVBAGLBSA-N 1 0 228.336 0.770 20 30 BCEDRO CCNN=C1CC[NH+](CCC(=O)OC)CC1 ZINC000901281177 584414917 /nfs/dbraw/zinc/41/49/17/584414917.db2.gz LKVDNDSYGUQDFA-UHFFFAOYSA-N 1 0 227.308 0.611 20 30 BCEDRO CCn1cncc1C=NN[C@@H]1CCC[C@H]1O ZINC000901333011 584425649 /nfs/dbraw/zinc/42/56/49/584425649.db2.gz WJDUNXNGYKXNFC-GHMZBOCLSA-N 1 0 222.292 0.740 20 30 BCEDRO C#CCCOC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000858915796 588984786 /nfs/dbraw/zinc/98/47/86/588984786.db2.gz ITIRSXCQPFZRCS-JTQLQIEISA-N 1 0 210.277 0.830 20 30 BCEDRO N#CCC[C@@H](C#N)C[NH2+]CCO[C@@H]1CCOC1 ZINC000901616125 584469977 /nfs/dbraw/zinc/46/99/77/584469977.db2.gz KVDIQLCIICLIJC-NWDGAFQWSA-N 1 0 237.303 0.825 20 30 BCEDRO N#Cc1csc(CN[C@H]2C[NH2+]CCOC2)n1 ZINC000902447687 584605079 /nfs/dbraw/zinc/60/50/79/584605079.db2.gz VCWNGTJJZNNZDO-VIFPVBQESA-N 1 0 238.316 0.093 20 30 BCEDRO CO[C@H]1CC[C@@H]1N(C)Cn1cccc(C#N)c1=O ZINC000902639171 584649127 /nfs/dbraw/zinc/64/91/27/584649127.db2.gz OQHNXETXJLMGCR-RYUDHWBXSA-N 1 0 247.298 0.787 20 30 BCEDRO C[C@@H]([NH2+]CCOCCO)c1cc(C#N)ccn1 ZINC000902725702 584660972 /nfs/dbraw/zinc/66/09/72/584660972.db2.gz FAVNSJIONMYYAL-SNVBAGLBSA-N 1 0 235.287 0.613 20 30 BCEDRO C=CCNC(=O)NC(=O)CN1CCC[C@H](F)C1 ZINC000903002583 584716540 /nfs/dbraw/zinc/71/65/40/584716540.db2.gz DECMVUFETXFNLG-VIFPVBQESA-N 1 0 243.282 0.432 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cn(C)nn1 ZINC000903095724 584729273 /nfs/dbraw/zinc/72/92/73/584729273.db2.gz XQVFVCUTLWAKQE-NXEZZACHSA-N 1 0 224.308 0.793 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CC(CC(N)=O)C2)C1 ZINC000903261588 584740333 /nfs/dbraw/zinc/74/03/33/584740333.db2.gz YHRDDIOVHLYZLV-VKAADOFISA-N 1 0 221.304 0.922 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1CC[NH2+]C12CCC2 ZINC000903464983 584779243 /nfs/dbraw/zinc/77/92/43/584779243.db2.gz COLVGYWCEZYZLL-SNVBAGLBSA-N 1 0 223.320 0.163 20 30 BCEDRO C[NH2+]C[C@](C)(O)CN1CCC[C@H](C#N)C1 ZINC000903563522 584782587 /nfs/dbraw/zinc/78/25/87/584782587.db2.gz GKHSOFMJCUKPGP-MNOVXSKESA-N 1 0 211.309 0.192 20 30 BCEDRO C=CCN1CC[C@@H](N2C[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557432 584782748 /nfs/dbraw/zinc/78/27/48/584782748.db2.gz OHHPVKTYCPODQZ-MNOVXSKESA-N 1 0 237.347 0.442 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@]12CC[NH2+]C2 ZINC000903592059 584785147 /nfs/dbraw/zinc/78/51/47/584785147.db2.gz AUTAWONEGZXHNF-NSHDSACASA-N 1 0 244.360 0.720 20 30 BCEDRO C[C@]1(C#N)CCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903767127 584797931 /nfs/dbraw/zinc/79/79/31/584797931.db2.gz UOOBWJCZDZNXBR-MGPQQGTHSA-N 1 0 249.358 0.991 20 30 BCEDRO C[C@]1(C#N)CN(C[C@@H]2CC[NH2+]C2)CCO1 ZINC000903823242 584804697 /nfs/dbraw/zinc/80/46/97/584804697.db2.gz FCNRVIZHHVDILJ-MNOVXSKESA-N 1 0 209.293 0.210 20 30 BCEDRO COCC[C@H]1C[NH2+]CCN1Cc1ccc(C#N)o1 ZINC000903839233 584806975 /nfs/dbraw/zinc/80/69/75/584806975.db2.gz JIHNDTIBQYDLAR-NSHDSACASA-N 1 0 249.314 0.962 20 30 BCEDRO C#CCCOC(=O)N1CCN(CCO)C[C@@H]1C ZINC000859183998 589015737 /nfs/dbraw/zinc/01/57/37/589015737.db2.gz VXLVSVVNNICVRY-NSHDSACASA-N 1 0 240.303 0.145 20 30 BCEDRO C#CCNC(=S)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000758240785 584905174 /nfs/dbraw/zinc/90/51/74/584905174.db2.gz GPXZADGGXJTZNY-KOLCDFICSA-N 1 0 237.372 0.566 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000829810415 584907843 /nfs/dbraw/zinc/90/78/43/584907843.db2.gz PSNRKUVWCMTNJO-SNVBAGLBSA-N 1 0 234.303 0.344 20 30 BCEDRO CCO[C@H](CNC(=O)C#CC1CC1)C[NH+](C)C ZINC000831712790 584910658 /nfs/dbraw/zinc/91/06/58/584910658.db2.gz FWYCFAAJXFTPSR-GFCCVEGCSA-N 1 0 238.331 0.483 20 30 BCEDRO COCCC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000834479610 584913590 /nfs/dbraw/zinc/91/35/90/584913590.db2.gz GSOILLKMHIBAAS-ZJUUUORDSA-N 1 0 237.303 0.031 20 30 BCEDRO C[C@@H]1CC/C(=C/C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000834500541 584913609 /nfs/dbraw/zinc/91/36/09/584913609.db2.gz UKPCOKMICOVSJD-MSUBTLRASA-N 1 0 233.315 0.961 20 30 BCEDRO CON=C1CC[NH+](CCN2CCOCC2)CC1 ZINC000731559440 584927199 /nfs/dbraw/zinc/92/71/99/584927199.db2.gz ZYSIOIYKQZGSPT-UHFFFAOYSA-N 1 0 241.335 0.417 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1=NOC[C@H]1CCOC1 ZINC000788037700 584928076 /nfs/dbraw/zinc/92/80/76/584928076.db2.gz XQRXRUGMBMJYDL-UWVGGRQHSA-N 1 0 212.293 0.977 20 30 BCEDRO C[NH+](C)CCCNC(=S)NN=C1CCOC1 ZINC000731930634 584931845 /nfs/dbraw/zinc/93/18/45/584931845.db2.gz GDVUPPQERKGCNU-UHFFFAOYSA-N 1 0 244.364 0.179 20 30 BCEDRO Cc1ccc(F)c2c1C(=NNC(N)=[NH2+])C(=O)N2 ZINC000732710478 584939875 /nfs/dbraw/zinc/93/98/75/584939875.db2.gz OYKAPUXMODTABD-UHFFFAOYSA-N 1 0 235.222 0.273 20 30 BCEDRO C#CCCC[N@@H+](C)CC(=O)NCCCOC ZINC000766895455 584944416 /nfs/dbraw/zinc/94/44/16/584944416.db2.gz MPNPVXPVOVGVGN-UHFFFAOYSA-N 1 0 226.320 0.484 20 30 BCEDRO C[C@@H]([NH3+])[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC000884295791 584948788 /nfs/dbraw/zinc/94/87/88/584948788.db2.gz GZHWKGAWQRCSFE-RQJHMYQMSA-N 1 0 206.249 0.352 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000733647279 584951567 /nfs/dbraw/zinc/95/15/67/584951567.db2.gz PINRRWHXUNBWHP-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO CCN(C)c1ccc(C=[NH+]NC[C@H](C)O)cn1 ZINC000814966196 584971087 /nfs/dbraw/zinc/97/10/87/584971087.db2.gz RENKAKHSCIBZEM-JTQLQIEISA-N 1 0 236.319 0.842 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000819231530 585000236 /nfs/dbraw/zinc/00/02/36/585000236.db2.gz XWDNTWBDIHGCDY-CQSZACIVSA-N 1 0 244.294 0.831 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2nccs2)N1 ZINC000814898179 585023352 /nfs/dbraw/zinc/02/33/52/585023352.db2.gz RHFPBBVRZUBMKR-ZCFIWIBFSA-N 1 0 209.278 0.414 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)NCc1ccccc1 ZINC000841507139 585040808 /nfs/dbraw/zinc/04/08/08/585040808.db2.gz VVCQJICMOJFRTN-NEPJUHHUSA-N 1 0 244.298 0.597 20 30 BCEDRO CON=CC(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000838147221 585047200 /nfs/dbraw/zinc/04/72/00/585047200.db2.gz BCBKZJDYRCEKCH-JTQLQIEISA-N 1 0 227.308 0.467 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N1CC(C2CC2)C1 ZINC000838621853 585063994 /nfs/dbraw/zinc/06/39/94/585063994.db2.gz GFTCHMTVIXULNN-UHFFFAOYSA-N 1 0 249.358 0.993 20 30 BCEDRO C=CCONC(=O)NC[C@H]1CCC[N@H+]1C ZINC000838706864 585065517 /nfs/dbraw/zinc/06/55/17/585065517.db2.gz DFXINNIBNXJGGX-SECBINFHSA-N 1 0 213.281 0.497 20 30 BCEDRO C=CCONC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000838706496 585065629 /nfs/dbraw/zinc/06/56/29/585065629.db2.gz QJOZFZUPJMVPAP-SNVBAGLBSA-N 1 0 227.308 0.888 20 30 BCEDRO C=CCONC(=O)N(CCOC)CC[NH+](C)C ZINC000838708081 585065819 /nfs/dbraw/zinc/06/58/19/585065819.db2.gz WMVGMGXFHPGHRC-UHFFFAOYSA-N 1 0 245.323 0.324 20 30 BCEDRO C#C[C@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CCCO1 ZINC000838935929 585081704 /nfs/dbraw/zinc/08/17/04/585081704.db2.gz IAUPJJVAQDLOPA-RYUDHWBXSA-N 1 0 219.288 0.723 20 30 BCEDRO C=CCNC(=O)COC(=O)[C@@H]1CCCCN1C ZINC000741145307 585110229 /nfs/dbraw/zinc/11/02/29/585110229.db2.gz RHEGRNRBRVZEON-JTQLQIEISA-N 1 0 240.303 0.316 20 30 BCEDRO CCO[C@H]1CC(N=NC(N)=[NH2+])C12CCC2 ZINC000741160683 585110737 /nfs/dbraw/zinc/11/07/37/585110737.db2.gz XGXLFRLIJSAICY-QMMMGPOBSA-N 1 0 210.281 0.805 20 30 BCEDRO Cc1cc(C=NNC(N)=[NH2+])ccc1-n1cncn1 ZINC000743417652 585136410 /nfs/dbraw/zinc/13/64/10/585136410.db2.gz MKBFLKLGUKCVPE-UHFFFAOYSA-N 1 0 243.274 0.393 20 30 BCEDRO C=CCNC(=S)N[C@H](C)CC[NH+](C)C ZINC000743580841 585138092 /nfs/dbraw/zinc/13/80/92/585138092.db2.gz XBQROGXWUIPLLD-SECBINFHSA-N 1 0 215.366 0.977 20 30 BCEDRO C#CC[N@H+](CC#CC)CCCN1CCOC1=O ZINC000743852463 585140981 /nfs/dbraw/zinc/14/09/81/585140981.db2.gz QCCHKAGJKFKGBP-UHFFFAOYSA-N 1 0 234.299 0.787 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745858973 585161230 /nfs/dbraw/zinc/16/12/30/585161230.db2.gz VSMHOIDNDUUNIN-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000745901670 585161412 /nfs/dbraw/zinc/16/14/12/585161412.db2.gz NTLBJBZAHKCEHD-UHFFFAOYSA-N 1 0 246.314 0.628 20 30 BCEDRO C#CCNC(=O)CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000746462012 585168460 /nfs/dbraw/zinc/16/84/60/585168460.db2.gz JWQQDSORMIGBGN-LBPRGKRZSA-N 1 0 237.347 0.008 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccc(COC)cc1 ZINC000746514383 585169670 /nfs/dbraw/zinc/16/96/70/585169670.db2.gz YNQTYEIZCBRWEY-UHFFFAOYSA-N 1 0 246.310 0.672 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCc2ccon2)CC1 ZINC000747334958 585177999 /nfs/dbraw/zinc/17/79/99/585177999.db2.gz AWULNOOTLUKPMG-UHFFFAOYSA-N 1 0 247.298 0.636 20 30 BCEDRO C#CCCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000748569425 585194147 /nfs/dbraw/zinc/19/41/47/585194147.db2.gz BLQQOWSOOGHFRX-ZDUSSCGKSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H]1CCCCNC1=O ZINC000839530724 585199198 /nfs/dbraw/zinc/19/91/98/585199198.db2.gz DTVCMJLLVBGKEH-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO CNC(NCc1nc(C2CC2)no1)=[NH+]C ZINC000750543422 585217083 /nfs/dbraw/zinc/21/70/83/585217083.db2.gz XNMBTAYWBBIJKS-UHFFFAOYSA-N 1 0 209.253 0.242 20 30 BCEDRO C#CCCSc1nnnn1CC[NH+](C)C ZINC000751773178 585236601 /nfs/dbraw/zinc/23/66/01/585236601.db2.gz JENFXHNOWQVPEM-UHFFFAOYSA-N 1 0 225.321 0.350 20 30 BCEDRO C#CCOCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000753225918 585255437 /nfs/dbraw/zinc/25/54/37/585255437.db2.gz FYVVMHISDYGJIY-LLVKDONJSA-N 1 0 226.320 0.339 20 30 BCEDRO C#CCOCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000753240196 585255842 /nfs/dbraw/zinc/25/58/42/585255842.db2.gz OUFQXESRSAHNCB-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C[C@H]1CSCC[N@H+](CC(=O)NCCC#N)C1 ZINC000753837728 585270485 /nfs/dbraw/zinc/27/04/85/585270485.db2.gz NOIFNZWRNOLSNS-SNVBAGLBSA-N 1 0 241.360 0.701 20 30 BCEDRO C#CC(=O)NC[C@@H](Cc1ccccc1)[NH+](C)C ZINC000753900337 585271801 /nfs/dbraw/zinc/27/18/01/585271801.db2.gz AGYVOPCYNQDQQZ-CYBMUJFWSA-N 1 0 230.311 0.909 20 30 BCEDRO C#CC(=O)Nc1ccc(N2CC[NH+](C)CC2)cn1 ZINC000753944016 585272774 /nfs/dbraw/zinc/27/27/74/585272774.db2.gz RPKOOJRWVNVCBN-UHFFFAOYSA-N 1 0 244.298 0.405 20 30 BCEDRO C#CC(=O)NCC1([NH+]2CCCC2)CCOCC1 ZINC000754022565 585275623 /nfs/dbraw/zinc/27/56/23/585275623.db2.gz WHVKKPFSSVWQHO-UHFFFAOYSA-N 1 0 236.315 0.381 20 30 BCEDRO C#CC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000754024177 585275704 /nfs/dbraw/zinc/27/57/04/585275704.db2.gz IWCWKYSZKCGVRZ-UHFFFAOYSA-N 1 0 224.304 0.189 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+](C[C@H]2C[C@@H]2C)CC1 ZINC000754105791 585278640 /nfs/dbraw/zinc/27/86/40/585278640.db2.gz PIYBSCVTSHXNBC-QWHCGFSZSA-N 1 0 249.358 0.009 20 30 BCEDRO CC[C@@H]([NH2+]CC(=O)NCCC#N)[C@@H]1CCCO1 ZINC000754522219 585285570 /nfs/dbraw/zinc/28/55/70/585285570.db2.gz YHJJYEDGAGXOGM-MNOVXSKESA-N 1 0 239.319 0.563 20 30 BCEDRO COC(=O)C1CCC(N=NC(N)=[NH2+])CC1 ZINC000754922962 585292481 /nfs/dbraw/zinc/29/24/81/585292481.db2.gz LVMZKILVOKSTBU-UHFFFAOYSA-N 1 0 212.253 0.189 20 30 BCEDRO COc1cccc(OC)c1C=NNC(N)=[NH2+] ZINC000755633783 585302845 /nfs/dbraw/zinc/30/28/45/585302845.db2.gz NMBIKBNBSYUXRD-UHFFFAOYSA-N 1 0 222.248 0.521 20 30 BCEDRO c1nc(CN=Nc2ncnc3[nH]cnc32)c[nH]1 ZINC000755662778 585303817 /nfs/dbraw/zinc/30/38/17/585303817.db2.gz UJZMBWLDDZMNSB-UHFFFAOYSA-N 1 0 228.219 0.522 20 30 BCEDRO Cn1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)nn1 ZINC000755815231 585307926 /nfs/dbraw/zinc/30/79/26/585307926.db2.gz QISOVEDVWYLRFU-NXEZZACHSA-N 1 0 247.306 0.009 20 30 BCEDRO C#CCOCCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000755865723 585309139 /nfs/dbraw/zinc/30/91/39/585309139.db2.gz CURTUXFWJBPLNR-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCOCCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000755902585 585309887 /nfs/dbraw/zinc/30/98/87/585309887.db2.gz HHSDUJXHUPUXOX-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO N#Cc1cccc(N2CCC([NH3+])(CO)CC2)n1 ZINC000755909730 585310028 /nfs/dbraw/zinc/31/00/28/585310028.db2.gz SHSYIFDXHGWJQM-UHFFFAOYSA-N 1 0 232.287 0.243 20 30 BCEDRO C#CCOCCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000755929549 585310994 /nfs/dbraw/zinc/31/09/94/585310994.db2.gz FZIYSLZUZZFIBZ-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)OC)[C@H]1CCCO1 ZINC000839565258 585330353 /nfs/dbraw/zinc/33/03/53/585330353.db2.gz WCZJBRXIHLNZGV-VHSXEESVSA-N 1 0 211.261 0.320 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCCNC1=O)[C@@H]1CCCO1 ZINC000839563301 585331383 /nfs/dbraw/zinc/33/13/83/585331383.db2.gz HAVRUUQUNJYMJX-DCAQKATOSA-N 1 0 222.288 0.035 20 30 BCEDRO CON=CC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000839634851 585333006 /nfs/dbraw/zinc/33/30/06/585333006.db2.gz XORQEJIREDHLQZ-SECBINFHSA-N 1 0 213.281 0.171 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000839656755 585333525 /nfs/dbraw/zinc/33/35/25/585333525.db2.gz XGYLGDQONCVPFG-SNVBAGLBSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC(C)(C)C[C@@H]1C ZINC000839660775 585334322 /nfs/dbraw/zinc/33/43/22/585334322.db2.gz OMRSXRKBPXKRIC-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@](C)(OC)C1CC1 ZINC000839638348 585334947 /nfs/dbraw/zinc/33/49/47/585334947.db2.gz HTXDKICEHDPACU-ZWNOBZJWSA-N 1 0 238.331 0.529 20 30 BCEDRO CC(C)S(=O)(=O)NN=C1CCC[N@H+](C)CC1 ZINC000758115875 585349544 /nfs/dbraw/zinc/34/95/44/585349544.db2.gz IZBXRAGLRHTVCG-UHFFFAOYSA-N 1 0 247.364 0.786 20 30 BCEDRO C#CCNC(=S)NC[C@@H](C)C[NH+]1CCCC1 ZINC000758198144 585351531 /nfs/dbraw/zinc/35/15/31/585351531.db2.gz NOMPILUPWFCTSY-LLVKDONJSA-N 1 0 239.388 0.816 20 30 BCEDRO C#CCNC(=S)N1CC[NH+](CCC)CC1 ZINC000758196043 585351649 /nfs/dbraw/zinc/35/16/49/585351649.db2.gz SKRKUTJYSJSMMF-UHFFFAOYSA-N 1 0 225.361 0.522 20 30 BCEDRO C#CCNC(=S)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000758193900 585351677 /nfs/dbraw/zinc/35/16/77/585351677.db2.gz RSYMGSGTWPJHGH-WDEREUQCSA-N 1 0 237.372 0.711 20 30 BCEDRO C#CCNC(=S)NC[C@H](C)[NH+]1CCCCC1 ZINC000758203185 585352008 /nfs/dbraw/zinc/35/20/08/585352008.db2.gz JZRFJEMRUFSAPC-NSHDSACASA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCNC(=S)NCC[N@@H+](C)C1CCCC1 ZINC000758227282 585352158 /nfs/dbraw/zinc/35/21/58/585352158.db2.gz BRXBYSHYNXZSEE-UHFFFAOYSA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCNC(=S)N1CC[NH+](C2CCC2)CC1 ZINC000758232125 585352374 /nfs/dbraw/zinc/35/23/74/585352374.db2.gz ZEWTYPZOKUTTFA-UHFFFAOYSA-N 1 0 237.372 0.664 20 30 BCEDRO C[C@H]1COCCN(Cn2cccc(C#N)c2=O)C1 ZINC000758243241 585352740 /nfs/dbraw/zinc/35/27/40/585352740.db2.gz OJRXPRVCKCVYDL-LLVKDONJSA-N 1 0 247.298 0.646 20 30 BCEDRO C#CCNC(=S)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000758248218 585352988 /nfs/dbraw/zinc/35/29/88/585352988.db2.gz UOSRUYWQPXQIGD-ZJUUUORDSA-N 1 0 225.361 0.566 20 30 BCEDRO NC(=O)CN[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758887951 585361182 /nfs/dbraw/zinc/36/11/82/585361182.db2.gz HZXLOMFRCDRXEG-UHFFFAOYSA-N 1 0 247.302 0.091 20 30 BCEDRO C#CCCCC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000760293972 585389567 /nfs/dbraw/zinc/38/95/67/585389567.db2.gz AONDTBJKBDWRRB-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+]C1(C(=O)NC)CCCC1 ZINC000760844191 585399177 /nfs/dbraw/zinc/39/91/77/585399177.db2.gz KSZXMGMFXWGMLV-LLVKDONJSA-N 1 0 240.347 0.962 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](COCCOC)C1 ZINC000760842004 585399281 /nfs/dbraw/zinc/39/92/81/585399281.db2.gz UNRCIRGGFGOPDE-GFCCVEGCSA-N 1 0 211.305 0.995 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](CC)CC(=O)NC ZINC000760847817 585399695 /nfs/dbraw/zinc/39/96/95/585399695.db2.gz SELMLUJMAJISQU-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C#CCCN1CC[NH+](CCCCO)CC1 ZINC000760864310 585400287 /nfs/dbraw/zinc/40/02/87/585400287.db2.gz ZQZXYJIKWWWYRH-UHFFFAOYSA-N 1 0 210.321 0.400 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761081013 585406569 /nfs/dbraw/zinc/40/65/69/585406569.db2.gz LMMVLLBLUFPSJM-RYUDHWBXSA-N 1 0 212.337 0.949 20 30 BCEDRO C[C@H]1CC(N=Nc2cnn(C)c2)C[N@@H+]1C ZINC000761881107 585421941 /nfs/dbraw/zinc/42/19/41/585421941.db2.gz JLJMWFDKYTWAFS-QMMMGPOBSA-N 1 0 207.281 0.912 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C1([NH+](C)C)CCC1 ZINC000763030161 585441927 /nfs/dbraw/zinc/44/19/27/585441927.db2.gz OSTFJVXUZVQMKI-VIFPVBQESA-N 1 0 209.293 0.889 20 30 BCEDRO C[C@@H]([NH2+][C@@H](CO)C1CC1)C(=O)N(C)CCC#N ZINC000763066216 585442854 /nfs/dbraw/zinc/44/28/54/585442854.db2.gz IHKCEZNGXRKULQ-KOLCDFICSA-N 1 0 239.319 0.107 20 30 BCEDRO C#CC(=O)NCc1ccnc(OCC[NH+](C)C)c1 ZINC000763221758 585444884 /nfs/dbraw/zinc/44/48/84/585444884.db2.gz LGQLRZVDFJMQFR-UHFFFAOYSA-N 1 0 247.298 0.271 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)[C@@H]1CCCO1 ZINC000763780910 585454149 /nfs/dbraw/zinc/45/41/49/585454149.db2.gz OFKLTURGDNJEKW-WOPDTQHZSA-N 1 0 249.310 0.853 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccccn1 ZINC000763903846 585456800 /nfs/dbraw/zinc/45/68/00/585456800.db2.gz UNFJENBMNPOPBI-UHFFFAOYSA-N 1 0 219.288 0.816 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cccnc1OC ZINC000764145902 585460827 /nfs/dbraw/zinc/46/08/27/585460827.db2.gz KRVUVHILWFFOBP-UHFFFAOYSA-N 1 0 249.314 0.824 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)Cc1cnn(C)c1 ZINC000764229061 585462003 /nfs/dbraw/zinc/46/20/03/585462003.db2.gz SBVJNUQDYKHIRU-UHFFFAOYSA-N 1 0 236.319 0.496 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCOC(C)(C)C1 ZINC000764247240 585462837 /nfs/dbraw/zinc/46/28/37/585462837.db2.gz KXKWKNGNADWYID-UHFFFAOYSA-N 1 0 226.320 0.742 20 30 BCEDRO C#CCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000764480163 585466501 /nfs/dbraw/zinc/46/65/01/585466501.db2.gz FGDHRHHHCBRYPY-UHFFFAOYSA-N 1 0 222.332 0.806 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(CC)(CO)CC1 ZINC000764484628 585466522 /nfs/dbraw/zinc/46/65/22/585466522.db2.gz GLAFVYBAJMMYHT-UHFFFAOYSA-N 1 0 238.331 0.220 20 30 BCEDRO CC#CC(=O)N1CC[N@H+](C)C[C@H]1C(C)C ZINC000764534584 585467205 /nfs/dbraw/zinc/46/72/05/585467205.db2.gz DCJSGPBHRWNARJ-NSHDSACASA-N 1 0 208.305 0.808 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC)COC ZINC000764537169 585467248 /nfs/dbraw/zinc/46/72/48/585467248.db2.gz KUUQKHLTKVIIHM-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO CC#CC(=O)N1CC[N@H+](C)C[C@@H]1C(C)C ZINC000764534582 585467450 /nfs/dbraw/zinc/46/74/50/585467450.db2.gz DCJSGPBHRWNARJ-LLVKDONJSA-N 1 0 208.305 0.808 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CCOC1 ZINC000764613535 585468907 /nfs/dbraw/zinc/46/89/07/585468907.db2.gz PINIJVJPEFURQT-LLVKDONJSA-N 1 0 226.320 0.599 20 30 BCEDRO C[C@@H]1CN(C2CC2)CC1=NNS(C)(=O)=O ZINC000764699349 585471122 /nfs/dbraw/zinc/47/11/22/585471122.db2.gz FJUBLMALTSTZJT-SSDOTTSWSA-N 1 0 231.321 0.006 20 30 BCEDRO CC[C@@H](C(=O)NC1=NO[C@@H](C)C1)[NH+](C)C ZINC000765383439 585484835 /nfs/dbraw/zinc/48/48/35/585484835.db2.gz IDRHLTWYZCTMME-YUMQZZPRSA-N 1 0 213.281 0.565 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)NC1=NO[C@@H](C)C1 ZINC000765383348 585484969 /nfs/dbraw/zinc/48/49/69/585484969.db2.gz GNHVKMCAIRBKIQ-QMMMGPOBSA-N 1 0 213.281 0.565 20 30 BCEDRO CCC[N@H+](C)CC(=O)NC1=NO[C@H](C)C1 ZINC000765384667 585485223 /nfs/dbraw/zinc/48/52/23/585485223.db2.gz POCKPXWLVJODRP-MRVPVSSYSA-N 1 0 213.281 0.567 20 30 BCEDRO NC(=[NH2+])NN=Cc1ncccc1C(F)(F)F ZINC000765571649 585489920 /nfs/dbraw/zinc/48/99/20/585489920.db2.gz HGMFPWKHXQITJU-UHFFFAOYSA-N 1 0 231.181 0.917 20 30 BCEDRO C1C[C@H]2C(=NNC3CCOCC3)CC[N@H+]2C1 ZINC000765581786 585490084 /nfs/dbraw/zinc/49/00/84/585490084.db2.gz AFKJFTDAKSWQON-LBPRGKRZSA-N 1 0 223.320 0.979 20 30 BCEDRO C1C[C@@H]2C(N=NC3CCOCC3)CC[N@@H+]2C1 ZINC000765581782 585490379 /nfs/dbraw/zinc/49/03/79/585490379.db2.gz AFKJFTDAKSWQON-GFCCVEGCSA-N 1 0 223.320 0.979 20 30 BCEDRO C[C@@H](C#N)CN=NC1CC[N@@H+]2CCC[C@H]12 ZINC000765582107 585490391 /nfs/dbraw/zinc/49/03/91/585490391.db2.gz CAWMXEHJBAQHNB-GXSJLCMTSA-N 1 0 206.293 0.960 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](CO)C(C)C ZINC000805320144 585497561 /nfs/dbraw/zinc/49/75/61/585497561.db2.gz HTEQBTNSZICBLC-NSHDSACASA-N 1 0 228.336 0.485 20 30 BCEDRO CCO[C@@H]1CCCC1=NNC1=[NH+][C@H](C)CN1 ZINC000766455959 585502696 /nfs/dbraw/zinc/50/26/96/585502696.db2.gz VTPQXVBNVNQBSX-PSASIEDQSA-N 1 0 224.308 0.869 20 30 BCEDRO C#CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000805333451 585505655 /nfs/dbraw/zinc/50/56/55/585505655.db2.gz JPOZURCVDMOJCR-MNOVXSKESA-N 1 0 206.289 0.705 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000805335017 585508294 /nfs/dbraw/zinc/50/82/94/585508294.db2.gz NJJAMJMIZVERQK-VXGBXAGGSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000805335016 585508354 /nfs/dbraw/zinc/50/83/54/585508354.db2.gz NJJAMJMIZVERQK-RYUDHWBXSA-N 1 0 238.331 0.620 20 30 BCEDRO C#CCCC[NH+]1CCN(C(=O)CN(C)C)CC1 ZINC000766894517 585509343 /nfs/dbraw/zinc/50/93/43/585509343.db2.gz CYWVACMRJQOXLT-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000766917349 585511485 /nfs/dbraw/zinc/51/14/85/585511485.db2.gz GNSTUSSGUCEZMB-SNVBAGLBSA-N 1 0 230.333 0.153 20 30 BCEDRO CC(C)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000767371710 585518178 /nfs/dbraw/zinc/51/81/78/585518178.db2.gz YKNKJALALWFVIS-QXMHVHEDSA-N 1 0 237.303 0.758 20 30 BCEDRO NC(=[NH2+])NN=Cc1cc(-c2ccccc2)n[nH]1 ZINC000767743661 585525466 /nfs/dbraw/zinc/52/54/66/585525466.db2.gz KLBYCBSIGJAMCM-UHFFFAOYSA-N 1 0 228.259 0.894 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCOC(C)(C)C ZINC000767905488 585528193 /nfs/dbraw/zinc/52/81/93/585528193.db2.gz OXNCQLYFKDQVNT-LLVKDONJSA-N 1 0 240.347 0.871 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)NCCC#N ZINC000768765877 585542931 /nfs/dbraw/zinc/54/29/31/585542931.db2.gz VNXHLHZFULTWOG-WDEREUQCSA-N 1 0 238.335 0.041 20 30 BCEDRO C[C@@H]1CC(=NN2C(=O)CNC2=O)CN1C1CC1 ZINC000770619227 585577709 /nfs/dbraw/zinc/57/77/09/585577709.db2.gz XWYZPXVYHOPZTF-SSDOTTSWSA-N 1 0 236.275 0.151 20 30 BCEDRO CC#CCOC(=O)[C@@H]1CN(CC)CCO1 ZINC000805468446 585620498 /nfs/dbraw/zinc/62/04/98/585620498.db2.gz HCHRWGHTYMYZGM-JTQLQIEISA-N 1 0 211.261 0.274 20 30 BCEDRO C#C[C@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000772889049 585626549 /nfs/dbraw/zinc/62/65/49/585626549.db2.gz FYOVOCHGJLZXQY-SRVKXCTJSA-N 1 0 236.315 0.378 20 30 BCEDRO C=Cn1cc(C=NNC2=[NH+]C[C@H](C)N2)cn1 ZINC000773078060 585630909 /nfs/dbraw/zinc/63/09/09/585630909.db2.gz FERVTMVXTKABKG-QMMMGPOBSA-N 1 0 218.264 0.255 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(C)(COC)CC1 ZINC000773727519 585642948 /nfs/dbraw/zinc/64/29/48/585642948.db2.gz NLTRLLJPVBSOME-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO CON=CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000773737714 585643088 /nfs/dbraw/zinc/64/30/88/585643088.db2.gz STRDIQCAJHDMBF-UHFFFAOYSA-N 1 0 225.292 0.362 20 30 BCEDRO CON=CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000773807056 585643796 /nfs/dbraw/zinc/64/37/96/585643796.db2.gz FRSOOMRCLQCDDQ-ZJUUUORDSA-N 1 0 225.292 0.362 20 30 BCEDRO CON=CC(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000773806502 585644220 /nfs/dbraw/zinc/64/42/20/585644220.db2.gz AWTCWBIDWGYUMF-JTQLQIEISA-N 1 0 227.308 0.467 20 30 BCEDRO C=C(CO)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000773806507 585644305 /nfs/dbraw/zinc/64/43/05/585644305.db2.gz AYRIHJQHFVRKKQ-SNVBAGLBSA-N 1 0 226.320 0.383 20 30 BCEDRO CON=CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000773843227 585644866 /nfs/dbraw/zinc/64/48/66/585644866.db2.gz ZIFCRGKPRDJOLK-UHFFFAOYSA-N 1 0 225.292 0.173 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H](CCO)C2CC2)CC1 ZINC000859250103 589024063 /nfs/dbraw/zinc/02/40/63/589024063.db2.gz FRISSNRJBZYFOE-NWDGAFQWSA-N 1 0 238.331 0.792 20 30 BCEDRO CON=CC(=O)NCC[N@H+](C)C1CCCC1 ZINC000773931747 585646531 /nfs/dbraw/zinc/64/65/31/585646531.db2.gz LNAMUCJJUUGDCH-UHFFFAOYSA-N 1 0 227.308 0.609 20 30 BCEDRO CON=CC(=O)N[C@H](C)CC[NH+](C)C ZINC000773951384 585646870 /nfs/dbraw/zinc/64/68/70/585646870.db2.gz AFGJUQQTJAPBCU-MRVPVSSYSA-N 1 0 201.270 0.075 20 30 BCEDRO CON=CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000774024568 585648470 /nfs/dbraw/zinc/64/84/70/585648470.db2.gz NHIFGZZTRXDOFC-VHSXEESVSA-N 1 0 227.308 0.608 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@@H]1C1CC1 ZINC000774094454 585650022 /nfs/dbraw/zinc/65/00/22/585650022.db2.gz YNQHJFAONUFXGK-GFCCVEGCSA-N 1 0 238.331 0.742 20 30 BCEDRO C#C[C@H]([NH2+]C1CCN(C=O)CC1)[C@@H]1CCCO1 ZINC000774365427 585657015 /nfs/dbraw/zinc/65/70/15/585657015.db2.gz ZZPHELNVPQZJCL-STQMWFEESA-N 1 0 236.315 0.378 20 30 BCEDRO CON=CC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000774440284 585658984 /nfs/dbraw/zinc/65/89/84/585658984.db2.gz VDMQABYIJXYOTO-UWVGGRQHSA-N 1 0 227.308 0.560 20 30 BCEDRO CON=CC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000774464170 585659678 /nfs/dbraw/zinc/65/96/78/585659678.db2.gz IGDSZWNSLBOXJA-UHFFFAOYSA-N 1 0 241.335 0.857 20 30 BCEDRO CON=CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000774469531 585659836 /nfs/dbraw/zinc/65/98/36/585659836.db2.gz YNWBIKFSXAQFLM-VIFPVBQESA-N 1 0 213.281 0.029 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC000775564641 585679507 /nfs/dbraw/zinc/67/95/07/585679507.db2.gz SHADMKNNRDXZAE-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)NC1CC1)[C@@H]1CCCO1 ZINC000775784279 585684834 /nfs/dbraw/zinc/68/48/34/585684834.db2.gz HKSBBQNYYAIVDA-DLOVCJGASA-N 1 0 236.315 0.424 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)NC1CC1)[C@H]1CCCO1 ZINC000775784281 585684892 /nfs/dbraw/zinc/68/48/92/585684892.db2.gz HKSBBQNYYAIVDA-ZMLRMANQSA-N 1 0 236.315 0.424 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(=O)NC(C)C)[C@@H]1CCCO1 ZINC000775789199 585684924 /nfs/dbraw/zinc/68/49/24/585684924.db2.gz KZJPPHJHISTXCD-NEPJUHHUSA-N 1 0 238.331 0.672 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@H]1CCCO1 ZINC000775799822 585685126 /nfs/dbraw/zinc/68/51/26/585685126.db2.gz MZYOVPIRFIEIGH-CHWSQXEVSA-N 1 0 246.310 0.656 20 30 BCEDRO C#C[C@@H]([NH2+]CCN1CCCC1=O)[C@H]1CCCO1 ZINC000775801047 585685430 /nfs/dbraw/zinc/68/54/30/585685430.db2.gz VYBSSNULSNDBMN-VXGBXAGGSA-N 1 0 236.315 0.379 20 30 BCEDRO C#C[C@H]([NH2+]CCn1cc(C)cn1)[C@@H]1CCCO1 ZINC000775800721 585685577 /nfs/dbraw/zinc/68/55/77/585685577.db2.gz RAQBCRRBYCCKPL-STQMWFEESA-N 1 0 233.315 0.962 20 30 BCEDRO CNC(=S)NN=Cc1c[nH+]ccc1N(C)C ZINC000776183876 585691919 /nfs/dbraw/zinc/69/19/19/585691919.db2.gz RBMUJEKWUJRCAW-UHFFFAOYSA-N 1 0 237.332 0.575 20 30 BCEDRO C#CCCN1CC[NH+](CC2(O)CCCC2)CC1 ZINC000776593457 585702141 /nfs/dbraw/zinc/70/21/41/585702141.db2.gz XRWKRLTXQYBPPJ-UHFFFAOYSA-N 1 0 236.359 0.932 20 30 BCEDRO C#CCC[NH+]1CCN(CC#CCOC)CC1 ZINC000776593378 585702149 /nfs/dbraw/zinc/70/21/49/585702149.db2.gz UTSRLPQEAPSACP-UHFFFAOYSA-N 1 0 220.316 0.277 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2cc(C)n(C)n2)CC1 ZINC000776594820 585702346 /nfs/dbraw/zinc/70/23/46/585702346.db2.gz WTKURBMELKICEV-UHFFFAOYSA-N 1 0 246.358 0.869 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2cncn2C)CC1 ZINC000776592802 585702490 /nfs/dbraw/zinc/70/24/90/585702490.db2.gz AHIFHJRRZMSYDB-UHFFFAOYSA-N 1 0 232.331 0.561 20 30 BCEDRO C[C@H]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)=NO1 ZINC000777434761 585712081 /nfs/dbraw/zinc/71/20/81/585712081.db2.gz AWIUFANKBMGCNR-JGVFFNPUSA-N 1 0 211.265 0.319 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@H+](C)CC(=C)C)CC1 ZINC000778231643 585728509 /nfs/dbraw/zinc/72/85/09/585728509.db2.gz NAPIHXIFXQLISL-UHFFFAOYSA-N 1 0 249.358 0.272 20 30 BCEDRO C#CCNC(=O)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000778247756 585729202 /nfs/dbraw/zinc/72/92/02/585729202.db2.gz XTMDRMNKXORASZ-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000778296282 585730591 /nfs/dbraw/zinc/73/05/91/585730591.db2.gz VHLSEPDQPNNSML-WDEREUQCSA-N 1 0 208.305 0.986 20 30 BCEDRO C#CCCC[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000778358319 585732308 /nfs/dbraw/zinc/73/23/08/585732308.db2.gz XPJOCAYLCSNDFF-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO C#CCCS(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000808306717 585733947 /nfs/dbraw/zinc/73/39/47/585733947.db2.gz ACDXMJMBYRVJHZ-UHFFFAOYSA-N 1 0 244.360 0.366 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000778426113 585734424 /nfs/dbraw/zinc/73/44/24/585734424.db2.gz CBTVSJNIGRKZTF-WCQYABFASA-N 1 0 238.331 0.219 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCOc1ccc(C)cc1 ZINC000779328416 585751229 /nfs/dbraw/zinc/75/12/29/585751229.db2.gz RNTINVCIMCGGRF-UHFFFAOYSA-N 1 0 246.310 0.713 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H](CC)CO)CC1 ZINC000779770795 585761856 /nfs/dbraw/zinc/76/18/56/585761856.db2.gz ZIVLTPGATDMNQO-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]C[C@H](C)N2)cc1 ZINC000779781031 585762699 /nfs/dbraw/zinc/76/26/99/585762699.db2.gz AHDOPEDOEQTURP-VIFPVBQESA-N 1 0 232.287 0.966 20 30 BCEDRO CO[C@H]1CCCCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779793655 585763605 /nfs/dbraw/zinc/76/36/05/585763605.db2.gz WEFDXAMEASKERS-WPRPVWTQSA-N 1 0 224.308 0.869 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2c[nH]c3ncccc23)N1 ZINC000779791185 585763699 /nfs/dbraw/zinc/76/36/99/585763699.db2.gz GRLQIOCSVWVJCQ-QMMMGPOBSA-N 1 0 242.286 0.834 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc(O)cc2)N1 ZINC000779791396 585763911 /nfs/dbraw/zinc/76/39/11/585763911.db2.gz IPIHNCGXWGVXDF-QMMMGPOBSA-N 1 0 218.260 0.663 20 30 BCEDRO Cc1ccc(O)c(C=NNC2=[NH+]C[C@@H](C)N2)n1 ZINC000779792281 585763937 /nfs/dbraw/zinc/76/39/37/585763937.db2.gz KMTXPYCJIVMJPO-MRVPVSSYSA-N 1 0 233.275 0.367 20 30 BCEDRO CCc1ncc(C=NNC2=[NH+]C[C@H](C)N2)s1 ZINC000779793926 585763981 /nfs/dbraw/zinc/76/39/81/585763981.db2.gz CFWYKAXKIMAIDD-ZETCQYMHSA-N 1 0 237.332 0.977 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cccnc2)N1 ZINC000779792813 585764040 /nfs/dbraw/zinc/76/40/40/585764040.db2.gz PKMCRKOFYBNKSK-QMMMGPOBSA-N 1 0 203.249 0.353 20 30 BCEDRO CCn1nccc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779793310 585764112 /nfs/dbraw/zinc/76/41/12/585764112.db2.gz ZQYPYNASNGAPQQ-QMMMGPOBSA-N 1 0 220.280 0.174 20 30 BCEDRO COc1cc(C)nc(C=NNC2=[NH+]C[C@H](C)N2)c1 ZINC000779794455 585764265 /nfs/dbraw/zinc/76/42/65/585764265.db2.gz HTVBKIMMFNBWSK-VIFPVBQESA-N 1 0 247.302 0.670 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cccn2C)N1 ZINC000779795025 585764340 /nfs/dbraw/zinc/76/43/40/585764340.db2.gz OXRRXKJOMZNJPV-QMMMGPOBSA-N 1 0 205.265 0.296 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cc(F)ccc2O)N1 ZINC000779794273 585764523 /nfs/dbraw/zinc/76/45/23/585764523.db2.gz GACDRDGGGJWCDK-ZETCQYMHSA-N 1 0 236.250 0.803 20 30 BCEDRO C[C@H]1CC(N=Nc2ccncc2)C[N@@H+]1C ZINC000779810027 585766149 /nfs/dbraw/zinc/76/61/49/585766149.db2.gz XWESYSAKQUWHKC-VIFPVBQESA-N 1 0 204.277 0.995 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2CCc3cc(O)ccc32)N1 ZINC000780242858 585774507 /nfs/dbraw/zinc/77/45/07/585774507.db2.gz IDGQDINFUOAMLO-MRVPVSSYSA-N 1 0 244.298 0.980 20 30 BCEDRO C[NH+](C)CCNC(=O)NCc1ccc(C#N)cn1 ZINC000780655330 585782686 /nfs/dbraw/zinc/78/26/86/585782686.db2.gz UOPNKLWCLZVRLK-UHFFFAOYSA-N 1 0 247.302 0.314 20 30 BCEDRO C=CCOCCNC(=O)C1([NH+](C)C)CCC1 ZINC000781044770 585789094 /nfs/dbraw/zinc/78/90/94/585789094.db2.gz OJKSLOMLKCEFQM-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC=CO1 ZINC000781474075 585796555 /nfs/dbraw/zinc/79/65/55/585796555.db2.gz AGJGFHZXUXLRME-OLZOCXBDSA-N 1 0 248.326 0.893 20 30 BCEDRO CCC[N@H+](C)CC(=O)NCc1ccc(C#N)cn1 ZINC000782028634 585807134 /nfs/dbraw/zinc/80/71/34/585807134.db2.gz HNGNARROUXEHDU-UHFFFAOYSA-N 1 0 246.314 0.911 20 30 BCEDRO C#CCNC(=S)NCC1([NH+](C)C)CCC1 ZINC000782215444 585812411 /nfs/dbraw/zinc/81/24/11/585812411.db2.gz VJOMVUNPLZEWNQ-UHFFFAOYSA-N 1 0 225.361 0.568 20 30 BCEDRO C[C@H](C#N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000783917908 585845905 /nfs/dbraw/zinc/84/59/05/585845905.db2.gz DGSGPFJIEJYCLA-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO CC1(C[NH2+]CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000785469944 585874297 /nfs/dbraw/zinc/87/42/97/585874297.db2.gz XQQQCVKMUVZKSA-QXMHVHEDSA-N 1 0 249.314 0.903 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1[C@@H](C)O ZINC000785546045 585875627 /nfs/dbraw/zinc/87/56/27/585875627.db2.gz KXQPQDGMRVKUCN-QJPTWQEYSA-N 1 0 238.331 0.217 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H]1C=C ZINC000785997706 585884970 /nfs/dbraw/zinc/88/49/70/585884970.db2.gz QUSADBBCEYLUQL-LLVKDONJSA-N 1 0 206.289 0.776 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000787324288 585906796 /nfs/dbraw/zinc/90/67/96/585906796.db2.gz IHFMXWQVYLUYGU-WDEREUQCSA-N 1 0 225.288 0.520 20 30 BCEDRO C#CCCC[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000787366437 585907918 /nfs/dbraw/zinc/90/79/18/585907918.db2.gz KAKIMOZLBFBNBB-UHFFFAOYSA-N 1 0 238.331 0.581 20 30 BCEDRO N#CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000787370965 585907957 /nfs/dbraw/zinc/90/79/57/585907957.db2.gz SOYTVERVHZPLKC-MNOVXSKESA-N 1 0 236.319 0.826 20 30 BCEDRO C#CCOCCC(=O)N(CC)CCC[NH+](C)C ZINC000787531518 585911131 /nfs/dbraw/zinc/91/11/31/585911131.db2.gz CHAFTLQEZOLSJB-UHFFFAOYSA-N 1 0 240.347 0.827 20 30 BCEDRO CC#CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000788305429 585921427 /nfs/dbraw/zinc/92/14/27/585921427.db2.gz AOZOOVRLVTZYLY-RYUDHWBXSA-N 1 0 220.316 0.952 20 30 BCEDRO N#Cc1cnc2c(c1)CCCC2=NNC(N)=[NH2+] ZINC000788424055 585923004 /nfs/dbraw/zinc/92/30/04/585923004.db2.gz CGJSEVBHASPDDF-UHFFFAOYSA-N 1 0 228.259 0.477 20 30 BCEDRO CON=C1CC[NH+](CCC(=O)OC)CC1 ZINC000788710366 585929272 /nfs/dbraw/zinc/92/92/72/585929272.db2.gz XDCWTPALEYQYAE-UHFFFAOYSA-N 1 0 214.265 0.648 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cc(C)nn1C ZINC000789036564 585933990 /nfs/dbraw/zinc/93/39/90/585933990.db2.gz GKXSQXQKBKXWSB-MRVPVSSYSA-N 1 0 234.307 0.390 20 30 BCEDRO Cc1nn(CC[NH+]2CCCC2)c(=O)c(C#N)c1C ZINC000789893458 585952584 /nfs/dbraw/zinc/95/25/84/585952584.db2.gz YTMBDUTZNPDUKC-UHFFFAOYSA-N 1 0 246.314 0.828 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)CC1(C#N)CCOCC1 ZINC000859276578 589026863 /nfs/dbraw/zinc/02/68/63/589026863.db2.gz ZXVLNHFSKIBOKI-GFCCVEGCSA-N 1 0 236.315 0.623 20 30 BCEDRO C#CCOCCNC(=O)c1ccc2c[nH+]cn2c1 ZINC000790947839 585970694 /nfs/dbraw/zinc/97/06/94/585970694.db2.gz ZENWXCGLPHAUKF-UHFFFAOYSA-N 1 0 243.266 0.714 20 30 BCEDRO CC#CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000791199234 585975260 /nfs/dbraw/zinc/97/52/60/585975260.db2.gz IMSVYFVOTDMLJF-GFCCVEGCSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(CO)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000791346467 585978249 /nfs/dbraw/zinc/97/82/49/585978249.db2.gz FOBAUEGKGQEPFQ-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C2CC2)CC1 ZINC000791348518 585978479 /nfs/dbraw/zinc/97/84/79/585978479.db2.gz PRWNOQVAFVZSRG-UHFFFAOYSA-N 1 0 237.347 0.411 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1n[nH]c(C)n1 ZINC000791352864 585978539 /nfs/dbraw/zinc/97/85/39/585978539.db2.gz ZHPIXPMIWLVUIF-UHFFFAOYSA-N 1 0 209.253 0.169 20 30 BCEDRO C=C(CO)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000791388478 585979897 /nfs/dbraw/zinc/97/98/97/585979897.db2.gz WRYLGDLWXZNCJE-VHSXEESVSA-N 1 0 224.304 0.276 20 30 BCEDRO C=CCN(CCOC)C[C@H](O)C[NH+]1CCCC1 ZINC000792406661 586000495 /nfs/dbraw/zinc/00/04/95/586000495.db2.gz JWXGFQDYUTXYFI-ZDUSSCGKSA-N 1 0 242.363 0.578 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)CCc1cn(C)nn1 ZINC000859280236 589027324 /nfs/dbraw/zinc/02/73/24/589027324.db2.gz JAUJAGYDAPLGPA-UHFFFAOYSA-N 1 0 206.293 0.701 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000792939199 586007327 /nfs/dbraw/zinc/00/73/27/586007327.db2.gz GDZCVDMODGABLM-ZDUSSCGKSA-N 1 0 236.315 0.238 20 30 BCEDRO Cc1nc(C)c(C=NNC2=[NH+]C[C@@H](C)N2)o1 ZINC000793040308 586008808 /nfs/dbraw/zinc/00/88/08/586008808.db2.gz SXCOSYMGLBAJNS-ZCFIWIBFSA-N 1 0 221.264 0.563 20 30 BCEDRO C#CC(C)(C)[N@H+](C)C[C@H](O)CC1(O)CCC1 ZINC000859281363 589027452 /nfs/dbraw/zinc/02/74/52/589027452.db2.gz UGLLZYWQGRKCEG-LLVKDONJSA-N 1 0 225.332 0.996 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)c1cc(C)nn1C ZINC000793545021 586022430 /nfs/dbraw/zinc/02/24/30/586022430.db2.gz RHMAJUDNDMLIIH-SNVBAGLBSA-N 1 0 236.319 0.681 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@](C)(CO)C(C)C ZINC000793762981 586026032 /nfs/dbraw/zinc/02/60/32/586026032.db2.gz BVTQNZICHWKHDB-LBPRGKRZSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)C1CCCC1 ZINC000794174401 586033931 /nfs/dbraw/zinc/03/39/31/586033931.db2.gz YGVBSGPBCDTMGA-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@]1(C#N)CC1(C)C ZINC000794161244 586033983 /nfs/dbraw/zinc/03/39/83/586033983.db2.gz NKHJYKVVDPAGLZ-LBPRGKRZSA-N 1 0 221.304 0.913 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NOC/C=C/Cl ZINC000794291781 586036712 /nfs/dbraw/zinc/03/67/12/586036712.db2.gz YTLYGBFVSDNQIX-SNAWJCMRSA-N 1 0 218.684 0.905 20 30 BCEDRO C[C@@H]1CCC(N=NC(N)=[NH2+])[C@@H](n2cncn2)C1 ZINC000794489515 586040593 /nfs/dbraw/zinc/04/05/93/586040593.db2.gz WZWBIWWNJHIURM-APPZFPTMSA-N 1 0 235.295 0.478 20 30 BCEDRO COC(=O)C[C@H]1CCC(N=NC(N)=[NH2+])[C@@H]1C ZINC000794488502 586040727 /nfs/dbraw/zinc/04/07/27/586040727.db2.gz ISWFWFIWMZCENG-RNFRBKRXSA-N 1 0 226.280 0.435 20 30 BCEDRO CC(C)n1nccc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000794532086 586042429 /nfs/dbraw/zinc/04/24/29/586042429.db2.gz ZZMFYGUNAPWZEJ-SECBINFHSA-N 1 0 234.307 0.735 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cn[nH]c1 ZINC000794857385 586051558 /nfs/dbraw/zinc/05/15/58/586051558.db2.gz GYOJMPFNKBYZQZ-LURJTMIESA-N 1 0 206.253 0.071 20 30 BCEDRO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cn[nH]c1 ZINC000794857480 586051599 /nfs/dbraw/zinc/05/15/99/586051599.db2.gz IODQVFPRHXKPII-PHIMTYICSA-N 1 0 246.318 0.994 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)CC1(O)CCC1 ZINC000859282101 589028009 /nfs/dbraw/zinc/02/80/09/589028009.db2.gz ZZRQPRIJDBSSPA-QWRGUYRKSA-N 1 0 211.305 0.606 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1cncnc1 ZINC000794977143 586060828 /nfs/dbraw/zinc/06/08/28/586060828.db2.gz YARJXGXLIGPZSP-QMMMGPOBSA-N 1 0 205.265 0.826 20 30 BCEDRO C#CCCC[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000796579500 586107414 /nfs/dbraw/zinc/10/74/14/586107414.db2.gz NHLJUYOQZQKJSE-NEPJUHHUSA-N 1 0 211.305 0.872 20 30 BCEDRO C=C(CO)C(=O)NCC(C)(C)C[NH+](C)C ZINC000798276726 586142229 /nfs/dbraw/zinc/14/22/29/586142229.db2.gz GYAWXTMXODRCCK-UHFFFAOYSA-N 1 0 214.309 0.239 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000799070770 586155571 /nfs/dbraw/zinc/15/55/71/586155571.db2.gz SJCWVAHNBFKNPO-RYUDHWBXSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)[C@H](CC)[NH+](C)C ZINC000799078096 586155936 /nfs/dbraw/zinc/15/59/36/586155936.db2.gz XXQMDPJEKFFUJV-QWRGUYRKSA-N 1 0 226.320 0.217 20 30 BCEDRO CON(C)C(=O)CCN(C)C[C@@H](C)C#N ZINC000799121357 586159271 /nfs/dbraw/zinc/15/92/71/586159271.db2.gz VUNGARTYQQTFAS-VIFPVBQESA-N 1 0 213.281 0.488 20 30 BCEDRO C=C1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799122497 586159382 /nfs/dbraw/zinc/15/93/82/586159382.db2.gz QEFPQVKIOAKIGK-SECBINFHSA-N 1 0 208.261 0.444 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@]3(CO)C2)C1=O ZINC000799166797 586164163 /nfs/dbraw/zinc/16/41/63/586164163.db2.gz JTLYXBQWSSDYHN-GMXVVIOVSA-N 1 0 236.315 0.088 20 30 BCEDRO C#CCCC[N@@H+]1CCOC[C@@]12CCOC2 ZINC000799347863 586172837 /nfs/dbraw/zinc/17/28/37/586172837.db2.gz PTVJJRFFEYMJGR-LBPRGKRZSA-N 1 0 209.289 0.891 20 30 BCEDRO C#CC[C@H](CO)[NH2+]CCC(=O)Nc1cccnc1 ZINC000843078010 586174482 /nfs/dbraw/zinc/17/44/82/586174482.db2.gz RPCAPXKFWUDVKI-GFCCVEGCSA-N 1 0 247.298 0.384 20 30 BCEDRO CCOC(=O)c1cc(C=NNC(N)=[NH2+])[nH]c1C ZINC000799476808 586178277 /nfs/dbraw/zinc/17/82/77/586178277.db2.gz WJLJOBGLHBSZIW-UHFFFAOYSA-N 1 0 237.263 0.317 20 30 BCEDRO Cc1ccc(NNC2=CC(=O)N3CCC[C@@H]23)[nH+]n1 ZINC000799479856 586178496 /nfs/dbraw/zinc/17/84/96/586178496.db2.gz JOMAGCJBINDVAE-JTQLQIEISA-N 1 0 245.286 0.948 20 30 BCEDRO Cc1cc(NNC2=CC(=O)N3CCC[C@H]23)[nH+]cn1 ZINC000799480056 586178799 /nfs/dbraw/zinc/17/87/99/586178799.db2.gz FIBASCUSWCPXKB-SNVBAGLBSA-N 1 0 245.286 0.948 20 30 BCEDRO C#CCCOC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000859393793 589034725 /nfs/dbraw/zinc/03/47/25/589034725.db2.gz LKIRNYIRZWEKMS-JTQLQIEISA-N 1 0 210.277 0.830 20 30 BCEDRO CC#CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000801216194 586248491 /nfs/dbraw/zinc/24/84/91/586248491.db2.gz PQJYKSNEVILNOF-LLVKDONJSA-N 1 0 238.331 0.313 20 30 BCEDRO CC#CC(=O)N(C)CCC[NH+]1CCCC1 ZINC000801302592 586252649 /nfs/dbraw/zinc/25/26/49/586252649.db2.gz TVCZWMHNWCSYAJ-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)CCN1CCCC1=O ZINC000801920261 586277533 /nfs/dbraw/zinc/27/75/33/586277533.db2.gz OMZKXZIAVSIHEF-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO CC(C)C(=O)NCC[N@H+](C)CCO[C@@H](C)C#N ZINC000801940722 586280576 /nfs/dbraw/zinc/28/05/76/586280576.db2.gz QJGZJXODIOJHMC-NSHDSACASA-N 1 0 241.335 0.619 20 30 BCEDRO CC(C)C(=O)NCC[N@H+](C)CCO[C@H](C)C#N ZINC000801940721 586280706 /nfs/dbraw/zinc/28/07/06/586280706.db2.gz QJGZJXODIOJHMC-LLVKDONJSA-N 1 0 241.335 0.619 20 30 BCEDRO CC[C@]1(O)CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801946076 586281590 /nfs/dbraw/zinc/28/15/90/586281590.db2.gz KWCPCZPGRQBMCU-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1ccnn1C)[C@H]1CCCO1 ZINC000801943469 586281881 /nfs/dbraw/zinc/28/18/81/586281881.db2.gz WGHDBTOBCXZONZ-CHWSQXEVSA-N 1 0 233.315 0.733 20 30 BCEDRO C[C@@H](C#N)OCCN1CCO[C@]2(CCOC2)C1 ZINC000801942405 586281918 /nfs/dbraw/zinc/28/19/18/586281918.db2.gz QTRCRGIXPBRWQA-NWDGAFQWSA-N 1 0 240.303 0.406 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)CC1(CO)CC1 ZINC000801947448 586282862 /nfs/dbraw/zinc/28/28/62/586282862.db2.gz VJSYJZIKBOUHDW-SNVBAGLBSA-N 1 0 212.293 0.619 20 30 BCEDRO CC(C)OC[C@@H](CO)[N@H+](C)CCO[C@@H](C)C#N ZINC000801951917 586282966 /nfs/dbraw/zinc/28/29/66/586282966.db2.gz ZQJSBKMEQAIYPK-NWDGAFQWSA-N 1 0 244.335 0.633 20 30 BCEDRO C#CC[N@H+]1CC2(CCOCC2)CC[C@@H]1CO ZINC000859519323 589042305 /nfs/dbraw/zinc/04/23/05/589042305.db2.gz LWWZODZCFKXRGR-GFCCVEGCSA-N 1 0 223.316 0.873 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1nncn1C1CC1 ZINC000803515342 586363595 /nfs/dbraw/zinc/36/35/95/586363595.db2.gz NKVRZUNGYZTDDP-UHFFFAOYSA-N 1 0 235.291 0.669 20 30 BCEDRO COC[C@H](C#N)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803701935 586369951 /nfs/dbraw/zinc/36/99/51/586369951.db2.gz YUTFSDCNJPPOFC-VHSXEESVSA-N 1 0 228.292 0.654 20 30 BCEDRO C#CCOCCC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000804382208 586394501 /nfs/dbraw/zinc/39/45/01/586394501.db2.gz YOYKHKDAECIANH-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO CCCN(CC[NH+]1CCCC1)C(=O)C=NOC ZINC000804442321 586395950 /nfs/dbraw/zinc/39/59/50/586395950.db2.gz AMJPDRBSDJCOQK-UHFFFAOYSA-N 1 0 241.335 0.953 20 30 BCEDRO C#CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000804526372 586397990 /nfs/dbraw/zinc/39/79/90/586397990.db2.gz QDFGOBQKCQXMKS-GHMZBOCLSA-N 1 0 206.289 0.705 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CCOC[C@@H]1C ZINC000804616174 586403315 /nfs/dbraw/zinc/40/33/15/586403315.db2.gz AHZMWCYKEIIZLI-NWDGAFQWSA-N 1 0 240.347 0.893 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@@H]2CCC[C@@H]21 ZINC000859642525 589051661 /nfs/dbraw/zinc/05/16/61/589051661.db2.gz YJPUYXOJRPXDKX-NWDGAFQWSA-N 1 0 209.289 0.890 20 30 BCEDRO CC[N@@H+]1CCC(N=Nc2nc[nH]n2)[C@@H](C)C1 ZINC000807996888 586456506 /nfs/dbraw/zinc/45/65/06/586456506.db2.gz LZXSGYSNVLERAV-QMMMGPOBSA-N 1 0 222.296 0.934 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(=O)N(C)OC)[C@H]1CCCO1 ZINC000808748397 586487214 /nfs/dbraw/zinc/48/72/14/586487214.db2.gz NIQCYYZYLACVCJ-GHMZBOCLSA-N 1 0 240.303 0.167 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)C[C@@](C)(O)C(=O)OC ZINC000808754598 586489162 /nfs/dbraw/zinc/48/91/62/586489162.db2.gz OZLOFPUZIKOXNW-LLVKDONJSA-N 1 0 213.277 0.254 20 30 BCEDRO CC(C)C[NH+]1CCN(C[C@H](O)CC#N)CC1 ZINC000809570004 586506880 /nfs/dbraw/zinc/50/68/80/586506880.db2.gz ICJYTSCGVMQYAM-GFCCVEGCSA-N 1 0 225.336 0.535 20 30 BCEDRO CON=CC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000809671848 586511395 /nfs/dbraw/zinc/51/13/95/586511395.db2.gz CLLCWDCCRZJKOA-NSHDSACASA-N 1 0 239.319 0.705 20 30 BCEDRO CON=CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000809706641 586513821 /nfs/dbraw/zinc/51/38/21/586513821.db2.gz GLCKFVSDTFCNAG-SNVBAGLBSA-N 1 0 245.348 0.172 20 30 BCEDRO CCC[N@H+](CC)CCNC(=O)C=NOC ZINC000809705104 586513995 /nfs/dbraw/zinc/51/39/95/586513995.db2.gz NOIDWTNVFYXCNW-UHFFFAOYSA-N 1 0 215.297 0.467 20 30 BCEDRO CC[N@@H+]1CCN(C(=O)C=NOC)C[C@H]1C ZINC000809734269 586515212 /nfs/dbraw/zinc/51/52/12/586515212.db2.gz CCZMIPKOYQVGEJ-SECBINFHSA-N 1 0 213.281 0.171 20 30 BCEDRO CON=CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000809797885 586520711 /nfs/dbraw/zinc/52/07/11/586520711.db2.gz FZDHMYQBRVUWER-JTQLQIEISA-N 1 0 227.308 0.561 20 30 BCEDRO CON=CC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000809800997 586521064 /nfs/dbraw/zinc/52/10/64/586521064.db2.gz JHJXLCHQNDRMIT-JTQLQIEISA-N 1 0 241.335 0.855 20 30 BCEDRO CON=CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000809799318 586521117 /nfs/dbraw/zinc/52/11/17/586521117.db2.gz KVNBGBNMQDXCCH-UHFFFAOYSA-N 1 0 239.319 0.609 20 30 BCEDRO CCCC[N@H+](C)C[C@@H](C)NC(=O)C=NOC ZINC000811601719 586562085 /nfs/dbraw/zinc/56/20/85/586562085.db2.gz ZZOUHUWGLNYHDL-SNVBAGLBSA-N 1 0 229.324 0.855 20 30 BCEDRO COCCN(C)[NH+]=Cc1cnc(N(C)C)n1C ZINC000811648837 586562851 /nfs/dbraw/zinc/56/28/51/586562851.db2.gz ZUIMXJKVSBLNKF-UHFFFAOYSA-N 1 0 239.323 0.398 20 30 BCEDRO CON=CC(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000812332081 586574122 /nfs/dbraw/zinc/57/41/22/586574122.db2.gz YYUNLJSZJLYJPU-VHSXEESVSA-N 1 0 225.292 0.029 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccc(C#N)cn1 ZINC000813707651 586605591 /nfs/dbraw/zinc/60/55/91/586605591.db2.gz CAEKXMPWDFUZEZ-UHFFFAOYSA-N 1 0 244.298 0.687 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCc1cnccc1OC ZINC000814321384 586621313 /nfs/dbraw/zinc/62/13/13/586621313.db2.gz KMVRTIVWQHHFFC-SECBINFHSA-N 1 0 233.271 0.911 20 30 BCEDRO CC(C)(C)OC(=O)NC1CC(N=NC(N)=[NH2+])C1 ZINC000814796460 586634670 /nfs/dbraw/zinc/63/46/70/586634670.db2.gz FAJCFHSPZYWLEU-UHFFFAOYSA-N 1 0 241.295 0.513 20 30 BCEDRO Cc1c[nH]nc1C=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000814885945 586643054 /nfs/dbraw/zinc/64/30/54/586643054.db2.gz NSEINMJEQWUHOS-AOOOYVTPSA-N 1 0 246.318 0.912 20 30 BCEDRO Cn1ccc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)n1 ZINC000814885759 586643095 /nfs/dbraw/zinc/64/30/95/586643095.db2.gz JERCJMYRTMWQDO-QWRGUYRKSA-N 1 0 246.318 0.614 20 30 BCEDRO CCc1nocc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000814897328 586645157 /nfs/dbraw/zinc/64/51/57/586645157.db2.gz HRCSSXGWSICZMA-SSDOTTSWSA-N 1 0 221.264 0.508 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2nc(C#N)cs2)N1 ZINC000814897196 586645167 /nfs/dbraw/zinc/64/51/67/586645167.db2.gz GVNRIMNWJPWUAA-LURJTMIESA-N 1 0 234.288 0.286 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCCSC2)=[NH+]1 ZINC000814897209 586645208 /nfs/dbraw/zinc/64/52/08/586645208.db2.gz GXHQMZPGQMCHHM-SSDOTTSWSA-N 1 0 212.322 0.807 20 30 BCEDRO C[N@H+](CCOCCC#N)[C@H]1CCCCNC1=O ZINC000815037665 586664642 /nfs/dbraw/zinc/66/46/42/586664642.db2.gz RSPKQDWBENKYLP-NSHDSACASA-N 1 0 239.319 0.517 20 30 BCEDRO C=CCOCCN1CC[NH+](CCCCO)CC1 ZINC000815071448 586665104 /nfs/dbraw/zinc/66/51/04/586665104.db2.gz VGYHSMWEMBQTRH-UHFFFAOYSA-N 1 0 242.363 0.579 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCOC[C@@H](C)C1 ZINC000815075994 586665351 /nfs/dbraw/zinc/66/53/51/586665351.db2.gz RRIBAMASBXZZCV-NSHDSACASA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](OC)CC1 ZINC000815092316 586665874 /nfs/dbraw/zinc/66/58/74/586665874.db2.gz YXLDJBYDQYOBSK-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCOCC[C@H]1C ZINC000815085572 586665892 /nfs/dbraw/zinc/66/58/92/586665892.db2.gz ZUYVIHCUNPZIIX-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCNC(=O)CN1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000815144494 586669249 /nfs/dbraw/zinc/66/92/49/586669249.db2.gz DZXHAVQBVIGPSD-CQSZACIVSA-N 1 0 249.358 0.154 20 30 BCEDRO COCC#CC[NH+]1CCC2(CC1)OCCCO2 ZINC000815156645 586670788 /nfs/dbraw/zinc/67/07/88/586670788.db2.gz BDCVMSQQQMCWGB-UHFFFAOYSA-N 1 0 239.315 0.865 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000815250853 586675806 /nfs/dbraw/zinc/67/58/06/586675806.db2.gz WORITAACOOWUSP-LBPRGKRZSA-N 1 0 238.331 0.123 20 30 BCEDRO C#CCCCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000816531403 586739022 /nfs/dbraw/zinc/73/90/22/586739022.db2.gz QGVNBJTTXSDBKK-ZDUSSCGKSA-N 1 0 249.358 0.296 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)C[NH+]1CCC(C)CC1 ZINC000816672532 586754248 /nfs/dbraw/zinc/75/42/48/586754248.db2.gz CKGXKVFTXDZAMT-LBPRGKRZSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2C[C@@H]21 ZINC000816896814 586769861 /nfs/dbraw/zinc/76/98/61/586769861.db2.gz SMFXJYHUGMAWRH-VHSXEESVSA-N 1 0 210.277 0.104 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(C)(C)COC ZINC000816982330 586778461 /nfs/dbraw/zinc/77/84/61/586778461.db2.gz XTQFLASZLQAIPZ-UHFFFAOYSA-N 1 0 228.336 0.893 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817165640 586784783 /nfs/dbraw/zinc/78/47/83/586784783.db2.gz OGCLTFVKIMNKFG-WDEREUQCSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N1CC(C#N)C1 ZINC000817553532 586811029 /nfs/dbraw/zinc/81/10/29/586811029.db2.gz FFTUNHWQJKRZGD-NSHDSACASA-N 1 0 217.272 0.066 20 30 BCEDRO CON=CC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817677857 586817312 /nfs/dbraw/zinc/81/73/12/586817312.db2.gz IBBGFWVNLNIYTB-SECBINFHSA-N 1 0 213.281 0.171 20 30 BCEDRO CC#CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000818178163 586879022 /nfs/dbraw/zinc/87/90/22/586879022.db2.gz QQOKDZIOIIAMEB-ZDUSSCGKSA-N 1 0 220.316 0.954 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnn(CC)n1 ZINC000818224976 586880776 /nfs/dbraw/zinc/88/07/76/586880776.db2.gz UVJRWVPVIDZRNK-JQWIXIFHSA-N 1 0 236.319 0.979 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H](O)C(C)(C)C ZINC000818589106 586904265 /nfs/dbraw/zinc/90/42/65/586904265.db2.gz QUDHRQSFBCTDLT-NSHDSACASA-N 1 0 240.347 0.465 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)/C=C/SC ZINC000818612337 586906390 /nfs/dbraw/zinc/90/63/90/586906390.db2.gz WSACEKPEVFDKCF-UXBLZVDNSA-N 1 0 226.345 0.934 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](CC)CO ZINC000818615594 586906552 /nfs/dbraw/zinc/90/65/52/586906552.db2.gz SFSOZIQZKWMART-LLVKDONJSA-N 1 0 226.320 0.076 20 30 BCEDRO C#CCNC(=S)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000819028961 586925631 /nfs/dbraw/zinc/92/56/31/586925631.db2.gz GVQCVJOAJBSJJS-WDEREUQCSA-N 1 0 237.372 0.520 20 30 BCEDRO C#CCSCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000819092873 586929990 /nfs/dbraw/zinc/92/99/90/586929990.db2.gz GLTDAVXFRUREFU-SECBINFHSA-N 1 0 235.374 0.376 20 30 BCEDRO C#CCCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000819116802 586931433 /nfs/dbraw/zinc/93/14/33/586931433.db2.gz ZOLJDRGERZGPIY-GFCCVEGCSA-N 1 0 241.331 0.546 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOC1CCC1 ZINC000819121690 586931886 /nfs/dbraw/zinc/93/18/86/586931886.db2.gz YNGSMYRZFUCTRC-UHFFFAOYSA-N 1 0 224.304 0.285 20 30 BCEDRO C=CCCOCC[NH2+]CCC(=O)N(C)OC ZINC000819188146 586936496 /nfs/dbraw/zinc/93/64/96/586936496.db2.gz CQVFNNRGFBADJI-UHFFFAOYSA-N 1 0 230.308 0.579 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)CCOCC ZINC000819231383 586940941 /nfs/dbraw/zinc/94/09/41/586940941.db2.gz UZNWJYHIUWPOOG-LLVKDONJSA-N 1 0 215.293 0.013 20 30 BCEDRO C#CCOCC[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000819230855 586941194 /nfs/dbraw/zinc/94/11/94/586941194.db2.gz MNWPPUOTPFXTJW-MRVPVSSYSA-N 1 0 225.210 0.539 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC(OCC)C1 ZINC000819273260 586946043 /nfs/dbraw/zinc/94/60/43/586946043.db2.gz AKSYTEPBVRTGGR-UHFFFAOYSA-N 1 0 212.293 0.352 20 30 BCEDRO CCOC[C@@H](O)C[NH2+]Cc1ccc(C#N)cn1 ZINC000819310494 586950243 /nfs/dbraw/zinc/95/02/43/586950243.db2.gz BEYPZYXAFWOTTM-LBPRGKRZSA-N 1 0 235.287 0.440 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCS(C)(=O)=O ZINC000819351085 586955956 /nfs/dbraw/zinc/95/59/56/586955956.db2.gz UHDDHHJVBFDSIP-ZJUUUORDSA-N 1 0 233.333 0.354 20 30 BCEDRO C=CCn1cc(C[NH2+]C[C@@H](O)C2CC2)nn1 ZINC000819381310 586959842 /nfs/dbraw/zinc/95/98/42/586959842.db2.gz AGIKYUZLHYUPMZ-LLVKDONJSA-N 1 0 222.292 0.325 20 30 BCEDRO Cn1ccnc1N=NC1CC[NH+](CCO)CC1 ZINC000819809888 586996719 /nfs/dbraw/zinc/99/67/19/586996719.db2.gz QTUMVZMHBMNHTI-UHFFFAOYSA-N 1 0 237.307 0.276 20 30 BCEDRO OCC[NH+]1CCC(=NN[C@@H]2CCSC2)CC1 ZINC000819812391 586997232 /nfs/dbraw/zinc/99/72/32/586997232.db2.gz CBQGPYWNMVJOBL-LLVKDONJSA-N 1 0 243.376 0.526 20 30 BCEDRO C=C(C)CNN=C1CC[NH+](CCO)CC1 ZINC000819812631 586997482 /nfs/dbraw/zinc/99/74/82/586997482.db2.gz FPBDQFZPIMPFBV-UHFFFAOYSA-N 1 0 211.309 0.596 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860131507 589081604 /nfs/dbraw/zinc/08/16/04/589081604.db2.gz MQGSNJYVJGFSNR-NNYUYHANSA-N 1 0 224.304 0.760 20 30 BCEDRO C#C[C@H](C)NC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000820394703 587045733 /nfs/dbraw/zinc/04/57/33/587045733.db2.gz NTPRVVQQKNXWRZ-QWRGUYRKSA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000820436348 587049188 /nfs/dbraw/zinc/04/91/88/587049188.db2.gz VSUUSDRMLWURFB-VXGBXAGGSA-N 1 0 235.331 0.888 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@](C)(O)CC ZINC000820681575 587066414 /nfs/dbraw/zinc/06/64/14/587066414.db2.gz WNJGPCIOSYHJLE-LBPRGKRZSA-N 1 0 226.320 0.219 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164535 589084614 /nfs/dbraw/zinc/08/46/14/589084614.db2.gz JLEPTYMUZKEHNI-OPRDCNLKSA-N 1 0 211.261 0.028 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166603 589085250 /nfs/dbraw/zinc/08/52/50/589085250.db2.gz OJVXTOBJPISQHK-IVZWLZJFSA-N 1 0 224.260 0.020 20 30 BCEDRO C#CCN(CC#C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000821381279 587114567 /nfs/dbraw/zinc/11/45/67/587114567.db2.gz WVXLDRQNCSZABB-ZDUSSCGKSA-N 1 0 222.332 0.256 20 30 BCEDRO C#CCOCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000821882384 587145469 /nfs/dbraw/zinc/14/54/69/587145469.db2.gz ZIBLGKVQZJFBNA-LLVKDONJSA-N 1 0 224.304 0.094 20 30 BCEDRO CC[C@@H](CC#N)NC(=O)C[NH+]1CCCC1 ZINC000821955943 587147847 /nfs/dbraw/zinc/14/78/47/587147847.db2.gz ZRRAZBZJTUDGHX-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C#C[C@H](NC(=O)C[NH+]1CCCC1)[C@@H]1CCCO1 ZINC000822072849 587150991 /nfs/dbraw/zinc/15/09/91/587150991.db2.gz NHFKYSMEEIWDKY-RYUDHWBXSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CCN(CCOC)C(=O)C[NH+]1CCCC1 ZINC000822392341 587165190 /nfs/dbraw/zinc/16/51/90/587165190.db2.gz ZOXSGJYNXYTERL-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)CC[NH2+]C(C)(C)C ZINC000822484229 587170893 /nfs/dbraw/zinc/17/08/93/587170893.db2.gz JSLGIHGAEXIKEN-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@@H](NC(=O)C[NH+]1CCCC1)C(C)C ZINC000822667317 587180390 /nfs/dbraw/zinc/18/03/90/587180390.db2.gz VGXRRDOPQVFTIJ-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000822761897 587184736 /nfs/dbraw/zinc/18/47/36/587184736.db2.gz FVQSUEXWSXOCBN-MNOVXSKESA-N 1 0 236.315 0.378 20 30 BCEDRO C=CCCc1noc(-c2cn(CCC[NH3+])nn2)n1 ZINC000823263002 587212250 /nfs/dbraw/zinc/21/22/50/587212250.db2.gz BGLAXHVQHSVOSC-UHFFFAOYSA-N 1 0 248.290 0.796 20 30 BCEDRO CC#CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824087881 587254325 /nfs/dbraw/zinc/25/43/25/587254325.db2.gz WPQOIQPCNCSOTM-NXEZZACHSA-N 1 0 208.305 0.855 20 30 BCEDRO CC#CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824087883 587254349 /nfs/dbraw/zinc/25/43/49/587254349.db2.gz WPQOIQPCNCSOTM-VHSXEESVSA-N 1 0 208.305 0.855 20 30 BCEDRO CON=CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824095501 587255268 /nfs/dbraw/zinc/25/52/68/587255268.db2.gz SSGYVFJFWYRAFQ-RKDXNWHRSA-N 1 0 227.308 0.464 20 30 BCEDRO CON=CC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824110687 587256167 /nfs/dbraw/zinc/25/61/67/587256167.db2.gz AKALBEXMSKMKEQ-AOOOYVTPSA-N 1 0 225.292 0.362 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000825080358 587303474 /nfs/dbraw/zinc/30/34/74/587303474.db2.gz NUCDYDNVUIWMIB-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000825168426 587307492 /nfs/dbraw/zinc/30/74/92/587307492.db2.gz XRUVFIZQZTWSFM-VXGBXAGGSA-N 1 0 236.315 0.283 20 30 BCEDRO COCC[N@H+](C)CCNC(=O)C#CC(C)C ZINC000825525339 587323339 /nfs/dbraw/zinc/32/33/39/587323339.db2.gz BUPMXXJFMFDWJN-UHFFFAOYSA-N 1 0 226.320 0.340 20 30 BCEDRO C=C[C@@H](CC)CC(=O)N(C)CC[N@H+](C)CCO ZINC000825528067 587323566 /nfs/dbraw/zinc/32/35/66/587323566.db2.gz WJKISHFLOKTUCW-LBPRGKRZSA-N 1 0 242.363 0.971 20 30 BCEDRO COCCN(CC[NH+](C)C)C(=O)C#CC(C)C ZINC000826560775 587354937 /nfs/dbraw/zinc/35/49/37/587354937.db2.gz XYFCQQZWKQCEBC-UHFFFAOYSA-N 1 0 240.347 0.682 20 30 BCEDRO CC(C)C#CC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000826598256 587356312 /nfs/dbraw/zinc/35/63/12/587356312.db2.gz FBPZPRGCOPVPRT-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000826805439 587362819 /nfs/dbraw/zinc/36/28/19/587362819.db2.gz QYTKGZSXWJNXCM-JTQLQIEISA-N 1 0 224.304 0.235 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(CC[NH+](C)C)C(C)C ZINC000827203243 587372767 /nfs/dbraw/zinc/37/27/67/587372767.db2.gz RWZHAWNWWZMWGW-GFCCVEGCSA-N 1 0 240.347 0.823 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(C(=O)C#CC3CC3)CC[C@@H]21 ZINC000827245069 587373680 /nfs/dbraw/zinc/37/36/80/587373680.db2.gz ICBOIMAPTATEJR-STQMWFEESA-N 1 0 232.327 0.952 20 30 BCEDRO CON=CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827265347 587374663 /nfs/dbraw/zinc/37/46/63/587374663.db2.gz HDTXGLDDOXJYPL-NXEZZACHSA-N 1 0 225.292 0.171 20 30 BCEDRO C#Cc1cnc(NC[C@H](C)[NH+](C)C)nc1 ZINC000827462357 587382027 /nfs/dbraw/zinc/38/20/27/587382027.db2.gz IYAYEVLQFXUCHL-VIFPVBQESA-N 1 0 204.277 0.820 20 30 BCEDRO C#C[C@H]([NH2+]Cc1cn[nH]c1)C1CCOCC1 ZINC000827555279 587387675 /nfs/dbraw/zinc/38/76/75/587387675.db2.gz QXBVMIXOALJXIE-LBPRGKRZSA-N 1 0 219.288 0.928 20 30 BCEDRO C#C[C@H]([NH2+]Cc1cnccn1)C1CCOCC1 ZINC000827558856 587388093 /nfs/dbraw/zinc/38/80/93/587388093.db2.gz AGBMVXZLJXBEEO-ZDUSSCGKSA-N 1 0 231.299 0.995 20 30 BCEDRO CC(C)C#CC(=O)N1CC(n2ccnc2)C1 ZINC000827769603 587400294 /nfs/dbraw/zinc/40/02/94/587400294.db2.gz PTRQJVBWKFRHJV-UHFFFAOYSA-N 1 0 217.272 0.926 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1(n2cccn2)CC1 ZINC000827972304 587413971 /nfs/dbraw/zinc/41/39/71/587413971.db2.gz YSBQXOIIRBUXFR-UHFFFAOYSA-N 1 0 246.314 0.053 20 30 BCEDRO C#C[C@H]([NH2+]CC[S@@](C)=O)[C@@H]1CCCO1 ZINC000828306917 587433369 /nfs/dbraw/zinc/43/33/69/587433369.db2.gz KDAULUNMKSCSLH-PKFCDNJMSA-N 1 0 215.318 0.135 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC[S@@](C)=O ZINC000828597094 587453061 /nfs/dbraw/zinc/45/30/61/587453061.db2.gz LLTFDXZWRUKGLC-VYUIOLGVSA-N 1 0 203.307 0.298 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1COCCO1)[C@@H]1CCCO1 ZINC000828954267 587474444 /nfs/dbraw/zinc/47/44/44/587474444.db2.gz RFEDNHXSIRHJTR-SRVKXCTJSA-N 1 0 225.288 0.172 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000829706090 587510780 /nfs/dbraw/zinc/51/07/80/587510780.db2.gz YRSARFISLZVBPX-AXFHLTTASA-N 1 0 226.320 0.522 20 30 BCEDRO C=C[C@H](CC)CC(=O)NCC[N@H+](C)CCO ZINC000829749097 587513642 /nfs/dbraw/zinc/51/36/42/587513642.db2.gz COTFAOIUOLXBLK-LLVKDONJSA-N 1 0 228.336 0.629 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000829783990 587515544 /nfs/dbraw/zinc/51/55/44/587515544.db2.gz CXNFIENNRDGPQN-RYUDHWBXSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC000829785011 587516264 /nfs/dbraw/zinc/51/62/64/587516264.db2.gz PCJVZMMFYLBWKR-NWDGAFQWSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CCOCCO)C1 ZINC000829785262 587516458 /nfs/dbraw/zinc/51/64/58/587516458.db2.gz SYDXKCQCOBJOBV-GFCCVEGCSA-N 1 0 211.305 0.731 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)N(C)OC)C1 ZINC000829809869 587518825 /nfs/dbraw/zinc/51/88/25/587518825.db2.gz JHYYTAYXESQGMX-LLVKDONJSA-N 1 0 224.304 0.742 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1CCO ZINC000829993876 587531245 /nfs/dbraw/zinc/53/12/45/587531245.db2.gz OIDCLJWDPXCFAB-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CCOC2)CC1 ZINC000830162608 587539873 /nfs/dbraw/zinc/53/98/73/587539873.db2.gz MFHCIXUQSHKJOF-LLVKDONJSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC1CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000830301765 587545514 /nfs/dbraw/zinc/54/55/14/587545514.db2.gz VETBQVHLWWDJBW-SNVBAGLBSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CC1CC[NH+](CC2(CO)COC2)CC1 ZINC000830330347 587546229 /nfs/dbraw/zinc/54/62/29/587546229.db2.gz WDGAEQMUFMFDFU-UHFFFAOYSA-N 1 0 209.289 0.341 20 30 BCEDRO C#CC1CC[NH+](CCOCCOC)CC1 ZINC000830330160 587546485 /nfs/dbraw/zinc/54/64/85/587546485.db2.gz RVHRJEUYOJANQF-UHFFFAOYSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CC1CC[NH+](CCN2C(=O)N[C@@H](C)C2=O)CC1 ZINC000830350633 587546901 /nfs/dbraw/zinc/54/69/01/587546901.db2.gz FAMTZYMNVOTPRH-JTQLQIEISA-N 1 0 249.314 0.272 20 30 BCEDRO C#C[C@H](CC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000830361340 587547654 /nfs/dbraw/zinc/54/76/54/587547654.db2.gz JIZQIZLAWXLVMM-GMTAPVOTSA-N 1 0 208.305 0.855 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](C)[C@@H]1CO ZINC000830708926 587564948 /nfs/dbraw/zinc/56/49/48/587564948.db2.gz YSQMNCMFCQBTGO-ONGXEEELSA-N 1 0 226.320 0.334 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](O)CC(F)(F)C1 ZINC000830817508 587571974 /nfs/dbraw/zinc/57/19/74/587571974.db2.gz BULVAOAFABQEGC-SECBINFHSA-N 1 0 248.273 0.333 20 30 BCEDRO C#CCC[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC000830907206 587576918 /nfs/dbraw/zinc/57/69/18/587576918.db2.gz ZPUVXDPTRLNMEQ-VHSXEESVSA-N 1 0 208.261 0.440 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830923028 587577685 /nfs/dbraw/zinc/57/76/85/587577685.db2.gz ZHJGYWUUGVSUDW-OUAUKWLOSA-N 1 0 240.303 0.354 20 30 BCEDRO C#CCCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000831080224 587585251 /nfs/dbraw/zinc/58/52/51/587585251.db2.gz UIBLQJLVPDQUIL-NSHDSACASA-N 1 0 209.293 0.451 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000831146977 587587790 /nfs/dbraw/zinc/58/77/90/587587790.db2.gz PGDAGVDJBAOFOF-UWVGGRQHSA-N 1 0 227.308 0.061 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000831146979 587587825 /nfs/dbraw/zinc/58/78/25/587587825.db2.gz PGDAGVDJBAOFOF-ZJUUUORDSA-N 1 0 227.308 0.061 20 30 BCEDRO C#CCCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000831151659 587587959 /nfs/dbraw/zinc/58/79/59/587587959.db2.gz ZVOLWSVMJKKYMZ-NXEZZACHSA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831186704 587590463 /nfs/dbraw/zinc/59/04/63/587590463.db2.gz RJYRUCBLIODBGI-QWRGUYRKSA-N 1 0 235.331 0.792 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)NCc1ccc(CC#N)cc1 ZINC000831190935 587590709 /nfs/dbraw/zinc/59/07/09/587590709.db2.gz CFORLERWISTCLS-JTQLQIEISA-N 1 0 246.314 0.899 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831194386 587590828 /nfs/dbraw/zinc/59/08/28/587590828.db2.gz YWAMBXFPCWGDQJ-VHSXEESVSA-N 1 0 221.304 0.449 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000831192823 587590841 /nfs/dbraw/zinc/59/08/41/587590841.db2.gz AJGPYGHLIFFROI-LBPRGKRZSA-N 1 0 247.342 0.936 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000831280085 587595311 /nfs/dbraw/zinc/59/53/11/587595311.db2.gz DCHCFGLUOATPAU-SDDRHHMPSA-N 1 0 236.315 0.045 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@](C)(OC)C1(C)C ZINC000831340008 587599637 /nfs/dbraw/zinc/59/96/37/587599637.db2.gz ZJCHAGXWERUZHI-GWCFXTLKSA-N 1 0 238.331 0.529 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000831386806 587602401 /nfs/dbraw/zinc/60/24/01/587602401.db2.gz QUHDZLBIPCABJA-WCQGTBRESA-N 1 0 238.331 0.385 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000831386804 587602483 /nfs/dbraw/zinc/60/24/83/587602483.db2.gz QUHDZLBIPCABJA-JLLWLGSASA-N 1 0 238.331 0.385 20 30 BCEDRO C=CCOCC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000831751324 587629911 /nfs/dbraw/zinc/62/99/11/587629911.db2.gz ISCXFGFVXPVUQS-LLVKDONJSA-N 1 0 244.335 0.272 20 30 BCEDRO CCO[C@H](CNC(=O)C(C)(C)C#N)C[NH+](C)C ZINC000831756193 587630116 /nfs/dbraw/zinc/63/01/16/587630116.db2.gz CWYZENGGEZGLDN-SNVBAGLBSA-N 1 0 241.335 0.619 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000831754324 587630493 /nfs/dbraw/zinc/63/04/93/587630493.db2.gz ZIOIVTAPKMFVBE-JBLDHEPKSA-N 1 0 242.294 0.395 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)OC ZINC000831834631 587633675 /nfs/dbraw/zinc/63/36/75/587633675.db2.gz JBTCNTPFBFDWPA-ZJUUUORDSA-N 1 0 228.292 0.329 20 30 BCEDRO C#CCCN1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000831997909 587642121 /nfs/dbraw/zinc/64/21/21/587642121.db2.gz LWAVWKJQIPCLQY-UHFFFAOYSA-N 1 0 233.271 0.578 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000832186714 587649081 /nfs/dbraw/zinc/64/90/81/587649081.db2.gz FSIXWCAXNZIVOZ-NWDGAFQWSA-N 1 0 240.347 0.870 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000832208050 587649956 /nfs/dbraw/zinc/64/99/56/587649956.db2.gz XZTWWCOFFCSNNO-LLVKDONJSA-N 1 0 224.304 0.302 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](C(F)F)C1 ZINC000832211932 587650799 /nfs/dbraw/zinc/65/07/99/587650799.db2.gz JETAIFFOVSBVPX-SECBINFHSA-N 1 0 248.273 0.597 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000832452683 587660961 /nfs/dbraw/zinc/66/09/61/587660961.db2.gz SAMQBVKZGMHDQI-LLVKDONJSA-N 1 0 226.320 0.776 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](COC)CC1 ZINC000832738687 587681508 /nfs/dbraw/zinc/68/15/08/587681508.db2.gz KGYDWZLRJFSJNP-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCNC(=O)CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000832778922 587688666 /nfs/dbraw/zinc/68/86/66/587688666.db2.gz QSEZECWYWVUJFJ-GFCCVEGCSA-N 1 0 237.347 0.150 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](CO)[C@H]1CC ZINC000834094787 587745309 /nfs/dbraw/zinc/74/53/09/587745309.db2.gz SENWADFTVYRQHQ-VXGBXAGGSA-N 1 0 240.347 0.724 20 30 BCEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)C(F)(F)F ZINC000834479576 587755731 /nfs/dbraw/zinc/75/57/31/587755731.db2.gz GGCMCORXDUXTSZ-FSDSQADBSA-N 1 0 235.209 0.413 20 30 BCEDRO Cc1cscc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834479939 587756013 /nfs/dbraw/zinc/75/60/13/587756013.db2.gz JQGVKUYNERMKRH-SCZZXKLOSA-N 1 0 235.312 0.898 20 30 BCEDRO C=CCOCCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834480237 587756082 /nfs/dbraw/zinc/75/60/82/587756082.db2.gz NBSXFIACXIFOHP-WDEREUQCSA-N 1 0 237.303 0.197 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(F)c1 ZINC000834479218 587756100 /nfs/dbraw/zinc/75/61/00/587756100.db2.gz BFAVLCOLWGCAEZ-CABZTGNLSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC000834479956 587756134 /nfs/dbraw/zinc/75/61/34/587756134.db2.gz JWFXRZDJUYGJSH-OUAUKWLOSA-N 1 0 233.315 0.794 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC12CCCC2 ZINC000834479957 587756186 /nfs/dbraw/zinc/75/61/86/587756186.db2.gz JWFXRZDJUYGJSH-VWYCJHECSA-N 1 0 233.315 0.794 20 30 BCEDRO CCCc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)[nH]n1 ZINC000834479528 587756206 /nfs/dbraw/zinc/75/62/06/587756206.db2.gz FKSOEMWNMXRVDI-LDYMZIIASA-N 1 0 247.302 0.204 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H]1CCCCO1 ZINC000834479557 587756209 /nfs/dbraw/zinc/75/62/09/587756209.db2.gz FWERCQSDWISOHE-OUAUKWLOSA-N 1 0 237.303 0.173 20 30 BCEDRO Cc1nc(C)c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)o1 ZINC000834479250 587756229 /nfs/dbraw/zinc/75/62/29/587756229.db2.gz BOBRMHUDUFEIHH-DTWKUNHWSA-N 1 0 234.259 0.133 20 30 BCEDRO Cc1nc(C)c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)o1 ZINC000834479249 587756231 /nfs/dbraw/zinc/75/62/31/587756231.db2.gz BOBRMHUDUFEIHH-BDAKNGLRSA-N 1 0 234.259 0.133 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@H]1CCCCO1 ZINC000834479556 587756271 /nfs/dbraw/zinc/75/62/71/587756271.db2.gz FWERCQSDWISOHE-MXWKQRLJSA-N 1 0 237.303 0.173 20 30 BCEDRO C=CCC(CC=C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834479360 587756283 /nfs/dbraw/zinc/75/62/83/587756283.db2.gz DJFMJCWMPKVWAO-VXGBXAGGSA-N 1 0 233.315 0.983 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C(C1CC1)C1CC1 ZINC000834480796 587756379 /nfs/dbraw/zinc/75/63/79/587756379.db2.gz WFTGLVQWPLASPM-QWRGUYRKSA-N 1 0 233.315 0.650 20 30 BCEDRO Cc1cc(F)cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834480457 587756411 /nfs/dbraw/zinc/75/64/11/587756411.db2.gz QGPRUJSSWCCXEI-CMPLNLGQSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C(C1CC1)C1CC1 ZINC000834480797 587756462 /nfs/dbraw/zinc/75/64/62/587756462.db2.gz WFTGLVQWPLASPM-WDEREUQCSA-N 1 0 233.315 0.650 20 30 BCEDRO Cc1ccc(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834490328 587756970 /nfs/dbraw/zinc/75/69/70/587756970.db2.gz UEYZCRNKVOYQIY-NEPJUHHUSA-N 1 0 244.298 0.160 20 30 BCEDRO CC(C)c1ocnc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834489182 587757247 /nfs/dbraw/zinc/75/72/47/587757247.db2.gz KHGCUHKMATYWTH-RKDXNWHRSA-N 1 0 248.286 0.639 20 30 BCEDRO CC(C)c1ocnc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834489180 587757271 /nfs/dbraw/zinc/75/72/71/587757271.db2.gz KHGCUHKMATYWTH-DTWKUNHWSA-N 1 0 248.286 0.639 20 30 BCEDRO C[C@H](CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N)C1CC1 ZINC000834495426 587757293 /nfs/dbraw/zinc/75/72/93/587757293.db2.gz VMHHAAKSQSRSMT-IEBDPFPHSA-N 1 0 221.304 0.650 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCc1ccccn1 ZINC000834494957 587757382 /nfs/dbraw/zinc/75/73/82/587757382.db2.gz RKGIAHHRCGJVAM-CMPLNLGQSA-N 1 0 244.298 0.242 20 30 BCEDRO Cc1ccc(F)c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834495819 587757408 /nfs/dbraw/zinc/75/74/08/587757408.db2.gz ZWOKMYNGHUGWDX-SKDRFNHKSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1c[nH]nc1C1CC1 ZINC000834499140 587757432 /nfs/dbraw/zinc/75/74/32/587757432.db2.gz FDGVKEBPXOQYQB-WPRPVWTQSA-N 1 0 245.286 0.128 20 30 BCEDRO C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)C1CC1 ZINC000834495425 587757570 /nfs/dbraw/zinc/75/75/70/587757570.db2.gz VMHHAAKSQSRSMT-FBIMIBRVSA-N 1 0 221.304 0.650 20 30 BCEDRO CC[C@H](C)[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834501136 587757681 /nfs/dbraw/zinc/75/76/81/587757681.db2.gz ZMUSCMUNXOJWKX-NAKRPEOUSA-N 1 0 223.320 0.896 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(F)cc1 ZINC000834505731 587757775 /nfs/dbraw/zinc/75/77/75/587757775.db2.gz NHFYMKFFYKOLNU-GXSJLCMTSA-N 1 0 233.246 0.667 20 30 BCEDRO CC(C)OCCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834500659 587757834 /nfs/dbraw/zinc/75/78/34/587757834.db2.gz VRJXDXXQYYCTNX-MNOVXSKESA-N 1 0 239.319 0.419 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(F)cn1 ZINC000834499832 587757839 /nfs/dbraw/zinc/75/78/39/587757839.db2.gz NGXFOOLLHXKLNB-XVKPBYJWSA-N 1 0 234.234 0.062 20 30 BCEDRO CCc1noc(C)c1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834500592 587757899 /nfs/dbraw/zinc/75/78/99/587757899.db2.gz UZCARSWIKVGPLE-PSASIEDQSA-N 1 0 248.286 0.387 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)COc1ccccc1 ZINC000834505371 587757905 /nfs/dbraw/zinc/75/79/05/587757905.db2.gz KDSXSAZJSSUTHB-CMPLNLGQSA-N 1 0 245.282 0.293 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(F)cc1 ZINC000834505733 587757959 /nfs/dbraw/zinc/75/79/59/587757959.db2.gz NHFYMKFFYKOLNU-MWLCHTKSSA-N 1 0 233.246 0.667 20 30 BCEDRO CCO[C@H](CC)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834500161 587758007 /nfs/dbraw/zinc/75/80/07/587758007.db2.gz QOFFOHVFGQQFIN-IVZWLZJFSA-N 1 0 225.292 0.029 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(F)cn1 ZINC000834499829 587758033 /nfs/dbraw/zinc/75/80/33/587758033.db2.gz NGXFOOLLHXKLNB-GMSGAONNSA-N 1 0 234.234 0.062 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccc1 ZINC000834506278 587758054 /nfs/dbraw/zinc/75/80/54/587758054.db2.gz RMIDSDUKFMEQNP-QWRGUYRKSA-N 1 0 215.256 0.528 20 30 BCEDRO Cc1ccc(O)c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834506209 587758246 /nfs/dbraw/zinc/75/82/46/587758246.db2.gz QSICHWGBIWHEQE-KOLCDFICSA-N 1 0 245.282 0.542 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1cccnc1 ZINC000834511484 587758251 /nfs/dbraw/zinc/75/82/51/587758251.db2.gz LMJNDBIALSXDEF-VXGBXAGGSA-N 1 0 244.298 0.242 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1CC2(CCC2)C1 ZINC000834506227 587758267 /nfs/dbraw/zinc/75/82/67/587758267.db2.gz QXAOTMRHRITZGY-WDEREUQCSA-N 1 0 233.315 0.794 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1CC2(CCC2)C1 ZINC000834506226 587758318 /nfs/dbraw/zinc/75/83/18/587758318.db2.gz QXAOTMRHRITZGY-QWRGUYRKSA-N 1 0 233.315 0.794 20 30 BCEDRO Cc1ccc(F)cc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834517112 587758588 /nfs/dbraw/zinc/75/85/88/587758588.db2.gz QJJXWDOBIUYJHQ-CABZTGNLSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(C2CC2)n[nH]1 ZINC000834515782 587758618 /nfs/dbraw/zinc/75/86/18/587758618.db2.gz BQTADDMMMCWOIF-KCJUWKMLSA-N 1 0 245.286 0.128 20 30 BCEDRO Cc1ccccc1CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834512498 587758704 /nfs/dbraw/zinc/75/87/04/587758704.db2.gz XYWZKEWHAGKEDB-CHWSQXEVSA-N 1 0 243.310 0.765 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000834846377 587768449 /nfs/dbraw/zinc/76/84/49/587768449.db2.gz URHWVBJEFYOUSM-VIFPVBQESA-N 1 0 248.273 0.693 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NC1CC=CC1 ZINC000836361164 587831481 /nfs/dbraw/zinc/83/14/81/587831481.db2.gz GHHXLFPYSHFYBH-UHFFFAOYSA-N 1 0 235.331 0.959 20 30 BCEDRO C#C[C@H](CCC)NS(=O)(=O)CCC[NH+](C)C ZINC000867198413 587843238 /nfs/dbraw/zinc/84/32/38/587843238.db2.gz KAAYLNKMJZPLLF-LLVKDONJSA-N 1 0 246.376 0.659 20 30 BCEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)C=NOC ZINC000836950489 587843561 /nfs/dbraw/zinc/84/35/61/587843561.db2.gz ZLOZWIPKUZTCFJ-SNVBAGLBSA-N 1 0 227.308 0.561 20 30 BCEDRO C#C[C@H](NS(=O)(=O)CCC[NH+](C)C)C(C)C ZINC000867224416 587861055 /nfs/dbraw/zinc/86/10/55/587861055.db2.gz NTUWLJSRKSELGM-NSHDSACASA-N 1 0 246.376 0.515 20 30 BCEDRO CC[NH+](CC)CCNC(=O)C#CC1CC1 ZINC000837306065 587864610 /nfs/dbraw/zinc/86/46/10/587864610.db2.gz VJTPMMGWVGUTMS-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C[C@@H](CNC(=O)C#CC1CC1)C[NH+](C)C ZINC000837664378 587888830 /nfs/dbraw/zinc/88/88/30/587888830.db2.gz NJTBTXPLWCDYJR-JTQLQIEISA-N 1 0 208.305 0.714 20 30 BCEDRO C#CC[C@@H](NC(=O)[C@H](CC)[NH+](C)C)C(=O)OC ZINC000837945046 587904291 /nfs/dbraw/zinc/90/42/91/587904291.db2.gz WFZBOGDMFKGWLM-ZJUUUORDSA-N 1 0 240.303 0.008 20 30 BCEDRO C#CC[C@H](NC(=O)C[NH+](CC)CC)C(=O)OC ZINC000837939843 587904487 /nfs/dbraw/zinc/90/44/87/587904487.db2.gz QEBAXCZCIMZUCE-JTQLQIEISA-N 1 0 240.303 0.009 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000841448344 587954894 /nfs/dbraw/zinc/95/48/94/587954894.db2.gz FZSBZLDFTKSWOJ-GMXVVIOVSA-N 1 0 236.315 0.114 20 30 BCEDRO C#Cc1ccc(C(=O)NCC2([NH+](C)C)CC2)nc1 ZINC000841453848 587955226 /nfs/dbraw/zinc/95/52/26/587955226.db2.gz XLKXJDBHPJCPFP-UHFFFAOYSA-N 1 0 243.310 0.887 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@H]1CC1(F)F ZINC000841632844 587962939 /nfs/dbraw/zinc/96/29/39/587962939.db2.gz HNWXWVAICWWKEU-CAHLUQPWSA-N 1 0 216.235 0.955 20 30 BCEDRO C[C@@H](O)CN(C)[NH+]=Cc1cnccc1N(C)C ZINC000841649527 587966724 /nfs/dbraw/zinc/96/67/24/587966724.db2.gz CRAOFGMDWJEFSH-SNVBAGLBSA-N 1 0 236.319 0.794 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc(C)cc1O ZINC000841658956 587968599 /nfs/dbraw/zinc/96/85/99/587968599.db2.gz KBYZYUVHOVCHGT-UHFFFAOYSA-N 1 0 232.287 0.973 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc(O)c(C)c1 ZINC000841658424 587968801 /nfs/dbraw/zinc/96/88/01/587968801.db2.gz ADNGDTLROBJSJG-UHFFFAOYSA-N 1 0 232.287 0.973 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1cc(F)ccc1O ZINC000841661013 587970306 /nfs/dbraw/zinc/97/03/06/587970306.db2.gz IQKQQVZILCHYFV-UHFFFAOYSA-N 1 0 236.250 0.804 20 30 BCEDRO C=C(Br)CNC(=O)NC[C@H](C)[NH3+] ZINC000841746461 587972656 /nfs/dbraw/zinc/97/26/56/587972656.db2.gz ZLQOEAXHRQHOMB-LURJTMIESA-N 1 0 236.113 0.541 20 30 BCEDRO C#CCSCCNC(=O)N1CCC[NH2+]CC1 ZINC000841830443 587976499 /nfs/dbraw/zinc/97/64/99/587976499.db2.gz IONCNQRJWHVCOR-UHFFFAOYSA-N 1 0 241.360 0.358 20 30 BCEDRO C#CCSCCNC(=O)NC[C@H](C)C[NH3+] ZINC000841832309 587976747 /nfs/dbraw/zinc/97/67/47/587976747.db2.gz LWDWHJCQESQCNV-SECBINFHSA-N 1 0 229.349 0.247 20 30 BCEDRO C#CCSCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000841831768 587976868 /nfs/dbraw/zinc/97/68/68/587976868.db2.gz DTKPCUDEVHBKSG-SNVBAGLBSA-N 1 0 243.376 0.650 20 30 BCEDRO C#CCSCCNC(=O)N[C@H](C)CC[NH3+] ZINC000841832918 587976914 /nfs/dbraw/zinc/97/69/14/587976914.db2.gz XTDKEXNRRWJFRF-SECBINFHSA-N 1 0 229.349 0.389 20 30 BCEDRO C#CCCCCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000841861133 587978879 /nfs/dbraw/zinc/97/88/79/587978879.db2.gz SVVNPMNVARYKID-NSHDSACASA-N 1 0 239.319 0.078 20 30 BCEDRO C#CCCCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000841860527 587979073 /nfs/dbraw/zinc/97/90/73/587979073.db2.gz NZDHSQQIBOLWLH-JTQLQIEISA-N 1 0 211.309 0.779 20 30 BCEDRO C#CCOCCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000841876199 587979845 /nfs/dbraw/zinc/97/98/45/587979845.db2.gz UNOVTYIUJNAICW-MNOVXSKESA-N 1 0 239.319 0.028 20 30 BCEDRO C#C[C@@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1CCCO1 ZINC000841881443 587980249 /nfs/dbraw/zinc/98/02/49/587980249.db2.gz RCESMIUQUCGEDK-ZJUUUORDSA-N 1 0 239.319 0.204 20 30 BCEDRO C#C[C@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1CCCO1 ZINC000841882446 587980481 /nfs/dbraw/zinc/98/04/81/587980481.db2.gz ZKSFSPFBUXUVLT-DCAQKATOSA-N 1 0 239.319 0.204 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841885217 587980707 /nfs/dbraw/zinc/98/07/07/587980707.db2.gz HJSPXVQHPHSOIF-MNOVXSKESA-N 1 0 223.320 0.969 20 30 BCEDRO C#CCCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000841885207 587980728 /nfs/dbraw/zinc/98/07/28/587980728.db2.gz HFPKNZMERCTUDI-JTQLQIEISA-N 1 0 209.293 0.451 20 30 BCEDRO C#CCCCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000841884774 587980734 /nfs/dbraw/zinc/98/07/34/587980734.db2.gz FTIIPAIDPCTLIT-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841885215 587981013 /nfs/dbraw/zinc/98/10/13/587981013.db2.gz HJSPXVQHPHSOIF-GHMZBOCLSA-N 1 0 223.320 0.969 20 30 BCEDRO C#CCCCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000841886247 587981326 /nfs/dbraw/zinc/98/13/26/587981326.db2.gz LVRJJRNIBIGZJE-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO C#Cc1ccc(CNC(=O)NCC[NH3+])cc1 ZINC000841908986 587984113 /nfs/dbraw/zinc/98/41/13/587984113.db2.gz ZETLHSMGFWWGKJ-UHFFFAOYSA-N 1 0 217.272 0.426 20 30 BCEDRO C=CCONC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000841912827 587984517 /nfs/dbraw/zinc/98/45/17/587984517.db2.gz AKZFLZOWQQFPSV-BDAKNGLRSA-N 1 0 213.281 0.401 20 30 BCEDRO C=CCONC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841913588 587984693 /nfs/dbraw/zinc/98/46/93/587984693.db2.gz QUEFAXFPHKRCRN-AOOOYVTPSA-N 1 0 225.292 0.640 20 30 BCEDRO C#CCN(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841922285 587985269 /nfs/dbraw/zinc/98/52/69/587985269.db2.gz NHWUYWQJDWQDKE-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCC[NH2+]C1CC1 ZINC000841926626 587985280 /nfs/dbraw/zinc/98/52/80/587985280.db2.gz DRGQDPZVHXFNPK-VIFPVBQESA-N 1 0 209.293 0.402 20 30 BCEDRO C#CCN(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841922286 587985308 /nfs/dbraw/zinc/98/53/08/587985308.db2.gz NHWUYWQJDWQDKE-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841923142 587985462 /nfs/dbraw/zinc/98/54/62/587985462.db2.gz YAXGXHGGGFJDFE-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000841927791 587985674 /nfs/dbraw/zinc/98/56/74/587985674.db2.gz NTVAIEIJWTYVPZ-MNOVXSKESA-N 1 0 223.320 0.697 20 30 BCEDRO C#CCN(C(=O)NCC[NH2+]C1CC1)C1CC1 ZINC000841929176 587985870 /nfs/dbraw/zinc/98/58/70/587985870.db2.gz HETZNZHXHZISMT-UHFFFAOYSA-N 1 0 221.304 0.546 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000841947713 587986403 /nfs/dbraw/zinc/98/64/03/587986403.db2.gz HCQZLSTXNOHCED-WDEREUQCSA-N 1 0 223.320 0.826 20 30 BCEDRO C#CCCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000841951325 587986744 /nfs/dbraw/zinc/98/67/44/587986744.db2.gz MXPAPHFDTHGGAZ-SNVBAGLBSA-N 1 0 211.309 0.682 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000841955030 587986969 /nfs/dbraw/zinc/98/69/69/587986969.db2.gz YDODTJOBIDCQCK-ZJUUUORDSA-N 1 0 211.309 0.681 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCC1C[NH2+]C1 ZINC000841964727 587987147 /nfs/dbraw/zinc/98/71/47/587987147.db2.gz MVCSDZWFXWAIMT-JTQLQIEISA-N 1 0 209.293 0.307 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@H](C)CC[NH3+] ZINC000841967622 587987152 /nfs/dbraw/zinc/98/71/52/587987152.db2.gz OXKSXYFNONPVKD-SSDOTTSWSA-N 1 0 205.689 0.775 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000841972639 587987432 /nfs/dbraw/zinc/98/74/32/587987432.db2.gz JXQZPFHNJRFNBQ-PWSUYJOCSA-N 1 0 223.320 0.697 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841981651 587987526 /nfs/dbraw/zinc/98/75/26/587987526.db2.gz FYTOGWZLSKGSEF-DCAQKATOSA-N 1 0 223.320 0.919 20 30 BCEDRO C#CCCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841985566 587987963 /nfs/dbraw/zinc/98/79/63/587987963.db2.gz JLRRZOCPKLLFEZ-LLVKDONJSA-N 1 0 223.320 0.826 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000841985419 587988095 /nfs/dbraw/zinc/98/80/95/587988095.db2.gz LZUNVWMNSQUWRA-SNVBAGLBSA-N 1 0 221.304 0.617 20 30 BCEDRO C#C[C@H](C)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842007216 587988443 /nfs/dbraw/zinc/98/84/43/587988443.db2.gz WUYSTHHFDXTVHQ-QWRGUYRKSA-N 1 0 223.320 0.840 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@H]([NH3+])CC ZINC000842004505 587988485 /nfs/dbraw/zinc/98/84/85/587988485.db2.gz FOMMMAWSTAZULB-SSDOTTSWSA-N 1 0 205.689 0.775 20 30 BCEDRO C#CC[C@H]1NC(=O)N(C[C@@H](C)[N@H+](C)C2CC2)C1=O ZINC000842240633 588008488 /nfs/dbraw/zinc/00/84/88/588008488.db2.gz UDEDCDAVFSJAKS-MWLCHTKSSA-N 1 0 249.314 0.413 20 30 BCEDRO Cn1ncnc1C=NNCC[NH+]1CCCCC1 ZINC000842524059 588033050 /nfs/dbraw/zinc/03/30/50/588033050.db2.gz ITIYLORVBVSQBQ-UHFFFAOYSA-N 1 0 236.323 0.225 20 30 BCEDRO CC(C)Cn1nccc1C=NNC1=[NH+]CCN1 ZINC000842535388 588035711 /nfs/dbraw/zinc/03/57/11/588035711.db2.gz GCFJYHXHKGZFLN-UHFFFAOYSA-N 1 0 234.307 0.422 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)CSC ZINC000843101753 588077738 /nfs/dbraw/zinc/07/77/38/588077738.db2.gz QTTIKSMLPSHKCX-VHSXEESVSA-N 1 0 217.334 0.074 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000843075861 588079690 /nfs/dbraw/zinc/07/96/90/588079690.db2.gz BCGYYQVUDVZFOC-CABCVRRESA-N 1 0 247.338 0.954 20 30 BCEDRO C=CCn1cc(-c2nc(CC[NH3+])no2)nn1 ZINC000843131909 588085375 /nfs/dbraw/zinc/08/53/75/588085375.db2.gz DMUNNJDDEBINHY-UHFFFAOYSA-N 1 0 220.236 0.015 20 30 BCEDRO CON=Cc1ccc(C(=O)NCC[NH3+])cc1 ZINC000843276708 588097188 /nfs/dbraw/zinc/09/71/88/588097188.db2.gz HOUQWZZGTLHZRO-UHFFFAOYSA-N 1 0 221.260 0.355 20 30 BCEDRO C[C@H](O)C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000843402925 588106531 /nfs/dbraw/zinc/10/65/31/588106531.db2.gz RBEMDBUUIWNYLX-VIFPVBQESA-N 1 0 245.286 0.414 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C/C1CCOCC1 ZINC000843459972 588112199 /nfs/dbraw/zinc/11/21/99/588112199.db2.gz JXCLDYMCPRBARF-NUYITTKVSA-N 1 0 249.314 0.197 20 30 BCEDRO COCC1(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000843460309 588112243 /nfs/dbraw/zinc/11/22/43/588112243.db2.gz NORIRDLEZBMREO-UWVGGRQHSA-N 1 0 237.303 0.031 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1cccs1 ZINC000843463370 588112881 /nfs/dbraw/zinc/11/28/81/588112881.db2.gz WGQCBGZODBPIPH-PSASIEDQSA-N 1 0 235.312 0.518 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(C2CC2)on1 ZINC000843463245 588113213 /nfs/dbraw/zinc/11/32/13/588113213.db2.gz VYZFMVNUKAPOHG-WCBMZHEXSA-N 1 0 246.270 0.393 20 30 BCEDRO C#CC1CCN(C(=O)C(=C)C[NH+](C)C)CC1 ZINC000844046790 588157597 /nfs/dbraw/zinc/15/75/97/588157597.db2.gz HUACTEWYHGMXAT-UHFFFAOYSA-N 1 0 220.316 0.976 20 30 BCEDRO CS[C@H](C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000844194808 588172721 /nfs/dbraw/zinc/17/27/21/588172721.db2.gz MHKOYDIUSLWYJO-VGMNWLOBSA-N 1 0 227.333 0.356 20 30 BCEDRO CC[C@H](SC)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000844194838 588172806 /nfs/dbraw/zinc/17/28/06/588172806.db2.gz NMEOFHHTARWYHE-HLTSFMKQSA-N 1 0 227.333 0.356 20 30 BCEDRO CC[C@H](SC)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000844194840 588173090 /nfs/dbraw/zinc/17/30/90/588173090.db2.gz NMEOFHHTARWYHE-YIZRAAEISA-N 1 0 227.333 0.356 20 30 BCEDRO CCC[C@H](C)[C@@H](CO)[NH2+]CC(=O)NCCC#N ZINC000844376497 588186681 /nfs/dbraw/zinc/18/66/81/588186681.db2.gz CWJFLEGMFIQIMD-WDEREUQCSA-N 1 0 241.335 0.403 20 30 BCEDRO COC(=O)CC1([NH2+]CCO[C@H](C)C#N)CC1 ZINC000844387893 588189156 /nfs/dbraw/zinc/18/91/56/588189156.db2.gz XSSZXDRWDCKONZ-SECBINFHSA-N 1 0 226.276 0.600 20 30 BCEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCCC#N ZINC000844405291 588190720 /nfs/dbraw/zinc/19/07/20/588190720.db2.gz MZEXGWWXUVTAKC-GHMZBOCLSA-N 1 0 239.319 0.563 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844463694 588197135 /nfs/dbraw/zinc/19/71/35/588197135.db2.gz SYJZBBMVVCCVLQ-KXUCPTDWSA-N 1 0 242.269 0.970 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844469091 588197940 /nfs/dbraw/zinc/19/79/40/588197940.db2.gz VKBMAZFZOIDXAP-NSHDSACASA-N 1 0 242.269 0.857 20 30 BCEDRO COCC(CC(C)(C)C)N=NC(N)=[NH2+] ZINC000844576954 588204410 /nfs/dbraw/zinc/20/44/10/588204410.db2.gz SFZCKSBBUHWGPR-UHFFFAOYSA-N 1 0 200.286 0.908 20 30 BCEDRO C#CCOCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000867370551 588217505 /nfs/dbraw/zinc/21/75/05/588217505.db2.gz WNISBTWMHUBMHD-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(C)CONC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000845592349 588234416 /nfs/dbraw/zinc/23/44/16/588234416.db2.gz BIEGUQZRYJYLLH-SNVBAGLBSA-N 1 0 227.308 0.888 20 30 BCEDRO C=C(C)CONC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000845602289 588235349 /nfs/dbraw/zinc/23/53/49/588235349.db2.gz YLZYWKTUQPOCQD-LLVKDONJSA-N 1 0 245.323 0.106 20 30 BCEDRO C=C[C@@H](C)ONC(=O)N[C@@H](C)C[NH+](C)C ZINC000845621127 588237091 /nfs/dbraw/zinc/23/70/91/588237091.db2.gz VWVNESGGYFAASG-DTWKUNHWSA-N 1 0 215.297 0.742 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NCC[NH+]1CCC1 ZINC000845628136 588238018 /nfs/dbraw/zinc/23/80/18/588238018.db2.gz LSXJYBZZWNOKLO-SECBINFHSA-N 1 0 213.281 0.497 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NCC[N@H+](C)C1CC1 ZINC000845634038 588238864 /nfs/dbraw/zinc/23/88/64/588238864.db2.gz RTMOZGFCJCGQRH-SECBINFHSA-N 1 0 227.308 0.886 20 30 BCEDRO C=C(C)CONC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000846531651 588270320 /nfs/dbraw/zinc/27/03/20/588270320.db2.gz DAKOUZXKZGRZRE-NXEZZACHSA-N 1 0 212.293 0.951 20 30 BCEDRO C=C1CCN(C(=O)CO[C@@H]2CCC[NH2+]C2)CC1 ZINC000846682858 588282526 /nfs/dbraw/zinc/28/25/26/588282526.db2.gz ATVSDIMCLUBWIA-GFCCVEGCSA-N 1 0 238.331 0.934 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000846702511 588283758 /nfs/dbraw/zinc/28/37/58/588283758.db2.gz IGQIGOZKNHEFGL-NXEZZACHSA-N 1 0 220.272 0.137 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H](CO)C2CC2)nn1 ZINC000846854865 588293355 /nfs/dbraw/zinc/29/33/55/588293355.db2.gz NIHMVDLGSDUDMJ-GFCCVEGCSA-N 1 0 236.319 0.715 20 30 BCEDRO C#C[C@H]([NH2+]CCCC(=O)NC)[C@@H]1CCCO1 ZINC000846861135 588294003 /nfs/dbraw/zinc/29/40/03/588294003.db2.gz OLCTYIZQZWOGNE-QWRGUYRKSA-N 1 0 224.304 0.283 20 30 BCEDRO C=C(CO)C(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC000846990106 588300653 /nfs/dbraw/zinc/30/06/53/588300653.db2.gz WRLKEVDKEAXXDO-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO C#C[C@@H]1CCC[N@H+](C[C@H]2COCCO2)C1 ZINC000847018753 588302057 /nfs/dbraw/zinc/30/20/57/588302057.db2.gz MMLFSEIFKMUPPG-NEPJUHHUSA-N 1 0 209.289 0.747 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)N(C)OC)C1 ZINC000847021086 588302632 /nfs/dbraw/zinc/30/26/32/588302632.db2.gz IUUFDCHNLUDBHZ-JTQLQIEISA-N 1 0 210.277 0.351 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000847023271 588303294 /nfs/dbraw/zinc/30/32/94/588303294.db2.gz ZXINWNFFAJFUPB-WDEREUQCSA-N 1 0 206.289 0.610 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000847022452 588303303 /nfs/dbraw/zinc/30/33/03/588303303.db2.gz UMTVWYCXRSLEJC-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000847025050 588303641 /nfs/dbraw/zinc/30/36/41/588303641.db2.gz BDEUFQDMBPYQPY-ZJUUUORDSA-N 1 0 237.303 0.176 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000847029167 588304163 /nfs/dbraw/zinc/30/41/63/588304163.db2.gz LLUMHBBLMCVTHH-QWRGUYRKSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCC(=O)NC(=O)NC)C1 ZINC000847032536 588304484 /nfs/dbraw/zinc/30/44/84/588304484.db2.gz UMTZQTALBVEVKW-SNVBAGLBSA-N 1 0 237.303 0.177 20 30 BCEDRO C#CCSCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000847516109 588315209 /nfs/dbraw/zinc/31/52/09/588315209.db2.gz HQPQCVARSJEARG-LLVKDONJSA-N 1 0 240.372 0.811 20 30 BCEDRO C=C(CO)C(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000848033015 588348748 /nfs/dbraw/zinc/34/87/48/588348748.db2.gz IWAMSCNURIKTHY-UHFFFAOYSA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cccc(CO)n1 ZINC000848041582 588349607 /nfs/dbraw/zinc/34/96/07/588349607.db2.gz XIVMLBGVBZMBSN-UHFFFAOYSA-N 1 0 249.314 0.308 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCc1ccc(=O)[nH]c1 ZINC000848067135 588353062 /nfs/dbraw/zinc/35/30/62/588353062.db2.gz WLDIDTMQPDYYSZ-UHFFFAOYSA-N 1 0 249.314 0.564 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCOc2ccncc21 ZINC000848153892 588361764 /nfs/dbraw/zinc/36/17/64/588361764.db2.gz WVMBZLXJPJVLJV-UHFFFAOYSA-N 1 0 247.298 0.925 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC2(CC2(F)F)C1 ZINC000848258080 588368114 /nfs/dbraw/zinc/36/81/14/588368114.db2.gz HVYUQPSZBVVWEZ-UHFFFAOYSA-N 1 0 230.258 0.972 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)c1cnn(C)c1 ZINC000848343197 588372472 /nfs/dbraw/zinc/37/24/72/588372472.db2.gz AADWQVGEWLGGGH-UHFFFAOYSA-N 1 0 236.319 0.891 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cncnc1C ZINC000848408705 588379202 /nfs/dbraw/zinc/37/92/02/588379202.db2.gz WSKHCGYYXJKTJK-SSDOTTSWSA-N 1 0 232.291 0.446 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CN2CCCC2=O)C1 ZINC000848492338 588387318 /nfs/dbraw/zinc/38/73/18/588387318.db2.gz ATUNNFIYLBRLGM-LLVKDONJSA-N 1 0 206.289 0.912 20 30 BCEDRO C=CCONC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848598034 588401567 /nfs/dbraw/zinc/40/15/67/588401567.db2.gz GVDOGWQOFRLZIC-YFKPBYRVSA-N 1 0 227.186 0.293 20 30 BCEDRO N#CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000848599123 588401409 /nfs/dbraw/zinc/40/14/09/588401409.db2.gz WWYNPMIBKSUNLG-YFKPBYRVSA-N 1 0 224.186 0.089 20 30 BCEDRO C[NH+]=C(NCCN1CCC1)NCc1ccco1 ZINC000848986642 588425800 /nfs/dbraw/zinc/42/58/00/588425800.db2.gz OQCLXAIIWCJXRN-UHFFFAOYSA-N 1 0 236.319 0.650 20 30 BCEDRO C=CCNC(=[NH2+])NCCCCn1ccnc1 ZINC000848995511 588428688 /nfs/dbraw/zinc/42/86/88/588428688.db2.gz NNPOTISCJRGAAL-UHFFFAOYSA-N 1 0 221.308 0.963 20 30 BCEDRO CN(C)C(=[NH+]CC(=O)NC1CCCC1)N(C)C ZINC000848999674 588430390 /nfs/dbraw/zinc/43/03/90/588430390.db2.gz BLWPXYKOVIKVKG-UHFFFAOYSA-N 1 0 240.351 0.524 20 30 BCEDRO C[NH+]=C(NC[C@H](C)C(=O)OC)NC1CC1 ZINC000849001540 588430607 /nfs/dbraw/zinc/43/06/07/588430607.db2.gz WXAOCGZMQUBRCA-ZETCQYMHSA-N 1 0 213.281 0.123 20 30 BCEDRO CO[C@@H](C)CC[NH+]=C(N(C)C)N(C)C ZINC000849001396 588430764 /nfs/dbraw/zinc/43/07/64/588430764.db2.gz WLNSSCMFAWUVJR-VIFPVBQESA-N 1 0 201.314 0.891 20 30 BCEDRO C[NH+]=C(NCCCNc1ncccn1)NC1CC1 ZINC000849000480 588430836 /nfs/dbraw/zinc/43/08/36/588430836.db2.gz WAZMZVXYUBGJPO-UHFFFAOYSA-N 1 0 248.334 0.606 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCN2CCc3ccccc32)N1 ZINC000849000489 588431000 /nfs/dbraw/zinc/43/10/00/588431000.db2.gz WPZJSIKTQKABLX-NSHDSACASA-N 1 0 244.342 0.986 20 30 BCEDRO C[NH+]=C(NCCN1CCOC[C@H]1C)NC1CC1 ZINC000849003327 588431106 /nfs/dbraw/zinc/43/11/06/588431106.db2.gz GGGYYXPVMZDYBX-SNVBAGLBSA-N 1 0 240.351 0.035 20 30 BCEDRO CN1CC[NH+]=C1NCc1ccc(OCC#N)cc1 ZINC000849002671 588431356 /nfs/dbraw/zinc/43/13/56/588431356.db2.gz OWLBRRXBGSEEFS-UHFFFAOYSA-N 1 0 244.298 0.980 20 30 BCEDRO C[C@@H](C#N)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849003936 588431591 /nfs/dbraw/zinc/43/15/91/588431591.db2.gz OTBSUUHZRVOSRI-IUCAKERBSA-N 1 0 210.281 0.391 20 30 BCEDRO C[C@@H](C#N)CNC(=[NH2+])N1CCSCC1 ZINC000849004026 588431647 /nfs/dbraw/zinc/43/16/47/588431647.db2.gz UTYKREUUXZOLFM-QMMMGPOBSA-N 1 0 212.322 0.719 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCOc2cccnc2)N1 ZINC000849005502 588432656 /nfs/dbraw/zinc/43/26/56/588432656.db2.gz HHJMHEWLMHNIJU-SECBINFHSA-N 1 0 220.276 0.398 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCOC[C@H]2CCOC2)N1 ZINC000849009924 588434233 /nfs/dbraw/zinc/43/42/33/588434233.db2.gz LDGBVFRGJLEBCZ-GHMZBOCLSA-N 1 0 241.335 0.367 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])NCC(C)C ZINC000849015729 588436695 /nfs/dbraw/zinc/43/66/95/588436695.db2.gz MSDHKKKXHUAWKP-SNVBAGLBSA-N 1 0 213.325 0.941 20 30 BCEDRO CNC(NCC1([C@@H](C)CCO)CCC1)=[NH+]C ZINC000849016873 588437470 /nfs/dbraw/zinc/43/74/70/588437470.db2.gz OHMCKVSCBHHTFJ-JTQLQIEISA-N 1 0 227.352 0.970 20 30 BCEDRO C#CCOCCNC(=[NH2+])N1CCC(C)CC1 ZINC000849018065 588437689 /nfs/dbraw/zinc/43/76/89/588437689.db2.gz TXMFADQLOVRAEQ-UHFFFAOYSA-N 1 0 223.320 0.892 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCCCCS(C)(=O)=O)N1 ZINC000849020089 588438497 /nfs/dbraw/zinc/43/84/97/588438497.db2.gz HDKCLQZDSOQLBN-VIFPVBQESA-N 1 0 247.364 0.139 20 30 BCEDRO CNC(NCC[C@H](OC)C(F)(F)F)=[NH+]C ZINC000849021915 588439460 /nfs/dbraw/zinc/43/94/60/588439460.db2.gz YKAALZGRUXAICX-LURJTMIESA-N 1 0 227.230 0.749 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1ncccc1O ZINC000849023985 588439682 /nfs/dbraw/zinc/43/96/82/588439682.db2.gz CCBVTUJPKXCMMK-UHFFFAOYSA-N 1 0 220.276 0.977 20 30 BCEDRO CN(C)C(=[NH+]C[C@@H](CO)[C@H]1CCOC1)N(C)C ZINC000849024967 588440202 /nfs/dbraw/zinc/44/02/02/588440202.db2.gz HKZUSYPMRGHCCF-QWRGUYRKSA-N 1 0 243.351 0.111 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](CO)c1cccnc1 ZINC000849028874 588442055 /nfs/dbraw/zinc/44/20/55/588442055.db2.gz KKBYROUZIAHPQE-NSHDSACASA-N 1 0 234.303 0.457 20 30 BCEDRO C[NH+]=C(NCCCc1cnn(C)n1)NC1CC1 ZINC000849030973 588442872 /nfs/dbraw/zinc/44/28/72/588442872.db2.gz RRXFRSWDERFIII-UHFFFAOYSA-N 1 0 236.323 0.075 20 30 BCEDRO CCNC(NCCCc1cnn(C)n1)=[NH+]CC ZINC000849030885 588442880 /nfs/dbraw/zinc/44/28/80/588442880.db2.gz QUDPBNWUVWOASG-UHFFFAOYSA-N 1 0 238.339 0.323 20 30 BCEDRO CNC(NC[C@]1(O)CCCC1(C)C)=[NH+]C ZINC000849031602 588443221 /nfs/dbraw/zinc/44/32/21/588443221.db2.gz VNTNMDUPTQPXBS-LLVKDONJSA-N 1 0 213.325 0.722 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nnc(CC)[nH]1 ZINC000849032583 588443454 /nfs/dbraw/zinc/44/34/54/588443454.db2.gz OFHDLAOFTWPVSM-UHFFFAOYSA-N 1 0 208.269 0.167 20 30 BCEDRO CNC(NC[C@H](CO)C1CCCCC1)=[NH+]C ZINC000849033589 588443736 /nfs/dbraw/zinc/44/37/36/588443736.db2.gz RAHXORLPGVSQQO-LLVKDONJSA-N 1 0 227.352 0.970 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1nnc(C2CC2)[nH]1 ZINC000849034722 588444293 /nfs/dbraw/zinc/44/42/93/588444293.db2.gz GRGDOWRKQBIEGB-UHFFFAOYSA-N 1 0 234.307 0.872 20 30 BCEDRO CN(C)C(=[NH+]CC1=CCOCC1)N(C)C ZINC000849034794 588444806 /nfs/dbraw/zinc/44/48/06/588444806.db2.gz JCTIOUAMQZNVIA-UHFFFAOYSA-N 1 0 211.309 0.812 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1cn(C)cn1 ZINC000849040116 588447052 /nfs/dbraw/zinc/44/70/52/588447052.db2.gz LLHMEPKUJPNBML-UHFFFAOYSA-N 1 0 207.281 0.263 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCS(=O)(=O)C1CC1 ZINC000849042875 588448784 /nfs/dbraw/zinc/44/87/84/588448784.db2.gz HAWVOFNODYBWJY-UHFFFAOYSA-N 1 0 245.348 0.254 20 30 BCEDRO CCNC(NCCS(=O)(=O)C1CC1)=[NH+]CC ZINC000849043296 588448790 /nfs/dbraw/zinc/44/87/90/588448790.db2.gz RAOADEALMXNIKG-UHFFFAOYSA-N 1 0 247.364 0.139 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCS(=O)(=O)CC ZINC000849042807 588448895 /nfs/dbraw/zinc/44/88/95/588448895.db2.gz CVFRSMBPHZPVMW-UHFFFAOYSA-N 1 0 247.364 0.501 20 30 BCEDRO CCS(=O)(=O)CCCNC(NC1CC1)=[NH+]C ZINC000849043075 588448964 /nfs/dbraw/zinc/44/89/64/588448964.db2.gz LQCGWOUVRCJQHP-UHFFFAOYSA-N 1 0 247.364 0.139 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCCS(C)(=O)=O ZINC000849044279 588449031 /nfs/dbraw/zinc/44/90/31/588449031.db2.gz DUGYRFCAHIQFCJ-UHFFFAOYSA-N 1 0 247.364 0.501 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NCC)nn1 ZINC000849044523 588449212 /nfs/dbraw/zinc/44/92/12/588449212.db2.gz ULQBPWFUKBEXIM-UHFFFAOYSA-N 1 0 208.269 0.098 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CC(=O)N(CC)C1 ZINC000849047929 588450839 /nfs/dbraw/zinc/45/08/39/588450839.db2.gz ZXUHKDBVLCMDFN-VIFPVBQESA-N 1 0 224.308 0.155 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])Nc1ccccn1 ZINC000849077262 588452136 /nfs/dbraw/zinc/45/21/36/588452136.db2.gz YPRDPXWUTQGNQJ-UHFFFAOYSA-N 1 0 233.275 0.320 20 30 BCEDRO CCNC(NCC1(C(N)=O)CCCC1)=[NH+]CC ZINC000849214613 588461469 /nfs/dbraw/zinc/46/14/69/588461469.db2.gz XCMVOVBGODHQQB-UHFFFAOYSA-N 1 0 240.351 0.607 20 30 BCEDRO CCNC(NCCN(C)OC)=[NH+]CC ZINC000849214987 588461756 /nfs/dbraw/zinc/46/17/56/588461756.db2.gz HJTFRQWJDQPGGX-UHFFFAOYSA-N 1 0 202.302 0.055 20 30 BCEDRO CCNC(NCC1(C(=O)OCC)CC1)=[NH+]CC ZINC000849214727 588461786 /nfs/dbraw/zinc/46/17/86/588461786.db2.gz JHFCDFXBTRHYAX-UHFFFAOYSA-N 1 0 241.335 0.905 20 30 BCEDRO CCc1cnccc1CNC(NC)=[NH+]C ZINC000849214839 588461793 /nfs/dbraw/zinc/46/17/93/588461793.db2.gz WAMGAGXLFSUWIG-UHFFFAOYSA-N 1 0 206.293 0.939 20 30 BCEDRO CCNC(NCC1(O)CC(OCC)C1)=[NH+]CC ZINC000849214739 588461814 /nfs/dbraw/zinc/46/18/14/588461814.db2.gz KWIVSEFGOJTRER-UHFFFAOYSA-N 1 0 243.351 0.491 20 30 BCEDRO CCNC(N[C@@H]1C[C@H](O)C12CCC2)=[NH+]CC ZINC000849214995 588462033 /nfs/dbraw/zinc/46/20/33/588462033.db2.gz HVSUAILTRLXOHD-ZJUUUORDSA-N 1 0 225.336 0.865 20 30 BCEDRO CNC(NCC(C)(C)[C@@H](O)C(C)C)=[NH+]C ZINC000849214702 588462041 /nfs/dbraw/zinc/46/20/41/588462041.db2.gz HGMZZFQVCBBOOY-VIFPVBQESA-N 1 0 215.341 0.824 20 30 BCEDRO C=CCn1cc(CNC2=[NH+]CCCCN2)nn1 ZINC000849217169 588462530 /nfs/dbraw/zinc/46/25/30/588462530.db2.gz APYPRCCMUNOPGV-UHFFFAOYSA-N 1 0 234.307 0.293 20 30 BCEDRO C#CCNC(=S)NCC[C@H](C)[NH+](C)C ZINC000849280920 588469725 /nfs/dbraw/zinc/46/97/25/588469725.db2.gz JVPXRJRVPJAQBD-VIFPVBQESA-N 1 0 213.350 0.424 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCO[C@@H]1CC1(F)F ZINC000849326097 588472945 /nfs/dbraw/zinc/47/29/45/588472945.db2.gz CMZHPCHCMKIYTG-SECBINFHSA-N 1 0 246.257 0.140 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1COC2(CCC2)C1 ZINC000850431046 588546031 /nfs/dbraw/zinc/54/60/31/588546031.db2.gz SDKXGYVWFAWMEG-NSHDSACASA-N 1 0 236.315 0.427 20 30 BCEDRO CCn1ccc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000850757612 588565137 /nfs/dbraw/zinc/56/51/37/588565137.db2.gz NCUBMWBQTDEMTC-IUCAKERBSA-N 1 0 248.290 0.136 20 30 BCEDRO CC[NH2+]CC(=O)NCCc1ccc(C#N)cc1 ZINC000851639324 588612632 /nfs/dbraw/zinc/61/26/32/588612632.db2.gz CZIMTLJSHWPLLJ-UHFFFAOYSA-N 1 0 231.299 0.826 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@@H](C)C[NH2+]C)C(C)C ZINC000851660925 588613710 /nfs/dbraw/zinc/61/37/10/588613710.db2.gz BOPRNUJLBGTKFL-VHSXEESVSA-N 1 0 211.309 0.551 20 30 BCEDRO C=CCCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000851668295 588614035 /nfs/dbraw/zinc/61/40/35/588614035.db2.gz FJJBXTJSEMCHFL-SNVBAGLBSA-N 1 0 211.309 0.943 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCC1([NH3+])CCCC1 ZINC000851670981 588614485 /nfs/dbraw/zinc/61/44/85/588614485.db2.gz CWOWPOHIGOCXRR-SNVBAGLBSA-N 1 0 223.320 0.921 20 30 BCEDRO C=CCOCCNC(=O)N(C)CC[NH2+]C ZINC000851676361 588614502 /nfs/dbraw/zinc/61/45/02/588614502.db2.gz IZHSUNMZUFYTHN-UHFFFAOYSA-N 1 0 215.297 0.050 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851677167 588614522 /nfs/dbraw/zinc/61/45/22/588614522.db2.gz MZGQUZQQPMYADF-GRZMOONWSA-N 1 0 221.304 0.402 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H](C)C[NH2+]C ZINC000851681745 588614671 /nfs/dbraw/zinc/61/46/71/588614671.db2.gz QWDUSBIFKGOHTA-NSHDSACASA-N 1 0 221.304 0.262 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@@H](C)C[NH2+]C ZINC000851680207 588614788 /nfs/dbraw/zinc/61/47/88/588614788.db2.gz GEXJKPHKNBQDGQ-ZETCQYMHSA-N 1 0 205.689 0.646 20 30 BCEDRO C#CCOCC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000851714856 588615709 /nfs/dbraw/zinc/61/57/09/588615709.db2.gz VHBOFZRSWKQLLN-UHFFFAOYSA-N 1 0 238.331 0.436 20 30 BCEDRO C#CCOCCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000851747692 588622115 /nfs/dbraw/zinc/62/21/15/588622115.db2.gz JHLDGXNBEKEYOW-ZDUSSCGKSA-N 1 0 222.332 0.806 20 30 BCEDRO C#CCOCC[N@@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000851748077 588622279 /nfs/dbraw/zinc/62/22/79/588622279.db2.gz ZVHUSXCKBWNZDR-NSHDSACASA-N 1 0 239.315 0.910 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](COC)C1 ZINC000851771354 588625213 /nfs/dbraw/zinc/62/52/13/588625213.db2.gz CBPAOSVEBZHSEA-GFCCVEGCSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CCOCCN(CC)[C@@H](C)CS(C)(=O)=O ZINC000851768829 588625407 /nfs/dbraw/zinc/62/54/07/588625407.db2.gz CSWFFMXYNCMITE-NSHDSACASA-N 1 0 247.360 0.391 20 30 BCEDRO C#CCOCC[NH2+]C1(CO)Cc2ccccc2C1 ZINC000851772832 588626220 /nfs/dbraw/zinc/62/62/20/588626220.db2.gz FLNGTLGFIAMVGI-UHFFFAOYSA-N 1 0 245.322 0.756 20 30 BCEDRO C#CC[N@H+](CC#CC)C[C@@H](OC)[C@H]1CCOC1 ZINC000851784816 588628223 /nfs/dbraw/zinc/62/82/23/588628223.db2.gz LKKOZKGGZKSAIO-UONOGXRCSA-N 1 0 235.327 0.996 20 30 BCEDRO C#CCN(CC#CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000851783862 588628232 /nfs/dbraw/zinc/62/82/32/588628232.db2.gz FXSPELQFMPBCQQ-CQSZACIVSA-N 1 0 236.359 0.646 20 30 BCEDRO C#CC[N@@H+](CC#CC)C[C@@H]1CNC(=O)C1 ZINC000851785317 588628539 /nfs/dbraw/zinc/62/85/39/588628539.db2.gz PMJRHPBAPHDWPF-NSHDSACASA-N 1 0 204.273 0.081 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](COCCOC)C1 ZINC000851788270 588628783 /nfs/dbraw/zinc/62/87/83/588628783.db2.gz SMVGTAIIHIAQIE-CYBMUJFWSA-N 1 0 241.331 0.621 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](OC)[C@@H]1CCOC1 ZINC000851798862 588630223 /nfs/dbraw/zinc/63/02/23/588630223.db2.gz ISQIVSAMOSLMTP-NEPJUHHUSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000851803163 588631012 /nfs/dbraw/zinc/63/10/12/588631012.db2.gz DUEGZVYVBTYBDF-VIFPVBQESA-N 1 0 237.221 0.635 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000851811160 588632682 /nfs/dbraw/zinc/63/26/82/588632682.db2.gz SBGBBTRKSSWJOA-LBPRGKRZSA-N 1 0 225.288 0.521 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000851860094 588635614 /nfs/dbraw/zinc/63/56/14/588635614.db2.gz FRPWWONGJSBWTE-NWDGAFQWSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000851865971 588636633 /nfs/dbraw/zinc/63/66/33/588636633.db2.gz YSNYLOAFUYIZSI-VXGBXAGGSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2cnn(CC)n2)CC1 ZINC000851872367 588637833 /nfs/dbraw/zinc/63/78/33/588637833.db2.gz DDQTUFOYZWEODN-UHFFFAOYSA-N 1 0 247.346 0.439 20 30 BCEDRO C#CCOCC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000851878667 588638817 /nfs/dbraw/zinc/63/88/17/588638817.db2.gz FHFOELZOBSGNOI-GFCCVEGCSA-N 1 0 209.289 0.747 20 30 BCEDRO C#CCOCCN1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000851878340 588639035 /nfs/dbraw/zinc/63/90/35/588639035.db2.gz BIKOHQQDLIXKPC-VXGBXAGGSA-N 1 0 242.388 0.614 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000851910069 588642859 /nfs/dbraw/zinc/64/28/59/588642859.db2.gz JABCKHPVXNKZGH-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C#CCOCC[N@@H+](C)Cc1cnc(N(C)C)nc1 ZINC000851911935 588643022 /nfs/dbraw/zinc/64/30/22/588643022.db2.gz HTMPHFMISYVHQJ-UHFFFAOYSA-N 1 0 248.330 0.624 20 30 BCEDRO C#CCOCCN[C@@H](C(=O)OC)[C@H](C)CC ZINC000851929417 588644879 /nfs/dbraw/zinc/64/48/79/588644879.db2.gz YWPMYPYUDXLLKL-GHMZBOCLSA-N 1 0 227.304 0.814 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000851934134 588645631 /nfs/dbraw/zinc/64/56/31/588645631.db2.gz ZFZHSYNOAQUAIT-MNOVXSKESA-N 1 0 224.304 0.270 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000851943045 588646489 /nfs/dbraw/zinc/64/64/89/588646489.db2.gz QEGGPNFGNNCTIN-GFCCVEGCSA-N 1 0 225.288 0.128 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(OC)OC)[C@H]1CCCO1 ZINC000851951089 588646915 /nfs/dbraw/zinc/64/69/15/588646915.db2.gz UTPNXIZOLIQSLN-GHMZBOCLSA-N 1 0 227.304 0.766 20 30 BCEDRO C#C[C@H]([NH2+]CCC(OC)OC)[C@@H]1CCCO1 ZINC000851951092 588647145 /nfs/dbraw/zinc/64/71/45/588647145.db2.gz UTPNXIZOLIQSLN-QWRGUYRKSA-N 1 0 227.304 0.766 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000851954634 588647382 /nfs/dbraw/zinc/64/73/82/588647382.db2.gz VFARZCFTBLAGPZ-LLVKDONJSA-N 1 0 220.276 0.175 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCOC[C@H]1OCC ZINC000851952067 588647506 /nfs/dbraw/zinc/64/75/06/588647506.db2.gz HTXYQKQKDOMXOJ-NWDGAFQWSA-N 1 0 227.304 0.420 20 30 BCEDRO C#CCOCCN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000851955105 588647607 /nfs/dbraw/zinc/64/76/07/588647607.db2.gz ZUZGFZSWXXXUTM-STQMWFEESA-N 1 0 240.347 0.023 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000851968881 588649091 /nfs/dbraw/zinc/64/90/91/588649091.db2.gz UNMBOABODLMMGO-LLVKDONJSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C ZINC000851975311 588650245 /nfs/dbraw/zinc/65/02/45/588650245.db2.gz PHOPZDKLWIHDKH-QWRGUYRKSA-N 1 0 225.288 0.520 20 30 BCEDRO C#CCN(C)[C@@H]1C[C@H]2CCCC[C@@H]2NC1=O ZINC000851977970 588650529 /nfs/dbraw/zinc/65/05/29/588650529.db2.gz IQIYJLBMNJMIAU-GRYCIOLGSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CCN(C)[C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000851977971 588650618 /nfs/dbraw/zinc/65/06/18/588650618.db2.gz IQIYJLBMNJMIAU-IJLUTSLNSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@H](C)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000851988715 588652352 /nfs/dbraw/zinc/65/23/52/588652352.db2.gz CLZFXPHLRSNAHV-NWDGAFQWSA-N 1 0 212.337 0.641 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851989959 588652559 /nfs/dbraw/zinc/65/25/59/588652559.db2.gz MILLVKYVISPJDD-RISCZKNCSA-N 1 0 246.310 0.313 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851989954 588652626 /nfs/dbraw/zinc/65/26/26/588652626.db2.gz MILLVKYVISPJDD-BXUZGUMPSA-N 1 0 246.310 0.313 20 30 BCEDRO C#CCOCC[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000852004863 588654318 /nfs/dbraw/zinc/65/43/18/588654318.db2.gz VJFUXBYACMCLDM-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCOCC[NH2+][C@@H](CO)C1CCCC1 ZINC000852067198 588658891 /nfs/dbraw/zinc/65/88/91/588658891.db2.gz VWLFHJMJILHBTF-LBPRGKRZSA-N 1 0 211.305 0.777 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1CCC(=O)NC1=O ZINC000852100774 588662576 /nfs/dbraw/zinc/66/25/76/588662576.db2.gz IVRZQYNMFDZHTL-KCJUWKMLSA-N 1 0 208.261 0.183 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCCN1C(=O)CNC1=O ZINC000852099248 588662586 /nfs/dbraw/zinc/66/25/86/588662586.db2.gz HUQMJVYKWNWADC-LBPRGKRZSA-N 1 0 237.303 0.320 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCCN1C(=O)CNC1=O ZINC000852099247 588662644 /nfs/dbraw/zinc/66/26/44/588662644.db2.gz HUQMJVYKWNWADC-GFCCVEGCSA-N 1 0 237.303 0.320 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCCN(C)C1=O ZINC000852101813 588663111 /nfs/dbraw/zinc/66/31/11/588663111.db2.gz UKCAELBZNJXSSM-CMPLNLGQSA-N 1 0 208.305 0.999 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)NCC(=O)OC ZINC000852102139 588663155 /nfs/dbraw/zinc/66/31/55/588663155.db2.gz WHLNQKLHGFXKJQ-BXKDBHETSA-N 1 0 240.303 0.056 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC1(O)CCOCC1 ZINC000852101158 588663277 /nfs/dbraw/zinc/66/32/77/588663277.db2.gz NCHOOYBXQIQKAR-NSHDSACASA-N 1 0 211.305 0.919 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000852104800 588663605 /nfs/dbraw/zinc/66/36/05/588663605.db2.gz OBBPZIKDHKXAEN-AWEZNQCLSA-N 1 0 249.358 0.154 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000852134261 588665838 /nfs/dbraw/zinc/66/58/38/588665838.db2.gz CFPYLQVDPCDYAV-RYUDHWBXSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CCOCC[NH2+][C@H](CO)[C@H]1CCCOC1 ZINC000852172189 588669201 /nfs/dbraw/zinc/66/92/01/588669201.db2.gz GKIBPBABZNVANZ-NWDGAFQWSA-N 1 0 227.304 0.013 20 30 BCEDRO C#CCOCC[NH2+]C(C)(C)CN1CCOCC1 ZINC000852172683 588669336 /nfs/dbraw/zinc/66/93/36/588669336.db2.gz MISKGJRVLPIIOY-UHFFFAOYSA-N 1 0 240.347 0.337 20 30 BCEDRO C#CC1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000852205962 588671823 /nfs/dbraw/zinc/67/18/23/588671823.db2.gz WPZPWTOOXDCYLI-NSHDSACASA-N 1 0 206.289 0.468 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000852274528 588675406 /nfs/dbraw/zinc/67/54/06/588675406.db2.gz COJRZAUUALTLID-LBPRGKRZSA-N 1 0 237.347 0.991 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852298287 588677249 /nfs/dbraw/zinc/67/72/49/588677249.db2.gz XWHXFEBTEDCWST-LBPRGKRZSA-N 1 0 236.315 0.793 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000852319470 588677936 /nfs/dbraw/zinc/67/79/36/588677936.db2.gz NJJUQRDUGYQIBV-ZJUUUORDSA-N 1 0 235.287 0.417 20 30 BCEDRO C#CCNC(=O)C[N@@H+](CCOC)C(CC)CC ZINC000110593159 588680558 /nfs/dbraw/zinc/68/05/58/588680558.db2.gz PCUXMCMFABTSLL-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000852409308 588681057 /nfs/dbraw/zinc/68/10/57/588681057.db2.gz NJQOGSCDXWFACP-GFCCVEGCSA-N 1 0 227.304 0.110 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000852500772 588685700 /nfs/dbraw/zinc/68/57/00/588685700.db2.gz DMRSOKSWZMITGH-CYBMUJFWSA-N 1 0 223.316 0.873 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000852538336 588689358 /nfs/dbraw/zinc/68/93/58/588689358.db2.gz ZFODXHMNLMDDHD-OUAUKWLOSA-N 1 0 210.277 0.372 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)CCN(C)C(=O)OC ZINC000852571360 588691374 /nfs/dbraw/zinc/69/13/74/588691374.db2.gz XYEKXGJYCVGXBK-NSHDSACASA-N 1 0 244.335 0.944 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000852583274 588691824 /nfs/dbraw/zinc/69/18/24/588691824.db2.gz UVVONSMYLVBQCF-VWYCJHECSA-N 1 0 224.304 0.808 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000852581272 588691952 /nfs/dbraw/zinc/69/19/52/588691952.db2.gz JXCZAYVCDOJTET-GHMZBOCLSA-N 1 0 209.289 0.529 20 30 BCEDRO CCN(C[C@H](O)C[NH+]1CCCC1)[C@H](C)C#N ZINC000852641129 588693811 /nfs/dbraw/zinc/69/38/11/588693811.db2.gz MRTXOEWGRZPHCT-VXGBXAGGSA-N 1 0 225.336 0.677 20 30 BCEDRO CCN(C[C@@H](O)C[NH+]1CCCC1)[C@H](C)C#N ZINC000852641126 588693843 /nfs/dbraw/zinc/69/38/43/588693843.db2.gz MRTXOEWGRZPHCT-NEPJUHHUSA-N 1 0 225.336 0.677 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852669114 588694982 /nfs/dbraw/zinc/69/49/82/588694982.db2.gz MKDRZRGGXAPPFR-QJPTWQEYSA-N 1 0 236.315 0.093 20 30 BCEDRO C#CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852710130 588697092 /nfs/dbraw/zinc/69/70/92/588697092.db2.gz KXYVMRIIFBCLRK-LBPRGKRZSA-N 1 0 208.305 0.151 20 30 BCEDRO C#CCCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852708180 588697313 /nfs/dbraw/zinc/69/73/13/588697313.db2.gz SNYQNKSDNAUSMA-CYBMUJFWSA-N 1 0 222.332 0.541 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCNC(=O)C(F)(F)F ZINC000852714172 588697811 /nfs/dbraw/zinc/69/78/11/588697811.db2.gz BUCFWJWHCUDIDP-SSDOTTSWSA-N 1 0 240.225 0.192 20 30 BCEDRO C#CCC[N@@H+](CCOC)CC[S@](C)=O ZINC000852750519 588699883 /nfs/dbraw/zinc/69/98/83/588699883.db2.gz XMNROTVBYVNKMT-AWEZNQCLSA-N 1 0 217.334 0.337 20 30 BCEDRO C=CCNC(=O)[C@H]1[NH2+]CC12CCOCC2 ZINC000852773757 588701426 /nfs/dbraw/zinc/70/14/26/588701426.db2.gz DZSZEDHPMLKJCD-SECBINFHSA-N 1 0 210.277 0.057 20 30 BCEDRO CC[C@@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852800592 588704203 /nfs/dbraw/zinc/70/42/03/588704203.db2.gz PMOPNARIFOTENN-SNVBAGLBSA-N 1 0 208.305 0.904 20 30 BCEDRO Cn1cc(CNC(=O)C#CC2CC[NH2+]CC2)cn1 ZINC000852820967 588705861 /nfs/dbraw/zinc/70/58/61/588705861.db2.gz GBGILRWVWNMKTE-UHFFFAOYSA-N 1 0 246.314 0.039 20 30 BCEDRO C/C(=C\C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)c1ccco1 ZINC000852827150 588706280 /nfs/dbraw/zinc/70/62/80/588706280.db2.gz CEJBOEYEZTZSKI-UJQHZETGSA-N 1 0 245.282 0.911 20 30 BCEDRO C[C@@H](CCCO)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852841995 588707347 /nfs/dbraw/zinc/70/73/47/588707347.db2.gz UKDLPMIFOLDEME-NSHDSACASA-N 1 0 238.331 0.267 20 30 BCEDRO C=CC[C@@]1(C(=O)N2CC[C@@H](OC)C2)CCC[NH2+]1 ZINC000852842997 588707601 /nfs/dbraw/zinc/70/76/01/588707601.db2.gz NFNOCTYGWWKVFQ-YPMHNXCESA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[C@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852843277 588707665 /nfs/dbraw/zinc/70/76/65/588707665.db2.gz UVCOXHBQCRWFJD-JGVFFNPUSA-N 1 0 211.265 0.171 20 30 BCEDRO C=CCCCN(C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852843734 588707736 /nfs/dbraw/zinc/70/77/36/588707736.db2.gz GDUPFVPHNYWJPU-VIFPVBQESA-N 1 0 225.292 0.515 20 30 BCEDRO CCN1CCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852855875 588708435 /nfs/dbraw/zinc/70/84/35/588708435.db2.gz IRJLEUWOACWKEX-UHFFFAOYSA-N 1 0 249.358 0.154 20 30 BCEDRO C=CCOCCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852855471 588708478 /nfs/dbraw/zinc/70/84/78/588708478.db2.gz ZSMNYGYMNUGQBT-LLVKDONJSA-N 1 0 230.283 0.397 20 30 BCEDRO C=CCOCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000852865063 588709527 /nfs/dbraw/zinc/70/95/27/588709527.db2.gz QLFHGGAAHIUGPT-JTQLQIEISA-N 1 0 216.256 0.007 20 30 BCEDRO CC(C)n1nccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852875811 588709993 /nfs/dbraw/zinc/70/99/93/588709993.db2.gz QJAGGSWTEOMFCZ-NXEZZACHSA-N 1 0 247.302 0.305 20 30 BCEDRO CS[C@H](C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852876721 588710365 /nfs/dbraw/zinc/71/03/65/588710365.db2.gz QEFMZPDEIXDOHB-SNVBAGLBSA-N 1 0 240.372 0.857 20 30 BCEDRO C=CCN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852879725 588710695 /nfs/dbraw/zinc/71/06/95/588710695.db2.gz YXVLACZIMUBJJA-UHFFFAOYSA-N 1 0 206.289 0.634 20 30 BCEDRO Cc1cc(NC(=O)C#CC2CC[NH2+]CC2)nn1C ZINC000852892849 588711720 /nfs/dbraw/zinc/71/17/20/588711720.db2.gz OMVNSOCYXVTPGZ-UHFFFAOYSA-N 1 0 246.314 0.670 20 30 BCEDRO C#CCNC(=O)C[C@H]1[NH2+]Cc2ccccc21 ZINC000852894787 588711918 /nfs/dbraw/zinc/71/19/18/588711918.db2.gz UKXUTLIAANDPNC-GFCCVEGCSA-N 1 0 214.268 0.970 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000852916373 588713043 /nfs/dbraw/zinc/71/30/43/588713043.db2.gz HDKZRRBDNSTCND-GHMZBOCLSA-N 1 0 225.267 0.450 20 30 BCEDRO C=CCOCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852916164 588713248 /nfs/dbraw/zinc/71/32/48/588713248.db2.gz YGSFGMTZMKLTSI-UHFFFAOYSA-N 1 0 236.315 0.308 20 30 BCEDRO C=CCCOCC(=O)OCC[NH+]1CCC1 ZINC000861386666 589162520 /nfs/dbraw/zinc/16/25/20/589162520.db2.gz JWGUHLJRNGUAJG-UHFFFAOYSA-N 1 0 213.277 0.828 20 30 BCEDRO C#CCCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000861623052 589170769 /nfs/dbraw/zinc/17/07/69/589170769.db2.gz BXRICJNQYBLKIR-UHFFFAOYSA-N 1 0 239.319 0.207 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)NCC1(CC#N)CC1 ZINC000861629539 589170827 /nfs/dbraw/zinc/17/08/27/589170827.db2.gz TUNCGMXYPZJXQN-VIFPVBQESA-N 1 0 224.308 0.669 20 30 BCEDRO C#C[C@@H](NC(=O)NCCOCCC[NH3+])C(C)C ZINC000861633411 589171314 /nfs/dbraw/zinc/17/13/14/589171314.db2.gz OCDYZBVUBGYJLM-LLVKDONJSA-N 1 0 241.335 0.309 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000861647179 589172809 /nfs/dbraw/zinc/17/28/09/589172809.db2.gz CWCMJSHVDQWLGD-LPEHRKFASA-N 1 0 224.308 0.667 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[NH2+][C@H]1CC)C1CC1 ZINC000861670973 589174033 /nfs/dbraw/zinc/17/40/33/589174033.db2.gz KFQZJZCGUOUQBH-NWDGAFQWSA-N 1 0 235.331 0.934 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861673439 589174114 /nfs/dbraw/zinc/17/41/14/589174114.db2.gz NACLMJGQRGWDCP-OUAUKWLOSA-N 1 0 223.320 0.790 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861686295 589174296 /nfs/dbraw/zinc/17/42/96/589174296.db2.gz NJTWKEGADKSONK-QWHCGFSZSA-N 1 0 247.342 0.795 20 30 BCEDRO C=CCN(C(=O)NC[C@@H]1COCC[NH2+]1)C(C)C ZINC000861682521 589174495 /nfs/dbraw/zinc/17/44/95/589174495.db2.gz RNALFRAKMJSFGM-LLVKDONJSA-N 1 0 241.335 0.581 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1)C1CC1 ZINC000861691566 589174717 /nfs/dbraw/zinc/17/47/17/589174717.db2.gz WTELXJVATYUIBV-GHMZBOCLSA-N 1 0 235.331 0.934 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CC)C1CC[NH+](C)CC1 ZINC000861890792 589182279 /nfs/dbraw/zinc/18/22/79/589182279.db2.gz MTODCXSRKJUFLR-LLVKDONJSA-N 1 0 226.320 0.476 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000861911875 589182991 /nfs/dbraw/zinc/18/29/91/589182991.db2.gz FWTQGJVPEVAGPS-PJXYFTJBSA-N 1 0 218.300 0.418 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cn2cccnc2n1 ZINC000862550158 589220943 /nfs/dbraw/zinc/22/09/43/589220943.db2.gz JCCWEUPFEZYYEA-NSHDSACASA-N 1 0 244.298 0.857 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)Nn1cccn1 ZINC000862766393 589238712 /nfs/dbraw/zinc/23/87/12/589238712.db2.gz GCESHGLMGKBKNZ-JTQLQIEISA-N 1 0 218.260 0.051 20 30 BCEDRO CON=CC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000862794170 589241672 /nfs/dbraw/zinc/24/16/72/589241672.db2.gz XYAGCJKQYSSPSA-SNVBAGLBSA-N 1 0 227.308 0.467 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H]2CCC[C@@H]21 ZINC000862859230 589244668 /nfs/dbraw/zinc/24/46/68/589244668.db2.gz DNPYHUWGPQWFCB-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CC(=O)N1CCC(C)([NH+]2CCOCC2)CC1 ZINC000862959825 589249061 /nfs/dbraw/zinc/24/90/61/589249061.db2.gz CNVYCRHHJVPXJS-UHFFFAOYSA-N 1 0 236.315 0.333 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]C[C@H](C)N2)ccn1 ZINC000863105673 589256785 /nfs/dbraw/zinc/25/67/85/589256785.db2.gz XHQWIWKEOIJKHW-VIFPVBQESA-N 1 0 217.276 0.661 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]CCN2)ccn1 ZINC000863120822 589260251 /nfs/dbraw/zinc/26/02/51/589260251.db2.gz SYNUPTKHAXLRCO-UHFFFAOYSA-N 1 0 203.249 0.273 20 30 BCEDRO CN(C)c1cc[nH+]cc1C=NN1CCOC1=O ZINC000863163197 589265680 /nfs/dbraw/zinc/26/56/80/589265680.db2.gz SLGGRJKSHYDNQO-UHFFFAOYSA-N 1 0 234.259 0.934 20 30 BCEDRO NC(=NOCC[NH+]1CCCCC1)c1ccncn1 ZINC000863486655 589293310 /nfs/dbraw/zinc/29/33/10/589293310.db2.gz BPMBJVXEIMKJLH-UHFFFAOYSA-N 1 0 249.318 0.599 20 30 BCEDRO Cc1ccc(CN(CC[NH3+])CCO)cc1C#N ZINC000863541492 589297041 /nfs/dbraw/zinc/29/70/41/589297041.db2.gz MFVOKHQNGSCSGV-UHFFFAOYSA-N 1 0 233.315 0.620 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863559769 589298908 /nfs/dbraw/zinc/29/89/08/589298908.db2.gz UUVUODPDJCJEIP-GHMZBOCLSA-N 1 0 222.288 0.015 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863559770 589299064 /nfs/dbraw/zinc/29/90/64/589299064.db2.gz UUVUODPDJCJEIP-MNOVXSKESA-N 1 0 222.288 0.015 20 30 BCEDRO C[C@H]([NH3+])CN(C)Cc1ccncc1C#N ZINC000863569042 589299970 /nfs/dbraw/zinc/29/99/70/589299970.db2.gz QQVSCVBZZQNFTD-VIFPVBQESA-N 1 0 204.277 0.732 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000863588739 589301075 /nfs/dbraw/zinc/30/10/75/589301075.db2.gz FDLKONWNVKQCIN-ZJUUUORDSA-N 1 0 233.333 0.047 20 30 BCEDRO C#CCOc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000863585319 589302392 /nfs/dbraw/zinc/30/23/92/589302392.db2.gz VUVYBOAWOGKYLC-LBPRGKRZSA-N 1 0 244.294 0.790 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000863589290 589302543 /nfs/dbraw/zinc/30/25/43/589302543.db2.gz LYFXTHCMJBNDAC-MNOVXSKESA-N 1 0 247.360 0.438 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]CCS(=O)(=O)CC ZINC000863589213 589302717 /nfs/dbraw/zinc/30/27/17/589302717.db2.gz KOEGCGQZMRJUCN-LLVKDONJSA-N 1 0 247.360 0.439 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](O)COC(C)C ZINC000863588553 589302737 /nfs/dbraw/zinc/30/27/37/589302737.db2.gz BSDFPHIPUAVEJN-OLZOCXBDSA-N 1 0 243.347 0.790 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000863589074 589302788 /nfs/dbraw/zinc/30/27/88/589302788.db2.gz JKGUEHUNPISNKG-NEPJUHHUSA-N 1 0 238.331 0.915 20 30 BCEDRO C=C(C)CN(CC)C(=O)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000863749620 589314520 /nfs/dbraw/zinc/31/45/20/589314520.db2.gz WMIMOWULPCPJAN-SNVBAGLBSA-N 1 0 241.335 0.217 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000863771633 589316055 /nfs/dbraw/zinc/31/60/55/589316055.db2.gz HVKFSDXLQUGCCT-PHIMTYICSA-N 1 0 226.320 0.645 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)C[N@H+](C)C(C)C ZINC000863789248 589318447 /nfs/dbraw/zinc/31/84/47/589318447.db2.gz YIJQLORIZVSXRN-GFCCVEGCSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)[C@H](CC)[NH+](C)C ZINC000863800327 589318529 /nfs/dbraw/zinc/31/85/29/589318529.db2.gz CKALOWGMRASUMP-QWRGUYRKSA-N 1 0 226.320 0.481 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000863804433 589320089 /nfs/dbraw/zinc/32/00/89/589320089.db2.gz FSABDBNBCBCKGO-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCCN1CC[NH+](CCCOC)CC1 ZINC000119804966 589334471 /nfs/dbraw/zinc/33/44/71/589334471.db2.gz ZLWCORZMWGJWQV-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO OCCN[NH+]=Cc1ccc(N2CCOCC2)cc1 ZINC000864346064 589354716 /nfs/dbraw/zinc/35/47/16/589354716.db2.gz NBRFDHDAFUEJSK-UHFFFAOYSA-N 1 0 249.314 0.439 20 30 BCEDRO CNC(NC[C@@H](n1cccn1)C(F)(F)F)=[NH+]C ZINC000864356446 589355113 /nfs/dbraw/zinc/35/51/13/589355113.db2.gz OMTWTIWBZKZVNI-SSDOTTSWSA-N 1 0 249.240 0.781 20 30 BCEDRO CNC(NC[C@H](n1cccn1)C(F)(F)F)=[NH+]C ZINC000864356447 589355153 /nfs/dbraw/zinc/35/51/53/589355153.db2.gz OMTWTIWBZKZVNI-ZETCQYMHSA-N 1 0 249.240 0.781 20 30 BCEDRO CCNC(NCCN(C)CC(F)F)=[NH+]CC ZINC000864358253 589355503 /nfs/dbraw/zinc/35/55/03/589355503.db2.gz QJFRDILEXMQOMV-UHFFFAOYSA-N 1 0 236.310 0.758 20 30 BCEDRO CNC(NCc1cc2c([nH]c1=O)CCCC2)=[NH+]C ZINC000864358439 589355586 /nfs/dbraw/zinc/35/55/86/589355586.db2.gz ZZGOXYDWARDDAY-UHFFFAOYSA-N 1 0 248.330 0.961 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000864422398 589361471 /nfs/dbraw/zinc/36/14/71/589361471.db2.gz INGPGCFFNUSQLY-QWRGUYRKSA-N 1 0 223.320 0.908 20 30 BCEDRO C#CCSCCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864461123 589368979 /nfs/dbraw/zinc/36/89/79/589368979.db2.gz MHBLXTYHFLPNSH-RKDXNWHRSA-N 1 0 211.334 0.875 20 30 BCEDRO C[C@@H](CNC(=O)c1coc(C#N)c1)[NH+](C)C ZINC000864827477 589397263 /nfs/dbraw/zinc/39/72/63/589397263.db2.gz ICOLWJFSLQBSKC-QMMMGPOBSA-N 1 0 221.260 0.831 20 30 BCEDRO C#CCNC(=S)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000865267597 589417443 /nfs/dbraw/zinc/41/74/43/589417443.db2.gz RMVVUWYXNGPJTQ-QWRGUYRKSA-N 1 0 237.372 0.520 20 30 BCEDRO C=CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000865344495 589423039 /nfs/dbraw/zinc/42/30/39/589423039.db2.gz LOTACAXLKCQKBG-NXEZZACHSA-N 1 0 209.293 0.708 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865527141 589443384 /nfs/dbraw/zinc/44/33/84/589443384.db2.gz GLZTXZQDXYGZDJ-LBPRGKRZSA-N 1 0 246.314 0.995 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000865737758 589459598 /nfs/dbraw/zinc/45/95/98/589459598.db2.gz DUDWFEGNUUEVNY-ZYGVAYEYSA-N 1 0 226.320 0.790 20 30 BCEDRO C#Cc1ccc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc1 ZINC000865738338 589459828 /nfs/dbraw/zinc/45/98/28/589459828.db2.gz LLJWUPAHGNYHKP-ZWNOBZJWSA-N 1 0 219.284 0.499 20 30 BCEDRO N#Cc1cc(C(=O)N2CC([NH+]3CCCC3)C2)c[nH]1 ZINC000866106683 589476584 /nfs/dbraw/zinc/47/65/84/589476584.db2.gz DMDFFBTZCZRSRT-UHFFFAOYSA-N 1 0 244.298 0.807 20 30 BCEDRO N#Cc1c[nH]c(C(=O)N2CC([NH+]3CCCC3)C2)c1 ZINC000866107474 589476611 /nfs/dbraw/zinc/47/66/11/589476611.db2.gz UCUXCMSZCOUBLB-UHFFFAOYSA-N 1 0 244.298 0.807 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3nccnc3C#N)CC[C@@H]21 ZINC000866204963 589479970 /nfs/dbraw/zinc/47/99/70/589479970.db2.gz IHBULMNQCCONBY-JQWIXIFHSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3nccnc3C#N)CC[C@H]21 ZINC000866204965 589480324 /nfs/dbraw/zinc/48/03/24/589480324.db2.gz IHBULMNQCCONBY-ZYHUDNBSSA-N 1 0 243.314 0.879 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866827788 589519607 /nfs/dbraw/zinc/51/96/07/589519607.db2.gz SMJXTUGMFRXCPJ-QWRGUYRKSA-N 1 0 244.360 0.719 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)/C=C\CN1CCOCC1 ZINC000867839481 589536455 /nfs/dbraw/zinc/53/64/55/589536455.db2.gz CGLDEVQUGVSLKZ-FOQNGQEVSA-N 1 0 236.315 0.355 20 30 BCEDRO N#Cc1cc(C(=O)NCC[NH2+]C2CC2)co1 ZINC000867964269 589541740 /nfs/dbraw/zinc/54/17/40/589541740.db2.gz WWBAVLDJKCICSI-UHFFFAOYSA-N 1 0 219.244 0.633 20 30 BCEDRO C[C@@H]1CN(C(=O)c2coc(C#N)c2)C[C@H](C)[NH2+]1 ZINC000867967053 589541786 /nfs/dbraw/zinc/54/17/86/589541786.db2.gz YRFHCDYERWAHCN-DTORHVGOSA-N 1 0 233.271 0.974 20 30 BCEDRO C[C@@H]([NH3+])CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868037224 589545687 /nfs/dbraw/zinc/54/56/87/589545687.db2.gz BUFYZLBFSPRPKM-RNCFNFMXSA-N 1 0 243.310 0.879 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)C1([NH3+])CC1)C2 ZINC000868038543 589545815 /nfs/dbraw/zinc/54/58/15/589545815.db2.gz VSFMUXIXUJPGQR-LBPRGKRZSA-N 1 0 241.294 0.633 20 30 BCEDRO C[C@H]([NH3+])CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868037226 589545958 /nfs/dbraw/zinc/54/59/58/589545958.db2.gz BUFYZLBFSPRPKM-ZANVPECISA-N 1 0 243.310 0.879 20 30 BCEDRO C=CCOCCCC(=O)N1CC[C@@](C)([NH3+])C1 ZINC000868076786 589548344 /nfs/dbraw/zinc/54/83/44/589548344.db2.gz JWWHITDBTZQVQD-GFCCVEGCSA-N 1 0 226.320 0.919 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1coc(C#N)c1 ZINC000868580867 589565506 /nfs/dbraw/zinc/56/55/06/589565506.db2.gz AEGZCLZTWBXSEU-UHFFFAOYSA-N 1 0 245.282 0.836 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(C)(C)F ZINC000869623074 589617503 /nfs/dbraw/zinc/61/75/03/589617503.db2.gz BNKJKHCYVMCHBD-UHFFFAOYSA-N 1 0 202.273 0.969 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CC(C)(C)O)C1 ZINC000869780890 589629604 /nfs/dbraw/zinc/62/96/04/589629604.db2.gz WHXUBIDUJJPPIW-UWVGGRQHSA-N 1 0 239.319 0.107 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@](O)(CC)C1 ZINC000870680673 589683180 /nfs/dbraw/zinc/68/31/80/589683180.db2.gz KCYWBACFCLNXHH-ZDUSSCGKSA-N 1 0 240.347 0.868 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[C@@H]([NH3+])C2)co1 ZINC000870933508 589697930 /nfs/dbraw/zinc/69/79/30/589697930.db2.gz NYPZVCUCJUVJLS-MRVPVSSYSA-N 1 0 205.217 0.324 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)c1coc(C#N)c1 ZINC000870938241 589698823 /nfs/dbraw/zinc/69/88/23/589698823.db2.gz IGAQXMOHKXLBAJ-ZETCQYMHSA-N 1 0 207.233 0.476 20 30 BCEDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1coc(C#N)c1 ZINC000870940034 589699110 /nfs/dbraw/zinc/69/91/10/589699110.db2.gz GYUOOBGZAVTNMD-GZMMTYOYSA-N 1 0 233.271 0.879 20 30 BCEDRO C=CCOCCNC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870956244 589701303 /nfs/dbraw/zinc/70/13/03/589701303.db2.gz OBUFSLMBZGJZPX-UHFFFAOYSA-N 1 0 238.331 0.837 20 30 BCEDRO CON=CC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871360900 589756820 /nfs/dbraw/zinc/75/68/20/589756820.db2.gz MWHLODOEVIWWSO-UHFFFAOYSA-N 1 0 241.335 0.998 20 30 BCEDRO C#CCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000871600921 589773462 /nfs/dbraw/zinc/77/34/62/589773462.db2.gz YZLVVGLUNGEYEE-KOLCDFICSA-N 1 0 207.277 0.203 20 30 BCEDRO C#CCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000871600923 589773535 /nfs/dbraw/zinc/77/35/35/589773535.db2.gz YZLVVGLUNGEYEE-ONGXEEELSA-N 1 0 207.277 0.203 20 30 BCEDRO C#C[C@H](CCC)NC(=[NH2+])N(C)CCOC ZINC000871604422 589773994 /nfs/dbraw/zinc/77/39/94/589773994.db2.gz CCUFIXZUQQMYCU-SNVBAGLBSA-N 1 0 211.309 0.891 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2ccnn2C)C1=O ZINC000871925501 589832792 /nfs/dbraw/zinc/83/27/92/589832792.db2.gz CDAITTANKLRCPY-WDEREUQCSA-N 1 0 248.330 0.858 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000871926971 589833069 /nfs/dbraw/zinc/83/30/69/589833069.db2.gz LXAAXBDOROKFIP-NXEZZACHSA-N 1 0 234.303 0.209 20 30 BCEDRO CC(C)(O)C[C@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000872209942 589893941 /nfs/dbraw/zinc/89/39/41/589893941.db2.gz BSGCZHPVQIOPES-JTQLQIEISA-N 1 0 226.320 0.792 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@H]([NH2+]CCC(N)=O)C2 ZINC000872240686 589899063 /nfs/dbraw/zinc/89/90/63/589899063.db2.gz YYXQURZZRYFKPY-GFCCVEGCSA-N 1 0 229.283 0.490 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC(C)(C)COC ZINC000872243203 589899218 /nfs/dbraw/zinc/89/92/18/589899218.db2.gz KVSYEBKJVUCOQZ-UHFFFAOYSA-N 1 0 240.347 0.778 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC12CCC2 ZINC000872251300 589900678 /nfs/dbraw/zinc/90/06/78/589900678.db2.gz NFFYMVBQUPYJSS-VXGBXAGGSA-N 1 0 237.347 0.725 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000872315290 589909993 /nfs/dbraw/zinc/90/99/93/589909993.db2.gz XKSSJICHAXTKEV-KXUCPTDWSA-N 1 0 244.722 0.561 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2COC[C@@H]2C1 ZINC000872315284 589910275 /nfs/dbraw/zinc/91/02/75/589910275.db2.gz XKSSJICHAXTKEV-AEJSXWLSSA-N 1 0 244.722 0.561 20 30 BCEDRO C#CCOCC[N@H+]1CCN(C)c2ncccc2C1 ZINC000872318841 589911564 /nfs/dbraw/zinc/91/15/64/589911564.db2.gz ALIATMLBSLQBMG-UHFFFAOYSA-N 1 0 245.326 0.983 20 30 BCEDRO CCOC(=O)C1(C)CC(=[NH+]n2cnnc2)C1 ZINC000872323938 589912510 /nfs/dbraw/zinc/91/25/10/589912510.db2.gz FNZWLEQTTWBWMV-UHFFFAOYSA-N 1 0 222.248 0.845 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]N1CCOCC1 ZINC000872328207 589913692 /nfs/dbraw/zinc/91/36/92/589913692.db2.gz PUVXUIDLEXESSS-UHFFFAOYSA-N 1 0 220.276 0.638 20 30 BCEDRO C[NH+]1CCC(C=NNC(=S)NC2CC2)CC1 ZINC000872331361 589913804 /nfs/dbraw/zinc/91/38/04/589913804.db2.gz FUBMXUAUXABRPQ-UHFFFAOYSA-N 1 0 240.376 0.941 20 30 BCEDRO NC(=[NH2+])N=NC1CCc2cccnc2CC1 ZINC000872341604 589915253 /nfs/dbraw/zinc/91/52/53/589915253.db2.gz VLGFDZNTWPTFOD-UHFFFAOYSA-N 1 0 217.276 0.799 20 30 BCEDRO COCCON=CC1CC[NH+](C)CC1 ZINC000872355779 589917765 /nfs/dbraw/zinc/91/77/65/589917765.db2.gz OFZJYRSQWKFATJ-UHFFFAOYSA-N 1 0 200.282 0.977 20 30 BCEDRO C[C@@H]1C(N=NC2=N[C@@H]3CCCC[C@H]3N2)CC[N@@H+]1C ZINC000872359770 589918408 /nfs/dbraw/zinc/91/84/08/589918408.db2.gz ORSTZSFWUNPRIT-YUSALJHKSA-N 1 0 249.362 0.926 20 30 BCEDRO Cc1ccnc(N)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000872364200 589920882 /nfs/dbraw/zinc/92/08/82/589920882.db2.gz FLMGREKDCDSVMG-MRVPVSSYSA-N 1 0 232.291 0.243 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2c[nH]c3ncncc23)N1 ZINC000872364799 589920892 /nfs/dbraw/zinc/92/08/92/589920892.db2.gz UKCZGMVFNPDMQE-SSDOTTSWSA-N 1 0 243.274 0.181 20 30 BCEDRO COc1ccc2c(c1)CCC2=NNC1=[NH+]CCN1 ZINC000872385809 589929176 /nfs/dbraw/zinc/92/91/76/589929176.db2.gz QMQDAMMNTUFCSD-UHFFFAOYSA-N 1 0 244.298 0.894 20 30 BCEDRO C=CCC[N@@H+](C)CN1CC2(COC2)CC1=O ZINC000872599292 589954827 /nfs/dbraw/zinc/95/48/27/589954827.db2.gz LPDKPSLDWKTRTG-UHFFFAOYSA-N 1 0 224.304 0.701 20 30 BCEDRO C#CC1CC[NH+](CN2CC3(COC3)CC2=O)CC1 ZINC000872621116 589956984 /nfs/dbraw/zinc/95/69/84/589956984.db2.gz QQBHXPSTHYOOHG-UHFFFAOYSA-N 1 0 248.326 0.538 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCNC(=O)CC1 ZINC000873129286 589985472 /nfs/dbraw/zinc/98/54/72/589985472.db2.gz KFMDMVCAFAKGMS-GHMZBOCLSA-N 1 0 226.320 0.572 20 30 BCEDRO C#CCNC(=O)C[N@H+]1[C@H](C)CC[C@H]1CC ZINC000124631451 590068213 /nfs/dbraw/zinc/06/82/13/590068213.db2.gz QWAKMSCQIWBBJB-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCNC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000873821148 590073125 /nfs/dbraw/zinc/07/31/25/590073125.db2.gz FDVRURPFKYXDSF-LLVKDONJSA-N 1 0 206.289 0.753 20 30 BCEDRO CC[C@H](O)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000124698606 590075699 /nfs/dbraw/zinc/07/56/99/590075699.db2.gz KDVBKNDZZINOCJ-QWHCGFSZSA-N 1 0 234.299 0.952 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)C[NH+]1CCCC1 ZINC000874150886 590094566 /nfs/dbraw/zinc/09/45/66/590094566.db2.gz NAMKSDYSYRWVHL-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO C#CCN(CC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000874167721 590095734 /nfs/dbraw/zinc/09/57/34/590095734.db2.gz XVCDOKQFUANMKF-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C[C@H](C(=O)N1CCC(C#N)CC1)[NH+](C)C ZINC000874252143 590099649 /nfs/dbraw/zinc/09/96/49/590099649.db2.gz DVLXJTNBQUKIBD-SECBINFHSA-N 1 0 209.293 0.699 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N[C@@H](C#N)C2CC2)C1 ZINC000874448262 590111659 /nfs/dbraw/zinc/11/16/59/590111659.db2.gz PSZYPXCJZJASBN-ONGXEEELSA-N 1 0 221.304 0.747 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N[C@H](C#N)C2CC2)C1 ZINC000874448261 590111977 /nfs/dbraw/zinc/11/19/77/590111977.db2.gz PSZYPXCJZJASBN-MWLCHTKSSA-N 1 0 221.304 0.747 20 30 BCEDRO CC[C@H]1COCCN1CCNC(=O)CC#N ZINC000874706957 590124962 /nfs/dbraw/zinc/12/49/62/590124962.db2.gz BUUHMAVPVGXWKG-JTQLQIEISA-N 1 0 225.292 0.127 20 30 BCEDRO CON=CC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000874831095 590143464 /nfs/dbraw/zinc/14/34/64/590143464.db2.gz XZUNGNXNYCNKSZ-VHSXEESVSA-N 1 0 225.292 0.314 20 30 BCEDRO [NH3+]C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000876513455 590205871 /nfs/dbraw/zinc/20/58/71/590205871.db2.gz MHLJHQOESTVCFW-NSHDSACASA-N 1 0 206.289 0.597 20 30 BCEDRO C[C@H]1CN(C(=O)C#CC(C)(C)C)CC[NH2+]1 ZINC000876529712 590209596 /nfs/dbraw/zinc/20/95/96/590209596.db2.gz KXHDPKYYCNUCJI-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C[C@](C[NH3+])(NC(=O)C#CC1CC1)C1CC1 ZINC000876531002 590210201 /nfs/dbraw/zinc/21/02/01/590210201.db2.gz XQYHVKXXONWGGH-GFCCVEGCSA-N 1 0 206.289 0.643 20 30 BCEDRO C[C@@H]([NH3+])[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000876534785 590210868 /nfs/dbraw/zinc/21/08/68/590210868.db2.gz SYLGYGKZIIBOMG-PWSUYJOCSA-N 1 0 220.316 0.986 20 30 BCEDRO CC(C)(C)C#CC(=O)N[C@H](C[NH3+])C1CC1 ZINC000876537677 590211407 /nfs/dbraw/zinc/21/14/07/590211407.db2.gz YYQNCSUNPAXAJH-SNVBAGLBSA-N 1 0 208.305 0.889 20 30 BCEDRO CN(C)c1ccc(C#N)cc1CN(C)CC(N)=O ZINC000876566345 590216906 /nfs/dbraw/zinc/21/69/06/590216906.db2.gz HIIOGPVREPBGFP-UHFFFAOYSA-N 1 0 246.314 0.541 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCOC ZINC000876591321 590219078 /nfs/dbraw/zinc/21/90/78/590219078.db2.gz GRKOXIVIXCRXBH-VIFPVBQESA-N 1 0 234.727 0.999 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1CCOCC1 ZINC000876592339 590219281 /nfs/dbraw/zinc/21/92/81/590219281.db2.gz HVGDZXRIXSXJCG-SNVBAGLBSA-N 1 0 246.738 0.999 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC(=O)OC ZINC000876595603 590219759 /nfs/dbraw/zinc/21/97/59/590219759.db2.gz IYIHLXOVNQNSQJ-SSDOTTSWSA-N 1 0 234.683 0.136 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C ZINC000876602481 590220698 /nfs/dbraw/zinc/22/06/98/590220698.db2.gz PIDFVNRKOYRNFL-MHSYXAOVSA-N 1 0 202.685 0.981 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)OC(C)C ZINC000876603937 590221342 /nfs/dbraw/zinc/22/13/42/590221342.db2.gz FKXBDSKWBURGCD-QMMMGPOBSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)COC ZINC000876622300 590222969 /nfs/dbraw/zinc/22/29/69/590222969.db2.gz DXIRSVVIRBHFGL-APPZFPTMSA-N 1 0 234.727 0.855 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@H](O)CC ZINC000876636931 590224360 /nfs/dbraw/zinc/22/43/60/590224360.db2.gz NMSGRPDLGJOZMO-RKDXNWHRSA-N 1 0 234.727 0.734 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CCO)C(C)C ZINC000876656028 590226673 /nfs/dbraw/zinc/22/66/73/590226673.db2.gz CAAZWZYYNBPYRV-VHSXEESVSA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@]1(C)CCOC1 ZINC000876658849 590227315 /nfs/dbraw/zinc/22/73/15/590227315.db2.gz HVNVZPARWKSVAB-MWLCHTKSSA-N 1 0 246.738 0.999 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@]1(C)CCOC1 ZINC000876658847 590227407 /nfs/dbraw/zinc/22/74/07/590227407.db2.gz HVNVZPARWKSVAB-GXSJLCMTSA-N 1 0 246.738 0.999 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](O)CC(C)C ZINC000876675130 590229227 /nfs/dbraw/zinc/22/92/27/590229227.db2.gz DLQCFOZSKQLHSS-UWVGGRQHSA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)C[C@@H](C)O ZINC000876676314 590229337 /nfs/dbraw/zinc/22/93/37/590229337.db2.gz NQKDBICSKOYILH-QNSHHTMESA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@H]1CCOC1 ZINC000876696840 590231663 /nfs/dbraw/zinc/23/16/63/590231663.db2.gz ZIIDNVIPQSGBOR-NXEZZACHSA-N 1 0 246.738 0.951 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@]1(OC)CCOC1 ZINC000876744915 590236292 /nfs/dbraw/zinc/23/62/92/590236292.db2.gz HCCNJBJUULYUJF-LBPRGKRZSA-N 1 0 207.273 0.360 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)Cc1cn[nH]c1 ZINC000876766480 590239771 /nfs/dbraw/zinc/23/97/71/590239771.db2.gz LFGJPPLJWYIGBM-SECBINFHSA-N 1 0 242.710 0.838 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)C[NH3+] ZINC000876788239 590241100 /nfs/dbraw/zinc/24/11/00/590241100.db2.gz YCBXQQPEEQIMGX-POYBYMJQSA-N 1 0 219.716 0.167 20 30 BCEDRO C[C@@H]1CN(C(=O)C#CC2CC2)[C@H](C)C[NH2+]1 ZINC000876796742 590242441 /nfs/dbraw/zinc/24/24/41/590242441.db2.gz NIGFXGBHSGGTSJ-NXEZZACHSA-N 1 0 206.289 0.609 20 30 BCEDRO CCO[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)C1CC1 ZINC000876801816 590243074 /nfs/dbraw/zinc/24/30/74/590243074.db2.gz JHUVUOAZBSUYIX-AXFHLTTASA-N 1 0 237.303 0.029 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccnc1F ZINC000876801436 590243095 /nfs/dbraw/zinc/24/30/95/590243095.db2.gz CFEBNPWTXQMGFH-VXNVDRBHSA-N 1 0 234.234 0.062 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn(C2CC2)c1 ZINC000876801350 590243115 /nfs/dbraw/zinc/24/31/15/590243115.db2.gz BLOGLAGXUJKVDS-KWQFWETISA-N 1 0 245.286 0.059 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C12CC(C1)C2 ZINC000876801402 590243132 /nfs/dbraw/zinc/24/31/32/590243132.db2.gz BVICUPAEZNHEDL-UVCIYIGYSA-N 1 0 205.261 0.014 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)[C@H](C)O1 ZINC000876802253 590243167 /nfs/dbraw/zinc/24/31/67/590243167.db2.gz NMZUPDJAXOMVGW-NZHYYXIDSA-N 1 0 237.303 0.028 20 30 BCEDRO CNc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801917 590243186 /nfs/dbraw/zinc/24/31/86/590243186.db2.gz KJSLBJONDHTXES-BXKDBHETSA-N 1 0 244.298 0.570 20 30 BCEDRO COC1(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCC1 ZINC000876802151 590243256 /nfs/dbraw/zinc/24/32/56/590243256.db2.gz MDTBBWCMISILAR-UWVGGRQHSA-N 1 0 237.303 0.173 20 30 BCEDRO C[C@@]1(CNC(=O)C#CC2CC2)CCC[NH2+]C1 ZINC000876800865 590243300 /nfs/dbraw/zinc/24/33/00/590243300.db2.gz WFPMVKSDHWLKAA-CYBMUJFWSA-N 1 0 220.316 0.906 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cnn(C2CC2)c1 ZINC000876801349 590243421 /nfs/dbraw/zinc/24/34/21/590243421.db2.gz BLOGLAGXUJKVDS-KCJUWKMLSA-N 1 0 245.286 0.059 20 30 BCEDRO CCOC1CC(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000876801553 590243459 /nfs/dbraw/zinc/24/34/59/590243459.db2.gz FIWLVHFUEWOQBZ-DJRKXVOMSA-N 1 0 237.303 0.029 20 30 BCEDRO CCn1ncc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1C ZINC000876801465 590243488 /nfs/dbraw/zinc/24/34/88/590243488.db2.gz CXFWCBFHTWAVKA-GXSJLCMTSA-N 1 0 247.302 0.053 20 30 BCEDRO CC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC(F)(F)C1 ZINC000876803892 590243727 /nfs/dbraw/zinc/24/37/27/590243727.db2.gz YUODRKMIRNEQHT-JGVFFNPUSA-N 1 0 243.257 0.650 20 30 BCEDRO CC1=C(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCCO1 ZINC000876803389 590243885 /nfs/dbraw/zinc/24/38/85/590243885.db2.gz WEPKCWCHTUAJRT-GXSJLCMTSA-N 1 0 235.287 0.299 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@]12C[C@H]1CCCC2 ZINC000876803906 590243971 /nfs/dbraw/zinc/24/39/71/590243971.db2.gz YYTWPEDEHAJLJM-HNCHTBHHSA-N 1 0 233.315 0.794 20 30 BCEDRO CC(C)c1nocc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876803337 590243981 /nfs/dbraw/zinc/24/39/81/590243981.db2.gz VVITZKVCEDUWLC-WCBMZHEXSA-N 1 0 248.286 0.639 20 30 BCEDRO CCC[C@H](OCC)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876803914 590244010 /nfs/dbraw/zinc/24/40/10/590244010.db2.gz ZKROLSMPQNITNH-MXWKQRLJSA-N 1 0 239.319 0.419 20 30 BCEDRO CCCc1nc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)co1 ZINC000876803177 590244026 /nfs/dbraw/zinc/24/40/26/590244026.db2.gz UWGCPWJPXQYTEM-IUCAKERBSA-N 1 0 248.286 0.468 20 30 BCEDRO CC(C)c1nocc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876803329 590244059 /nfs/dbraw/zinc/24/40/59/590244059.db2.gz VVITZKVCEDUWLC-PSASIEDQSA-N 1 0 248.286 0.639 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@]1(C)CCOC1 ZINC000876806242 590244329 /nfs/dbraw/zinc/24/43/29/590244329.db2.gz LVGMHJWUPJBQGD-SCZZXKLOSA-N 1 0 232.711 0.752 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000876830915 590247274 /nfs/dbraw/zinc/24/72/74/590247274.db2.gz ALRCSZZWEIYLDK-GUBZILKMSA-N 1 0 245.754 0.665 20 30 BCEDRO O=C(C#CC1CC1)N[C@H]1CC12CC[NH2+]CC2 ZINC000876855983 590249936 /nfs/dbraw/zinc/24/99/36/590249936.db2.gz IFGSBOICOSMBFX-NSHDSACASA-N 1 0 218.300 0.658 20 30 BCEDRO N#CC1(C(=O)N[C@H]2C[NH2+]CCC2(F)F)CCC1 ZINC000876866823 590251352 /nfs/dbraw/zinc/25/13/52/590251352.db2.gz YDMOUEUSMNCVFN-QMMMGPOBSA-N 1 0 243.257 0.794 20 30 BCEDRO CN(C(=O)C#CC1CC1)C1(C[NH3+])CCC1 ZINC000876868112 590251471 /nfs/dbraw/zinc/25/14/71/590251471.db2.gz WQTUTOAPDCGAOW-UHFFFAOYSA-N 1 0 206.289 0.740 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)N(C)CC ZINC000876897966 590255581 /nfs/dbraw/zinc/25/55/81/590255581.db2.gz OVWWPRRKCNECNI-QMMMGPOBSA-N 1 0 247.726 0.051 20 30 BCEDRO [NH3+][C@@H]1CCCC[C@H]1NC(=O)C#CC1CC1 ZINC000876933145 590258649 /nfs/dbraw/zinc/25/86/49/590258649.db2.gz GNTKLEOKGSTMSY-GHMZBOCLSA-N 1 0 206.289 0.786 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876932883 590258656 /nfs/dbraw/zinc/25/86/56/590258656.db2.gz YROUNOISJHZODX-LNFKQOIKSA-N 1 0 239.294 0.742 20 30 BCEDRO C#CCNC(=O)[C@H]([NH3+])c1cccc(OC)c1 ZINC000876944072 590259572 /nfs/dbraw/zinc/25/95/72/590259572.db2.gz XPFHUGUULAAZJW-LLVKDONJSA-N 1 0 218.256 0.444 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)C#CC1CC1 ZINC000876952421 590260260 /nfs/dbraw/zinc/26/02/60/590260260.db2.gz OVPZKQRDNPLEGX-GXSJLCMTSA-N 1 0 206.289 0.738 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC/C=C/CO ZINC000876962006 590261370 /nfs/dbraw/zinc/26/13/70/590261370.db2.gz YDNODVZNAYMNPU-UFUPEUMYSA-N 1 0 218.684 0.121 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876976665 590263392 /nfs/dbraw/zinc/26/33/92/590263392.db2.gz OBTIOQKLELMZIP-CKYFFXLPSA-N 1 0 239.294 0.696 20 30 BCEDRO C=CCOCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876974729 590263412 /nfs/dbraw/zinc/26/34/12/590263412.db2.gz QZYMKNCYSLHPEV-NXEZZACHSA-N 1 0 230.283 0.253 20 30 BCEDRO C=CCOCCNC(=O)/C=C/[C@H]1CCC[NH2+]C1 ZINC000876974995 590263504 /nfs/dbraw/zinc/26/35/04/590263504.db2.gz ZRNYIOZSCPXSSM-BTDICHCPSA-N 1 0 238.331 0.861 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCOCCF ZINC000876979421 590264278 /nfs/dbraw/zinc/26/42/78/590264278.db2.gz FKBICARGOVNLFE-QMMMGPOBSA-N 1 0 238.690 0.559 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000876994933 590266767 /nfs/dbraw/zinc/26/67/67/590266767.db2.gz SNMDEVQZCABSTH-UWVGGRQHSA-N 1 0 237.303 0.515 20 30 BCEDRO CCN(CC[NH3+])C(=O)c1ccc(C#N)c(OC)c1 ZINC000877006501 590268349 /nfs/dbraw/zinc/26/83/49/590268349.db2.gz LARFDZZMTIEEEU-UHFFFAOYSA-N 1 0 247.298 0.988 20 30 BCEDRO C#CCSCC[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000877047625 590274425 /nfs/dbraw/zinc/27/44/25/590274425.db2.gz BWYUUORTLAWCNO-RYUDHWBXSA-N 1 0 243.372 0.994 20 30 BCEDRO N#Cc1cnc(Cl)c(C[NH2+]CCO)c1 ZINC000877143476 590291883 /nfs/dbraw/zinc/29/18/83/590291883.db2.gz PPXRUAJRJTXSKX-UHFFFAOYSA-N 1 0 211.652 0.689 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@](C)(CC)OC ZINC000877194956 590299341 /nfs/dbraw/zinc/29/93/41/590299341.db2.gz YVTUONHDIVVPEE-NSHDSACASA-N 1 0 249.376 0.992 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@H](CCC)OC ZINC000877195204 590299524 /nfs/dbraw/zinc/29/95/24/590299524.db2.gz DGOCWDQNPOETJF-LLVKDONJSA-N 1 0 249.376 0.992 20 30 BCEDRO CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CCC[C@H]1C#N ZINC000877196794 590299807 /nfs/dbraw/zinc/29/98/07/590299807.db2.gz KIJNDVZZKGAOOP-GARJFASQSA-N 1 0 238.335 0.026 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC2(CC2)C1 ZINC000877242664 590302648 /nfs/dbraw/zinc/30/26/48/590302648.db2.gz VQXCPYCSNZCEDM-AOOOYVTPSA-N 1 0 233.315 0.924 20 30 BCEDRO N#Cc1ccc(N2CCN(C(=O)C[NH3+])CC2)cc1 ZINC000877251142 590303928 /nfs/dbraw/zinc/30/39/28/590303928.db2.gz YVCYYWANKWGKBR-UHFFFAOYSA-N 1 0 244.298 0.166 20 30 BCEDRO COc1ccc(NC(=O)[C@H](C)[NH3+])cc1C#N ZINC000877270186 590304934 /nfs/dbraw/zinc/30/49/34/590304934.db2.gz FRUVSXIEVKEUFD-ZETCQYMHSA-N 1 0 219.244 0.853 20 30 BCEDRO COc1ccc(NC(=O)[C@H]2CC[NH2+]2)cc1C#N ZINC000877270224 590305168 /nfs/dbraw/zinc/30/51/68/590305168.db2.gz GSRYAACPUNOVPV-SNVBAGLBSA-N 1 0 231.255 0.867 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280582 590306492 /nfs/dbraw/zinc/30/64/92/590306492.db2.gz HVUBKRCQLUDXNQ-GHMZBOCLSA-N 1 0 224.304 0.542 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCn2nccc21 ZINC000877293703 590308256 /nfs/dbraw/zinc/30/82/56/590308256.db2.gz UPLULKATSNQBTM-MRVPVSSYSA-N 1 0 240.694 0.700 20 30 BCEDRO C=CC[C@H](CO)[NH2+]CC(C)(C)N1CCOCC1 ZINC000877338098 590318177 /nfs/dbraw/zinc/31/81/77/590318177.db2.gz XHPFDBACZRWOEN-GFCCVEGCSA-N 1 0 242.363 0.624 20 30 BCEDRO C=CCCOCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877391157 590322084 /nfs/dbraw/zinc/32/20/84/590322084.db2.gz HRJWJIZVSKISMK-DGCLKSJQSA-N 1 0 238.331 0.980 20 30 BCEDRO C=CCOCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877395185 590322913 /nfs/dbraw/zinc/32/29/13/590322913.db2.gz IWBQOJCPMVBJCJ-JQWIXIFHSA-N 1 0 224.304 0.590 20 30 BCEDRO C=CCOCC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877395183 590323007 /nfs/dbraw/zinc/32/30/07/590323007.db2.gz IWBQOJCPMVBJCJ-CMPLNLGQSA-N 1 0 224.304 0.590 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]Cc1cnn(C)n1 ZINC000877521892 590346759 /nfs/dbraw/zinc/34/67/59/590346759.db2.gz KKSNKQQRJORDHW-SECBINFHSA-N 1 0 207.281 0.845 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+][C@H]1CCCNC(=O)C1 ZINC000877661053 590386492 /nfs/dbraw/zinc/38/64/92/590386492.db2.gz WDZGQWXYUFFVFC-RYUDHWBXSA-N 1 0 238.331 0.673 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877748895 590412888 /nfs/dbraw/zinc/41/28/88/590412888.db2.gz DMZHZWUMNSDDDV-AXFHLTTASA-N 1 0 212.293 0.354 20 30 BCEDRO CC(C)(CCC#N)C[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000877764441 590420207 /nfs/dbraw/zinc/42/02/07/590420207.db2.gz FEMGMZRLVDCVMP-TXEJJXNPSA-N 1 0 240.347 0.849 20 30 BCEDRO C=CC[C@H](C(=O)OC)N1CCO[C@H](C)C1 ZINC000877896397 590441511 /nfs/dbraw/zinc/44/15/11/590441511.db2.gz ZFFISXCTCAVOIS-NXEZZACHSA-N 1 0 213.277 0.825 20 30 BCEDRO C[N@H+](CCn1cnnn1)Cc1ccc(C#N)cc1 ZINC000877917478 590446615 /nfs/dbraw/zinc/44/66/15/590446615.db2.gz VISNBVZTZOYGPK-UHFFFAOYSA-N 1 0 242.286 0.677 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@H](CO)C1 ZINC000877934576 590451330 /nfs/dbraw/zinc/45/13/30/590451330.db2.gz CRQPICAZKVGJQX-WDEREUQCSA-N 1 0 227.304 0.808 20 30 BCEDRO CC(C)(C)CN(CCC#N)CCn1cnnn1 ZINC000878121919 590499686 /nfs/dbraw/zinc/49/96/86/590499686.db2.gz RBRJOAXQKKSAQZ-UHFFFAOYSA-N 1 0 236.323 0.935 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@H+](CC)CCCO ZINC000878150930 590507156 /nfs/dbraw/zinc/50/71/56/590507156.db2.gz KYZFDUYFPMCGLS-SNVBAGLBSA-N 1 0 215.293 0.808 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000878172971 590514997 /nfs/dbraw/zinc/51/49/97/590514997.db2.gz PRVXHSKXYISIKL-LLVKDONJSA-N 1 0 239.363 0.833 20 30 BCEDRO CC(C)[C@H](O)CC[NH+]1CCN(CCC#N)CC1 ZINC000878312325 590541242 /nfs/dbraw/zinc/54/12/42/590541242.db2.gz JGFWOAJJXMSQEE-CYBMUJFWSA-N 1 0 239.363 0.925 20 30 BCEDRO C#C[C@H]([NH2+]CCN(C#N)CC)[C@H]1CCCO1 ZINC000878454184 590570215 /nfs/dbraw/zinc/57/02/15/590570215.db2.gz VBVPNBSQMRJKKZ-NWDGAFQWSA-N 1 0 221.304 0.560 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000878465288 590572943 /nfs/dbraw/zinc/57/29/43/590572943.db2.gz QTSAWNGXNNNDRR-RYUDHWBXSA-N 1 0 212.337 0.949 20 30 BCEDRO N#CCC1(C[N@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000878482347 590577620 /nfs/dbraw/zinc/57/76/20/590577620.db2.gz PEHBIIPNBAFBJC-CMPLNLGQSA-N 1 0 206.289 0.994 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000878518031 590585163 /nfs/dbraw/zinc/58/51/63/590585163.db2.gz YYYJXSAXBRHNQD-WCFLWFBJSA-N 1 0 225.332 0.852 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000878543700 590589204 /nfs/dbraw/zinc/58/92/04/590589204.db2.gz GUCCSXMOLMCGBZ-CABZTGNLSA-N 1 0 240.303 0.301 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CCc2nnnn2C)C1 ZINC000878761648 590619242 /nfs/dbraw/zinc/61/92/42/590619242.db2.gz QMAAHYXVPXGTLM-NSHDSACASA-N 1 0 233.319 0.488 20 30 BCEDRO CC(C)[C@H](O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000878760639 590619443 /nfs/dbraw/zinc/61/94/43/590619443.db2.gz CXIYGPAAVNLCTE-NEPJUHHUSA-N 1 0 226.320 0.744 20 30 BCEDRO C#CCC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000878772054 590620461 /nfs/dbraw/zinc/62/04/61/590620461.db2.gz DBSVAEDMDIFNAH-VXGBXAGGSA-N 1 0 205.305 0.928 20 30 BCEDRO C[C@@H]1C[N@@H+](C[C@H](O)C2CC2)C[C@H](C)N1CC#N ZINC000878772342 590621049 /nfs/dbraw/zinc/62/10/49/590621049.db2.gz LFEITQSJFNRZKV-LOWVWBTDSA-N 1 0 237.347 0.675 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCc2nnnn2C)C1 ZINC000878844253 590631017 /nfs/dbraw/zinc/63/10/17/590631017.db2.gz UXZZGRILSNOAOE-JTQLQIEISA-N 1 0 219.292 0.098 20 30 BCEDRO C#CCNC(=O)CCN(C)Cc1ccns1 ZINC000878900173 590644037 /nfs/dbraw/zinc/64/40/37/590644037.db2.gz XQTMCCDUCLIJID-UHFFFAOYSA-N 1 0 237.328 0.714 20 30 BCEDRO C#CCN(Cc1ccnn1C)C1CSC1 ZINC000878909017 590644529 /nfs/dbraw/zinc/64/45/29/590644529.db2.gz HCNVSIRUVPCLTC-UHFFFAOYSA-N 1 0 221.329 0.971 20 30 BCEDRO C#CC[N@@H+](CC[C@H]1CCNC1=O)C1CSC1 ZINC000878910749 590646791 /nfs/dbraw/zinc/64/67/91/590646791.db2.gz SNKRQXSQBBBOBX-SNVBAGLBSA-N 1 0 238.356 0.563 20 30 BCEDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000878980799 590668473 /nfs/dbraw/zinc/66/84/73/590668473.db2.gz FMXJMPWHQUKSSW-BXKDBHETSA-N 1 0 236.271 0.469 20 30 BCEDRO C#CCCC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000878987128 590669636 /nfs/dbraw/zinc/66/96/36/590669636.db2.gz NCFOTNODYFABCO-GFCCVEGCSA-N 1 0 234.303 0.392 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC2(COC2)C1 ZINC000878991779 590670581 /nfs/dbraw/zinc/67/05/81/590670581.db2.gz MJODNWJOQRJQJZ-JTQLQIEISA-N 1 0 225.288 0.826 20 30 BCEDRO C#CCC[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879043429 590686026 /nfs/dbraw/zinc/68/60/26/590686026.db2.gz HTTSANNNMDEBFZ-JTQLQIEISA-N 1 0 212.268 0.545 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000879056815 590688284 /nfs/dbraw/zinc/68/82/84/590688284.db2.gz UYBJNHUQNZSRBD-AXFHLTTASA-N 1 0 227.304 0.807 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(SC)CC1 ZINC000879098365 590696172 /nfs/dbraw/zinc/69/61/72/590696172.db2.gz CEMNWMMHMJNIGY-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO C#CC[N@H+](CC1CC1)[C@@H](C(N)=O)C1CC1 ZINC000879494606 590781869 /nfs/dbraw/zinc/78/18/69/590781869.db2.gz SLTYXKCRZBHHOZ-LLVKDONJSA-N 1 0 206.289 0.596 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533985 590794961 /nfs/dbraw/zinc/79/49/61/590794961.db2.gz KSHKCNJLQHXFOU-LPEHRKFASA-N 1 0 235.287 0.225 20 30 BCEDRO C#CCCCCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879537085 590796959 /nfs/dbraw/zinc/79/69/59/590796959.db2.gz RDICWEXTSBNOAG-TXEJJXNPSA-N 1 0 248.326 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1 0 224.304 0.542 20 30 BCEDRO C=C(C)C[NH+]1CCC(C(=O)NOC)CC1 ZINC000879922092 590889102 /nfs/dbraw/zinc/88/91/02/590889102.db2.gz ZMSBZGVJXUTIJZ-UHFFFAOYSA-N 1 0 212.293 0.952 20 30 BCEDRO CC#CC[NH+]1CCC2(CCNC2=O)CC1 ZINC000879917469 590889746 /nfs/dbraw/zinc/88/97/46/590889746.db2.gz FQIVIRHPIDRQHB-UHFFFAOYSA-N 1 0 206.289 0.612 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(C(=O)NOC)CC1 ZINC000879924838 590891094 /nfs/dbraw/zinc/89/10/94/590891094.db2.gz VNJZPIJAUMDQJO-NSHDSACASA-N 1 0 242.319 0.313 20 30 BCEDRO CCC#C[C@@H](C)[NH+]1CCC(CO)(CO)CC1 ZINC000879970574 590900861 /nfs/dbraw/zinc/90/08/61/590900861.db2.gz WFVKQYVHYMFKHV-GFCCVEGCSA-N 1 0 225.332 0.855 20 30 BCEDRO N#CCCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880069687 590916490 /nfs/dbraw/zinc/91/64/90/590916490.db2.gz UEIRKERAQQJZQZ-QWHCGFSZSA-N 1 0 237.347 0.821 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C1(COC)CCC1 ZINC000880185482 590953274 /nfs/dbraw/zinc/95/32/74/590953274.db2.gz PWAYQKZOUICLEF-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880211023 590958563 /nfs/dbraw/zinc/95/85/63/590958563.db2.gz HQTRMNMCRXZBJA-ZDUSSCGKSA-N 1 0 222.332 0.853 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](CF)C1 ZINC000880290981 590985404 /nfs/dbraw/zinc/98/54/04/590985404.db2.gz AIGFXZLRAIDSFS-SECBINFHSA-N 1 0 200.257 0.580 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](CF)C1 ZINC000880290736 590986472 /nfs/dbraw/zinc/98/64/72/590986472.db2.gz CACLYLKYVFETMQ-VHSXEESVSA-N 1 0 212.268 0.416 20 30 BCEDRO C=C(CC)C[N@H+](CC(N)=O)C1CCOCC1 ZINC000880394921 591018988 /nfs/dbraw/zinc/01/89/88/591018988.db2.gz ZAIKAZHHXYRHQW-UHFFFAOYSA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCCCN1CCC(=O)NCC12COC2 ZINC000880400070 591020958 /nfs/dbraw/zinc/02/09/58/591020958.db2.gz NKWLDDONVPWQLX-UHFFFAOYSA-N 1 0 224.304 0.544 20 30 BCEDRO COCC#CC[N@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880432681 591035387 /nfs/dbraw/zinc/03/53/87/591035387.db2.gz GUEYDUIWYUSDMY-VXGBXAGGSA-N 1 0 227.304 0.372 20 30 BCEDRO C#CCC1(O)CC[NH+]([C@@H](CO)C(=C)C)CC1 ZINC000880481020 591049881 /nfs/dbraw/zinc/04/98/81/591049881.db2.gz KXXXYSCDVZMYRR-LBPRGKRZSA-N 1 0 223.316 0.774 20 30 BCEDRO C#CCC1(O)CC[NH+]([C@H](CO)C(=C)C)CC1 ZINC000880481019 591049937 /nfs/dbraw/zinc/04/99/37/591049937.db2.gz KXXXYSCDVZMYRR-GFCCVEGCSA-N 1 0 223.316 0.774 20 30 BCEDRO C#CCNC(=O)CN1CCC(C)([NH+]2CCC2)CC1 ZINC000880471377 591051673 /nfs/dbraw/zinc/05/16/73/591051673.db2.gz ZKPXHNIZHKKQJX-UHFFFAOYSA-N 1 0 249.358 0.296 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CC)[C@H]1CCCOC1 ZINC000880463484 591052270 /nfs/dbraw/zinc/05/22/70/591052270.db2.gz SYDVRCFTEYYZTK-NWDGAFQWSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCC1(O)CC[NH+](CC(=O)NC(C)C)CC1 ZINC000880477176 591054009 /nfs/dbraw/zinc/05/40/09/591054009.db2.gz MNVAVDHCMCWWMM-UHFFFAOYSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@H]2COCCO2)CC1 ZINC000880483789 591056541 /nfs/dbraw/zinc/05/65/41/591056541.db2.gz KNCHFYATIWARKT-LBPRGKRZSA-N 1 0 239.315 0.252 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[N@H+]2CC=C[C@@H]2CO)cc1 ZINC000880486385 591060676 /nfs/dbraw/zinc/06/06/76/591060676.db2.gz BGKWULCGCHLOKO-KGLIPLIRSA-N 1 0 244.294 0.824 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880522734 591083169 /nfs/dbraw/zinc/08/31/69/591083169.db2.gz CAAFRGAAZBEQAG-WDEREUQCSA-N 1 0 206.289 0.610 20 30 BCEDRO COC(=O)[C@]1(O)CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000880565137 591087020 /nfs/dbraw/zinc/08/70/20/591087020.db2.gz BUUXBDDKTWYYQK-KOLCDFICSA-N 1 0 226.276 0.288 20 30 BCEDRO COC(=O)[C@@]1(O)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000880566788 591095326 /nfs/dbraw/zinc/09/53/26/591095326.db2.gz AWLGREQKBZUSCE-GFCCVEGCSA-N 1 0 238.287 0.290 20 30 BCEDRO COC(=O)[C@]1(O)CC[N@H+](CCC(C)(C)C#N)C1 ZINC000880566351 591097092 /nfs/dbraw/zinc/09/70/92/591097092.db2.gz HRIHTOVKNCPBFN-LBPRGKRZSA-N 1 0 240.303 0.536 20 30 BCEDRO COCCOCCO[NH+]=C(N)C(C)C ZINC000128509158 591097908 /nfs/dbraw/zinc/09/79/08/591097908.db2.gz HGHOCRJPBJDKLQ-UHFFFAOYSA-N 1 0 204.270 0.594 20 30 BCEDRO CC(C)C[C@@H](C(N)=O)[N@H+](C)CCO[C@@H](C)C#N ZINC000880589705 591101822 /nfs/dbraw/zinc/10/18/22/591101822.db2.gz FDUZOTGQXCYFRH-QWRGUYRKSA-N 1 0 241.335 0.747 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H](CC(C)C)C(N)=O ZINC000880591253 591103541 /nfs/dbraw/zinc/10/35/41/591103541.db2.gz DFONUXBMNZCJFR-NSHDSACASA-N 1 0 226.320 0.468 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)NCCC#CC)C1 ZINC000888828875 591122272 /nfs/dbraw/zinc/12/22/72/591122272.db2.gz PXPWQKVKCPNTGK-ZDUSSCGKSA-N 1 0 247.342 0.797 20 30 BCEDRO C=CCN(CC=C)C(=O)Cn1cc([C@@H](C)[NH3+])nn1 ZINC000880984842 591156411 /nfs/dbraw/zinc/15/64/11/591156411.db2.gz DCJPSLVNTHFZQL-SNVBAGLBSA-N 1 0 249.318 0.498 20 30 BCEDRO C=CCNC(=O)[C@@H](C)n1cc([C@@H](C)[NH3+])nn1 ZINC000881109647 591164052 /nfs/dbraw/zinc/16/40/52/591164052.db2.gz UMKBCFMUECDIJC-HTQZYQBOSA-N 1 0 223.280 0.161 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc([C@@H](C)[NH3+])nn1 ZINC000881320370 591189684 /nfs/dbraw/zinc/18/96/84/591189684.db2.gz JDCLFZNQLNYKOL-HTRCEHHLSA-N 1 0 210.237 0.198 20 30 BCEDRO C[C@H](C#N)OCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000881323223 591190401 /nfs/dbraw/zinc/19/04/01/591190401.db2.gz DKZWGZBJNJQRQN-GHMZBOCLSA-N 1 0 249.318 0.674 20 30 BCEDRO CC(C)[C@H]([NH3+])c1cn(CCO[C@H](C)C#N)nn1 ZINC000881323687 591190610 /nfs/dbraw/zinc/19/06/10/591190610.db2.gz NXBXWIGDHHPFLR-KOLCDFICSA-N 1 0 237.307 0.863 20 30 BCEDRO C[C@@H](C#N)OCCn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000881323724 591191059 /nfs/dbraw/zinc/19/10/59/591191059.db2.gz OMPDPLYPVRJMKX-QWRGUYRKSA-N 1 0 249.318 0.359 20 30 BCEDRO C=C(Br)Cn1cc(C[NH2+]C)nn1 ZINC000881428892 591204531 /nfs/dbraw/zinc/20/45/31/591204531.db2.gz IJHIWHXQXZSFPO-UHFFFAOYSA-N 1 0 231.097 0.906 20 30 BCEDRO C=C(Br)Cn1cc(CC[NH3+])nn1 ZINC000881428102 591204553 /nfs/dbraw/zinc/20/45/53/591204553.db2.gz UCGGXFXMGRWSNR-UHFFFAOYSA-N 1 0 231.097 0.688 20 30 BCEDRO C#CCC[NH+]1CCN(c2cc(CO)ccn2)CC1 ZINC000881913594 591278235 /nfs/dbraw/zinc/27/82/35/591278235.db2.gz QJPHZEHVBMSRGT-UHFFFAOYSA-N 1 0 245.326 0.719 20 30 BCEDRO C#CC1(F)CN(C(=O)C[NH+](CC)CC)C1 ZINC000881943227 591281740 /nfs/dbraw/zinc/28/17/40/591281740.db2.gz UIIPCMZEGZKGCK-UHFFFAOYSA-N 1 0 212.268 0.512 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC ZINC000882486721 591362931 /nfs/dbraw/zinc/36/29/31/591362931.db2.gz VDHZOJZEDNAYAM-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000882491661 591369462 /nfs/dbraw/zinc/36/94/62/591369462.db2.gz IMFFDCXLKHIZRQ-NSHDSACASA-N 1 0 244.298 0.777 20 30 BCEDRO Cc1ccc(NCC[N@@H+]2CC[C@H](O)C2)c(C#N)n1 ZINC000882672534 591408931 /nfs/dbraw/zinc/40/89/31/591408931.db2.gz OVAYGVDVOQUOEC-NSHDSACASA-N 1 0 246.314 0.740 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000129876764 591414765 /nfs/dbraw/zinc/41/47/65/591414765.db2.gz QOEJHIPDBPMTLX-PSASIEDQSA-N 1 0 209.293 0.874 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000882893655 591466749 /nfs/dbraw/zinc/46/67/49/591466749.db2.gz ZBVPLFDFTKCLJK-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C[NH+](CC)CC ZINC000882893577 591467052 /nfs/dbraw/zinc/46/70/52/591467052.db2.gz XJYDNLPPXXRDSY-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)[C@H](CC)[NH+](C)C ZINC000882896670 591468740 /nfs/dbraw/zinc/46/87/40/591468740.db2.gz OEZTZVFSJYTQHB-QWRGUYRKSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000882902818 591471455 /nfs/dbraw/zinc/47/14/55/591471455.db2.gz PKHGEWVBMQDCJZ-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883125603 591544439 /nfs/dbraw/zinc/54/44/39/591544439.db2.gz OEXMUTZKTQEFEV-RYUDHWBXSA-N 1 0 224.348 0.833 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000883125319 591544544 /nfs/dbraw/zinc/54/45/44/591544544.db2.gz FFZDHSLZNJZOIE-ZNSHCXBVSA-N 1 0 225.288 0.158 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883125601 591545055 /nfs/dbraw/zinc/54/50/55/591545055.db2.gz OEXMUTZKTQEFEV-NEPJUHHUSA-N 1 0 224.348 0.833 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1n[nH]cc1C ZINC000883131211 591546428 /nfs/dbraw/zinc/54/64/28/591546428.db2.gz ORYOKBFMEYJRBW-UHFFFAOYSA-N 1 0 220.320 0.763 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1cncnc1OC ZINC000883131042 591546816 /nfs/dbraw/zinc/54/68/16/591546816.db2.gz DAQIWDSQMSCSQH-UHFFFAOYSA-N 1 0 248.330 0.530 20 30 BCEDRO C#CC1(F)CN(C(=O)NC[C@H]2CCC[N@H+]2C)C1 ZINC000883204479 591571595 /nfs/dbraw/zinc/57/15/95/591571595.db2.gz BMFGANCCFFGFLE-SNVBAGLBSA-N 1 0 239.294 0.447 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000883389947 591641108 /nfs/dbraw/zinc/64/11/08/591641108.db2.gz CAEWRHXSPZANTG-GHMZBOCLSA-N 1 0 247.360 0.480 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)Cn1cncn1 ZINC000883392830 591644574 /nfs/dbraw/zinc/64/45/74/591644574.db2.gz PJTFBCUNBJAUCB-GHMZBOCLSA-N 1 0 224.308 0.583 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)Cn1cncn1 ZINC000883392833 591645313 /nfs/dbraw/zinc/64/53/13/591645313.db2.gz PJTFBCUNBJAUCB-WDEREUQCSA-N 1 0 224.308 0.583 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cncn1C ZINC000883400269 591647597 /nfs/dbraw/zinc/64/75/97/591647597.db2.gz ILANPRWVCPQDST-JTQLQIEISA-N 1 0 209.293 0.837 20 30 BCEDRO C#CCCCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000132310846 591700506 /nfs/dbraw/zinc/70/05/06/591700506.db2.gz AACLWDSHLBGLBH-JTQLQIEISA-N 1 0 217.334 0.813 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]C2)[nH]1 ZINC000884016626 591800603 /nfs/dbraw/zinc/80/06/03/591800603.db2.gz AKXCEVGNEIXPBX-VIFPVBQESA-N 1 0 232.287 0.616 20 30 BCEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000884042718 591824491 /nfs/dbraw/zinc/82/44/91/591824491.db2.gz GWBFUVJGAXYDSJ-GZMMTYOYSA-N 1 0 248.286 0.075 20 30 BCEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cn[nH]c1)C2 ZINC000884089530 591847153 /nfs/dbraw/zinc/84/71/53/591847153.db2.gz RRNGYZFTMOUGRW-XEVUQIKYSA-N 1 0 245.286 0.488 20 30 BCEDRO C=CCOC(=O)[C@@H](N)CC(=O)NC[C@H]1C[C@H]1C ZINC000884082849 591847500 /nfs/dbraw/zinc/84/75/00/591847500.db2.gz WWKHRSGYDZTFPH-BBBLOLIVSA-N 1 0 240.303 0.205 20 30 BCEDRO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@@H](C)C[NH2+]1 ZINC000884244492 591880363 /nfs/dbraw/zinc/88/03/63/591880363.db2.gz GHRVXULUJVDHFI-IUCAKERBSA-N 1 0 232.287 0.709 20 30 BCEDRO CCc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)no1 ZINC000884249682 591883333 /nfs/dbraw/zinc/88/33/33/591883333.db2.gz PNSJKNOBGGNRGB-XVKPBYJWSA-N 1 0 234.259 0.078 20 30 BCEDRO Cc1coc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000884250735 591884219 /nfs/dbraw/zinc/88/42/19/591884219.db2.gz MOCXWDOBFXACPM-IUCAKERBSA-N 1 0 219.244 0.429 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1c[nH]cc1C1CC1 ZINC000884250724 591884348 /nfs/dbraw/zinc/88/43/48/591884348.db2.gz MGDKOJLGSPNWBN-CABZTGNLSA-N 1 0 244.298 0.733 20 30 BCEDRO C=CC(C)(C)CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000884252646 591885607 /nfs/dbraw/zinc/88/56/07/591885607.db2.gz PHZBMMXFRMAYDX-JTQLQIEISA-N 1 0 226.320 0.775 20 30 BCEDRO CC[NH2+][C@H](C)CNC(=O)c1ccc(C#N)[nH]1 ZINC000884275852 591890432 /nfs/dbraw/zinc/89/04/32/591890432.db2.gz XVKJMZHXIWNWIR-MRVPVSSYSA-N 1 0 220.276 0.614 20 30 BCEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884288744 591894979 /nfs/dbraw/zinc/89/49/79/591894979.db2.gz LQAQCVSHRCUISH-CBAPKCEASA-N 1 0 218.260 0.448 20 30 BCEDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)C#CC1CC1 ZINC000884363732 591916500 /nfs/dbraw/zinc/91/65/00/591916500.db2.gz HXHZUKCXWBETLY-NXEZZACHSA-N 1 0 206.289 0.642 20 30 BCEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N[C@H]1C=CCC1)C2 ZINC000884401734 591925697 /nfs/dbraw/zinc/92/56/97/591925697.db2.gz ZPQDFNVQIXWLDP-BEVNXUHPSA-N 1 0 245.326 0.961 20 30 BCEDRO C[C@H]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C[NH2+]1 ZINC000884437631 591933925 /nfs/dbraw/zinc/93/39/25/591933925.db2.gz KBIYRSKOYLXUDU-WPRPVWTQSA-N 1 0 232.287 0.757 20 30 BCEDRO CC(C)C[C@@H]1COCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000884448270 591937305 /nfs/dbraw/zinc/93/73/05/591937305.db2.gz VXOSMYRYAFFOIF-VHSXEESVSA-N 1 0 238.335 0.972 20 30 BCEDRO CC(C)(CO)CNC(=[NH2+])N1CCCCC1 ZINC000135118473 591987362 /nfs/dbraw/zinc/98/73/62/591987362.db2.gz MRZYKKFXUGPISN-UHFFFAOYSA-N 1 0 213.325 0.806 20 30 BCEDRO C[N@H+](CCO)CCNc1ncc(C#N)cc1F ZINC000884825025 592023174 /nfs/dbraw/zinc/02/31/74/592023174.db2.gz AZIJZOAURXEALA-UHFFFAOYSA-N 1 0 238.266 0.428 20 30 BCEDRO CCc1nc(C#N)cc(NCC[N@H+](C)CCO)n1 ZINC000884825157 592023843 /nfs/dbraw/zinc/02/38/43/592023843.db2.gz IGQCSNIHQSCOQK-UHFFFAOYSA-N 1 0 249.318 0.247 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCC[C@H](C)O)CC1 ZINC000136057325 592092206 /nfs/dbraw/zinc/09/22/06/592092206.db2.gz QKWJSSCWJZMRMD-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886028551 592135320 /nfs/dbraw/zinc/13/53/20/592135320.db2.gz RYOAPWWAXOGGBP-ZDUSSCGKSA-N 1 0 230.311 1.000 20 30 BCEDRO C=CCNC(=O)CNCc1[nH]nc(C)c1C ZINC000886057083 592140830 /nfs/dbraw/zinc/14/08/30/592140830.db2.gz FFYQXOMJMJMPFB-UHFFFAOYSA-N 1 0 222.292 0.418 20 30 BCEDRO N#CCCN1CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000886090488 592146553 /nfs/dbraw/zinc/14/65/53/592146553.db2.gz ZQLQRRJLJAMYCB-KGLIPLIRSA-N 1 0 249.358 0.944 20 30 BCEDRO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886094834 592147673 /nfs/dbraw/zinc/14/76/73/592147673.db2.gz ZZOVFQOKJKEIQF-GRYCIOLGSA-N 1 0 238.331 0.886 20 30 BCEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886094836 592148079 /nfs/dbraw/zinc/14/80/79/592148079.db2.gz ZZOVFQOKJKEIQF-UTUOFQBUSA-N 1 0 238.331 0.886 20 30 BCEDRO CC(C)CN(CCC#N)C(=O)C[NH+](C)C ZINC000218033597 592151859 /nfs/dbraw/zinc/15/18/59/592151859.db2.gz NHJVBKLEZVDBFM-UHFFFAOYSA-N 1 0 211.309 0.946 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](CO)C2CC2)CCC1 ZINC000886129552 592159505 /nfs/dbraw/zinc/15/95/05/592159505.db2.gz IFDPKFVFSPTCHK-VXGBXAGGSA-N 1 0 238.331 0.792 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](CO)C2CC2)CCC1 ZINC000886129549 592159933 /nfs/dbraw/zinc/15/99/33/592159933.db2.gz IFDPKFVFSPTCHK-NEPJUHHUSA-N 1 0 238.331 0.792 20 30 BCEDRO C[N@H+](C[C@H](O)CC1(C#N)CCC1)C1CC(O)C1 ZINC000886133983 592160992 /nfs/dbraw/zinc/16/09/92/592160992.db2.gz GZXDZZHIPZJKIN-HTAVTVPLSA-N 1 0 238.331 0.886 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1[nH]nc(C)c1C ZINC000886154098 592164218 /nfs/dbraw/zinc/16/42/18/592164218.db2.gz ZLCHDZPPGFSKFW-NSHDSACASA-N 1 0 221.304 0.890 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1[nH]nc(C)c1C ZINC000886154097 592164397 /nfs/dbraw/zinc/16/43/97/592164397.db2.gz ZLCHDZPPGFSKFW-LLVKDONJSA-N 1 0 221.304 0.890 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2nc(C)c[nH]2)C1 ZINC000886209897 592176500 /nfs/dbraw/zinc/17/65/00/592176500.db2.gz YECGBTVIYZMQER-LBPRGKRZSA-N 1 0 232.331 0.905 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccncc2N)C1 ZINC000886209608 592176737 /nfs/dbraw/zinc/17/67/37/592176737.db2.gz PWXGXVHPAHWRHK-ZDUSSCGKSA-N 1 0 244.342 0.851 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2[nH]ncc2C)C1 ZINC000886211866 592177288 /nfs/dbraw/zinc/17/72/88/592177288.db2.gz ZOWRHJXBFOHHMS-GFCCVEGCSA-N 1 0 232.331 0.905 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CN(C)C[C@H]2C)C1 ZINC000886211157 592177363 /nfs/dbraw/zinc/17/73/63/592177363.db2.gz KFVUYLWVBSUDOF-HZSPNIEDSA-N 1 0 235.375 0.624 20 30 BCEDRO Cc1cc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)ccc1C#N ZINC000886254173 592188200 /nfs/dbraw/zinc/18/82/00/592188200.db2.gz ZSTHFBSZERTIBQ-BTTYYORXSA-N 1 0 246.310 0.841 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886334670 592211760 /nfs/dbraw/zinc/21/17/60/592211760.db2.gz ZRCBHBSBMNIAOG-PHIMTYICSA-N 1 0 221.304 0.700 20 30 BCEDRO N#CC1(NC(=O)C[N@@H+]2C[C@@H]3C[C@@H]3C2)CCC1 ZINC000886346448 592213452 /nfs/dbraw/zinc/21/34/52/592213452.db2.gz IQBXFQZJXLUHQB-AOOOYVTPSA-N 1 0 219.288 0.501 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000886354210 592215081 /nfs/dbraw/zinc/21/50/81/592215081.db2.gz YDHYJUQZNGRDQU-WDEREUQCSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000886353085 592215233 /nfs/dbraw/zinc/21/52/33/592215233.db2.gz BGCPHYCWRIZZJA-NXEZZACHSA-N 1 0 237.303 0.176 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000886356052 592215647 /nfs/dbraw/zinc/21/56/47/592215647.db2.gz SNDNBTXSYHUKSF-CHWSQXEVSA-N 1 0 233.315 0.589 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCC(=O)NCC)C1 ZINC000886355668 592216098 /nfs/dbraw/zinc/21/60/98/592216098.db2.gz LSQLRIZVWXWXRB-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCc2cn(C)nn2)C1 ZINC000886365375 592217709 /nfs/dbraw/zinc/21/77/09/592217709.db2.gz HCIOAFATARJSIL-NSHDSACASA-N 1 0 218.304 0.703 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000886364039 592217990 /nfs/dbraw/zinc/21/79/90/592217990.db2.gz MXKFJHYJBFHMEK-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000886364042 592218278 /nfs/dbraw/zinc/21/82/78/592218278.db2.gz MXKFJHYJBFHMEK-VXGBXAGGSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000886365744 592220239 /nfs/dbraw/zinc/22/02/39/592220239.db2.gz OQVRMULCMRFLKA-OCCSQVGLSA-N 1 0 236.359 0.787 20 30 BCEDRO C#CCC1([NH2+]Cc2cnn(CC)n2)CCOCC1 ZINC000886378802 592221299 /nfs/dbraw/zinc/22/12/99/592221299.db2.gz BEECHDUVBNINGV-UHFFFAOYSA-N 1 0 248.330 0.960 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886580219 592268939 /nfs/dbraw/zinc/26/89/39/592268939.db2.gz ADKVCCYPFWGJCQ-ZJUUUORDSA-N 1 0 240.303 0.220 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)CCO)C1 ZINC000886660681 592292992 /nfs/dbraw/zinc/29/29/92/592292992.db2.gz CTZSVGSSPNMZAW-RYUDHWBXSA-N 1 0 210.321 0.445 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)Cn2cncn2)C1 ZINC000886664868 592296092 /nfs/dbraw/zinc/29/60/92/592296092.db2.gz ZKUUCWSWRUWJFR-STQMWFEESA-N 1 0 247.346 0.354 20 30 BCEDRO C=CCC[NH2+]C1(C(=O)NC)CCOCC1 ZINC000887086624 592437331 /nfs/dbraw/zinc/43/73/31/592437331.db2.gz XRYGYUBFQOHPAM-UHFFFAOYSA-N 1 0 212.293 0.447 20 30 BCEDRO C#CCC1([NH2+]C[C@@H](C)CO)CCOCC1 ZINC000887123451 592445866 /nfs/dbraw/zinc/44/58/66/592445866.db2.gz POQBDQZNQXBVRI-LLVKDONJSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CCC1([NH2+]C[C@H]2CNC(=O)C2)CCOCC1 ZINC000887122270 592446715 /nfs/dbraw/zinc/44/67/15/592446715.db2.gz QRSWQYJZPPRCRQ-LLVKDONJSA-N 1 0 236.315 0.285 20 30 BCEDRO C#CCC1([NH2+]C[C@@H](O)COCC)CCOCC1 ZINC000887124531 592447369 /nfs/dbraw/zinc/44/73/69/592447369.db2.gz IMESYOPGSJOPTM-GFCCVEGCSA-N 1 0 241.331 0.546 20 30 BCEDRO C[N@H+](CCCF)CC(=O)NC1(C#N)CCC1 ZINC000887141480 592456516 /nfs/dbraw/zinc/45/65/16/592456516.db2.gz WAUKICPRTFWAAC-UHFFFAOYSA-N 1 0 227.283 0.840 20 30 BCEDRO C#CCNC(=O)N1CCCC[C@@]2(CC[NH2+]C2)C1 ZINC000887281441 592476489 /nfs/dbraw/zinc/47/64/89/592476489.db2.gz YJBLDIKAWQCGCS-ZDUSSCGKSA-N 1 0 235.331 0.795 20 30 BCEDRO CNC(NC[C@H](O)Cc1ccccc1F)=[NH+]C ZINC000887324167 592480726 /nfs/dbraw/zinc/48/07/26/592480726.db2.gz UIJIECRPLONXPO-SNVBAGLBSA-N 1 0 239.294 0.524 20 30 BCEDRO C#C[C@H]([NH2+]CCS(C)(=O)=O)C(C)C ZINC000300797636 592520486 /nfs/dbraw/zinc/52/04/86/592520486.db2.gz DIDMUUVENAESEE-VIFPVBQESA-N 1 0 203.307 0.278 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887674695 592539551 /nfs/dbraw/zinc/53/95/51/592539551.db2.gz HLHCEGLAYJNSCN-LBPRGKRZSA-N 1 0 239.319 0.469 20 30 BCEDRO CC[C@H](C(=O)N1CCO[C@@](C)(C#N)C1)[NH+](C)C ZINC000887678690 592540500 /nfs/dbraw/zinc/54/05/00/592540500.db2.gz HRMKRAFNRXHMJF-PWSUYJOCSA-N 1 0 239.319 0.468 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCO[C@](C)(C#N)C2)C1 ZINC000887677230 592540553 /nfs/dbraw/zinc/54/05/53/592540553.db2.gz SPQAPURWTRYCAB-ZYHUDNBSSA-N 1 0 237.303 0.079 20 30 BCEDRO CC(C)[N@H+](CCOCCO)CCO[C@@H](C)C#N ZINC000302555729 592549180 /nfs/dbraw/zinc/54/91/80/592549180.db2.gz WRFFBUIPQPISAG-LBPRGKRZSA-N 1 0 244.335 0.634 20 30 BCEDRO [NH2+]=C(NCCCn1ccnc1)NCC1CCC1 ZINC000104152611 592602023 /nfs/dbraw/zinc/60/20/23/592602023.db2.gz YGSAQUKUHSUOPW-UHFFFAOYSA-N 1 0 235.335 0.978 20 30 BCEDRO CCCCNC(=[NH2+])NCCCN1CCOCC1 ZINC000104152501 592602235 /nfs/dbraw/zinc/60/22/35/592602235.db2.gz KEPLWHIPDJDWTQ-UHFFFAOYSA-N 1 0 242.367 0.413 20 30 BCEDRO [NH2+]=C(NCCN1CCOCC1)N1CCCCC1 ZINC000104153081 592602251 /nfs/dbraw/zinc/60/22/51/592602251.db2.gz ARZIYGOFQPVBEY-UHFFFAOYSA-N 1 0 240.351 0.119 20 30 BCEDRO COC(=O)CCCCNC(=[NH2+])NCC(C)C ZINC000104181401 592603179 /nfs/dbraw/zinc/60/31/79/592603179.db2.gz SYZSANFSQFTDEK-UHFFFAOYSA-N 1 0 229.324 0.890 20 30 BCEDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCCCN1CCOCC1 ZINC000104174138 592603460 /nfs/dbraw/zinc/60/34/60/592603460.db2.gz GQEQNASLCUKODR-GHMZBOCLSA-N 1 0 240.351 0.021 20 30 BCEDRO CCOCCCNC(=[NH2+])NCc1nc(C)no1 ZINC000104176896 592603552 /nfs/dbraw/zinc/60/35/52/592603552.db2.gz QGQOOCDKTSLSQA-UHFFFAOYSA-N 1 0 241.295 0.209 20 30 BCEDRO COCCOCCCCNC(=[NH2+])NCC(C)C ZINC000104190959 592604507 /nfs/dbraw/zinc/60/45/07/592604507.db2.gz DXQJHJMKEVVBCD-UHFFFAOYSA-N 1 0 245.367 0.990 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000890071447 592677401 /nfs/dbraw/zinc/67/74/01/592677401.db2.gz XMVYGZSEWHOIRH-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1cn(C)cn1 ZINC000890103700 592680546 /nfs/dbraw/zinc/68/05/46/592680546.db2.gz PDGCCDPJOGBZAN-UHFFFAOYSA-N 1 0 236.319 0.544 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000890401479 592695761 /nfs/dbraw/zinc/69/57/61/592695761.db2.gz GJTBBSCWKLVGQI-RYUDHWBXSA-N 1 0 233.315 0.702 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001027335774 634482614 /nfs/dbraw/zinc/48/26/14/634482614.db2.gz JWSYLXBIMCJBFA-NWDGAFQWSA-N 1 0 233.315 0.702 20 30 BCEDRO CC[C@@]1(O)CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000931475658 634502154 /nfs/dbraw/zinc/50/21/54/634502154.db2.gz LLSWZXCQOXUALE-GHMZBOCLSA-N 1 0 212.293 0.498 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(C)=O)C[C@H]2C1 ZINC000979442549 635154358 /nfs/dbraw/zinc/15/43/58/635154358.db2.gz ILAPGFWCDYTGQT-RWMBFGLXSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027407083 634508259 /nfs/dbraw/zinc/50/82/59/634508259.db2.gz ZTPAZKOIHWXJNO-AWEZNQCLSA-N 1 0 244.338 0.956 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C(=C)CC[NH+](C)C ZINC000909373593 634532743 /nfs/dbraw/zinc/53/27/43/634532743.db2.gz AVXAYRPSSHBUTL-LBPRGKRZSA-N 1 0 240.347 0.938 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC3)[C@@H]2C1 ZINC000977667212 634556067 /nfs/dbraw/zinc/55/60/67/634556067.db2.gz AIFYADKZKWNXSB-CNDDSTCGSA-N 1 0 220.316 0.876 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccco3)[C@@H]2C1 ZINC000977743946 634561727 /nfs/dbraw/zinc/56/17/27/634561727.db2.gz XKIHZPSOMYUSOM-CNDDSTCGSA-N 1 0 244.294 0.820 20 30 BCEDRO C[C@H](O)[C@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000336670149 635199860 /nfs/dbraw/zinc/19/98/60/635199860.db2.gz YKHAKWCRCVFTDT-BQBZGAKWSA-N 1 0 211.290 0.874 20 30 BCEDRO CCCNC(=O)CCNC(=[NH2+])N(CC)CC ZINC000104177722 634578941 /nfs/dbraw/zinc/57/89/41/634578941.db2.gz QPEIFRHZCDKBPG-UHFFFAOYSA-N 1 0 228.340 0.559 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cnco3)[C@@H]2C1 ZINC000978557417 634606609 /nfs/dbraw/zinc/60/66/09/634606609.db2.gz PNFJJJMBPPGTHE-RTCCRHLQSA-N 1 0 247.298 0.768 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001010410386 635592801 /nfs/dbraw/zinc/59/28/01/635592801.db2.gz VORQPKKZJQPLIJ-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2nccc(C)n2)C1 ZINC001022015232 631229770 /nfs/dbraw/zinc/22/97/70/631229770.db2.gz INWMHHZJOJQJRJ-PHIMTYICSA-N 1 0 246.314 0.821 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnnn2CC)C1 ZINC001022037836 631286559 /nfs/dbraw/zinc/28/65/59/631286559.db2.gz AKYNBITXZBVQAR-AOOOYVTPSA-N 1 0 249.318 0.334 20 30 BCEDRO C#CCNC(=O)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933382395 631345127 /nfs/dbraw/zinc/34/51/27/631345127.db2.gz FQVWTHSHNRRODE-NSHDSACASA-N 1 0 236.315 0.427 20 30 BCEDRO C#CCC[NH2+]C(C)(C)CN1CCOCC1 ZINC000308648286 631347025 /nfs/dbraw/zinc/34/70/25/631347025.db2.gz QGUDUTPCMXBMIS-UHFFFAOYSA-N 1 0 210.321 0.710 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccns2)C1 ZINC000971622733 631351682 /nfs/dbraw/zinc/35/16/82/631351682.db2.gz XXERPQXYXMOUJQ-JTQLQIEISA-N 1 0 249.339 0.923 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC001022249939 631433870 /nfs/dbraw/zinc/43/38/70/631433870.db2.gz GASWBWRXQNGYGQ-WSVSKBAQSA-N 1 0 238.331 0.834 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cncn1C ZINC000290751457 631440050 /nfs/dbraw/zinc/44/00/50/631440050.db2.gz YGZXWTRHNWMZQD-UHFFFAOYSA-N 1 0 207.281 0.401 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccsn2)C1 ZINC000971762900 631443720 /nfs/dbraw/zinc/44/37/20/631443720.db2.gz PLAKIMTWYOEUCG-SNVBAGLBSA-N 1 0 249.339 0.923 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccsn2)C1 ZINC000971762899 631443834 /nfs/dbraw/zinc/44/38/34/631443834.db2.gz PLAKIMTWYOEUCG-JTQLQIEISA-N 1 0 249.339 0.923 20 30 BCEDRO C[C@H](C#N)OCC[NH2+]C(C)(C)CN(C)C ZINC000308632521 631444850 /nfs/dbraw/zinc/44/48/50/631444850.db2.gz QKSSKTXBMAZVDH-SNVBAGLBSA-N 1 0 213.325 0.845 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933770042 631507944 /nfs/dbraw/zinc/50/79/44/631507944.db2.gz FZFSIBUEIIGXSG-KCJUWKMLSA-N 1 0 240.328 0.793 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)C=NOC ZINC000308746531 631558748 /nfs/dbraw/zinc/55/87/48/631558748.db2.gz FQFWQTLIPNIHHF-SECBINFHSA-N 1 0 213.281 0.219 20 30 BCEDRO N#CC1(C[C@H](O)C[N@H+]2CC[C@H]2CO)CCC1 ZINC000934014337 631598176 /nfs/dbraw/zinc/59/81/76/631598176.db2.gz IGSOQDZJHUWSAU-QWRGUYRKSA-N 1 0 224.304 0.498 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@H]1CO ZINC000934026562 631605413 /nfs/dbraw/zinc/60/54/13/631605413.db2.gz GVTSXCTWGOGCEY-RYUDHWBXSA-N 1 0 240.347 0.866 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)CN1CC[C@H]1CO ZINC000934027693 631619942 /nfs/dbraw/zinc/61/99/42/631619942.db2.gz RBOSBLXPKUESCS-MNOVXSKESA-N 1 0 239.319 0.061 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@H]1CO ZINC000934027696 631621973 /nfs/dbraw/zinc/62/19/73/631621973.db2.gz RBOSBLXPKUESCS-QWRGUYRKSA-N 1 0 239.319 0.061 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](CNC(=O)C2CC2)C1 ZINC001028365939 635660427 /nfs/dbraw/zinc/66/04/27/635660427.db2.gz SYZMSGZRZWZPCL-LLVKDONJSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001028419403 635668748 /nfs/dbraw/zinc/66/87/48/635668748.db2.gz YNCXYUPKADWFHX-NSHDSACASA-N 1 0 246.314 0.485 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ccon2)C1 ZINC001028425831 635670972 /nfs/dbraw/zinc/67/09/72/635670972.db2.gz SQIPJLPDLFCZRN-SNVBAGLBSA-N 1 0 233.271 0.360 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001028429034 635672924 /nfs/dbraw/zinc/67/29/24/635672924.db2.gz IEISUKVQXLMBKN-VXGBXAGGSA-N 1 0 238.331 0.647 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ccnn2C)C1 ZINC001028435242 635672973 /nfs/dbraw/zinc/67/29/73/635672973.db2.gz HKJJHFMVBFDQAB-LLVKDONJSA-N 1 0 246.314 0.105 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCOC[C@H](C)C1 ZINC000308785991 631646506 /nfs/dbraw/zinc/64/65/06/631646506.db2.gz GAIOHFNWQCRQQO-MNOVXSKESA-N 1 0 212.293 0.883 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnco2)C1 ZINC001022513812 631655542 /nfs/dbraw/zinc/65/55/42/631655542.db2.gz WTWKRRVDZHSQOA-DTORHVGOSA-N 1 0 221.260 0.711 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCCC[C@@H]1CO ZINC000308827570 631673014 /nfs/dbraw/zinc/67/30/14/631673014.db2.gz RWOKDPXWCLKKBQ-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)CC(N)=O)[C@H]1CCCO1 ZINC000308835912 631676056 /nfs/dbraw/zinc/67/60/56/631676056.db2.gz IEKHGWHRCFYNPO-LPEHRKFASA-N 1 0 210.277 0.021 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000971963277 631700823 /nfs/dbraw/zinc/70/08/23/631700823.db2.gz IEEFJUIFLLJLNG-LLVKDONJSA-N 1 0 249.289 0.933 20 30 BCEDRO C[C@](Cn1cccn1)([NH2+]CCCC#N)C(N)=O ZINC000934218359 631735855 /nfs/dbraw/zinc/73/58/55/631735855.db2.gz ABNNKAUNJKOSFJ-LLVKDONJSA-N 1 0 235.291 0.020 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000934240291 631742242 /nfs/dbraw/zinc/74/22/42/631742242.db2.gz UPJCYOUIOZNKTM-VXGBXAGGSA-N 1 0 245.326 0.740 20 30 BCEDRO CC#CCN1CC[C@@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934263086 631751204 /nfs/dbraw/zinc/75/12/04/631751204.db2.gz MXURYJHHCNXJPR-QWHCGFSZSA-N 1 0 222.332 0.541 20 30 BCEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([N@H+](C)CCO)C1 ZINC000972081100 631757035 /nfs/dbraw/zinc/75/70/35/631757035.db2.gz YRNFAYJLQRTOJG-LLVKDONJSA-N 1 0 240.347 0.724 20 30 BCEDRO C[C@H](CCO)[NH2+]C1CCN(CC#N)CC1 ZINC000308972626 631770065 /nfs/dbraw/zinc/77/00/65/631770065.db2.gz FPBIVLMBDMHDDI-SNVBAGLBSA-N 1 0 211.309 0.335 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](F)CC)C1 ZINC000972091825 631766036 /nfs/dbraw/zinc/76/60/36/631766036.db2.gz ZPGZNGHUFXYUFK-QWRGUYRKSA-N 1 0 226.295 0.900 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)C(C)C)[C@@H]1CCCO1 ZINC000308961214 631769331 /nfs/dbraw/zinc/76/93/31/631769331.db2.gz ZJAKKVZWTPPGJC-SRVKXCTJSA-N 1 0 211.305 0.774 20 30 BCEDRO C#CCC[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000308968576 631774022 /nfs/dbraw/zinc/77/40/22/631774022.db2.gz XOOVLTHFXUVFKR-NSHDSACASA-N 1 0 211.261 0.322 20 30 BCEDRO C#CC[NH2+][C@@]1(CC(=O)OC)CCCOC1 ZINC000308967855 631774317 /nfs/dbraw/zinc/77/43/17/631774317.db2.gz XBQQLOGKRYWFKA-LLVKDONJSA-N 1 0 211.261 0.322 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000892196866 631777223 /nfs/dbraw/zinc/77/72/23/631777223.db2.gz QLDYHEPEVOCJAW-XWLWVQCSSA-N 1 0 236.319 0.810 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@H]1CCOC12CCCC2 ZINC000934393544 631818548 /nfs/dbraw/zinc/81/85/48/631818548.db2.gz YQOVUCRRRVHVRC-MNOVXSKESA-N 1 0 224.304 0.952 20 30 BCEDRO CCN(CCC#N)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056096 631832150 /nfs/dbraw/zinc/83/21/50/631832150.db2.gz COYQBXSTLIUGJR-GFCCVEGCSA-N 1 0 225.336 0.679 20 30 BCEDRO C[C@H](CC#N)N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056092 631832845 /nfs/dbraw/zinc/83/28/45/631832845.db2.gz COWXHBCUNLZFFY-NEPJUHHUSA-N 1 0 225.336 0.677 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H]1CC=C ZINC000934458801 631845054 /nfs/dbraw/zinc/84/50/54/631845054.db2.gz DTHSRPKIKULGCC-LLVKDONJSA-N 1 0 206.289 0.776 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@](C)(O)C(=O)OC ZINC000934460431 631845279 /nfs/dbraw/zinc/84/52/79/631845279.db2.gz IPYHLCNUBJWYDB-ONGXEEELSA-N 1 0 213.277 0.561 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@H](O)C1(O)CCC1 ZINC000934459064 631847977 /nfs/dbraw/zinc/84/79/77/631847977.db2.gz ABKWCKQDXOQGCN-QWRGUYRKSA-N 1 0 211.305 0.913 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@](C)(O)C(=O)OCC ZINC000934460805 631850658 /nfs/dbraw/zinc/85/06/58/631850658.db2.gz JVRJZHFIAQSRIB-JQWIXIFHSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCS(=O)(=O)NC ZINC000934461129 631852213 /nfs/dbraw/zinc/85/22/13/631852213.db2.gz VZOCLSBEXRAICR-VIFPVBQESA-N 1 0 218.322 0.186 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](O)CC(=O)OCC ZINC000934461418 631857763 /nfs/dbraw/zinc/85/77/63/631857763.db2.gz XSQLUSPEBRSUGH-MNOVXSKESA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC(=O)NC ZINC000934473486 631865738 /nfs/dbraw/zinc/86/57/38/631865738.db2.gz WMDKOBNABNUFPZ-BDAKNGLRSA-N 1 0 225.292 0.481 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCC(=O)NC(N)=O ZINC000934472064 631866456 /nfs/dbraw/zinc/86/64/56/631866456.db2.gz YKPCROPOMYWWIT-MRVPVSSYSA-N 1 0 211.265 0.222 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](CO)C1 ZINC000308839037 631899421 /nfs/dbraw/zinc/89/94/21/631899421.db2.gz XVOXFUNWJHNONJ-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO CNC(=O)CC[NH2+]CC#Cc1ccccc1 ZINC000051814397 631936396 /nfs/dbraw/zinc/93/63/96/631936396.db2.gz RJCVBDZBXZTWAH-UHFFFAOYSA-N 1 0 216.284 0.764 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CCO)C1 ZINC000051917084 632012884 /nfs/dbraw/zinc/01/28/84/632012884.db2.gz CQZUEIGSHSPROT-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC000972423927 632031055 /nfs/dbraw/zinc/03/10/55/632031055.db2.gz KYBDGVQELNOEDB-VXGBXAGGSA-N 1 0 232.327 0.952 20 30 BCEDRO COCCNC(=[NH2+])NCCCOCC(C)C ZINC000161472168 632045015 /nfs/dbraw/zinc/04/50/15/632045015.db2.gz FTOZPXKYFKOVAN-UHFFFAOYSA-N 1 0 231.340 0.600 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2coc(C)n2)C1 ZINC001028491624 635695762 /nfs/dbraw/zinc/69/57/62/635695762.db2.gz DMUDDLCOFFBMKL-NSHDSACASA-N 1 0 247.298 0.668 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001023049166 632115823 /nfs/dbraw/zinc/11/58/23/632115823.db2.gz IMFOMRGSHCACNY-PHIMTYICSA-N 1 0 247.298 0.824 20 30 BCEDRO C#CC[C@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924884376 635715547 /nfs/dbraw/zinc/71/55/47/635715547.db2.gz CDEVBLQZWCXURG-WDEREUQCSA-N 1 0 247.298 0.167 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@H](C)c1nonc1C ZINC000926489760 632131479 /nfs/dbraw/zinc/13/14/79/632131479.db2.gz JDGXCQIOOAIHCD-SNVBAGLBSA-N 1 0 236.319 0.984 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2C[C@H]2C)C1 ZINC001028740553 635811252 /nfs/dbraw/zinc/81/12/52/635811252.db2.gz KGSHLYBKJVRKDM-IJLUTSLNSA-N 1 0 220.316 0.714 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)C2CC2)C1 ZINC001023184041 632411245 /nfs/dbraw/zinc/41/12/45/632411245.db2.gz BDDUGDPOIOGUEN-NSHDSACASA-N 1 0 220.316 0.858 20 30 BCEDRO CCC(CC)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000309499260 632417361 /nfs/dbraw/zinc/41/73/61/632417361.db2.gz LAVBWPCDLWFFBR-ZJUUUORDSA-N 1 0 209.293 0.650 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)c2cocn2)C1 ZINC001023261812 632428673 /nfs/dbraw/zinc/42/86/73/632428673.db2.gz KWUSHWRKYSWCNO-LLVKDONJSA-N 1 0 247.298 0.750 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC(C)(C)C(=O)NCC ZINC000157409781 632430835 /nfs/dbraw/zinc/43/08/35/632430835.db2.gz QHMCFXDVSLNPIJ-UHFFFAOYSA-N 1 0 240.351 0.629 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cnnn1C ZINC000926525098 632438002 /nfs/dbraw/zinc/43/80/02/632438002.db2.gz IOJFNGJGKYGOME-NGZCFLSTSA-N 1 0 222.292 0.809 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C1CCN(OC)CC1 ZINC000926525497 632439973 /nfs/dbraw/zinc/43/99/73/632439973.db2.gz JXZSQHFUNHNMMJ-NEPJUHHUSA-N 1 0 226.320 0.945 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000309519940 632445223 /nfs/dbraw/zinc/44/52/23/632445223.db2.gz ZTQAZUBNUCTPGV-RKDXNWHRSA-N 1 0 227.308 0.405 20 30 BCEDRO C=C(Br)C[NH2+]C[C@@H](O)COCC ZINC000168260653 632456987 /nfs/dbraw/zinc/45/69/87/632456987.db2.gz JNVWIYZAPOXGGA-MRVPVSSYSA-N 1 0 238.125 0.882 20 30 BCEDRO C=C(Br)CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000168304031 632460537 /nfs/dbraw/zinc/46/05/37/632460537.db2.gz LHXQCASEHJPHFQ-RQJHMYQMSA-N 1 0 235.125 0.995 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCOCC1 ZINC000309526656 632470798 /nfs/dbraw/zinc/47/07/98/632470798.db2.gz BEUDJFUQSMCOSZ-NSHDSACASA-N 1 0 247.360 0.746 20 30 BCEDRO C#CCOCC[NH2+][C@@H](CO)c1ccccc1 ZINC000309558885 632495491 /nfs/dbraw/zinc/49/54/91/632495491.db2.gz IRANUHWMIJQYTJ-ZDUSSCGKSA-N 1 0 219.284 0.959 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC000972598698 632508741 /nfs/dbraw/zinc/50/87/41/632508741.db2.gz PEFPUEWVCUPDJX-NSHDSACASA-N 1 0 246.314 0.809 20 30 BCEDRO C#CCOCCC(=O)NCC(C)(C)[NH+](C)C ZINC000159236939 632514351 /nfs/dbraw/zinc/51/43/51/632514351.db2.gz VCODZMUTWFUFKZ-UHFFFAOYSA-N 1 0 226.320 0.483 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023657081 632555128 /nfs/dbraw/zinc/55/51/28/632555128.db2.gz LGLJIPGBKSXBPJ-SNVBAGLBSA-N 1 0 249.318 0.433 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)C(C)C)[C@H]1CCCO1 ZINC000308961213 632590314 /nfs/dbraw/zinc/59/03/14/632590314.db2.gz ZJAKKVZWTPPGJC-SDDRHHMPSA-N 1 0 211.305 0.774 20 30 BCEDRO C=CC[NH2+][C@@]1(CC(=O)OC)CCCOC1 ZINC000308964518 632593996 /nfs/dbraw/zinc/59/39/96/632593996.db2.gz UMGQYYONCAQCHF-LLVKDONJSA-N 1 0 213.277 0.874 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000972689034 632604618 /nfs/dbraw/zinc/60/46/18/632604618.db2.gz ZIXHADGODFGQLA-JTQLQIEISA-N 1 0 249.318 0.066 20 30 BCEDRO CC1(C)CC[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000309046869 632624986 /nfs/dbraw/zinc/62/49/86/632624986.db2.gz NSPLPJNOEBJZMJ-VIFPVBQESA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H]2COC[C@H]2C)nn1 ZINC000926613354 632680052 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/nfs/dbraw/zinc/86/18/58/632861858.db2.gz LQUMTVXDZRKNSP-GXSJLCMTSA-N 1 0 229.324 0.231 20 30 BCEDRO CCC(C#N)(CC)C(=O)NCC[N@H+](C)CCO ZINC000925002273 635839473 /nfs/dbraw/zinc/83/94/73/635839473.db2.gz UYUVSUFBYXMGCW-UHFFFAOYSA-N 1 0 241.335 0.357 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(C)n2)C1 ZINC001028865633 635839495 /nfs/dbraw/zinc/83/94/95/635839495.db2.gz WAENJSKRDDAYJS-JTQLQIEISA-N 1 0 249.318 0.053 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccncn2)C1 ZINC001028874365 635843011 /nfs/dbraw/zinc/84/30/11/635843011.db2.gz AKYZBEZORDQFAJ-LLVKDONJSA-N 1 0 246.314 0.714 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2nccs2)C1 ZINC001028888136 635844687 /nfs/dbraw/zinc/84/46/87/635844687.db2.gz XBAZDDJLZBPRPM-SNVBAGLBSA-N 1 0 249.339 0.828 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566518 632979013 /nfs/dbraw/zinc/97/90/13/632979013.db2.gz JJVFVWSFRYCFLQ-MGCOHNPYSA-N 1 0 209.293 0.388 20 30 BCEDRO C#CCCC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000229826030 632992162 /nfs/dbraw/zinc/99/21/62/632992162.db2.gz VBROSJTZONQOPF-UHFFFAOYSA-N 1 0 242.300 0.430 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001029023739 635874266 /nfs/dbraw/zinc/87/42/66/635874266.db2.gz VDYALYXHCXBYPR-LLVKDONJSA-N 1 0 246.314 0.403 20 30 BCEDRO C#CCCCCNC(=O)NC(C)(C)C[NH3+] ZINC000841860915 635896991 /nfs/dbraw/zinc/89/69/91/635896991.db2.gz QYUOSCFWNFQFPW-UHFFFAOYSA-N 1 0 211.309 0.826 20 30 BCEDRO CC[C@@H](C#N)OC(=O)COC1CC[NH+](C)CC1 ZINC000923789493 633169529 /nfs/dbraw/zinc/16/95/29/633169529.db2.gz UGBALBQMDGGCSD-JTQLQIEISA-N 1 0 240.303 0.943 20 30 BCEDRO C[C@H](CC#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928430314 635912530 /nfs/dbraw/zinc/91/25/30/635912530.db2.gz VWGRTUBDKGVXON-KXUCPTDWSA-N 1 0 209.293 0.745 20 30 BCEDRO C#C[C@H]([NH2+]CCn1ccnc1)[C@H]1CCCO1 ZINC000309533053 633188571 /nfs/dbraw/zinc/18/85/71/633188571.db2.gz DMAPIIHQQNXYLG-NWDGAFQWSA-N 1 0 219.288 0.654 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000926838364 633191792 /nfs/dbraw/zinc/19/17/92/633191792.db2.gz DJFVQFWQXFDARA-GHMZBOCLSA-N 1 0 243.351 0.827 20 30 BCEDRO C[NH+]=C(NC[C@H]1CCCOC1)NC1CC1 ZINC000171411041 633194212 /nfs/dbraw/zinc/19/42/12/633194212.db2.gz UVQIPFFVQKDLQS-SECBINFHSA-N 1 0 211.309 0.740 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@H]1CCCO1 ZINC000309554182 633200230 /nfs/dbraw/zinc/20/02/30/633200230.db2.gz GZDCYFFJKXPBHU-GARJFASQSA-N 1 0 222.288 0.035 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000309568312 633201719 /nfs/dbraw/zinc/20/17/19/633201719.db2.gz MYHWPPQXUBKMCX-QWRGUYRKSA-N 1 0 224.304 0.141 20 30 BCEDRO C#C[C@@H]([NH2+]CCC1OCCO1)[C@H]1CCCO1 ZINC000309585826 633208729 /nfs/dbraw/zinc/20/87/29/633208729.db2.gz VMKHSHMAHAKYPX-GHMZBOCLSA-N 1 0 225.288 0.520 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2cc[nH]n2)C1 ZINC000303894362 635934674 /nfs/dbraw/zinc/93/46/74/635934674.db2.gz SOSYMMHIDZQHGC-SECBINFHSA-N 1 0 221.308 0.956 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000304293222 635938609 /nfs/dbraw/zinc/93/86/09/635938609.db2.gz ZGENMJSTIYWTSN-KXNHARMFSA-N 1 0 224.304 0.618 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)CSCC#N)CC[N@@H+]1C ZINC000928459716 635998453 /nfs/dbraw/zinc/99/84/53/635998453.db2.gz XRDLVJUXQOJUPE-IUCAKERBSA-N 1 0 227.333 0.452 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)CSCC#N)CC[N@@H+]1C ZINC000928459714 635998912 /nfs/dbraw/zinc/99/89/12/635998912.db2.gz XRDLVJUXQOJUPE-BDAKNGLRSA-N 1 0 227.333 0.452 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)CC(C)(C)C#N ZINC000928557435 636098455 /nfs/dbraw/zinc/09/84/55/636098455.db2.gz SFUGIYRJEKHXHY-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO CO[C@@](C)(C[NH2+][C@@H]1CCCN(O)C1=O)C1CC1 ZINC000895157424 636099745 /nfs/dbraw/zinc/09/97/45/636099745.db2.gz CHWBKGIJZYLFCU-PWSUYJOCSA-N 1 0 242.319 0.771 20 30 BCEDRO CC1(C)C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)CCO1 ZINC000895157868 636100081 /nfs/dbraw/zinc/10/00/81/636100081.db2.gz TUSQNDUNZQCTAW-VHSXEESVSA-N 1 0 242.319 0.914 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)[C@H](C)O1 ZINC000895157735 636100091 /nfs/dbraw/zinc/10/00/91/636100091.db2.gz FFNCSDBDHOGCEM-KATARQTJSA-N 1 0 228.292 0.522 20 30 BCEDRO C[C@@H]1CSC[C@H]1[NH2+][C@@H]1CCCN(O)C1=O ZINC000895158439 636101158 /nfs/dbraw/zinc/10/11/58/636101158.db2.gz IPWXFICZXGXSBQ-IWSPIJDZSA-N 1 0 230.333 0.708 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@@H]1CCCCO1 ZINC000895158161 636101629 /nfs/dbraw/zinc/10/16/29/636101629.db2.gz XODNPFUEKRVTFB-AXFHLTTASA-N 1 0 242.319 0.914 20 30 BCEDRO O=C1[C@@H]([NH2+][C@H]2CCSC2)CCCN1O ZINC000895163593 636108253 /nfs/dbraw/zinc/10/82/53/636108253.db2.gz WDEJAPBRIXWORI-YUMQZZPRSA-N 1 0 216.306 0.462 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000926864859 633730806 /nfs/dbraw/zinc/73/08/06/633730806.db2.gz PJRFQPAHSBCYOL-IJLUTSLNSA-N 1 0 240.347 0.960 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CCCCO ZINC000328219919 633742740 /nfs/dbraw/zinc/74/27/40/633742740.db2.gz ZOCXOLOBFFRNBA-UHFFFAOYSA-N 1 0 226.320 0.220 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)C(C)(F)F)CC1 ZINC000328530157 633771751 /nfs/dbraw/zinc/77/17/51/633771751.db2.gz WZADMRCRWWHRAC-UHFFFAOYSA-N 1 0 231.246 0.746 20 30 BCEDRO CC[NH+](CC)CCCNC(=O)NCC#CCO ZINC000923790076 633781285 /nfs/dbraw/zinc/78/12/85/633781285.db2.gz RYWJFTGHMPGWCY-UHFFFAOYSA-N 1 0 241.335 0.013 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C(F)F)C1 ZINC001019911213 633799153 /nfs/dbraw/zinc/79/91/53/633799153.db2.gz CMHQVFLFYMMJJJ-LJGSYFOKSA-N 1 0 204.220 0.674 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccnc2)C1 ZINC001019932891 633799881 /nfs/dbraw/zinc/79/98/81/633799881.db2.gz PEWCJUGGHUTWSI-HAQNSBGRSA-N 1 0 229.283 0.565 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001019964153 633802653 /nfs/dbraw/zinc/80/26/53/633802653.db2.gz ZPUZVLAWMMGXQQ-SRVKXCTJSA-N 1 0 238.331 0.978 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C2=COCCO2)C1 ZINC001019963970 633802915 /nfs/dbraw/zinc/80/29/15/633802915.db2.gz UAOAZCLPGBOCRH-MGCOHNPYSA-N 1 0 238.287 0.297 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001019957536 633803318 /nfs/dbraw/zinc/80/33/18/633803318.db2.gz MHZOJKMVLMZKCC-NAKRPEOUSA-N 1 0 206.289 0.512 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001020016202 633806427 /nfs/dbraw/zinc/80/64/27/633806427.db2.gz SMZCBCGKAFXREV-IJLUTSLNSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001020015878 633806467 /nfs/dbraw/zinc/80/64/67/633806467.db2.gz LMDNXDGZCGUVDW-DCAQKATOSA-N 1 0 224.304 0.446 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001020075517 633808483 /nfs/dbraw/zinc/80/84/83/633808483.db2.gz ABVKPITYQXKEND-IJLUTSLNSA-N 1 0 238.331 0.978 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CO[C@@H](C)C2)C1 ZINC001020319853 633814538 /nfs/dbraw/zinc/81/45/38/633814538.db2.gz XXSKBJYKSIPBFZ-USZNOCQGSA-N 1 0 238.331 0.834 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1CCO ZINC000308862561 633824819 /nfs/dbraw/zinc/82/48/19/633824819.db2.gz KBGYYNGNJUPNLI-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO CCOCCCNC(=[NH2+])NCC(F)F ZINC000177677215 633829572 /nfs/dbraw/zinc/82/95/72/633829572.db2.gz AMVCRYGXLLLQKF-UHFFFAOYSA-N 1 0 209.240 0.582 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCO[C@H]1C ZINC001026123088 633852156 /nfs/dbraw/zinc/85/21/56/633852156.db2.gz BXQSHNRGEVVLRW-OBPIAQAESA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C(C)C ZINC001026128811 633853575 /nfs/dbraw/zinc/85/35/75/633853575.db2.gz XFHOMNVSGJYRPI-BJJPWKGXSA-N 1 0 246.354 0.958 20 30 BCEDRO C=CC[C@@H](C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000122764356 633854978 /nfs/dbraw/zinc/85/49/78/633854978.db2.gz DRCPNSTWFWWHJN-NXEZZACHSA-N 1 0 232.349 0.622 20 30 BCEDRO CC(C)[C@@](C)(CO)[NH2+]C[C@H](O)CC#N ZINC000930519356 633857547 /nfs/dbraw/zinc/85/75/47/633857547.db2.gz KMRQBUJWCFLBML-NXEZZACHSA-N 1 0 200.282 0.258 20 30 BCEDRO C=CC[C@@H](CO)Nc1nc(N)cc(C)[nH+]1 ZINC000893163465 633859722 /nfs/dbraw/zinc/85/97/22/633859722.db2.gz UUIGYTWISZJDSQ-QMMMGPOBSA-N 1 0 208.265 0.716 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)CC)C[C@@H]21 ZINC001026160116 633859753 /nfs/dbraw/zinc/85/97/53/633859753.db2.gz VZSYEQKFUIBJEN-SDDRHHMPSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C3CC3)C[C@H]12 ZINC001026163843 633866551 /nfs/dbraw/zinc/86/65/51/633866551.db2.gz SCBIVACZDIKVIX-FRRDWIJNSA-N 1 0 232.327 0.856 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)COCC)[C@@H]1CCCO1 ZINC000309913910 633933692 /nfs/dbraw/zinc/93/36/92/633933692.db2.gz OGOLPXVWJURBAB-SRVKXCTJSA-N 1 0 227.304 0.154 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947671725 633984159 /nfs/dbraw/zinc/98/41/59/633984159.db2.gz NPBRROMOIFGFLG-UWVGGRQHSA-N 1 0 239.319 0.017 20 30 BCEDRO CNC(=O)C1([NH2+]CC#CCOC)CCCC1 ZINC000309668266 633986132 /nfs/dbraw/zinc/98/61/32/633986132.db2.gz VAQKQUVERAZHCZ-UHFFFAOYSA-N 1 0 224.304 0.285 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000895489995 636151148 /nfs/dbraw/zinc/15/11/48/636151148.db2.gz JATYJWPJTBRHIV-GMTAPVOTSA-N 1 0 225.288 0.302 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1SC ZINC000895490631 636151515 /nfs/dbraw/zinc/15/15/15/636151515.db2.gz RJQBXUOIPKHOEE-DDHJBXDOSA-N 1 0 243.372 0.869 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(OC)cnc1F ZINC000895490451 636151587 /nfs/dbraw/zinc/15/15/87/636151587.db2.gz PHKNJROPUYIHEL-JTQLQIEISA-N 1 0 238.262 0.703 20 30 BCEDRO C#CCSCC(=O)NCC[NH+](CC)CC ZINC000895582323 636163898 /nfs/dbraw/zinc/16/38/98/636163898.db2.gz RCBWQAAOUNXELE-UHFFFAOYSA-N 1 0 228.361 0.811 20 30 BCEDRO CN(C)C(=[NH2+])NCCc1nn(C)c2ccccc12 ZINC000187037632 634094030 /nfs/dbraw/zinc/09/40/30/634094030.db2.gz HANLTBCZYLRPNE-UHFFFAOYSA-N 1 0 245.330 0.992 20 30 BCEDRO CC[N@H+](CCSC)C[C@H](O)CC#N ZINC000930826232 634123406 /nfs/dbraw/zinc/12/34/06/634123406.db2.gz OXFBFIJNCQMNFK-SECBINFHSA-N 1 0 202.323 0.946 20 30 BCEDRO CC[N@H+](C[C@H](O)CC#N)[C@H]1CCCOC1 ZINC000930853856 634136656 /nfs/dbraw/zinc/13/66/56/634136656.db2.gz YVLIOCPLWVGBOK-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO C[C@@H]1NCCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925609213 634147289 /nfs/dbraw/zinc/14/72/89/634147289.db2.gz QOPPBABYQGMADF-WCQYABFASA-N 1 0 236.363 0.704 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310486210 634153575 /nfs/dbraw/zinc/15/35/75/634153575.db2.gz GHGJHVHRXLUWSY-STQMWFEESA-N 1 0 237.347 0.679 20 30 BCEDRO C[C@@]12COC[C@]1(C)C[N@@H+](C[C@H](O)CC#N)C2 ZINC000930971631 634184537 /nfs/dbraw/zinc/18/45/37/634184537.db2.gz STZXKFDHSBZQQO-UTUOFQBUSA-N 1 0 224.304 0.619 20 30 BCEDRO CC(C)[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001026729156 634308880 /nfs/dbraw/zinc/30/88/80/634308880.db2.gz WRCBZSJXUXULQO-QWRGUYRKSA-N 1 0 223.320 0.993 20 30 BCEDRO CC(C)[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001026729155 634309185 /nfs/dbraw/zinc/30/91/85/634309185.db2.gz WRCBZSJXUXULQO-MNOVXSKESA-N 1 0 223.320 0.993 20 30 BCEDRO N#CCc1cccc2c1CC[N@@H+](C[C@@H](O)CO)C2 ZINC000931332368 634355292 /nfs/dbraw/zinc/35/52/92/634355292.db2.gz DTWGHQFLLVFSPN-CYBMUJFWSA-N 1 0 246.310 0.464 20 30 BCEDRO COCCNC(=[NH2+])NCCCOC(C)C ZINC000195522191 634364034 /nfs/dbraw/zinc/36/40/34/634364034.db2.gz XOBPTERUSXKQBO-UHFFFAOYSA-N 1 0 217.313 0.352 20 30 BCEDRO COc1ccc2c(c1)OCC2=NNC1=[NH+]CCN1 ZINC000841659341 635138335 /nfs/dbraw/zinc/13/83/35/635138335.db2.gz ODRQKMNMVXIYGX-UHFFFAOYSA-N 1 0 246.270 0.341 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001027773306 635144808 /nfs/dbraw/zinc/14/48/08/635144808.db2.gz XDYDZGVGEGZWGY-GFCCVEGCSA-N 1 0 246.314 0.627 20 30 BCEDRO COC1(OC)CC[N@H+](CCCC#N)C[C@@H]1O ZINC000931632726 635145829 /nfs/dbraw/zinc/14/58/29/635145829.db2.gz XTVQAJWQUUKBOH-JTQLQIEISA-N 1 0 228.292 0.346 20 30 BCEDRO c1cc2c(o1)CCCC2=NNC1=[NH+]CCN1 ZINC000841659816 635165308 /nfs/dbraw/zinc/16/53/08/635165308.db2.gz MLWATBODDIQVEO-UHFFFAOYSA-N 1 0 218.260 0.869 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cncnc1 ZINC001027838534 635168802 /nfs/dbraw/zinc/16/88/02/635168802.db2.gz COTPTRZGFTVBRL-GFCCVEGCSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)c2ccn[nH]2)CC1 ZINC000980746273 635268523 /nfs/dbraw/zinc/26/85/23/635268523.db2.gz LHEQOHIZWSGPCP-UHFFFAOYSA-N 1 0 246.314 0.581 20 30 BCEDRO C#CCN1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000980833038 635281447 /nfs/dbraw/zinc/28/14/47/635281447.db2.gz AZASTOLATIRXGC-ZDUSSCGKSA-N 1 0 249.358 0.248 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001027990407 635288015 /nfs/dbraw/zinc/28/80/15/635288015.db2.gz KJROXSMSICFNCQ-VIFPVBQESA-N 1 0 235.291 0.185 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cncn1C ZINC001028002909 635295365 /nfs/dbraw/zinc/29/53/65/635295365.db2.gz BBODBNVRVUUQKL-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ccon2)C1 ZINC000980935030 635301776 /nfs/dbraw/zinc/30/17/76/635301776.db2.gz IBRHORJZNBRNRF-WDEREUQCSA-N 1 0 247.298 0.938 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000931752081 635308811 /nfs/dbraw/zinc/30/88/11/635308811.db2.gz IPOYUZHUWRUMMO-TUAOUCFPSA-N 1 0 224.304 0.762 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001028032725 635320998 /nfs/dbraw/zinc/32/09/98/635320998.db2.gz ARPRCKLJEPMKHI-NSHDSACASA-N 1 0 249.289 0.981 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cnco2)C1 ZINC000981250018 635347628 /nfs/dbraw/zinc/34/76/28/635347628.db2.gz VPXNDORLWJMCJW-QWRGUYRKSA-N 1 0 247.298 0.938 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cnon2)C1 ZINC000981399808 635360880 /nfs/dbraw/zinc/36/08/80/635360880.db2.gz VOSXXTKNXALWJQ-ZJUUUORDSA-N 1 0 248.286 0.333 20 30 BCEDRO C=CC[N@H+]1CCCN(C(=O)c2cncn2C)CC1 ZINC000981560722 635368797 /nfs/dbraw/zinc/36/87/97/635368797.db2.gz HWQHXNSCQXVLBU-UHFFFAOYSA-N 1 0 248.330 0.754 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)C(F)F)C1 ZINC001006513578 635373199 /nfs/dbraw/zinc/37/31/99/635373199.db2.gz NHDAXWJOOWMNHI-SECBINFHSA-N 1 0 230.258 0.855 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1cnccn1 ZINC000320294125 635575957 /nfs/dbraw/zinc/57/59/57/635575957.db2.gz QVVRDEQNHOGCKE-SNVBAGLBSA-N 1 0 207.277 0.893 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001028385405 635663975 /nfs/dbraw/zinc/66/39/75/635663975.db2.gz CNNNTZDDDBWTKW-VXGBXAGGSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cnccn2)C1 ZINC001028380475 635664334 /nfs/dbraw/zinc/66/43/34/635664334.db2.gz MFZCZKLPNNWTLJ-LLVKDONJSA-N 1 0 244.298 0.162 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@@]3(CCC[NH2+]3)C2)C1=O ZINC000334981602 635866079 /nfs/dbraw/zinc/86/60/79/635866079.db2.gz UCYBSIHUAZGRAA-OCCSQVGLSA-N 1 0 249.358 0.601 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1C ZINC000928430571 635914411 /nfs/dbraw/zinc/91/44/11/635914411.db2.gz HTGMSYUNYZATNZ-ONGXEEELSA-N 1 0 206.289 0.609 20 30 BCEDRO C[N@H+](C[C@@H](O)CN1CCC[C@@H](C#N)C1)C1CC1 ZINC000310501075 636203626 /nfs/dbraw/zinc/20/36/26/636203626.db2.gz MKBCRJFJKFKBSF-WCQYABFASA-N 1 0 237.347 0.677 20 30 BCEDRO CNC(NCc1nnc(-c2ccccc2)[nH]1)=[NH+]C ZINC000727969462 636230868 /nfs/dbraw/zinc/23/08/68/636230868.db2.gz KDDQUWBWIHRWSQ-UHFFFAOYSA-N 1 0 244.302 0.767 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)NCCC#N)CC[N@@H+]1C ZINC000336468128 636252124 /nfs/dbraw/zinc/25/21/24/636252124.db2.gz JYSGKDVONKUHFL-NXEZZACHSA-N 1 0 224.308 0.682 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000841913980 636289214 /nfs/dbraw/zinc/28/92/14/636289214.db2.gz XGYAJLCHKMOSFJ-ZJUUUORDSA-N 1 0 227.308 0.730 20 30 BCEDRO C=CC[C@H](CO)Nc1cc(NC)ncn1 ZINC000320606213 636297461 /nfs/dbraw/zinc/29/74/61/636297461.db2.gz FWKPERJOGULPSG-MRVPVSSYSA-N 1 0 208.265 0.867 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000303252837 636304084 /nfs/dbraw/zinc/30/40/84/636304084.db2.gz CBIMLKSETOFJBQ-UHFFFAOYSA-N 1 0 232.287 0.376 20 30 BCEDRO CCCCCCNC(=[NH2+])NCCNC(C)=O ZINC000303772252 636312105 /nfs/dbraw/zinc/31/21/05/636312105.db2.gz DKEBRODWPGEMNC-UHFFFAOYSA-N 1 0 228.340 0.607 20 30 BCEDRO CCn1cnnc1CNC(=[NH2+])N1CCCCC1 ZINC000303911461 636316565 /nfs/dbraw/zinc/31/65/65/636316565.db2.gz ZPZNLJOUYZBIAJ-UHFFFAOYSA-N 1 0 236.323 0.599 20 30 BCEDRO CCCCNC(=[NH2+])NC[C@H](C)C(=O)OC ZINC000303980076 636321076 /nfs/dbraw/zinc/32/10/76/636321076.db2.gz NUFLWBRVRXXUQR-QMMMGPOBSA-N 1 0 215.297 0.500 20 30 BCEDRO COC(=O)CCCCNC(=[NH2+])NC(C)C ZINC000303906617 636317316 /nfs/dbraw/zinc/31/73/16/636317316.db2.gz ZZDVOGKWXAXCFC-UHFFFAOYSA-N 1 0 215.297 0.642 20 30 BCEDRO COCCNC(=[NH2+])NCc1ncc(C)s1 ZINC000304254010 636322077 /nfs/dbraw/zinc/32/20/77/636322077.db2.gz ABPKBFQIEVBQRA-UHFFFAOYSA-N 1 0 228.321 0.502 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H](OC)C(C)(C)C ZINC000304287862 636322711 /nfs/dbraw/zinc/32/27/11/636322711.db2.gz BDLDDYUONSJBIX-SECBINFHSA-N 1 0 231.340 0.598 20 30 BCEDRO CCc1nncn1CCNC(=[NH2+])N[C@H](C)CC ZINC000304262634 636323167 /nfs/dbraw/zinc/32/31/67/636323167.db2.gz CGQWSVAZBZXBMG-SECBINFHSA-N 1 0 238.339 0.543 20 30 BCEDRO Cc1cccc2[nH]c(CNC(N)=[NH2+])nc21 ZINC000305702342 636329676 /nfs/dbraw/zinc/32/96/76/636329676.db2.gz GRXLGOQTNHQOPM-UHFFFAOYSA-N 1 0 203.249 0.645 20 30 BCEDRO [NH2+]=C(NCC[C@@H]1CCCCO1)N1CCOCC1 ZINC000305823878 636333134 /nfs/dbraw/zinc/33/31/34/636333134.db2.gz BYGYLWLZMZGVDM-NSHDSACASA-N 1 0 241.335 0.593 20 30 BCEDRO CCCNC(=O)CCNC(=[NH2+])N(C)C1CC1 ZINC000305831065 636333747 /nfs/dbraw/zinc/33/37/47/636333747.db2.gz UGECIDHKSDEVFN-UHFFFAOYSA-N 1 0 226.324 0.312 20 30 BCEDRO C#CCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841921895 636349295 /nfs/dbraw/zinc/34/92/95/636349295.db2.gz MGUAEFCHGKPUIY-SNVBAGLBSA-N 1 0 209.293 0.451 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1cn(C)cn1 ZINC000320703520 636355683 /nfs/dbraw/zinc/35/56/83/636355683.db2.gz GPNRUHLWMUDUEU-JTQLQIEISA-N 1 0 209.293 0.837 20 30 BCEDRO C=CC[C@H](CO)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000320702368 636356056 /nfs/dbraw/zinc/35/60/56/636356056.db2.gz YKPUDHYROGAVKT-JSAZDUPASA-N 1 0 222.332 0.509 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CC2)[C@H]1C ZINC000985852669 636429233 /nfs/dbraw/zinc/42/92/33/636429233.db2.gz AJWLUVZVLVHZOP-ONGXEEELSA-N 1 0 206.289 0.609 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC2CC2)[C@H]1C ZINC000985848427 636431588 /nfs/dbraw/zinc/43/15/88/636431588.db2.gz FOXUVNSNJQFZGS-JQWIXIFHSA-N 1 0 220.316 0.999 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)cn1 ZINC000728963404 636434876 /nfs/dbraw/zinc/43/48/76/636434876.db2.gz AIFCTBQGGJKCCB-CYBMUJFWSA-N 1 0 243.310 0.887 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2cccn2)[C@H]1C ZINC000985970386 636458239 /nfs/dbraw/zinc/45/82/39/636458239.db2.gz LNEHQFJDTOLPHB-RYUDHWBXSA-N 1 0 248.330 0.648 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1C ZINC000986027783 636471936 /nfs/dbraw/zinc/47/19/36/636471936.db2.gz XXWNYZOTTXCSKR-NXEZZACHSA-N 1 0 232.287 0.236 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2ccon2)[C@H]1C ZINC000986054371 636481695 /nfs/dbraw/zinc/48/16/95/636481695.db2.gz IVYYRLXPKMDUAF-CMPLNLGQSA-N 1 0 249.314 0.982 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1C ZINC000986087542 636497048 /nfs/dbraw/zinc/49/70/48/636497048.db2.gz YSQKEYQKCXMLAF-PWSUYJOCSA-N 1 0 248.330 0.717 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC000986088385 636498087 /nfs/dbraw/zinc/49/80/87/636498087.db2.gz BLHIJESBHSKKFY-ZJUUUORDSA-N 1 0 239.319 0.017 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1COC[C@@H]1C ZINC000928914480 636507638 /nfs/dbraw/zinc/50/76/38/636507638.db2.gz XRJBZNWECGFJSD-UWVGGRQHSA-N 1 0 212.293 0.255 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2coc(C)n2)[C@@H]1C ZINC000986168498 636535967 /nfs/dbraw/zinc/53/59/67/636535967.db2.gz QPTTUUOMFYXULL-MWLCHTKSSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(C)(C)O)[C@H]1C ZINC000986208785 636544284 /nfs/dbraw/zinc/54/42/84/636544284.db2.gz BGWPOTOPHLCDDM-QWRGUYRKSA-N 1 0 238.331 0.360 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(C)(C)O)[C@H]1C ZINC000986210010 636545162 /nfs/dbraw/zinc/54/51/62/636545162.db2.gz FOFZNDKODKMDTO-QWRGUYRKSA-N 1 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/nfs/dbraw/zinc/62/23/20/636622320.db2.gz BDKFPUXLQDKSOG-ZYHUDNBSSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1C ZINC000987069305 636622381 /nfs/dbraw/zinc/62/23/81/636622381.db2.gz PLYQIIPSSHUSCD-PWSUYJOCSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+]CC(=O)N(CCOC)CC(C)C ZINC000086156888 636634635 /nfs/dbraw/zinc/63/46/35/636634635.db2.gz ZVKWTRQIEPAHCC-UHFFFAOYSA-N 1 0 226.320 0.340 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccncn2)[C@H]1C ZINC000987206631 636641365 /nfs/dbraw/zinc/64/13/65/636641365.db2.gz YXLLRWGJTORJNA-WDEREUQCSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccncn2)[C@H]1C ZINC000987206778 636641810 /nfs/dbraw/zinc/64/18/10/636641810.db2.gz ZNWAFJBEGZUIGP-WDEREUQCSA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cccnn2)[C@H]1C ZINC000987233721 636642646 /nfs/dbraw/zinc/64/26/46/636642646.db2.gz HFRJLMHLRFJHAY-WDEREUQCSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)[C@H]1C ZINC000987317264 636647032 /nfs/dbraw/zinc/64/70/32/636647032.db2.gz GKVSICTVUVGWQZ-VHSXEESVSA-N 1 0 249.318 0.112 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ccc[nH]2)[C@H]1C ZINC000987559658 636653267 /nfs/dbraw/zinc/65/32/67/636653267.db2.gz GNNKPBVOHRAQJD-AAEUAGOBSA-N 1 0 245.326 0.769 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1C ZINC000987525948 636653528 /nfs/dbraw/zinc/65/35/28/636653528.db2.gz PQFWMINXQSFAMH-QWRGUYRKSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C(F)F)C1 ZINC000987696039 636663655 /nfs/dbraw/zinc/66/36/55/636663655.db2.gz OSNVERNQKVGWHL-JGVFFNPUSA-N 1 0 216.231 0.464 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnccn2)C1 ZINC000987878832 636671190 /nfs/dbraw/zinc/67/11/90/636671190.db2.gz OTDGTRJAKQRYHJ-MNOVXSKESA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnccn2)C1 ZINC000987873404 636671410 /nfs/dbraw/zinc/67/14/10/636671410.db2.gz GIVDNNDAMTXGIG-MNOVXSKESA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(C)c2)C1 ZINC000987987915 636674118 /nfs/dbraw/zinc/67/41/18/636674118.db2.gz XIIYKWLDDUVQFZ-ZYHUDNBSSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CSC)C1 ZINC000987995515 636675463 /nfs/dbraw/zinc/67/54/63/636675463.db2.gz NYVCFGHIRAGTCY-ZJUUUORDSA-N 1 0 226.345 0.562 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccn2C)C1 ZINC000988123636 636679289 /nfs/dbraw/zinc/67/92/89/636679289.db2.gz MMIAQLYXXCOIBO-NWDGAFQWSA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(C)n[nH]2)C1 ZINC000988253268 636684225 /nfs/dbraw/zinc/68/42/25/636684225.db2.gz ZWSWKXPRMNSYBD-QWRGUYRKSA-N 1 0 246.314 0.544 20 30 BCEDRO C=CCN1CC(=O)N(CC[NH+](CC)CC)C1=O ZINC000925272967 636695636 /nfs/dbraw/zinc/69/56/36/636695636.db2.gz ROUPCOLCWRXZHN-UHFFFAOYSA-N 1 0 239.319 0.778 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)CC(N)=O)C1 ZINC000988424968 636707381 /nfs/dbraw/zinc/70/73/81/636707381.db2.gz WGFYPTZXOSMNDJ-VHSXEESVSA-N 1 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/nfs/dbraw/zinc/78/85/65/636788565.db2.gz MAGVUKIHVXDUSY-YPMHNXCESA-N 1 0 230.311 0.612 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cncn2C)C1 ZINC000989117975 636798891 /nfs/dbraw/zinc/79/88/91/636798891.db2.gz DSUFWZDKUUSTGY-WDEREUQCSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[N@H+](C)CCCN1C(=O)[C@@H]2CCCN2C1=O ZINC000925309347 636811880 /nfs/dbraw/zinc/81/18/80/636811880.db2.gz ZEHRTUZRWPQSMD-NSHDSACASA-N 1 0 249.314 0.368 20 30 BCEDRO C[C@@]1([NH2+]Cc2ccc(C#N)s2)CCNC1=O ZINC000897872365 636842335 /nfs/dbraw/zinc/84/23/35/636842335.db2.gz SVSKGWXAMROPAN-LLVKDONJSA-N 1 0 235.312 0.988 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001014382393 636854501 /nfs/dbraw/zinc/85/45/01/636854501.db2.gz HOCDYVYWCDXYMB-NXEZZACHSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccnn2)C1 ZINC000989594230 636867737 /nfs/dbraw/zinc/86/77/37/636867737.db2.gz QUPOVSMWXHFXAL-QWRGUYRKSA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2cncn2)C1 ZINC000989752249 636880438 /nfs/dbraw/zinc/88/04/38/636880438.db2.gz LQFYDAJSEWULTH-GHMZBOCLSA-N 1 0 249.318 0.043 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn(C)n2)C1 ZINC000989794634 636881869 /nfs/dbraw/zinc/88/18/69/636881869.db2.gz ZPZCGIWYDCBNBZ-GHMZBOCLSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CCN1CCCN(C(=O)c2[nH]cnc2C)CC1 ZINC000989806327 636883742 /nfs/dbraw/zinc/88/37/42/636883742.db2.gz DHAAWBRZQRBXPW-UHFFFAOYSA-N 1 0 246.314 0.499 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2ccnc2)C1 ZINC000989853062 636884807 /nfs/dbraw/zinc/88/48/07/636884807.db2.gz FBPFPPZFWOTOIE-NEPJUHHUSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ccccn2)CC1 ZINC000989853145 636885637 /nfs/dbraw/zinc/88/56/37/636885637.db2.gz XPQIGDRETGQDTD-UHFFFAOYSA-N 1 0 243.310 0.909 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000989876747 636889909 /nfs/dbraw/zinc/88/99/09/636889909.db2.gz HUYGABHSSQULIW-UHFFFAOYSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000990029673 636914848 /nfs/dbraw/zinc/91/48/48/636914848.db2.gz MLWUQZOZXQKBTL-UHFFFAOYSA-N 1 0 232.287 0.237 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC([NH2+]CCF)CC1 ZINC000990261392 636926177 /nfs/dbraw/zinc/92/61/77/636926177.db2.gz FLZCSSRWVXFPRP-SECBINFHSA-N 1 0 227.283 0.696 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925332501 636930676 /nfs/dbraw/zinc/93/06/76/636930676.db2.gz WDOVIVNEAMEUSP-IVZWLZJFSA-N 1 0 211.309 0.953 20 30 BCEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927035784 637007943 /nfs/dbraw/zinc/00/79/43/637007943.db2.gz XRDOYZQYHDEVTD-GHMZBOCLSA-N 1 0 249.376 0.726 20 30 BCEDRO C#CCN(CC#C)C(=O)C(=C)CC[NH+](C)C ZINC000900906061 637199455 /nfs/dbraw/zinc/19/94/55/637199455.db2.gz GZJJAVKFGAJVCY-UHFFFAOYSA-N 1 0 218.300 0.589 20 30 BCEDRO C=CCCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC000901213759 637235002 /nfs/dbraw/zinc/23/50/02/637235002.db2.gz QOKFOQKDECKNHS-UHFFFAOYSA-N 1 0 238.331 0.791 20 30 BCEDRO CC(=NNC12CC(C1)C2)c1c[nH]c(N)[nH+]1 ZINC000901261235 637239186 /nfs/dbraw/zinc/23/91/86/637239186.db2.gz XUNIWTUUQWCGPJ-UHFFFAOYSA-N 1 0 205.265 0.858 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)c2cn(C)nn2)C1 ZINC000903092855 637343336 /nfs/dbraw/zinc/34/33/36/637343336.db2.gz DSJJRENXAKRDAW-VXGBXAGGSA-N 1 0 247.346 0.563 20 30 BCEDRO Cc1ncc(CO)c(/C=N\C[C@@H]2CC[N@H+]2C)c1O ZINC000905001956 637537982 /nfs/dbraw/zinc/53/79/82/637537982.db2.gz DBHANIDFEMLOKQ-ODYDIQAQSA-N 1 0 249.314 0.711 20 30 BCEDRO C[N@@H+]1CC[C@@H]1C/N=C/c1ccc(O)c(O)c1O ZINC000905004018 637541029 /nfs/dbraw/zinc/54/10/29/637541029.db2.gz ZCBZWOMTXOBZKO-UWZPUTRXSA-N 1 0 236.271 0.926 20 30 BCEDRO C=CC[NH+]1CCC(NCC[N+](=O)[O-])CC1 ZINC000905097643 637633498 /nfs/dbraw/zinc/63/34/98/637633498.db2.gz OYMIRRGLOSMKDS-UHFFFAOYSA-N 1 0 213.281 0.503 20 30 BCEDRO C#CCCCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905160280 637638544 /nfs/dbraw/zinc/63/85/44/637638544.db2.gz QYZVTCLSJOZGHM-LBPRGKRZSA-N 1 0 241.331 0.282 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905203554 637696061 /nfs/dbraw/zinc/69/60/61/637696061.db2.gz RMZDHPUXJZDLLI-LBPRGKRZSA-N 1 0 243.347 0.835 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905243546 637703618 /nfs/dbraw/zinc/70/36/18/637703618.db2.gz JZWNTCCTAQOCSW-UWVGGRQHSA-N 1 0 214.265 0.834 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)C1(O)CCC1)C(C)C ZINC000905245870 637705762 /nfs/dbraw/zinc/70/57/62/637705762.db2.gz XWZSCYHTZKVXSJ-GHMZBOCLSA-N 1 0 211.305 0.510 20 30 BCEDRO N#CCC[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000905237717 637722597 /nfs/dbraw/zinc/72/25/97/637722597.db2.gz KKHJWUYXQOSDAK-LLVKDONJSA-N 1 0 226.320 0.793 20 30 BCEDRO N#CCC[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905238819 637724987 /nfs/dbraw/zinc/72/49/87/637724987.db2.gz YDUYPQKAWUSAMM-JTQLQIEISA-N 1 0 212.293 0.546 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905272893 637731696 /nfs/dbraw/zinc/73/16/96/637731696.db2.gz LFQKMYYMKZTWLL-VXGBXAGGSA-N 1 0 229.320 0.445 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)C2(O)CCCC2)C1 ZINC000905289868 637740036 /nfs/dbraw/zinc/74/00/36/637740036.db2.gz IXDJHPNSDMVZNI-QJPTWQEYSA-N 1 0 238.331 0.934 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2C[C@@H]2C)[C@H]1C ZINC001074804725 711444020 /nfs/dbraw/zinc/44/40/20/711444020.db2.gz MUPOLVYTWLVAFG-BJDJZHNGSA-N 1 0 220.316 0.855 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905351749 637771633 /nfs/dbraw/zinc/77/16/33/637771633.db2.gz BLRRQJPMEKWFRC-NEPJUHHUSA-N 1 0 243.347 0.569 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@](C)(O)C(F)F ZINC000905354954 637773914 /nfs/dbraw/zinc/77/39/14/637773914.db2.gz QIFFANYVUPYWRK-PSASIEDQSA-N 1 0 223.263 0.919 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905356532 637774933 /nfs/dbraw/zinc/77/49/33/637774933.db2.gz GDVXCAXDUBNULS-MNOVXSKESA-N 1 0 229.320 0.179 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905356531 637775256 /nfs/dbraw/zinc/77/52/56/637775256.db2.gz GDVXCAXDUBNULS-GHMZBOCLSA-N 1 0 229.320 0.179 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905366566 637789360 /nfs/dbraw/zinc/78/93/60/637789360.db2.gz PDZNYVVSAXWLJF-VXGBXAGGSA-N 1 0 243.347 0.427 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@](C)(O)C(F)F ZINC000905400762 637794399 /nfs/dbraw/zinc/79/43/99/637794399.db2.gz VYMLPJHGVVPEIF-PSASIEDQSA-N 1 0 221.247 0.630 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@](C)(O)C(F)F ZINC000905400765 637795041 /nfs/dbraw/zinc/79/50/41/637795041.db2.gz VYMLPJHGVVPEIF-WPRPVWTQSA-N 1 0 221.247 0.630 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)COCC ZINC000905450640 637810437 /nfs/dbraw/zinc/81/04/37/637810437.db2.gz HQFGXOMUWWHIJX-QWRGUYRKSA-N 1 0 217.309 0.301 20 30 BCEDRO C=C/C=C/CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000905425046 637811593 /nfs/dbraw/zinc/81/15/93/637811593.db2.gz MJLMRXRPMUKEOJ-IHVVCDCBSA-N 1 0 237.347 0.915 20 30 BCEDRO C=C/C=C\CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000905425048 637811950 /nfs/dbraw/zinc/81/19/50/637811950.db2.gz MJLMRXRPMUKEOJ-ZFDPJTLLSA-N 1 0 237.347 0.915 20 30 BCEDRO CCN1CC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000905439388 637816527 /nfs/dbraw/zinc/81/65/27/637816527.db2.gz BZJLLZJLIMLABP-VXGBXAGGSA-N 1 0 237.347 0.725 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)CCOCC ZINC000905454932 637820405 /nfs/dbraw/zinc/82/04/05/637820405.db2.gz VWGVQIRCZSCJNO-RYUDHWBXSA-N 1 0 231.336 0.691 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)COC(C)C ZINC000905455226 637820483 /nfs/dbraw/zinc/82/04/83/637820483.db2.gz XNDLYVDNQVCMJM-RYUDHWBXSA-N 1 0 231.336 0.689 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000905455537 637821840 /nfs/dbraw/zinc/82/18/40/637821840.db2.gz ZCPUQIFMBOXJEC-UWVGGRQHSA-N 1 0 235.349 0.336 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000905459217 637823149 /nfs/dbraw/zinc/82/31/49/637823149.db2.gz FXAZYXWHYCCGRK-STQMWFEESA-N 1 0 222.332 0.445 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C[C@H](O)CC)C1 ZINC000905458621 637823773 /nfs/dbraw/zinc/82/37/73/637823773.db2.gz AZLQZDOKCWQTPF-VXGBXAGGSA-N 1 0 210.321 0.445 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]CC2(O)CCC2)C1 ZINC000905460814 637824835 /nfs/dbraw/zinc/82/48/35/637824835.db2.gz NRAIJQPFAVUVPJ-GFCCVEGCSA-N 1 0 222.332 0.589 20 30 BCEDRO COC(=O)[C@@H](F)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000905488180 637833924 /nfs/dbraw/zinc/83/39/24/637833924.db2.gz CBGSDAXCUNKBOS-BDAKNGLRSA-N 1 0 244.266 0.142 20 30 BCEDRO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CCN1C ZINC000905541953 637839781 /nfs/dbraw/zinc/83/97/81/637839781.db2.gz GQVPECSBBXVYDH-WOPDTQHZSA-N 1 0 237.347 0.723 20 30 BCEDRO C[C@@H]1[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CCN1C ZINC000905543844 637840749 /nfs/dbraw/zinc/84/07/49/637840749.db2.gz RNSDPDDZSZSVLN-UTUOFQBUSA-N 1 0 239.363 0.969 20 30 BCEDRO CN1CC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000905546250 637840947 /nfs/dbraw/zinc/84/09/47/637840947.db2.gz KXXXXDARYHUHSC-GHMZBOCLSA-N 1 0 225.336 0.581 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=S)NC2CC2)C1 ZINC000905570331 637850506 /nfs/dbraw/zinc/85/05/06/637850506.db2.gz IBTXRNSGIAUMKG-LLVKDONJSA-N 1 0 237.372 0.711 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1C=C[C@H]2C[C@@H]1CO2 ZINC000905569926 637850959 /nfs/dbraw/zinc/85/09/59/637850959.db2.gz TUVAYNQVHXKQBT-XQQFMLRXSA-N 1 0 248.326 0.307 20 30 BCEDRO C#CCNC(=S)NC[C@H]1CC[N@H+]1CC ZINC000905547940 637851603 /nfs/dbraw/zinc/85/16/03/637851603.db2.gz NYRDGAPOURNZNZ-SECBINFHSA-N 1 0 211.334 0.178 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCS[C@@H](C)C1 ZINC000905604221 637852247 /nfs/dbraw/zinc/85/22/47/637852247.db2.gz CNDDGAROGTUJKG-QWRGUYRKSA-N 1 0 240.372 1.000 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@]1(C)CCCCO1 ZINC000905596892 637858982 /nfs/dbraw/zinc/85/89/82/637858982.db2.gz RCOHYWGMKAKECZ-CYBMUJFWSA-N 1 0 238.331 0.675 20 30 BCEDRO N#CCCNC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000905619124 637868890 /nfs/dbraw/zinc/86/88/90/637868890.db2.gz KQLVJEWXUVBRAI-GFCCVEGCSA-N 1 0 223.320 0.743 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000905658462 637874067 /nfs/dbraw/zinc/87/40/67/637874067.db2.gz FXQAVPNTGGNLNG-FQIARQCESA-N 1 0 248.326 0.807 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]C/C=C\Cl ZINC000905709777 637891843 /nfs/dbraw/zinc/89/18/43/637891843.db2.gz ZPNHSVJIOSPKID-WUWIAWFRSA-N 1 0 231.727 0.535 20 30 BCEDRO Cc1ccn(C[C@@H]2C[NH2+]C[C@H]2C)c(=O)c1C#N ZINC000905732711 637902460 /nfs/dbraw/zinc/90/24/60/637902460.db2.gz ACIWHCJULXZVFS-MNOVXSKESA-N 1 0 231.299 0.884 20 30 BCEDRO Cc1cc(C#N)cc(C)c1Cn1nnnc1C[NH3+] ZINC000905734220 637903380 /nfs/dbraw/zinc/90/33/80/637903380.db2.gz JIHNLMKSHNBQTO-UHFFFAOYSA-N 1 0 242.286 0.669 20 30 BCEDRO C[C@H]([NH2+][C@@H]1COC[C@H]1C)C(=O)N(C)CCC#N ZINC000905869008 637955224 /nfs/dbraw/zinc/95/52/24/637955224.db2.gz XVYWDVRMSJXXBN-OUAUKWLOSA-N 1 0 239.319 0.371 20 30 BCEDRO CC[C@H](C(=O)NC1(C#N)CCOCC1)[NH+](C)C ZINC000906710158 638235510 /nfs/dbraw/zinc/23/55/10/638235510.db2.gz JWKPYHPHMOHDIJ-SNVBAGLBSA-N 1 0 239.319 0.516 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2cn(C)cn2)CC1 ZINC000991089036 638308542 /nfs/dbraw/zinc/30/85/42/638308542.db2.gz GKRFUOPHIGODAX-UHFFFAOYSA-N 1 0 248.330 0.800 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[C@H](C)O ZINC000907312051 638339013 /nfs/dbraw/zinc/33/90/13/638339013.db2.gz HJWVPKGPLBEYPA-MNOVXSKESA-N 1 0 228.336 0.770 20 30 BCEDRO CN1C[C@H](O)C[C@]1(C)C(=O)NCC(C)(C)C#N ZINC000907296089 638342912 /nfs/dbraw/zinc/34/29/12/638342912.db2.gz PBQJFGRMISCQTD-BXKDBHETSA-N 1 0 239.319 0.107 20 30 BCEDRO CN1C[C@H](O)C[C@@]1(C)C(=O)NCC(C)(C)C#N ZINC000907296095 638343241 /nfs/dbraw/zinc/34/32/41/638343241.db2.gz PBQJFGRMISCQTD-SKDRFNHKSA-N 1 0 239.319 0.107 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCCC#N ZINC000907322494 638354939 /nfs/dbraw/zinc/35/49/39/638354939.db2.gz YVKWXFFUKJKVRQ-UHFFFAOYSA-N 1 0 209.293 0.914 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CO)C/C=C\C ZINC000907453363 638387218 /nfs/dbraw/zinc/38/72/18/638387218.db2.gz XQLOPDRWVHWINV-FJOGCWAESA-N 1 0 240.347 0.938 20 30 BCEDRO C#C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCO1 ZINC000907489012 638389534 /nfs/dbraw/zinc/38/95/34/638389534.db2.gz VPFXDNAOXCLBOP-NEPJUHHUSA-N 1 0 248.326 0.379 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000907501349 638394976 /nfs/dbraw/zinc/39/49/76/638394976.db2.gz MZGCFLCGDKJTJZ-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCN(C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907518128 638401472 /nfs/dbraw/zinc/40/14/72/638401472.db2.gz KXOJRVZOOYVLBG-LBPRGKRZSA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCN(C)C(=O)c1ccnn1CC[NH+](C)C ZINC000907518083 638401495 /nfs/dbraw/zinc/40/14/95/638401495.db2.gz JMLBHIADCHPGGY-UHFFFAOYSA-N 1 0 236.319 0.703 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(OC(F)F)C1 ZINC000907581678 638409573 /nfs/dbraw/zinc/40/95/73/638409573.db2.gz JVSBREVDYNYVLK-UHFFFAOYSA-N 1 0 248.273 0.944 20 30 BCEDRO N#C[C@]1(F)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907635731 638427356 /nfs/dbraw/zinc/42/73/56/638427356.db2.gz MFYZWOMQYZQZJG-GFCCVEGCSA-N 1 0 237.278 0.546 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCO[C@H](OC)C1 ZINC000907618622 638435024 /nfs/dbraw/zinc/43/50/24/638435024.db2.gz VONYNKQZYDWTPJ-NSHDSACASA-N 1 0 242.319 0.326 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@H](O)C1 ZINC000907679791 638439750 /nfs/dbraw/zinc/43/97/50/638439750.db2.gz WKIPSNUMBAIFKB-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C#C[C@@H](CC)NC(=O)c1ccnn1CC[NH+](C)C ZINC000907717198 638455921 /nfs/dbraw/zinc/45/59/21/638455921.db2.gz YKYNNVOOLMOKLL-NSHDSACASA-N 1 0 248.330 0.586 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907773196 638466785 /nfs/dbraw/zinc/46/67/85/638466785.db2.gz BRDCEXIBNXPXEP-DGCLKSJQSA-N 1 0 238.331 0.313 20 30 BCEDRO C#C[C@H](NC(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C)C(C)C ZINC000907965530 638528894 /nfs/dbraw/zinc/52/88/94/638528894.db2.gz FYXUNVRLIPBGEX-GVXVVHGQSA-N 1 0 238.331 0.216 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000907980443 638533595 /nfs/dbraw/zinc/53/35/95/638533595.db2.gz WECOKOVARLYKJO-STQMWFEESA-N 1 0 245.326 0.989 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907980440 638533986 /nfs/dbraw/zinc/53/39/86/638533986.db2.gz WECOKOVARLYKJO-CHWSQXEVSA-N 1 0 245.326 0.989 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCC1(O)CCC1 ZINC000908086364 638562726 /nfs/dbraw/zinc/56/27/26/638562726.db2.gz SZWWPVNCVOKHEU-UHFFFAOYSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](C)OC1=O ZINC000908208104 638611254 /nfs/dbraw/zinc/61/12/54/638611254.db2.gz MQDILGFFJXCHJN-UWVGGRQHSA-N 1 0 240.303 0.315 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1[nH]c(C)nc1C ZINC000908435136 638711350 /nfs/dbraw/zinc/71/13/50/638711350.db2.gz DLWYDFLXVDPGEK-UHFFFAOYSA-N 1 0 248.330 0.711 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)[C@@H](O)CC ZINC000908436911 638713489 /nfs/dbraw/zinc/71/34/89/638713489.db2.gz ZOEHVDHBTRDPKP-NEPJUHHUSA-N 1 0 240.347 0.465 20 30 BCEDRO CC#CC(=O)N1CCC[N@@H+](CC)C[C@@H]1C ZINC000910280099 639404158 /nfs/dbraw/zinc/40/41/58/639404158.db2.gz PZCCPFUVOKVNHV-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cc(C)[nH]c(=O)c1 ZINC000911097238 639578457 /nfs/dbraw/zinc/57/84/57/639578457.db2.gz TVRDLCFYJOLBQX-UHFFFAOYSA-N 1 0 249.314 0.830 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C23CC[NH+](CC2)C3)C1 ZINC000911289372 639618500 /nfs/dbraw/zinc/61/85/00/639618500.db2.gz ZAOYXXQVBTVNSO-WDEREUQCSA-N 1 0 233.315 0.891 20 30 BCEDRO CC1(C)C[N@H+](C[C@H](O)CC#N)CC[C@H]1O ZINC000930248573 639657345 /nfs/dbraw/zinc/65/73/45/639657345.db2.gz BEQKNKLPLGFGAZ-NXEZZACHSA-N 1 0 212.293 0.354 20 30 BCEDRO Cc1c(CN(C)C[C@H](O)CC#N)cnn1C ZINC000930268924 639673146 /nfs/dbraw/zinc/67/31/46/639673146.db2.gz STLCIHIIARVFML-LLVKDONJSA-N 1 0 222.292 0.435 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000911632652 639691046 /nfs/dbraw/zinc/69/10/46/639691046.db2.gz AXZFZGYWQQQLLB-JQWIXIFHSA-N 1 0 226.320 0.381 20 30 BCEDRO N#CC1(C(=O)NCCC[NH3+])CCSCC1 ZINC000911648252 639704591 /nfs/dbraw/zinc/70/45/91/639704591.db2.gz NXAHOVPEOJXWMJ-UHFFFAOYSA-N 1 0 227.333 0.488 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911651860 639706326 /nfs/dbraw/zinc/70/63/26/639706326.db2.gz GAGXHCNGYNBEGN-VWYCJHECSA-N 1 0 224.304 0.527 20 30 BCEDRO CCC(CC)(CCO)[NH2+]C[C@H](O)CC#N ZINC000930349184 639724350 /nfs/dbraw/zinc/72/43/50/639724350.db2.gz JDFYBZKBKUJIDT-SNVBAGLBSA-N 1 0 214.309 0.792 20 30 BCEDRO N#CC1(C(=O)N[C@H]2CC[NH2+]C2)CCCCC1 ZINC000911695523 639730944 /nfs/dbraw/zinc/73/09/44/639730944.db2.gz LYCJPAHYBRXUPR-JTQLQIEISA-N 1 0 221.304 0.939 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2CC[NH2+]C2)CCSCC1 ZINC000911699048 639732083 /nfs/dbraw/zinc/73/20/83/639732083.db2.gz OKYZYQQNXWASAC-SECBINFHSA-N 1 0 239.344 0.501 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713896 639740467 /nfs/dbraw/zinc/74/04/67/639740467.db2.gz MFGGRFYKNBMBAW-KOLCDFICSA-N 1 0 212.293 0.182 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000911739952 639766490 /nfs/dbraw/zinc/76/64/90/639766490.db2.gz DZQRKBKJHPOFTL-HBNTYKKESA-N 1 0 226.320 0.821 20 30 BCEDRO CC#CC[N@H+](C)C[C@H]1CCC2(COC2)O1 ZINC000930588283 639814902 /nfs/dbraw/zinc/81/49/02/639814902.db2.gz GLEQDUDCVAYUNT-LLVKDONJSA-N 1 0 209.289 0.890 20 30 BCEDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C[C@H](O)CC#N)C2 ZINC000930602715 639817058 /nfs/dbraw/zinc/81/70/58/639817058.db2.gz YFKKUYGZDIPSAD-CHWSQXEVSA-N 1 0 237.347 0.679 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@H]1O ZINC000930622503 639826950 /nfs/dbraw/zinc/82/69/50/639826950.db2.gz GZQXKJDMCXLAFT-FDYHWXHSSA-N 1 0 238.331 0.886 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000930637667 639835816 /nfs/dbraw/zinc/83/58/16/639835816.db2.gz FDKNCLKDLFMIFK-OUAUKWLOSA-N 1 0 227.304 0.195 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)[C@H](C)O ZINC000930650785 639845154 /nfs/dbraw/zinc/84/51/54/639845154.db2.gz QREHXRHTBMBUGE-ZDCRXTMVSA-N 1 0 215.293 0.051 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000911818733 639850402 /nfs/dbraw/zinc/85/04/02/639850402.db2.gz AXSYIPHLRMZJLH-SCVCMEIPSA-N 1 0 226.320 0.509 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000911817311 639850479 /nfs/dbraw/zinc/85/04/79/639850479.db2.gz HCFLEPZIPIGFFO-KKZNHRDASA-N 1 0 212.293 0.119 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000911871294 639852651 /nfs/dbraw/zinc/85/26/51/639852651.db2.gz RTOYLZORDSUQGG-JQWIXIFHSA-N 1 0 228.336 0.755 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC([NH3+])(CC)CC ZINC000911858420 639861498 /nfs/dbraw/zinc/86/14/98/639861498.db2.gz QINRFLKCHDGIQO-JTQLQIEISA-N 1 0 214.309 0.557 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000930693461 639864126 /nfs/dbraw/zinc/86/41/26/639864126.db2.gz OIRQPCWTCVPLBZ-MNOVXSKESA-N 1 0 226.320 0.934 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000930693463 639864771 /nfs/dbraw/zinc/86/47/71/639864771.db2.gz OIRQPCWTCVPLBZ-WDEREUQCSA-N 1 0 226.320 0.934 20 30 BCEDRO CCn1nccc1NC(=O)NCC#CC[NH+](C)C ZINC000930711264 639876299 /nfs/dbraw/zinc/87/62/99/639876299.db2.gz JWZDIYIZDVDPDW-UHFFFAOYSA-N 1 0 249.318 0.590 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911920657 639878788 /nfs/dbraw/zinc/87/87/88/639878788.db2.gz ZWARXOXRQHVDSN-PWSUYJOCSA-N 1 0 224.304 0.300 20 30 BCEDRO C=CCNC(=O)[C@@H]1CC[NH2+][C@H]([C@H]2CCCO2)C1 ZINC000911925932 639882390 /nfs/dbraw/zinc/88/23/90/639882390.db2.gz MBRKFBUUWMWKMN-GRYCIOLGSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCNc1ncccn1 ZINC000911929850 639896442 /nfs/dbraw/zinc/89/64/42/639896442.db2.gz SYOYNDYHRNPHPM-UHFFFAOYSA-N 1 0 249.318 0.123 20 30 BCEDRO CN(C[C@H](O)CC#N)C[C@H]1CCC[N@@H+]1C ZINC000930753545 639898120 /nfs/dbraw/zinc/89/81/20/639898120.db2.gz GOEYPQLNWHYKEL-GHMZBOCLSA-N 1 0 211.309 0.287 20 30 BCEDRO COC(=O)[C@@H]1C[N@H+](C[C@H](O)CC#N)C[C@H]1C ZINC000930803981 639911204 /nfs/dbraw/zinc/91/12/04/639911204.db2.gz FDFULWKLMBCDLY-OPRDCNLKSA-N 1 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240.347 0.866 20 30 BCEDRO CCc1cc(C(=O)NCC#CC[NH+](C)C)no1 ZINC000913525045 640379984 /nfs/dbraw/zinc/37/99/84/640379984.db2.gz ICQFBLDQSVWXLP-UHFFFAOYSA-N 1 0 235.287 0.532 20 30 BCEDRO C[C@@H]1C[C@@H](C(=O)NCC#CC[NH+](C)C)[C@@H](C)O1 ZINC000913525118 640380183 /nfs/dbraw/zinc/38/01/83/640380183.db2.gz KRMJOIYVWRLJOP-IJLUTSLNSA-N 1 0 238.331 0.481 20 30 BCEDRO Cc1cc(C(=O)NCC#CC[NH+](C)C)on1 ZINC000913516021 640380636 /nfs/dbraw/zinc/38/06/36/640380636.db2.gz XHUMAUQLXIJLNP-UHFFFAOYSA-N 1 0 221.260 0.278 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)CCc1ccco1 ZINC000913516024 640380739 /nfs/dbraw/zinc/38/07/39/640380739.db2.gz XJMSSFPNMWFIEQ-UHFFFAOYSA-N 1 0 234.299 0.893 20 30 BCEDRO C[C@H]1OCC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913520113 640381762 /nfs/dbraw/zinc/38/17/62/640381762.db2.gz CZLDMFYQKWKRBH-GHMZBOCLSA-N 1 0 224.304 0.093 20 30 BCEDRO C[C@H]1OCC[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913520114 640382143 /nfs/dbraw/zinc/38/21/43/640382143.db2.gz CZLDMFYQKWKRBH-MNOVXSKESA-N 1 0 224.304 0.093 20 30 BCEDRO Cn1ccc(C(=O)NCC#CC[NH+](C)C)c1 ZINC000913519906 640382352 /nfs/dbraw/zinc/38/23/52/640382352.db2.gz UGBMFNXZYNAUOS-UHFFFAOYSA-N 1 0 219.288 0.320 20 30 BCEDRO COCC1(C(=O)NCC#CC[NH+](C)C)CC1 ZINC000913520188 640382469 /nfs/dbraw/zinc/38/24/69/640382469.db2.gz HSKALWQGXHFKRM-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CCC=CO1 ZINC000913520742 640382736 /nfs/dbraw/zinc/38/27/36/640382736.db2.gz WRTYPZJLTBITEZ-NSHDSACASA-N 1 0 222.288 0.360 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)CCc1c[nH]cn1 ZINC000913521196 640383416 /nfs/dbraw/zinc/38/34/16/640383416.db2.gz OGNPIWTXOIZOMV-UHFFFAOYSA-N 1 0 234.303 0.024 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Cc1ccoc1 ZINC000913521304 640383631 /nfs/dbraw/zinc/38/36/31/640383631.db2.gz SVFYWOOFTHFAER-UHFFFAOYSA-N 1 0 220.272 0.503 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](c2noc(C)n2)C1 ZINC000931935035 640393114 /nfs/dbraw/zinc/39/31/14/640393114.db2.gz CKWHXPGPKALOLL-NSHDSACASA-N 1 0 235.287 0.817 20 30 BCEDRO 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C#CCCN1CC(NC(=O)c2cnc(C)cn2)C1 ZINC001030069925 640575548 /nfs/dbraw/zinc/57/55/48/640575548.db2.gz PMDPXRKZQLBIIB-UHFFFAOYSA-N 1 0 244.298 0.222 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C(=O)OCC)C1 ZINC000932640722 640595283 /nfs/dbraw/zinc/59/52/83/640595283.db2.gz DAWFMSZLKGLFMO-GHMZBOCLSA-N 1 0 227.304 0.808 20 30 BCEDRO C#CC[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932785450 640609606 /nfs/dbraw/zinc/60/96/06/640609606.db2.gz VBFUMPOGFJDFTI-JTQLQIEISA-N 1 0 208.261 0.440 20 30 BCEDRO C=C(C)C[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000932830927 640614580 /nfs/dbraw/zinc/61/45/80/640614580.db2.gz GJFFMLQLQSHCGG-LLVKDONJSA-N 1 0 238.331 0.526 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946593 640649719 /nfs/dbraw/zinc/64/97/19/640649719.db2.gz HMAMSTZJZQZDIY-SECBINFHSA-N 1 0 218.322 0.173 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932953385 640652784 /nfs/dbraw/zinc/65/27/84/640652784.db2.gz XILFOQJJWLQUFN-WDEREUQCSA-N 1 0 244.360 0.399 20 30 BCEDRO CCNC(=O)C(C)(C)CNC(NC1CC1)=[NH+]C ZINC000157365426 640669454 /nfs/dbraw/zinc/66/94/54/640669454.db2.gz PSEORXKEDYWHPX-UHFFFAOYSA-N 1 0 240.351 0.476 20 30 BCEDRO C#CCC1([NH2+]C[C@@H](O)CO)CCCCC1 ZINC000933262573 640692187 /nfs/dbraw/zinc/69/21/87/640692187.db2.gz ATBGAORBRHXEOE-LLVKDONJSA-N 1 0 211.305 0.655 20 30 BCEDRO C#CCC1([NH2+]CCN2C(=O)CNC2=O)CCC1 ZINC000933301382 640695748 /nfs/dbraw/zinc/69/57/48/640695748.db2.gz NPBLRUYZYNXGNY-UHFFFAOYSA-N 1 0 235.287 0.074 20 30 BCEDRO C#CCC1([NH2+]C[C@H](O)Cn2cccn2)CCC1 ZINC000933301353 640702479 /nfs/dbraw/zinc/70/24/79/640702479.db2.gz NHQFCXLXSLQKHH-LBPRGKRZSA-N 1 0 233.315 0.780 20 30 BCEDRO C#CCC1([NH2+]CC(=O)N2CCC2)CCC1 ZINC000933302882 640702670 /nfs/dbraw/zinc/70/26/70/640702670.db2.gz JNDBHASCLMWHRP-UHFFFAOYSA-N 1 0 206.289 0.754 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000226001975 640722998 /nfs/dbraw/zinc/72/29/98/640722998.db2.gz CQZUEIGSHSPROT-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO 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30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](CC)CCC(=O)NC ZINC000933868756 640776551 /nfs/dbraw/zinc/77/65/51/640776551.db2.gz ATKHYYZSKIOJRS-JTQLQIEISA-N 1 0 241.335 0.135 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+](CC)CCC(=O)NC ZINC000933868357 640777219 /nfs/dbraw/zinc/77/72/19/640777219.db2.gz VZYXDORHZYLEOT-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933970375 640799178 /nfs/dbraw/zinc/79/91/78/640799178.db2.gz IKXARRHXENUTET-FRRDWIJNSA-N 1 0 241.331 0.803 20 30 BCEDRO CCC#C[C@H](C)N1CCN(C)CC[N@H+](C)CC1 ZINC000933992916 640801956 /nfs/dbraw/zinc/80/19/56/640801956.db2.gz PYPWJTYJYBZMAP-AWEZNQCLSA-N 1 0 237.391 0.968 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000934009553 640805360 /nfs/dbraw/zinc/80/53/60/640805360.db2.gz JXOGZOGLSBZDQR-NEPJUHHUSA-N 1 0 226.320 0.792 20 30 BCEDRO CC(C)[C@@H](CCO)[NH2+]CC(=O)NCCC#N ZINC000227013207 640809762 /nfs/dbraw/zinc/80/97/62/640809762.db2.gz WELJHUOZEPKFCE-SNVBAGLBSA-N 1 0 227.308 0.013 20 30 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N#CCCCN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934256868 641113198 /nfs/dbraw/zinc/11/31/98/641113198.db2.gz WHECJUIDOQITQB-QWHCGFSZSA-N 1 0 237.347 0.821 20 30 BCEDRO C#CC1(O)CN(CCC[NH+]2CCCCC2)C1 ZINC000934447447 641143242 /nfs/dbraw/zinc/14/32/42/641143242.db2.gz CIYFIEQBEUGOMI-UHFFFAOYSA-N 1 0 222.332 0.542 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCC(=O)NCC(=O)OC ZINC000934469712 641163361 /nfs/dbraw/zinc/16/33/61/641163361.db2.gz YNZUMTCNYHGLLH-JTQLQIEISA-N 1 0 240.303 0.316 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1C[C@@H]1CCC(=O)N1 ZINC000934515791 641183275 /nfs/dbraw/zinc/18/32/75/641183275.db2.gz RXNFCWNPUFRCKJ-WDEREUQCSA-N 1 0 206.289 0.753 20 30 BCEDRO C#C[C@@H]1CCCC[N@@H+]1C[C@@H]1COCCO1 ZINC000934515927 641184478 /nfs/dbraw/zinc/18/44/78/641184478.db2.gz UKDGPTVNGADZHH-VXGBXAGGSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000971148287 641196190 /nfs/dbraw/zinc/19/61/90/641196190.db2.gz ABNOWZPMDASACN-LLVKDONJSA-N 1 0 246.314 0.498 20 30 BCEDRO 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C[NH+]1CCC(OCC(=O)NCCCC#N)CC1 ZINC000935339889 641390729 /nfs/dbraw/zinc/39/07/29/641390729.db2.gz YONJSFAGWBUDII-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO C=C[C@H](CC)CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000935399479 641401608 /nfs/dbraw/zinc/40/16/08/641401608.db2.gz KPWMRSSTKYWABP-DGCLKSJQSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@@H](CC)CC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000935399480 641402084 /nfs/dbraw/zinc/40/20/84/641402084.db2.gz KPWMRSSTKYWABP-WCQYABFASA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccnnc2C)C1 ZINC001015122132 641403347 /nfs/dbraw/zinc/40/33/47/641403347.db2.gz YCRAJRYWNIFTSM-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C(C)C ZINC000491383351 641433488 /nfs/dbraw/zinc/43/34/88/641433488.db2.gz LMGHHIQQBCRICZ-OLZOCXBDSA-N 1 0 237.347 0.440 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NC12CC[NH+](CC1)C2 ZINC000913630539 641434008 /nfs/dbraw/zinc/43/40/08/641434008.db2.gz CFNWVFIHVQHFRS-UHFFFAOYSA-N 1 0 244.298 0.475 20 30 BCEDRO 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0.575 20 30 BCEDRO CC[NH+]=C(NCCO)NC[C@@]1(C)CCCS1 ZINC000159262446 641673127 /nfs/dbraw/zinc/67/31/27/641673127.db2.gz GDLQCEXLUIETKB-LLVKDONJSA-N 1 0 245.392 0.820 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925415218 641733171 /nfs/dbraw/zinc/73/31/71/641733171.db2.gz DRWMINNPDKOXTG-ZJUUUORDSA-N 1 0 209.293 0.354 20 30 BCEDRO C#CCC1(NC(=O)[C@H](C)[NH+](C)C)CCOCC1 ZINC000925415797 641736097 /nfs/dbraw/zinc/73/60/97/641736097.db2.gz GTFUCYGTDUYLSK-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C[C@H]1C ZINC000947485226 641740130 /nfs/dbraw/zinc/74/01/30/641740130.db2.gz WQOSFYBFEZANKZ-NXEZZACHSA-N 1 0 247.302 0.021 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C[C@H]1C ZINC000947485185 641741330 /nfs/dbraw/zinc/74/13/30/641741330.db2.gz VOMFKZRJZZGKIJ-ZJUUUORDSA-N 1 0 249.318 0.573 20 30 BCEDRO CCOCC[N@H+](CC)CC(=O)NCCC#N ZINC000730809037 641750876 /nfs/dbraw/zinc/75/08/76/641750876.db2.gz WQRNGICSFOQZBZ-UHFFFAOYSA-N 1 0 227.308 0.375 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)c2cnon2)C[C@H]1C ZINC000947833179 641758964 /nfs/dbraw/zinc/75/89/64/641758964.db2.gz RIOFMIPCJKKZEG-ZJUUUORDSA-N 1 0 248.286 0.286 20 30 BCEDRO NC(=[NH2+])N=NC=C1COc2ccccc2C1 ZINC000915050594 641794384 /nfs/dbraw/zinc/79/43/84/641794384.db2.gz BTVPOTJBLOVEMM-UHFFFAOYSA-N 1 0 216.244 0.931 20 30 BCEDRO CCOc1ccc(O)c(C=NNC(N)=[NH2+])c1 ZINC000915050790 641794447 /nfs/dbraw/zinc/79/44/47/641794447.db2.gz JBSDEWKIDURAPS-UHFFFAOYSA-N 1 0 222.248 0.608 20 30 BCEDRO C=CCSCCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000915204270 641810172 /nfs/dbraw/zinc/81/01/72/641810172.db2.gz APPIOEXXNAHXIP-SNVBAGLBSA-N 1 0 243.376 0.909 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000732306489 641828781 /nfs/dbraw/zinc/82/87/81/641828781.db2.gz XKQFVDKRJIOCGY-ZDUSSCGKSA-N 1 0 249.358 0.296 20 30 BCEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C#CC1CC1 ZINC000837464904 641854611 /nfs/dbraw/zinc/85/46/11/641854611.db2.gz LSZCUUNCDVGJRR-MFKMUULPSA-N 1 0 232.327 0.999 20 30 BCEDRO C=C(C)C[N@H+]1CCC[C@H](NC(=O)C(N)=O)[C@H]1C ZINC000993728282 641879781 /nfs/dbraw/zinc/87/97/81/641879781.db2.gz HYCQPHKIRIOORK-ZJUUUORDSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CC[C@H]1CCN(C(=O)NC[C@@H]2CC[N@H+]2C)C1 ZINC000925431733 641983910 /nfs/dbraw/zinc/98/39/10/641983910.db2.gz JRLXTQFHLVBVCD-RYUDHWBXSA-N 1 0 235.331 0.745 20 30 BCEDRO COCCNC(=[NH2+])NCCCC(=O)OC(C)C ZINC000154333338 642033921 /nfs/dbraw/zinc/03/39/21/642033921.db2.gz APDGAKZYXFJFBJ-UHFFFAOYSA-N 1 0 245.323 0.269 20 30 BCEDRO CC(C)OC(=O)CCCNC(=[NH2+])N(C)C ZINC000154576439 642144086 /nfs/dbraw/zinc/14/40/86/642144086.db2.gz LPMFXZGKNDYSNC-UHFFFAOYSA-N 1 0 215.297 0.595 20 30 BCEDRO C#CCOCCC(=O)NCC[N@@H+](CC)CCC ZINC000154704555 642188953 /nfs/dbraw/zinc/18/89/53/642188953.db2.gz ZCJRAAUPRMRWHO-UHFFFAOYSA-N 1 0 240.347 0.874 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)C2CCC2)C1 ZINC001031511094 642239374 /nfs/dbraw/zinc/23/93/74/642239374.db2.gz VKAGWMZHDOQYRE-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2cccnc2)C1 ZINC001031516853 642251838 /nfs/dbraw/zinc/25/18/38/642251838.db2.gz NOESIIJETSSKFT-UHFFFAOYSA-N 1 0 243.310 0.767 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2ccco2)C1 ZINC001031517410 642251853 /nfs/dbraw/zinc/25/18/53/642251853.db2.gz KKHBAQJDWDTUDW-UHFFFAOYSA-N 1 0 232.283 0.965 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2cnccn2)C1 ZINC001031523683 642266127 /nfs/dbraw/zinc/26/61/27/642266127.db2.gz LUVIVHNHYMEJSR-UHFFFAOYSA-N 1 0 244.298 0.162 20 30 BCEDRO CC[N@H+](C)[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971211067 642326442 /nfs/dbraw/zinc/32/64/42/642326442.db2.gz MQMDDGPEAVNVSP-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cnn(C)c2C)C1 ZINC001031550141 642293972 /nfs/dbraw/zinc/29/39/72/642293972.db2.gz MOFFSTSYELIUPS-UHFFFAOYSA-N 1 0 248.330 0.576 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001031565860 642312881 /nfs/dbraw/zinc/31/28/81/642312881.db2.gz GIWLOPKNTNMNSS-UHFFFAOYSA-N 1 0 246.314 0.403 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000971174830 642313919 /nfs/dbraw/zinc/31/39/19/642313919.db2.gz AJILTDGNMIPFOR-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H](CC)OC)C1 ZINC000971187572 642319385 /nfs/dbraw/zinc/31/93/85/642319385.db2.gz PAYHXZOINCNEHW-NWDGAFQWSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2ncoc2C)C1 ZINC001031571112 642323133 /nfs/dbraw/zinc/32/31/33/642323133.db2.gz GNOAZFLNUURAGK-UHFFFAOYSA-N 1 0 247.298 0.668 20 30 BCEDRO C=C(Cl)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000306293547 642324195 /nfs/dbraw/zinc/32/41/95/642324195.db2.gz UUSIZADBCFOLSP-SECBINFHSA-N 1 0 202.685 0.936 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2n[nH]c(C)c2C)C1 ZINC001031584108 642336461 /nfs/dbraw/zinc/33/64/61/642336461.db2.gz RDIUQRAEQCLJCE-UHFFFAOYSA-N 1 0 248.330 0.874 20 30 BCEDRO CC[N@@H+]1CCN(C[C@H](O)CC#N)C[C@@H]1C ZINC000930086220 642360735 /nfs/dbraw/zinc/36/07/35/642360735.db2.gz OLXQEUKNWNIHKN-WDEREUQCSA-N 1 0 211.309 0.287 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000971337245 642362373 /nfs/dbraw/zinc/36/23/73/642362373.db2.gz KLVQHPCPQSFHGC-CYBMUJFWSA-N 1 0 245.326 0.805 20 30 BCEDRO NC(=[NH2+])NN=Cc1cncc(Br)c1 ZINC000308084368 642364118 /nfs/dbraw/zinc/36/41/18/642364118.db2.gz CXVQXNVBIZANSI-UHFFFAOYSA-N 1 0 242.080 0.661 20 30 BCEDRO CC[NH+]1CC(CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC001031602687 642365498 /nfs/dbraw/zinc/36/54/98/642365498.db2.gz MNCASPKAVCZZQC-UHFFFAOYSA-N 1 0 232.287 0.568 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cn(C)cn2)C1 ZINC001031614611 642380504 /nfs/dbraw/zinc/38/05/04/642380504.db2.gz ORGQHVIAGSGAGR-UHFFFAOYSA-N 1 0 234.303 0.268 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000971387965 642395151 /nfs/dbraw/zinc/39/51/51/642395151.db2.gz BSZLCMYFCDNXEO-ZDUSSCGKSA-N 1 0 246.310 0.988 20 30 BCEDRO CCC[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031621711 642396365 /nfs/dbraw/zinc/39/63/65/642396365.db2.gz MZFNOEKMRMFUGS-UHFFFAOYSA-N 1 0 246.314 0.958 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001021848025 642403657 /nfs/dbraw/zinc/40/36/57/642403657.db2.gz AGMAEBQRFWWGMC-PHIMTYICSA-N 1 0 246.314 0.456 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2OCC)C1 ZINC001021855736 642408130 /nfs/dbraw/zinc/40/81/30/642408130.db2.gz GJKKNTCCJAKXHG-WRWGMCAJSA-N 1 0 238.331 0.834 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001021855550 642408958 /nfs/dbraw/zinc/40/89/58/642408958.db2.gz ZAJHWTYLHXJCBC-DTORHVGOSA-N 1 0 220.276 0.446 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000307505098 642411549 /nfs/dbraw/zinc/41/15/49/642411549.db2.gz KVQRTKGFUKAMHI-QMMMGPOBSA-N 1 0 202.685 0.997 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2cncnc2)C1 ZINC001031630780 642413018 /nfs/dbraw/zinc/41/30/18/642413018.db2.gz SWJYTYFRSPCHNH-UHFFFAOYSA-N 1 0 246.314 0.714 20 30 BCEDRO C#CC1(F)CN(C(=O)C(=C)CC[NH+](C)C)C1 ZINC000919961584 642413896 /nfs/dbraw/zinc/41/38/96/642413896.db2.gz SMNMPGQALQHMPW-UHFFFAOYSA-N 1 0 224.279 0.678 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnns2)C1 ZINC001021866715 642414355 /nfs/dbraw/zinc/41/43/55/642414355.db2.gz ALTMWFWUDHEBCH-OCAPTIKFSA-N 1 0 236.300 0.022 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2nccc(C)n2)C1 ZINC001031641743 642430268 /nfs/dbraw/zinc/43/02/68/642430268.db2.gz NKIZRSIQVQCCBX-UHFFFAOYSA-N 1 0 246.314 0.633 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001021886321 642435136 /nfs/dbraw/zinc/43/51/36/642435136.db2.gz VKIDSJHWIIHTRG-SDDRHHMPSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001021917254 642458372 /nfs/dbraw/zinc/45/83/72/642458372.db2.gz VTOPBQKFWYZQSF-SDDRHHMPSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001031651954 642464970 /nfs/dbraw/zinc/46/49/70/642464970.db2.gz NMHGMFVBDUEKPZ-UHFFFAOYSA-N 1 0 249.318 0.053 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2=CCCC2)C1 ZINC001021959699 642474351 /nfs/dbraw/zinc/47/43/51/642474351.db2.gz LXQDPQXOODNBFG-TXEJJXNPSA-N 1 0 218.300 0.967 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2(C)C)C1 ZINC001021977579 642480673 /nfs/dbraw/zinc/48/06/73/642480673.db2.gz WFYKJJFRNDEMQK-AXFHLTTASA-N 1 0 220.316 0.903 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2n[nH]cc2C)C1 ZINC001031659652 642486980 /nfs/dbraw/zinc/48/69/80/642486980.db2.gz MGCHQGIZIZHUOL-UHFFFAOYSA-N 1 0 234.303 0.566 20 30 BCEDRO C#CCC1([NH2+]CCS(=O)(=O)N(C)C)CCC1 ZINC000933296782 642506570 /nfs/dbraw/zinc/50/65/70/642506570.db2.gz NTPILUIGTPCGCX-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001022001139 642507608 /nfs/dbraw/zinc/50/76/08/642507608.db2.gz PIBFUFJGHDYHOE-TXEJJXNPSA-N 1 0 234.299 0.203 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000920754872 642545770 /nfs/dbraw/zinc/54/57/70/642545770.db2.gz HSACFISCUVHUIF-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C[C@H](C#N)CN(C)C(=S)NCCC[NH+](C)C ZINC000920995012 642567162 /nfs/dbraw/zinc/56/71/62/642567162.db2.gz QHFOWDCZVIIIMF-SNVBAGLBSA-N 1 0 242.392 0.904 20 30 BCEDRO C[C@H](C#N)CN(C)C(=S)NCC[NH+](C)C ZINC000920994932 642567379 /nfs/dbraw/zinc/56/73/79/642567379.db2.gz MEWKPJLDZHHCRH-SECBINFHSA-N 1 0 228.365 0.514 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925334121 642571633 /nfs/dbraw/zinc/57/16/33/642571633.db2.gz JCWWQEZRAZAKMK-DCAQKATOSA-N 1 0 223.320 0.742 20 30 BCEDRO C=CCNC(=S)NCCCC[NH+](C)C ZINC000921270466 642593417 /nfs/dbraw/zinc/59/34/17/642593417.db2.gz GEVHGXATMUEJTI-UHFFFAOYSA-N 1 0 215.366 0.978 20 30 BCEDRO CCCNC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000305049388 642634244 /nfs/dbraw/zinc/63/42/44/642634244.db2.gz ZSEABAQVHXQFFL-JTQLQIEISA-N 1 0 229.324 0.496 20 30 BCEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])N[C@@H](C)CC ZINC000305233046 642646814 /nfs/dbraw/zinc/64/68/14/642646814.db2.gz ZHVRCOLQVHOZIO-VIFPVBQESA-N 1 0 242.367 0.852 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c1 ZINC000960007893 642656905 /nfs/dbraw/zinc/65/69/05/642656905.db2.gz AGDSWIBEQRBHBR-GDNZZTSVSA-N 1 0 229.283 0.308 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1cncc(C)c1 ZINC000305624743 642669770 /nfs/dbraw/zinc/66/97/70/642669770.db2.gz BCPGSEPSVMGAIA-JTQLQIEISA-N 1 0 236.319 0.829 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1cnn(C)c1C ZINC000305672329 642674270 /nfs/dbraw/zinc/67/42/70/642674270.db2.gz ILIBQSPNWYSZAL-UHFFFAOYSA-N 1 0 223.324 0.885 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(F)c[nH]1 ZINC000961221358 642684781 /nfs/dbraw/zinc/68/47/81/642684781.db2.gz YQDPVNKHMDHQGZ-IAZYJMLFSA-N 1 0 249.289 1.000 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C ZINC000961471361 642691296 /nfs/dbraw/zinc/69/12/96/642691296.db2.gz SGTKMTHEMGJCRE-JCIQBVFBSA-N 1 0 220.316 0.875 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCC(=O)NCC1CC1 ZINC000305793522 642694803 /nfs/dbraw/zinc/69/48/03/642694803.db2.gz DSVQJJCAEBYIRA-UHFFFAOYSA-N 1 0 240.351 0.463 20 30 BCEDRO CC[C@H](C)NC(=O)CCNC(=[NH2+])N(C)C1CC1 ZINC000305798001 642697195 /nfs/dbraw/zinc/69/71/95/642697195.db2.gz BNVOLTIGQUCREZ-VIFPVBQESA-N 1 0 240.351 0.700 20 30 BCEDRO CCNC(NCCC1(C)OCCO1)=[NH+]CC ZINC000305799888 642697399 /nfs/dbraw/zinc/69/73/99/642697399.db2.gz CMKZSSBOIOIXKV-UHFFFAOYSA-N 1 0 229.324 0.715 20 30 BCEDRO COC1(CNC(=[NH2+])N(C)C2CC2)CCOCC1 ZINC000305814322 642702022 /nfs/dbraw/zinc/70/20/22/642702022.db2.gz LGOAHBMBOABNFQ-UHFFFAOYSA-N 1 0 241.335 0.591 20 30 BCEDRO C=CCN1c2ccccc2C(=NNC(N)=[NH2+])C1=O ZINC000254303302 642706743 /nfs/dbraw/zinc/70/67/43/642706743.db2.gz SSQFGJGOJXEBRS-UHFFFAOYSA-N 1 0 243.270 0.406 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCc1ccnn1C ZINC000305846330 642708566 /nfs/dbraw/zinc/70/85/66/642708566.db2.gz CJDKQPWUPAGYNR-SECBINFHSA-N 1 0 223.324 0.665 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CC2 ZINC000961887645 642709931 /nfs/dbraw/zinc/70/99/31/642709931.db2.gz MCTHOTYMYYDDLH-XQHKEYJVSA-N 1 0 244.338 0.856 20 30 BCEDRO Cn1nccc1CCNC(=[NH2+])N1CCCCC1 ZINC000305871266 642710593 /nfs/dbraw/zinc/71/05/93/642710593.db2.gz VMNZVTMFUVTOMM-UHFFFAOYSA-N 1 0 235.335 0.763 20 30 BCEDRO C=CC[NH2+]C1CCC(N(C)C(=O)C(N)=O)CC1 ZINC000963849570 642747842 /nfs/dbraw/zinc/74/78/42/642747842.db2.gz LWWWDSYBSFQFFD-UHFFFAOYSA-N 1 0 239.319 0.017 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000967943857 642805231 /nfs/dbraw/zinc/80/52/31/642805231.db2.gz MBCLBGASMYUYPV-VHSXEESVSA-N 1 0 207.277 0.523 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000966007882 642780247 /nfs/dbraw/zinc/78/02/47/642780247.db2.gz DJYNGIIMMGEKTE-GFCCVEGCSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC000967133917 642793969 /nfs/dbraw/zinc/79/39/69/642793969.db2.gz KFSKEDZYWAXZEE-LLVKDONJSA-N 1 0 231.299 0.462 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCCO2)C1 ZINC000967293307 642797124 /nfs/dbraw/zinc/79/71/24/642797124.db2.gz FRZBIUHAMIYYEX-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC000967478549 642800204 /nfs/dbraw/zinc/80/02/04/642800204.db2.gz QPCJMEPHMXJPCU-WDEREUQCSA-N 1 0 224.304 0.399 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC000967417453 642800950 /nfs/dbraw/zinc/80/09/50/642800950.db2.gz DWRYAOQHTHTUKR-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC000967548122 642801114 /nfs/dbraw/zinc/80/11/14/642801114.db2.gz QJFLOPFZDGXGFA-VXGBXAGGSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(F)nc2)C1 ZINC000967712026 642802480 /nfs/dbraw/zinc/80/24/80/642802480.db2.gz BBMJKCMSLWCTDB-LLVKDONJSA-N 1 0 247.273 0.658 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC000967608426 642802559 /nfs/dbraw/zinc/80/25/59/642802559.db2.gz ZHGWFKKCFHLHMY-LLVKDONJSA-N 1 0 247.273 0.658 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CC2CC2)C1 ZINC000967942765 642805099 /nfs/dbraw/zinc/80/50/99/642805099.db2.gz GEAYZWFEEUHTFI-GXSJLCMTSA-N 1 0 221.304 0.747 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncoc2CC)C1 ZINC000968141236 642806076 /nfs/dbraw/zinc/80/60/76/642806076.db2.gz FKKQIENWBQPTBP-SNVBAGLBSA-N 1 0 247.298 0.674 20 30 BCEDRO CC[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000968347073 642808408 /nfs/dbraw/zinc/80/84/08/642808408.db2.gz SXRVSQARXIBARY-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000968336935 642808417 /nfs/dbraw/zinc/80/84/17/642808417.db2.gz WSMXTBDZMLRWPE-SNVBAGLBSA-N 1 0 235.287 0.973 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC000968384179 642809579 /nfs/dbraw/zinc/80/95/79/642809579.db2.gz YNYZMBUVRAWROO-SNVBAGLBSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C)ncn2)C1 ZINC000968436285 642810881 /nfs/dbraw/zinc/81/08/81/642810881.db2.gz XBGGEDCIARKFKG-LLVKDONJSA-N 1 0 244.298 0.222 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](CC)SC)C1 ZINC000968419314 642811211 /nfs/dbraw/zinc/81/12/11/642811211.db2.gz JJFFPCJRYVUHBA-MNOVXSKESA-N 1 0 240.372 0.952 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC000968425582 642811266 /nfs/dbraw/zinc/81/12/66/642811266.db2.gz MKCZRMFPYWJMLZ-VXGBXAGGSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2ccc(C)o2)C1 ZINC000968439047 642811339 /nfs/dbraw/zinc/81/13/39/642811339.db2.gz VNXVCRHKQIFUKI-GFCCVEGCSA-N 1 0 246.310 0.954 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000968425581 642811708 /nfs/dbraw/zinc/81/17/08/642811708.db2.gz MKCZRMFPYWJMLZ-NEPJUHHUSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC000969041609 642821257 /nfs/dbraw/zinc/82/12/57/642821257.db2.gz SITPQYRMCTZXBC-ZJUUUORDSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001006821541 642824204 /nfs/dbraw/zinc/82/42/04/642824204.db2.gz OESZYTOQOBYBLI-GFCCVEGCSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001006821542 642824849 /nfs/dbraw/zinc/82/48/49/642824849.db2.gz OESZYTOQOBYBLI-LBPRGKRZSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cnco2)C1 ZINC001008104092 642829363 /nfs/dbraw/zinc/82/93/63/642829363.db2.gz SIKYKHOCZGZZFH-LLVKDONJSA-N 1 0 247.298 0.892 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001008280950 642831770 /nfs/dbraw/zinc/83/17/70/642831770.db2.gz FYGWCSDTFCYNQR-GFCCVEGCSA-N 1 0 249.314 0.984 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001008681738 642833739 /nfs/dbraw/zinc/83/37/39/642833739.db2.gz SGLNUFVIPSGFHM-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001008681741 642834195 /nfs/dbraw/zinc/83/41/95/642834195.db2.gz SGLNUFVIPSGFHM-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C#CCN1CC(CNC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001031774137 642838045 /nfs/dbraw/zinc/83/80/45/642838045.db2.gz PDKDJXUILFXRAE-ZDUSSCGKSA-N 1 0 249.358 0.152 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C2CCOCC2)C1 ZINC001009882755 642844626 /nfs/dbraw/zinc/84/46/26/642844626.db2.gz LPYVANIPBKXLFX-LBPRGKRZSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010040398 642848074 /nfs/dbraw/zinc/84/80/74/642848074.db2.gz YHNNNQWGUWSOPV-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010040400 642848298 /nfs/dbraw/zinc/84/82/98/642848298.db2.gz YHNNNQWGUWSOPV-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010036478 642849356 /nfs/dbraw/zinc/84/93/56/642849356.db2.gz FHGWQEYIRBTFKW-NWDGAFQWSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001010117807 642852497 /nfs/dbraw/zinc/85/24/97/642852497.db2.gz PLVNRKYDNDKFTQ-LBPRGKRZSA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cc(CC)n[nH]2)C1 ZINC001010248518 642853865 /nfs/dbraw/zinc/85/38/65/642853865.db2.gz JWWLENIEJFBTBW-NSHDSACASA-N 1 0 248.330 0.962 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccon2)C1 ZINC001010329312 642856507 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642864954 /nfs/dbraw/zinc/86/49/54/642864954.db2.gz MARATWBKKPFGGU-GFCCVEGCSA-N 1 0 246.314 0.166 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC000939338544 642865593 /nfs/dbraw/zinc/86/55/93/642865593.db2.gz PZIHHLQNZBGLEL-ZJUUUORDSA-N 1 0 249.318 0.431 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC000939338543 642865733 /nfs/dbraw/zinc/86/57/33/642865733.db2.gz PZIHHLQNZBGLEL-VHSXEESVSA-N 1 0 249.318 0.431 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccnn2CC)C1 ZINC001010750263 642872128 /nfs/dbraw/zinc/87/21/28/642872128.db2.gz WYBHCSPSTDMIJB-LLVKDONJSA-N 1 0 248.330 0.893 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001010727769 642873537 /nfs/dbraw/zinc/87/35/37/642873537.db2.gz RAVAIUQAUCKTGB-GFCCVEGCSA-N 1 0 236.315 0.710 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010879686 642874371 /nfs/dbraw/zinc/87/43/71/642874371.db2.gz AZOAQDVTPZYZIG-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001010878483 642875694 /nfs/dbraw/zinc/87/56/94/642875694.db2.gz UKUNOKUCFDTJSP-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC001014371190 642887641 /nfs/dbraw/zinc/88/76/41/642887641.db2.gz SIIUOHXBFUPEEJ-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO Cc1cc(C=NNC(N)=[NH2+])cc(C)c1O ZINC000252447328 642888694 /nfs/dbraw/zinc/88/86/94/642888694.db2.gz IWTGTPWPWBFVDM-UHFFFAOYSA-N 1 0 206.249 0.826 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014486900 642889221 /nfs/dbraw/zinc/88/92/21/642889221.db2.gz UAZSHDNCMHJPMI-SCRDCRAPSA-N 1 0 248.326 0.237 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001014372474 642889898 /nfs/dbraw/zinc/88/98/98/642889898.db2.gz LSCGSUSMPOUKHO-SNVBAGLBSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@H]1C ZINC000939879873 642898316 /nfs/dbraw/zinc/89/83/16/642898316.db2.gz XWRRWEREHFLQLT-MWLCHTKSSA-N 1 0 246.314 0.401 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001015546262 642906812 /nfs/dbraw/zinc/90/68/12/642906812.db2.gz QZLBIKIKBVCMED-SRVKXCTJSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001015598056 642914614 /nfs/dbraw/zinc/91/46/14/642914614.db2.gz FRLGUDHIMKMDKW-GFCCVEGCSA-N 1 0 247.298 0.431 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)C1 ZINC001015748286 642929617 /nfs/dbraw/zinc/92/96/17/642929617.db2.gz MYCMJZXWGCTROR-GFCCVEGCSA-N 1 0 246.314 0.857 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnon2)C1 ZINC001015876708 642934642 /nfs/dbraw/zinc/93/46/42/642934642.db2.gz NQEVELAWUFSUCD-VIFPVBQESA-N 1 0 236.275 0.450 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001015873064 642935739 /nfs/dbraw/zinc/93/57/39/642935739.db2.gz RFCZJJWIMOMPGG-SECBINFHSA-N 1 0 235.291 0.185 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001015906936 642939766 /nfs/dbraw/zinc/93/97/66/642939766.db2.gz FRHNLEWKAVGYEL-AAEUAGOBSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001016133553 642948142 /nfs/dbraw/zinc/94/81/42/642948142.db2.gz OYXNQXRCIUXKLO-JTQLQIEISA-N 1 0 248.330 0.962 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001016313332 642954049 /nfs/dbraw/zinc/95/40/49/642954049.db2.gz HKZVKCMOMOKBFK-ZDUSSCGKSA-N 1 0 245.326 0.771 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001016396539 642954127 /nfs/dbraw/zinc/95/41/27/642954127.db2.gz DNNYVEBIOLOGCE-GFCCVEGCSA-N 1 0 246.314 0.097 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001016258235 642955913 /nfs/dbraw/zinc/95/59/13/642955913.db2.gz DOPBGRFWMUWFRY-LBPRGKRZSA-N 1 0 248.330 0.568 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2csnn2)C1 ZINC001031881460 642969942 /nfs/dbraw/zinc/96/99/42/642969942.db2.gz KVSSKEJLBJQISH-UHFFFAOYSA-N 1 0 238.316 0.386 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(C)C)C1 ZINC001018435515 642990634 /nfs/dbraw/zinc/99/06/34/642990634.db2.gz VRKIQWYROVNZCH-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001018435486 642991120 /nfs/dbraw/zinc/99/11/20/642991120.db2.gz UUWYPMNORFKGDC-JTQLQIEISA-N 1 0 232.287 0.467 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cccc(C)n2)C1 ZINC001018512274 642997188 /nfs/dbraw/zinc/99/71/88/642997188.db2.gz QDRFNZWKJJXVQL-LBPRGKRZSA-N 1 0 243.310 0.827 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC001018577850 642999092 /nfs/dbraw/zinc/99/90/92/642999092.db2.gz CLXDTJNETXUSLM-UWVGGRQHSA-N 1 0 246.738 0.964 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC001018589143 643001128 /nfs/dbraw/zinc/00/11/28/643001128.db2.gz MATIDEAJAHAJGM-LBPRGKRZSA-N 1 0 248.330 0.568 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2[nH]nnc2C)C1 ZINC001031894158 643001940 /nfs/dbraw/zinc/00/19/40/643001940.db2.gz OTSFCICQGVVPIJ-UHFFFAOYSA-N 1 0 249.318 0.351 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001018625802 643003259 /nfs/dbraw/zinc/00/32/59/643003259.db2.gz ULFKVQGWGUQGQI-JTQLQIEISA-N 1 0 234.303 0.708 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001018618994 643004227 /nfs/dbraw/zinc/00/42/27/643004227.db2.gz VBGHBLFTJHBVLD-MNOVXSKESA-N 1 0 221.304 0.913 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001018657500 643005275 /nfs/dbraw/zinc/00/52/75/643005275.db2.gz ZETCJNAHEARIET-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC2(C)C)C1 ZINC001018726077 643008599 /nfs/dbraw/zinc/00/85/99/643008599.db2.gz OQNBMPFVNCYYTC-QWRGUYRKSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001018731390 643008674 /nfs/dbraw/zinc/00/86/74/643008674.db2.gz VYMXDOVDCSGGAP-NSHDSACASA-N 1 0 242.282 0.324 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001018798509 643010529 /nfs/dbraw/zinc/01/05/29/643010529.db2.gz DSUAJZSPBBQIDG-WDEREUQCSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2cncnc2)C1 ZINC001018776066 643011083 /nfs/dbraw/zinc/01/10/83/643011083.db2.gz QCNDJXOJJWFKAS-LBPRGKRZSA-N 1 0 246.314 0.396 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 ZINC001018791218 643011370 /nfs/dbraw/zinc/01/13/70/643011370.db2.gz RGMARIRWRZDGHI-NWDGAFQWSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(CC)n2)C1 ZINC001018810078 643013732 /nfs/dbraw/zinc/01/37/32/643013732.db2.gz QMDBBTUCYSGCQK-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC001018829458 643014403 /nfs/dbraw/zinc/01/44/03/643014403.db2.gz DXPOWLYDTJJRSA-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c(C)cnn2C)C1 ZINC001019259553 643025493 /nfs/dbraw/zinc/02/54/93/643025493.db2.gz PIWSUSVYFTXAAJ-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2csc(C)n2)C1 ZINC001019283565 643027899 /nfs/dbraw/zinc/02/78/99/643027899.db2.gz XSWIHHXLJYTOBY-JTQLQIEISA-N 1 0 249.339 0.889 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC001019289032 643028682 /nfs/dbraw/zinc/02/86/82/643028682.db2.gz QMIGCOZBRSZBBC-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC001019284266 643028767 /nfs/dbraw/zinc/02/87/67/643028767.db2.gz JZQQZXZOTBYHEL-CMPLNLGQSA-N 1 0 242.294 0.492 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2n[nH]cc2F)C1 ZINC001019346208 643031049 /nfs/dbraw/zinc/03/10/49/643031049.db2.gz YTYMXKMGONCVPG-QMMMGPOBSA-N 1 0 238.266 0.539 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccncn2)C1 ZINC001019536391 643035875 /nfs/dbraw/zinc/03/58/75/643035875.db2.gz LNHOFLBMZKYCFR-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c(C)n[nH]c2C)C1 ZINC001019525803 643036352 /nfs/dbraw/zinc/03/63/52/643036352.db2.gz GZAFZJDOFSWRFM-NSHDSACASA-N 1 0 246.314 0.464 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2nocc2C)C1 ZINC001019616146 643038289 /nfs/dbraw/zinc/03/82/89/643038289.db2.gz IJAXYYRMAMNJCD-JTQLQIEISA-N 1 0 235.287 0.973 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001019549323 643039100 /nfs/dbraw/zinc/03/91/00/643039100.db2.gz JTJHEJXPGIBUTJ-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nccs2)C1 ZINC001019552448 643039589 /nfs/dbraw/zinc/03/95/89/643039589.db2.gz PRGYXUMGCVQGTH-VIFPVBQESA-N 1 0 235.312 0.580 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nocc2C)C1 ZINC001019616244 643039980 /nfs/dbraw/zinc/03/99/80/643039980.db2.gz NBLTWAGYTFEOBH-JTQLQIEISA-N 1 0 233.271 0.420 20 30 BCEDRO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC)C2)cn1 ZINC001019675514 643041578 /nfs/dbraw/zinc/04/15/78/643041578.db2.gz RTPUGLACIDVIKE-ZDUSSCGKSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C)n2C)C1 ZINC001019984225 643051112 /nfs/dbraw/zinc/05/11/12/643051112.db2.gz YXGMHGBRVCCUEJ-HAQNSBGRSA-N 1 0 245.326 0.817 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cncc(F)c2)C1 ZINC001020064080 643056028 /nfs/dbraw/zinc/05/60/28/643056028.db2.gz AOXPUEMJCIUDEG-HAQNSBGRSA-N 1 0 247.273 0.704 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2[nH]ccc2C)C1 ZINC001020117634 643057495 /nfs/dbraw/zinc/05/74/95/643057495.db2.gz ZRLXHNCYSQQFOG-XYPYZODXSA-N 1 0 231.299 0.807 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cncn2C)C1 ZINC001020358131 643067091 /nfs/dbraw/zinc/06/70/91/643067091.db2.gz GEIOUDWFLLVYDH-MGCOHNPYSA-N 1 0 234.303 0.457 20 30 BCEDRO COCCCCCNC(=[NH2+])N[C@H](C)COC ZINC000303972297 643082530 /nfs/dbraw/zinc/08/25/30/643082530.db2.gz FOSQSUXWXSHUIR-SNVBAGLBSA-N 1 0 231.340 0.742 20 30 BCEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)C2CC2)C1 ZINC000969182597 643101165 /nfs/dbraw/zinc/10/11/65/643101165.db2.gz DSMYHXVRZOYQDP-JTQLQIEISA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCC[N@@H+]1CC[C@@H](NC(C)=O)[C@@H](C)C1 ZINC000941700407 643119773 /nfs/dbraw/zinc/11/97/73/643119773.db2.gz PMOUONONZAXYCL-CMPLNLGQSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2cocn2)[C@@H](C)C1 ZINC000941884542 643148198 /nfs/dbraw/zinc/14/81/98/643148198.db2.gz HHPWMWIRWHWPRU-QWRGUYRKSA-N 1 0 247.298 0.748 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cn[nH]c2)C1 ZINC000969342151 643148806 /nfs/dbraw/zinc/14/88/06/643148806.db2.gz ABOQQEQTJFYENR-VIFPVBQESA-N 1 0 234.303 0.646 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@H](C)CC1 ZINC000932344396 643153455 /nfs/dbraw/zinc/15/34/55/643153455.db2.gz WYXMJJNRQMLURF-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC001020484451 643156007 /nfs/dbraw/zinc/15/60/07/643156007.db2.gz FWAAEZSQJJONLC-XYPYZODXSA-N 1 0 248.330 0.765 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000969375606 643157359 /nfs/dbraw/zinc/15/73/59/643157359.db2.gz PFWQKAUHWBRRCB-SNVBAGLBSA-N 1 0 235.262 0.591 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001020516324 643169592 /nfs/dbraw/zinc/16/95/92/643169592.db2.gz JAYIOLVJNCLGQT-BJDJZHNGSA-N 1 0 238.306 0.995 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC001020516327 643169623 /nfs/dbraw/zinc/16/96/23/643169623.db2.gz JAYIOLVJNCLGQT-WRWGMCAJSA-N 1 0 238.306 0.995 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cn(C)cn2)C1 ZINC000969496317 643179582 /nfs/dbraw/zinc/17/95/82/643179582.db2.gz DHMBOJOICSVJHZ-JTQLQIEISA-N 1 0 248.330 0.656 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnco2)[C@@H](C)C1 ZINC000942540621 643196177 /nfs/dbraw/zinc/19/61/77/643196177.db2.gz NDHBNWJDCVDYEO-WDEREUQCSA-N 1 0 247.298 0.748 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2ncn(C)n2)C1 ZINC000969594277 643196663 /nfs/dbraw/zinc/19/66/63/643196663.db2.gz JYMDYCQCHUOAKA-SECBINFHSA-N 1 0 249.318 0.051 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC000969605825 643197988 /nfs/dbraw/zinc/19/79/88/643197988.db2.gz ILHXFPJGCMBQAF-AXFHLTTASA-N 1 0 206.289 0.466 20 30 BCEDRO CC#CC[NH+]1CC([C@H](C)NC(=O)c2ncc[nH]2)C1 ZINC000969630724 643199729 /nfs/dbraw/zinc/19/97/29/643199729.db2.gz FVKOQZUGKFCIAY-JTQLQIEISA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)C(C)C)C1 ZINC000969634595 643200179 /nfs/dbraw/zinc/20/01/79/643200179.db2.gz MULSQQQYHNSTFS-MNOVXSKESA-N 1 0 226.295 0.804 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2ncc[nH]2)C1 ZINC000969637379 643203063 /nfs/dbraw/zinc/20/30/63/643203063.db2.gz ICDPQLGGERTHKI-VIFPVBQESA-N 1 0 234.303 0.646 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cnn2C)C1 ZINC000969636765 643203085 /nfs/dbraw/zinc/20/30/85/643203085.db2.gz PIWSUSVYFTXAAJ-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2ncc[nH]2)C1 ZINC000969637378 643204147 /nfs/dbraw/zinc/20/41/47/643204147.db2.gz ICDPQLGGERTHKI-SECBINFHSA-N 1 0 234.303 0.646 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001032039954 643209631 /nfs/dbraw/zinc/20/96/31/643209631.db2.gz KLXFEAVYULBAIS-UHFFFAOYSA-N 1 0 248.330 0.956 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001020598057 643224729 /nfs/dbraw/zinc/22/47/29/643224729.db2.gz CURMHTYMAUPRDP-KKOKHZNYSA-N 1 0 236.315 0.281 20 30 BCEDRO C=C[C@](C)(CC)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969832692 643225813 /nfs/dbraw/zinc/22/58/13/643225813.db2.gz YBJWRIITQLWTBT-DGCLKSJQSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2ncccn2)C1 ZINC001032065646 643226613 /nfs/dbraw/zinc/22/66/13/643226613.db2.gz IWUHUTGRBKFUIS-UHFFFAOYSA-N 1 0 244.298 0.162 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cccnn2)C1 ZINC001032065615 643227007 /nfs/dbraw/zinc/22/70/07/643227007.db2.gz DSDWLXHZCWGTSC-UHFFFAOYSA-N 1 0 246.314 0.714 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cn(CC)nn2)C1 ZINC001032080232 643238387 /nfs/dbraw/zinc/23/83/87/643238387.db2.gz MOGVARSIHUIREH-UHFFFAOYSA-N 1 0 249.318 0.146 20 30 BCEDRO C=C(Cl)CN1CCC(O)(C[NH3+])CC1 ZINC000306827296 643255403 /nfs/dbraw/zinc/25/54/03/643255403.db2.gz DAXUBZFRTBVXMQ-UHFFFAOYSA-N 1 0 204.701 0.525 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC000969991996 643261990 /nfs/dbraw/zinc/26/19/90/643261990.db2.gz RZYFCDYSDKUCSM-UTUOFQBUSA-N 1 0 236.315 0.235 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2nocc2C)C1 ZINC001032108732 643262501 /nfs/dbraw/zinc/26/25/01/643262501.db2.gz ZPMFVLZVHGIGNK-UHFFFAOYSA-N 1 0 247.298 0.668 20 30 BCEDRO C#CC[N@H+](C[C@H](O)C1(O)CCC1)C(C)(C)C ZINC000932461986 643264941 /nfs/dbraw/zinc/26/49/41/643264941.db2.gz XAYFOIYXSDSUAI-NSHDSACASA-N 1 0 225.332 0.996 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)COCCOC)C(C)(C)C ZINC000932461920 643265200 /nfs/dbraw/zinc/26/52/00/643265200.db2.gz LBPUFKLYGUQFQL-LBPRGKRZSA-N 1 0 243.347 0.744 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC000970037624 643270960 /nfs/dbraw/zinc/27/09/60/643270960.db2.gz BRMFSQPUZCKNNS-LPWJVIDDSA-N 1 0 248.326 0.378 20 30 BCEDRO C#C[C@@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000185297464 643286074 /nfs/dbraw/zinc/28/60/74/643286074.db2.gz OHDKPICDNXYUNK-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2nc(C)oc2C)C1 ZINC001020810177 643300367 /nfs/dbraw/zinc/30/03/67/643300367.db2.gz RDCRPTSBLNFAGX-XYPYZODXSA-N 1 0 247.298 0.775 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)[C@H](C)OC)CC1(C)C ZINC000995526625 643325088 /nfs/dbraw/zinc/32/50/88/643325088.db2.gz BQCNPFPTQVCYSL-QWRGUYRKSA-N 1 0 238.331 0.481 20 30 BCEDRO C[C@@H](C#N)C(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC000995569430 643331700 /nfs/dbraw/zinc/33/17/00/643331700.db2.gz AFSMCBSEMDZYPC-UWVGGRQHSA-N 1 0 241.310 0.942 20 30 BCEDRO Cc1ccc(C#N)cc1C(=O)N1CC[NH2+]CC1 ZINC000082652800 643362736 /nfs/dbraw/zinc/36/27/36/643362736.db2.gz MSESBPAFUQIGCU-UHFFFAOYSA-N 1 0 229.283 0.912 20 30 BCEDRO CCOC(=O)C1CCN(/C(NC)=[NH+]\C)CC1 ZINC000073107006 643380237 /nfs/dbraw/zinc/38/02/37/643380237.db2.gz SFLUURWDENVJDE-UHFFFAOYSA-N 1 0 227.308 0.467 20 30 BCEDRO CS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185799462 643388928 /nfs/dbraw/zinc/38/89/28/643388928.db2.gz INKHXPKHYCPUMO-NXEZZACHSA-N 1 0 230.333 0.703 20 30 BCEDRO CN(C(=[NH2+])NCCN1CCCOCC1)C1CC1 ZINC000187856237 643393366 /nfs/dbraw/zinc/39/33/66/643393366.db2.gz ZSWOVIVVDYWUSA-UHFFFAOYSA-N 1 0 240.351 0.118 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001021077944 643401107 /nfs/dbraw/zinc/40/11/07/643401107.db2.gz VHNPDPHONFQVCZ-HAQNSBGRSA-N 1 0 231.299 0.427 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000970221123 643401772 /nfs/dbraw/zinc/40/17/72/643401772.db2.gz RINWADDLCVHXGY-SNVBAGLBSA-N 1 0 232.287 0.155 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000970308962 643412915 /nfs/dbraw/zinc/41/29/15/643412915.db2.gz BIQVWFYNRDFFJU-LLVKDONJSA-N 1 0 232.283 0.646 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCn2cccc2)C1 ZINC000970337780 643414944 /nfs/dbraw/zinc/41/49/44/643414944.db2.gz VSYRPWHQWWOEAZ-CYBMUJFWSA-N 1 0 245.326 0.702 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000185965779 643418372 /nfs/dbraw/zinc/41/83/72/643418372.db2.gz VWWALSUWJOTOCD-LLVKDONJSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000185983876 643420714 /nfs/dbraw/zinc/42/07/14/643420714.db2.gz CEBZKFPPCADEOY-HBNTYKKESA-N 1 0 235.331 0.933 20 30 BCEDRO N#CCCNC(=O)C[N@H+]1CCCC[C@@H]1CCO ZINC000049801509 643443585 /nfs/dbraw/zinc/44/35/85/643443585.db2.gz IDASWGABGLOXEU-LLVKDONJSA-N 1 0 239.319 0.253 20 30 BCEDRO C=C(C)CNC(NCCN1CCOCC1)=[NH+]C ZINC000073371918 643450215 /nfs/dbraw/zinc/45/02/15/643450215.db2.gz WWJRTXBXFXCPMU-UHFFFAOYSA-N 1 0 240.351 0.060 20 30 BCEDRO C#CCCS(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000289136268 643460005 /nfs/dbraw/zinc/46/00/05/643460005.db2.gz JRJCKJASQIOEBW-UHFFFAOYSA-N 1 0 242.344 0.191 20 30 BCEDRO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OC ZINC001032302614 643472925 /nfs/dbraw/zinc/47/29/25/643472925.db2.gz DCWKVKXIYHIQSB-SRVKXCTJSA-N 1 0 238.331 0.883 20 30 BCEDRO C=C(C)CN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OC ZINC001032301302 643473106 /nfs/dbraw/zinc/47/31/06/643473106.db2.gz IRETURPUHHZNCY-WOPDTQHZSA-N 1 0 238.331 0.883 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCOC1 ZINC001032307404 643484373 /nfs/dbraw/zinc/48/43/73/643484373.db2.gz MHTXZXVRYCWXPK-AVGNSLFASA-N 1 0 248.326 0.331 20 30 BCEDRO COCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032312432 643491252 /nfs/dbraw/zinc/49/12/52/643491252.db2.gz KWTQFNWXSJDVDH-VWYCJHECSA-N 1 0 237.303 0.078 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000996757116 643505169 /nfs/dbraw/zinc/50/51/69/643505169.db2.gz SBGGUHZKTSQGGO-UHFFFAOYSA-N 1 0 235.291 0.185 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCc1cccs1 ZINC000082239376 643508246 /nfs/dbraw/zinc/50/82/46/643508246.db2.gz FCQIOOJZAWWJGV-UHFFFAOYSA-N 1 0 222.313 0.630 20 30 BCEDRO C#CC[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000082551645 643512201 /nfs/dbraw/zinc/51/22/01/643512201.db2.gz WPJKKRSZAZNDTE-UHFFFAOYSA-N 1 0 206.289 0.514 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cnco2)CC1 ZINC000996853037 643522290 /nfs/dbraw/zinc/52/22/90/643522290.db2.gz SERNTBSBUXWYQK-UHFFFAOYSA-N 1 0 233.271 0.502 20 30 BCEDRO C[NH+]=C(NCC1(OC)CCOCC1)NC1CC1 ZINC000160409704 643574524 /nfs/dbraw/zinc/57/45/24/643574524.db2.gz JTGKALCUABZWLK-UHFFFAOYSA-N 1 0 241.335 0.509 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ncccn2)CC1 ZINC000997106625 643580231 /nfs/dbraw/zinc/58/02/31/643580231.db2.gz HVBRTPSTMKKKTP-UHFFFAOYSA-N 1 0 244.298 0.304 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2cnon2)CC1 ZINC000997101715 643580815 /nfs/dbraw/zinc/58/08/15/643580815.db2.gz IKMNVVFEPWOQRD-UHFFFAOYSA-N 1 0 236.275 0.450 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ccn(C)n2)CC1 ZINC000997301166 643604523 /nfs/dbraw/zinc/60/45/23/643604523.db2.gz CGYUHEIMNFTTGI-UHFFFAOYSA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)COC)C1 ZINC000970918187 643617070 /nfs/dbraw/zinc/61/70/70/643617070.db2.gz YRMLNLWIWSZJKX-SNVBAGLBSA-N 1 0 212.293 0.352 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000307751006 643624938 /nfs/dbraw/zinc/62/49/38/643624938.db2.gz MCUDSZODNUEXAT-MRVPVSSYSA-N 1 0 202.685 0.807 20 30 BCEDRO [NH2+]=C(NCC1(CO)COC1)NC1CCCCC1 ZINC000160567814 643687206 /nfs/dbraw/zinc/68/72/06/643687206.db2.gz GLFCJPUFTIINSI-UHFFFAOYSA-N 1 0 241.335 0.232 20 30 BCEDRO C[C@@H]([NH2+]C[C@H](O)CO)c1cccc(C#N)c1 ZINC000085246748 643698093 /nfs/dbraw/zinc/69/80/93/643698093.db2.gz RGSFAYCVVHDQAZ-SKDRFNHKSA-N 1 0 220.272 0.562 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000998385657 643702741 /nfs/dbraw/zinc/70/27/41/643702741.db2.gz SHJCMYACICXAKU-GFCCVEGCSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cnccn2)C1 ZINC000998386161 643704191 /nfs/dbraw/zinc/70/41/91/643704191.db2.gz XIDCEFYMNYBILE-UHFFFAOYSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cc(C)on2)C1 ZINC000998462508 643706830 /nfs/dbraw/zinc/70/68/30/643706830.db2.gz RQQXYCMEZFQACX-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)C(C)C)C1 ZINC000998471890 643708632 /nfs/dbraw/zinc/70/86/32/643708632.db2.gz OQISJMRAOFFIGH-UHFFFAOYSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000998485967 643708687 /nfs/dbraw/zinc/70/86/87/643708687.db2.gz JGWSNSSIGSQZCJ-NEPJUHHUSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000998588922 643714197 /nfs/dbraw/zinc/71/41/97/643714197.db2.gz RYUCYTUWAROMCJ-JTQLQIEISA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000998648044 643716846 /nfs/dbraw/zinc/71/68/46/643716846.db2.gz NGTOOYWNIMDQGU-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ncoc2C)C1 ZINC000998689068 643718154 /nfs/dbraw/zinc/71/81/54/643718154.db2.gz BEVGQTVYSXSLGA-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998725258 643719777 /nfs/dbraw/zinc/71/97/77/643719777.db2.gz VTFDYXBLEPSQER-QWHCGFSZSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000998725257 643720260 /nfs/dbraw/zinc/72/02/60/643720260.db2.gz VTFDYXBLEPSQER-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cocn2)C1 ZINC000998728485 643720397 /nfs/dbraw/zinc/72/03/97/643720397.db2.gz BZRWISGSSQSGOV-JTQLQIEISA-N 1 0 233.271 0.502 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH2+]CCF)C1 ZINC000998757760 643721501 /nfs/dbraw/zinc/72/15/01/643721501.db2.gz ZAUMXMIRAFEKRN-UWVGGRQHSA-N 1 0 227.283 0.696 20 30 BCEDRO CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC000998752872 643721520 /nfs/dbraw/zinc/72/15/20/643721520.db2.gz KSQZVBRIWDWPBU-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC000998747376 643721530 /nfs/dbraw/zinc/72/15/30/643721530.db2.gz RUUIZMKFKHVKIP-MNOVXSKESA-N 1 0 221.304 0.913 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cc[nH]c2)C1 ZINC000998810077 643722692 /nfs/dbraw/zinc/72/26/92/643722692.db2.gz KMJXAEWUOVGVRX-UHFFFAOYSA-N 1 0 231.299 0.841 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ocnc2C)C1 ZINC000998836997 643722989 /nfs/dbraw/zinc/72/29/89/643722989.db2.gz FICPDBKECXROSN-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000999257708 643733149 /nfs/dbraw/zinc/73/31/49/643733149.db2.gz BNKOKMXDYBKCTE-NGEZQELSSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2conc2C)C1 ZINC000999335552 643735597 /nfs/dbraw/zinc/73/55/97/643735597.db2.gz WOHGICJZFFRNKV-UHFFFAOYSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000999583018 643738223 /nfs/dbraw/zinc/73/82/23/643738223.db2.gz YGZFCSMIYXJMAR-VIFPVBQESA-N 1 0 235.291 0.185 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000999728201 643739039 /nfs/dbraw/zinc/73/90/39/643739039.db2.gz NYMHFDJJVOQNPG-LLVKDONJSA-N 1 0 249.289 0.981 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001000317084 643776078 /nfs/dbraw/zinc/77/60/78/643776078.db2.gz IIGKJDJYBJBIKH-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001000417197 643781488 /nfs/dbraw/zinc/78/14/88/643781488.db2.gz VOWLRZGQDPOFLG-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[NH+]1CCC(CNC(=O)c2cnco2)CC1 ZINC001001692820 643807986 /nfs/dbraw/zinc/80/79/86/643807986.db2.gz NLBJESVHWUNHIU-UHFFFAOYSA-N 1 0 247.298 0.750 20 30 BCEDRO N#Cc1cc(C[NH2+]C[C@]2(O)CCOC2)cs1 ZINC000921932931 643829767 /nfs/dbraw/zinc/82/97/67/643829767.db2.gz UIWWNBAYWQTERB-LLVKDONJSA-N 1 0 238.312 0.861 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000921980728 643837632 /nfs/dbraw/zinc/83/76/32/643837632.db2.gz NOESPTPYVWRZNT-GMTAPVOTSA-N 1 0 236.319 0.682 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921996163 643840384 /nfs/dbraw/zinc/84/03/84/643840384.db2.gz YIDSYGHGCBEYNT-SNVBAGLBSA-N 1 0 208.261 0.814 20 30 BCEDRO CC#CCCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922041344 643852522 /nfs/dbraw/zinc/85/25/22/643852522.db2.gz WODAOACNPAXSHT-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)Cc2cnoc2)CC1 ZINC001003481928 643896750 /nfs/dbraw/zinc/89/67/50/643896750.db2.gz MFDRNPOMMISVME-UHFFFAOYSA-N 1 0 249.314 0.984 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922300431 643961388 /nfs/dbraw/zinc/96/13/88/643961388.db2.gz YFODNZCCNHKXES-LLVKDONJSA-N 1 0 220.272 0.915 20 30 BCEDRO C[NH+](C)C1(CNC(=O)NCC2(C#N)CC2)CC1 ZINC000922315772 643966552 /nfs/dbraw/zinc/96/65/52/643966552.db2.gz RXXAIPJBRYJAKR-UHFFFAOYSA-N 1 0 236.319 0.684 20 30 BCEDRO C=CC[N@H+](CC1CN(S(C)(=O)=O)C1)C(C)C ZINC000929292761 643970514 /nfs/dbraw/zinc/97/05/14/643970514.db2.gz PTBPCWJVGGJRSQ-UHFFFAOYSA-N 1 0 246.376 0.774 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cc[nH]c(=O)c2)C1 ZINC000922340380 643976973 /nfs/dbraw/zinc/97/69/73/643976973.db2.gz DLCPQUFOQXQCQQ-ZDUSSCGKSA-N 1 0 245.326 0.974 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000922738064 644079307 /nfs/dbraw/zinc/07/93/07/644079307.db2.gz PYLQBWQFSRTANV-LLVKDONJSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C(=C)C[NH+](C)C ZINC000922741770 644081004 /nfs/dbraw/zinc/08/10/04/644081004.db2.gz BZCQFQLZAXQMEV-LLVKDONJSA-N 1 0 226.320 0.548 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000922744134 644085867 /nfs/dbraw/zinc/08/58/67/644085867.db2.gz UKFQSPDEVFOZAO-NSHDSACASA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000922779037 644094557 /nfs/dbraw/zinc/09/45/57/644094557.db2.gz NWMGBBABTLKULV-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC(C)(C)O1 ZINC000186888932 644153958 /nfs/dbraw/zinc/15/39/58/644153958.db2.gz LVQUCLYNEDUVDR-NXEZZACHSA-N 1 0 243.351 0.883 20 30 BCEDRO CC#CCN(C)C(=O)NCC1([NH+](C)C)CC1 ZINC000922988208 644216087 /nfs/dbraw/zinc/21/60/87/644216087.db2.gz NPCXORLLUFOSEE-UHFFFAOYSA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCC1([NH2+]Cc2cnn(C)n2)CCC1 ZINC000922997018 644221953 /nfs/dbraw/zinc/22/19/53/644221953.db2.gz CCYFFHTUZINUNA-UHFFFAOYSA-N 1 0 204.277 0.851 20 30 BCEDRO COCCNC(=[NH2+])NCC1(SC)CC1 ZINC000193261465 644227826 /nfs/dbraw/zinc/22/78/26/644227826.db2.gz TZGYPEFBPHGEQB-UHFFFAOYSA-N 1 0 217.338 0.433 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC1(SC)CC1 ZINC000193300235 644232608 /nfs/dbraw/zinc/23/26/08/644232608.db2.gz JJMUSWFQPCHFSF-QMMMGPOBSA-N 1 0 231.365 0.821 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NOCCC)CC1 ZINC000923040321 644244452 /nfs/dbraw/zinc/24/44/52/644244452.db2.gz VUIFGPVNLXICEC-UHFFFAOYSA-N 1 0 239.319 0.725 20 30 BCEDRO CC[C@@H](CO)NC(=[NH2+])N1CCSCC1 ZINC000187141002 644335301 /nfs/dbraw/zinc/33/53/01/644335301.db2.gz PNHSNAZKIASAIG-QMMMGPOBSA-N 1 0 217.338 0.121 20 30 BCEDRO C=CCC[C@H](O)CN1CC[NH2+][C@H](C)[C@@H]1C ZINC000923345885 644364194 /nfs/dbraw/zinc/36/41/94/644364194.db2.gz ONXMOCBVJNYOOB-WOPDTQHZSA-N 1 0 212.337 0.996 20 30 BCEDRO C[C@@]1(C#N)CCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394823 644403169 /nfs/dbraw/zinc/40/31/69/644403169.db2.gz FZMRIYRQBFMRRA-RYUDHWBXSA-N 1 0 235.331 0.600 20 30 BCEDRO C=CCC[C@H](O)CN(CC)[C@@H]1CC[NH2+]C1 ZINC000923426375 644420439 /nfs/dbraw/zinc/42/04/39/644420439.db2.gz TTXARFVIWOTKBO-NEPJUHHUSA-N 1 0 212.337 0.997 20 30 BCEDRO N#C[C@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432432 644426383 /nfs/dbraw/zinc/42/63/83/644426383.db2.gz MINDIHQWVUNNFX-VXGBXAGGSA-N 1 0 235.331 0.600 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)[C@H](C#N)CC)C1 ZINC000923553173 644493804 /nfs/dbraw/zinc/49/38/04/644493804.db2.gz IIGKLDPEHYOCHD-NWDGAFQWSA-N 1 0 233.315 0.750 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)C2CSC2)C1 ZINC000923552930 644496387 /nfs/dbraw/zinc/49/63/87/644496387.db2.gz FWVHKBAPALNNRU-NSHDSACASA-N 1 0 238.356 0.563 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)/C=C\COC)C1 ZINC000923561009 644501856 /nfs/dbraw/zinc/50/18/56/644501856.db2.gz PEFZENVCIPJMDU-HWPRWLFBSA-N 1 0 236.315 0.403 20 30 BCEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CC1 ZINC000749129832 644589591 /nfs/dbraw/zinc/58/95/91/644589591.db2.gz TVUZWWCLEHPEFV-TWLKNAOBSA-N 1 0 249.314 0.901 20 30 BCEDRO C[C@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CC1 ZINC000749129835 644589957 /nfs/dbraw/zinc/58/99/57/644589957.db2.gz TVUZWWCLEHPEFV-XRNDOFNESA-N 1 0 249.314 0.901 20 30 BCEDRO COCC(=NNC1=[NH+][C@@H](C)CN1)C1CC1 ZINC000779798334 644714925 /nfs/dbraw/zinc/71/49/25/644714925.db2.gz NZNJOSMOQVNVOI-ZETCQYMHSA-N 1 0 210.281 0.336 20 30 BCEDRO COCC(=NNC1=[NH+][C@H](C)CN1)C1CC1 ZINC000779798330 644715004 /nfs/dbraw/zinc/71/50/04/644715004.db2.gz NZNJOSMOQVNVOI-SSDOTTSWSA-N 1 0 210.281 0.336 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000249341763 644717676 /nfs/dbraw/zinc/71/76/76/644717676.db2.gz SQZQXYORQYVZSG-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]C[C@@H](C)N2)c(O)c1 ZINC000779804330 644717713 /nfs/dbraw/zinc/71/77/13/644717713.db2.gz CZYJUBNNOZAROY-MRVPVSSYSA-N 1 0 248.286 0.672 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnc3cnccn23)N1 ZINC000779805635 644717902 /nfs/dbraw/zinc/71/79/02/644717902.db2.gz QQOSFHYTNIGWNN-QMMMGPOBSA-N 1 0 243.274 0.001 20 30 BCEDRO C=CCN1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000957355924 644721476 /nfs/dbraw/zinc/72/14/76/644721476.db2.gz CQPIDXSSBDHHEN-GFCCVEGCSA-N 1 0 239.363 0.657 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CO)c1ccccc1C ZINC000782081225 644739452 /nfs/dbraw/zinc/73/94/52/644739452.db2.gz JBAXKVMGNAZDLX-CYBMUJFWSA-N 1 0 246.310 0.367 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)F ZINC000958001438 644769116 /nfs/dbraw/zinc/76/91/16/644769116.db2.gz FNERVJGWYPQGGT-BRPSZJMVSA-N 1 0 228.242 0.321 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)F ZINC000958003258 644769957 /nfs/dbraw/zinc/76/99/57/644769957.db2.gz SBVUXSWYLLSCIP-BRPSZJMVSA-N 1 0 230.258 0.874 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1 ZINC000958033275 644771842 /nfs/dbraw/zinc/77/18/42/644771842.db2.gz JZFSEGAVNIPUAV-ITGUQSILSA-N 1 0 241.294 0.375 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC1 ZINC000958044444 644772359 /nfs/dbraw/zinc/77/23/59/644772359.db2.gz VEMPISJRDZJWTP-IMRBUKKESA-N 1 0 232.327 0.856 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccco1 ZINC000958097905 644776744 /nfs/dbraw/zinc/77/67/44/644776744.db2.gz HDCMFFJHQJSUHW-PJXYFTJBSA-N 1 0 244.294 0.963 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cn1cccn1 ZINC000958234051 644784310 /nfs/dbraw/zinc/78/43/10/644784310.db2.gz MWKSNQKBUBNZAL-PJXYFTJBSA-N 1 0 246.314 0.116 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC000958273738 644784966 /nfs/dbraw/zinc/78/49/66/644784966.db2.gz PEWMYIDBRFZCMY-URLYPYJESA-N 1 0 208.305 0.875 20 30 BCEDRO Cn1nccc1[C@H]1CCCC(N=NC(N)=[NH2+])C1 ZINC000790289692 644789173 /nfs/dbraw/zinc/78/91/73/644789173.db2.gz DOOUHILASGAGJJ-QMMMGPOBSA-N 1 0 234.307 0.917 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncs1 ZINC000958330945 644789225 /nfs/dbraw/zinc/78/92/25/644789225.db2.gz JBRYTZRMEKVTFV-JZYVYDRUSA-N 1 0 249.339 0.989 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC=CC1 ZINC000958450066 644796706 /nfs/dbraw/zinc/79/67/06/644796706.db2.gz OJNRHTPBVSGLKW-ITGUQSILSA-N 1 0 230.311 0.632 20 30 BCEDRO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C#N)c[nH]1 ZINC000958504298 644800416 /nfs/dbraw/zinc/80/04/16/644800416.db2.gz BQGZSYYPMJWOTF-IAZYJMLFSA-N 1 0 244.298 0.566 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ocnc1C ZINC000958496984 644801154 /nfs/dbraw/zinc/80/11/54/644801154.db2.gz ZWGFKYNODTZADY-URLYPYJESA-N 1 0 247.298 0.829 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C=C1CCC1 ZINC000958548337 644808843 /nfs/dbraw/zinc/80/88/43/644808843.db2.gz OUMSSFQBKYBTKU-IMRBUKKESA-N 1 0 230.311 0.776 20 30 BCEDRO CNC(=[NH2+])NCc1ccccc1Cn1cccn1 ZINC000303254869 644811468 /nfs/dbraw/zinc/81/14/68/644811468.db2.gz FISQOIOTYFQSTJ-UHFFFAOYSA-N 1 0 243.314 0.966 20 30 BCEDRO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc(C#N)[nH]1 ZINC000958589753 644811752 /nfs/dbraw/zinc/81/17/52/644811752.db2.gz FXCSPMMZZZANRK-IAZYJMLFSA-N 1 0 244.298 0.566 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(-n2cccn2)cc1 ZINC000303252816 644811863 /nfs/dbraw/zinc/81/18/63/644811863.db2.gz BYQGABWGPUCILH-UHFFFAOYSA-N 1 0 229.287 0.906 20 30 BCEDRO CNC(NCCCOC[C@H]1CCCO1)=[NH+]C ZINC000303254254 644812252 /nfs/dbraw/zinc/81/22/52/644812252.db2.gz DOAFDICKCLKEJT-SNVBAGLBSA-N 1 0 229.324 0.367 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303263290 644812959 /nfs/dbraw/zinc/81/29/59/644812959.db2.gz QVQBMMDJIQXWNZ-ZETCQYMHSA-N 1 0 214.313 0.201 20 30 BCEDRO CCOCCCNC(=[NH2+])N1CCSCC1 ZINC000303693471 644838286 /nfs/dbraw/zinc/83/82/86/644838286.db2.gz CCPHOTPZYNGKFV-UHFFFAOYSA-N 1 0 231.365 0.777 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000303696813 644838581 /nfs/dbraw/zinc/83/85/81/644838581.db2.gz FHUHUKPALRQZFN-MNOVXSKESA-N 1 0 242.367 0.410 20 30 BCEDRO CCCCCCNC(=[NH2+])NCCCO ZINC000303696432 644839190 /nfs/dbraw/zinc/83/91/90/644839190.db2.gz DZSYSBUCQYIHHY-UHFFFAOYSA-N 1 0 201.314 0.853 20 30 BCEDRO CCOC(=O)CCCNC(=[NH2+])N[C@H](C)COC ZINC000303723369 644842307 /nfs/dbraw/zinc/84/23/07/644842307.db2.gz YYQCEVVERPFCGZ-SECBINFHSA-N 1 0 245.323 0.269 20 30 BCEDRO CCOC(=O)CCCNC(=[NH2+])N[C@@H](C)COC ZINC000303723370 644842436 /nfs/dbraw/zinc/84/24/36/644842436.db2.gz YYQCEVVERPFCGZ-VIFPVBQESA-N 1 0 245.323 0.269 20 30 BCEDRO CC(C)NC(=[NH2+])NCCC(=O)OC(C)C ZINC000303773537 644844603 /nfs/dbraw/zinc/84/46/03/644844603.db2.gz FIWCFNPPARSUMC-UHFFFAOYSA-N 1 0 215.297 0.641 20 30 BCEDRO CCCCNC(=[NH2+])NCC(=O)NCCC ZINC000303776091 644845165 /nfs/dbraw/zinc/84/51/65/644845165.db2.gz HLBYZJPXKVQFCE-UHFFFAOYSA-N 1 0 214.313 0.217 20 30 BCEDRO CC(C)NC(=O)CCNC(=[NH2+])NCC1CCC1 ZINC000303783133 644846101 /nfs/dbraw/zinc/84/61/01/644846101.db2.gz NXWSDKGTOBQWBM-UHFFFAOYSA-N 1 0 240.351 0.606 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCc1ccco1 ZINC000303791551 644847825 /nfs/dbraw/zinc/84/78/25/644847825.db2.gz XPXKUDDNZNQXFP-VIFPVBQESA-N 1 0 225.292 0.761 20 30 BCEDRO Cc1noc(CNC(=[NH2+])N2CCCCC2)n1 ZINC000303877564 644852132 /nfs/dbraw/zinc/85/21/32/644852132.db2.gz IRJKFQNSJXFFGB-UHFFFAOYSA-N 1 0 223.280 0.679 20 30 BCEDRO C[C@H]1C[C@H]1NC(=[NH2+])NCCc1ccccn1 ZINC000303896291 644855865 /nfs/dbraw/zinc/85/58/65/644855865.db2.gz UJJLIJDZYJOGAF-GXSJLCMTSA-N 1 0 218.304 0.937 20 30 BCEDRO Cn1cc(CNC(=[NH2+])N2CCCCC2)cn1 ZINC000303906386 644855976 /nfs/dbraw/zinc/85/59/76/644855976.db2.gz ZYCCTGRJJFFHPO-UHFFFAOYSA-N 1 0 221.308 0.721 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCOCCC(C)C ZINC000303900826 644856304 /nfs/dbraw/zinc/85/63/04/644856304.db2.gz WZYJLUIUZHYSDL-NSHDSACASA-N 1 0 245.367 0.988 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCOCCC(C)C ZINC000303900825 644856717 /nfs/dbraw/zinc/85/67/17/644856717.db2.gz WZYJLUIUZHYSDL-LLVKDONJSA-N 1 0 245.367 0.988 20 30 BCEDRO [NH2+]=C(NCC1(O)CCOCC1)N1CCCCC1 ZINC000303986388 644863105 /nfs/dbraw/zinc/86/31/05/644863105.db2.gz UJOYTTXVQTVOSM-UHFFFAOYSA-N 1 0 241.335 0.329 20 30 BCEDRO CC(C)NC(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000303981958 644863273 /nfs/dbraw/zinc/86/32/73/644863273.db2.gz PRGXSQSGSLXJHG-UHFFFAOYSA-N 1 0 228.340 0.461 20 30 BCEDRO CCN(CC)C(=[NH2+])NC[C@@H](C)C(=O)OC ZINC000303985505 644863718 /nfs/dbraw/zinc/86/37/18/644863718.db2.gz SWWJNQNNZQDIPP-MRVPVSSYSA-N 1 0 215.297 0.452 20 30 BCEDRO COC(=O)[C@H](C)CNC(=[NH2+])NCC1CCC1 ZINC000303981571 644863823 /nfs/dbraw/zinc/86/38/23/644863823.db2.gz PGYJTVFSZARUGB-MRVPVSSYSA-N 1 0 227.308 0.500 20 30 BCEDRO CN1CCc2cc(C=NNC(N)=[NH2+])ccc21 ZINC000252664818 644873732 /nfs/dbraw/zinc/87/37/32/644873732.db2.gz PONJSFCUHYHBDU-UHFFFAOYSA-N 1 0 217.276 0.496 20 30 BCEDRO CC[N@H+](CCO[C@H](C)C#N)CC(=O)N(C)C ZINC000304206135 644876299 /nfs/dbraw/zinc/87/62/99/644876299.db2.gz CWEGVPVPYZDGHH-SNVBAGLBSA-N 1 0 227.308 0.325 20 30 BCEDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000304218959 644877010 /nfs/dbraw/zinc/87/70/10/644877010.db2.gz GYBBWDVPDVKISD-UWVGGRQHSA-N 1 0 225.292 0.125 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+][C@@H](C)Cn1cccn1 ZINC000304206202 644877060 /nfs/dbraw/zinc/87/70/60/644877060.db2.gz CXIHWNNLKDVUDC-QWRGUYRKSA-N 1 0 222.292 0.790 20 30 BCEDRO C[C@@H](C#N)OCCN(C)CC[NH+]1CCCC1 ZINC000304236059 644878966 /nfs/dbraw/zinc/87/89/66/644878966.db2.gz MGYUTQIVHFFNKN-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO CCNC(NCCN(C)CCCOC)=[NH+]CC ZINC000304254946 644882940 /nfs/dbraw/zinc/88/29/40/644882940.db2.gz AGJYFQFFAOSYED-UHFFFAOYSA-N 1 0 244.383 0.530 20 30 BCEDRO COC(=O)[C@H]1CCCCN1CCO[C@@H](C)C#N ZINC000304287533 644888514 /nfs/dbraw/zinc/88/85/14/644888514.db2.gz YMLZVPCZMDQNID-WDEREUQCSA-N 1 0 240.303 0.943 20 30 BCEDRO COC(=O)[C@@H](C)C[N@H+](C)C[C@H](O)CC#N ZINC000809572933 644891198 /nfs/dbraw/zinc/89/11/98/644891198.db2.gz WOVRKYGZZLMYHE-DTWKUNHWSA-N 1 0 214.265 0.002 20 30 BCEDRO CC[NH+](CC)[C@@H]1CCN(C[C@H](O)CC#N)C1 ZINC000809574776 644893640 /nfs/dbraw/zinc/89/36/40/644893640.db2.gz PUNNVTXFQRWICP-VXGBXAGGSA-N 1 0 225.336 0.677 20 30 BCEDRO C[N@@H+]1CCN(C[C@H](O)CC#N)C(C)(C)C1 ZINC000809575704 644894022 /nfs/dbraw/zinc/89/40/22/644894022.db2.gz BIOICSBKJIMOMR-SNVBAGLBSA-N 1 0 211.309 0.287 20 30 BCEDRO CCCCC[N@H+](CCO)C[C@H](O)CC#N ZINC000809575349 644894067 /nfs/dbraw/zinc/89/40/67/644894067.db2.gz ZMKVCOZTWOMNET-LLVKDONJSA-N 1 0 214.309 0.745 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ccon1 ZINC000304495360 644911627 /nfs/dbraw/zinc/91/16/27/644911627.db2.gz NKLSNQWITWUXPR-ZETCQYMHSA-N 1 0 212.253 0.114 20 30 BCEDRO CNC(NCCc1cn2cccc(C)c2n1)=[NH+]C ZINC000304504577 644912268 /nfs/dbraw/zinc/91/22/68/644912268.db2.gz RSTXESNVMZGGTC-UHFFFAOYSA-N 1 0 245.330 0.980 20 30 BCEDRO Cn1ccc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000304690595 644926034 /nfs/dbraw/zinc/92/60/34/644926034.db2.gz RHNQIJSJCXHPIW-UHFFFAOYSA-N 1 0 222.292 0.172 20 30 BCEDRO CCCNC(=[NH2+])NC[C@@H](C)CN1CCOCC1 ZINC000304742291 644929351 /nfs/dbraw/zinc/92/93/51/644929351.db2.gz CPKRDGUGCARLCH-LLVKDONJSA-N 1 0 242.367 0.269 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@H](C)CN1CCOCC1 ZINC000304765199 644932034 /nfs/dbraw/zinc/93/20/34/644932034.db2.gz YYXUAQJAIJRPIV-NSHDSACASA-N 1 0 242.367 0.267 20 30 BCEDRO CCc1nncn1CCNC(=[NH2+])N(CC)CC ZINC000304812176 644934905 /nfs/dbraw/zinc/93/49/05/644934905.db2.gz XUYJTWRNXBEOFQ-UHFFFAOYSA-N 1 0 238.339 0.497 20 30 BCEDRO C[NH+]=C(NC[C@]1(C)CCCO1)NC1CC1 ZINC000304930450 644940654 /nfs/dbraw/zinc/94/06/54/644940654.db2.gz BAWOFAFOWWJICN-NSHDSACASA-N 1 0 211.309 0.883 20 30 BCEDRO CCCCNC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000304986589 644944126 /nfs/dbraw/zinc/94/41/26/644944126.db2.gz BMXNIKRALAQAEP-NSHDSACASA-N 1 0 243.351 0.886 20 30 BCEDRO C#CCC[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000830292178 645118537 /nfs/dbraw/zinc/11/85/37/645118537.db2.gz FJNJYUWSWQMVCX-NEPJUHHUSA-N 1 0 208.305 0.415 20 30 BCEDRO C#CC1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000830316056 645119085 /nfs/dbraw/zinc/11/90/85/645119085.db2.gz CLUBIQFBLRXUMC-CQSZACIVSA-N 1 0 236.359 0.788 20 30 BCEDRO C#CC1CC[NH+](C[C@H](C)S(C)(=O)=O)CC1 ZINC000830352063 645122072 /nfs/dbraw/zinc/12/20/72/645122072.db2.gz ZMQWOPWYXLENGB-JTQLQIEISA-N 1 0 229.345 0.765 20 30 BCEDRO Cc1ncsc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834521348 645142814 /nfs/dbraw/zinc/14/28/14/645142814.db2.gz GVTZNPVVDFYISS-SFYZADRCSA-N 1 0 236.300 0.293 20 30 BCEDRO CC(C)c1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)[nH]n1 ZINC000834521466 645143002 /nfs/dbraw/zinc/14/30/02/645143002.db2.gz JQKOIEFFUHRWIU-LDYMZIIASA-N 1 0 247.302 0.374 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(F)c(N)c1 ZINC000834484111 645143184 /nfs/dbraw/zinc/14/31/84/645143184.db2.gz DWMBRGHAVSUQOE-KWQFWETISA-N 1 0 248.261 0.249 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(F)c(N)c1 ZINC000834484109 645143750 /nfs/dbraw/zinc/14/37/50/645143750.db2.gz DWMBRGHAVSUQOE-GZMMTYOYSA-N 1 0 248.261 0.249 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(F)c(N)c1 ZINC000834484110 645143826 /nfs/dbraw/zinc/14/38/26/645143826.db2.gz DWMBRGHAVSUQOE-KCJUWKMLSA-N 1 0 248.261 0.249 20 30 BCEDRO CC(C)COCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834521597 645143935 /nfs/dbraw/zinc/14/39/35/645143935.db2.gz NTTIZIJWWFCGLZ-QWRGUYRKSA-N 1 0 239.319 0.277 20 30 BCEDRO C#CCN[NH+]=Cc1ccc(N(C)CCO)cc1 ZINC000835007374 645160622 /nfs/dbraw/zinc/16/06/22/645160622.db2.gz OAYCVCAPILFLHU-UHFFFAOYSA-N 1 0 231.299 0.672 20 30 BCEDRO CC#CC(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000836946619 645182821 /nfs/dbraw/zinc/18/28/21/645182821.db2.gz ANDFICGUGSGOJH-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO O=C(C#CC1CC1)NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000837683968 645203938 /nfs/dbraw/zinc/20/39/38/645203938.db2.gz IJVRHHJWVRGTHM-BETUJISGSA-N 1 0 248.326 0.379 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)NC1CCCCC1 ZINC000841507070 645217433 /nfs/dbraw/zinc/21/74/33/645217433.db2.gz QKRZCRSWMSJPHV-MWLCHTKSSA-N 1 0 236.319 0.730 20 30 BCEDRO C[C@H](NC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C1CC1 ZINC000841507111 645218082 /nfs/dbraw/zinc/21/80/82/645218082.db2.gz SLTRCJLCTNDCQY-HGNGGELXSA-N 1 0 222.292 0.196 20 30 BCEDRO Cc1ccc([C@@H](O)C[NH2+]CC#CCO)cc1 ZINC000843078883 645261897 /nfs/dbraw/zinc/26/18/97/645261897.db2.gz GACBVQNHJMDWFR-ZDUSSCGKSA-N 1 0 219.284 0.614 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000843091576 645263286 /nfs/dbraw/zinc/26/32/86/645263286.db2.gz KSKAMVJMPRPAPB-XQQFMLRXSA-N 1 0 232.283 0.705 20 30 BCEDRO C#CC[NH2+]CC(=O)N(C)CCOc1ccccc1 ZINC000105964639 645368801 /nfs/dbraw/zinc/36/88/01/645368801.db2.gz PPSRXSHBBLEJBY-UHFFFAOYSA-N 1 0 246.310 0.747 20 30 BCEDRO C=CCOCCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926704757 645370148 /nfs/dbraw/zinc/37/01/48/645370148.db2.gz OWUOJEMPSSUZCG-JTQLQIEISA-N 1 0 226.320 0.693 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC000847020153 645418769 /nfs/dbraw/zinc/41/87/69/645418769.db2.gz WJUFFBFPVZADBV-NSHDSACASA-N 1 0 221.304 0.357 20 30 BCEDRO C#C[C@@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000848285551 645437638 /nfs/dbraw/zinc/43/76/38/645437638.db2.gz UYRNUBRMDSPKIY-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[C@H](C)O1 ZINC000849331229 645450656 /nfs/dbraw/zinc/45/06/56/645450656.db2.gz NSEGQBCQBIKPLV-RYUDHWBXSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2C(=O)NCC2(C)C)C1 ZINC000926864371 645463604 /nfs/dbraw/zinc/46/36/04/645463604.db2.gz CLYDIGKPTKAHEA-NWDGAFQWSA-N 1 0 249.358 0.198 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cnnn1C ZINC000926867027 645464131 /nfs/dbraw/zinc/46/41/31/645464131.db2.gz ZTKGIZWUKLJROB-ZJUUUORDSA-N 1 0 224.308 0.793 20 30 BCEDRO C#C[C@@H](CO)NC(=O)CCCC[NH+]1CCCC1 ZINC000854769706 645511123 /nfs/dbraw/zinc/51/11/23/645511123.db2.gz SJHONTBFRBFPFR-LBPRGKRZSA-N 1 0 238.331 0.363 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCO[C@@H]1CCOC1 ZINC000885721935 645612400 /nfs/dbraw/zinc/61/24/00/645612400.db2.gz ADGUIZASGXFKBM-LLVKDONJSA-N 1 0 242.319 0.026 20 30 BCEDRO C#CC[C@H](COC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000863799830 645705207 /nfs/dbraw/zinc/70/52/07/645705207.db2.gz RGSPFJHSCNCYID-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)nn1 ZINC000928434270 645750755 /nfs/dbraw/zinc/75/07/55/645750755.db2.gz WGZITGWBJOCWGV-VHSXEESVSA-N 1 0 249.318 0.287 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)c2cccc(C#N)n2)CC[N@@H+]1C ZINC000928436529 645757538 /nfs/dbraw/zinc/75/75/38/645757538.db2.gz PECQPYMDPINMGP-KOLCDFICSA-N 1 0 244.298 0.776 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)c2cccc(C#N)n2)CC[N@@H+]1C ZINC000928436533 645758925 /nfs/dbraw/zinc/75/89/25/645758925.db2.gz PECQPYMDPINMGP-ONGXEEELSA-N 1 0 244.298 0.776 20 30 BCEDRO C#CCOCCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928446251 645771279 /nfs/dbraw/zinc/77/12/79/645771279.db2.gz VMGULAZIQNIOMK-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000876796596 645786989 /nfs/dbraw/zinc/78/69/89/645786989.db2.gz MLJXNANFIPDRJG-MWLCHTKSSA-N 1 0 206.289 0.596 20 30 BCEDRO C#CCC(C)(C)C(=O)NC[C@H]1CC[N@H+]1C ZINC000928558385 645816322 /nfs/dbraw/zinc/81/63/22/645816322.db2.gz KTPUWYBCLJWDPX-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)Cc1ccc(C#N)o1 ZINC000878627398 645821765 /nfs/dbraw/zinc/82/17/65/645821765.db2.gz PNPIUZDBNZIPLH-VIFPVBQESA-N 1 0 224.260 0.326 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(C)=O)C[C@H]1C ZINC000946945486 645829762 /nfs/dbraw/zinc/82/97/62/645829762.db2.gz BSVZDRQCEBKQMK-ZYHUDNBSSA-N 1 0 208.305 0.999 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](NC(C)=O)C[C@@H]1C ZINC000946945484 645829775 /nfs/dbraw/zinc/82/97/75/645829775.db2.gz BSVZDRQCEBKQMK-JQWIXIFHSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCC1(O)CC[NH+](CC(OC)OC)CC1 ZINC000880480656 645833288 /nfs/dbraw/zinc/83/32/88/645833288.db2.gz AMXFWRRDSRHNKM-UHFFFAOYSA-N 1 0 227.304 0.456 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)/C=C\C)CC1 ZINC000928648932 645852081 /nfs/dbraw/zinc/85/20/81/645852081.db2.gz VKANVKMAQSSQJI-HYXAFXHYSA-N 1 0 206.289 0.776 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C#CC(C)C)CC1 ZINC000928651639 645853539 /nfs/dbraw/zinc/85/35/39/645853539.db2.gz YGNABDLDLZHDDP-UHFFFAOYSA-N 1 0 232.327 0.860 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)CC2(C#N)CC2)CC1 ZINC000928650657 645853567 /nfs/dbraw/zinc/85/35/67/645853567.db2.gz FSZPJKWMMKEDLR-UHFFFAOYSA-N 1 0 245.326 0.894 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](O)/C=C\C)CC1 ZINC000928649253 645853791 /nfs/dbraw/zinc/85/37/91/645853791.db2.gz WUYVVPLIPSKIJD-FHMRSRPSSA-N 1 0 236.315 0.137 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]([NH3+])CC2CC2)C1 ZINC000884369808 645874601 /nfs/dbraw/zinc/87/46/01/645874601.db2.gz QHJGAISPQODTEU-HBNTYKKESA-N 1 0 221.304 0.922 20 30 BCEDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC000884371875 645874798 /nfs/dbraw/zinc/87/47/98/645874798.db2.gz APCYFHZQEFLPTD-SFYZADRCSA-N 1 0 220.276 0.742 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)NCC=C)C1 ZINC000886355335 645885290 /nfs/dbraw/zinc/88/52/90/645885290.db2.gz GPDVLKSNQZPUMB-LLVKDONJSA-N 1 0 206.289 0.634 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886839556 645891727 /nfs/dbraw/zinc/89/17/27/645891727.db2.gz HKYDFBGPOFQIGY-VXGBXAGGSA-N 1 0 236.315 0.237 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000929162909 645981807 /nfs/dbraw/zinc/98/18/07/645981807.db2.gz VUYWIEGFJCCPEJ-MFKMUULPSA-N 1 0 234.299 0.732 20 30 BCEDRO C[NH+](C)C[C@H]1NC(=O)N(CCCCC#N)C1=O ZINC000924593880 646073990 /nfs/dbraw/zinc/07/39/90/646073990.db2.gz ZLMBGXZORDPPAV-SECBINFHSA-N 1 0 238.291 0.162 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(CNC(C)=O)CC1 ZINC000929342578 646088254 /nfs/dbraw/zinc/08/82/54/646088254.db2.gz RBXCCWUCXZDZAW-ZDUSSCGKSA-N 1 0 240.347 0.772 20 30 BCEDRO C[N@@H+]1C[C@@H](O)C[C@@H]1CNC(=O)C#CC(C)(C)C ZINC000924978871 646147971 /nfs/dbraw/zinc/14/79/71/646147971.db2.gz LLXLJVLJJINGDX-MNOVXSKESA-N 1 0 238.331 0.217 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H](n2ccnc2)C1 ZINC000929531044 646177825 /nfs/dbraw/zinc/17/78/25/646177825.db2.gz GMLYWKKZVODYPG-NWDGAFQWSA-N 1 0 234.303 0.795 20 30 BCEDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000929594199 646187981 /nfs/dbraw/zinc/18/79/81/646187981.db2.gz BZZFIXCBARTOLL-AXFHLTTASA-N 1 0 212.293 0.496 20 30 BCEDRO N#CC[C@@H](O)C[N@H+](CCO)CCc1ccccc1 ZINC000929632514 646213202 /nfs/dbraw/zinc/21/32/02/646213202.db2.gz XVVAKQHNPSMKPI-CQSZACIVSA-N 1 0 248.326 0.798 20 30 BCEDRO C=CCN1CC(=O)N([C@@H]2CC[N@@H+](CC)C2)C1=O ZINC000925316433 646237772 /nfs/dbraw/zinc/23/77/72/646237772.db2.gz KTNMHXGKEOMVOY-SNVBAGLBSA-N 1 0 237.303 0.531 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925323288 646239138 /nfs/dbraw/zinc/23/91/38/646239138.db2.gz CPEILSZSNQNODE-VHSXEESVSA-N 1 0 209.293 0.402 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC000925330647 646243726 /nfs/dbraw/zinc/24/37/26/646243726.db2.gz FYPXNSLNIDMIDR-PWSUYJOCSA-N 1 0 235.331 0.886 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925406411 646262311 /nfs/dbraw/zinc/26/23/11/646262311.db2.gz SNEYPEBNGWGNAQ-JTQLQIEISA-N 1 0 209.293 0.355 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000929757368 646276430 /nfs/dbraw/zinc/27/64/30/646276430.db2.gz QCVXFXLHEKGVMX-LLVKDONJSA-N 1 0 224.304 0.763 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925432736 646278634 /nfs/dbraw/zinc/27/86/34/646278634.db2.gz URPXZAWFQYIVDD-QWRGUYRKSA-N 1 0 241.335 0.317 20 30 BCEDRO CC[NH+](CC)C[C@@H]1CCN(C[C@H](O)CC#N)C1 ZINC000929751261 646283145 /nfs/dbraw/zinc/28/31/45/646283145.db2.gz YSIPVKJBMAVLOL-QWHCGFSZSA-N 1 0 239.363 0.925 20 30 BCEDRO N#CC1CCC(C[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000929769562 646296766 /nfs/dbraw/zinc/29/67/66/646296766.db2.gz STAGESAZAJPPPE-BPNZPQAUSA-N 1 0 238.331 0.744 20 30 BCEDRO N#CC1CCC(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000929772898 646300778 /nfs/dbraw/zinc/30/07/78/646300778.db2.gz QBVPSPXYWWQQAG-CAODYFQJSA-N 1 0 224.304 0.354 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)C[C@H](C)C(=O)NC ZINC000929776355 646306718 /nfs/dbraw/zinc/30/67/18/646306718.db2.gz KIRUGNWWOQTHAA-VHSXEESVSA-N 1 0 214.309 0.237 20 30 BCEDRO C[C@@H]1C[C@H](N(C)C[C@H](O)CC#N)CC[N@@H+]1C ZINC000929782379 646308366 /nfs/dbraw/zinc/30/83/66/646308366.db2.gz MGUQEWDNFVITTD-IJLUTSLNSA-N 1 0 225.336 0.675 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(NC(N)=O)CC1 ZINC000929807403 646329413 /nfs/dbraw/zinc/32/94/13/646329413.db2.gz NWIRNNREDNSFQS-SNVBAGLBSA-N 1 0 227.308 0.056 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(NC(N)=O)CC1 ZINC000929807402 646330677 /nfs/dbraw/zinc/33/06/77/646330677.db2.gz NWIRNNREDNSFQS-JTQLQIEISA-N 1 0 227.308 0.056 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCN[C@H]1C ZINC000925629870 646374191 /nfs/dbraw/zinc/37/41/91/646374191.db2.gz MBVBQNQBYLUAHM-SDDRHHMPSA-N 1 0 212.337 0.901 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCN[C@@H]1C ZINC000925629872 646374552 /nfs/dbraw/zinc/37/45/52/646374552.db2.gz MBVBQNQBYLUAHM-WOPDTQHZSA-N 1 0 212.337 0.901 20 30 BCEDRO CC#CC[NH2+][C@H]1CCOC12CCOCC2 ZINC000925649201 646389930 /nfs/dbraw/zinc/38/99/30/646389930.db2.gz BYELBBZSYQMPKZ-NSHDSACASA-N 1 0 209.289 0.937 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000930073108 646419136 /nfs/dbraw/zinc/41/91/36/646419136.db2.gz YRSSVIBVYOXDDQ-IJLUTSLNSA-N 1 0 224.304 0.619 20 30 BCEDRO C[C@@H](O)C[C@@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000930081191 646424247 /nfs/dbraw/zinc/42/42/47/646424247.db2.gz ICFBHMVKDUEESG-OUAUKWLOSA-N 1 0 212.293 0.496 20 30 BCEDRO N#CCc1ccc(CN[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925704677 646428562 /nfs/dbraw/zinc/42/85/62/646428562.db2.gz ITSBZUYBUASGBI-CQSZACIVSA-N 1 0 245.326 0.831 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CNCCOC1 ZINC000925712044 646436404 /nfs/dbraw/zinc/43/64/04/646436404.db2.gz ZKPRAAHASUODPJ-SRVKXCTJSA-N 1 0 226.320 0.156 20 30 BCEDRO C[C@@H]1CN(C[C@H](O)CC#N)[C@@H](C)C[N@@H+]1C ZINC000930161144 646467856 /nfs/dbraw/zinc/46/78/56/646467856.db2.gz GBMFYUQKPIBMBL-OUAUKWLOSA-N 1 0 211.309 0.285 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926115673 646576441 /nfs/dbraw/zinc/57/64/41/646576441.db2.gz MOSJPAZAAOOVFA-SECBINFHSA-N 1 0 212.293 0.303 20 30 BCEDRO CNS(=O)(=O)CC[NH2+][C@H](C)CC(C)(C)C#N ZINC000926243103 646602443 /nfs/dbraw/zinc/60/24/43/646602443.db2.gz ZLOFJURCRXAJNI-SECBINFHSA-N 1 0 247.364 0.454 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CO[C@H](C)[C@@H]1C ZINC000926126787 646578930 /nfs/dbraw/zinc/57/89/30/646578930.db2.gz UAMIEWOLTUUDDG-HBNTYKKESA-N 1 0 247.360 0.600 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)n2ncnc21 ZINC000926152832 646584516 /nfs/dbraw/zinc/58/45/16/646584516.db2.gz LGPJGAQZYQPKRH-OPRDCNLKSA-N 1 0 222.292 0.811 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCC1(OC)OC)[C@H]1CCCO1 ZINC000926211932 646596164 /nfs/dbraw/zinc/59/61/64/646596164.db2.gz WNASRWQLJYCNGN-TUAOUCFPSA-N 1 0 239.315 0.908 20 30 BCEDRO CNS(=O)(=O)CC[NH2+][C@@H](C)CC(C)(C)C#N ZINC000926243106 646603326 /nfs/dbraw/zinc/60/33/26/646603326.db2.gz ZLOFJURCRXAJNI-VIFPVBQESA-N 1 0 247.364 0.454 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@@H]1C[C@@H](C)n2ncnc21 ZINC000926491665 646661096 /nfs/dbraw/zinc/66/10/96/646661096.db2.gz YUNORQSHYVPTBX-VXGBXAGGSA-N 1 0 247.346 0.829 20 30 BCEDRO CNC(NCC[C@H]1CC(C)(C)CO1)=[NH+]C ZINC000717364269 711596687 /nfs/dbraw/zinc/59/66/87/711596687.db2.gz CGRQMPJKVILXCH-VIFPVBQESA-N 1 0 213.325 0.986 20 30 BCEDRO N#Cc1cncc(C[N@H+]2CCC[C@H]2CO)c1 ZINC000721543047 711619780 /nfs/dbraw/zinc/61/97/80/711619780.db2.gz VZZDISNWXDSXHK-LBPRGKRZSA-N 1 0 217.272 0.910 20 30 BCEDRO C[N@@H+]1CCC[C@H]2[C@H]1CCN2C(=O)CC#N ZINC000720817437 711686556 /nfs/dbraw/zinc/68/65/56/711686556.db2.gz RQXAKFWXUNKYQA-ZJUUUORDSA-N 1 0 207.277 0.595 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCSC(C)(C)C ZINC000397389972 711747271 /nfs/dbraw/zinc/74/72/71/711747271.db2.gz XLUIVRFNCUWZFM-UHFFFAOYSA-N 1 0 228.361 0.857 20 30 BCEDRO CNC(NCc1nc(CN(C)C)cs1)=[NH+]C ZINC000722389231 711752972 /nfs/dbraw/zinc/75/29/72/711752972.db2.gz ZKFQPRHBZBQBFT-UHFFFAOYSA-N 1 0 241.364 0.500 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000320404422 711783401 /nfs/dbraw/zinc/78/34/01/711783401.db2.gz PIHILGNIAAGVCJ-JTQLQIEISA-N 1 0 228.336 0.818 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)NCC#CC[NH+](C)C)CO1 ZINC000913520909 711823935 /nfs/dbraw/zinc/82/39/35/711823935.db2.gz DBSSWLPIBHGTBL-MNOVXSKESA-N 1 0 224.304 0.093 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@@]1(C)CCOC1 ZINC000913521107 711823998 /nfs/dbraw/zinc/82/39/98/711823998.db2.gz LEDILECZPOPZNZ-LBPRGKRZSA-N 1 0 224.304 0.094 20 30 BCEDRO C=CCCC(C)(C)CNS(=O)(=O)C1C[NH2+]C1 ZINC000707775710 711942266 /nfs/dbraw/zinc/94/22/66/711942266.db2.gz FPPHDLMRJZTWDH-UHFFFAOYSA-N 1 0 246.376 0.870 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](NC(=O)C(F)F)C12CCC2 ZINC001078521176 711943054 /nfs/dbraw/zinc/94/30/54/711943054.db2.gz LXLPLHYUDPVRQE-RKDXNWHRSA-N 1 0 242.269 0.902 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)CC)C1 ZINC001032848822 711962558 /nfs/dbraw/zinc/96/25/58/711962558.db2.gz FTAVOIIKGWPUGU-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C[C@H](C#N)C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000706315077 712143281 /nfs/dbraw/zinc/14/32/81/712143281.db2.gz UYTIHEKIJCCBSC-WXHSDQCUSA-N 1 0 235.331 0.946 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)CC(C)(C)[NH3+] ZINC000707280531 712168477 /nfs/dbraw/zinc/16/84/77/712168477.db2.gz NHSDTVNUVRUSSW-UHFFFAOYSA-N 1 0 242.319 0.692 20 30 BCEDRO C#CC1(O)CC[NH+]([C@H](C)C(=O)NCCC)CC1 ZINC000708142393 712183200 /nfs/dbraw/zinc/18/32/00/712183200.db2.gz GBPJKUPGESPKMH-LLVKDONJSA-N 1 0 238.331 0.361 20 30 BCEDRO C[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000708314145 712186597 /nfs/dbraw/zinc/18/65/97/712186597.db2.gz ZEXHKKYWBYQICI-WDEREUQCSA-N 1 0 239.319 0.252 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H]2CN(C(C)=O)CC[C@@H]21 ZINC001036609738 712224657 /nfs/dbraw/zinc/22/46/57/712224657.db2.gz FVCVPUYNLFBLHS-STQMWFEESA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]2CN(C(C)=O)CC[C@@H]21 ZINC001036610794 712224723 /nfs/dbraw/zinc/22/47/23/712224723.db2.gz UOMVIMKXKCOMMQ-STQMWFEESA-N 1 0 220.316 0.952 20 30 BCEDRO CC[C@]1(O)CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000710636012 712264453 /nfs/dbraw/zinc/26/44/53/712264453.db2.gz QWGUHGKYALYDJT-LBPRGKRZSA-N 1 0 239.319 0.253 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1COC[C@H]1C ZINC000710949809 712267310 /nfs/dbraw/zinc/26/73/10/712267310.db2.gz NSSOHFIIEHZDQT-KXUCPTDWSA-N 1 0 212.293 0.302 20 30 BCEDRO C#CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000710996991 712273618 /nfs/dbraw/zinc/27/36/18/712273618.db2.gz NEVDIKRRPRZAJB-SNVBAGLBSA-N 1 0 242.344 0.166 20 30 BCEDRO C#CCCS(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000711065481 712278121 /nfs/dbraw/zinc/27/81/21/712278121.db2.gz PUJQOBXRCVWAIV-MNOVXSKESA-N 1 0 244.360 0.364 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001079391738 712348392 /nfs/dbraw/zinc/34/83/92/712348392.db2.gz KXQLHYJFNFEZQN-IJLUTSLNSA-N 1 0 236.315 0.235 20 30 BCEDRO N#CCCOCC[NH2+][C@H](CCO)C1CC1 ZINC000378744589 712359833 /nfs/dbraw/zinc/35/98/33/712359833.db2.gz QSDWLLGBELURHQ-LLVKDONJSA-N 1 0 212.293 0.667 20 30 BCEDRO CC[C@H](C)[C@H]([NH2+]CCOCCC#N)C(N)=O ZINC000378857096 712363709 /nfs/dbraw/zinc/36/37/09/712363709.db2.gz LGYXGYWESAEZNF-UWVGGRQHSA-N 1 0 227.308 0.406 20 30 BCEDRO CC(=[NH+]NCCO)c1ccc(N)cc1C ZINC000378864117 712364849 /nfs/dbraw/zinc/36/48/49/712364849.db2.gz WXAAPQKXQPDTLK-UHFFFAOYSA-N 1 0 207.277 0.883 20 30 BCEDRO CC[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000772981823 712414689 /nfs/dbraw/zinc/41/46/89/712414689.db2.gz GKLKLXOZFGNTBX-NPAAXYOMSA-N 1 0 237.303 0.901 20 30 BCEDRO CC#CCC[NH+]1CCC(C(=O)NCCO)CC1 ZINC000712607291 712437257 /nfs/dbraw/zinc/43/72/57/712437257.db2.gz GUMWADKMRKKDSW-UHFFFAOYSA-N 1 0 238.331 0.220 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715127706 712511527 /nfs/dbraw/zinc/51/15/27/712511527.db2.gz XACDYWRKPYKIGZ-ACZMJKKPSA-N 1 0 204.220 0.517 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000715866911 712538184 /nfs/dbraw/zinc/53/81/84/712538184.db2.gz XHOVDIFGNJMXRI-NSHDSACASA-N 1 0 238.331 0.526 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715946263 712544919 /nfs/dbraw/zinc/54/49/19/712544919.db2.gz RKLPQMGLWIJEAV-NXEZZACHSA-N 1 0 224.308 0.793 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)COCC ZINC000716341285 712555461 /nfs/dbraw/zinc/55/54/61/712555461.db2.gz VPLMEUFSTMSBLM-MNOVXSKESA-N 1 0 215.293 0.012 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]CCS(=O)(=O)CC ZINC000716340026 712555536 /nfs/dbraw/zinc/55/55/36/712555536.db2.gz LPGZDXUGJOXJNL-JTQLQIEISA-N 1 0 233.333 0.049 20 30 BCEDRO C=CCOCC[N@@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880523706 712633493 /nfs/dbraw/zinc/63/34/93/712633493.db2.gz KNGILGSRGCLKQG-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CCC[C@H](O)CNc1cc[nH+]cc1C ZINC000379961419 712636803 /nfs/dbraw/zinc/63/68/03/712636803.db2.gz WZKUOJBTBUYXQY-NSHDSACASA-N 1 0 204.273 0.998 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000717281678 712644608 /nfs/dbraw/zinc/64/46/08/712644608.db2.gz SWFNYDNAWYOILO-ZJUUUORDSA-N 1 0 214.309 0.648 20 30 BCEDRO C=CCC1(O)CC[NH+](CC(=O)NC)CC1 ZINC000717406526 712655794 /nfs/dbraw/zinc/65/57/94/712655794.db2.gz ONHOZFYZRVGPSP-UHFFFAOYSA-N 1 0 212.293 0.135 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CC2(CO1)CCOCC2 ZINC000717462213 712659514 /nfs/dbraw/zinc/65/95/14/712659514.db2.gz XRHWIFDDKZKJTK-NEPJUHHUSA-N 1 0 241.331 0.709 20 30 BCEDRO C=CCC1(O)CC[NH+]([C@@H](CC)C(N)=O)CC1 ZINC000717422956 712657690 /nfs/dbraw/zinc/65/76/90/712657690.db2.gz IJJYLEYIKAFQGD-JTQLQIEISA-N 1 0 226.320 0.653 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCN(OCC)CC1 ZINC000717535202 712660755 /nfs/dbraw/zinc/66/07/55/712660755.db2.gz UPZMODJWQCYBAF-SNVBAGLBSA-N 1 0 214.309 0.539 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000717741816 712668582 /nfs/dbraw/zinc/66/85/82/712668582.db2.gz ZQDSIPVHWAVLME-JTQLQIEISA-N 1 0 226.320 0.265 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CC(F)(F)F ZINC000717748333 712668876 /nfs/dbraw/zinc/66/88/76/712668876.db2.gz ILRDAJLJHYPCHQ-JGVFFNPUSA-N 1 0 225.210 0.274 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC000717852406 712694878 /nfs/dbraw/zinc/69/48/78/712694878.db2.gz QWFGLKBSLWHTEI-GFCCVEGCSA-N 1 0 238.331 0.219 20 30 BCEDRO N#C[C@H]1CCC[N@@H+](C[C@H]2CNC(=O)C2)C1 ZINC000932154971 712716080 /nfs/dbraw/zinc/71/60/80/712716080.db2.gz UGOINCMNVVMPHD-NXEZZACHSA-N 1 0 207.277 0.358 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)COC(C)C ZINC000717897124 712731926 /nfs/dbraw/zinc/73/19/26/712731926.db2.gz AOIYKCBQTNZVAA-RYUDHWBXSA-N 1 0 229.320 0.136 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccccc1 ZINC000717957442 712735488 /nfs/dbraw/zinc/73/54/88/712735488.db2.gz BSQBGTZZTNIUHZ-UHFFFAOYSA-N 1 0 216.284 0.981 20 30 BCEDRO CC[C@H](CO)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000037888155 712780972 /nfs/dbraw/zinc/78/09/72/712780972.db2.gz ARVQDSDQJKMIIY-CHWSQXEVSA-N 1 0 234.299 0.952 20 30 BCEDRO C[C@@H]1[C@@H](Nc2ccnc(C#N)n2)CC[N@@H+]1C ZINC000719597143 712812964 /nfs/dbraw/zinc/81/29/64/712812964.db2.gz DLMNPYIALVBBKQ-BDAKNGLRSA-N 1 0 217.276 0.275 20 30 BCEDRO C[C@@H]1[C@H](Nc2nccnc2C#N)CC[N@@H+]1C ZINC000719604456 712815956 /nfs/dbraw/zinc/81/59/56/712815956.db2.gz VSWNNPNBXVKNOV-RKDXNWHRSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@@H]1[C@H](Nc2ccnc(C#N)c2)CC[N@@H+]1C ZINC000719604359 712815969 /nfs/dbraw/zinc/81/59/69/712815969.db2.gz UZGAKNLELLHSHW-BXKDBHETSA-N 1 0 216.288 0.880 20 30 BCEDRO C#CCNC(=O)C[NH2+]C(CC)(CC)CCO ZINC000381347984 710625609 /nfs/dbraw/zinc/62/56/09/710625609.db2.gz ZQDUMRUZAXJZKJ-UHFFFAOYSA-N 1 0 226.320 0.267 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCS1 ZINC000381483130 710645108 /nfs/dbraw/zinc/64/51/08/710645108.db2.gz FZXZIGUNZPIUFY-VGMNWLOBSA-N 1 0 225.317 0.110 20 30 BCEDRO CC#CCN1CC[C@H]1CNC(=O)c1cnccn1 ZINC001038021458 712898883 /nfs/dbraw/zinc/89/88/83/712898883.db2.gz ONBWDTCWFHZZCN-NSHDSACASA-N 1 0 244.298 0.304 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)N(C)C)[C@H]1CCCO1 ZINC000381504635 710648031 /nfs/dbraw/zinc/64/80/31/710648031.db2.gz JGGKJUWNADVLLU-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)C2CC2)C1=O ZINC000381509097 710648769 /nfs/dbraw/zinc/64/87/69/710648769.db2.gz VDGBZBBKBCBGDI-GHMZBOCLSA-N 1 0 224.304 0.134 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)C2CC2)C1=O ZINC000381509100 710648895 /nfs/dbraw/zinc/64/88/95/710648895.db2.gz VDGBZBBKBCBGDI-MNOVXSKESA-N 1 0 224.304 0.134 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@](C)(O)C(=O)OC ZINC000384136386 710658473 /nfs/dbraw/zinc/65/84/73/710658473.db2.gz CAPBMNXYUXMMJI-QWRGUYRKSA-N 1 0 213.277 0.302 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC000384138815 710659199 /nfs/dbraw/zinc/65/91/99/710659199.db2.gz FGLPCSGIVOWNEC-CABZTGNLSA-N 1 0 239.319 0.612 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@@H](C)C(=O)NC(=O)NCC ZINC000384138818 710659913 /nfs/dbraw/zinc/65/99/13/710659913.db2.gz FGLPCSGIVOWNEC-JOYOIKCWSA-N 1 0 239.319 0.612 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001018749433 710668908 /nfs/dbraw/zinc/66/89/08/710668908.db2.gz RSRFABZSXFIRLK-NSHDSACASA-N 1 0 232.287 0.467 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC001018750490 710669036 /nfs/dbraw/zinc/66/90/36/710669036.db2.gz KJQBWVVAFRYZHW-JTQLQIEISA-N 1 0 247.298 0.777 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC001018757211 710669605 /nfs/dbraw/zinc/66/96/05/710669605.db2.gz IYOPUTXWOROKAX-LBPRGKRZSA-N 1 0 234.299 0.157 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccon2)C1 ZINC001020000448 710674037 /nfs/dbraw/zinc/67/40/37/710674037.db2.gz PSJCFORHVAYEJB-KYZUINATSA-N 1 0 219.244 0.158 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cncnc2C)C1 ZINC001020000565 710674066 /nfs/dbraw/zinc/67/40/66/710674066.db2.gz STENKXHIVOZVBY-XYPYZODXSA-N 1 0 244.298 0.269 20 30 BCEDRO C#CCCN1CC[C@H]1CNC(=O)c1ccsn1 ZINC001038390223 710684340 /nfs/dbraw/zinc/68/43/40/710684340.db2.gz HLPOXOBPTFQGEF-JTQLQIEISA-N 1 0 249.339 0.971 20 30 BCEDRO CCNC(=O)C(C)(C)[NH2+]Cc1cncc(C#N)c1 ZINC000721603545 710684421 /nfs/dbraw/zinc/68/44/21/710684421.db2.gz CKIIAHYCAZRRBS-UHFFFAOYSA-N 1 0 246.314 0.958 20 30 BCEDRO C#CCN1CC[C@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001038416774 710685928 /nfs/dbraw/zinc/68/59/28/710685928.db2.gz LLMFEHUMMGUXDL-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)c1cccnc1 ZINC000381719352 710685990 /nfs/dbraw/zinc/68/59/90/710685990.db2.gz LPWAHSYEOQRRSB-JTQLQIEISA-N 1 0 217.272 0.482 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](COC)C(C)C ZINC000381742083 710693880 /nfs/dbraw/zinc/69/38/80/710693880.db2.gz PEFADDKSPGHFNV-NSHDSACASA-N 1 0 249.376 0.848 20 30 BCEDRO CC#CCN1CC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001038797948 710706213 /nfs/dbraw/zinc/70/62/13/710706213.db2.gz WESJHTMNLXBELS-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccncn1 ZINC001038826808 710709890 /nfs/dbraw/zinc/70/98/90/710709890.db2.gz NLBFUCIPGRBVBN-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccncn1 ZINC001038826809 710711125 /nfs/dbraw/zinc/71/11/25/710711125.db2.gz NLBFUCIPGRBVBN-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039016736 710717391 /nfs/dbraw/zinc/71/73/91/710717391.db2.gz KNQJCGVHFXUUHO-NWDGAFQWSA-N 1 0 237.347 0.315 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@]2(CCN(C(C)=O)C2)C1 ZINC001040971083 710761499 /nfs/dbraw/zinc/76/14/99/710761499.db2.gz FGTRCTOWCFIRIB-CYBMUJFWSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)C3CC3)C2)C1 ZINC001040985679 710761803 /nfs/dbraw/zinc/76/18/03/710761803.db2.gz NPKRFGWXDROSCC-CQSZACIVSA-N 1 0 232.327 0.954 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]2CCN(C(C)=O)C[C@H]21 ZINC001041868709 710769633 /nfs/dbraw/zinc/76/96/33/710769633.db2.gz LQYUWWKZZGDYSJ-QWHCGFSZSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCN1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001042745156 710797795 /nfs/dbraw/zinc/79/77/95/710797795.db2.gz NHCCQZZQPNMYAB-DGCLKSJQSA-N 1 0 249.358 0.102 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC000384193565 710814767 /nfs/dbraw/zinc/81/47/67/710814767.db2.gz IIPNIRFUBYWBSE-RWMBFGLXSA-N 1 0 243.347 0.790 20 30 BCEDRO C#C[C@@](C)(CC)NC[C@@H](O)C[NH+]1CCCC1 ZINC000384227108 710836284 /nfs/dbraw/zinc/83/62/84/710836284.db2.gz VRVIWPGYGAQIPN-OLZOCXBDSA-N 1 0 224.348 0.835 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NC1CCOCC1 ZINC000384196168 710821383 /nfs/dbraw/zinc/82/13/83/710821383.db2.gz JLOKLJXOEHBQKS-CYBMUJFWSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(F)F)[C@H](C)C1 ZINC001044393539 710824909 /nfs/dbraw/zinc/82/49/09/710824909.db2.gz LRHAWIDFQPVBTI-RKDXNWHRSA-N 1 0 230.258 0.854 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)[C@H](C)C1 ZINC001044478104 710827839 /nfs/dbraw/zinc/82/78/39/710827839.db2.gz LIQUASPRSORNRX-GHMZBOCLSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccon2)[C@@H](C)C1 ZINC001044481402 710828170 /nfs/dbraw/zinc/82/81/70/710828170.db2.gz GALXTZRKQDLEBY-WDEREUQCSA-N 1 0 247.298 0.891 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000384227089 710836805 /nfs/dbraw/zinc/83/68/05/710836805.db2.gz VQRVGVBCRRWJLD-STQMWFEESA-N 1 0 240.347 0.071 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)c2ccn[nH]2)C1 ZINC001046162506 710852857 /nfs/dbraw/zinc/85/28/57/710852857.db2.gz JVEPBNKRCQWIIS-LBPRGKRZSA-N 1 0 232.287 0.237 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ccn[nH]2)C1 ZINC001046158882 710852958 /nfs/dbraw/zinc/85/29/58/710852958.db2.gz QLKCZKYFCCGEFW-CYBMUJFWSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cocn3)C[C@H]2C1 ZINC001048721395 710887334 /nfs/dbraw/zinc/88/73/34/710887334.db2.gz BKWZAMYZWHXVAQ-PHIMTYICSA-N 1 0 245.282 0.312 20 30 BCEDRO CCC[N@H+]1C[C@H]2CN(C(=O)[C@H](C)C#N)C[C@H]2C1 ZINC001048724985 710887461 /nfs/dbraw/zinc/88/74/61/710887461.db2.gz MIIXBSUEQUCPLL-UTUOFQBUSA-N 1 0 235.331 0.946 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048811011 710888046 /nfs/dbraw/zinc/88/80/46/710888046.db2.gz YKKWWKQUCPAZLF-OKILXGFUSA-N 1 0 242.322 0.423 20 30 BCEDRO C=CCC[NH+]1CC2(C1)CC[C@H](CNC(C)=O)O2 ZINC001053558396 710921461 /nfs/dbraw/zinc/92/14/61/710921461.db2.gz PQECVDGCWHEVDS-GFCCVEGCSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2CCC2)C[C@H]1C ZINC001054315041 710928570 /nfs/dbraw/zinc/92/85/70/710928570.db2.gz ZCGXHUCWHUUKQR-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1C ZINC001054346575 710930124 /nfs/dbraw/zinc/93/01/24/710930124.db2.gz XSRAJUBUCCOPSL-CMPLNLGQSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)on2)C[C@@H]1C ZINC001054360136 710930588 /nfs/dbraw/zinc/93/05/88/710930588.db2.gz BAKRZJBIKKHVEY-JOYOIKCWSA-N 1 0 247.298 0.666 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cnccn2)C[C@@H]1C ZINC001054346576 710930615 /nfs/dbraw/zinc/93/06/15/710930615.db2.gz XSRAJUBUCCOPSL-JQWIXIFHSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)CSC)C[C@@H]1C ZINC001054360866 710931695 /nfs/dbraw/zinc/93/16/95/710931695.db2.gz IESDQDDSFVPUPU-UWVGGRQHSA-N 1 0 226.345 0.419 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1C ZINC001054420479 710934314 /nfs/dbraw/zinc/93/43/14/710934314.db2.gz WIQZZMNKAUZZCS-GXSJLCMTSA-N 1 0 234.303 0.646 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C ZINC001054420487 710934424 /nfs/dbraw/zinc/93/44/24/710934424.db2.gz WIQZZMNKAUZZCS-KOLCDFICSA-N 1 0 234.303 0.646 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cncs2)C[C@H]1C ZINC001054453382 710935234 /nfs/dbraw/zinc/93/52/34/710935234.db2.gz AWONKZATPGRMQJ-ZJUUUORDSA-N 1 0 249.339 0.826 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cncs2)C[C@H]1C ZINC001054453372 710935249 /nfs/dbraw/zinc/93/52/49/710935249.db2.gz AWONKZATPGRMQJ-NXEZZACHSA-N 1 0 249.339 0.826 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cocn2)C[C@H]1C ZINC001054481162 710935942 /nfs/dbraw/zinc/93/59/42/710935942.db2.gz VDXIJRTVRMPHAW-ZJUUUORDSA-N 1 0 235.287 0.911 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@@H]1C ZINC001054481161 710935988 /nfs/dbraw/zinc/93/59/88/710935988.db2.gz VDXIJRTVRMPHAW-VHSXEESVSA-N 1 0 235.287 0.911 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@@H]1C ZINC001054476733 710936172 /nfs/dbraw/zinc/93/61/72/710936172.db2.gz ABXQNXLSMBMHPF-JOYOIKCWSA-N 1 0 246.314 0.401 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ocnc2C)C[C@H]1C ZINC001054536365 710937477 /nfs/dbraw/zinc/93/74/77/710937477.db2.gz ZPRRHUQKIGPTSA-MWLCHTKSSA-N 1 0 247.298 0.666 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C ZINC001054560844 710937995 /nfs/dbraw/zinc/93/79/95/710937995.db2.gz VQWHSTHZPZYQLS-GHMZBOCLSA-N 1 0 246.314 0.103 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001054620641 710939205 /nfs/dbraw/zinc/93/92/05/710939205.db2.gz QLJGKWSTNIKJIR-NXEZZACHSA-N 1 0 249.318 0.051 20 30 BCEDRO CC[NH2+][C@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@H]1C ZINC001054606614 710939320 /nfs/dbraw/zinc/93/93/20/710939320.db2.gz WNAHJMCSNQPCMX-SKDRFNHKSA-N 1 0 246.314 0.956 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cncnc2)C[C@H]1C ZINC001054589004 710939433 /nfs/dbraw/zinc/93/94/33/710939433.db2.gz MHNXOIDYVYAXSR-PWSUYJOCSA-N 1 0 246.314 0.713 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@H]1C ZINC001054639321 710940468 /nfs/dbraw/zinc/94/04/68/710940468.db2.gz YUFYIBFEGBLHNX-NXEZZACHSA-N 1 0 249.318 0.051 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1C ZINC001054656883 710940623 /nfs/dbraw/zinc/94/06/23/710940623.db2.gz LTFSTINLDPJLRJ-QWRGUYRKSA-N 1 0 248.330 0.954 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1C ZINC001054954055 710942468 /nfs/dbraw/zinc/94/24/68/710942468.db2.gz NCVPETPGTGUFSM-JOYOIKCWSA-N 1 0 248.330 0.954 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1C ZINC001054998266 710944278 /nfs/dbraw/zinc/94/42/78/710944278.db2.gz YSQJOUMSOGBMJH-JQWIXIFHSA-N 1 0 247.298 0.287 20 30 BCEDRO C#CC[NH+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)CC1 ZINC001050460910 710953302 /nfs/dbraw/zinc/95/33/02/710953302.db2.gz AKXPWRAGOURKHE-GFCCVEGCSA-N 1 0 245.326 0.704 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052518865 710964117 /nfs/dbraw/zinc/96/41/17/710964117.db2.gz ODYHXALBPMAXTJ-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO C=C1CCN(C(=O)[C@H]([NH3+])CCOC)CC1 ZINC000382557660 710973139 /nfs/dbraw/zinc/97/31/39/710973139.db2.gz NJUCXGJFDQKVPB-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)Cn1cccn1 ZINC000384133198 710989539 /nfs/dbraw/zinc/98/95/39/710989539.db2.gz CUXOMXWWRSZIEC-RYUDHWBXSA-N 1 0 221.304 0.636 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NCCCOC ZINC000384139908 710990670 /nfs/dbraw/zinc/99/06/70/710990670.db2.gz FOWSQGDCRSFYAX-LBPRGKRZSA-N 1 0 226.320 0.531 20 30 BCEDRO CC1(C)[C@@H](O)C[C@@H]1[NH2+]CCOCCC#N ZINC000385225790 711008239 /nfs/dbraw/zinc/00/82/39/711008239.db2.gz MKYZCJQENOSUEN-UWVGGRQHSA-N 1 0 212.293 0.666 20 30 BCEDRO C#CCCC[NH2+]C[C@@H](O)CCC(=O)OCC ZINC000385428290 711012513 /nfs/dbraw/zinc/01/25/13/711012513.db2.gz MIRAXSCIBKNAIN-NSHDSACASA-N 1 0 227.304 0.694 20 30 BCEDRO CCOCC(C)(C)CNC(NC)=[NH+]C ZINC000386269569 711026595 /nfs/dbraw/zinc/02/65/95/711026595.db2.gz LXAIPNZVVNWXAI-UHFFFAOYSA-N 1 0 201.314 0.844 20 30 BCEDRO C#CCCC[N@@H+](CC)[C@H]1CCS(=O)(=O)C1 ZINC000387276047 711042298 /nfs/dbraw/zinc/04/22/98/711042298.db2.gz NQBREQAUNSVBFC-NSHDSACASA-N 1 0 229.345 0.909 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH+]1CCCC1 ZINC000389509335 711080091 /nfs/dbraw/zinc/08/00/91/711080091.db2.gz IJDWMDFBWZWWGA-LLVKDONJSA-N 1 0 211.309 0.289 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]CC[C@@H]1CCOC1 ZINC000390355255 711113331 /nfs/dbraw/zinc/11/33/31/711113331.db2.gz QGJOUSGIGMVDJT-LLVKDONJSA-N 1 0 247.360 0.603 20 30 BCEDRO CNC(NCC(C)(C)C[C@H](C)O)=[NH+]C ZINC000393573337 711164622 /nfs/dbraw/zinc/16/46/22/711164622.db2.gz MOJJZFBCDWUUEJ-QMMMGPOBSA-N 1 0 201.314 0.578 20 30 BCEDRO C#CC[N@H+]1CC[C@@]2(C1)CN(C(C)=O)C[C@H](C)O2 ZINC001071107824 711166638 /nfs/dbraw/zinc/16/66/38/711166638.db2.gz ONXRJDUFZYRAMF-WCQYABFASA-N 1 0 236.315 0.331 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](NC(C)=O)CC[C@@H]1C ZINC001071285974 711184694 /nfs/dbraw/zinc/18/46/94/711184694.db2.gz NYBKXBBPUHGACO-JQWIXIFHSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[N@H+]1C[C@H](NC(=O)C2CC2)CC[C@@H]1C ZINC001071291877 711185568 /nfs/dbraw/zinc/18/55/68/711185568.db2.gz QMNINTBETWAGFZ-CMPLNLGQSA-N 1 0 220.316 0.999 20 30 BCEDRO CC#CC[N@@H+]1C[C@H](NC(C)=O)CC[C@@H]1C ZINC001071289785 711185904 /nfs/dbraw/zinc/18/59/04/711185904.db2.gz XJJSFZFWYMTXKL-CMPLNLGQSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[N@H+]1C[C@@H](NC(=O)c2cn[nH]n2)CC[C@@H]1C ZINC001071635000 711198051 /nfs/dbraw/zinc/19/80/51/711198051.db2.gz MBDDQLAMDRNWLT-UWVGGRQHSA-N 1 0 249.318 0.573 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCS(=O)(=O)N(C)C ZINC000395268975 711205863 /nfs/dbraw/zinc/20/58/63/711205863.db2.gz PPJMIVZPWKUITD-JTQLQIEISA-N 1 0 232.349 0.269 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395313476 711207183 /nfs/dbraw/zinc/20/71/83/711207183.db2.gz HUJCJVSNZDHBNI-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO CCNC(NC[C@H](O)C(C)C)=[NH+]CC ZINC000395552362 711212656 /nfs/dbraw/zinc/21/26/56/711212656.db2.gz URWWAGBJCKEYPP-VIFPVBQESA-N 1 0 201.314 0.578 20 30 BCEDRO CCNC(NCC[C@@H]1CCOC1)=[NH+]CC ZINC000395544813 711213667 /nfs/dbraw/zinc/21/36/67/711213667.db2.gz DECAENBJSZROCX-SNVBAGLBSA-N 1 0 213.325 0.988 20 30 BCEDRO CCNC(NC[C@H](O)C(F)(F)F)=[NH+]CC ZINC000395538202 711213671 /nfs/dbraw/zinc/21/36/71/711213671.db2.gz KSRAFHYVWNBZRU-LURJTMIESA-N 1 0 227.230 0.485 20 30 BCEDRO CCNC(NC[C@H](O)CC(C)C)=[NH+]CC ZINC000395833323 711216971 /nfs/dbraw/zinc/21/69/71/711216971.db2.gz ZKNWVDGMSZJVDP-SNVBAGLBSA-N 1 0 215.341 0.968 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@@H](C)C[C@@H]1CC ZINC000399496065 711430377 /nfs/dbraw/zinc/43/03/77/711430377.db2.gz JJHMNBNMHOAGKL-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCC[N@@H+]1CCCO[C@@H](CNC(C)=O)C1 ZINC001073503545 711439954 /nfs/dbraw/zinc/43/99/54/711439954.db2.gz JAIFKTHGKGQZKJ-LBPRGKRZSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccsn2)C1 ZINC001014873824 710612702 /nfs/dbraw/zinc/61/27/02/710612702.db2.gz FGELFLVDYOFQPK-SNVBAGLBSA-N 1 0 249.339 0.971 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1CCCC1 ZINC000381480116 710643541 /nfs/dbraw/zinc/64/35/41/710643541.db2.gz CNQHOUREWJCDCB-UWVGGRQHSA-N 1 0 207.277 0.404 20 30 BCEDRO C#CCN1CC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001038791668 710705527 /nfs/dbraw/zinc/70/55/27/710705527.db2.gz GKIJMODJKDBQDZ-SNVBAGLBSA-N 1 0 232.287 0.155 20 30 BCEDRO C#CC[NH+]1CCC(C)(NC(=O)c2cocn2)CC1 ZINC001045381897 710838100 /nfs/dbraw/zinc/83/81/00/710838100.db2.gz TWJFFBGQNCCWRH-UHFFFAOYSA-N 1 0 247.298 0.892 20 30 BCEDRO C[C@@H](C#N)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000900401965 710843241 /nfs/dbraw/zinc/84/32/41/710843241.db2.gz ZYUJCXOMELYOSB-VIFPVBQESA-N 1 0 237.303 0.125 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2cccn2C)C1 ZINC001046148821 710852022 /nfs/dbraw/zinc/85/20/22/710852022.db2.gz DXDSLNJVHJFLIO-CQSZACIVSA-N 1 0 245.326 0.853 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@](C)(NC(=O)c2cn[nH]n2)C1 ZINC001046439729 710860227 /nfs/dbraw/zinc/86/02/27/710860227.db2.gz ZQTDWOKPNBHIDH-GFCCVEGCSA-N 1 0 249.318 0.575 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052673017 710917947 /nfs/dbraw/zinc/91/79/47/710917947.db2.gz WYHZVKXMVYKNCV-SNVBAGLBSA-N 1 0 239.319 0.019 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)no2)C[C@@H]1C ZINC001054378630 710932693 /nfs/dbraw/zinc/93/26/93/710932693.db2.gz XQMGVYCYSSFMIF-GXSJLCMTSA-N 1 0 247.298 0.666 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccoc2)C[C@@H]1C ZINC001054379098 710933099 /nfs/dbraw/zinc/93/30/99/710933099.db2.gz DOTKLCZCSCVGKJ-JQWIXIFHSA-N 1 0 232.283 0.963 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc(C)no2)C[C@H]1C ZINC001054378631 710933196 /nfs/dbraw/zinc/93/31/96/710933196.db2.gz XQMGVYCYSSFMIF-KOLCDFICSA-N 1 0 247.298 0.666 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(C)C)C[C@@H]1C ZINC001054398060 710933583 /nfs/dbraw/zinc/93/35/83/710933583.db2.gz IYPZACMECJPQBK-WDEREUQCSA-N 1 0 208.305 0.712 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001054842998 710941563 /nfs/dbraw/zinc/94/15/63/710941563.db2.gz ZURPMQNLTMINJO-PSASIEDQSA-N 1 0 235.291 0.041 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@H]1C ZINC001054963107 710943167 /nfs/dbraw/zinc/94/31/67/710943167.db2.gz WYUJKYFCWHYFND-PSASIEDQSA-N 1 0 249.318 0.349 20 30 BCEDRO C=CC(C)(C)C(=O)N1C[C@@H](C)[C@@H]([NH2+]CCO)C1 ZINC001054976306 710943685 /nfs/dbraw/zinc/94/36/85/710943685.db2.gz KOQNFIYFTOKJIK-MNOVXSKESA-N 1 0 240.347 0.627 20 30 BCEDRO N#CCCNC(=O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000383249447 710979055 /nfs/dbraw/zinc/97/90/55/710979055.db2.gz QVGAAQLLLRXTPC-LLVKDONJSA-N 1 0 239.319 0.111 20 30 BCEDRO COC(=O)N[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000385341383 711010808 /nfs/dbraw/zinc/01/08/08/711010808.db2.gz XXLYGLZKPBWMIR-JTQLQIEISA-N 1 0 241.291 0.347 20 30 BCEDRO Cc1ncsc1CCNC1=[NH+]C[C@@H](C)N1 ZINC000391257833 711137411 /nfs/dbraw/zinc/13/74/11/711137411.db2.gz GPENZSGPPYSURG-SSDOTTSWSA-N 1 0 224.333 0.931 20 30 BCEDRO CCNC(NC[C@@]1(C)CCOC1)=[NH+]CC ZINC000397172828 711378190 /nfs/dbraw/zinc/37/81/90/711378190.db2.gz FLIOJRJIHVTCHT-LLVKDONJSA-N 1 0 213.325 0.988 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)C#N)[C@H]1C ZINC001074567960 711443762 /nfs/dbraw/zinc/44/37/62/711443762.db2.gz DUVVXXCWRPNSNP-VWYCJHECSA-N 1 0 221.304 0.911 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cncnc1 ZINC001038187558 711477081 /nfs/dbraw/zinc/47/70/81/711477081.db2.gz ROSHUIWQDNDMQI-GFCCVEGCSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccon2)C1 ZINC001021856078 711506989 /nfs/dbraw/zinc/50/69/89/711506989.db2.gz PSJCFORHVAYEJB-DTORHVGOSA-N 1 0 219.244 0.158 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001021967389 711511870 /nfs/dbraw/zinc/51/18/70/711511870.db2.gz ABVKPITYQXKEND-TUAOUCFPSA-N 1 0 238.331 0.978 20 30 BCEDRO C#CCC1([NH2+]CC(=O)NC(=O)NCC=C)CCC1 ZINC000933303393 711515549 /nfs/dbraw/zinc/51/55/49/711515549.db2.gz VAZVADGAZZHQNN-UHFFFAOYSA-N 1 0 249.314 0.534 20 30 BCEDRO N#CC[C@@H](O)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933376334 711528182 /nfs/dbraw/zinc/52/81/82/711528182.db2.gz RCNCLQWJIYVDIK-GHMZBOCLSA-N 1 0 224.304 0.952 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC001038040427 711565586 /nfs/dbraw/zinc/56/55/86/711565586.db2.gz AKHXHQBMLQDDJG-GFCCVEGCSA-N 1 0 248.330 0.800 20 30 BCEDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000717286798 711594715 /nfs/dbraw/zinc/59/47/15/711594715.db2.gz FLRDCYATHCWYKE-XVKPBYJWSA-N 1 0 226.301 0.451 20 30 BCEDRO CC[N@H+](CCO)Cc1cncc(C#N)c1 ZINC000721541481 711620190 /nfs/dbraw/zinc/62/01/90/711620190.db2.gz PQFFTNMNXPHUFE-UHFFFAOYSA-N 1 0 205.261 0.767 20 30 BCEDRO C[C@H]1C[N@H+](Cc2cncc(C#N)c2)C[C@H]1O ZINC000721556819 711624634 /nfs/dbraw/zinc/62/46/34/711624634.db2.gz MQNMNDIAQUFDMO-JOYOIKCWSA-N 1 0 217.272 0.766 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC000972544273 711624855 /nfs/dbraw/zinc/62/48/55/711624855.db2.gz KFMNMCZKTJRGDX-SNVBAGLBSA-N 1 0 249.318 0.147 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1COCC[C@H]1OC ZINC000724894628 711626115 /nfs/dbraw/zinc/62/61/15/711626115.db2.gz RTFHECRSNAIIMR-HBNTYKKESA-N 1 0 242.319 0.071 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccncn2)C1 ZINC000972567385 711633405 /nfs/dbraw/zinc/63/34/05/711633405.db2.gz GOTYQYOPTAADED-NSHDSACASA-N 1 0 244.298 0.256 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2cnco2)C1 ZINC001023515507 711636274 /nfs/dbraw/zinc/63/62/74/711636274.db2.gz BTDJHGCCONSVNT-NSHDSACASA-N 1 0 247.298 0.750 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H]2CCN(C(C)=O)[C@@H]2C1 ZINC001075470056 711638731 /nfs/dbraw/zinc/63/87/31/711638731.db2.gz YPQYJEWURMHSGI-NWDGAFQWSA-N 1 0 206.289 0.562 20 30 BCEDRO C#CC[N@H+]1C[C@H](NC(=O)CC)C(C)(C)C1 ZINC000972704298 711661830 /nfs/dbraw/zinc/66/18/30/711661830.db2.gz HVVZQLNBEAWXRE-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO CC[N@H+](CCOC)CCO[C@@H](C)C#N ZINC000393678304 711675181 /nfs/dbraw/zinc/67/51/81/711675181.db2.gz LXDGTNSCCAKLPG-JTQLQIEISA-N 1 0 200.282 0.883 20 30 BCEDRO CCNC(NC[C@](C)(O)C(C)C)=[NH+]CC ZINC000395738074 711697127 /nfs/dbraw/zinc/69/71/27/711697127.db2.gz RMYGLRBWZPNPPH-NSHDSACASA-N 1 0 215.341 0.968 20 30 BCEDRO C#CC[NH2+]CC(=O)Nc1ccc(=O)n(CC)c1 ZINC000092492654 711705892 /nfs/dbraw/zinc/70/58/92/711705892.db2.gz RZVIBTLLUUEONA-UHFFFAOYSA-N 1 0 233.271 0.030 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccccc1COC ZINC000092492635 711705966 /nfs/dbraw/zinc/70/59/66/711705966.db2.gz ZXPWLHLZORDVJD-UHFFFAOYSA-N 1 0 246.310 0.672 20 30 BCEDRO C=CC[C@H](CC)[NH2+]CCS(C)(=O)=O ZINC000393844462 711710191 /nfs/dbraw/zinc/71/01/91/711710191.db2.gz XNBCDVBCZKQMJV-VIFPVBQESA-N 1 0 205.323 0.975 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H]1COCC ZINC000313210437 711715411 /nfs/dbraw/zinc/71/54/11/711715411.db2.gz PHPJZJDFBFFDKE-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cnnn1C ZINC001027855680 711739530 /nfs/dbraw/zinc/73/95/30/711739530.db2.gz USDIHYKITSZQSN-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001027872254 711740189 /nfs/dbraw/zinc/74/01/89/711740189.db2.gz OBCMUMXAFNIMBZ-SNVBAGLBSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)c2ncc[nH]2)CC1 ZINC000981119907 711752706 /nfs/dbraw/zinc/75/27/06/711752706.db2.gz MKIXJXAXZWLYCJ-UHFFFAOYSA-N 1 0 246.314 0.581 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCOC3)[C@@H]2C1 ZINC001075600489 711755853 /nfs/dbraw/zinc/75/58/53/711755853.db2.gz WAAWFPLBFQDDNN-YNEHKIRRSA-N 1 0 248.326 0.189 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2nonc2C)C1 ZINC001029017761 711771226 /nfs/dbraw/zinc/77/12/26/711771226.db2.gz UISWVTXARXECQX-JTQLQIEISA-N 1 0 248.286 0.063 20 30 BCEDRO C=C(C)CN(C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897330658 711786128 /nfs/dbraw/zinc/78/61/28/711786128.db2.gz BGNUSEMELVFXPB-GFCCVEGCSA-N 1 0 238.331 0.742 20 30 BCEDRO C#Cc1ccc(C(=O)N2CCC[N@@H+](C)CC2)nc1 ZINC000728982519 711787705 /nfs/dbraw/zinc/78/77/05/711787705.db2.gz DJDIWGHKFBYMBV-UHFFFAOYSA-N 1 0 243.310 0.841 20 30 BCEDRO N#Cc1ccc(NCCN2CCC([NH3+])CC2)nc1 ZINC000721853765 711791428 /nfs/dbraw/zinc/79/14/28/711791428.db2.gz OSKGBKUEUMLWMV-UHFFFAOYSA-N 1 0 245.330 0.788 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc[nH]n2)C1 ZINC000988163424 711792846 /nfs/dbraw/zinc/79/28/46/711792846.db2.gz FINFBEPJWPGVGN-VHSXEESVSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cn(C)cn2)C1 ZINC000988621653 711796021 /nfs/dbraw/zinc/79/60/21/711796021.db2.gz LBIPTYCTQLJCNU-QWRGUYRKSA-N 1 0 246.314 0.246 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnnn2C)C1 ZINC000988768248 711796751 /nfs/dbraw/zinc/79/67/51/711796751.db2.gz XBCQMZPRAMHGKA-NXEZZACHSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ncn(C)n2)C1 ZINC000988786568 711797159 /nfs/dbraw/zinc/79/71/59/711797159.db2.gz RKJLHENGYUDRMV-VHSXEESVSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ncn(C)n2)C1 ZINC000988786570 711797180 /nfs/dbraw/zinc/79/71/80/711797180.db2.gz RKJLHENGYUDRMV-ZJUUUORDSA-N 1 0 249.318 0.194 20 30 BCEDRO CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C#CC2CC2)C1 ZINC000988810316 711797264 /nfs/dbraw/zinc/79/72/64/711797264.db2.gz GSWQIVQVRFQXAN-PWSUYJOCSA-N 1 0 220.316 0.999 20 30 BCEDRO CC#CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038119353 711801330 /nfs/dbraw/zinc/80/13/30/711801330.db2.gz VVDGMGNQHBTILJ-QWHCGFSZSA-N 1 0 249.358 0.294 20 30 BCEDRO CS(=O)(=O)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000379577350 711803733 /nfs/dbraw/zinc/80/37/33/711803733.db2.gz QLIVDKKUQTWNKM-BDAKNGLRSA-N 1 0 216.306 0.313 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CC34CC4)[C@@H]2C1 ZINC001076287216 711804762 /nfs/dbraw/zinc/80/47/62/711804762.db2.gz JSYGYGBMQHFCFN-YNEHKIRRSA-N 1 0 244.338 0.952 20 30 BCEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 ZINC001076690410 711808077 /nfs/dbraw/zinc/80/80/77/711808077.db2.gz BMKRCJFZPCXQST-CHWSQXEVSA-N 1 0 246.310 0.648 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001076753250 711808465 /nfs/dbraw/zinc/80/84/65/711808465.db2.gz FUHBFFOTQWUXBZ-GHMZBOCLSA-N 1 0 226.320 0.380 20 30 BCEDRO C#CCCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000161187261 711810942 /nfs/dbraw/zinc/81/09/42/711810942.db2.gz DHJZYUNJPSDDAJ-SECBINFHSA-N 1 0 203.307 0.423 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1C[NH2+]CC1(C)C ZINC000721887303 711811351 /nfs/dbraw/zinc/81/13/51/711811351.db2.gz IMEACJADPXINKT-VIFPVBQESA-N 1 0 232.349 0.480 20 30 BCEDRO C=CCCC(=O)N1CCN[C@H](c2cnn(C)c2)C1 ZINC000913470632 711822700 /nfs/dbraw/zinc/82/27/00/711822700.db2.gz WXFITGICCOHXDS-LBPRGKRZSA-N 1 0 248.330 0.859 20 30 BCEDRO Cc1cc(F)ncc1C(=O)NCC#CC[NH+](C)C ZINC000913525285 711823316 /nfs/dbraw/zinc/82/33/16/711823316.db2.gz QKLGZRKSRUPIAG-UHFFFAOYSA-N 1 0 249.289 0.824 20 30 BCEDRO CCO[C@H]1[C@H](C(=O)NCC#CC[NH+](C)C)[C@@H]1C ZINC000913524441 711823374 /nfs/dbraw/zinc/82/33/74/711823374.db2.gz MQDIUNWXBGXTRC-QJPTWQEYSA-N 1 0 238.331 0.339 20 30 BCEDRO CC(=O)CCCC(=O)NCC#CC[NH+](C)C ZINC000913515739 711823739 /nfs/dbraw/zinc/82/37/39/711823739.db2.gz LDWXWFUSURHHAV-UHFFFAOYSA-N 1 0 224.304 0.427 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccc(F)cn1 ZINC000913520995 711823898 /nfs/dbraw/zinc/82/38/98/711823898.db2.gz HJUWNFRQSLNLDR-UHFFFAOYSA-N 1 0 235.262 0.516 20 30 BCEDRO CC(C)[C@@H]1C[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913521092 711823945 /nfs/dbraw/zinc/82/39/45/711823945.db2.gz KPKROJNBTXQKSL-NWDGAFQWSA-N 1 0 222.332 0.960 20 30 BCEDRO CO[C@@](C)(C(=O)NCC#CC[NH+](C)C)C1CC1 ZINC000913522333 711824169 /nfs/dbraw/zinc/82/41/69/711824169.db2.gz FFMWUCSHMXLXCT-CYBMUJFWSA-N 1 0 238.331 0.483 20 30 BCEDRO C#C[C@H](C)[NH2+][C@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000166711549 711827403 /nfs/dbraw/zinc/82/74/03/711827403.db2.gz LIPSKFPBBOCPSO-DCAQKATOSA-N 1 0 229.345 0.954 20 30 BCEDRO C=C(Cl)CNC(=O)CC[NH2+]C1CC1 ZINC000167947785 711831173 /nfs/dbraw/zinc/83/11/73/711831173.db2.gz YRMJDSGURFKLPL-UHFFFAOYSA-N 1 0 202.685 0.997 20 30 BCEDRO C#CCOc1ccccc1C[NH2+][C@H](CO)COC ZINC000229072758 711837295 /nfs/dbraw/zinc/83/72/95/711837295.db2.gz NPZFTKAXJJPGBX-CYBMUJFWSA-N 1 0 249.310 0.796 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCC(C)(C)C ZINC000170911018 711837876 /nfs/dbraw/zinc/83/78/76/711837876.db2.gz VPYUJAFMAGCJDQ-MRVPVSSYSA-N 1 0 201.314 0.972 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2ccnc2)C[C@H]1C ZINC000939857412 711893554 /nfs/dbraw/zinc/89/35/54/711893554.db2.gz SILDBCPXNNXYJF-VXGBXAGGSA-N 1 0 248.330 0.506 20 30 BCEDRO C=C(Br)C[NH2+]C[C@@H](O)COC ZINC000070590308 711895856 /nfs/dbraw/zinc/89/58/56/711895856.db2.gz XWZLZVCARFXTSI-SSDOTTSWSA-N 1 0 224.098 0.492 20 30 BCEDRO C#CC[N@H+]1CC[C@]2(CCN(C(C)=O)C2)C1 ZINC001040966084 711901691 /nfs/dbraw/zinc/90/16/91/711901691.db2.gz QQZYFPXITSPGMJ-LBPRGKRZSA-N 1 0 206.289 0.564 20 30 BCEDRO C#CCC[N@H+]1CC[C@]2(CCN(C(C)=O)C2)C1 ZINC001040967121 711902155 /nfs/dbraw/zinc/90/21/55/711902155.db2.gz YLOIACFHGWCYOD-ZDUSSCGKSA-N 1 0 220.316 0.954 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC001032924151 711967980 /nfs/dbraw/zinc/96/79/80/711967980.db2.gz JNKHKSBARDRRGN-JTQLQIEISA-N 1 0 234.303 0.742 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001032926671 711968474 /nfs/dbraw/zinc/96/84/74/711968474.db2.gz VCDHISZQNRUBRM-LLVKDONJSA-N 1 0 234.303 0.742 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)C2=COCCC2)C1 ZINC001032939736 711968508 /nfs/dbraw/zinc/96/85/08/711968508.db2.gz FQXRXCVTTCCGOJ-ZDUSSCGKSA-N 1 0 248.326 0.847 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccnn2C)C1 ZINC001032946038 711968938 /nfs/dbraw/zinc/96/89/38/711968938.db2.gz SXPFUGCKPKLETI-LLVKDONJSA-N 1 0 248.330 0.752 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001032944261 711968988 /nfs/dbraw/zinc/96/89/88/711968988.db2.gz WOUCXJJZPJRIBS-RYUDHWBXSA-N 1 0 238.331 0.742 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)C2=CCOCC2)C1 ZINC001033035384 711971501 /nfs/dbraw/zinc/97/15/01/711971501.db2.gz FOESGUSUQFPFPR-CYBMUJFWSA-N 1 0 248.326 0.499 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cncnc2)C1 ZINC001033034197 711971586 /nfs/dbraw/zinc/97/15/86/711971586.db2.gz VTVIFBXXLKUFFV-LBPRGKRZSA-N 1 0 246.314 0.809 20 30 BCEDRO CC(C)(C#N)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000700543237 711996847 /nfs/dbraw/zinc/99/68/47/711996847.db2.gz HYJFWEVCKCFOOL-UHFFFAOYSA-N 1 0 221.304 0.843 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033512640 711997987 /nfs/dbraw/zinc/99/79/87/711997987.db2.gz IJRCVCVDTKJOSW-SNVBAGLBSA-N 1 0 249.318 0.527 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cnon2)C1 ZINC001033520236 711998794 /nfs/dbraw/zinc/99/87/94/711998794.db2.gz CJRFEYGIJJPZCF-JTQLQIEISA-N 1 0 248.286 0.239 20 30 BCEDRO CC#CC[N@H+]1CC[C@H](N(CC)C(C)=O)C1 ZINC001033722938 712014358 /nfs/dbraw/zinc/01/43/58/712014358.db2.gz NETGXIDHQRXRIN-LBPRGKRZSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCN1CC[C@@H](N(CC)C(=O)c2ncc[nH]2)C1 ZINC001033832741 712022656 /nfs/dbraw/zinc/02/26/56/712022656.db2.gz RZHXAYSWNHBDSA-LLVKDONJSA-N 1 0 246.314 0.579 20 30 BCEDRO CC(C)(C#N)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702294665 712042989 /nfs/dbraw/zinc/04/29/89/712042989.db2.gz CXUPWIAVLWLSAM-JTQLQIEISA-N 1 0 221.304 0.843 20 30 BCEDRO CCNC(NC[C@@]1(O)CCSC1)=[NH+]CC ZINC000702224796 712043303 /nfs/dbraw/zinc/04/33/03/712043303.db2.gz SNOGDCGXQYXOMT-JTQLQIEISA-N 1 0 231.365 0.429 20 30 BCEDRO CCNC(NCCC1CC(O)C1)=[NH+]CC ZINC000702456766 712053714 /nfs/dbraw/zinc/05/37/14/712053714.db2.gz JUHGYRYWZWLGMV-UHFFFAOYSA-N 1 0 213.325 0.722 20 30 BCEDRO CCNC(NCCOCCF)=[NH+]CC ZINC000702645437 712057843 /nfs/dbraw/zinc/05/78/43/712057843.db2.gz QUZBPCDUPLUWCM-UHFFFAOYSA-N 1 0 205.277 0.548 20 30 BCEDRO C=CCC[N@H+]1CCCC[C@H](NC(=O)C(N)=O)C1 ZINC001034371782 712061672 /nfs/dbraw/zinc/06/16/72/712061672.db2.gz FPHPYXWBKLYYLF-JTQLQIEISA-N 1 0 239.319 0.019 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(c1cnc(C#N)cn1)C2 ZINC000703538709 712077865 /nfs/dbraw/zinc/07/78/65/712077865.db2.gz RAGGELXOSHJZOB-JOYOIKCWSA-N 1 0 229.287 0.394 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCOC)C1 ZINC000703629419 712081059 /nfs/dbraw/zinc/08/10/59/712081059.db2.gz FHZUQPOXHFBZLJ-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)[C@@H]([NH3+])CCOC)C1 ZINC000703629420 712081359 /nfs/dbraw/zinc/08/13/59/712081359.db2.gz FHZUQPOXHFBZLJ-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CC[C@@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000703700211 712084290 /nfs/dbraw/zinc/08/42/90/712084290.db2.gz BYPOBNFWRNGTJS-NEPJUHHUSA-N 1 0 239.363 0.690 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1C[NH2+]CCOC1 ZINC000703945599 712092981 /nfs/dbraw/zinc/09/29/81/712092981.db2.gz WNRVFYLTEMXWMW-MRVPVSSYSA-N 1 0 218.684 0.091 20 30 BCEDRO N#Cc1ccc(CC(=O)N[C@H](C[NH3+])C2CC2)cc1 ZINC000704665161 712112535 /nfs/dbraw/zinc/11/25/35/712112535.db2.gz KSZCSEHBOSLASM-CYBMUJFWSA-N 1 0 243.310 0.954 20 30 BCEDRO N#Cc1ccc(CC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000704664571 712112959 /nfs/dbraw/zinc/11/29/59/712112959.db2.gz HORSQEPULCUYMK-GFCCVEGCSA-N 1 0 229.283 0.579 20 30 BCEDRO CCNC(NC[C@](C)(O)C(F)(F)F)=[NH+]CC ZINC000705179352 712125525 /nfs/dbraw/zinc/12/55/25/712125525.db2.gz CNACSABQEOHJIL-QMMMGPOBSA-N 1 0 241.257 0.875 20 30 BCEDRO C#CC[NH+]1CC2(C1)CCN(C(C)=O)CC2 ZINC001035625090 712137759 /nfs/dbraw/zinc/13/77/59/712137759.db2.gz MWYMZZPHBJLCBQ-UHFFFAOYSA-N 1 0 206.289 0.564 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(C=C)CC1 ZINC000706500713 712148273 /nfs/dbraw/zinc/14/82/73/712148273.db2.gz JAFIJLWOIFAVTP-UHFFFAOYSA-N 1 0 206.289 0.634 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)C[C@@H]1C ZINC001035935681 712150415 /nfs/dbraw/zinc/15/04/15/712150415.db2.gz RNQWRIDPHGRJEX-WDEREUQCSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C ZINC001035931630 712150475 /nfs/dbraw/zinc/15/04/75/712150475.db2.gz ANCOQHRMVNMVIN-PWSUYJOCSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccon2)C[C@@H]1C ZINC001035930708 712150569 /nfs/dbraw/zinc/15/05/69/712150569.db2.gz VQVPEHKZCLFOLV-WDEREUQCSA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)C[C@H]1C ZINC001035935678 712150600 /nfs/dbraw/zinc/15/06/00/712150600.db2.gz RNQWRIDPHGRJEX-GHMZBOCLSA-N 1 0 246.314 0.483 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)CCC[NH2+]C ZINC000707287311 712168847 /nfs/dbraw/zinc/16/88/47/712168847.db2.gz OCBJXOQUSWQBEP-UHFFFAOYSA-N 1 0 242.319 0.564 20 30 BCEDRO CC(C)(C#N)CCC[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000707818585 712179204 /nfs/dbraw/zinc/17/92/04/712179204.db2.gz JSZOCNGZBRIYRK-TXEJJXNPSA-N 1 0 240.347 0.849 20 30 BCEDRO C#CC1(O)CC[NH+](CCOCCOC)CC1 ZINC000708114564 712181682 /nfs/dbraw/zinc/18/16/82/712181682.db2.gz BUMCLUAIGTWMOY-UHFFFAOYSA-N 1 0 227.304 0.110 20 30 BCEDRO C#CC1(O)CC[NH+](CCCCCCO)CC1 ZINC000708118295 712182535 /nfs/dbraw/zinc/18/25/35/712182535.db2.gz ZFEOCOWZJVDFSU-UHFFFAOYSA-N 1 0 225.332 0.999 20 30 BCEDRO C#CC1(O)CC[NH+](CCCn2ccnc2)CC1 ZINC000708134564 712182578 /nfs/dbraw/zinc/18/25/78/712182578.db2.gz RCUNYTJQJKAZFU-UHFFFAOYSA-N 1 0 233.315 0.733 20 30 BCEDRO C[C@H](O)[C@@H]1CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000708422529 712194394 /nfs/dbraw/zinc/19/43/94/712194394.db2.gz GPVZATZANICCME-WDEREUQCSA-N 1 0 239.319 0.109 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2CN(C(=O)COC)CC[C@@H]21 ZINC001036607145 712199886 /nfs/dbraw/zinc/19/98/86/712199886.db2.gz SBLOGEQGADVWTJ-RYUDHWBXSA-N 1 0 236.315 0.189 20 30 BCEDRO C=C(Cl)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000708552121 712213008 /nfs/dbraw/zinc/21/30/08/712213008.db2.gz ZDPMZEOOMDZQHO-JTQLQIEISA-N 1 0 218.728 0.785 20 30 BCEDRO C[NH+](C)C1(C)CCN(C(=O)CC#N)CC1 ZINC000709897007 712231139 /nfs/dbraw/zinc/23/11/39/712231139.db2.gz KNLWHFWUDAPOQU-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO C#CCCCS(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000710049876 712243438 /nfs/dbraw/zinc/24/34/38/712243438.db2.gz KEXLPADSNXZHGG-JTQLQIEISA-N 1 0 232.349 0.269 20 30 BCEDRO C#CCCCS(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000710157675 712246141 /nfs/dbraw/zinc/24/61/41/712246141.db2.gz WTAOUZKCSANTDO-UHFFFAOYSA-N 1 0 244.360 0.412 20 30 BCEDRO C#CCCCS(=O)(=O)N[C@H]1CCCN(C)C1 ZINC000710204942 712248517 /nfs/dbraw/zinc/24/85/17/712248517.db2.gz NBMDMXCFAFERQD-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000710883946 712261151 /nfs/dbraw/zinc/26/11/51/712261151.db2.gz YZXAWECPSISMKQ-DTORHVGOSA-N 1 0 218.322 0.219 20 30 BCEDRO C#CCCS(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000711106533 712281060 /nfs/dbraw/zinc/28/10/60/712281060.db2.gz DKNRAXLJPLPWRJ-UHFFFAOYSA-N 1 0 232.349 0.269 20 30 BCEDRO C#CCCS(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000711108441 712281253 /nfs/dbraw/zinc/28/12/53/712281253.db2.gz WSDSDKCYEHUSCB-SNVBAGLBSA-N 1 0 232.349 0.269 20 30 BCEDRO C[C@@H](C(N)=O)N(C)CCOc1cccc(C#N)c1 ZINC000711157232 712286764 /nfs/dbraw/zinc/28/67/64/712286764.db2.gz FZVQPIBJDXWGFN-JTQLQIEISA-N 1 0 247.298 0.743 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711304407 712293570 /nfs/dbraw/zinc/29/35/70/712293570.db2.gz TVMWQDPGXCFERV-LLVKDONJSA-N 1 0 240.347 0.941 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000712263492 712344782 /nfs/dbraw/zinc/34/47/82/712344782.db2.gz FHVDRUMKJXCLRA-GRYCIOLGSA-N 1 0 211.305 0.892 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cocn2)C1 ZINC001079491229 712348828 /nfs/dbraw/zinc/34/88/28/712348828.db2.gz YYMPTSVSFZLCOJ-GHMZBOCLSA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccon2)C1 ZINC001079500944 712348861 /nfs/dbraw/zinc/34/88/61/712348861.db2.gz QETQVRLZXKPHKC-ZYHUDNBSSA-N 1 0 247.298 0.287 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001079443101 712348907 /nfs/dbraw/zinc/34/89/07/712348907.db2.gz PXQDLGPDDBVUHG-MWLCHTKSSA-N 1 0 232.287 0.093 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001080975629 712353653 /nfs/dbraw/zinc/35/36/53/712353653.db2.gz RWJBYDVKRKPASP-DGCLKSJQSA-N 1 0 245.326 0.627 20 30 BCEDRO C=CCOCC[NH2+]C1(C(=O)NC)CCCC1 ZINC000378688002 712357659 /nfs/dbraw/zinc/35/76/59/712357659.db2.gz GIBOPRYBUWRQSU-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO CC(C)[C@@H](CO)[NH2+]CCO[C@@H](C)C#N ZINC000379482754 712385657 /nfs/dbraw/zinc/38/56/57/712385657.db2.gz CYLDLZAYXWMKAW-VHSXEESVSA-N 1 0 200.282 0.522 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@H]1C ZINC000379648038 712391315 /nfs/dbraw/zinc/39/13/15/712391315.db2.gz BIRYVOCIIQNGAJ-NXEZZACHSA-N 1 0 217.334 0.975 20 30 BCEDRO Cc1ccc(C=NNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000764907309 712412496 /nfs/dbraw/zinc/41/24/96/712412496.db2.gz IIGZJNUDBKJYJC-SECBINFHSA-N 1 0 217.276 0.661 20 30 BCEDRO CN1CC[C@@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000712557784 712445125 /nfs/dbraw/zinc/44/51/25/712445125.db2.gz NSYORKOVWGRGTB-SECBINFHSA-N 1 0 222.317 0.808 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNc1ccnc(C#N)c1 ZINC000712565583 712446695 /nfs/dbraw/zinc/44/66/95/712446695.db2.gz RBEGUKZZTAKRFC-GFCCVEGCSA-N 1 0 216.288 0.881 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNc1nccnc1C#N ZINC000712571677 712447454 /nfs/dbraw/zinc/44/74/54/712447454.db2.gz YKRHHLSKBTXCPE-VIFPVBQESA-N 1 0 217.276 0.854 20 30 BCEDRO CNC(N[C@@H]1C[C@H](OC)C12CCC2)=[NH+]C ZINC000713122974 712453298 /nfs/dbraw/zinc/45/32/98/712453298.db2.gz PYGNCXXEBXPIFW-BDAKNGLRSA-N 1 0 211.309 0.739 20 30 BCEDRO C=C[C@@H](C)NC(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715154732 712512861 /nfs/dbraw/zinc/51/28/61/712512861.db2.gz XACDYWRKPYKIGZ-VQVTYTSYSA-N 1 0 204.220 0.517 20 30 BCEDRO C=CC[C@@H](C)[N@H+]1CCO[C@@H](C(=O)OC)C1 ZINC000715742616 712531094 /nfs/dbraw/zinc/53/10/94/712531094.db2.gz ZAKLVFWDFPKVCQ-NXEZZACHSA-N 1 0 213.277 0.825 20 30 BCEDRO C#CC1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000715767847 712532546 /nfs/dbraw/zinc/53/25/46/712532546.db2.gz GIWKQMJQUHZWCX-UHFFFAOYSA-N 1 0 232.327 0.954 20 30 BCEDRO N#CCC1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000715840823 712532934 /nfs/dbraw/zinc/53/29/34/712532934.db2.gz CTWRTMVRRZSLGJ-UHFFFAOYSA-N 1 0 233.315 0.892 20 30 BCEDRO C[C@@H](Nc1ccnc(C#N)n1)C1CC[NH2+]CC1 ZINC000716551466 712563266 /nfs/dbraw/zinc/56/32/66/712563266.db2.gz CLIIYGIBYBAGHU-SECBINFHSA-N 1 0 231.303 0.570 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]CC1=CCCOC1 ZINC000716817546 712576455 /nfs/dbraw/zinc/57/64/55/712576455.db2.gz FORJMBCNDZDNQD-LBPRGKRZSA-N 1 0 209.289 0.961 20 30 BCEDRO C#CC[C@@H](COC)NCc1ccn(C)n1 ZINC000716821812 712576935 /nfs/dbraw/zinc/57/69/35/712576935.db2.gz PNIIYXVCSOSLTO-NSHDSACASA-N 1 0 207.277 0.548 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716830738 712577192 /nfs/dbraw/zinc/57/71/92/712577192.db2.gz YFDJZPHDVUEZCL-KPPDAEKUSA-N 1 0 245.344 0.190 20 30 BCEDRO CON=CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000809549350 712584436 /nfs/dbraw/zinc/58/44/36/712584436.db2.gz VTRSPVFSELBXPL-UHFFFAOYSA-N 1 0 248.286 0.362 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000716935723 712597475 /nfs/dbraw/zinc/59/74/75/712597475.db2.gz QBDOPFKHWXIBRH-MNOVXSKESA-N 1 0 245.344 0.192 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)CC(F)(F)F ZINC000717854981 712600874 /nfs/dbraw/zinc/60/08/74/712600874.db2.gz YPOLGWIPOHPKSQ-DTWKUNHWSA-N 1 0 239.237 0.664 20 30 BCEDRO Cc1csc(CCNC2=[NH+]C[C@@H](C)N2)n1 ZINC000379832171 712615383 /nfs/dbraw/zinc/61/53/83/712615383.db2.gz YLTDYMSRKFEALH-SSDOTTSWSA-N 1 0 224.333 0.931 20 30 BCEDRO C=CC[C@@H](NC(=O)[C@H](C[NH3+])OC)c1ccncc1 ZINC000884219301 712644167 /nfs/dbraw/zinc/64/41/67/712644167.db2.gz LQZFYDLXGOSUTM-NEPJUHHUSA-N 1 0 249.314 0.789 20 30 BCEDRO C=CC[C@H](NC(=O)[C@H](C[NH3+])OC)c1ccncc1 ZINC000884219302 712644231 /nfs/dbraw/zinc/64/42/31/712644231.db2.gz LQZFYDLXGOSUTM-RYUDHWBXSA-N 1 0 249.314 0.789 20 30 BCEDRO C[C@@H](O)[C@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000717281653 712644623 /nfs/dbraw/zinc/64/46/23/712644623.db2.gz SWFNYDNAWYOILO-NXEZZACHSA-N 1 0 214.309 0.648 20 30 BCEDRO C[C@@H](O)[C@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000717377384 712652396 /nfs/dbraw/zinc/65/23/96/712652396.db2.gz USZJGJGNJHVQCS-OPQQBVKSSA-N 1 0 234.299 0.951 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000886355213 712654837 /nfs/dbraw/zinc/65/48/37/712654837.db2.gz DWAFFLHNQMPVKQ-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000717569484 712661088 /nfs/dbraw/zinc/66/10/88/712661088.db2.gz CFPQWFDSWFLJHX-BBBLOLIVSA-N 1 0 212.293 0.180 20 30 BCEDRO Cn1ncc2c1ncnc2NCC#CC[NH+](C)C ZINC000717627228 712661718 /nfs/dbraw/zinc/66/17/18/712661718.db2.gz PJZIQUXKASBFEF-UHFFFAOYSA-N 1 0 244.302 0.340 20 30 BCEDRO C[NH+](C)CC#CCNc1ncccc1[N+](=O)[O-] ZINC000717606625 712662578 /nfs/dbraw/zinc/66/25/78/712662578.db2.gz PPFFPKSJRMEHRV-UHFFFAOYSA-N 1 0 234.259 0.967 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cccnc1C ZINC000717708647 712664363 /nfs/dbraw/zinc/66/43/63/712664363.db2.gz FBJPGXCVNSPZQM-GFCCVEGCSA-N 1 0 204.273 0.864 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000717748336 712668931 /nfs/dbraw/zinc/66/89/31/712668931.db2.gz ILRDAJLJHYPCHQ-SFYZADRCSA-N 1 0 225.210 0.274 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CO[C@H](CC)C1 ZINC000717763896 712674235 /nfs/dbraw/zinc/67/42/35/712674235.db2.gz YUSHZSSNKRYEGS-IJLUTSLNSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1ccccn1 ZINC000717785072 712676155 /nfs/dbraw/zinc/67/61/55/712676155.db2.gz APWXPOSERUVBJY-GFCCVEGCSA-N 1 0 204.273 0.946 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c(C)nn(C)c1C ZINC000717813040 712680847 /nfs/dbraw/zinc/68/08/47/712680847.db2.gz GHIPBZWRQJYGFX-NSHDSACASA-N 1 0 221.304 0.511 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384890265 712704201 /nfs/dbraw/zinc/70/42/01/712704201.db2.gz LJURYUJWWOZSCM-ZRUFSTJUSA-N 1 0 224.304 0.206 20 30 BCEDRO COC[C@H](C)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000195523288 712730535 /nfs/dbraw/zinc/73/05/35/712730535.db2.gz MPQPMBMFOSHXRX-ZJUUUORDSA-N 1 0 229.324 0.352 20 30 BCEDRO CCNC(NCC(=O)N1CCCCC1)=[NH+]CC ZINC000195522450 712730542 /nfs/dbraw/zinc/73/05/42/712730542.db2.gz JSRSOOOWAXDJPB-UHFFFAOYSA-N 1 0 240.351 0.574 20 30 BCEDRO CCCCOCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000195522662 712730595 /nfs/dbraw/zinc/73/05/95/712730595.db2.gz OSNULVBKQRSLTQ-NSHDSACASA-N 1 0 243.351 0.886 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)COC(C)C ZINC000717897113 712731876 /nfs/dbraw/zinc/73/18/76/712731876.db2.gz AOIYKCBQTNZVAA-NEPJUHHUSA-N 1 0 229.320 0.136 20 30 BCEDRO COC(=O)c1cncnc1NCC#CC[NH+](C)C ZINC000717948975 712734628 /nfs/dbraw/zinc/73/46/28/712734628.db2.gz AYQVCISZMYZNCI-UHFFFAOYSA-N 1 0 248.286 0.240 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000718986926 712792378 /nfs/dbraw/zinc/79/23/78/712792378.db2.gz GIKAMLXAUGSKEO-GHMZBOCLSA-N 1 0 240.303 0.610 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1c(C[NH3+])cnn1C ZINC000719244230 712801464 /nfs/dbraw/zinc/80/14/64/712801464.db2.gz KYGIIVAPXIZUGC-SSDOTTSWSA-N 1 0 208.265 0.183 20 30 BCEDRO C[C@H]1[C@H](Nc2nccnc2C#N)CC[N@@H+]1C ZINC000719604453 712815935 /nfs/dbraw/zinc/81/59/35/712815935.db2.gz VSWNNPNBXVKNOV-DTWKUNHWSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@@H]1[C@@H](Nc2cncc(C#N)n2)CC[N@@H+]1C ZINC000719772576 712823879 /nfs/dbraw/zinc/82/38/79/712823879.db2.gz BFCSWEOYGBOIDQ-SCZZXKLOSA-N 1 0 217.276 0.853 20 30 BCEDRO COC(C)(C)[C@H](C)[NH2+]CC(=O)NCCC#N ZINC000720251809 712829854 /nfs/dbraw/zinc/82/98/54/712829854.db2.gz WOVATHALIFHLSL-VIFPVBQESA-N 1 0 227.308 0.419 20 30 BCEDRO C#CC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720459712 712844491 /nfs/dbraw/zinc/84/44/91/712844491.db2.gz UMEQFPZYMFEYEH-VHSXEESVSA-N 1 0 224.329 0.316 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H](CCO)C1CC1 ZINC000380258995 712849006 /nfs/dbraw/zinc/84/90/06/712849006.db2.gz QZGJCNLPSAKWIM-KOLCDFICSA-N 1 0 212.293 0.666 20 30 BCEDRO N#Cc1cccnc1N1CCN2CC[NH2+]C[C@@H]2C1 ZINC001164393923 718829187 /nfs/dbraw/zinc/82/91/87/718829187.db2.gz XFWRLDOTHDECOZ-GFCCVEGCSA-N 1 0 243.314 0.047 20 30 BCEDRO C=CCNC(=O)CN(C)CC[N@H+](C)C1CC1 ZINC000186763443 136207885 /nfs/dbraw/zinc/20/78/85/136207885.db2.gz IWBYCEGCXXRUJI-UHFFFAOYSA-N 1 0 225.336 0.315 20 30 BCEDRO C[C@H](CC#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC000602085444 349433662 /nfs/dbraw/zinc/43/36/62/349433662.db2.gz MVMNLPTUWVGJPV-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC[C@@H](C#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC000602087123 349434156 /nfs/dbraw/zinc/43/41/56/349434156.db2.gz AKOWCXYBPYZBQZ-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C[N@H+](CC(=O)N(CC#N)CC#N)CC(C)(C)C ZINC000602086760 349434500 /nfs/dbraw/zinc/43/45/00/349434500.db2.gz RXKVALDTPAPSAT-UHFFFAOYSA-N 1 0 236.319 0.840 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000602095340 349448264 /nfs/dbraw/zinc/44/82/64/349448264.db2.gz ATPBPHFDBHVSKQ-VIFPVBQESA-N 1 0 209.293 0.604 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@](F)(C#N)C1 ZINC000602143256 349451882 /nfs/dbraw/zinc/45/18/82/349451882.db2.gz RWUCEDKDBUPXSY-JQWIXIFHSA-N 1 0 239.294 0.935 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@](F)(C#N)C2)C1 ZINC000602145089 349452626 /nfs/dbraw/zinc/45/26/26/349452626.db2.gz XHTCZYPNKOKCAP-PWSUYJOCSA-N 1 0 239.294 0.792 20 30 BCEDRO C[NH+](C)CC1(C(=O)N2CC(C#N)C2)CC1 ZINC000602155658 349463745 /nfs/dbraw/zinc/46/37/45/349463745.db2.gz PGUMVXNSUYPVEJ-UHFFFAOYSA-N 1 0 207.277 0.310 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)C(=O)OC ZINC000602197147 349473227 /nfs/dbraw/zinc/47/32/27/349473227.db2.gz ULKQRESVONXMFR-NXEZZACHSA-N 1 0 242.319 0.561 20 30 BCEDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1cccc(C#N)n1 ZINC000602682078 398147072 /nfs/dbraw/zinc/14/70/72/398147072.db2.gz QQXMCEXEYHDHSB-BXKDBHETSA-N 1 0 217.272 0.908 20 30 BCEDRO N#Cc1ncn(CC[C@H]2CCC[NH2+]C2)n1 ZINC000061842219 187323136 /nfs/dbraw/zinc/32/31/36/187323136.db2.gz RATGHXTVPIRWDX-SECBINFHSA-N 1 0 205.265 0.539 20 30 BCEDRO C=CCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000103246765 136214692 /nfs/dbraw/zinc/21/46/92/136214692.db2.gz PPLPHAGRTXLTRL-UHFFFAOYSA-N 1 0 211.309 0.910 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)Cn1cccn1)C1CC1 ZINC000274155860 398150371 /nfs/dbraw/zinc/15/03/71/398150371.db2.gz LNLCUGNANUMQNT-GFCCVEGCSA-N 1 0 219.288 0.342 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000649336387 398153255 /nfs/dbraw/zinc/15/32/55/398153255.db2.gz VUYALKIXIFOISR-GHMZBOCLSA-N 1 0 226.320 0.511 20 30 BCEDRO Cc1cc(C[NH2+]C[C@@H](O)CO)ccc1C#N ZINC000336736126 178022879 /nfs/dbraw/zinc/02/28/79/178022879.db2.gz MISUDCOTDZWSFY-GFCCVEGCSA-N 1 0 220.272 0.310 20 30 BCEDRO Cn1cc(C[NH2+]CCN2CCOCC2)cc1C#N ZINC000232313812 398170646 /nfs/dbraw/zinc/17/06/46/398170646.db2.gz SPZQRWKUMABADS-UHFFFAOYSA-N 1 0 248.330 0.319 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000334192764 136215758 /nfs/dbraw/zinc/21/57/58/136215758.db2.gz JPNYMGVUBZZTBA-MWLCHTKSSA-N 1 0 221.304 0.699 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)C[NH2+]C ZINC000424205065 398175671 /nfs/dbraw/zinc/17/56/71/398175671.db2.gz FRYMXIKRAMGLMM-VWYCJHECSA-N 1 0 226.320 0.549 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C[NH3+])OC ZINC000424206644 398176734 /nfs/dbraw/zinc/17/67/34/398176734.db2.gz HTGMUQBMATUZDN-DCAQKATOSA-N 1 0 242.319 0.058 20 30 BCEDRO C=CCn1cc(CNC(=O)C[C@H]2CCC[NH2+]2)nn1 ZINC000424206597 398176753 /nfs/dbraw/zinc/17/67/53/398176753.db2.gz HNLTZUNQLKKMOF-SNVBAGLBSA-N 1 0 249.318 0.222 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@]2(C)CC[NH2+]C2)nn1 ZINC000424207623 398177310 /nfs/dbraw/zinc/17/73/10/398177310.db2.gz JALYLUFQHPHBQM-LBPRGKRZSA-N 1 0 249.318 0.080 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[NH2+]CC1CC1 ZINC000424207633 398177604 /nfs/dbraw/zinc/17/76/04/398177604.db2.gz JCETXRJHVDIYIL-RYUDHWBXSA-N 1 0 238.331 0.693 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H](CC)COC)nn1 ZINC000424290076 398179295 /nfs/dbraw/zinc/17/92/95/398179295.db2.gz BBRLLHDYPITKME-SNVBAGLBSA-N 1 0 224.308 0.979 20 30 BCEDRO CC#CC[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000339755835 398164489 /nfs/dbraw/zinc/16/44/89/398164489.db2.gz ZDECSDTWIFQAAH-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO N#C[C@@H]1CCC[C@H]1[NH2+]CCN1CCCC1=O ZINC000309492961 136218702 /nfs/dbraw/zinc/21/87/02/136218702.db2.gz JHCOUXMMAPBWDO-WDEREUQCSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@@H](C)C[NH2+]C ZINC000418353537 192027121 /nfs/dbraw/zinc/02/71/21/192027121.db2.gz DBFAQKGDPAUTFG-WDEREUQCSA-N 1 0 243.351 0.326 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H]2CCOC2(C)C)C1=O ZINC000451241068 398198876 /nfs/dbraw/zinc/19/88/76/398198876.db2.gz JRLSKJNYPKFTER-MNOVXSKESA-N 1 0 238.331 0.930 20 30 BCEDRO C#CCN1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000182117252 136218710 /nfs/dbraw/zinc/21/87/10/136218710.db2.gz ZFYGWGXNTBSMIV-NSHDSACASA-N 1 0 224.304 0.189 20 30 BCEDRO C=C(C)CCNC(=O)[C@@H]1C[C@H](OC)C[N@H+]1C ZINC000452721401 488171741 /nfs/dbraw/zinc/17/17/41/488171741.db2.gz ZWZLHFDUXZKIBH-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C(C)CN(CC)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418388001 192031863 /nfs/dbraw/zinc/03/18/63/192031863.db2.gz RSDKKKVSDJFQSH-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418405372 192033772 /nfs/dbraw/zinc/03/37/72/192033772.db2.gz KZLVZXMMBKAHOX-NXEZZACHSA-N 1 0 229.324 0.206 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418407849 192033969 /nfs/dbraw/zinc/03/39/69/192033969.db2.gz MDXRBRXBJVBOSK-GMTAPVOTSA-N 1 0 241.335 0.350 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](O)Cn1cccn1 ZINC000387474470 398233931 /nfs/dbraw/zinc/23/39/31/398233931.db2.gz UIQGKQFHDSTRAO-NSHDSACASA-N 1 0 209.293 0.800 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418447084 192036412 /nfs/dbraw/zinc/03/64/12/192036412.db2.gz BSWIFPYKGPROCC-GXSJLCMTSA-N 1 0 241.335 0.208 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000575245053 398238509 /nfs/dbraw/zinc/23/85/09/398238509.db2.gz LAHLRSAIXIDBSK-QWRGUYRKSA-N 1 0 242.319 0.072 20 30 BCEDRO C[NH2+][C@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000602421050 349528596 /nfs/dbraw/zinc/52/85/96/349528596.db2.gz IPNLATSHGKSDSE-JTQLQIEISA-N 1 0 233.315 0.891 20 30 BCEDRO C[NH2+][C@@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000602423374 349531265 /nfs/dbraw/zinc/53/12/65/349531265.db2.gz YJSCFUQDZOBMCO-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO N#CC1(C(=O)NCC[C@H]2CC[NH2+]C2)CCC1 ZINC000602428209 349533194 /nfs/dbraw/zinc/53/31/94/349533194.db2.gz HOOKHHAGQGUOEL-SNVBAGLBSA-N 1 0 221.304 0.796 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)CCOCC ZINC000093317709 398243305 /nfs/dbraw/zinc/24/33/05/398243305.db2.gz KOTHOHVFSXKGKO-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO N#Cc1ccc(CC(=O)NCC[NH2+]C2CC2)cn1 ZINC000602427696 349533391 /nfs/dbraw/zinc/53/33/91/349533391.db2.gz IOFQUCACZKJRRF-UHFFFAOYSA-N 1 0 244.298 0.364 20 30 BCEDRO CCC(C#N)(CC)C(=O)N[C@H]1CC[NH2+]C1 ZINC000602425766 349532519 /nfs/dbraw/zinc/53/25/19/349532519.db2.gz VFJVLRQMFQDSJB-VIFPVBQESA-N 1 0 209.293 0.794 20 30 BCEDRO CCC(C#N)(CC)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000602425757 349532694 /nfs/dbraw/zinc/53/26/94/349532694.db2.gz VFJVLRQMFQDSJB-SECBINFHSA-N 1 0 209.293 0.794 20 30 BCEDRO CN(C(=O)C1(C#N)CCC1)[C@@H]1CC[NH2+]C1 ZINC000602429653 349533950 /nfs/dbraw/zinc/53/39/50/349533950.db2.gz RPYGBBUEZNOCIQ-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO C=CCCOCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000390764833 398245585 /nfs/dbraw/zinc/24/55/85/398245585.db2.gz PPAYLBNODJZATO-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO CC#CC[C@H](CO)Nc1cc[nH+]cc1C ZINC000645407090 398246301 /nfs/dbraw/zinc/24/63/01/398246301.db2.gz LFYKWQYHEADRGR-LLVKDONJSA-N 1 0 204.273 0.998 20 30 BCEDRO CC(C)[C@@H]([NH3+])CNC(=O)C1(C#N)CCC1 ZINC000602433202 349537064 /nfs/dbraw/zinc/53/70/64/349537064.db2.gz LQBJVZMZHIHFMZ-VIFPVBQESA-N 1 0 209.293 0.780 20 30 BCEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000576644391 365647114 /nfs/dbraw/zinc/64/71/14/365647114.db2.gz DJQBWDOSRCUCII-BXKDBHETSA-N 1 0 217.272 0.908 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NCC[NH2+]CCC ZINC000418466950 192038380 /nfs/dbraw/zinc/03/83/80/192038380.db2.gz DYSWMLJFNPCVKK-NSHDSACASA-N 1 0 243.351 0.470 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccnc(C#N)c1 ZINC000286887872 398256634 /nfs/dbraw/zinc/25/66/34/398256634.db2.gz FXKSIBYPYMHLQU-VIFPVBQESA-N 1 0 232.287 0.633 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCC[NH2+]CCC ZINC000418470343 192038119 /nfs/dbraw/zinc/03/81/19/192038119.db2.gz JIEMQBPLRFFGQP-JTQLQIEISA-N 1 0 229.324 0.222 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@H](C)C[NH3+] ZINC000418474418 192039124 /nfs/dbraw/zinc/03/91/24/192039124.db2.gz PKJMDWPHVJCDDG-SNVBAGLBSA-N 1 0 229.324 0.425 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000378745146 346821253 /nfs/dbraw/zinc/82/12/53/346821253.db2.gz QYZAUSNEAHUIFH-GMTAPVOTSA-N 1 0 224.304 0.281 20 30 BCEDRO COCC[NH2+]CCNC(=O)C1(C#N)CCC1 ZINC000602487022 349569222 /nfs/dbraw/zinc/56/92/22/349569222.db2.gz YOKUMVNTYDZJCQ-UHFFFAOYSA-N 1 0 225.292 0.032 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000602491011 349570976 /nfs/dbraw/zinc/57/09/76/349570976.db2.gz MQRYUROSZZNMRD-QWRGUYRKSA-N 1 0 233.315 0.891 20 30 BCEDRO C[C@@]1(C[NH3+])CCN(C(=O)C2(C#N)CCC2)C1 ZINC000602490317 349571116 /nfs/dbraw/zinc/57/11/16/349571116.db2.gz QZULIOCNFSXOAS-NSHDSACASA-N 1 0 221.304 0.878 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC2(CC2)C1 ZINC000602491050 349571142 /nfs/dbraw/zinc/57/11/42/349571142.db2.gz NIIWHVCAJKYTOD-MYJAWHEDSA-N 1 0 231.299 0.404 20 30 BCEDRO C[C@@H]1C[C@@H](NC(=O)C2(C#N)CCC2)CC[NH2+]1 ZINC000602493221 349571752 /nfs/dbraw/zinc/57/17/52/349571752.db2.gz QYWMSLAIHWFFHE-ZJUUUORDSA-N 1 0 221.304 0.937 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)CCC1 ZINC000602495921 349558908 /nfs/dbraw/zinc/55/89/08/349558908.db2.gz IDLIFEFLDIBDSB-NXEZZACHSA-N 1 0 221.304 0.924 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2C[NH2+]CCCO2)CCC1 ZINC000602496659 349559013 /nfs/dbraw/zinc/55/90/13/349559013.db2.gz OYWILUXVUYRJIZ-SNVBAGLBSA-N 1 0 237.303 0.175 20 30 BCEDRO CS(=O)(=O)NCC[NH2+]C1CCC(C#N)CC1 ZINC000602505457 349582879 /nfs/dbraw/zinc/58/28/79/349582879.db2.gz KQKSBBKHIKOWQI-UHFFFAOYSA-N 1 0 245.348 0.208 20 30 BCEDRO N#CCCCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000602542451 349587028 /nfs/dbraw/zinc/58/70/28/349587028.db2.gz XNQJCVSGCBWPQA-SNVBAGLBSA-N 1 0 209.293 0.939 20 30 BCEDRO N#CCCCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000602542450 349587230 /nfs/dbraw/zinc/58/72/30/349587230.db2.gz XNQJCVSGCBWPQA-JTQLQIEISA-N 1 0 209.293 0.939 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(C#N)CCC1 ZINC000602543924 349587880 /nfs/dbraw/zinc/58/78/80/349587880.db2.gz MVABHQHPVNESTH-VHSXEESVSA-N 1 0 221.304 0.937 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1CN(C)CCN1C ZINC000602545123 349588884 /nfs/dbraw/zinc/58/88/84/349588884.db2.gz MVBJOXYWXDWJKK-STQMWFEESA-N 1 0 238.379 0.762 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000602545099 349588959 /nfs/dbraw/zinc/58/89/59/349588959.db2.gz MVBJOXYWXDWJKK-CHWSQXEVSA-N 1 0 238.379 0.762 20 30 BCEDRO C=CCOCC[N@@H+]1CCO[C@](C)(COC)C1 ZINC000626177645 346838904 /nfs/dbraw/zinc/83/89/04/346838904.db2.gz SBAKJIVTDJQCHZ-LBPRGKRZSA-N 1 0 229.320 0.926 20 30 BCEDRO N#Cc1csc(C[N@H+]2CC[C@@H](C(N)=O)C2)c1 ZINC000157205985 344000746 /nfs/dbraw/zinc/00/07/46/344000746.db2.gz AJXRTOHBWAOOAU-SECBINFHSA-N 1 0 235.312 0.927 20 30 BCEDRO N#CCCCCC(=O)NCCOCCC[NH3+] ZINC000602552282 349593795 /nfs/dbraw/zinc/59/37/95/349593795.db2.gz MZZDLBZBPIZBJF-UHFFFAOYSA-N 1 0 227.308 0.552 20 30 BCEDRO COC[C@@H](CCO)[NH2+]C[C@@H](C)CCC#N ZINC000602557249 349597544 /nfs/dbraw/zinc/59/75/44/349597544.db2.gz YKURWULKGZORCD-WDEREUQCSA-N 1 0 214.309 0.913 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC1([NH+](C)C)CC1 ZINC000616343585 342718548 /nfs/dbraw/zinc/71/85/48/342718548.db2.gz NCLSYCXZSDTABV-JTQLQIEISA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418489379 192041937 /nfs/dbraw/zinc/04/19/37/192041937.db2.gz OIDQHCCJTQHJFG-MNOVXSKESA-N 1 0 241.335 0.350 20 30 BCEDRO COC[C@@](C)(CO)[NH2+]C[C@H](C)CCC#N ZINC000602587033 349612782 /nfs/dbraw/zinc/61/27/82/349612782.db2.gz GJBFHBRJPGAXNF-GHMZBOCLSA-N 1 0 214.309 0.913 20 30 BCEDRO N#Cc1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000309584700 342714455 /nfs/dbraw/zinc/71/44/55/342714455.db2.gz RTMWXBDEFKPAQU-IUCAKERBSA-N 1 0 215.260 0.004 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000616381460 342743600 /nfs/dbraw/zinc/74/36/00/342743600.db2.gz QUBDYYYVEOTABA-VQXHTEKXSA-N 1 0 226.320 0.522 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000616381459 342743604 /nfs/dbraw/zinc/74/36/04/342743604.db2.gz QUBDYYYVEOTABA-ILDUYXDCSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)Cn1cccn1 ZINC000320255968 342732965 /nfs/dbraw/zinc/73/29/65/342732965.db2.gz JCPJZGJCBSVWAA-RYUDHWBXSA-N 1 0 239.319 0.161 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629988904 361873741 /nfs/dbraw/zinc/87/37/41/361873741.db2.gz JPVRGPJKLWCLTN-JTQLQIEISA-N 1 0 226.320 0.524 20 30 BCEDRO COC[C@@H](O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000042504968 342777843 /nfs/dbraw/zinc/77/78/43/342777843.db2.gz OGERUGOISBODGK-OUAUKWLOSA-N 1 0 212.293 0.618 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000378925914 346860859 /nfs/dbraw/zinc/86/08/59/346860859.db2.gz SDMQFWQBDHTRJQ-NXEZZACHSA-N 1 0 226.345 0.467 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000335611550 136237086 /nfs/dbraw/zinc/23/70/86/136237086.db2.gz HHMYMNFHUXMKNT-MNOVXSKESA-N 1 0 223.320 0.649 20 30 BCEDRO CC[NH2+]CCCNc1nccc(C#N)n1 ZINC000231942031 342762349 /nfs/dbraw/zinc/76/23/49/342762349.db2.gz NHHVHZJZVTYUND-UHFFFAOYSA-N 1 0 205.265 0.760 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000378925916 346861546 /nfs/dbraw/zinc/86/15/46/346861546.db2.gz SDMQFWQBDHTRJQ-VHSXEESVSA-N 1 0 226.345 0.467 20 30 BCEDRO N#C[C@@]1(C(=O)NCC2(C(F)F)CC2)CC[NH2+]C1 ZINC000602564741 349616980 /nfs/dbraw/zinc/61/69/80/349616980.db2.gz OBARACPKMLFRHD-NSHDSACASA-N 1 0 243.257 0.651 20 30 BCEDRO CCOC(=O)[C@@H](C)[C@@H](C)[NH2+]CC#CCOC ZINC000309643392 342775077 /nfs/dbraw/zinc/77/50/77/342775077.db2.gz LHXUZWSZCNXJEJ-WDEREUQCSA-N 1 0 227.304 0.814 20 30 BCEDRO C[N@H+](CCNc1ccc(C#N)nn1)C1CC1 ZINC000309644611 342775292 /nfs/dbraw/zinc/77/52/92/342775292.db2.gz LVTHIQNDQHXEOK-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO C=C(C)CN(C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418459174 192043475 /nfs/dbraw/zinc/04/34/75/192043475.db2.gz JOFKMEGEVYUPHN-JTQLQIEISA-N 1 0 211.309 0.941 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1CCC[C@H]1C[NH3+] ZINC000418459686 192043649 /nfs/dbraw/zinc/04/36/49/192043649.db2.gz JUPCKSJKRCYUSP-GUBZILKMSA-N 1 0 211.309 0.988 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(C#N)CCCC1 ZINC000602573746 349623460 /nfs/dbraw/zinc/62/34/60/349623460.db2.gz MMFUWQLKZUMCFW-VHSXEESVSA-N 1 0 221.304 0.937 20 30 BCEDRO COC1(CNC(=[NH2+])NC[C@H]2CCCO2)CCC1 ZINC000262589389 536592856 /nfs/dbraw/zinc/59/28/56/536592856.db2.gz UHMBTHKKQZBWLZ-SNVBAGLBSA-N 1 0 241.335 0.639 20 30 BCEDRO C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000602602125 349624724 /nfs/dbraw/zinc/62/47/24/349624724.db2.gz MLWMSESAJSLOSA-UTLUCORTSA-N 1 0 209.293 0.732 20 30 BCEDRO COC1(CNC2=[NH+]CCN2C)CCCC1 ZINC000261528288 536592889 /nfs/dbraw/zinc/59/28/89/536592889.db2.gz MAIGELIVLGNFTR-UHFFFAOYSA-N 1 0 211.309 0.837 20 30 BCEDRO C=CCCN(C)C(=O)NC[C@@H]1COCCN1C ZINC000624730794 342823381 /nfs/dbraw/zinc/82/33/81/342823381.db2.gz OICKHWHYCQNFJT-LLVKDONJSA-N 1 0 241.335 0.535 20 30 BCEDRO CN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCC[C@@H]1C#N ZINC000602601749 349624874 /nfs/dbraw/zinc/62/48/74/349624874.db2.gz LEXBUZXSOHJQOJ-GMTAPVOTSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000602603458 349626093 /nfs/dbraw/zinc/62/60/93/349626093.db2.gz SDPNMCSXCQOUBX-LPEHRKFASA-N 1 0 209.293 0.874 20 30 BCEDRO CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000602603405 349626294 /nfs/dbraw/zinc/62/62/94/349626294.db2.gz RPNUBNBCCKYRKV-IVZWLZJFSA-N 1 0 209.293 0.874 20 30 BCEDRO CN(C(=O)COCC[NH3+])[C@H]1CCC[C@@H]1C#N ZINC000602603064 349625569 /nfs/dbraw/zinc/62/55/69/349625569.db2.gz PRDSXPMMLFMHNB-ZJUUUORDSA-N 1 0 225.292 0.112 20 30 BCEDRO CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCC[C@H]1C#N ZINC000602604615 349627328 /nfs/dbraw/zinc/62/73/28/349627328.db2.gz YZNMITVTBBLGIT-PREPNJAASA-N 1 0 233.315 0.602 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]CC1(OC)CCOCC1 ZINC000381749120 539006585 /nfs/dbraw/zinc/00/65/85/539006585.db2.gz QSONBSGEKFFAJQ-NSHDSACASA-N 1 0 229.320 0.709 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NCC1([NH3+])CCC1 ZINC000418531843 192048614 /nfs/dbraw/zinc/04/86/14/192048614.db2.gz XTAMQWMSHNOBOG-JTQLQIEISA-N 1 0 241.335 0.494 20 30 BCEDRO CC#CCNC(=O)NCC1=CC[NH2+]CC1 ZINC000418540337 192049611 /nfs/dbraw/zinc/04/96/11/192049611.db2.gz OMVABCVDQDWVMI-UHFFFAOYSA-N 1 0 207.277 0.229 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418551779 192049714 /nfs/dbraw/zinc/04/97/14/192049714.db2.gz ULKIWFCTOWADGP-CMPLNLGQSA-N 1 0 241.335 0.222 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)NCc1ccc(C#N)cc1 ZINC000417732467 398307511 /nfs/dbraw/zinc/30/75/11/398307511.db2.gz WRYDKABXSMZWEQ-SECBINFHSA-N 1 0 232.287 0.705 20 30 BCEDRO C=CCN(C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418544312 192049827 /nfs/dbraw/zinc/04/98/27/192049827.db2.gz CUYMBXHKOPETTH-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO Cc1cc(NC[C@@H]2C[NH2+]CCCO2)c(C#N)cn1 ZINC000333333669 398316790 /nfs/dbraw/zinc/31/67/90/398316790.db2.gz WSNWIPLRHWUASX-LBPRGKRZSA-N 1 0 246.314 0.474 20 30 BCEDRO CC[C@H](CC#N)[NH2+][C@H]1CCCNC(=O)C1 ZINC000602610217 349633374 /nfs/dbraw/zinc/63/33/74/349633374.db2.gz GUMXQSLNGRRVQN-ZJUUUORDSA-N 1 0 209.293 0.937 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H](C)CC[NH3+] ZINC000418556009 192050643 /nfs/dbraw/zinc/05/06/43/192050643.db2.gz OBVSPJVQQJDYAJ-JTQLQIEISA-N 1 0 229.324 0.568 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCCOCC[NH+](C)C ZINC000233831632 342888757 /nfs/dbraw/zinc/88/87/57/342888757.db2.gz XEVIVTBLLDMJJY-JTQLQIEISA-N 1 0 227.308 0.231 20 30 BCEDRO C=CC1CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000418563335 192050757 /nfs/dbraw/zinc/05/07/57/192050757.db2.gz HRCJLQDRXGZKOD-VIFPVBQESA-N 1 0 211.309 0.941 20 30 BCEDRO C[C@@H](Cn1cncn1)[NH2+]CC(C)(C)C#N ZINC000602612960 349636721 /nfs/dbraw/zinc/63/67/21/349636721.db2.gz KBXOMUGVRCILCU-VIFPVBQESA-N 1 0 207.281 0.806 20 30 BCEDRO C=CCCNC(=O)[C@H]([NH3+])CCSC ZINC000163651867 398324503 /nfs/dbraw/zinc/32/45/03/398324503.db2.gz WXBGGWUAEIUUNT-MRVPVSSYSA-N 1 0 202.323 0.759 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000602612260 349636301 /nfs/dbraw/zinc/63/63/01/349636301.db2.gz ORBFNLMSSNVRLH-VXGBXAGGSA-N 1 0 225.336 0.582 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cccc(C#N)n1 ZINC000602614493 349637474 /nfs/dbraw/zinc/63/74/74/349637474.db2.gz RSDKVSKZZDYQKV-GFCCVEGCSA-N 1 0 217.272 0.980 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@H](C)C[NH3+])C(=O)OC ZINC000602598354 349645032 /nfs/dbraw/zinc/64/50/32/349645032.db2.gz BOUXXWDNMFLMDZ-BDAKNGLRSA-N 1 0 228.292 0.205 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)O1 ZINC000602599768 349646015 /nfs/dbraw/zinc/64/60/15/349646015.db2.gz RHAVHVWWCHZHGH-RCWTZXSCSA-N 1 0 239.319 0.690 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@H](C)[C@H](C)[NH3+])C(=O)OC ZINC000602599330 349646087 /nfs/dbraw/zinc/64/60/87/349646087.db2.gz HWBPGPXQWLHFBF-UTLUCORTSA-N 1 0 242.319 0.594 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)CC1(C#N)CC1 ZINC000590247834 346883859 /nfs/dbraw/zinc/88/38/59/346883859.db2.gz ULRGYSWJLCINAO-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@H](C#N)CNC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000260232731 349654355 /nfs/dbraw/zinc/65/43/55/349654355.db2.gz WTABSLYIHQTEPO-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCCCNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000561200072 398338203 /nfs/dbraw/zinc/33/82/03/398338203.db2.gz YQQZPEFYOHEWRD-LLVKDONJSA-N 1 0 240.351 0.237 20 30 BCEDRO CN(c1cnc(C#N)cn1)[C@@H]1CCC[N@H+](C)C1 ZINC000071179034 398330631 /nfs/dbraw/zinc/33/06/31/398330631.db2.gz CWGYFLVDHHSRCH-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO CNS(=O)(=O)CC[NH2+]C1CCC(C#N)CC1 ZINC000602629072 349665139 /nfs/dbraw/zinc/66/51/39/349665139.db2.gz ZPIUCHJNWTXXHS-UHFFFAOYSA-N 1 0 245.348 0.208 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCOC[C@H](O)C1 ZINC000602681865 349674426 /nfs/dbraw/zinc/67/44/26/349674426.db2.gz XGHRDIHTCCYJJG-WDEREUQCSA-N 1 0 212.293 0.619 20 30 BCEDRO CCS(=O)(=O)C[C@H](C)[NH2+]CCCC#N ZINC000308628406 346893270 /nfs/dbraw/zinc/89/32/70/346893270.db2.gz XWZZESATJWGZJQ-VIFPVBQESA-N 1 0 218.322 0.703 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418609054 192055836 /nfs/dbraw/zinc/05/58/36/192055836.db2.gz DDMMZYUZUWRKNX-GUBZILKMSA-N 1 0 211.309 0.858 20 30 BCEDRO C[NH+](C)C1CN(c2cncc(C#N)n2)C1 ZINC000260241625 349676340 /nfs/dbraw/zinc/67/63/40/349676340.db2.gz IMMMQZQVSJUWOW-UHFFFAOYSA-N 1 0 203.249 0.098 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CCN1CCC(O)CC1 ZINC000602679688 349672720 /nfs/dbraw/zinc/67/27/20/349672720.db2.gz IGOGUTBBLVDQFN-LBPRGKRZSA-N 1 0 239.363 0.973 20 30 BCEDRO C=C(C)CC[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000351751304 136251229 /nfs/dbraw/zinc/25/12/29/136251229.db2.gz AVEWNERLTYRZLS-UHFFFAOYSA-N 1 0 232.349 0.706 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000235525235 259333240 /nfs/dbraw/zinc/33/32/40/259333240.db2.gz KQROOBFMKVDQKG-UMNHJUIQSA-N 1 0 224.304 0.281 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000602689269 349680427 /nfs/dbraw/zinc/68/04/27/349680427.db2.gz BFILVESXTSKDKU-VXGBXAGGSA-N 1 0 226.320 0.745 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000085614360 346897772 /nfs/dbraw/zinc/89/77/72/346897772.db2.gz GNIWYEOIMMNOKB-ZJUUUORDSA-N 1 0 241.360 0.842 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000602693287 349689695 /nfs/dbraw/zinc/68/96/95/349689695.db2.gz FGKGAEMERAMCAY-GARJFASQSA-N 1 0 221.304 0.937 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CCC[C@H]2CCO2)C1 ZINC000602697388 349693307 /nfs/dbraw/zinc/69/33/07/349693307.db2.gz PESZHLKSDLIQSS-RYUDHWBXSA-N 1 0 224.304 0.906 20 30 BCEDRO CNC(=O)[C@@H]1CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602697701 349693725 /nfs/dbraw/zinc/69/37/25/349693725.db2.gz LIHRCFKTVNMMLE-SNVBAGLBSA-N 1 0 244.298 0.521 20 30 BCEDRO CCNC(=O)C1C[NH+](C[C@H](C)CCC#N)C1 ZINC000602691800 349688973 /nfs/dbraw/zinc/68/89/73/349688973.db2.gz ZXFOYLNKPJGNJD-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO CO[C@@](C)(CO)C[NH2+]C[C@H](C)CCC#N ZINC000602704648 349698836 /nfs/dbraw/zinc/69/88/36/349698836.db2.gz IVDNUCCBZHUNNH-GHMZBOCLSA-N 1 0 214.309 0.913 20 30 BCEDRO CO[C@](C)(CO)C[NH2+]C[C@@H](C)CCC#N ZINC000602704652 349698890 /nfs/dbraw/zinc/69/88/90/349698890.db2.gz IVDNUCCBZHUNNH-QWRGUYRKSA-N 1 0 214.309 0.913 20 30 BCEDRO CO[C@@H](C[NH+]1CC(CC#N)C1)[C@@H]1CCOC1 ZINC000602705971 349699977 /nfs/dbraw/zinc/69/99/77/349699977.db2.gz FRMPCVQPDDMQOA-NEPJUHHUSA-N 1 0 224.304 0.883 20 30 BCEDRO C=C(C)CC[NH+]1CCN(CC(=O)OC)CC1 ZINC000351816877 136255436 /nfs/dbraw/zinc/25/54/36/136255436.db2.gz SWFFHEHMXVIQGA-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2ccncc2)n1 ZINC000353050022 187208615 /nfs/dbraw/zinc/20/86/15/187208615.db2.gz UTMJRASWXQGMQQ-UHFFFAOYSA-N 1 0 228.259 0.335 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418619086 192057248 /nfs/dbraw/zinc/05/72/48/192057248.db2.gz JKEMPDMAFGUWKP-MNOVXSKESA-N 1 0 241.335 0.350 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+]C1(C2CC2)CC1 ZINC000309008712 259336396 /nfs/dbraw/zinc/33/63/96/259336396.db2.gz QYCVPOGZSYBQIW-VIFPVBQESA-N 1 0 206.289 0.657 20 30 BCEDRO N#CC1CCC([NH2+][C@H]2C[C@H](C(N)=O)C2)CC1 ZINC000602722310 349713256 /nfs/dbraw/zinc/71/32/56/349713256.db2.gz BDCNLDXYKQJSKK-FVDFVZEOSA-N 1 0 221.304 0.922 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CCN1CC[C@H](O)C1 ZINC000602728970 349717019 /nfs/dbraw/zinc/71/70/19/349717019.db2.gz FVHGDKBHUQOAGW-RYUDHWBXSA-N 1 0 225.336 0.582 20 30 BCEDRO N#CCC1(C[N@H+]2CC[C@H](NC(N)=O)C2)CC1 ZINC000602795865 349737921 /nfs/dbraw/zinc/73/79/21/349737921.db2.gz BEDIGGFLRVRZAT-VIFPVBQESA-N 1 0 222.292 0.423 20 30 BCEDRO CC[N@H+](CC1(CC#N)CC1)[C@H]1CCNC1=O ZINC000602823769 349762969 /nfs/dbraw/zinc/76/29/69/349762969.db2.gz DHGNIFJECIUSSP-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO N#CCC1(C[N@H+]2C[C@H](O)C[C@H](O)C2)CC1 ZINC000602786810 349750373 /nfs/dbraw/zinc/75/03/73/349750373.db2.gz YNOOACVAMCLYNW-AOOOYVTPSA-N 1 0 210.277 0.108 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000602861942 349773493 /nfs/dbraw/zinc/77/34/93/349773493.db2.gz JTQPQIVOWFYRFH-NXEZZACHSA-N 1 0 208.265 0.136 20 30 BCEDRO C=C(C)CC[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000351878603 136262386 /nfs/dbraw/zinc/26/23/86/136262386.db2.gz DWTNMWNUOSHHHG-UHFFFAOYSA-N 1 0 239.363 0.834 20 30 BCEDRO Cn1cc([C@@H](CO)[NH2+]CC2(CC#N)CC2)cn1 ZINC000602807000 349769481 /nfs/dbraw/zinc/76/94/81/349769481.db2.gz GVBIFDVKFGOPSN-LLVKDONJSA-N 1 0 234.303 0.737 20 30 BCEDRO C[C@@H]1C[NH+](C[C@@H]2CCOC2)C[C@@H](C)N1CC#N ZINC000602854466 349788170 /nfs/dbraw/zinc/78/81/70/349788170.db2.gz PLQOFXLDCIBMFB-UPJWGTAASA-N 1 0 237.347 0.941 20 30 BCEDRO C[C@@H]1C[NH+](C[C@H]2CCOC2)C[C@@H](C)N1CC#N ZINC000602854464 349788333 /nfs/dbraw/zinc/78/83/33/349788333.db2.gz PLQOFXLDCIBMFB-JHJVBQTASA-N 1 0 237.347 0.941 20 30 BCEDRO N#CCC1(C[NH+]2[C@H](CO)CC[C@H]2CO)CC1 ZINC000602881357 349791035 /nfs/dbraw/zinc/79/10/35/349791035.db2.gz PTMGJBHAYCYWHK-QWRGUYRKSA-N 1 0 224.304 0.498 20 30 BCEDRO C[C@H](O)CC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849768 349784819 /nfs/dbraw/zinc/78/48/19/349784819.db2.gz NQHZEXOBJBMECZ-SRVKXCTJSA-N 1 0 225.336 0.675 20 30 BCEDRO C[C@@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602850582 349785488 /nfs/dbraw/zinc/78/54/88/349785488.db2.gz QUBAYGJEUUXOEU-GMTAPVOTSA-N 1 0 211.309 0.285 20 30 BCEDRO C[C@@H]1C[NH+](CCc2c[nH]nn2)C[C@@H](C)N1CC#N ZINC000602850807 349785845 /nfs/dbraw/zinc/78/58/45/349785845.db2.gz SLGGGYZVNNAICA-GHMZBOCLSA-N 1 0 248.334 0.265 20 30 BCEDRO CC(C)[C@@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851761 349786481 /nfs/dbraw/zinc/78/64/81/349786481.db2.gz XOWBYUWSRXZMTQ-XQQFMLRXSA-N 1 0 239.363 0.921 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418657026 192059401 /nfs/dbraw/zinc/05/94/01/192059401.db2.gz QPSCZJJDJGFBIR-JQWIXIFHSA-N 1 0 241.335 0.629 20 30 BCEDRO C=CCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634649805 343061809 /nfs/dbraw/zinc/06/18/09/343061809.db2.gz VNTNNZHVAJWKSO-LLVKDONJSA-N 1 0 229.320 0.445 20 30 BCEDRO N#Cc1ccnc(NC2C[NH2+]C2)c1Cl ZINC000236056344 259345245 /nfs/dbraw/zinc/34/52/45/259345245.db2.gz SGHNDSXVXYNDQM-UHFFFAOYSA-N 1 0 208.652 0.990 20 30 BCEDRO C[NH+](C)[C@@H]1CCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000602889991 349795122 /nfs/dbraw/zinc/79/51/22/349795122.db2.gz KQEQAHVGGAMRIX-NEPJUHHUSA-N 1 0 239.363 0.923 20 30 BCEDRO C[C@H]1C[NH+](CCCO)C[C@H](C)N1CC#N ZINC000144459571 362034058 /nfs/dbraw/zinc/03/40/58/362034058.db2.gz JPKAMWIMFLHUEN-QWRGUYRKSA-N 1 0 211.309 0.287 20 30 BCEDRO C=CCNC(=O)[C@@H](C)n1cc(C[NH2+]CC)nn1 ZINC000640883124 362068860 /nfs/dbraw/zinc/06/88/60/362068860.db2.gz BDZSCHXJYXYWDP-SECBINFHSA-N 1 0 237.307 0.251 20 30 BCEDRO C=CCNC(=O)[C@H](C)n1cc(CCC[NH3+])nn1 ZINC000640883187 362069018 /nfs/dbraw/zinc/06/90/18/362069018.db2.gz CKLZUYSQFOHQPU-VIFPVBQESA-N 1 0 237.307 0.033 20 30 BCEDRO C[NH+](C)[C@H]1CCN(C[C@@H](O)CC(C)(C)C#N)C1 ZINC000602889994 349795575 /nfs/dbraw/zinc/79/55/75/349795575.db2.gz KQEQAHVGGAMRIX-RYUDHWBXSA-N 1 0 239.363 0.923 20 30 BCEDRO C=C(C)Cn1cc(CCN2CCC([NH3+])CC2)nn1 ZINC000640803393 362050979 /nfs/dbraw/zinc/05/09/79/362050979.db2.gz KRZHFMCDNJOWNG-UHFFFAOYSA-N 1 0 249.362 0.820 20 30 BCEDRO C=C(C)Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000640804150 362053082 /nfs/dbraw/zinc/05/30/82/362053082.db2.gz WUVPKPVDCWKPKJ-UHFFFAOYSA-N 1 0 223.324 0.635 20 30 BCEDRO CC(C)[N@H+](CCO)CCC(=O)N(C)CCC#N ZINC000042479137 187232604 /nfs/dbraw/zinc/23/26/04/187232604.db2.gz RFTLKWYVTPLVBD-UHFFFAOYSA-N 1 0 241.335 0.451 20 30 BCEDRO C[NH2+]C[C@H](C)CNc1nccnc1C#N ZINC000168343069 136267586 /nfs/dbraw/zinc/26/75/86/136267586.db2.gz QREQWLGDKJKMAO-QMMMGPOBSA-N 1 0 205.265 0.616 20 30 BCEDRO C=CCCOCCNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362957750 136269042 /nfs/dbraw/zinc/26/90/42/136269042.db2.gz KUSJBQXKXKTYHA-NWDGAFQWSA-N 1 0 240.347 0.893 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418689156 192060235 /nfs/dbraw/zinc/06/02/35/192060235.db2.gz BNUHGJWJUDKZBZ-VHSXEESVSA-N 1 0 229.324 0.566 20 30 BCEDRO CC#CCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000418686093 192060249 /nfs/dbraw/zinc/06/02/49/192060249.db2.gz BUFGAFPHVPZNLL-SNVBAGLBSA-N 1 0 211.309 0.826 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@@H](O)COC[C@@H]1CCCO1 ZINC000602865125 349796958 /nfs/dbraw/zinc/79/69/58/349796958.db2.gz TXHLMVJZSNZNRA-UTUOFQBUSA-N 1 0 242.319 0.435 20 30 BCEDRO CC[C@H](CC#N)[NH2+][C@@H](C)CN1CCOCC1 ZINC000049504631 343111314 /nfs/dbraw/zinc/11/13/14/343111314.db2.gz AHCKYCJUFMBKKA-NWDGAFQWSA-N 1 0 225.336 0.989 20 30 BCEDRO C=CCCCn1cc(CC[C@@H](O)C[NH3+])nn1 ZINC000640936162 362074246 /nfs/dbraw/zinc/07/42/46/362074246.db2.gz PNRTUTMHVAVGEP-LLVKDONJSA-N 1 0 224.308 0.497 20 30 BCEDRO C=CCCCn1cc(C[C@H]([NH3+])COC)nn1 ZINC000640935916 362074285 /nfs/dbraw/zinc/07/42/85/362074285.db2.gz KQDCIBLMYVMWNM-JTQLQIEISA-N 1 0 224.308 0.761 20 30 BCEDRO C=CCCCn1cc(COCC[NH3+])nn1 ZINC000640935877 362074538 /nfs/dbraw/zinc/07/45/38/362074538.db2.gz KISQHLSKEMKBGP-UHFFFAOYSA-N 1 0 210.281 0.720 20 30 BCEDRO C=C(C)C[N@H+](CC)CCC(=O)NCC(=O)OC ZINC000265176154 187234851 /nfs/dbraw/zinc/23/48/51/187234851.db2.gz ZLCHFSNQHUGLHL-UHFFFAOYSA-N 1 0 242.319 0.564 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](COC)OC ZINC000234039360 343125826 /nfs/dbraw/zinc/12/58/26/343125826.db2.gz LXUURWVZFGKKAB-ZJUUUORDSA-N 1 0 200.282 0.930 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](COC)OC ZINC000234039761 343126154 /nfs/dbraw/zinc/12/61/54/343126154.db2.gz LXUURWVZFGKKAB-NXEZZACHSA-N 1 0 200.282 0.930 20 30 BCEDRO CC[N@H+](CCCO)CCOCCC#N ZINC000339014370 136271105 /nfs/dbraw/zinc/27/11/05/136271105.db2.gz QMKNNHDKRZGMOH-UHFFFAOYSA-N 1 0 200.282 0.621 20 30 BCEDRO C[C@H]([NH2+]CCOCCC#N)[C@@H]1CCOC1 ZINC000339085506 136271316 /nfs/dbraw/zinc/27/13/16/136271316.db2.gz NOHPSUYBMRVREJ-WDEREUQCSA-N 1 0 212.293 0.931 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCOC[C@H]1C ZINC000277625539 187239986 /nfs/dbraw/zinc/23/99/86/187239986.db2.gz BVEYMNFVGOWTDY-OUAUKWLOSA-N 1 0 224.304 0.139 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCSCC1 ZINC000089983853 187243358 /nfs/dbraw/zinc/24/33/58/187243358.db2.gz QIALXNRUQZKSRB-SNVBAGLBSA-N 1 0 226.345 0.563 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)CC[NH2+]C ZINC000120528547 136275780 /nfs/dbraw/zinc/27/57/80/136275780.db2.gz RWZOZANXKGGUKK-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO N#Cc1nc(N)n(CCC[NH+]2CCCC2)c1C#N ZINC000195002097 136276199 /nfs/dbraw/zinc/27/61/99/136276199.db2.gz YSMBATQCXNIBLG-UHFFFAOYSA-N 1 0 244.302 0.695 20 30 BCEDRO C[NH+]=C(NCc1c[nH]nc1C)NCC1CC1 ZINC000262911908 136281318 /nfs/dbraw/zinc/28/13/18/136281318.db2.gz YNTMGFLBXNJEFL-UHFFFAOYSA-N 1 0 221.308 0.793 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC000602871426 349802507 /nfs/dbraw/zinc/80/25/07/349802507.db2.gz RBJBVFHUBCPFBF-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO Cc1c[nH+]ccc1NCCn1cnc(C#N)n1 ZINC000343541142 343253410 /nfs/dbraw/zinc/25/34/10/343253410.db2.gz LJBKCCFWAPJMIJ-UHFFFAOYSA-N 1 0 228.259 0.387 20 30 BCEDRO CC[C@H](C#N)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000366298611 136280602 /nfs/dbraw/zinc/28/06/02/136280602.db2.gz IZWBVEHLTUMVAY-GHMZBOCLSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@H](CC#N)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000602871943 349803449 /nfs/dbraw/zinc/80/34/49/349803449.db2.gz YSRRWMXZWNHGDS-ONGXEEELSA-N 1 0 211.309 0.333 20 30 BCEDRO C[C@H](C#N)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000340437544 136289605 /nfs/dbraw/zinc/28/96/05/136289605.db2.gz VXYVERKQXDWMMV-OPRDCNLKSA-N 1 0 209.293 0.887 20 30 BCEDRO CO/N=C/C(=O)Nc1ccnn1CC[NH+](C)C ZINC000294179164 136289891 /nfs/dbraw/zinc/28/98/91/136289891.db2.gz TTZBWQAMHOKSRN-XYOKQWHBSA-N 1 0 239.279 0.015 20 30 BCEDRO C#CCN(C)[C@@H](C(=O)OC)C1(OC)CCC1 ZINC000298260411 343265264 /nfs/dbraw/zinc/26/52/64/343265264.db2.gz FMLKXUWUXFAFQH-JTQLQIEISA-N 1 0 225.288 0.662 20 30 BCEDRO C[C@H]([NH2+]CCC(=O)N(C)CCC#N)c1cn[nH]c1 ZINC000275257555 136285352 /nfs/dbraw/zinc/28/53/52/136285352.db2.gz ZLUPYMIWWLHTLV-JTQLQIEISA-N 1 0 249.318 0.822 20 30 BCEDRO C[C@H]1CN/C(=[NH+]\Cc2cn3ccsc3n2)N1 ZINC000284947883 136287196 /nfs/dbraw/zinc/28/71/96/136287196.db2.gz DQCJYEQBOSMENQ-ZETCQYMHSA-N 1 0 235.316 0.833 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H](O)CCc2ccccc2)N1 ZINC000284934136 136287275 /nfs/dbraw/zinc/28/72/75/136287275.db2.gz CSQAWAYSSOEJGS-DGCLKSJQSA-N 1 0 247.342 0.917 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000335620029 136296987 /nfs/dbraw/zinc/29/69/87/136296987.db2.gz ZWNVQYJFNPOXRU-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO C=CCCN1CC[NH+](CC(C)(C)O)CC1 ZINC000070601431 343334292 /nfs/dbraw/zinc/33/42/92/343334292.db2.gz YDZOSARWXSDBBZ-UHFFFAOYSA-N 1 0 212.337 0.951 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CCCSC ZINC000281234678 166183795 /nfs/dbraw/zinc/18/37/95/166183795.db2.gz CPODKOQHMXRXBP-JTQLQIEISA-N 1 0 228.361 0.809 20 30 BCEDRO CC(C)(CC#N)C[NH2+]CCC(=O)NC(N)=O ZINC000576980329 365741566 /nfs/dbraw/zinc/74/15/66/365741566.db2.gz VKPAKOJMALAVTD-UHFFFAOYSA-N 1 0 226.280 0.101 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000621378299 343381288 /nfs/dbraw/zinc/38/12/88/343381288.db2.gz SWPLRLXANPEUTK-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000669555238 488216000 /nfs/dbraw/zinc/21/60/00/488216000.db2.gz KQAAZEKWOLOWES-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N(CCC#N)CCC#N)C1 ZINC000609257090 343395009 /nfs/dbraw/zinc/39/50/09/343395009.db2.gz QDQHOQIGVCFIAT-NSHDSACASA-N 1 0 234.303 0.594 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCN2CCCOCC2)C1 ZINC000349362265 136342974 /nfs/dbraw/zinc/34/29/74/136342974.db2.gz CPFNYNOTPPLZIN-CHWSQXEVSA-N 1 0 237.347 0.991 20 30 BCEDRO CC(=O)N1CC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000344663914 343439708 /nfs/dbraw/zinc/43/97/08/343439708.db2.gz BOQJXSFTTBBWQU-JTQLQIEISA-N 1 0 233.271 0.862 20 30 BCEDRO C=C(C)[C@H](CO)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641083294 362204218 /nfs/dbraw/zinc/20/42/18/362204218.db2.gz ANVBVAPGSSGLBT-PWSUYJOCSA-N 1 0 236.319 0.855 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc(C(C)(C)[NH2+]C)nn1 ZINC000641084913 362207304 /nfs/dbraw/zinc/20/73/04/362207304.db2.gz VPLZAAHEDCPHCZ-SECBINFHSA-N 1 0 224.308 0.842 20 30 BCEDRO C=CCOCCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000669555421 488216741 /nfs/dbraw/zinc/21/67/41/488216741.db2.gz XEOHYGGIBWQDGA-LLVKDONJSA-N 1 0 241.335 0.488 20 30 BCEDRO C[C@@H](CNC(=O)c1cc(C#N)cn1C)[NH+](C)C ZINC000349345091 136342603 /nfs/dbraw/zinc/34/26/03/136342603.db2.gz VAFJIQUETVQEFF-VIFPVBQESA-N 1 0 234.303 0.577 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000085620141 346939992 /nfs/dbraw/zinc/93/99/92/346939992.db2.gz MNFXXIHYVWMUNE-NXEZZACHSA-N 1 0 225.292 0.125 20 30 BCEDRO C[N@H+](CCNC(=O)N[C@H]1CCCOC1)C1CC1 ZINC000329427447 136365684 /nfs/dbraw/zinc/36/56/84/136365684.db2.gz JGMDHFNABBQRKW-JTQLQIEISA-N 1 0 241.335 0.763 20 30 BCEDRO C=CCN1CC[C@H](n2cc([C@@H]([NH3+])CC)nn2)C1=O ZINC000641108088 362228458 /nfs/dbraw/zinc/22/84/58/362228458.db2.gz IIWJSBGSZQNGOQ-ONGXEEELSA-N 1 0 249.318 0.647 20 30 BCEDRO N#Cc1ccc(OCCNC2=[NH+]CCCN2)cc1 ZINC000262671261 136374664 /nfs/dbraw/zinc/37/46/64/136374664.db2.gz PLYGOCXVTMZBMR-UHFFFAOYSA-N 1 0 244.298 0.876 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CCC)[C@H]1CC[N@H+](C)C1 ZINC000616468345 343462881 /nfs/dbraw/zinc/46/28/81/343462881.db2.gz XIBZIYOQMKEDMS-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000616567441 343510963 /nfs/dbraw/zinc/51/09/63/343510963.db2.gz PZZOBPUUXFCJRJ-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO CCOC(=O)CCN(CCC#N)CCOC ZINC000070844695 343513046 /nfs/dbraw/zinc/51/30/46/343513046.db2.gz QQJYNFUCVHVYQA-UHFFFAOYSA-N 1 0 228.292 0.802 20 30 BCEDRO CC(C)[N@@H+]1CC[C@H](Nc2ncncc2C#N)C1 ZINC000389216722 343520222 /nfs/dbraw/zinc/52/02/22/343520222.db2.gz DCRKXGOCHMZYKG-NSHDSACASA-N 1 0 231.303 0.665 20 30 BCEDRO C[C@H](CS(C)(=O)=O)[NH2+]CC1(CC#N)CC1 ZINC000083854453 343502243 /nfs/dbraw/zinc/50/22/43/343502243.db2.gz VMCOSKVTAKYZQS-SECBINFHSA-N 1 0 230.333 0.703 20 30 BCEDRO C[N@@H+]1CCN(CCC(C)(C)C#N)[C@H](CO)C1 ZINC000602905422 349818427 /nfs/dbraw/zinc/81/84/27/349818427.db2.gz NXJMYMOEYCYRIU-NSHDSACASA-N 1 0 225.336 0.535 20 30 BCEDRO COC[C@](C)(CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000602933086 349823726 /nfs/dbraw/zinc/82/37/26/349823726.db2.gz QTSIYTSAUJEBHJ-PWSUYJOCSA-N 1 0 244.335 0.274 20 30 BCEDRO C[C@@]12C[NH+](CCCCC#N)C[C@@]1(C)C(=O)NC2=O ZINC000602936437 349824153 /nfs/dbraw/zinc/82/41/53/349824153.db2.gz PJZUMIUFEXYAIZ-STQMWFEESA-N 1 0 249.314 0.665 20 30 BCEDRO COC1(C[NH2+]C[C@@H](C)C#N)CCOCC1 ZINC000379949251 343659668 /nfs/dbraw/zinc/65/96/68/343659668.db2.gz SHQOEGMEZJFRLK-JTQLQIEISA-N 1 0 212.293 0.931 20 30 BCEDRO C[N@H+](CCC(=O)NC(N)=O)[C@@H]1CCC[C@@H]1C#N ZINC000602976975 349842503 /nfs/dbraw/zinc/84/25/03/349842503.db2.gz VXEGJABSQKJYSE-RKDXNWHRSA-N 1 0 238.291 0.195 20 30 BCEDRO C#CCNC(=O)N1CCC([C@@H]2CCC[NH2+]2)CC1 ZINC000491666990 259369376 /nfs/dbraw/zinc/36/93/76/259369376.db2.gz KNHOBBOZWRIVEC-LBPRGKRZSA-N 1 0 235.331 0.793 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@H](O)CC1 ZINC000339786977 343702991 /nfs/dbraw/zinc/70/29/91/343702991.db2.gz JDHXMDYNIFRWJA-NSHDSACASA-N 1 0 212.293 0.763 20 30 BCEDRO C[N@H+](C[C@H](O)Cn1cccn1)[C@H]1CCC[C@@H]1C#N ZINC000602975992 349839987 /nfs/dbraw/zinc/83/99/87/349839987.db2.gz JNDGSFLCPQWPQF-AGIUHOORSA-N 1 0 248.330 0.868 20 30 BCEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)NCC#CCO ZINC000582131577 346957078 /nfs/dbraw/zinc/95/70/78/346957078.db2.gz LMAFIXYFMNLXKN-LBPRGKRZSA-N 1 0 238.331 0.363 20 30 BCEDRO N#Cc1cccc(NC(=O)[C@H]2C[NH2+]CCO2)c1 ZINC000043712560 343737675 /nfs/dbraw/zinc/73/76/75/343737675.db2.gz HTIOBIZXZPXLOO-LLVKDONJSA-N 1 0 231.255 0.485 20 30 BCEDRO C=CCNC(=O)N1CC[NH2+]C[C@H]1CCC ZINC000059909054 343714142 /nfs/dbraw/zinc/71/41/42/343714142.db2.gz GZRDGJUHBGMDBT-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCCNC1=O ZINC000584217744 343773351 /nfs/dbraw/zinc/77/33/51/343773351.db2.gz YZVUOFRLUQEXFI-TUAOUCFPSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[C@@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000625701177 344041011 /nfs/dbraw/zinc/04/10/11/344041011.db2.gz OXRHFFUEYCYNHG-SNVBAGLBSA-N 1 0 237.303 0.436 20 30 BCEDRO COCC[N@H+](CCCCC#N)[C@@H](C)C(N)=O ZINC000106312732 347009427 /nfs/dbraw/zinc/00/94/27/347009427.db2.gz CKJKEBLKDBJBSK-JTQLQIEISA-N 1 0 227.308 0.502 20 30 BCEDRO C[NH+](C)CCCNc1ccncc1C#N ZINC000393608874 343902099 /nfs/dbraw/zinc/90/20/99/343902099.db2.gz KVLZOOBWHAAKGU-UHFFFAOYSA-N 1 0 204.277 0.739 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc([C@@](C)([NH3+])CC)nn1 ZINC000603233030 349892070 /nfs/dbraw/zinc/89/20/70/349892070.db2.gz HAFDXHMDHBCNRF-KCJUWKMLSA-N 1 0 238.291 0.762 20 30 BCEDRO C[C@H](NC(=O)NCC[NH+]1CCC1)[C@@H]1CCCO1 ZINC000328636762 537835952 /nfs/dbraw/zinc/83/59/52/537835952.db2.gz AKYCABCZBBYSQN-QWRGUYRKSA-N 1 0 241.335 0.763 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+](C)CCN1CCCC1=O ZINC000128816991 343919687 /nfs/dbraw/zinc/91/96/87/343919687.db2.gz DKPHZCONVUPWRB-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C#CCOc1ccc(C[NH2+]C[C@@H](O)CO)cc1 ZINC000276822622 166198643 /nfs/dbraw/zinc/19/86/43/166198643.db2.gz WMRROQYANHDOIP-GFCCVEGCSA-N 1 0 235.283 0.141 20 30 BCEDRO C=CCCn1cc(Cn2cc(C[NH2+]C)nn2)nn1 ZINC000641205947 362269796 /nfs/dbraw/zinc/26/97/96/362269796.db2.gz IOZAKZVRRKEYSD-UHFFFAOYSA-N 1 0 247.306 0.213 20 30 BCEDRO C=CCC[C@@H](O)Cn1cc([C@H](C)[NH2+]C)nn1 ZINC000641212740 362274896 /nfs/dbraw/zinc/27/48/96/362274896.db2.gz PVLKLISGAKCYEW-VHSXEESVSA-N 1 0 224.308 0.886 20 30 BCEDRO C=CCC[C@@H](O)Cn1cc(CCC[NH3+])nn1 ZINC000641212553 362275019 /nfs/dbraw/zinc/27/50/19/362275019.db2.gz LUASTUDTXLMSIW-LLVKDONJSA-N 1 0 224.308 0.497 20 30 BCEDRO C=CCC[C@H](O)Cn1cc([C@@H](C)[NH2+]C)nn1 ZINC000641212741 362275638 /nfs/dbraw/zinc/27/56/38/362275638.db2.gz PVLKLISGAKCYEW-ZJUUUORDSA-N 1 0 224.308 0.886 20 30 BCEDRO N#Cc1ccccc1CN1CCO[C@@H](C[NH3+])C1 ZINC000165684019 343963557 /nfs/dbraw/zinc/96/35/57/343963557.db2.gz AOIBUIOUPNNQHC-ZDUSSCGKSA-N 1 0 231.299 0.718 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](C[C@H](O)COCCOC)C1 ZINC000625703808 344048158 /nfs/dbraw/zinc/04/81/58/344048158.db2.gz SSULMHNPCKOFBW-OLZOCXBDSA-N 1 0 243.347 0.908 20 30 BCEDRO COC[C@@H]([NH3+])Cc1cn(CC2(C#N)CCC2)nn1 ZINC000603255002 349899836 /nfs/dbraw/zinc/89/98/36/349899836.db2.gz DHPPJLFWKWPOIW-JTQLQIEISA-N 1 0 249.318 0.488 20 30 BCEDRO C=CCC[NH2+]C[C@@H](O)CCC(=O)OCC ZINC000395167261 344109693 /nfs/dbraw/zinc/10/96/93/344109693.db2.gz UUMSNYACYACZKX-JTQLQIEISA-N 1 0 215.293 0.856 20 30 BCEDRO C=CC[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625803263 344079955 /nfs/dbraw/zinc/07/99/55/344079955.db2.gz IJWGALWBPFVRQV-UHFFFAOYSA-N 1 0 235.291 0.200 20 30 BCEDRO C#CCSCCNC(=O)N(C)CC[NH+](C)C ZINC000267105370 166201526 /nfs/dbraw/zinc/20/15/26/166201526.db2.gz XNASOTQLTAWGNB-UHFFFAOYSA-N 1 0 243.376 0.556 20 30 BCEDRO COCC#CCN(C)[C@H]1CCCCN(C)C1=O ZINC000634742244 344163331 /nfs/dbraw/zinc/16/33/31/344163331.db2.gz FGIGDLBGHOIAHA-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C[NH+]=C(NCc1noc(C)n1)NCC1CCC1 ZINC000083152261 344171623 /nfs/dbraw/zinc/17/16/23/344171623.db2.gz ZQUIATSRQMCECC-UHFFFAOYSA-N 1 0 237.307 0.843 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H]1CCCNC1=O ZINC000572778172 323068348 /nfs/dbraw/zinc/06/83/48/323068348.db2.gz ABTFCSFJCDYUKF-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000395273149 344139129 /nfs/dbraw/zinc/13/91/29/344139129.db2.gz OLINCBNNEFJXHP-GHMZBOCLSA-N 1 0 223.320 0.946 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1CN(CC)CCO1 ZINC000081423084 344142642 /nfs/dbraw/zinc/14/26/42/344142642.db2.gz IDRIWKKLVJHYCA-VIFPVBQESA-N 1 0 232.711 0.576 20 30 BCEDRO CN(CCC[NH+](C)C)c1ccnc(C#N)n1 ZINC000309309382 347029865 /nfs/dbraw/zinc/02/98/65/347029865.db2.gz DUNHTZSEKVMZBA-UHFFFAOYSA-N 1 0 219.292 0.736 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc(CC[NH+](C)C)nn1 ZINC000603238382 349903197 /nfs/dbraw/zinc/90/31/97/349903197.db2.gz WQDJBDLSNGAUIJ-JTQLQIEISA-N 1 0 238.291 0.282 20 30 BCEDRO N#CCCc1cn(CC2CC[NH2+]CC2)nn1 ZINC000603263144 349903269 /nfs/dbraw/zinc/90/32/69/349903269.db2.gz CULVNHHKXKCQRL-UHFFFAOYSA-N 1 0 219.292 0.734 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NC1CC([NH+](C)C)C1 ZINC000590355828 347030796 /nfs/dbraw/zinc/03/07/96/347030796.db2.gz IVYVOMIMNSOLTP-UHFFFAOYSA-N 1 0 246.314 0.719 20 30 BCEDRO C=CCCC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106819786 347035109 /nfs/dbraw/zinc/03/51/09/347035109.db2.gz HPAXAAPRXKHRMV-LBPRGKRZSA-N 1 0 239.363 0.705 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600530541 344258716 /nfs/dbraw/zinc/25/87/16/344258716.db2.gz CTJUIMNPOOFUBZ-ZYHUDNBSSA-N 1 0 239.319 0.109 20 30 BCEDRO C=CCOCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634766922 344278074 /nfs/dbraw/zinc/27/80/74/344278074.db2.gz APRGXESNZJTUAY-PWSUYJOCSA-N 1 0 224.304 0.447 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1cn(C)cn1 ZINC000293953349 344281818 /nfs/dbraw/zinc/28/18/18/344281818.db2.gz KIZOAAUUIILOSL-UHFFFAOYSA-N 1 0 234.303 0.105 20 30 BCEDRO N#CCCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600738068 344365987 /nfs/dbraw/zinc/36/59/87/344365987.db2.gz YBHUNOLGJLVTMB-JTQLQIEISA-N 1 0 207.277 0.935 20 30 BCEDRO C[C@@H](O)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600738751 344366457 /nfs/dbraw/zinc/36/64/57/344366457.db2.gz MLLYNDYAARQLTC-NXEZZACHSA-N 1 0 212.293 0.402 20 30 BCEDRO COCC[C@@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600745155 344366990 /nfs/dbraw/zinc/36/69/90/344366990.db2.gz QYLCFXQBINGFCL-WDEREUQCSA-N 1 0 242.319 0.028 20 30 BCEDRO COCC[C@@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600745154 344367014 /nfs/dbraw/zinc/36/70/14/344367014.db2.gz QYLCFXQBINGFCL-QWRGUYRKSA-N 1 0 242.319 0.028 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000600743036 344367324 /nfs/dbraw/zinc/36/73/24/344367324.db2.gz LCUUMFLZYKCFPF-WOPDTQHZSA-N 1 0 238.331 0.792 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCCCOC)CC1 ZINC000056511715 344355123 /nfs/dbraw/zinc/35/51/23/344355123.db2.gz DGZWMTZLCRULIE-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO CCC[C@H](O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600743208 344367597 /nfs/dbraw/zinc/36/75/97/344367597.db2.gz LDKNZSBDYNNOQZ-WDEREUQCSA-N 1 0 226.320 0.792 20 30 BCEDRO CC(C)[C@H](CO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600745929 344368243 /nfs/dbraw/zinc/36/82/43/344368243.db2.gz TXTXAAJQVANIKE-RYUDHWBXSA-N 1 0 240.347 0.895 20 30 BCEDRO COCCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600713134 344361668 /nfs/dbraw/zinc/36/16/68/344361668.db2.gz FPRRBRVRUQNUBR-JTQLQIEISA-N 1 0 212.293 0.667 20 30 BCEDRO CCN(CC)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600713311 344362071 /nfs/dbraw/zinc/36/20/71/344362071.db2.gz HMUIHGSFBYZPDE-LBPRGKRZSA-N 1 0 239.363 0.973 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cc[nH]n2)CC1 ZINC000600719391 344362447 /nfs/dbraw/zinc/36/24/47/344362447.db2.gz SKDJSPILYXTFSV-SNVBAGLBSA-N 1 0 220.276 0.554 20 30 BCEDRO Cc1nccc(C[NH2+]C[C@H](O)CC2(C#N)CC2)n1 ZINC000600717972 344362572 /nfs/dbraw/zinc/36/25/72/344362572.db2.gz DOWIJRNJMGBNBA-GFCCVEGCSA-N 1 0 246.314 0.929 20 30 BCEDRO COC[C@H](C)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600719100 344362619 /nfs/dbraw/zinc/36/26/19/344362619.db2.gz CWMJWZZDBNUWRB-MNOVXSKESA-N 1 0 226.320 0.913 20 30 BCEDRO C[C@H](C#N)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000600729054 344364054 /nfs/dbraw/zinc/36/40/54/344364054.db2.gz WKSNRWXYIKDURL-GHMZBOCLSA-N 1 0 211.309 0.192 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1cc(C)nn1C ZINC000294032147 344309566 /nfs/dbraw/zinc/30/95/66/344309566.db2.gz RNRLEECWPSNGEA-UHFFFAOYSA-N 1 0 248.330 0.413 20 30 BCEDRO N#Cc1cncnc1NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000380738292 344436860 /nfs/dbraw/zinc/43/68/60/344436860.db2.gz KEVWVTSXLDQVGV-SNVBAGLBSA-N 1 0 243.314 0.666 20 30 BCEDRO C[NH2+][C@@H]1CCN(Cc2ccc(C#N)o2)C1 ZINC000600769708 344370631 /nfs/dbraw/zinc/37/06/31/344370631.db2.gz YRCMEBXPVNRBTC-SECBINFHSA-N 1 0 205.261 0.945 20 30 BCEDRO C[NH2+]C1(CNC(=O)C2(C#N)CCC2)CCC1 ZINC000600824248 344380141 /nfs/dbraw/zinc/38/01/41/344380141.db2.gz MCDPPCANWTYKEN-UHFFFAOYSA-N 1 0 221.304 0.939 20 30 BCEDRO C[NH2+]C1(CNC(=O)CC2(C#N)CC2)CCC1 ZINC000600824772 344381076 /nfs/dbraw/zinc/38/10/76/344381076.db2.gz AOEUMENDMXOKMV-UHFFFAOYSA-N 1 0 221.304 0.939 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC1([NH2+]C)CCC1 ZINC000600826632 344381580 /nfs/dbraw/zinc/38/15/80/344381580.db2.gz QZMBVUUMHYZCNU-VIFPVBQESA-N 1 0 209.293 0.794 20 30 BCEDRO C=C(C)C[N@H+](CC)CCNS(C)(=O)=O ZINC000107367584 347050395 /nfs/dbraw/zinc/05/03/95/347050395.db2.gz XRFXQWMALSBBBL-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO C[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C#N)cc1 ZINC000084718369 344463780 /nfs/dbraw/zinc/46/37/80/344463780.db2.gz TTWBBPQIMDUBEY-MRVPVSSYSA-N 1 0 239.300 0.184 20 30 BCEDRO CC(C)CN(CC[NH+](C)C)C(=O)CC#N ZINC000042780433 344466318 /nfs/dbraw/zinc/46/63/18/344466318.db2.gz MZDXRCKXCXGCJJ-UHFFFAOYSA-N 1 0 211.309 0.946 20 30 BCEDRO COC[C@@H](C)C[NH2+]CCn1cnc(C#N)n1 ZINC000381453537 344507066 /nfs/dbraw/zinc/50/70/66/344507066.db2.gz IIIHTZRLDJUAFJ-VIFPVBQESA-N 1 0 223.280 0.022 20 30 BCEDRO CS(=O)(=O)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000135484399 344473551 /nfs/dbraw/zinc/47/35/51/344473551.db2.gz BXKORHSXLKLFLH-UHFFFAOYSA-N 1 0 242.300 0.676 20 30 BCEDRO N#Cc1cc(C(=O)N2CCc3[nH]cnc3C2)c[nH]1 ZINC000590379280 347052877 /nfs/dbraw/zinc/05/28/77/347052877.db2.gz ONFSEZCNXDKBTL-UHFFFAOYSA-N 1 0 241.254 0.808 20 30 BCEDRO N#Cc1cnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)cn1 ZINC000085283629 344516361 /nfs/dbraw/zinc/51/63/61/344516361.db2.gz XEBUOZSOKALRTM-RKDXNWHRSA-N 1 0 215.260 0.004 20 30 BCEDRO N#Cc1cccc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000085283646 344516651 /nfs/dbraw/zinc/51/66/51/344516651.db2.gz WPRDLQKFWIAATH-AOOOYVTPSA-N 1 0 214.272 0.609 20 30 BCEDRO N#Cc1cccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000085283651 344516669 /nfs/dbraw/zinc/51/66/69/344516669.db2.gz WPRDLQKFWIAATH-UWVGGRQHSA-N 1 0 214.272 0.609 20 30 BCEDRO N#CCCC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000381608505 344525150 /nfs/dbraw/zinc/52/51/50/344525150.db2.gz RGKNVXJOJUDDBJ-JTQLQIEISA-N 1 0 219.292 0.818 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCC(=O)N2)C1 ZINC000381628200 344527226 /nfs/dbraw/zinc/52/72/26/344527226.db2.gz NGQBVDIERBLYCF-VWYCJHECSA-N 1 0 221.304 0.937 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1cnccc1C#N ZINC000259026521 344529756 /nfs/dbraw/zinc/52/97/56/344529756.db2.gz SNRDPAGKODXOQH-UHFFFAOYSA-N 1 0 232.287 0.635 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000044809432 344549204 /nfs/dbraw/zinc/54/92/04/344549204.db2.gz VONPZCOPRYOEDS-VIFPVBQESA-N 1 0 211.309 0.850 20 30 BCEDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC000044823691 344551125 /nfs/dbraw/zinc/55/11/25/344551125.db2.gz KSCJGMDDRFMTLA-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000044824038 344551428 /nfs/dbraw/zinc/55/14/28/344551428.db2.gz JEPNYOCMAZLNOY-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC1CC[NH+](CC(=O)NC(=O)NCC)CC1 ZINC000111258798 344585812 /nfs/dbraw/zinc/58/58/12/344585812.db2.gz XVZHNRLBVNFSMU-UHFFFAOYSA-N 1 0 239.319 0.730 20 30 BCEDRO COCC#CCN1CCO[C@@H](CCF)C1 ZINC000626004672 344666111 /nfs/dbraw/zinc/66/61/11/344666111.db2.gz MBFUXIQPFPNUOP-NSHDSACASA-N 1 0 215.268 0.697 20 30 BCEDRO C=C(C)[C@H](CO)N1CCO[C@@H](CCF)C1 ZINC000626004552 344666321 /nfs/dbraw/zinc/66/63/21/344666321.db2.gz JVNLWSKMMDTAFY-QWRGUYRKSA-N 1 0 217.284 0.984 20 30 BCEDRO C=CCCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626080557 344726177 /nfs/dbraw/zinc/72/61/77/344726177.db2.gz KVTUWFPBPYSONM-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO CCN(CC#N)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000574291473 344733571 /nfs/dbraw/zinc/73/35/71/344733571.db2.gz YTQKGCBTSGSSGV-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO C=C(C)CC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626035339 344686298 /nfs/dbraw/zinc/68/62/98/344686298.db2.gz LEERVBOMBUVVPK-UHFFFAOYSA-N 1 0 247.364 0.210 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000259859160 344695266 /nfs/dbraw/zinc/69/52/66/344695266.db2.gz GJWJXRVCCJZNQD-GHMZBOCLSA-N 1 0 223.320 0.993 20 30 BCEDRO CCN1CCN(c2ncncc2C#N)CC1 ZINC000221182396 344696580 /nfs/dbraw/zinc/69/65/80/344696580.db2.gz CHOJOIGJTUXHMW-UHFFFAOYSA-N 1 0 217.276 0.490 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(CC)(CC)OC ZINC000491811219 259379699 /nfs/dbraw/zinc/37/96/99/259379699.db2.gz LBVYMFDFEQUQDA-UHFFFAOYSA-N 1 0 240.347 0.921 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000260172609 344716276 /nfs/dbraw/zinc/71/62/76/344716276.db2.gz UIMPWBAMQGSFLQ-VHSXEESVSA-N 1 0 209.293 0.604 20 30 BCEDRO C#C[C@H](C)N(C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000491708167 347072759 /nfs/dbraw/zinc/07/27/59/347072759.db2.gz HBVMHYFNTMAJNF-SRVKXCTJSA-N 1 0 238.331 0.576 20 30 BCEDRO C[C@@H](O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000448802498 201760438 /nfs/dbraw/zinc/76/04/38/201760438.db2.gz WUWGVAZKMUPANL-SNVBAGLBSA-N 1 0 227.308 0.061 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(O)(CC)CC1 ZINC000075859285 344786153 /nfs/dbraw/zinc/78/61/53/344786153.db2.gz UYQADAUWVBZOTP-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH+]1C[C@@H](C)[C@H](C)C1 ZINC000076111641 344795760 /nfs/dbraw/zinc/79/57/60/344795760.db2.gz LYLIWLPXEIWMPQ-NXEZZACHSA-N 1 0 239.319 0.586 20 30 BCEDRO CC(=O)N[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000076708930 344808643 /nfs/dbraw/zinc/80/86/43/344808643.db2.gz YNVNBONIFNOXIN-NSHDSACASA-N 1 0 209.293 0.891 20 30 BCEDRO C=C(Cl)CNC(=O)NCC[N@@H+](C)CCOC ZINC000077791453 344827672 /nfs/dbraw/zinc/82/76/72/344827672.db2.gz LAZFTLPDXWYZDF-UHFFFAOYSA-N 1 0 249.742 0.616 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)C1(C#N)CCC1 ZINC000153338686 344853468 /nfs/dbraw/zinc/85/34/68/344853468.db2.gz HWQBUUCBGUVQFY-NSHDSACASA-N 1 0 239.319 0.109 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCC[C@@H]21 ZINC000563002665 323079325 /nfs/dbraw/zinc/07/93/25/323079325.db2.gz HVEQXUSKAMUUOS-RVMXOQNASA-N 1 0 237.347 0.581 20 30 BCEDRO CNC(=[NH2+])NC[C@@H]1COC2(CCCCCC2)O1 ZINC000305759063 344895784 /nfs/dbraw/zinc/89/57/84/344895784.db2.gz BKCOBIDFBROIKD-SNVBAGLBSA-N 1 0 241.335 0.986 20 30 BCEDRO C=CCCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000153014556 187295096 /nfs/dbraw/zinc/29/50/96/187295096.db2.gz HJGXOODTRPBQEG-NSHDSACASA-N 1 0 214.309 0.381 20 30 BCEDRO CC#CCC[N@@H+]1CCCN(C(N)=O)CC1 ZINC000155365649 187296096 /nfs/dbraw/zinc/29/60/96/187296096.db2.gz PNFRJRRUVDVKRC-UHFFFAOYSA-N 1 0 209.293 0.486 20 30 BCEDRO CCC1CC([NH2+]CCn2cnc(C#N)n2)C1 ZINC000310001826 168511016 /nfs/dbraw/zinc/51/10/16/168511016.db2.gz FENSYGSLTUAZPB-UHFFFAOYSA-N 1 0 219.292 0.928 20 30 BCEDRO CC(C)(C#N)CCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000174837047 534982348 /nfs/dbraw/zinc/98/23/48/534982348.db2.gz RCVTZBXKTNLWNN-SNVBAGLBSA-N 1 0 239.319 0.502 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000154377268 345025681 /nfs/dbraw/zinc/02/56/81/345025681.db2.gz OAOPYBQCUVWQEL-NSHDSACASA-N 1 0 244.360 0.578 20 30 BCEDRO CC#CCC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000155062692 345065289 /nfs/dbraw/zinc/06/52/89/345065289.db2.gz OMMQNFMDXAWXPT-UHFFFAOYSA-N 1 0 244.360 0.367 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634984542 345168561 /nfs/dbraw/zinc/16/85/61/345168561.db2.gz VBAACCOUFSAOHO-SRVKXCTJSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccc2oc(=O)n(C)c2c1 ZINC000634987325 345169659 /nfs/dbraw/zinc/16/96/59/345169659.db2.gz SBAYJGNQKYEWKI-SNVBAGLBSA-N 1 0 248.282 0.768 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000225716355 345173612 /nfs/dbraw/zinc/17/36/12/345173612.db2.gz DQNQWOMLQFRTOR-NXEZZACHSA-N 1 0 240.303 0.172 20 30 BCEDRO C=CCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000156233347 345140647 /nfs/dbraw/zinc/14/06/47/345140647.db2.gz OGBLHDGJEWEPET-UHFFFAOYSA-N 1 0 237.307 0.752 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000634975052 345149862 /nfs/dbraw/zinc/14/98/62/345149862.db2.gz QGJWEDMRPIHTNP-NSHDSACASA-N 1 0 247.360 0.746 20 30 BCEDRO C=CCCOCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634973642 345152704 /nfs/dbraw/zinc/15/27/04/345152704.db2.gz HCLWZKXMPBVMQN-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@H](C)[NH+](C)C ZINC000678801618 488284999 /nfs/dbraw/zinc/28/49/99/488284999.db2.gz XZYDIFMDYZREGD-VHSXEESVSA-N 1 0 214.309 0.237 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000678800090 488285097 /nfs/dbraw/zinc/28/50/97/488285097.db2.gz AUFOADIZAWXMGU-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@]1(CNC(=O)NCC[NH+]2CCC2)CCOC1 ZINC000328695022 537895745 /nfs/dbraw/zinc/89/57/45/537895745.db2.gz GGWUYFMFZOKJJP-GFCCVEGCSA-N 1 0 241.335 0.622 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C[NH2+]CCOC ZINC000158395335 345328822 /nfs/dbraw/zinc/32/88/22/345328822.db2.gz GCZNILUHISGXCK-SECBINFHSA-N 1 0 200.282 0.303 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1cnn(C)c1C ZINC000134215908 345404471 /nfs/dbraw/zinc/40/44/71/345404471.db2.gz IQHXDSUIDLJEAE-QMMMGPOBSA-N 1 0 239.323 0.168 20 30 BCEDRO C[C@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000159391715 345423476 /nfs/dbraw/zinc/42/34/76/345423476.db2.gz PIOPTFFZRZSARU-UWVGGRQHSA-N 1 0 227.308 0.060 20 30 BCEDRO C=CC[C@H](C)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000159400588 345430319 /nfs/dbraw/zinc/43/03/19/345430319.db2.gz MTHFUALHVMFXDI-JTQLQIEISA-N 1 0 226.320 0.836 20 30 BCEDRO C[C@@H]([NH3+])CNS(=O)(=O)c1ccccc1C#N ZINC000082574953 345438859 /nfs/dbraw/zinc/43/88/59/345438859.db2.gz ZSRFUUVLACFNHA-MRVPVSSYSA-N 1 0 239.300 0.184 20 30 BCEDRO CNC(=[NH2+])NC[C@@](C)(O)c1ccc(F)cc1 ZINC000134183543 345402897 /nfs/dbraw/zinc/40/28/97/345402897.db2.gz SRRKQOQXONLZIU-LLVKDONJSA-N 1 0 225.267 0.567 20 30 BCEDRO C#CCNC(N[C@@H]1CCN(C2CC2)C1)=[NH+]C ZINC000083093997 345508015 /nfs/dbraw/zinc/50/80/15/345508015.db2.gz XSSGFBQEYWUSJA-SNVBAGLBSA-N 1 0 220.320 0.021 20 30 BCEDRO N#CCCc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000600973339 345547403 /nfs/dbraw/zinc/54/74/03/345547403.db2.gz MRQBWKYSUXOHCG-SECBINFHSA-N 1 0 205.265 0.486 20 30 BCEDRO C=CCCC[C@H](C)[NH+]1CCN(CC(N)=O)CC1 ZINC000091514882 345596343 /nfs/dbraw/zinc/59/63/43/345596343.db2.gz GZLPLQGYSXFNRF-LBPRGKRZSA-N 1 0 239.363 0.834 20 30 BCEDRO C=CCCCCCN(C)C(=O)[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000113548494 345674426 /nfs/dbraw/zinc/67/44/26/345674426.db2.gz JWHIMYIKRZZDMP-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000335896500 345787243 /nfs/dbraw/zinc/78/72/43/345787243.db2.gz PCJVHZNQEHRJLI-VHSXEESVSA-N 1 0 209.293 0.556 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC(C)(C)OCCO ZINC000287341631 133567237 /nfs/dbraw/zinc/56/72/37/133567237.db2.gz WULYQILFQRVMHX-UHFFFAOYSA-N 1 0 229.324 0.254 20 30 BCEDRO C=CCNC(=O)CNC1CC[NH+](CCC)CC1 ZINC000236759483 537922284 /nfs/dbraw/zinc/92/22/84/537922284.db2.gz XZSJOIBEIPKJEO-UHFFFAOYSA-N 1 0 239.363 0.753 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](CO)C2)nc1 ZINC000585719795 345981821 /nfs/dbraw/zinc/98/18/21/345981821.db2.gz RUBMZEODZXDLOI-LLVKDONJSA-N 1 0 217.272 0.767 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@@H](C)[NH+](C)C ZINC000635767762 346057873 /nfs/dbraw/zinc/05/78/73/346057873.db2.gz XZYDIFMDYZREGD-NXEZZACHSA-N 1 0 214.309 0.237 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3cccnc3C#N)C[C@H]21 ZINC000329704731 187364163 /nfs/dbraw/zinc/36/41/63/187364163.db2.gz IXLASTHSJXSDST-OLZOCXBDSA-N 1 0 244.298 0.472 20 30 BCEDRO CC#CCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000635748030 346047363 /nfs/dbraw/zinc/04/73/63/346047363.db2.gz YPQBPHILVWKHGX-RKDXNWHRSA-N 1 0 203.245 0.653 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3cccnc3C#N)C[C@@H]21 ZINC000329704733 187364269 /nfs/dbraw/zinc/36/42/69/187364269.db2.gz IXLASTHSJXSDST-STQMWFEESA-N 1 0 244.298 0.472 20 30 BCEDRO N#CCNC(=O)C[NH+]1CCC2(CCC2)CC1 ZINC000586783119 346103872 /nfs/dbraw/zinc/10/38/72/346103872.db2.gz ZXTCROAIGQZVLF-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635798248 346066647 /nfs/dbraw/zinc/06/66/47/346066647.db2.gz YADXDZKXIIERMK-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636005079 346147316 /nfs/dbraw/zinc/14/73/16/346147316.db2.gz BEZCOZVPXGJWRM-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000636005093 346147356 /nfs/dbraw/zinc/14/73/56/346147356.db2.gz BOUHOWATNIIQQS-NXEZZACHSA-N 1 0 214.309 0.380 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636005077 346147440 /nfs/dbraw/zinc/14/74/40/346147440.db2.gz BEZCOZVPXGJWRM-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO CNC(NCc1cccc(C#N)c1)=[NH+]C ZINC000161498544 346226117 /nfs/dbraw/zinc/22/61/17/346226117.db2.gz DFCGIYIHNUBLHT-UHFFFAOYSA-N 1 0 202.261 0.853 20 30 BCEDRO CO[C@H](C)[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000167448799 346247720 /nfs/dbraw/zinc/24/77/20/346247720.db2.gz KONIOJHMNGIYIJ-WDEREUQCSA-N 1 0 225.336 0.987 20 30 BCEDRO N#CCN1CCC([NH2+][C@@H]2CCCOC2)CC1 ZINC000167448689 346247833 /nfs/dbraw/zinc/24/78/33/346247833.db2.gz CJBRHONBCSCDRN-GFCCVEGCSA-N 1 0 223.320 0.743 20 30 BCEDRO C=CCOCC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636096248 346318573 /nfs/dbraw/zinc/31/85/73/346318573.db2.gz USMNVWNDQGERFW-TXEJJXNPSA-N 1 0 238.331 0.932 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1nc(C)ccc1O ZINC000641769023 362708623 /nfs/dbraw/zinc/70/86/23/362708623.db2.gz OCIHXAJECMHCOM-LLVKDONJSA-N 1 0 234.299 0.960 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1conc1C ZINC000641768029 362699403 /nfs/dbraw/zinc/69/94/03/362699403.db2.gz URGKEUYFSXBMPG-NSHDSACASA-N 1 0 208.261 0.847 20 30 BCEDRO C=Cn1cc(C[NH2+][C@@H](CO)CC#CC)cn1 ZINC000641767421 362700785 /nfs/dbraw/zinc/70/07/85/362700785.db2.gz KSNWHRVJKBDGDD-GFCCVEGCSA-N 1 0 219.288 0.848 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cncn1CC ZINC000641767896 362702344 /nfs/dbraw/zinc/70/23/44/362702344.db2.gz SBAUHDXPEACRCI-NSHDSACASA-N 1 0 221.304 0.767 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000641767635 362702906 /nfs/dbraw/zinc/70/29/06/362702906.db2.gz NDRZXJACBVHSAI-MCIONIFRSA-N 1 0 236.359 0.977 20 30 BCEDRO CC#CC[C@H](CO)NCc1nccn1C ZINC000641769191 362704657 /nfs/dbraw/zinc/70/46/57/362704657.db2.gz PLQVONWGZOYZKW-SNVBAGLBSA-N 1 0 207.277 0.284 20 30 BCEDRO C=CCCC[C@H](C)NC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000419151072 192101688 /nfs/dbraw/zinc/10/16/88/192101688.db2.gz LZBAJFSVFGNGQT-VHSXEESVSA-N 1 0 241.335 0.311 20 30 BCEDRO C=CCCC[C@@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419151074 192101693 /nfs/dbraw/zinc/10/16/93/192101693.db2.gz LZBAJFSVFGNGQT-ZJUUUORDSA-N 1 0 241.335 0.311 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)C(=O)NCCC[NH2+]C ZINC000419145148 192101894 /nfs/dbraw/zinc/10/18/94/192101894.db2.gz YIYRBMVGXLCHSG-SNVBAGLBSA-N 1 0 241.335 0.183 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CCCn2cncn2)C1 ZINC000381792037 346405208 /nfs/dbraw/zinc/40/52/08/346405208.db2.gz AJVLESCISBQEES-QWRGUYRKSA-N 1 0 219.292 0.950 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@H](O)CSC ZINC000574911881 346410405 /nfs/dbraw/zinc/41/04/05/346410405.db2.gz HNYAWYPUQXTVIX-JTQLQIEISA-N 1 0 219.350 0.893 20 30 BCEDRO C=CCN(CCC#N)C(=O)[C@H](C)[NH+](C)C ZINC000590409179 347091585 /nfs/dbraw/zinc/09/15/85/347091585.db2.gz GEYQMSWNBRANGK-JTQLQIEISA-N 1 0 209.293 0.865 20 30 BCEDRO CC#CC[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626167017 346454327 /nfs/dbraw/zinc/45/43/27/346454327.db2.gz LNKZPBDDPKKGGI-LLVKDONJSA-N 1 0 244.360 0.271 20 30 BCEDRO N#Cc1nccnc1N1CC([NH+]2CCCC2)C1 ZINC000601193789 346612234 /nfs/dbraw/zinc/61/22/34/346612234.db2.gz PSQQRNJGMUSXLL-UHFFFAOYSA-N 1 0 229.287 0.633 20 30 BCEDRO Cc1nc(C(=O)NC2CC[NH2+]CC2)ccc1C#N ZINC000580206777 346666895 /nfs/dbraw/zinc/66/68/95/346666895.db2.gz QSTUIEIGDRLRGF-UHFFFAOYSA-N 1 0 244.298 0.744 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1cncc(C#N)n1 ZINC000401462568 346723001 /nfs/dbraw/zinc/72/30/01/346723001.db2.gz RNGONEZCFBCPQN-NSHDSACASA-N 1 0 235.291 0.073 20 30 BCEDRO N#Cc1cncc(N2CCC[NH2+]CC2)n1 ZINC000401511771 346765059 /nfs/dbraw/zinc/76/50/59/346765059.db2.gz MPMWNYLDUBEHCP-UHFFFAOYSA-N 1 0 203.249 0.148 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)CC2(C#N)CC2)CC1 ZINC000590125991 346778201 /nfs/dbraw/zinc/77/82/01/346778201.db2.gz HQHGNSJDGKLMRC-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO N#Cc1ccc(CN2CCCC[C@@H]2C(N)=O)nc1 ZINC000580657428 365852892 /nfs/dbraw/zinc/85/28/92/365852892.db2.gz OGFAWPCFQFLGLO-GFCCVEGCSA-N 1 0 244.298 0.793 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)c1cccc(C#N)n1 ZINC000589846384 346742802 /nfs/dbraw/zinc/74/28/02/346742802.db2.gz NFVZFDCHOOPDPE-UHFFFAOYSA-N 1 0 246.314 0.977 20 30 BCEDRO CN(c1cncc(C#N)n1)[C@H](C[NH3+])C1CC1 ZINC000401500605 346751646 /nfs/dbraw/zinc/75/16/46/346751646.db2.gz GVNAFMQNPFJZPY-SNVBAGLBSA-N 1 0 217.276 0.522 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCN(CC(F)F)CC1 ZINC000309624934 347124340 /nfs/dbraw/zinc/12/43/40/347124340.db2.gz IRTGJWHKZZAECW-SECBINFHSA-N 1 0 234.290 0.852 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)C(C)(C)C#N)[C@@H]2C1 ZINC000590445906 347120368 /nfs/dbraw/zinc/12/03/68/347120368.db2.gz ULKPDEATGZNEBQ-NXEZZACHSA-N 1 0 221.304 0.699 20 30 BCEDRO C[C@@H](C#N)C(=O)NCCNc1cc[nH+]cc1 ZINC000309699557 347135593 /nfs/dbraw/zinc/13/55/93/347135593.db2.gz SHYADWRBULHZDS-VIFPVBQESA-N 1 0 218.260 0.769 20 30 BCEDRO CS(=O)(=O)NCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309864679 347189659 /nfs/dbraw/zinc/18/96/59/347189659.db2.gz OABVRQOCFYDTFA-UWVGGRQHSA-N 1 0 245.348 0.208 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)CC#N ZINC000300535638 347206732 /nfs/dbraw/zinc/20/67/32/347206732.db2.gz HUFWTTLWGSANIR-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CN(c3ccncn3)C2)C1 ZINC000601303408 347178406 /nfs/dbraw/zinc/17/84/06/347178406.db2.gz CDSIISZCOFCULC-MNOVXSKESA-N 1 0 243.314 0.947 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000186007506 347222158 /nfs/dbraw/zinc/22/21/58/347222158.db2.gz HOBIXXBOUBNMAD-ZJUUUORDSA-N 1 0 223.320 0.790 20 30 BCEDRO C#CCNC(=O)[C@H]1Cc2ccccc2C[NH2+]1 ZINC000019480800 347229850 /nfs/dbraw/zinc/22/98/50/347229850.db2.gz PHIVZEMOONPISV-GFCCVEGCSA-N 1 0 214.268 0.450 20 30 BCEDRO C#CCNC(=O)[C@@H]1C[C@H]2CCCC[C@@H]2[NH2+]1 ZINC000019516739 347339099 /nfs/dbraw/zinc/33/90/99/347339099.db2.gz BWVGLAMITFDCIA-VWYCJHECSA-N 1 0 206.289 0.657 20 30 BCEDRO C[NH+](C)CC1CN(S(=O)(=O)CCCC#N)C1 ZINC000601423613 347339484 /nfs/dbraw/zinc/33/94/84/347339484.db2.gz DVKXFNLZJZZNDB-UHFFFAOYSA-N 1 0 245.348 0.113 20 30 BCEDRO C=C1CCN(C(=O)C2(OC)CC[NH2+]CC2)CC1 ZINC000382554508 347357350 /nfs/dbraw/zinc/35/73/50/347357350.db2.gz GVNNUHYDRZTIGE-UHFFFAOYSA-N 1 0 238.331 0.934 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@](C)(CO)C(C)C ZINC000336765702 347408378 /nfs/dbraw/zinc/40/83/78/347408378.db2.gz RIULPLMOFZMNIE-NSHDSACASA-N 1 0 214.309 0.285 20 30 BCEDRO C#CCCCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000191958009 347363821 /nfs/dbraw/zinc/36/38/21/347363821.db2.gz HPHCVRNXHNCMSU-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NCC#N)CCS1 ZINC000192179581 347368999 /nfs/dbraw/zinc/36/89/99/347368999.db2.gz OGKBIZOHYKGXOY-SECBINFHSA-N 1 0 227.333 0.454 20 30 BCEDRO CC(C)[C@H](C(=O)N1CC(C#N)C1)[NH+](C)C ZINC000590484995 347369760 /nfs/dbraw/zinc/36/97/60/347369760.db2.gz WKVXUBUMQNWPEB-SNVBAGLBSA-N 1 0 209.293 0.555 20 30 BCEDRO N#CC1CN(C(=O)[C@H]2CCn3ccnc3C2)C1 ZINC000590486141 347376309 /nfs/dbraw/zinc/37/63/09/347376309.db2.gz QMWOZQHMCQSNEM-JTQLQIEISA-N 1 0 230.271 0.427 20 30 BCEDRO CCN([C@@H](C)C#N)S(=O)(=O)CCC[NH+](C)C ZINC000601468181 347391620 /nfs/dbraw/zinc/39/16/20/347391620.db2.gz KKLKCVFSHYXPLD-JTQLQIEISA-N 1 0 247.364 0.502 20 30 BCEDRO C[C@H]1C[C@@H](C(=O)N2CC(C#N)C2)CC[N@@H+]1C ZINC000590491066 347399054 /nfs/dbraw/zinc/39/90/54/347399054.db2.gz RJQROFMSYXHYQI-ONGXEEELSA-N 1 0 221.304 0.699 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC(C[NH+](C)C)C1 ZINC000382155648 347431673 /nfs/dbraw/zinc/43/16/73/347431673.db2.gz IKTSTSISFKVSAR-SNVBAGLBSA-N 1 0 209.293 0.556 20 30 BCEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1C(=O)CSCC#N ZINC000590566167 347469438 /nfs/dbraw/zinc/46/94/38/347469438.db2.gz FWAANPPWLSYSKK-UWVGGRQHSA-N 1 0 241.360 0.794 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)NCC[N@H+]1CC=CCC1 ZINC000590751169 347504054 /nfs/dbraw/zinc/50/40/54/347504054.db2.gz NXDVGHUEMHUALU-YPMHNXCESA-N 1 0 233.315 0.914 20 30 BCEDRO CO/N=C/C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000367701348 347556251 /nfs/dbraw/zinc/55/62/51/347556251.db2.gz FZDHMYQBRVUWER-QSARLWQPSA-N 1 0 227.308 0.561 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617002830 347574224 /nfs/dbraw/zinc/57/42/24/347574224.db2.gz OQIRWNPYGVBTKS-MNOVXSKESA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCC[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000338541814 166263075 /nfs/dbraw/zinc/26/30/75/166263075.db2.gz VWSLYPLWDUIGLT-QWHCGFSZSA-N 1 0 243.347 0.908 20 30 BCEDRO CC[C@H](C(=O)N(CCC#N)CCOC)[NH+](C)C ZINC000591169125 347628443 /nfs/dbraw/zinc/62/84/43/347628443.db2.gz BLHZJQUZOOIDID-LLVKDONJSA-N 1 0 241.335 0.715 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000270877584 166265704 /nfs/dbraw/zinc/26/57/04/166265704.db2.gz MUDSUSPNWZPESK-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO CCC[NH2+]CCNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000591359955 347645175 /nfs/dbraw/zinc/64/51/75/347645175.db2.gz IVVMTJBFDTZKNM-LLVKDONJSA-N 1 0 242.298 0.633 20 30 BCEDRO C[NH2+]CCCNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000591358480 347645272 /nfs/dbraw/zinc/64/52/72/347645272.db2.gz IFGOBYBNDVUFGP-LBPRGKRZSA-N 1 0 238.335 0.931 20 30 BCEDRO CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@](F)(C#N)C1 ZINC000591359855 347645366 /nfs/dbraw/zinc/64/53/66/347645366.db2.gz FPLNXFLKSHOBGD-KOLCDFICSA-N 1 0 242.298 0.617 20 30 BCEDRO C[C@@]1(C#N)CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000591361402 347645690 /nfs/dbraw/zinc/64/56/90/347645690.db2.gz ADELLFOZXIZEDT-WGBDABJCSA-N 1 0 248.330 0.539 20 30 BCEDRO N#CCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000364958220 347606213 /nfs/dbraw/zinc/60/62/13/347606213.db2.gz WZRHVJNEEDVGKD-HBNTYKKESA-N 1 0 221.304 0.876 20 30 BCEDRO CC(C)OCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000591760739 347692486 /nfs/dbraw/zinc/69/24/86/347692486.db2.gz RFUGBPONHUZFOW-GFCCVEGCSA-N 1 0 243.351 0.207 20 30 BCEDRO CC(C)OCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591760740 347692752 /nfs/dbraw/zinc/69/27/52/347692752.db2.gz RFUGBPONHUZFOW-LBPRGKRZSA-N 1 0 243.351 0.207 20 30 BCEDRO CC[C@@H](O)C[NH2+]C1CCN(CC#N)CC1 ZINC000591736036 347694512 /nfs/dbraw/zinc/69/45/12/347694512.db2.gz GITFCTFFASLQPH-LLVKDONJSA-N 1 0 211.309 0.335 20 30 BCEDRO N#CCC[NH2+]CCc1cccc(C(N)=O)c1 ZINC000591735504 347694545 /nfs/dbraw/zinc/69/45/45/347694545.db2.gz QGPQYIHMUZJDPI-UHFFFAOYSA-N 1 0 217.272 0.831 20 30 BCEDRO CSC[C@H](O)C[NH2+]C1CCN(CC#N)CC1 ZINC000591736903 347694593 /nfs/dbraw/zinc/69/45/93/347694593.db2.gz YBDVVSFNMKAFGX-LLVKDONJSA-N 1 0 243.376 0.288 20 30 BCEDRO COC(C)(C)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000591744609 347695396 /nfs/dbraw/zinc/69/53/96/347695396.db2.gz KWOJYOVQSZFRRX-LLVKDONJSA-N 1 0 243.351 0.207 20 30 BCEDRO C[NH+](C)[C@@]1(CNCCC#N)CCSC1 ZINC000591748136 347696081 /nfs/dbraw/zinc/69/60/81/347696081.db2.gz YZCODEIEUUEEKV-SNVBAGLBSA-N 1 0 213.350 0.927 20 30 BCEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCC(C)(C)C#N ZINC000592214339 347762180 /nfs/dbraw/zinc/76/21/80/347762180.db2.gz JHRSDHZXDITAPK-DTWKUNHWSA-N 1 0 226.324 0.961 20 30 BCEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCC1(C#N)CC1 ZINC000592215452 347762883 /nfs/dbraw/zinc/76/28/83/347762883.db2.gz PHBCFSHJGVDGKH-IUCAKERBSA-N 1 0 224.308 0.715 20 30 BCEDRO C=CCCOCCNC(=O)/C=C/C[NH+](C)C ZINC000270286638 166269306 /nfs/dbraw/zinc/26/93/06/166269306.db2.gz UZBRBBPLIXICAW-VOTSOKGWSA-N 1 0 226.320 0.813 20 30 BCEDRO N#Cc1cnccc1CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000592062972 347726170 /nfs/dbraw/zinc/72/61/70/347726170.db2.gz OVKDBQLPDZFRAU-BETUJISGSA-N 1 0 228.299 0.604 20 30 BCEDRO Cc1cc(CN2CC[C@@](O)(CC#N)C2)no1 ZINC000592147302 347740036 /nfs/dbraw/zinc/74/00/36/347740036.db2.gz NLWQUHWWJHFGQJ-NSHDSACASA-N 1 0 221.260 0.834 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CCN1CC[C@](O)(CC#N)C1 ZINC000592150150 347741030 /nfs/dbraw/zinc/74/10/30/347741030.db2.gz AFNZKWMGYCQPPO-QWHCGFSZSA-N 1 0 237.347 0.821 20 30 BCEDRO Cn1cc(CC[N@@H+]2CC[C@@](O)(CC#N)C2)cn1 ZINC000592150740 347741447 /nfs/dbraw/zinc/74/14/47/347741447.db2.gz IFNPTYKAPCPKRI-LBPRGKRZSA-N 1 0 234.303 0.313 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150732 347742240 /nfs/dbraw/zinc/74/22/40/347742240.db2.gz IBPAABVSFFYUBY-VXGBXAGGSA-N 1 0 224.304 0.664 20 30 BCEDRO Cc1cc(C)n(CC[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592151791 347742962 /nfs/dbraw/zinc/74/29/62/347742962.db2.gz RGXPBDFJHUCFBE-ZDUSSCGKSA-N 1 0 248.330 0.850 20 30 BCEDRO CC1(C[N@@H+]2CC[C@@](O)(CC#N)C2)COC1 ZINC000592152363 347743030 /nfs/dbraw/zinc/74/30/30/347743030.db2.gz WKKFMPCTAYCOEW-NSHDSACASA-N 1 0 210.277 0.373 20 30 BCEDRO COC(=O)C1(C[N@@H+]2CC[C@](O)(CC#N)C2)CC1 ZINC000592153800 347744110 /nfs/dbraw/zinc/74/41/10/347744110.db2.gz OYQNRNRIHDNZJD-GFCCVEGCSA-N 1 0 238.287 0.290 20 30 BCEDRO CO[C@@H](C[N@@H+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592154916 347745069 /nfs/dbraw/zinc/74/50/69/347745069.db2.gz WFSGRQHWJJSRJZ-NWDGAFQWSA-N 1 0 224.304 0.762 20 30 BCEDRO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@](O)(CC#N)C2)O1 ZINC000592155305 347745239 /nfs/dbraw/zinc/74/52/39/347745239.db2.gz ZRKOJIPIZQEFGX-IJLUTSLNSA-N 1 0 224.304 0.904 20 30 BCEDRO Cc1cc(C#N)c(=O)n(C[C@@H]2CC[NH2+]C2)c1 ZINC000592167891 347746553 /nfs/dbraw/zinc/74/65/53/347746553.db2.gz PSLYLCLRTIWTAZ-SNVBAGLBSA-N 1 0 217.272 0.638 20 30 BCEDRO N#Cc1c2c(cn(CC3C[NH2+]C3)c1=O)CCC2 ZINC000592166355 347746746 /nfs/dbraw/zinc/74/67/46/347746746.db2.gz DKPZAJSKOCSJQK-UHFFFAOYSA-N 1 0 229.283 0.428 20 30 BCEDRO CCC#C[C@H](C)[N@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592200922 347753087 /nfs/dbraw/zinc/75/30/87/347753087.db2.gz WUYOCERLPSMCKC-TUAOUCFPSA-N 1 0 239.315 0.644 20 30 BCEDRO C=C(CC)C[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592203312 347754893 /nfs/dbraw/zinc/75/48/93/347754893.db2.gz GHKAJEQDWQXOMC-QWRGUYRKSA-N 1 0 227.304 0.808 20 30 BCEDRO C=CCC[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592207362 347757822 /nfs/dbraw/zinc/75/78/22/347757822.db2.gz OUYLYEODLMVOSQ-NXEZZACHSA-N 1 0 213.277 0.418 20 30 BCEDRO N#CC1(CCn2nnnc2C[NH3+])CCCCC1 ZINC000592172943 347758586 /nfs/dbraw/zinc/75/85/86/347758586.db2.gz MMRDREHZXYJODM-UHFFFAOYSA-N 1 0 234.307 0.996 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N2CC(C#N)C2)CC[N@@H+]1C ZINC000592800695 347817266 /nfs/dbraw/zinc/81/72/66/347817266.db2.gz LMSNJZOIJOCAPF-PSASIEDQSA-N 1 0 207.277 0.309 20 30 BCEDRO CC[C@H](C(=O)N1CC[C@](O)(CC#N)C1)[NH+](C)C ZINC000592844846 347821870 /nfs/dbraw/zinc/82/18/70/347821870.db2.gz GIISXULBBUACBW-ZYHUDNBSSA-N 1 0 239.319 0.204 20 30 BCEDRO N#Cc1cnccc1CN1CC[C@H]([NH3+])C1 ZINC000592471499 347790044 /nfs/dbraw/zinc/79/00/44/347790044.db2.gz QAEKPSIQMBENDM-NSHDSACASA-N 1 0 202.261 0.486 20 30 BCEDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccncc2C#N)CCO1 ZINC000592475594 347791571 /nfs/dbraw/zinc/79/15/71/347791571.db2.gz PLHXQIWDAYPUPK-GWCFXTLKSA-N 1 0 246.314 0.501 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000593029961 347841779 /nfs/dbraw/zinc/84/17/79/347841779.db2.gz XRYOEDPAPRWXCW-UWVGGRQHSA-N 1 0 209.293 0.876 20 30 BCEDRO COC(=O)CN(CC#N)C[C@H]1CCC[N@@H+]1C ZINC000593016777 347845141 /nfs/dbraw/zinc/84/51/41/347845141.db2.gz VLXCKMJOINWRNQ-SNVBAGLBSA-N 1 0 225.292 0.079 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCC[C@@H](C)[NH3+] ZINC000178700898 166274924 /nfs/dbraw/zinc/27/49/24/166274924.db2.gz BLVFHDFDXBPLDA-NXEZZACHSA-N 1 0 214.309 0.821 20 30 BCEDRO C=CCCC(=O)N1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592964954 347835545 /nfs/dbraw/zinc/83/55/45/347835545.db2.gz UOOJVXQAVFFFNU-SNVBAGLBSA-N 1 0 240.303 0.316 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000273016114 166275441 /nfs/dbraw/zinc/27/54/41/166275441.db2.gz KDJZAMRDPJYEBX-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCCS(=O)(=O)N1CCCC[C@@H]1C[NH3+] ZINC000237967602 166275926 /nfs/dbraw/zinc/27/59/26/166275926.db2.gz GZITWHCZRSBGHZ-SNVBAGLBSA-N 1 0 232.349 0.706 20 30 BCEDRO C[C@H](CCO)[N@H+](C)CCOCCC#N ZINC000593109193 347860440 /nfs/dbraw/zinc/86/04/40/347860440.db2.gz WEMPUDYBHJJXIM-SNVBAGLBSA-N 1 0 200.282 0.619 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H](CO)CCF)o1 ZINC000593689272 347927420 /nfs/dbraw/zinc/92/74/20/347927420.db2.gz NLDMJGKFQHBHKA-QMMMGPOBSA-N 1 0 212.224 0.961 20 30 BCEDRO N#Cc1cccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)n1 ZINC000593503374 347907168 /nfs/dbraw/zinc/90/71/68/347907168.db2.gz IWRZCYUEHUXNFQ-GFCCVEGCSA-N 1 0 244.298 0.208 20 30 BCEDRO C[NH+](C)CC(=O)NCC1(C#N)CCCC1 ZINC000593777933 347940549 /nfs/dbraw/zinc/94/05/49/347940549.db2.gz GTGBIBFMNRHROL-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000593669666 347925099 /nfs/dbraw/zinc/92/50/99/347925099.db2.gz AKZGILNGVXKTCI-DBIOUOCHSA-N 1 0 221.304 0.922 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000593669669 347925106 /nfs/dbraw/zinc/92/51/06/347925106.db2.gz AKZGILNGVXKTCI-ZNSHCXBVSA-N 1 0 221.304 0.922 20 30 BCEDRO CN(CCC[NH3+])C(=O)C1(C#N)CCCC1 ZINC000593903298 347967415 /nfs/dbraw/zinc/96/74/15/347967415.db2.gz YLPWHZBIQGLDQJ-UHFFFAOYSA-N 1 0 209.293 0.878 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2CC[NH2+]C2)CCCC1 ZINC000593904072 347967829 /nfs/dbraw/zinc/96/78/29/347967829.db2.gz HUBNHUFQEWMJIW-SECBINFHSA-N 1 0 207.277 0.548 20 30 BCEDRO N#Cc1ccc(OCC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000593903892 347968065 /nfs/dbraw/zinc/96/80/65/347968065.db2.gz GFLDOWIDYHRNOB-NSHDSACASA-N 1 0 245.282 0.415 20 30 BCEDRO N#CC1(C(=O)N2CCO[C@H](C[NH3+])C2)CCCC1 ZINC000593905100 347968113 /nfs/dbraw/zinc/96/81/13/347968113.db2.gz LSFNIKBPHYLPDN-SNVBAGLBSA-N 1 0 237.303 0.256 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCCN1 ZINC000593911294 347970202 /nfs/dbraw/zinc/97/02/02/347970202.db2.gz YJCSAUXWVCAJSB-SECBINFHSA-N 1 0 210.281 0.135 20 30 BCEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H]1O ZINC000593970617 347974732 /nfs/dbraw/zinc/97/47/32/347974732.db2.gz YUDFWACNLXQQSP-JOYOIKCWSA-N 1 0 217.272 0.766 20 30 BCEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@@H]1O ZINC000593970616 347974905 /nfs/dbraw/zinc/97/49/05/347974905.db2.gz YUDFWACNLXQQSP-CABZTGNLSA-N 1 0 217.272 0.766 20 30 BCEDRO N#C[C@H]1CC[C@@H](N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000594025191 347991006 /nfs/dbraw/zinc/99/10/06/347991006.db2.gz DGHSQPVUCSJAAY-QNWHQSFQSA-N 1 0 235.331 0.429 20 30 BCEDRO N#C[C@@H]1CC[C@H](N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000594025190 347991278 /nfs/dbraw/zinc/99/12/78/347991278.db2.gz DGHSQPVUCSJAAY-MROQNXINSA-N 1 0 235.331 0.429 20 30 BCEDRO N#CCC[C@@H](C#N)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594041629 347995530 /nfs/dbraw/zinc/99/55/30/347995530.db2.gz CKMONTNMOCHKLW-RWMBFGLXSA-N 1 0 248.330 0.181 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCCC#N)C1 ZINC000594237701 348021773 /nfs/dbraw/zinc/02/17/73/348021773.db2.gz YORVUTLCPUFYFH-PHIMTYICSA-N 1 0 238.335 0.930 20 30 BCEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@@H](O)CO)cc1 ZINC000594516627 348069046 /nfs/dbraw/zinc/06/90/46/348069046.db2.gz BUJGUDXVZRRRAY-CYBMUJFWSA-N 1 0 248.326 0.931 20 30 BCEDRO N#CCN1CCC([NH2+][C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000594583073 348076748 /nfs/dbraw/zinc/07/67/48/348076748.db2.gz UZLWGAGPTONUDB-YPMHNXCESA-N 1 0 236.363 0.834 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N2CC[C@](F)(C#N)C2)C1 ZINC000594342877 348036577 /nfs/dbraw/zinc/03/65/77/348036577.db2.gz MKXUKAPMRAZNKY-JQWIXIFHSA-N 1 0 239.294 0.792 20 30 BCEDRO COCCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594428133 348045112 /nfs/dbraw/zinc/04/51/12/348045112.db2.gz ZPKVAAPRBFWRLA-SNVBAGLBSA-N 1 0 227.308 0.550 20 30 BCEDRO COCC1(NC(=O)[C@H]([NH3+])CCCCC#N)CC1 ZINC000594432618 348045836 /nfs/dbraw/zinc/04/58/36/348045836.db2.gz FJQOVVASXZZUTO-SNVBAGLBSA-N 1 0 239.319 0.693 20 30 BCEDRO CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@H]1CCOC1 ZINC000594434999 348046548 /nfs/dbraw/zinc/04/65/48/348046548.db2.gz YICUEUBRPZRPBJ-WDEREUQCSA-N 1 0 239.319 0.645 20 30 BCEDRO CC[C@@H](O)CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436454 348046631 /nfs/dbraw/zinc/04/66/31/348046631.db2.gz JIKALDSQCDTPOJ-GHMZBOCLSA-N 1 0 241.335 0.675 20 30 BCEDRO CC[C@H](O)CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436457 348046743 /nfs/dbraw/zinc/04/67/43/348046743.db2.gz JIKALDSQCDTPOJ-WDEREUQCSA-N 1 0 241.335 0.675 20 30 BCEDRO Cn1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)cn1 ZINC000594425496 348051412 /nfs/dbraw/zinc/05/14/12/348051412.db2.gz ACAUNVUUADOOJK-JTQLQIEISA-N 1 0 235.291 0.770 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1C(=O)CCCCC#N ZINC000594426563 348052314 /nfs/dbraw/zinc/05/23/14/348052314.db2.gz OXCOMKLTCBYPKB-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cncnc1 ZINC000594469405 348053510 /nfs/dbraw/zinc/05/35/10/348053510.db2.gz WJSKDIWCNGTOPN-JTQLQIEISA-N 1 0 233.275 0.826 20 30 BCEDRO N#CCCCCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000594437721 348053568 /nfs/dbraw/zinc/05/35/68/348053568.db2.gz DUZIJITUGNPTDV-JTQLQIEISA-N 1 0 209.293 0.924 20 30 BCEDRO CN(C(=O)[C@H]([NH3+])CCCCC#N)C1CC(O)C1 ZINC000594468477 348053725 /nfs/dbraw/zinc/05/37/25/348053725.db2.gz MNUCSPDMSNQSRJ-VQXHTEKXSA-N 1 0 239.319 0.379 20 30 BCEDRO N#CCCCCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000594437722 348053807 /nfs/dbraw/zinc/05/38/07/348053807.db2.gz DUZIJITUGNPTDV-SNVBAGLBSA-N 1 0 209.293 0.924 20 30 BCEDRO CC(C)OCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594439034 348054310 /nfs/dbraw/zinc/05/43/10/348054310.db2.gz ZHOGWISZXJTQEC-LLVKDONJSA-N 1 0 241.335 0.939 20 30 BCEDRO COCC1(CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000594448023 348056430 /nfs/dbraw/zinc/05/64/30/348056430.db2.gz ODNHSHOCGVQCHD-SNVBAGLBSA-N 1 0 239.319 0.550 20 30 BCEDRO CSC[C@H](O)C[NH+]1CC(CC#N)C1 ZINC000594715714 348105587 /nfs/dbraw/zinc/10/55/87/348105587.db2.gz ANNNDYKNPNIEID-SECBINFHSA-N 1 0 200.307 0.556 20 30 BCEDRO COC[C@@H](C)OC[C@H](O)C[NH+]1CC(CC#N)C1 ZINC000594715993 348105630 /nfs/dbraw/zinc/10/56/30/348105630.db2.gz FRLPEYRUMFJIHM-ZYHUDNBSSA-N 1 0 242.319 0.244 20 30 BCEDRO C=CCCSCC[NH2+]CCC(N)=O ZINC000594717518 348106977 /nfs/dbraw/zinc/10/69/77/348106977.db2.gz ALSUFCRNACMDGO-UHFFFAOYSA-N 1 0 202.323 0.761 20 30 BCEDRO C[C@H](CCNS(=O)(=O)CCCC#N)[NH+](C)C ZINC000594816443 348114333 /nfs/dbraw/zinc/11/43/33/348114333.db2.gz HVKIFBWNFKNTBO-SNVBAGLBSA-N 1 0 247.364 0.550 20 30 BCEDRO N#Cc1cncc(-c2cn(CCCC[NH3+])nn2)c1 ZINC000594644651 348086159 /nfs/dbraw/zinc/08/61/59/348086159.db2.gz HKMZDEJDOMPQFI-UHFFFAOYSA-N 1 0 242.286 0.951 20 30 BCEDRO CN(CCC[NH3+])Cc1cn(CCCC#N)nn1 ZINC000594648703 348087734 /nfs/dbraw/zinc/08/77/34/348087734.db2.gz BHLHQTQCVJXKBI-UHFFFAOYSA-N 1 0 236.323 0.362 20 30 BCEDRO N#Cc1cccc(-n2cc(C[C@H]([NH3+])CO)nn2)c1 ZINC000594652560 348090563 /nfs/dbraw/zinc/09/05/63/348090563.db2.gz TUVXYLKRFVFZFN-JTQLQIEISA-N 1 0 243.270 0.001 20 30 BCEDRO N#CC1(Cn2cc(C[NH3+])nn2)CCCC1 ZINC000594657897 348093245 /nfs/dbraw/zinc/09/32/45/348093245.db2.gz HZYDDSALVRAQBZ-UHFFFAOYSA-N 1 0 205.265 0.821 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2CCNC2=O)s1 ZINC000594962815 348152357 /nfs/dbraw/zinc/15/23/57/348152357.db2.gz KQCXSDWAIPQAAY-VIFPVBQESA-N 1 0 221.285 0.598 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594994994 348167684 /nfs/dbraw/zinc/16/76/84/348167684.db2.gz JQMNYHSIKTYQMV-IMSYWVGJSA-N 1 0 213.277 0.321 20 30 BCEDRO CNC(=O)C[N@H+](C)CCc1ccc(C#N)cc1 ZINC000595299832 348217876 /nfs/dbraw/zinc/21/78/76/348217876.db2.gz ZGMUYXDBEVMIBF-UHFFFAOYSA-N 1 0 231.299 0.779 20 30 BCEDRO COCC1(N(C)C(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000595255608 348204148 /nfs/dbraw/zinc/20/41/48/348204148.db2.gz GMPGSOBXGCKQOU-JTQLQIEISA-N 1 0 239.319 0.645 20 30 BCEDRO CC[NH2+][C@H](C)CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595265915 348208606 /nfs/dbraw/zinc/20/86/06/348208606.db2.gz XDDKFDFANSTHEZ-PWSUYJOCSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595265828 348208631 /nfs/dbraw/zinc/20/86/31/348208631.db2.gz USWWNMBTAKYQFW-SCZZXKLOSA-N 1 0 210.281 0.279 20 30 BCEDRO C=CCCSCCNC(=O)NCC[NH2+]C ZINC000595267369 348209772 /nfs/dbraw/zinc/20/97/72/348209772.db2.gz IMKLTEKTLHRESF-UHFFFAOYSA-N 1 0 231.365 0.814 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N1CCC(CC#N)CC1 ZINC000595274850 348210454 /nfs/dbraw/zinc/21/04/54/348210454.db2.gz BUYOKAZLYYAQIA-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595275069 348211287 /nfs/dbraw/zinc/21/12/87/348211287.db2.gz FSACDZGDNBXSMP-MWLCHTKSSA-N 1 0 224.308 0.539 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N(C)C[C@H](C)C#N ZINC000595275078 348211337 /nfs/dbraw/zinc/21/13/37/348211337.db2.gz FYTXEEAALZXCAO-RKDXNWHRSA-N 1 0 212.297 0.395 20 30 BCEDRO C[C@@H](C#N)C[N@H+](C[C@@H]1CNC(=O)C1)C1CC1 ZINC000595390024 348242974 /nfs/dbraw/zinc/24/29/74/348242974.db2.gz SLORVCBXWFHFSE-UWVGGRQHSA-N 1 0 221.304 0.747 20 30 BCEDRO N#Cc1ccc(CC[N@H+]2CCOC[C@@H](O)C2)cc1 ZINC000595526267 348271575 /nfs/dbraw/zinc/27/15/75/348271575.db2.gz PHSDBYIPUNNTEJ-AWEZNQCLSA-N 1 0 246.310 0.794 20 30 BCEDRO COC(=O)[C@@H]1CN(CCCC#N)CC[N@H+](C)C1 ZINC000595533570 348275330 /nfs/dbraw/zinc/27/53/30/348275330.db2.gz BIMIMFBROUXYQB-NSHDSACASA-N 1 0 239.319 0.327 20 30 BCEDRO N#Cc1ccc(CC[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1 ZINC000595538728 348276735 /nfs/dbraw/zinc/27/67/35/348276735.db2.gz JQTKBCRNYYFLLF-KBPBESRZSA-N 1 0 246.310 0.386 20 30 BCEDRO N#CCCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595607927 348286924 /nfs/dbraw/zinc/28/69/24/348286924.db2.gz LSMCSBGONWCEDU-NSHDSACASA-N 1 0 219.292 0.904 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000595615873 348288969 /nfs/dbraw/zinc/28/89/69/348288969.db2.gz UJOFFGWGKDBWCB-QWHCGFSZSA-N 1 0 248.330 0.870 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000595621441 348290728 /nfs/dbraw/zinc/29/07/28/348290728.db2.gz VARJGIKMWZYKJM-GHMZBOCLSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000595658100 348297630 /nfs/dbraw/zinc/29/76/30/348297630.db2.gz FQKHNTLSVLMTCL-UWVGGRQHSA-N 1 0 239.319 0.858 20 30 BCEDRO C=C(C)CC[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC000595659561 348298528 /nfs/dbraw/zinc/29/85/28/348298528.db2.gz NSVAFEFNJNJAEL-VHSXEESVSA-N 1 0 213.277 0.873 20 30 BCEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000595658705 348298670 /nfs/dbraw/zinc/29/86/70/348298670.db2.gz HTAWBEMRFRLRLF-VIFPVBQESA-N 1 0 225.292 0.469 20 30 BCEDRO C=CCCC[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC000595660633 348299615 /nfs/dbraw/zinc/29/96/15/348299615.db2.gz CGKPVPWCHDAAJW-VHSXEESVSA-N 1 0 213.277 0.873 20 30 BCEDRO N#CCc1cccc(C(=O)NCC[NH3+])c1 ZINC000308977062 323183093 /nfs/dbraw/zinc/18/30/93/323183093.db2.gz GYMLPXTZCQKVCZ-UHFFFAOYSA-N 1 0 203.245 0.441 20 30 BCEDRO C[N@H+](CCCSCC#N)C[C@@H]1COCCO1 ZINC000595739847 348318777 /nfs/dbraw/zinc/31/87/77/348318777.db2.gz KXRJMCNQFHWZMP-LLVKDONJSA-N 1 0 244.360 0.980 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000268597014 166297080 /nfs/dbraw/zinc/29/70/80/166297080.db2.gz WRFJYMCMYSWFJC-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO CCNC(=O)CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595839770 348373859 /nfs/dbraw/zinc/37/38/59/348373859.db2.gz KXWPNOTXABHFQL-LLVKDONJSA-N 1 0 209.293 0.748 20 30 BCEDRO C[N@H+](C[C@H](O)CN1CC[C@@](C)(C#N)C1)C1CC1 ZINC000595841328 348376324 /nfs/dbraw/zinc/37/63/24/348376324.db2.gz KGEAKGAUSACMOT-STQMWFEESA-N 1 0 237.347 0.677 20 30 BCEDRO N#CC1(CN2CCC([N@@H+]3CC[C@H](O)C3)CC2)CC1 ZINC000595862839 348382642 /nfs/dbraw/zinc/38/26/42/348382642.db2.gz HQNAMAUCYXRNOJ-ZDUSSCGKSA-N 1 0 249.358 0.821 20 30 BCEDRO N#CCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000595868576 348385362 /nfs/dbraw/zinc/38/53/62/348385362.db2.gz QKGIYTYEKSPPHZ-LBPRGKRZSA-N 1 0 223.320 0.431 20 30 BCEDRO N#Cc1nccc(N[C@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000385939717 362912876 /nfs/dbraw/zinc/91/28/76/362912876.db2.gz LXHZDKFOVWQGQP-QWRGUYRKSA-N 1 0 243.314 0.809 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595845056 348354289 /nfs/dbraw/zinc/35/42/89/348354289.db2.gz XVGJUPIDHPDEJC-ZDUSSCGKSA-N 1 0 248.330 0.984 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000669012576 490166162 /nfs/dbraw/zinc/16/61/62/490166162.db2.gz GIOAAFWYVLRNLV-QWRGUYRKSA-N 1 0 226.320 0.332 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000595980107 348415048 /nfs/dbraw/zinc/41/50/48/348415048.db2.gz FTAVDUNTMZAIFN-QXEWZRGKSA-N 1 0 207.277 0.486 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000595980413 348415146 /nfs/dbraw/zinc/41/51/46/348415146.db2.gz HVRROPLEYFIPOW-JBLDHEPKSA-N 1 0 237.303 0.112 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])C1 ZINC000595980414 348415226 /nfs/dbraw/zinc/41/52/26/348415226.db2.gz HVRROPLEYFIPOW-JFGNBEQYSA-N 1 0 237.303 0.112 20 30 BCEDRO CC[C@@H]([NH2+]C)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595981094 348415970 /nfs/dbraw/zinc/41/59/70/348415970.db2.gz MMOKNYHTCWKBDB-KOLCDFICSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@@]2(C)CC[NH2+]C2)C1 ZINC000595982415 348417180 /nfs/dbraw/zinc/41/71/80/348417180.db2.gz UUSKJLHEXSKGSZ-RYUDHWBXSA-N 1 0 221.304 0.748 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)c1cccc(C#N)c1 ZINC000595982224 348417757 /nfs/dbraw/zinc/41/77/57/348417757.db2.gz BTJNESXZCLMPIY-SECBINFHSA-N 1 0 217.272 0.896 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000595983102 348418299 /nfs/dbraw/zinc/41/82/99/348418299.db2.gz YFKLDUNIGNPFMB-ZYHUDNBSSA-N 1 0 221.304 0.748 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000595983175 348418526 /nfs/dbraw/zinc/41/85/26/348418526.db2.gz ZEVZGRWQEVEFMB-GFCCVEGCSA-N 1 0 237.303 0.127 20 30 BCEDRO C=CC[C@@]1(C(=O)NCCC(=O)OC)CCC[NH2+]1 ZINC000595931706 348392867 /nfs/dbraw/zinc/39/28/67/348392867.db2.gz ZTDYXIWUIXELBC-LBPRGKRZSA-N 1 0 240.303 0.364 20 30 BCEDRO CC[C@H]([NH2+]C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000595931576 348393269 /nfs/dbraw/zinc/39/32/69/348393269.db2.gz HVFVXRRXHZAECO-AEJSXWLSSA-N 1 0 209.293 0.793 20 30 BCEDRO C[C@@]1(NC(=O)CCCCC#N)CC[NH2+]C1 ZINC000595987864 348420042 /nfs/dbraw/zinc/42/00/42/348420042.db2.gz YUCTWIDMFHZQNW-LLVKDONJSA-N 1 0 209.293 0.939 20 30 BCEDRO CC(C)[NH2+]CC(=O)Nc1n[nH]cc1C#N ZINC000595932814 348393523 /nfs/dbraw/zinc/39/35/23/348393523.db2.gz RTOQAYAJODDCRN-UHFFFAOYSA-N 1 0 207.237 0.218 20 30 BCEDRO C[NH+](C)CCC[C@@H]1CN(CCC#N)CCO1 ZINC000595904759 348396237 /nfs/dbraw/zinc/39/62/37/348396237.db2.gz KNZLSHYOHXETAH-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]([NH3+])CCSC ZINC000595949269 348403031 /nfs/dbraw/zinc/40/30/31/348403031.db2.gz ZGPOFFFYQGJZDV-JTQLQIEISA-N 1 0 246.376 0.776 20 30 BCEDRO N#Cc1cnc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c(F)c1 ZINC000596013696 348430160 /nfs/dbraw/zinc/43/01/60/348430160.db2.gz KASNPOZBOQAPSZ-MBTKJCJQSA-N 1 0 218.235 0.722 20 30 BCEDRO Cn1ncc(C#N)c1N1CCC[C@@H]([NH+](C)C)C1 ZINC000596105997 348440106 /nfs/dbraw/zinc/44/01/06/348440106.db2.gz RSQUQKGPAMCDSX-LLVKDONJSA-N 1 0 233.319 0.822 20 30 BCEDRO Cn1ncc(C#N)c1N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000596241484 348484489 /nfs/dbraw/zinc/48/44/89/348484489.db2.gz GHDYYWYQWBXICC-CYBMUJFWSA-N 1 0 245.330 0.824 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1c1cc(C#N)cnn1 ZINC000596247442 348486909 /nfs/dbraw/zinc/48/69/09/348486909.db2.gz OZDVWUYVRDBREB-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO Cn1ncc(C#N)c1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596093034 348444858 /nfs/dbraw/zinc/44/48/58/348444858.db2.gz ZYXYIMJPLDKHIX-JTQLQIEISA-N 1 0 231.303 0.940 20 30 BCEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc(C#N)cnn1 ZINC000596177124 348462539 /nfs/dbraw/zinc/46/25/39/348462539.db2.gz DZFREFOFKXKWHA-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO CCN(C(=O)NC[C@H](C)C#N)[C@@H]1CC[N@H+](C)C1 ZINC000596550283 348586233 /nfs/dbraw/zinc/58/62/33/348586233.db2.gz LOPBTOZIDLAHCZ-GHMZBOCLSA-N 1 0 238.335 0.882 20 30 BCEDRO Cc1ccc(N2CC[C@@H]([NH3+])C2)nc1C#N ZINC000420171400 192161946 /nfs/dbraw/zinc/16/19/46/192161946.db2.gz NPKMFXMHWNAIBI-SECBINFHSA-N 1 0 202.261 0.799 20 30 BCEDRO Cc1ccc(N2CC[C@H]([NH3+])C2)nc1C#N ZINC000420171406 192162002 /nfs/dbraw/zinc/16/20/02/192162002.db2.gz NPKMFXMHWNAIBI-VIFPVBQESA-N 1 0 202.261 0.799 20 30 BCEDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@@H](C)C#N ZINC000597084379 348655504 /nfs/dbraw/zinc/65/55/04/348655504.db2.gz YZEUUKFVWKPSGB-AXTSPUMRSA-N 1 0 210.277 0.933 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1C(=O)OC ZINC000268574021 166304499 /nfs/dbraw/zinc/30/44/99/166304499.db2.gz RVDYBVFJBBLASR-QWRGUYRKSA-N 1 0 227.304 0.951 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)CCCF)CC1 ZINC000597163804 348667049 /nfs/dbraw/zinc/66/70/49/348667049.db2.gz AJIXFTRITMEXKC-UHFFFAOYSA-N 1 0 227.283 0.840 20 30 BCEDRO C[C@H](CC#N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000596882497 348628947 /nfs/dbraw/zinc/62/89/47/348628947.db2.gz BWFFQBLZNLFLAA-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO CC(C)(CC#N)CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000597433479 348735103 /nfs/dbraw/zinc/73/51/03/348735103.db2.gz NFCPYYYDZPXTOE-GFCCVEGCSA-N 1 0 238.335 0.977 20 30 BCEDRO CC(C)(CC#N)CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000597433480 348735203 /nfs/dbraw/zinc/73/52/03/348735203.db2.gz NFCPYYYDZPXTOE-LBPRGKRZSA-N 1 0 238.335 0.977 20 30 BCEDRO C[C@@]1(NC(=O)NCC2(C#N)CC2)CC[NH2+]C1 ZINC000597434777 348735751 /nfs/dbraw/zinc/73/57/51/348735751.db2.gz TZADJLHSDXMVMV-SNVBAGLBSA-N 1 0 222.292 0.341 20 30 BCEDRO C[C@]1(NC(=O)NCCCCC#N)CC[NH2+]C1 ZINC000597435506 348735913 /nfs/dbraw/zinc/73/59/13/348735913.db2.gz XTFYJPQJXALUTG-NSHDSACASA-N 1 0 224.308 0.731 20 30 BCEDRO C[C@H](CC#N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000597179191 348680640 /nfs/dbraw/zinc/68/06/40/348680640.db2.gz HMGNLFJVWYARIQ-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO CC(C)(CCC#N)C[N@@H+]1CCC(CO)(CO)C1 ZINC000597219219 348690899 /nfs/dbraw/zinc/69/08/99/348690899.db2.gz OEIYWTVJCCFQEL-UHFFFAOYSA-N 1 0 240.347 0.993 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)[C@H](C)CC#N ZINC000597225656 348695127 /nfs/dbraw/zinc/69/51/27/348695127.db2.gz FYCWQJMYLCKMAM-NXEZZACHSA-N 1 0 211.309 0.993 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)[C@@H](C)CC#N ZINC000597229736 348697602 /nfs/dbraw/zinc/69/76/02/348697602.db2.gz IWCYYZICSSNOGE-JTQLQIEISA-N 1 0 211.309 0.993 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(C)[C@@H](C)CC#N ZINC000308811669 348699527 /nfs/dbraw/zinc/69/95/27/348699527.db2.gz HKWVMIYVYVNLTG-QWRGUYRKSA-N 1 0 213.325 0.533 20 30 BCEDRO CNC(=O)CN(C)Cc1cc(C#N)cs1 ZINC000597249463 348707741 /nfs/dbraw/zinc/70/77/41/348707741.db2.gz JNYACZCKLYKLGG-UHFFFAOYSA-N 1 0 223.301 0.798 20 30 BCEDRO C[C@H](CC#N)C(=O)NCCOCC[NH+](C)C ZINC000597475991 348744740 /nfs/dbraw/zinc/74/47/40/348744740.db2.gz DDKWFVAYDPZIQB-SNVBAGLBSA-N 1 0 227.308 0.231 20 30 BCEDRO C[C@@H](CC#N)C(=O)N(C)CCC[NH+](C)C ZINC000597479737 348745395 /nfs/dbraw/zinc/74/53/95/348745395.db2.gz VCXDJYWDGHEVIN-JTQLQIEISA-N 1 0 211.309 0.946 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CC[C@](F)(C#N)C2)CC1 ZINC000597548006 348755358 /nfs/dbraw/zinc/75/53/58/348755358.db2.gz MXSVPKZPIWPRBN-JTQLQIEISA-N 1 0 225.267 0.545 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CC[NH+]2CCC1CC2 ZINC000597549940 348755706 /nfs/dbraw/zinc/75/57/06/348755706.db2.gz PRCASLKFXXENEZ-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO C[C@H](CC#N)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000597539856 348758421 /nfs/dbraw/zinc/75/84/21/348758421.db2.gz HNMCBPSXOXGJDO-LLVKDONJSA-N 1 0 239.319 0.375 20 30 BCEDRO C[NH+]1CC2(C1)CCN(C(=O)CC1(C#N)CC1)C2 ZINC000597568842 348761455 /nfs/dbraw/zinc/76/14/55/348761455.db2.gz QQRAYETUHPYMAQ-UHFFFAOYSA-N 1 0 233.315 0.844 20 30 BCEDRO C[NH+](C)Cc1cccc(C(=O)N[C@@H](C#N)CO)c1 ZINC000597748426 348813331 /nfs/dbraw/zinc/81/33/31/348813331.db2.gz ZDIFRBVDTLYSIX-LBPRGKRZSA-N 1 0 247.298 0.362 20 30 BCEDRO CCN(C(=O)CSCC#N)[C@H]1CC[N@H+](C)C1 ZINC000597944568 348847069 /nfs/dbraw/zinc/84/70/69/348847069.db2.gz FIZKIZJXWBFLOS-JTQLQIEISA-N 1 0 241.360 0.796 20 30 BCEDRO CC(C)(C)[N@@H+]1CC[C@H](NC(=O)CC#N)C1 ZINC000597925861 348837918 /nfs/dbraw/zinc/83/79/18/348837918.db2.gz XJQYXDFMOALQPB-VIFPVBQESA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCOCC(=O)NCCC[NH2+]CC ZINC000308868370 348980466 /nfs/dbraw/zinc/98/04/66/348980466.db2.gz HPWCMNJEFKIJPN-UHFFFAOYSA-N 1 0 200.282 0.305 20 30 BCEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)C(C)(C)C(N)=O ZINC000598618277 349001872 /nfs/dbraw/zinc/00/18/72/349001872.db2.gz NUNMFCMVLPLXLS-SECBINFHSA-N 1 0 241.335 0.483 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)[C@@H](C)C#N)CC[NH2+]1 ZINC000598572021 348993635 /nfs/dbraw/zinc/99/36/35/348993635.db2.gz KALQNZUDCIDFKM-VHSXEESVSA-N 1 0 209.293 0.602 20 30 BCEDRO CCC[N@H+](CCO)C[C@@H](O)CC(C)(C)C#N ZINC000598585337 348994554 /nfs/dbraw/zinc/99/45/54/348994554.db2.gz ANOGILPXUHRYMJ-NSHDSACASA-N 1 0 228.336 0.991 20 30 BCEDRO CN1CCC[N@H+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598586147 348995132 /nfs/dbraw/zinc/99/51/32/348995132.db2.gz DNNDMZKSUZOTEQ-LBPRGKRZSA-N 1 0 239.363 0.925 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(CO)CC1 ZINC000598590259 348996669 /nfs/dbraw/zinc/99/66/69/348996669.db2.gz UAAIIGTXHSVXRQ-GFCCVEGCSA-N 1 0 240.347 0.991 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000598592170 348997628 /nfs/dbraw/zinc/99/76/28/348997628.db2.gz GSKPCFLSCCTIFQ-MNOVXSKESA-N 1 0 226.320 0.601 20 30 BCEDRO C[C@H](O)CC[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598593818 348998389 /nfs/dbraw/zinc/99/83/89/348998389.db2.gz WDQMSSFHYVTGSS-WDEREUQCSA-N 1 0 228.336 0.990 20 30 BCEDRO C[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H]1CO ZINC000598607045 349007246 /nfs/dbraw/zinc/00/72/46/349007246.db2.gz LGNKXWXZJHQEFU-GRYCIOLGSA-N 1 0 240.347 0.990 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCCO ZINC000598704037 349022624 /nfs/dbraw/zinc/02/26/24/349022624.db2.gz LXSDYBXKCZPIQV-SECBINFHSA-N 1 0 200.282 0.259 20 30 BCEDRO Cn1ccnc1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598719086 349027013 /nfs/dbraw/zinc/02/70/13/349027013.db2.gz GBLGMDZKDARYID-JTQLQIEISA-N 1 0 236.319 0.810 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)c2cccc(C#N)n2)C1 ZINC000598720825 349027631 /nfs/dbraw/zinc/02/76/31/349027631.db2.gz SQFVOGLPLFHXAM-UHFFFAOYSA-N 1 0 244.298 0.776 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H]1CCOC1 ZINC000598720219 349027799 /nfs/dbraw/zinc/02/77/99/349027799.db2.gz MDHCCEBQACXNQC-GHMZBOCLSA-N 1 0 226.320 0.913 20 30 BCEDRO COC[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)OC ZINC000598722992 349028616 /nfs/dbraw/zinc/02/86/16/349028616.db2.gz CIMQLZKTAIRVQA-WDEREUQCSA-N 1 0 244.335 0.538 20 30 BCEDRO CNC(=O)C[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598727370 349030061 /nfs/dbraw/zinc/03/00/61/349030061.db2.gz HHUHHHFCEUXZAC-UWVGGRQHSA-N 1 0 241.335 0.401 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000598728683 349031073 /nfs/dbraw/zinc/03/10/73/349031073.db2.gz FGXHIBPZEKNVHM-TUAOUCFPSA-N 1 0 238.331 0.814 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCCOCCO ZINC000598728914 349031395 /nfs/dbraw/zinc/03/13/95/349031395.db2.gz GJAHEIVLKJJAIV-LLVKDONJSA-N 1 0 244.335 0.276 20 30 BCEDRO COCC(COC)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598728928 349031436 /nfs/dbraw/zinc/03/14/36/349031436.db2.gz XLCANIDQUNBSOJ-NSHDSACASA-N 1 0 244.335 0.538 20 30 BCEDRO CC[C@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730206 349032034 /nfs/dbraw/zinc/03/20/34/349032034.db2.gz RXYUKPAHVMAMGZ-VHSXEESVSA-N 1 0 214.309 0.648 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCCCO ZINC000598730458 349032576 /nfs/dbraw/zinc/03/25/76/349032576.db2.gz VUPFHWAWACZDRA-SNVBAGLBSA-N 1 0 214.309 0.649 20 30 BCEDRO Cn1cc(C[NH2+]C[C@H](O)CC(C)(C)C#N)cn1 ZINC000598700650 349034243 /nfs/dbraw/zinc/03/42/43/349034243.db2.gz FBTOUERFVWFGHU-LLVKDONJSA-N 1 0 236.319 0.810 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000599070230 349087658 /nfs/dbraw/zinc/08/76/58/349087658.db2.gz JJRXMFPUTPLBQO-QEYWKRMJSA-N 1 0 207.277 0.532 20 30 BCEDRO C[C@@H](CNC(=O)Cc1ccc(C#N)nc1)[NH+](C)C ZINC000599045843 349088609 /nfs/dbraw/zinc/08/86/09/349088609.db2.gz KIZIZRXQIPRRFA-JTQLQIEISA-N 1 0 246.314 0.562 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000599084389 349097295 /nfs/dbraw/zinc/09/72/95/349097295.db2.gz BZWOVGWMJZIRRO-FRRDWIJNSA-N 1 0 237.347 0.725 20 30 BCEDRO CN(Cc1cc[nH]n1)C[C@@H](O)CC1(C#N)CC1 ZINC000599293577 349148785 /nfs/dbraw/zinc/14/87/85/349148785.db2.gz ZZAACDPPPHVXGM-NSHDSACASA-N 1 0 234.303 0.896 20 30 BCEDRO CC(C)[N@@H+]1CC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC000386079926 362939889 /nfs/dbraw/zinc/93/98/89/362939889.db2.gz GZUNOKRVCDINEK-NSHDSACASA-N 1 0 245.330 0.912 20 30 BCEDRO N#Cc1ccncc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599199840 349117268 /nfs/dbraw/zinc/11/72/68/349117268.db2.gz SGNIZBWEHGAFQX-NSHDSACASA-N 1 0 232.287 0.432 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000248515709 349136430 /nfs/dbraw/zinc/13/64/30/349136430.db2.gz GEXJOFNZPVRNMT-VXGBXAGGSA-N 1 0 229.320 0.661 20 30 BCEDRO Cc1ccc(C[NH+](CCO)CCO)cc1C#N ZINC000599284027 349137813 /nfs/dbraw/zinc/13/78/13/349137813.db2.gz KQUBBTJUCUWOCW-UHFFFAOYSA-N 1 0 234.299 0.653 20 30 BCEDRO N#CC1(C[C@H](O)C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000599303345 349142297 /nfs/dbraw/zinc/14/22/97/349142297.db2.gz BJFHWXQEAJUZAZ-SDDRHHMPSA-N 1 0 236.315 0.904 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000599437362 349176914 /nfs/dbraw/zinc/17/69/14/349176914.db2.gz OVQOWVDQKGJGFN-GHMZBOCLSA-N 1 0 226.320 0.934 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000273495828 192395559 /nfs/dbraw/zinc/39/55/59/192395559.db2.gz OGWVVMDWXFOXPX-JTQLQIEISA-N 1 0 238.287 0.828 20 30 BCEDRO C[C@H]1C[C@@H]1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000599434270 349174100 /nfs/dbraw/zinc/17/41/00/349174100.db2.gz WPPMIFMJRLWSRU-WDEREUQCSA-N 1 0 221.304 0.700 20 30 BCEDRO C=CCOCCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000659530856 538035833 /nfs/dbraw/zinc/03/58/33/538035833.db2.gz VHXIFLOBMPESPT-JTQLQIEISA-N 1 0 229.324 0.616 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599563041 349218847 /nfs/dbraw/zinc/21/88/47/349218847.db2.gz HTHKRCDGYRZBAH-PWSUYJOCSA-N 1 0 243.303 0.187 20 30 BCEDRO C[N@H+](CCCCC#N)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644637 349239731 /nfs/dbraw/zinc/23/97/31/349239731.db2.gz LINJFXSLNOHNMC-AOOOYVTPSA-N 1 0 209.293 0.876 20 30 BCEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1C[C@@H](O)C1 ZINC000599654289 349235324 /nfs/dbraw/zinc/23/53/24/349235324.db2.gz GFIJAXWXAVCRPP-TUAOUCFPSA-N 1 0 240.347 0.990 20 30 BCEDRO CCC(O)(CC)C[N@H+](C)CC(=O)NCC#N ZINC000599673406 349240908 /nfs/dbraw/zinc/24/09/08/349240908.db2.gz MYSKSBGDSVKJIL-UHFFFAOYSA-N 1 0 227.308 0.109 20 30 BCEDRO C[C@@H](C(N)=O)N1CCc2c(CC#N)cccc2C1 ZINC000599685224 349243539 /nfs/dbraw/zinc/24/35/39/349243539.db2.gz APFACVWFGFTDEI-JTQLQIEISA-N 1 0 243.310 0.985 20 30 BCEDRO CCN(CC[NH3+])C(=O)NCC(C)(C)C#N ZINC000599917179 349270541 /nfs/dbraw/zinc/27/05/41/349270541.db2.gz GULXSWPTSYSRNX-UHFFFAOYSA-N 1 0 212.297 0.526 20 30 BCEDRO C[C@H]1CC[C@@H](NC(=O)NCC(C)(C)C#N)C[NH2+]1 ZINC000599916405 349270559 /nfs/dbraw/zinc/27/05/59/349270559.db2.gz BAWYFOHBMPVKFN-VHSXEESVSA-N 1 0 238.335 0.976 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)C[C@H](C)C#N ZINC000599932842 349272532 /nfs/dbraw/zinc/27/25/32/349272532.db2.gz CLTVUCXTUQZBFP-OUAUKWLOSA-N 1 0 238.335 0.928 20 30 BCEDRO CCC(C#N)(CC)C(=O)N[C@H](CO)C[NH+](C)C ZINC000599941556 349273279 /nfs/dbraw/zinc/27/32/79/349273279.db2.gz WZDLBPQGMLYMMD-JTQLQIEISA-N 1 0 241.335 0.355 20 30 BCEDRO C[C@H](CC#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599991543 349278161 /nfs/dbraw/zinc/27/81/61/349278161.db2.gz KMPFFPBFFIEWQJ-ZNSHCXBVSA-N 1 0 221.304 0.555 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]21 ZINC000599999571 349278839 /nfs/dbraw/zinc/27/88/39/349278839.db2.gz FZJFLXBEXVHPBH-IAZYJMLFSA-N 1 0 244.298 0.518 20 30 BCEDRO CC1(C)CN(C(=O)c2ccc(C#N)nc2)CC[NH2+]1 ZINC000357342047 349333359 /nfs/dbraw/zinc/33/33/59/349333359.db2.gz LPBMFAHBDUPGON-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@H](C)[NH+](C)C)C(=O)OC ZINC000601783043 349342399 /nfs/dbraw/zinc/34/23/99/349342399.db2.gz ULKQRESVONXMFR-VHSXEESVSA-N 1 0 242.319 0.561 20 30 BCEDRO CC[C@@H]1[C@@H](C(=O)N2CC(C#N)C2)CC[N@@H+]1C ZINC000601603889 349311468 /nfs/dbraw/zinc/31/14/68/349311468.db2.gz WAFWTYVUJRDDBF-WDEREUQCSA-N 1 0 221.304 0.699 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000601967453 349404425 /nfs/dbraw/zinc/40/44/25/349404425.db2.gz JKSHKINBQYEFPR-RKDXNWHRSA-N 1 0 248.273 0.647 20 30 BCEDRO CN(C(=O)C[NH+](C)C)[C@H]1CCC[C@@H]1C#N ZINC000601807772 349360338 /nfs/dbraw/zinc/36/03/38/349360338.db2.gz IRLSVXAKKNASAO-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO CN(C(=O)C[NH+](C)C)[C@H]1CCC[C@H]1C#N ZINC000601807768 349360352 /nfs/dbraw/zinc/36/03/52/349360352.db2.gz IRLSVXAKKNASAO-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971344 349407750 /nfs/dbraw/zinc/40/77/50/349407750.db2.gz BEYGPKRCVZDUPM-GRYCIOLGSA-N 1 0 238.331 0.865 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1C ZINC000070831283 190987840 /nfs/dbraw/zinc/98/78/40/190987840.db2.gz DKBIMKLAVDPFIZ-VWYCJHECSA-N 1 0 208.305 0.903 20 30 BCEDRO CCN(CC#N)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602080220 349430020 /nfs/dbraw/zinc/43/00/20/349430020.db2.gz LVBCTYBHPBOVNE-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO Cc1cc(NC(=O)[C@@H](C)[NH+](C)C)n(CCC#N)n1 ZINC000602080812 349430984 /nfs/dbraw/zinc/43/09/84/349430984.db2.gz ZAYBRMYDPXKIRH-SNVBAGLBSA-N 1 0 249.318 0.994 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)NC2(C#N)CCC2)C1 ZINC000602082896 349432118 /nfs/dbraw/zinc/43/21/18/349432118.db2.gz QCOZQLLLNUMGTH-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000602084567 349433057 /nfs/dbraw/zinc/43/30/57/349433057.db2.gz SWQACHGRSLHSNI-JTQLQIEISA-N 1 0 223.320 0.946 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1cccc(F)c1C#N ZINC000602015652 349417376 /nfs/dbraw/zinc/41/73/76/349417376.db2.gz FSEJEJDUCRAVIO-SNVBAGLBSA-N 1 0 238.262 0.794 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000132347610 191031902 /nfs/dbraw/zinc/03/19/02/191031902.db2.gz RWYKZFXCIWYSPO-LBPRGKRZSA-N 1 0 238.331 0.886 20 30 BCEDRO CC#CC[NH2+]C1(CC(=O)OC)CCOCC1 ZINC000154519981 191077739 /nfs/dbraw/zinc/07/77/39/191077739.db2.gz FSZCTKWRGIOYPI-UHFFFAOYSA-N 1 0 225.288 0.712 20 30 BCEDRO C=C(C)C[N@H+](CCO)CCN1CCOCC1 ZINC000304729199 490385836 /nfs/dbraw/zinc/38/58/36/490385836.db2.gz QPYMDZPHZDYIOD-UHFFFAOYSA-N 1 0 228.336 0.189 20 30 BCEDRO C=C(C)CNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000334948980 350225508 /nfs/dbraw/zinc/22/55/08/350225508.db2.gz DKURLLGIORTQMV-VHSXEESVSA-N 1 0 211.309 0.860 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN(C)C[C@@H](C)C#N ZINC000309298833 350270030 /nfs/dbraw/zinc/27/00/30/350270030.db2.gz XSAFLVXQQPEXRG-RYUDHWBXSA-N 1 0 227.352 0.779 20 30 BCEDRO CCC[C@@H](C#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000386229701 362952805 /nfs/dbraw/zinc/95/28/05/362952805.db2.gz LYUPCZPEHTYHHQ-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC#CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000365554609 350345835 /nfs/dbraw/zinc/34/58/35/350345835.db2.gz UAVPIQNBFCHRCQ-CHWSQXEVSA-N 1 0 222.332 0.541 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000335324819 350355213 /nfs/dbraw/zinc/35/52/13/350355213.db2.gz CNPITSDDJOIABY-WDEREUQCSA-N 1 0 244.360 0.434 20 30 BCEDRO C[C@H]1C[C@@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000040221871 350358773 /nfs/dbraw/zinc/35/87/73/350358773.db2.gz DZOCYAYMVYAYRZ-UWVGGRQHSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@H]1C[C@@H](Nc2cc(C#N)ncn2)CC[NH2+]1 ZINC000309379587 350361577 /nfs/dbraw/zinc/36/15/77/350361577.db2.gz CSPYJHZZLWLUCN-BDAKNGLRSA-N 1 0 217.276 0.901 20 30 BCEDRO N#CCC1(O)CN(C(=O)C23CCC[NH+]2CCC3)C1 ZINC000365603928 350365990 /nfs/dbraw/zinc/36/59/90/350365990.db2.gz SZHVLIGRQRNFNO-UHFFFAOYSA-N 1 0 249.314 0.102 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1CC[C@H]([NH3+])C1 ZINC000158235897 191100798 /nfs/dbraw/zinc/10/07/98/191100798.db2.gz CIMZSYKFLQHXSN-SFYZADRCSA-N 1 0 202.685 0.983 20 30 BCEDRO CC#CCCN1CCC[C@@H](S(C)(=O)=O)C1 ZINC000336670665 350434428 /nfs/dbraw/zinc/43/44/28/350434428.db2.gz FWCXVKKZAZNQCO-LLVKDONJSA-N 1 0 229.345 0.909 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000336642992 350413239 /nfs/dbraw/zinc/41/32/39/350413239.db2.gz BEJLHYVEJVDWPM-JTQLQIEISA-N 1 0 232.349 0.563 20 30 BCEDRO C[N@H+](CCCC#N)CCN1CCOCC1 ZINC000336643504 350414927 /nfs/dbraw/zinc/41/49/27/350414927.db2.gz CPVSJKJMMNJIQP-UHFFFAOYSA-N 1 0 211.309 0.554 20 30 BCEDRO C=C(C)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000336649094 350418176 /nfs/dbraw/zinc/41/81/76/350418176.db2.gz QHUGUOWAIWVOPU-UHFFFAOYSA-N 1 0 232.349 0.530 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000563994817 323342077 /nfs/dbraw/zinc/34/20/77/323342077.db2.gz SQTZCNVQAHVUAP-AAEUAGOBSA-N 1 0 240.347 0.866 20 30 BCEDRO CC(C)[C@@H](C(=O)N1CC(O)(CC#N)C1)[NH+](C)C ZINC000356572233 535129665 /nfs/dbraw/zinc/12/96/65/535129665.db2.gz DSYXMFUYYRCYEV-JTQLQIEISA-N 1 0 239.319 0.060 20 30 BCEDRO C=CC[C@H](C)NC(=O)CNC(=O)[C@H]([NH3+])C(C)C ZINC000336719026 350472935 /nfs/dbraw/zinc/47/29/35/350472935.db2.gz QCCAXMYZHFYESB-GXSJLCMTSA-N 1 0 241.335 0.167 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000304213771 350634204 /nfs/dbraw/zinc/63/42/04/350634204.db2.gz ISTBITUNRZAGOF-VXGBXAGGSA-N 1 0 238.331 0.884 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[NH+](CC(C)C)CC1 ZINC000304220322 350716766 /nfs/dbraw/zinc/71/67/66/350716766.db2.gz LXGRMKBKNFQXQG-GFCCVEGCSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC000216460824 350730781 /nfs/dbraw/zinc/73/07/81/350730781.db2.gz VQEAXYZJNAPEMI-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO CC#CC[N@@H+](C)C[C@H](O)CO[C@@H](C)COC ZINC000339755114 350818867 /nfs/dbraw/zinc/81/88/67/350818867.db2.gz WCRCMPPKSYUKJK-RYUDHWBXSA-N 1 0 229.320 0.354 20 30 BCEDRO CC#CC[N@H+](C)C[C@H](O)COCC(C)C ZINC000339754593 350818960 /nfs/dbraw/zinc/81/89/60/350818960.db2.gz SKKQVBUSJMNGQA-LBPRGKRZSA-N 1 0 213.321 0.975 20 30 BCEDRO Cc1cc(C#N)cnc1C(=O)NC[C@H](C)[NH+](C)C ZINC000577599222 366012598 /nfs/dbraw/zinc/01/25/98/366012598.db2.gz XGXBASXNWQFPRY-JTQLQIEISA-N 1 0 246.314 0.942 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CO)[C@@H]2CCCO2)C1 ZINC000336682615 350907170 /nfs/dbraw/zinc/90/71/70/350907170.db2.gz PXGRMQAKNHBTEB-KXNHARMFSA-N 1 0 224.304 0.808 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](CC#N)C1 ZINC000397714815 350965327 /nfs/dbraw/zinc/96/53/27/350965327.db2.gz QHAKMNGCHIGZBF-QWHCGFSZSA-N 1 0 239.363 0.925 20 30 BCEDRO CN1CC[C@@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000397600238 350957313 /nfs/dbraw/zinc/95/73/13/350957313.db2.gz LQHASOFCEMALGT-WDEREUQCSA-N 1 0 221.304 0.843 20 30 BCEDRO C=CCOCCC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000336715605 351101470 /nfs/dbraw/zinc/10/14/70/351101470.db2.gz VMLVAJGCMTWWCN-NWDGAFQWSA-N 1 0 229.320 0.709 20 30 BCEDRO C=CCOCCC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000336715606 351101503 /nfs/dbraw/zinc/10/15/03/351101503.db2.gz VMLVAJGCMTWWCN-RYUDHWBXSA-N 1 0 229.320 0.709 20 30 BCEDRO CCN(C[C@@H](C)C#N)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336704470 351069703 /nfs/dbraw/zinc/06/97/03/351069703.db2.gz KQORBTAQMWIAEW-AAEUAGOBSA-N 1 0 239.363 0.923 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N2CC(CC#N)C2)C1 ZINC000260134275 351072797 /nfs/dbraw/zinc/07/27/97/351072797.db2.gz OPIWLCMDDXBZKQ-JTQLQIEISA-N 1 0 207.277 0.310 20 30 BCEDRO CNC(NC[C@H]1CCCSC1)=[NH+]C ZINC000306966942 351385414 /nfs/dbraw/zinc/38/54/14/351385414.db2.gz FZUBJBXSHCLNPF-MRVPVSSYSA-N 1 0 201.339 0.924 20 30 BCEDRO C[NH+](C)CCCNc1nccc(C#N)n1 ZINC000231896139 351442635 /nfs/dbraw/zinc/44/26/35/351442635.db2.gz DSCLYSMVHXYIJN-UHFFFAOYSA-N 1 0 205.265 0.712 20 30 BCEDRO N#Cc1ccnc(NCC[C@H]2CCC[NH2+]2)n1 ZINC000231944374 351475286 /nfs/dbraw/zinc/47/52/86/351475286.db2.gz JSCTYBLLSJYUOQ-SECBINFHSA-N 1 0 217.276 0.902 20 30 BCEDRO N#CCCCNc1ncnc(-n2cccn2)c1N ZINC000273322397 351517974 /nfs/dbraw/zinc/51/79/74/351517974.db2.gz KNLCRFADJYRXHX-UHFFFAOYSA-N 1 0 243.274 0.960 20 30 BCEDRO CC(C)(O)CCNC(=[NH2+])Nc1ccccn1 ZINC000274777468 351581138 /nfs/dbraw/zinc/58/11/38/351581138.db2.gz NGOUICOUADDMBE-UHFFFAOYSA-N 1 0 222.292 0.969 20 30 BCEDRO C=CCC[C@H](O)C[N@H+](C)CCNC(C)=O ZINC000577629698 366027143 /nfs/dbraw/zinc/02/71/43/366027143.db2.gz IYWPJYRJPOOCCX-NSHDSACASA-N 1 0 214.309 0.381 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CCCOCCO)C1 ZINC000336728335 351558582 /nfs/dbraw/zinc/55/85/82/351558582.db2.gz IBBVXURHRUSPQY-QWRGUYRKSA-N 1 0 212.293 0.667 20 30 BCEDRO C=CCNC(=O)[C@H]([NH3+])Cc1cccc(OC)c1 ZINC000637870917 351737342 /nfs/dbraw/zinc/73/73/42/351737342.db2.gz GNARIEPAVFFGGQ-GFCCVEGCSA-N 1 0 234.299 0.867 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637871066 351737365 /nfs/dbraw/zinc/73/73/65/351737365.db2.gz ZEFHQNIMXLERPK-WCQYABFASA-N 1 0 238.331 0.954 20 30 BCEDRO CC[NH+](CC)CCCNS(=O)(=O)[C@@H](C)C#N ZINC000088475286 351803074 /nfs/dbraw/zinc/80/30/74/351803074.db2.gz AJPHQKZUAWMSQL-JTQLQIEISA-N 1 0 247.364 0.550 20 30 BCEDRO CCNC(=[NH2+])NCc1ncnn1-c1ccccc1 ZINC000278545834 351769299 /nfs/dbraw/zinc/76/92/99/351769299.db2.gz NPZPZLMWCJCDIF-UHFFFAOYSA-N 1 0 244.302 0.692 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@H]2[C@H]3COC[C@H]32)cc1C#N ZINC000375741574 180649758 /nfs/dbraw/zinc/64/97/58/180649758.db2.gz JFGYPKFAUHNYGQ-XYYAHUGASA-N 1 0 231.299 0.879 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1CNC(NC)=[NH+]C ZINC000280656148 351855187 /nfs/dbraw/zinc/85/51/87/351855187.db2.gz WWYOBUCVNJBVSZ-VHSXEESVSA-N 1 0 211.309 0.762 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638004047 351882563 /nfs/dbraw/zinc/88/25/63/351882563.db2.gz WGBRTFFVZFHDRQ-QXEWZRGKSA-N 1 0 212.293 0.444 20 30 BCEDRO C=CC1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000637994937 351872793 /nfs/dbraw/zinc/87/27/93/351872793.db2.gz YWNJXXNGQMHBQJ-CYBMUJFWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000637994995 351873282 /nfs/dbraw/zinc/87/32/82/351873282.db2.gz ZYFCMSIGRZYMEN-UHFFFAOYSA-N 1 0 237.347 0.316 20 30 BCEDRO N#CCCCC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000336734441 351888265 /nfs/dbraw/zinc/88/82/65/351888265.db2.gz NCSKLQUQTRWXFO-MNOVXSKESA-N 1 0 212.293 0.810 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000336735502 351909117 /nfs/dbraw/zinc/90/91/17/351909117.db2.gz OISOXUUHBOFSMZ-NXEZZACHSA-N 1 0 233.333 0.090 20 30 BCEDRO CO/N=C/C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000283028895 351955690 /nfs/dbraw/zinc/95/56/90/351955690.db2.gz QZLXXQZSKRYPCK-OQLLNIDSSA-N 1 0 249.314 0.997 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000267625703 187573943 /nfs/dbraw/zinc/57/39/43/187573943.db2.gz FPXJMSPVCVVBMH-OUAUKWLOSA-N 1 0 208.305 0.712 20 30 BCEDRO CCn1cc(CNC(=[NH2+])N[C@H](C)COC)cn1 ZINC000285097075 352021333 /nfs/dbraw/zinc/02/13/33/352021333.db2.gz OIMNRDUSFAAPCI-SECBINFHSA-N 1 0 239.323 0.342 20 30 BCEDRO Cc1cc(C)n(CCCNC2=[NH+]C[C@H](C)N2)n1 ZINC000285133945 352023725 /nfs/dbraw/zinc/02/37/25/352023725.db2.gz QTXBMDACCRLFJZ-JTQLQIEISA-N 1 0 235.335 0.827 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627016588 363115495 /nfs/dbraw/zinc/11/54/95/363115495.db2.gz NSPJTBUHRINGMV-NSHDSACASA-N 1 0 235.331 0.984 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](C(N)=O)C1 ZINC000618887273 352158049 /nfs/dbraw/zinc/15/80/49/352158049.db2.gz RGTYDLBCCAPAAY-NXEZZACHSA-N 1 0 209.293 0.733 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627017641 363116381 /nfs/dbraw/zinc/11/63/81/363116381.db2.gz XVGPXGPEEZYROK-WDEREUQCSA-N 1 0 223.320 0.840 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC[C@H]1C ZINC000088696668 187613539 /nfs/dbraw/zinc/61/35/39/187613539.db2.gz LGKLEIOGQSVXLF-MNOVXSKESA-N 1 0 208.305 0.904 20 30 BCEDRO CNC(=[NH2+])NC[C@H]1COc2ccccc21 ZINC000288772828 352164395 /nfs/dbraw/zinc/16/43/95/352164395.db2.gz VCQNTEZPYPRSHI-QMMMGPOBSA-N 1 0 205.261 0.697 20 30 BCEDRO C=C1CCN(C(=O)[C@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638381666 352193835 /nfs/dbraw/zinc/19/38/35/352193835.db2.gz NXLSHQNKEHUFGU-AAEUAGOBSA-N 1 0 238.331 0.932 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(OC)nc1OC ZINC000290692035 352236402 /nfs/dbraw/zinc/23/64/02/352236402.db2.gz RHFMDNSYSWFUMU-UHFFFAOYSA-N 1 0 238.291 0.523 20 30 BCEDRO CNC(NC[C@@]1(CO)C[C@@H]1c1ccccc1)=[NH+]C ZINC000290714961 352236800 /nfs/dbraw/zinc/23/68/00/352236800.db2.gz UKLFOJQSMQIEBG-TZMCWYRMSA-N 1 0 247.342 0.947 20 30 BCEDRO CCCNC(=[NH2+])NCc1ncccc1N(C)C ZINC000290721947 352237884 /nfs/dbraw/zinc/23/78/84/352237884.db2.gz VEJWZJRJZUWJJG-UHFFFAOYSA-N 1 0 235.335 0.962 20 30 BCEDRO C=CCCCCCNC(=O)[C@H]1OCC[C@H]1[NH3+] ZINC000638394566 352200694 /nfs/dbraw/zinc/20/06/94/352200694.db2.gz FVSAHDDIFBPZEW-MNOVXSKESA-N 1 0 226.320 0.965 20 30 BCEDRO C=CCCCCCNC(=O)CN1CC[NH2+]CC1 ZINC000638394321 352200989 /nfs/dbraw/zinc/20/09/89/352200989.db2.gz AWKXAPPLKLIZLU-UHFFFAOYSA-N 1 0 239.363 0.754 20 30 BCEDRO C=CCOCCCNC(=O)CCC1C[NH2+]C1 ZINC000638416168 352223818 /nfs/dbraw/zinc/22/38/18/352223818.db2.gz UQABVBOZTIQJFD-UHFFFAOYSA-N 1 0 226.320 0.695 20 30 BCEDRO C=CCOCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638424110 352231205 /nfs/dbraw/zinc/23/12/05/352231205.db2.gz HXIRGRAHXKHIDP-SNVBAGLBSA-N 1 0 210.277 0.353 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000613374861 363150552 /nfs/dbraw/zinc/15/05/52/363150552.db2.gz JRDHJZFVWZRULR-GWCFXTLKSA-N 1 0 238.331 0.690 20 30 BCEDRO C=CC(C)(C)CCNC(=O)C[NH2+]CCOC ZINC000638454898 352264214 /nfs/dbraw/zinc/26/42/14/352264214.db2.gz NMYDIXXRWNFRHF-UHFFFAOYSA-N 1 0 228.336 0.941 20 30 BCEDRO C=CC(C)(C)CCNC(=O)C1(O)C[NH2+]C1 ZINC000638455565 352265898 /nfs/dbraw/zinc/26/58/98/352265898.db2.gz XZPDHKYOMABEQL-UHFFFAOYSA-N 1 0 212.293 0.039 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)C[C@@H](C[NH3+])OC)C1 ZINC000638471633 352280338 /nfs/dbraw/zinc/28/03/38/352280338.db2.gz KCDIULJNNQYSPK-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)C[C@H](C[NH3+])OC)C1 ZINC000638471634 352280470 /nfs/dbraw/zinc/28/04/70/352280470.db2.gz KCDIULJNNQYSPK-WDEREUQCSA-N 1 0 226.320 0.775 20 30 BCEDRO COCCNC(=[NH2+])NCc1occc1C ZINC000291861019 352292293 /nfs/dbraw/zinc/29/22/93/352292293.db2.gz GPCXDLZIYGXOBU-UHFFFAOYSA-N 1 0 211.265 0.639 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)Cc1ncnn1C ZINC000411634739 191199915 /nfs/dbraw/zinc/19/99/15/191199915.db2.gz ARKKQIIMLQUERG-UHFFFAOYSA-N 1 0 237.351 0.755 20 30 BCEDRO N#CC1(CC[N@@H+]2C[C@@H](O)[C@@H](O)C2)CCCCC1 ZINC000411642920 191202363 /nfs/dbraw/zinc/20/23/63/191202363.db2.gz ZGRIOBPRZLHGDC-TXEJJXNPSA-N 1 0 238.331 0.888 20 30 BCEDRO C=CCN(C)CC[N@@H+](CC)C[C@](C)(O)C(C)=O ZINC000411649564 191202826 /nfs/dbraw/zinc/20/28/26/191202826.db2.gz RNRDTPBLOASOQP-ZDUSSCGKSA-N 1 0 242.363 0.766 20 30 BCEDRO CC[C@@H](C#N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000044825952 352442480 /nfs/dbraw/zinc/44/24/80/352442480.db2.gz MKJHZAMBASNTSW-ZJUUUORDSA-N 1 0 211.309 0.993 20 30 BCEDRO CC[C@@H](C#N)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000044824037 352436060 /nfs/dbraw/zinc/43/60/60/352436060.db2.gz JEPNYOCMAZLNOY-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[C@@H](C)[NH2+]Cc1cnc(N)nc1N ZINC000638611707 352451264 /nfs/dbraw/zinc/45/12/64/352451264.db2.gz XDDSLMJTTVLNJW-SSDOTTSWSA-N 1 0 207.281 0.356 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(C)C(C)C ZINC000411781097 191210105 /nfs/dbraw/zinc/21/01/05/191210105.db2.gz BNGUUGKUZAWYLW-MNOVXSKESA-N 1 0 226.320 0.786 20 30 BCEDRO N#CCC[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000411773184 191210410 /nfs/dbraw/zinc/21/04/10/191210410.db2.gz SLEWOHQWJIWAAW-NEPJUHHUSA-N 1 0 224.304 0.810 20 30 BCEDRO N#CCC[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000411773190 191210807 /nfs/dbraw/zinc/21/08/07/191210807.db2.gz SLEWOHQWJIWAAW-VXGBXAGGSA-N 1 0 224.304 0.810 20 30 BCEDRO C=CCCC(=O)NC1(C[NH3+])CCOCC1 ZINC000638635199 352475966 /nfs/dbraw/zinc/47/59/66/352475966.db2.gz RVMZPMSTCSICEK-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1cncn1C ZINC000336743172 352488306 /nfs/dbraw/zinc/48/83/06/352488306.db2.gz XTTBFXZBKFSHJM-JTQLQIEISA-N 1 0 209.293 0.694 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)OC ZINC000411798852 191212178 /nfs/dbraw/zinc/21/21/78/191212178.db2.gz XQJBECUZONMYGR-ZJUUUORDSA-N 1 0 213.277 0.873 20 30 BCEDRO C=CCNC(=O)CN1CCO[C@H](C2CCC2)C1 ZINC000411866115 191225191 /nfs/dbraw/zinc/22/51/91/191225191.db2.gz VKCALUROYIVJHP-LBPRGKRZSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCCC[N@H+]1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000411909719 191229830 /nfs/dbraw/zinc/22/98/30/191229830.db2.gz ROXLXIGIBISKOR-GFCCVEGCSA-N 1 0 240.347 0.989 20 30 BCEDRO CC#CCN1CC[NH+](C(COC)COC)CC1 ZINC000411862310 191221715 /nfs/dbraw/zinc/22/17/15/191221715.db2.gz OTOFNQIHNMLSIZ-UHFFFAOYSA-N 1 0 240.347 0.289 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411949775 191232545 /nfs/dbraw/zinc/23/25/45/191232545.db2.gz NLEQNDRDOYIANR-GFCCVEGCSA-N 1 0 240.347 0.989 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)C1(OC)CCC1 ZINC000412020743 191237661 /nfs/dbraw/zinc/23/76/61/191237661.db2.gz LZBQFIAWRJYZHJ-SNVBAGLBSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638771426 352712539 /nfs/dbraw/zinc/71/25/39/352712539.db2.gz ZBSTZWMYGLLNTO-HBNTYKKESA-N 1 0 226.320 0.834 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[NH+]2CCC1CC2 ZINC000334241309 352829504 /nfs/dbraw/zinc/82/95/04/352829504.db2.gz PHSSPMQFXINOTB-ZDUSSCGKSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCSCC[NH2+][C@@H](C)CC(N)=O ZINC000267281438 187913124 /nfs/dbraw/zinc/91/31/24/187913124.db2.gz VLFZNCAPMRSJDL-QMMMGPOBSA-N 1 0 202.323 0.759 20 30 BCEDRO CNC(=O)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336748816 352980399 /nfs/dbraw/zinc/98/03/99/352980399.db2.gz CYPPZNRGNMQQBI-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cccc(F)c1N ZINC000638847304 353027593 /nfs/dbraw/zinc/02/75/93/353027593.db2.gz OIMYVNCXGMGCJG-UHFFFAOYSA-N 1 0 237.278 0.800 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000638830130 353009011 /nfs/dbraw/zinc/00/90/11/353009011.db2.gz MCUXGKIJCHCDKE-XQQFMLRXSA-N 1 0 243.347 0.812 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)NCC[NH2+]C)C1 ZINC000627072146 363202844 /nfs/dbraw/zinc/20/28/44/363202844.db2.gz PBKDVUWMBVKLGY-JTQLQIEISA-N 1 0 211.309 0.813 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC([C@@H](C)O)CC1 ZINC000078643110 166366495 /nfs/dbraw/zinc/36/64/95/166366495.db2.gz UIDNSKXLARDILH-SNVBAGLBSA-N 1 0 226.320 0.381 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000398658053 353124822 /nfs/dbraw/zinc/12/48/22/353124822.db2.gz HCAGHYSFYCFURR-JTQLQIEISA-N 1 0 221.304 0.700 20 30 BCEDRO N#Cc1ncn(CC[NH+]2CCCCC2)n1 ZINC000060060292 188012830 /nfs/dbraw/zinc/01/28/30/188012830.db2.gz RJGUSPRWCMGQKP-UHFFFAOYSA-N 1 0 205.265 0.636 20 30 BCEDRO C=CCCC(=O)N(CCOC)CC[NH+](C)C ZINC000264171968 188021229 /nfs/dbraw/zinc/02/12/29/188021229.db2.gz KTKQFJUUFNMYLP-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C#CCCNC(NCc1ccco1)=[NH+]C ZINC000073840397 353118902 /nfs/dbraw/zinc/11/89/02/353118902.db2.gz DWGSMRXRNDLXKY-UHFFFAOYSA-N 1 0 205.261 0.968 20 30 BCEDRO C#CCN1CCN(CN2C[C@@H](C)CC2=O)CC1 ZINC000113239372 353157621 /nfs/dbraw/zinc/15/76/21/353157621.db2.gz HKFWBPNMQCYHQV-LBPRGKRZSA-N 1 0 235.331 0.063 20 30 BCEDRO CO[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC000336760021 353170058 /nfs/dbraw/zinc/17/00/58/353170058.db2.gz JKFCAPITDNPAAV-NXEZZACHSA-N 1 0 225.292 0.173 20 30 BCEDRO CC(C)[C@H](C#N)N1CC[NH+](CC(C)(C)O)CC1 ZINC000609538119 353166743 /nfs/dbraw/zinc/16/67/43/353166743.db2.gz HVVUHXPWUXVARC-LBPRGKRZSA-N 1 0 239.363 0.923 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NC(=O)N[C@@H](C)CCO)C1 ZINC000330900799 353196613 /nfs/dbraw/zinc/19/66/13/353196613.db2.gz WNSMCPVGAVVPNZ-QWRGUYRKSA-N 1 0 243.351 0.745 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC1CC[NH+](CC)CC1 ZINC000330843659 353192703 /nfs/dbraw/zinc/19/27/03/353192703.db2.gz KVXYOVRTKHZJAD-CYBMUJFWSA-N 1 0 240.347 0.914 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)NCc1nccn1C ZINC000331072240 353215708 /nfs/dbraw/zinc/21/57/08/353215708.db2.gz SZRCCZQOHNGKHZ-UHFFFAOYSA-N 1 0 239.323 0.328 20 30 BCEDRO CCOCC[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330955523 353203670 /nfs/dbraw/zinc/20/36/70/353203670.db2.gz UBVYOCGDUPMHHJ-SECBINFHSA-N 1 0 215.297 0.231 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@H+](CCCC(=O)OC)C1 ZINC000330962104 353204775 /nfs/dbraw/zinc/20/47/75/353204775.db2.gz YNTGBXPXZPKKMF-SECBINFHSA-N 1 0 243.307 0.147 20 30 BCEDRO CCC[N@H+](C)CC(=O)NC1(C#N)CCOCC1 ZINC000330915799 353206150 /nfs/dbraw/zinc/20/61/50/353206150.db2.gz UODQNXUUHKNBHK-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO N#CCNC(=O)CN1CCC[C@@H](c2ncc[nH]2)C1 ZINC000331001316 353210395 /nfs/dbraw/zinc/21/03/95/353210395.db2.gz QMZRDSPPGZAZRW-SNVBAGLBSA-N 1 0 247.302 0.229 20 30 BCEDRO C[C@H]1OCC[C@@H]1[N@H+](CCO)CCCC#N ZINC000331148759 353222306 /nfs/dbraw/zinc/22/23/06/353222306.db2.gz HKRLGNJEVYQDMI-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO COCC[NH+]1CCC(NC(=O)NCCF)CC1 ZINC000331221157 353231458 /nfs/dbraw/zinc/23/14/58/353231458.db2.gz AQYUNCCRTOZUPV-UHFFFAOYSA-N 1 0 247.314 0.570 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@H](C)C1 ZINC000263680432 166375751 /nfs/dbraw/zinc/37/57/51/166375751.db2.gz ICMKEQHNIPKIEN-UWVGGRQHSA-N 1 0 239.319 0.729 20 30 BCEDRO CC1CCN(C(=[NH2+])NCC2(CO)COC2)CC1 ZINC000160401339 353262819 /nfs/dbraw/zinc/26/28/19/353262819.db2.gz PHDDYLOEEVBSCO-UHFFFAOYSA-N 1 0 241.335 0.042 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H](C[NH2+]C)C1 ZINC000070799960 353262845 /nfs/dbraw/zinc/26/28/45/353262845.db2.gz KAXLSADFIMMHJY-WDEREUQCSA-N 1 0 225.336 0.218 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@H](C[NH2+]C)C1 ZINC000070799964 353262858 /nfs/dbraw/zinc/26/28/58/353262858.db2.gz KAXLSADFIMMHJY-GHMZBOCLSA-N 1 0 225.336 0.218 20 30 BCEDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000359772087 188242024 /nfs/dbraw/zinc/24/20/24/188242024.db2.gz WCMXWOBFIAEXEH-GFCCVEGCSA-N 1 0 246.314 0.607 20 30 BCEDRO C=C(Cl)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000266176316 188261327 /nfs/dbraw/zinc/26/13/27/188261327.db2.gz AYOATYIWQGPCCI-UHFFFAOYSA-N 1 0 239.706 0.891 20 30 BCEDRO C#CCN(CC)C(=O)C[N@H+](CC)C1CC1 ZINC000269724950 188261895 /nfs/dbraw/zinc/26/18/95/188261895.db2.gz YPCQFLWPLQOYGH-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO CC#CC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000277399078 188266515 /nfs/dbraw/zinc/26/65/15/188266515.db2.gz KWERSYRHKLCQMI-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC1CC[NH+](C)CC1 ZINC000278498566 188266533 /nfs/dbraw/zinc/26/65/33/188266533.db2.gz ABMVXNXREIXDKC-LBPRGKRZSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000279949607 188267771 /nfs/dbraw/zinc/26/77/71/188267771.db2.gz OLDNAVBJFZHPCO-GHMZBOCLSA-N 1 0 224.304 0.141 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)[C@@H]2CCCO2)CC1 ZINC000040221730 188291476 /nfs/dbraw/zinc/29/14/76/188291476.db2.gz WSLDGESOYHSXLN-JTQLQIEISA-N 1 0 237.303 0.270 20 30 BCEDRO C=CCCC[N@@H+](C)CCC(=O)NC(=O)NC ZINC000076737765 353340864 /nfs/dbraw/zinc/34/08/64/353340864.db2.gz RXVIGYVEZWQRPS-UHFFFAOYSA-N 1 0 227.308 0.730 20 30 BCEDRO C=C(C)CNC(=O)NC1CC[NH+](C)CC1 ZINC000156364248 188333207 /nfs/dbraw/zinc/33/32/07/188333207.db2.gz VVPLTYBQNQDSFI-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO CC[NH+]1CCC(N(C)CC(=O)NCC#N)CC1 ZINC000077249254 353353317 /nfs/dbraw/zinc/35/33/17/353353317.db2.gz WQJKYIOVIPCRHK-UHFFFAOYSA-N 1 0 238.335 0.042 20 30 BCEDRO C=CCN(C(=O)C[C@H]1C[NH2+]CCO1)C1CC1 ZINC000131311460 353373318 /nfs/dbraw/zinc/37/33/18/353373318.db2.gz GUGCWKAFMCEWDG-NSHDSACASA-N 1 0 224.304 0.542 20 30 BCEDRO CC[N@H+](CC(=O)N1CCO[C@H](C#N)C1)C1CC1 ZINC000132177768 353378433 /nfs/dbraw/zinc/37/84/33/353378433.db2.gz OSQDBJLEZRXVNS-LLVKDONJSA-N 1 0 237.303 0.222 20 30 BCEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)N1CC(CO)C1 ZINC000330109983 538116917 /nfs/dbraw/zinc/11/69/17/538116917.db2.gz PYJPZRDCAOFLRD-JTQLQIEISA-N 1 0 239.319 0.061 20 30 BCEDRO COCC[N@@H+]1CCC[C@H](NC(=O)CC#N)C1 ZINC000398969901 353398593 /nfs/dbraw/zinc/39/85/93/353398593.db2.gz VIEGKVDJYHFNNQ-JTQLQIEISA-N 1 0 225.292 0.127 20 30 BCEDRO COCC[N@@H+]1CCC[C@@H](NC(=O)CC#N)C1 ZINC000398969902 353398705 /nfs/dbraw/zinc/39/87/05/353398705.db2.gz VIEGKVDJYHFNNQ-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)CCCSC ZINC000281308452 353441727 /nfs/dbraw/zinc/44/17/27/353441727.db2.gz HWVRNDCWNAAKGQ-UHFFFAOYSA-N 1 0 216.350 0.974 20 30 BCEDRO C[C@@H](CNC(=O)c1ccc(C#N)n1C)[NH+](C)C ZINC000412395107 191280081 /nfs/dbraw/zinc/28/00/81/191280081.db2.gz QTVJTJSAOLJSFL-VIFPVBQESA-N 1 0 234.303 0.577 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000245401179 166383326 /nfs/dbraw/zinc/38/33/26/166383326.db2.gz DKGTYJBZPCKPQY-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+]C(C)(C)CC(N)=O)C1=O ZINC000281505022 353449682 /nfs/dbraw/zinc/44/96/82/353449682.db2.gz YHGLFYJVEPWXFP-SECBINFHSA-N 1 0 239.319 0.017 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@H](C)COC)C1=O ZINC000281895637 353456047 /nfs/dbraw/zinc/45/60/47/353456047.db2.gz FEYFVWWBPOCFAD-GHMZBOCLSA-N 1 0 226.320 0.740 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[NH+](C)C ZINC000279795282 188383812 /nfs/dbraw/zinc/38/38/12/188383812.db2.gz VQLCRIIQLDAGMT-GHMZBOCLSA-N 1 0 226.320 0.645 20 30 BCEDRO Cc1[nH]c(C#N)cc1C(=O)NC[C@H](C)[NH+](C)C ZINC000412396071 191279621 /nfs/dbraw/zinc/27/96/21/191279621.db2.gz UOEPACISHJVIOM-QMMMGPOBSA-N 1 0 234.303 0.875 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=O)C[NH+](C)C ZINC000281171443 353436747 /nfs/dbraw/zinc/43/67/47/353436747.db2.gz BFNUESMSTPGXEC-JQWIXIFHSA-N 1 0 226.320 0.645 20 30 BCEDRO COC(=O)CC[N@@H+]1CCN(CC#N)[C@@H](C)C1 ZINC000182086766 353459705 /nfs/dbraw/zinc/45/97/05/353459705.db2.gz JZDITBSERHDKQL-JTQLQIEISA-N 1 0 225.292 0.079 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000279700476 166383455 /nfs/dbraw/zinc/38/34/55/166383455.db2.gz GYPFWJZULRKTNY-ZJUUUORDSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](C)O)C1=O ZINC000281994675 353460403 /nfs/dbraw/zinc/46/04/03/353460403.db2.gz NCYRZNJZCYGBSL-VHSXEESVSA-N 1 0 212.293 0.086 20 30 BCEDRO C=CC[N@@H+](CCC)[C@@H]1CC(=O)N(C)C1=O ZINC000282463342 353479859 /nfs/dbraw/zinc/47/98/59/353479859.db2.gz KAVPCIJUKHMIJZ-SECBINFHSA-N 1 0 210.277 0.642 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@]1(OC)CCOC1 ZINC000639099793 353512745 /nfs/dbraw/zinc/51/27/45/353512745.db2.gz JLXQDAHKEGRPHF-GFCCVEGCSA-N 1 0 229.320 0.926 20 30 BCEDRO C=CC[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284643595 353519355 /nfs/dbraw/zinc/51/93/55/353519355.db2.gz UPHUOCLFADUIIR-NSHDSACASA-N 1 0 222.292 0.291 20 30 BCEDRO CC#CC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000283785832 353504631 /nfs/dbraw/zinc/50/46/31/353504631.db2.gz OIIOTTZXHWSITJ-JTQLQIEISA-N 1 0 206.289 0.776 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CO)c1ccccc1 ZINC000183770682 353580970 /nfs/dbraw/zinc/58/09/70/353580970.db2.gz LYMJYNBTBDVOSJ-GFCCVEGCSA-N 1 0 234.299 0.612 20 30 BCEDRO C#CCNC(=O)NCCC[NH+]1CCCCC1 ZINC000287919500 353594014 /nfs/dbraw/zinc/59/40/14/353594014.db2.gz VULUNCKOFMDERX-UHFFFAOYSA-N 1 0 223.320 0.795 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000193647468 353597021 /nfs/dbraw/zinc/59/70/21/353597021.db2.gz XQPNHYMPBHHJFC-GMTAPVOTSA-N 1 0 226.320 0.428 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286058025 353556353 /nfs/dbraw/zinc/55/63/53/353556353.db2.gz FVCZXUIDRYZANL-OUAUKWLOSA-N 1 0 226.320 0.367 20 30 BCEDRO C#CC[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000135408314 353559549 /nfs/dbraw/zinc/55/95/49/353559549.db2.gz DJQHCAXVISBDEN-UHFFFAOYSA-N 1 0 221.304 0.499 20 30 BCEDRO C=CCCC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192657884 353561711 /nfs/dbraw/zinc/56/17/11/353561711.db2.gz DONUQXXWAHQZJW-GFCCVEGCSA-N 1 0 237.303 0.627 20 30 BCEDRO N#Cc1ccc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)cc1 ZINC000252410148 363237808 /nfs/dbraw/zinc/23/78/08/363237808.db2.gz LGBFFOLWSCMLNA-GDNZZTSVSA-N 1 0 242.282 0.898 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289499958 353630292 /nfs/dbraw/zinc/63/02/92/353630292.db2.gz UBKZTZQNIGOBBJ-SECBINFHSA-N 1 0 220.276 0.301 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000289828795 353640010 /nfs/dbraw/zinc/64/00/10/353640010.db2.gz MMXICCLBTMLSPD-LLVKDONJSA-N 1 0 246.314 0.913 20 30 BCEDRO C#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000289845886 353640375 /nfs/dbraw/zinc/64/03/75/353640375.db2.gz VAMWGECRDUEVME-KBPBESRZSA-N 1 0 231.295 0.595 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCN(C(=O)OCC)CC1 ZINC000289984686 353645361 /nfs/dbraw/zinc/64/53/61/353645361.db2.gz YBEDPGNIBFJCCL-SNVBAGLBSA-N 1 0 242.319 0.744 20 30 BCEDRO C#CCN(C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000291711572 353697634 /nfs/dbraw/zinc/69/76/34/353697634.db2.gz YZKDAHXVMHWJJG-LLVKDONJSA-N 1 0 225.336 0.991 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000290655551 353666439 /nfs/dbraw/zinc/66/64/39/353666439.db2.gz RHQUIQRQRLEHID-ONGXEEELSA-N 1 0 224.304 0.276 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CS[C@@H](C)C1 ZINC000393836365 353673987 /nfs/dbraw/zinc/67/39/87/353673987.db2.gz NXGGOLUQZPESEX-DTWKUNHWSA-N 1 0 214.334 0.772 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CS[C@H](C)C1 ZINC000393836369 353674180 /nfs/dbraw/zinc/67/41/80/353674180.db2.gz NXGGOLUQZPESEX-RKDXNWHRSA-N 1 0 214.334 0.772 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000291066177 353679162 /nfs/dbraw/zinc/67/91/62/353679162.db2.gz RXLPQZJZVPNZTC-ZJUUUORDSA-N 1 0 241.335 0.315 20 30 BCEDRO C=CCNC(=O)CN1CCOC[C@@H]1CCOC ZINC000291229022 353683027 /nfs/dbraw/zinc/68/30/27/353683027.db2.gz MFEMCFXZPRKYOD-NSHDSACASA-N 1 0 242.319 0.026 20 30 BCEDRO N#CC1(CN2CC[C@H](C[NH+]3CCOCC3)C2)CC1 ZINC000343322696 353692645 /nfs/dbraw/zinc/69/26/45/353692645.db2.gz RYRQKQQQAZISFW-CYBMUJFWSA-N 1 0 249.358 0.944 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000291923301 353702155 /nfs/dbraw/zinc/70/21/55/353702155.db2.gz SLROTKCCFFTGRF-LLVKDONJSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CCCCO ZINC000276449626 166386216 /nfs/dbraw/zinc/38/62/16/166386216.db2.gz VUARVVIOWKPUDM-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[NH+](CC)CC ZINC000292500681 353715724 /nfs/dbraw/zinc/71/57/24/353715724.db2.gz RBDSIOKWQYUICT-SNVBAGLBSA-N 1 0 211.309 0.649 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@H]1CCSC1 ZINC000292716091 353721347 /nfs/dbraw/zinc/72/13/47/353721347.db2.gz AEOXVPLESMCJIA-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO C#CCC[N@H+]1CCc2c(nnn2CCOC)C1 ZINC000292736721 353722815 /nfs/dbraw/zinc/72/28/15/353722815.db2.gz AAJDXIUEPMUGBX-UHFFFAOYSA-N 1 0 234.303 0.306 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](CC)C1 ZINC000292952103 353730359 /nfs/dbraw/zinc/73/03/59/353730359.db2.gz BQJDDAHRYKUXEN-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H]1C ZINC000293547836 353748069 /nfs/dbraw/zinc/74/80/69/353748069.db2.gz YRGSLOKJNRGOMD-AEJSXWLSSA-N 1 0 239.319 0.727 20 30 BCEDRO C=CCCC[NH2+]Cc1cnc(N)nc1N ZINC000639118491 353752635 /nfs/dbraw/zinc/75/26/35/353752635.db2.gz KIKQMHBRXXUONO-UHFFFAOYSA-N 1 0 207.281 0.358 20 30 BCEDRO C=CCOCCN1CCC[C@@]12CCOC2=O ZINC000294585771 353785410 /nfs/dbraw/zinc/78/54/10/353785410.db2.gz MVPDACAZQGBZEP-LBPRGKRZSA-N 1 0 225.288 0.971 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2ncn(C)n2)CC1 ZINC000293629709 353758713 /nfs/dbraw/zinc/75/87/13/353758713.db2.gz IXHODFMCLRQGOR-UHFFFAOYSA-N 1 0 247.302 0.099 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](C)C1 ZINC000293667159 353760178 /nfs/dbraw/zinc/76/01/78/353760178.db2.gz ZFHGFAAOEKEQAO-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CCCC(C)=O ZINC000293914924 353763169 /nfs/dbraw/zinc/76/31/69/353763169.db2.gz GKCIKQQEOHRBGF-UHFFFAOYSA-N 1 0 238.331 0.817 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000293930221 353764428 /nfs/dbraw/zinc/76/44/28/353764428.db2.gz TYAYOMLSDINGGR-ZYHUDNBSSA-N 1 0 228.336 0.627 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cccc[n+]1[O-] ZINC000293939504 353765008 /nfs/dbraw/zinc/76/50/08/353765008.db2.gz IWIRYJSFZFWICH-UHFFFAOYSA-N 1 0 247.298 0.005 20 30 BCEDRO CC#CC[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000293361033 353746411 /nfs/dbraw/zinc/74/64/11/353746411.db2.gz ZXYWJKPEDDVZJV-UHFFFAOYSA-N 1 0 237.303 0.272 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(CF)CC1 ZINC000295166636 353798923 /nfs/dbraw/zinc/79/89/23/353798923.db2.gz PLAPXNZGVADBJH-JTQLQIEISA-N 1 0 226.295 0.806 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H](CC)CO)C1=O ZINC000295830442 353815857 /nfs/dbraw/zinc/81/58/57/353815857.db2.gz YPLXTTJXVRWWAZ-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)CCOCC ZINC000300989983 363262954 /nfs/dbraw/zinc/26/29/54/363262954.db2.gz FOCAZYHEZWRRBY-SECBINFHSA-N 1 0 201.266 0.682 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)CF ZINC000296553145 353827842 /nfs/dbraw/zinc/82/78/42/353827842.db2.gz HCGOGJDEJRZXFN-JTQLQIEISA-N 1 0 229.299 0.599 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NOC(C)C ZINC000296891878 353832559 /nfs/dbraw/zinc/83/25/59/353832559.db2.gz MLCMYBJAYOLFHK-UHFFFAOYSA-N 1 0 227.308 0.581 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NC1CCC1 ZINC000296729775 353832585 /nfs/dbraw/zinc/83/25/85/353832585.db2.gz UQWLDIMQKKXZPF-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C=CC[NH+](CC=C)[C@H](CNC(=O)CO)C(C)C ZINC000294979160 353794625 /nfs/dbraw/zinc/79/46/25/353794625.db2.gz RQYMHRAATWNHSX-GFCCVEGCSA-N 1 0 240.347 0.794 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000186007468 353864012 /nfs/dbraw/zinc/86/40/12/353864012.db2.gz HOBIXXBOUBNMAD-UWVGGRQHSA-N 1 0 223.320 0.790 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000366832608 353920235 /nfs/dbraw/zinc/92/02/35/353920235.db2.gz STZCAUUCNKBESY-SNVBAGLBSA-N 1 0 246.738 0.964 20 30 BCEDRO C=CCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627111932 363271903 /nfs/dbraw/zinc/27/19/03/363271903.db2.gz GSWGULBVPCOSRZ-UHFFFAOYSA-N 1 0 227.308 0.370 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000334551298 353990897 /nfs/dbraw/zinc/99/08/97/353990897.db2.gz ASQJPWXLGYBQBP-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=C[C@@H](C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000343825991 354015917 /nfs/dbraw/zinc/01/59/17/354015917.db2.gz IYOLJVRUNHRWMH-MNOVXSKESA-N 1 0 223.320 0.067 20 30 BCEDRO C[N@H+](CCNC(=O)NCCCC#N)C1CC1 ZINC000343844705 354019650 /nfs/dbraw/zinc/01/96/50/354019650.db2.gz IHHJPSKGFADZPS-UHFFFAOYSA-N 1 0 224.308 0.684 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000344019992 354081630 /nfs/dbraw/zinc/08/16/30/354081630.db2.gz GBMFZBWIXYGLFO-JTQLQIEISA-N 1 0 207.277 0.358 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](CO)C[C@H]1C ZINC000344120971 354144256 /nfs/dbraw/zinc/14/42/56/354144256.db2.gz DHEJTHLSOUCFRH-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO CC[C@@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC000344210180 354164934 /nfs/dbraw/zinc/16/49/34/354164934.db2.gz ADZNTDXUAVUYPN-NSHDSACASA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000393872564 354264762 /nfs/dbraw/zinc/26/47/62/354264762.db2.gz AMKHDFVXKNIRCE-SNVBAGLBSA-N 1 0 226.320 0.836 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CCC[C@H]([NH+](C)C)C1 ZINC000301044011 363367595 /nfs/dbraw/zinc/36/75/95/363367595.db2.gz LYPZUEIHDQYGPF-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@H]2CC[NH2+]C2)cc1 ZINC000133616585 181100514 /nfs/dbraw/zinc/10/05/14/181100514.db2.gz DPWVMCYFWGRVDJ-NSHDSACASA-N 1 0 229.283 0.898 20 30 BCEDRO N#Cc1ccc(C(=O)NCC[NH+]2CCCC2)o1 ZINC000310519194 181100678 /nfs/dbraw/zinc/10/06/78/181100678.db2.gz NEVLJFQSSQLYEE-UHFFFAOYSA-N 1 0 233.271 0.977 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@@H]2CC[NH2+]C2)cc1 ZINC000133616391 181100727 /nfs/dbraw/zinc/10/07/27/181100727.db2.gz DPWVMCYFWGRVDJ-LLVKDONJSA-N 1 0 229.283 0.898 20 30 BCEDRO CS[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@@H]1[NH+](C)C ZINC000344761935 354355810 /nfs/dbraw/zinc/35/58/10/354355810.db2.gz ROLGQUDLFNLMID-KXUCPTDWSA-N 1 0 241.360 0.650 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCCOCCO)o1 ZINC000134668529 181107785 /nfs/dbraw/zinc/10/77/85/181107785.db2.gz KEGPDMDZZIBDOH-UHFFFAOYSA-N 1 0 224.260 0.640 20 30 BCEDRO C=CCOCCC[N@@H+]1C[C@@H](OC)C[C@H]1CO ZINC000344730776 354346429 /nfs/dbraw/zinc/34/64/29/354346429.db2.gz UVVIZWVXRDBTEX-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000048036917 181104892 /nfs/dbraw/zinc/10/48/92/181104892.db2.gz ZARJTJWAFHLCCM-LBPRGKRZSA-N 1 0 229.283 0.865 20 30 BCEDRO N#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000086331101 181105356 /nfs/dbraw/zinc/10/53/56/181105356.db2.gz YPKWOLMBDSTNNH-TXEJJXNPSA-N 1 0 218.256 0.096 20 30 BCEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3C(=O)NC[C@H]3C2)o1 ZINC000368214249 181106107 /nfs/dbraw/zinc/10/61/07/181106107.db2.gz FBTLWYNPHPBSFT-JOYOIKCWSA-N 1 0 245.282 0.719 20 30 BCEDRO C[C@H](C[NH+](C)C)NS(=O)(=O)CCCCC#N ZINC000344918542 354387079 /nfs/dbraw/zinc/38/70/79/354387079.db2.gz ROIUOWVWSCZLBS-SNVBAGLBSA-N 1 0 247.364 0.550 20 30 BCEDRO N#Cc1ccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)cn1 ZINC000333066204 181116222 /nfs/dbraw/zinc/11/62/22/181116222.db2.gz BUUHKAZCFXQGHQ-SKDRFNHKSA-N 1 0 214.272 0.751 20 30 BCEDRO N#Cc1cccc(C[NH2+]CC2(CO)COC2)c1 ZINC000344836378 181137884 /nfs/dbraw/zinc/13/78/84/181137884.db2.gz JUWJGVBSSWPXBC-UHFFFAOYSA-N 1 0 232.283 0.657 20 30 BCEDRO C=CCC(C)(C)C[NH2+]Cc1cnc(N)nc1N ZINC000639207703 354691992 /nfs/dbraw/zinc/69/19/92/354691992.db2.gz RSWQTCNGAWWDMH-UHFFFAOYSA-N 1 0 235.335 0.994 20 30 BCEDRO C=CC[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000335117625 354708582 /nfs/dbraw/zinc/70/85/82/354708582.db2.gz ITHGRFCRKPKILR-UHFFFAOYSA-N 1 0 209.293 0.662 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000345985074 354833821 /nfs/dbraw/zinc/83/38/21/354833821.db2.gz XSQOPKVORFYIMW-VIFPVBQESA-N 1 0 224.308 0.669 20 30 BCEDRO C=C(C)CN(C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000335159206 354867083 /nfs/dbraw/zinc/86/70/83/354867083.db2.gz UTRGPOMYMOCPBJ-MYJAWHEDSA-N 1 0 209.293 0.422 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627186252 363441140 /nfs/dbraw/zinc/44/11/40/363441140.db2.gz RKUFJWWJOSLYIB-VHSXEESVSA-N 1 0 227.308 0.239 20 30 BCEDRO C=C(C)CN(CC)C(=O)NCCOCC[NH2+]C ZINC000627179720 363428138 /nfs/dbraw/zinc/42/81/38/363428138.db2.gz ZSWWDBWYCFXXPG-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000346416513 354951937 /nfs/dbraw/zinc/95/19/37/354951937.db2.gz SKTMDBNFMGOEKS-OUAUKWLOSA-N 1 0 223.320 0.945 20 30 BCEDRO CC[N@H+](CCOC)CC(=O)NC1(C#N)CCC1 ZINC000346820506 355124994 /nfs/dbraw/zinc/12/49/94/355124994.db2.gz ALTXCPVGEQOXJB-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO C[N@@H+](CC(=O)NC1(C#N)CCC1)CC1CC1 ZINC000346817360 355124217 /nfs/dbraw/zinc/12/42/17/355124217.db2.gz FSGHUICLQZAYIY-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO N#Cc1nccnc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000054378183 181175449 /nfs/dbraw/zinc/17/54/49/181175449.db2.gz KXPMNZBIAUMRCK-VIFPVBQESA-N 1 0 229.287 0.997 20 30 BCEDRO N#Cc1nccc(NCC[NH+]2CCCCC2)n1 ZINC000383769456 355294220 /nfs/dbraw/zinc/29/42/20/355294220.db2.gz NAIPFZNPJAUEHX-UHFFFAOYSA-N 1 0 231.303 0.668 20 30 BCEDRO CC[C@@H](C)[N@H+](C)CCNc1ncncc1C#N ZINC000383788643 355323976 /nfs/dbraw/zinc/32/39/76/355323976.db2.gz QOBKLIOYXXHBQH-SNVBAGLBSA-N 1 0 233.319 0.912 20 30 BCEDRO N#Cc1cccc(N2CC[C@@H]3C[NH2+]C[C@@H]32)n1 ZINC000211789789 355389290 /nfs/dbraw/zinc/38/92/90/355389290.db2.gz GLWIKLVDOJXEKD-KOLCDFICSA-N 1 0 214.272 0.751 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ncnn1CC ZINC000639273327 355346010 /nfs/dbraw/zinc/34/60/10/355346010.db2.gz AHADVIYRKSUEBF-QWRGUYRKSA-N 1 0 236.319 0.979 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@]1(OC)CCOC1 ZINC000639275692 355352812 /nfs/dbraw/zinc/35/28/12/355352812.db2.gz QMZYDSAFNACYRZ-AVGNSLFASA-N 1 0 241.331 0.973 20 30 BCEDRO CC[C@H](C(=O)N1CC(C)(C#N)C1)[NH+](C)C ZINC000335783504 355431354 /nfs/dbraw/zinc/43/13/54/355431354.db2.gz DFPZYVBIPVGKTA-SECBINFHSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC#N ZINC000335847397 355591526 /nfs/dbraw/zinc/59/15/26/355591526.db2.gz HQUCIVSNSVCCCI-WPRPVWTQSA-N 1 0 207.277 0.499 20 30 BCEDRO CC[NH+](CC)CCO[C@H]1CCN(CC#N)C1 ZINC000350222406 355651141 /nfs/dbraw/zinc/65/11/41/355651141.db2.gz SEUUSPWHZHCRMB-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C[C@H](CCC#N)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000582184156 355659776 /nfs/dbraw/zinc/65/97/76/355659776.db2.gz OIRCXQYKLWJIBS-VXGBXAGGSA-N 1 0 225.336 0.677 20 30 BCEDRO C=C(C)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000335870275 355635667 /nfs/dbraw/zinc/63/56/67/355635667.db2.gz WECSWTBLZFLULI-LBPRGKRZSA-N 1 0 210.321 0.969 20 30 BCEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)C#N ZINC000335870767 355637128 /nfs/dbraw/zinc/63/71/28/355637128.db2.gz BHHMNIGTTZNMHF-WDEREUQCSA-N 1 0 223.320 0.945 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000352073058 134055119 /nfs/dbraw/zinc/05/51/19/134055119.db2.gz CZCMBCJUYWEICV-XQQFMLRXSA-N 1 0 240.347 0.328 20 30 BCEDRO N#CCCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000609572698 355909870 /nfs/dbraw/zinc/90/98/70/355909870.db2.gz SGNNYGUXADTMBJ-NEPJUHHUSA-N 1 0 223.320 0.431 20 30 BCEDRO CCn1cc(C[NH2+]C2CCN(CC#N)CC2)cn1 ZINC000609561823 355892610 /nfs/dbraw/zinc/89/26/10/355892610.db2.gz RYWFJYRUNCBYJD-UHFFFAOYSA-N 1 0 247.346 0.981 20 30 BCEDRO Cc1nnc(CCNC(=O)[C@@H]2CCC[N@H+]2C)[nH]1 ZINC000329105487 355896475 /nfs/dbraw/zinc/89/64/75/355896475.db2.gz OKWYXWBYGKRDHK-VIFPVBQESA-N 1 0 237.307 0.706 20 30 BCEDRO C=C(C)CC[NH+]1CCN(CC(=O)NCC)CC1 ZINC000352113923 134068564 /nfs/dbraw/zinc/06/85/64/134068564.db2.gz PXAZWQHMJLOLJU-UHFFFAOYSA-N 1 0 239.363 0.706 20 30 BCEDRO C[C@@H](CCC#N)N1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000351435553 355991328 /nfs/dbraw/zinc/99/13/28/355991328.db2.gz YPTMVDRRILVSEA-AEJSXWLSSA-N 1 0 225.292 0.253 20 30 BCEDRO C=CCCOCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417959915 191945803 /nfs/dbraw/zinc/94/58/03/191945803.db2.gz MHRTVFRGXKGAKJ-NXEZZACHSA-N 1 0 229.324 0.614 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000367127243 356040301 /nfs/dbraw/zinc/04/03/01/356040301.db2.gz RJWZAYJNQOYQMZ-KUMVTMCRSA-N 1 0 225.292 0.314 20 30 BCEDRO C=C(C)CN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000351537532 356010796 /nfs/dbraw/zinc/01/07/96/356010796.db2.gz RQVDJPBCSDQXBN-LBPRGKRZSA-N 1 0 240.347 0.989 20 30 BCEDRO COc1ccc(CN(C)CC(N)=O)cc1C#N ZINC000087833152 356017770 /nfs/dbraw/zinc/01/77/70/356017770.db2.gz DERRPEWCCNLGDA-UHFFFAOYSA-N 1 0 233.271 0.484 20 30 BCEDRO CC[NH+]1CCN([C@H](C)CNC(=O)CC#N)CC1 ZINC000331040556 356020201 /nfs/dbraw/zinc/02/02/01/356020201.db2.gz CFGLGVRPNZAJFS-LLVKDONJSA-N 1 0 238.335 0.042 20 30 BCEDRO C=C(C)CC[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000351736563 356075335 /nfs/dbraw/zinc/07/53/35/356075335.db2.gz RHWWKAWBQZHBFS-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C[C@H](O)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000617550172 356092659 /nfs/dbraw/zinc/09/26/59/356092659.db2.gz KJMIFEWXCUDBJG-ZJUUUORDSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](C)C[NH3+] ZINC000418248166 192002617 /nfs/dbraw/zinc/00/26/17/192002617.db2.gz HXPKWMNYSATGNA-AXFHLTTASA-N 1 0 241.335 0.614 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H]([NH3+])CC ZINC000418242357 192003311 /nfs/dbraw/zinc/00/33/11/192003311.db2.gz AMQJHGJKIIZWAT-MXWKQRLJSA-N 1 0 241.335 0.757 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC(C)(C)[NH3+] ZINC000418242762 192003473 /nfs/dbraw/zinc/00/34/73/192003473.db2.gz BAIQJZIJEKRQJJ-ZJUUUORDSA-N 1 0 241.335 0.757 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](C)C[NH3+] ZINC000418248817 192006708 /nfs/dbraw/zinc/00/67/08/192006708.db2.gz IWUPBDLJEGCYRW-AEJSXWLSSA-N 1 0 227.308 0.224 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418272226 192011402 /nfs/dbraw/zinc/01/14/02/192011402.db2.gz XFOHSSNBWKTPJU-SNVBAGLBSA-N 1 0 227.308 0.240 20 30 BCEDRO C=C(C)CC[N@@H+](C)CC(C)(CO)CO ZINC000351884288 356131303 /nfs/dbraw/zinc/13/13/03/356131303.db2.gz XGEIJVLGNHOKPI-UHFFFAOYSA-N 1 0 201.310 0.875 20 30 BCEDRO CO[C@H](C(=O)NC[C@H]1CN(C)CCO1)C1CC1 ZINC000329895316 356140914 /nfs/dbraw/zinc/14/09/14/356140914.db2.gz BTHQZHOFUFGYJK-QWRGUYRKSA-N 1 0 242.319 0.699 20 30 BCEDRO Cn1cnc(CNC(=O)[C@@H]2CCC[N@@H+]2C2CC2)n1 ZINC000330214214 356185008 /nfs/dbraw/zinc/18/50/08/356185008.db2.gz GAKPEWRQQUDVOP-JTQLQIEISA-N 1 0 249.318 0.898 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)NCC(C)(C)CC#N ZINC000418290729 192016532 /nfs/dbraw/zinc/01/65/32/192016532.db2.gz LMAWLQKTNDWCGU-VIFPVBQESA-N 1 0 226.324 0.820 20 30 BCEDRO CC[C@@H](O)C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000331364574 356199057 /nfs/dbraw/zinc/19/90/57/356199057.db2.gz BNCSWZJBRQDZGJ-GFCCVEGCSA-N 1 0 237.347 0.679 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@@H]2C[NH3+])C1=O ZINC000420286981 192201079 /nfs/dbraw/zinc/20/10/79/192201079.db2.gz HIVVWGBXWVTPJQ-MNOVXSKESA-N 1 0 223.320 0.196 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC[C@@H]2C[NH3+])C1=O ZINC000420286980 192201146 /nfs/dbraw/zinc/20/11/46/192201146.db2.gz HIVVWGBXWVTPJQ-GHMZBOCLSA-N 1 0 223.320 0.196 20 30 BCEDRO C=CCN1CC[C@H](N(C)CC(C)(C)C[NH3+])C1=O ZINC000420288866 192201541 /nfs/dbraw/zinc/20/15/41/192201541.db2.gz JPKVNTCCJGFGGR-NSHDSACASA-N 1 0 239.363 0.690 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000613489413 363463163 /nfs/dbraw/zinc/46/31/63/363463163.db2.gz PQXDBAMLSJXHEQ-VIFPVBQESA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCN1CC[C@H](N(C)[C@H](C[NH3+])C2CC2)C1=O ZINC000420317858 192213005 /nfs/dbraw/zinc/21/30/05/192213005.db2.gz OYNNLCBKCXCJSQ-NWDGAFQWSA-N 1 0 237.347 0.442 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000420324345 192228473 /nfs/dbraw/zinc/22/84/73/192228473.db2.gz ZKZLOPWIGHAANO-AGIUHOORSA-N 1 0 249.358 0.457 20 30 BCEDRO C=CCN1CC[C@H](N[C@@](C)(C[NH3+])C(C)C)C1=O ZINC000420326764 192229885 /nfs/dbraw/zinc/22/98/85/192229885.db2.gz XPUZPBGNFOSDIV-AAEUAGOBSA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000420356939 192219370 /nfs/dbraw/zinc/21/93/70/192219370.db2.gz DEGZKWLNWDLZME-ZDUSSCGKSA-N 1 0 237.347 0.364 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000420365174 192223326 /nfs/dbraw/zinc/22/33/26/192223326.db2.gz KWOAFWRYGBCFGF-JBLDHEPKSA-N 1 0 225.336 0.265 20 30 BCEDRO C=CCN1CC[C@H](N[C@H](C[NH3+])C(C)(C)C)C1=O ZINC000420364916 192224348 /nfs/dbraw/zinc/22/43/48/192224348.db2.gz PNQJLNCUSKQATP-WDEREUQCSA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H]([NH3+])CC ZINC000420461370 192244455 /nfs/dbraw/zinc/24/44/55/192244455.db2.gz GNCGIQUMSXSZMO-MRVPVSSYSA-N 1 0 206.311 0.219 20 30 BCEDRO C[C@@H]1CC[N@H+](C)CCN1c1cncc(C#N)n1 ZINC000420603939 192248421 /nfs/dbraw/zinc/24/84/21/192248421.db2.gz QTVROXQBLUNOEG-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@H](C#N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000609843357 356486934 /nfs/dbraw/zinc/48/69/34/356486934.db2.gz UJTALFUORHARAT-SECBINFHSA-N 1 0 235.291 0.543 20 30 BCEDRO C[NH+](C)C1CN(c2ccncc2C#N)C1 ZINC000399359263 356470257 /nfs/dbraw/zinc/47/02/57/356470257.db2.gz AUATXMOUYLZKLL-UHFFFAOYSA-N 1 0 202.261 0.703 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNc1ccncc1C#N ZINC000399368528 356471090 /nfs/dbraw/zinc/47/10/90/356471090.db2.gz JVUQOVAEEKHILS-GFCCVEGCSA-N 1 0 245.330 0.033 20 30 BCEDRO C=CCNC(=O)[C@H](C)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420995062 192294374 /nfs/dbraw/zinc/29/43/74/192294374.db2.gz CYLKIDJMCBSAFD-NWDGAFQWSA-N 1 0 239.363 0.703 20 30 BCEDRO Cc1[nH]c(C#N)cc1C(=O)N(C)CC[NH+](C)C ZINC000450026092 202067508 /nfs/dbraw/zinc/06/75/08/202067508.db2.gz VEJOZRTVKOKJFF-UHFFFAOYSA-N 1 0 234.303 0.828 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627204960 363501167 /nfs/dbraw/zinc/50/11/67/363501167.db2.gz JPCPROJBEYSOPG-GMTAPVOTSA-N 1 0 241.335 0.363 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCc2ncnn21 ZINC000639665419 356579491 /nfs/dbraw/zinc/57/94/91/356579491.db2.gz LWTKAGKMSMARCZ-AXFHLTTASA-N 1 0 234.303 0.699 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000336236165 134140362 /nfs/dbraw/zinc/14/03/62/134140362.db2.gz UOKJZORZOMMZOX-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO CNC(=O)[C@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000336359618 134144478 /nfs/dbraw/zinc/14/44/78/134144478.db2.gz DBODOCUOAKADCH-JTQLQIEISA-N 1 0 221.304 0.748 20 30 BCEDRO C=CCCC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639721066 356618892 /nfs/dbraw/zinc/61/88/92/356618892.db2.gz MDIDGBRHXNTBQH-UHFFFAOYSA-N 1 0 235.335 0.889 20 30 BCEDRO C=C(C)C[N@H+](CC)C[C@H](O)COCCOC ZINC000450243629 202106682 /nfs/dbraw/zinc/10/66/82/202106682.db2.gz LOFAHEXVHFPLPD-LBPRGKRZSA-N 1 0 231.336 0.908 20 30 BCEDRO C[N@@H+]1CCC[C@@]2(CCN(C(=O)CC#N)C2)C1 ZINC000336436526 134147178 /nfs/dbraw/zinc/14/71/78/134147178.db2.gz JPJGAOUUAKPQHP-GFCCVEGCSA-N 1 0 221.304 0.844 20 30 BCEDRO N#CCC1(C[N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000088259266 356646062 /nfs/dbraw/zinc/64/60/62/356646062.db2.gz GJWWLQYOODWIQM-SECBINFHSA-N 1 0 207.277 0.630 20 30 BCEDRO CNC(=O)[C@@H]1CCC[N@@H+]1CC1(CC#N)CC1 ZINC000088259378 356647212 /nfs/dbraw/zinc/64/72/12/356647212.db2.gz NXIZEPIMQMRMQP-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@H]1CC[N@H+](C)CCN1c1nccc(C#N)n1 ZINC000450331503 202129180 /nfs/dbraw/zinc/12/91/80/202129180.db2.gz REXVCBGXUDWLGB-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352581035 134149081 /nfs/dbraw/zinc/14/90/81/134149081.db2.gz QRBGQWCDMAKAOV-RYUDHWBXSA-N 1 0 238.331 0.742 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609921755 356654560 /nfs/dbraw/zinc/65/45/60/356654560.db2.gz ADWBSNFMPZLCID-ONGXEEELSA-N 1 0 221.304 0.747 20 30 BCEDRO C#CC[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000367133628 134150620 /nfs/dbraw/zinc/15/06/20/134150620.db2.gz OLCBNYKIDSXOOL-NEPJUHHUSA-N 1 0 208.305 0.415 20 30 BCEDRO C#CC[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000367133629 134150855 /nfs/dbraw/zinc/15/08/55/134150855.db2.gz OLCBNYKIDSXOOL-NWDGAFQWSA-N 1 0 208.305 0.415 20 30 BCEDRO C=CCCC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000352769786 134151800 /nfs/dbraw/zinc/15/18/00/134151800.db2.gz KKEJSZFJPAGTOT-VIFPVBQESA-N 1 0 223.276 0.189 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000304213769 356669597 /nfs/dbraw/zinc/66/95/97/356669597.db2.gz ISTBITUNRZAGOF-RYUDHWBXSA-N 1 0 238.331 0.884 20 30 BCEDRO COCC#CCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761726 356679330 /nfs/dbraw/zinc/67/93/30/356679330.db2.gz DLEVACVSWKRKPF-CYBMUJFWSA-N 1 0 240.347 0.025 20 30 BCEDRO C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCCC[C@H]1O ZINC000305815097 134160732 /nfs/dbraw/zinc/16/07/32/134160732.db2.gz OABJLSMXWXRKCP-WDEREUQCSA-N 1 0 239.319 0.109 20 30 BCEDRO CC#CCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639765342 356692098 /nfs/dbraw/zinc/69/20/98/356692098.db2.gz IMWKDQYMZVXYNK-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO CC#CCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639765340 356692274 /nfs/dbraw/zinc/69/22/74/356692274.db2.gz IMWKDQYMZVXYNK-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(COC)CC1 ZINC000112356168 134161186 /nfs/dbraw/zinc/16/11/86/134161186.db2.gz KOWJTDWVMKPRIG-UHFFFAOYSA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1ccnn1C ZINC000193108412 356699717 /nfs/dbraw/zinc/69/97/17/356699717.db2.gz OLUMGZFPNOECEN-VIFPVBQESA-N 1 0 222.292 0.373 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)c1ccnn1C ZINC000193108422 356700321 /nfs/dbraw/zinc/70/03/21/356700321.db2.gz OLUMGZFPNOECEN-SECBINFHSA-N 1 0 222.292 0.373 20 30 BCEDRO CC[N@H+](CCC1CC1)CC(=O)NCC#N ZINC000355052709 134171737 /nfs/dbraw/zinc/17/17/37/134171737.db2.gz DXCLIFDULHDNOV-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)CC1(C#N)CCC1 ZINC000450464340 202172778 /nfs/dbraw/zinc/17/27/78/202172778.db2.gz XXEQSJUJQBIOAW-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@@H]1C[C@H](C)[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC000355733482 134174783 /nfs/dbraw/zinc/17/47/83/134174783.db2.gz AOOXRMYYMMBBQI-VWYCJHECSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(CC#N)CC#N ZINC000355406784 134173143 /nfs/dbraw/zinc/17/31/43/134173143.db2.gz ARUBDRDFTRYZKK-GHMZBOCLSA-N 1 0 234.303 0.735 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385036138 356870975 /nfs/dbraw/zinc/87/09/75/356870975.db2.gz YTWWYVNZQRBPSP-WGBDABJCSA-N 1 0 235.331 0.945 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639850932 356854540 /nfs/dbraw/zinc/85/45/40/356854540.db2.gz XWPNBXSHJUTSOY-WDEREUQCSA-N 1 0 215.293 0.007 20 30 BCEDRO C=C(C)CC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639855712 356860489 /nfs/dbraw/zinc/86/04/89/356860489.db2.gz PHIKPCQYYGXSHB-GFCCVEGCSA-N 1 0 236.319 0.945 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000369627497 356989040 /nfs/dbraw/zinc/98/90/40/356989040.db2.gz ZPJQLBOHCDHGNT-LLVKDONJSA-N 1 0 221.304 0.499 20 30 BCEDRO CC(C)[NH+]1CCC(O)(CNC(=O)CC#N)CC1 ZINC000357357895 134182854 /nfs/dbraw/zinc/18/28/54/134182854.db2.gz XJXYGFJSGYTTPT-UHFFFAOYSA-N 1 0 239.319 0.252 20 30 BCEDRO C#CCC[NH+]1CCC(N2CCC[C@@H]2C(N)=O)CC1 ZINC000362482396 356946178 /nfs/dbraw/zinc/94/61/78/356946178.db2.gz AWFVSSKVERJLGG-CYBMUJFWSA-N 1 0 249.358 0.424 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582367213 357108324 /nfs/dbraw/zinc/10/83/24/357108324.db2.gz RWTZFVBVWNSVLT-VXGBXAGGSA-N 1 0 239.363 0.690 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](Cc2cn(CC(N)=O)nn2)C1 ZINC000628406773 357201325 /nfs/dbraw/zinc/20/13/25/357201325.db2.gz QIVOZBPHESLSAM-SNVBAGLBSA-N 1 0 249.318 0.161 20 30 BCEDRO N#Cc1ncccc1OC[C@@H]1C[NH2+]CCO1 ZINC000168802984 357240236 /nfs/dbraw/zinc/24/02/36/357240236.db2.gz NRPGSEHQZWXMNE-VIFPVBQESA-N 1 0 219.244 0.320 20 30 BCEDRO C=CCOc1ccccc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000628414533 357232018 /nfs/dbraw/zinc/23/20/18/357232018.db2.gz SOGGUBHCHOVPQJ-STQMWFEESA-N 1 0 249.310 0.789 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C#N)cn1 ZINC000168792818 357235403 /nfs/dbraw/zinc/23/54/03/357235403.db2.gz WHUUNCATJIAFCI-VIFPVBQESA-N 1 0 232.287 0.633 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000359583239 134196109 /nfs/dbraw/zinc/19/61/09/134196109.db2.gz OOMBCCDHAIONCV-VXGBXAGGSA-N 1 0 229.320 0.397 20 30 BCEDRO CC[N@H+](CCC#N)CC[C@@H]1CCNC1=O ZINC000395841144 357457176 /nfs/dbraw/zinc/45/71/76/357457176.db2.gz HYXHSIMEDXCMTF-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO CC[N@H+](CC[C@@H]1CCNC1=O)C[C@@H](C)C#N ZINC000395840064 357457243 /nfs/dbraw/zinc/45/72/43/357457243.db2.gz HGYRBOQCNBNTHO-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO CC#CCCNC(=O)NCC[N@@H+](C)CC ZINC000361361489 134204596 /nfs/dbraw/zinc/20/45/96/134204596.db2.gz HRCYTHQJWLCADM-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO C=C(C)CNC(=O)NCC1CC[NH2+]CC1 ZINC000583193508 357515381 /nfs/dbraw/zinc/51/53/81/357515381.db2.gz ARSYGJSLHTVXSV-UHFFFAOYSA-N 1 0 211.309 0.861 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361554342 134206460 /nfs/dbraw/zinc/20/64/60/134206460.db2.gz SJZDBRCMQYHQHI-PWSUYJOCSA-N 1 0 226.320 0.511 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000189306652 357630928 /nfs/dbraw/zinc/63/09/28/357630928.db2.gz XBKDUBIEARRAJS-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)/C=N/OC ZINC000367387243 134207771 /nfs/dbraw/zinc/20/77/71/134207771.db2.gz BONBOUCGJWWFRC-LBSFFPRJSA-N 1 0 239.319 0.704 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C#N)CCC1 ZINC000362634562 134213563 /nfs/dbraw/zinc/21/35/63/134213563.db2.gz GEOQEPXTZCLVLX-NXEZZACHSA-N 1 0 221.304 0.747 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCCN(CC)C(=O)C1 ZINC000190223752 357696193 /nfs/dbraw/zinc/69/61/93/357696193.db2.gz BXKKNSSBWVQAEK-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000368313295 134218004 /nfs/dbraw/zinc/21/80/04/134218004.db2.gz UKIIHZGZLXGATB-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO CCS[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000233983890 357764116 /nfs/dbraw/zinc/76/41/16/357764116.db2.gz DSDTVBCJLRMHPY-VHSXEESVSA-N 1 0 241.360 0.890 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000368841029 134220667 /nfs/dbraw/zinc/22/06/67/134220667.db2.gz CNHYMVBDNHNFRF-JTQLQIEISA-N 1 0 248.286 0.335 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000370258840 134225528 /nfs/dbraw/zinc/22/55/28/134225528.db2.gz APIPITRROGVZOD-GBKBBYRWSA-N 1 0 225.292 0.171 20 30 BCEDRO CC#CC[N@H+]1CCCN(CC(=O)OC)CC1 ZINC000370235831 134224826 /nfs/dbraw/zinc/22/48/26/134224826.db2.gz JFQCECHMXSYQGI-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO CC[C@H](C)[N@H+](C)CCNS(=O)(=O)[C@H](C)C#N ZINC000300412151 134228579 /nfs/dbraw/zinc/22/85/79/134228579.db2.gz LSJHGVALXIAVRM-VHSXEESVSA-N 1 0 247.364 0.548 20 30 BCEDRO C[C@H](C(N)=O)[NH+]1CCC(CCC#N)CC1 ZINC000399378349 357905738 /nfs/dbraw/zinc/90/57/38/357905738.db2.gz YQVBFYSMFIZOAN-SECBINFHSA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639942062 357962077 /nfs/dbraw/zinc/96/20/77/357962077.db2.gz DFGMLRJEWXSERH-TXEJJXNPSA-N 1 0 222.288 0.547 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](CO)C1 ZINC000374041539 134235329 /nfs/dbraw/zinc/23/53/29/134235329.db2.gz ZVLXACBKGHVUNB-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C#C[C@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(C)C ZINC000374058598 134235612 /nfs/dbraw/zinc/23/56/12/134235612.db2.gz UNSLCVHHFCUVGY-QWHCGFSZSA-N 1 0 249.358 0.150 20 30 BCEDRO C#CC[N@H+]1C[C@H]2CCC[C@]2(C(=O)OC)C1 ZINC000374647996 134237756 /nfs/dbraw/zinc/23/77/56/134237756.db2.gz POCOBBLFBAYBNL-PWSUYJOCSA-N 1 0 207.273 0.895 20 30 BCEDRO C=C(C)CC[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639945094 357969511 /nfs/dbraw/zinc/96/95/11/357969511.db2.gz RWRVGMXBBQEGGB-BETUJISGSA-N 1 0 236.315 0.937 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@](C)(CO)COC ZINC000639956742 357980014 /nfs/dbraw/zinc/98/00/14/357980014.db2.gz YIAOKYFVZPRUMU-WDEREUQCSA-N 1 0 217.309 0.301 20 30 BCEDRO COC1CC[NH+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC000610573021 357999687 /nfs/dbraw/zinc/99/96/87/357999687.db2.gz KXSLLFHVTFUDKH-JTQLQIEISA-N 1 0 239.319 0.373 20 30 BCEDRO C[C@@H](C(=O)N[C@@]1(C#N)CCSC1)[NH+](C)C ZINC000610560008 357986936 /nfs/dbraw/zinc/98/69/36/357986936.db2.gz LNNBUFOAGAXEDC-WCBMZHEXSA-N 1 0 227.333 0.452 20 30 BCEDRO NC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000305346505 134241213 /nfs/dbraw/zinc/24/12/13/134241213.db2.gz QCCNHLQURQNCRS-DJLDLDEBSA-N 1 0 209.293 0.608 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000305071588 134239659 /nfs/dbraw/zinc/23/96/59/134239659.db2.gz JLVZIWOIGKEOEV-RYUDHWBXSA-N 1 0 240.347 0.901 20 30 BCEDRO COCC#CC[N@@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000639999522 358035889 /nfs/dbraw/zinc/03/58/89/358035889.db2.gz KHSNQPUVNOZAOL-VXGBXAGGSA-N 1 0 227.304 0.108 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000377796522 134245082 /nfs/dbraw/zinc/24/50/82/134245082.db2.gz PMABFTNGTPAEJO-NWDGAFQWSA-N 1 0 236.315 0.094 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCn1cccn1 ZINC000262026758 535389476 /nfs/dbraw/zinc/38/94/76/535389476.db2.gz ZQRSXSACPDTTSH-UHFFFAOYSA-N 1 0 209.297 0.540 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000640005821 358058017 /nfs/dbraw/zinc/05/80/17/358058017.db2.gz SPHKGOBEIRGELM-NWDGAFQWSA-N 1 0 229.320 0.661 20 30 BCEDRO CCN(CC)C(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262442344 535390493 /nfs/dbraw/zinc/39/04/93/535390493.db2.gz BCYSBVGNSWFFNU-JTQLQIEISA-N 1 0 235.335 0.854 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(CC)C1 ZINC000640031289 358123118 /nfs/dbraw/zinc/12/31/18/358123118.db2.gz QXVFCWGSGMVIOV-AAEUAGOBSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@](O)(CC)C1 ZINC000640031057 358123230 /nfs/dbraw/zinc/12/32/30/358123230.db2.gz NBSGQSKMQIPLCM-GFCCVEGCSA-N 1 0 226.320 0.526 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@](O)(CC)C1 ZINC000640031058 358123524 /nfs/dbraw/zinc/12/35/24/358123524.db2.gz NBSGQSKMQIPLCM-LBPRGKRZSA-N 1 0 226.320 0.526 20 30 BCEDRO CC#CCC[NH2+]C[C@@H](O)CCC(=O)OCC ZINC000385424300 358134605 /nfs/dbraw/zinc/13/46/05/358134605.db2.gz KVFKSIQHPZGKFE-NSHDSACASA-N 1 0 227.304 0.694 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000547404737 325351326 /nfs/dbraw/zinc/35/13/26/325351326.db2.gz KDTRNCDANCOUIL-SDDRHHMPSA-N 1 0 240.347 0.912 20 30 BCEDRO CC[C@@]1(O)CCC[N@H+](CC#CCOC)C1 ZINC000640036658 358137163 /nfs/dbraw/zinc/13/71/63/358137163.db2.gz WGWYFIJFVDANJZ-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO COC[C@H]([NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000610813671 358189919 /nfs/dbraw/zinc/18/99/19/358189919.db2.gz PACRKVQEDORHFE-ZDUSSCGKSA-N 1 0 237.347 0.989 20 30 BCEDRO CC#CCCN1CCOC[C@@H]1CNC(=O)NC ZINC000640104830 358195419 /nfs/dbraw/zinc/19/54/19/358195419.db2.gz MSQRKANFLXCVFU-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO CN(Cc1ccc(C#N)cc1)C1C[NH2+]C1 ZINC000085257230 134268477 /nfs/dbraw/zinc/26/84/77/134268477.db2.gz RXYYZLPXQZJZAI-UHFFFAOYSA-N 1 0 201.273 0.962 20 30 BCEDRO CCNC(=[NH2+])NCCc1cccc(C(N)=O)c1 ZINC000264286214 535423423 /nfs/dbraw/zinc/42/34/23/535423423.db2.gz OTVKDTRJGXCEKC-UHFFFAOYSA-N 1 0 234.303 0.252 20 30 BCEDRO CCNC(=[NH2+])NCCc1cn2c(n1)SCC2 ZINC000262366591 535423035 /nfs/dbraw/zinc/42/30/35/535423035.db2.gz HVIDBUGTLXKIAC-UHFFFAOYSA-N 1 0 239.348 0.456 20 30 BCEDRO CCNC(=[NH2+])NCc1cn(C)nc1C(F)(F)F ZINC000269588141 535424252 /nfs/dbraw/zinc/42/42/52/535424252.db2.gz CQXPJGILOJAYFP-UHFFFAOYSA-N 1 0 249.240 0.863 20 30 BCEDRO COC[C@](C)(CCO)[NH2+]Cc1ccnc(C#N)c1 ZINC000610994794 358422401 /nfs/dbraw/zinc/42/24/01/358422401.db2.gz REYSNTRMVFUEKY-ZDUSSCGKSA-N 1 0 249.314 0.830 20 30 BCEDRO CC(C)N(CC(=O)NCC#N)Cc1cccnc1 ZINC000125702559 358544014 /nfs/dbraw/zinc/54/40/14/358544014.db2.gz VKCFOCHNNNIEAY-UHFFFAOYSA-N 1 0 246.314 0.932 20 30 BCEDRO C[C@@H](CNC(=O)C1(C#N)CCOCC1)[NH+](C)C ZINC000045109496 358559089 /nfs/dbraw/zinc/55/90/89/358559089.db2.gz SDUACXWOBPAISN-JTQLQIEISA-N 1 0 239.319 0.373 20 30 BCEDRO N#CCCN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129645012 358591309 /nfs/dbraw/zinc/59/13/09/358591309.db2.gz FENGOWMBFVMZDQ-GFCCVEGCSA-N 1 0 223.320 0.554 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)C[C@H](C)O ZINC000131270813 358667187 /nfs/dbraw/zinc/66/71/87/358667187.db2.gz LCFKTIJVPNGBPU-JTQLQIEISA-N 1 0 227.308 0.061 20 30 BCEDRO CC(C)[C@H](C(=O)N(C)CCC#N)[NH+](C)C ZINC000131785525 358692859 /nfs/dbraw/zinc/69/28/59/358692859.db2.gz YVDQUCXRSAVORJ-SNVBAGLBSA-N 1 0 211.309 0.945 20 30 BCEDRO C=C(C)C[N@@H+](C)CC(=O)NCCCOC ZINC000053141105 358812426 /nfs/dbraw/zinc/81/24/26/358812426.db2.gz OHSCGUWYKYXHFY-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCCC1 ZINC000052858239 358797561 /nfs/dbraw/zinc/79/75/61/358797561.db2.gz DPFHKTZVQDOEEZ-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNc1cc[nH+]cc1C(N)=O ZINC000578233243 366463276 /nfs/dbraw/zinc/46/32/76/366463276.db2.gz SLSGHDLMJYVWBQ-CABZTGNLSA-N 1 0 247.298 0.605 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCC(N)=O)cc1F ZINC000404166168 358903177 /nfs/dbraw/zinc/90/31/77/358903177.db2.gz SOGYAWSOXUEKTQ-UHFFFAOYSA-N 1 0 221.235 0.662 20 30 BCEDRO CSCC[NH+]1CCN(CCC#N)CC1 ZINC000611176314 358936415 /nfs/dbraw/zinc/93/64/15/358936415.db2.gz ZJQOXBOLVDMIMP-UHFFFAOYSA-N 1 0 213.350 0.881 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+](CC)CC1CC1 ZINC000070012258 359037546 /nfs/dbraw/zinc/03/75/46/359037546.db2.gz ZCIQFCXNZGMAKN-UHFFFAOYSA-N 1 0 239.319 0.730 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCO[C@H](COC)C1 ZINC000247680035 359239911 /nfs/dbraw/zinc/23/99/11/359239911.db2.gz ZORQUELZKPIJKX-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO C(#Cc1ccccc1)CNC1=[NH+]CCCN1 ZINC000077887517 359310109 /nfs/dbraw/zinc/31/01/09/359310109.db2.gz UHCNVHQYOBNJFL-UHFFFAOYSA-N 1 0 213.284 0.977 20 30 BCEDRO Cn1nnnc1CC[NH2+]Cc1ccc(C#N)s1 ZINC000611314656 359311644 /nfs/dbraw/zinc/31/16/44/359311644.db2.gz YJBVVDSPJFDWPB-UHFFFAOYSA-N 1 0 248.315 0.476 20 30 BCEDRO C[C@@H](C(=O)N1CCSC[C@H]1C#N)[NH+](C)C ZINC000611407429 359360086 /nfs/dbraw/zinc/36/00/86/359360086.db2.gz PDBCOELBMVGCBP-DTWKUNHWSA-N 1 0 227.333 0.404 20 30 BCEDRO N#CC1(CN2CC[NH+]([C@@H]3CCC[C@H]3O)CC2)CC1 ZINC000611429580 359367234 /nfs/dbraw/zinc/36/72/34/359367234.db2.gz UJJNNEATEAUFIP-CHWSQXEVSA-N 1 0 249.358 0.821 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)c1cn[nH]c1 ZINC000285011482 359320813 /nfs/dbraw/zinc/32/08/13/359320813.db2.gz HDEOBBSUDZXXNH-SECBINFHSA-N 1 0 243.332 0.661 20 30 BCEDRO C=C(C)C[N@H+](CC)C[C@H](O)CN1CCOCC1 ZINC000078434481 359326973 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/nfs/dbraw/zinc/61/52/00/360615200.db2.gz XIDPTKQTPAPHLW-LLVKDONJSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000613191934 360609311 /nfs/dbraw/zinc/60/93/11/360609311.db2.gz UKSGGZXYFRUDDK-BBBLOLIVSA-N 1 0 212.293 0.084 20 30 BCEDRO CC#CCCCC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629171474 360917640 /nfs/dbraw/zinc/91/76/40/360917640.db2.gz ACMRWEQKQJAYBJ-GFCCVEGCSA-N 1 0 238.331 0.363 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000418036932 200826493 /nfs/dbraw/zinc/82/64/93/200826493.db2.gz XAXVEMZYFGMLRL-MNOVXSKESA-N 1 0 223.320 0.779 20 30 BCEDRO C=CCCn1cc(C(=O)NC(C)(C)C[NH3+])nn1 ZINC000424081225 200857417 /nfs/dbraw/zinc/85/74/17/200857417.db2.gz UUMFLWMPELGAAZ-UHFFFAOYSA-N 1 0 237.307 0.321 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424218566 200893028 /nfs/dbraw/zinc/89/30/28/200893028.db2.gz VBNPEJULCYJNAS-AATLWQCWSA-N 1 0 209.293 0.778 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]([NH3+])C(C)C)nn1 ZINC000424212657 200888789 /nfs/dbraw/zinc/88/87/89/200888789.db2.gz PYQIKXBQWUCFCE-SNVBAGLBSA-N 1 0 237.307 0.064 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640473659 361244352 /nfs/dbraw/zinc/24/43/52/361244352.db2.gz JVSCLXWILXGLLT-AAEUAGOBSA-N 1 0 236.315 0.254 20 30 BCEDRO C=CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000428285622 201006312 /nfs/dbraw/zinc/00/63/12/201006312.db2.gz OGYXXWZDIMHAAY-NSHDSACASA-N 1 0 226.320 0.599 20 30 BCEDRO C=CCOCC(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000428625469 201031592 /nfs/dbraw/zinc/03/15/92/201031592.db2.gz QTUXXFPHKRVDBP-ZACCUICWSA-N 1 0 224.304 0.588 20 30 BCEDRO C=C(CC)C[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428817481 201042368 /nfs/dbraw/zinc/04/23/68/201042368.db2.gz NUBOTYSAVLUBEC-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000429127056 201070671 /nfs/dbraw/zinc/07/06/71/201070671.db2.gz JNMUZVIKDGPLAJ-WDEREUQCSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000429127054 201072097 /nfs/dbraw/zinc/07/20/97/201072097.db2.gz JNMUZVIKDGPLAJ-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000614393764 363789439 /nfs/dbraw/zinc/78/94/39/363789439.db2.gz JMFCLCSDIDFPLD-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCOCCC[N@@H+](CCC)CC(N)=O ZINC000429161329 201075482 /nfs/dbraw/zinc/07/54/82/201075482.db2.gz IXXSLMFEQYZKDA-UHFFFAOYSA-N 1 0 214.309 0.776 20 30 BCEDRO C[N@@H+]1CCN(CC[NH2+]CCC#N)CC1(C)C ZINC000579345132 366764106 /nfs/dbraw/zinc/76/41/06/366764106.db2.gz QSLPJKNUILMNBY-UHFFFAOYSA-N 1 0 224.352 0.516 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cccc(C#N)c1 ZINC000181125599 366787644 /nfs/dbraw/zinc/78/76/44/366787644.db2.gz PUCRSZFDUBRXHH-UHFFFAOYSA-N 1 0 229.283 0.950 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@H](C)C(N)=O ZINC000429722342 201128929 /nfs/dbraw/zinc/12/89/29/201128929.db2.gz SOKMEGRBQYEGIC-SNVBAGLBSA-N 1 0 213.325 0.300 20 30 BCEDRO CN(C)C(=O)CC[N@H+](C)CC(C)(C)C#N ZINC000433295570 201177593 /nfs/dbraw/zinc/17/75/93/201177593.db2.gz DSXHLQZWFLGDDX-UHFFFAOYSA-N 1 0 211.309 0.946 20 30 BCEDRO C=CCCC(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434418037 201220108 /nfs/dbraw/zinc/22/01/08/201220108.db2.gz XTAQWJAKUCEXKG-GFCCVEGCSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000431826016 192928268 /nfs/dbraw/zinc/92/82/68/192928268.db2.gz YOCAFEFCRRCQPH-YPMHNXCESA-N 1 0 240.347 0.724 20 30 BCEDRO c1ccc(CCCNC2=[NH+]CCCN2)nc1 ZINC000434928375 201245734 /nfs/dbraw/zinc/24/57/34/201245734.db2.gz SMHIBQOVWCPOPV-UHFFFAOYSA-N 1 0 218.304 0.953 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000435436587 201271704 /nfs/dbraw/zinc/27/17/04/201271704.db2.gz GEQWRWCMGWJACK-UHFFFAOYSA-N 1 0 234.365 0.822 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+](C)C ZINC000448561158 201276106 /nfs/dbraw/zinc/27/61/06/201276106.db2.gz DUDQWMCCVWUEQV-ZJUUUORDSA-N 1 0 212.293 0.255 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000613232428 361690334 /nfs/dbraw/zinc/69/03/34/361690334.db2.gz PVLSURHKWQVROY-NSHDSACASA-N 1 0 238.331 0.620 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)NCc1ccc(C#N)cc1 ZINC000417730730 219920930 /nfs/dbraw/zinc/92/09/30/219920930.db2.gz VEXZDWSFLLPBFR-JTQLQIEISA-N 1 0 246.314 0.952 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242931 363841086 /nfs/dbraw/zinc/84/10/86/363841086.db2.gz YDOSBPLUIWXASP-HBNTYKKESA-N 1 0 241.335 0.221 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000614794205 363979309 /nfs/dbraw/zinc/97/93/09/363979309.db2.gz QESNKRZZISRVNA-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000614834090 363989060 /nfs/dbraw/zinc/98/90/60/363989060.db2.gz HANLKXSWJDNCOG-UTUOFQBUSA-N 1 0 238.331 0.619 20 30 BCEDRO C=CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000630409536 364142888 /nfs/dbraw/zinc/14/28/88/364142888.db2.gz VZMIXFDGOJWPGK-UHFFFAOYSA-N 1 0 222.292 0.361 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCC(=O)N2)cc1 ZINC000079910706 370703462 /nfs/dbraw/zinc/70/34/62/370703462.db2.gz ROUZUCTUSOQMNP-LBPRGKRZSA-N 1 0 229.283 0.926 20 30 BCEDRO C=CCNC(=O)Cn1cc([C@H]([NH3+])CCC)nn1 ZINC000630609800 364340512 /nfs/dbraw/zinc/34/05/12/364340512.db2.gz DVWCXMZHCSVWCM-SECBINFHSA-N 1 0 237.307 0.380 20 30 BCEDRO C=C(CC)Cn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000630591103 364303144 /nfs/dbraw/zinc/30/31/44/364303144.db2.gz RSLGMQVJLKDNCQ-UHFFFAOYSA-N 1 0 249.362 0.692 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000134402387 364403118 /nfs/dbraw/zinc/40/31/18/364403118.db2.gz XKIVAUOKSGFUMN-VHSXEESVSA-N 1 0 212.293 0.303 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000615040348 364408722 /nfs/dbraw/zinc/40/87/22/364408722.db2.gz DOBXDKYTJOVPAT-ZJUUUORDSA-N 1 0 214.309 0.378 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NC[C@H](C)[NH+](C)C ZINC000136231046 364466534 /nfs/dbraw/zinc/46/65/34/364466534.db2.gz SHYWCBPTJNSXTH-GXSJLCMTSA-N 1 0 211.309 0.993 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](COC)C1CC1 ZINC000136616763 364474050 /nfs/dbraw/zinc/47/40/50/364474050.db2.gz ZZTZAXBSHAIIQH-KOLCDFICSA-N 1 0 224.304 0.139 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615202932 364624819 /nfs/dbraw/zinc/62/48/19/364624819.db2.gz GZVZPVYFGREPGT-STQMWFEESA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@@H](CC)Cn1cncn1 ZINC000453360784 202748886 /nfs/dbraw/zinc/74/88/86/202748886.db2.gz PTHYRHFRRMITQZ-RYUDHWBXSA-N 1 0 238.335 0.973 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000615188689 364617265 /nfs/dbraw/zinc/61/72/65/364617265.db2.gz WRYBEXHXCMTLKJ-SCVCMEIPSA-N 1 0 224.304 0.086 20 30 BCEDRO C#CC[N@@H+](CC(=O)NCC#N)C1CCCC1 ZINC000155828198 364740517 /nfs/dbraw/zinc/74/05/17/364740517.db2.gz STVBIUGOCXBJQC-UHFFFAOYSA-N 1 0 219.288 0.504 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000615356824 364721613 /nfs/dbraw/zinc/72/16/13/364721613.db2.gz VLFITGYSLZGTOS-AAEUAGOBSA-N 1 0 238.331 0.478 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NC1CC1 ZINC000296340917 364785025 /nfs/dbraw/zinc/78/50/25/364785025.db2.gz YUHZNRQXNACNHY-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO Cc1nn(CC[C@@H]2CC[NH2+]C2)c(=O)c(C#N)c1C ZINC000573365301 364810292 /nfs/dbraw/zinc/81/02/92/364810292.db2.gz UDHKOTSNFARGHA-NSHDSACASA-N 1 0 246.314 0.731 20 30 BCEDRO C[NH+](C)[C@H]1CN([C@H]2CC[C@@H](C#N)C2)C[C@@H]1O ZINC000573456194 364839410 /nfs/dbraw/zinc/83/94/10/364839410.db2.gz WQZJINHVVWGHCJ-RHYQMDGZSA-N 1 0 223.320 0.285 20 30 BCEDRO CC#CCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000573605378 364872668 /nfs/dbraw/zinc/87/26/68/364872668.db2.gz PAIZIUAAEMWCHC-VHSXEESVSA-N 1 0 211.309 0.825 20 30 BCEDRO CC#CCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000573605377 364872706 /nfs/dbraw/zinc/87/27/06/364872706.db2.gz PAIZIUAAEMWCHC-UWVGGRQHSA-N 1 0 211.309 0.825 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418399247 219960052 /nfs/dbraw/zinc/96/00/52/219960052.db2.gz DPKYLSGZTMFREV-ZJUUUORDSA-N 1 0 209.293 0.436 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000573811850 364922509 /nfs/dbraw/zinc/92/25/09/364922509.db2.gz KSEACOXNBSRJID-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000573811784 364922801 /nfs/dbraw/zinc/92/28/01/364922801.db2.gz IMYFIWUGQGPWGR-NXEZZACHSA-N 1 0 247.298 0.789 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCCNS(=O)(=O)CC ZINC000573813651 364923124 /nfs/dbraw/zinc/92/31/24/364923124.db2.gz IEDITDBEAGXWFJ-JTQLQIEISA-N 1 0 247.364 0.598 20 30 BCEDRO C=CCCNC(=O)NCCCN1CC[NH2+]CC1 ZINC000659505939 541407331 /nfs/dbraw/zinc/40/73/31/541407331.db2.gz IBZMPGDHWLGNMR-UHFFFAOYSA-N 1 0 240.351 0.157 20 30 BCEDRO CC(C)NC(=O)CC[NH2+]C[C@H](C#N)CCC#N ZINC000574032798 364970515 /nfs/dbraw/zinc/97/05/15/364970515.db2.gz WGAYNCBFHKQFCS-NSHDSACASA-N 1 0 236.319 0.934 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC[C@@H]1CCNC1=O ZINC000574216891 365012101 /nfs/dbraw/zinc/01/21/01/365012101.db2.gz DMPHBSLVVJFQGN-MXWKQRLJSA-N 1 0 224.304 0.446 20 30 BCEDRO C[C@H](CCC#N)[NH+]1CCC(NC(N)=O)CC1 ZINC000574522686 365081392 /nfs/dbraw/zinc/08/13/92/365081392.db2.gz CRGMUWRIYZDDOQ-SECBINFHSA-N 1 0 224.308 0.811 20 30 BCEDRO C=CCN(CCOC)C[C@@H](O)C[N@@H+](C)CC ZINC000574581317 365097210 /nfs/dbraw/zinc/09/72/10/365097210.db2.gz HPLMPGUCDNNHBH-LBPRGKRZSA-N 1 0 230.352 0.433 20 30 BCEDRO C[C@@H]1COCCN1CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442786584 192990938 /nfs/dbraw/zinc/99/09/38/192990938.db2.gz UDVJLZXDSRZJOM-AGIUHOORSA-N 1 0 237.347 0.989 20 30 BCEDRO N#CC[C@@H]1CC[C@H](NC(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000575197083 365238691 /nfs/dbraw/zinc/23/86/91/365238691.db2.gz GPHFPEMGROUCHF-DCAQKATOSA-N 1 0 236.319 0.730 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000575862045 365389333 /nfs/dbraw/zinc/38/93/33/365389333.db2.gz RKLIVSOUBROSPA-BBBLOLIVSA-N 1 0 233.333 0.353 20 30 BCEDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCOCCC#N ZINC000338925223 365441977 /nfs/dbraw/zinc/44/19/77/365441977.db2.gz KRLYWAKEWLKQAG-JTQLQIEISA-N 1 0 225.292 0.127 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000339123140 365450820 /nfs/dbraw/zinc/45/08/20/365450820.db2.gz FHNMBFVQXAOFFC-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CO)[C@H](C)CCC ZINC000576044410 365460745 /nfs/dbraw/zinc/46/07/45/365460745.db2.gz SHSFHZXOHNDYEW-MNOVXSKESA-N 1 0 228.336 0.675 20 30 BCEDRO CC[C@H]([NH3+])CNC(=O)C1(C#N)CCCC1 ZINC000564580245 325796906 /nfs/dbraw/zinc/79/69/06/325796906.db2.gz PHBPMTXHPIYILC-VIFPVBQESA-N 1 0 209.293 0.924 20 30 BCEDRO C[C@@H](C#N)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000579728942 366994486 /nfs/dbraw/zinc/99/44/86/366994486.db2.gz IRLIVEYDLPPOPZ-IUCAKERBSA-N 1 0 220.276 0.864 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000579917350 367079966 /nfs/dbraw/zinc/07/99/66/367079966.db2.gz UAGGNWZAUBOKNW-NEPJUHHUSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@]1(F)CC[NH2+]C1 ZINC000368562230 367111034 /nfs/dbraw/zinc/11/10/34/367111034.db2.gz OHOLMRLQOLQQQL-SCZZXKLOSA-N 1 0 200.257 0.769 20 30 BCEDRO C=CCOCCC[N@@H+](C)CCNC(C)=O ZINC000579953799 367100976 /nfs/dbraw/zinc/10/09/76/367100976.db2.gz LGCAAEBIKZHKTR-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO N#CCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000580770282 367160455 /nfs/dbraw/zinc/16/04/55/367160455.db2.gz WPHSLFDFUYONBK-KOLCDFICSA-N 1 0 207.277 0.547 20 30 BCEDRO C[NH2+]C(C)(C)CNc1ncncc1C#N ZINC000580889895 367198111 /nfs/dbraw/zinc/19/81/11/367198111.db2.gz UMXNMKNQOKGUQI-UHFFFAOYSA-N 1 0 205.265 0.180 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N[C@@]2(C#N)CCOC2)C1 ZINC000581201338 367293194 /nfs/dbraw/zinc/29/31/94/367293194.db2.gz VKGJCULBCDAWGH-ZYHUDNBSSA-N 1 0 237.303 0.127 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C#N)c(N)n3)C[C@@H]21 ZINC000581199652 367293453 /nfs/dbraw/zinc/29/34/53/367293453.db2.gz IPRHCHXKCYRFNS-MNOVXSKESA-N 1 0 243.314 0.676 20 30 BCEDRO CC[C@@H](CC#N)NC[C@H](O)C[N@H+](C)CCOC ZINC000581202172 367294442 /nfs/dbraw/zinc/29/44/42/367294442.db2.gz SBDCJUOWCYSQFT-RYUDHWBXSA-N 1 0 243.351 0.207 20 30 BCEDRO C[N@@H+]1CCC[C@@H](CCNc2ncncc2C#N)C1 ZINC000581486180 367517734 /nfs/dbraw/zinc/51/77/34/367517734.db2.gz YTMHOCQLEPBKEE-NSHDSACASA-N 1 0 245.330 0.914 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@H](O)COC(C)C ZINC000383011966 367586010 /nfs/dbraw/zinc/58/60/10/367586010.db2.gz BHJRNMNMMBEJKN-ZDUSSCGKSA-N 1 0 242.363 0.317 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CC[C@@H](C)OC ZINC000383031525 367588151 /nfs/dbraw/zinc/58/81/51/367588151.db2.gz DEPVISGHBBEPKH-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CC[C@H](C)OC ZINC000383031527 367588399 /nfs/dbraw/zinc/58/83/99/367588399.db2.gz DEPVISGHBBEPKH-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C[C@@]1(O)CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000581733749 367796661 /nfs/dbraw/zinc/79/66/61/367796661.db2.gz ABXCMEPSZAZGRO-GFCCVEGCSA-N 1 0 217.272 0.910 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(C)C1CC([NH3+])C1 ZINC000385123839 367796759 /nfs/dbraw/zinc/79/67/59/367796759.db2.gz FZZCFHGEDIKWMT-UHFFFAOYSA-N 1 0 237.347 0.609 20 30 BCEDRO C=CC(C)(C)C[NH2+]C[C@@H](O)COCCOC ZINC000385133193 367798173 /nfs/dbraw/zinc/79/81/73/367798173.db2.gz HHVFTJXUDRDTGT-LLVKDONJSA-N 1 0 231.336 0.812 20 30 BCEDRO CCCN(CC#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000386237361 367935294 /nfs/dbraw/zinc/93/52/94/367935294.db2.gz NYIISNFBPMKXCC-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO C=C(C)COCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000386317390 367949768 /nfs/dbraw/zinc/94/97/68/367949768.db2.gz CDPGXQUEEUWOAL-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615600440 368127695 /nfs/dbraw/zinc/12/76/95/368127695.db2.gz CDZBLUMPZLRPKO-DGCLKSJQSA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCNC(=O)[C@@H](C)SCC[NH+](C)C ZINC000446564561 201687225 /nfs/dbraw/zinc/68/72/25/201687225.db2.gz KHHMRFBFLLUEKB-SECBINFHSA-N 1 0 216.350 0.972 20 30 BCEDRO N#C[C@@]1(F)CCN(C(=O)Cn2ccnc2)C1 ZINC000615824816 368460465 /nfs/dbraw/zinc/46/04/65/368460465.db2.gz LHFFVXCETOVHHR-JTQLQIEISA-N 1 0 222.223 0.347 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615825560 368465041 /nfs/dbraw/zinc/46/50/41/368465041.db2.gz MENUGASNZYQCAP-LLVKDONJSA-N 1 0 227.283 0.792 20 30 BCEDRO CNC(NCc1cc(OC)ccc1OC)=[NH+]C ZINC000057887400 368503012 /nfs/dbraw/zinc/50/30/12/368503012.db2.gz GSCCPGCREJVQQN-UHFFFAOYSA-N 1 0 237.303 0.999 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)NC(C)(C)C[NH+](C)C ZINC000457247174 203028484 /nfs/dbraw/zinc/02/84/84/203028484.db2.gz SJPGHBOBFJJKEB-UHFFFAOYSA-N 1 0 248.330 0.967 20 30 BCEDRO COCCN(CC#N)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000457206184 203018822 /nfs/dbraw/zinc/01/88/22/203018822.db2.gz RVXGQLJFWTWNCX-MNOVXSKESA-N 1 0 239.319 0.183 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCOC[C@@H]2C#N)C1 ZINC000259867892 370949240 /nfs/dbraw/zinc/94/92/40/370949240.db2.gz JEJMSXHYFQTELD-QWRGUYRKSA-N 1 0 237.303 0.079 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)C(C)(C)C#N ZINC000110895334 368830018 /nfs/dbraw/zinc/83/00/18/368830018.db2.gz JMYPSUMBFMFRFC-UHFFFAOYSA-N 1 0 211.309 0.946 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000615960213 368791469 /nfs/dbraw/zinc/79/14/69/368791469.db2.gz XPDDRYPMOWKNNS-UIFQDHKGSA-N 1 0 238.331 0.665 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000615984359 368855228 /nfs/dbraw/zinc/85/52/28/368855228.db2.gz FCEDAZYDECVKDP-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO N#Cc1ccccc1CN1CCNC(=O)CC1 ZINC000054867644 369107127 /nfs/dbraw/zinc/10/71/27/369107127.db2.gz KCJVWMCIBHCRSQ-UHFFFAOYSA-N 1 0 229.283 0.880 20 30 BCEDRO C=C(CC)CNC(=O)NCCOCC[NH+](C)C ZINC000458704771 203189857 /nfs/dbraw/zinc/18/98/57/203189857.db2.gz YEZLRMWSSDDZPP-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000618887477 369234424 /nfs/dbraw/zinc/23/44/24/369234424.db2.gz ZWKLUSCDKNMZGC-ZJUUUORDSA-N 1 0 225.292 0.112 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000459075963 203229700 /nfs/dbraw/zinc/22/97/00/203229700.db2.gz MBDDYDVPFXBWMB-GFCCVEGCSA-N 1 0 243.351 0.564 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000459008626 203222885 /nfs/dbraw/zinc/22/28/85/203222885.db2.gz UJIRTQWMJIPJBI-GFCCVEGCSA-N 1 0 243.351 0.564 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]CCN1CCCOCC1 ZINC000459478809 203287793 /nfs/dbraw/zinc/28/77/93/203287793.db2.gz NKJBUYYVDACGML-STQMWFEESA-N 1 0 237.347 0.991 20 30 BCEDRO C[NH+]1CC2(C1)CCN(C(=O)c1cc(C#N)c[nH]1)C2 ZINC000619251663 369307980 /nfs/dbraw/zinc/30/79/80/369307980.db2.gz KDOYGMIIYFCBLP-UHFFFAOYSA-N 1 0 244.298 0.664 20 30 BCEDRO C[NH+]1CC2(C1)CCN(C(=O)c1c[nH]c(C#N)c1)C2 ZINC000619251980 369308481 /nfs/dbraw/zinc/30/84/81/369308481.db2.gz WUJCFPULUNYSQA-UHFFFAOYSA-N 1 0 244.298 0.664 20 30 BCEDRO CC[N@@H+]1CCCN(c2ccc(C#N)nn2)CC1 ZINC000302010394 369385512 /nfs/dbraw/zinc/38/55/12/369385512.db2.gz VZZXEUOAASDJDW-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO N#Cc1cncc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)n1 ZINC000401482216 369364818 /nfs/dbraw/zinc/36/48/18/369364818.db2.gz REMZRZJTULVGTF-PHIMTYICSA-N 1 0 243.314 0.784 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000108536443 369397223 /nfs/dbraw/zinc/39/72/23/369397223.db2.gz MHOHKTGJZYQUFZ-LLVKDONJSA-N 1 0 223.320 0.956 20 30 BCEDRO C=CCCn1cc(CN2C[C@@H]3C[C@H]2C[NH2+]3)nn1 ZINC000631848318 369408998 /nfs/dbraw/zinc/40/89/98/369408998.db2.gz TXXBXJADNUQTOX-JQWIXIFHSA-N 1 0 233.319 0.400 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2COC[C@H]2O)cc1F ZINC000404124730 369420001 /nfs/dbraw/zinc/42/00/01/369420001.db2.gz QATXZQNSIBEZMZ-NWDGAFQWSA-N 1 0 236.246 0.547 20 30 BCEDRO N#Cc1cccc2c1CN(CCOCCO)C2 ZINC000405038841 369442746 /nfs/dbraw/zinc/44/27/46/369442746.db2.gz ATDHIRZTENWBLM-UHFFFAOYSA-N 1 0 232.283 0.883 20 30 BCEDRO CC[C@@H](C#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000259966874 370959634 /nfs/dbraw/zinc/95/96/34/370959634.db2.gz LVXBENXJZVBXOZ-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO N#CC1(CNC(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)CC1 ZINC000619529212 369462742 /nfs/dbraw/zinc/46/27/42/369462742.db2.gz WFOMEFCINOPDSJ-SNVBAGLBSA-N 1 0 248.330 0.826 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)NCCCC#N)C1 ZINC000259973586 370960616 /nfs/dbraw/zinc/96/06/16/370960616.db2.gz MJAHGPKQRGYLNR-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000619568645 369481481 /nfs/dbraw/zinc/48/14/81/369481481.db2.gz NZJKQSQOASRMIL-QWRGUYRKSA-N 1 0 236.319 0.636 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@@H]([NH3+])C[C@H]2C)C1=O ZINC000631862301 369505078 /nfs/dbraw/zinc/50/50/78/369505078.db2.gz NUULVFJLJOPOJF-VWYCJHECSA-N 1 0 223.320 0.195 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2CCO[C@H]2CC)C1=O ZINC000459764246 203359969 /nfs/dbraw/zinc/35/99/69/203359969.db2.gz BVCIJTBEXGYPCW-UTUOFQBUSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CCNC(=O)N(C)CCOCC[NH2+]C ZINC000630999560 369487782 /nfs/dbraw/zinc/48/77/82/369487782.db2.gz ACVMFFMHIDVOOX-UHFFFAOYSA-N 1 0 215.297 0.050 20 30 BCEDRO CC(C)C[C@@H](C#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000260196766 370983252 /nfs/dbraw/zinc/98/32/52/370983252.db2.gz VESBJUKESSGVLE-QWRGUYRKSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@H]1CN(C)CCO1 ZINC000619673121 369521189 /nfs/dbraw/zinc/52/11/89/369521189.db2.gz WKRJLVNMRFFIMV-WUHRBBMRSA-N 1 0 237.347 0.987 20 30 BCEDRO C=CCOCCC[NH2+][C@H]1COC[C@H]1OC ZINC000459785889 203367489 /nfs/dbraw/zinc/36/74/89/203367489.db2.gz AMXQIEDYKIZEBZ-WDEREUQCSA-N 1 0 215.293 0.583 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)C[C@@H]1CCC[C@H]1O ZINC000619719898 369550215 /nfs/dbraw/zinc/55/02/15/369550215.db2.gz LMUDJKNNNHUQKH-HBNTYKKESA-N 1 0 227.304 0.807 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000619722077 369552395 /nfs/dbraw/zinc/55/23/95/369552395.db2.gz ZXZDOPKWXZPWJO-NEPJUHHUSA-N 1 0 240.347 0.986 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1cncc(C#N)n1 ZINC000600676493 369557155 /nfs/dbraw/zinc/55/71/55/369557155.db2.gz XXTVQTYBCRFRQE-VHSXEESVSA-N 1 0 217.276 0.901 20 30 BCEDRO C[NH2+]C1(CNC(=O)c2cc(C#N)cn2C)CCC1 ZINC000600825353 369568524 /nfs/dbraw/zinc/56/85/24/369568524.db2.gz SMRZDGUVACXZDN-UHFFFAOYSA-N 1 0 246.314 0.769 20 30 BCEDRO CCOC(=O)C[C@H](O)CN(C)[C@H](C)CC#N ZINC000250657924 369569965 /nfs/dbraw/zinc/56/99/65/369569965.db2.gz CQCVBRLEBVFOBR-ZJUUUORDSA-N 1 0 228.292 0.534 20 30 BCEDRO N#Cc1cncc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000600885335 369571499 /nfs/dbraw/zinc/57/14/99/369571499.db2.gz QXZZXSHCZMSQOO-JQWIXIFHSA-N 1 0 243.314 0.927 20 30 BCEDRO CC[C@H]([NH3+])c1cn(-c2ncccc2C#N)nn1 ZINC000600976497 369582477 /nfs/dbraw/zinc/58/24/77/369582477.db2.gz QHMZHAXOUMPUPW-VIFPVBQESA-N 1 0 228.259 0.944 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@H]2COCC[C@H]2O)cc1 ZINC000601159608 369597719 /nfs/dbraw/zinc/59/77/19/369597719.db2.gz MTZFSWRKABKFFK-CHWSQXEVSA-N 1 0 232.283 0.798 20 30 BCEDRO N#Cc1ccc2c(c1)[C@H]([NH2+][C@H]1COC[C@H]1O)CC2 ZINC000601291284 369619910 /nfs/dbraw/zinc/61/99/10/369619910.db2.gz JEPHLSNQBMGTKO-HZSPNIEDSA-N 1 0 244.294 0.895 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)Nc2n[nH]cc2C#N)C1 ZINC000602165082 369756322 /nfs/dbraw/zinc/75/63/22/369756322.db2.gz PTSAYMFGZWONII-MRVPVSSYSA-N 1 0 233.275 0.562 20 30 BCEDRO N#Cc1nccc(N2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000601980319 369730247 /nfs/dbraw/zinc/73/02/47/369730247.db2.gz ICBXXTMDHDBRNO-CYBMUJFWSA-N 1 0 243.314 0.928 20 30 BCEDRO N#Cc1cc(N2CCC3(CC[NH2+]C3)CC2)ncn1 ZINC000601980038 369730481 /nfs/dbraw/zinc/73/04/81/369730481.db2.gz BRTUMSLUOICDON-UHFFFAOYSA-N 1 0 243.314 0.928 20 30 BCEDRO C[C@]1(F)C[NH2+]CCN(c2ccnc(C#N)n2)C1 ZINC000601981188 369731974 /nfs/dbraw/zinc/73/19/74/369731974.db2.gz QTOYLKOEORSTNL-NSHDSACASA-N 1 0 235.266 0.486 20 30 BCEDRO CCc1nc(C#N)cc(N2CC3CC2(C[NH3+])C3)n1 ZINC000601985818 369732270 /nfs/dbraw/zinc/73/22/70/369732270.db2.gz ZACNLBRJDQAYDG-UHFFFAOYSA-N 1 0 243.314 0.838 20 30 BCEDRO COC[C@H](CCO)[NH2+]Cc1cccc(C#N)n1 ZINC000602552218 369812186 /nfs/dbraw/zinc/81/21/86/369812186.db2.gz HASMJZAFUREAMA-LBPRGKRZSA-N 1 0 235.287 0.440 20 30 BCEDRO COC[C@@H](CCO)[NH2+]Cc1cccc(C#N)n1 ZINC000602552217 369812202 /nfs/dbraw/zinc/81/22/02/369812202.db2.gz HASMJZAFUREAMA-GFCCVEGCSA-N 1 0 235.287 0.440 20 30 BCEDRO COC[C@@](C)(CCO)[NH2+]Cc1cccc(C#N)n1 ZINC000602570523 369815956 /nfs/dbraw/zinc/81/59/56/369815956.db2.gz BQYYIUUSNDXXMM-CYBMUJFWSA-N 1 0 249.314 0.830 20 30 BCEDRO COC[C@](C)(CO)[NH2+]Cc1cccc(C#N)n1 ZINC000602589418 369818406 /nfs/dbraw/zinc/81/84/06/369818406.db2.gz RPVMBWVRTPZEPB-LBPRGKRZSA-N 1 0 235.287 0.440 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc(C#N)nc1 ZINC000602596576 369823183 /nfs/dbraw/zinc/82/31/83/369823183.db2.gz QCCIRRLYBYTTES-ONGXEEELSA-N 1 0 244.298 0.444 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCCCO)n1 ZINC000602638744 369832416 /nfs/dbraw/zinc/83/24/16/369832416.db2.gz HQGBTMOTLCXVAG-UHFFFAOYSA-N 1 0 205.261 0.815 20 30 BCEDRO COC[C@@H](CO)[NH2+]Cc1cccc(C#N)n1 ZINC000602637923 369832514 /nfs/dbraw/zinc/83/25/14/369832514.db2.gz KEHSTCQBHHBZTA-LLVKDONJSA-N 1 0 221.260 0.050 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@]2(CCO)CCOC2)n1 ZINC000602638943 369832642 /nfs/dbraw/zinc/83/26/42/369832642.db2.gz YRZGQLMWIKDAKS-CYBMUJFWSA-N 1 0 247.298 0.584 20 30 BCEDRO N#Cc1ccc(CC(=O)N[C@@H]2CCC[NH2+]C2)cn1 ZINC000602425900 369787027 /nfs/dbraw/zinc/78/70/27/369787027.db2.gz XXFHINLDSVFNKC-GFCCVEGCSA-N 1 0 244.298 0.364 20 30 BCEDRO N#Cc1ccc(CC(=O)N2CCC[C@@H]([NH3+])C2)cn1 ZINC000602421946 369787109 /nfs/dbraw/zinc/78/71/09/369787109.db2.gz QOTLNICAYSBKET-LLVKDONJSA-N 1 0 244.298 0.445 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602483633 369794097 /nfs/dbraw/zinc/79/40/97/369794097.db2.gz JJJPYEIFQFADNF-SNVBAGLBSA-N 1 0 246.314 0.767 20 30 BCEDRO CC[NH2+][C@H](C)CNC(=O)Cc1ccc(C#N)nc1 ZINC000602489089 369794815 /nfs/dbraw/zinc/79/48/15/369794815.db2.gz FRQWJJZLAIVLNA-SNVBAGLBSA-N 1 0 246.314 0.610 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCn2ccnc2)n1 ZINC000602501640 369797859 /nfs/dbraw/zinc/79/78/59/369797859.db2.gz BIXGQFOJHKTFFW-UHFFFAOYSA-N 1 0 227.271 0.940 20 30 BCEDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000602900383 369862482 /nfs/dbraw/zinc/86/24/82/369862482.db2.gz UMFKWYKSELDCBH-QWHCGFSZSA-N 1 0 247.298 0.271 20 30 BCEDRO CC[NH2+]Cc1cn(Cc2ccc(C#N)cn2)nn1 ZINC000603224130 369899771 /nfs/dbraw/zinc/89/97/71/369899771.db2.gz XAJZZOHGWTXDOB-UHFFFAOYSA-N 1 0 242.286 0.703 20 30 BCEDRO CC[NH2+]Cc1cn(Cc2ccncc2C#N)nn1 ZINC000603254128 369905359 /nfs/dbraw/zinc/90/53/59/369905359.db2.gz KMYPVWXBCNGOFS-UHFFFAOYSA-N 1 0 242.286 0.703 20 30 BCEDRO N#Cc1cccc(C[NH2+]CC[C@]2(O)CCOC2)n1 ZINC000602699244 369842914 /nfs/dbraw/zinc/84/29/14/369842914.db2.gz OHMGCUMQTVTQKV-ZDUSSCGKSA-N 1 0 247.298 0.584 20 30 BCEDRO C[NH+](C)[C@@H]1CCC[C@H]1Nc1ccnc(C#N)n1 ZINC000603406575 369952800 /nfs/dbraw/zinc/95/28/00/369952800.db2.gz KVQCNBGTZMEISG-NXEZZACHSA-N 1 0 231.303 0.665 20 30 BCEDRO C[NH+](C)[C@@H]1C[C@H](Nc2ccnc(C#N)n2)C1(C)C ZINC000603407303 369954612 /nfs/dbraw/zinc/95/46/12/369954612.db2.gz QMEPFGHAXPFMOA-VHSXEESVSA-N 1 0 245.330 0.911 20 30 BCEDRO CC[C@@H](C#N)C(=O)N(C)CCC[NH+](C)C ZINC000110895338 369999525 /nfs/dbraw/zinc/99/95/25/369999525.db2.gz KDZRIHCAXPLNID-JTQLQIEISA-N 1 0 211.309 0.946 20 30 BCEDRO C[C@H](CO)C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000604417940 370035205 /nfs/dbraw/zinc/03/52/05/370035205.db2.gz SNKAKVLQIVZGQG-VIFPVBQESA-N 1 0 245.286 0.319 20 30 BCEDRO CCc1nc(C#N)cc(NC[C@H](C)[NH3+])n1 ZINC000308237861 370114749 /nfs/dbraw/zinc/11/47/49/370114749.db2.gz WZMNNNIKNNWBJV-ZETCQYMHSA-N 1 0 205.265 0.670 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC000620903350 370051080 /nfs/dbraw/zinc/05/10/80/370051080.db2.gz NYBRJAAHNRKBDY-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCOCC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621153207 370125443 /nfs/dbraw/zinc/12/54/43/370125443.db2.gz NKLNSYAIBFMLKQ-LLVKDONJSA-N 1 0 226.320 0.645 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[C@@H]1CCC[NH2+]1 ZINC000063093060 370129859 /nfs/dbraw/zinc/12/98/59/370129859.db2.gz OEHHNIYUIFEAON-ZJUUUORDSA-N 1 0 209.293 0.889 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000063093166 370130375 /nfs/dbraw/zinc/13/03/75/370130375.db2.gz UFKFQXIKIDUSQA-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)c1ccc(C#N)cn1 ZINC000111397674 370139837 /nfs/dbraw/zinc/13/98/37/370139837.db2.gz MVPDOZJTIPHQJH-UHFFFAOYSA-N 1 0 246.314 0.977 20 30 BCEDRO C=CCC[N@@H+](C)CCS(=O)(=O)NC ZINC000621285302 370214547 /nfs/dbraw/zinc/21/45/47/370214547.db2.gz UHQGPXPECHPMDH-UHFFFAOYSA-N 1 0 206.311 0.044 20 30 BCEDRO C[NH+](C)C1CCN(c2ccnc(C#N)n2)CC1 ZINC000310458371 370345306 /nfs/dbraw/zinc/34/53/06/370345306.db2.gz ZXWMIUYIWJWLDG-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621692260 370440358 /nfs/dbraw/zinc/44/03/58/370440358.db2.gz JQUFIQWDPGMFJZ-AAEUAGOBSA-N 1 0 238.331 0.919 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621692261 370440443 /nfs/dbraw/zinc/44/04/43/370440443.db2.gz JQUFIQWDPGMFJZ-DGCLKSJQSA-N 1 0 238.331 0.919 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621692262 370440473 /nfs/dbraw/zinc/44/04/73/370440473.db2.gz JQUFIQWDPGMFJZ-WCQYABFASA-N 1 0 238.331 0.919 20 30 BCEDRO C=CCNC(=O)CN1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621778919 370527195 /nfs/dbraw/zinc/52/71/95/370527195.db2.gz XGNACUQEZHHUMI-CMPLNLGQSA-N 1 0 223.320 0.102 20 30 BCEDRO CN(C[C@H]1CCC[N@@H+]1C)c1nccnc1C#N ZINC000092631227 371106174 /nfs/dbraw/zinc/10/61/74/371106174.db2.gz YOSYNUPIDYRTAG-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO CC(C)[NH2+]CCCNC(=O)NCC1(C#N)CC1 ZINC000568966497 326383925 /nfs/dbraw/zinc/38/39/25/326383925.db2.gz XLCFPYCXLOGQEW-UHFFFAOYSA-N 1 0 238.335 0.977 20 30 BCEDRO C=CC1CCN(c2nc(N)[nH+]c(N)n2)CC1 ZINC000623960961 371198782 /nfs/dbraw/zinc/19/87/82/371198782.db2.gz NPTGUEASAIAAKD-UHFFFAOYSA-N 1 0 220.280 0.099 20 30 BCEDRO C=CCC[C@H](C)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624250850 371437219 /nfs/dbraw/zinc/43/72/19/371437219.db2.gz CSGXTFMABHTYQB-WDEREUQCSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCC[C@@H](C)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624250848 371437844 /nfs/dbraw/zinc/43/78/44/371437844.db2.gz CSGXTFMABHTYQB-MNOVXSKESA-N 1 0 226.320 0.917 20 30 BCEDRO C=CC[C@@H]1CCCC[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624384792 371496518 /nfs/dbraw/zinc/49/65/18/371496518.db2.gz DXIISAZEYIHOGN-BDAKNGLRSA-N 1 0 248.334 0.665 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226030330 371601182 /nfs/dbraw/zinc/60/11/82/371601182.db2.gz DAUFLFGUYRFRTH-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC(C)(C)CCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000627403487 371602466 /nfs/dbraw/zinc/60/24/66/371602466.db2.gz IRNMQUQZGAGSFY-SECBINFHSA-N 1 0 241.335 0.168 20 30 BCEDRO C=CCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627649887 371807813 /nfs/dbraw/zinc/80/78/13/371807813.db2.gz PEGWQGBWKXBPHJ-IAZYJMLFSA-N 1 0 208.305 0.971 20 30 BCEDRO CN(CCC[NH3+])C(=O)c1cccc(C#N)c1 ZINC000227745927 371929478 /nfs/dbraw/zinc/92/94/78/371929478.db2.gz ABLABLXPRJRKED-UHFFFAOYSA-N 1 0 217.272 0.979 20 30 BCEDRO CO[C@@H](C[NH3+])CC(=O)Nc1cccc(C#N)c1 ZINC000232111275 372105874 /nfs/dbraw/zinc/10/58/74/372105874.db2.gz JJPSPRLKYCIMKL-LLVKDONJSA-N 1 0 233.271 0.861 20 30 BCEDRO C=C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631756386 372560625 /nfs/dbraw/zinc/56/06/25/372560625.db2.gz PGIYFCSCNPKMHK-JTQLQIEISA-N 1 0 236.319 0.749 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1C[C@H]([NH3+])C[C@@H]1C ZINC000631858417 372658151 /nfs/dbraw/zinc/65/81/51/372658151.db2.gz YJZWLVCQJMATHP-NWDGAFQWSA-N 1 0 237.347 0.609 20 30 BCEDRO C=CCN(C1CC1)S(=O)(=O)CCC[NH+](C)C ZINC000632178600 372793675 /nfs/dbraw/zinc/79/36/75/372793675.db2.gz XLDBYUVHLSFNMA-UHFFFAOYSA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCCNS(=O)(=O)CCC[NH+](C)C ZINC000632549390 373000890 /nfs/dbraw/zinc/00/08/90/373000890.db2.gz RNEATQJOPUENGF-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO Cc1ccc(C#N)c(NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000162070586 205724910 /nfs/dbraw/zinc/72/49/10/205724910.db2.gz CIMUKBSVEPELRC-CYBMUJFWSA-N 1 0 248.330 0.986 20 30 BCEDRO C#CCCN(C)[C@H]1CCS(=O)(=O)C1 ZINC000070159541 374122631 /nfs/dbraw/zinc/12/26/31/374122631.db2.gz AWVDBEGTHMQAFI-VIFPVBQESA-N 1 0 201.291 0.129 20 30 BCEDRO CC#CCN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178500462 206008429 /nfs/dbraw/zinc/00/84/29/206008429.db2.gz ABXULKFOKUYVGC-CYBMUJFWSA-N 1 0 222.332 0.664 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)NCC1CCC1 ZINC000424088081 206029377 /nfs/dbraw/zinc/02/93/77/206029377.db2.gz IYETUAPSPCJBMF-JTQLQIEISA-N 1 0 209.293 0.924 20 30 BCEDRO COC[C@H](C)N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424092337 206029608 /nfs/dbraw/zinc/02/96/08/206029608.db2.gz OQACTBQFXOZDJW-UWVGGRQHSA-N 1 0 227.308 0.501 20 30 BCEDRO C=CCn1cc(CN[C@H](C)C[C@@H](C)[NH3+])nn1 ZINC000424378666 206039897 /nfs/dbraw/zinc/03/98/97/206039897.db2.gz OANBWGLJILULJV-NXEZZACHSA-N 1 0 223.324 0.680 20 30 BCEDRO C=CCCS(=O)(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000440440265 206077005 /nfs/dbraw/zinc/07/70/05/206077005.db2.gz FLCZCFQGVPXVIS-LLVKDONJSA-N 1 0 244.360 0.719 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COCC(C)C ZINC000451595644 206109642 /nfs/dbraw/zinc/10/96/42/206109642.db2.gz DREZSJCNFWMBMA-UPJWGTAASA-N 1 0 243.347 0.953 20 30 BCEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459701862 206137906 /nfs/dbraw/zinc/13/79/06/206137906.db2.gz QQHCGOSCMROCJT-TUAOUCFPSA-N 1 0 238.335 0.829 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC([C@H](C)O)CC1 ZINC000225782197 259592969 /nfs/dbraw/zinc/59/29/69/259592969.db2.gz MTFNWLBPOBEFTL-MNOVXSKESA-N 1 0 238.331 0.217 20 30 BCEDRO CCC[NH2+]CCNc1nccc(C#N)n1 ZINC000231942381 169260023 /nfs/dbraw/zinc/26/00/23/169260023.db2.gz XCTVNUDSCCNLFH-UHFFFAOYSA-N 1 0 205.265 0.760 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)CCCCCO ZINC000227116311 134372864 /nfs/dbraw/zinc/37/28/64/134372864.db2.gz KBNQJQGRYGVBAK-UHFFFAOYSA-N 1 0 214.309 0.383 20 30 BCEDRO C#CCNC(=O)C[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000087973351 383823916 /nfs/dbraw/zinc/82/39/16/383823916.db2.gz YCXFWWTUXYHNOK-WDEREUQCSA-N 1 0 208.305 0.762 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2cc(C#N)ccn2)C1 ZINC000288247051 383834233 /nfs/dbraw/zinc/83/42/33/383834233.db2.gz BGCRQMJWACYXSL-UHFFFAOYSA-N 1 0 230.271 0.339 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NCC[N@@H+](C)CCOC ZINC000116955896 383932655 /nfs/dbraw/zinc/93/26/55/383932655.db2.gz GYGVRJIBWURSCV-LLVKDONJSA-N 1 0 243.351 0.828 20 30 BCEDRO C#CCNC(=O)[C@H](C)N(C)CC[NH+]1CCCC1 ZINC000089899399 383899228 /nfs/dbraw/zinc/89/92/28/383899228.db2.gz TXCRVLZLYLAOAG-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C[NH+](C)CCNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000234252461 383899888 /nfs/dbraw/zinc/89/98/88/383899888.db2.gz GYJUROARXDESAJ-UHFFFAOYSA-N 1 0 235.247 0.835 20 30 BCEDRO C=C(C)COCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000163591450 383995799 /nfs/dbraw/zinc/99/57/99/383995799.db2.gz LYLZDPZWENFBMK-OLZOCXBDSA-N 1 0 242.363 0.936 20 30 BCEDRO C[C@H](NC(=O)CC#N)C(C)(C)C[NH+](C)C ZINC000332465113 384001254 /nfs/dbraw/zinc/00/12/54/384001254.db2.gz JYIVCEAPKDBBLH-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO C#CCC[NH+]1CCN(CC(=O)OCC)CC1 ZINC000152966407 384089016 /nfs/dbraw/zinc/08/90/16/384089016.db2.gz HMGFYQIERFHXMJ-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO C=CCn1cc(C(=O)N2CC[NH2+][C@H](C)[C@@H]2C)nn1 ZINC000648127963 384057426 /nfs/dbraw/zinc/05/74/26/384057426.db2.gz UEJDJZRZFQBAMO-ZJUUUORDSA-N 1 0 249.318 0.287 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000363461644 384063942 /nfs/dbraw/zinc/06/39/42/384063942.db2.gz VTFQMHXZJAWOIA-LLVKDONJSA-N 1 0 242.344 0.166 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000646882421 384072484 /nfs/dbraw/zinc/07/24/84/384072484.db2.gz QSYTYHTXNJWPLW-WDEREUQCSA-N 1 0 226.320 0.334 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000078724254 384078125 /nfs/dbraw/zinc/07/81/25/384078125.db2.gz GLRKKLOZXBXAHE-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO Cc1cc(C#N)cnc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000560620414 384157393 /nfs/dbraw/zinc/15/73/93/384157393.db2.gz GBHAUMBNZVYWEN-JTQLQIEISA-N 1 0 246.314 0.942 20 30 BCEDRO COc1cc(CN2C[C@@H](O)[C@@H](O)C2)ccc1C#N ZINC000235012711 384173748 /nfs/dbraw/zinc/17/37/48/384173748.db2.gz DKKWKKGWJUJRPE-TXEJJXNPSA-N 1 0 248.282 0.104 20 30 BCEDRO COC(=O)N1CCC([NH2+]C[C@H](C)C#N)CC1 ZINC000309621718 384182117 /nfs/dbraw/zinc/18/21/17/384182117.db2.gz FJZFIKLBQQSZGX-SECBINFHSA-N 1 0 225.292 0.966 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H](C[NH2+]C)C1 ZINC000221297350 384200148 /nfs/dbraw/zinc/20/01/48/384200148.db2.gz KAXLSADFIMMHJY-QWRGUYRKSA-N 1 0 225.336 0.218 20 30 BCEDRO Cn1cnc(CNC(=[NH2+])NC2CCCCC2)n1 ZINC000132390864 384229020 /nfs/dbraw/zinc/22/90/20/384229020.db2.gz CGYZWGBAYBURJF-UHFFFAOYSA-N 1 0 236.323 0.552 20 30 BCEDRO CS[C@@H]1CC[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000425342427 384271639 /nfs/dbraw/zinc/27/16/39/384271639.db2.gz AADROATVJIBSSZ-DTWKUNHWSA-N 1 0 237.332 0.633 20 30 BCEDRO CS[C@H]1CC[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000425342428 384272961 /nfs/dbraw/zinc/27/29/61/384272961.db2.gz AADROATVJIBSSZ-IUCAKERBSA-N 1 0 237.332 0.633 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000187815617 384276504 /nfs/dbraw/zinc/27/65/04/384276504.db2.gz QDKMGEAYLMZGBX-MNOVXSKESA-N 1 0 238.335 0.739 20 30 BCEDRO CC[C@@H](COC)[NH2+]CCn1cnc(C#N)n1 ZINC000287457454 384299275 /nfs/dbraw/zinc/29/92/75/384299275.db2.gz LRRTXQTZVFIVME-VIFPVBQESA-N 1 0 223.280 0.164 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000035247631 384300482 /nfs/dbraw/zinc/30/04/82/384300482.db2.gz NBVCAOUGCXJGEQ-DCAQKATOSA-N 1 0 226.320 0.834 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C)O[C@@]2(CCOC2)C1 ZINC000373793975 533056260 /nfs/dbraw/zinc/05/62/60/533056260.db2.gz YRDVNHKTYFOULL-NEPJUHHUSA-N 1 0 209.289 0.890 20 30 BCEDRO COC[C@H](CO)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000330363813 384365886 /nfs/dbraw/zinc/36/58/86/384365886.db2.gz UFUOQQYIKVYFHQ-VWYCJHECSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000330364195 384367626 /nfs/dbraw/zinc/36/76/26/384367626.db2.gz GVAPWSRRUQOKBW-ZYHUDNBSSA-N 1 0 226.320 0.429 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNc1cncc(C#N)n1 ZINC000401207215 384394235 /nfs/dbraw/zinc/39/42/35/384394235.db2.gz KLDPSJRXYDHKLE-LLVKDONJSA-N 1 0 246.318 0.006 20 30 BCEDRO CNC(NC[C@](C)(O)c1ccsc1)=[NH+]C ZINC000077965883 384422734 /nfs/dbraw/zinc/42/27/34/384422734.db2.gz GJYDVHSKVGKYKQ-JTQLQIEISA-N 1 0 227.333 0.750 20 30 BCEDRO C#CC[NH+]1CCC(OCCC(=O)NC)CC1 ZINC000490759918 384378279 /nfs/dbraw/zinc/37/82/79/384378279.db2.gz IADLNQQFIHWXAK-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO CC#CC[N@H+](C)C[C@H](O)COC[C@H]1CCCO1 ZINC000550499822 384390502 /nfs/dbraw/zinc/39/05/02/384390502.db2.gz ACBVLIGTLUFKSZ-QWHCGFSZSA-N 1 0 241.331 0.498 20 30 BCEDRO CC(C)(C#N)CNC[C@@H](O)C[NH+]1CCCC1 ZINC000600738410 384431271 /nfs/dbraw/zinc/43/12/71/384431271.db2.gz ZYFZODKWSPPATO-LLVKDONJSA-N 1 0 225.336 0.582 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@]2(CO)CCOC2)C1 ZINC000308901594 384436048 /nfs/dbraw/zinc/43/60/48/384436048.db2.gz HGDLSTMJDPPOMI-MXWKQRLJSA-N 1 0 210.277 0.420 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000490850261 384438147 /nfs/dbraw/zinc/43/81/47/384438147.db2.gz AVPDEKLLZTZHCH-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO CC#CCC[NH2+]Cc1nccnc1OC ZINC000449228255 384441234 /nfs/dbraw/zinc/44/12/34/384441234.db2.gz SOSGRVQOXBKODO-UHFFFAOYSA-N 1 0 205.261 0.988 20 30 BCEDRO C[NH+](C)CCNC(=O)Cc1ccc(C#N)cc1 ZINC000070159190 384442462 /nfs/dbraw/zinc/44/24/62/384442462.db2.gz GVNUNAMXBNPGHR-UHFFFAOYSA-N 1 0 231.299 0.779 20 30 BCEDRO CNC(NC[C@@](C)(O)c1ccsc1)=[NH+]C ZINC000077965881 134411448 /nfs/dbraw/zinc/41/14/48/134411448.db2.gz GJYDVHSKVGKYKQ-SNVBAGLBSA-N 1 0 227.333 0.750 20 30 BCEDRO CCN(CC)c1ccc(CNC(N)=[NH2+])cn1 ZINC000161509711 384496655 /nfs/dbraw/zinc/49/66/55/384496655.db2.gz TUCYKHRIGMVNLU-UHFFFAOYSA-N 1 0 221.308 0.701 20 30 BCEDRO C#CCC[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000282929151 533068503 /nfs/dbraw/zinc/06/85/03/533068503.db2.gz YWBBYPSNKGKLAF-SNVBAGLBSA-N 1 0 206.289 0.801 20 30 BCEDRO C=CCOCC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000517882907 384547083 /nfs/dbraw/zinc/54/70/83/384547083.db2.gz BMQGYYCMNBEANK-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCOCCCC(=O)N1CCC[NH2+]CC1 ZINC000236671684 384551069 /nfs/dbraw/zinc/55/10/69/384551069.db2.gz AHJTWCHPVJOPRU-UHFFFAOYSA-N 1 0 226.320 0.791 20 30 BCEDRO CC(C)[N@@H+](Cc1ccc(C#N)cn1)C[C@@H](O)CO ZINC000564587038 384552678 /nfs/dbraw/zinc/55/26/78/384552678.db2.gz ZKQWGGQQZFNUEI-CYBMUJFWSA-N 1 0 249.314 0.517 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+]CC ZINC000151434738 384572925 /nfs/dbraw/zinc/57/29/25/384572925.db2.gz ANXOWHDNWVGTRH-SNVBAGLBSA-N 1 0 214.309 0.693 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000646901224 384574755 /nfs/dbraw/zinc/57/47/55/384574755.db2.gz YKDZYHMGTABGNQ-WDEREUQCSA-N 1 0 228.336 0.626 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@H]3CC[NH2+][C@H]3C2)C1=O ZINC000643064982 384588296 /nfs/dbraw/zinc/58/82/96/384588296.db2.gz MVIJPXQAELZGJB-AGIUHOORSA-N 1 0 249.358 0.457 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)NC2(C#N)CCCC2)C1 ZINC000335898528 384591823 /nfs/dbraw/zinc/59/18/23/384591823.db2.gz BCDYLWYRYKYRLN-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@@H]1NCC#N ZINC000363712100 384725644 /nfs/dbraw/zinc/72/56/44/384725644.db2.gz IZRTZJHGDGZARU-AGIUHOORSA-N 1 0 237.347 0.989 20 30 BCEDRO C=CCOCCCC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449601240 384677277 /nfs/dbraw/zinc/67/72/77/384677277.db2.gz MGVCTVQTSHQZHA-ZJUUUORDSA-N 1 0 214.309 0.821 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000050115102 384694606 /nfs/dbraw/zinc/69/46/06/384694606.db2.gz DCIRWKWFUIIMQS-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000491788561 384714935 /nfs/dbraw/zinc/71/49/35/384714935.db2.gz XWJSXYGBKBUZNY-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(COC)C1 ZINC000491806832 384780807 /nfs/dbraw/zinc/78/08/07/384780807.db2.gz RPDOBZKLFBTHSJ-YPMHNXCESA-N 1 0 238.331 0.483 20 30 BCEDRO CCC[C@]1([NH2+]CC(=O)NCC#N)CCOC1 ZINC000309729021 384778506 /nfs/dbraw/zinc/77/85/06/384778506.db2.gz ZARQHSLCHBSVBS-NSHDSACASA-N 1 0 225.292 0.175 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)c2ccn[nH]2)CC1 ZINC000058003512 384747164 /nfs/dbraw/zinc/74/71/64/384747164.db2.gz STCDOUZDXLJLBQ-UHFFFAOYSA-N 1 0 233.275 0.127 20 30 BCEDRO CN1C[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)CC1=O ZINC000309969493 384749516 /nfs/dbraw/zinc/74/95/16/384749516.db2.gz OSCKFOGLOWSARD-GMTAPVOTSA-N 1 0 221.304 0.889 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(COC)C1 ZINC000491806830 384779714 /nfs/dbraw/zinc/77/97/14/384779714.db2.gz RPDOBZKLFBTHSJ-DGCLKSJQSA-N 1 0 238.331 0.483 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1C=CCCC1 ZINC000518168927 384758951 /nfs/dbraw/zinc/75/89/51/384758951.db2.gz LRTLTQFOYMPBNS-QWHCGFSZSA-N 1 0 237.347 0.891 20 30 BCEDRO N#CCC[N@@H+](CCC(=O)NC(N)=O)CC1CC1 ZINC000174697043 384825661 /nfs/dbraw/zinc/82/56/61/384825661.db2.gz GJJRNICWHPALET-UHFFFAOYSA-N 1 0 238.291 0.197 20 30 BCEDRO C[N@H+](CCCCC#N)CCOCCO ZINC000301014379 384828913 /nfs/dbraw/zinc/82/89/13/384828913.db2.gz HOFBBSJLBQZKOO-UHFFFAOYSA-N 1 0 200.282 0.621 20 30 BCEDRO C=CCCOCC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000648189409 384799967 /nfs/dbraw/zinc/79/99/67/384799967.db2.gz QJTRZNYIFSCJFZ-NXEZZACHSA-N 1 0 214.309 0.821 20 30 BCEDRO Cc1noc(CCNC(=[NH2+])NC(C)(C)C)n1 ZINC000104183008 384806832 /nfs/dbraw/zinc/80/68/32/384806832.db2.gz DYYHMLJEYAAJIH-UHFFFAOYSA-N 1 0 225.296 0.623 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(CCO)CC1 ZINC000400972697 384814531 /nfs/dbraw/zinc/81/45/31/384814531.db2.gz NPFOTMHNODPXMF-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO CC[NH+](CC)CCCn1cnc(C#N)n1 ZINC000188274272 384871085 /nfs/dbraw/zinc/87/10/85/384871085.db2.gz MXOYTYSIYKRBMK-UHFFFAOYSA-N 1 0 207.281 0.882 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCC[C@H]1CCO ZINC000491117908 384880684 /nfs/dbraw/zinc/88/06/84/384880684.db2.gz AOAIJLZGDONRQN-LBPRGKRZSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NOCC2CC2)CC1 ZINC000491096248 384846596 /nfs/dbraw/zinc/84/65/96/384846596.db2.gz QNMWFFSRXMLCKD-UHFFFAOYSA-N 1 0 236.315 0.789 20 30 BCEDRO C=CCN1CCC([NH2+]C[C@@H](O)COCC)CC1 ZINC000644549095 384949520 /nfs/dbraw/zinc/94/95/20/384949520.db2.gz QCSQCFBICWJJDW-CYBMUJFWSA-N 1 0 242.363 0.624 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CC(N)=O ZINC000308654651 384891702 /nfs/dbraw/zinc/89/17/02/384891702.db2.gz NHBQBCXJHBXKSW-IUCAKERBSA-N 1 0 200.282 0.025 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000528373981 384899796 /nfs/dbraw/zinc/89/97/96/384899796.db2.gz SFTGDTMWJVVHFO-VHSXEESVSA-N 1 0 210.277 0.108 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@](C)(OC)C1CC1 ZINC000491484776 384997801 /nfs/dbraw/zinc/99/78/01/384997801.db2.gz KUJFHIHIYYBFCA-ZDUSSCGKSA-N 1 0 238.331 0.531 20 30 BCEDRO CN(c1cc(C#N)ncn1)[C@H]1CCC[N@H+](C)C1 ZINC000258723857 385017901 /nfs/dbraw/zinc/01/79/01/385017901.db2.gz GNXMQQSREBEVFO-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO CC[N@@H+]1CCCN(CCOCCC#N)CC1 ZINC000338954369 384962070 /nfs/dbraw/zinc/96/20/70/384962070.db2.gz OGGIUKADNDCHJX-UHFFFAOYSA-N 1 0 225.336 0.944 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]CCCc1cnn(C)c1 ZINC000320360711 384963058 /nfs/dbraw/zinc/96/30/58/384963058.db2.gz DWCJXQYFFATCNZ-LBPRGKRZSA-N 1 0 223.320 0.879 20 30 BCEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@H](C)C#N ZINC000516661567 385053631 /nfs/dbraw/zinc/05/36/31/385053631.db2.gz MHTXGUWUERBXOH-MNOVXSKESA-N 1 0 241.335 0.355 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000646911933 385064882 /nfs/dbraw/zinc/06/48/82/385064882.db2.gz KAKJWTWUZYHTRL-GVXVVHGQSA-N 1 0 238.331 0.476 20 30 BCEDRO CN(C)C(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000245565244 385027947 /nfs/dbraw/zinc/02/79/47/385027947.db2.gz WMIKREOUEBDPQE-IVZWLZJFSA-N 1 0 223.320 0.820 20 30 BCEDRO C=CCNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000334144394 385041090 /nfs/dbraw/zinc/04/10/90/385041090.db2.gz XRQSIPAJWGYSIU-ZJUUUORDSA-N 1 0 211.309 0.954 20 30 BCEDRO C#CCCCCNC(=[NH2+])N1CCOCC1 ZINC000129159591 385114320 /nfs/dbraw/zinc/11/43/20/385114320.db2.gz CFPUFVPQHMPDSI-UHFFFAOYSA-N 1 0 209.293 0.437 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]1C ZINC000088696670 385141592 /nfs/dbraw/zinc/14/15/92/385141592.db2.gz LGKLEIOGQSVXLF-GHMZBOCLSA-N 1 0 208.305 0.904 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000647001214 385135130 /nfs/dbraw/zinc/13/51/30/385135130.db2.gz SADINTIJDGZHCQ-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1C1CCC1 ZINC000108860903 385096108 /nfs/dbraw/zinc/09/61/08/385096108.db2.gz TTXWZANFWPILQX-LLVKDONJSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1C(=O)NC ZINC000246045266 385101263 /nfs/dbraw/zinc/10/12/63/385101263.db2.gz SPCDPWFAQJZIJJ-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@](C)(CC)C(N)=O ZINC000305049539 385192460 /nfs/dbraw/zinc/19/24/60/385192460.db2.gz BYIDUZBJPKBIPR-GXSJLCMTSA-N 1 0 214.309 0.557 20 30 BCEDRO C=CCOc1cccnc1C(=O)NC[C@@H](C)[NH3+] ZINC000647023001 385155475 /nfs/dbraw/zinc/15/54/75/385155475.db2.gz LDBMHPUXMQBQAI-SECBINFHSA-N 1 0 235.287 0.723 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000178005196 385169179 /nfs/dbraw/zinc/16/91/79/385169179.db2.gz WQOPFZUPUBJWOJ-CYBMUJFWSA-N 1 0 240.347 0.868 20 30 BCEDRO Cc1nsc(NC[C@H]2C[NH2+]CCO2)c1C#N ZINC000333751126 385173830 /nfs/dbraw/zinc/17/38/30/385173830.db2.gz ZABWLVPOSYQZNB-MRVPVSSYSA-N 1 0 238.316 0.724 20 30 BCEDRO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427800565 385174491 /nfs/dbraw/zinc/17/44/91/385174491.db2.gz SPLQUKQVCXUUBY-LPEHRKFASA-N 1 0 207.277 0.166 20 30 BCEDRO C#CCN(C(=O)NC[C@H]1CCC[N@H+]1C)C1CC1 ZINC000491229936 385211202 /nfs/dbraw/zinc/21/12/02/385211202.db2.gz JYPWWGPZTWVDSL-GFCCVEGCSA-N 1 0 235.331 0.888 20 30 BCEDRO C=CCCOCC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000647067977 385212294 /nfs/dbraw/zinc/21/22/94/385212294.db2.gz HNARCCAZFSSIEI-BDAKNGLRSA-N 1 0 200.282 0.431 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]([NH3+])CC ZINC000647069274 385215759 /nfs/dbraw/zinc/21/57/59/385215759.db2.gz FXIOHENBNHFVAP-SECBINFHSA-N 1 0 200.282 0.433 20 30 BCEDRO C[C@H](C[S@@](C)=O)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189598037 385218136 /nfs/dbraw/zinc/21/81/36/385218136.db2.gz VDDKFCQSCVKBAR-JDNHERCYSA-N 1 0 239.344 0.753 20 30 BCEDRO C=CCCOCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000647071364 385218026 /nfs/dbraw/zinc/21/80/26/385218026.db2.gz VBMSKZNZJYSJDG-MRVPVSSYSA-N 1 0 236.262 0.678 20 30 BCEDRO C#CC[N@@H+](C)CCCNc1nccn(C)c1=O ZINC000292821290 533108982 /nfs/dbraw/zinc/10/89/82/533108982.db2.gz OWHJMEFCBNPVOH-UHFFFAOYSA-N 1 0 234.303 0.147 20 30 BCEDRO N#CCCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000068941584 385223430 /nfs/dbraw/zinc/22/34/30/385223430.db2.gz NZLPTUMQJGIGOV-SECBINFHSA-N 1 0 216.306 0.457 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000308873233 385239843 /nfs/dbraw/zinc/23/98/43/385239843.db2.gz LTXOCIUTEIMGCU-SNVBAGLBSA-N 1 0 205.261 0.533 20 30 BCEDRO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308889853 385244029 /nfs/dbraw/zinc/24/40/29/385244029.db2.gz XEHGONFTZJLUFQ-UTLUCORTSA-N 1 0 230.333 0.701 20 30 BCEDRO C#CC[N@H+](C)CCCNc1nnc(C)o1 ZINC000292707813 533110182 /nfs/dbraw/zinc/11/01/82/533110182.db2.gz GPEXXSIFDGWFIX-UHFFFAOYSA-N 1 0 208.265 0.745 20 30 BCEDRO C[N@H+](CCNC(=O)c1cc(C#N)ccn1)C1CC1 ZINC000287610152 385204567 /nfs/dbraw/zinc/20/45/67/385204567.db2.gz SWBMXVAMQRSAMO-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO N#CCCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000407989608 385311294 /nfs/dbraw/zinc/31/12/94/385311294.db2.gz KRHTYJBOVJZWMS-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([N@@H+]2CCC[C@@H](CC)C2)C1=O ZINC000491255837 385259922 /nfs/dbraw/zinc/25/99/22/385259922.db2.gz YEVBFINUDZRBJB-VXGBXAGGSA-N 1 0 248.326 0.869 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000407991592 385322721 /nfs/dbraw/zinc/32/27/21/385322721.db2.gz WORFKQDZHWLIHP-VWYCJHECSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000644732394 385294013 /nfs/dbraw/zinc/29/40/13/385294013.db2.gz IIVNQOGOMRXEFG-RWMBFGLXSA-N 1 0 224.348 0.949 20 30 BCEDRO C=CC[NH2+][C@H](C(=O)N1CCOCC1)C(C)C ZINC000180065284 385383110 /nfs/dbraw/zinc/38/31/10/385383110.db2.gz MNRAMFZQJDIUQM-NSHDSACASA-N 1 0 226.320 0.645 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000407991590 385325040 /nfs/dbraw/zinc/32/50/40/385325040.db2.gz WORFKQDZHWLIHP-OUAUKWLOSA-N 1 0 223.320 0.993 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247357760 385326433 /nfs/dbraw/zinc/32/64/33/385326433.db2.gz OJGSQKQIYNURDL-WCQYABFASA-N 1 0 236.315 0.237 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000407993561 385328612 /nfs/dbraw/zinc/32/86/12/385328612.db2.gz QEAVGMUESQSPPP-HBNTYKKESA-N 1 0 236.319 0.682 20 30 BCEDRO CS(=O)(=O)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309080993 385400408 /nfs/dbraw/zinc/40/04/08/385400408.db2.gz PNLNAUUGUCNXID-NXEZZACHSA-N 1 0 230.333 0.703 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C=Cc1c[nH]cn1 ZINC000492813674 385439759 /nfs/dbraw/zinc/43/97/59/385439759.db2.gz QGNJGYVIPIRCOH-ORAHPGNNSA-N 1 0 235.287 0.724 20 30 BCEDRO COCCCNC(=[NH2+])Nc1ccccn1 ZINC000170905045 385454242 /nfs/dbraw/zinc/45/42/42/385454242.db2.gz OUADIMKHMXAQIV-UHFFFAOYSA-N 1 0 208.265 0.845 20 30 BCEDRO CNC(=O)CNC(=[NH2+])Nc1ccc(OC)cc1 ZINC000170907009 385454945 /nfs/dbraw/zinc/45/49/45/385454945.db2.gz MEFFWYXBHYAIOO-UHFFFAOYSA-N 1 0 236.275 0.168 20 30 BCEDRO CN(C)C(=[NH2+])NCC[C@H]1c2ccccc2NC1=O ZINC000170907294 385455196 /nfs/dbraw/zinc/45/51/96/385455196.db2.gz PTQHRERYJVIPJE-JTQLQIEISA-N 1 0 246.314 0.989 20 30 BCEDRO CN(C)C(=[NH2+])NCCN1c2ccccc2CC1=O ZINC000170909727 385455363 /nfs/dbraw/zinc/45/53/63/385455363.db2.gz NYXASAFUJUOYEN-UHFFFAOYSA-N 1 0 246.314 0.452 20 30 BCEDRO COC(=O)[C@H](C)CNC(=[NH2+])Nc1ccccn1 ZINC000170914558 385455931 /nfs/dbraw/zinc/45/59/31/385455931.db2.gz JNFOVGPGZSDNID-MRVPVSSYSA-N 1 0 236.275 0.617 20 30 BCEDRO CN(C)C(=[NH2+])NCC(=O)N1CCc2ccccc21 ZINC000170914576 385456050 /nfs/dbraw/zinc/45/60/50/385456050.db2.gz OHCSQTRFRKQEMZ-UHFFFAOYSA-N 1 0 246.314 0.452 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000182270180 385436013 /nfs/dbraw/zinc/43/60/13/385436013.db2.gz STWJQWUCRYTUOB-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO C#C[C@H](C)N(C)CC(=O)NC(=O)NCCC ZINC000491372304 385459942 /nfs/dbraw/zinc/45/99/42/385459942.db2.gz ISVRKISDTVGDFV-VIFPVBQESA-N 1 0 225.292 0.176 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000644130879 385509897 /nfs/dbraw/zinc/50/98/97/385509897.db2.gz XGRYOXWCKUEQSF-GFCCVEGCSA-N 1 0 226.320 0.776 20 30 BCEDRO C=CCN(CCCC#N)[C@@H]1CCS(=O)(=O)C1 ZINC000171747878 385513158 /nfs/dbraw/zinc/51/31/58/385513158.db2.gz SCGYSYLYIBSANC-LLVKDONJSA-N 1 0 242.344 0.965 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644143616 385531164 /nfs/dbraw/zinc/53/11/64/385531164.db2.gz VIKCIDUELNUXNP-JTQLQIEISA-N 1 0 224.304 0.447 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000644146458 385538183 /nfs/dbraw/zinc/53/81/83/385538183.db2.gz OBDKNBBJTPICJL-NSHDSACASA-N 1 0 238.331 0.837 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N2CC[C@](F)(C#N)C2)CC[N@@H+]1C ZINC000592790869 385577470 /nfs/dbraw/zinc/57/74/70/385577470.db2.gz BANALRZNWANABQ-FOGDFJRCSA-N 1 0 239.294 0.791 20 30 BCEDRO C#C[C@H]1COCCN1C[C@@H]1CC2(CCC2)C(=O)O1 ZINC000491698665 385561057 /nfs/dbraw/zinc/56/10/57/385561057.db2.gz BPCXZSLVYHOZSG-RYUDHWBXSA-N 1 0 249.310 0.806 20 30 BCEDRO CC(C)(C)OC(=O)CN1CC[C@](O)(CC#N)C1 ZINC000592146616 385567778 /nfs/dbraw/zinc/56/77/78/385567778.db2.gz DHCSAKHSGDEZNZ-GFCCVEGCSA-N 1 0 240.303 0.679 20 30 BCEDRO Cc1cc(CN2CC[C@](O)(CC#N)C2)on1 ZINC000592147012 385568128 /nfs/dbraw/zinc/56/81/28/385568128.db2.gz LLVYRLIMGDWQGT-LLVKDONJSA-N 1 0 221.260 0.834 20 30 BCEDRO C=CCNC(=O)C[NH2+]CC1(OC)CCCC1 ZINC000309407179 385572546 /nfs/dbraw/zinc/57/25/46/385572546.db2.gz BBMIOEFUUBLVHV-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO CO[C@H](C)[C@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000309443612 385584321 /nfs/dbraw/zinc/58/43/21/385584321.db2.gz JEDYVTMOGFCGHC-DTWKUNHWSA-N 1 0 223.280 0.163 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000309455326 385588296 /nfs/dbraw/zinc/58/82/96/385588296.db2.gz MGNORVPWGWSUMW-QWRGUYRKSA-N 1 0 228.336 0.816 20 30 BCEDRO C[C@H](C[S@@](C)=O)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598724370 385629549 /nfs/dbraw/zinc/62/95/49/385629549.db2.gz OHTIMTOACUJXPL-XIZWVBILSA-N 1 0 246.376 0.644 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](C(=O)OC)[C@H](C)C1 ZINC000595822681 385641345 /nfs/dbraw/zinc/64/13/45/385641345.db2.gz ARIKQSCWZZNRFK-NEPJUHHUSA-N 1 0 239.315 0.767 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000645229358 385691544 /nfs/dbraw/zinc/69/15/44/385691544.db2.gz XVNYRIOMGFXSDH-TUAOUCFPSA-N 1 0 212.337 0.948 20 30 BCEDRO C#CCNC(NC[C@H]1CCCCO1)=[NH+]CC ZINC000262601388 533142876 /nfs/dbraw/zinc/14/28/76/533142876.db2.gz CWHZXTRJVAZFQM-LLVKDONJSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCNC(NC[C@@H]1CCCCO1)=[NH+]C ZINC000262650549 533140768 /nfs/dbraw/zinc/14/07/68/533140768.db2.gz UTTOZNUXFOWFIQ-JTQLQIEISA-N 1 0 209.293 0.354 20 30 BCEDRO C#CCNC(NCc1nccn1C(F)F)=[NH+]C ZINC000262630725 533141069 /nfs/dbraw/zinc/14/10/69/533141069.db2.gz KZRGBVXLZQMVRV-UHFFFAOYSA-N 1 0 241.245 0.576 20 30 BCEDRO C#CCNC(=[NH+]C)N1CC[C@@]2(CCOC2)C1 ZINC000261957636 533141308 /nfs/dbraw/zinc/14/13/08/533141308.db2.gz JFPQNAGQIBFKLU-GFCCVEGCSA-N 1 0 221.304 0.307 20 30 BCEDRO C#CCNC(NC[C@H]1CCCCO1)=[NH+]C ZINC000262650550 533141368 /nfs/dbraw/zinc/14/13/68/533141368.db2.gz UTTOZNUXFOWFIQ-SNVBAGLBSA-N 1 0 209.293 0.354 20 30 BCEDRO C[NH+](C)C1(CNc2nccc(C#N)n2)CC1 ZINC000397830012 385716578 /nfs/dbraw/zinc/71/65/78/385716578.db2.gz MNRZJCZGORVKEV-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO CS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000336693548 385737516 /nfs/dbraw/zinc/73/75/16/385737516.db2.gz LGIWCDQZKZQHQB-NXEZZACHSA-N 1 0 245.348 0.208 20 30 BCEDRO C#CCNC(NCc1c[nH]nc1C)=[NH+]CC ZINC000262604536 533143091 /nfs/dbraw/zinc/14/30/91/533143091.db2.gz FWCOANKTYRKAFD-UHFFFAOYSA-N 1 0 219.292 0.406 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)CC(C)(C)CO)C1=O ZINC000451252272 385752494 /nfs/dbraw/zinc/75/24/94/385752494.db2.gz JYBHPLFLDHFSAS-LLVKDONJSA-N 1 0 240.347 0.724 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)CS(=O)(=O)CC ZINC000186698191 385782739 /nfs/dbraw/zinc/78/27/39/385782739.db2.gz ZDDFMDIDRMQNSB-NXEZZACHSA-N 1 0 235.349 0.336 20 30 BCEDRO C[C@@H](O)C[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000602772781 385820318 /nfs/dbraw/zinc/82/03/18/385820318.db2.gz KGGGQRNVVAKVAH-GFCCVEGCSA-N 1 0 237.347 0.679 20 30 BCEDRO Cc1cc(CON=C(N)[C@H]2CCCO2)no1 ZINC000284066743 385849010 /nfs/dbraw/zinc/84/90/10/385849010.db2.gz JWIZRXGSMTWBCB-SECBINFHSA-N 1 0 225.248 0.951 20 30 BCEDRO COCC[NH2+]CCNCc1cccc(C#N)c1 ZINC000563211847 385897337 /nfs/dbraw/zinc/89/73/37/385897337.db2.gz PQLRCXIBCULHES-UHFFFAOYSA-N 1 0 233.315 0.884 20 30 BCEDRO C#CCN1CCC[N@@H+](CC(=O)N2CCCC2)CC1 ZINC000076609970 533151589 /nfs/dbraw/zinc/15/15/89/533151589.db2.gz BZWKUKOXQRXXSS-UHFFFAOYSA-N 1 0 249.358 0.250 20 30 BCEDRO COC[C@](C)([NH3+])CNc1nccnc1C#N ZINC000265059086 385915736 /nfs/dbraw/zinc/91/57/36/385915736.db2.gz SAPNCYIOVFKURE-SNVBAGLBSA-N 1 0 221.264 0.124 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000451609889 385986120 /nfs/dbraw/zinc/98/61/20/385986120.db2.gz WTQYBTUOQFTRFH-WOPDTQHZSA-N 1 0 238.331 0.929 20 30 BCEDRO C#CC[NH+]1CCC2(CC1)[C@H](O)C[C@@H]2OCC ZINC000304395100 533152153 /nfs/dbraw/zinc/15/21/53/533152153.db2.gz VINVJXVWUIQVPM-NEPJUHHUSA-N 1 0 223.316 0.872 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COC(C)C ZINC000451602204 385967787 /nfs/dbraw/zinc/96/77/87/385967787.db2.gz WTPOEJRZEJMVEM-UTUOFQBUSA-N 1 0 229.320 0.705 20 30 BCEDRO C[NH+]1CCC(NC(=O)c2ccc(C#N)o2)CC1 ZINC000335071176 386021577 /nfs/dbraw/zinc/02/15/77/386021577.db2.gz COHJXQXEUUYULY-UHFFFAOYSA-N 1 0 233.271 0.975 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CNCCN1C ZINC000414978567 386033473 /nfs/dbraw/zinc/03/34/73/386033473.db2.gz RYJZWIBROMKPMC-NEPJUHHUSA-N 1 0 211.353 0.834 20 30 BCEDRO CC(C)[C@@H]1CC[N@@H+]1C[C@@H](O)CN(C)CCC#N ZINC000414157697 386043845 /nfs/dbraw/zinc/04/38/45/386043845.db2.gz YOWAOFQUMDWSIT-STQMWFEESA-N 1 0 239.363 0.923 20 30 BCEDRO C=CC[C@@H](C)NC(=O)CNC(=O)[C@@H]([NH3+])C(C)C ZINC000162751635 386107015 /nfs/dbraw/zinc/10/70/15/386107015.db2.gz QCCAXMYZHFYESB-KOLCDFICSA-N 1 0 241.335 0.167 20 30 BCEDRO C#CCN1CCO[C@@H]2C[C@H]([NH+](C)C)CC[C@@H]21 ZINC000374423530 533158267 /nfs/dbraw/zinc/15/82/67/533158267.db2.gz WJIBRNCPLHPQJH-FRRDWIJNSA-N 1 0 222.332 0.803 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000456762558 386090874 /nfs/dbraw/zinc/09/08/74/386090874.db2.gz GAGHUIULDWTDEC-QJPTWQEYSA-N 1 0 240.347 0.627 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)C(C)(C)C2)C1=O ZINC000334460943 386123420 /nfs/dbraw/zinc/12/34/20/386123420.db2.gz ODARBLUVMUVJHF-WDEREUQCSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H](C)C[NH2+]C ZINC000237280728 259682361 /nfs/dbraw/zinc/68/23/61/259682361.db2.gz VKWZQRONTRHKIM-LLVKDONJSA-N 1 0 228.336 0.941 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@H](C)C[NH2+]C ZINC000237311646 259682956 /nfs/dbraw/zinc/68/29/56/259682956.db2.gz YIFRGRQMPRHWNQ-MNOVXSKESA-N 1 0 228.336 0.939 20 30 BCEDRO COCC[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000345808539 386131210 /nfs/dbraw/zinc/13/12/10/386131210.db2.gz IOJZXJUQZGJVQB-SNVBAGLBSA-N 1 0 239.319 0.516 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000345871270 386138232 /nfs/dbraw/zinc/13/82/32/386138232.db2.gz BFCXAKLNVSDPGI-QJPTWQEYSA-N 1 0 248.330 0.934 20 30 BCEDRO N#CCCCC[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000408401904 386203419 /nfs/dbraw/zinc/20/34/19/386203419.db2.gz IUONRRIXMAKCJO-GFCCVEGCSA-N 1 0 221.304 0.892 20 30 BCEDRO C#CCNC(=O)CC[N@H+](C)CCC1CC1 ZINC000293685051 533161861 /nfs/dbraw/zinc/16/18/61/533161861.db2.gz BIMNMVOGXHFVOX-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO CCNC(=[NH2+])NCc1nnc(SC)s1 ZINC000275501701 386217292 /nfs/dbraw/zinc/21/72/92/386217292.db2.gz BXRHFOPPGXRDGB-UHFFFAOYSA-N 1 0 231.350 0.684 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000347076510 386218304 /nfs/dbraw/zinc/21/83/04/386218304.db2.gz SVNDKIQDAOWVHD-WPRPVWTQSA-N 1 0 209.293 0.602 20 30 BCEDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC000347031197 386223280 /nfs/dbraw/zinc/22/32/80/386223280.db2.gz DYDARVURFJWKGE-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC=C(COC)CC1 ZINC000294570022 533162712 /nfs/dbraw/zinc/16/27/12/533162712.db2.gz MARPGERCOXEKFW-UHFFFAOYSA-N 1 0 236.315 0.404 20 30 BCEDRO C[C@H](CO)[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000347098051 386247961 /nfs/dbraw/zinc/24/79/61/386247961.db2.gz KXEUHJLNTOGECH-WDEREUQCSA-N 1 0 239.319 0.061 20 30 BCEDRO C[C@H](O)C[N@H+](CCC(C)(C)C#N)[C@@H](C)CO ZINC000347210594 386284044 /nfs/dbraw/zinc/28/40/44/386284044.db2.gz UFZUEQPFVBBQEL-QWRGUYRKSA-N 1 0 228.336 0.990 20 30 BCEDRO C[N@H+](CCCCO)CC(=O)NC1(C#N)CCC1 ZINC000347229398 386290847 /nfs/dbraw/zinc/29/08/47/386290847.db2.gz NNUJOEANOLNQDS-UHFFFAOYSA-N 1 0 239.319 0.253 20 30 BCEDRO N#CC1(C[NH+]2[C@H](CO)CC[C@H]2CO)CC1 ZINC000347297558 386301183 /nfs/dbraw/zinc/30/11/83/386301183.db2.gz WDMVBQCASODZLO-UWVGGRQHSA-N 1 0 210.277 0.108 20 30 BCEDRO CCC(=O)N1CCN(CCOCCC#N)C1 ZINC000425517817 386308465 /nfs/dbraw/zinc/30/84/65/386308465.db2.gz XDJYCMMKOCXRLI-UHFFFAOYSA-N 1 0 225.292 0.428 20 30 BCEDRO C=CCCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416300234 386264785 /nfs/dbraw/zinc/26/47/85/386264785.db2.gz SYWAOYGOUZIMGC-RYUDHWBXSA-N 1 0 240.347 0.866 20 30 BCEDRO C[C@H]1CN(CCC(C)(C)C#N)CC[N@@H+]1CCO ZINC000347241909 386276785 /nfs/dbraw/zinc/27/67/85/386276785.db2.gz XRPCKYHFUDVGHC-LBPRGKRZSA-N 1 0 239.363 0.925 20 30 BCEDRO C=C(C)C[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000181330292 386350423 /nfs/dbraw/zinc/35/04/23/386350423.db2.gz WFEMGEVFCBDLHH-UHFFFAOYSA-N 1 0 239.319 0.825 20 30 BCEDRO C=CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335268888 386351106 /nfs/dbraw/zinc/35/11/06/386351106.db2.gz JHXRETZVDMJLGT-ZETCQYMHSA-N 1 0 219.235 0.469 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000371511431 533167669 /nfs/dbraw/zinc/16/76/69/533167669.db2.gz XDVHKLLPCNUQIF-WDEREUQCSA-N 1 0 221.304 0.355 20 30 BCEDRO C#CCN(C)C(=O)[C@H]1CCCC[N@H+]1CC ZINC000191028088 386369923 /nfs/dbraw/zinc/36/99/23/386369923.db2.gz XIYRLKAUJWDEGP-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO N#CCCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000408365277 386385395 /nfs/dbraw/zinc/38/53/95/386385395.db2.gz HSDLLFBEXSVIHM-UHFFFAOYSA-N 1 0 236.319 0.826 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000519425049 386444704 /nfs/dbraw/zinc/44/47/04/386444704.db2.gz HBMWHRRCGPMCPN-GHMZBOCLSA-N 1 0 235.335 0.824 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000172958226 386411310 /nfs/dbraw/zinc/41/13/10/386411310.db2.gz SMVMWQSFJRRRTC-GARJFASQSA-N 1 0 220.316 0.712 20 30 BCEDRO CC[NH2+]CCNC(=O)NCC#Cc1ccccc1 ZINC000416944511 386426640 /nfs/dbraw/zinc/42/66/40/386426640.db2.gz LWQIBRIDBIMYLT-UHFFFAOYSA-N 1 0 245.326 0.947 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248428342 386483309 /nfs/dbraw/zinc/48/33/09/386483309.db2.gz ASLHXZMVZCRYNN-MNOVXSKESA-N 1 0 236.319 0.636 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1ncnn1CC ZINC000320782924 386490738 /nfs/dbraw/zinc/49/07/38/386490738.db2.gz RSMHNNXHWJQJRI-SNVBAGLBSA-N 1 0 224.308 0.715 20 30 BCEDRO C=CCSCCNC(=O)NCC[C@H](C)[NH3+] ZINC000417324464 386498626 /nfs/dbraw/zinc/49/86/26/386498626.db2.gz CDCLUYCVFINUQX-VIFPVBQESA-N 1 0 231.365 0.942 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cnc(C)n1C ZINC000519651230 386518859 /nfs/dbraw/zinc/51/88/59/386518859.db2.gz PTUKAYBFVDIKHX-UHFFFAOYSA-N 1 0 222.292 0.120 20 30 BCEDRO C=CCCOCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417921950 386460085 /nfs/dbraw/zinc/46/00/85/386460085.db2.gz BSRKHOHARCGRTR-NSHDSACASA-N 1 0 241.335 0.616 20 30 BCEDRO CCOC[C@H](O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336757227 386580013 /nfs/dbraw/zinc/58/00/13/386580013.db2.gz JBSCGWDRSZWCIS-GMTAPVOTSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124203178 386582157 /nfs/dbraw/zinc/58/21/57/386582157.db2.gz NZNGXODAESDCNM-CMPLNLGQSA-N 1 0 226.320 0.524 20 30 BCEDRO CC#CC[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000339756069 386591692 /nfs/dbraw/zinc/59/16/92/386591692.db2.gz KBWHMWVNXUFICA-LLVKDONJSA-N 1 0 244.360 0.223 20 30 BCEDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000123668435 386560689 /nfs/dbraw/zinc/56/06/89/386560689.db2.gz QKIIXKDDUXAQRB-GHMZBOCLSA-N 1 0 239.319 0.252 20 30 BCEDRO CC[N@H+](CC(=O)N[C@@H](C)CC#N)C1CC1 ZINC000179163788 386613447 /nfs/dbraw/zinc/61/34/47/386613447.db2.gz ANFWMGBAJSAHLM-VIFPVBQESA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000124570868 386659232 /nfs/dbraw/zinc/65/92/32/386659232.db2.gz BWNIBOXNSCAFQF-QWRGUYRKSA-N 1 0 246.376 0.999 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000320648407 386671937 /nfs/dbraw/zinc/67/19/37/386671937.db2.gz OKVOYOYRLBRZGV-OLZOCXBDSA-N 1 0 242.363 0.624 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C=Cc1c[nH]cn1 ZINC000294013400 386674190 /nfs/dbraw/zinc/67/41/90/386674190.db2.gz PXGRGZJYEQYOKG-AATRIKPKSA-N 1 0 246.314 0.494 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cc1ccco1 ZINC000294020418 386674226 /nfs/dbraw/zinc/67/42/26/386674226.db2.gz QNNJBJMGKCNSQV-UHFFFAOYSA-N 1 0 234.299 0.893 20 30 BCEDRO C#CC[NH+](CC#C)CCCc1nc(C)no1 ZINC000268687479 386681656 /nfs/dbraw/zinc/68/16/56/386681656.db2.gz QIHOYAOHXBCDRS-UHFFFAOYSA-N 1 0 217.272 0.879 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)C[NH+](C)C ZINC000295466696 533182372 /nfs/dbraw/zinc/18/23/72/533182372.db2.gz YQKBKNMVTOXOFT-WDEREUQCSA-N 1 0 226.320 0.339 20 30 BCEDRO C=CCCCCCN(C)C(=O)CNC(=O)C[NH3+] ZINC000124922761 386690983 /nfs/dbraw/zinc/69/09/83/386690983.db2.gz SLEYLAJVVWUFSN-UHFFFAOYSA-N 1 0 241.335 0.266 20 30 BCEDRO COC[C@H]([NH3+])C(=O)N1CCC(CCC#N)CC1 ZINC000520585422 386698199 /nfs/dbraw/zinc/69/81/99/386698199.db2.gz PHKHUPFMRHMZFE-NSHDSACASA-N 1 0 239.319 0.502 20 30 BCEDRO CCC(=O)N1CC[C@H](NC(NC2CC2)=[NH+]C)C1 ZINC000161235928 386738069 /nfs/dbraw/zinc/73/80/69/386738069.db2.gz QNADZIGIRWRYQW-JTQLQIEISA-N 1 0 238.335 0.325 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000330495810 386750895 /nfs/dbraw/zinc/75/08/95/386750895.db2.gz XFJIQFYVLOAEPO-JTQLQIEISA-N 1 0 242.319 0.676 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000645150441 386756173 /nfs/dbraw/zinc/75/61/73/386756173.db2.gz DTTNRMSWODTRKR-JTQLQIEISA-N 1 0 212.293 0.386 20 30 BCEDRO C[C@H](CC#N)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336761182 386756738 /nfs/dbraw/zinc/75/67/38/386756738.db2.gz NAPYPPFEZRYXPP-RKDXNWHRSA-N 1 0 209.293 0.935 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000643396985 386741360 /nfs/dbraw/zinc/74/13/60/386741360.db2.gz PSHNEAWPPJWYLY-LBPRGKRZSA-N 1 0 219.288 0.780 20 30 BCEDRO C[N@H+](CC(=O)NCCC#N)[C@@H]1CCSC1 ZINC000330526624 386774471 /nfs/dbraw/zinc/77/44/71/386774471.db2.gz QSHOIKVYRNGMDP-SECBINFHSA-N 1 0 227.333 0.454 20 30 BCEDRO CCCN(CC#N)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336672385 386823475 /nfs/dbraw/zinc/82/34/75/386823475.db2.gz SKKRGVJADLNPBC-GFCCVEGCSA-N 1 0 225.336 0.677 20 30 BCEDRO C#CC(=O)N[C@@H]1[C@H]2C[N@H+](Cc3ccccc3)C[C@H]21 ZINC000575451705 386803215 /nfs/dbraw/zinc/80/32/15/386803215.db2.gz JNUOWLRTDVUWCJ-NHAGDIPZSA-N 1 0 240.306 0.866 20 30 BCEDRO C[C@@]1(CCCO)CCC[N@@H+]1CC(=O)NCC#N ZINC000330593058 386804335 /nfs/dbraw/zinc/80/43/35/386804335.db2.gz AFZWICURHFJFNS-LBPRGKRZSA-N 1 0 239.319 0.253 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNC(=O)c1cc[nH]c1 ZINC000330696907 386835439 /nfs/dbraw/zinc/83/54/39/386835439.db2.gz KKFBHKFXAXEALM-LLVKDONJSA-N 1 0 236.319 0.565 20 30 BCEDRO C=C(C)COCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417879261 386840534 /nfs/dbraw/zinc/84/05/34/386840534.db2.gz BHOJOUSEJUWITN-UHFFFAOYSA-N 1 0 241.335 0.710 20 30 BCEDRO C=CCn1cc(C[NH2+]CC[C@H]2CCOC2)nn1 ZINC000425346599 386859325 /nfs/dbraw/zinc/85/93/25/386859325.db2.gz BSENZUUHXACEKY-NSHDSACASA-N 1 0 236.319 0.980 20 30 BCEDRO C#CCSCCNC(N[C@H]1C[C@H]1C)=[NH+]C ZINC000129086845 533200506 /nfs/dbraw/zinc/20/05/06/533200506.db2.gz QVDZZCOKFNPNPZ-ZJUUUORDSA-N 1 0 225.361 0.926 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)C[C@@H](C)O ZINC000051822118 386869768 /nfs/dbraw/zinc/86/97/68/386869768.db2.gz QKGZGHOZZMGGQS-LLVKDONJSA-N 1 0 228.336 0.724 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000335769829 386915362 /nfs/dbraw/zinc/91/53/62/386915362.db2.gz SGBFRNYIMWWJPQ-WDEREUQCSA-N 1 0 244.360 0.576 20 30 BCEDRO C=CCNC(=O)CN(C)C1(C[NH3+])CCC1 ZINC000395506259 386903848 /nfs/dbraw/zinc/90/38/48/386903848.db2.gz NIEZGOUQCAPXTP-UHFFFAOYSA-N 1 0 211.309 0.102 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC000321402053 386903835 /nfs/dbraw/zinc/90/38/35/386903835.db2.gz IERFJRPCPSPVRE-LLVKDONJSA-N 1 0 209.293 0.837 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417889607 386959646 /nfs/dbraw/zinc/95/96/46/386959646.db2.gz NKLYRCGBOAJPGC-NSHDSACASA-N 1 0 241.335 0.616 20 30 BCEDRO [NH3+][C@@H]1CCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000334892511 386965716 /nfs/dbraw/zinc/96/57/16/386965716.db2.gz MFKALIPORLLNPJ-CYBMUJFWSA-N 1 0 243.310 0.781 20 30 BCEDRO C=CC1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000334923091 386998801 /nfs/dbraw/zinc/99/88/01/386998801.db2.gz AWGIIPHYISTUGO-LLVKDONJSA-N 1 0 223.320 0.956 20 30 BCEDRO CO[C@@H]1C[N@H+](Cc2ccc(CC#N)cc2)C[C@H]1O ZINC000399002466 387037978 /nfs/dbraw/zinc/03/79/78/387037978.db2.gz TXZSKBGJJHLNEA-ZIAGYGMSSA-N 1 0 246.310 0.944 20 30 BCEDRO C=CCCCCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418032030 387045273 /nfs/dbraw/zinc/04/52/73/387045273.db2.gz LIZZOAUMNMTZME-LLVKDONJSA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@](C)(O)C2)C1=O ZINC000334966270 387048370 /nfs/dbraw/zinc/04/83/70/387048370.db2.gz YXPHHDKBDBZAGA-AAEUAGOBSA-N 1 0 238.331 0.620 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000418038299 387063750 /nfs/dbraw/zinc/06/37/50/387063750.db2.gz YJIHVHZOGOZBPY-SECBINFHSA-N 1 0 245.273 0.696 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417898999 387018130 /nfs/dbraw/zinc/01/81/30/387018130.db2.gz ZSVLQPNWHOMLHY-LLVKDONJSA-N 1 0 241.335 0.630 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418023476 387021676 /nfs/dbraw/zinc/02/16/76/387021676.db2.gz BZBIORLJIXTJEK-WDEREUQCSA-N 1 0 223.320 0.697 20 30 BCEDRO C=CCOCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000304250881 387029120 /nfs/dbraw/zinc/02/91/20/387029120.db2.gz QXJLEBFTDVOFNE-GFCCVEGCSA-N 1 0 228.336 0.235 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)CCCC#N)CC1 ZINC000334984961 387071982 /nfs/dbraw/zinc/07/19/82/387071982.db2.gz DVJDCVUENPKPLZ-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO C=CCCCCNC(=O)N1CC[NH2+]CC1 ZINC000418041393 387073406 /nfs/dbraw/zinc/07/34/06/387073406.db2.gz XFPHOPMWGOACNV-UHFFFAOYSA-N 1 0 211.309 0.958 20 30 BCEDRO N#CCCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000049819503 387086724 /nfs/dbraw/zinc/08/67/24/387086724.db2.gz BLOLESFQIFOEBH-GFCCVEGCSA-N 1 0 223.320 0.697 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000645504252 387104040 /nfs/dbraw/zinc/10/40/40/387104040.db2.gz HRWKEWLZPVUPEQ-WDEREUQCSA-N 1 0 241.335 0.010 20 30 BCEDRO CC[N@H+](C)CCNS(=O)(=O)CCCCC#N ZINC000068903606 387108557 /nfs/dbraw/zinc/10/85/57/387108557.db2.gz AMWKRFOYDCMLKQ-UHFFFAOYSA-N 1 0 247.364 0.551 20 30 BCEDRO C[C@@H]1CN(C(=O)NCCCC#N)[C@H](C)C[NH2+]1 ZINC000334951000 387113857 /nfs/dbraw/zinc/11/38/57/387113857.db2.gz PGKNABPCMCTQFQ-NXEZZACHSA-N 1 0 224.308 0.682 20 30 BCEDRO C=CCCC[C@H](C)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000359515289 387114970 /nfs/dbraw/zinc/11/49/70/387114970.db2.gz NFIFANXYIVPYQA-WDEREUQCSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000418101845 387119049 /nfs/dbraw/zinc/11/90/49/387119049.db2.gz SOJBPEYABKLKJK-MNOVXSKESA-N 1 0 223.320 0.956 20 30 BCEDRO C=CCCCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000418102220 387120015 /nfs/dbraw/zinc/12/00/15/387120015.db2.gz UAAYFPACCSMKPV-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000418104315 387132501 /nfs/dbraw/zinc/13/25/01/387132501.db2.gz XQWNETOCCTVEST-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCNC(=O)CN1CC[N@@H+](C)C[C@@H]1CC ZINC000580396425 387161954 /nfs/dbraw/zinc/16/19/54/387161954.db2.gz BEZWMIPNMXIGPK-NSHDSACASA-N 1 0 225.336 0.315 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418151875 387180681 /nfs/dbraw/zinc/18/06/81/387180681.db2.gz TYPQFVREYNWNMF-GHMZBOCLSA-N 1 0 241.335 0.629 20 30 BCEDRO C[N@H+](CC(=O)NC1(C#N)CC1)[C@@H]1CCSC1 ZINC000120435420 387185317 /nfs/dbraw/zinc/18/53/17/387185317.db2.gz DHTVJORGJQWACK-SECBINFHSA-N 1 0 239.344 0.596 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000572039295 387225979 /nfs/dbraw/zinc/22/59/79/387225979.db2.gz PIOOQRGJCJPBTQ-NEPJUHHUSA-N 1 0 239.319 0.018 20 30 BCEDRO CC(C)OC[C@H](O)C[NH2+]C[C@@H](C)C#N ZINC000572114537 387237687 /nfs/dbraw/zinc/23/76/87/387237687.db2.gz ZVSMDGZYWVYZRJ-VHSXEESVSA-N 1 0 200.282 0.522 20 30 BCEDRO CC(C)OC[C@@H](O)C[NH2+]C[C@H](C)C#N ZINC000572114538 387237790 /nfs/dbraw/zinc/23/77/90/387237790.db2.gz ZVSMDGZYWVYZRJ-ZJUUUORDSA-N 1 0 200.282 0.522 20 30 BCEDRO C=CCCC[NH+]1CCN(C[C@@H](C)O)CC1 ZINC000189387268 387280770 /nfs/dbraw/zinc/28/07/70/387280770.db2.gz OZLCJVZBLUHKHU-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCCO1 ZINC000392752596 387281046 /nfs/dbraw/zinc/28/10/46/387281046.db2.gz FGJCYZWOSBORBG-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CC(C)(C#N)C1 ZINC000336463340 387292941 /nfs/dbraw/zinc/29/29/41/387292941.db2.gz XQHLDGPCBYBICY-UHFFFAOYSA-N 1 0 209.293 0.699 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000353985040 387307293 /nfs/dbraw/zinc/30/72/93/387307293.db2.gz XWZGVZGBHHDGPI-GXFFZTMASA-N 1 0 240.347 0.912 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000610489956 387361003 /nfs/dbraw/zinc/36/10/03/387361003.db2.gz XFULFOJCOUWIOO-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO C[C@@H]1CN(C(=O)NCC2(C#N)CC2)[C@@H](C)C[NH2+]1 ZINC000515460766 387384233 /nfs/dbraw/zinc/38/42/33/387384233.db2.gz GCFJFTVKMGGRPB-ZJUUUORDSA-N 1 0 236.319 0.682 20 30 BCEDRO N#Cc1ccccc1C[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347320908 387333728 /nfs/dbraw/zinc/33/37/28/387333728.db2.gz UHZDHTYZMXSBFB-OKILXGFUSA-N 1 0 246.310 0.876 20 30 BCEDRO CSC[C@@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000515831943 387434284 /nfs/dbraw/zinc/43/42/84/387434284.db2.gz CSTQYUUGHXDGIU-AEJSXWLSSA-N 1 0 214.334 0.992 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000273208341 387455127 /nfs/dbraw/zinc/45/51/27/387455127.db2.gz ACGHTLWMYVHCHY-GHMZBOCLSA-N 1 0 243.351 0.563 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417964472 387393147 /nfs/dbraw/zinc/39/31/47/387393147.db2.gz QHRDWTPAZOJOLH-LLVKDONJSA-N 1 0 241.335 0.616 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCOC1 ZINC000267445405 387410268 /nfs/dbraw/zinc/41/02/68/387410268.db2.gz PYYHKMWKDXMXKF-WDEREUQCSA-N 1 0 224.304 0.093 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N[C@@H](C#N)C2CC2)C1 ZINC000515667560 387415867 /nfs/dbraw/zinc/41/58/67/387415867.db2.gz NEEYQCMAWALSGT-KOLCDFICSA-N 1 0 221.304 0.747 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[NH2+]C[C@@H]2C)nn1 ZINC000648124083 387422623 /nfs/dbraw/zinc/42/26/23/387422623.db2.gz QCZMCKJDWHKJAF-VHSXEESVSA-N 1 0 249.318 0.192 20 30 BCEDRO C=C(C)CC[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000274802198 387494402 /nfs/dbraw/zinc/49/44/02/387494402.db2.gz RKSOYDDWULOEOO-SNVBAGLBSA-N 1 0 214.309 0.775 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000274826893 387494737 /nfs/dbraw/zinc/49/47/37/387494737.db2.gz QZMOOJFOEXFAMO-WDEREUQCSA-N 1 0 239.319 0.028 20 30 BCEDRO C#C[C@@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000274844859 387495853 /nfs/dbraw/zinc/49/58/53/387495853.db2.gz XGXQMUPHPKNJQS-SKDRFNHKSA-N 1 0 234.274 0.833 20 30 BCEDRO CC#CCN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000375484059 387544769 /nfs/dbraw/zinc/54/47/69/387544769.db2.gz NJHZIJFPNFXFET-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO CC(C)(C#N)c1ccccc1C[NH2+]C(CO)CO ZINC000516488758 387510620 /nfs/dbraw/zinc/51/06/20/387510620.db2.gz KJWDYNZREBMDAA-UHFFFAOYSA-N 1 0 248.326 0.931 20 30 BCEDRO C=CC1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000648080714 387514994 /nfs/dbraw/zinc/51/49/94/387514994.db2.gz XAYDPHIXHUIIIN-GDNZZTSVSA-N 1 0 220.316 0.876 20 30 BCEDRO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@H](C)CO1 ZINC000424099279 387519711 /nfs/dbraw/zinc/51/97/11/387519711.db2.gz VBMQSPRHZKHMRD-MXWKQRLJSA-N 1 0 239.319 0.643 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)CC(C)(C)O ZINC000086274784 387521377 /nfs/dbraw/zinc/52/13/77/387521377.db2.gz BNXPKHVRKPSXTI-SNVBAGLBSA-N 1 0 226.320 0.217 20 30 BCEDRO C=C[C@@H](C)NC(=O)COC1CCC([NH3+])CC1 ZINC000648084665 387530752 /nfs/dbraw/zinc/53/07/52/387530752.db2.gz FFDXFRJFKJUWRC-KPPDAEKUSA-N 1 0 226.320 0.964 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000648084697 387531634 /nfs/dbraw/zinc/53/16/34/387531634.db2.gz NSXJZNYNMJGVAR-NXEZZACHSA-N 1 0 249.318 0.334 20 30 BCEDRO C=C[C@H](C)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000648084729 387532067 /nfs/dbraw/zinc/53/20/67/387532067.db2.gz SEKXREDMNCQZBV-IUCAKERBSA-N 1 0 234.303 0.791 20 30 BCEDRO C=C[C@H](C)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000648084711 387533226 /nfs/dbraw/zinc/53/32/26/387533226.db2.gz QCRWDQOIXIEAOG-OFLUOSHYSA-N 1 0 236.315 0.492 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)Cn1cccn1 ZINC000274359372 387471808 /nfs/dbraw/zinc/47/18/08/387471808.db2.gz KNPZBLQPVHRJCW-LLVKDONJSA-N 1 0 234.303 0.001 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000424057709 387471667 /nfs/dbraw/zinc/47/16/67/387471667.db2.gz JURIMEHWFPYMEK-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH3+])C1 ZINC000424055921 387472540 /nfs/dbraw/zinc/47/25/40/387472540.db2.gz GOKGKBBUJJZWKW-AXFHLTTASA-N 1 0 224.304 0.527 20 30 BCEDRO COC(=O)C[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424056908 387472860 /nfs/dbraw/zinc/47/28/60/387472860.db2.gz AGUHLKYKMSOGAB-BDAKNGLRSA-N 1 0 241.291 0.075 20 30 BCEDRO C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC000424059959 387473676 /nfs/dbraw/zinc/47/36/76/387473676.db2.gz BZBBTVQRZSHSBG-UWVGGRQHSA-N 1 0 225.292 0.255 20 30 BCEDRO Cc1nnc(NC(=O)[C@H]([NH3+])CCCC#N)s1 ZINC000424073334 387478326 /nfs/dbraw/zinc/47/83/26/387478326.db2.gz FDGARATYZZKHNQ-SSDOTTSWSA-N 1 0 239.304 0.806 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH2+][C@H](C)C1 ZINC000424076486 387478613 /nfs/dbraw/zinc/47/86/13/387478613.db2.gz MBVZZBLVJWNLDU-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO CCN(CCC#N)C(=O)[C@H]1CN(C)CCO1 ZINC000085382339 387486360 /nfs/dbraw/zinc/48/63/60/387486360.db2.gz YVOKUAVIFQEAMS-SNVBAGLBSA-N 1 0 225.292 0.079 20 30 BCEDRO C=C(C)CN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000041599025 387602639 /nfs/dbraw/zinc/60/26/39/387602639.db2.gz ONTRDAULJOQEGS-UHFFFAOYSA-N 1 0 223.276 0.237 20 30 BCEDRO COCC[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424112758 387547192 /nfs/dbraw/zinc/54/71/92/387547192.db2.gz KSQKSRYCXZJCOT-ZJUUUORDSA-N 1 0 227.308 0.549 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NCC#N)c1ccc(C#N)cc1 ZINC000037749595 387565197 /nfs/dbraw/zinc/56/51/97/387565197.db2.gz IBPSDEVZEJAODF-JTQLQIEISA-N 1 0 242.282 0.849 20 30 BCEDRO C=CCn1cc(CN[C@@H](C)COC)nn1 ZINC000424119492 387568912 /nfs/dbraw/zinc/56/89/12/387568912.db2.gz CUBHEYOJDTYOTH-VIFPVBQESA-N 1 0 210.281 0.589 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418772278 387573105 /nfs/dbraw/zinc/57/31/05/387573105.db2.gz SRAAZSMBZIGZEN-LPEHRKFASA-N 1 0 211.309 0.988 20 30 BCEDRO CC1(CNC(=O)[C@H]([NH3+])CCCC#N)CC1 ZINC000424132592 387636924 /nfs/dbraw/zinc/63/69/24/387636924.db2.gz WJAYPNUNCJCVLD-SECBINFHSA-N 1 0 209.293 0.924 20 30 BCEDRO COC[C@@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000353099433 387643836 /nfs/dbraw/zinc/64/38/36/387643836.db2.gz WWKKLRNMVZVYHZ-CYBMUJFWSA-N 1 0 234.299 0.964 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000424135898 387656921 /nfs/dbraw/zinc/65/69/21/387656921.db2.gz ZZGITOAZMNXXRQ-AXFHLTTASA-N 1 0 237.303 0.397 20 30 BCEDRO C=CCOc1cccnc1C(=O)NCC[NH2+]C ZINC000422780094 387676849 /nfs/dbraw/zinc/67/68/49/387676849.db2.gz JUVSQTRBCQIOTD-UHFFFAOYSA-N 1 0 235.287 0.596 20 30 BCEDRO CC(C)[C@H](CCO)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424140281 387690567 /nfs/dbraw/zinc/69/05/67/387690567.db2.gz NYNZWQXOKKXYSZ-QWRGUYRKSA-N 1 0 241.335 0.531 20 30 BCEDRO C[C@@H]1CSCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424143374 387748368 /nfs/dbraw/zinc/74/83/68/387748368.db2.gz QYPZYGJQBAXCKG-NXEZZACHSA-N 1 0 241.360 0.971 20 30 BCEDRO C=C(CC)C[N@@H+]1CCN(CCO)C[C@@H]1C ZINC000452121799 387748810 /nfs/dbraw/zinc/74/88/10/387748810.db2.gz GVZSKYFORUNHBW-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000440809021 387705290 /nfs/dbraw/zinc/70/52/90/387705290.db2.gz ZLOZRIYOYHXOIP-NSHDSACASA-N 1 0 246.376 0.953 20 30 BCEDRO C=C(CC)C[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000452093553 387735190 /nfs/dbraw/zinc/73/51/90/387735190.db2.gz XXKXVJBPABTIFL-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO C[C@@H]1CN(C)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424145703 387769841 /nfs/dbraw/zinc/76/98/41/387769841.db2.gz OGYBPJVCIAKEGC-MNOVXSKESA-N 1 0 238.335 0.170 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)COC(C)(C)C ZINC000328043389 387777747 /nfs/dbraw/zinc/77/77/47/387777747.db2.gz XVNVQNBZCHMBBA-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO Cc1cnccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424151680 387793670 /nfs/dbraw/zinc/79/36/70/387793670.db2.gz HMNJRMZAAZNGFE-JTQLQIEISA-N 1 0 232.287 0.772 20 30 BCEDRO CC(C)(CC#N)CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418301094 387809443 /nfs/dbraw/zinc/80/94/43/387809443.db2.gz YHYPDBGTBWRZHZ-JTQLQIEISA-N 1 0 238.335 0.963 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)C#N ZINC000328105447 387873081 /nfs/dbraw/zinc/87/30/81/387873081.db2.gz MKQSRUBZIOLOJM-JTQLQIEISA-N 1 0 207.277 0.217 20 30 BCEDRO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442723034 387830981 /nfs/dbraw/zinc/83/09/81/387830981.db2.gz WOBCZPVINRZXPZ-FRRDWIJNSA-N 1 0 237.347 0.989 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000423012890 387836833 /nfs/dbraw/zinc/83/68/33/387836833.db2.gz DZBPRXPPHFRIML-FRRDWIJNSA-N 1 0 242.363 0.528 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000442848970 387850143 /nfs/dbraw/zinc/85/01/43/387850143.db2.gz ZTJDMWCOZFPWKK-WDEREUQCSA-N 1 0 237.303 0.127 20 30 BCEDRO N#Cc1cccc(OCC[NH2+]C2(C(N)=O)CC2)c1 ZINC000152445699 387855114 /nfs/dbraw/zinc/85/51/14/387855114.db2.gz BIRVXDOSLCCZHI-UHFFFAOYSA-N 1 0 245.282 0.545 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000424170591 387861889 /nfs/dbraw/zinc/86/18/89/387861889.db2.gz KHJVAIJMYQXWDB-GCHJQGSQSA-N 1 0 236.315 0.302 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)N(C)CC[NH+](C)C ZINC000450025059 387862353 /nfs/dbraw/zinc/86/23/53/387862353.db2.gz RQNFKZXXNRLXDT-KOLCDFICSA-N 1 0 209.293 0.556 20 30 BCEDRO CO[C@@H]1CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424171993 387864674 /nfs/dbraw/zinc/86/46/74/387864674.db2.gz MRARYFRHMSJPSW-AXFHLTTASA-N 1 0 239.319 0.691 20 30 BCEDRO CO[C@@H]1CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424171994 387864810 /nfs/dbraw/zinc/86/48/10/387864810.db2.gz MRARYFRHMSJPSW-GMTAPVOTSA-N 1 0 239.319 0.691 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](C)[C@H](C)OC ZINC000328076344 387865114 /nfs/dbraw/zinc/86/51/14/387865114.db2.gz FUACYFPUQZUUBF-RYUDHWBXSA-N 1 0 212.337 0.955 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000424179338 387890517 /nfs/dbraw/zinc/89/05/17/387890517.db2.gz STRNIFFVGZPVAH-DBIOUOCHSA-N 1 0 226.320 0.820 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000424179340 387890593 /nfs/dbraw/zinc/89/05/93/387890593.db2.gz STRNIFFVGZPVAH-MMWGEVLESA-N 1 0 226.320 0.820 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1O ZINC000424180200 387891362 /nfs/dbraw/zinc/89/13/62/387891362.db2.gz NFKGMDHUDNMZGT-DCAQKATOSA-N 1 0 239.319 0.427 20 30 BCEDRO CC(C)OCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424180650 387893540 /nfs/dbraw/zinc/89/35/40/387893540.db2.gz OVGSTKHYRPPUTF-SNVBAGLBSA-N 1 0 227.308 0.549 20 30 BCEDRO C=CCn1cc(CNC(=O)C(C)(C)C[NH3+])nn1 ZINC000424212337 387930496 /nfs/dbraw/zinc/93/04/96/387930496.db2.gz OKIFAZRJOVAVBF-UHFFFAOYSA-N 1 0 237.307 0.065 20 30 BCEDRO C=CCn1cc(CNC(=O)CCC[NH2+]C)nn1 ZINC000424212962 387931182 /nfs/dbraw/zinc/93/11/82/387931182.db2.gz RLHLJSLWOCBNHD-UHFFFAOYSA-N 1 0 237.307 0.080 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C[C@@H]2CCC[NH2+]2)C1 ZINC000424217857 387934924 /nfs/dbraw/zinc/93/49/24/387934924.db2.gz OPOGKTXMISQDKZ-GARJFASQSA-N 1 0 221.304 0.937 20 30 BCEDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424218567 387935048 /nfs/dbraw/zinc/93/50/48/387935048.db2.gz VBNPEJULCYJNAS-DOLQZWNJSA-N 1 0 209.293 0.778 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@]23CC[NH2+]C3)C1 ZINC000424217031 387935466 /nfs/dbraw/zinc/93/54/66/387935466.db2.gz KDHSGDJTLXWLKP-WGBDABJCSA-N 1 0 233.315 0.794 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CC[C@H]([NH3+])C2)C1 ZINC000424219070 387936238 /nfs/dbraw/zinc/93/62/38/387936238.db2.gz ZDIBCBYUYSLXBJ-XWLWVQCSSA-N 1 0 221.304 0.922 20 30 BCEDRO C=CCCCC(=O)NCCN1CC[NH2+]CC1 ZINC000178450955 387924127 /nfs/dbraw/zinc/92/41/27/387924127.db2.gz QKMHGFUIIOGHCB-UHFFFAOYSA-N 1 0 225.336 0.364 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424202873 387928305 /nfs/dbraw/zinc/92/83/05/387928305.db2.gz JVTURLZLMJKXPX-LMLFDSFASA-N 1 0 221.304 0.922 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](CC)[NH+](C)C ZINC000452923351 387939643 /nfs/dbraw/zinc/93/96/43/387939643.db2.gz MMJXOFPAGITDBG-MXWKQRLJSA-N 1 0 226.320 0.786 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](CC)[NH+](C)C ZINC000452923354 387940231 /nfs/dbraw/zinc/94/02/31/387940231.db2.gz MMJXOFPAGITDBG-VWYCJHECSA-N 1 0 226.320 0.786 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424277403 387951308 /nfs/dbraw/zinc/95/13/08/387951308.db2.gz AIEYGRWCGJUZFB-GMTAPVOTSA-N 1 0 225.336 0.537 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)NCC[NH+]1CCCC1 ZINC000448608412 387951367 /nfs/dbraw/zinc/95/13/67/387951367.db2.gz WBZIBFYMSADXJX-PWSUYJOCSA-N 1 0 221.304 0.748 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CCN1CCOC[C@H]1C#N ZINC000245594208 387964312 /nfs/dbraw/zinc/96/43/12/387964312.db2.gz HBADQBUMRDHXDB-VXGBXAGGSA-N 1 0 223.320 0.695 20 30 BCEDRO CC[NH+](CC)CC(=O)NCC(C)(C)C#N ZINC000337395130 135014648 /nfs/dbraw/zinc/01/46/48/135014648.db2.gz ISSVUWIKXPLOTQ-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CCC[C@@H]2C[NH3+])nn1 ZINC000424368839 387993674 /nfs/dbraw/zinc/99/36/74/387993674.db2.gz BWOMFEJVQUOGLQ-ZYHUDNBSSA-N 1 0 235.335 0.681 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@H]21 ZINC000245930727 387995991 /nfs/dbraw/zinc/99/59/91/387995991.db2.gz PIDZSOXILKTNSB-NWDGAFQWSA-N 1 0 235.331 0.745 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@@H]([NH3+])C2)C1 ZINC000424474165 388024432 /nfs/dbraw/zinc/02/44/32/388024432.db2.gz XMXGORHTCUHLTH-IVZWLZJFSA-N 1 0 222.292 0.421 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000424478739 388035291 /nfs/dbraw/zinc/03/52/91/388035291.db2.gz NNDOCALQWJIWPB-IVZWLZJFSA-N 1 0 222.292 0.340 20 30 BCEDRO CC(C)(C#N)CCN1CC[NH+](CCO)CC1 ZINC000083640332 388056893 /nfs/dbraw/zinc/05/68/93/388056893.db2.gz PKLDAQGTEQOSSI-UHFFFAOYSA-N 1 0 225.336 0.536 20 30 BCEDRO Cc1ncsc1CNC1=[NH+]C[C@H](C)N1 ZINC000261527466 135152164 /nfs/dbraw/zinc/15/21/64/135152164.db2.gz BMKPYLRVFPFTKC-LURJTMIESA-N 1 0 210.306 0.889 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@H](O)CO[C@H](C)COC ZINC000447296809 388061918 /nfs/dbraw/zinc/06/19/18/388061918.db2.gz RYPHQALOSQLUCN-NEPJUHHUSA-N 1 0 231.336 0.907 20 30 BCEDRO C=C(C)C[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000447384528 388066963 /nfs/dbraw/zinc/06/69/63/388066963.db2.gz MWXUOLYOYPITGL-CHWSQXEVSA-N 1 0 243.347 0.908 20 30 BCEDRO CC#CC[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000447391559 388068836 /nfs/dbraw/zinc/06/88/36/388068836.db2.gz KANATPHFAQUKBK-OLZOCXBDSA-N 1 0 241.331 0.356 20 30 BCEDRO CC1(C)[C@H](O)C[C@@H]1NC(=[NH2+])NCC1CCC1 ZINC000186874285 322813720 /nfs/dbraw/zinc/81/37/20/322813720.db2.gz KFYSCBVDRQYSHV-VHSXEESVSA-N 1 0 225.336 0.850 20 30 BCEDRO C[C@H]1C[C@@]1(C#N)C(=O)NCC[N@H+](C)C1CC1 ZINC000448792910 388111771 /nfs/dbraw/zinc/11/17/71/388111771.db2.gz FCSWOGSMWDRTOI-CABZTGNLSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@H](O)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083029648 388044788 /nfs/dbraw/zinc/04/47/88/388044788.db2.gz YQQLOTSMNOXASH-MWLCHTKSSA-N 1 0 249.314 0.795 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CN(C)C[C@H]1C ZINC000453322904 388046784 /nfs/dbraw/zinc/04/67/84/388046784.db2.gz AGJXBMTUNPRDIK-WYUUTHIRSA-N 1 0 210.321 0.870 20 30 BCEDRO CNC(NCCc1ccc2c(c1)OCCO2)=[NH+]C ZINC000195522162 388165566 /nfs/dbraw/zinc/16/55/66/388165566.db2.gz MMTXONKRSJQNFD-UHFFFAOYSA-N 1 0 249.314 0.795 20 30 BCEDRO C=C(CC)CNC(=O)NCC[N@H+](C)CCOC ZINC000454450377 388119168 /nfs/dbraw/zinc/11/91/68/388119168.db2.gz ZJWUGQHQCBTYDX-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=C[C@H](C)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454687920 388129706 /nfs/dbraw/zinc/12/97/06/388129706.db2.gz WZIRLXHTJWRYBG-GARJFASQSA-N 1 0 223.320 0.906 20 30 BCEDRO C#CCN(C(=O)C[NH+](C)C)C1CCCC1 ZINC000490717902 388249779 /nfs/dbraw/zinc/24/97/79/388249779.db2.gz FRSFLXPQFUBJCG-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000490740412 388251701 /nfs/dbraw/zinc/25/17/01/388251701.db2.gz LETOEIRLCDHEDA-LOWVWBTDSA-N 1 0 238.331 0.265 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000490760202 388252606 /nfs/dbraw/zinc/25/26/06/388252606.db2.gz KAEOLJGLRAXVNJ-NSHDSACASA-N 1 0 204.273 0.033 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@@H]1CN(CC)CCO1 ZINC000490780706 388254560 /nfs/dbraw/zinc/25/45/60/388254560.db2.gz POKYFPPYPAMUDY-ZDUSSCGKSA-N 1 0 248.326 0.192 20 30 BCEDRO C=CCCCS(=O)(=O)NC1CC[NH+](C)CC1 ZINC000489048748 388202702 /nfs/dbraw/zinc/20/27/02/388202702.db2.gz GAUYAQMGVXHUFF-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1C=CCCC1 ZINC000518168926 256560618 /nfs/dbraw/zinc/56/06/18/256560618.db2.gz LRTLTQFOYMPBNS-OLZOCXBDSA-N 1 0 237.347 0.891 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(CC#N)CC#N)CC1 ZINC000490594026 388241254 /nfs/dbraw/zinc/24/12/54/388241254.db2.gz KDIOQPFMWNDMOM-UHFFFAOYSA-N 1 0 244.298 0.207 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000490678307 388246800 /nfs/dbraw/zinc/24/68/00/388246800.db2.gz NFTNWGYTFODZBI-OUAUKWLOSA-N 1 0 240.372 0.950 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000490697226 388248052 /nfs/dbraw/zinc/24/80/52/388248052.db2.gz JTFDYDFANSPMFV-NXEZZACHSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H](CC)NC(=O)NCC[N@H+](C)C1CC1 ZINC000491278507 388281875 /nfs/dbraw/zinc/28/18/75/388281875.db2.gz UBUQOBCFNRHDNW-SNVBAGLBSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CC[N@@H+](C)CCC(=O)N1CCC[C@H]1C ZINC000491286983 388282545 /nfs/dbraw/zinc/28/25/45/388282545.db2.gz KBNPHCMTRZKRHF-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@@H]1CCCCO1 ZINC000491296452 388283379 /nfs/dbraw/zinc/28/33/79/388283379.db2.gz MDAMITGNNXSRRB-NEPJUHHUSA-N 1 0 209.289 0.890 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@](C)(O)C(=O)OCC ZINC000451605184 388283500 /nfs/dbraw/zinc/28/35/00/388283500.db2.gz CNHRMEIXABFWAZ-SCVCMEIPSA-N 1 0 243.303 0.234 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@H]1CCCCO1 ZINC000491296455 388283636 /nfs/dbraw/zinc/28/36/36/388283636.db2.gz MDAMITGNNXSRRB-VXGBXAGGSA-N 1 0 209.289 0.890 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2CCO[C@H]2C=C)C1=O ZINC000451615375 388284337 /nfs/dbraw/zinc/28/43/37/388284337.db2.gz VNYVMYJWFNFCKG-UTUOFQBUSA-N 1 0 236.315 0.706 20 30 BCEDRO C#CCN(C)C(=O)NCc1cncn1C ZINC000491314938 388284368 /nfs/dbraw/zinc/28/43/68/388284368.db2.gz JYWKHQQBADYDBG-UHFFFAOYSA-N 1 0 206.249 0.195 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CCOCC ZINC000451613507 388284415 /nfs/dbraw/zinc/28/44/15/388284415.db2.gz NPZCNRXWVYVISL-UTUOFQBUSA-N 1 0 229.320 0.707 20 30 BCEDRO C#CCN(C(=O)NC[C@H](C)C[NH3+])C1CC1 ZINC000491337659 388286360 /nfs/dbraw/zinc/28/63/60/388286360.db2.gz BROYKYXLWRJFMQ-SECBINFHSA-N 1 0 209.293 0.388 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@H](C)C[NH3+] ZINC000491339917 388286519 /nfs/dbraw/zinc/28/65/19/388286519.db2.gz UEVUQOIJGLRNDC-ZJUUUORDSA-N 1 0 211.309 0.682 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCOCCOC ZINC000451677524 388289171 /nfs/dbraw/zinc/28/91/71/388289171.db2.gz UVRQYOKVHUVBER-NEPJUHHUSA-N 1 0 229.320 0.973 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@](C)(O)C(=O)OC ZINC000451681427 388289566 /nfs/dbraw/zinc/28/95/66/388289566.db2.gz MIVPDPAASAOLKL-JFGNBEQYSA-N 1 0 243.303 0.234 20 30 BCEDRO C#CC[N@H+](CC#CC)CCCC(=O)N(C)C ZINC000491381960 388290168 /nfs/dbraw/zinc/29/01/68/388290168.db2.gz GZDZRBRCPBEBLS-UHFFFAOYSA-N 1 0 220.316 0.813 20 30 BCEDRO C#C[C@H](NC(=O)NCC[NH3+])c1ccc(F)cc1 ZINC000491381435 388290188 /nfs/dbraw/zinc/29/01/88/388290188.db2.gz FAWXEASVHCBRLC-NSHDSACASA-N 1 0 235.262 0.758 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000491380924 388290337 /nfs/dbraw/zinc/29/03/37/388290337.db2.gz BRDUWAYWFSDPAB-NXEZZACHSA-N 1 0 209.293 0.436 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1ccccc1 ZINC000491381844 388290431 /nfs/dbraw/zinc/29/04/31/388290431.db2.gz GPMUUKZCRPIZIR-VXGBXAGGSA-N 1 0 205.257 0.304 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@@H]([NH3+])CC(C)C ZINC000491384258 388290658 /nfs/dbraw/zinc/29/06/58/388290658.db2.gz OFHFHWLEDFHUJX-NWDGAFQWSA-N 1 0 210.321 0.694 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)C/C=C\C ZINC000491385953 388290918 /nfs/dbraw/zinc/29/09/18/388290918.db2.gz SZEANDICGYCBDL-USEMIUTHSA-N 1 0 224.304 0.043 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000491386043 388291002 /nfs/dbraw/zinc/29/10/02/388291002.db2.gz UGUIQNMUNZTKOG-UWVGGRQHSA-N 1 0 209.293 0.402 20 30 BCEDRO C=CCN1C[C@H](C)N(CC=C)C[C@@H]1C(=O)OC ZINC000451702452 388291149 /nfs/dbraw/zinc/29/11/49/388291149.db2.gz SNTKPPKOXGGBBA-NWDGAFQWSA-N 1 0 238.331 0.906 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(OC)cn1 ZINC000491420318 388293471 /nfs/dbraw/zinc/29/34/71/388293471.db2.gz WZFOELYLPQCYQV-UHFFFAOYSA-N 1 0 247.298 0.319 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)Cn1ccnc1 ZINC000491420329 388293569 /nfs/dbraw/zinc/29/35/69/388293569.db2.gz XCRXDXYEQLPGQK-NSHDSACASA-N 1 0 234.303 0.001 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCCOC(=O)NC(N)=O ZINC000491473730 388297279 /nfs/dbraw/zinc/29/72/79/388297279.db2.gz HDRFSCFRFXKDPV-MRVPVSSYSA-N 1 0 227.264 0.135 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)CC1CCC1 ZINC000491483678 388297891 /nfs/dbraw/zinc/29/78/91/388297891.db2.gz DKWUADADYJYFEE-GFCCVEGCSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1(CCOC)CC1 ZINC000491484535 388298094 /nfs/dbraw/zinc/29/80/94/388298094.db2.gz JCZFYEFDMUVXFQ-UHFFFAOYSA-N 1 0 238.331 0.532 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)CCCO ZINC000491485477 388298276 /nfs/dbraw/zinc/29/82/76/388298276.db2.gz OZBMSUUZUOPOKX-UHFFFAOYSA-N 1 0 240.347 0.514 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H]2COCC2(C)C)C1=O ZINC000451814324 388298407 /nfs/dbraw/zinc/29/84/07/388298407.db2.gz SYHWKEYPZAJIFP-WDEREUQCSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)COC(F)F ZINC000491497160 388299291 /nfs/dbraw/zinc/29/92/91/388299291.db2.gz VZILKHLQVJFJSQ-VIFPVBQESA-N 1 0 247.241 0.866 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000491507831 388299885 /nfs/dbraw/zinc/29/98/85/388299885.db2.gz XLGVVVZBGAXNHK-UWVGGRQHSA-N 1 0 209.293 0.402 20 30 BCEDRO C#CCNC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000491524125 388301310 /nfs/dbraw/zinc/30/13/10/388301310.db2.gz JISVUOVFCAIKPI-RYUDHWBXSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@H](C)[C@H](C)C2)C1=O ZINC000491535560 388301795 /nfs/dbraw/zinc/30/17/95/388301795.db2.gz CSRDSOQRDFERRI-TUAOUCFPSA-N 1 0 248.326 0.725 20 30 BCEDRO C#C[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1 ZINC000491542842 388302587 /nfs/dbraw/zinc/30/25/87/388302587.db2.gz CNPQKBHWDWDFLX-NSHDSACASA-N 1 0 232.283 0.599 20 30 BCEDRO C#C[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1 ZINC000491542841 388302720 /nfs/dbraw/zinc/30/27/20/388302720.db2.gz CNPQKBHWDWDFLX-LLVKDONJSA-N 1 0 232.283 0.599 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CC[C@@H](C)O1 ZINC000491554539 388303294 /nfs/dbraw/zinc/30/32/94/388303294.db2.gz KCEUEYXMBIZPKI-MNOVXSKESA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000491569032 388304153 /nfs/dbraw/zinc/30/41/53/388304153.db2.gz UFIJSEXUCXQHJT-QJPTWQEYSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CCN(C[C@@H](O)C[N@@H+](C)CC)C1CC1 ZINC000491620655 388305555 /nfs/dbraw/zinc/30/55/55/388305555.db2.gz CPZJPXGSFFCGHN-LBPRGKRZSA-N 1 0 210.321 0.397 20 30 BCEDRO C#CC[NH+](CC#C)CCCC(=O)N(C)C ZINC000491622200 388305690 /nfs/dbraw/zinc/30/56/90/388305690.db2.gz FBGIRKNNDLDFFD-UHFFFAOYSA-N 1 0 206.289 0.423 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1O ZINC000491632111 388306573 /nfs/dbraw/zinc/30/65/73/388306573.db2.gz SESUCXYFNOGPLU-QWRGUYRKSA-N 1 0 224.304 0.019 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(CF)CC1 ZINC000491634788 388306917 /nfs/dbraw/zinc/30/69/17/388306917.db2.gz QZOKLXRQSJPATG-UHFFFAOYSA-N 1 0 226.295 0.807 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@]1(C#N)C[C@@H]1C ZINC000491636283 388307313 /nfs/dbraw/zinc/30/73/13/388307313.db2.gz XGACNZYPIRVENS-AAEUAGOBSA-N 1 0 233.315 0.607 20 30 BCEDRO C#CCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000491642988 388307551 /nfs/dbraw/zinc/30/75/51/388307551.db2.gz COYLEZMOCLMHEC-UWVGGRQHSA-N 1 0 209.293 0.307 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000491656375 388308432 /nfs/dbraw/zinc/30/84/32/388308432.db2.gz IIQLWHPIQABDBO-NWDGAFQWSA-N 1 0 235.331 0.888 20 30 BCEDRO C#CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000491659918 388309028 /nfs/dbraw/zinc/30/90/28/388309028.db2.gz LTKJXJHDORYEMT-JTQLQIEISA-N 1 0 209.293 0.436 20 30 BCEDRO C#C[C@H](CC)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000491663452 388309214 /nfs/dbraw/zinc/30/92/14/388309214.db2.gz MWHGOFSUUDZYBT-LLVKDONJSA-N 1 0 248.330 0.586 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]1OCC ZINC000491663276 388309335 /nfs/dbraw/zinc/30/93/35/388309335.db2.gz DADSPEBGDBQFSK-VXGBXAGGSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1ccc(C)cn1 ZINC000491664551 388309531 /nfs/dbraw/zinc/30/95/31/388309531.db2.gz TVELRUBSDMECHW-UHFFFAOYSA-N 1 0 245.326 0.662 20 30 BCEDRO C#CCO[C@@H](C)C(=O)OC[C@H]1CCC[N@@H+]1CC#C ZINC000491672274 388309867 /nfs/dbraw/zinc/30/98/67/388309867.db2.gz ROXHWZMSBQGDHT-QWHCGFSZSA-N 1 0 249.310 0.666 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000491672291 388309933 /nfs/dbraw/zinc/30/99/33/388309933.db2.gz TWSQKYRLGRFPMG-NEPJUHHUSA-N 1 0 236.315 0.187 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOC(F)(F)F ZINC000491680480 388310519 /nfs/dbraw/zinc/31/05/19/388310519.db2.gz ZYIFAKVBTOXYSG-UHFFFAOYSA-N 1 0 238.209 0.252 20 30 BCEDRO C#CCNC(=O)CCN1CCC[C@H]([NH+](C)C)C1 ZINC000491689610 388310779 /nfs/dbraw/zinc/31/07/79/388310779.db2.gz JFDZXEBECCUUDM-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCNC(=O)N1CCC(CC[NH2+]C)CC1 ZINC000491691402 388311095 /nfs/dbraw/zinc/31/10/95/388311095.db2.gz GDXOWFJSGMOHIO-UHFFFAOYSA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@](C)(CC)OC ZINC000491694597 388311834 /nfs/dbraw/zinc/31/18/34/388311834.db2.gz LLHDFTCAURQSGM-LBPRGKRZSA-N 1 0 226.320 0.531 20 30 BCEDRO C#C[C@@H]1COCCN1CC[NH2+]C(C)(C)C ZINC000491697626 388312099 /nfs/dbraw/zinc/31/20/99/388312099.db2.gz QBGYQEZKUUARQT-LLVKDONJSA-N 1 0 210.321 0.709 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)COCCOC)C1CC1 ZINC000491700495 388312497 /nfs/dbraw/zinc/31/24/97/388312497.db2.gz GILHBVFLHBFTLR-LBPRGKRZSA-N 1 0 227.304 0.108 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N1C[C@@H](C)[C@H]1C ZINC000491700809 388312506 /nfs/dbraw/zinc/31/25/06/388312506.db2.gz PEOYCIYQKQLJIW-VXGBXAGGSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000491711502 388313773 /nfs/dbraw/zinc/31/37/73/388313773.db2.gz VHNGTEPCLYIVNN-VHSXEESVSA-N 1 0 209.293 0.305 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1[C@H](C)CC[C@@H]1C ZINC000491718866 388314421 /nfs/dbraw/zinc/31/44/21/388314421.db2.gz WSDCNWJFJUQVGO-PHIMTYICSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCO[C@H](CC)C1 ZINC000491719413 388314470 /nfs/dbraw/zinc/31/44/70/388314470.db2.gz ZVWNDOLUFFOSRQ-VXGBXAGGSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CC[NH2+]C[C@H]1C)C1CC1 ZINC000491718084 388314509 /nfs/dbraw/zinc/31/45/09/388314509.db2.gz ZHWPXUIPDGSBFX-PWSUYJOCSA-N 1 0 235.331 0.792 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](COCC)C(C)C ZINC000491727529 388315234 /nfs/dbraw/zinc/31/52/34/388315234.db2.gz LJAIJNDCPGYJOH-GFCCVEGCSA-N 1 0 240.347 0.777 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000491735402 388316089 /nfs/dbraw/zinc/31/60/89/388316089.db2.gz UCDNTMPYXSICJM-NEPJUHHUSA-N 1 0 223.247 0.443 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1CCN(CC=C)CC1 ZINC000491737493 388316434 /nfs/dbraw/zinc/31/64/34/388316434.db2.gz QLEMNQWUWDRFHG-UHFFFAOYSA-N 1 0 249.358 0.366 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)CO[C@@H](C)COC)C1CC1 ZINC000491742473 388317110 /nfs/dbraw/zinc/31/71/10/388317110.db2.gz SOPXACJZKSGYPB-WCQYABFASA-N 1 0 241.331 0.496 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CSC)C(C)C ZINC000491759010 388318369 /nfs/dbraw/zinc/31/83/69/388318369.db2.gz KWPHUSDVDBRALL-UWVGGRQHSA-N 1 0 201.335 0.958 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CSC)C(C)C ZINC000491759026 388318578 /nfs/dbraw/zinc/31/85/78/388318578.db2.gz KWPHUSDVDBRALL-ZJUUUORDSA-N 1 0 201.335 0.958 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000491764129 388318848 /nfs/dbraw/zinc/31/88/48/388318848.db2.gz CUIVTZHQAXTYIH-VWYCJHECSA-N 1 0 223.320 0.648 20 30 BCEDRO C#CC[NH+]1CCC([C@H]2NC(=O)C2(C)C)CC1 ZINC000491771904 388319381 /nfs/dbraw/zinc/31/93/81/388319381.db2.gz RRPRHEVQHPUDJS-LLVKDONJSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([NH+]2CCC(CC)CC2)C1=O ZINC000491781694 388320670 /nfs/dbraw/zinc/32/06/70/388320670.db2.gz GSRVHAXJMQBSMB-GFCCVEGCSA-N 1 0 248.326 0.869 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CCCOC(C)C ZINC000491783302 388320674 /nfs/dbraw/zinc/32/06/74/388320674.db2.gz JMDDVBZAPIXBID-LBPRGKRZSA-N 1 0 240.347 0.871 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)[C@H](C)C[NH3+])C(C)C ZINC000491785914 388321093 /nfs/dbraw/zinc/32/10/93/388321093.db2.gz VQTXLCIVQOKFBS-NXEZZACHSA-N 1 0 211.309 0.633 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])C(C)C ZINC000491791812 388321329 /nfs/dbraw/zinc/32/13/29/388321329.db2.gz BVTFSKACUIRSLN-BBBLOLIVSA-N 1 0 211.309 0.679 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccccc1CO ZINC000491812319 388322931 /nfs/dbraw/zinc/32/29/31/388322931.db2.gz NSDMUUVJTVNSRL-UHFFFAOYSA-N 1 0 246.310 0.408 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000491816308 388323119 /nfs/dbraw/zinc/32/31/19/388323119.db2.gz WCIJKVNNNRRJND-YNEHKIRRSA-N 1 0 241.331 0.496 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1ccco1 ZINC000491822087 388324082 /nfs/dbraw/zinc/32/40/82/388324082.db2.gz ZMOUDKKFIMUSTC-UHFFFAOYSA-N 1 0 220.272 0.551 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)/C=C\C[NH+](C)C ZINC000491906161 388327228 /nfs/dbraw/zinc/32/72/28/388327228.db2.gz OSVXYKFUUFVDLZ-OMMCCPJFSA-N 1 0 209.293 0.722 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000336663340 388262169 /nfs/dbraw/zinc/26/21/69/388262169.db2.gz CVMZSAUKDFMYAH-WDEREUQCSA-N 1 0 224.304 0.810 20 30 BCEDRO CC#CC[N@H+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000451334435 388263634 /nfs/dbraw/zinc/26/36/34/388263634.db2.gz LKPMGVMNEICYQI-GFCCVEGCSA-N 1 0 225.288 0.521 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000491041560 388267353 /nfs/dbraw/zinc/26/73/53/388267353.db2.gz ZPIQURGHCRFHKY-WCQYABFASA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H](C2CC2)C1 ZINC000491118882 388269583 /nfs/dbraw/zinc/26/95/83/388269583.db2.gz GIWAAQZBGRLRDW-LBPRGKRZSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@@H]1C ZINC000491119440 388270740 /nfs/dbraw/zinc/27/07/40/388270740.db2.gz ISIXQLDUEUFHGC-SRVKXCTJSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000491122959 388271120 /nfs/dbraw/zinc/27/11/20/388271120.db2.gz YVIHUERLVIBVPS-VXGBXAGGSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@]1(CCC)CCOC1 ZINC000491165749 388274321 /nfs/dbraw/zinc/27/43/21/388274321.db2.gz NAKZJDVYAWWTIY-CYBMUJFWSA-N 1 0 238.331 0.675 20 30 BCEDRO C#CCN(CCCCF)[C@H]1CCS(=O)(=O)C1 ZINC000491178819 388275255 /nfs/dbraw/zinc/27/52/55/388275255.db2.gz BSUAEKQCTLDGML-NSHDSACASA-N 1 0 247.335 0.858 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000491200586 388276341 /nfs/dbraw/zinc/27/63/41/388276341.db2.gz BFJIQQJEBIUDFJ-YPMHNXCESA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCOC[C@]1(C)CC ZINC000491201810 388276635 /nfs/dbraw/zinc/27/66/35/388276635.db2.gz JWSAVJATRWHWFB-ZDUSSCGKSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC[C@]1(C)CO ZINC000491200585 388276905 /nfs/dbraw/zinc/27/69/05/388276905.db2.gz BFJIQQJEBIUDFJ-WCQYABFASA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000491203799 388277024 /nfs/dbraw/zinc/27/70/24/388277024.db2.gz ZGVYUJUHNGVNGA-VIFPVBQESA-N 1 0 246.257 0.439 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)Cc1cnn(C)c1 ZINC000491209090 388277207 /nfs/dbraw/zinc/27/72/07/388277207.db2.gz BOPLPSQSDHCPNA-LLVKDONJSA-N 1 0 248.330 0.080 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000491203645 388277262 /nfs/dbraw/zinc/27/72/62/388277262.db2.gz YEMJAGSWTZZCJP-VXGBXAGGSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000491203654 388277278 /nfs/dbraw/zinc/27/72/78/388277278.db2.gz YFJCGKGIVPNGRW-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@@H]2C)CC1 ZINC000491210006 388277802 /nfs/dbraw/zinc/27/78/02/388277802.db2.gz OWILSHKRGOCKLH-OLZOCXBDSA-N 1 0 249.358 0.104 20 30 BCEDRO C[C@H](O)C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000225884823 388344672 /nfs/dbraw/zinc/34/46/72/388344672.db2.gz LWNXRPAUIMMFEG-GXFFZTMASA-N 1 0 234.299 0.904 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000646369702 388346762 /nfs/dbraw/zinc/34/67/62/388346762.db2.gz KUVHCEANRWUHJB-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO N#Cc1cccc(CN2CCO[C@H](C[NH3+])C2)c1 ZINC000165523961 388404656 /nfs/dbraw/zinc/40/46/56/388404656.db2.gz BDMRIKDQWIMJJQ-CYBMUJFWSA-N 1 0 231.299 0.718 20 30 BCEDRO N#Cc1ccccc1OCc1cn(CC[NH3+])nn1 ZINC000594641221 388361054 /nfs/dbraw/zinc/36/10/54/388361054.db2.gz WEFUSZCTVYLVCB-UHFFFAOYSA-N 1 0 243.270 0.687 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cnc(C)s1 ZINC000163737554 388367537 /nfs/dbraw/zinc/36/75/37/388367537.db2.gz UNLORLCZQANMAV-UHFFFAOYSA-N 1 0 237.328 0.681 20 30 BCEDRO C[NH+](C)CC(=O)NCc1cccc(C#N)c1 ZINC000193551026 388371194 /nfs/dbraw/zinc/37/11/94/388371194.db2.gz DMDAXWVGNQIHGG-UHFFFAOYSA-N 1 0 217.272 0.736 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(C#N)nc1 ZINC000132972600 388373807 /nfs/dbraw/zinc/37/38/07/388373807.db2.gz YZVJLECQWCCZJK-LBPRGKRZSA-N 1 0 234.303 0.678 20 30 BCEDRO N#Cc1ccc(CCNC(=O)C2([NH3+])CC2)cc1 ZINC000595249644 388380268 /nfs/dbraw/zinc/38/02/68/388380268.db2.gz HSVDBSURGREUKG-UHFFFAOYSA-N 1 0 229.283 0.708 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1c1cc(C#N)ncn1 ZINC000549253945 388381234 /nfs/dbraw/zinc/38/12/34/388381234.db2.gz KWBMGPKLZNTSQC-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CCC[NH2+]C1 ZINC000236654864 388381686 /nfs/dbraw/zinc/38/16/86/388381686.db2.gz CPGVSIIKIWMHCH-SECBINFHSA-N 1 0 218.322 0.234 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCC[NH2+]C ZINC000237073794 388388678 /nfs/dbraw/zinc/38/86/78/388388678.db2.gz RDQNGJHVUIAAIX-VIFPVBQESA-N 1 0 200.282 0.303 20 30 BCEDRO C=CCn1cc(C(=O)N(C)CC[NH+](C)C)nn1 ZINC000648807225 388391672 /nfs/dbraw/zinc/39/16/72/388391672.db2.gz ROANGXSNVBBREN-UHFFFAOYSA-N 1 0 237.307 0.098 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCC[NH+]1CCCCC1 ZINC000646592279 388392183 /nfs/dbraw/zinc/39/21/83/388392183.db2.gz OUULBAVDJHVYCR-LLVKDONJSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000646600539 388393651 /nfs/dbraw/zinc/39/36/51/388393651.db2.gz DRSHUQVNESFREG-LLVKDONJSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CCN(C(=O)COC1CC[NH2+]CC1)C1CC1 ZINC000165273499 388395669 /nfs/dbraw/zinc/39/56/69/388395669.db2.gz ZTAHHXIZITXNLZ-UHFFFAOYSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCN(C)C[C@@H](O)C[N@@H+](C)CCOC ZINC000573016501 388406702 /nfs/dbraw/zinc/40/67/02/388406702.db2.gz TWAFCADGFSAZFS-LLVKDONJSA-N 1 0 216.325 0.043 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000646642895 388399744 /nfs/dbraw/zinc/39/97/44/388399744.db2.gz PFZAVHVAEZPIOW-GFCCVEGCSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000646741759 388451663 /nfs/dbraw/zinc/45/16/63/388451663.db2.gz HYOHLEXSMMEDAI-TUAOUCFPSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](COCC)C1 ZINC000176321361 388451787 /nfs/dbraw/zinc/45/17/87/388451787.db2.gz RZWWMFLQCOJPKF-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H](c2cc[nH]n2)C1 ZINC000193851828 388467219 /nfs/dbraw/zinc/46/72/19/388467219.db2.gz IVPFFOPRGNBVMA-LLVKDONJSA-N 1 0 248.330 0.891 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)C[C@@H]1CCC[NH2+]1 ZINC000515645396 256752540 /nfs/dbraw/zinc/75/25/40/256752540.db2.gz XKZXYMQNMOUWGB-QMMMGPOBSA-N 1 0 219.248 0.362 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+](CC)CC(=O)N(C)C ZINC000649245397 388468355 /nfs/dbraw/zinc/46/83/55/388468355.db2.gz AOQUDMDMQKKJLC-SNVBAGLBSA-N 1 0 214.309 0.334 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000339082423 388476871 /nfs/dbraw/zinc/47/68/71/388476871.db2.gz FHVDRUMKJXCLRA-SRVKXCTJSA-N 1 0 211.305 0.892 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000646690103 388418328 /nfs/dbraw/zinc/41/83/28/388418328.db2.gz KBMMUDGOJNLIRT-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCOCC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000297775679 388431947 /nfs/dbraw/zinc/43/19/47/388431947.db2.gz VWJSAGUUFSSAAQ-NSHDSACASA-N 1 0 214.309 0.679 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[NH2+]C(C)C ZINC000517394499 388550389 /nfs/dbraw/zinc/55/03/89/388550389.db2.gz IDAXQWYYMRHLIY-QWRGUYRKSA-N 1 0 226.320 0.692 20 30 BCEDRO C[C@@]1(C#N)CCN(C[C@@H](O)CC2(O)CCC2)C1 ZINC000528561267 388546768 /nfs/dbraw/zinc/54/67/68/388546768.db2.gz PNYZWPQPLYIXRV-RYUDHWBXSA-N 1 0 238.331 0.888 20 30 BCEDRO CC#CCNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000135191021 388483873 /nfs/dbraw/zinc/48/38/73/388483873.db2.gz UHCXMEVXPBJQHL-SNVBAGLBSA-N 1 0 226.345 0.563 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000491503167 256788515 /nfs/dbraw/zinc/78/85/15/256788515.db2.gz BGEJVGXLSFOFAD-USZNOCQGSA-N 1 0 220.316 0.903 20 30 BCEDRO CCOC(=O)CCCNC1=[NH+]CCCN1 ZINC000341472554 388495743 /nfs/dbraw/zinc/49/57/43/388495743.db2.gz GCOQACLGGOWKJH-UHFFFAOYSA-N 1 0 213.281 0.269 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000646774405 388496381 /nfs/dbraw/zinc/49/63/81/388496381.db2.gz FJKYTVKUHZDYBM-GFCCVEGCSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648924381 388497070 /nfs/dbraw/zinc/49/70/70/388497070.db2.gz MJXHBWNVKJZFOS-IJLUTSLNSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648924380 388497087 /nfs/dbraw/zinc/49/70/87/388497087.db2.gz MJXHBWNVKJZFOS-GRYCIOLGSA-N 1 0 240.347 0.770 20 30 BCEDRO CC#CCNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000135641572 388503949 /nfs/dbraw/zinc/50/39/49/388503949.db2.gz ZPDQLRKAFZPZDL-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530026455 388606108 /nfs/dbraw/zinc/60/61/08/388606108.db2.gz IPABDHBMYLDWDZ-NWDGAFQWSA-N 1 0 238.331 0.666 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@H]1C[NH2+]C ZINC000646815666 388552390 /nfs/dbraw/zinc/55/23/90/388552390.db2.gz RTXLSQSIFKGMNJ-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO CN(CC[NH+](C)C)S(=O)(=O)CCCCC#N ZINC000081061219 388567354 /nfs/dbraw/zinc/56/73/54/388567354.db2.gz SNYAPAUMQZTOGS-UHFFFAOYSA-N 1 0 247.364 0.503 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](CC)COC ZINC000328175307 388581221 /nfs/dbraw/zinc/58/12/21/388581221.db2.gz LQXYCQSHMWVEPA-LBPRGKRZSA-N 1 0 212.337 0.956 20 30 BCEDRO COc1cc(CN(CC[NH3+])CCO)ccc1C#N ZINC000414913602 388665723 /nfs/dbraw/zinc/66/57/23/388665723.db2.gz MQVWXEUYXHBBBF-UHFFFAOYSA-N 1 0 249.314 0.320 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)[C@@H](C)Oc1ccc(C#N)cc1 ZINC000520830393 388670564 /nfs/dbraw/zinc/67/05/64/388670564.db2.gz GVLRHOYCIILOFA-NXEZZACHSA-N 1 0 247.298 0.789 20 30 BCEDRO N#Cc1cccc(CCNC(=O)NCCC[NH3+])c1 ZINC000418146807 388674700 /nfs/dbraw/zinc/67/47/00/388674700.db2.gz LAVGXEWZPXTWLE-UHFFFAOYSA-N 1 0 246.314 0.749 20 30 BCEDRO C=CCCOCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000646847621 388624078 /nfs/dbraw/zinc/62/40/78/388624078.db2.gz BRFPNRQJSCNHGY-GHMZBOCLSA-N 1 0 242.319 0.154 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000646845293 388624622 /nfs/dbraw/zinc/62/46/22/388624622.db2.gz BWSJOECCAKSYSF-NWDGAFQWSA-N 1 0 238.331 0.478 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](COCC)C1 ZINC000246243206 388625545 /nfs/dbraw/zinc/62/55/45/388625545.db2.gz RZWWMFLQCOJPKF-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000646858391 388626296 /nfs/dbraw/zinc/62/62/96/388626296.db2.gz VYKIRVPYIJCSMJ-LLVKDONJSA-N 1 0 226.320 0.334 20 30 BCEDRO C#CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000246289872 388629436 /nfs/dbraw/zinc/62/94/36/388629436.db2.gz KTSBDQKVEXRZMV-WDEREUQCSA-N 1 0 223.320 0.601 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@H](O)[C@H]2CCOC2)cc1C#N ZINC000359714055 388630993 /nfs/dbraw/zinc/63/09/93/388630993.db2.gz CPTGTPLRURNNED-WCQYABFASA-N 1 0 249.314 0.384 20 30 BCEDRO CC#CCC[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342361834 135262889 /nfs/dbraw/zinc/26/28/89/135262889.db2.gz BEVNGSJUCQBGRX-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC(CC[NH3+])CC1 ZINC000521884780 388638763 /nfs/dbraw/zinc/63/87/63/388638763.db2.gz DMSLHQUOOMKMBX-UHFFFAOYSA-N 1 0 246.376 0.953 20 30 BCEDRO C[C@H]1CCC[N@H+](CCNc2ccnc(C#N)n2)C1 ZINC000514637418 388643352 /nfs/dbraw/zinc/64/33/52/388643352.db2.gz SJGSBDLLYFDNFB-NSHDSACASA-N 1 0 245.330 0.914 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](COCC)C(C)C ZINC000189798651 388644005 /nfs/dbraw/zinc/64/40/05/388644005.db2.gz IKPHLINZGZZAJG-NWDGAFQWSA-N 1 0 240.347 0.775 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NN2CCCCC2)CC1 ZINC000123465344 388646169 /nfs/dbraw/zinc/64/61/69/388646169.db2.gz YTLZUEGEKHPYJS-UHFFFAOYSA-N 1 0 249.358 0.849 20 30 BCEDRO C=CC[C@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000261555116 388649365 /nfs/dbraw/zinc/64/93/65/388649365.db2.gz USFBJXFHDQGPDU-VIFPVBQESA-N 1 0 212.293 0.446 20 30 BCEDRO CC[N@@H+]1CCN(c2ccnc(C#N)n2)[C@@H](C)C1 ZINC000517960365 388661589 /nfs/dbraw/zinc/66/15/89/388661589.db2.gz IMWPAGQVHKXSIG-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO N#Cc1ccc(CN2C[C@H](O)[C@@H](CO)C2)s1 ZINC000517583402 388661732 /nfs/dbraw/zinc/66/17/32/388661732.db2.gz KUWOLNJOFCEACG-KCJUWKMLSA-N 1 0 238.312 0.405 20 30 BCEDRO N#Cc1ccc(CN2C[C@@H](O)[C@H](CO)C2)s1 ZINC000517583400 388661936 /nfs/dbraw/zinc/66/19/36/388661936.db2.gz KUWOLNJOFCEACG-GZMMTYOYSA-N 1 0 238.312 0.405 20 30 BCEDRO CS[C@@H](C)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262477119 135301748 /nfs/dbraw/zinc/30/17/48/135301748.db2.gz QJLYCTOBJIXCHB-IUCAKERBSA-N 1 0 231.365 0.773 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3cnccc3C#N)C[C@H]21 ZINC000329097499 388744263 /nfs/dbraw/zinc/74/42/63/388744263.db2.gz LPYRPAKPCJNLNY-OLZOCXBDSA-N 1 0 244.298 0.472 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1cc(C#N)[nH]c1C ZINC000448974197 388747297 /nfs/dbraw/zinc/74/72/97/388747297.db2.gz AVQAVGSBZGDHAW-UHFFFAOYSA-N 1 0 234.303 0.876 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000539114396 388748671 /nfs/dbraw/zinc/74/86/71/388748671.db2.gz DKEXOBTWKDTCHX-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO CSCC[C@H](C)[N@H+](C)CC(=O)NCC#N ZINC000126575085 388698582 /nfs/dbraw/zinc/69/85/82/388698582.db2.gz DWJFIIGSXWNZLZ-VIFPVBQESA-N 1 0 229.349 0.700 20 30 BCEDRO CC#CCCCC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000552439197 388707759 /nfs/dbraw/zinc/70/77/59/388707759.db2.gz CONNUURTRCSWHQ-RYUDHWBXSA-N 1 0 238.331 0.313 20 30 BCEDRO C=CCCC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000087613562 388709430 /nfs/dbraw/zinc/70/94/30/388709430.db2.gz OUIJQJYZOJFCRK-SNVBAGLBSA-N 1 0 211.309 0.054 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249532857 388727307 /nfs/dbraw/zinc/72/73/07/388727307.db2.gz BLVTZUHELPDYOC-MNOVXSKESA-N 1 0 208.305 0.986 20 30 BCEDRO CO[C@@H](CNC(=[NH2+])N(C)C1CC1)C1CC1 ZINC000263209668 135339052 /nfs/dbraw/zinc/33/90/52/135339052.db2.gz YUUDJCUOPCPCMB-JTQLQIEISA-N 1 0 211.309 0.820 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000332688133 388795588 /nfs/dbraw/zinc/79/55/88/388795588.db2.gz JTNCOEDQWWBIQO-SNVBAGLBSA-N 1 0 246.314 0.910 20 30 BCEDRO CC[NH+](CC)CCCn1c(N)nc(C#N)c1C#N ZINC000194531071 388813728 /nfs/dbraw/zinc/81/37/28/388813728.db2.gz BFNJTEJDEQLZCM-UHFFFAOYSA-N 1 0 246.318 0.941 20 30 BCEDRO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642639263 388806800 /nfs/dbraw/zinc/80/68/00/388806800.db2.gz SZIJICYYUTXVIM-UWVGGRQHSA-N 1 0 241.335 0.311 20 30 BCEDRO C[C@H](CNC(=O)c1cc(C#N)cn1C)C[NH+](C)C ZINC000330626233 388759363 /nfs/dbraw/zinc/75/93/63/388759363.db2.gz VCMCLCCGXIJMTL-SNVBAGLBSA-N 1 0 248.330 0.824 20 30 BCEDRO C[NH+](C)[C@H]1CCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000193137655 388769088 /nfs/dbraw/zinc/76/90/88/388769088.db2.gz YZHNRTPOHZORIT-LBPRGKRZSA-N 1 0 244.298 0.729 20 30 BCEDRO C#CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000228889197 388776465 /nfs/dbraw/zinc/77/64/65/388776465.db2.gz JWYQMVMVNDDORS-GIPNMCIBSA-N 1 0 236.315 0.268 20 30 BCEDRO C#CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@@H]2C1(C)C ZINC000228889184 388776620 /nfs/dbraw/zinc/77/66/20/388776620.db2.gz JWYQMVMVNDDORS-OUJBWJOFSA-N 1 0 236.315 0.268 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N2CCOC[C@@H]2C#N)C1 ZINC000553492979 388778182 /nfs/dbraw/zinc/77/81/82/388778182.db2.gz MSDPLPGMGKZOFG-QWRGUYRKSA-N 1 0 237.303 0.079 20 30 BCEDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000280381754 388780869 /nfs/dbraw/zinc/78/08/69/388780869.db2.gz WEGUICFGOVRCRS-LBPRGKRZSA-N 1 0 233.271 0.849 20 30 BCEDRO N#Cc1ccc(N2CC[NH+](CCCO)CC2)cn1 ZINC000125567697 388791036 /nfs/dbraw/zinc/79/10/36/388791036.db2.gz NBWHRWWXWMTPBZ-UHFFFAOYSA-N 1 0 246.314 0.458 20 30 BCEDRO Cc1nsc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1C#N ZINC000333510246 388816078 /nfs/dbraw/zinc/81/60/78/388816078.db2.gz IZUKXBHULRWGFI-DTORHVGOSA-N 1 0 234.328 0.979 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000541016311 388835730 /nfs/dbraw/zinc/83/57/30/388835730.db2.gz MRIHKROSKKZUCC-SNVBAGLBSA-N 1 0 236.319 0.707 20 30 BCEDRO COc1cc(C#N)ccc1C[N@H+](C)CCC(N)=O ZINC000285394573 388835787 /nfs/dbraw/zinc/83/57/87/388835787.db2.gz AKQFIDQRRDRAFP-UHFFFAOYSA-N 1 0 247.298 0.874 20 30 BCEDRO CCOCC[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000564864501 388895826 /nfs/dbraw/zinc/89/58/26/388895826.db2.gz OSSGYAUEDAFEJI-SNVBAGLBSA-N 1 0 212.293 0.667 20 30 BCEDRO C=CCOCCCC(=O)NC[C@@H](C)[NH3+] ZINC000194863379 388900778 /nfs/dbraw/zinc/90/07/78/388900778.db2.gz SLJXJVWSMRMKKZ-SECBINFHSA-N 1 0 200.282 0.433 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC([NH2+]C)CC2)C1=O ZINC000565892750 388976507 /nfs/dbraw/zinc/97/65/07/388976507.db2.gz ROIVYFDJNKCUSR-GFCCVEGCSA-N 1 0 237.347 0.457 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000565936070 388979047 /nfs/dbraw/zinc/97/90/47/388979047.db2.gz ZVSUYKKQYYFOHK-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COC ZINC000566005630 388982553 /nfs/dbraw/zinc/98/25/53/388982553.db2.gz XDHMQYLSIYAUOO-TUAOUCFPSA-N 1 0 229.320 0.565 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@@H](C)C[NH+](C)C)C(C)C ZINC000291314678 533253978 /nfs/dbraw/zinc/25/39/78/533253978.db2.gz QVVKDZKFMBTSTI-WDEREUQCSA-N 1 0 225.336 0.894 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000368497410 533290426 /nfs/dbraw/zinc/29/04/26/533290426.db2.gz YGWKEKQPBUEZRU-JTQLQIEISA-N 1 0 221.304 0.498 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000372184119 533294241 /nfs/dbraw/zinc/29/42/41/533294241.db2.gz GMGGTOQGVFTZOI-SDDRHHMPSA-N 1 0 235.331 0.934 20 30 BCEDRO C#C[C@H](C)[NH2+]CCN1C(=O)c2ccccc2C1=O ZINC000289672742 533298069 /nfs/dbraw/zinc/29/80/69/533298069.db2.gz ZGYDDFOAMZQAJA-JTQLQIEISA-N 1 0 242.278 0.894 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)/C=C\C[NH+](C)C ZINC000491865794 533391246 /nfs/dbraw/zinc/39/12/46/533391246.db2.gz IJMSGHUMFNCOGY-OMMCCPJFSA-N 1 0 209.293 0.865 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)CCC(N)=O ZINC000353175095 533497570 /nfs/dbraw/zinc/49/75/70/533497570.db2.gz RVPINNRDSYNTKU-UHFFFAOYSA-N 1 0 241.335 0.218 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](C)C(=O)OC ZINC000264278540 533510346 /nfs/dbraw/zinc/51/03/46/533510346.db2.gz NEYFCDOUDHSRNS-QMMMGPOBSA-N 1 0 213.281 0.276 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](C)N1CCOCC1 ZINC000261992438 533510573 /nfs/dbraw/zinc/51/05/73/533510573.db2.gz MQMKCSDUXULRJI-NSHDSACASA-N 1 0 240.351 0.188 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[C@@H]1O ZINC000262536825 533511094 /nfs/dbraw/zinc/51/10/94/533511094.db2.gz PXYPOSSNBANHMK-UWVGGRQHSA-N 1 0 211.309 0.628 20 30 BCEDRO C[C@@H](O)CC[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000304308433 533612375 /nfs/dbraw/zinc/61/23/75/533612375.db2.gz KZGPQWZOYGWPQF-GHMZBOCLSA-N 1 0 241.335 0.450 20 30 BCEDRO CC[N@@H+]1CCN(c2nccc(C#N)n2)[C@@H](C)C1 ZINC000295739343 132220904 /nfs/dbraw/zinc/22/09/04/132220904.db2.gz XWNMZHZINJFUPD-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO CC1(C)CN(c2cnc(C#N)cn2)CC[NH2+]1 ZINC000133204453 132237880 /nfs/dbraw/zinc/23/78/80/132237880.db2.gz XWTGINHWHDXIBB-UHFFFAOYSA-N 1 0 217.276 0.536 20 30 BCEDRO C[C@@H]1CN(c2ccc(C#N)nc2)CC[N@@H+]1CCO ZINC000302451542 132263636 /nfs/dbraw/zinc/26/36/36/132263636.db2.gz SHYKEXOXLOZBOI-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO C#CCOCCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000163781613 133568728 /nfs/dbraw/zinc/56/87/28/133568728.db2.gz QZEBTEWKBQFJSQ-TXEJJXNPSA-N 1 0 236.315 0.379 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000331424883 134000143 /nfs/dbraw/zinc/00/01/43/134000143.db2.gz DURQOBYORNQYRT-GDPRMGEGSA-N 1 0 236.319 0.715 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NCCNc1cc[nH+]cc1 ZINC000351963235 134024733 /nfs/dbraw/zinc/02/47/33/134024733.db2.gz GNINULCGGLPGCK-CYBMUJFWSA-N 1 0 246.314 0.971 20 30 BCEDRO N#C[C@@H]1CC[C@H](N2CCN(C3CC3)C(=O)C2)C1 ZINC000335978865 134032533 /nfs/dbraw/zinc/03/25/33/134032533.db2.gz FICJYKNWGBKYPT-PWSUYJOCSA-N 1 0 233.315 0.985 20 30 BCEDRO N#C[C@H]1CC[C@@H](N2CCN(C3CC3)C(=O)C2)C1 ZINC000335978863 134032597 /nfs/dbraw/zinc/03/25/97/134032597.db2.gz FICJYKNWGBKYPT-CMPLNLGQSA-N 1 0 233.315 0.985 20 30 BCEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)CC#N ZINC000336023599 134056346 /nfs/dbraw/zinc/05/63/46/134056346.db2.gz ONYRVBHCMKTZAN-JTQLQIEISA-N 1 0 209.293 0.699 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+](CC)C[C@@H](C)O ZINC000352219140 134109039 /nfs/dbraw/zinc/10/90/39/134109039.db2.gz BUAIRJKWSQLHNR-GFCCVEGCSA-N 1 0 240.347 0.890 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000336198755 134128029 /nfs/dbraw/zinc/12/80/29/134128029.db2.gz AOODASBNYCAWHH-MNOVXSKESA-N 1 0 238.331 0.788 20 30 BCEDRO C[C@H](C#N)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC000336283361 134142121 /nfs/dbraw/zinc/14/21/21/134142121.db2.gz VANYOKFIFIPESM-SNVBAGLBSA-N 1 0 221.304 0.985 20 30 BCEDRO CC#CCN1CCO[C@]2(CCO[C@H]2C)C1 ZINC000336347344 134144343 /nfs/dbraw/zinc/14/43/43/134144343.db2.gz LLAMKPMVQNQTQZ-NWDGAFQWSA-N 1 0 209.289 0.890 20 30 BCEDRO C[C@H](C#N)NC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000336454180 134147825 /nfs/dbraw/zinc/14/78/25/134147825.db2.gz GCXLGTPGYUJTSC-PSASIEDQSA-N 1 0 207.277 0.641 20 30 BCEDRO CN(C(=O)CC#N)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000336539264 134149326 /nfs/dbraw/zinc/14/93/26/134149326.db2.gz SNNNRZWZVMNHBO-SNVBAGLBSA-N 1 0 207.277 0.595 20 30 BCEDRO C[C@H](C(=O)NCC#N)[NH+]1CCCCCC1 ZINC000336631940 134152232 /nfs/dbraw/zinc/15/22/32/134152232.db2.gz VSYDWRVLAMMNGY-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO [NH2+]=C(NCCN1CCOCC1)NCC1CCC1 ZINC000104153064 134159157 /nfs/dbraw/zinc/15/91/57/134159157.db2.gz MXPLSGIENCJGHD-UHFFFAOYSA-N 1 0 240.351 0.023 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000305085262 134159922 /nfs/dbraw/zinc/15/99/22/134159922.db2.gz NTMDFJYMNVROMI-NXEZZACHSA-N 1 0 212.293 0.263 20 30 BCEDRO C[NH+]=C(NCc1ccnc(C)n1)NC(C)C ZINC000113770247 134161431 /nfs/dbraw/zinc/16/14/31/134161431.db2.gz FVXFQQLGLOSWEI-UHFFFAOYSA-N 1 0 221.308 0.858 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CC1(O)CCC1 ZINC000353509933 134163999 /nfs/dbraw/zinc/16/39/99/134163999.db2.gz IECHMMZJTXTLIY-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@H](C#N)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353877583 134165337 /nfs/dbraw/zinc/16/53/37/134165337.db2.gz VPLLEVIEUBSFCT-MWLCHTKSSA-N 1 0 221.304 0.889 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000354341163 134167823 /nfs/dbraw/zinc/16/78/23/134167823.db2.gz SPGQMZUNRRHVFZ-RYUDHWBXSA-N 1 0 241.335 0.355 20 30 BCEDRO C=CCOCC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000354893146 134170539 /nfs/dbraw/zinc/17/05/39/134170539.db2.gz XUMAQMAEGOGTPA-JTQLQIEISA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000355629324 134174181 /nfs/dbraw/zinc/17/41/81/134174181.db2.gz KVPNFJBMUMQWJU-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCOCC(=O)N1CCCC[C@H]1CC[NH3+] ZINC000357374007 134182986 /nfs/dbraw/zinc/18/29/86/134182986.db2.gz LUKIIVFALSEOFT-NSHDSACASA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000359222664 134194235 /nfs/dbraw/zinc/19/42/35/134194235.db2.gz JXHXZRSRGNVJFU-WDEREUQCSA-N 1 0 242.319 0.154 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000359583235 134195866 /nfs/dbraw/zinc/19/58/66/134195866.db2.gz OOMBCCDHAIONCV-NWDGAFQWSA-N 1 0 229.320 0.397 20 30 BCEDRO CC[C@H](C(=O)N(CC#N)CC#N)[NH+](CC)CC ZINC000359791128 134197161 /nfs/dbraw/zinc/19/71/61/134197161.db2.gz ILQKRIXMMGSVHL-LLVKDONJSA-N 1 0 236.319 0.983 20 30 BCEDRO CC(C)[NH+]1CCC(C(=O)N(CC#N)CC#N)CC1 ZINC000360099747 134198524 /nfs/dbraw/zinc/19/85/24/134198524.db2.gz VBMZYJKKXKEGFJ-UHFFFAOYSA-N 1 0 248.330 0.983 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000360180376 134198908 /nfs/dbraw/zinc/19/89/08/134198908.db2.gz ISKDLCOZXNTQDQ-SECBINFHSA-N 1 0 218.322 0.186 20 30 BCEDRO N#CCCCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000360447656 134200594 /nfs/dbraw/zinc/20/05/94/134200594.db2.gz OGOZSFMFWHJBJO-UHFFFAOYSA-N 1 0 239.319 0.519 20 30 BCEDRO N#CCc1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000360492252 134200769 /nfs/dbraw/zinc/20/07/69/134200769.db2.gz RASZCOGTHCXROU-UONOGXRCSA-N 1 0 246.310 0.680 20 30 BCEDRO CO[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000361362957 134204523 /nfs/dbraw/zinc/20/45/23/134204523.db2.gz XAXUCUGXPSWEGA-WDEREUQCSA-N 1 0 239.319 0.468 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H](CO)[C@H](C)C1 ZINC000362095627 134208947 /nfs/dbraw/zinc/20/89/47/134208947.db2.gz LEKSHMYKOWMICT-UTUOFQBUSA-N 1 0 213.321 0.874 20 30 BCEDRO C[NH+](C)C[C@@H]1CCCN1C(=O)CSCC#N ZINC000362511222 134211654 /nfs/dbraw/zinc/21/16/54/134211654.db2.gz FAJXTTRADCPTEQ-JTQLQIEISA-N 1 0 241.360 0.796 20 30 BCEDRO CCN(CCC#N)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362606675 134213021 /nfs/dbraw/zinc/21/30/21/134213021.db2.gz QNRJCEXFKGOHFP-WDEREUQCSA-N 1 0 223.320 0.946 20 30 BCEDRO CC#CCC[N@@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000367489680 134215435 /nfs/dbraw/zinc/21/54/35/134215435.db2.gz NXSUCPYYDFMJNK-RKDXNWHRSA-N 1 0 248.248 0.995 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000367872528 134216431 /nfs/dbraw/zinc/21/64/31/134216431.db2.gz GRBLANZXNRACMQ-JTQLQIEISA-N 1 0 217.334 0.929 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000368313297 134218030 /nfs/dbraw/zinc/21/80/30/134218030.db2.gz UKIIHZGZLXGATB-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[N@H+]1C[C@H](C(=O)OC)C2(CCC2)C1 ZINC000368473425 134218693 /nfs/dbraw/zinc/21/86/93/134218693.db2.gz HIZFKZMDRDPETA-SNVBAGLBSA-N 1 0 207.273 0.895 20 30 BCEDRO C=CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000369253207 134221775 /nfs/dbraw/zinc/22/17/75/134221775.db2.gz RTNCYPZRBFVNIT-NWDGAFQWSA-N 1 0 210.321 0.703 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000300307190 134228329 /nfs/dbraw/zinc/22/83/29/134228329.db2.gz HKKPXZYJJFTNDD-YPMHNXCESA-N 1 0 240.347 0.914 20 30 BCEDRO CC#CCN(C)CCCS(C)(=O)=O ZINC000120530898 134229825 /nfs/dbraw/zinc/22/98/25/134229825.db2.gz RJVXEQKWONTLJD-UHFFFAOYSA-N 1 0 203.307 0.376 20 30 BCEDRO N#CC1(NC(=O)[C@H]2C[NH+]3CCC2CC3)CCC1 ZINC000371976922 134230074 /nfs/dbraw/zinc/23/00/74/134230074.db2.gz ARRCLRMDANALHV-NSHDSACASA-N 1 0 233.315 0.891 20 30 BCEDRO N#C[C@H]1CN(C(=O)[C@H]2C[NH+]3CCC2CC3)CCO1 ZINC000371977294 134230117 /nfs/dbraw/zinc/23/01/17/134230117.db2.gz CPEQCMPSKXVUQK-RYUDHWBXSA-N 1 0 249.314 0.079 20 30 BCEDRO C#CCCN1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000372543389 134231918 /nfs/dbraw/zinc/23/19/18/134231918.db2.gz DMODXYNVHINTMQ-UHFFFAOYSA-N 1 0 224.348 0.788 20 30 BCEDRO C#CC[N@H+]1CC[C@@]2(C1)CCCN(C)C2=O ZINC000372557658 134232056 /nfs/dbraw/zinc/23/20/56/134232056.db2.gz OBWMYDQMBMGEPT-GFCCVEGCSA-N 1 0 206.289 0.564 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000372616699 134232398 /nfs/dbraw/zinc/23/23/98/134232398.db2.gz FHPDLTOXBRXSNW-LBPRGKRZSA-N 1 0 222.288 0.974 20 30 BCEDRO C#CCCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000372816507 134232739 /nfs/dbraw/zinc/23/27/39/134232739.db2.gz BCRVJMRUXIUIIR-LLVKDONJSA-N 1 0 246.314 0.561 20 30 BCEDRO CNC(NCc1ccc(-n2ccnc2)nc1)=[NH+]C ZINC000303265946 134233249 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C=CCNC(=O)[C@@H](C)N1CCC[C@@H]([NH3+])C1 ZINC000217526084 134248842 /nfs/dbraw/zinc/24/88/42/134248842.db2.gz PQGFPCQCZKRFBD-NXEZZACHSA-N 1 0 211.309 0.100 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000218109186 134251374 /nfs/dbraw/zinc/25/13/74/134251374.db2.gz PQBFFZGQIWYNRO-IUCAKERBSA-N 1 0 245.348 0.301 20 30 BCEDRO CN(C)C(=[NH+]C[C@H]1CCCOC1)N(C)C ZINC000170908633 134254861 /nfs/dbraw/zinc/25/48/61/134254861.db2.gz YCNOSGWQKNBGNO-SNVBAGLBSA-N 1 0 213.325 0.892 20 30 BCEDRO C[C@@H]([N@H+](C)CC(=O)NCC#N)C1(C)CC1 ZINC000177253746 134296741 /nfs/dbraw/zinc/29/67/41/134296741.db2.gz KXGDTUUHSUEFKH-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCO[C@H](COC)C1 ZINC000177544558 134298873 /nfs/dbraw/zinc/29/88/73/134298873.db2.gz ZORQUELZKPIJKX-NEPJUHHUSA-N 1 0 229.320 0.661 20 30 BCEDRO CN/C(=[NH+]/C)N1CC[C@H](C(=O)OC(C)(C)C)C1 ZINC000179111691 134317607 /nfs/dbraw/zinc/31/76/07/134317607.db2.gz PTORQZUPPLWQPB-VIFPVBQESA-N 1 0 241.335 0.855 20 30 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CCNC(=O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189581122 134548350 /nfs/dbraw/zinc/54/83/50/134548350.db2.gz YQBFSJPJYRZFLR-UHFFFAOYSA-N 1 0 220.276 0.122 20 30 BCEDRO C[C@@H](CO)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189595111 134548515 /nfs/dbraw/zinc/54/85/15/134548515.db2.gz JXKBLGBYSVVAHH-SECBINFHSA-N 1 0 207.277 0.615 20 30 BCEDRO C=C(Cl)CNC(=O)C[C@H](C[NH3+])OC ZINC000232125134 134548740 /nfs/dbraw/zinc/54/87/40/134548740.db2.gz AVADOVGDHPNCHM-SSDOTTSWSA-N 1 0 206.673 0.219 20 30 BCEDRO C=CCOCC(=O)NC[C@H](C)[NH2+]CC ZINC000336729961 134605050 /nfs/dbraw/zinc/60/50/50/134605050.db2.gz JMEMXPRGQFUTTA-VIFPVBQESA-N 1 0 200.282 0.303 20 30 BCEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)NCCCOC ZINC000121472453 134643026 /nfs/dbraw/zinc/64/30/26/134643026.db2.gz GPKRYNYFQHHBHC-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C[C@@H](C#N)NC(=O)C[NH+]1CCC(C)CC1 ZINC000135324545 134741836 /nfs/dbraw/zinc/74/18/36/134741836.db2.gz FJCKGUIQTHHXQR-JTQLQIEISA-N 1 0 209.293 0.747 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@H](O)C(F)F)cc1C#N ZINC000236072891 134819176 /nfs/dbraw/zinc/81/91/76/134819176.db2.gz QYGREDILJXTPBI-SECBINFHSA-N 1 0 229.230 0.612 20 30 BCEDRO C=CCCC(=O)NCCN1CC[NH+](CC)CC1 ZINC000102488127 134836194 /nfs/dbraw/zinc/83/61/94/134836194.db2.gz NVEYFKKPHGGJHS-UHFFFAOYSA-N 1 0 239.363 0.706 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H](C)C[NH3+] ZINC000336657785 134890392 /nfs/dbraw/zinc/89/03/92/134890392.db2.gz PVHTXVADCVTALV-MRVPVSSYSA-N 1 0 206.311 0.077 20 30 BCEDRO CC[C@H](CO)NC(=[NH2+])Nc1ccccn1 ZINC000179566977 134910971 /nfs/dbraw/zinc/91/09/71/134910971.db2.gz OPQJDLWGMSJJPP-MRVPVSSYSA-N 1 0 208.265 0.579 20 30 BCEDRO CN(C(=[NH2+])N[C@@H]1C[C@H](O)C1(C)C)C1CC1 ZINC000186874883 134936677 /nfs/dbraw/zinc/93/66/77/134936677.db2.gz BXIURJHUQJEHOQ-BDAKNGLRSA-N 1 0 211.309 0.555 20 30 BCEDRO C=CCN1CC[C@H]([NH+]2CCC(OC)CC2)C1=O ZINC000337132249 135000095 /nfs/dbraw/zinc/00/00/95/135000095.db2.gz LDTWNRBHMHNTDL-LBPRGKRZSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](CCO)CC2CC2)C1=O ZINC000337124354 135000841 /nfs/dbraw/zinc/00/08/41/135000841.db2.gz DDRTYKPKBCOSAF-GFCCVEGCSA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CCC)CCO)C1=O ZINC000337143562 135001298 /nfs/dbraw/zinc/00/12/98/135001298.db2.gz VMJFAPPQZCMMMN-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](OC)C2)C1=O ZINC000337136969 135001543 /nfs/dbraw/zinc/00/15/43/135001543.db2.gz NPSNZWZXNOTUEG-RYUDHWBXSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](OC)C2)C1=O ZINC000337136968 135001992 /nfs/dbraw/zinc/00/19/92/135001992.db2.gz NPSNZWZXNOTUEG-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](CCO)CCCC)C1=O ZINC000337141851 135002148 /nfs/dbraw/zinc/00/21/48/135002148.db2.gz SSEHCVVYNKGLHI-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H](COC)C2CC2)C1=O ZINC000337172731 135003061 /nfs/dbraw/zinc/00/30/61/135003061.db2.gz FRUVELLBOSQTIA-RYUDHWBXSA-N 1 0 238.331 0.788 20 30 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1 0 240.347 0.770 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)[C@@H]2CCOC2)C1=O ZINC000337210235 135006864 /nfs/dbraw/zinc/00/68/64/135006864.db2.gz TUNGRGLSDUMPLM-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)CC2(O)CCC2)C1=O ZINC000337206299 135006902 /nfs/dbraw/zinc/00/69/02/135006902.db2.gz MFGLDYSNZGMEJX-LLVKDONJSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@H]2CO)C1=O ZINC000337210449 135007186 /nfs/dbraw/zinc/00/71/86/135007186.db2.gz UCSZVWYHFAQGSF-SDDRHHMPSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)CC2(CO)CC2)C1=O ZINC000337207217 135007241 /nfs/dbraw/zinc/00/72/41/135007241.db2.gz OBMBNQYCPTXMEG-NSHDSACASA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)[C@H](CO)C2)C1=O ZINC000337247862 135008436 /nfs/dbraw/zinc/00/84/36/135008436.db2.gz PFQAPCQZYWHJGY-SRVKXCTJSA-N 1 0 238.331 0.334 20 30 BCEDRO C[C@@H](C#N)N1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248444435 135009578 /nfs/dbraw/zinc/00/95/78/135009578.db2.gz 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/nfs/dbraw/zinc/06/35/28/135063528.db2.gz ASNLFBQQVICKPE-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC[N@@H+]1CC[C@@H]2OCCN(CC#N)[C@H]2C1 ZINC000339384261 135072999 /nfs/dbraw/zinc/07/29/99/135072999.db2.gz GBRAOUYEYKFYJJ-QWRGUYRKSA-N 1 0 209.293 0.305 20 30 BCEDRO C=CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000339446464 135073645 /nfs/dbraw/zinc/07/36/45/135073645.db2.gz UTWJLAFBXSOKPR-VIFPVBQESA-N 1 0 209.293 0.708 20 30 BCEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@@H]2[NH2+]CCO)O1 ZINC000252743146 135106486 /nfs/dbraw/zinc/10/64/86/135106486.db2.gz OWHPWVVFSAXNQN-WYUUTHIRSA-N 1 0 224.304 0.808 20 30 BCEDRO N#CC[C@@H]1C[C@H]2[C@H](CCC[C@H]2[NH2+]CCO)O1 ZINC000252743145 135106686 /nfs/dbraw/zinc/10/66/86/135106686.db2.gz OWHPWVVFSAXNQN-KKOKHZNYSA-N 1 0 224.304 0.808 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2cccc(C#N)c2)N1 ZINC000261573402 135109785 /nfs/dbraw/zinc/10/97/85/135109785.db2.gz ITZOVMGQAJOIFT-VIFPVBQESA-N 1 0 214.272 0.996 20 30 BCEDRO [NH2+]=C(NCCNc1ccccn1)NC1CC1 ZINC000261778789 135110948 /nfs/dbraw/zinc/11/09/48/135110948.db2.gz NSAFESUIFPRLQH-UHFFFAOYSA-N 1 0 219.292 0.560 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2cccc(C(N)=O)c2)N1 ZINC000261858100 135112425 /nfs/dbraw/zinc/11/24/25/135112425.db2.gz AAQZJRVFJVUSMT-QMMMGPOBSA-N 1 0 232.287 0.223 20 30 BCEDRO CN(C)C(=[NH2+])NCc1cn2c(n1)CCCC2 ZINC000261987682 135113061 /nfs/dbraw/zinc/11/30/61/135113061.db2.gz KNCWKZADGCAZRR-UHFFFAOYSA-N 1 0 221.308 0.596 20 30 BCEDRO CCn1cnnc1C[NH+]=C(N(C)C)N(C)C ZINC000262014422 135114404 /nfs/dbraw/zinc/11/44/04/135114404.db2.gz VOLDMZOZHHWSOU-UHFFFAOYSA-N 1 0 224.312 0.277 20 30 BCEDRO CN/C(=[NH+]/C)N1CC[C@@H](Oc2ccccn2)C1 ZINC000262007640 135114431 /nfs/dbraw/zinc/11/44/31/135114431.db2.gz VZGRBRAQCBPXQG-SNVBAGLBSA-N 1 0 234.303 0.740 20 30 BCEDRO C[NH+]=C(NCCn1cncn1)NCc1ccco1 ZINC000262091043 135114444 /nfs/dbraw/zinc/11/44/44/135114444.db2.gz HBNORTPKVTZDPB-UHFFFAOYSA-N 1 0 248.290 0.236 20 30 BCEDRO Cc1ccnc(CNC2=[NH+]CCN2C)c1 ZINC000262155826 135115203 /nfs/dbraw/zinc/11/52/03/135115203.db2.gz GJOMMCSXXSBXDB-UHFFFAOYSA-N 1 0 204.277 0.781 20 30 BCEDRO [NH2+]=C(NCc1ccco1)N1CCOCC1 ZINC000262188331 135116562 /nfs/dbraw/zinc/11/65/62/135116562.db2.gz CBRCJGRODKSVLF-UHFFFAOYSA-N 1 0 209.249 0.427 20 30 BCEDRO CN(C(=[NH2+])NCCn1ccnc1)C1CC1 ZINC000262228925 135116672 /nfs/dbraw/zinc/11/66/72/135116672.db2.gz LVLVMTDAGPYUSZ-UHFFFAOYSA-N 1 0 207.281 0.292 20 30 BCEDRO CN(C(=[NH2+])NCc1ccccn1)C1CC1 ZINC000262257621 135117115 /nfs/dbraw/zinc/11/71/15/135117115.db2.gz QOTLRQSPKVJUHI-UHFFFAOYSA-N 1 0 204.277 0.991 20 30 BCEDRO C[NH+]=C(NC[C@@H](O)c1ccc(C)o1)NC1CC1 ZINC000262390879 135117606 /nfs/dbraw/zinc/11/76/06/135117606.db2.gz RFJXTMJSCZCABI-SNVBAGLBSA-N 1 0 237.303 0.949 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2ncccc2N(C)C)N1 ZINC000262398076 135117827 /nfs/dbraw/zinc/11/78/27/135117827.db2.gz UCUWCQZWMAEAFJ-VIFPVBQESA-N 1 0 233.319 0.585 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2noc3c2CCCC3)N1 ZINC000262308440 135117888 /nfs/dbraw/zinc/11/78/88/135117888.db2.gz MWDZFINNFQAVGD-QMMMGPOBSA-N 1 0 234.303 0.991 20 30 BCEDRO C[NH+]=C(NCc1noc(C)n1)NC1CCCC1 ZINC000262363663 135117948 /nfs/dbraw/zinc/11/79/48/135117948.db2.gz HIIVXLCANIHFHA-UHFFFAOYSA-N 1 0 237.307 0.986 20 30 BCEDRO CC1CCN(C(=[NH2+])NCc2cnnn2C)CC1 ZINC000262302458 135118019 /nfs/dbraw/zinc/11/80/19/135118019.db2.gz KZILVKLHDDFYMU-UHFFFAOYSA-N 1 0 236.323 0.362 20 30 BCEDRO C[NH+]=C(NC[C@H](O)c1ccc(C)o1)NC1CC1 ZINC000262390876 135118186 /nfs/dbraw/zinc/11/81/86/135118186.db2.gz RFJXTMJSCZCABI-JTQLQIEISA-N 1 0 237.303 0.949 20 30 BCEDRO CN/C(=[NH+]/C)N1CC[C@@H](c2cnn(C)c2)C1 ZINC000262498690 135118999 /nfs/dbraw/zinc/11/89/99/135118999.db2.gz XMIVISIPJJLWRR-SECBINFHSA-N 1 0 221.308 0.415 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H](c2ccco2)N(C)C)N1 ZINC000262479856 135119024 /nfs/dbraw/zinc/11/90/24/135119024.db2.gz CVSHZJDEVBYIDZ-VHSXEESVSA-N 1 0 236.319 0.820 20 30 BCEDRO C[NH+]=C(NCCn1cc(C)cn1)NC(C)C ZINC000262421492 135119124 /nfs/dbraw/zinc/11/91/24/135119124.db2.gz KWSWYQGUMWGNRH-UHFFFAOYSA-N 1 0 223.324 0.765 20 30 BCEDRO C=CCNC(=[NH+]C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262422294 135119141 /nfs/dbraw/zinc/11/91/41/135119141.db2.gz BNBBVJINPJFUQS-NSHDSACASA-N 1 0 247.346 0.971 20 30 BCEDRO [NH2+]=C(N[C@H]1COc2ccccc21)N1CCOCC1 ZINC000262632868 135119532 /nfs/dbraw/zinc/11/95/32/135119532.db2.gz FQMAUPUMIJCMTB-NSHDSACASA-N 1 0 247.298 0.767 20 30 BCEDRO Cc1cccc([C@H](O)CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262630312 135119767 /nfs/dbraw/zinc/11/97/67/135119767.db2.gz FPHFYBXARCWGJO-ZYHUDNBSSA-N 1 0 233.315 0.966 20 30 BCEDRO C=CCNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262528917 135119828 /nfs/dbraw/zinc/11/98/28/135119828.db2.gz MLMWDLBSZNZTAD-IVZWLZJFSA-N 1 0 223.320 0.890 20 30 BCEDRO Cn1cccc1CNC(=[NH2+])N1CCOCC1 ZINC000262551972 135119850 /nfs/dbraw/zinc/11/98/50/135119850.db2.gz YVEWYIQYJJAGDG-UHFFFAOYSA-N 1 0 222.292 0.172 20 30 BCEDRO COc1ccncc1CNC1=[NH+]C[C@H](C)N1 ZINC000262637166 135120186 /nfs/dbraw/zinc/12/01/86/135120186.db2.gz ICOSCLFFMLBQBZ-QMMMGPOBSA-N 1 0 220.276 0.528 20 30 BCEDRO CN(C)[C@H](CNC1=[NH+]CCN1C)c1ccco1 ZINC000262669498 135120268 /nfs/dbraw/zinc/12/02/68/135120268.db2.gz QIIOFCCYPGQDPS-SNVBAGLBSA-N 1 0 236.319 0.773 20 30 BCEDRO Cc1cccc(CCNC2=[NH+]C[C@@H](C)N2)n1 ZINC000262644678 135120321 /nfs/dbraw/zinc/12/03/21/135120321.db2.gz ITYUCWULHWOTLG-SNVBAGLBSA-N 1 0 218.304 0.870 20 30 BCEDRO CN1CC[NH+]=C1NC[C@H](O)c1ccc(F)cc1 ZINC000262648812 135120460 /nfs/dbraw/zinc/12/04/60/135120460.db2.gz JVJSFTKBDAMETN-NSHDSACASA-N 1 0 237.278 0.750 20 30 BCEDRO CN1CC[NH+]=C1NCc1ncnn1C(C)(C)C ZINC000262648813 135120593 /nfs/dbraw/zinc/12/05/93/135120593.db2.gz JVLJEAADSXYPGV-UHFFFAOYSA-N 1 0 236.323 0.424 20 30 BCEDRO COc1cccc([C@H](O)CNC2=[NH+]CCN2C)c1 ZINC000262646736 135120608 /nfs/dbraw/zinc/12/06/08/135120608.db2.gz JIIJZTBTFQZXGP-GFCCVEGCSA-N 1 0 249.314 0.620 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@H](O)c1cccc(F)c1 ZINC000262678985 135121043 /nfs/dbraw/zinc/12/10/43/135121043.db2.gz VCLCODXUSORVRS-LLVKDONJSA-N 1 0 237.278 0.750 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@](C)(O)c2ccsc2)N1 ZINC000262679982 135121117 /nfs/dbraw/zinc/12/11/17/135121117.db2.gz VQNOGNZZQNFOLS-KWQFWETISA-N 1 0 239.344 0.893 20 30 BCEDRO Cc1cnccc1CCNC1=[NH+]C[C@@H](C)N1 ZINC000262676688 135121166 /nfs/dbraw/zinc/12/11/66/135121166.db2.gz UFVOGVKULDIWLW-SNVBAGLBSA-N 1 0 218.304 0.870 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H](O)c2ccccc2F)N1 ZINC000262672455 135121205 /nfs/dbraw/zinc/12/12/05/135121205.db2.gz RSQLRFLUUARKQX-LDYMZIIASA-N 1 0 237.278 0.796 20 30 BCEDRO C=CCNC(NCC1(CO)CCOCC1)=[NH+]C ZINC000262752376 135121739 /nfs/dbraw/zinc/12/17/39/135121739.db2.gz ACFLFCOPESQTJT-UHFFFAOYSA-N 1 0 241.335 0.127 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1snnc1C ZINC000262718755 135121759 /nfs/dbraw/zinc/12/17/59/135121759.db2.gz UDSOGLAUKQQGHQ-UHFFFAOYSA-N 1 0 225.321 0.827 20 30 BCEDRO CSc1nnc(CNC(=[NH2+])NC2CC2)s1 ZINC000262827575 135122768 /nfs/dbraw/zinc/12/27/68/135122768.db2.gz YTTILCDVFUSIDE-UHFFFAOYSA-N 1 0 243.361 0.827 20 30 BCEDRO CC[C@@H](C)NC(NCCn1cncn1)=[NH+]C ZINC000263108219 135124178 /nfs/dbraw/zinc/12/41/78/135124178.db2.gz DBTKMXBNSOOYGK-SECBINFHSA-N 1 0 224.312 0.242 20 30 BCEDRO CCCNC(=[NH2+])NCCNC(=O)c1ccco1 ZINC000264055046 135130107 /nfs/dbraw/zinc/13/01/07/135130107.db2.gz AIVHAFHTQKOLRX-UHFFFAOYSA-N 1 0 238.291 0.324 20 30 BCEDRO CCOCCNC(NCc1ccco1)=[NH+]C ZINC000264027656 135130552 /nfs/dbraw/zinc/13/05/52/135130552.db2.gz BVGCUDGFKGDPSV-UHFFFAOYSA-N 1 0 225.292 0.981 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](c1ccccc1)N(C)C ZINC000264058917 135130896 /nfs/dbraw/zinc/13/08/96/135130896.db2.gz BXQVZFFVZHDDDO-NSHDSACASA-N 1 0 220.320 0.823 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@H](O)c1ccccc1F ZINC000264071810 135131265 /nfs/dbraw/zinc/13/12/65/135131265.db2.gz DLNOHHYBBGHWAP-SNVBAGLBSA-N 1 0 225.267 0.735 20 30 BCEDRO CNC(NC[C@H](O)c1cccc(F)c1)=[NH+]C ZINC000264071869 135131267 /nfs/dbraw/zinc/13/12/67/135131267.db2.gz DMJNIHZVQLHTMI-JTQLQIEISA-N 1 0 225.267 0.654 20 30 BCEDRO [NH2+]=C(NCc1ccccc1O)N1CCOCC1 ZINC000264062056 135131317 /nfs/dbraw/zinc/13/13/17/135131317.db2.gz CWZGQEUGDBJXSY-UHFFFAOYSA-N 1 0 235.287 0.539 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1c[nH]nc1C ZINC000264066304 135131362 /nfs/dbraw/zinc/13/13/62/135131362.db2.gz BHCTZZMIDRAGCZ-SSDOTTSWSA-N 1 0 209.297 0.921 20 30 BCEDRO Cn1nc2c(cc1=O)C[N@@H+](CCCC#N)CC2 ZINC000078621070 135131451 /nfs/dbraw/zinc/13/14/51/135131451.db2.gz OIKRAFCUESEFKB-UHFFFAOYSA-N 1 0 232.287 0.442 20 30 BCEDRO CNC(=[NH2+])NC[C@H](c1ccsc1)N(C)C ZINC000264074433 135131553 /nfs/dbraw/zinc/13/15/53/135131553.db2.gz FEDKSWSCCFLCHW-SECBINFHSA-N 1 0 226.349 0.885 20 30 BCEDRO CNC(=[NH2+])NCCNc1ccccc1[N+](=O)[O-] ZINC000264083146 135131782 /nfs/dbraw/zinc/13/17/82/135131782.db2.gz IWVNVRDCAMONKH-UHFFFAOYSA-N 1 0 237.263 0.541 20 30 BCEDRO C[NH+]=C(NCCCn1ccnc1C)NC1CC1 ZINC000264074849 135131826 /nfs/dbraw/zinc/13/18/26/135131826.db2.gz SORCURQKTNGPHJ-UHFFFAOYSA-N 1 0 235.335 0.909 20 30 BCEDRO C[C@H](CNC(=[NH2+])Nc1ccccn1)N(C)C ZINC000264079698 135131854 /nfs/dbraw/zinc/13/18/54/135131854.db2.gz GVUVVAZPULKZQA-SECBINFHSA-N 1 0 221.308 0.758 20 30 BCEDRO [NH2+]=C(NCc1cccc(O)c1)N1CCOCC1 ZINC000264085716 135132379 /nfs/dbraw/zinc/13/23/79/135132379.db2.gz JQJGMMNLVAGRKR-UHFFFAOYSA-N 1 0 235.287 0.539 20 30 BCEDRO CCCCNC(=[NH2+])NCCn1ccnc1C ZINC000264103565 135132994 /nfs/dbraw/zinc/13/29/94/135132994.db2.gz OVJACIHLTDSXFH-UHFFFAOYSA-N 1 0 223.324 0.896 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)c1ccc(F)cc1 ZINC000264101529 135133135 /nfs/dbraw/zinc/13/31/35/135133135.db2.gz OERRJTWBNDIEJP-VIFPVBQESA-N 1 0 211.240 0.393 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(N2CCCC2)nc1 ZINC000264102043 135133245 /nfs/dbraw/zinc/13/32/45/135133245.db2.gz NAJNZBLRHOUYAJ-UHFFFAOYSA-N 1 0 233.319 0.716 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@H](O)c1ccccc1 ZINC000264102180 135133265 /nfs/dbraw/zinc/13/32/65/135133265.db2.gz NDQXMJSWDFASHP-JTQLQIEISA-N 1 0 207.277 0.596 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)c1ccc(OC)cc1 ZINC000264115644 135133618 /nfs/dbraw/zinc/13/36/18/135133618.db2.gz SOKIUAFAVXCLTP-SNVBAGLBSA-N 1 0 223.276 0.263 20 30 BCEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)CC#N ZINC000258752761 135134051 /nfs/dbraw/zinc/13/40/51/135134051.db2.gz URDLTYUZAQPIIZ-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)c1ccccc1F ZINC000264121674 135134240 /nfs/dbraw/zinc/13/42/40/135134240.db2.gz VFAJVORNQOCXQN-VIFPVBQESA-N 1 0 211.240 0.393 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(CO)c(F)c1 ZINC000264121696 135134449 /nfs/dbraw/zinc/13/44/49/135134449.db2.gz VFMNVCDFKHFVFW-UHFFFAOYSA-N 1 0 211.240 0.352 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1c[nH]nc1C ZINC000264132750 135134912 /nfs/dbraw/zinc/13/49/12/135134912.db2.gz YLHXEFPOKQJZRP-ZETCQYMHSA-N 1 0 225.296 0.157 20 30 BCEDRO Cc1noc(CC[NH+]=C(N(C)C)N(C)C)n1 ZINC000264136827 135135023 /nfs/dbraw/zinc/13/50/23/135135023.db2.gz ZZHIVNBFGNUQLP-UHFFFAOYSA-N 1 0 225.296 0.400 20 30 BCEDRO NC(=[NH2+])NCc1ccc(N2CCOCC2)cc1 ZINC000264132028 135135163 /nfs/dbraw/zinc/13/51/63/135135163.db2.gz YGFIIMPLBZFAHZ-UHFFFAOYSA-N 1 0 234.303 0.297 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](O)Cc1ccccc1 ZINC000264264310 135137135 /nfs/dbraw/zinc/13/71/35/135137135.db2.gz KCQMROBPSOXKLG-LBPRGKRZSA-N 1 0 233.315 0.680 20 30 BCEDRO C[NH+]1CCC(C(=O)NCCCC#N)CC1 ZINC000259987174 135146297 /nfs/dbraw/zinc/14/62/97/135146297.db2.gz MWDIFOXHRLOPJJ-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO CNC(NC[C@@](C)(O)c1cccs1)=[NH+]C ZINC000265793956 135146389 /nfs/dbraw/zinc/14/63/89/135146389.db2.gz OSOVSXCPZYFUSF-SNVBAGLBSA-N 1 0 227.333 0.750 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCOCC1CC1 ZINC000267430456 135153870 /nfs/dbraw/zinc/15/38/70/135153870.db2.gz MMJGECOFGWFGSO-UHFFFAOYSA-N 1 0 211.309 0.893 20 30 BCEDRO Cc1nc(CNC(=[NH2+])NCCC(C)C)no1 ZINC000267405106 135154194 /nfs/dbraw/zinc/15/41/94/135154194.db2.gz GTPKCSGLUHGSQD-UHFFFAOYSA-N 1 0 225.296 0.828 20 30 BCEDRO C=CCNC(=[NH2+])NCC[S@@](=O)C(C)(C)C ZINC000267430391 135154228 /nfs/dbraw/zinc/15/42/28/135154228.db2.gz MKYZKHCDERPUEB-OAHLLOKOSA-N 1 0 231.365 0.624 20 30 BCEDRO CNC(NC[C@H](O)c1cccc(OC)c1)=[NH+]C ZINC000267457937 135154684 /nfs/dbraw/zinc/15/46/84/135154684.db2.gz UEWVITWPHBXFMZ-NSHDSACASA-N 1 0 237.303 0.523 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)c1cccc(OC)c1 ZINC000267454584 135155121 /nfs/dbraw/zinc/15/51/21/135155121.db2.gz SNVICCWXPJCPDO-SNVBAGLBSA-N 1 0 223.276 0.263 20 30 BCEDRO COCCNC(=[NH2+])NCC#Cc1ccccc1 ZINC000267442206 135155195 /nfs/dbraw/zinc/15/51/95/135155195.db2.gz PERTTZZMWZMPEE-UHFFFAOYSA-N 1 0 231.299 0.589 20 30 BCEDRO C=C(Cl)CNC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000261529652 135156903 /nfs/dbraw/zinc/15/69/03/135156903.db2.gz BGIJISYLVNVOKO-SNVBAGLBSA-N 1 0 232.711 0.481 20 30 BCEDRO Cc1ncsc1CNC1=[NH+]CCN1C ZINC000261530197 135157777 /nfs/dbraw/zinc/15/77/77/135157777.db2.gz XZMBULAEHWYWKB-UHFFFAOYSA-N 1 0 210.306 0.843 20 30 BCEDRO CNC(=[NH2+])NCCOc1ncccc1Cl ZINC000268384537 135159272 /nfs/dbraw/zinc/15/92/72/135159272.db2.gz CKIMDWINPPGFIR-UHFFFAOYSA-N 1 0 228.683 0.648 20 30 BCEDRO Cc1nc(CCNC2=[NH+]CCN2C)cs1 ZINC000261531756 135160773 /nfs/dbraw/zinc/16/07/73/135160773.db2.gz HTVWXRNDTPPNKS-UHFFFAOYSA-N 1 0 224.333 0.885 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H](C)[NH2+]CC ZINC000261532167 135162842 /nfs/dbraw/zinc/16/28/42/135162842.db2.gz JMAPDKAQTFJZIJ-SECBINFHSA-N 1 0 220.338 0.480 20 30 BCEDRO Cc1noc(C)c1CNC1=[NH+]C[C@@H](C)N1 ZINC000261534044 135165849 /nfs/dbraw/zinc/16/58/49/135165849.db2.gz LPNVODDETSREJR-ZCFIWIBFSA-N 1 0 208.265 0.729 20 30 BCEDRO C=CCNC(=[NH2+])NCC(CC)(CC)CO ZINC000269949554 135167776 /nfs/dbraw/zinc/16/77/76/135167776.db2.gz GSXNNXXTONFBMQ-UHFFFAOYSA-N 1 0 213.325 0.875 20 30 BCEDRO CCc1nn(C)c(CC)c1CNC(=[NH2+])NC ZINC000269941739 135168164 /nfs/dbraw/zinc/16/81/64/135168164.db2.gz GQSNACKTYYQSMU-UHFFFAOYSA-N 1 0 223.324 0.579 20 30 BCEDRO C=CCCOCCNC(=[NH2+])NCCOC ZINC000270129741 135169664 /nfs/dbraw/zinc/16/96/64/135169664.db2.gz NKPVFSZDBBQJBO-UHFFFAOYSA-N 1 0 215.297 0.130 20 30 BCEDRO COCCC1(CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000261535609 135170472 /nfs/dbraw/zinc/17/04/72/135170472.db2.gz OTRFNWCIPWEGOO-VIFPVBQESA-N 1 0 211.309 0.740 20 30 BCEDRO CCN(CCNC1=[NH+]C[C@@H](C)N1)C1CC1 ZINC000261537633 135174750 /nfs/dbraw/zinc/17/47/50/135174750.db2.gz VWRMSKWYKSOKRH-SECBINFHSA-N 1 0 210.325 0.408 20 30 BCEDRO CC#CC[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000293193743 135179377 /nfs/dbraw/zinc/17/93/77/135179377.db2.gz QIABSNQPIUEJKZ-UHFFFAOYSA-N 1 0 222.248 0.746 20 30 BCEDRO C=CCOCC[N@@H+](C)CCNC(=O)C(C)C ZINC000293832671 135183540 /nfs/dbraw/zinc/18/35/40/135183540.db2.gz PZEIWWQXTJDBLR-UHFFFAOYSA-N 1 0 228.336 0.893 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@H]1Cc2ccccc2O1 ZINC000261543644 135184999 /nfs/dbraw/zinc/18/49/99/135184999.db2.gz DDCCQJMDSANGIS-NSHDSACASA-N 1 0 231.299 0.881 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000261545217 135186708 /nfs/dbraw/zinc/18/67/08/135186708.db2.gz JQPRATPYFOENEJ-VHSXEESVSA-N 1 0 212.293 0.303 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2cccc3c2OCO3)N1 ZINC000261549559 135188168 /nfs/dbraw/zinc/18/81/68/135188168.db2.gz KQCCWDQNWIPSCH-MRVPVSSYSA-N 1 0 233.271 0.853 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ncc(C)o1 ZINC000296533806 135191703 /nfs/dbraw/zinc/19/17/03/135191703.db2.gz IKPADJMYWFNWBY-UHFFFAOYSA-N 1 0 235.287 0.668 20 30 BCEDRO C[NH+](C)CC(=O)N(CCC#N)CCC#N ZINC000299096887 135201936 /nfs/dbraw/zinc/20/19/36/135201936.db2.gz PMSPVJDVLNZZRU-UHFFFAOYSA-N 1 0 208.265 0.204 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000261568366 135210554 /nfs/dbraw/zinc/21/05/54/135210554.db2.gz FLIFVCUWRPJSJM-ZJUUUORDSA-N 1 0 212.293 0.385 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000121135142 135221668 /nfs/dbraw/zinc/22/16/68/135221668.db2.gz SDCWFMUECGIMKG-JTQLQIEISA-N 1 0 240.263 0.270 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCc1ccncc1 ZINC000121519368 135224968 /nfs/dbraw/zinc/22/49/68/135224968.db2.gz TYQSWQQGWYTBIP-LBPRGKRZSA-N 1 0 245.326 0.694 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000261585819 135226861 /nfs/dbraw/zinc/22/68/61/135226861.db2.gz QQMKMLFVHOKBGV-JQWIXIFHSA-N 1 0 225.336 0.348 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000340921309 135232521 /nfs/dbraw/zinc/23/25/21/135232521.db2.gz KYBPSZKKTGUCAZ-QWRGUYRKSA-N 1 0 239.319 0.204 20 30 BCEDRO Cc1ccc(CNC(=[NH2+])NC[C@H]2CCCO2)cn1 ZINC000261689540 135245804 /nfs/dbraw/zinc/24/58/04/135245804.db2.gz BAXGFWHLJPSDRN-GFCCVEGCSA-N 1 0 248.330 0.973 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000261717838 135247649 /nfs/dbraw/zinc/24/76/49/135247649.db2.gz GSTZLDAHTSLFNJ-TXEJJXNPSA-N 1 0 238.331 0.647 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1CCCOC1 ZINC000261736500 135249231 /nfs/dbraw/zinc/24/92/31/135249231.db2.gz HXLXBPVHJLYAPF-MNOVXSKESA-N 1 0 241.335 0.496 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C ZINC000342215627 135252720 /nfs/dbraw/zinc/25/27/20/135252720.db2.gz SXANMUBOTIWRHS-WDEREUQCSA-N 1 0 228.336 0.627 20 30 BCEDRO C[C@H]1CCC[C@@]1(O)CNC(=[NH2+])NC1CC1 ZINC000261803475 135254828 /nfs/dbraw/zinc/25/48/28/135254828.db2.gz AIUHZVMLARCSRA-GZMMTYOYSA-N 1 0 211.309 0.604 20 30 BCEDRO [NH2+]=C(NCCC1(O)CCC1)NCC1CCC1 ZINC000261889575 135260029 /nfs/dbraw/zinc/26/00/29/135260029.db2.gz STPHAMJBKJJBJT-UHFFFAOYSA-N 1 0 225.336 0.996 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1noc(C2CC2)n1 ZINC000261890987 135260980 /nfs/dbraw/zinc/26/09/80/135260980.db2.gz BXJUFUBCNUIRIP-UHFFFAOYSA-N 1 0 235.291 0.927 20 30 BCEDRO C[C@@H]1COCCN1CCNC(=[NH2+])NC(C)(C)C ZINC000261964168 135267216 /nfs/dbraw/zinc/26/72/16/135267216.db2.gz ALIOKDQTNBKMIP-SNVBAGLBSA-N 1 0 242.367 0.410 20 30 BCEDRO C[C@@H]1C[C@H](CNC(=[NH2+])NC2CC2)CCO1 ZINC000261979324 135268798 /nfs/dbraw/zinc/26/87/98/135268798.db2.gz HKUJVIANCLMULH-RKDXNWHRSA-N 1 0 211.309 0.868 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCC(C)(C)C(N)=O)C1 ZINC000261976957 135268934 /nfs/dbraw/zinc/26/89/34/135268934.db2.gz GJURIGNKZHJEEK-SECBINFHSA-N 1 0 240.351 0.545 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCN1CCOC[C@@H]1C ZINC000262004533 135271204 /nfs/dbraw/zinc/27/12/04/135271204.db2.gz RBIRIAFOHCVVPG-NSHDSACASA-N 1 0 240.351 0.188 20 30 BCEDRO [NH2+]=C(NC[C@@H](O)C(F)(F)F)Nc1ccccn1 ZINC000262009478 135272377 /nfs/dbraw/zinc/27/23/77/135272377.db2.gz STKWHPCMPKKHIF-ZCFIWIBFSA-N 1 0 248.208 0.731 20 30 BCEDRO Cc1n[nH]cc1CNC(=[NH2+])N1CCSCC1 ZINC000262020161 135273346 /nfs/dbraw/zinc/27/33/46/135273346.db2.gz XQUJEYRZZPGYOI-UHFFFAOYSA-N 1 0 239.348 0.582 20 30 BCEDRO CN(C)C(=[NH+]CCNc1cc[nH+]cc1)N(C)C ZINC000262026105 135274008 /nfs/dbraw/zinc/27/40/08/135274008.db2.gz ZNMBNLZSVMQGRF-UHFFFAOYSA-N 1 0 235.335 0.973 20 30 BCEDRO C[C@@H]1CC[C@H]1NC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262100996 135278310 /nfs/dbraw/zinc/27/83/10/135278310.db2.gz IRSHGAUONRIWRB-KXUCPTDWSA-N 1 0 211.309 0.868 20 30 BCEDRO C[C@@H]1CC[C@@H]1NC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262100999 135278397 /nfs/dbraw/zinc/27/83/97/135278397.db2.gz IRSHGAUONRIWRB-UTLUCORTSA-N 1 0 211.309 0.868 20 30 BCEDRO C[NH+]=C(NCCNc1cnccn1)NC1CC1 ZINC000262090891 135278499 /nfs/dbraw/zinc/27/84/99/135278499.db2.gz GWFNHMIZVQNPKR-UHFFFAOYSA-N 1 0 234.307 0.216 20 30 BCEDRO [NH2+]=C(NC[C@@H](O)C1CCCCC1)NC1CC1 ZINC000262089458 135278990 /nfs/dbraw/zinc/27/89/90/135278990.db2.gz GSDNADDDXAKCDB-LLVKDONJSA-N 1 0 225.336 0.994 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000262134227 135281418 /nfs/dbraw/zinc/28/14/18/135281418.db2.gz DJIOSRNDRDMXFN-ZJUUUORDSA-N 1 0 211.309 0.799 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H]1CCCCS1 ZINC000262163580 135282929 /nfs/dbraw/zinc/28/29/29/135282929.db2.gz BKCUWXWPJOOJLD-SECBINFHSA-N 1 0 231.365 0.823 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCC(=O)NC2CC2)C1 ZINC000262182884 135284840 /nfs/dbraw/zinc/28/48/40/135284840.db2.gz BRAPJEBAUOBYKW-VIFPVBQESA-N 1 0 238.335 0.312 20 30 BCEDRO CCn1cc(CNC(=[NH2+])NC2CC2)cn1 ZINC000262181457 135284880 /nfs/dbraw/zinc/28/48/80/135284880.db2.gz WVKMUGQOCODXCE-UHFFFAOYSA-N 1 0 207.281 0.470 20 30 BCEDRO C=CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000262195998 135285323 /nfs/dbraw/zinc/28/53/23/135285323.db2.gz JZKNJGNZEFDNNB-UWVGGRQHSA-N 1 0 211.309 0.989 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@]2(O)CCC[C@@H]2C)N1 ZINC000262220716 135285648 /nfs/dbraw/zinc/28/56/48/135285648.db2.gz MPLCSGHDTMBKJE-IQJOONFLSA-N 1 0 211.309 0.475 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC1=CCCOC1 ZINC000262259084 135288106 /nfs/dbraw/zinc/28/81/06/135288106.db2.gz FVRKUYVPORHRBR-VIFPVBQESA-N 1 0 227.308 0.272 20 30 BCEDRO C[C@H](CC#N)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000342561580 135289375 /nfs/dbraw/zinc/28/93/75/135289375.db2.gz VWTUWIFKQFDMEK-OPRDCNLKSA-N 1 0 209.293 0.602 20 30 BCEDRO CN(C(=[NH2+])NCc1ccc(C(N)=O)o1)C1CC1 ZINC000262207395 135290027 /nfs/dbraw/zinc/29/00/27/135290027.db2.gz IJRSXSKJEVZCOJ-UHFFFAOYSA-N 1 0 236.275 0.287 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NCC1(CO)CCC1 ZINC000262287187 135290658 /nfs/dbraw/zinc/29/06/58/135290658.db2.gz WYXZWFWHCWYYBE-SNVBAGLBSA-N 1 0 241.335 0.232 20 30 BCEDRO CN(C(=[NH2+])NCc1ccn(C)n1)C1CC1 ZINC000262297210 135291241 /nfs/dbraw/zinc/29/12/41/135291241.db2.gz YTXPRFGLXKVODC-UHFFFAOYSA-N 1 0 207.281 0.329 20 30 BCEDRO CN1CC[NH+]=C1NCc1nccc(C(F)F)n1 ZINC000262303328 135292238 /nfs/dbraw/zinc/29/22/38/135292238.db2.gz LKPSHNWFQQUISD-UHFFFAOYSA-N 1 0 241.245 0.805 20 30 BCEDRO CCn1ncnc1CNC(NC1CC1)=[NH+]C ZINC000262323418 135293162 /nfs/dbraw/zinc/29/31/62/135293162.db2.gz CWPGTKIZRXEWQV-UHFFFAOYSA-N 1 0 222.296 0.125 20 30 BCEDRO [NH2+]=C(NC1CC1)N[C@H]1CCn2ccnc2C1 ZINC000262404691 135295060 /nfs/dbraw/zinc/29/50/60/135295060.db2.gz AWECRHJMLDJFGR-VIFPVBQESA-N 1 0 219.292 0.265 20 30 BCEDRO COC(=O)c1ccc(CNC(=[NH2+])NC(C)C)o1 ZINC000262411897 135295483 /nfs/dbraw/zinc/29/54/83/135295483.db2.gz SNNHKSLKWDXNRM-UHFFFAOYSA-N 1 0 239.275 0.879 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@H](O)C1(C)C ZINC000262409872 135295534 /nfs/dbraw/zinc/29/55/34/135295534.db2.gz CWCDTTHSKKAIBX-DJLDLDEBSA-N 1 0 213.325 0.849 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1ncccc1O ZINC000262411900 135295555 /nfs/dbraw/zinc/29/55/55/135295555.db2.gz SNQWUKGCMLFYBO-QMMMGPOBSA-N 1 0 222.292 0.990 20 30 BCEDRO C[C@@]1(CNC(=[NH2+])N2CCOCC2)CCCS1 ZINC000262410606 135295636 /nfs/dbraw/zinc/29/56/36/135295636.db2.gz PFEOQVHCROPXJN-NSHDSACASA-N 1 0 243.376 0.919 20 30 BCEDRO C[NH+]=C(NC[C@]1(O)CCSC1)N1CCCC1 ZINC000262432683 135296995 /nfs/dbraw/zinc/29/69/95/135296995.db2.gz BVVFBIXZKWHMQY-LLVKDONJSA-N 1 0 243.376 0.526 20 30 BCEDRO C[C@@H](C[S@](C)=O)N(C)CC1(C#N)CC1 ZINC000342629014 135297604 /nfs/dbraw/zinc/29/76/04/135297604.db2.gz DBHUSTHSLDQVMG-XPTSAGLGSA-N 1 0 214.334 0.989 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@H]1COC2(CCCC2)O1 ZINC000262393852 135298236 /nfs/dbraw/zinc/29/82/36/135298236.db2.gz OOOMCWTWRYQKDS-VIFPVBQESA-N 1 0 227.308 0.548 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H]1C1CC1 ZINC000262439789 135299337 /nfs/dbraw/zinc/29/93/37/135299337.db2.gz NTGPMPZMDXLBCR-UJNFCWOMSA-N 1 0 211.309 0.724 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCC2(C)CC2)CCO1 ZINC000262436359 135299344 /nfs/dbraw/zinc/29/93/44/135299344.db2.gz GJUQKMSYCPJVKY-SECBINFHSA-N 1 0 211.309 0.822 20 30 BCEDRO CC(=O)N1CCC[C@@H](CNC(=[NH2+])NC2CC2)C1 ZINC000262447001 135299612 /nfs/dbraw/zinc/29/96/12/135299612.db2.gz YXODSSQONBSAPE-JTQLQIEISA-N 1 0 238.335 0.312 20 30 BCEDRO C=C(Cl)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262458446 135300217 /nfs/dbraw/zinc/30/02/17/135300217.db2.gz LUGUPYSYDMDDFU-MRVPVSSYSA-N 1 0 217.700 0.774 20 30 BCEDRO COC(C)(C)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262454199 135300326 /nfs/dbraw/zinc/30/03/26/135300326.db2.gz KQDGDGANKXRSQS-SECBINFHSA-N 1 0 229.324 0.447 20 30 BCEDRO CN(C(=[NH2+])N[C@@H]1CCn2ccnc2C1)C1CC1 ZINC000262460925 135300424 /nfs/dbraw/zinc/30/04/24/135300424.db2.gz JZYLZVBOYMIDQG-SECBINFHSA-N 1 0 233.319 0.607 20 30 BCEDRO COC(C)(C)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262454200 135300616 /nfs/dbraw/zinc/30/06/16/135300616.db2.gz KQDGDGANKXRSQS-VIFPVBQESA-N 1 0 229.324 0.447 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCCC[N@@H+]2C2CC2)N1 ZINC000262474261 135300976 /nfs/dbraw/zinc/30/09/76/135300976.db2.gz BQQHFWWZPZUFPM-ZYHUDNBSSA-N 1 0 236.363 0.941 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCCO2)CCO1 ZINC000262467064 135301281 /nfs/dbraw/zinc/30/12/81/135301281.db2.gz NWQUUZXJTHIHHP-ZJUUUORDSA-N 1 0 227.308 0.201 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCC=CO2)CCO1 ZINC000262476375 135301622 /nfs/dbraw/zinc/30/16/22/135301622.db2.gz QGHZDPSGQFICIK-GHMZBOCLSA-N 1 0 239.319 0.715 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@]2(C)CCOC2)CCO1 ZINC000262487172 135302144 /nfs/dbraw/zinc/30/21/44/135302144.db2.gz SVWNMXFUOGRAAN-JQWIXIFHSA-N 1 0 241.335 0.448 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCC2(CO)CCC2)CCO1 ZINC000262494971 135302562 /nfs/dbraw/zinc/30/25/62/135302562.db2.gz WCYHWGSONIWGFY-SNVBAGLBSA-N 1 0 241.335 0.184 20 30 BCEDRO C[C@]1(CNC(=[NH2+])NC2CC2)CCCC[C@@H]1O ZINC000262492990 135302606 /nfs/dbraw/zinc/30/26/06/135302606.db2.gz VMEWTMJKKVCTMB-CMPLNLGQSA-N 1 0 225.336 0.994 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@]2(C)CCCO2)CCO1 ZINC000262506186 135303456 /nfs/dbraw/zinc/30/34/56/135303456.db2.gz ZWYBVHLSNMQCRN-JQWIXIFHSA-N 1 0 241.335 0.591 20 30 BCEDRO Cn1nc2c(c1CNC(=[NH2+])NC1CC1)CCCC2 ZINC000262614199 135308719 /nfs/dbraw/zinc/30/87/19/135308719.db2.gz BGCYBPWBUUEWNV-UHFFFAOYSA-N 1 0 247.346 0.866 20 30 BCEDRO CN1CC[NH+]=C1NC[C@H](O)C1CCCCC1 ZINC000262646067 135310940 /nfs/dbraw/zinc/31/09/40/135310940.db2.gz JELWFYFYIQQNKN-NSHDSACASA-N 1 0 225.336 0.819 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@H]1COC2(CCCC2)O1 ZINC000262661111 135312136 /nfs/dbraw/zinc/31/21/36/135312136.db2.gz MXYSXJOFEWDZJV-SNVBAGLBSA-N 1 0 239.319 0.563 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@]2(N(C)C)CCSC2)N1 ZINC000262661774 135312327 /nfs/dbraw/zinc/31/23/27/135312327.db2.gz NBFYJTUEWVBUNK-GXSJLCMTSA-N 1 0 242.392 0.361 20 30 BCEDRO C=CCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000342703382 135312353 /nfs/dbraw/zinc/31/23/53/135312353.db2.gz JKANBFFNLBUQQH-UHFFFAOYSA-N 1 0 209.293 0.734 20 30 BCEDRO CO[C@@H](CNC1=[NH+]CCN1C)C(C)(C)C ZINC000262667990 135312533 /nfs/dbraw/zinc/31/25/33/135312533.db2.gz PSRGVKRPWFIOCL-VIFPVBQESA-N 1 0 213.325 0.939 20 30 BCEDRO C[C@@H]1CC[C@H]1NC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262677700 135312671 /nfs/dbraw/zinc/31/26/71/135312671.db2.gz UOONBHXXDWBWCM-OPRDCNLKSA-N 1 0 211.309 0.820 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCOC[C@@H]2C)N1 ZINC000262676628 135312804 /nfs/dbraw/zinc/31/28/04/135312804.db2.gz UEXROWSYJNHDFO-AEJSXWLSSA-N 1 0 211.309 0.596 20 30 BCEDRO C[C@H]1CC[C@@H]1NC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262677688 135312954 /nfs/dbraw/zinc/31/29/54/135312954.db2.gz UOONBHXXDWBWCM-AEJSXWLSSA-N 1 0 211.309 0.820 20 30 BCEDRO CO[C@H]1C[C@@H](NC(=[NH2+])N2CCOCC2)C1(C)C ZINC000262692227 135313750 /nfs/dbraw/zinc/31/37/50/135313750.db2.gz CMDFHCZMCSGGNH-ZJUUUORDSA-N 1 0 241.335 0.447 20 30 BCEDRO CN1CC[NH+]=C1N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262686843 135313833 /nfs/dbraw/zinc/31/38/33/135313833.db2.gz YQOVTLAEYFNDCY-BBBLOLIVSA-N 1 0 223.320 0.691 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCC(=O)OC(C)(C)C)N1 ZINC000262688387 135314073 /nfs/dbraw/zinc/31/40/73/135314073.db2.gz ZFVJKEIUPDHDBM-MRVPVSSYSA-N 1 0 227.308 0.656 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC(C)(C)N2CCOCC2)N1 ZINC000262686231 135314149 /nfs/dbraw/zinc/31/41/49/135314149.db2.gz YMHIWLVUZBVPQY-SNVBAGLBSA-N 1 0 240.351 0.035 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC2CC(F)(F)C2)N1 ZINC000262712421 135314610 /nfs/dbraw/zinc/31/46/10/135314610.db2.gz QEZXZKGTOWIEKC-ZCFIWIBFSA-N 1 0 203.236 0.969 20 30 BCEDRO CN(C(=[NH2+])NCC1([S@](C)=O)CC1)C1CC1 ZINC000262770477 135317479 /nfs/dbraw/zinc/31/74/79/135317479.db2.gz HLWLNOFPTTZFQQ-HNNXBMFYSA-N 1 0 229.349 0.306 20 30 BCEDRO C=CCNC(=[NH2+])N[C@H]1C[C@@H](OC)C1(C)C ZINC000262806685 135318869 /nfs/dbraw/zinc/31/88/69/135318869.db2.gz NNDRMWDNWBYMHH-DTWKUNHWSA-N 1 0 211.309 0.890 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H]1CCC=CO1 ZINC000262844287 135320749 /nfs/dbraw/zinc/32/07/49/135320749.db2.gz VEQVTNMHJGRONJ-SECBINFHSA-N 1 0 213.281 0.230 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H]1CCC=CO1 ZINC000262844288 135320877 /nfs/dbraw/zinc/32/08/77/135320877.db2.gz VEQVTNMHJGRONJ-VIFPVBQESA-N 1 0 213.281 0.230 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@H]1C[C@@H](OC)C1(C)C ZINC000262855796 135321629 /nfs/dbraw/zinc/32/16/29/135321629.db2.gz XYNAWMNRXHFRCL-LPEHRKFASA-N 1 0 243.351 0.739 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)NC(=O)NC1CC1 ZINC000342766664 135326533 /nfs/dbraw/zinc/32/65/33/135326533.db2.gz UTAFKGOUFVQTTH-UHFFFAOYSA-N 1 0 225.292 0.483 20 30 BCEDRO CCn1nc(C)c(CNC(=[NH2+])NC(C)C)n1 ZINC000263018705 135327415 /nfs/dbraw/zinc/32/74/15/135327415.db2.gz DOMGTVYQWHQTSI-UHFFFAOYSA-N 1 0 224.312 0.419 20 30 BCEDRO CCn1nc(C)c(CNC(=[NH2+])NC2CC2)n1 ZINC000263039683 135328270 /nfs/dbraw/zinc/32/82/70/135328270.db2.gz IRUOCRMDTQWEQP-UHFFFAOYSA-N 1 0 222.296 0.173 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)N[C@H]1CC12CC2 ZINC000263038349 135328660 /nfs/dbraw/zinc/32/86/60/135328660.db2.gz IGWPZILNNCXREK-BDAKNGLRSA-N 1 0 209.293 0.622 20 30 BCEDRO COc1cccc(NC(=[NH2+])N[C@H]2C[C@@H](O)C2)c1 ZINC000263054051 135329646 /nfs/dbraw/zinc/32/96/46/135329646.db2.gz DUJATHZRQKVDSB-AOOOYVTPSA-N 1 0 235.287 0.945 20 30 BCEDRO Cc1ccc(CCNC2=[NH+]CCN2C)nc1 ZINC000263059633 135329886 /nfs/dbraw/zinc/32/98/86/135329886.db2.gz FJNRACDAAVPCBT-UHFFFAOYSA-N 1 0 218.304 0.824 20 30 BCEDRO CO[C@H](CNC(=[NH2+])N1CCSCC1)C1CC1 ZINC000263057195 135329993 /nfs/dbraw/zinc/32/99/93/135329993.db2.gz FBEOTKIZXWYXGL-SNVBAGLBSA-N 1 0 243.376 0.775 20 30 BCEDRO CN1CCC[NH+]=C1NC[C@H]1CCC[C@@H]1O ZINC000263072246 135331349 /nfs/dbraw/zinc/33/13/49/135331349.db2.gz GVAKMNJPBKYLFB-ZJUUUORDSA-N 1 0 211.309 0.429 20 30 BCEDRO CCNC(=O)C1(CNC(=[NH2+])N2CCC2)CCC1 ZINC000263112416 135333312 /nfs/dbraw/zinc/33/33/12/135333312.db2.gz LDSYXHZBCBVMJK-UHFFFAOYSA-N 1 0 238.335 0.313 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CCC[C@H]1C ZINC000263118999 135334470 /nfs/dbraw/zinc/33/44/70/135334470.db2.gz LTWPLNKXSCIYKW-SCVCMEIPSA-N 1 0 243.351 0.477 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000263167961 135337237 /nfs/dbraw/zinc/33/72/37/135337237.db2.gz ROUHTAVPYBEGIA-ZDCRXTMVSA-N 1 0 243.351 0.739 20 30 BCEDRO Cn1ncc(CNC(=[NH2+])NCC2CCC2)n1 ZINC000263188324 135338717 /nfs/dbraw/zinc/33/87/17/135338717.db2.gz XPSXZJSYYVNQLE-UHFFFAOYSA-N 1 0 222.296 0.020 20 30 BCEDRO C=CCNC(NCc1c[nH]nc1C)=[NH+]C ZINC000263240434 135341981 /nfs/dbraw/zinc/34/19/81/135341981.db2.gz LCCYVWUJRGOGDL-UHFFFAOYSA-N 1 0 207.281 0.569 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCN1CCOC[C@H]1C ZINC000263273804 135343727 /nfs/dbraw/zinc/34/37/27/135343727.db2.gz XRIOKYPVFLEXBJ-WDEREUQCSA-N 1 0 242.367 0.410 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)C3(CC3)C2)C1=O ZINC000334346362 135363880 /nfs/dbraw/zinc/36/38/80/135363880.db2.gz VXHXPFSAWVAVAM-QWRGUYRKSA-N 1 0 236.315 0.230 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cnccc1C ZINC000280417222 135368745 /nfs/dbraw/zinc/36/87/45/135368745.db2.gz WQMQBHWLWDTAIE-UHFFFAOYSA-N 1 0 219.288 0.782 20 30 BCEDRO Cn1nncc1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000287443161 135372879 /nfs/dbraw/zinc/37/28/79/135372879.db2.gz UNAMFJOFDFWGDF-ZJUUUORDSA-N 1 0 219.292 0.987 20 30 BCEDRO CNC(NCCCc1nccs1)=[NH+]C ZINC000290746325 135374423 /nfs/dbraw/zinc/37/44/23/135374423.db2.gz XTCXEODNIJENOX-UHFFFAOYSA-N 1 0 212.322 0.871 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000290675777 135374892 /nfs/dbraw/zinc/37/48/92/135374892.db2.gz ZDLHZMOITDQYHR-UTLUCORTSA-N 1 0 212.293 0.137 20 30 BCEDRO C=CCOCC[NH2+]C(C)(C)CC(N)=O ZINC000294731692 135378156 /nfs/dbraw/zinc/37/81/56/135378156.db2.gz WGFOKFOHRSYBCJ-UHFFFAOYSA-N 1 0 200.282 0.433 20 30 BCEDRO CNC(NCc1ccc(C#N)cc1)=[NH+]C ZINC000295012353 135379315 /nfs/dbraw/zinc/37/93/15/135379315.db2.gz XSDMOHGOZQOHMM-UHFFFAOYSA-N 1 0 202.261 0.853 20 30 BCEDRO CN(CC#N)C(=O)CC1CC[NH+](C)CC1 ZINC000334397523 135388620 /nfs/dbraw/zinc/38/86/20/135388620.db2.gz CMVRQUCVODSFNF-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO C=C(C)COCC[NH2+][C@H]1CCN(CCOC)C1 ZINC000336901421 135428298 /nfs/dbraw/zinc/42/82/98/135428298.db2.gz SQYIUGMUXZOSTH-ZDUSSCGKSA-N 1 0 242.363 0.889 20 30 BCEDRO N#Cc1ccc(N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000084484341 135472390 /nfs/dbraw/zinc/47/23/90/135472390.db2.gz LTRHEQWHDKYBSG-LBPRGKRZSA-N 1 0 217.272 0.722 20 30 BCEDRO CC#CCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000280849760 135495108 /nfs/dbraw/zinc/49/51/08/135495108.db2.gz AHFNCIVZJUXHIY-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC000231040564 135576797 /nfs/dbraw/zinc/57/67/97/135576797.db2.gz AHFDVNFHAVFBQV-WDEREUQCSA-N 1 0 228.336 0.674 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000184311805 135626823 /nfs/dbraw/zinc/62/68/23/135626823.db2.gz SIWRDGFHQGUFDF-AXFHLTTASA-N 1 0 244.360 0.561 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCCC[NH+](CC)CC ZINC000292183914 135652897 /nfs/dbraw/zinc/65/28/97/135652897.db2.gz BRLRIPSCXAWZQY-LLVKDONJSA-N 1 0 243.351 0.564 20 30 BCEDRO C=CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000334597519 135764327 /nfs/dbraw/zinc/76/43/27/135764327.db2.gz ITCUGIJDVAMTCA-GFCCVEGCSA-N 1 0 223.320 0.958 20 30 BCEDRO C#CCNC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000366927061 135912989 /nfs/dbraw/zinc/91/29/89/135912989.db2.gz XZHHFVKSTGYPRF-LLVKDONJSA-N 1 0 226.345 0.563 20 30 BCEDRO C=CCOCCC[N@@H+]1CCO[C@@H](COC)C1 ZINC000348063950 136025188 /nfs/dbraw/zinc/02/51/88/136025188.db2.gz WUOILLRLOXSFBL-GFCCVEGCSA-N 1 0 229.320 0.926 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000348027819 136026662 /nfs/dbraw/zinc/02/66/62/136026662.db2.gz FWUGQOJLZVYLGV-GHMZBOCLSA-N 1 0 242.319 0.154 20 30 BCEDRO C=CCOCCC[N@H+]1CCCN(C(N)=O)CC1 ZINC000348029708 136027266 /nfs/dbraw/zinc/02/72/66/136027266.db2.gz GWKPXJANYKVSRG-UHFFFAOYSA-N 1 0 241.335 0.666 20 30 BCEDRO C=CCOCCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348044665 136029828 /nfs/dbraw/zinc/02/98/28/136029828.db2.gz BMWSRULGUOSOKY-CYBMUJFWSA-N 1 0 240.347 0.596 20 30 BCEDRO C=CCOCCCN1C[C@H](O)C[C@@H]1C(=O)OC ZINC000348047878 136029928 /nfs/dbraw/zinc/02/99/28/136029928.db2.gz LTJULVZENWZCIW-GHMZBOCLSA-N 1 0 243.303 0.187 20 30 BCEDRO C=CCOCCCN1C[C@@H](O)C[C@H]1C(=O)OC ZINC000348047885 136030319 /nfs/dbraw/zinc/03/03/19/136030319.db2.gz LTJULVZENWZCIW-QWRGUYRKSA-N 1 0 243.303 0.187 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000348170791 136042815 /nfs/dbraw/zinc/04/28/15/136042815.db2.gz SLRWXVGYWIMOBL-TXEJJXNPSA-N 1 0 229.320 0.925 20 30 BCEDRO C[NH+](C)[C@H]1CCC[C@@H](NC(=O)CC#N)C1 ZINC000335327907 136052512 /nfs/dbraw/zinc/05/25/12/136052512.db2.gz HGGKDWWUQNKCAQ-ZJUUUORDSA-N 1 0 209.293 0.889 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@H]2CCC[C@@H]21 ZINC000335399629 136093785 /nfs/dbraw/zinc/09/37/85/136093785.db2.gz LFOMYPGLHAASKK-ZJUUUORDSA-N 1 0 207.277 0.501 20 30 BCEDRO C=CCCOCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000644099403 397760013 /nfs/dbraw/zinc/76/00/13/397760013.db2.gz OUNATWUIOXPIMF-LBPRGKRZSA-N 1 0 238.331 0.932 20 30 BCEDRO C#C[C@H](CC)NC(=O)CCc1ncc[nH]1 ZINC000491749066 397867625 /nfs/dbraw/zinc/86/76/25/397867625.db2.gz SFDILERZKODABG-SECBINFHSA-N 1 0 205.261 0.870 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ccoc1 ZINC000170904531 397825442 /nfs/dbraw/zinc/82/54/42/397825442.db2.gz KDZGQMLPRKSRQO-QMMMGPOBSA-N 1 0 211.265 0.719 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1c[nH]ccc1=O ZINC000592029848 397942532 /nfs/dbraw/zinc/94/25/32/397942532.db2.gz LYNPHPOCPNJMLD-QMMMGPOBSA-N 1 0 234.259 0.335 20 30 BCEDRO C=CCOCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000446359667 397947431 /nfs/dbraw/zinc/94/74/31/397947431.db2.gz KYELNVGFNBFANR-PHIMTYICSA-N 1 0 224.304 0.542 20 30 BCEDRO Cn1ccc(C[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592523376 397951050 /nfs/dbraw/zinc/95/10/50/397951050.db2.gz ZFPDDRZDMQQASU-LBPRGKRZSA-N 1 0 219.288 0.876 20 30 BCEDRO Cn1ccc(C[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592523375 397951079 /nfs/dbraw/zinc/95/10/79/397951079.db2.gz ZFPDDRZDMQQASU-GFCCVEGCSA-N 1 0 219.288 0.876 20 30 BCEDRO N#CC1(CC(=O)NCCNc2cc[nH+]cc2)CC1 ZINC000590664686 397909258 /nfs/dbraw/zinc/90/92/58/397909258.db2.gz AIDPHNVCHSPWRL-UHFFFAOYSA-N 1 0 244.298 0.725 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)O[C@@H](C)COC)CC1 ZINC000491506277 398044542 /nfs/dbraw/zinc/04/45/42/398044542.db2.gz OQTVKTAMPIUPLJ-NSHDSACASA-N 1 0 239.315 0.910 20 30 BCEDRO C=CCOCC[NH2+]Cc1cnc(N(C)C)n1C ZINC000383092158 397996840 /nfs/dbraw/zinc/99/68/40/397996840.db2.gz XLNLLVJBPHMDOE-UHFFFAOYSA-N 1 0 238.335 0.778 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000491513469 398046091 /nfs/dbraw/zinc/04/60/91/398046091.db2.gz CBIHCTVNYSVVGF-ZJUUUORDSA-N 1 0 211.309 0.777 20 30 BCEDRO C=CCC[NH+]1CCN(C(COC)COC)CC1 ZINC000649629980 398010849 /nfs/dbraw/zinc/01/08/49/398010849.db2.gz ZWSBWKWQHZJUHY-UHFFFAOYSA-N 1 0 242.363 0.842 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000648122475 398016974 /nfs/dbraw/zinc/01/69/74/398016974.db2.gz YVQGWKZNDLLIOS-NXEZZACHSA-N 1 0 249.318 0.464 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)n2ccnc21 ZINC000491535140 398047526 /nfs/dbraw/zinc/04/75/26/398047526.db2.gz AEERLZFVDJVECE-GHMZBOCLSA-N 1 0 246.314 0.618 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000490678304 398027160 /nfs/dbraw/zinc/02/71/60/398027160.db2.gz NFTNWGYTFODZBI-AXFHLTTASA-N 1 0 240.372 0.950 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[NH2+]CCC)C(C)C ZINC000491305984 398037939 /nfs/dbraw/zinc/03/79/39/398037939.db2.gz LHHAUJNVWGAACX-LLVKDONJSA-N 1 0 225.336 0.943 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CC[C@@H](F)C1 ZINC000491408272 398040650 /nfs/dbraw/zinc/04/06/50/398040650.db2.gz VCOPJWPFUKMAKX-ZJUUUORDSA-N 1 0 212.268 0.606 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000491503170 398043713 /nfs/dbraw/zinc/04/37/13/398043713.db2.gz BGEJVGXLSFOFAD-WYUUTHIRSA-N 1 0 220.316 0.903 20 30 BCEDRO CCc1nc(C#N)cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000601982619 398063701 /nfs/dbraw/zinc/06/37/01/398063701.db2.gz JSFMABONEQIKKK-AOOOYVTPSA-N 1 0 243.314 0.851 20 30 BCEDRO C#CCN(C)C(=O)NCCC[NH+]1CCCC1 ZINC000491737175 398063732 /nfs/dbraw/zinc/06/37/32/398063732.db2.gz RMJKMUVJHHQZSZ-UHFFFAOYSA-N 1 0 223.320 0.747 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@](C)(OC)C1 ZINC000491766008 398066118 /nfs/dbraw/zinc/06/61/18/398066118.db2.gz CWMMGTXNZPELFT-CYBMUJFWSA-N 1 0 238.331 0.627 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000491767865 398066806 /nfs/dbraw/zinc/06/68/06/398066806.db2.gz HMYFUJIQRLMRNG-SCZZXKLOSA-N 1 0 209.293 0.387 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@@H+](C)CCCC ZINC000491787475 398068690 /nfs/dbraw/zinc/06/86/90/398068690.db2.gz XQPGFEPYKYHHOZ-UHFFFAOYSA-N 1 0 225.336 0.993 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](O)CO[C@H](C)COC ZINC000491788992 398069606 /nfs/dbraw/zinc/06/96/06/398069606.db2.gz UARGDWYVQWNJAT-VXGBXAGGSA-N 1 0 243.347 0.742 20 30 BCEDRO CC[NH2+][C@H](C)C(=O)N1CCN(CCC#N)CC1 ZINC000602604377 398077184 /nfs/dbraw/zinc/07/71/84/398077184.db2.gz OWTBBCGYXUPSIZ-LLVKDONJSA-N 1 0 238.335 0.042 20 30 BCEDRO C=CCn1cc(C(=O)NC2CCC([NH3+])CC2)nn1 ZINC000647727182 398053758 /nfs/dbraw/zinc/05/37/58/398053758.db2.gz PEKMQWRDJYAYPN-UHFFFAOYSA-N 1 0 249.318 0.464 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000491655196 398054595 /nfs/dbraw/zinc/05/45/95/398054595.db2.gz GJGGQJZJWINVAL-JTQLQIEISA-N 1 0 209.293 0.388 20 30 BCEDRO C#CCN(C(=S)NCCC[NH+](C)C)C1CC1 ZINC000491669904 398057817 /nfs/dbraw/zinc/05/78/17/398057817.db2.gz QEJAMQVNEKPVIM-UHFFFAOYSA-N 1 0 239.388 0.910 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1=CCOCC1 ZINC000491671268 398058590 /nfs/dbraw/zinc/05/85/90/398058590.db2.gz FOVUDDXCNWAIIS-UHFFFAOYSA-N 1 0 236.315 0.404 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC[C@@H](OC)C1 ZINC000491671051 398058717 /nfs/dbraw/zinc/05/87/17/398058717.db2.gz PVRFEPDQVFKDOL-GHMZBOCLSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000245406459 398115745 /nfs/dbraw/zinc/11/57/45/398115745.db2.gz XKDVSEWMGPJAGU-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC([C@@H](C)CO)CC1 ZINC000649805375 398112872 /nfs/dbraw/zinc/11/28/72/398112872.db2.gz UDSQKQOQNCBFPM-NSHDSACASA-N 1 0 240.347 0.629 20 30 BCEDRO C=CCCOCC(=O)N[C@@H](C)CC[NH3+] ZINC000389587313 398115188 /nfs/dbraw/zinc/11/51/88/398115188.db2.gz KAZHPWCLJLGPTN-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO C[C@@H]1CN(c2ccc(C#N)nn2)[C@@H](C)C[N@@H+]1C ZINC000611256825 398125850 /nfs/dbraw/zinc/12/58/50/398125850.db2.gz AONOIJOQLFEHBX-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000109809328 322866180 /nfs/dbraw/zinc/86/61/80/322866180.db2.gz NEXAVIIDYZHFCP-RYUDHWBXSA-N 1 0 237.347 0.150 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000669362869 487558314 /nfs/dbraw/zinc/55/83/14/487558314.db2.gz GEYCZJQDNRYCSS-YPMHNXCESA-N 1 0 240.347 0.724 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000248992436 322884171 /nfs/dbraw/zinc/88/41/71/322884171.db2.gz NVDREEBJXMAKRP-UTUOFQBUSA-N 1 0 224.304 0.810 20 30 BCEDRO C=CC[N@@H+](C)Cc1ccc(S(N)(=O)=O)cc1 ZINC000685610808 487562914 /nfs/dbraw/zinc/56/29/14/487562914.db2.gz MYXZYEMKBPBYHO-UHFFFAOYSA-N 1 0 240.328 0.952 20 30 BCEDRO C=CCCn1cc(CN(C)CC[NH3+])nn1 ZINC000404483676 487569651 /nfs/dbraw/zinc/56/96/51/487569651.db2.gz IBXBQMJFRGIHIX-UHFFFAOYSA-N 1 0 209.297 0.245 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000685797683 487579169 /nfs/dbraw/zinc/57/91/69/487579169.db2.gz KVJMUMLVMORTKU-YPMHNXCESA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000685797681 487579199 /nfs/dbraw/zinc/57/91/99/487579199.db2.gz KVJMUMLVMORTKU-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000680387319 487579977 /nfs/dbraw/zinc/57/99/77/487579977.db2.gz OZEAPBFQHMUQSQ-GHMZBOCLSA-N 1 0 241.335 0.317 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000680387320 487580365 /nfs/dbraw/zinc/58/03/65/487580365.db2.gz OZEAPBFQHMUQSQ-MNOVXSKESA-N 1 0 241.335 0.317 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]1COC ZINC000674466995 487582456 /nfs/dbraw/zinc/58/24/56/487582456.db2.gz QDRNYCUIRCASTM-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]1COC ZINC000674467002 487582519 /nfs/dbraw/zinc/58/25/19/487582519.db2.gz QDRNYCUIRCASTM-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C[C@H]1CN(C(=O)C2(C#N)CCCC2)CC[NH2+]1 ZINC000568152567 322916319 /nfs/dbraw/zinc/91/63/19/322916319.db2.gz AJCALZJGOALSLF-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCC[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000273554004 166148856 /nfs/dbraw/zinc/14/88/56/166148856.db2.gz ZEUFKNVPVIFSKE-GFCCVEGCSA-N 1 0 216.284 0.696 20 30 BCEDRO C#CCN(C(=O)C[N@@H+](C)C(C)C)C1CC1 ZINC000274043102 166151439 /nfs/dbraw/zinc/15/14/39/166151439.db2.gz FUIHBADHUCCPSG-UHFFFAOYSA-N 1 0 208.305 0.951 20 30 BCEDRO C#CCN(C(=O)/C=C/C[NH+](C)C)C1CC1 ZINC000274145973 166151839 /nfs/dbraw/zinc/15/18/39/166151839.db2.gz YCDCLBRBFCBWHY-AATRIKPKSA-N 1 0 206.289 0.728 20 30 BCEDRO C=CCOCC[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000680489432 487605550 /nfs/dbraw/zinc/60/55/50/487605550.db2.gz YOZCSPUSIORGKU-CYBMUJFWSA-N 1 0 248.326 0.875 20 30 BCEDRO C=CCOCC[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000680489433 487606497 /nfs/dbraw/zinc/60/64/97/487606497.db2.gz YOZCSPUSIORGKU-ZDUSSCGKSA-N 1 0 248.326 0.875 20 30 BCEDRO C#CCC[N@H+]1CC(=O)N[C@@H]2CCCC[C@@H]21 ZINC000270657487 166136882 /nfs/dbraw/zinc/13/68/82/166136882.db2.gz VBORIEAVLGBDMP-MNOVXSKESA-N 1 0 206.289 0.753 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@H](C)CCCO)CCC[NH2+]1 ZINC000662612150 409786663 /nfs/dbraw/zinc/78/66/63/409786663.db2.gz UDYHIOUVIYYLQK-DGCLKSJQSA-N 1 0 240.347 0.962 20 30 BCEDRO C=C[C@@H](C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660881549 409923375 /nfs/dbraw/zinc/92/33/75/409923375.db2.gz MVYKROAVTOAVLD-SECBINFHSA-N 1 0 211.309 0.764 20 30 BCEDRO C=CCOCCCNC(=O)CC1([NH3+])CC1 ZINC000662874373 409960955 /nfs/dbraw/zinc/96/09/55/409960955.db2.gz WZNDORBMDJUCDU-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO C=CC[N@H+](C[C@@H]1COCCO1)[C@@H](C)COC ZINC000661238963 410397855 /nfs/dbraw/zinc/39/78/55/410397855.db2.gz AWPPGCIRJQRKME-NWDGAFQWSA-N 1 0 229.320 0.925 20 30 BCEDRO C#CCCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000265002356 166143285 /nfs/dbraw/zinc/14/32/85/166143285.db2.gz JHKZRFUPVYBVMB-SNVBAGLBSA-N 1 0 211.309 0.649 20 30 BCEDRO C#CCN(CC#C)C(=O)C[NH+](CC)CC ZINC000173484543 166160783 /nfs/dbraw/zinc/16/07/83/166160783.db2.gz POGKMKXORIVZTH-UHFFFAOYSA-N 1 0 206.289 0.423 20 30 BCEDRO C#CCN(CC#C)C(=O)C1CC[NH+](C)CC1 ZINC000267655060 166161485 /nfs/dbraw/zinc/16/14/85/166161485.db2.gz LTLLFRZOSYKVBO-UHFFFAOYSA-N 1 0 218.300 0.423 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000270893214 166162840 /nfs/dbraw/zinc/16/28/40/166162840.db2.gz CZSBVTKUTXTAGV-CYBMUJFWSA-N 1 0 248.326 0.050 20 30 BCEDRO C#CC[N@@H+](CCC(N)=O)Cc1ccccc1 ZINC000119827241 166170027 /nfs/dbraw/zinc/17/00/27/166170027.db2.gz BKKZYAFGHGDTSY-UHFFFAOYSA-N 1 0 216.284 0.997 20 30 BCEDRO C#CCNC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000267133578 166179198 /nfs/dbraw/zinc/17/91/98/166179198.db2.gz SCZHRHQXVOXSCA-LLVKDONJSA-N 1 0 241.360 0.356 20 30 BCEDRO C#CCNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268096168 166181219 /nfs/dbraw/zinc/18/12/19/166181219.db2.gz AVJWMTUDHKOAHU-ONGXEEELSA-N 1 0 221.304 0.402 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000273417597 166182542 /nfs/dbraw/zinc/18/25/42/166182542.db2.gz UVCPREIRHSFGQJ-NXEZZACHSA-N 1 0 234.303 0.209 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000274136946 166182794 /nfs/dbraw/zinc/18/27/94/166182794.db2.gz WTNBYJZJWDQSDG-RKDXNWHRSA-N 1 0 220.276 0.198 20 30 BCEDRO C#CCSCC[NH2+]Cc1cnnn1C ZINC000165503703 166202905 /nfs/dbraw/zinc/20/29/05/166202905.db2.gz FGLRXHJKHASICO-UHFFFAOYSA-N 1 0 210.306 0.271 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000274839391 166208999 /nfs/dbraw/zinc/20/89/99/166208999.db2.gz UATZSOGJTMSGOS-NXEZZACHSA-N 1 0 211.309 0.648 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000274826888 166209413 /nfs/dbraw/zinc/20/94/13/166209413.db2.gz QZMOOJFOEXFAMO-GHMZBOCLSA-N 1 0 239.319 0.028 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000166453670 166211203 /nfs/dbraw/zinc/21/12/03/166211203.db2.gz OWYUROUCFWBRAI-SECBINFHSA-N 1 0 202.257 0.897 20 30 BCEDRO C=CCCC[N@@H+](C)CC(=O)NCCC(=O)OC ZINC000121143014 166232902 /nfs/dbraw/zinc/23/29/02/166232902.db2.gz TZCZSMGTSRHMAR-UHFFFAOYSA-N 1 0 242.319 0.564 20 30 BCEDRO C=CCC[N@H+]1CCCN(CCOC)C(=O)C1 ZINC000338538406 166263396 /nfs/dbraw/zinc/26/33/96/166263396.db2.gz AGNSKVBSPFAVFP-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=CCCN1CCO[C@@H](CNC(C)=O)C1 ZINC000172625738 166263500 /nfs/dbraw/zinc/26/35/00/166263500.db2.gz NHNPHLLGOGUIKF-NSHDSACASA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000338564260 166263850 /nfs/dbraw/zinc/26/38/50/166263850.db2.gz PPBRXMATMNBJQC-UHFFFAOYSA-N 1 0 223.276 0.237 20 30 BCEDRO C=CCC[NH+]1CCN(c2nc(N)ns2)CC1 ZINC000268334825 166265279 /nfs/dbraw/zinc/26/52/79/166265279.db2.gz YOXSRJNFZRFUTF-UHFFFAOYSA-N 1 0 239.348 0.818 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158566860 166272177 /nfs/dbraw/zinc/27/21/77/166272177.db2.gz HKHNIAKQMNADSK-WDEREUQCSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCC[C@H](C)[NH3+] ZINC000178700910 166272821 /nfs/dbraw/zinc/27/28/21/166272821.db2.gz BLVFHDFDXBPLDA-UWVGGRQHSA-N 1 0 214.309 0.821 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000127878750 166273522 /nfs/dbraw/zinc/27/35/22/166273522.db2.gz WLSQENZNGDZWNY-UWVGGRQHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237411201 166289665 /nfs/dbraw/zinc/28/96/65/166289665.db2.gz ZSYDBDPGZYANTH-KOLCDFICSA-N 1 0 226.320 0.821 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000268597149 166296830 /nfs/dbraw/zinc/29/68/30/166296830.db2.gz WTXKCZMWXQUFKX-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000289273496 166297141 /nfs/dbraw/zinc/29/71/41/166297141.db2.gz FJLUDLRXOBNPEF-PWSUYJOCSA-N 1 0 228.336 0.803 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000336661928 166303494 /nfs/dbraw/zinc/30/34/94/166303494.db2.gz CKYCTYPDXFDKPK-SDDRHHMPSA-N 1 0 229.320 0.443 20 30 BCEDRO C=CCC[C@H](O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000268507246 166303999 /nfs/dbraw/zinc/30/39/99/166303999.db2.gz VDJWEXZIBPYCBQ-JTQLQIEISA-N 1 0 228.336 0.899 20 30 BCEDRO C=CCN(CC(F)(F)F)C(=O)[C@H](C)[NH3+] ZINC000155415105 166326703 /nfs/dbraw/zinc/32/67/03/166326703.db2.gz YOCDPLFHOMOLHA-LURJTMIESA-N 1 0 210.199 0.911 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C[C@@H](C)O ZINC000159503600 166330591 /nfs/dbraw/zinc/33/05/91/166330591.db2.gz UIEQDWFIAUVOKS-NEPJUHHUSA-N 1 0 240.347 0.888 20 30 BCEDRO C=CC[NH+](CC=C)CCC(=O)NCC(=O)OC ZINC000264657972 166336061 /nfs/dbraw/zinc/33/60/61/166336061.db2.gz QFLKBXNFMIXGKI-UHFFFAOYSA-N 1 0 240.303 0.340 20 30 BCEDRO C=CC[N@@H+](Cc1cn(C)c(=O)n(C)c1=O)C1CC1 ZINC000273466339 166348790 /nfs/dbraw/zinc/34/87/90/166348790.db2.gz INHGNVZHPGZHCF-UHFFFAOYSA-N 1 0 249.314 0.234 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2cnc[nH]2)CC1 ZINC000264385746 166352210 /nfs/dbraw/zinc/35/22/10/166352210.db2.gz MNGQGTMCLOEEDV-UHFFFAOYSA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)N[C@@H](C)CO)CC1 ZINC000264346357 166352289 /nfs/dbraw/zinc/35/22/89/166352289.db2.gz KFRJLVXWTBESEH-JTQLQIEISA-N 1 0 241.335 0.317 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)NCCCO)CC1 ZINC000264376867 166352910 /nfs/dbraw/zinc/35/29/10/166352910.db2.gz SPXDPZQHICRMDI-UHFFFAOYSA-N 1 0 241.335 0.318 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)Cc2cc[nH]n2)CC1 ZINC000173160653 166353430 /nfs/dbraw/zinc/35/34/30/166353430.db2.gz ZUYNAXHTGSDZGH-UHFFFAOYSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)[C@@H]2CCC[C@H]2O)C1=O ZINC000352667315 166357598 /nfs/dbraw/zinc/35/75/98/166357598.db2.gz JUUBPXCGRROAIQ-GRYCIOLGSA-N 1 0 238.331 0.619 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CCC)CC(C)(C)O ZINC000264244863 166364937 /nfs/dbraw/zinc/36/49/37/166364937.db2.gz FSOFAMLCIDKAHN-UHFFFAOYSA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](COC)[C@H]1CCCO1 ZINC000279087934 166370491 /nfs/dbraw/zinc/37/04/91/166370491.db2.gz OVXJVXGBCWRGOV-WDEREUQCSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCNC(=O)C[NH2+]CCSCC ZINC000273688659 166370659 /nfs/dbraw/zinc/37/06/59/166370659.db2.gz HYFODOQMLJNWGY-UHFFFAOYSA-N 1 0 202.323 0.631 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)C1 ZINC000263680431 166376479 /nfs/dbraw/zinc/37/64/79/166376479.db2.gz ICMKEQHNIPKIEN-NXEZZACHSA-N 1 0 239.319 0.729 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279700473 166381588 /nfs/dbraw/zinc/38/15/88/166381588.db2.gz GYPFWJZULRKTNY-NXEZZACHSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000368800369 166381895 /nfs/dbraw/zinc/38/18/95/166381895.db2.gz NSZBGHFWOYHHPH-NXEZZACHSA-N 1 0 224.304 0.134 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N(C)CCc1cnccn1 ZINC000271302748 166381911 /nfs/dbraw/zinc/38/19/11/166381911.db2.gz FURCUIQFJBGDHA-LLVKDONJSA-N 1 0 248.330 0.642 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N(C)Cc1nccn1C ZINC000272594019 166382860 /nfs/dbraw/zinc/38/28/60/166382860.db2.gz PXWWBFPNGOFCRD-SNVBAGLBSA-N 1 0 236.319 0.543 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000170687933 166382953 /nfs/dbraw/zinc/38/29/53/166382953.db2.gz SVIQARWVTKJAOQ-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCNC(=O)[C@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000123698339 166386460 /nfs/dbraw/zinc/38/64/60/166386460.db2.gz MIVGDSLTJXYQQU-NWDGAFQWSA-N 1 0 241.379 0.982 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC000048776066 166387505 /nfs/dbraw/zinc/38/75/05/166387505.db2.gz VQEAXYZJNAPEMI-UWVGGRQHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368800370 166388200 /nfs/dbraw/zinc/38/82/00/166388200.db2.gz NSZBGHFWOYHHPH-UWVGGRQHSA-N 1 0 224.304 0.134 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](O)[C@@H](CC)C1 ZINC000270957341 166388589 /nfs/dbraw/zinc/38/85/89/166388589.db2.gz ULASWJDKJMECLO-GARJFASQSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000277942600 166389010 /nfs/dbraw/zinc/38/90/10/166389010.db2.gz RCRYREALZJJAEW-DCAQKATOSA-N 1 0 226.320 0.692 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](COC)C1 ZINC000265749816 166389245 /nfs/dbraw/zinc/38/92/45/166389245.db2.gz FEPMFZYQFXUVOF-WDEREUQCSA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCOCCCC(=O)NC(C)(C)C[NH3+] ZINC000261598982 166415126 /nfs/dbraw/zinc/41/51/26/166415126.db2.gz ZQRWIOIDCXCJJQ-UHFFFAOYSA-N 1 0 214.309 0.823 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCCC[N@H+]1C ZINC000651073304 410782673 /nfs/dbraw/zinc/78/26/73/410782673.db2.gz WMHMKRUFSGJKTQ-UTUOFQBUSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CCCOCC(=O)NCC[NH2+]CC ZINC000393632426 411027142 /nfs/dbraw/zinc/02/71/42/411027142.db2.gz NPXUMQURTKLPEX-UHFFFAOYSA-N 1 0 200.282 0.305 20 30 BCEDRO C=CC[C@H]1CC[C@H]([NH2+]CCS(=O)(=O)NC)C1 ZINC000651781546 411143221 /nfs/dbraw/zinc/14/32/21/411143221.db2.gz NCMJMUXZPLNFPE-QWRGUYRKSA-N 1 0 246.376 0.870 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)CCC[NH3+] ZINC000309504044 411156325 /nfs/dbraw/zinc/15/63/25/411156325.db2.gz VMLDTTPRYGLVRB-SNVBAGLBSA-N 1 0 214.309 0.775 20 30 BCEDRO C=CCCn1cc(CN2CC[NH2+]C[C@H]2C)nn1 ZINC000655936916 411159763 /nfs/dbraw/zinc/15/97/63/411159763.db2.gz PTYCTGBMRKZDGN-LLVKDONJSA-N 1 0 235.335 0.648 20 30 BCEDRO C=CCCn1cc(CN2CC[C@H]([NH3+])C2)nn1 ZINC000655937056 411159819 /nfs/dbraw/zinc/15/98/19/411159819.db2.gz SINVOINVVHEUNT-JTQLQIEISA-N 1 0 221.308 0.387 20 30 BCEDRO C=CCCn1cc(CN(C)C2C[NH2+]C2)nn1 ZINC000655940145 411160456 /nfs/dbraw/zinc/16/04/56/411160456.db2.gz XBDPDLLTTOQBHL-UHFFFAOYSA-N 1 0 221.308 0.258 20 30 BCEDRO C=CCCn1cc(CN(C)CCC[NH2+]C)nn1 ZINC000655939878 411160476 /nfs/dbraw/zinc/16/04/76/411160476.db2.gz MBYGAVOSDLDYOQ-UHFFFAOYSA-N 1 0 237.351 0.896 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCCC1(C[NH3+])CC1 ZINC000652235856 411177425 /nfs/dbraw/zinc/17/74/25/411177425.db2.gz VTRHQTQZLYTMMX-JTQLQIEISA-N 1 0 241.335 0.352 20 30 BCEDRO C#CC[N@H+](C)CCn1c(C)csc1=O ZINC000192224185 411185952 /nfs/dbraw/zinc/18/59/52/411185952.db2.gz YBQQRWWOVKLTTA-UHFFFAOYSA-N 1 0 210.302 0.783 20 30 BCEDRO C=CCCOCC(=O)NCCC[NH2+]CC ZINC000309662043 411197543 /nfs/dbraw/zinc/19/75/43/411197543.db2.gz YFIXKACEJJDZNL-UHFFFAOYSA-N 1 0 214.309 0.695 20 30 BCEDRO CCOCCC[NH+]1CCN(CCC#N)CC1 ZINC000049820216 411245428 /nfs/dbraw/zinc/24/54/28/411245428.db2.gz MPIDZWXLJBHYNM-UHFFFAOYSA-N 1 0 225.336 0.944 20 30 BCEDRO C=CCCS(=O)(=O)NCCC1CC[NH2+]CC1 ZINC000652385314 411223743 /nfs/dbraw/zinc/22/37/43/411223743.db2.gz YIOWXIGNQAGZOW-UHFFFAOYSA-N 1 0 246.376 0.872 20 30 BCEDRO CC#CCNCc1cn(C2CC[NH2+]CC2)nn1 ZINC000656456370 411265829 /nfs/dbraw/zinc/26/58/29/411265829.db2.gz AIRCKMWBQRQNAB-UHFFFAOYSA-N 1 0 233.319 0.316 20 30 BCEDRO C[NH+](C)C1(CNC(=O)c2ccc(C#N)nc2)CC1 ZINC000416304380 411275008 /nfs/dbraw/zinc/27/50/08/411275008.db2.gz UUAVOWQDHSIUFX-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C=C(CC)Cn1cc(CC[C@@H](O)C[NH3+])nn1 ZINC000656453410 411276095 /nfs/dbraw/zinc/27/60/95/411276095.db2.gz KCWGYVGJIHZKGR-LLVKDONJSA-N 1 0 224.308 0.497 20 30 BCEDRO C=CC[N@@H+](CCN1C(=O)CN(C)C1=O)C1CC1 ZINC000660169978 411278109 /nfs/dbraw/zinc/27/81/09/411278109.db2.gz NCWAMQMJJBXFNE-UHFFFAOYSA-N 1 0 237.303 0.531 20 30 BCEDRO C=CCOCCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000658210037 411294277 /nfs/dbraw/zinc/29/42/77/411294277.db2.gz MYSVIODETPDGCO-LLVKDONJSA-N 1 0 247.360 0.746 20 30 BCEDRO C=CCOCCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000658209747 411294692 /nfs/dbraw/zinc/29/46/92/411294692.db2.gz JYKUSXJBKWYWNK-SNVBAGLBSA-N 1 0 235.349 0.602 20 30 BCEDRO C=CCNC(=O)CN1CCC(C)([NH3+])CC1 ZINC000309823358 411260944 /nfs/dbraw/zinc/26/09/44/411260944.db2.gz WVLBMXZHQMYEQE-UHFFFAOYSA-N 1 0 211.309 0.102 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000304213804 411354001 /nfs/dbraw/zinc/35/40/01/411354001.db2.gz FTKPHKBBSATHRK-LLVKDONJSA-N 1 0 225.292 0.036 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@H](CO)COC(C)C ZINC000339127614 411373980 /nfs/dbraw/zinc/37/39/80/411373980.db2.gz VWGNUANAYIDLLW-GFCCVEGCSA-N 1 0 231.336 0.907 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N[C@H](C)CCC ZINC000662165794 411370679 /nfs/dbraw/zinc/37/06/79/411370679.db2.gz OZFIGPOHPDUDOM-GMTAPVOTSA-N 1 0 228.336 0.816 20 30 BCEDRO C=CCOCCC[NH2+]C[C@H](O)COC ZINC000656709690 411336085 /nfs/dbraw/zinc/33/60/85/411336085.db2.gz QZBABXGGJOAHOY-JTQLQIEISA-N 1 0 203.282 0.176 20 30 BCEDRO C=CCOCCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000656708668 411336351 /nfs/dbraw/zinc/33/63/51/411336351.db2.gz JAZSIVRBEIXHTL-SNVBAGLBSA-N 1 0 235.349 0.602 20 30 BCEDRO CC1(C)[C@H](O)C[C@H]1NC(=[NH2+])N1CCSCC1 ZINC000186873679 168007077 /nfs/dbraw/zinc/00/70/77/168007077.db2.gz UJIXBIVBPAGCLW-RKDXNWHRSA-N 1 0 243.376 0.509 20 30 BCEDRO C=CCOCCCNC(=O)C1(C)C[NH2+]C1 ZINC000659357887 411374447 /nfs/dbraw/zinc/37/44/47/411374447.db2.gz BRJVSFNXSXKSQE-UHFFFAOYSA-N 1 0 212.293 0.305 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000659359075 411375195 /nfs/dbraw/zinc/37/51/95/411375195.db2.gz OLZFYAKDBDYUPM-SNVBAGLBSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CC[C@@H]1CCCN(C(=O)NCC[NH3+])C1 ZINC000659508747 411464431 /nfs/dbraw/zinc/46/44/31/411464431.db2.gz XVEOQPAGJQEQPJ-SNVBAGLBSA-N 1 0 211.309 0.943 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000659383120 411398431 /nfs/dbraw/zinc/39/84/31/411398431.db2.gz RBWXJNCZZWLSQI-SECBINFHSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCN(C(=O)[C@H](C)[NH3+])[C@@H](C)COC ZINC000659339193 411398619 /nfs/dbraw/zinc/39/86/19/411398619.db2.gz FFQPOIDTSOIICH-IUCAKERBSA-N 1 0 200.282 0.383 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000621814299 411399583 /nfs/dbraw/zinc/39/95/83/411399583.db2.gz ITEIPDMQROGPOI-AAEUAGOBSA-N 1 0 240.347 0.912 20 30 BCEDRO C=CCOCCCNC(=O)C(C)(C)C[NH3+] ZINC000659358453 411401440 /nfs/dbraw/zinc/40/14/40/411401440.db2.gz JETQGJNITROXCZ-UHFFFAOYSA-N 1 0 214.309 0.680 20 30 BCEDRO C=CCOCCCNC(=O)CCOC1C[NH2+]C1 ZINC000659358133 411402070 /nfs/dbraw/zinc/40/20/70/411402070.db2.gz DUOBMQFGBPQDQJ-UHFFFAOYSA-N 1 0 242.319 0.074 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](O)C(F)(F)F ZINC000264067897 411412887 /nfs/dbraw/zinc/41/28/87/411412887.db2.gz FJEBMXONCZHMKP-LURJTMIESA-N 1 0 225.214 0.390 20 30 BCEDRO C=C(CC)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405305912 411424168 /nfs/dbraw/zinc/42/41/68/411424168.db2.gz MDGRCNYIAVPHLN-NWDGAFQWSA-N 1 0 210.321 0.703 20 30 BCEDRO C=CCN(C(=O)NCCC[NH3+])[C@@H](C)COC ZINC000659511690 411424812 /nfs/dbraw/zinc/42/48/12/411424812.db2.gz JYXPYXFVLALFQQ-JTQLQIEISA-N 1 0 229.324 0.568 20 30 BCEDRO C=CCN(C(=O)N[C@H]1CC[NH2+]C1)[C@@H](C)COC ZINC000659514563 411426001 /nfs/dbraw/zinc/42/60/01/411426001.db2.gz BXOOXPMBLDVIFC-QWRGUYRKSA-N 1 0 241.335 0.581 20 30 BCEDRO C=CCN(C(=O)N[C@H]1CC[NH2+]C1)[C@H](C)COC ZINC000659514562 411426233 /nfs/dbraw/zinc/42/62/33/411426233.db2.gz BXOOXPMBLDVIFC-MNOVXSKESA-N 1 0 241.335 0.581 20 30 BCEDRO C=CCCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000659547865 411433879 /nfs/dbraw/zinc/43/38/79/411433879.db2.gz DJCYBANKPGAORU-ZETCQYMHSA-N 1 0 221.251 0.844 20 30 BCEDRO C=CCCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000659547862 411434088 /nfs/dbraw/zinc/43/40/88/411434088.db2.gz DJCYBANKPGAORU-SSDOTTSWSA-N 1 0 221.251 0.844 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122896257 411436505 /nfs/dbraw/zinc/43/65/05/411436505.db2.gz FPVXMUCYTSWZFN-TUAOUCFPSA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCOCCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659595707 411439239 /nfs/dbraw/zinc/43/92/39/411439239.db2.gz CMEFHHAXTRIVGW-UHFFFAOYSA-N 1 0 243.351 0.958 20 30 BCEDRO C=CCOCCCNC(=O)N[C@H](C)C[NH2+]C ZINC000659597206 411440516 /nfs/dbraw/zinc/44/05/16/411440516.db2.gz OKKHXBVGIMWDBX-SNVBAGLBSA-N 1 0 229.324 0.486 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@H](C)O)nn1 ZINC000657284646 411443395 /nfs/dbraw/zinc/44/33/95/411443395.db2.gz RPGLVIRUXAJWMI-VIFPVBQESA-N 1 0 210.281 0.325 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)N[C@@H](C)C[NH2+]C ZINC000659638110 411445300 /nfs/dbraw/zinc/44/53/00/411445300.db2.gz REQRPYUSBGYIQM-UWVGGRQHSA-N 1 0 229.324 0.078 20 30 BCEDRO C=CCN(C(=O)N[C@H](C)C[NH2+]C)[C@@H](C)COC ZINC000659635948 411445387 /nfs/dbraw/zinc/44/53/87/411445387.db2.gz MIYQARGREAGFGS-MNOVXSKESA-N 1 0 243.351 0.827 20 30 BCEDRO C=CCN(C(=O)N[C@@H](C)C[NH2+]C)[C@H](C)COC ZINC000659635950 411445400 /nfs/dbraw/zinc/44/54/00/411445400.db2.gz MIYQARGREAGFGS-WDEREUQCSA-N 1 0 243.351 0.827 20 30 BCEDRO C=CCCCCNC(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659757430 411449624 /nfs/dbraw/zinc/44/96/24/411449624.db2.gz VNUBJOZTSBDAMF-JTQLQIEISA-N 1 0 241.335 0.183 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000659515186 411468616 /nfs/dbraw/zinc/46/86/16/411468616.db2.gz BDFHDLJJAMNVGB-NSHDSACASA-N 1 0 243.351 0.862 20 30 BCEDRO C=CCN(C(=O)NCC[NH2+]C)[C@H](C)COC ZINC000659515778 411469436 /nfs/dbraw/zinc/46/94/36/411469436.db2.gz XGELHQNHWSSPBT-SNVBAGLBSA-N 1 0 229.324 0.438 20 30 BCEDRO C=CCOCCNC(=O)NC/C=C/C[NH3+] ZINC000659544498 411513178 /nfs/dbraw/zinc/51/31/78/411513178.db2.gz SIXQKPPSWRMZPV-ONEGZZNKSA-N 1 0 213.281 0.003 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@@H](O)CC)nn1 ZINC000657471865 411523032 /nfs/dbraw/zinc/52/30/32/411523032.db2.gz IRELGGGHQYOULM-NSHDSACASA-N 1 0 224.308 0.715 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC[N@@H+](C)C(C)C ZINC000660588859 411604636 /nfs/dbraw/zinc/60/46/36/411604636.db2.gz QDJPGOAZGDTLSM-SNVBAGLBSA-N 1 0 229.324 0.173 20 30 BCEDRO C=CCN1CCC([NH2+][C@H](C)Cn2cncn2)CC1 ZINC000657875490 411615354 /nfs/dbraw/zinc/61/53/54/411615354.db2.gz KYRHTWRHYIRONK-GFCCVEGCSA-N 1 0 249.362 0.907 20 30 BCEDRO C=CCCNC(=O)NCCN1CCOC[C@@H]1C ZINC000660856628 411659044 /nfs/dbraw/zinc/65/90/44/411659044.db2.gz RJPJVQUIVDLMDO-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO CC#CCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000660964775 411688295 /nfs/dbraw/zinc/68/82/95/411688295.db2.gz RGHIZBNSMLETTD-UHFFFAOYSA-N 1 0 209.293 0.213 20 30 BCEDRO Cc1ccc(NCC[N@@H+]2CC[C@@H](O)C2)nc1C#N ZINC000599175414 411693214 /nfs/dbraw/zinc/69/32/14/411693214.db2.gz ARTHHSJKILYUSW-LLVKDONJSA-N 1 0 246.314 0.740 20 30 BCEDRO C=CC[N@@H+](CCN1CCOCC1)[C@@H](C)COC ZINC000661243753 411735978 /nfs/dbraw/zinc/73/59/78/411735978.db2.gz MPVPXMSKAVPKEZ-ZDUSSCGKSA-N 1 0 242.363 0.842 20 30 BCEDRO C=CC[N@H+](C[C@@H]1CCC(=O)N1)[C@@H](C)COC ZINC000661240791 411740894 /nfs/dbraw/zinc/74/08/94/411740894.db2.gz UBLPBXVZCGSNIF-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CCO ZINC000661487734 411785662 /nfs/dbraw/zinc/78/56/62/411785662.db2.gz ICDZJBMRDZBWOX-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CO)C1CCC1 ZINC000661153372 411721132 /nfs/dbraw/zinc/72/11/32/411721132.db2.gz HCXZQDDJGGMQBA-SNVBAGLBSA-N 1 0 212.293 0.039 20 30 BCEDRO COCC#CC[NH2+][C@H](COC)C1CCOCC1 ZINC000661158720 411723043 /nfs/dbraw/zinc/72/30/43/411723043.db2.gz QGOYFPBFXBCZCB-CYBMUJFWSA-N 1 0 241.331 0.667 20 30 BCEDRO CCn1ccc(NC(=O)[C@H]([NH3+])CCCC#N)n1 ZINC000595255156 411808775 /nfs/dbraw/zinc/80/87/75/411808775.db2.gz LNBXZXALDBWOCJ-SECBINFHSA-N 1 0 235.291 0.863 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661595517 411810296 /nfs/dbraw/zinc/81/02/96/411810296.db2.gz CFZTUADJRHXKQT-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661621282 411819845 /nfs/dbraw/zinc/81/98/45/411819845.db2.gz CBVDHJYCDXMNRV-WHOHXGKFSA-N 1 0 240.347 0.626 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661700949 411845936 /nfs/dbraw/zinc/84/59/36/411845936.db2.gz NXZNOVZSUVIJBW-SDDRHHMPSA-N 1 0 211.305 0.892 20 30 BCEDRO CC(=O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000639548534 411855970 /nfs/dbraw/zinc/85/59/70/411855970.db2.gz JLYVCKBAWMNAAH-UHFFFAOYSA-N 1 0 235.291 0.317 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662013937 411941957 /nfs/dbraw/zinc/94/19/57/411941957.db2.gz XBTPGVQEGZPRIL-LLVKDONJSA-N 1 0 223.320 0.697 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662030619 411942025 /nfs/dbraw/zinc/94/20/25/411942025.db2.gz ANNINFJNFZXNND-UTUOFQBUSA-N 1 0 211.305 0.892 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662030618 411940725 /nfs/dbraw/zinc/94/07/25/411940725.db2.gz ANNINFJNFZXNND-TUAOUCFPSA-N 1 0 211.305 0.892 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]1[C@@H](C)O ZINC000661775350 411884001 /nfs/dbraw/zinc/88/40/01/411884001.db2.gz YBPTZISKOCCTAO-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CCC3(COC3)C2)C1=O ZINC000662073052 411973257 /nfs/dbraw/zinc/97/32/57/411973257.db2.gz QPEDGCXSQVJJGW-NSHDSACASA-N 1 0 236.315 0.496 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)N1CCNC1=O ZINC000662081884 411980149 /nfs/dbraw/zinc/98/01/49/411980149.db2.gz SQIZVWIERHMFSF-PHIMTYICSA-N 1 0 249.314 0.721 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCOC[C@@H]1CCCO1 ZINC000662166010 411997428 /nfs/dbraw/zinc/99/74/28/411997428.db2.gz XTQVCWRMBAFSED-MNOVXSKESA-N 1 0 215.293 0.319 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662135917 411999666 /nfs/dbraw/zinc/99/96/66/411999666.db2.gz NZJOSRMPJDARKB-NTZNESFSSA-N 1 0 240.347 0.627 20 30 BCEDRO CC#CCCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662152176 412009152 /nfs/dbraw/zinc/00/91/52/412009152.db2.gz QERJCRBXHCMRIN-CQSZACIVSA-N 1 0 236.359 0.931 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCCNC1=O ZINC000664676921 412009315 /nfs/dbraw/zinc/00/93/15/412009315.db2.gz IQPCCXLVINBAEU-MXWKQRLJSA-N 1 0 224.304 0.588 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662147968 412009780 /nfs/dbraw/zinc/00/97/80/412009780.db2.gz XNAKDNTVUNUXPT-GRYCIOLGSA-N 1 0 213.321 0.874 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NCCCC ZINC000662165280 412014250 /nfs/dbraw/zinc/01/42/50/412014250.db2.gz CRCRKDGFQSPAEM-VHSXEESVSA-N 1 0 214.309 0.428 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000662166737 412014549 /nfs/dbraw/zinc/01/45/49/412014549.db2.gz FOJBKJGWRHVTFJ-NXEZZACHSA-N 1 0 212.293 0.132 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](C=C)CO ZINC000662165632 412014920 /nfs/dbraw/zinc/01/49/20/412014920.db2.gz LPZZTYYKXLKEIN-VXGBXAGGSA-N 1 0 238.331 0.712 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N1CCCCCC1 ZINC000662165980 412015095 /nfs/dbraw/zinc/01/50/95/412015095.db2.gz RBNYTAUFVMKDPZ-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N(CC)CC ZINC000662165333 412015285 /nfs/dbraw/zinc/01/52/85/412015285.db2.gz DTCHHTJSGZIVNC-VHSXEESVSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C[C@H](CO)NCc1nnc2n1CCCC2 ZINC000662168551 412016294 /nfs/dbraw/zinc/01/62/94/412016294.db2.gz KPMSIOFYMCHUJX-SECBINFHSA-N 1 0 222.292 0.251 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCCC[C@@H]1CC ZINC000662167754 412016454 /nfs/dbraw/zinc/01/64/54/412016454.db2.gz OPRWSDHRPAEIDU-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCN(C(C)C)C1=O ZINC000662166814 412016865 /nfs/dbraw/zinc/01/68/65/412016865.db2.gz HSMSDOQOFFMSNN-GHMZBOCLSA-N 1 0 226.320 0.522 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000662168962 412017864 /nfs/dbraw/zinc/01/78/64/412017864.db2.gz BIRSPIVNHLERQZ-GMTAPVOTSA-N 1 0 215.293 0.174 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@H]2CCCC[C@H]2NC1=O ZINC000662168939 412018100 /nfs/dbraw/zinc/01/81/00/412018100.db2.gz ZOSKESXWZQMKTK-DDHJBXDOSA-N 1 0 238.331 0.570 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ccc(Cl)nn1 ZINC000392770694 412042575 /nfs/dbraw/zinc/04/25/75/412042575.db2.gz LFNMZHFDPCDPNJ-UHFFFAOYSA-N 1 0 238.722 1.497 20 30 BCEDRO C#CC[N@@H+](C)CCCNc1ncnc(N)c1OC ZINC000491774603 412043198 /nfs/dbraw/zinc/04/31/98/412043198.db2.gz DIRLRYOPQMDCHH-UHFFFAOYSA-N 1 0 249.318 0.434 20 30 BCEDRO C=CC1CC[NH+](C[C@H]2CNCCO2)CC1 ZINC000662255949 412051935 /nfs/dbraw/zinc/05/19/35/412051935.db2.gz STAIUWUFFVPNIC-GFCCVEGCSA-N 1 0 210.321 0.873 20 30 BCEDRO C=CCCCC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000665047092 412068740 /nfs/dbraw/zinc/06/87/40/412068740.db2.gz NXEYJXJMIJDCFY-ZJUUUORDSA-N 1 0 212.293 0.263 20 30 BCEDRO C=C(C)COCCNc1ncnc(N)c1OC ZINC000573815370 412080937 /nfs/dbraw/zinc/08/09/37/412080937.db2.gz POUNQUDIWMSAEZ-UHFFFAOYSA-N 1 0 238.291 1.072 20 30 BCEDRO C=CCN(C[C@@H]1C[NH2+]CCO1)[C@H](C)COC ZINC000662298833 412086670 /nfs/dbraw/zinc/08/66/70/412086670.db2.gz HQBOKFSYDWFSKK-NEPJUHHUSA-N 1 0 228.336 0.498 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000665161275 412115726 /nfs/dbraw/zinc/11/57/26/412115726.db2.gz BITQNULUYMMYCK-NSHDSACASA-N 1 0 212.293 0.088 20 30 BCEDRO C=CCNc1ncc(C(=O)NC[C@@H](C)[NH3+])s1 ZINC000647021543 412134171 /nfs/dbraw/zinc/13/41/71/412134171.db2.gz RZKADXZJGJAVSC-SSDOTTSWSA-N 1 0 240.332 0.818 20 30 BCEDRO C=CCNc1ncc(C(=O)N[C@H](C)C[NH3+])s1 ZINC000582904216 412134761 /nfs/dbraw/zinc/13/47/61/412134761.db2.gz HGTABRXQZMRPKJ-SSDOTTSWSA-N 1 0 240.332 0.818 20 30 BCEDRO C=CC[C@@]1(C(=O)N2CCO[C@@H](C)C2)CCC[NH2+]1 ZINC000662458847 412181350 /nfs/dbraw/zinc/18/13/50/412181350.db2.gz SARMUUFNHNZAQV-AAEUAGOBSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[C@]1(C(=O)NCC[C@H](O)CC)CCC[NH2+]1 ZINC000662554951 412214730 /nfs/dbraw/zinc/21/47/30/412214730.db2.gz DPIGSWJBCNLQOO-DGCLKSJQSA-N 1 0 240.347 0.962 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNc2cc(C#N)ncn2)C1 ZINC000594592323 412194857 /nfs/dbraw/zinc/19/48/57/412194857.db2.gz PZAUUTQRLSCINV-HOMQSWHASA-N 1 0 231.303 1.100 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNc2cc(C#N)cnn2)C1 ZINC000596301160 412196696 /nfs/dbraw/zinc/19/66/96/412196696.db2.gz ZSJBIYPWJOWSHW-HOMQSWHASA-N 1 0 231.303 1.100 20 30 BCEDRO C=CC[C@@]1(C(=O)NCc2cc[nH]n2)CCC[NH2+]1 ZINC000662507512 412198940 /nfs/dbraw/zinc/19/89/40/412198940.db2.gz OUWNAZNWHWMGQI-LBPRGKRZSA-N 1 0 234.303 0.724 20 30 BCEDRO C=CC[C@@]1(C(=O)NCc2cnn(C)c2)CCC[NH2+]1 ZINC000662530702 412207395 /nfs/dbraw/zinc/20/73/95/412207395.db2.gz AOTCHNLTNOMJAA-ZDUSSCGKSA-N 1 0 248.330 0.735 20 30 BCEDRO C[C@@H]1C[C@@H](Nc2cc(C#N)cnn2)C[N@@H+]1C1CC1 ZINC000596157308 412148034 /nfs/dbraw/zinc/14/80/34/412148034.db2.gz XWHUATUWXMYBLZ-MWLCHTKSSA-N 1 0 243.314 1.385 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H](CO)[C@H]1C ZINC000665270708 412213501 /nfs/dbraw/zinc/21/35/01/412213501.db2.gz UXAPFNWFFNJQJU-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO C=CC[C@]1(C(=O)NC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000662432304 412169945 /nfs/dbraw/zinc/16/99/45/412169945.db2.gz PBHZMGYNEVPVJN-WCQYABFASA-N 1 0 238.331 0.980 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662433660 412171116 /nfs/dbraw/zinc/17/11/16/412171116.db2.gz NXSAUHQWRQIPEG-MNOVXSKESA-N 1 0 224.304 0.551 20 30 BCEDRO N#Cc1cc(NC[C@@H]2CC[N@@H+](C3CC3)C2)ncn1 ZINC000385131733 412254452 /nfs/dbraw/zinc/25/44/52/412254452.db2.gz UYMPPNMWDNBAIZ-JTQLQIEISA-N 1 0 243.314 1.244 20 30 BCEDRO N#Cc1ccc(NCC[NH+]2CCCC2)nc1N ZINC000594548380 412271192 /nfs/dbraw/zinc/27/11/92/412271192.db2.gz GKFPLKICDKTSCM-UHFFFAOYSA-N 1 0 231.303 1.043 20 30 BCEDRO N#Cc1ccc(NCCC[NH2+]C2CC2)nc1N ZINC000596012909 412271967 /nfs/dbraw/zinc/27/19/67/412271967.db2.gz CKZSLSIFOYHKSV-UHFFFAOYSA-N 1 0 231.303 1.089 20 30 BCEDRO C[NH2+]C(C)(C)CNC(=O)Nc1cc(C)n(C)n1 ZINC000330684960 412289145 /nfs/dbraw/zinc/28/91/45/412289145.db2.gz KQLFDXFYTCDIPU-UHFFFAOYSA-N 1 0 239.323 1.052 20 30 BCEDRO N#Cc1cnnc(N[C@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000596118716 412279259 /nfs/dbraw/zinc/27/92/59/412279259.db2.gz BKIVBAMQVRLCKP-LBPRGKRZSA-N 1 0 243.314 1.244 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662721346 412282978 /nfs/dbraw/zinc/28/29/78/412282978.db2.gz VBKXSIQBKJANSL-ZBOXLXRLSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[C@]1(C(=O)NCC2(CO)CC2)CCC[NH2+]1 ZINC000662595288 412234090 /nfs/dbraw/zinc/23/40/90/412234090.db2.gz ZYQNBLUNUIKZKE-CYBMUJFWSA-N 1 0 238.331 0.573 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662615702 412243554 /nfs/dbraw/zinc/24/35/54/412243554.db2.gz PDZIBDPCTPTRGV-AEJSXWLSSA-N 1 0 212.293 0.431 20 30 BCEDRO C=CCCCN(C)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662616946 412243607 /nfs/dbraw/zinc/24/36/07/412243607.db2.gz QJPXLJDEUMHIEW-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CC[C@@]1(C(=O)NCCOCCF)CCC[NH2+]1 ZINC000663002179 412366551 /nfs/dbraw/zinc/36/65/51/412366551.db2.gz CKLKJMFAVCZTJZ-LBPRGKRZSA-N 1 0 244.310 0.787 20 30 BCEDRO C=CCN(C(=O)C[C@@H](C)[NH3+])[C@H](C)COC ZINC000662855418 412325876 /nfs/dbraw/zinc/32/58/76/412325876.db2.gz SOLGSAWHKSNKSR-NXEZZACHSA-N 1 0 214.309 0.773 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000662872359 412329671 /nfs/dbraw/zinc/32/96/71/412329671.db2.gz DGSCPSWIYBXFGA-MGCOHNPYSA-N 1 0 212.293 0.433 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CC[NH+](CCC)CC1 ZINC000665463881 412329944 /nfs/dbraw/zinc/32/99/44/412329944.db2.gz QOAPEGYWJSCISH-NSHDSACASA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCC1(NC(=O)[C@H]2C[C@@H]([NH3+])C2)CCOCC1 ZINC000662875674 412332038 /nfs/dbraw/zinc/33/20/38/412332038.db2.gz WNRPYCIBKNQIFG-PHIMTYICSA-N 1 0 238.331 0.965 20 30 BCEDRO C=CCC1(NC(=O)[C@H]2CC[NH2+]2)CCOCC1 ZINC000662875926 412332800 /nfs/dbraw/zinc/33/28/00/412332800.db2.gz YILJVESUWGPPOD-SNVBAGLBSA-N 1 0 224.304 0.590 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCCC[NH+]1CCCCC1 ZINC000665487756 412334732 /nfs/dbraw/zinc/33/47/32/412334732.db2.gz KNASVIBLOXFGJL-ZDUSSCGKSA-N 1 0 240.347 0.916 20 30 BCEDRO C=CCC1(NC(=O)[C@@H]([NH3+])COC)CCCC1 ZINC000662887966 412336077 /nfs/dbraw/zinc/33/60/77/412336077.db2.gz BSRRBJXZNFDWFZ-JTQLQIEISA-N 1 0 226.320 0.965 20 30 BCEDRO Cc1cc(NC(=O)CC[NH2+]C[C@@H](C)C#N)no1 ZINC000565535464 412341788 /nfs/dbraw/zinc/34/17/88/412341788.db2.gz HVCLVBDNBQOMAU-QMMMGPOBSA-N 1 0 236.275 1.061 20 30 BCEDRO C=CCOCCNC(=O)C1([NH2+]C2CC2)CCC1 ZINC000662922671 412345817 /nfs/dbraw/zinc/34/58/17/412345817.db2.gz VKLCMCXAMAGNNU-UHFFFAOYSA-N 1 0 238.331 0.980 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC1CC[NH+](CC)CC1 ZINC000665530663 412349876 /nfs/dbraw/zinc/34/98/76/412349876.db2.gz XWJARVPGAPOQRC-LBPRGKRZSA-N 1 0 226.320 0.524 20 30 BCEDRO COCCC[N@H+](C)CCNc1ccc(C#N)nn1 ZINC000611241235 412359168 /nfs/dbraw/zinc/35/91/68/412359168.db2.gz DSTNTQVKTFILSL-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO COCC[N@H+](C)CCCNc1cc(C#N)cnn1 ZINC000596073289 412365734 /nfs/dbraw/zinc/36/57/34/412365734.db2.gz INMIBVBRTWGMBP-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO CC(C)[N@H+](C)CCNc1cc(C#N)ncn1 ZINC000380597321 412294453 /nfs/dbraw/zinc/29/44/53/412294453.db2.gz UJUDXWQTUAGSPV-UHFFFAOYSA-N 1 0 219.292 1.100 20 30 BCEDRO C=CC[C@@]1(C(=O)NCc2c[nH]cn2)CCC[NH2+]1 ZINC000662790658 412303838 /nfs/dbraw/zinc/30/38/38/412303838.db2.gz DYMDWUSBDKMYJO-LBPRGKRZSA-N 1 0 234.303 0.724 20 30 BCEDRO C=CC[C@@]1(C(=O)NC[C@H](C)OC)CCC[NH2+]1 ZINC000662791010 412304063 /nfs/dbraw/zinc/30/40/63/412304063.db2.gz IAQJPJXDUCDDTK-JQWIXIFHSA-N 1 0 226.320 0.836 20 30 BCEDRO CN(C)C(=O)CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054828034 172360259 /nfs/dbraw/zinc/36/02/59/172360259.db2.gz BQHHYQLPYLKQRW-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO CN(C)C(=O)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336772704 172360833 /nfs/dbraw/zinc/36/08/33/172360833.db2.gz XZYJALNHGOVIBS-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C[NH+](C)C(C)(C)CNC(=O)c1ccc(C#N)[nH]1 ZINC000151457427 172395684 /nfs/dbraw/zinc/39/56/84/172395684.db2.gz LJEBXLLREYQYFY-UHFFFAOYSA-N 1 0 234.303 0.956 20 30 BCEDRO CN(CC[NH+](C)C)c1ccc(C#N)nc1 ZINC000149434924 172455557 /nfs/dbraw/zinc/45/55/57/172455557.db2.gz NYFRJRFQOUJCFL-UHFFFAOYSA-N 1 0 204.277 0.951 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)c2cnccc2C#N)CC1 ZINC000332243120 173014245 /nfs/dbraw/zinc/01/42/45/173014245.db2.gz WDVVFJJPUVNFKC-UHFFFAOYSA-N 1 0 244.298 0.731 20 30 BCEDRO C[N@@H+]1CCCN(c2ccc(C#N)nn2)CC1 ZINC000301929519 173016955 /nfs/dbraw/zinc/01/69/55/173016955.db2.gz NVJUOMISJZCCRR-UHFFFAOYSA-N 1 0 217.276 0.490 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000175442437 173031623 /nfs/dbraw/zinc/03/16/23/173031623.db2.gz CTLOKPJOXFKOOV-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO CN(c1nccc(C#N)n1)[C@H]1CCC[N@H+](C)C1 ZINC000231900645 173045151 /nfs/dbraw/zinc/04/51/51/173045151.db2.gz GGXJMUBOLQDQGY-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000115384202 173056274 /nfs/dbraw/zinc/05/62/74/173056274.db2.gz ROEICHVKYWGSHR-LBPRGKRZSA-N 1 0 244.298 0.777 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000193251921 173057344 /nfs/dbraw/zinc/05/73/44/173057344.db2.gz UZSNUFMRFWDLRJ-LBPRGKRZSA-N 1 0 244.298 0.777 20 30 BCEDRO C[NH+]1CCN(CCNc2cccc(C#N)n2)CC1 ZINC000080117345 173081382 /nfs/dbraw/zinc/08/13/82/173081382.db2.gz CKFPORHYNBUDFJ-UHFFFAOYSA-N 1 0 245.330 0.613 20 30 BCEDRO CN1CC[NH+](CCCn2ccnc2C#N)CC1 ZINC000336718002 173081454 /nfs/dbraw/zinc/08/14/54/173081454.db2.gz ZEDQNKQYMHUTTF-UHFFFAOYSA-N 1 0 233.319 0.392 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3cccnc3C#N)C[C@H]21 ZINC000329704730 173105473 /nfs/dbraw/zinc/10/54/73/173105473.db2.gz IXLASTHSJXSDST-CHWSQXEVSA-N 1 0 244.298 0.472 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000181280133 173116002 /nfs/dbraw/zinc/11/60/02/173116002.db2.gz SVBDLKXEVBULED-VIFPVBQESA-N 1 0 232.287 0.568 20 30 BCEDRO C[N@@H+]1CC[C@@](O)(CNc2ncccc2C#N)C1 ZINC000358301581 173138971 /nfs/dbraw/zinc/13/89/71/173138971.db2.gz JDHAQTKYKNWUBS-GFCCVEGCSA-N 1 0 232.287 0.432 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3ccc(C#N)cn3)C[C@H]2C1 ZINC000302869724 173199664 /nfs/dbraw/zinc/19/96/64/173199664.db2.gz XQUFULYXIOGWES-TXEJJXNPSA-N 1 0 228.299 0.951 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3ncccc3C#N)C[C@H]2C1 ZINC000278670743 173200583 /nfs/dbraw/zinc/20/05/83/173200583.db2.gz GBGDQHIJTQTDAN-TXEJJXNPSA-N 1 0 228.299 0.951 20 30 BCEDRO CNC(=O)CCC[NH2+]Cc1ccc(C#N)o1 ZINC000266204939 173241765 /nfs/dbraw/zinc/24/17/65/173241765.db2.gz MHZIQMVLPNXXGS-UHFFFAOYSA-N 1 0 221.260 0.767 20 30 BCEDRO CNC(=O)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000336762827 173277294 /nfs/dbraw/zinc/27/72/94/173277294.db2.gz LTYBLVFCDCQWQZ-UHFFFAOYSA-N 1 0 217.272 0.702 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C#N)o1 ZINC000093899021 173294024 /nfs/dbraw/zinc/29/40/24/173294024.db2.gz ASEVLZZMXOCHJV-VIFPVBQESA-N 1 0 235.287 0.965 20 30 BCEDRO C[NH2+]CCNC(=O)c1ccc(C#N)cc1 ZINC000054244135 173355950 /nfs/dbraw/zinc/35/59/50/173355950.db2.gz HPEXWNUUUBQFCF-UHFFFAOYSA-N 1 0 203.245 0.507 20 30 BCEDRO C#CCSCC[NH2+]Cc1cnnn1CC ZINC000841863382 583506452 /nfs/dbraw/zinc/50/64/52/583506452.db2.gz AGYDAVSUXCJFFW-UHFFFAOYSA-N 1 0 224.333 0.754 20 30 BCEDRO COCC[N@H+](C)CCCNc1nccnc1C#N ZINC000263812625 174275939 /nfs/dbraw/zinc/27/59/39/174275939.db2.gz NQDQAERLNGELDT-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO COCC[N@H+](C)CCNc1cccc(C#N)n1 ZINC000081596101 174279053 /nfs/dbraw/zinc/27/90/53/174279053.db2.gz RTAGUHVWBCTBAK-UHFFFAOYSA-N 1 0 234.303 0.943 20 30 BCEDRO COCC[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000276806053 174280816 /nfs/dbraw/zinc/28/08/16/174280816.db2.gz WVUGNBVJYLAFQO-UHFFFAOYSA-N 1 0 207.277 0.975 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C#N)c(O)c1 ZINC000346229245 175699824 /nfs/dbraw/zinc/69/98/24/175699824.db2.gz RZFJBEXWOFRNCD-VIFPVBQESA-N 1 0 247.298 0.944 20 30 BCEDRO C[C@@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC000020052657 176087366 /nfs/dbraw/zinc/08/73/66/176087366.db2.gz QGWWIJPKMMPPOK-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@@H]1CCC[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000285592197 176131764 /nfs/dbraw/zinc/13/17/64/176131764.db2.gz UQWUBJRKRHTPIS-ZJUUUORDSA-N 1 0 219.292 0.928 20 30 BCEDRO C[C@@H]1CC[N@H+](C)CCN1c1cnc(C#N)cn1 ZINC000355378559 176166207 /nfs/dbraw/zinc/16/62/07/176166207.db2.gz RGUPYKAEPIUJAL-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000668296954 487633072 /nfs/dbraw/zinc/63/30/72/487633072.db2.gz CCONIPMCWQHSOW-CMPLNLGQSA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@H](CNc1nccnc1C#N)[NH+](C)C ZINC000054377643 176688281 /nfs/dbraw/zinc/68/82/81/176688281.db2.gz SZWNYLPLTUDIHR-MRVPVSSYSA-N 1 0 205.265 0.710 20 30 BCEDRO C[C@H]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000285406770 177205466 /nfs/dbraw/zinc/20/54/66/177205466.db2.gz FPUMFDGHOXRQKL-UWVGGRQHSA-N 1 0 219.292 0.928 20 30 BCEDRO C[C@H]1CO[C@@H](CO)CN1Cc1cc(C#N)n(C)c1 ZINC000361556948 177300288 /nfs/dbraw/zinc/30/02/88/177300288.db2.gz MVVIUBGMBLMTSV-GXFFZTMASA-N 1 0 249.314 0.478 20 30 BCEDRO C[C@H]1C[C@H](N(C)C(=O)CC#N)CC[N@@H+]1C ZINC000356818069 177363129 /nfs/dbraw/zinc/36/31/29/177363129.db2.gz GMZJRIKKSCCCHE-VHSXEESVSA-N 1 0 209.293 0.841 20 30 BCEDRO C[C@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000282502290 177393972 /nfs/dbraw/zinc/39/39/72/177393972.db2.gz WUGXGJCLIWLZDJ-BXKDBHETSA-N 1 0 246.314 0.653 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(C)(C#N)C1 ZINC000487583285 225316949 /nfs/dbraw/zinc/31/69/49/225316949.db2.gz OSGTXNWATBLHPA-ZJUUUORDSA-N 1 0 221.304 0.556 20 30 BCEDRO CO[C@H]1CN(CC2(C#N)CC2)C[C@@H]1OC ZINC000488000486 225340708 /nfs/dbraw/zinc/34/07/08/225340708.db2.gz QECOITSZUDCLKP-UWVGGRQHSA-N 1 0 210.277 0.636 20 30 BCEDRO C[NH+](C)C[C@H]1CCCN1c1cncc(C#N)n1 ZINC000401437598 226356780 /nfs/dbraw/zinc/35/67/80/226356780.db2.gz YGHQIOVXYVBXPU-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000674934251 487658198 /nfs/dbraw/zinc/65/81/98/487658198.db2.gz VDOLGRIKEJTGCJ-UWVGGRQHSA-N 1 0 211.309 0.954 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCOCCO)cc1F ZINC000404144686 229376586 /nfs/dbraw/zinc/37/65/86/229376586.db2.gz NUDRGEWVEBPOJY-UHFFFAOYSA-N 1 0 238.262 0.796 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000671708389 487700208 /nfs/dbraw/zinc/70/02/08/487700208.db2.gz PHSDPAAKEAPYRR-ZJUUUORDSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000681098773 487721906 /nfs/dbraw/zinc/72/19/06/487721906.db2.gz DOVKARFNYYKZHO-NWDGAFQWSA-N 1 0 227.304 0.415 20 30 BCEDRO O=C(NCC[NH+]1CCC1)NC[C@@H]1CCCO1 ZINC000328658487 487725351 /nfs/dbraw/zinc/72/53/51/487725351.db2.gz RDBMCWDYVYGNMH-JTQLQIEISA-N 1 0 227.308 0.375 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000668430175 487741842 /nfs/dbraw/zinc/74/18/42/487741842.db2.gz BPANLNOIWXUJOX-GRYCIOLGSA-N 1 0 240.347 0.912 20 30 BCEDRO C=CCC[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000669775586 487749564 /nfs/dbraw/zinc/74/95/64/487749564.db2.gz ZHQJAPRLRVKGBJ-UHFFFAOYSA-N 1 0 235.335 0.822 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000665881377 487762435 /nfs/dbraw/zinc/76/24/35/487762435.db2.gz UDTZBHZPXOMJMM-LBPRGKRZSA-N 1 0 240.347 0.865 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000668457327 487781246 /nfs/dbraw/zinc/78/12/46/487781246.db2.gz DFNIQXACSXERRF-WCQYABFASA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000666318166 487786345 /nfs/dbraw/zinc/78/63/45/487786345.db2.gz WZWMHLJMIWIRKE-YPMHNXCESA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000666379339 487795093 /nfs/dbraw/zinc/79/50/93/487795093.db2.gz OIRCSHTXSVGVSR-SRVKXCTJSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000668012509 487796346 /nfs/dbraw/zinc/79/63/46/487796346.db2.gz DARBHCZRJGWQES-NXEZZACHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000666413429 487802786 /nfs/dbraw/zinc/80/27/86/487802786.db2.gz QDJOTHUTSCWHQK-ZDUSSCGKSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000666428258 487804720 /nfs/dbraw/zinc/80/47/20/487804720.db2.gz LVSZJMRXWUBCDF-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@H](O)CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592153097 487807246 /nfs/dbraw/zinc/80/72/46/487807246.db2.gz IWXQSPKMWBNIDJ-WDEREUQCSA-N 1 0 212.293 0.498 20 30 BCEDRO Cn1nccc1CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592153186 487807774 /nfs/dbraw/zinc/80/77/74/487807774.db2.gz KFXJDEQTJFHQLS-GFCCVEGCSA-N 1 0 234.303 0.313 20 30 BCEDRO CCn1nccc1CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592153340 487807854 /nfs/dbraw/zinc/80/78/54/487807854.db2.gz MANKIMYTOITZDP-CYBMUJFWSA-N 1 0 248.330 0.796 20 30 BCEDRO C#CCN(CC)C(=O)NCC[NH2+]C1CC1 ZINC000841930078 587986025 /nfs/dbraw/zinc/98/60/25/587986025.db2.gz QZSXBBGXRUABPB-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO C#CCN(CC#CC)C[C@H]1CCC(=O)O1 ZINC000851783396 588627637 /nfs/dbraw/zinc/62/76/37/588627637.db2.gz BAUQFJVDKGBDIE-LLVKDONJSA-N 1 0 205.257 0.651 20 30 BCEDRO CCC#C[C@@H](C)N1CC[NH+](C[C@H](C)O)CC1 ZINC000681699300 487842629 /nfs/dbraw/zinc/84/26/29/487842629.db2.gz VFAHNRRCYQGOSU-OLZOCXBDSA-N 1 0 224.348 0.787 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)CCN(C)C(=O)OC ZINC000852570313 588691260 /nfs/dbraw/zinc/69/12/60/588691260.db2.gz VUOAWBLLKXZKPB-SNVBAGLBSA-N 1 0 230.308 0.553 20 30 BCEDRO COCC#CC[NH+]1CCC(Cn2cncn2)CC1 ZINC000681703937 487843139 /nfs/dbraw/zinc/84/31/39/487843139.db2.gz RRFBBJOVSAIYLJ-UHFFFAOYSA-N 1 0 248.330 0.640 20 30 BCEDRO C#CCCC[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893091572 633827600 /nfs/dbraw/zinc/82/76/00/633827600.db2.gz DPBHBXYVUJDGMQ-WDEREUQCSA-N 1 0 229.345 0.813 20 30 BCEDRO C=CCOCCNC(=O)C1CC[NH2+]CC1 ZINC000379818824 487849565 /nfs/dbraw/zinc/84/95/65/487849565.db2.gz RTAORRYOFNKXMY-UHFFFAOYSA-N 1 0 212.293 0.305 20 30 BCEDRO N#CCCOCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595609616 487871548 /nfs/dbraw/zinc/87/15/48/487871548.db2.gz ZMBCTZSHYGHWNI-GFCCVEGCSA-N 1 0 249.318 0.530 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)NCCCC#N ZINC000595579025 487872292 /nfs/dbraw/zinc/87/22/92/487872292.db2.gz FVXXBPIGFJATHV-UHFFFAOYSA-N 1 0 224.308 0.493 20 30 BCEDRO C=CCCC(=O)N1CC[N@H+](CCO)C(C)(C)C1 ZINC000682005856 487877914 /nfs/dbraw/zinc/87/79/14/487877914.db2.gz BJNJEQXLFNXLKF-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)CC)[C@H](C)C1 ZINC000941692367 643116438 /nfs/dbraw/zinc/11/64/38/643116438.db2.gz IVEXAVBACWEUPG-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000307751007 643623361 /nfs/dbraw/zinc/62/33/61/643623361.db2.gz MCUDSZODNUEXAT-QMMMGPOBSA-N 1 0 202.685 0.807 20 30 BCEDRO COCC#CC[NH+]1CCC(CC(N)=O)CC1 ZINC000677132960 487890823 /nfs/dbraw/zinc/89/08/23/487890823.db2.gz AXNDNNVQVFBQAC-UHFFFAOYSA-N 1 0 224.304 0.224 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000682089485 487908073 /nfs/dbraw/zinc/90/80/73/487908073.db2.gz PZSZDNQZDLCXCM-NSHDSACASA-N 1 0 211.305 0.729 20 30 BCEDRO C=CCCn1cc(CN2CCC(O)CC2)nn1 ZINC000653489887 487916752 /nfs/dbraw/zinc/91/67/52/487916752.db2.gz JNKUBBSUBDUJEZ-UHFFFAOYSA-N 1 0 236.319 0.811 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669065402 487925494 /nfs/dbraw/zinc/92/54/94/487925494.db2.gz MELBXHVHPPABEN-TUAOUCFPSA-N 1 0 240.347 0.865 20 30 BCEDRO C=C[C@H](O)C(=O)Nc1cccnc1N(C)C ZINC000667000883 487926115 /nfs/dbraw/zinc/92/61/15/487926115.db2.gz SDQPIQRSEHPIJL-VIFPVBQESA-N 1 0 221.260 0.633 20 30 BCEDRO CC[N@@H+]1CCN(c2cc(C#N)ncn2)[C@@H](C)C1 ZINC000561356752 323000264 /nfs/dbraw/zinc/00/02/64/323000264.db2.gz AHENTYJVSUOVAA-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C#CCNC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000246289861 323008526 /nfs/dbraw/zinc/00/85/26/323008526.db2.gz KTSBDQKVEXRZMV-GHMZBOCLSA-N 1 0 223.320 0.601 20 30 BCEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cc(C#N)ncn1 ZINC000562419601 323019317 /nfs/dbraw/zinc/01/93/17/323019317.db2.gz NBBQTNICAYYNIM-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO C=CCCCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000562538773 323023751 /nfs/dbraw/zinc/02/37/51/323023751.db2.gz QHEXNJAXMXNQNU-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO CN(CCC[NH+](C)C)c1cncc(C#N)n1 ZINC000401396943 323033382 /nfs/dbraw/zinc/03/33/82/323033382.db2.gz NGXULFGRQHIVHS-UHFFFAOYSA-N 1 0 219.292 0.736 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)CCn1cccn1 ZINC000289578568 323036145 /nfs/dbraw/zinc/03/61/45/323036145.db2.gz BJFASKPLENATCB-GHMZBOCLSA-N 1 0 209.293 0.798 20 30 BCEDRO CO[C@H](C)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000569803212 323041127 /nfs/dbraw/zinc/04/11/27/323041127.db2.gz HSEAQNFFFNCAIZ-VXGBXAGGSA-N 1 0 243.351 0.207 20 30 BCEDRO CC[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000570175837 323052180 /nfs/dbraw/zinc/05/21/80/323052180.db2.gz MIBNXIIXUCSWLH-UHFFFAOYSA-N 1 0 231.303 0.677 20 30 BCEDRO C=CCNC(=O)CSC[C@H]1CN(C)CCO1 ZINC000570332007 323056224 /nfs/dbraw/zinc/05/62/24/323056224.db2.gz XQKBUAOAFQBZSD-SNVBAGLBSA-N 1 0 244.360 0.352 20 30 BCEDRO CO[C@H](C[NH3+])C(=O)N1CCC(CCC#N)CC1 ZINC000570929115 323074389 /nfs/dbraw/zinc/07/43/89/323074389.db2.gz CTNRHAQSSCAQLV-LLVKDONJSA-N 1 0 239.319 0.502 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000563002666 323079269 /nfs/dbraw/zinc/07/92/69/323079269.db2.gz HVEQXUSKAMUUOS-WUHRBBMRSA-N 1 0 237.347 0.581 20 30 BCEDRO CC(C)COC[C@@H](O)C[NH2+]CCCC#N ZINC000563012660 323079830 /nfs/dbraw/zinc/07/98/30/323079830.db2.gz BPAPGOBIZWQDOW-NSHDSACASA-N 1 0 214.309 0.913 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](CCCC)CCCO ZINC000182137878 323081830 /nfs/dbraw/zinc/08/18/30/323081830.db2.gz SXLMHNFRMNNUFV-GFCCVEGCSA-N 1 0 240.347 0.609 20 30 BCEDRO N#CCc1ccc(CNC(=O)C2([NH3+])CC2)cc1 ZINC000563170797 323099799 /nfs/dbraw/zinc/09/97/99/323099799.db2.gz UMTIRIUWGLUDSL-UHFFFAOYSA-N 1 0 229.283 0.860 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000570960287 323101557 /nfs/dbraw/zinc/10/15/57/323101557.db2.gz OFXJCSDGQVVNCN-NXEZZACHSA-N 1 0 211.309 0.777 20 30 BCEDRO CN(CCC[NH3+])C(=O)NCC1(CC#N)CC1 ZINC000563452520 323126919 /nfs/dbraw/zinc/12/69/19/323126919.db2.gz XIEFXTCROASUNA-UHFFFAOYSA-N 1 0 224.308 0.670 20 30 BCEDRO C[N@H+](Cc1cccc(C#N)c1)CC1(CO)COC1 ZINC000132810990 323133749 /nfs/dbraw/zinc/13/37/49/323133749.db2.gz YAYXGDWTFOGFGE-UHFFFAOYSA-N 1 0 246.310 0.999 20 30 BCEDRO N#Cc1cncc(N2CC[C@@]3(C2)CCC[NH2+]C3)n1 ZINC000571165609 323137299 /nfs/dbraw/zinc/13/72/99/323137299.db2.gz ISUJGNOUBXKOTA-ZDUSSCGKSA-N 1 0 243.314 0.928 20 30 BCEDRO C[C@H](C#N)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000571316012 323141279 /nfs/dbraw/zinc/14/12/79/323141279.db2.gz RMFZVZWGHZGVGL-MWLCHTKSSA-N 1 0 211.309 0.191 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@](C)(COC)C1 ZINC000451195355 323142815 /nfs/dbraw/zinc/14/28/15/323142815.db2.gz UKXXMWOCWIMTJL-GFCCVEGCSA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCCCNC(=O)C(=O)NCCC[NH2+]CC ZINC000571507914 323146196 /nfs/dbraw/zinc/14/61/96/323146196.db2.gz ULRVTXRGAVDRLO-UHFFFAOYSA-N 1 0 241.335 0.185 20 30 BCEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000305097330 323167145 /nfs/dbraw/zinc/16/71/45/323167145.db2.gz VKEUUJGVPNFCCE-JTQLQIEISA-N 1 0 228.336 0.770 20 30 BCEDRO C[C@H](C#N)CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000535323157 323170807 /nfs/dbraw/zinc/17/08/07/323170807.db2.gz YUXDOOCFNAQQOH-NXEZZACHSA-N 1 0 241.360 0.700 20 30 BCEDRO C#CC[N@@H+](CCC(=O)OC)C[C@@H]1CCCO1 ZINC000113200373 323173611 /nfs/dbraw/zinc/17/36/11/323173611.db2.gz AIUBTRJJWHBUFU-NSHDSACASA-N 1 0 225.288 0.664 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](C(=O)NCC2CC2)C1 ZINC000051908788 323191846 /nfs/dbraw/zinc/19/18/46/323191846.db2.gz GRAZXSYWKZLDJV-LBPRGKRZSA-N 1 0 220.316 0.858 20 30 BCEDRO N#Cc1cc(NCC[C@H]2CCC[NH2+]2)ncn1 ZINC000309398798 323372603 /nfs/dbraw/zinc/37/26/03/323372603.db2.gz GXQGWAIVDHAWMA-SECBINFHSA-N 1 0 217.276 0.902 20 30 BCEDRO N#Cc1ncn(CC[NH2+]C[C@@H]2CCSC2)n1 ZINC000309554261 323425166 /nfs/dbraw/zinc/42/51/66/323425166.db2.gz HAUQYBOTCBNWHS-VIFPVBQESA-N 1 0 237.332 0.492 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCN(C(C)=O)CC1 ZINC000677047349 487957804 /nfs/dbraw/zinc/95/78/04/487957804.db2.gz WQFJCLCDFXFAAO-LLVKDONJSA-N 1 0 212.293 0.088 20 30 BCEDRO CN(CC[NH+](C)C)c1ccc(C#N)c(N)n1 ZINC000571775953 323479350 /nfs/dbraw/zinc/47/93/50/323479350.db2.gz MZJLYTGUQSJPKZ-UHFFFAOYSA-N 1 0 219.292 0.533 20 30 BCEDRO C[C@H](C[NH2+]CCCC#N)S(C)(=O)=O ZINC000572114830 323541651 /nfs/dbraw/zinc/54/16/51/323541651.db2.gz JXKANTRGGDRWJW-MRVPVSSYSA-N 1 0 204.295 0.313 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000491305896 324155861 /nfs/dbraw/zinc/15/58/61/324155861.db2.gz KNPHBBBSUQYCPZ-QJPTWQEYSA-N 1 0 238.331 0.265 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)[C@H](C)CC ZINC000491737128 324158643 /nfs/dbraw/zinc/15/86/43/324158643.db2.gz VOVTUDNGRBTGIU-GHMZBOCLSA-N 1 0 226.320 0.123 20 30 BCEDRO C#CCN(CC(=O)NC[C@H]1CCCO1)C1CC1 ZINC000491750889 324160095 /nfs/dbraw/zinc/16/00/95/324160095.db2.gz SWUHPKLKNWPRBL-GFCCVEGCSA-N 1 0 236.315 0.379 20 30 BCEDRO CS(=O)(=O)NCC[NH+]1CCC(CC#N)CC1 ZINC000541952364 325000834 /nfs/dbraw/zinc/00/08/34/325000834.db2.gz QTCQJNZQOBZBOS-UHFFFAOYSA-N 1 0 245.348 0.161 20 30 BCEDRO C[N@@H+]1CCC[C@@H](CNC(=O)NCCCC#N)C1 ZINC000544112660 325131266 /nfs/dbraw/zinc/13/12/66/325131266.db2.gz BSOHXZBPAJKJKV-NSHDSACASA-N 1 0 238.335 0.931 20 30 BCEDRO C=C(C)COCCNC(=O)NCC[NH+](C)C ZINC000133893044 325327060 /nfs/dbraw/zinc/32/70/60/325327060.db2.gz FKLIXHZNOGVKRF-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000547404738 325351565 /nfs/dbraw/zinc/35/15/65/325351565.db2.gz KDTRNCDANCOUIL-TUAOUCFPSA-N 1 0 240.347 0.912 20 30 BCEDRO C[NH+](C)C1CN(C(=O)C2(C#N)CCC2)C1 ZINC000134936246 325383733 /nfs/dbraw/zinc/38/37/33/325383733.db2.gz ZCAVKFKUEJRAPJ-UHFFFAOYSA-N 1 0 207.277 0.453 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@H]2CC[C@H]2C2CC2)n1 ZINC000554377140 325717352 /nfs/dbraw/zinc/71/73/52/325717352.db2.gz JDLFCMXXHXROAN-QWRGUYRKSA-N 1 0 231.303 0.928 20 30 BCEDRO C=CCn1cc(CN[C@H]2CC[NH2+]CC[C@@H]2C)nn1 ZINC000566103821 325995754 /nfs/dbraw/zinc/99/57/54/325995754.db2.gz NCTPOOMRRODBHP-AAEUAGOBSA-N 1 0 249.362 0.942 20 30 BCEDRO CC(=O)NCC[N@@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000566186088 326008584 /nfs/dbraw/zinc/00/85/84/326008584.db2.gz HCTWUOOJNHLZOD-QWRGUYRKSA-N 1 0 209.293 0.747 20 30 BCEDRO N#CCCC1CCN(C(=O)CC[NH3+])CC1 ZINC000566258781 326025643 /nfs/dbraw/zinc/02/56/43/326025643.db2.gz CSMOTWUSASEEAW-UHFFFAOYSA-N 1 0 209.293 0.878 20 30 BCEDRO C[C@H](C#N)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000566436997 326047116 /nfs/dbraw/zinc/04/71/16/326047116.db2.gz JGMPLEIJHLWYJB-SNVBAGLBSA-N 1 0 249.318 0.334 20 30 BCEDRO N#Cc1cccc(OCCn2nnnc2C[NH3+])c1 ZINC000567382804 326180328 /nfs/dbraw/zinc/18/03/28/326180328.db2.gz YOTUAMJXISWXMN-UHFFFAOYSA-N 1 0 244.258 0.082 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N(CC#N)CC#N)C1 ZINC000567484313 326202116 /nfs/dbraw/zinc/20/21/16/326202116.db2.gz KVCDCGCVORYOKA-SNVBAGLBSA-N 1 0 220.276 0.204 20 30 BCEDRO CSC[C@H](O)C[NH2+]CCCCC#N ZINC000567679225 326243958 /nfs/dbraw/zinc/24/39/58/326243958.db2.gz PTBZPGMWYCGNNC-SECBINFHSA-N 1 0 202.323 0.994 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000567696124 326246864 /nfs/dbraw/zinc/24/68/64/326246864.db2.gz RNLGFUPUQHTNAH-GFCCVEGCSA-N 1 0 225.336 0.749 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CCC1CC[NH2+]CC1 ZINC000567822373 326263681 /nfs/dbraw/zinc/26/36/81/326263681.db2.gz PEXTUMQIFIMMLU-UHFFFAOYSA-N 1 0 247.302 1.000 20 30 BCEDRO C#CCNC(=O)[C@@H](C)SCC[NH+](C)C ZINC000157764708 326294996 /nfs/dbraw/zinc/29/49/96/326294996.db2.gz GVJQBDVYWVOGAL-SECBINFHSA-N 1 0 214.334 0.419 20 30 BCEDRO CC[C@H]([NH3+])CNC(=O)c1ccc(C#N)c(C)n1 ZINC000568152133 326313699 /nfs/dbraw/zinc/31/36/99/326313699.db2.gz XTRBQMMEJPLJHN-JTQLQIEISA-N 1 0 232.287 0.729 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC([NH+](C)C)C1 ZINC000158481040 326324186 /nfs/dbraw/zinc/32/41/86/326324186.db2.gz LVDWAHZHVJRUKA-JTQLQIEISA-N 1 0 226.320 0.740 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)NCC(C)(C)CC#N)C1 ZINC000315528588 326329696 /nfs/dbraw/zinc/32/96/96/326329696.db2.gz GLKAXZQMTBRLKZ-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO N#CCC1(CNC(=O)NC[C@H]2CCC[NH2+]2)CC1 ZINC000568737967 326374218 /nfs/dbraw/zinc/37/42/18/326374218.db2.gz YWLQQBLWQPFLHR-SNVBAGLBSA-N 1 0 236.319 0.731 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000572999305 326423686 /nfs/dbraw/zinc/42/36/86/326423686.db2.gz QRIHEHTUGBEUTN-MNOVXSKESA-N 1 0 243.351 0.956 20 30 BCEDRO COCC#CC[NH+](CCOC)CCOC ZINC000677132515 487979066 /nfs/dbraw/zinc/97/90/66/487979066.db2.gz BRJBBYXXLLBJTM-UHFFFAOYSA-N 1 0 215.293 0.231 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000682538997 487981396 /nfs/dbraw/zinc/98/13/96/487981396.db2.gz MNBIMIYKOHWYED-SRVKXCTJSA-N 1 0 236.315 0.222 20 30 BCEDRO C=CCCOCC(=O)N(C)[C@H](C)C[NH3+] ZINC000308988011 488001874 /nfs/dbraw/zinc/00/18/74/488001874.db2.gz KFXZSMKGAMRLIW-SECBINFHSA-N 1 0 200.282 0.385 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000309634264 488004094 /nfs/dbraw/zinc/00/40/94/488004094.db2.gz LTSHMRAGBRLKEO-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000669156572 488031945 /nfs/dbraw/zinc/03/19/45/488031945.db2.gz ZYWFSVJGUHGVTI-VHSXEESVSA-N 1 0 228.336 0.626 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1cc(C)cc(C)c1 ZINC000491508044 488033474 /nfs/dbraw/zinc/03/34/74/488033474.db2.gz YEWHEBFVMVNUBO-ZIAGYGMSSA-N 1 0 233.311 0.921 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000669179283 488044913 /nfs/dbraw/zinc/04/49/13/488044913.db2.gz VUUILRSBAMKOJP-VHSXEESVSA-N 1 0 212.293 0.086 20 30 BCEDRO C=CCOCCCNC(=O)N1CC[NH2+]CC1 ZINC000659597459 488057071 /nfs/dbraw/zinc/05/70/71/488057071.db2.gz QBZBJGZCOYAJER-UHFFFAOYSA-N 1 0 227.308 0.194 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)C2CCC2)C1=O ZINC000661153041 488081068 /nfs/dbraw/zinc/08/10/68/488081068.db2.gz HRJHKEBVPHNRBY-NEPJUHHUSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000667717825 488100738 /nfs/dbraw/zinc/10/07/38/488100738.db2.gz GUJSYBWCKBRHGA-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000668678167 488103459 /nfs/dbraw/zinc/10/34/59/488103459.db2.gz GCZMUMIDWKFXMC-CYBMUJFWSA-N 1 0 240.347 0.724 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCC[C@]12CCNC2=O ZINC000516875352 488110360 /nfs/dbraw/zinc/11/03/60/488110360.db2.gz MRBWPSNGCFMXHY-DGCLKSJQSA-N 1 0 238.331 0.668 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000667771732 488116544 /nfs/dbraw/zinc/11/65/44/488116544.db2.gz JRYJRFRAYQTZRE-ZDUSSCGKSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@](F)(CO)C1 ZINC000670110922 488123196 /nfs/dbraw/zinc/12/31/96/488123196.db2.gz AOVBGUCAZNBEPX-NXEZZACHSA-N 1 0 203.257 0.330 20 30 BCEDRO COCC#CCN(C)CC(=O)N1CCCC1 ZINC000677817299 488131275 /nfs/dbraw/zinc/13/12/75/488131275.db2.gz NUPVTVSVSFSVPQ-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO COCC#CCN(C)Cc1cnn(C)c1 ZINC000677818027 488131928 /nfs/dbraw/zinc/13/19/28/488131928.db2.gz XMRXOOJJGHKMQV-UHFFFAOYSA-N 1 0 207.277 0.502 20 30 BCEDRO C=CCCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000168787768 487541380 /nfs/dbraw/zinc/54/13/80/487541380.db2.gz URVSQCIFCHLXLR-SECBINFHSA-N 1 0 214.334 0.774 20 30 BCEDRO C=CCOCCNC(=O)CCC(C)(C)[NH3+] ZINC000308842931 487556186 /nfs/dbraw/zinc/55/61/86/487556186.db2.gz ZOMFJKKAAAPTKB-UHFFFAOYSA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCOCCNC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000405135869 487475656 /nfs/dbraw/zinc/47/56/56/487475656.db2.gz AZFOBKVQLQWYIC-WDEREUQCSA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCCOCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000231802724 487475902 /nfs/dbraw/zinc/47/59/02/487475902.db2.gz UXWVEVLTWVCSOR-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000669563812 487484057 /nfs/dbraw/zinc/48/40/57/487484057.db2.gz CBSISPLEPCNUBL-NWDGAFQWSA-N 1 0 235.331 0.793 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C(C)(C)CO)C1=O ZINC000685001291 487489509 /nfs/dbraw/zinc/48/95/09/487489509.db2.gz YCRHSCLXEJWJAQ-SNVBAGLBSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCC[NH+]1CCN(CCOCCOC)CC1 ZINC000685004680 487491556 /nfs/dbraw/zinc/49/15/56/487491556.db2.gz ITPSZNNPPAGGMB-UHFFFAOYSA-N 1 0 242.363 0.843 20 30 BCEDRO COCC#CCN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000677816956 487505820 /nfs/dbraw/zinc/50/58/20/487505820.db2.gz FJVVWRXYOYIXBZ-CYBMUJFWSA-N 1 0 224.348 0.910 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H](OCCO)C1 ZINC000677818281 487508895 /nfs/dbraw/zinc/50/88/95/487508895.db2.gz YKIROVTYRMLMAY-LBPRGKRZSA-N 1 0 227.304 0.110 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407292589 487524154 /nfs/dbraw/zinc/52/41/54/487524154.db2.gz YOLXNXDYBYMCOW-NEPJUHHUSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CCOCCNC(=O)C1([NH3+])CCCC1 ZINC000379927301 488158829 /nfs/dbraw/zinc/15/88/29/488158829.db2.gz UOAAURJPBUTMPM-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO C=C[C@H](O)C(=O)N(CCC)CC[NH+](C)C ZINC000668300765 487635742 /nfs/dbraw/zinc/63/57/42/487635742.db2.gz WFQYIXLQHSCMFX-JTQLQIEISA-N 1 0 214.309 0.334 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000668300477 487636204 /nfs/dbraw/zinc/63/62/04/487636204.db2.gz OFXOWNWPGMCEEW-LLVKDONJSA-N 1 0 228.336 0.580 20 30 BCEDRO C=CC[C@@]1(C(=O)N(C)CC[C@@H](C)O)CCC[NH2+]1 ZINC000662611543 487671371 /nfs/dbraw/zinc/67/13/71/487671371.db2.gz AKIZIZRUGRSSIQ-YPMHNXCESA-N 1 0 240.347 0.914 20 30 BCEDRO C#CCN(C)CC(=O)N1CCCC[C@H]1C ZINC000298400304 487675493 /nfs/dbraw/zinc/67/54/93/487675493.db2.gz FABYZLIIGFYQSZ-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000677819720 488135739 /nfs/dbraw/zinc/13/57/39/488135739.db2.gz NTYDUWHRWDAELV-ZDUSSCGKSA-N 1 0 248.330 0.640 20 30 BCEDRO COCC#CC[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000677820073 488135855 /nfs/dbraw/zinc/13/58/55/488135855.db2.gz WOCOTMATSIWMIR-CYBMUJFWSA-N 1 0 241.331 0.764 20 30 BCEDRO COCC#CC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000677820612 488137282 /nfs/dbraw/zinc/13/72/82/488137282.db2.gz QXPAYXIIYLFPEP-VXGBXAGGSA-N 1 0 241.356 0.843 20 30 BCEDRO CCOC[C@@H]1CC[N@H+](CC#CCOC)C1 ZINC000677820527 488137994 /nfs/dbraw/zinc/13/79/94/488137994.db2.gz QJXWJYAOLCYZDK-GFCCVEGCSA-N 1 0 211.305 0.995 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000379490986 488140401 /nfs/dbraw/zinc/14/04/01/488140401.db2.gz QEZYAYZFTARPMQ-DTWKUNHWSA-N 1 0 200.282 0.289 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000379835537 488153609 /nfs/dbraw/zinc/15/36/09/488153609.db2.gz ZRLLDWOPDZJETM-NXEZZACHSA-N 1 0 212.293 0.303 20 30 BCEDRO COCC#CC[N@H+](C)CC1CCOCC1 ZINC000678085226 488195096 /nfs/dbraw/zinc/19/50/96/488195096.db2.gz IACBYMZXPKXZBQ-UHFFFAOYSA-N 1 0 211.305 0.995 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000668095881 488202309 /nfs/dbraw/zinc/20/23/09/488202309.db2.gz SHLMSOMCXUSBNX-WPRPVWTQSA-N 1 0 212.293 0.132 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000668198609 488221783 /nfs/dbraw/zinc/22/17/83/488221783.db2.gz VTOCNPVIDPIMAI-LBPRGKRZSA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000684628586 488335916 /nfs/dbraw/zinc/33/59/16/488335916.db2.gz NMCASZMEDCZVKC-KOLCDFICSA-N 1 0 212.293 0.121 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000668315931 490085777 /nfs/dbraw/zinc/08/57/77/490085777.db2.gz WNMUQLLKVUVFRC-NSHDSACASA-N 1 0 226.320 0.524 20 30 BCEDRO CC1CC(C#N)(C(=O)N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1 ZINC000384910569 490124714 /nfs/dbraw/zinc/12/47/14/490124714.db2.gz OONQSGJBORGHCX-YSPJCORJSA-N 1 0 247.342 0.945 20 30 BCEDRO N#CCCC[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000595545161 490161122 /nfs/dbraw/zinc/16/11/22/490161122.db2.gz PHWGECAUQGCHRS-MNOVXSKESA-N 1 0 212.293 0.667 20 30 BCEDRO C=CCNC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000079953381 490470935 /nfs/dbraw/zinc/47/09/35/490470935.db2.gz GTAVKTMDDHESEI-UHFFFAOYSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000121418213 490477861 /nfs/dbraw/zinc/47/78/61/490477861.db2.gz SGLDRWYPJCGGEI-UHFFFAOYSA-N 1 0 210.237 0.909 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H]([NH3+])C(C)C)C(C)C ZINC000491726412 491080193 /nfs/dbraw/zinc/08/01/93/491080193.db2.gz DJNWQAFNEIWJPM-MNOVXSKESA-N 1 0 225.336 0.927 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000491623429 491079384 /nfs/dbraw/zinc/07/93/84/491079384.db2.gz FZRISZKRRLSXMD-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000845627031 582620484 /nfs/dbraw/zinc/62/04/84/582620484.db2.gz MSYADYRPUUOXIW-KOLCDFICSA-N 1 0 245.323 0.104 20 30 BCEDRO C=CC(C)(C)NC(=O)[C@@H]1CN(CC)CCO1 ZINC000891269695 582649370 /nfs/dbraw/zinc/64/93/70/582649370.db2.gz OSKBKDYWRQCVNF-JTQLQIEISA-N 1 0 226.320 0.788 20 30 BCEDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)[C@@H](C)C#N ZINC000352423836 535651178 /nfs/dbraw/zinc/65/11/78/535651178.db2.gz ZJMZSFYAFFZUJJ-UWVGGRQHSA-N 1 0 247.364 0.548 20 30 BCEDRO N#CC1(CNC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000891877315 582734196 /nfs/dbraw/zinc/73/41/96/582734196.db2.gz ZCEMZEUEMZUXCA-SECBINFHSA-N 1 0 222.292 0.423 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000668574093 582771144 /nfs/dbraw/zinc/77/11/44/582771144.db2.gz BAQYCZMJISAAPE-AAEUAGOBSA-N 1 0 240.347 0.914 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C12CCCC2 ZINC000261701607 536305374 /nfs/dbraw/zinc/30/53/74/536305374.db2.gz UATQCZQUFHUHHP-IVZWLZJFSA-N 1 0 223.320 0.868 20 30 BCEDRO C=C(CC)C[N@H+](C)CC(C)(CO)CO ZINC000358510960 534372850 /nfs/dbraw/zinc/37/28/50/534372850.db2.gz QKMSKKGTWJNADO-UHFFFAOYSA-N 1 0 201.310 0.875 20 30 BCEDRO C=C(CC)C[N@H+](CCOC)[C@H](C)C(N)=O ZINC000358498728 534377815 /nfs/dbraw/zinc/37/78/15/534377815.db2.gz MLZLQOGKZVYUQJ-SNVBAGLBSA-N 1 0 214.309 0.775 20 30 BCEDRO C=C(CC)C[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000335951088 534384617 /nfs/dbraw/zinc/38/46/17/534384617.db2.gz KBITXLXJGABCQO-UHFFFAOYSA-N 1 0 246.376 0.920 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000358611457 534388262 /nfs/dbraw/zinc/38/82/62/534388262.db2.gz HHEVZDGMVXNYTI-JTQLQIEISA-N 1 0 232.349 0.706 20 30 BCEDRO C=C(CC)C[N@@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000358507062 534402819 /nfs/dbraw/zinc/40/28/19/534402819.db2.gz KUAZJXHPLSIJAP-UWVGGRQHSA-N 1 0 212.293 0.527 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000295169974 534448337 /nfs/dbraw/zinc/44/83/37/534448337.db2.gz LGXPSGUGUGOKHF-ZETCQYMHSA-N 1 0 202.685 0.996 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NC(C)(C)C)nn1 ZINC000263092147 534452063 /nfs/dbraw/zinc/45/20/63/534452063.db2.gz UNESMYNGDAWKMY-UHFFFAOYSA-N 1 0 236.323 0.667 20 30 BCEDRO C=C1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000342008025 534464242 /nfs/dbraw/zinc/46/42/42/534464242.db2.gz PVXDPRFSXYLFOQ-UHFFFAOYSA-N 1 0 218.322 0.317 20 30 BCEDRO C=C1CC[NH+](C[C@@H](O)CN2CCOCC2)CC1 ZINC000342177153 534465532 /nfs/dbraw/zinc/46/55/32/534465532.db2.gz HLXSRCCEHZQJHA-CYBMUJFWSA-N 1 0 240.347 0.332 20 30 BCEDRO C=CC1CC[NH+]([C@@H](C)C(=O)NC(N)=O)CC1 ZINC000111259312 534532351 /nfs/dbraw/zinc/53/23/51/534532351.db2.gz WAIQRHKUHDWNNS-QMMMGPOBSA-N 1 0 225.292 0.468 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cnn(CCOC)c1 ZINC000289854988 534541174 /nfs/dbraw/zinc/54/11/74/534541174.db2.gz OEQSYQKBPCRFPH-NSHDSACASA-N 1 0 225.292 0.166 20 30 BCEDRO C=CCCC(=O)N1CCN(CC[NH+](C)C)CC1 ZINC000338767811 534606933 /nfs/dbraw/zinc/60/69/33/534606933.db2.gz UFUQTTLASLHZQQ-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000354627889 534621046 /nfs/dbraw/zinc/62/10/46/534621046.db2.gz APNBFSHJNLLKSX-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCCC(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000352856291 534621433 /nfs/dbraw/zinc/62/14/33/534621433.db2.gz FNSVKVAVMNRRNG-GFCCVEGCSA-N 1 0 240.347 0.916 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCC1(CC(N)=O)CC1 ZINC000263212421 534661779 /nfs/dbraw/zinc/66/17/79/534661779.db2.gz ZINKTHHGUWNOJL-UHFFFAOYSA-N 1 0 226.324 0.345 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NC[C@@]1(CCO)CCOC1 ZINC000262453573 534662731 /nfs/dbraw/zinc/66/27/31/534662731.db2.gz FAPGMOIIIRQGFX-GFCCVEGCSA-N 1 0 243.351 0.478 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000264131966 534664775 /nfs/dbraw/zinc/66/47/75/534664775.db2.gz UEUFMRFSBXQKTQ-UHFFFAOYSA-N 1 0 248.330 0.988 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000359195605 534680048 /nfs/dbraw/zinc/68/00/48/534680048.db2.gz MPFYLUCEEBZDFK-MXWKQRLJSA-N 1 0 241.335 0.315 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000293480410 534680061 /nfs/dbraw/zinc/68/00/61/534680061.db2.gz XQHQUTMRKNKUQP-GHMZBOCLSA-N 1 0 243.351 0.561 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000335294315 534713915 /nfs/dbraw/zinc/71/39/15/534713915.db2.gz FPWFPNTXVIVYOG-VHSXEESVSA-N 1 0 209.293 0.449 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000342435160 534713950 /nfs/dbraw/zinc/71/39/50/534713950.db2.gz VVISYKAEUBDEBM-SNVBAGLBSA-N 1 0 221.304 0.546 20 30 BCEDRO C=CCCC[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366331684 534721309 /nfs/dbraw/zinc/72/13/09/534721309.db2.gz OURLRZPULKWLEK-ZJUUUORDSA-N 1 0 222.288 0.547 20 30 BCEDRO C=CCCC[C@H](C)[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000348208510 534756834 /nfs/dbraw/zinc/75/68/34/534756834.db2.gz IIATXMOPIUWOGE-JQWIXIFHSA-N 1 0 226.320 0.653 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000178941229 534784884 /nfs/dbraw/zinc/78/48/84/534784884.db2.gz CNTDLOMKTYSUBT-SNVBAGLBSA-N 1 0 232.349 0.434 20 30 BCEDRO C=CC[NH+](CC=C)CCN1C(=O)CCC1=O ZINC000120329395 534827534 /nfs/dbraw/zinc/82/75/34/534827534.db2.gz XKWRBOOIBPZDJB-UHFFFAOYSA-N 1 0 222.288 0.809 20 30 BCEDRO C=CC[NH+](CC=C)CCCN1C(=O)CNC1=O ZINC000102191027 534828190 /nfs/dbraw/zinc/82/81/90/534828190.db2.gz XTRGFJFGAGTFQG-UHFFFAOYSA-N 1 0 237.303 0.602 20 30 BCEDRO C=CCNC(=[NH2+])NCc1c(C)noc1C ZINC000195523141 534843125 /nfs/dbraw/zinc/84/31/25/534843125.db2.gz QDBIMEMGFUNYBF-UHFFFAOYSA-N 1 0 208.265 0.882 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CCCN(C(C)=O)C1 ZINC000262384841 534844243 /nfs/dbraw/zinc/84/42/43/534844243.db2.gz OPRNDWNRAGEPKP-NSHDSACASA-N 1 0 238.335 0.335 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1ccn(C)n1 ZINC000262393680 534844294 /nfs/dbraw/zinc/84/42/94/534844294.db2.gz SCZLNUYNDCIIPW-UHFFFAOYSA-N 1 0 207.281 0.053 20 30 BCEDRO C=CCNC(=[NH2+])NCC1([S@@](C)=O)CCC1 ZINC000262768592 534844577 /nfs/dbraw/zinc/84/45/77/534844577.db2.gz GTTVGFXFLNMVCY-OAHLLOKOSA-N 1 0 229.349 0.378 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1ccccn1 ZINC000261723830 534844663 /nfs/dbraw/zinc/84/46/63/534844663.db2.gz GFQPOZCZDDJJCT-UHFFFAOYSA-N 1 0 204.277 0.714 20 30 BCEDRO C=CC[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000281063049 534848271 /nfs/dbraw/zinc/84/82/71/534848271.db2.gz SBTNAEFSKPBCAA-UHFFFAOYSA-N 1 0 208.265 0.463 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])N1CCC(C)CC1 ZINC000262150239 534855683 /nfs/dbraw/zinc/85/56/83/534855683.db2.gz MVVZTQLTQSSUPG-UHFFFAOYSA-N 1 0 238.335 0.335 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)CCCOC ZINC000180034027 534859973 /nfs/dbraw/zinc/85/99/73/534859973.db2.gz DPMOQLMAYJAMMP-SNVBAGLBSA-N 1 0 214.309 0.693 20 30 BCEDRO C=CCNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000262134225 534860446 /nfs/dbraw/zinc/86/04/46/534860446.db2.gz DJIOSRNDRDMXFN-VHSXEESVSA-N 1 0 211.309 0.799 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000371508526 534860652 /nfs/dbraw/zinc/86/06/52/534860652.db2.gz KCIFDCDFPCXNMX-QWRGUYRKSA-N 1 0 223.320 0.908 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@H](C)C[C@@H]1C ZINC000354204534 534862324 /nfs/dbraw/zinc/86/23/24/534862324.db2.gz FNWNKLHEQAJPOY-ZJUUUORDSA-N 1 0 239.319 0.729 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+](C)CCC ZINC000069091081 534862392 /nfs/dbraw/zinc/86/23/92/534862392.db2.gz BCCVDULXGKECCM-SECBINFHSA-N 1 0 227.308 0.729 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[NH+]1CCCC1 ZINC000043562554 534862439 /nfs/dbraw/zinc/86/24/39/534862439.db2.gz GNGPDMVBXJGJFL-SECBINFHSA-N 1 0 225.292 0.483 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000261545216 534870131 /nfs/dbraw/zinc/87/01/31/534870131.db2.gz JQPRATPYFOENEJ-UWVGGRQHSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000354666709 534870227 /nfs/dbraw/zinc/87/02/27/534870227.db2.gz SOSPRFMRESYLFW-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCOCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000261553492 534870382 /nfs/dbraw/zinc/87/03/82/534870382.db2.gz SOGREVHRGRAVJS-ZJUUUORDSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000355566289 534870584 /nfs/dbraw/zinc/87/05/84/534870584.db2.gz ALYOTUVBBDJYHV-JTQLQIEISA-N 1 0 224.304 0.542 20 30 BCEDRO C=CCOCCC[N@H+](CC(N)=O)C(C)C ZINC000347958015 534873855 /nfs/dbraw/zinc/87/38/55/534873855.db2.gz BFPQRXBFYMMOSR-UHFFFAOYSA-N 1 0 214.309 0.775 20 30 BCEDRO C=CCOCCC[N@@H+](C)[C@]1(CO)CCOC1 ZINC000348044559 534873958 /nfs/dbraw/zinc/87/39/58/534873958.db2.gz ZZGMDRPHQUNHOL-LBPRGKRZSA-N 1 0 229.320 0.662 20 30 BCEDRO C=CCOCC[N@@H+](CCO)C1CCOCC1 ZINC000339113091 534876725 /nfs/dbraw/zinc/87/67/25/534876725.db2.gz TVXYDNJVTSKVKW-UHFFFAOYSA-N 1 0 229.320 0.662 20 30 BCEDRO CNC(NCCNC(=O)OC(C)(C)C)=[NH+]C ZINC000303260952 526344482 /nfs/dbraw/zinc/34/44/82/526344482.db2.gz NYUIHCFRBCSNHI-UHFFFAOYSA-N 1 0 230.312 0.306 20 30 BCEDRO CNC(NC1CN(C(=O)OC(C)(C)C)C1)=[NH+]C ZINC000304816815 526411583 /nfs/dbraw/zinc/41/15/83/526411583.db2.gz XWYOUEBVBIOBOJ-UHFFFAOYSA-N 1 0 242.323 0.401 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494709185 526456694 /nfs/dbraw/zinc/45/66/94/526456694.db2.gz MYPYIAQFVLFTHY-SECBINFHSA-N 1 0 218.322 0.186 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496622781 526455984 /nfs/dbraw/zinc/45/59/84/526455984.db2.gz KNJLGFOUYBILKY-SNVBAGLBSA-N 1 0 210.277 0.947 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H]2C[C@@H](OC)C2)C1=O ZINC000510107788 526503982 /nfs/dbraw/zinc/50/39/82/526503982.db2.gz COPJQCYEJMPAAG-TUAOUCFPSA-N 1 0 238.331 0.883 20 30 BCEDRO COC(=O)CCc1csc(NC(N)=[NH2+])n1 ZINC000195230093 536462042 /nfs/dbraw/zinc/46/20/42/536462042.db2.gz ICJLEEQMDSUTFN-UHFFFAOYSA-N 1 0 228.277 0.154 20 30 BCEDRO C#CCN(C(=O)NCC[NH2+]C)C1CCCC1 ZINC000491816187 526769131 /nfs/dbraw/zinc/76/91/31/526769131.db2.gz MRSUMZSTTFRXNF-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCN(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000491637338 526790600 /nfs/dbraw/zinc/79/06/00/526790600.db2.gz MGGAMMSLJVWGOY-ZYHUDNBSSA-N 1 0 223.320 0.588 20 30 BCEDRO C#CC[NH+](CC#C)C[C@H]1CCCNC1=O ZINC000491818134 526845383 /nfs/dbraw/zinc/84/53/83/526845383.db2.gz XKMBWXHRKVLTOA-LLVKDONJSA-N 1 0 204.273 0.081 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC1CC[NH2+]CC1 ZINC000491785723 526854941 /nfs/dbraw/zinc/85/49/41/526854941.db2.gz SSXVMJXKNDJRQG-UHFFFAOYSA-N 1 0 247.342 0.654 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H](C)C[NH3+] ZINC000491382314 526858174 /nfs/dbraw/zinc/85/81/74/526858174.db2.gz IACPNLVGAHHSQN-SNVBAGLBSA-N 1 0 207.277 0.002 20 30 BCEDRO C#CC[N@@H+](C[C@](C)(O)C(=O)OC)C1CC1 ZINC000491309255 526903235 /nfs/dbraw/zinc/90/32/35/526903235.db2.gz YDSSVDAKRXIQHK-NSHDSACASA-N 1 0 211.261 0.008 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCc2ccc[nH]2)CC1 ZINC000174313786 526928402 /nfs/dbraw/zinc/92/84/02/526928402.db2.gz MMMPUKUPBOPBLV-UHFFFAOYSA-N 1 0 245.326 0.976 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000491067278 526974066 /nfs/dbraw/zinc/97/40/66/526974066.db2.gz HLEYMELXIXCMSX-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000491464228 526978091 /nfs/dbraw/zinc/97/80/91/526978091.db2.gz QRUGWDXTIUGEGD-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CCN1CC[N@@H+](CC)C[C@@H]1C ZINC000491067494 526979230 /nfs/dbraw/zinc/97/92/30/526979230.db2.gz IMMUSKKSRAAGLZ-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](CO)[C@@H]1CC ZINC000491661336 526979371 /nfs/dbraw/zinc/97/93/71/526979371.db2.gz KPPXKUOMBBUTRL-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000491202223 526979654 /nfs/dbraw/zinc/97/96/54/526979654.db2.gz MURPBFWDNCVSRB-GHMZBOCLSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCSCC=C ZINC000491724745 526981447 /nfs/dbraw/zinc/98/14/47/526981447.db2.gz CFZUBZRGPHDNLQ-UHFFFAOYSA-N 1 0 226.345 0.635 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)CCCO ZINC000491473519 526983458 /nfs/dbraw/zinc/98/34/58/526983458.db2.gz FADBPYYRYRVTRJ-LLVKDONJSA-N 1 0 226.320 0.124 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000491427674 527008785 /nfs/dbraw/zinc/00/87/85/527008785.db2.gz LLTFXFAQROKIDF-LLVKDONJSA-N 1 0 235.331 0.745 20 30 BCEDRO C#CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000491380927 527014792 /nfs/dbraw/zinc/01/47/92/527014792.db2.gz BRDUWAYWFSDPAB-ZJUUUORDSA-N 1 0 209.293 0.436 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCC1(C)C ZINC000309039803 527021277 /nfs/dbraw/zinc/02/12/77/527021277.db2.gz IZWMKLSKRPQJFO-ZJUUUORDSA-N 1 0 208.305 0.903 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NCCOCC[NH+](C)C ZINC000471659590 527025512 /nfs/dbraw/zinc/02/55/12/527025512.db2.gz RKIGXGIMPMMOHT-LLVKDONJSA-N 1 0 243.351 0.828 20 30 BCEDRO C#CCNC(=O)[C@H]([NH3+])c1ccccc1C ZINC000491672903 527031593 /nfs/dbraw/zinc/03/15/93/527031593.db2.gz ZELZXBMYVMUQEO-LLVKDONJSA-N 1 0 202.257 0.744 20 30 BCEDRO C#CC[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000309020352 527059950 /nfs/dbraw/zinc/05/99/50/527059950.db2.gz WPWVMDCYEJTFBX-LBPRGKRZSA-N 1 0 205.257 0.823 20 30 BCEDRO CC(C)(CN1CCOCC1)[NH2+]CCCC#N ZINC000308649671 527088701 /nfs/dbraw/zinc/08/87/01/527088701.db2.gz YZTGJENPTHAPHC-UHFFFAOYSA-N 1 0 225.336 0.991 20 30 BCEDRO C#CC[C@@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC000490702173 527154148 /nfs/dbraw/zinc/15/41/48/527154148.db2.gz ZGOVOKVQOVOFPA-GFCCVEGCSA-N 1 0 232.327 0.860 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000491048522 527213027 /nfs/dbraw/zinc/21/30/27/527213027.db2.gz YIOWGENNGAQYBI-GFCCVEGCSA-N 1 0 237.347 0.104 20 30 BCEDRO C#C[C@@H](CC)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000308965656 527246432 /nfs/dbraw/zinc/24/64/32/527246432.db2.gz VLGZZERVQUGYHK-NWDGAFQWSA-N 1 0 210.321 0.709 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000491286196 527257440 /nfs/dbraw/zinc/25/74/40/527257440.db2.gz HAGOJZHNFSSUDV-WDEREUQCSA-N 1 0 208.305 0.999 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)[C@@H](C)C[NH3+])C(C)C ZINC000491785916 527269439 /nfs/dbraw/zinc/26/94/39/527269439.db2.gz VQTXLCIVQOKFBS-VHSXEESVSA-N 1 0 211.309 0.633 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)COCCOC)C(C)C ZINC000300854677 527292069 /nfs/dbraw/zinc/29/20/69/527292069.db2.gz FSVCZMJMGVFTAY-NWDGAFQWSA-N 1 0 229.320 0.258 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000491796264 527302343 /nfs/dbraw/zinc/30/23/43/527302343.db2.gz YXJWKYPEKQRKPG-HBNTYKKESA-N 1 0 239.319 0.156 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000491535651 527376656 /nfs/dbraw/zinc/37/66/56/527376656.db2.gz DRAJZOFAPVCWMC-KGLIPLIRSA-N 1 0 233.311 0.564 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000491760646 527377260 /nfs/dbraw/zinc/37/72/60/527377260.db2.gz RYXOCPNAMOAAJM-CHWSQXEVSA-N 1 0 237.274 0.313 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@H]([NH2+]C)C1)C(C)C ZINC000491630055 527389083 /nfs/dbraw/zinc/38/90/83/527389083.db2.gz WVOZXACIMSYVSK-QWRGUYRKSA-N 1 0 223.320 0.648 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H]([NH3+])CC ZINC000418737526 527430158 /nfs/dbraw/zinc/43/01/58/527430158.db2.gz VSPSISTUVGAYGZ-ZJUUUORDSA-N 1 0 229.324 0.350 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)/C=C\C[NH+](C)C ZINC000493614781 527466082 /nfs/dbraw/zinc/46/60/82/527466082.db2.gz RBRMDXCUIZSQRB-MCTUQULKSA-N 1 0 238.331 0.954 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CN(C)C(=O)O1 ZINC000496690554 527516530 /nfs/dbraw/zinc/51/65/30/527516530.db2.gz JYFCXKKRGWEGSS-BBBLOLIVSA-N 1 0 226.276 0.370 20 30 BCEDRO C=CC[N@@H+](C)CCC(=O)N(C)CC(=O)OC ZINC000494658258 527571787 /nfs/dbraw/zinc/57/17/87/527571787.db2.gz XCOKHYBHRRFEPH-UHFFFAOYSA-N 1 0 228.292 0.126 20 30 BCEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@H](C)C#N ZINC000488163289 527715453 /nfs/dbraw/zinc/71/54/53/527715453.db2.gz FEEYMWRKVNQYLS-MNOVXSKESA-N 1 0 241.335 0.619 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1cccn1C ZINC000262510940 536519977 /nfs/dbraw/zinc/51/99/77/536519977.db2.gz DCLQCKJTBLKRHN-SECBINFHSA-N 1 0 224.308 0.464 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H]1CC1(C)C ZINC000262470789 536520466 /nfs/dbraw/zinc/52/04/66/536520466.db2.gz YZYVGFVTKSQWGA-RKDXNWHRSA-N 1 0 213.325 0.972 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)/C=C\C[NH+](C)C ZINC000492650979 528340485 /nfs/dbraw/zinc/34/04/85/528340485.db2.gz TYJLMGUTCXJUKS-WWQCOOJYSA-N 1 0 209.293 0.769 20 30 BCEDRO CC[C@@H](C#N)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487083427 529269156 /nfs/dbraw/zinc/26/91/56/529269156.db2.gz KUABPJXBYDNIDO-UTLUCORTSA-N 1 0 209.293 0.602 20 30 BCEDRO CC[C@H](CC#N)NC(=O)/C=C/C[NH+](C)C ZINC000492607815 529295545 /nfs/dbraw/zinc/29/55/45/529295545.db2.gz ZXLYUNRSMRDYCT-BRAIEQGRSA-N 1 0 209.293 0.913 20 30 BCEDRO CCCN1C[C@@H](CNC(=[NH2+])NC2CC2)CC1=O ZINC000263147506 534964358 /nfs/dbraw/zinc/96/43/58/534964358.db2.gz PADQQPMCUJTOOA-SECBINFHSA-N 1 0 238.335 0.312 20 30 BCEDRO CCCN1C[C@H](CNC(=[NH2+])NC(C)C)CC1=O ZINC000263210499 534991973 /nfs/dbraw/zinc/99/19/73/534991973.db2.gz YXXJMVGQPJZVCM-JTQLQIEISA-N 1 0 240.351 0.558 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)/C=C/C[NH+](C)C ZINC000265707439 535123429 /nfs/dbraw/zinc/12/34/29/535123429.db2.gz TYJLMGUTCXJUKS-BRAIEQGRSA-N 1 0 209.293 0.769 20 30 BCEDRO CCC(O)(CC)CCNC1=[NH+]C[C@@H](C)N1 ZINC000262681917 535195446 /nfs/dbraw/zinc/19/54/46/535195446.db2.gz WNYULETZFZRNEC-SECBINFHSA-N 1 0 213.325 0.865 20 30 BCEDRO CCC[N@H+](C)CC(=O)N[C@@H](C#N)C(C)C ZINC000332499887 535251009 /nfs/dbraw/zinc/25/10/09/535251009.db2.gz IFEPZGBAJWOJSJ-JTQLQIEISA-N 1 0 211.309 0.993 20 30 BCEDRO CCCCNC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000267665785 535262508 /nfs/dbraw/zinc/26/25/08/535262508.db2.gz NRRWIVYLKIARNR-UHFFFAOYSA-N 1 0 238.291 0.583 20 30 BCEDRO CC[NH+]=C(NC[C@H](C)C(=O)OC)N1CCCC1 ZINC000103891946 535264104 /nfs/dbraw/zinc/26/41/04/535264104.db2.gz JPVIZYBKPHVALJ-JTQLQIEISA-N 1 0 241.335 0.857 20 30 BCEDRO CC[NH+]=C(NC[C@@]1(O)CCSC1)NC(C)C ZINC000262403912 535264466 /nfs/dbraw/zinc/26/44/66/535264466.db2.gz OFGDOLGIAPEACR-NSHDSACASA-N 1 0 245.392 0.818 20 30 BCEDRO CC[NH+]=C(NCc1noc(C)n1)N[C@H]1C[C@H]1C ZINC000262463612 535265354 /nfs/dbraw/zinc/26/53/54/535265354.db2.gz GCDMWJHKHLIUNZ-APPZFPTMSA-N 1 0 237.307 0.842 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCc1cnn(C)c1 ZINC000264087005 535389190 /nfs/dbraw/zinc/38/91/90/535389190.db2.gz JUQOBNGIGVMRDW-UHFFFAOYSA-N 1 0 223.324 0.619 20 30 BCEDRO CC[NH+](CC)CC(=O)N(C)C[C@H](C)C#N ZINC000357830662 535487740 /nfs/dbraw/zinc/48/77/40/535487740.db2.gz KLKFMKCUYZBQHT-SNVBAGLBSA-N 1 0 211.309 0.946 20 30 BCEDRO CC[N@H+](C)CCNC(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000360082359 535751218 /nfs/dbraw/zinc/75/12/18/535751218.db2.gz KZWTURGTANAQTJ-GHMZBOCLSA-N 1 0 238.335 0.930 20 30 BCEDRO CC[C@@H](CO)NC(=[NH2+])Nc1ccccn1 ZINC000187140750 535751822 /nfs/dbraw/zinc/75/18/22/535751822.db2.gz OPQJDLWGMSJJPP-QMMMGPOBSA-N 1 0 208.265 0.579 20 30 BCEDRO CCNC(NCC1=CCCOC1)=[NH+]CC ZINC000287028476 535786565 /nfs/dbraw/zinc/78/65/65/535786565.db2.gz GYJXCZTUXRYDRC-UHFFFAOYSA-N 1 0 211.309 0.908 20 30 BCEDRO C[NH+](C)CC[C@](C)(O)CNC(=O)C(C)(C)C#N ZINC000352120759 535925611 /nfs/dbraw/zinc/92/56/11/535925611.db2.gz KNLSZMCDSQMDCL-LBPRGKRZSA-N 1 0 241.335 0.355 20 30 BCEDRO CN(C(=O)N[C@@H]1CC[C@H](C#N)C1)C1CC([NH3+])C1 ZINC000335035152 536048958 /nfs/dbraw/zinc/04/89/58/536048958.db2.gz XSAYGBOGVONMFD-QPBDYMMBSA-N 1 0 236.319 0.810 20 30 BCEDRO CC[C@H]1CC[C@@H](C)[N@@H+]1CC(=O)NCC#N ZINC000408092213 536090813 /nfs/dbraw/zinc/09/08/13/536090813.db2.gz RPTQKMRZUVAZKQ-ZJUUUORDSA-N 1 0 209.293 0.889 20 30 BCEDRO CC[C@H](C)NC(NCCn1cccn1)=[NH+]C ZINC000263258040 536145658 /nfs/dbraw/zinc/14/56/58/536145658.db2.gz RNBCMHOLOKTOMF-JTQLQIEISA-N 1 0 223.324 0.847 20 30 BCEDRO CN(CCC#N)CC[N@@H+]1CCCOCC1 ZINC000361310319 536298644 /nfs/dbraw/zinc/29/86/44/536298644.db2.gz SMWJVKUJQBSUDK-UHFFFAOYSA-N 1 0 211.309 0.554 20 30 BCEDRO C[NH+]=C(NC[C@@]1(OC)CCOC1)NC1CC1 ZINC000262644716 536304277 /nfs/dbraw/zinc/30/42/77/536304277.db2.gz IGLZSNOCPYCVGZ-NSHDSACASA-N 1 0 227.308 0.119 20 30 BCEDRO C[NH+]=C(NCc1cncn1C)NC1CC1 ZINC000262372136 536304389 /nfs/dbraw/zinc/30/43/89/536304389.db2.gz LYIUEDHJOPPJDZ-UHFFFAOYSA-N 1 0 207.281 0.248 20 30 BCEDRO C[N@H+](CCC(C)(C)C#N)[C@H]1COC[C@@H]1O ZINC000352799174 536314854 /nfs/dbraw/zinc/31/48/54/536314854.db2.gz FOAOTSCCQCFZAP-UWVGGRQHSA-N 1 0 212.293 0.618 20 30 BCEDRO C[N@H+](CCC(C)(C)C#N)[C@@H]1COC[C@H]1O ZINC000352799173 536314925 /nfs/dbraw/zinc/31/49/25/536314925.db2.gz FOAOTSCCQCFZAP-NXEZZACHSA-N 1 0 212.293 0.618 20 30 BCEDRO C[NH+]1CCC(CC(=O)N(CC#N)CC#N)CC1 ZINC000362730461 536336091 /nfs/dbraw/zinc/33/60/91/536336091.db2.gz XNLRRGOFVKDSLL-UHFFFAOYSA-N 1 0 234.303 0.594 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCC(C)(C)C#N ZINC000351916853 536371757 /nfs/dbraw/zinc/37/17/57/536371757.db2.gz IHLOKWDPDUHFEL-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO CN1CCC[C@@]2(CC[N@H+](CCC#N)C2)C1=O ZINC000372572021 536381648 /nfs/dbraw/zinc/38/16/48/536381648.db2.gz OYHFDLLRSDBWIU-LBPRGKRZSA-N 1 0 221.304 0.844 20 30 BCEDRO COc1ccc(-c2nnc(CNC(N)=[NH2+])[nH]2)cc1 ZINC000303388318 536516212 /nfs/dbraw/zinc/51/62/12/536516212.db2.gz BZGZHVGXNDYWMJ-UHFFFAOYSA-N 1 0 246.274 0.254 20 30 BCEDRO COCC(C)(C)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000346828649 536794846 /nfs/dbraw/zinc/79/48/46/536794846.db2.gz IVSYUCBWWILVPY-UHFFFAOYSA-N 1 0 239.319 0.563 20 30 BCEDRO C#CCSCCNc1cc[nH+]cc1CO ZINC000892641641 582936334 /nfs/dbraw/zinc/93/63/34/582936334.db2.gz YDFVTDDZHDEXRK-UHFFFAOYSA-N 1 0 222.313 0.774 20 30 BCEDRO COc1cccc(CNC(=[NH2+])N(C)C)n1 ZINC000170912364 537096914 /nfs/dbraw/zinc/09/69/14/537096914.db2.gz YEQKWSYKCGEDNV-UHFFFAOYSA-N 1 0 208.265 0.467 20 30 BCEDRO COc1cccc(CNC(=[NH2+])N(C)C)c1O ZINC000264271134 537097316 /nfs/dbraw/zinc/09/73/16/537097316.db2.gz LUZMYHKNAXNLPG-UHFFFAOYSA-N 1 0 223.276 0.777 20 30 BCEDRO COc1ncccc1CCNC(=[NH2+])NC1CC1 ZINC000290712104 537156668 /nfs/dbraw/zinc/15/66/68/537156668.db2.gz TZWRJMRJKVXAML-UHFFFAOYSA-N 1 0 234.303 0.699 20 30 BCEDRO C=CCN(CCOC)C(=O)NCCC(C)(C)[NH3+] ZINC000892852724 582996853 /nfs/dbraw/zinc/99/68/53/582996853.db2.gz DGDJAUHHEMRXMV-UHFFFAOYSA-N 1 0 243.351 0.958 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCN1C(=O)N[C@H](C)C1=O ZINC000852103774 583000777 /nfs/dbraw/zinc/00/07/77/583000777.db2.gz QPIPQFWSQSWRFM-SKDRFNHKSA-N 1 0 237.303 0.318 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)c1ccccn1 ZINC000853105632 588720407 /nfs/dbraw/zinc/72/04/07/588720407.db2.gz VBEWTQPLHQKTNE-LBPRGKRZSA-N 1 0 222.288 0.907 20 30 BCEDRO C#C[C@H](NC(NCC)=[NH+]CC)C1CCOCC1 ZINC000853013135 588715389 /nfs/dbraw/zinc/71/53/89/588715389.db2.gz SFKNKGNVYRNTND-LBPRGKRZSA-N 1 0 237.347 0.990 20 30 BCEDRO COC(=O)c1ccc(N[C@@H](C)C[NH3+])c(C#N)n1 ZINC000853016093 588715809 /nfs/dbraw/zinc/71/58/09/588715809.db2.gz NQVBISKFDCIHGV-ZETCQYMHSA-N 1 0 234.259 0.499 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)COCC)C1CCOCC1 ZINC000853117375 588721423 /nfs/dbraw/zinc/72/14/23/588721423.db2.gz VCBXLBIFNRWNKT-CHWSQXEVSA-N 1 0 241.331 0.402 20 30 BCEDRO Cc1ncc(C=NNS(=O)(=O)C(C)C)n1C ZINC000853298724 588731394 /nfs/dbraw/zinc/73/13/94/588731394.db2.gz AZHZWSWWKJTACZ-UHFFFAOYSA-N 1 0 244.320 0.390 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=C2CCCn3nccc32)N1 ZINC000853329955 588733596 /nfs/dbraw/zinc/73/35/96/588733596.db2.gz HKHWYYNEORTPSV-QMMMGPOBSA-N 1 0 232.291 0.318 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1c[nH]cn1 ZINC000853329742 588733603 /nfs/dbraw/zinc/73/36/03/588733603.db2.gz DSWZGRZYSMSVJW-LURJTMIESA-N 1 0 206.253 0.071 20 30 BCEDRO CC[C@H]1CC(=NNC2=[NH+][C@@H](C)CN2)CO1 ZINC000853330741 588733857 /nfs/dbraw/zinc/73/38/57/588733857.db2.gz UUIPKMNYKKLVDR-CBAPKCEASA-N 1 0 210.281 0.479 20 30 BCEDRO CC[C@@H]1CC(=NNC2=[NH+][C@H](C)CN2)CO1 ZINC000853330743 588734009 /nfs/dbraw/zinc/73/40/09/588734009.db2.gz UUIPKMNYKKLVDR-VXNVDRBHSA-N 1 0 210.281 0.479 20 30 BCEDRO C#Cc1cccnc1N1CC([N@@H+]2CC[C@@H](O)C2)C1 ZINC000853714376 588758680 /nfs/dbraw/zinc/75/86/80/588758680.db2.gz XCMDECULJYYEMM-CYBMUJFWSA-N 1 0 243.310 0.318 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N(C)CC[NH+](C)C ZINC000854072896 588773130 /nfs/dbraw/zinc/77/31/30/588773130.db2.gz NBVJRXIKRXJVGJ-JTQLQIEISA-N 1 0 211.309 0.601 20 30 BCEDRO C#C[C@H](CC)NC(=O)NCC[NH+]1CCC1 ZINC000854074915 588773478 /nfs/dbraw/zinc/77/34/78/588773478.db2.gz WBYXQSXAZWVWLI-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO CC(C)C#CC(=O)N1CCC[N@H+](C)CC1 ZINC000854178493 588778357 /nfs/dbraw/zinc/77/83/57/588778357.db2.gz BDZQOPWFUZXCRM-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C=CCC[NH2+][C@@H]1CCN[C@H]1C(=O)OCC ZINC000854219120 588779893 /nfs/dbraw/zinc/77/98/93/588779893.db2.gz CZBRWUDYXRWWKN-NXEZZACHSA-N 1 0 212.293 0.446 20 30 BCEDRO C[NH+]1CCC(ONC(=O)C#CC2CC2)CC1 ZINC000854358268 588785206 /nfs/dbraw/zinc/78/52/06/588785206.db2.gz SUIHWJUQINOSSR-UHFFFAOYSA-N 1 0 222.288 0.542 20 30 BCEDRO CC#CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000854498867 588789516 /nfs/dbraw/zinc/78/95/16/588789516.db2.gz YPRDMCGRSOMRKA-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[C@H](CO)NC(=O)CCCC[NH+](C)C ZINC000854545172 588792692 /nfs/dbraw/zinc/79/26/92/588792692.db2.gz BXGYXTKANCQMHS-LLVKDONJSA-N 1 0 226.320 0.219 20 30 BCEDRO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000854600369 588796590 /nfs/dbraw/zinc/79/65/90/588796590.db2.gz SFQOQLKTSNBDCI-RYUDHWBXSA-N 1 0 220.316 0.808 20 30 BCEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)C#CC1CC1 ZINC000854650588 588799344 /nfs/dbraw/zinc/79/93/44/588799344.db2.gz CWTNQQZKAHCVEA-ZYHUDNBSSA-N 1 0 220.316 0.951 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000854650101 588799446 /nfs/dbraw/zinc/79/94/46/588799446.db2.gz MVKZCXQOIQIHIR-IJLUTSLNSA-N 1 0 238.331 0.576 20 30 BCEDRO C#C[C@](C)(CC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000854697748 588802784 /nfs/dbraw/zinc/80/27/84/588802784.db2.gz KKQUJMGMXAFRID-ZYHUDNBSSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC(C[NH+](C)C)C1 ZINC000854722278 588804105 /nfs/dbraw/zinc/80/41/05/588804105.db2.gz RKZQQIJRULORPX-SNVBAGLBSA-N 1 0 224.304 0.045 20 30 BCEDRO C#C[C@@H](CO)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000854770100 588806027 /nfs/dbraw/zinc/80/60/27/588806027.db2.gz AJJMVXWAKZSHFZ-QWRGUYRKSA-N 1 0 226.320 0.217 20 30 BCEDRO C#C[C@H](CO)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000854770408 588806799 /nfs/dbraw/zinc/80/67/99/588806799.db2.gz HIBIOZPFTRYNED-CYBMUJFWSA-N 1 0 246.310 0.472 20 30 BCEDRO CC#CC(=O)N1CCC[C@@]2(CC[N@H+](C)C2)C1 ZINC000854735580 588804673 /nfs/dbraw/zinc/80/46/73/588804673.db2.gz SMMPKMFVPFDFTI-ZDUSSCGKSA-N 1 0 220.316 0.954 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC1CSC1 ZINC000854871780 588814956 /nfs/dbraw/zinc/81/49/56/588814956.db2.gz ICUMUHPRLJMASP-UHFFFAOYSA-N 1 0 214.334 0.583 20 30 BCEDRO Cc1oc(C#N)cc1C(=O)NOCC[NH+](C)C ZINC000854945010 588817231 /nfs/dbraw/zinc/81/72/31/588817231.db2.gz GOJXKGIYZQSBBS-UHFFFAOYSA-N 1 0 237.259 0.683 20 30 BCEDRO C#Cc1ccc(C(=O)NOCC[NH+](C)C)cn1 ZINC000854945962 588817967 /nfs/dbraw/zinc/81/79/67/588817967.db2.gz YGYKZVAMJLMWSQ-UHFFFAOYSA-N 1 0 233.271 0.286 20 30 BCEDRO CON=CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855286324 588827215 /nfs/dbraw/zinc/82/72/15/588827215.db2.gz OXJYHBWKKQYMHK-SECBINFHSA-N 1 0 227.308 0.608 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000890527407 582467242 /nfs/dbraw/zinc/46/72/42/582467242.db2.gz RZSIFLCPQFFDSG-NWDGAFQWSA-N 1 0 248.326 0.210 20 30 BCEDRO C#CC1(O)CN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000890527224 582467272 /nfs/dbraw/zinc/46/72/72/582467272.db2.gz PGNNLMSTSHCRAU-UHFFFAOYSA-N 1 0 248.326 0.069 20 30 BCEDRO CC#CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855346588 588828563 /nfs/dbraw/zinc/82/85/63/588828563.db2.gz GBSKNJHIYYTETO-LBPRGKRZSA-N 1 0 239.363 0.398 20 30 BCEDRO C=CC[C@@H]1CCN1C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000890555240 582475266 /nfs/dbraw/zinc/47/52/66/582475266.db2.gz GIVZLIUIPMETRA-CHWSQXEVSA-N 1 0 249.358 0.553 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000855416870 588832112 /nfs/dbraw/zinc/83/21/12/588832112.db2.gz CAOBPZONJCOBRH-QWRGUYRKSA-N 1 0 226.320 0.481 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000855416863 588832125 /nfs/dbraw/zinc/83/21/25/588832125.db2.gz CAOBPZONJCOBRH-GHMZBOCLSA-N 1 0 226.320 0.481 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](O)C(F)(F)C1 ZINC000855442835 588837143 /nfs/dbraw/zinc/83/71/43/588837143.db2.gz KHDBASNABLWOON-SECBINFHSA-N 1 0 248.273 0.333 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](C)OC ZINC000855610076 588841952 /nfs/dbraw/zinc/84/19/52/588841952.db2.gz WICIYLXNPMGGGN-VIFPVBQESA-N 1 0 200.282 0.255 20 30 BCEDRO C#CCSCC(=O)NC(C)(C)C[NH+](C)C ZINC000891412949 582680871 /nfs/dbraw/zinc/68/08/71/582680871.db2.gz UFSRQORFBBSNKE-UHFFFAOYSA-N 1 0 228.361 0.809 20 30 BCEDRO C#CCCCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891672816 582708383 /nfs/dbraw/zinc/70/83/83/582708383.db2.gz SIPJKTPLMAHLJJ-XYPYZODXSA-N 1 0 223.320 0.826 20 30 BCEDRO C#CCCCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891672801 582708745 /nfs/dbraw/zinc/70/87/45/582708745.db2.gz SDELSYXOXVVVJK-MNOVXSKESA-N 1 0 223.320 0.921 20 30 BCEDRO C=CCCOCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891720232 582714247 /nfs/dbraw/zinc/71/42/47/582714247.db2.gz UCOZANMSZHHGCD-QWRGUYRKSA-N 1 0 239.319 0.335 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCCCC#N)C2 ZINC000891769272 582717677 /nfs/dbraw/zinc/71/76/77/582717677.db2.gz LTCFKKMLCLRQST-CMPLNLGQSA-N 1 0 236.319 0.541 20 30 BCEDRO C#CCOCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891773836 582718466 /nfs/dbraw/zinc/71/84/66/582718466.db2.gz CCLUCPNLKPONLD-UHFFFAOYSA-N 1 0 227.308 0.063 20 30 BCEDRO N#CCCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891770547 582718467 /nfs/dbraw/zinc/71/84/67/582718467.db2.gz ZZPMJPKVTLHJNL-PWSUYJOCSA-N 1 0 236.319 0.874 20 30 BCEDRO CC#CCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891811766 582725407 /nfs/dbraw/zinc/72/54/07/582725407.db2.gz JLBNSIIWICIFRF-VHSXEESVSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891848704 582729719 /nfs/dbraw/zinc/72/97/19/582729719.db2.gz PSHSKWFXFUBBDE-YPMHNXCESA-N 1 0 235.331 0.984 20 30 BCEDRO C#CCCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891848769 582729886 /nfs/dbraw/zinc/72/98/86/582729886.db2.gz RFXHMDKQVBVMRT-UWVGGRQHSA-N 1 0 209.293 0.531 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@@H]1CCCOC1 ZINC000779794088 582732323 /nfs/dbraw/zinc/73/23/23/582732323.db2.gz CNGPJBBFPRKQIV-WCBMZHEXSA-N 1 0 224.308 0.726 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC1(C#N)CC1 ZINC000891875153 582733746 /nfs/dbraw/zinc/73/37/46/582733746.db2.gz LDFSEHHSXYNVSP-DTWKUNHWSA-N 1 0 222.292 0.421 20 30 BCEDRO N#CC1(CNC(=O)N2CCC[C@H]3[NH2+]CC[C@H]32)CC1 ZINC000891876990 582733811 /nfs/dbraw/zinc/73/38/11/582733811.db2.gz UQBMTFFDJGFLFX-GHMZBOCLSA-N 1 0 248.330 0.826 20 30 BCEDRO N#CC1(CNC(=O)N[C@@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891876581 582733817 /nfs/dbraw/zinc/73/38/17/582733817.db2.gz SJGKLMOPZIPBPA-GXFFZTMASA-N 1 0 248.330 0.874 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)NCC1(C#N)CC1)C2 ZINC000891877006 582734323 /nfs/dbraw/zinc/73/43/23/582734323.db2.gz UYVNTTBSVUZUNR-CMPLNLGQSA-N 1 0 248.330 0.541 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891934962 582740589 /nfs/dbraw/zinc/74/05/89/582740589.db2.gz CWNIUMNHYNSZMV-MGCOHNPYSA-N 1 0 211.309 0.989 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCCC(C)(C)[NH3+] ZINC000891937587 582741352 /nfs/dbraw/zinc/74/13/52/582741352.db2.gz CMOKFSVWMWYFTJ-ZJUUUORDSA-N 1 0 241.335 0.757 20 30 BCEDRO C[NH+]=C(NCCN1CCOCC1)NCC(C)C ZINC000104152998 582791914 /nfs/dbraw/zinc/79/19/14/582791914.db2.gz ZFGIYZPDXADONT-UHFFFAOYSA-N 1 0 242.367 0.140 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1[C@@H](C)O ZINC000855867155 588852245 /nfs/dbraw/zinc/85/22/45/588852245.db2.gz CHACOJHQCZXRDW-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCCNC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000892240343 582811576 /nfs/dbraw/zinc/81/15/76/582811576.db2.gz ZEKHORKJYIBAKO-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C[NH+]=C(NCCN1CCOCC1)NC1CCC1 ZINC000849005665 582822296 /nfs/dbraw/zinc/82/22/96/582822296.db2.gz PNGATIAKYPHEPG-UHFFFAOYSA-N 1 0 240.351 0.036 20 30 BCEDRO C[NH+]=C(NCc1ccc(C#N)cn1)NC1CC1 ZINC000849020923 582828138 /nfs/dbraw/zinc/82/81/38/582828138.db2.gz WOXAALXMPQMEMG-UHFFFAOYSA-N 1 0 229.287 0.781 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ncccc1OC ZINC000849038119 582838555 /nfs/dbraw/zinc/83/85/55/582838555.db2.gz IOYXPLBBLZJPCV-UHFFFAOYSA-N 1 0 220.276 0.890 20 30 BCEDRO C#CCC[NH+]1CCN(c2cc(C)cnn2)CC1 ZINC000892314965 582838665 /nfs/dbraw/zinc/83/86/65/582838665.db2.gz ODGIPDRXSYWBBF-UHFFFAOYSA-N 1 0 230.315 0.930 20 30 BCEDRO CN(C)C(=[NH+]CCS(=O)(=O)C1CC1)N(C)C ZINC000849042767 582839818 /nfs/dbraw/zinc/83/98/18/582839818.db2.gz AIBBDPBRYDNEFC-UHFFFAOYSA-N 1 0 247.364 0.043 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892435246 582887253 /nfs/dbraw/zinc/88/72/53/582887253.db2.gz YZANPWQIEIEHLY-GMTAPVOTSA-N 1 0 223.320 0.825 20 30 BCEDRO C#C[C@H](NC(=O)C[NH+](C)C)C1CCOCC1 ZINC000856113990 588860857 /nfs/dbraw/zinc/86/08/57/588860857.db2.gz VGUJNROERQGCTF-NSHDSACASA-N 1 0 224.304 0.093 20 30 BCEDRO C#CCN(C(=O)NC[C@H]1C[C@@H]([NH3+])C1)C1CC1 ZINC000892550886 582910782 /nfs/dbraw/zinc/91/07/82/582910782.db2.gz BGHSQXOSKQFGFC-AOOOYVTPSA-N 1 0 221.304 0.531 20 30 BCEDRO C=CCCN(C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892558208 582913871 /nfs/dbraw/zinc/91/38/71/582913871.db2.gz ONYPURLGMPFNNH-AOOOYVTPSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892559875 582914466 /nfs/dbraw/zinc/91/44/66/582914466.db2.gz NNTLCDZJWFICMZ-LPEHRKFASA-N 1 0 211.309 0.988 20 30 BCEDRO C[C@@H]1CC[C@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000783252531 582953865 /nfs/dbraw/zinc/95/38/65/582953865.db2.gz SAHLNGBYERXBHP-CMPZMUMBSA-N 1 0 249.314 0.901 20 30 BCEDRO C[C@@H]1CC[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000783252532 582953929 /nfs/dbraw/zinc/95/39/29/582953929.db2.gz SAHLNGBYERXBHP-FLNMKHRVSA-N 1 0 249.314 0.901 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[C@@](C)(CO)C1 ZINC000856251554 588865559 /nfs/dbraw/zinc/86/55/59/588865559.db2.gz PLGZSBRZQWJTDB-DGCLKSJQSA-N 1 0 240.347 0.581 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000851858764 582971602 /nfs/dbraw/zinc/97/16/02/582971602.db2.gz FUMLUITXFZPMMM-LLVKDONJSA-N 1 0 213.321 0.975 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCN(CC)C1=O)[C@@H]1CCCO1 ZINC000851951113 582984420 /nfs/dbraw/zinc/98/44/20/582984420.db2.gz UXAVYUREUMPHNJ-TUAOUCFPSA-N 1 0 236.315 0.378 20 30 BCEDRO CC(C)([NH3+])CCNC(=O)N1CCO[C@@H](C#N)C1 ZINC000892859300 582998767 /nfs/dbraw/zinc/99/87/67/582998767.db2.gz WDODVLFUASUINQ-VIFPVBQESA-N 1 0 240.307 0.048 20 30 BCEDRO C#CCNC(=O)C[NH2+]C1(CCO)CCCC1 ZINC000852117929 583005278 /nfs/dbraw/zinc/00/52/78/583005278.db2.gz UJIAFCVXAUHTAZ-UHFFFAOYSA-N 1 0 224.304 0.021 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CC12CC(O)C2 ZINC000888949122 583015440 /nfs/dbraw/zinc/01/54/40/583015440.db2.gz SOZOGVDZRLFOQR-AKJDGMEZSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853111535 583028522 /nfs/dbraw/zinc/02/85/22/583028522.db2.gz XLIJQQRDEQVDGY-DGCLKSJQSA-N 1 0 236.315 0.889 20 30 BCEDRO C=CC[C@@H](CO)CNc1cc[nH+]cc1CO ZINC000893096046 583048455 /nfs/dbraw/zinc/04/84/55/583048455.db2.gz AWAYFVYALYDOID-SNVBAGLBSA-N 1 0 222.288 0.592 20 30 BCEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893112515 583051159 /nfs/dbraw/zinc/05/11/59/583051159.db2.gz FFAYEECFTGANHD-GUBZILKMSA-N 1 0 217.334 0.974 20 30 BCEDRO C#CCOCCNc1cc[nH+]cc1CO ZINC000893142966 583056531 /nfs/dbraw/zinc/05/65/31/583056531.db2.gz HYEYAYSUFJBCNF-UHFFFAOYSA-N 1 0 206.245 0.058 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]CCN2)cs1 ZINC000841658621 583157946 /nfs/dbraw/zinc/15/79/46/583157946.db2.gz BWGAIOHZIIUALY-UHFFFAOYSA-N 1 0 208.290 0.939 20 30 BCEDRO COc1cccc(C(C)=NNC2=[NH+]CCN2)c1 ZINC000841660274 583165197 /nfs/dbraw/zinc/16/51/97/583165197.db2.gz FDBQWEXKNUDDJC-UHFFFAOYSA-N 1 0 232.287 0.968 20 30 BCEDRO CCN(C)c1ccc(C=NNC2=[NH+]CCN2)cn1 ZINC000841660061 583165278 /nfs/dbraw/zinc/16/52/78/583165278.db2.gz DPHSMDRAHNGDSY-UHFFFAOYSA-N 1 0 246.318 0.420 20 30 BCEDRO Nc1ccc2c(c1)C(=NNC1=[NH+]CCN1)CCC2 ZINC000841661436 583166218 /nfs/dbraw/zinc/16/62/18/583166218.db2.gz XOVHZGQZEOGCQA-UHFFFAOYSA-N 1 0 243.314 0.858 20 30 BCEDRO C#CCC[C@H](O)CNc1cc[nH+]cc1CO ZINC000893674044 583193373 /nfs/dbraw/zinc/19/33/73/583193373.db2.gz VCIISLOOZZGBAH-NSHDSACASA-N 1 0 220.272 0.182 20 30 BCEDRO C#C[C@H]([NH2+]C1CCS(=O)CC1)[C@@H]1CCCO1 ZINC000893677353 583196191 /nfs/dbraw/zinc/19/61/91/583196191.db2.gz RWBHGYRMZFOSHW-SLMGRZLQSA-N 1 0 241.356 0.668 20 30 BCEDRO C#C[C@@H]([NH2+]C1CCS(=O)CC1)[C@H]1CCCO1 ZINC000893677354 583196220 /nfs/dbraw/zinc/19/62/20/583196220.db2.gz RWBHGYRMZFOSHW-YZUGKSJVSA-N 1 0 241.356 0.668 20 30 BCEDRO C#C[C@H]([NH2+]C1CCS(=O)CC1)[C@H]1CCCO1 ZINC000893677351 583196539 /nfs/dbraw/zinc/19/65/39/583196539.db2.gz RWBHGYRMZFOSHW-LZUBYRBGSA-N 1 0 241.356 0.668 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(c3cncc(C#N)n3)[C@@H]2C1 ZINC000893933801 583251778 /nfs/dbraw/zinc/25/17/78/583251778.db2.gz CUHGAVAHYPQVGQ-MWLCHTKSSA-N 1 0 229.287 0.489 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000893975830 583265206 /nfs/dbraw/zinc/26/52/06/583265206.db2.gz HYKSYFYJQOBVTK-BDAKNGLRSA-N 1 0 231.242 0.996 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)N(C)C[C@H](C)C#N ZINC000857114338 588890263 /nfs/dbraw/zinc/89/02/63/588890263.db2.gz SBAUEZNTOYJWMZ-BDAKNGLRSA-N 1 0 212.297 0.525 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000894107371 583306704 /nfs/dbraw/zinc/30/67/04/583306704.db2.gz CQHHAVCWVGDGCR-QWRGUYRKSA-N 1 0 238.335 0.930 20 30 BCEDRO CCON(C)C(=O)C[NH2+]C[C@H](C)CCC#N ZINC000877612638 583340095 /nfs/dbraw/zinc/34/00/95/583340095.db2.gz SFHWQAYGQSZXRU-SNVBAGLBSA-N 1 0 227.308 0.926 20 30 BCEDRO C#CC[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+]2CC)C1=O ZINC000877880760 583352446 /nfs/dbraw/zinc/35/24/46/583352446.db2.gz IPNCMTUYQWQNHL-UWVGGRQHSA-N 1 0 235.287 0.024 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857242502 588900784 /nfs/dbraw/zinc/90/07/84/588900784.db2.gz FUZSUUJVDNYFMO-GHMZBOCLSA-N 1 0 224.304 0.261 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@@H]1CC1(F)F ZINC000857238775 588900785 /nfs/dbraw/zinc/90/07/85/588900785.db2.gz CISOPHSOWZBUPC-SECBINFHSA-N 1 0 230.258 0.761 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@H](O)CC1 ZINC000878658526 583389556 /nfs/dbraw/zinc/38/95/56/583389556.db2.gz YULGQMQVEHHDCM-MNOVXSKESA-N 1 0 227.304 0.951 20 30 BCEDRO Cc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)nc1 ZINC000841184059 583418228 /nfs/dbraw/zinc/41/82/28/583418228.db2.gz ZDLNTOFEQBBEGO-VHSXEESVSA-N 1 0 245.286 0.623 20 30 BCEDRO C#C[C@@H]([NH2+]C1CCN(C=O)CC1)C(C)C ZINC000894387739 583444809 /nfs/dbraw/zinc/44/48/09/583444809.db2.gz USAMXQJYIODLQO-GFCCVEGCSA-N 1 0 208.305 0.855 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894432348 583457090 /nfs/dbraw/zinc/45/70/90/583457090.db2.gz YLYZDOGQCSDPNJ-RKDXNWHRSA-N 1 0 249.257 0.833 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1COCC1(C)C ZINC000894437454 583459928 /nfs/dbraw/zinc/45/99/28/583459928.db2.gz OOVCZIFWCIBQTF-SNVBAGLBSA-N 1 0 247.360 0.602 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCC3(C#N)CC3)[C@@H]2C1 ZINC000894568383 583485247 /nfs/dbraw/zinc/48/52/47/583485247.db2.gz BSXTYEHIBPLMQB-GHMZBOCLSA-N 1 0 248.330 0.636 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894573580 583486698 /nfs/dbraw/zinc/48/66/98/583486698.db2.gz FBKSGQPEMXEMDR-DJLDLDEBSA-N 1 0 231.242 0.994 20 30 BCEDRO C#CC[C@H](COC)Nc1cc[nH+]cc1CO ZINC000894830827 583527624 /nfs/dbraw/zinc/52/76/24/583527624.db2.gz UDJOYMOEJVSWJA-LLVKDONJSA-N 1 0 220.272 0.446 20 30 BCEDRO C[NH+](C)CC#CCNc1cc(Cl)n[nH]c1=O ZINC000894876565 583541836 /nfs/dbraw/zinc/54/18/36/583541836.db2.gz QKIXXSVIFAEYCJ-UHFFFAOYSA-N 1 0 240.694 0.813 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@H](O)CSC)CC1 ZINC000880484495 583543501 /nfs/dbraw/zinc/54/35/01/583543501.db2.gz XMAWSSAAFCNXFA-NSHDSACASA-N 1 0 243.372 0.561 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21)C(C)C ZINC000894933294 583556202 /nfs/dbraw/zinc/55/62/02/583556202.db2.gz INJLKBGYIBLFMK-FRRDWIJNSA-N 1 0 249.358 0.990 20 30 BCEDRO CON(C)C(=O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000895046708 583572346 /nfs/dbraw/zinc/57/23/46/583572346.db2.gz RARWQHQYVVQARS-BDAKNGLRSA-N 1 0 211.265 0.288 20 30 BCEDRO CON(C)C(=O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000895046710 583572423 /nfs/dbraw/zinc/57/24/23/583572423.db2.gz RARWQHQYVVQARS-IUCAKERBSA-N 1 0 211.265 0.288 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NC/C=C/Cl ZINC000895056545 583575303 /nfs/dbraw/zinc/57/53/03/583575303.db2.gz NXDUFPGZOADZQG-GQCTYLIASA-N 1 0 243.738 0.993 20 30 BCEDRO CCC[C@@H]1CN(c2ccc(C#N)nn2)CC[NH2+]1 ZINC000895057557 583575376 /nfs/dbraw/zinc/57/53/76/583575376.db2.gz GBMQNFQOVPDBPN-LLVKDONJSA-N 1 0 231.303 0.927 20 30 BCEDRO C#CCOCCNC(=O)N[C@H](C[NH3+])CCCC ZINC000841873984 583589886 /nfs/dbraw/zinc/58/98/86/583589886.db2.gz CIFQTWFIUWAKDA-NSHDSACASA-N 1 0 241.335 0.453 20 30 BCEDRO C(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1cncnc1 ZINC000814886114 583596869 /nfs/dbraw/zinc/59/68/69/583596869.db2.gz RZCXKAKXQVXDQO-PHIMTYICSA-N 1 0 244.302 0.671 20 30 BCEDRO CC(C)OC[C@@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895158927 583608271 /nfs/dbraw/zinc/60/82/71/583608271.db2.gz QXFQAYSLYQWHJI-NXEZZACHSA-N 1 0 230.308 0.770 20 30 BCEDRO CC[C@](C)(C[NH2+][C@H]1CCCN(O)C1=O)OC ZINC000895159085 583608426 /nfs/dbraw/zinc/60/84/26/583608426.db2.gz SEPAAECJJPZKSF-GXSJLCMTSA-N 1 0 230.308 0.771 20 30 BCEDRO CC[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)CCO1 ZINC000895159706 583608631 /nfs/dbraw/zinc/60/86/31/583608631.db2.gz XQQFWYWQWHUOCB-HBNTYKKESA-N 1 0 242.319 0.914 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCCN(O)C1=O ZINC000895160036 583608847 /nfs/dbraw/zinc/60/88/47/583608847.db2.gz JUFMOHLRWRYCOJ-ZJUUUORDSA-N 1 0 225.292 0.896 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160033 583608919 /nfs/dbraw/zinc/60/89/19/583608919.db2.gz JUFMOHLRWRYCOJ-VHSXEESVSA-N 1 0 225.292 0.896 20 30 BCEDRO CC[C@@H](COC)[NH2+][C@H]1CCCN(O)C1=O ZINC000895160213 583609272 /nfs/dbraw/zinc/60/92/72/583609272.db2.gz KWVNVALXWFFQEN-IUCAKERBSA-N 1 0 216.281 0.381 20 30 BCEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CCO1 ZINC000895161866 583610329 /nfs/dbraw/zinc/61/03/29/583610329.db2.gz IEOKKEKWPIFPHM-UTLUCORTSA-N 1 0 228.292 0.524 20 30 BCEDRO O=C1[C@@H]([NH2+]C[C@@H]2CCC=CO2)CCCN1O ZINC000895161850 583610365 /nfs/dbraw/zinc/61/03/65/583610365.db2.gz VBOXHBSNPSVUBL-UWVGGRQHSA-N 1 0 226.276 0.649 20 30 BCEDRO COCC(C)(C)C[NH2+][C@H]1CCCN(O)C1=O ZINC000895161727 583610456 /nfs/dbraw/zinc/61/04/56/583610456.db2.gz UFVFGBKPCHEZHL-VIFPVBQESA-N 1 0 230.308 0.629 20 30 BCEDRO O=C1[C@H]([NH2+]C2CC(C(F)F)C2)CCCN1O ZINC000895162419 583610853 /nfs/dbraw/zinc/61/08/53/583610853.db2.gz ZEHFDGXANFSZAD-KAVNDROISA-N 1 0 234.246 1.000 20 30 BCEDRO O=C1[C@@H]([NH2+][C@H]2CCCSC2)CCCN1O ZINC000895163027 583611105 /nfs/dbraw/zinc/61/11/05/583611105.db2.gz PMZABBGCRKUPAM-IUCAKERBSA-N 1 0 230.333 0.852 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C)CC[NH3+])[C@H]1CCCO1 ZINC000841882164 583626465 /nfs/dbraw/zinc/62/64/65/583626465.db2.gz WXZBYWUVNLBCOL-OUAUKWLOSA-N 1 0 239.319 0.204 20 30 BCEDRO C[N@H+](CCO)CCNc1ccc(C#N)cc1CO ZINC000895240131 583631006 /nfs/dbraw/zinc/63/10/06/583631006.db2.gz CGYHNFXRKNRGLB-UHFFFAOYSA-N 1 0 249.314 0.387 20 30 BCEDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000895325862 583651126 /nfs/dbraw/zinc/65/11/26/583651126.db2.gz VEIWFKXVZMAOOK-QWHCGFSZSA-N 1 0 247.298 0.271 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000841887159 583656950 /nfs/dbraw/zinc/65/69/50/583656950.db2.gz ZJPLIEHIMVCEPT-VIFPVBQESA-N 1 0 245.273 0.696 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2cnn(C=C)c2)CC1 ZINC000895384923 583661997 /nfs/dbraw/zinc/66/19/97/583661997.db2.gz VERMFFYRRNAUGI-UHFFFAOYSA-N 1 0 231.299 0.944 20 30 BCEDRO C=C[C@H](C)ONC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000895578721 583694820 /nfs/dbraw/zinc/69/48/20/583694820.db2.gz RYFZDQFAILZEHD-GARJFASQSA-N 1 0 239.319 0.696 20 30 BCEDRO C=C(C)CONC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000895579371 583694915 /nfs/dbraw/zinc/69/49/15/583694915.db2.gz QEMRXBRPPGLZDT-QWRGUYRKSA-N 1 0 239.319 0.840 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000895679880 583705604 /nfs/dbraw/zinc/70/56/04/583705604.db2.gz RMQIDWRDERAYED-QWRGUYRKSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C1CCN(C=O)CC1 ZINC000895670209 583706390 /nfs/dbraw/zinc/70/63/90/583706390.db2.gz BTPHMXQKWYJOLJ-LBPRGKRZSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000895672256 583706830 /nfs/dbraw/zinc/70/68/30/583706830.db2.gz QHQDBKGDYDXFSM-UMSGYPCISA-N 1 0 241.331 0.807 20 30 BCEDRO COC(=O)[C@]1(O)CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000895704796 583710246 /nfs/dbraw/zinc/71/02/46/583710246.db2.gz YNAOIVGSEMKAAZ-PWSUYJOCSA-N 1 0 240.303 0.536 20 30 BCEDRO C#CCSCC(=O)N1CCC([NH+](C)C)CC1 ZINC000895697186 583710627 /nfs/dbraw/zinc/71/06/27/583710627.db2.gz MWMOIDIEBLGFSE-UHFFFAOYSA-N 1 0 240.372 0.905 20 30 BCEDRO CN(C)c1ccc(C=NNC(N)=[NH2+])cc1F ZINC000727649678 583714963 /nfs/dbraw/zinc/71/49/63/583714963.db2.gz CJCSKKUDAZQEDJ-UHFFFAOYSA-N 1 0 223.255 0.709 20 30 BCEDRO C#Cc1cnc(N[C@H]2CC[N@H+](C)[C@@H]2C)nc1 ZINC000895736278 583718151 /nfs/dbraw/zinc/71/81/51/583718151.db2.gz IXDLKPJRXLWXKF-KOLCDFICSA-N 1 0 216.288 0.962 20 30 BCEDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000895796782 583730211 /nfs/dbraw/zinc/73/02/11/583730211.db2.gz PKGNVTHKUZKQQO-ZNSHCXBVSA-N 1 0 242.344 0.701 20 30 BCEDRO C#CCSCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000895795270 583730398 /nfs/dbraw/zinc/73/03/98/583730398.db2.gz UOHJPEWVEYSWMX-NSHDSACASA-N 1 0 240.372 0.809 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cn2ccnc2s1 ZINC000895965106 583753759 /nfs/dbraw/zinc/75/37/59/583753759.db2.gz RQOLPROEKJGOQL-SECBINFHSA-N 1 0 235.312 0.870 20 30 BCEDRO C#CCSCC(=O)NCC[NH2+]C(C)(C)C ZINC000896505287 583807973 /nfs/dbraw/zinc/80/79/73/583807973.db2.gz HDJNNEPUJVQQOI-UHFFFAOYSA-N 1 0 228.361 0.857 20 30 BCEDRO C#C[C@@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000896619076 583817993 /nfs/dbraw/zinc/81/79/93/583817993.db2.gz JHLHIWMYWFBABR-NEPJUHHUSA-N 1 0 235.331 0.888 20 30 BCEDRO C#CCSCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000896665758 583821923 /nfs/dbraw/zinc/82/19/23/583821923.db2.gz CAXUGMJRMDWPBS-MNOVXSKESA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCSCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000896708768 583825496 /nfs/dbraw/zinc/82/54/96/583825496.db2.gz WVBUPFHWFUAYFS-JTQLQIEISA-N 1 0 228.361 0.809 20 30 BCEDRO CC1(C)CC[N@H+](CCNc2ncncc2C#N)C1 ZINC000897249125 583902676 /nfs/dbraw/zinc/90/26/76/583902676.db2.gz MROWIYNBSREKMI-UHFFFAOYSA-N 1 0 245.330 0.914 20 30 BCEDRO C=CCONC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000841913392 583904166 /nfs/dbraw/zinc/90/41/66/583904166.db2.gz MUOISPJOHNFUIO-JTQLQIEISA-N 1 0 227.308 0.935 20 30 BCEDRO C=CCONC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000841913882 583906497 /nfs/dbraw/zinc/90/64/97/583906497.db2.gz WIKNTDSPEUOAOA-SNVBAGLBSA-N 1 0 227.308 0.874 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](O)c1ccnn1C ZINC000897302850 583912420 /nfs/dbraw/zinc/91/24/20/583912420.db2.gz YKBPSMKENZFYPV-JQWIXIFHSA-N 1 0 236.319 0.983 20 30 BCEDRO C=CCCOCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872205182 583948689 /nfs/dbraw/zinc/94/86/89/583948689.db2.gz VDHKGXRJPBEFLV-LLVKDONJSA-N 1 0 231.336 0.691 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000393674882 583957268 /nfs/dbraw/zinc/95/72/68/583957268.db2.gz TWJKNDHUOSUJCN-VIFPVBQESA-N 1 0 221.322 0.212 20 30 BCEDRO C#C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000897433857 583973695 /nfs/dbraw/zinc/97/36/95/583973695.db2.gz FYOVOCHGJLZXQY-GRYCIOLGSA-N 1 0 236.315 0.378 20 30 BCEDRO C#C[C@@H](NC(=O)[C@@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000897433860 583973831 /nfs/dbraw/zinc/97/38/31/583973831.db2.gz FYOVOCHGJLZXQY-WOPDTQHZSA-N 1 0 236.315 0.378 20 30 BCEDRO C#CCCNC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000897434812 583975041 /nfs/dbraw/zinc/97/50/41/583975041.db2.gz BTNVEQFLTCJTDL-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1cnn(C)c1 ZINC000858333449 588946427 /nfs/dbraw/zinc/94/64/27/588946427.db2.gz GXLNYGMHYWLOEN-GFCCVEGCSA-N 1 0 221.304 0.938 20 30 BCEDRO C=CCN(C)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897444816 583985537 /nfs/dbraw/zinc/98/55/37/583985537.db2.gz SKNZKNDKVZEJSX-UHFFFAOYSA-N 1 0 238.331 0.742 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cnnn1CC ZINC000858335026 588947117 /nfs/dbraw/zinc/94/71/17/588947117.db2.gz UPGFVRPPPCRCIW-JTQLQIEISA-N 1 0 222.292 0.426 20 30 BCEDRO C#CC[C@H](COC)NC(=O)[C@H](C)[NH+](C)C ZINC000863801112 583996460 /nfs/dbraw/zinc/99/64/60/583996460.db2.gz VGUSNPMDNMZDSF-VHSXEESVSA-N 1 0 212.293 0.091 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864461663 584007282 /nfs/dbraw/zinc/00/72/82/584007282.db2.gz FUNCPHNZDOWEFI-DTWKUNHWSA-N 1 0 245.348 0.110 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897555682 584017774 /nfs/dbraw/zinc/01/77/74/584017774.db2.gz VWQDNNHCDPFHIX-RYUDHWBXSA-N 1 0 236.315 0.235 20 30 BCEDRO C=CCNC(=S)N(CCOC)CC[NH+](C)C ZINC000729645561 584021240 /nfs/dbraw/zinc/02/12/40/584021240.db2.gz QOHGDBIHPANAIT-UHFFFAOYSA-N 1 0 245.392 0.557 20 30 BCEDRO C#CCSCC(=O)NC[C@H](C)C[NH+](C)C ZINC000897824196 584052122 /nfs/dbraw/zinc/05/21/22/584052122.db2.gz WXVKLYDHFNCXAN-JTQLQIEISA-N 1 0 228.361 0.667 20 30 BCEDRO Cn1nnnc1CCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000898039864 584080090 /nfs/dbraw/zinc/08/00/90/584080090.db2.gz IMCKWXFOGBOEFS-QWRGUYRKSA-N 1 0 248.334 0.815 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C1CC1 ZINC000730105417 584123725 /nfs/dbraw/zinc/12/37/25/584123725.db2.gz HYAAHNGMJSYSDN-NSHDSACASA-N 1 0 206.289 0.705 20 30 BCEDRO C#CCOCCNc1cc[nH+]c(CO)c1 ZINC000858482075 588959474 /nfs/dbraw/zinc/95/94/74/588959474.db2.gz MCKMRFFCSSPSGF-UHFFFAOYSA-N 1 0 206.245 0.636 20 30 BCEDRO N#CC1(CC(=O)N2CC([NH+]3CCCC3)C2)CC1 ZINC000898605250 584144432 /nfs/dbraw/zinc/14/44/32/584144432.db2.gz RHISNAYLDHZDHG-UHFFFAOYSA-N 1 0 233.315 0.987 20 30 BCEDRO C=CCCOCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898612946 584146067 /nfs/dbraw/zinc/14/60/67/584146067.db2.gz PVQLAFWPQFBQNW-UHFFFAOYSA-N 1 0 238.331 0.886 20 30 BCEDRO C#CCSCC(=O)NCC[C@H](C)[NH+](C)C ZINC000898669348 584148518 /nfs/dbraw/zinc/14/85/18/584148518.db2.gz OKZQAWFHEXTTTI-JTQLQIEISA-N 1 0 228.361 0.809 20 30 BCEDRO C=C1CN(C(=O)[C@@H]2COCCN2CC)C1 ZINC000898699414 584149937 /nfs/dbraw/zinc/14/99/37/584149937.db2.gz KBWMEZUUXKKWAU-JTQLQIEISA-N 1 0 210.277 0.106 20 30 BCEDRO C#CC1(F)CN(C(=O)[C@H]2CC[N@H+](C)[C@@H]2CC)C1 ZINC000899216647 584182212 /nfs/dbraw/zinc/18/22/12/584182212.db2.gz VXSNILDRHAJFPV-WDEREUQCSA-N 1 0 238.306 0.900 20 30 BCEDRO C#CCNC(=O)N1CC[C@]2(C1)CCCC[NH2+]2 ZINC000899245058 584186143 /nfs/dbraw/zinc/18/61/43/584186143.db2.gz KJGPBTKKNRYZDM-LBPRGKRZSA-N 1 0 221.304 0.547 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]2CC[C@]21C[NH3+] ZINC000899244379 584186220 /nfs/dbraw/zinc/18/62/20/584186220.db2.gz AGVZOCMCMSIOHK-JQWIXIFHSA-N 1 0 221.304 0.533 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CCCCC[NH2+]1 ZINC000899249136 584188213 /nfs/dbraw/zinc/18/82/13/584188213.db2.gz UUMBKMHYEWDOIW-JTQLQIEISA-N 1 0 209.293 0.451 20 30 BCEDRO C=CCNC(=O)N1CC[NH2+]C[C@@H]1CCOC ZINC000899249404 584188488 /nfs/dbraw/zinc/18/84/88/584188488.db2.gz YYBTVNUVONPVIN-JTQLQIEISA-N 1 0 227.308 0.192 20 30 BCEDRO CNC(NCc1cc(C2CC2)n(C)n1)=[NH+]C ZINC000899262592 584190337 /nfs/dbraw/zinc/19/03/37/584190337.db2.gz NLPHHPDRJWNONK-UHFFFAOYSA-N 1 0 221.308 0.592 20 30 BCEDRO CCNC(NCc1cn(C)cn1)=[NH+]CC ZINC000899263812 584190920 /nfs/dbraw/zinc/19/09/20/584190920.db2.gz PHYVNTMXNQUTID-UHFFFAOYSA-N 1 0 209.297 0.495 20 30 BCEDRO CNC(NCc1ccc2nonc2c1)=[NH+]C ZINC000899263664 584190940 /nfs/dbraw/zinc/19/09/40/584190940.db2.gz HVBDFIQSNFSUJR-UHFFFAOYSA-N 1 0 219.248 0.518 20 30 BCEDRO C#CCNC(=S)NCC[N@H+]1CCC(C)(C)C1 ZINC000899669863 584223498 /nfs/dbraw/zinc/22/34/98/584223498.db2.gz CRUSMJVNPUUUHN-UHFFFAOYSA-N 1 0 239.388 0.816 20 30 BCEDRO C#C[C@@H]1CCCCN1C(=S)NCC[NH+](C)C ZINC000899682500 584224162 /nfs/dbraw/zinc/22/41/62/584224162.db2.gz MKJKWEIQXKBVKJ-LLVKDONJSA-N 1 0 239.388 0.910 20 30 BCEDRO C#C[C@H]1CCCCN1C(=S)NCC[NH+](C)C ZINC000899682501 584224227 /nfs/dbraw/zinc/22/42/27/584224227.db2.gz MKJKWEIQXKBVKJ-NSHDSACASA-N 1 0 239.388 0.910 20 30 BCEDRO C#CCC(C)(C)C(=O)NCC[N@H+](C)CCO ZINC000899737163 584231367 /nfs/dbraw/zinc/23/13/67/584231367.db2.gz AUEKKXDSUMMXTB-UHFFFAOYSA-N 1 0 226.320 0.076 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC000899909466 584249684 /nfs/dbraw/zinc/24/96/84/584249684.db2.gz OUOKKSBYJZKCRZ-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(CC)CC1 ZINC000899908087 584251876 /nfs/dbraw/zinc/25/18/76/584251876.db2.gz SFQALJZXFMHEDK-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C#CCSCC(=O)N1CCC[N@@H+](C)CC1 ZINC000899934807 584257586 /nfs/dbraw/zinc/25/75/86/584257586.db2.gz IIBGFWKYWZRGAM-UHFFFAOYSA-N 1 0 226.345 0.517 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCCC(=O)OC ZINC000900013200 584263324 /nfs/dbraw/zinc/26/33/24/584263324.db2.gz SJGRNFNKYFDKKT-UHFFFAOYSA-N 1 0 242.319 0.564 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCOC[C@@H]1C ZINC000900161523 584281126 /nfs/dbraw/zinc/28/11/26/584281126.db2.gz XHKCMOGNWVPMJY-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccc(=O)n(C)c1 ZINC000900307094 584293112 /nfs/dbraw/zinc/29/31/12/584293112.db2.gz XXROISJOSCOSLM-UHFFFAOYSA-N 1 0 249.314 0.832 20 30 BCEDRO C[C@H](CC#N)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900432179 584308972 /nfs/dbraw/zinc/30/89/72/584308972.db2.gz BZAZUMTYORLRES-PWSUYJOCSA-N 1 0 239.319 0.252 20 30 BCEDRO C[N@@H+]1C[C@H](O)C[C@@]1(C)C(=O)NCCCCC#N ZINC000900572377 584326651 /nfs/dbraw/zinc/32/66/51/584326651.db2.gz GGRMLCFKTCFWRC-PWSUYJOCSA-N 1 0 239.319 0.252 20 30 BCEDRO C[N@@H+]1C[C@H](O)C[C@]1(C)C(=O)NCCCCC#N ZINC000900572379 584327021 /nfs/dbraw/zinc/32/70/21/584327021.db2.gz GGRMLCFKTCFWRC-ZYHUDNBSSA-N 1 0 239.319 0.252 20 30 BCEDRO C[N@@H+]1C[C@@H](O)C[C@]1(C)C(=O)NCCCCC#N ZINC000900572371 584327027 /nfs/dbraw/zinc/32/70/27/584327027.db2.gz GGRMLCFKTCFWRC-CMPLNLGQSA-N 1 0 239.319 0.252 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCS(=O)CC1 ZINC000900574294 584327492 /nfs/dbraw/zinc/32/74/92/584327492.db2.gz RDAQAMIACPESAZ-UHFFFAOYSA-N 1 0 244.360 0.085 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](O)/C=C/C)CC1 ZINC000900598522 584330112 /nfs/dbraw/zinc/33/01/12/584330112.db2.gz HQEALLQZMXLXDN-PYEVWLCESA-N 1 0 238.331 0.690 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H](O)/C=C/C)CC1 ZINC000900598521 584330411 /nfs/dbraw/zinc/33/04/11/584330411.db2.gz HQEALLQZMXLXDN-OGOUPESXSA-N 1 0 238.331 0.690 20 30 BCEDRO C/C=C/[C@@H](O)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000900607547 584330635 /nfs/dbraw/zinc/33/06/35/584330635.db2.gz DPOYGQAOZROTPL-HMDXOVGESA-N 1 0 237.303 0.028 20 30 BCEDRO C/C=C\[C@@H](O)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000900607548 584330969 /nfs/dbraw/zinc/33/09/69/584330969.db2.gz DPOYGQAOZROTPL-UMBAGQNISA-N 1 0 237.303 0.028 20 30 BCEDRO C=C1CCN(C(=O)[C@]2(C)C[C@@H](O)C[N@H+]2C)CC1 ZINC000900585565 584331695 /nfs/dbraw/zinc/33/16/95/584331695.db2.gz UIPGJJMHIRLZFA-YPMHNXCESA-N 1 0 238.331 0.620 20 30 BCEDRO C[C@H](C#N)CNC(=O)c1ccnn1CC[NH+](C)C ZINC000900648618 584335163 /nfs/dbraw/zinc/33/51/63/584335163.db2.gz IFWZIUDNOAXVPE-SNVBAGLBSA-N 1 0 249.318 0.334 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)Cc1cc[nH]n1 ZINC000900673734 584340024 /nfs/dbraw/zinc/34/00/24/584340024.db2.gz GNPRSXJDYNLDOM-UHFFFAOYSA-N 1 0 236.319 0.876 20 30 BCEDRO C#CCSCC(=O)NCCCC[NH+](C)C ZINC000900688384 584341330 /nfs/dbraw/zinc/34/13/30/584341330.db2.gz HSVPKXJXXNHABS-UHFFFAOYSA-N 1 0 228.361 0.811 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC[C@H](C)O ZINC000900755101 584345409 /nfs/dbraw/zinc/34/54/09/584345409.db2.gz MVVHKGHQJVQXHP-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(Cl)CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900759637 584346012 /nfs/dbraw/zinc/34/60/12/584346012.db2.gz KYSQQFPJMZJNPI-LLVKDONJSA-N 1 0 246.738 0.702 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)Cc1cnccn1 ZINC000900748868 584348960 /nfs/dbraw/zinc/34/89/60/584348960.db2.gz SAOLWGIIJKSPRT-UHFFFAOYSA-N 1 0 248.330 0.943 20 30 BCEDRO C[C@@H](NC(=O)C#CC1CC1)[C@@H]1C[N@H+](C)CCN1C ZINC000900809875 584355608 /nfs/dbraw/zinc/35/56/08/584355608.db2.gz FBFFLVPCGGOTAT-YPMHNXCESA-N 1 0 249.358 0.150 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CC[S@](C)=O ZINC000900885131 584361368 /nfs/dbraw/zinc/36/13/68/584361368.db2.gz VFKIBORKBWTVRW-QFYYESIMSA-N 1 0 246.376 0.378 20 30 BCEDRO C#CCCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900868907 584363168 /nfs/dbraw/zinc/36/31/68/584363168.db2.gz CDVIHHUQGBXZIL-ZDUSSCGKSA-N 1 0 238.331 0.363 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@H]1CCOC1 ZINC000900959167 584371453 /nfs/dbraw/zinc/37/14/53/584371453.db2.gz ODBXYTVJPICADG-GFCCVEGCSA-N 1 0 240.347 0.989 20 30 BCEDRO C#CCCCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000901034327 584376058 /nfs/dbraw/zinc/37/60/58/584376058.db2.gz JNGHGBIWRITOPX-WCQYABFASA-N 1 0 238.331 0.361 20 30 BCEDRO CCc1onc(C)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000901215508 584401452 /nfs/dbraw/zinc/40/14/52/584401452.db2.gz JXDSZDAUQGVYIO-ZETCQYMHSA-N 1 0 235.291 0.817 20 30 BCEDRO C[C@H]1C(N=Nc2ccnn2C)CC[N@@H+]1C ZINC000901219918 584403174 /nfs/dbraw/zinc/40/31/74/584403174.db2.gz JDXGFUHBRJUTLS-QMMMGPOBSA-N 1 0 207.281 0.912 20 30 BCEDRO Cc1nc(C=NNC2=[NH+]CCN2)sc1C ZINC000901253053 584403696 /nfs/dbraw/zinc/40/36/96/584403696.db2.gz WQDXVKMPNWKUKN-UHFFFAOYSA-N 1 0 223.305 0.643 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]CCN2)cnc1F ZINC000901252599 584410023 /nfs/dbraw/zinc/41/00/23/584410023.db2.gz JZLBACHVXPWSFP-UHFFFAOYSA-N 1 0 221.239 0.412 20 30 BCEDRO CC(=NN[C@H]1CCCOC1)c1c[nH]c(N)[nH+]1 ZINC000901222965 584411503 /nfs/dbraw/zinc/41/15/03/584411503.db2.gz WKZIMAHIWPUKGO-QMMMGPOBSA-N 1 0 223.280 0.485 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@](C)(O)C1 ZINC000901274887 584413012 /nfs/dbraw/zinc/41/30/12/584413012.db2.gz BSUVEHUVWYZHQQ-ZDUSSCGKSA-N 1 0 240.347 0.868 20 30 BCEDRO C[C@H]1C(N=N[C@@H]2CCCC[C@H]2O)CC[N@@H+]1C ZINC000901332708 584425072 /nfs/dbraw/zinc/42/50/72/584425072.db2.gz KTAACVAFNUFYTI-MVWJERBFSA-N 1 0 225.336 0.960 20 30 BCEDRO C=C(C)CN(C)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901348830 584431142 /nfs/dbraw/zinc/43/11/42/584431142.db2.gz DRLJSCMDHPPRPS-PWSUYJOCSA-N 1 0 226.320 0.476 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902848785 584681634 /nfs/dbraw/zinc/68/16/34/584681634.db2.gz XSWVOORBUIVHLZ-IUCAKERBSA-N 1 0 232.287 0.868 20 30 BCEDRO C[C@H]([NH2+]C[C@]1(O)CCOC1)c1cc(C#N)ccn1 ZINC000902887273 584689273 /nfs/dbraw/zinc/68/92/73/584689273.db2.gz GONHVZWGHPGJBM-GXFFZTMASA-N 1 0 247.298 0.755 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cn(C)nn1 ZINC000902894983 584690777 /nfs/dbraw/zinc/69/07/77/584690777.db2.gz QSTDVRNWTPGFJP-NXEZZACHSA-N 1 0 224.308 0.650 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000902894985 584690827 /nfs/dbraw/zinc/69/08/27/584690827.db2.gz QSTDVRNWTPGFJP-VHSXEESVSA-N 1 0 224.308 0.650 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000902934528 584699922 /nfs/dbraw/zinc/69/99/22/584699922.db2.gz QBISUSNIAQSUBU-SNVBAGLBSA-N 1 0 218.260 0.320 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2noc(C)n2)CC1 ZINC000902940203 584701356 /nfs/dbraw/zinc/70/13/56/584701356.db2.gz MWPLQGPIFYKXBF-UHFFFAOYSA-N 1 0 248.286 0.205 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)OC2COC2)CC1 ZINC000902968269 584703165 /nfs/dbraw/zinc/70/31/65/584703165.db2.gz BQDSGYVFWCCLPX-UHFFFAOYSA-N 1 0 238.287 0.209 20 30 BCEDRO COC[C@@H](O)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902983462 584708997 /nfs/dbraw/zinc/70/89/97/584708997.db2.gz ZSGVRIWRQIZUCV-KOLCDFICSA-N 1 0 235.287 0.611 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903031904 584718670 /nfs/dbraw/zinc/71/86/70/584718670.db2.gz UNHYIZZYMVAMJY-JTQLQIEISA-N 1 0 202.261 0.596 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903022676 584720546 /nfs/dbraw/zinc/72/05/46/584720546.db2.gz KILYOOQWQIJKNI-GHMZBOCLSA-N 1 0 247.302 0.237 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903132374 584730485 /nfs/dbraw/zinc/73/04/85/584730485.db2.gz PGSVKWILTFDAKI-XQQFMLRXSA-N 1 0 241.331 0.709 20 30 BCEDRO N#CCCC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903147847 584732146 /nfs/dbraw/zinc/73/21/46/584732146.db2.gz ODDXLJFGGDPICV-GHMZBOCLSA-N 1 0 210.277 0.828 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCC[C@H]1OC ZINC000903147631 584732213 /nfs/dbraw/zinc/73/22/13/584732213.db2.gz LUZPKPPZADAESI-WDEREUQCSA-N 1 0 247.360 0.744 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000903467396 584774521 /nfs/dbraw/zinc/77/45/21/584774521.db2.gz AYYJCNQQGUQIQM-GHMZBOCLSA-N 1 0 237.347 0.551 20 30 BCEDRO C=CCN1CC[C@@H](N[C@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472981 584775920 /nfs/dbraw/zinc/77/59/20/584775920.db2.gz YJJMTNRJKFBROE-NEPJUHHUSA-N 1 0 249.358 0.648 20 30 BCEDRO CN(CC[NH3+])S(=O)(=O)c1ccsc1C#N ZINC000903503628 584779969 /nfs/dbraw/zinc/77/99/69/584779969.db2.gz HXLZOTJMUGITLK-UHFFFAOYSA-N 1 0 245.329 0.199 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000903563705 584782319 /nfs/dbraw/zinc/78/23/19/584782319.db2.gz JXXKJXCWNKFLQJ-RYUDHWBXSA-N 1 0 235.331 0.743 20 30 BCEDRO C=CCCCN(CC)S(=O)(=O)C1C[NH2+]C1 ZINC000903587208 584783539 /nfs/dbraw/zinc/78/35/39/584783539.db2.gz XUADQJVMXXWYAO-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903588846 584783681 /nfs/dbraw/zinc/78/36/81/584783681.db2.gz KZFFRUUDMSFPJW-WDEREUQCSA-N 1 0 244.360 0.706 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000903592057 584785156 /nfs/dbraw/zinc/78/51/56/584785156.db2.gz AUTAWONEGZXHNF-LLVKDONJSA-N 1 0 244.360 0.720 20 30 BCEDRO C[C@@]1(C#N)CN(C[C@@H]2CC[NH2+]C2)CCO1 ZINC000903823241 584804414 /nfs/dbraw/zinc/80/44/14/584804414.db2.gz FCNRVIZHHVDILJ-GHMZBOCLSA-N 1 0 209.293 0.210 20 30 BCEDRO C[C@@]1(C#N)CN(C[C@H]2CCC[NH2+]2)CCO1 ZINC000903824626 584804703 /nfs/dbraw/zinc/80/47/03/584804703.db2.gz SCSKISUXDWWBDY-GHMZBOCLSA-N 1 0 209.293 0.353 20 30 BCEDRO C=CCC[C@@H](O)CN1CC[NH2+]C[C@@H]1COC ZINC000903881025 584817184 /nfs/dbraw/zinc/81/71/84/584817184.db2.gz BARLYYSMBVYZCG-VXGBXAGGSA-N 1 0 228.336 0.234 20 30 BCEDRO COC[C@@H]1C[NH2+]CCN1Cc1ccc(C#N)cc1 ZINC000903880848 584817215 /nfs/dbraw/zinc/81/72/15/584817215.db2.gz NGZSTLWTNWFYPX-AWEZNQCLSA-N 1 0 245.326 0.978 20 30 BCEDRO Cc1noc(C2CC3(C2)C[NH2+]C[C@H]3C#N)n1 ZINC000904081085 584840110 /nfs/dbraw/zinc/84/01/10/584840110.db2.gz IUZZLCINOKVQAE-INWMGODYSA-N 1 0 218.260 0.985 20 30 BCEDRO CCC(C#N)(CC)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801916 584887193 /nfs/dbraw/zinc/88/71/93/584887193.db2.gz KHQWHVKKSYOKQP-ZJUUUORDSA-N 1 0 234.303 0.544 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)Cc1ccc(C#N)nc1 ZINC000877107749 584890370 /nfs/dbraw/zinc/89/03/70/584890370.db2.gz LDJFMAUYYXDBCI-SECBINFHSA-N 1 0 232.287 0.301 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000730279222 584898675 /nfs/dbraw/zinc/89/86/75/584898675.db2.gz LZEHQHNDMKBIMS-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CC1CC[NH+](CCCS(C)(=O)=O)CC1 ZINC000830321677 584908307 /nfs/dbraw/zinc/90/83/07/584908307.db2.gz WZWAXKVJKCHHMX-UHFFFAOYSA-N 1 0 229.345 0.766 20 30 BCEDRO COCCC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834479609 584913617 /nfs/dbraw/zinc/91/36/17/584913617.db2.gz GSOILLKMHIBAAS-VHSXEESVSA-N 1 0 237.303 0.031 20 30 BCEDRO C[C@@H]1CC/C(=C/C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000834500540 584913783 /nfs/dbraw/zinc/91/37/83/584913783.db2.gz UKPCOKMICOVSJD-IHQRNPBKSA-N 1 0 233.315 0.961 20 30 BCEDRO C=CCNC(=S)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000730954628 584920636 /nfs/dbraw/zinc/92/06/36/584920636.db2.gz FXVWWNBAHJDIFD-JTQLQIEISA-N 1 0 227.377 0.978 20 30 BCEDRO C(=NNCC[NH+]1CCCCC1)c1ncc[nH]1 ZINC000731151171 584922667 /nfs/dbraw/zinc/92/26/67/584922667.db2.gz IRUFBNCZVVTUKY-UHFFFAOYSA-N 1 0 221.308 0.819 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CCCO1 ZINC000764469005 584926869 /nfs/dbraw/zinc/92/68/69/584926869.db2.gz AFKHTFFDDLEJMD-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N1CCC(O)CC1 ZINC000732056876 584933287 /nfs/dbraw/zinc/93/32/87/584933287.db2.gz DYZYOZYBADBUIE-LBPRGKRZSA-N 1 0 236.315 0.067 20 30 BCEDRO CC(C)[C@@H](C(=O)Nc1cnn(CC#N)c1)[NH+](C)C ZINC000732065190 584933441 /nfs/dbraw/zinc/93/34/41/584933441.db2.gz UXKFFVJKFDQHMU-NSHDSACASA-N 1 0 249.318 0.931 20 30 BCEDRO C[NH2+]C[C@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884040372 584939687 /nfs/dbraw/zinc/93/96/87/584939687.db2.gz RGULSOBFDYFYSJ-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000733345981 584947019 /nfs/dbraw/zinc/94/70/19/584947019.db2.gz AJKBEPYDSIZMIF-VXGBXAGGSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000733337517 584947069 /nfs/dbraw/zinc/94/70/69/584947069.db2.gz OTQVURRIJRURNE-UHFFFAOYSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000733997645 584956125 /nfs/dbraw/zinc/95/61/25/584956125.db2.gz SZCVZSPQUFYLMK-RYUDHWBXSA-N 1 0 238.331 0.361 20 30 BCEDRO N#CCCN1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000734149484 584957584 /nfs/dbraw/zinc/95/75/84/584957584.db2.gz ANLKVLPVJHBJQC-LBPRGKRZSA-N 1 0 223.320 0.289 20 30 BCEDRO C=CC[C@@H](C)NC(=S)NCC[NH+](C)C ZINC000734985099 584970868 /nfs/dbraw/zinc/97/08/68/584970868.db2.gz AMGAGELLPKLMBN-SECBINFHSA-N 1 0 215.366 0.977 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889221771 584999888 /nfs/dbraw/zinc/99/98/88/584999888.db2.gz RDZZLLUCNOLIMG-SNVBAGLBSA-N 1 0 224.304 0.230 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCC[NH+]1CCC1 ZINC000820647590 585014048 /nfs/dbraw/zinc/01/40/48/585014048.db2.gz SSPIEUKCAQAPSX-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO Cc1nccc(C=NNC2=[NH+]C[C@@H](C)N2)n1 ZINC000814897387 585018526 /nfs/dbraw/zinc/01/85/26/585018526.db2.gz JLNXRFMFNNTLDE-SSDOTTSWSA-N 1 0 218.264 0.056 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000822761900 585027335 /nfs/dbraw/zinc/02/73/35/585027335.db2.gz FVQSUEXWSXOCBN-WDEREUQCSA-N 1 0 236.315 0.378 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]2COC[C@@H]21 ZINC000838230746 585049378 /nfs/dbraw/zinc/04/93/78/585049378.db2.gz ZLQIPXKFNKZRSC-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO C=C(C)CCNC(=S)NCC[NH+](C)C ZINC000840793511 585059385 /nfs/dbraw/zinc/05/93/85/585059385.db2.gz SPTJHAGVEDZWKA-UHFFFAOYSA-N 1 0 215.366 0.978 20 30 BCEDRO C=CCONC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000838704496 585065162 /nfs/dbraw/zinc/06/51/62/585065162.db2.gz SDQKMHUSAFEKMV-UHFFFAOYSA-N 1 0 239.319 0.841 20 30 BCEDRO C=CCONC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000838708148 585065719 /nfs/dbraw/zinc/06/57/19/585065719.db2.gz ZARRFCHRUBPWQD-SNVBAGLBSA-N 1 0 227.308 0.840 20 30 BCEDRO C#CCSCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000739826423 585081185 /nfs/dbraw/zinc/08/11/85/585081185.db2.gz TXCAEBYSDYIYAH-JTQLQIEISA-N 1 0 226.345 0.421 20 30 BCEDRO C#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000839166997 585095370 /nfs/dbraw/zinc/09/53/70/585095370.db2.gz VFQGCKCQJCPWAQ-UONOGXRCSA-N 1 0 231.295 0.453 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000839190981 585097292 /nfs/dbraw/zinc/09/72/92/585097292.db2.gz MEUTZIQIHARNIK-QWRGUYRKSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](OC)C12CCC2 ZINC000839190982 585097338 /nfs/dbraw/zinc/09/73/38/585097338.db2.gz MEUTZIQIHARNIK-WDEREUQCSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C(C)C)C1CCC1 ZINC000740886580 585107928 /nfs/dbraw/zinc/10/79/28/585107928.db2.gz VGUYUYWJKMMNIJ-UHFFFAOYSA-N 1 0 208.305 0.999 20 30 BCEDRO CNC(=S)NN=C1CC[N@H+](C)[C@H](C)C1 ZINC000741451604 585114003 /nfs/dbraw/zinc/11/40/03/585114003.db2.gz KIBKMDFXPFQQOJ-SSDOTTSWSA-N 1 0 214.338 0.550 20 30 BCEDRO C#CCNC(=O)CN(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741791514 585119184 /nfs/dbraw/zinc/11/91/84/585119184.db2.gz WGVHGYBFBOBOFN-NEPJUHHUSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCNC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000741791518 585119220 /nfs/dbraw/zinc/11/92/20/585119220.db2.gz WGVHGYBFBOBOFN-VXGBXAGGSA-N 1 0 237.347 0.150 20 30 BCEDRO C=CCNC(=S)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000741867875 585120467 /nfs/dbraw/zinc/12/04/67/585120467.db2.gz UCIJFXRXBGQTJF-NSHDSACASA-N 1 0 237.372 0.993 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H](CC#C)C1 ZINC000886365581 585134737 /nfs/dbraw/zinc/13/47/37/585134737.db2.gz LQLYHRXKDFOXOV-GFCCVEGCSA-N 1 0 218.300 0.471 20 30 BCEDRO C#CCCNC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000746261370 585166686 /nfs/dbraw/zinc/16/66/86/585166686.db2.gz SYMDWTMPIYHRKN-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCC[NH+]1CCN([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000839529792 585168209 /nfs/dbraw/zinc/16/82/09/585168209.db2.gz ZMUDDCCZBNMJIZ-NSHDSACASA-N 1 0 247.346 0.815 20 30 BCEDRO CC#CCN1CC[NH+](CCCCO)CC1 ZINC000746488942 585168891 /nfs/dbraw/zinc/16/88/91/585168891.db2.gz QTDKQRPCSYDXEC-UHFFFAOYSA-N 1 0 210.321 0.400 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)Nc1cc(C)nn1C ZINC000746589351 585170617 /nfs/dbraw/zinc/17/06/17/585170617.db2.gz LBOFYUMJYHRMNG-NSHDSACASA-N 1 0 246.314 0.765 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CCCC[C@@H]1CCO ZINC000809573853 585212828 /nfs/dbraw/zinc/21/28/28/585212828.db2.gz AAOMTDVECIHLQS-GHMZBOCLSA-N 1 0 212.293 0.498 20 30 BCEDRO CNC(NCCN1Cc2ccccc2C1)=[NH+]C ZINC000750543140 585217165 /nfs/dbraw/zinc/21/71/65/585217165.db2.gz BSNAOYZQHYJCOS-UHFFFAOYSA-N 1 0 232.331 0.797 20 30 BCEDRO NC(=[NH2+])NN=C1C(=O)Nc2cccc(Cl)c21 ZINC000750912899 585221965 /nfs/dbraw/zinc/22/19/65/585221965.db2.gz SEIRJXJMVYYIPX-UHFFFAOYSA-N 1 0 237.650 0.479 20 30 BCEDRO C[C@H]1CN(C)CC1=NNCC[NH+]1CCCCC1 ZINC000752163903 585243280 /nfs/dbraw/zinc/24/32/80/585243280.db2.gz FURCFGFXYOQFGP-LBPRGKRZSA-N 1 0 238.379 0.999 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ncnc2[nH]cnc21 ZINC000752164444 585243297 /nfs/dbraw/zinc/24/32/97/585243297.db2.gz LSCRJXYXFQMRQN-ZETCQYMHSA-N 1 0 245.290 0.702 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1nccn(C)c1=O ZINC000752169789 585243307 /nfs/dbraw/zinc/24/33/07/585243307.db2.gz ZHMZKFVQBHNJPS-MRVPVSSYSA-N 1 0 235.291 0.130 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000753171992 585254791 /nfs/dbraw/zinc/25/47/91/585254791.db2.gz MDZAQKXOMFKUSW-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO Cn1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)cn1 ZINC000753935344 585272413 /nfs/dbraw/zinc/27/24/13/585272413.db2.gz NRSHONWQTSVOPR-PHIMTYICSA-N 1 0 246.318 0.614 20 30 BCEDRO C#CC(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000753957367 585273380 /nfs/dbraw/zinc/27/33/80/585273380.db2.gz QIAADCMIJVTYFX-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000753981588 585274294 /nfs/dbraw/zinc/27/42/94/585274294.db2.gz VNKRAXFDJLTNAO-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000753999036 585274794 /nfs/dbraw/zinc/27/47/94/585274794.db2.gz CTWMUQKHCDQAOB-UHFFFAOYSA-N 1 0 212.212 0.839 20 30 BCEDRO C#CC(=O)N1CCN(c2cc(OC)cc[nH+]2)CC1 ZINC000754022759 585275530 /nfs/dbraw/zinc/27/55/30/585275530.db2.gz ZOBQLZJKWNZBEO-UHFFFAOYSA-N 1 0 245.282 0.372 20 30 BCEDRO C#CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000754021428 585275632 /nfs/dbraw/zinc/27/56/32/585275632.db2.gz FOHQNPQPENAKDU-NSHDSACASA-N 1 0 224.304 0.189 20 30 BCEDRO C#CC(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000754063560 585275940 /nfs/dbraw/zinc/27/59/40/585275940.db2.gz JAXFLMVKNVMRDW-SNVBAGLBSA-N 1 0 212.293 0.093 20 30 BCEDRO C#CC(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000754063278 585277024 /nfs/dbraw/zinc/27/70/24/585277024.db2.gz CSLCNCYTSQWXCZ-SNVBAGLBSA-N 1 0 212.318 0.173 20 30 BCEDRO C(=NNCC[NH+]1CCCCC1)c1cc[nH]n1 ZINC000755655231 585303478 /nfs/dbraw/zinc/30/34/78/585303478.db2.gz CSIKBYVUNQROET-UHFFFAOYSA-N 1 0 221.308 0.819 20 30 BCEDRO Cc1[nH]cnc1C=NNC1CCOCC1 ZINC000755767661 585306306 /nfs/dbraw/zinc/30/63/06/585306306.db2.gz ZKEIZBHMHYLPIW-UHFFFAOYSA-N 1 0 208.265 0.821 20 30 BCEDRO C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cc[nH]n1 ZINC000755816039 585307758 /nfs/dbraw/zinc/30/77/58/585307758.db2.gz XFVUGZJZTSCFMC-NXEZZACHSA-N 1 0 232.291 0.604 20 30 BCEDRO C(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)c1cc[nH]n1 ZINC000755816036 585307857 /nfs/dbraw/zinc/30/78/57/585307857.db2.gz XFVUGZJZTSCFMC-AOOOYVTPSA-N 1 0 232.291 0.604 20 30 BCEDRO C#CCOCCC(=O)N1CC[NH+](CCC)CC1 ZINC000755857730 585308718 /nfs/dbraw/zinc/30/87/18/585308718.db2.gz WBBFKLRDGPJYCE-UHFFFAOYSA-N 1 0 238.331 0.581 20 30 BCEDRO C#CCOCCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000755948080 585311131 /nfs/dbraw/zinc/31/11/31/585311131.db2.gz RZDLNDSFEKJYAX-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C1CC(NN=C2C[NH+]3CCC2CC3)CCO1 ZINC000757598583 585342925 /nfs/dbraw/zinc/34/29/25/585342925.db2.gz NNNZSEGALQEIIB-UHFFFAOYSA-N 1 0 223.320 0.837 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000757749355 585345197 /nfs/dbraw/zinc/34/51/97/585345197.db2.gz AMHVAQHXDIJFFU-CMPLNLGQSA-N 1 0 235.331 0.792 20 30 BCEDRO CN1CCN(N=C2CCC[N@H+](C)CC2)CC1 ZINC000758088973 585349029 /nfs/dbraw/zinc/34/90/29/585349029.db2.gz IAISGATVAMOTOU-UHFFFAOYSA-N 1 0 224.352 0.706 20 30 BCEDRO C#CCNC(=S)NCC1CC[NH+](C)CC1 ZINC000758219122 585352122 /nfs/dbraw/zinc/35/21/22/585352122.db2.gz HMNVHDIYSLGGLD-UHFFFAOYSA-N 1 0 225.361 0.426 20 30 BCEDRO C#CCNC(=S)N1CCC[N@@H+](CC)CC1 ZINC000758218609 585352200 /nfs/dbraw/zinc/35/22/00/585352200.db2.gz ZZPDPOCLQQJNIA-UHFFFAOYSA-N 1 0 225.361 0.522 20 30 BCEDRO C#CCNC(=S)NCC[N@@H+](C)C(C)C ZINC000758220354 585352270 /nfs/dbraw/zinc/35/22/70/585352270.db2.gz WOVBOFMKRLSUAY-UHFFFAOYSA-N 1 0 213.350 0.424 20 30 BCEDRO CO[C@@H]1CCCN(Cn2cccc(C#N)c2=O)C1 ZINC000758220728 585352323 /nfs/dbraw/zinc/35/23/23/585352323.db2.gz SBJWYTFQZIZTIG-GFCCVEGCSA-N 1 0 247.298 0.788 20 30 BCEDRO C[C@@H]1CN(Cn2cccc(C#N)c2=O)CCCO1 ZINC000758223647 585352344 /nfs/dbraw/zinc/35/23/44/585352344.db2.gz OTXUUHBOXWKQML-LLVKDONJSA-N 1 0 247.298 0.788 20 30 BCEDRO C#CCNC(=S)NC[C@H]1CCC[N@@H+](C)C1 ZINC000758235933 585352640 /nfs/dbraw/zinc/35/26/40/585352640.db2.gz UYKHKQPYDKBCLK-SNVBAGLBSA-N 1 0 225.361 0.426 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000758236762 585352661 /nfs/dbraw/zinc/35/26/61/585352661.db2.gz ZOKIVZXAKZWIJL-LLVKDONJSA-N 1 0 237.372 0.568 20 30 BCEDRO C#CCNC(=S)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000758235932 585352667 /nfs/dbraw/zinc/35/26/67/585352667.db2.gz UYKHKQPYDKBCLK-JTQLQIEISA-N 1 0 225.361 0.426 20 30 BCEDRO C[C@@H](CO)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758377723 585355175 /nfs/dbraw/zinc/35/51/75/585355175.db2.gz CFDDXEQLTVRKTF-NSHDSACASA-N 1 0 248.330 0.986 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)c1cccc(O)c1 ZINC000759696466 585378584 /nfs/dbraw/zinc/37/85/84/585378584.db2.gz XGJQPATXRHTQPG-SNVBAGLBSA-N 1 0 232.283 0.792 20 30 BCEDRO C[C@@H](C(=O)OCC#N)N1CCSCC1 ZINC000759809325 585380697 /nfs/dbraw/zinc/38/06/97/585380697.db2.gz ILIRCAKNERBNMH-QMMMGPOBSA-N 1 0 214.290 0.490 20 30 BCEDRO C=CCC[N@@H+](CCCO)CC(OC)OC ZINC000759871193 585381785 /nfs/dbraw/zinc/38/17/85/585381785.db2.gz WWPGHNRXHMDKNC-UHFFFAOYSA-N 1 0 217.309 0.866 20 30 BCEDRO C#CCCNC(=S)NCC1CC[NH+](C)CC1 ZINC000760487018 585393121 /nfs/dbraw/zinc/39/31/21/585393121.db2.gz RLGGZOCACUBKKC-UHFFFAOYSA-N 1 0 239.388 0.816 20 30 BCEDRO C#CCC[N@H+](CCO)CCOCC(F)(F)F ZINC000760833689 585398868 /nfs/dbraw/zinc/39/88/68/585398868.db2.gz SDFNXZMVNDCCOX-UHFFFAOYSA-N 1 0 239.237 0.883 20 30 BCEDRO C#CC[N@H+](CC)CC[C@@H]1CCS(=O)(=O)C1 ZINC000760842284 585399227 /nfs/dbraw/zinc/39/92/27/585399227.db2.gz FUTDLJXNWIAFKB-LLVKDONJSA-N 1 0 229.345 0.766 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H](C)C(=O)NC(C)(C)C ZINC000761109210 585410069 /nfs/dbraw/zinc/41/00/69/585410069.db2.gz OMQDLBBDDAKMLP-LLVKDONJSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCOCC[N@@H+](C)CCOCC1CC1 ZINC000761113993 585410318 /nfs/dbraw/zinc/41/03/18/585410318.db2.gz KLGDZQZMHOJJMM-UHFFFAOYSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CCNC(=S)N1CCC[C@H]([NH+](C)C)CC1 ZINC000761536300 585416804 /nfs/dbraw/zinc/41/68/04/585416804.db2.gz XOIZRGDCNPMHBM-NSHDSACASA-N 1 0 239.388 0.910 20 30 BCEDRO CC(Cn1ccccc1=O)=NNC1=[NH+][C@H](C)CN1 ZINC000761834558 585419779 /nfs/dbraw/zinc/41/97/79/585419779.db2.gz SAHDZSGAUPXEFP-SECBINFHSA-N 1 0 247.302 0.162 20 30 BCEDRO C[C@@H]1CC(N=Nc2cnn(C)c2)C[N@@H+]1C ZINC000761881105 585421979 /nfs/dbraw/zinc/42/19/79/585421979.db2.gz JLJMWFDKYTWAFS-MRVPVSSYSA-N 1 0 207.281 0.912 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)CCOC ZINC000805233307 585422565 /nfs/dbraw/zinc/42/25/65/585422565.db2.gz DJCWFZRHPORGHX-UHFFFAOYSA-N 1 0 214.309 0.599 20 30 BCEDRO COCC#CCN1CC[NH+](CCCCO)CC1 ZINC000762925958 585439744 /nfs/dbraw/zinc/43/97/44/585439744.db2.gz KYZINVMTARIBSI-UHFFFAOYSA-N 1 0 240.347 0.026 20 30 BCEDRO C[C@@H]([NH2+][C@H](CO)C1CC1)C(=O)N(C)CCC#N ZINC000763066217 585442632 /nfs/dbraw/zinc/44/26/32/585442632.db2.gz IHKCEZNGXRKULQ-MWLCHTKSSA-N 1 0 239.319 0.107 20 30 BCEDRO C[C@H]([NH2+][C@H](CO)C1CC1)C(=O)N(C)CCC#N ZINC000763066215 585442659 /nfs/dbraw/zinc/44/26/59/585442659.db2.gz IHKCEZNGXRKULQ-GXSJLCMTSA-N 1 0 239.319 0.107 20 30 BCEDRO CC#CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000764039975 585459032 /nfs/dbraw/zinc/45/90/32/585459032.db2.gz DEGZGVCOGJSFCA-UHFFFAOYSA-N 1 0 206.289 0.753 20 30 BCEDRO CC#CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000764058112 585459136 /nfs/dbraw/zinc/45/91/36/585459136.db2.gz PYTLOYIGCJKWIL-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](CC)C1 ZINC000764138970 585460635 /nfs/dbraw/zinc/46/06/35/585460635.db2.gz YQXFCMDUQCAYTH-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1CCOCC1 ZINC000764388895 585464620 /nfs/dbraw/zinc/46/46/20/585464620.db2.gz BUKMXINOYDURNS-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CCCOC ZINC000764439994 585465541 /nfs/dbraw/zinc/46/55/41/585465541.db2.gz BLHDPBFHSJBJJS-UHFFFAOYSA-N 1 0 214.309 0.599 20 30 BCEDRO C#CCN1CCC([NH+]2CCN(C)CC2)CC1 ZINC000764480231 585466615 /nfs/dbraw/zinc/46/66/15/585466615.db2.gz GSKPBHWTRICLJZ-UHFFFAOYSA-N 1 0 221.348 0.331 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC2(C1)OCCO2 ZINC000764495343 585466673 /nfs/dbraw/zinc/46/66/73/585466673.db2.gz SGTWJRGQSCLLLQ-UHFFFAOYSA-N 1 0 240.303 0.080 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CCCO ZINC000764611945 585468754 /nfs/dbraw/zinc/46/87/54/585468754.db2.gz YHPADXLXKWXIMR-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCC[C@H]1O ZINC000764629424 585469105 /nfs/dbraw/zinc/46/91/05/585469105.db2.gz AUXHDNWINSTHEB-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)CC(C)C ZINC000764628048 585469535 /nfs/dbraw/zinc/46/95/35/585469535.db2.gz USSXMRNFSXXWQK-LLVKDONJSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CC[C@@H](CO)CC1 ZINC000764632540 585469707 /nfs/dbraw/zinc/46/97/07/585469707.db2.gz PNJBAFVCDHAEAV-TXEJJXNPSA-N 1 0 240.347 0.772 20 30 BCEDRO CCN(C[C@H](C)C#N)[C@H]1CCC(=O)NC1=O ZINC000765966183 585494431 /nfs/dbraw/zinc/49/44/31/585494431.db2.gz USIDCHGTMAWPER-BDAKNGLRSA-N 1 0 223.276 0.273 20 30 BCEDRO CON=CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000805335757 585508535 /nfs/dbraw/zinc/50/85/35/585508535.db2.gz YTSQRNIBQJAZDS-QWRGUYRKSA-N 1 0 239.319 0.704 20 30 BCEDRO CON=CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000805335758 585508594 /nfs/dbraw/zinc/50/85/94/585508594.db2.gz YTSQRNIBQJAZDS-WDEREUQCSA-N 1 0 239.319 0.704 20 30 BCEDRO C#CCCCN1CCO[C@@H](C[NH+](C)C)C1 ZINC000766898934 585510191 /nfs/dbraw/zinc/51/01/91/585510191.db2.gz KYKPKLAYSYMAIY-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCCC[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000766905923 585511237 /nfs/dbraw/zinc/51/12/37/585511237.db2.gz NAYJXJOGEMBLIG-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCCC[NH+]1CCC(O)(COC)CC1 ZINC000766937360 585512020 /nfs/dbraw/zinc/51/20/20/585512020.db2.gz LSXSRZJTBUOUNO-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCCC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000766938952 585512294 /nfs/dbraw/zinc/51/22/94/585512294.db2.gz TVDCJJGVLKZDIM-UHFFFAOYSA-N 1 0 235.287 0.074 20 30 BCEDRO C#CCC(C)(C)C(=O)NCC[NH+]1CCC1 ZINC000767096613 585513986 /nfs/dbraw/zinc/51/39/86/585513986.db2.gz WLQJOVQYCZAONW-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC(=O)N1CC[N@H+](CCOC)[C@@H](CCC)C1 ZINC000767123241 585514370 /nfs/dbraw/zinc/51/43/70/585514370.db2.gz NCOZKMGPSOWQCN-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000767120491 585514445 /nfs/dbraw/zinc/51/44/45/585514445.db2.gz SPFBSIRMQVGDIS-NSHDSACASA-N 1 0 236.319 0.921 20 30 BCEDRO CC(CC[NH+](C)C)=NNC(=S)N(C)C ZINC000767376781 585518600 /nfs/dbraw/zinc/51/86/00/585518600.db2.gz FGVSSQUHFJQKAQ-UHFFFAOYSA-N 1 0 216.354 0.750 20 30 BCEDRO C=C(C)CNC(=S)NCC[N@H+](CC)CCO ZINC000768790514 585543681 /nfs/dbraw/zinc/54/36/81/585543681.db2.gz YSZURFLTWMJYKL-UHFFFAOYSA-N 1 0 245.392 0.341 20 30 BCEDRO C#CCNC(=O)CON=C(N)COC(C)(C)C ZINC000768930001 585546150 /nfs/dbraw/zinc/54/61/50/585546150.db2.gz FWEJRNIVVWTGCV-UHFFFAOYSA-N 1 0 241.291 0.049 20 30 BCEDRO C#CCNC(=O)CN[C@H](CCO)c1ccco1 ZINC000769219990 585551019 /nfs/dbraw/zinc/55/10/19/585551019.db2.gz GIFVCAKEELDWCY-SNVBAGLBSA-N 1 0 236.271 0.042 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CCOCC)[C@@H]1CCCO1 ZINC000769790112 585563530 /nfs/dbraw/zinc/56/35/30/585563530.db2.gz URVHOISIQXCYCJ-AGIUHOORSA-N 1 0 241.331 0.544 20 30 BCEDRO C#CCCCN1CC[N@H+](CCCC#C)CC(O)C1 ZINC000769923829 585566470 /nfs/dbraw/zinc/56/64/70/585566470.db2.gz QOEDWMCQCORZSG-UHFFFAOYSA-N 1 0 248.370 0.792 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCCCS(C)(=O)=O ZINC000769962233 585567631 /nfs/dbraw/zinc/56/76/31/585567631.db2.gz CXVSKBZVSWIINC-SNVBAGLBSA-N 1 0 217.334 0.765 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CC[C@H]1CCS(=O)(=O)C1 ZINC000769961751 585567676 /nfs/dbraw/zinc/56/76/76/585567676.db2.gz NCXAERNEXOQIEU-QWRGUYRKSA-N 1 0 229.345 0.765 20 30 BCEDRO C#CCC[N@H+]1CCCC[C@@H](S(C)(=O)=O)C1 ZINC000770001443 585569012 /nfs/dbraw/zinc/56/90/12/585569012.db2.gz MDIURDNPMDETHD-LLVKDONJSA-N 1 0 229.345 0.909 20 30 BCEDRO C#CCOCCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000771406224 585594188 /nfs/dbraw/zinc/59/41/88/585594188.db2.gz TVXMWQXAHGPFDG-NEPJUHHUSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000771468171 585595189 /nfs/dbraw/zinc/59/51/89/585595189.db2.gz ZGLJHUBSVVFNBY-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO C[C@H]1CC(=NOCC(N)=O)C[N@@H+]1C1CC1 ZINC000771571490 585596592 /nfs/dbraw/zinc/59/65/92/585596592.db2.gz BFOIVIMTCJUAMI-ZETCQYMHSA-N 1 0 211.265 0.101 20 30 BCEDRO NC(=O)CON=C1CC[NH+](C2CCCC2)CC1 ZINC000771577853 585597172 /nfs/dbraw/zinc/59/71/72/585597172.db2.gz IBGKHVGYEKNGSD-UHFFFAOYSA-N 1 0 239.319 0.883 20 30 BCEDRO CN(CCC#N)C(=O)CC[NH2+][C@H](CO)C1CC1 ZINC000771816410 585600912 /nfs/dbraw/zinc/60/09/12/585600912.db2.gz WYMRLQXYEGLPMS-LLVKDONJSA-N 1 0 239.319 0.109 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H](CO)C2CC2)cc1 ZINC000771813412 585600976 /nfs/dbraw/zinc/60/09/76/585600976.db2.gz ONTGAQBVKFNPLU-UONOGXRCSA-N 1 0 246.310 0.952 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H](CO)C2CC2)cc1 ZINC000771813411 585601022 /nfs/dbraw/zinc/60/10/22/585601022.db2.gz ONTGAQBVKFNPLU-KGLIPLIRSA-N 1 0 246.310 0.952 20 30 BCEDRO CN(CCC#N)C(=O)CC[NH2+][C@@H](CO)C1CC1 ZINC000771816412 585601039 /nfs/dbraw/zinc/60/10/39/585601039.db2.gz WYMRLQXYEGLPMS-NSHDSACASA-N 1 0 239.319 0.109 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H](CO)C2CC2)cc1 ZINC000771813408 585601126 /nfs/dbraw/zinc/60/11/26/585601126.db2.gz ONTGAQBVKFNPLU-KBPBESRZSA-N 1 0 246.310 0.952 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](CCO)C2CC2)CC1 ZINC000859250106 589023788 /nfs/dbraw/zinc/02/37/88/589023788.db2.gz FRISSNRJBZYFOE-VXGBXAGGSA-N 1 0 238.331 0.792 20 30 BCEDRO C=CCN(CC(=O)N1CCO[C@H](C)C1)C1CC1 ZINC000772380183 585613706 /nfs/dbraw/zinc/61/37/06/585613706.db2.gz DKHUSYXRFZHCBC-LLVKDONJSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000772848493 585624881 /nfs/dbraw/zinc/62/48/81/585624881.db2.gz VDIKDXSRVVCFKB-IUCAKERBSA-N 1 0 212.318 0.124 20 30 BCEDRO C#CC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000772908473 585627297 /nfs/dbraw/zinc/62/72/97/585627297.db2.gz IPFLFTSXMAXKJO-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)CC#N)CC1 ZINC000773118991 585631803 /nfs/dbraw/zinc/63/18/03/585631803.db2.gz YYHOIARTTKNUHU-UHFFFAOYSA-N 1 0 219.288 0.504 20 30 BCEDRO C[NH+]1CCC(ONC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000773543988 585640274 /nfs/dbraw/zinc/64/02/74/585640274.db2.gz XHIBNXQZMRLKBL-UHFFFAOYSA-N 1 0 248.286 0.642 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000773590704 585640895 /nfs/dbraw/zinc/64/08/95/585640895.db2.gz JZXJGUZBQFTXRC-ZJUUUORDSA-N 1 0 221.304 0.544 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000773596287 585641432 /nfs/dbraw/zinc/64/14/32/585641432.db2.gz ADJGIHPWVRHMCU-CMPLNLGQSA-N 1 0 235.331 0.792 20 30 BCEDRO CON=CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000773807051 585644317 /nfs/dbraw/zinc/64/43/17/585644317.db2.gz FRSOOMRCLQCDDQ-NXEZZACHSA-N 1 0 225.292 0.362 20 30 BCEDRO CON=CC(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000773852754 585644921 /nfs/dbraw/zinc/64/49/21/585644921.db2.gz IAXRLLXCWKZVGM-LLVKDONJSA-N 1 0 241.335 0.857 20 30 BCEDRO CON=CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000773951385 585646874 /nfs/dbraw/zinc/64/68/74/585646874.db2.gz AFGJUQQTJAPBCU-QMMMGPOBSA-N 1 0 201.270 0.075 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](C)[C@H]1C ZINC000774065553 585649512 /nfs/dbraw/zinc/64/95/12/585649512.db2.gz PDOFLDBADBIMOC-GHMZBOCLSA-N 1 0 226.320 0.740 20 30 BCEDRO CON=CC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000774469530 585659703 /nfs/dbraw/zinc/65/97/03/585659703.db2.gz YNWBIKFSXAQFLM-SECBINFHSA-N 1 0 213.281 0.029 20 30 BCEDRO C=CC[C@H](CO)CNC(=S)NCC[NH+](C)C ZINC000774563692 585661292 /nfs/dbraw/zinc/66/12/92/585661292.db2.gz IEWFBMSOMACGKX-JTQLQIEISA-N 1 0 245.392 0.197 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000774763063 585665499 /nfs/dbraw/zinc/66/54/99/585665499.db2.gz VRYHJBFQKKQDLM-ZDUSSCGKSA-N 1 0 240.347 0.289 20 30 BCEDRO C#C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1CCCO1 ZINC000775325689 585675585 /nfs/dbraw/zinc/67/55/85/585675585.db2.gz UGMXJZMRDDEEEL-AXFHLTTASA-N 1 0 224.304 0.234 20 30 BCEDRO C#C[C@H](C)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000775384847 585677041 /nfs/dbraw/zinc/67/70/41/585677041.db2.gz QLLLWDQMFNAOEM-VHSXEESVSA-N 1 0 226.345 0.562 20 30 BCEDRO C#C[C@H](C)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000775385561 585677065 /nfs/dbraw/zinc/67/70/65/585677065.db2.gz IUNYXWJZXZASDZ-DCAQKATOSA-N 1 0 208.305 0.997 20 30 BCEDRO C#CC[C@@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000775397968 585677600 /nfs/dbraw/zinc/67/76/00/585677600.db2.gz COYZXRZGOSTHAC-CYBMUJFWSA-N 1 0 241.294 0.980 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)NC(C)C)[C@H]1CCCO1 ZINC000775789200 585684644 /nfs/dbraw/zinc/68/46/44/585684644.db2.gz KZJPPHJHISTXCD-NWDGAFQWSA-N 1 0 238.331 0.672 20 30 BCEDRO C#C[C@H]([NH2+]CCn1ccnc1C)[C@@H]1CCCO1 ZINC000775789922 585684977 /nfs/dbraw/zinc/68/49/77/585684977.db2.gz FEUCRPMKTKNIOZ-STQMWFEESA-N 1 0 233.315 0.962 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)C(=O)NCCC)[C@@H]1CCCO1 ZINC000775794297 585685045 /nfs/dbraw/zinc/68/50/45/585685045.db2.gz ZRASPCQJROLKFZ-WOPDTQHZSA-N 1 0 238.331 0.672 20 30 BCEDRO C#C[C@H]([NH2+]CC1(O)CCOCC1)[C@H]1CCCO1 ZINC000775794859 585685160 /nfs/dbraw/zinc/68/51/60/585685160.db2.gz KXEFQEKHTFISHF-NWDGAFQWSA-N 1 0 239.315 0.298 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)NCCC)[C@H]1CCCO1 ZINC000775794292 585685173 /nfs/dbraw/zinc/68/51/73/585685173.db2.gz ZRASPCQJROLKFZ-SDDRHHMPSA-N 1 0 238.331 0.672 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)C(=O)NCC=C)[C@@H]1CCCO1 ZINC000775801415 585685202 /nfs/dbraw/zinc/68/52/02/585685202.db2.gz XSIXOPRMMWFJTP-WOPDTQHZSA-N 1 0 236.315 0.448 20 30 BCEDRO C#C[C@@H]([NH2+]CCC1OCCCO1)[C@@H]1CCCO1 ZINC000775794814 585685222 /nfs/dbraw/zinc/68/52/22/585685222.db2.gz KHMQGIIGNOWAPR-NEPJUHHUSA-N 1 0 239.315 0.910 20 30 BCEDRO C#C[C@H]([NH2+]CCn1cc(C)cn1)[C@H]1CCCO1 ZINC000775800717 585685440 /nfs/dbraw/zinc/68/54/40/585685440.db2.gz RAQBCRRBYCCKPL-QWHCGFSZSA-N 1 0 233.315 0.962 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(=O)N(C)CC)[C@@H]1CCCO1 ZINC000775801144 585685616 /nfs/dbraw/zinc/68/56/16/585685616.db2.gz WNPJHDOBFRJDKZ-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO CN(C)c1cc[nH+]cc1C=NN1CN=NC1=O ZINC000776187717 585691908 /nfs/dbraw/zinc/69/19/08/585691908.db2.gz XFUVWUZFRTXKNS-UHFFFAOYSA-N 1 0 232.247 0.327 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H](CO)C2CC2)CC1 ZINC000859250480 589024469 /nfs/dbraw/zinc/02/44/69/589024469.db2.gz KNZNKMGVTGIEFB-MNOVXSKESA-N 1 0 224.304 0.402 20 30 BCEDRO C[NH+](C)CCNC(=O)Cc1ccccc1CC#N ZINC000777270768 585709971 /nfs/dbraw/zinc/70/99/71/585709971.db2.gz QPGSVKSMHPVJSA-UHFFFAOYSA-N 1 0 245.326 0.973 20 30 BCEDRO C#CC(=O)N1C[C@@H]([NH+]2CCCC2)[C@@H](SC)C1 ZINC000777319799 585710320 /nfs/dbraw/zinc/71/03/20/585710320.db2.gz RZJBZRHGVZWIAF-MNOVXSKESA-N 1 0 238.356 0.658 20 30 BCEDRO C#CCC[NH+]1CCN(C(C)(C)C(=O)OC)CC1 ZINC000778189676 585727074 /nfs/dbraw/zinc/72/70/74/585727074.db2.gz TUXRNKSAIDVJSY-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO Cc1csc(C=NNC2=[NH+]C[C@H](C)N2)n1 ZINC000779792432 585763640 /nfs/dbraw/zinc/76/36/40/585763640.db2.gz RRSUZMPDRZRSJO-LURJTMIESA-N 1 0 223.305 0.723 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=C2CCc3c2cccc3O)N1 ZINC000779791193 585763897 /nfs/dbraw/zinc/76/38/97/585763897.db2.gz GYVKQBSRABFBEC-QMMMGPOBSA-N 1 0 244.298 0.980 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@@H]1CCCOC1 ZINC000779794086 585763994 /nfs/dbraw/zinc/76/39/94/585763994.db2.gz CNGPJBBFPRKQIV-PSASIEDQSA-N 1 0 224.308 0.726 20 30 BCEDRO CO[C@@H]1CCCCC1=NNC1=[NH+][C@H](C)CN1 ZINC000779793652 585764006 /nfs/dbraw/zinc/76/40/06/585764006.db2.gz WEFDXAMEASKERS-PSASIEDQSA-N 1 0 224.308 0.869 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cccc(O)c2O)N1 ZINC000779793848 585764057 /nfs/dbraw/zinc/76/40/57/585764057.db2.gz BCVRNUVTUJYQAQ-ZETCQYMHSA-N 1 0 234.259 0.369 20 30 BCEDRO COc1cc(C)nc(C=NNC2=[NH+]C[C@@H](C)N2)c1 ZINC000779794454 585764245 /nfs/dbraw/zinc/76/42/45/585764245.db2.gz HTVBKIMMFNBWSK-SECBINFHSA-N 1 0 247.302 0.670 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(F)cn1 ZINC000779794985 585764283 /nfs/dbraw/zinc/76/42/83/585764283.db2.gz NWBJVEXNIZVOIF-SSDOTTSWSA-N 1 0 235.266 0.882 20 30 BCEDRO Cc1ccoc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779795862 585764325 /nfs/dbraw/zinc/76/43/25/585764325.db2.gz ZHACTCUOUXJJDY-QMMMGPOBSA-N 1 0 206.249 0.859 20 30 BCEDRO CC(C[C@@H]1CCOC1)=NNC1=[NH+][C@H](C)CN1 ZINC000779794342 585764335 /nfs/dbraw/zinc/76/43/35/585764335.db2.gz GTPAVVWPMQYCSS-ZJUUUORDSA-N 1 0 224.308 0.726 20 30 BCEDRO COCCCC(C)=NNC1=[NH+][C@H](C)CN1 ZINC000779794973 585764514 /nfs/dbraw/zinc/76/45/14/585764514.db2.gz NREKRPAMPQENOC-SECBINFHSA-N 1 0 212.297 0.726 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnn3ccccc23)N1 ZINC000779801492 585764540 /nfs/dbraw/zinc/76/45/40/585764540.db2.gz UPIOUGTXRULUSR-SECBINFHSA-N 1 0 242.286 0.606 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cccnc1 ZINC000779799590 585764604 /nfs/dbraw/zinc/76/46/04/585764604.db2.gz KKFNSSMPWGIQHO-QMMMGPOBSA-N 1 0 217.276 0.743 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cnn(C)c1C ZINC000779800754 585764724 /nfs/dbraw/zinc/76/47/24/585764724.db2.gz PQRDRUXIJJOHJI-SSDOTTSWSA-N 1 0 234.307 0.390 20 30 BCEDRO C#CCCN1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000781942359 585805617 /nfs/dbraw/zinc/80/56/17/585805617.db2.gz AECCTTGTUBPLFN-GFCCVEGCSA-N 1 0 224.348 0.787 20 30 BCEDRO C#CCC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782005001 585806223 /nfs/dbraw/zinc/80/62/23/585806223.db2.gz UIMGADTWPYFRKE-UHFFFAOYSA-N 1 0 208.261 0.584 20 30 BCEDRO CC#CCC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781998599 585806301 /nfs/dbraw/zinc/80/63/01/585806301.db2.gz GULSKHGDRSYEAA-UHFFFAOYSA-N 1 0 222.288 0.974 20 30 BCEDRO C=CCNC(=S)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000782402336 585817552 /nfs/dbraw/zinc/81/75/52/585817552.db2.gz USMCMWIKMDWSCU-AOOOYVTPSA-N 1 0 225.361 0.540 20 30 BCEDRO N#CCSCCC[N@H+]1C[C@H]2C[C@@]2(CO)C1 ZINC000782609379 585822005 /nfs/dbraw/zinc/82/20/05/585822005.db2.gz OKRXZWSVNUTYHQ-MNOVXSKESA-N 1 0 226.345 0.947 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000782620827 585823011 /nfs/dbraw/zinc/82/30/11/585823011.db2.gz UYSXEQGOONAOLO-JTQLQIEISA-N 1 0 223.320 0.792 20 30 BCEDRO CO[C@H]1CCC[N@H+](CC(=O)NCCC#N)CC1 ZINC000783018781 585827084 /nfs/dbraw/zinc/82/70/84/585827084.db2.gz QQDTUJUSDWXLBS-NSHDSACASA-N 1 0 239.319 0.517 20 30 BCEDRO C#CCOCC[NH2+][C@@H](COC)C1CCOCC1 ZINC000783291873 585833101 /nfs/dbraw/zinc/83/31/01/585833101.db2.gz RKQVAHGCFCGSAV-ZDUSSCGKSA-N 1 0 241.331 0.667 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1nccnc1C ZINC000783523695 585836095 /nfs/dbraw/zinc/83/60/95/585836095.db2.gz IJYPYXIYTPBPHP-SSDOTTSWSA-N 1 0 232.291 0.446 20 30 BCEDRO COC1CCC(=NNC2=[NH+][C@H](C)CN2)CC1 ZINC000783864467 585845130 /nfs/dbraw/zinc/84/51/30/585845130.db2.gz WNXFYBSDIOWHQK-HNHGDDPOSA-N 1 0 224.308 0.869 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1C=C ZINC000785997707 585884726 /nfs/dbraw/zinc/88/47/26/585884726.db2.gz QUSADBBCEYLUQL-NSHDSACASA-N 1 0 206.289 0.776 20 30 BCEDRO C=C[C@@H]1CCCC[N@H+]1CCS(N)(=O)=O ZINC000785998235 585885025 /nfs/dbraw/zinc/88/50/25/585885025.db2.gz AECHNUVQUNHSSK-SECBINFHSA-N 1 0 218.322 0.315 20 30 BCEDRO C[NH+](C)CCCN(CCC#N)C(=O)C(F)F ZINC000787196900 585902907 /nfs/dbraw/zinc/90/29/07/585902907.db2.gz PLYQCGXWEHNZOZ-UHFFFAOYSA-N 1 0 233.262 0.945 20 30 BCEDRO C[NH+](C)C1(CNC(=O)NCCC#N)CCC1 ZINC000787359373 585907735 /nfs/dbraw/zinc/90/77/35/585907735.db2.gz HBCWLTUKKPCHTD-UHFFFAOYSA-N 1 0 224.308 0.684 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CC[C@@](F)(C#N)C2)CCC1 ZINC000787377938 585908306 /nfs/dbraw/zinc/90/83/06/585908306.db2.gz PEIKCMFVNFVIOD-LLVKDONJSA-N 1 0 239.294 0.935 20 30 BCEDRO N#CC1(C[C@H](O)C[N@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000859269852 589026623 /nfs/dbraw/zinc/02/66/23/589026623.db2.gz HUCGWEQQAXLTBT-MDZLAQPJSA-N 1 0 236.315 0.355 20 30 BCEDRO C#CC[N@@H+]1CCC[C@@H](N2CCOCC2)CC1 ZINC000787677383 585913782 /nfs/dbraw/zinc/91/37/82/585913782.db2.gz WDIWEYMLDJLMAX-CYBMUJFWSA-N 1 0 222.332 0.806 20 30 BCEDRO CC#CC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000788304977 585921244 /nfs/dbraw/zinc/92/12/44/585921244.db2.gz DLNVBTRLSQEQOJ-GFCCVEGCSA-N 1 0 220.316 0.954 20 30 BCEDRO C[NH+](C)[C@@H]1CCCC(=NNS(C)(=O)=O)C1 ZINC000788433515 585923076 /nfs/dbraw/zinc/92/30/76/585923076.db2.gz BQZQURCRXGLMFB-SECBINFHSA-N 1 0 233.337 0.396 20 30 BCEDRO C1C[C@H]2C(N=N[C@@H]3CCOC3)CC[N@@H+]2C1 ZINC000788447592 585924000 /nfs/dbraw/zinc/92/40/00/585924000.db2.gz OKNIQXWCOXMRNG-KOLCDFICSA-N 1 0 209.293 0.589 20 30 BCEDRO C#C[C@H](C)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000789839061 585951547 /nfs/dbraw/zinc/95/15/47/585951547.db2.gz PPRQTUUYSHOIDG-JTQLQIEISA-N 1 0 249.318 0.588 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2cn[nH]n2)CC1 ZINC000789926449 585953454 /nfs/dbraw/zinc/95/34/54/585953454.db2.gz HWCOPZCASWTSEY-UHFFFAOYSA-N 1 0 233.275 0.088 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccc(OC)n1 ZINC000790963048 585971268 /nfs/dbraw/zinc/97/12/68/585971268.db2.gz XIHDHZIGSZROML-UHFFFAOYSA-N 1 0 247.298 0.319 20 30 BCEDRO C=C(CO)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000791301171 585976386 /nfs/dbraw/zinc/97/63/86/585976386.db2.gz MOSPYYHYQXLKJF-UHFFFAOYSA-N 1 0 226.320 0.335 20 30 BCEDRO C=C(CO)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000791327448 585977640 /nfs/dbraw/zinc/97/76/40/585977640.db2.gz DTGCRHMXBZRCOI-UHFFFAOYSA-N 1 0 224.304 0.089 20 30 BCEDRO C=C(CO)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000791338896 585977956 /nfs/dbraw/zinc/97/79/56/585977956.db2.gz CJPSDNFGMVGAPL-GFCCVEGCSA-N 1 0 238.331 0.622 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CCOC ZINC000791342627 585978124 /nfs/dbraw/zinc/97/81/24/585978124.db2.gz JRCYZWLWOBKUFZ-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000791375684 585979576 /nfs/dbraw/zinc/97/95/76/585979576.db2.gz QPKRYJZUHLSIOG-MNOVXSKESA-N 1 0 224.304 0.230 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1ncon1 ZINC000791393481 585980145 /nfs/dbraw/zinc/98/01/45/585980145.db2.gz SAIRBVVXAJOBKA-QMMMGPOBSA-N 1 0 224.264 0.365 20 30 BCEDRO C[NH+](C)CCCOC(=O)c1ccc(C#N)[nH]1 ZINC000792199441 585997315 /nfs/dbraw/zinc/99/73/15/585997315.db2.gz BTURTFRDCYCNRK-UHFFFAOYSA-N 1 0 221.260 0.995 20 30 BCEDRO C#CC[N@H+](C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000792302152 585999368 /nfs/dbraw/zinc/99/93/68/585999368.db2.gz NYMFKUAYTUPTNM-SNVBAGLBSA-N 1 0 215.318 0.376 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000792926604 586006876 /nfs/dbraw/zinc/00/68/76/586006876.db2.gz MXMSCHNBGOWBBV-NEPJUHHUSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CCNC(=S)NC[C@@H](C)C[NH+](C)C ZINC000793261356 586015461 /nfs/dbraw/zinc/01/54/61/586015461.db2.gz ZNOQPTGJGJSZOD-SECBINFHSA-N 1 0 213.350 0.281 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)c1nnc(C)s1 ZINC000794018349 586030504 /nfs/dbraw/zinc/03/05/04/586030504.db2.gz NAOMNNUNBSIYGL-UHFFFAOYSA-N 1 0 240.332 0.927 20 30 BCEDRO C=C(CO)C(=O)N[C@@H](C)C[N@@H+](CC)CCC ZINC000794272520 586036471 /nfs/dbraw/zinc/03/64/71/586036471.db2.gz VWCPNZWYJPWTFZ-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C#CC(=O)N1CCN(c2cc[nH+]cc2OC)CC1 ZINC000794344989 586038524 /nfs/dbraw/zinc/03/85/24/586038524.db2.gz QHPNLFPZBXRHLI-UHFFFAOYSA-N 1 0 245.282 0.372 20 30 BCEDRO C[C@@H]1CCC(N=NC(N)=[NH2+])[C@H](n2cncn2)C1 ZINC000794489520 586040546 /nfs/dbraw/zinc/04/05/46/586040546.db2.gz WZWBIWWNJHIURM-VXNVDRBHSA-N 1 0 235.295 0.478 20 30 BCEDRO Cn1cnc(C=NNCC[NH+]2CCCCC2)c1 ZINC000794495565 586040803 /nfs/dbraw/zinc/04/08/03/586040803.db2.gz RVTGDMMPSZJEHP-UHFFFAOYSA-N 1 0 235.335 0.830 20 30 BCEDRO Cn1cnc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)c1 ZINC000794523260 586041820 /nfs/dbraw/zinc/04/18/20/586041820.db2.gz GGLSCKPTLBSKMT-GHMZBOCLSA-N 1 0 246.318 0.614 20 30 BCEDRO C[C@H]1CNC(NN=C2CCOC[C@H]2C)=[NH+]1 ZINC000794531180 586042331 /nfs/dbraw/zinc/04/23/31/586042331.db2.gz RWQDCLPKRWIDCP-SFYZADRCSA-N 1 0 210.281 0.336 20 30 BCEDRO C[C@H]1CCSCC[N@@H+]1CC(=O)NCCC#N ZINC000794570042 586044170 /nfs/dbraw/zinc/04/41/70/586044170.db2.gz DVFUMJUVMDTRGS-JTQLQIEISA-N 1 0 241.360 0.844 20 30 BCEDRO C=CCN(CCC#N)C[C@H](O)C[NH+]1CCCC1 ZINC000794733187 586047723 /nfs/dbraw/zinc/04/77/23/586047723.db2.gz CGONJOPADOHGES-ZDUSSCGKSA-N 1 0 237.347 0.845 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccnc(F)c1 ZINC000794927994 586055867 /nfs/dbraw/zinc/05/58/67/586055867.db2.gz RAWNKPLFHVSYGT-ZETCQYMHSA-N 1 0 235.266 0.882 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794968061 586059332 /nfs/dbraw/zinc/05/93/32/586059332.db2.gz NMARPRVPMNCCFR-WYUUTHIRSA-N 1 0 239.315 0.664 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794968058 586059372 /nfs/dbraw/zinc/05/93/72/586059372.db2.gz NMARPRVPMNCCFR-NNYUYHANSA-N 1 0 239.315 0.664 20 30 BCEDRO C#CCCC[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794970677 586059857 /nfs/dbraw/zinc/05/98/57/586059857.db2.gz GRPUOMFFVACERD-URLYPYJESA-N 1 0 207.273 0.751 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1cncnc1 ZINC000794977142 586060629 /nfs/dbraw/zinc/06/06/29/586060629.db2.gz YARJXGXLIGPZSP-MRVPVSSYSA-N 1 0 205.265 0.826 20 30 BCEDRO CC[N@@H+]1CCN(CCO[C@H](C)C#N)[C@H](C)C1 ZINC000796325963 586100054 /nfs/dbraw/zinc/10/00/54/586100054.db2.gz XBSJENQAKFZCLQ-VXGBXAGGSA-N 1 0 225.336 0.941 20 30 BCEDRO C[NH+](C)CCNC(=S)NCC1(CC#N)CC1 ZINC000797408497 586126762 /nfs/dbraw/zinc/12/67/62/586126762.db2.gz IBKJHPMBGGDWKD-UHFFFAOYSA-N 1 0 240.376 0.706 20 30 BCEDRO C#Cc1cncc(C(=O)NCC[NH+](C)C)c1 ZINC000798151983 586138329 /nfs/dbraw/zinc/13/83/29/586138329.db2.gz PAUHILPYLXUGLU-UHFFFAOYSA-N 1 0 217.272 0.354 20 30 BCEDRO C=C(CO)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000798277097 586142230 /nfs/dbraw/zinc/14/22/30/586142230.db2.gz VZORSTSWMZQQEP-UHFFFAOYSA-N 1 0 226.320 0.524 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCc1cn(C)nn1 ZINC000859318938 589031240 /nfs/dbraw/zinc/03/12/40/589031240.db2.gz JKSCHKFFORJPCX-LLVKDONJSA-N 1 0 206.293 0.749 20 30 BCEDRO C#CCNC(=O)CN(C)CCC[NH+]1CCCC1 ZINC000799174376 586165141 /nfs/dbraw/zinc/16/51/41/586165141.db2.gz NQNPGOSJYNBOFQ-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO CO[C@@H]1CC[N@H+](CC(=O)NCCC#N)[C@@H](C)C1 ZINC000799344307 586172348 /nfs/dbraw/zinc/17/23/48/586172348.db2.gz UYZNSOXOHDNZJF-WDEREUQCSA-N 1 0 239.319 0.516 20 30 BCEDRO CO[C@H]1CC[N@H+](CC(=O)NCCC#N)[C@@H](C)C1 ZINC000799344305 586172582 /nfs/dbraw/zinc/17/25/82/586172582.db2.gz UYZNSOXOHDNZJF-QWRGUYRKSA-N 1 0 239.319 0.516 20 30 BCEDRO CO[C@@H]1CC[N@H+](CC(=O)NCCC#N)[C@H](C)C1 ZINC000799344302 586172917 /nfs/dbraw/zinc/17/29/17/586172917.db2.gz UYZNSOXOHDNZJF-GHMZBOCLSA-N 1 0 239.319 0.516 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCc2cn(C)nn2)C1 ZINC000859337220 589032771 /nfs/dbraw/zinc/03/27/71/589032771.db2.gz XIEFCHHLCNGFSQ-LLVKDONJSA-N 1 0 218.304 0.703 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCC23CCOCC3)=[NH+]1 ZINC000799885035 586200514 /nfs/dbraw/zinc/20/05/14/586200514.db2.gz YDOPZPVNNCNOLJ-SECBINFHSA-N 1 0 236.319 0.870 20 30 BCEDRO C#CCCC[N@H+]1CCN(C[C@H](C)O)C[C@@H]1C ZINC000800374499 586213403 /nfs/dbraw/zinc/21/34/03/586213403.db2.gz KTYFZVAAPPISEA-STQMWFEESA-N 1 0 224.348 0.787 20 30 BCEDRO C#CCC[NH+]1CCN([C@H](C=C)C(=O)OC)CC1 ZINC000800367192 586214436 /nfs/dbraw/zinc/21/44/36/586214436.db2.gz UDRUIPLSSGCQMX-GFCCVEGCSA-N 1 0 236.315 0.355 20 30 BCEDRO CC#CC(=O)N1CCN(CC[NH+]2CCCC2)CC1 ZINC000801112499 586242349 /nfs/dbraw/zinc/24/23/49/586242349.db2.gz MVFLNLXCOOFNTA-UHFFFAOYSA-N 1 0 249.358 0.250 20 30 BCEDRO CC#CC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000801149908 586243742 /nfs/dbraw/zinc/24/37/42/586243742.db2.gz GZIXPLCSSLEFDT-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO CC#CC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000801186448 586246153 /nfs/dbraw/zinc/24/61/53/586246153.db2.gz KMYCMZZWKFDUKE-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CC(=O)N(C)OC)C1 ZINC000859445487 589037949 /nfs/dbraw/zinc/03/79/49/589037949.db2.gz JQILGUHEZQHCFR-JTQLQIEISA-N 1 0 212.293 0.904 20 30 BCEDRO COC(=O)C[C@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000801934783 586278295 /nfs/dbraw/zinc/27/82/95/586278295.db2.gz QYDLBJQWLSJZIJ-WDEREUQCSA-N 1 0 240.303 0.943 20 30 BCEDRO CCCCC[N@H+](CCO[C@H](C)C#N)CC(N)=O ZINC000801937948 586279676 /nfs/dbraw/zinc/27/96/76/586279676.db2.gz BZCZOBBVBQSYIZ-LLVKDONJSA-N 1 0 241.335 0.893 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)CCNC(=O)N(C)C ZINC000801941428 586280413 /nfs/dbraw/zinc/28/04/13/586280413.db2.gz ZJJCDSVHIMTMBZ-JTQLQIEISA-N 1 0 242.323 0.118 20 30 BCEDRO C[C@@H](C#N)OCCN(C)CC[N@H+](C)C1CC1 ZINC000801942112 586281775 /nfs/dbraw/zinc/28/17/75/586281775.db2.gz IOEBIBBVFUZDKD-NSHDSACASA-N 1 0 225.336 0.941 20 30 BCEDRO C[C@@H](C#N)OCCN1CCN(C)C(=O)[C@H]1C ZINC000801943931 586281847 /nfs/dbraw/zinc/28/18/47/586281847.db2.gz BORLLQLIEQRMFC-VHSXEESVSA-N 1 0 225.292 0.078 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000801953951 586283313 /nfs/dbraw/zinc/28/33/13/586283313.db2.gz ZKGHOJPJHYWMKH-GRYCIOLGSA-N 1 0 242.319 0.387 20 30 BCEDRO C#CC[N@H+]1CC2(CCOCC2)CC[C@H]1CO ZINC000859519324 589042596 /nfs/dbraw/zinc/04/25/96/589042596.db2.gz LWWZODZCFKXRGR-LBPRGKRZSA-N 1 0 223.316 0.873 20 30 BCEDRO C#CCC[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000859556096 589045062 /nfs/dbraw/zinc/04/50/62/589045062.db2.gz DWWGTEIEMSHQNX-LLVKDONJSA-N 1 0 211.261 0.274 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1nncn1CC ZINC000803526317 586364233 /nfs/dbraw/zinc/36/42/33/586364233.db2.gz TYLVRGOQTALKAD-UHFFFAOYSA-N 1 0 223.280 0.354 20 30 BCEDRO COC[C@@H](C#N)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803697322 586369596 /nfs/dbraw/zinc/36/95/96/586369596.db2.gz YUTFSDCNJPPOFC-ZJUUUORDSA-N 1 0 228.292 0.654 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCCOC1 ZINC000804287807 586385927 /nfs/dbraw/zinc/38/59/27/586385927.db2.gz PDLLFYBFYYCOSC-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO N#CCCNC(=O)C[NH+](C1CC1)C1CC1 ZINC000859621816 589049224 /nfs/dbraw/zinc/04/92/24/589049224.db2.gz RWZNIMQBCZTERG-UHFFFAOYSA-N 1 0 207.277 0.643 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@](C)(C(N)=O)C(C)C ZINC000804426554 586395617 /nfs/dbraw/zinc/39/56/17/586395617.db2.gz BTYDGNPGTJTSLH-LBPRGKRZSA-N 1 0 241.335 0.120 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CCOC[C@H]1C ZINC000804616176 586403830 /nfs/dbraw/zinc/40/38/30/586403830.db2.gz AHZMWCYKEIIZLI-VXGBXAGGSA-N 1 0 240.347 0.893 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@H](C2CC2)C1 ZINC000808776108 586489432 /nfs/dbraw/zinc/48/94/32/586489432.db2.gz CCGPCQGEWJBJKS-LBPRGKRZSA-N 1 0 220.316 0.858 20 30 BCEDRO C[N@H+](CCc1ccccn1)C[C@H](O)CC#N ZINC000809576684 586507906 /nfs/dbraw/zinc/50/79/06/586507906.db2.gz PNIUMIOUSIDPHA-GFCCVEGCSA-N 1 0 219.288 0.830 20 30 BCEDRO CC[N@H+](C)C[C@H]1CCN(C[C@H](O)CC#N)C1 ZINC000809577000 586508118 /nfs/dbraw/zinc/50/81/18/586508118.db2.gz IUSQNZWEJILJPD-VXGBXAGGSA-N 1 0 225.336 0.535 20 30 BCEDRO CCC[C@@]1(C)C(=O)NCCN1C[C@H](O)CC#N ZINC000809578769 586508175 /nfs/dbraw/zinc/50/81/75/586508175.db2.gz QKLKRXCUGNSVEA-PWSUYJOCSA-N 1 0 239.319 0.252 20 30 BCEDRO CON=CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000809602896 586508971 /nfs/dbraw/zinc/50/89/71/586508971.db2.gz CVSQGIXCDJDKBL-SECBINFHSA-N 1 0 213.281 0.219 20 30 BCEDRO CC[NH+]1CCC(CNC(=O)C=NOC)CC1 ZINC000809623747 586509296 /nfs/dbraw/zinc/50/92/96/586509296.db2.gz BPJNYRRVMQFHDX-UHFFFAOYSA-N 1 0 227.308 0.467 20 30 BCEDRO CON=CC(=O)NCCC1CC[NH+](C)CC1 ZINC000809647479 586510643 /nfs/dbraw/zinc/51/06/43/586510643.db2.gz QTFMKMUWFOCUBZ-UHFFFAOYSA-N 1 0 227.308 0.467 20 30 BCEDRO CON=CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000809721169 586514436 /nfs/dbraw/zinc/51/44/36/586514436.db2.gz UUTNXKQAJCOSLA-JTQLQIEISA-N 1 0 225.292 0.314 20 30 BCEDRO CON=CC(=O)N1C[C@@H](C)[N@H+](C)C[C@@H]1C ZINC000809744030 586516760 /nfs/dbraw/zinc/51/67/60/586516760.db2.gz RDZZSXNVNBPGMS-BDAKNGLRSA-N 1 0 213.281 0.170 20 30 BCEDRO CON=CC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000809757380 586517880 /nfs/dbraw/zinc/51/78/80/586517880.db2.gz ZUMIRSPQAZUBQH-UHFFFAOYSA-N 1 0 227.308 0.467 20 30 BCEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NO)C1 ZINC000810043659 586531782 /nfs/dbraw/zinc/53/17/82/586531782.db2.gz AWXRTDJOBVPGTA-SECBINFHSA-N 1 0 204.245 0.704 20 30 BCEDRO N#Cc1ccc2c(c1)C(=NNC(N)=[NH2+])CC2 ZINC000811638691 586562285 /nfs/dbraw/zinc/56/22/85/586562285.db2.gz WQSGNFIGUCBEGK-UHFFFAOYSA-N 1 0 213.244 0.692 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NCCC[NH+](C)C ZINC000811990046 586569241 /nfs/dbraw/zinc/56/92/41/586569241.db2.gz BJPYSCMHMOYLOQ-JTQLQIEISA-N 1 0 211.309 0.649 20 30 BCEDRO C#C[C@H](NC(=O)NCCC[NH+](C)C)C(C)C ZINC000811990944 586569280 /nfs/dbraw/zinc/56/92/80/586569280.db2.gz SECXKJJERDXSIF-NSHDSACASA-N 1 0 225.336 0.895 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC1CC[NH+](C)CC1 ZINC000812031565 586569791 /nfs/dbraw/zinc/56/97/91/586569791.db2.gz ZWIMPRPZEMXYDM-JTQLQIEISA-N 1 0 223.320 0.649 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000812055865 586570074 /nfs/dbraw/zinc/57/00/74/586570074.db2.gz CXQMSMHTKPLVKX-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C=C[C@H](O)C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000814542788 586624140 /nfs/dbraw/zinc/62/41/40/586624140.db2.gz ABZQSASXNUVDDE-QWRGUYRKSA-N 1 0 227.304 0.951 20 30 BCEDRO C=C[C@H](O)C(=O)OCC[NH+]1CCCCC1 ZINC000814550305 586624839 /nfs/dbraw/zinc/62/48/39/586624839.db2.gz RVALIQKWIXJCMZ-JTQLQIEISA-N 1 0 213.277 0.562 20 30 BCEDRO C=C[C@@H](O)C(=O)OCC[NH+]1CCCCC1 ZINC000814550310 586625004 /nfs/dbraw/zinc/62/50/04/586625004.db2.gz RVALIQKWIXJCMZ-SNVBAGLBSA-N 1 0 213.277 0.562 20 30 BCEDRO NC(=[NH2+])NN=Cc1nc2c(s1)CCC2 ZINC000814796004 586634365 /nfs/dbraw/zinc/63/43/65/586634365.db2.gz LDSUSFBXKXCAQN-UHFFFAOYSA-N 1 0 209.278 0.449 20 30 BCEDRO CSCc1cnc(C=NNC(N)=[NH2+])s1 ZINC000814796504 586634672 /nfs/dbraw/zinc/63/46/72/586634672.db2.gz GBLPLPLHGWRKLS-UHFFFAOYSA-N 1 0 229.334 0.823 20 30 BCEDRO Cc1cccc2c1OCC2=NNC(N)=[NH2+] ZINC000814796508 586634692 /nfs/dbraw/zinc/63/46/92/586634692.db2.gz GFDNPARVPGXVLD-UHFFFAOYSA-N 1 0 204.233 0.575 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCOC2(C)C)=[NH+]1 ZINC000814898792 586645880 /nfs/dbraw/zinc/64/58/80/586645880.db2.gz WFLTVBCZSLSRRH-SSDOTTSWSA-N 1 0 210.281 0.479 20 30 BCEDRO Cn1ncc(C=[NH+][N-]c2ccnc(F)c2)c1N ZINC000814902767 586646756 /nfs/dbraw/zinc/64/67/56/586646756.db2.gz UVJRXMBOOFLCTP-UHFFFAOYSA-N 1 0 234.238 0.982 20 30 BCEDRO OCCN=NC1CC[N@H+](Cc2ccccc2)C1 ZINC000814942361 586656513 /nfs/dbraw/zinc/65/65/13/586656513.db2.gz WPZYJCJCJQDGTF-UHFFFAOYSA-N 1 0 233.315 0.830 20 30 BCEDRO CC(=NNCCO)c1ccc2c(c1)CC[NH2+]CC2 ZINC000814943456 586657258 /nfs/dbraw/zinc/65/72/58/586657258.db2.gz OSKPUVANBNZKEM-UHFFFAOYSA-N 1 0 247.342 0.681 20 30 BCEDRO CNC(=O)C1([NH2+]CCOCCC#N)CCCC1 ZINC000815070192 586665111 /nfs/dbraw/zinc/66/51/11/586665111.db2.gz QTUSSAANOKQQCK-UHFFFAOYSA-N 1 0 239.319 0.565 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](OC)CC1 ZINC000815092314 586666136 /nfs/dbraw/zinc/66/61/36/586666136.db2.gz YXLDJBYDQYOBSK-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCOCCC#N ZINC000815095063 586666373 /nfs/dbraw/zinc/66/63/73/586666373.db2.gz LKDYACQKDVPLRG-VXGBXAGGSA-N 1 0 242.319 0.700 20 30 BCEDRO CC#CCN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000815279243 586676965 /nfs/dbraw/zinc/67/69/65/586676965.db2.gz FUVUTUQHRUYCQC-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO C#CC[NH+]1CCC(C)(N2CCOCC2)CC1 ZINC000859773941 589060507 /nfs/dbraw/zinc/06/05/07/589060507.db2.gz HOJGFIUFSHTJDX-UHFFFAOYSA-N 1 0 222.332 0.806 20 30 BCEDRO C#CCCCC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000816355537 586719894 /nfs/dbraw/zinc/71/98/94/586719894.db2.gz KZFLZOKDEBIHDO-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO CON=CC(=O)N(C)CCC[NH+]1CCCC1 ZINC000816507648 586737529 /nfs/dbraw/zinc/73/75/29/586737529.db2.gz NWFFLSYNXCYQJW-UHFFFAOYSA-N 1 0 227.308 0.563 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000816673405 586754335 /nfs/dbraw/zinc/75/43/35/586754335.db2.gz YECQNHMHZAAHJC-SRVKXCTJSA-N 1 0 238.331 0.217 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000859825584 589063793 /nfs/dbraw/zinc/06/37/93/589063793.db2.gz ZHNYSCVRGUSGAF-GMOBBJLQSA-N 1 0 224.304 0.137 20 30 BCEDRO C=C[C@H](O)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000816823401 586765964 /nfs/dbraw/zinc/76/59/64/586765964.db2.gz TXPTWXYFLBDNLY-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CO[C@H](C)C1 ZINC000842696268 586769009 /nfs/dbraw/zinc/76/90/09/586769009.db2.gz SMXIFQJUGGXRGL-NXEZZACHSA-N 1 0 233.333 0.354 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CO[C@@H](C)C1 ZINC000842696270 586769006 /nfs/dbraw/zinc/76/90/06/586769006.db2.gz SMXIFQJUGGXRGL-VHSXEESVSA-N 1 0 233.333 0.354 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817494537 586807959 /nfs/dbraw/zinc/80/79/59/586807959.db2.gz KBZVWORREJNZPF-NWDGAFQWSA-N 1 0 238.331 0.577 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(C)(F)F ZINC000818251770 586882375 /nfs/dbraw/zinc/88/23/75/586882375.db2.gz HFGBQBZUMSKFJA-UHFFFAOYSA-N 1 0 206.236 0.876 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1C(=O)C=NOC ZINC000818977709 586918956 /nfs/dbraw/zinc/91/89/56/586918956.db2.gz KEYZPHQBFPVFSZ-VIFPVBQESA-N 1 0 213.281 0.171 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCN(CC2CC2)C1 ZINC000819039284 586927029 /nfs/dbraw/zinc/92/70/29/586927029.db2.gz OZMKQWJLANOOMK-ZDUSSCGKSA-N 1 0 249.358 0.200 20 30 BCEDRO C#CCSCC[NH2+]C[C@@H](O)CCOCC ZINC000819093186 586930841 /nfs/dbraw/zinc/93/08/41/586930841.db2.gz KOVUVSQSEPBVQK-NSHDSACASA-N 1 0 231.361 0.730 20 30 BCEDRO C#CCCCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000819156640 586934296 /nfs/dbraw/zinc/93/42/96/586934296.db2.gz JKYLUNCGBOGFCD-ZDUSSCGKSA-N 1 0 237.347 0.586 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000819212063 586939134 /nfs/dbraw/zinc/93/91/34/586939134.db2.gz IRCJNMUAYYWTKV-RYUDHWBXSA-N 1 0 238.331 0.673 20 30 BCEDRO C=C(C)CC[NH2+]CCC(=O)N(C)OC ZINC000819344308 586954864 /nfs/dbraw/zinc/95/48/64/586954864.db2.gz HNZIFLMWFPDLMP-UHFFFAOYSA-N 1 0 200.282 0.952 20 30 BCEDRO C#Cc1cccc(C[NH2+]C[C@@H](O)COC)c1 ZINC000819356218 586956643 /nfs/dbraw/zinc/95/66/43/586956643.db2.gz CYDZTEMAEXDPJM-CYBMUJFWSA-N 1 0 219.284 0.765 20 30 BCEDRO C[C@H](CC#N)NN=C1CC[NH+](CCO)CC1 ZINC000819808928 586995148 /nfs/dbraw/zinc/99/51/48/586995148.db2.gz IXFJMPIMIBMMOA-SNVBAGLBSA-N 1 0 224.308 0.322 20 30 BCEDRO CC(C)(CO)CNN=C1CC[NH+](CCO)CC1 ZINC000819809906 586996593 /nfs/dbraw/zinc/99/65/93/586996593.db2.gz RHXBLZAIHNFQJV-UHFFFAOYSA-N 1 0 243.351 0.039 20 30 BCEDRO C#CC[C@H](CO)NC(=O)c1c[nH+]ccc1N(C)C ZINC000820059452 587015600 /nfs/dbraw/zinc/01/56/00/587015600.db2.gz FQRSDOQFLOPJLY-SNVBAGLBSA-N 1 0 247.298 0.262 20 30 BCEDRO C#CCN(CC#CC)C(=O)C[NH+]1CCCC1 ZINC000820317784 587043658 /nfs/dbraw/zinc/04/36/58/587043658.db2.gz RCBCOWKSFBHTLB-UHFFFAOYSA-N 1 0 218.300 0.567 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000820394041 587045641 /nfs/dbraw/zinc/04/56/41/587045641.db2.gz DIESNOWELMTWQB-NXEZZACHSA-N 1 0 211.309 0.648 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000820416380 587047255 /nfs/dbraw/zinc/04/72/55/587047255.db2.gz DVQOIEYANAESNC-MNOVXSKESA-N 1 0 223.320 0.601 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000820416378 587047362 /nfs/dbraw/zinc/04/73/62/587047362.db2.gz DVQOIEYANAESNC-GHMZBOCLSA-N 1 0 223.320 0.601 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000820435177 587048860 /nfs/dbraw/zinc/04/88/60/587048860.db2.gz GGCWBWWALSEJBQ-GHMZBOCLSA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000820440669 587049462 /nfs/dbraw/zinc/04/94/62/587049462.db2.gz MWIPRWUVORKLAR-LLVKDONJSA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000820440347 587049504 /nfs/dbraw/zinc/04/95/04/587049504.db2.gz IXSYKKJJSCGYCA-GFCCVEGCSA-N 1 0 237.347 0.991 20 30 BCEDRO C[NH+]1CCC(OCC(=O)N2CC(C#N)C2)CC1 ZINC000820507720 587052102 /nfs/dbraw/zinc/05/21/02/587052102.db2.gz UVTAUCBIASKBIH-UHFFFAOYSA-N 1 0 237.303 0.079 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164534 589084588 /nfs/dbraw/zinc/08/45/88/589084588.db2.gz JLEPTYMUZKEHNI-BBBLOLIVSA-N 1 0 211.261 0.028 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860165746 589084728 /nfs/dbraw/zinc/08/47/28/589084728.db2.gz TXSOKQAPCZNTRA-HBNTYKKESA-N 1 0 207.273 0.893 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860165742 589084751 /nfs/dbraw/zinc/08/47/51/589084751.db2.gz TXSOKQAPCZNTRA-GMTAPVOTSA-N 1 0 207.273 0.893 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc(N(C)C)s1 ZINC000821207331 587101455 /nfs/dbraw/zinc/10/14/55/587101455.db2.gz NXALQBZZXYPPEM-VIFPVBQESA-N 1 0 239.344 0.683 20 30 BCEDRO C#CC[NH2+][C@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000821288753 587104891 /nfs/dbraw/zinc/10/48/91/587104891.db2.gz WLWBJPMJKBSVQY-GFCCVEGCSA-N 1 0 233.315 0.847 20 30 BCEDRO C=C(C)C[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000821328056 587107758 /nfs/dbraw/zinc/10/77/58/587107758.db2.gz COLOYAJRFMDWMW-TXEJJXNPSA-N 1 0 208.305 0.973 20 30 BCEDRO C#CCN(CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000821385359 587114973 /nfs/dbraw/zinc/11/49/73/587114973.db2.gz BOFAWXNFULJIMG-LBPRGKRZSA-N 1 0 212.337 0.643 20 30 BCEDRO C#C[C@H](CC)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000821567429 587129050 /nfs/dbraw/zinc/12/90/50/587129050.db2.gz MYLWANGKPQOWHK-NWDGAFQWSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@H](NC(=O)[C@@H](C)[NH+](C)C)[C@H]1CCCO1 ZINC000822073792 587151056 /nfs/dbraw/zinc/15/10/56/587151056.db2.gz UGMXJZMRDDEEEL-OUAUKWLOSA-N 1 0 224.304 0.234 20 30 BCEDRO N#C[C@]1(F)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000822325172 587162274 /nfs/dbraw/zinc/16/22/74/587162274.db2.gz WWCJPNNQCJHWCN-LLVKDONJSA-N 1 0 225.267 0.546 20 30 BCEDRO C#C[C@H](CC)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000822406904 587165088 /nfs/dbraw/zinc/16/50/88/587165088.db2.gz KDJLNHQYAIJGNW-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@@H]1CCO ZINC000822438266 587168177 /nfs/dbraw/zinc/16/81/77/587168177.db2.gz XFBDHPYFLFBLGQ-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C#CCN(CC#N)C(=O)C[N@@H+](C)CC(C)(C)C ZINC000822681065 587180657 /nfs/dbraw/zinc/18/06/57/587180657.db2.gz XNWOYKVRCFFZIH-UHFFFAOYSA-N 1 0 235.331 0.950 20 30 BCEDRO C#CCN(CC#N)C(=O)C1(C[NH+](C)C)CC1 ZINC000822680147 587180937 /nfs/dbraw/zinc/18/09/37/587180937.db2.gz QADLYKYSIARKMB-UHFFFAOYSA-N 1 0 219.288 0.314 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000822761895 587184645 /nfs/dbraw/zinc/18/46/45/587184645.db2.gz FVQSUEXWSXOCBN-GHMZBOCLSA-N 1 0 236.315 0.378 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000822843386 587188817 /nfs/dbraw/zinc/18/88/17/587188817.db2.gz IDVLOWFCKPUDMD-NSHDSACASA-N 1 0 240.347 0.912 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000823053694 587199874 /nfs/dbraw/zinc/19/98/74/587199874.db2.gz SXAWKCZJNVCUFR-NSHDSACASA-N 1 0 240.347 0.465 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000823121239 587203618 /nfs/dbraw/zinc/20/36/18/587203618.db2.gz QKQOCHZUBJVGAD-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1CCO[C@H](C)C#N ZINC000823195133 587207352 /nfs/dbraw/zinc/20/73/52/587207352.db2.gz PMYDCZXMOGVEPS-VXGBXAGGSA-N 1 0 225.336 0.941 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000823314390 587216212 /nfs/dbraw/zinc/21/62/12/587216212.db2.gz HPKDXBGFDJTTMS-LBPRGKRZSA-N 1 0 240.347 0.871 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000823365804 587217711 /nfs/dbraw/zinc/21/77/11/587217711.db2.gz RESQRZZCKWBXFW-MNOVXSKESA-N 1 0 224.304 0.542 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000823438159 587221781 /nfs/dbraw/zinc/22/17/81/587221781.db2.gz CNXPJILMWKWGHY-LLVKDONJSA-N 1 0 226.320 0.526 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000823737058 587238710 /nfs/dbraw/zinc/23/87/10/587238710.db2.gz RRUIBDVMOGQLDP-OUAUKWLOSA-N 1 0 224.304 0.281 20 30 BCEDRO C=C(CO)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824086738 587254282 /nfs/dbraw/zinc/25/42/82/587254282.db2.gz OHWWPZFWSABGFU-ZJUUUORDSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CSC[C@H]1C ZINC000824142122 587257502 /nfs/dbraw/zinc/25/75/02/587257502.db2.gz JWKXYMYGNQDVEK-NXEZZACHSA-N 1 0 249.401 0.928 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CSC[C@@H]1C ZINC000824142126 587257613 /nfs/dbraw/zinc/25/76/13/587257613.db2.gz JWKXYMYGNQDVEK-UWVGGRQHSA-N 1 0 249.401 0.928 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000824705199 587283839 /nfs/dbraw/zinc/28/38/39/587283839.db2.gz HJZXFXQNTNLRFL-LBPRGKRZSA-N 1 0 221.304 0.844 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000825080359 587303274 /nfs/dbraw/zinc/30/32/74/587303274.db2.gz NUCDYDNVUIWMIB-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO CC(C)C#CC(=O)NCCN1CCO[C@@H](C)C1 ZINC000825160209 587307165 /nfs/dbraw/zinc/30/71/65/587307165.db2.gz OXXJZWIUPSONND-LBPRGKRZSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC(OC(C)C)C1 ZINC000825314112 587314459 /nfs/dbraw/zinc/31/44/59/587314459.db2.gz CYLMNHUYHFMWAY-UHFFFAOYSA-N 1 0 226.320 0.740 20 30 BCEDRO C#CCOCCNc1nc(N)[nH+]c2c1CCCC2 ZINC000825938957 587346250 /nfs/dbraw/zinc/34/62/50/587346250.db2.gz QRJJKAUSFFQRNW-UHFFFAOYSA-N 1 0 246.314 0.999 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(C)CCCC[NH+](C)C ZINC000826095113 587350789 /nfs/dbraw/zinc/35/07/89/587350789.db2.gz GQCWMVHPCOEXEQ-LBPRGKRZSA-N 1 0 240.347 0.825 20 30 BCEDRO CC(C)(C)[NH2+]CCC(=O)n1ncc(C#N)c1N ZINC000826896299 587364882 /nfs/dbraw/zinc/36/48/82/587364882.db2.gz RKUNBNZPEPWZQN-UHFFFAOYSA-N 1 0 235.291 0.755 20 30 BCEDRO C#CC1CCN(C(=O)NC[C@H](C)[NH+](C)C)CC1 ZINC000826923178 587365606 /nfs/dbraw/zinc/36/56/06/587365606.db2.gz MBOAPWLMUYIUFL-NSHDSACASA-N 1 0 237.347 0.991 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827318799 587376763 /nfs/dbraw/zinc/37/67/63/587376763.db2.gz JHPXGQOEAQVLRI-VWYCJHECSA-N 1 0 221.304 0.699 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827318798 587376827 /nfs/dbraw/zinc/37/68/27/587376827.db2.gz JHPXGQOEAQVLRI-OUAUKWLOSA-N 1 0 221.304 0.699 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827318797 587376850 /nfs/dbraw/zinc/37/68/50/587376850.db2.gz JHPXGQOEAQVLRI-MXWKQRLJSA-N 1 0 221.304 0.699 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000827384102 587379209 /nfs/dbraw/zinc/37/92/09/587379209.db2.gz NPBFJZNZABRRHW-TUAOUCFPSA-N 1 0 238.331 0.576 20 30 BCEDRO C#CCN1CCN(C(=O)[C@@H](C)CC#N)CC1 ZINC000827526278 587386172 /nfs/dbraw/zinc/38/61/72/587386172.db2.gz JLLHLIAOYDOUQU-NSHDSACASA-N 1 0 219.288 0.314 20 30 BCEDRO C=C[C@@H](CC)CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000827528770 587386321 /nfs/dbraw/zinc/38/63/21/587386321.db2.gz QJUABPKYZLATLC-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1cnccn1)C1CCOCC1 ZINC000827558855 587388075 /nfs/dbraw/zinc/38/80/75/587388075.db2.gz AGBMVXZLJXBEEO-CYBMUJFWSA-N 1 0 231.299 0.995 20 30 BCEDRO C#C[C@@H]([NH2+][C@H]1CCOC1)C1CCOCC1 ZINC000827565553 587388935 /nfs/dbraw/zinc/38/89/35/587388935.db2.gz MXCIJHMFQZXQLC-NWDGAFQWSA-N 1 0 209.289 0.793 20 30 BCEDRO CN1CCn2nc(NC(=O)CCCC#N)cc2C1 ZINC000829405615 587496414 /nfs/dbraw/zinc/49/64/14/587496414.db2.gz IQHZLSGSCBNYHK-UHFFFAOYSA-N 1 0 247.302 0.961 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000829706091 587510732 /nfs/dbraw/zinc/51/07/32/587510732.db2.gz YRSARFISLZVBPX-DCAQKATOSA-N 1 0 226.320 0.522 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000829773637 587515121 /nfs/dbraw/zinc/51/51/21/587515121.db2.gz HMKGICXLJFTGBV-VHSXEESVSA-N 1 0 237.303 0.305 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000829779325 587515510 /nfs/dbraw/zinc/51/55/10/587515510.db2.gz QLOWBTDMWXXAFN-ZIAGYGMSSA-N 1 0 247.342 0.979 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000829783988 587515549 /nfs/dbraw/zinc/51/55/49/587515549.db2.gz CXNFIENNRDGPQN-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000829779322 587515826 /nfs/dbraw/zinc/51/58/26/587515826.db2.gz QLOWBTDMWXXAFN-KGLIPLIRSA-N 1 0 247.342 0.979 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC000829785263 587516510 /nfs/dbraw/zinc/51/65/10/587516510.db2.gz SYDXKCQCOBJOBV-LBPRGKRZSA-N 1 0 211.305 0.731 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000829851759 587524469 /nfs/dbraw/zinc/52/44/69/587524469.db2.gz KOTKIGHMOYDFNP-WDEREUQCSA-N 1 0 244.335 0.006 20 30 BCEDRO C#CC1CC[NH+]([C@@H](C)C(=O)NC(=O)NC)CC1 ZINC000830304887 587545412 /nfs/dbraw/zinc/54/54/12/587545412.db2.gz AZOWWRPACPLHOJ-VIFPVBQESA-N 1 0 237.303 0.176 20 30 BCEDRO C#CC1CC[NH+](CCCNC(C)=O)CC1 ZINC000830321512 587545982 /nfs/dbraw/zinc/54/59/82/587545982.db2.gz OSSPHIQNQKCTCC-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000830321192 587546027 /nfs/dbraw/zinc/54/60/27/587546027.db2.gz ASPCGEFGQKAKPD-UHFFFAOYSA-N 1 0 237.303 0.307 20 30 BCEDRO C#CC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000830345546 587546167 /nfs/dbraw/zinc/54/61/67/587546167.db2.gz HWCXQZXJAWNLKE-SNVBAGLBSA-N 1 0 220.272 0.137 20 30 BCEDRO N#Cc1nc(F)ccc1OCC1C[NH2+]C1 ZINC000830400266 587549554 /nfs/dbraw/zinc/54/95/54/587549554.db2.gz WYSIUUWVKNVPIN-UHFFFAOYSA-N 1 0 207.208 0.691 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000830591190 587559493 /nfs/dbraw/zinc/55/94/93/587559493.db2.gz BJAHPWUQTRGHED-OUAUKWLOSA-N 1 0 206.289 0.514 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CCO)C1CCC1 ZINC000830671410 587563251 /nfs/dbraw/zinc/56/32/51/587563251.db2.gz BRMVJWGJBLMLCX-UHFFFAOYSA-N 1 0 226.320 0.478 20 30 BCEDRO C#CCCC[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000830866431 587574857 /nfs/dbraw/zinc/57/48/57/587574857.db2.gz YCXQCNQIEIMDCG-MNOVXSKESA-N 1 0 225.288 0.256 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831000765 587581819 /nfs/dbraw/zinc/58/18/19/587581819.db2.gz FPQPEAWFEVRDSB-OSFYFWSMSA-N 1 0 244.338 0.880 20 30 BCEDRO C#CCSCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000831044964 587583812 /nfs/dbraw/zinc/58/38/12/587583812.db2.gz OAHAREFXKXFXSN-LLVKDONJSA-N 1 0 241.360 0.404 20 30 BCEDRO C=CCONC(=O)NCCCCCC[NH3+] ZINC000831172411 587588798 /nfs/dbraw/zinc/58/87/98/587588798.db2.gz HSHBGBGXMQUTBB-UHFFFAOYSA-N 1 0 215.297 0.922 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831174332 587588890 /nfs/dbraw/zinc/58/88/90/587588890.db2.gz YUMIAVCHUOGHEF-NSHDSACASA-N 1 0 235.331 0.793 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831174331 587589059 /nfs/dbraw/zinc/58/90/59/587589059.db2.gz YUMIAVCHUOGHEF-LLVKDONJSA-N 1 0 235.331 0.793 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831186112 587590475 /nfs/dbraw/zinc/59/04/75/587590475.db2.gz JKNORWDMBCSRBQ-LLVKDONJSA-N 1 0 235.331 0.841 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCCCCCC[NH3+] ZINC000831273699 587594827 /nfs/dbraw/zinc/59/48/27/587594827.db2.gz APKCBLPODHHZIB-NSHDSACASA-N 1 0 243.351 0.742 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCCCCCC[NH3+] ZINC000831287967 587595730 /nfs/dbraw/zinc/59/57/30/587595730.db2.gz QDVVTIQZQGWOOF-SNVBAGLBSA-N 1 0 211.309 0.826 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCS(=O)(=O)CCC ZINC000831678939 587627641 /nfs/dbraw/zinc/62/76/41/587627641.db2.gz MMVHASJODSBJIK-MNOVXSKESA-N 1 0 247.360 0.744 20 30 BCEDRO CCO[C@H](CNC(=O)C#CC(C)C)C[NH+](C)C ZINC000831713569 587629042 /nfs/dbraw/zinc/62/90/42/587629042.db2.gz NYTKDCGJAWAUFH-GFCCVEGCSA-N 1 0 240.347 0.729 20 30 BCEDRO CCO[C@@H](CNC(=O)C#CC(C)C)C[NH+](C)C ZINC000831713570 587629098 /nfs/dbraw/zinc/62/90/98/587629098.db2.gz NYTKDCGJAWAUFH-LBPRGKRZSA-N 1 0 240.347 0.729 20 30 BCEDRO CCO[C@H](CNC(=O)CCCC#N)C[NH+](C)C ZINC000831717467 587629115 /nfs/dbraw/zinc/62/91/15/587629115.db2.gz COGLJGPGOMSYFQ-LLVKDONJSA-N 1 0 241.335 0.763 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000831822962 587633276 /nfs/dbraw/zinc/63/32/76/587633276.db2.gz MCIVQGYCUOPKJN-MNOVXSKESA-N 1 0 222.288 0.059 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1[C@@H](C)CCC1(C)C ZINC000832564091 587666264 /nfs/dbraw/zinc/66/62/64/587666264.db2.gz CELZSNXWFVIHPT-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CC2(C1)CCCOC2 ZINC000834373293 587753276 /nfs/dbraw/zinc/75/32/76/587753276.db2.gz FTWCVXFKEWNNNE-UHFFFAOYSA-N 1 0 236.315 0.238 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1CCSCC1 ZINC000834488660 587755811 /nfs/dbraw/zinc/75/58/11/587755811.db2.gz FTDQKVNLKKSCLW-UWVGGRQHSA-N 1 0 239.344 0.357 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@H]1CCCCO1 ZINC000834479555 587756122 /nfs/dbraw/zinc/75/61/22/587756122.db2.gz FWERCQSDWISOHE-GMTAPVOTSA-N 1 0 237.303 0.173 20 30 BCEDRO CCc1oc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1C ZINC000834480031 587756227 /nfs/dbraw/zinc/75/62/27/587756227.db2.gz KKSZFYUJUPSPPJ-ZJUUUORDSA-N 1 0 247.298 0.992 20 30 BCEDRO C=CCOCCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834480235 587756239 /nfs/dbraw/zinc/75/62/39/587756239.db2.gz NBSXFIACXIFOHP-MNOVXSKESA-N 1 0 237.303 0.197 20 30 BCEDRO CCCc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)[nH]n1 ZINC000834479526 587756260 /nfs/dbraw/zinc/75/62/60/587756260.db2.gz FKSOEMWNMXRVDI-KCJUWKMLSA-N 1 0 247.302 0.204 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(F)n1 ZINC000834479571 587756275 /nfs/dbraw/zinc/75/62/75/587756275.db2.gz GEUCNAJHLZFTPD-APPZFPTMSA-N 1 0 234.234 0.062 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000834481023 587756319 /nfs/dbraw/zinc/75/63/19/587756319.db2.gz ZGHPZAYTUSFGNW-UVOCVTCTSA-N 1 0 219.288 0.260 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCOCC1CC1 ZINC000834480680 587756373 /nfs/dbraw/zinc/75/63/73/587756373.db2.gz USFNJCDIYDAZRO-WDEREUQCSA-N 1 0 237.303 0.031 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(N)c1 ZINC000834485129 587756804 /nfs/dbraw/zinc/75/68/04/587756804.db2.gz SAFXOJOHLFKRFV-KOLCDFICSA-N 1 0 230.271 0.110 20 30 BCEDRO CCCCOCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834490994 587756961 /nfs/dbraw/zinc/75/69/61/587756961.db2.gz ZEDTVSDJDPMGCA-VHSXEESVSA-N 1 0 225.292 0.031 20 30 BCEDRO Cc1ccncc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834489045 587757255 /nfs/dbraw/zinc/75/72/55/587757255.db2.gz IRFGTKQMKHGOJJ-ONGXEEELSA-N 1 0 230.271 0.231 20 30 BCEDRO CC(=O)c1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)o1 ZINC000834499491 587757399 /nfs/dbraw/zinc/75/73/99/587757399.db2.gz IVBZCAXDZRHOII-BDAKNGLRSA-N 1 0 247.254 0.324 20 30 BCEDRO COCC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCC1 ZINC000834499173 587757411 /nfs/dbraw/zinc/75/74/11/587757411.db2.gz FMRYNXKJILXANK-NXEZZACHSA-N 1 0 237.303 0.031 20 30 BCEDRO CCn1nc(C)cc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834494518 587757459 /nfs/dbraw/zinc/75/74/59/587757459.db2.gz NRPQIPNIHBBYFC-UWVGGRQHSA-N 1 0 247.302 0.053 20 30 BCEDRO C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCCOC1 ZINC000834500333 587757714 /nfs/dbraw/zinc/75/77/14/587757714.db2.gz SEDDXCGXXYXUNE-NHCYSSNCSA-N 1 0 237.303 0.031 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)o1 ZINC000834504646 587757716 /nfs/dbraw/zinc/75/77/16/587757716.db2.gz DKQUNSDJKJDQFG-IUCAKERBSA-N 1 0 219.244 0.429 20 30 BCEDRO Cc1noc(C)c1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834505101 587757881 /nfs/dbraw/zinc/75/78/81/587757881.db2.gz HXQWZYRKDDVETL-IUCAKERBSA-N 1 0 234.259 0.133 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccc1 ZINC000834506277 587757889 /nfs/dbraw/zinc/75/78/89/587757889.db2.gz RMIDSDUKFMEQNP-MNOVXSKESA-N 1 0 215.256 0.528 20 30 BCEDRO COc1cccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834506190 587757937 /nfs/dbraw/zinc/75/79/37/587757937.db2.gz QKBUHYHVFXHGHZ-PWSUYJOCSA-N 1 0 245.282 0.537 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccccc1N ZINC000834505858 587758003 /nfs/dbraw/zinc/75/80/03/587758003.db2.gz OSUFFFQOIGMRSG-JQWIXIFHSA-N 1 0 244.298 0.039 20 30 BCEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(C)o1 ZINC000834512034 587758214 /nfs/dbraw/zinc/75/82/14/587758214.db2.gz RDXBOBHOOYBPFM-KOLCDFICSA-N 1 0 233.271 0.738 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1CC2(CCC2)C1 ZINC000834506225 587758276 /nfs/dbraw/zinc/75/82/76/587758276.db2.gz QXAOTMRHRITZGY-MNOVXSKESA-N 1 0 233.315 0.794 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CC1CCCC1 ZINC000834512188 587758373 /nfs/dbraw/zinc/75/83/73/587758373.db2.gz SQMWFYVMJYOPDZ-WDEREUQCSA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccccc1F ZINC000834512062 587758389 /nfs/dbraw/zinc/75/83/89/587758389.db2.gz RJPBGQAJWRTJFZ-JQWIXIFHSA-N 1 0 247.273 0.596 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Cl)o1 ZINC000834517712 587758433 /nfs/dbraw/zinc/75/84/33/587758433.db2.gz YMFOAKOMSPVLIX-RNFRBKRXSA-N 1 0 239.662 0.774 20 30 BCEDRO Cc1ccccc1CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834512499 587758468 /nfs/dbraw/zinc/75/84/68/587758468.db2.gz XYWZKEWHAGKEDB-OLZOCXBDSA-N 1 0 243.310 0.765 20 30 BCEDRO CC(C)(C)SCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834516532 587758575 /nfs/dbraw/zinc/75/85/75/587758575.db2.gz JQPIHWKRUINQTI-DTWKUNHWSA-N 1 0 241.360 0.746 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@@H]1CCCO1 ZINC000834515743 587758590 /nfs/dbraw/zinc/75/85/90/587758590.db2.gz BJCTTWCFQYNBCQ-VWYCJHECSA-N 1 0 237.303 0.173 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccsc1 ZINC000834512298 587758623 /nfs/dbraw/zinc/75/86/23/587758623.db2.gz UPJOPMAATNSECA-ZJUUUORDSA-N 1 0 235.312 0.518 20 30 BCEDRO C#CCn1cc(CNC(=O)C2([NH+](C)C)CC2)cn1 ZINC000834602789 587760488 /nfs/dbraw/zinc/76/04/88/587760488.db2.gz DBSGQFNAVRWKFH-UHFFFAOYSA-N 1 0 246.314 0.227 20 30 BCEDRO C#CCn1cc(CNC(=O)[C@H]2CCC[N@H+]2C)cn1 ZINC000834609647 587760898 /nfs/dbraw/zinc/76/08/98/587760898.db2.gz FWNBJJXAXBKJMR-GFCCVEGCSA-N 1 0 246.314 0.227 20 30 BCEDRO C[C@H](CO)N[NH+]=C1CCCc2nc(N)ccc21 ZINC000834963187 587772966 /nfs/dbraw/zinc/77/29/66/587772966.db2.gz BSISJEUSIVSFKP-MRVPVSSYSA-N 1 0 234.303 0.675 20 30 BCEDRO C#CCSCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000836319244 587830534 /nfs/dbraw/zinc/83/05/34/587830534.db2.gz MRIRTDVIHDLPAE-JTQLQIEISA-N 1 0 243.376 0.602 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N1CC=CCC1 ZINC000836490220 587834296 /nfs/dbraw/zinc/83/42/96/587834296.db2.gz NTOBFAFWJGCVKM-UHFFFAOYSA-N 1 0 235.331 0.913 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)C(=C)C[NH+](C)C ZINC000836878924 587840786 /nfs/dbraw/zinc/84/07/86/587840786.db2.gz DZCABQKVSACNGX-NEPJUHHUSA-N 1 0 238.331 0.954 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C)C[C@H](O)C1 ZINC000837173653 587857331 /nfs/dbraw/zinc/85/73/31/587857331.db2.gz ULFCAIWXVDESQR-KOLCDFICSA-N 1 0 226.320 0.334 20 30 BCEDRO CC#CC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000837192623 587858692 /nfs/dbraw/zinc/85/86/92/587858692.db2.gz RVNTUIFRVMMILD-NSHDSACASA-N 1 0 208.305 0.951 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000837193571 587858989 /nfs/dbraw/zinc/85/89/89/587858989.db2.gz WDDDXHWECYGRPM-NSHDSACASA-N 1 0 226.320 0.476 20 30 BCEDRO CN(C(=O)C#CC1CC1)[C@H]1C[NH+]2CCC1CC2 ZINC000837411433 587871043 /nfs/dbraw/zinc/87/10/43/587871043.db2.gz VOKLJZMGEINFRS-ZDUSSCGKSA-N 1 0 232.327 0.952 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)C#CC1CC1 ZINC000837414761 587871245 /nfs/dbraw/zinc/87/12/45/587871245.db2.gz JWXBWJCJTGCBSU-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](OCC)C1 ZINC000837733407 587893119 /nfs/dbraw/zinc/89/31/19/587893119.db2.gz AZDFJPXIYJRPLF-PHIMTYICSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CCO[C@@H](C)C(=O)OCC[NH+](CC)CC ZINC000837843307 587899371 /nfs/dbraw/zinc/89/93/71/587899371.db2.gz PGMDSGALYYEGED-NSHDSACASA-N 1 0 227.304 0.910 20 30 BCEDRO C#CCNC(=S)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000840757412 587919898 /nfs/dbraw/zinc/91/98/98/587919898.db2.gz JUPXEHBQYSGUGT-AOOOYVTPSA-N 1 0 225.361 0.519 20 30 BCEDRO C#Cc1ccc(C[NH2+]C[C@@H]2CNC(=O)C2)cc1 ZINC000840955230 587931627 /nfs/dbraw/zinc/93/16/27/587931627.db2.gz OXNSZASJVCNVHC-CYBMUJFWSA-N 1 0 228.295 0.894 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCC2(C1)OCCO2 ZINC000104081279 587932946 /nfs/dbraw/zinc/93/29/46/587932946.db2.gz SARPUZIPBKLGDC-SNVBAGLBSA-N 1 0 240.303 0.126 20 30 BCEDRO C#CCOCCC(=O)NCC1([NH+](C)C)CC1 ZINC000841454586 587955168 /nfs/dbraw/zinc/95/51/68/587955168.db2.gz DRYZKVHSWXCOSL-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000841453011 587955363 /nfs/dbraw/zinc/95/53/63/587955363.db2.gz MVJXLELBVDJFOL-JGZJWPJOSA-N 1 0 212.293 0.134 20 30 BCEDRO CC(C)(C)NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841507135 587957168 /nfs/dbraw/zinc/95/71/68/587957168.db2.gz VTFVNMROLXKJJY-HTQZYQBOSA-N 1 0 210.281 0.196 20 30 BCEDRO C[C@H](O)CN(C)N=C1C[C@@H](C)N(C2CC2)C1 ZINC000841654917 587967834 /nfs/dbraw/zinc/96/78/34/587967834.db2.gz YUWHAZNSIBEGOB-ZJUUUORDSA-N 1 0 225.336 0.912 20 30 BCEDRO Cc1cc2c(cc1C)C(=NNC1=[NH+]CCN1)CO2 ZINC000841659773 587969592 /nfs/dbraw/zinc/96/95/92/587969592.db2.gz LUIYSGYNKBHELS-UHFFFAOYSA-N 1 0 244.298 0.949 20 30 BCEDRO C#CCSCCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000841831503 587976199 /nfs/dbraw/zinc/97/61/99/587976199.db2.gz UWQGFVULMAGBPT-SECBINFHSA-N 1 0 227.333 0.095 20 30 BCEDRO C#CCSCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000841832503 587976806 /nfs/dbraw/zinc/97/68/06/587976806.db2.gz PAQJDPUIYDHYMB-DTWKUNHWSA-N 1 0 229.349 0.388 20 30 BCEDRO C#CCCCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000841884711 587979342 /nfs/dbraw/zinc/97/93/42/587979342.db2.gz FKMRLTDZDQSSMN-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000841876044 587979893 /nfs/dbraw/zinc/97/98/93/587979893.db2.gz RRYLFGCJEGEQIK-NSHDSACASA-N 1 0 241.335 0.453 20 30 BCEDRO C#C[C@H](NC(=O)NCCC[NH2+]C)[C@H]1CCCO1 ZINC000841880872 587980215 /nfs/dbraw/zinc/98/02/15/587980215.db2.gz JNOQGCWHPOMXNZ-WDEREUQCSA-N 1 0 239.319 0.076 20 30 BCEDRO C#C[C@H](NC(=O)NC(C)(C)C[NH3+])[C@H]1CCCO1 ZINC000841881441 587980339 /nfs/dbraw/zinc/98/03/39/587980339.db2.gz RCESMIUQUCGEDK-VHSXEESVSA-N 1 0 239.319 0.204 20 30 BCEDRO C#CCCCNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000841885308 587980840 /nfs/dbraw/zinc/98/08/40/587980840.db2.gz IJMHYUBUXJXYKN-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000841887177 587981319 /nfs/dbraw/zinc/98/13/19/587981319.db2.gz ZNOILOTZSCNDNL-SNVBAGLBSA-N 1 0 211.309 0.682 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000841904721 587983335 /nfs/dbraw/zinc/98/33/35/587983335.db2.gz VHNGTEPCLYIVNN-NXEZZACHSA-N 1 0 209.293 0.305 20 30 BCEDRO C#Cc1ccc(CNC(=O)NCC2C[NH2+]C2)cc1 ZINC000841908975 587983828 /nfs/dbraw/zinc/98/38/28/587983828.db2.gz YREUJDWDEKSMEC-UHFFFAOYSA-N 1 0 243.310 0.687 20 30 BCEDRO C=CCONC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841914058 587984726 /nfs/dbraw/zinc/98/47/26/587984726.db2.gz YBSWSHKRTQNPDF-SNVBAGLBSA-N 1 0 227.308 0.921 20 30 BCEDRO C=CCONC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000841913783 587984794 /nfs/dbraw/zinc/98/47/94/587984794.db2.gz TZVCAKIKYMRNBQ-LLVKDONJSA-N 1 0 243.307 0.172 20 30 BCEDRO C=CCONC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000841914056 587984846 /nfs/dbraw/zinc/98/48/46/587984846.db2.gz YBSWSHKRTQNPDF-JTQLQIEISA-N 1 0 227.308 0.921 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000841914093 587984859 /nfs/dbraw/zinc/98/48/59/587984859.db2.gz YRSAOZHTTYDDBE-PHIMTYICSA-N 1 0 239.319 0.745 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841922692 587985228 /nfs/dbraw/zinc/98/52/28/587985228.db2.gz RMCXWOSAUCFZMD-UWVGGRQHSA-N 1 0 209.293 0.449 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000841924348 587985519 /nfs/dbraw/zinc/98/55/19/587985519.db2.gz YIMNCZJDTUUUJK-ZJUUUORDSA-N 1 0 209.293 0.307 20 30 BCEDRO C=C(Cl)CNC(=O)NCC[NH2+]C1CC1 ZINC000841930635 587985815 /nfs/dbraw/zinc/98/58/15/587985815.db2.gz VPZXMOUQNVPWCN-UHFFFAOYSA-N 1 0 217.700 0.790 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841981036 587987466 /nfs/dbraw/zinc/98/74/66/587987466.db2.gz PCZHEAAEZZWGLN-AEJSXWLSSA-N 1 0 209.293 0.577 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841980832 587987529 /nfs/dbraw/zinc/98/75/29/587987529.db2.gz IDCWVWWSRDPNCJ-NXEZZACHSA-N 1 0 209.293 0.579 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841982176 587987705 /nfs/dbraw/zinc/98/77/05/587987705.db2.gz RNVCKEDNOJOFHD-MNOVXSKESA-N 1 0 223.320 0.921 20 30 BCEDRO C#CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000841977537 587987721 /nfs/dbraw/zinc/98/77/21/587987721.db2.gz MSGLADRXWGOPLV-UWVGGRQHSA-N 1 0 209.293 0.307 20 30 BCEDRO C#C[C@H](C)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842007217 587988432 /nfs/dbraw/zinc/98/84/32/587988432.db2.gz WUYSTHHFDXTVHQ-WDEREUQCSA-N 1 0 223.320 0.840 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@@H]([NH3+])CC ZINC000842004506 587988453 /nfs/dbraw/zinc/98/84/53/587988453.db2.gz FOMMMAWSTAZULB-ZETCQYMHSA-N 1 0 205.689 0.775 20 30 BCEDRO C#CCCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000841996906 587988618 /nfs/dbraw/zinc/98/86/18/587988618.db2.gz CEJQMBRBAAUSBH-SNVBAGLBSA-N 1 0 211.309 0.826 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000842012022 587988861 /nfs/dbraw/zinc/98/88/61/587988861.db2.gz VXLDCXVJFUJMKB-VIFPVBQESA-N 1 0 247.726 0.417 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000842012021 587989024 /nfs/dbraw/zinc/98/90/24/587989024.db2.gz VXLDCXVJFUJMKB-SECBINFHSA-N 1 0 247.726 0.417 20 30 BCEDRO Cn1ncnc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000842529088 588033743 /nfs/dbraw/zinc/03/37/43/588033743.db2.gz OIXPUTCXAZEZCH-IUCAKERBSA-N 1 0 247.306 0.009 20 30 BCEDRO OCC[NH+]1CCC(=NNC23CC(C2)C3)CC1 ZINC000842543838 588039114 /nfs/dbraw/zinc/03/91/14/588039114.db2.gz CAULLEKGHMEGBZ-UHFFFAOYSA-N 1 0 223.320 0.573 20 30 BCEDRO CCCON=C1CC[NH+](CCO)CC1 ZINC000842557181 588042646 /nfs/dbraw/zinc/04/26/46/588042646.db2.gz UFEHLDOSZXZUJX-UHFFFAOYSA-N 1 0 200.282 0.857 20 30 BCEDRO C#CC1CC[NH+](CN2C[C@@H](OC)CC2=O)CC1 ZINC000842634278 588047713 /nfs/dbraw/zinc/04/77/13/588047713.db2.gz RTMNAVVEZXAMRI-LBPRGKRZSA-N 1 0 236.315 0.536 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CO[C@H](C)C1)[C@@H]1CCCO1 ZINC000842700299 588054010 /nfs/dbraw/zinc/05/40/10/588054010.db2.gz WWXKLZVGHIABKV-RHYQMDGZSA-N 1 0 209.289 0.934 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)CSC ZINC000843101754 588077780 /nfs/dbraw/zinc/07/77/80/588077780.db2.gz QTTIKSMLPSHKCX-ZJUUUORDSA-N 1 0 217.334 0.074 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000843075864 588079411 /nfs/dbraw/zinc/07/94/11/588079411.db2.gz BCGYYQVUDVZFOC-LSDHHAIUSA-N 1 0 247.338 0.954 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000843075863 588079579 /nfs/dbraw/zinc/07/95/79/588079579.db2.gz BCGYYQVUDVZFOC-HUUCEWRRSA-N 1 0 247.338 0.954 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)C[C@H](C)CC ZINC000843074109 588079595 /nfs/dbraw/zinc/07/95/95/588079595.db2.gz BZHOECZHAMPUOD-NEPJUHHUSA-N 1 0 240.347 0.513 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]CCC(=O)N(C)OC ZINC000843105139 588081620 /nfs/dbraw/zinc/08/16/20/588081620.db2.gz QSBQEAYDZUUOEU-SNVBAGLBSA-N 1 0 230.308 0.171 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](C#N)CCC#N ZINC000843102077 588081759 /nfs/dbraw/zinc/08/17/59/588081759.db2.gz SUOWYUUDGUNIDZ-RYUDHWBXSA-N 1 0 219.288 0.794 20 30 BCEDRO C=CCCc1noc(C[C@@H]2C[NH2+]CCO2)n1 ZINC000843237943 588094815 /nfs/dbraw/zinc/09/48/15/588094815.db2.gz IRNDRHUEMQWKAS-SECBINFHSA-N 1 0 223.276 0.719 20 30 BCEDRO CCN(OC)C(=O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000843431038 588106259 /nfs/dbraw/zinc/10/62/59/588106259.db2.gz VNPFCPKCUAHECK-VHSXEESVSA-N 1 0 225.292 0.678 20 30 BCEDRO CCC/C(C)=C/C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843458884 588112065 /nfs/dbraw/zinc/11/20/65/588112065.db2.gz AVPCVUMAEQEOAA-UJQHZETGSA-N 1 0 221.304 0.961 20 30 BCEDRO CC(C)(C)/C=C\C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843461862 588112402 /nfs/dbraw/zinc/11/24/02/588112402.db2.gz XMFODOBFZDTOLS-YVDHIRPGSA-N 1 0 221.304 0.816 20 30 BCEDRO CC(C)(C)/C=C/C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843461859 588112432 /nfs/dbraw/zinc/11/24/32/588112432.db2.gz XMFODOBFZDTOLS-OCIBVNFRSA-N 1 0 221.304 0.816 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(C2CC2)on1 ZINC000843463243 588113159 /nfs/dbraw/zinc/11/31/59/588113159.db2.gz VYZFMVNUKAPOHG-PSASIEDQSA-N 1 0 246.270 0.393 20 30 BCEDRO CC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCCC1 ZINC000843463839 588113175 /nfs/dbraw/zinc/11/31/75/588113175.db2.gz YICUMEUGBHHVLN-NXEZZACHSA-N 1 0 221.304 0.794 20 30 BCEDRO C#CC(C)(C)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843799568 588141373 /nfs/dbraw/zinc/14/13/73/588141373.db2.gz YGWVJLZTXAJYSC-NXEZZACHSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CC1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000844045187 588157816 /nfs/dbraw/zinc/15/78/16/588157816.db2.gz CGKHKNUJESMKIG-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCNC(=O)N(C)CC[NH+]1CCCCC1 ZINC000844284070 588180707 /nfs/dbraw/zinc/18/07/07/588180707.db2.gz OEKDVGXLLFJCTA-UHFFFAOYSA-N 1 0 223.320 0.747 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CO)[C@@H](C)CCC ZINC000844381008 588186821 /nfs/dbraw/zinc/18/68/21/588186821.db2.gz ZRHVAPNTBYQHAC-WDEREUQCSA-N 1 0 226.320 0.123 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)[C@@H]1CCCOC1 ZINC000844401409 588190097 /nfs/dbraw/zinc/19/00/97/588190097.db2.gz KXEVVSDRXRBJAK-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H](C)CCO ZINC000844448603 588195044 /nfs/dbraw/zinc/19/50/44/588195044.db2.gz GIPPKVYQNGIDOC-UWVGGRQHSA-N 1 0 200.282 0.618 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844470838 588198010 /nfs/dbraw/zinc/19/80/10/588198010.db2.gz LZNCZDGUKZTZMT-MWLCHTKSSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844470836 588198273 /nfs/dbraw/zinc/19/82/73/588198273.db2.gz LZNCZDGUKZTZMT-KOLCDFICSA-N 1 0 242.269 0.855 20 30 BCEDRO C=C(C)CONC(=O)N1CCC[N@@H+](C)CC1 ZINC000845589147 588234215 /nfs/dbraw/zinc/23/42/15/588234215.db2.gz ARKKUTVINJBHDR-UHFFFAOYSA-N 1 0 227.308 0.841 20 30 BCEDRO C=C(C)CONC(=O)NCC[NH+](C)C ZINC000845603540 588235322 /nfs/dbraw/zinc/23/53/22/588235322.db2.gz LACOIAYMKMPDRB-UHFFFAOYSA-N 1 0 201.270 0.355 20 30 BCEDRO C=C[C@H](C)ONC(=O)NCC[N@H+](CC)CCO ZINC000845622908 588237606 /nfs/dbraw/zinc/23/76/06/588237606.db2.gz FGDCDKJDUBFCNX-JTQLQIEISA-N 1 0 245.323 0.106 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000845642176 588239512 /nfs/dbraw/zinc/23/95/12/588239512.db2.gz OEOKTOMMUCDFRQ-ZJUUUORDSA-N 1 0 227.308 0.886 20 30 BCEDRO C=C[C@H](C)ONC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000845642172 588239652 /nfs/dbraw/zinc/23/96/52/588239652.db2.gz OEOKTOMMUCDFRQ-UWVGGRQHSA-N 1 0 227.308 0.886 20 30 BCEDRO C#C[C@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000846183314 588259388 /nfs/dbraw/zinc/25/93/88/588259388.db2.gz HGSKQKPTMDUCAQ-VIFPVBQESA-N 1 0 209.293 0.436 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000846184242 588259577 /nfs/dbraw/zinc/25/95/77/588259577.db2.gz YYMNYFIEFSFHBQ-JTQLQIEISA-N 1 0 223.320 0.779 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)/C=C(\C)COC ZINC000846227782 588260086 /nfs/dbraw/zinc/26/00/86/588260086.db2.gz IDRUGESVRDWFNK-ZRDIBKRKSA-N 1 0 238.331 0.650 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C)CCO ZINC000846597059 588278776 /nfs/dbraw/zinc/27/87/76/588278776.db2.gz RTROSIMAXHPLKX-JTQLQIEISA-N 1 0 214.309 0.334 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000846678644 588282202 /nfs/dbraw/zinc/28/22/02/588282202.db2.gz WIANGUCSJKNZIK-MLGHIDQZSA-N 1 0 245.326 0.816 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(C#N)CCCC1 ZINC000846677812 588282315 /nfs/dbraw/zinc/28/23/15/588282315.db2.gz OTZISLBYTYLYAL-VHSXEESVSA-N 1 0 232.287 0.298 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C\C1CCCC1 ZINC000846678919 588282404 /nfs/dbraw/zinc/28/24/04/588282404.db2.gz XJUYUWNPHZSSHD-DUVUQDDDSA-N 1 0 233.315 0.961 20 30 BCEDRO C#C[C@H]([NH2+]CCCC(=O)N(C)C)[C@H]1CCCO1 ZINC000846861859 588294029 /nfs/dbraw/zinc/29/40/29/588294029.db2.gz SHCKYQGJYDSILQ-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@@H]([NH2+]CCCC(=O)NC)[C@H]1CCCO1 ZINC000846861133 588294161 /nfs/dbraw/zinc/29/41/61/588294161.db2.gz OLCTYIZQZWOGNE-GHMZBOCLSA-N 1 0 224.304 0.283 20 30 BCEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H]1CN(CC)C(=O)O1 ZINC000846880081 588295084 /nfs/dbraw/zinc/29/50/84/588295084.db2.gz SNQUEASAZRAHMN-NXEZZACHSA-N 1 0 210.277 0.781 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000846921179 588296703 /nfs/dbraw/zinc/29/67/03/588296703.db2.gz OGEHIVBMIXHILD-MNOVXSKESA-N 1 0 239.319 0.468 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000846921178 588296855 /nfs/dbraw/zinc/29/68/55/588296855.db2.gz OGEHIVBMIXHILD-GHMZBOCLSA-N 1 0 239.319 0.468 20 30 BCEDRO C#CCCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000846953398 588298351 /nfs/dbraw/zinc/29/83/51/588298351.db2.gz AVZGPPCNWHYWJH-UHFFFAOYSA-N 1 0 219.288 0.458 20 30 BCEDRO C=C(CO)C(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000846990107 588300604 /nfs/dbraw/zinc/30/06/04/588300604.db2.gz WRLKEVDKEAXXDO-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO CC[C@H](CC#N)NC[C@@H](O)C[NH+]1CCCC1 ZINC000846996314 588301000 /nfs/dbraw/zinc/30/10/00/588301000.db2.gz WGQAYNNVMDLJLX-VXGBXAGGSA-N 1 0 225.336 0.725 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000847019371 588301873 /nfs/dbraw/zinc/30/18/73/588301873.db2.gz PJXUZLPURAHROS-RYUDHWBXSA-N 1 0 241.356 0.766 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)N(C)OC)C1 ZINC000847021088 588302779 /nfs/dbraw/zinc/30/27/79/588302779.db2.gz IUUFDCHNLUDBHZ-SNVBAGLBSA-N 1 0 210.277 0.351 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)NC2CC2)C1 ZINC000847024971 588303746 /nfs/dbraw/zinc/30/37/46/588303746.db2.gz AWGCUHZGNVQBIF-SNVBAGLBSA-N 1 0 206.289 0.610 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC2CC2)C1 ZINC000847029169 588304145 /nfs/dbraw/zinc/30/41/45/588304145.db2.gz LLUMHBBLMCVTHH-WDEREUQCSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)NCC=C)C1 ZINC000847028752 588304265 /nfs/dbraw/zinc/30/42/65/588304265.db2.gz KOVWBNYATDDHHW-NSHDSACASA-N 1 0 206.289 0.634 20 30 BCEDRO C#C[C@H](NC(=O)C1([NH+](C)C)CC1)C(C)C ZINC000847112184 588306519 /nfs/dbraw/zinc/30/65/19/588306519.db2.gz AEJVFOMVDWOYBB-JTQLQIEISA-N 1 0 208.305 0.855 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847178862 588308846 /nfs/dbraw/zinc/30/88/46/588308846.db2.gz GQPFXMBACSDKHS-SDDRHHMPSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCOCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000847718808 588327270 /nfs/dbraw/zinc/32/72/70/588327270.db2.gz AQTSNOUUEFXYDA-NSHDSACASA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCO[C@@H](C)C(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847820921 588333978 /nfs/dbraw/zinc/33/39/78/588333978.db2.gz WHJQXEULSXJWOS-RYUDHWBXSA-N 1 0 239.315 0.910 20 30 BCEDRO C#CCOCCC(=O)OCC[C@H]1CC[N@@H+](C)C1 ZINC000847822540 588334008 /nfs/dbraw/zinc/33/40/08/588334008.db2.gz DGODRHRYEWYDJR-GFCCVEGCSA-N 1 0 239.315 0.911 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000848035069 588348773 /nfs/dbraw/zinc/34/87/73/588348773.db2.gz KORKOZQGGFLTTF-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000848035066 588349073 /nfs/dbraw/zinc/34/90/73/588349073.db2.gz KORKOZQGGFLTTF-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc2ncnn2c1 ZINC000848247583 588367651 /nfs/dbraw/zinc/36/76/51/588367651.db2.gz OEYLEYDANAGIDJ-UHFFFAOYSA-N 1 0 245.286 0.786 20 30 BCEDRO CON=CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848352100 588373200 /nfs/dbraw/zinc/37/32/00/588373200.db2.gz LIGUMOUCLOCADU-WDEREUQCSA-N 1 0 239.319 0.752 20 30 BCEDRO C1CNC(N=NC2CCC[N@@H+]3CCCC[C@@H]23)=N1 ZINC000848411662 588380297 /nfs/dbraw/zinc/38/02/97/588380297.db2.gz BENGPGMHEXDHNN-NSHDSACASA-N 1 0 235.335 0.540 20 30 BCEDRO C/C(=C\c1ccco1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000848419637 588382877 /nfs/dbraw/zinc/38/28/77/588382877.db2.gz ZSNJKFHYFYQMAH-CLPHVZMJSA-N 1 0 245.282 0.911 20 30 BCEDRO C#C[C@H]1CCCN(C(=S)NCC[NH+](C)C)C1 ZINC000848649110 588403986 /nfs/dbraw/zinc/40/39/86/588403986.db2.gz ZYHLWWXNAKSCAC-NSHDSACASA-N 1 0 239.388 0.768 20 30 BCEDRO C#C[C@@H](C)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000848910542 588419201 /nfs/dbraw/zinc/41/92/01/588419201.db2.gz MBWAVZXJTJTXMO-DGCLKSJQSA-N 1 0 222.332 0.851 20 30 BCEDRO CN1CC[NH+]=C1NCCCOCC(F)(F)F ZINC000848988202 588426250 /nfs/dbraw/zinc/42/62/50/588426250.db2.gz LMIYMMOQTMLSRS-UHFFFAOYSA-N 1 0 239.241 0.846 20 30 BCEDRO CN(C)C(=[NH+]C[C@@H](O)c1ccco1)N(C)C ZINC000848989646 588426688 /nfs/dbraw/zinc/42/66/88/588426688.db2.gz NMGMVRLDMPBQJL-SECBINFHSA-N 1 0 225.292 0.792 20 30 BCEDRO CCNC(=[NH2+])NCCNc1ncccc1C#N ZINC000848989755 588426691 /nfs/dbraw/zinc/42/66/91/588426691.db2.gz ZDQHQYWJRAGYQI-UHFFFAOYSA-N 1 0 232.291 0.499 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCNc2ccc(C#N)cn2)N1 ZINC000848991522 588427312 /nfs/dbraw/zinc/42/73/12/588427312.db2.gz LIEJFCGSGJKHAY-VIFPVBQESA-N 1 0 244.302 0.302 20 30 BCEDRO CNC(=[NH2+])NCCNc1ccc(C#N)cn1 ZINC000848991641 588427432 /nfs/dbraw/zinc/42/74/32/588427432.db2.gz XEELUBULOIPQMH-UHFFFAOYSA-N 1 0 218.264 0.109 20 30 BCEDRO COC(=O)CCCCNC1=[NH+]CCN1C ZINC000848998765 588429866 /nfs/dbraw/zinc/42/98/66/588429866.db2.gz SUDPTMQLXPZAIC-UHFFFAOYSA-N 1 0 213.281 0.221 20 30 BCEDRO CCC(O)(CC)CNC(NC1CC1)=[NH+]C ZINC000849000092 588430206 /nfs/dbraw/zinc/43/02/06/588430206.db2.gz FAQWTANTHLAWDH-UHFFFAOYSA-N 1 0 213.325 0.865 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCCNc2ncccn2)N1 ZINC000849000521 588430818 /nfs/dbraw/zinc/43/08/18/588430818.db2.gz XWPIZLWSEVLZSY-VIFPVBQESA-N 1 0 234.307 0.216 20 30 BCEDRO C=CCNC(=[NH2+])NCCC(=O)NC(C)(C)C ZINC000849003633 588431124 /nfs/dbraw/zinc/43/11/24/588431124.db2.gz XAJQXIKDSPDWMS-UHFFFAOYSA-N 1 0 226.324 0.591 20 30 BCEDRO Cc1noc(CCCNC2=[NH+]CCN2C)n1 ZINC000849002001 588431135 /nfs/dbraw/zinc/43/11/35/588431135.db2.gz GWFZHNXAUGGPNJ-UHFFFAOYSA-N 1 0 223.280 0.202 20 30 BCEDRO CNC(NCCc1ccc2c[nH]nc2c1)=[NH+]C ZINC000849003294 588431381 /nfs/dbraw/zinc/43/13/81/588431381.db2.gz DXAMCVDIGXTLIC-UHFFFAOYSA-N 1 0 231.303 0.900 20 30 BCEDRO CNC(NC[C@]1(C)CCCC[C@@H]1O)=[NH+]C ZINC000849004591 588431835 /nfs/dbraw/zinc/43/18/35/588431835.db2.gz PIUSQXKVQMXWCY-ONGXEEELSA-N 1 0 213.325 0.722 20 30 BCEDRO C[NH+]=C(NCCN1CCSCC1)NC1CC1 ZINC000849005476 588432733 /nfs/dbraw/zinc/43/27/33/588432733.db2.gz DCFUUBZEQZSYAD-UHFFFAOYSA-N 1 0 242.392 0.363 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(C(=O)NC)cc1 ZINC000849006917 588432892 /nfs/dbraw/zinc/43/28/92/588432892.db2.gz FXANVVIRXJYOHG-UHFFFAOYSA-N 1 0 246.314 0.846 20 30 BCEDRO C=CCNC(=[NH2+])NCCOC[C@@H]1CCOC1 ZINC000849006480 588433228 /nfs/dbraw/zinc/43/32/28/588433228.db2.gz BJSMKHDBYVVGCB-SNVBAGLBSA-N 1 0 227.308 0.339 20 30 BCEDRO C#CCCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849011113 588435038 /nfs/dbraw/zinc/43/50/38/588435038.db2.gz SOBSRKYTYSYZDQ-JTQLQIEISA-N 1 0 209.293 0.645 20 30 BCEDRO CCCCOCCOCCNC1=[NH+]C[C@H](C)N1 ZINC000849010840 588435077 /nfs/dbraw/zinc/43/50/77/588435077.db2.gz NSPUPYBTXNNZAF-NSHDSACASA-N 1 0 243.351 0.757 20 30 BCEDRO COC1CCN(CCNC2=[NH+]C[C@H](C)N2)CC1 ZINC000849011840 588435381 /nfs/dbraw/zinc/43/53/81/588435381.db2.gz QPQBJWHKDADUDV-JTQLQIEISA-N 1 0 240.351 0.035 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000849015592 588436790 /nfs/dbraw/zinc/43/67/90/588436790.db2.gz CMXPITUEAGPFIB-GHMZBOCLSA-N 1 0 241.335 0.464 20 30 BCEDRO CNC(NCCc1ccc(CO)cc1)=[NH+]C ZINC000849016911 588437549 /nfs/dbraw/zinc/43/75/49/588437549.db2.gz RBOFGGYTIHLXMJ-UHFFFAOYSA-N 1 0 221.304 0.516 20 30 BCEDRO C#CCOCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000849017817 588437743 /nfs/dbraw/zinc/43/77/43/588437743.db2.gz IXANVSCCRYXIJQ-NSHDSACASA-N 1 0 223.320 0.892 20 30 BCEDRO C#CCOCCNC(=[NH2+])NCCCOCC ZINC000849017999 588437924 /nfs/dbraw/zinc/43/79/24/588437924.db2.gz QTAGPCDTNMWUPE-UHFFFAOYSA-N 1 0 227.308 0.177 20 30 BCEDRO CNC(NC[C@@H]1CCCN(C(C)=O)C1)=[NH+]C ZINC000849024563 588439983 /nfs/dbraw/zinc/43/99/83/588439983.db2.gz MUSSDWDYYYKESD-JTQLQIEISA-N 1 0 226.324 0.040 20 30 BCEDRO CCNC(NCc1ncnn1CC)=[NH+]CC ZINC000849025213 588440268 /nfs/dbraw/zinc/44/02/68/588440268.db2.gz UDZMTQMGWACKIK-UHFFFAOYSA-N 1 0 224.312 0.373 20 30 BCEDRO CN(C)C(=[NH+]CC1([S@@](C)=O)CC1)N(C)C ZINC000849026762 588441022 /nfs/dbraw/zinc/44/10/22/588441022.db2.gz SKLRRBKUWWVKSC-OAHLLOKOSA-N 1 0 231.365 0.377 20 30 BCEDRO C[NH+]=C(NCCc1nnc(C)s1)NC1CC1 ZINC000849029200 588441822 /nfs/dbraw/zinc/44/18/22/588441822.db2.gz KLFGDZWMMOMKRO-UHFFFAOYSA-N 1 0 239.348 0.716 20 30 BCEDRO C[NH+]=C(NCC(C)(C)COC)NC1CC1 ZINC000849030011 588442365 /nfs/dbraw/zinc/44/23/65/588442365.db2.gz CMYDCBILBWUBAO-UHFFFAOYSA-N 1 0 213.325 0.986 20 30 BCEDRO C[NH+]=C(NC[C@@H](OC)C1CC1)NC1CC1 ZINC000849033737 588443742 /nfs/dbraw/zinc/44/37/42/588443742.db2.gz XQTBXFAPEZLBQU-SNVBAGLBSA-N 1 0 211.309 0.739 20 30 BCEDRO CCNC(NCC[C@@](C)(O)COC)=[NH+]CC ZINC000849034268 588444347 /nfs/dbraw/zinc/44/43/47/588444347.db2.gz PRUBSXSZZORZAY-LLVKDONJSA-N 1 0 231.340 0.349 20 30 BCEDRO C[C@@H](CCCO)C[NH+]=C(N(C)C)N(C)C ZINC000849035352 588444758 /nfs/dbraw/zinc/44/47/58/588444758.db2.gz DOFTWJIOOLDLIO-JTQLQIEISA-N 1 0 215.341 0.874 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CCOC[C@@H]1OC ZINC000849035320 588444796 /nfs/dbraw/zinc/44/47/96/588444796.db2.gz CPLCNEDXDNZCGW-UWVGGRQHSA-N 1 0 227.308 0.338 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCCC2(O)CCC2)N1 ZINC000849044091 588449134 /nfs/dbraw/zinc/44/91/34/588449134.db2.gz SWRXWPYVOWYKOC-VIFPVBQESA-N 1 0 211.309 0.619 20 30 BCEDRO COCC1(CCNC2=[NH+]CCN2C)CC1 ZINC000849045037 588449689 /nfs/dbraw/zinc/44/96/89/588449689.db2.gz ANNSZQBMUOMWMD-UHFFFAOYSA-N 1 0 211.309 0.694 20 30 BCEDRO CNC(NCCc1cn2c(cccc2C)n1)=[NH+]C ZINC000849046493 588450254 /nfs/dbraw/zinc/45/02/54/588450254.db2.gz HRLFSXAGDFZASW-UHFFFAOYSA-N 1 0 245.330 0.980 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CC(=O)N(CC)C1 ZINC000849047788 588450604 /nfs/dbraw/zinc/45/06/04/588450604.db2.gz VUMYHWFIVXCODF-SNVBAGLBSA-N 1 0 238.335 0.545 20 30 BCEDRO C#CCOc1ccccc1CNC(N)=[NH2+] ZINC000849078859 588452152 /nfs/dbraw/zinc/45/21/52/588452152.db2.gz GWYIXFFGUXRBMO-UHFFFAOYSA-N 1 0 203.245 0.682 20 30 BCEDRO C=C[C@@](C)(O)c1cn(CCCCC[NH3+])nn1 ZINC000849144986 588455376 /nfs/dbraw/zinc/45/53/76/588455376.db2.gz PHOSSCGGZDDVJU-LLVKDONJSA-N 1 0 224.308 0.801 20 30 BCEDRO CNC(NC[C@@H](O)c1ccccc1C)=[NH+]C ZINC000849214498 588461815 /nfs/dbraw/zinc/46/18/15/588461815.db2.gz HNUTWGLLQSOFMN-LLVKDONJSA-N 1 0 221.304 0.823 20 30 BCEDRO N#Cc1ccc(CNC2=[NH+]CCCCN2)nc1 ZINC000849217797 588462520 /nfs/dbraw/zinc/46/25/20/588462520.db2.gz PGWXKQJXHFMIJC-UHFFFAOYSA-N 1 0 229.287 0.782 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCn2nccc21 ZINC000850429264 588545835 /nfs/dbraw/zinc/54/58/35/588545835.db2.gz AUJGAPCVKDYHJN-LLVKDONJSA-N 1 0 246.314 0.447 20 30 BCEDRO C#CCSCCNC(=O)N[C@H](C)C[NH2+]C ZINC000851656700 588613129 /nfs/dbraw/zinc/61/31/29/588613129.db2.gz OKRMMKPTMDGSRW-SECBINFHSA-N 1 0 229.349 0.260 20 30 BCEDRO C#CCCCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851657743 588613196 /nfs/dbraw/zinc/61/31/96/588613196.db2.gz LOPNSDQLFSSJPL-UHFFFAOYSA-N 1 0 235.331 0.841 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N[C@@H](C)C[NH2+]C ZINC000851679257 588614399 /nfs/dbraw/zinc/61/43/99/588614399.db2.gz BOSYYPWFLRCWCJ-UWVGGRQHSA-N 1 0 211.309 0.695 20 30 BCEDRO C#CCOCC[NH+]1CCC(C(=O)OC)CC1 ZINC000851720782 588617200 /nfs/dbraw/zinc/61/72/00/588617200.db2.gz SXJITOKKDSYNIE-UHFFFAOYSA-N 1 0 225.288 0.521 20 30 BCEDRO C#CCOCC[N@@H+](CC)CC(=O)N(C)C ZINC000851726969 588617963 /nfs/dbraw/zinc/61/79/63/588617963.db2.gz YJUSBYGKDKRGHH-UHFFFAOYSA-N 1 0 212.293 0.046 20 30 BCEDRO C#CCOCC[NH+]1CCC(CNC(C)=O)CC1 ZINC000851734086 588620145 /nfs/dbraw/zinc/62/01/45/588620145.db2.gz AJDGCCNBBHCEKT-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCOCC[N@H+]1CCCC[C@@H]1CCO ZINC000851752098 588623480 /nfs/dbraw/zinc/62/34/80/588623480.db2.gz YYZUVXSKPHLWMX-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](CCO)C1 ZINC000851753776 588623823 /nfs/dbraw/zinc/62/38/23/588623823.db2.gz ZKCCHDNLJBFNLI-GFCCVEGCSA-N 1 0 211.305 0.731 20 30 BCEDRO C#CCOCC[NH+]1CCC(OCCOC)CC1 ZINC000851776312 588626266 /nfs/dbraw/zinc/62/62/66/588626266.db2.gz NLAZWMZWAZNNPR-UHFFFAOYSA-N 1 0 241.331 0.764 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H](OC)[C@H]1CCOC1 ZINC000851793677 588629474 /nfs/dbraw/zinc/62/94/74/588629474.db2.gz GWJLNMGISGVHCV-QWHCGFSZSA-N 1 0 221.300 0.606 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851799344 588630200 /nfs/dbraw/zinc/63/02/00/588630200.db2.gz OHFNBUXFQMDXNZ-AWEZNQCLSA-N 1 0 246.310 0.315 20 30 BCEDRO C#CCN(CC)CC(=O)Nc1cnccn1 ZINC000851800038 588630390 /nfs/dbraw/zinc/63/03/90/588630390.db2.gz WLTUZEXTEQBKNO-UHFFFAOYSA-N 1 0 218.260 0.370 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](OC)[C@@H]1CCOC1 ZINC000851798865 588630443 /nfs/dbraw/zinc/63/04/43/588630443.db2.gz ISQIVSAMOSLMTP-VXGBXAGGSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CCOCC[NH2+][C@](C)(C(N)=O)c1ccccc1 ZINC000851834869 588633966 /nfs/dbraw/zinc/63/39/66/588633966.db2.gz XBANVTIASXAVSQ-AWEZNQCLSA-N 1 0 246.310 0.627 20 30 BCEDRO C#CCOCCN1CC[NH+](C(C)(C)CO)CC1 ZINC000851843778 588634626 /nfs/dbraw/zinc/63/46/26/588634626.db2.gz JCVQTCZOPOLWGO-UHFFFAOYSA-N 1 0 240.347 0.025 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H]1CC(=O)OC ZINC000851859136 588635628 /nfs/dbraw/zinc/63/56/28/588635628.db2.gz KBTNWHXWCMYJDB-LLVKDONJSA-N 1 0 225.288 0.664 20 30 BCEDRO C#CCOCC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000851864728 588636085 /nfs/dbraw/zinc/63/60/85/588636085.db2.gz JDHLXQFXALNNAW-CYBMUJFWSA-N 1 0 248.330 0.640 20 30 BCEDRO C#CCOCC[N@H+]1CCSC[C@@H]1CO ZINC000851883328 588639533 /nfs/dbraw/zinc/63/95/33/588639533.db2.gz FAOSTTJNURPKKK-JTQLQIEISA-N 1 0 215.318 0.046 20 30 BCEDRO C#CCOCC[N@@H+](C)CCNC(=O)C(C)C ZINC000851885577 588639794 /nfs/dbraw/zinc/63/97/94/588639794.db2.gz JJNFIGAYINKABC-UHFFFAOYSA-N 1 0 226.320 0.340 20 30 BCEDRO C#CCOCC[N@@H+](C)CCc1cnccn1 ZINC000851890376 588640862 /nfs/dbraw/zinc/64/08/62/588640862.db2.gz XEXZWAVHASKXLI-UHFFFAOYSA-N 1 0 219.288 0.601 20 30 BCEDRO C#CCOCC[NH2+][C@H](CO)c1ccccc1OC ZINC000851917558 588643327 /nfs/dbraw/zinc/64/33/27/588643327.db2.gz HTETUMGQBWUYEJ-CYBMUJFWSA-N 1 0 249.310 0.968 20 30 BCEDRO C#CCOCC[NH+]1CCC2(COC(=O)N2)CC1 ZINC000851923789 588644298 /nfs/dbraw/zinc/64/42/98/588644298.db2.gz UPLTZSBUJPNMOK-UHFFFAOYSA-N 1 0 238.287 0.211 20 30 BCEDRO C#CCOCC[NH2+][C@H](CC(=O)OC)C1CC1 ZINC000851926793 588644717 /nfs/dbraw/zinc/64/47/17/588644717.db2.gz BHNJQRHLWATBQG-LLVKDONJSA-N 1 0 225.288 0.568 20 30 BCEDRO C=C(Cl)CN[C@H](CO)c1cnn(C)c1 ZINC000851933687 588644850 /nfs/dbraw/zinc/64/48/50/588644850.db2.gz TWVTXLZYHBWNTH-SECBINFHSA-N 1 0 215.684 0.796 20 30 BCEDRO C#CCOCCN[C@H](C(=O)OC)[C@@H](C)CC ZINC000851929421 588644908 /nfs/dbraw/zinc/64/49/08/588644908.db2.gz YWPMYPYUDXLLKL-QWRGUYRKSA-N 1 0 227.304 0.814 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000851934136 588645604 /nfs/dbraw/zinc/64/56/04/588645604.db2.gz ZFZHSYNOAQUAIT-WDEREUQCSA-N 1 0 224.304 0.270 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)c1ccccn1)[C@@H]1CCCO1 ZINC000851949600 588646892 /nfs/dbraw/zinc/64/68/92/588646892.db2.gz GPOBDZODDTVJPW-YUTCNCBUSA-N 1 0 246.310 0.885 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](COC)OC)[C@@H]1CCCO1 ZINC000851951099 588646911 /nfs/dbraw/zinc/64/69/11/588646911.db2.gz UUAMXFKKSNLJPO-WOPDTQHZSA-N 1 0 227.304 0.418 20 30 BCEDRO C#CCOCCN1CC[C@H](C)C[C@H]1C(=O)OC ZINC000851950141 588646953 /nfs/dbraw/zinc/64/69/53/588646953.db2.gz MJYKICIKYFHVHL-RYUDHWBXSA-N 1 0 239.315 0.910 20 30 BCEDRO C#C[C@H]([NH2+]CCC(OC)OC)[C@H]1CCCO1 ZINC000851951094 588646973 /nfs/dbraw/zinc/64/69/73/588646973.db2.gz UTPNXIZOLIQSLN-WDEREUQCSA-N 1 0 227.304 0.766 20 30 BCEDRO C#CCOCC[N@@H+](CC(C)(C)O)C1CC1 ZINC000851955718 588647486 /nfs/dbraw/zinc/64/74/86/588647486.db2.gz JKEQZMMCLBURFF-UHFFFAOYSA-N 1 0 211.305 0.872 20 30 BCEDRO C=CC[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851953741 588647537 /nfs/dbraw/zinc/64/75/37/588647537.db2.gz FAKTUFFXQJROGN-ZDUSSCGKSA-N 1 0 234.299 0.477 20 30 BCEDRO C#CCOCCN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000851955082 588647612 /nfs/dbraw/zinc/64/76/12/588647612.db2.gz ZUZGFZSWXXXUTM-OLZOCXBDSA-N 1 0 240.347 0.023 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1CCOC[C@H]1OCC ZINC000851952069 588647680 /nfs/dbraw/zinc/64/76/80/588647680.db2.gz HTXYQKQKDOMXOJ-VXGBXAGGSA-N 1 0 227.304 0.420 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000851956503 588647742 /nfs/dbraw/zinc/64/77/42/588647742.db2.gz GONNBTSHJRIUQC-GHMZBOCLSA-N 1 0 224.304 0.222 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000851956505 588647903 /nfs/dbraw/zinc/64/79/03/588647903.db2.gz GONNBTSHJRIUQC-QWRGUYRKSA-N 1 0 224.304 0.222 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000851956506 588648141 /nfs/dbraw/zinc/64/81/41/588648141.db2.gz GONNBTSHJRIUQC-WDEREUQCSA-N 1 0 224.304 0.222 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000851970713 588649821 /nfs/dbraw/zinc/64/98/21/588649821.db2.gz JBJBJCQMTCDEEY-NWDGAFQWSA-N 1 0 211.305 0.993 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)CCOC(F)F)C1=O ZINC000852007513 588654654 /nfs/dbraw/zinc/65/46/54/588654654.db2.gz OBCXRBDMTWHSSW-VIFPVBQESA-N 1 0 248.273 0.944 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1CCCN(C)C1=O ZINC000852101815 588661075 /nfs/dbraw/zinc/66/10/75/588661075.db2.gz UKCAELBZNJXSSM-PWSUYJOCSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCOCC[N@H+]1CCN(C)C[C@@H]1CC ZINC000852093378 588661186 /nfs/dbraw/zinc/66/11/86/588661186.db2.gz IWGGEEXOYNJWQQ-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NC(=O)NCC ZINC000852097043 588662274 /nfs/dbraw/zinc/66/22/74/588662274.db2.gz JQEGJAZOQUAUCS-LLVKDONJSA-N 1 0 225.292 0.224 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000852098170 588662486 /nfs/dbraw/zinc/66/24/86/588662486.db2.gz GXQUKJMDWNXFFO-AAEUAGOBSA-N 1 0 238.331 0.673 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)NCC(=O)OC ZINC000852102143 588663093 /nfs/dbraw/zinc/66/30/93/588663093.db2.gz WHLNQKLHGFXKJQ-SKDRFNHKSA-N 1 0 240.303 0.056 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@](C)(O)C(=O)OCC ZINC000852101502 588663183 /nfs/dbraw/zinc/66/31/83/588663183.db2.gz QAVJJJCUWJPGOT-RYUDHWBXSA-N 1 0 227.304 0.692 20 30 BCEDRO C#CCOCC[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000852172190 588669135 /nfs/dbraw/zinc/66/91/35/588669135.db2.gz GKIBPBABZNVANZ-RYUDHWBXSA-N 1 0 227.304 0.013 20 30 BCEDRO C#CCOCC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000852191474 588671036 /nfs/dbraw/zinc/67/10/36/588671036.db2.gz YIHULIIQXGPCKN-LBPRGKRZSA-N 1 0 234.303 0.565 20 30 BCEDRO CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000852205582 588671614 /nfs/dbraw/zinc/67/16/14/588671614.db2.gz PBVKDUDBWWLUIU-IJLUTSLNSA-N 1 0 224.304 0.904 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000852319469 588677906 /nfs/dbraw/zinc/67/79/06/588677906.db2.gz NJJUQRDUGYQIBV-VHSXEESVSA-N 1 0 235.287 0.417 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1C=CCC1 ZINC000852359115 588679888 /nfs/dbraw/zinc/67/98/88/588679888.db2.gz COUMRAODKOGNTP-LBPRGKRZSA-N 1 0 235.331 0.959 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NCCC=C ZINC000852357451 588680052 /nfs/dbraw/zinc/68/00/52/588680052.db2.gz CACZIFBLNSXIGO-UHFFFAOYSA-N 1 0 223.320 0.817 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1C=CCC1 ZINC000852359114 588680069 /nfs/dbraw/zinc/68/00/69/588680069.db2.gz COUMRAODKOGNTP-GFCCVEGCSA-N 1 0 235.331 0.959 20 30 BCEDRO N#CCCC[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852433134 588682239 /nfs/dbraw/zinc/68/22/39/588682239.db2.gz SQEQQHIJFYQZFF-SNVBAGLBSA-N 1 0 223.276 0.817 20 30 BCEDRO C#CCOCC[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000852500271 588685972 /nfs/dbraw/zinc/68/59/72/588685972.db2.gz JVJLWGFKJUUERZ-GDNZZTSVSA-N 1 0 211.305 0.585 20 30 BCEDRO C#CCOCC[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000852500273 588686067 /nfs/dbraw/zinc/68/60/67/588686067.db2.gz JVJLWGFKJUUERZ-QWRGUYRKSA-N 1 0 211.305 0.585 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000852536500 588689365 /nfs/dbraw/zinc/68/93/65/588689365.db2.gz VZSIRULPXARVKC-WCQYABFASA-N 1 0 236.315 0.094 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)CCN(C)C(=O)OC ZINC000852570312 588691408 /nfs/dbraw/zinc/69/14/08/588691408.db2.gz VUOAWBLLKXZKPB-JTQLQIEISA-N 1 0 230.308 0.553 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852664479 588694668 /nfs/dbraw/zinc/69/46/68/588694668.db2.gz HRCZLDUXNYIVJZ-VXGBXAGGSA-N 1 0 236.315 0.094 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@@H]1CCC(=O)NC1=O ZINC000852687388 588695964 /nfs/dbraw/zinc/69/59/64/588695964.db2.gz JWXAMKGKDJGLHD-OUAUKWLOSA-N 1 0 234.299 0.975 20 30 BCEDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCO[C@H](C)C#N)C1 ZINC000852695845 588696125 /nfs/dbraw/zinc/69/61/25/588696125.db2.gz HCNDSPCGMPFFAI-MXWKQRLJSA-N 1 0 240.303 0.798 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000852695277 588696344 /nfs/dbraw/zinc/69/63/44/588696344.db2.gz DTZAEKNHJFDYBO-PHIMTYICSA-N 1 0 225.288 0.520 20 30 BCEDRO C[C@H](C#N)OCCN1CCc2nccnc2C1 ZINC000852698814 588696630 /nfs/dbraw/zinc/69/66/30/588696630.db2.gz ZRHRKHPRJKFUDD-SNVBAGLBSA-N 1 0 232.287 0.763 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H]1COC(C)(C)O1 ZINC000852714176 588697625 /nfs/dbraw/zinc/69/76/25/588697625.db2.gz CSBMOULHWPABHD-RKDXNWHRSA-N 1 0 201.266 0.274 20 30 BCEDRO C#CCCN(CCOC)Cc1c[nH]cn1 ZINC000852748918 588699771 /nfs/dbraw/zinc/69/97/71/588699771.db2.gz LBCXJZCAYHJZNN-UHFFFAOYSA-N 1 0 207.277 0.881 20 30 BCEDRO C=CCNC(=O)[C@@H]1[NH2+]CC12CCOCC2 ZINC000852773758 588701418 /nfs/dbraw/zinc/70/14/18/588701418.db2.gz DZSZEDHPMLKJCD-VIFPVBQESA-N 1 0 210.277 0.057 20 30 BCEDRO CC[C@@H](COC)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852808421 588704828 /nfs/dbraw/zinc/70/48/28/588704828.db2.gz WIHOBWSCRNINDJ-LBPRGKRZSA-N 1 0 238.331 0.531 20 30 BCEDRO CN(C(=O)C#CC1CC[NH2+]CC1)C1CC1 ZINC000852814292 588705121 /nfs/dbraw/zinc/70/51/21/588705121.db2.gz LBTBFALAMIONBO-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO CO[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852843001 588705656 /nfs/dbraw/zinc/70/56/56/588705656.db2.gz NLVYWHNOIFUBAM-GFCCVEGCSA-N 1 0 236.315 0.237 20 30 BCEDRO C[NH2+]CCN(C)C(=O)c1ccc(C#N)c(OC)c1 ZINC000852826367 588706121 /nfs/dbraw/zinc/70/61/21/588706121.db2.gz GJPSIUVGAQOYRZ-UHFFFAOYSA-N 1 0 247.298 0.858 20 30 BCEDRO CC1(C)CC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852828530 588706383 /nfs/dbraw/zinc/70/63/83/588706383.db2.gz YJAUEGXOYVNQHP-OPRDCNLKSA-N 1 0 221.304 0.650 20 30 BCEDRO C/C(=C\C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)c1ccco1 ZINC000852827151 588706393 /nfs/dbraw/zinc/70/63/93/588706393.db2.gz CEJBOEYEZTZSKI-WJHWTWHCSA-N 1 0 245.282 0.911 20 30 BCEDRO C[C@H](Cc1ccco1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852827524 588706459 /nfs/dbraw/zinc/70/64/59/588706459.db2.gz KBHGPZXLKMLJFG-CKYFFXLPSA-N 1 0 247.298 0.686 20 30 BCEDRO COc1cc(C(=O)NC[C@@H](C)[NH3+])ccc1C#N ZINC000852829940 588706525 /nfs/dbraw/zinc/70/65/25/588706525.db2.gz DVFBHGCSSMSDLW-MRVPVSSYSA-N 1 0 233.271 0.644 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCc1nccs1 ZINC000852860707 588709061 /nfs/dbraw/zinc/70/90/61/588709061.db2.gz IKCICFZHITXHHP-UHFFFAOYSA-N 1 0 249.339 0.762 20 30 BCEDRO CC1(C)OC[C@@H]2C[C@@]21C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852875791 588710020 /nfs/dbraw/zinc/71/00/20/588710020.db2.gz PQYUUOLEVUNJQQ-QYTUQVAYSA-N 1 0 249.314 0.029 20 30 BCEDRO CC(C)n1nccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852875813 588710267 /nfs/dbraw/zinc/71/02/67/588710267.db2.gz QJAGGSWTEOMFCZ-VHSXEESVSA-N 1 0 247.302 0.305 20 30 BCEDRO C=CCCCCCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852896757 588712052 /nfs/dbraw/zinc/71/20/52/588712052.db2.gz GYYOETFQEWZFFQ-SNVBAGLBSA-N 1 0 239.319 0.953 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H]1C=CCC1 ZINC000852903072 588712689 /nfs/dbraw/zinc/71/26/89/588712689.db2.gz UCNTZEZPUQXJJA-LBPRGKRZSA-N 1 0 218.300 0.824 20 30 BCEDRO CC(F)(F)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852913353 588712887 /nfs/dbraw/zinc/71/28/87/588712887.db2.gz QSWZDZYLZLMFHM-UHFFFAOYSA-N 1 0 230.258 0.761 20 30 BCEDRO C#CCOCCC(=O)OCC[NH+]1CCC1 ZINC000861389036 589163081 /nfs/dbraw/zinc/16/30/81/589163081.db2.gz WBZCKGNJLFRMAR-UHFFFAOYSA-N 1 0 211.261 0.275 20 30 BCEDRO C#CCSCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861589646 589168948 /nfs/dbraw/zinc/16/89/48/589168948.db2.gz JOZLFEMFTCFKQN-SECBINFHSA-N 1 0 229.349 0.341 20 30 BCEDRO C#CCSCCNC(=O)N(CC)CC[NH3+] ZINC000861590453 589169143 /nfs/dbraw/zinc/16/91/43/589169143.db2.gz RVBZLKXQTFNHMR-UHFFFAOYSA-N 1 0 229.349 0.343 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861617985 589170666 /nfs/dbraw/zinc/17/06/66/589170666.db2.gz OCLDDWBTCUWOEI-WDEREUQCSA-N 1 0 239.319 0.076 20 30 BCEDRO C#C[C@H](NC(=O)N(C)C[C@@H](C)[NH3+])[C@@H]1CCCO1 ZINC000861618358 589170781 /nfs/dbraw/zinc/17/07/81/589170781.db2.gz RUHMCYPVOUYCCJ-VWYCJHECSA-N 1 0 239.319 0.156 20 30 BCEDRO C[C@H]1CC[C@@H](NC(=O)NCCC#N)C[NH2+]1 ZINC000861628194 589170905 /nfs/dbraw/zinc/17/09/05/589170905.db2.gz KHPAHFKWNMBCEF-DTWKUNHWSA-N 1 0 210.281 0.340 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861624041 589171042 /nfs/dbraw/zinc/17/10/42/589171042.db2.gz NQDVIGJOQKRJCE-LLVKDONJSA-N 1 0 235.331 0.984 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861624042 589171060 /nfs/dbraw/zinc/17/10/60/589171060.db2.gz NQDVIGJOQKRJCE-NSHDSACASA-N 1 0 235.331 0.984 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000861632532 589171380 /nfs/dbraw/zinc/17/13/80/589171380.db2.gz GHTPKKQEEKWECJ-GARJFASQSA-N 1 0 223.320 0.694 20 30 BCEDRO N#Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C2)nc1 ZINC000861633243 589171454 /nfs/dbraw/zinc/17/14/54/589171454.db2.gz LTJKYCVOVMETPB-LLVKDONJSA-N 1 0 245.286 0.114 20 30 BCEDRO C=CCONC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861636173 589171628 /nfs/dbraw/zinc/17/16/28/589171628.db2.gz GZGCANZZYMGQNT-BDAKNGLRSA-N 1 0 213.281 0.544 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861636176 589171736 /nfs/dbraw/zinc/17/17/36/589171736.db2.gz GZGCANZZYMGQNT-RKDXNWHRSA-N 1 0 213.281 0.544 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861686743 589174317 /nfs/dbraw/zinc/17/43/17/589174317.db2.gz SADZBLWPFZUJFZ-ZJUUUORDSA-N 1 0 209.293 0.449 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861686296 589174465 /nfs/dbraw/zinc/17/44/65/589174465.db2.gz NJTWKEGADKSONK-STQMWFEESA-N 1 0 247.342 0.795 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861720190 589175934 /nfs/dbraw/zinc/17/59/34/589175934.db2.gz VFWNNCZZHWEZLG-QWHCGFSZSA-N 1 0 248.326 0.067 20 30 BCEDRO CCN(C(=O)C=NOC)C1CC[NH+](C)CC1 ZINC000861891215 589182099 /nfs/dbraw/zinc/18/20/99/589182099.db2.gz ULXACIARJKQDTQ-UHFFFAOYSA-N 1 0 227.308 0.561 20 30 BCEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)o1 ZINC000862546234 589219855 /nfs/dbraw/zinc/21/98/55/589219855.db2.gz JDFZPUNWIMUKBJ-KWQFWETISA-N 1 0 232.239 0.756 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@]12C[C@@H]1COC2(C)C ZINC000862689292 589232535 /nfs/dbraw/zinc/23/25/35/589232535.db2.gz MNDBCAZKBPCSMX-MFKMUULPSA-N 1 0 238.331 0.788 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@H]1CCCCO1 ZINC000863105328 589256637 /nfs/dbraw/zinc/25/66/37/589256637.db2.gz MTTBHOBKYFDYNC-WCBMZHEXSA-N 1 0 224.308 0.869 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1nc(C)cs1 ZINC000863120331 589260231 /nfs/dbraw/zinc/26/02/31/589260231.db2.gz NRBNODHSDMFAHM-UHFFFAOYSA-N 1 0 223.305 0.724 20 30 BCEDRO CN(C)c1ncc(C=[NH+]NCC(C)(C)O)n1C ZINC000863139577 589262948 /nfs/dbraw/zinc/26/29/48/589262948.db2.gz XWRYGJPSEDTQNQ-UHFFFAOYSA-N 1 0 239.323 0.181 20 30 BCEDRO C=C(C)CNC(=S)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863237048 589273659 /nfs/dbraw/zinc/27/36/59/589273659.db2.gz WISIYFADEPZKGT-SNVBAGLBSA-N 1 0 243.376 0.093 20 30 BCEDRO C=CCCCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863322555 589279989 /nfs/dbraw/zinc/27/99/89/589279989.db2.gz YFKKNUYZTOHVAW-LLVKDONJSA-N 1 0 226.320 0.526 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](CCC)OCC ZINC000863565738 589299269 /nfs/dbraw/zinc/29/92/69/589299269.db2.gz SQIBXHWXDOHLQF-LBPRGKRZSA-N 1 0 240.347 0.921 20 30 BCEDRO C=CCN1CC[C@H](N(C)C[C@H](C)[NH3+])C1=O ZINC000863567332 589299288 /nfs/dbraw/zinc/29/92/88/589299288.db2.gz CJYYDUYMQVEVNF-UWVGGRQHSA-N 1 0 211.309 0.052 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863561788 589299518 /nfs/dbraw/zinc/29/95/18/589299518.db2.gz HHEMADNXQDIJLK-NWDGAFQWSA-N 1 0 236.315 0.405 20 30 BCEDRO C#CCOc1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000863584742 589301881 /nfs/dbraw/zinc/30/18/81/589301881.db2.gz IKOBBUYZOSLCJM-LBPRGKRZSA-N 1 0 244.294 0.872 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000863589078 589302515 /nfs/dbraw/zinc/30/25/15/589302515.db2.gz JKGUEHUNPISNKG-VXGBXAGGSA-N 1 0 238.331 0.915 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000863589291 589302584 /nfs/dbraw/zinc/30/25/84/589302584.db2.gz LYFXTHCMJBNDAC-QWRGUYRKSA-N 1 0 247.360 0.438 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]CC1(O)CCC1 ZINC000863588842 589302681 /nfs/dbraw/zinc/30/26/81/589302681.db2.gz HUDDQTVBRFAMHK-NSHDSACASA-N 1 0 211.305 0.919 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](O)CSC ZINC000863588582 589302699 /nfs/dbraw/zinc/30/26/99/589302699.db2.gz CCQGHGPEPBMTNL-GHMZBOCLSA-N 1 0 231.361 0.728 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](O)COC ZINC000863589406 589302771 /nfs/dbraw/zinc/30/27/71/589302771.db2.gz ODDSLLQERKYWBX-MNOVXSKESA-N 1 0 215.293 0.012 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]CCS(=O)(=O)CC ZINC000863589214 589302812 /nfs/dbraw/zinc/30/28/12/589302812.db2.gz KOEGCGQZMRJUCN-NSHDSACASA-N 1 0 247.360 0.439 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)C[N@@H+](C)CCC ZINC000863788362 589318252 /nfs/dbraw/zinc/31/82/52/589318252.db2.gz NYIHANDAOJDWLJ-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C(=C)C[NH+](C)C ZINC000863805147 589320075 /nfs/dbraw/zinc/32/00/75/589320075.db2.gz VSFLCDHKERVQCM-NSHDSACASA-N 1 0 224.304 0.259 20 30 BCEDRO C=CCNC(NC[C@H](O)C(F)(F)F)=[NH+]CC ZINC000864236630 589348466 /nfs/dbraw/zinc/34/84/66/589348466.db2.gz RVSGJVUMHWLITM-ZETCQYMHSA-N 1 0 239.241 0.651 20 30 BCEDRO CNC(NC[C@H]1c2ccccc2C(=O)N1C)=[NH+]C ZINC000864357526 589354940 /nfs/dbraw/zinc/35/49/40/589354940.db2.gz ZDJRGWTWNSATAB-NSHDSACASA-N 1 0 246.314 0.608 20 30 BCEDRO CNC(NC[C@H]1CCCN1CC(F)F)=[NH+]C ZINC000864356940 589355267 /nfs/dbraw/zinc/35/52/67/589355267.db2.gz RCVKHTOXVJQMFP-MRVPVSSYSA-N 1 0 234.294 0.511 20 30 BCEDRO CNC(NC[C@@H]1c2ccccc2C(=O)N1C)=[NH+]C ZINC000864357525 589355273 /nfs/dbraw/zinc/35/52/73/589355273.db2.gz ZDJRGWTWNSATAB-LLVKDONJSA-N 1 0 246.314 0.608 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])NCCC1CC1 ZINC000864463037 589369434 /nfs/dbraw/zinc/36/94/34/589369434.db2.gz QHWJFDGYVGKCHL-UHFFFAOYSA-N 1 0 224.308 0.203 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864463305 589369866 /nfs/dbraw/zinc/36/98/66/589369866.db2.gz VDQAHJUIBDBJSK-GUBZILKMSA-N 1 0 211.309 0.693 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])N[C@H]2C[C@H]2C)nn1 ZINC000864470155 589372831 /nfs/dbraw/zinc/37/28/31/589372831.db2.gz WEBQZTHKARAOQR-SCZZXKLOSA-N 1 0 234.307 0.486 20 30 BCEDRO C=C[C@@](C)(O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000864641870 589386083 /nfs/dbraw/zinc/38/60/83/589386083.db2.gz KZBLJKCZGZEDDD-MWLCHTKSSA-N 1 0 222.292 0.424 20 30 BCEDRO C=C[C@@](C)(O)c1cn(CC[NH+]2CCCC2)nn1 ZINC000864651964 589388219 /nfs/dbraw/zinc/38/82/19/589388219.db2.gz GDEIWCJEQPHKDW-GFCCVEGCSA-N 1 0 236.319 0.767 20 30 BCEDRO C#CCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000865342823 589422654 /nfs/dbraw/zinc/42/26/54/589422654.db2.gz AQBPWVBOACJRPS-UHFFFAOYSA-N 1 0 207.277 0.285 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CCC(C)(C)C[NH2+]1 ZINC000865343558 589422710 /nfs/dbraw/zinc/42/27/10/589422710.db2.gz OWLMDLTZHVEZKF-JTQLQIEISA-N 1 0 223.320 0.697 20 30 BCEDRO C#CCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000865343090 589422844 /nfs/dbraw/zinc/42/28/44/589422844.db2.gz HUSBGASYXWCUMI-JGPRNRPPSA-N 1 0 221.304 0.449 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865632749 589452498 /nfs/dbraw/zinc/45/24/98/589452498.db2.gz SKASOPPKDXPNHS-LLVKDONJSA-N 1 0 232.287 0.605 20 30 BCEDRO C#CCOc1ccc(C[NH2+][C@H]2COC[C@H]2O)cc1 ZINC000865666190 589455101 /nfs/dbraw/zinc/45/51/01/589455101.db2.gz BOULRLLAOCWEAP-UONOGXRCSA-N 1 0 247.294 0.548 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1coc(C#N)c1 ZINC000865808617 589462687 /nfs/dbraw/zinc/46/26/87/589462687.db2.gz QAVAYNHMTDFGDH-JTQLQIEISA-N 1 0 233.271 0.975 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C#N)nn3)CC[C@H]21 ZINC000866205499 589480239 /nfs/dbraw/zinc/48/02/39/589480239.db2.gz MSRWRDOLOZKEHL-ZYHUDNBSSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3ccnc(C#N)n3)CC[C@@H]21 ZINC000866209680 589480371 /nfs/dbraw/zinc/48/03/71/589480371.db2.gz UYUNZYTYGJKKAQ-QWRGUYRKSA-N 1 0 243.314 0.879 20 30 BCEDRO C#Cc1cnc(N2CC[C@@H]3[C@H](CC[N@H+]3C)C2)nc1 ZINC000866210100 589480620 /nfs/dbraw/zinc/48/06/20/589480620.db2.gz XZERUCAEVICNGF-CHWSQXEVSA-N 1 0 242.326 0.988 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3cnc(C#N)cn3)CC[C@@H]21 ZINC000866207179 589480704 /nfs/dbraw/zinc/48/07/04/589480704.db2.gz VPTGMAYWKINKAM-JQWIXIFHSA-N 1 0 243.314 0.879 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866613303 589505007 /nfs/dbraw/zinc/50/50/07/589505007.db2.gz ARSYNPNDDKQBFE-RNCFNFMXSA-N 1 0 243.310 0.879 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866827789 589519766 /nfs/dbraw/zinc/51/97/66/589519766.db2.gz SMJXTUGMFRXCPJ-WDEREUQCSA-N 1 0 244.360 0.719 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000867502049 589523384 /nfs/dbraw/zinc/52/33/84/589523384.db2.gz PLUYJZALLGDCFU-GARJFASQSA-N 1 0 208.305 0.855 20 30 BCEDRO N#Cc1cc(C(=O)N2CCC[C@@H]([NH3+])C2)co1 ZINC000867927603 589539787 /nfs/dbraw/zinc/53/97/87/589539787.db2.gz JXOUHLXINMTDKN-SECBINFHSA-N 1 0 219.244 0.715 20 30 BCEDRO N#CCc1ccsc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000867965225 589541806 /nfs/dbraw/zinc/54/18/06/589541806.db2.gz BOIPZPXWTANGIZ-SECBINFHSA-N 1 0 235.312 0.906 20 30 BCEDRO C[C@]1(C[NH3+])CCN(C(=O)c2coc(C#N)c2)C1 ZINC000867973333 589541942 /nfs/dbraw/zinc/54/19/42/589541942.db2.gz WZIYZYXCKRSKHS-GFCCVEGCSA-N 1 0 233.271 0.962 20 30 BCEDRO N#Cc1cc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)co1 ZINC000867975424 589541943 /nfs/dbraw/zinc/54/19/43/589541943.db2.gz UPJNPHSXWIIGFQ-IUCAKERBSA-N 1 0 237.234 0.581 20 30 BCEDRO N#Cc1cc(C(=O)N[C@H](C[NH3+])C(F)(F)F)co1 ZINC000867983085 589542223 /nfs/dbraw/zinc/54/22/23/589542223.db2.gz JSTDVGOFQRHPSX-SSDOTTSWSA-N 1 0 247.176 0.771 20 30 BCEDRO C[C@H](C[NH3+])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868038242 589545616 /nfs/dbraw/zinc/54/56/16/589545616.db2.gz OMNHWHCBERSGEA-RNCFNFMXSA-N 1 0 243.310 0.736 20 30 BCEDRO C[C@@H]([NH3+])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868037597 589545724 /nfs/dbraw/zinc/54/57/24/589545724.db2.gz GIYQPVQYMGEVAI-PELKAZGASA-N 1 0 229.283 0.489 20 30 BCEDRO C[NH2+]CCNC(=O)Nc1ccc(OC)c(C#N)c1 ZINC000868206757 589551685 /nfs/dbraw/zinc/55/16/85/589551685.db2.gz PKINLVIHJBRWGU-UHFFFAOYSA-N 1 0 248.286 0.908 20 30 BCEDRO COc1ccc(NC(=O)N(C)CC[NH3+])cc1C#N ZINC000868203885 589551697 /nfs/dbraw/zinc/55/16/97/589551697.db2.gz LOIXDFDOKMVXCG-UHFFFAOYSA-N 1 0 248.286 0.989 20 30 BCEDRO C#CCCNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868253622 589552865 /nfs/dbraw/zinc/55/28/65/589552865.db2.gz WJWDDQMVGMGSKO-NWDGAFQWSA-N 1 0 235.331 0.745 20 30 BCEDRO C=C(Br)CNC(=O)C[NH+](C)C ZINC000122193566 589561597 /nfs/dbraw/zinc/56/15/97/589561597.db2.gz MZKVOIPTHDWDKZ-UHFFFAOYSA-N 1 0 221.098 0.573 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868515333 589562021 /nfs/dbraw/zinc/56/20/21/589562021.db2.gz XMUOEPHMTSEKHO-QJPTWQEYSA-N 1 0 235.331 0.744 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H]1C(F)F ZINC000868605838 589567026 /nfs/dbraw/zinc/56/70/26/589567026.db2.gz JWZAKLDSALGYKP-MRVPVSSYSA-N 1 0 218.247 0.970 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)c1coc(C#N)c1 ZINC000869256332 589594627 /nfs/dbraw/zinc/59/46/27/589594627.db2.gz URANFDQJXUCKLE-UHFFFAOYSA-N 1 0 233.271 0.785 20 30 BCEDRO C#CC(=O)N(CCOC)CC1CC[NH+](C)CC1 ZINC000869770117 589629231 /nfs/dbraw/zinc/62/92/31/589629231.db2.gz ZKNFATNANKWZPK-UHFFFAOYSA-N 1 0 238.331 0.436 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CCC)CCO ZINC000869869256 589633597 /nfs/dbraw/zinc/63/35/97/589633597.db2.gz VQOHEMUFELLCEU-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)co1 ZINC000870913392 589696891 /nfs/dbraw/zinc/69/68/91/589696891.db2.gz UDLADJSKQYSTCR-ZDUSSCGKSA-N 1 0 245.282 0.977 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CC[NH2+]CC1CC1 ZINC000870916897 589696993 /nfs/dbraw/zinc/69/69/93/589696993.db2.gz NIMHEWULRUFBEI-UHFFFAOYSA-N 1 0 233.275 0.610 20 30 BCEDRO C[NH2+]CCCNC(=O)c1coc(C#N)c1 ZINC000870932170 589697811 /nfs/dbraw/zinc/69/78/11/589697811.db2.gz BICWQIHDQLZSDX-UHFFFAOYSA-N 1 0 207.233 0.491 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)c1coc(C#N)c1 ZINC000870934393 589698563 /nfs/dbraw/zinc/69/85/63/589698563.db2.gz MKWSERLQZUVIIX-ZETCQYMHSA-N 1 0 207.233 0.618 20 30 BCEDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2coc(C#N)c2)CCO1 ZINC000870938948 589699254 /nfs/dbraw/zinc/69/92/54/589699254.db2.gz WYYOVJUELDZSHN-KCJUWKMLSA-N 1 0 249.270 0.339 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)c1sccc1CC#N ZINC000870941521 589699698 /nfs/dbraw/zinc/69/96/98/589699698.db2.gz WUVYAOOLFLKHRY-SSDOTTSWSA-N 1 0 223.301 0.891 20 30 BCEDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1coc(C#N)c1 ZINC000870947696 589700668 /nfs/dbraw/zinc/70/06/68/589700668.db2.gz RWAFJQDYCHRTTK-RNFRBKRXSA-N 1 0 207.233 0.617 20 30 BCEDRO CN(C(=O)c1coc(C#N)c1)[C@H](C[NH3+])C1CC1 ZINC000870947335 589700822 /nfs/dbraw/zinc/70/08/22/589700822.db2.gz ZOOXQQRFBQMOCM-LLVKDONJSA-N 1 0 233.271 0.961 20 30 BCEDRO CC[C@H]([NH3+])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000871012668 589711282 /nfs/dbraw/zinc/71/12/82/589711282.db2.gz ZZUGWHVHRREGTB-OLZOCXBDSA-N 1 0 243.310 0.879 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871361111 589756389 /nfs/dbraw/zinc/75/63/89/589756389.db2.gz RZNURFADVPTRLF-AKJDGMEZSA-N 1 0 240.347 0.912 20 30 BCEDRO CNC(N[C@H]1C[C@H](C(=O)OC(C)(C)C)C1)=[NH+]C ZINC000871603228 589773242 /nfs/dbraw/zinc/77/32/42/589773242.db2.gz KCFAGJOFSZNKEC-KYZUINATSA-N 1 0 241.335 0.902 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000871926972 589833052 /nfs/dbraw/zinc/83/30/52/589833052.db2.gz LXAAXBDOROKFIP-UWVGGRQHSA-N 1 0 234.303 0.209 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H]1C[C@H](C)O ZINC000123895184 589850041 /nfs/dbraw/zinc/85/00/41/589850041.db2.gz KXLVXAKHSMBTGN-RYUDHWBXSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000871974697 589851076 /nfs/dbraw/zinc/85/10/76/589851076.db2.gz OEGLDGRUROGOLN-OLZOCXBDSA-N 1 0 225.332 0.854 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)C1 ZINC000872141094 589881434 /nfs/dbraw/zinc/88/14/34/589881434.db2.gz LKDNEXFEEDRORB-LNFKQOIKSA-N 1 0 210.277 0.418 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+][C@@H]2CCOC[C@H]2O)C1 ZINC000872141095 589881836 /nfs/dbraw/zinc/88/18/36/589881836.db2.gz LKDNEXFEEDRORB-UKKRHICBSA-N 1 0 210.277 0.418 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CC(C)(C)O)[C@@H]1CCCO1 ZINC000872206652 589892391 /nfs/dbraw/zinc/89/23/91/589892391.db2.gz ZIDPSYVSAHWXKB-WOPDTQHZSA-N 1 0 241.331 0.279 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CC(C)(C)O ZINC000872209348 589893587 /nfs/dbraw/zinc/89/35/87/589893587.db2.gz OSTZEKFNBLQKQP-MXWKQRLJSA-N 1 0 229.320 0.441 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872214078 589894663 /nfs/dbraw/zinc/89/46/63/589894663.db2.gz MRVRMCHYMOLNFZ-UWVGGRQHSA-N 1 0 217.309 0.035 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872216366 589895260 /nfs/dbraw/zinc/89/52/60/589895260.db2.gz SDESIAQMPVGNRP-MNOVXSKESA-N 1 0 229.320 0.136 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872216367 589895357 /nfs/dbraw/zinc/89/53/57/589895357.db2.gz SDESIAQMPVGNRP-QWRGUYRKSA-N 1 0 229.320 0.136 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCC[C@H]1F ZINC000872219421 589896680 /nfs/dbraw/zinc/89/66/80/589896680.db2.gz SABCWHPVJWFSSY-MNOVXSKESA-N 1 0 226.295 0.996 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CC[C@H](C#C)CC1 ZINC000872250093 589900117 /nfs/dbraw/zinc/90/01/17/589900117.db2.gz CLCRNYNKOFEKSX-JOCQHMNTSA-N 1 0 232.327 0.908 20 30 BCEDRO C#CCC[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872285233 589902448 /nfs/dbraw/zinc/90/24/48/589902448.db2.gz UMBOPQOMYMTDKB-UHFFFAOYSA-N 1 0 236.315 0.381 20 30 BCEDRO N#CCCNC(=O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872311532 589909479 /nfs/dbraw/zinc/90/94/79/589909479.db2.gz PLOJCROOZGNZJD-PWSUYJOCSA-N 1 0 237.303 0.317 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872316134 589910632 /nfs/dbraw/zinc/91/06/32/589910632.db2.gz HCEYNYDIERUPKY-YPMHNXCESA-N 1 0 236.315 0.427 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cc2n(n1)CCC2 ZINC000872341253 589914420 /nfs/dbraw/zinc/91/44/20/589914420.db2.gz JUUOBHGQJOWOGT-UHFFFAOYSA-N 1 0 206.253 0.036 20 30 BCEDRO C[C@H]1C(N=Nc2ncccn2)CC[N@@H+]1C ZINC000872341554 589915036 /nfs/dbraw/zinc/91/50/36/589915036.db2.gz TWIOVTICQFTFRM-QMMMGPOBSA-N 1 0 205.265 0.969 20 30 BCEDRO C[C@@H]1C(N=Nc2ncccn2)CC[N@@H+]1C ZINC000872341553 589915331 /nfs/dbraw/zinc/91/53/31/589915331.db2.gz TWIOVTICQFTFRM-MRVPVSSYSA-N 1 0 205.265 0.969 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]N[C@H](C)CO ZINC000872355062 589917122 /nfs/dbraw/zinc/91/71/22/589917122.db2.gz DBJHFIVNXGVFPV-MRVPVSSYSA-N 1 0 208.265 0.277 20 30 BCEDRO C[C@H]1CNC(NN=C2CCOC(C)(C)C2)=[NH+]1 ZINC000872363420 589920008 /nfs/dbraw/zinc/92/00/08/589920008.db2.gz DWOPEOQJTDUJCZ-QMMMGPOBSA-N 1 0 224.308 0.869 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cn(C3CC3)cn2)N1 ZINC000872365017 589920472 /nfs/dbraw/zinc/92/04/72/589920472.db2.gz ZNGHKJMHJVMASC-MRVPVSSYSA-N 1 0 232.291 0.489 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cn(C)cn1 ZINC000872364955 589920507 /nfs/dbraw/zinc/92/05/07/589920507.db2.gz XXFDKRBZXYEFKY-ZETCQYMHSA-N 1 0 220.280 0.081 20 30 BCEDRO COCCCN[NH+]=Cc1c(C)ccnc1N ZINC000872369767 589923048 /nfs/dbraw/zinc/92/30/48/589923048.db2.gz KKXCCCHEHACWIV-UHFFFAOYSA-N 1 0 222.292 0.932 20 30 BCEDRO CCn1ncn(N=CC2CC[NH+](C)CC2)c1=O ZINC000872377031 589926427 /nfs/dbraw/zinc/92/64/27/589926427.db2.gz QKMULWAKGNJIAO-UHFFFAOYSA-N 1 0 237.307 0.240 20 30 BCEDRO C[NH+]1CCC(C=NN2CCC[C@@H]2CO)CC1 ZINC000872385593 589929192 /nfs/dbraw/zinc/92/91/92/589929192.db2.gz JCSKMUWTAWHXAC-GFCCVEGCSA-N 1 0 225.336 0.771 20 30 BCEDRO F[C@H]1COc2ccccc2C1=NNC1=[NH+]CCN1 ZINC000872385771 589929490 /nfs/dbraw/zinc/92/94/90/589929490.db2.gz PIYLRDSLQHCDJH-VIFPVBQESA-N 1 0 248.261 0.670 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)C[NH+]1CCCC1 ZINC000874150876 590094326 /nfs/dbraw/zinc/09/43/26/590094326.db2.gz NAMKSDYSYRWVHL-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](C(C)(C)O)C1 ZINC000874875366 590151455 /nfs/dbraw/zinc/15/14/55/590151455.db2.gz YKOHVOLTZFOYLU-NSHDSACASA-N 1 0 240.347 0.724 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000875649700 590167686 /nfs/dbraw/zinc/16/76/86/590167686.db2.gz VJHPKNGTYICGDU-GHMZBOCLSA-N 1 0 239.319 0.840 20 30 BCEDRO C#CCNC(=O)c1cccc2c1CC[NH2+]C2 ZINC000125655263 590176600 /nfs/dbraw/zinc/17/66/00/590176600.db2.gz UGKRNQBBRDRACH-UHFFFAOYSA-N 1 0 214.268 0.695 20 30 BCEDRO C[NH2+][C@H]1CCN(C(=O)C#CC(C)(C)C)C1 ZINC000876504079 590204223 /nfs/dbraw/zinc/20/42/23/590204223.db2.gz IZIPPXVHXUCESU-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCOC ZINC000876546619 590207278 /nfs/dbraw/zinc/20/72/78/590207278.db2.gz NQSCWEDGLRDTQL-QMMMGPOBSA-N 1 0 220.700 0.609 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@H]1CCC[NH2+]1 ZINC000876522087 590207566 /nfs/dbraw/zinc/20/75/66/590207566.db2.gz HFWSAFLDRBLCMR-SNVBAGLBSA-N 1 0 208.305 0.904 20 30 BCEDRO O=C(C#CC1CC1)NCC[C@@H]1CC[NH2+]C1 ZINC000876525218 590208458 /nfs/dbraw/zinc/20/84/58/590208458.db2.gz GAMSYWPFTPGLCU-NSHDSACASA-N 1 0 206.289 0.516 20 30 BCEDRO CC(C)[C@@](C)(C[NH3+])NC(=O)C#CC1CC1 ZINC000876536898 590211035 /nfs/dbraw/zinc/21/10/35/590211035.db2.gz UJHOALCMTYBLMQ-GFCCVEGCSA-N 1 0 208.305 0.889 20 30 BCEDRO CN1CCN(C(=O)C#CC(C)(C)C)[C@H](C[NH3+])C1 ZINC000876542289 590212621 /nfs/dbraw/zinc/21/26/21/590212621.db2.gz NBAIVPQVWREGIQ-LLVKDONJSA-N 1 0 237.347 0.137 20 30 BCEDRO CN(CC(C)(C)C[NH3+])C(=O)C#CC1CC1 ZINC000876541706 590212692 /nfs/dbraw/zinc/21/26/92/590212692.db2.gz JBJULFRONJNLNM-UHFFFAOYSA-N 1 0 208.305 0.843 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)COC ZINC000876549821 590214382 /nfs/dbraw/zinc/21/43/82/590214382.db2.gz KBDUJIAJZAGJOI-SFYZADRCSA-N 1 0 220.700 0.607 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)NCCC ZINC000876560471 590215763 /nfs/dbraw/zinc/21/57/63/590215763.db2.gz FLHNUMLXOJJCOH-MRVPVSSYSA-N 1 0 247.726 0.099 20 30 BCEDRO CC[N@@H+](CC(=O)NC)C[C@H](C)CCC#N ZINC000876577614 590218088 /nfs/dbraw/zinc/21/80/88/590218088.db2.gz GHHDXAQCTDFZJI-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC(=O)OCC ZINC000876579499 590218237 /nfs/dbraw/zinc/21/82/37/590218237.db2.gz UEKQOTTXEHJPDV-MRVPVSSYSA-N 1 0 248.710 0.526 20 30 BCEDRO C[C@@H](CCC#N)C[N@H+](C)CCS(C)(=O)=O ZINC000876585246 590218429 /nfs/dbraw/zinc/21/84/29/590218429.db2.gz FSMQJWUIHVBQGI-JTQLQIEISA-N 1 0 232.349 0.903 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)CC(=O)NC ZINC000876589327 590219120 /nfs/dbraw/zinc/21/91/20/590219120.db2.gz KFZLDOSCKCGWNB-QMMMGPOBSA-N 1 0 247.726 0.051 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1CCOCC1 ZINC000876593999 590219709 /nfs/dbraw/zinc/21/97/09/590219709.db2.gz QKXVRYIAUXMYOY-VIFPVBQESA-N 1 0 232.711 0.752 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C)(C)C(=O)OC ZINC000876600238 590220548 /nfs/dbraw/zinc/22/05/48/590220548.db2.gz DBQOQSVHVPJYEX-SSDOTTSWSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCOCC1CC1 ZINC000876626085 590223511 /nfs/dbraw/zinc/22/35/11/590223511.db2.gz OCIMWYLTSZBCJB-SNVBAGLBSA-N 1 0 246.738 0.999 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCCNC(=O)C1 ZINC000876640370 590224739 /nfs/dbraw/zinc/22/47/39/590224739.db2.gz SKHFNPIFNORQNF-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@H]1CCOC1 ZINC000876647183 590225590 /nfs/dbraw/zinc/22/55/90/590225590.db2.gz ILZMVYPOOSRQEJ-DTWKUNHWSA-N 1 0 232.711 0.704 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(CO)CC1 ZINC000876656593 590226677 /nfs/dbraw/zinc/22/66/77/590226677.db2.gz QQYHZNSNNMWROZ-QMMMGPOBSA-N 1 0 232.711 0.345 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cc(C)n[nH]1 ZINC000876656366 590226785 /nfs/dbraw/zinc/22/67/85/590226785.db2.gz MGAHPUIBIXAPPL-VIFPVBQESA-N 1 0 242.710 0.804 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)OC ZINC000876668744 590228287 /nfs/dbraw/zinc/22/82/87/590228287.db2.gz OYRKKFIPZBRLOG-MRVPVSSYSA-N 1 0 234.727 0.998 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@@H](OC)C1 ZINC000876669943 590228625 /nfs/dbraw/zinc/22/86/25/590228625.db2.gz BTSAIZUIOQSQTQ-RKDXNWHRSA-N 1 0 232.711 0.704 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](O)CC(C)C ZINC000876675132 590229399 /nfs/dbraw/zinc/22/93/99/590229399.db2.gz DLQCFOZSKQLHSS-ZJUUUORDSA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC1(COC)CC1 ZINC000876678949 590229588 /nfs/dbraw/zinc/22/95/88/590229588.db2.gz TZNPCGSCQMAKCA-QMMMGPOBSA-N 1 0 232.711 0.752 20 30 BCEDRO C#CCCCCCC[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000876751053 590237815 /nfs/dbraw/zinc/23/78/15/590237815.db2.gz SVHSDWOJHRVKFS-TXEJJXNPSA-N 1 0 211.305 0.608 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000876788634 590240935 /nfs/dbraw/zinc/24/09/35/590240935.db2.gz PVJMMZJRDUFFJB-UTLUCORTSA-N 1 0 245.754 0.652 20 30 BCEDRO CN(C)C(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876791983 590242184 /nfs/dbraw/zinc/24/21/84/590242184.db2.gz LANGXOMVLUFSKR-LBPRGKRZSA-N 1 0 229.283 0.833 20 30 BCEDRO CNc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801919 590243146 /nfs/dbraw/zinc/24/31/46/590243146.db2.gz KJSLBJONDHTXES-JOYOIKCWSA-N 1 0 244.298 0.570 20 30 BCEDRO CCCc1nc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)co1 ZINC000876803178 590243690 /nfs/dbraw/zinc/24/36/90/590243690.db2.gz UWGCPWJPXQYTEM-RKDXNWHRSA-N 1 0 248.286 0.468 20 30 BCEDRO CC(C)c1nocc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876803339 590243769 /nfs/dbraw/zinc/24/37/69/590243769.db2.gz VVITZKVCEDUWLC-WPRPVWTQSA-N 1 0 248.286 0.639 20 30 BCEDRO CNc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000876803022 590243888 /nfs/dbraw/zinc/24/38/88/590243888.db2.gz UEKMTBFPVQVYJQ-ZYHUDNBSSA-N 1 0 244.298 0.570 20 30 BCEDRO CC1=C(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCCO1 ZINC000876803396 590243946 /nfs/dbraw/zinc/24/39/46/590243946.db2.gz WEPKCWCHTUAJRT-ONGXEEELSA-N 1 0 235.287 0.299 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(C#N)CC2(CC2)C1 ZINC000876803942 590244022 /nfs/dbraw/zinc/24/40/22/590244022.db2.gz ZTQLDBSSPFXJAC-UWVGGRQHSA-N 1 0 244.298 0.298 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Cl)no1 ZINC000876802783 590244110 /nfs/dbraw/zinc/24/41/10/590244110.db2.gz RWOHQAGBJRMOQR-PHDIDXHHSA-N 1 0 240.650 0.169 20 30 BCEDRO CCC(C)(C)[C@H](O)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876803218 590244165 /nfs/dbraw/zinc/24/41/65/590244165.db2.gz VMYQDMBQHCQQQZ-IVZWLZJFSA-N 1 0 239.319 0.011 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(C#N)CC2(CC2)C1 ZINC000876803944 590244342 /nfs/dbraw/zinc/24/43/42/590244342.db2.gz ZTQLDBSSPFXJAC-ZJUUUORDSA-N 1 0 244.298 0.298 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(F)cc1N ZINC000876803955 590244594 /nfs/dbraw/zinc/24/45/94/590244594.db2.gz ZWCDXFWTDCZTDZ-RDDDGLTNSA-N 1 0 248.261 0.249 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000876807729 590244888 /nfs/dbraw/zinc/24/48/88/590244888.db2.gz JAYWWCNLDWQVBP-JTQLQIEISA-N 1 0 224.304 0.222 20 30 BCEDRO [NH3+][C@H]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC000876828708 590245918 /nfs/dbraw/zinc/24/59/18/590245918.db2.gz FUCGQFOQFWELIH-WDEREUQCSA-N 1 0 206.289 0.786 20 30 BCEDRO O=C(C#CC1CC1)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000876827851 590246869 /nfs/dbraw/zinc/24/68/69/590246869.db2.gz YFTMQPWTBKLJAQ-TXEJJXNPSA-N 1 0 218.300 0.753 20 30 BCEDRO C[NH2+]C[C@@H]1C[C@H](F)CN1C(=O)C#CC1CC1 ZINC000876841952 590248193 /nfs/dbraw/zinc/24/81/93/590248193.db2.gz GFTPXLWSSIERJT-QWRGUYRKSA-N 1 0 224.279 0.558 20 30 BCEDRO [NH3+]CC[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000876838487 590248221 /nfs/dbraw/zinc/24/82/21/590248221.db2.gz KTLYGGLZKMXWNL-GFCCVEGCSA-N 1 0 220.316 0.987 20 30 BCEDRO O=C(C#CC1CC1)N[C@H]1C[NH2+]CCC1(F)F ZINC000876866987 590251510 /nfs/dbraw/zinc/25/15/10/590251510.db2.gz ZOGAIHQIJMWZHW-VIFPVBQESA-N 1 0 228.242 0.513 20 30 BCEDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)C#CC1CC1 ZINC000876870965 590251878 /nfs/dbraw/zinc/25/18/78/590251878.db2.gz FDIAXXPEFZGKHK-JTQLQIEISA-N 1 0 206.289 0.657 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)CC(=O)OC ZINC000876878928 590252220 /nfs/dbraw/zinc/25/22/20/590252220.db2.gz KZSJCEURKXBHPW-MRVPVSSYSA-N 1 0 248.710 0.478 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCn1cccn1 ZINC000876877140 590252292 /nfs/dbraw/zinc/25/22/92/590252292.db2.gz OCECJEAWZKWNTL-SECBINFHSA-N 1 0 242.710 0.469 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)N(C)CC ZINC000876897965 590255729 /nfs/dbraw/zinc/25/57/29/590255729.db2.gz OVWWPRRKCNECNI-MRVPVSSYSA-N 1 0 247.726 0.051 20 30 BCEDRO CC(C)(C)[C@H](C[NH3+])NC(=O)C#CC1CC1 ZINC000876916190 590257121 /nfs/dbraw/zinc/25/71/21/590257121.db2.gz NLZWNVWRZQOOEP-JTQLQIEISA-N 1 0 208.305 0.889 20 30 BCEDRO C[C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C[NH3+] ZINC000876918245 590257388 /nfs/dbraw/zinc/25/73/88/590257388.db2.gz IYNTWSLHJKJXGY-JQWIXIFHSA-N 1 0 220.316 0.843 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCNC(C)=O ZINC000876937235 590258713 /nfs/dbraw/zinc/25/87/13/590258713.db2.gz SXEICRHPKPYSRK-SECBINFHSA-N 1 0 247.726 0.051 20 30 BCEDRO C=CCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876962201 590262031 /nfs/dbraw/zinc/26/20/31/590262031.db2.gz OBAXRAIPXYJLCG-BDAKNGLRSA-N 1 0 200.257 0.626 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000876994174 590262517 /nfs/dbraw/zinc/26/25/17/590262517.db2.gz BYAQEFHQDGVUPN-HRDYMLBCSA-N 1 0 214.696 0.935 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1C[C@H]([NH3+])C1(C)C ZINC000876974685 590263644 /nfs/dbraw/zinc/26/36/44/590263644.db2.gz PJUGDTZLTRKRMO-ZJUUUORDSA-N 1 0 226.320 0.679 20 30 BCEDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)C#CC1CC1 ZINC000876998574 590267302 /nfs/dbraw/zinc/26/73/02/590267302.db2.gz OQUIRLLXRYSMSB-LBPRGKRZSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CCCCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000877038968 590272561 /nfs/dbraw/zinc/27/25/61/590272561.db2.gz CLZHTDAWTDYYGV-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000877038313 590273060 /nfs/dbraw/zinc/27/30/60/590273060.db2.gz MDJWDUTUYYDDOC-JTQLQIEISA-N 1 0 224.304 0.141 20 30 BCEDRO C/C=C\CNC(=O)C#CC1CC[NH2+]CC1 ZINC000877060506 590276060 /nfs/dbraw/zinc/27/60/60/590276060.db2.gz KOAGAIFRDDBUKS-IHWYPQMZSA-N 1 0 206.289 0.682 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000877072222 590277864 /nfs/dbraw/zinc/27/78/64/590277864.db2.gz IQEFYCXRPNWBMS-CMPLNLGQSA-N 1 0 236.319 0.983 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000877072223 590278021 /nfs/dbraw/zinc/27/80/21/590278021.db2.gz IQEFYCXRPNWBMS-JQWIXIFHSA-N 1 0 236.319 0.983 20 30 BCEDRO COC(=O)N1CC([NH2+]C[C@H](C)CCC#N)C1 ZINC000877097684 590280203 /nfs/dbraw/zinc/28/02/03/590280203.db2.gz FNYMECAOWAZISF-SECBINFHSA-N 1 0 225.292 0.966 20 30 BCEDRO C=CCOCCCC(=O)N(C)C[C@H](C)[NH3+] ZINC000877101089 590282801 /nfs/dbraw/zinc/28/28/01/590282801.db2.gz DVNVFPDIDVKJJL-JTQLQIEISA-N 1 0 214.309 0.775 20 30 BCEDRO COc1cc(C(=O)N(C)C[C@@H](C)[NH3+])ccc1C#N ZINC000877104991 590284436 /nfs/dbraw/zinc/28/44/36/590284436.db2.gz GWXZLWJTDBAYMZ-SECBINFHSA-N 1 0 247.298 0.986 20 30 BCEDRO CN(C(=O)[C@@H](N)C[NH+](C)C)[C@@H]1CCC[C@@H]1C#N ZINC000877196795 590300079 /nfs/dbraw/zinc/30/00/79/590300079.db2.gz KIJNDVZZKGAOOP-OUAUKWLOSA-N 1 0 238.335 0.026 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2C[C@H]([NH3+])C2)CCCC1 ZINC000877244062 590303172 /nfs/dbraw/zinc/30/31/72/590303172.db2.gz UFCJWIKKEROZKJ-MGCOHNPYSA-N 1 0 221.304 0.924 20 30 BCEDRO COc1ccc(NC(=O)[C@@H](C)[NH3+])cc1C#N ZINC000877270185 590304836 /nfs/dbraw/zinc/30/48/36/590304836.db2.gz FRUVSXIEVKEUFD-SSDOTTSWSA-N 1 0 219.244 0.853 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCn2nccc21 ZINC000877293704 590308021 /nfs/dbraw/zinc/30/80/21/590308021.db2.gz UPLULKATSNQBTM-QMMMGPOBSA-N 1 0 240.694 0.700 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000877339194 590318065 /nfs/dbraw/zinc/31/80/65/590318065.db2.gz ULLWGLSIYGXICA-CHWSQXEVSA-N 1 0 243.347 0.955 20 30 BCEDRO C=CCCOCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877391161 590322004 /nfs/dbraw/zinc/32/20/04/590322004.db2.gz HRJWJIZVSKISMK-YPMHNXCESA-N 1 0 238.331 0.980 20 30 BCEDRO C=CCOCC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877395311 590322553 /nfs/dbraw/zinc/32/25/53/590322553.db2.gz IWBQOJCPMVBJCJ-ZYHUDNBSSA-N 1 0 224.304 0.590 20 30 BCEDRO C=CC[N@@H+](C)Cc1cccc(S(N)(=O)=O)c1 ZINC000877426092 590325272 /nfs/dbraw/zinc/32/52/72/590325272.db2.gz JURWPVDZMUGKDR-UHFFFAOYSA-N 1 0 240.328 0.952 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@H]2CCCNC(=O)C2)nc1 ZINC000877460987 590331550 /nfs/dbraw/zinc/33/15/50/590331550.db2.gz ZOOPOJBJCOVVTJ-LLVKDONJSA-N 1 0 244.298 0.712 20 30 BCEDRO C#CCCCCCC[NH2+]CCS(=O)(=O)NC ZINC000877463319 590332824 /nfs/dbraw/zinc/33/28/24/590332824.db2.gz DZHOJDUDRSDPEE-UHFFFAOYSA-N 1 0 246.376 0.709 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000877513514 590344833 /nfs/dbraw/zinc/34/48/33/590344833.db2.gz ALWZHAKTDJPTEH-SECBINFHSA-N 1 0 238.312 0.445 20 30 BCEDRO C#C[C@H](C)[NH2+]C1CCN(CC(C)(C)O)CC1 ZINC000877514236 590345086 /nfs/dbraw/zinc/34/50/86/590345086.db2.gz KTFSDFHBLSKBLQ-NSHDSACASA-N 1 0 224.348 0.833 20 30 BCEDRO C#CCCCCCC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000877567351 590361703 /nfs/dbraw/zinc/36/17/03/590361703.db2.gz KLFGKOHJECIHPK-TXEJJXNPSA-N 1 0 248.326 0.775 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)Cn1cncn1)C1CCOCC1 ZINC000877638157 590381869 /nfs/dbraw/zinc/38/18/69/590381869.db2.gz SZBLZUSSLYAXHJ-YPMHNXCESA-N 1 0 248.330 0.685 20 30 BCEDRO CON(C)C(=O)[C@H](C)[NH2+]C[C@H](C)CCC#N ZINC000877659277 590386363 /nfs/dbraw/zinc/38/63/63/590386363.db2.gz NQAWQCGWKMRNEF-ZJUUUORDSA-N 1 0 227.308 0.924 20 30 BCEDRO N#Cc1cccc(C[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)n1 ZINC000877660355 590386914 /nfs/dbraw/zinc/38/69/14/590386914.db2.gz JZKTVLLMYMYPCC-CABZTGNLSA-N 1 0 243.266 0.558 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@H](C)Cn1cncn1 ZINC000877662008 590387672 /nfs/dbraw/zinc/38/76/72/590387672.db2.gz LJBZAEJDAJMHON-MNOVXSKESA-N 1 0 222.292 0.295 20 30 BCEDRO CC(C)(CCC#N)C[NH2+]CCS(C)(=O)=O ZINC000126733454 590428994 /nfs/dbraw/zinc/42/89/94/590428994.db2.gz ZPCJNEAXLAYAAS-UHFFFAOYSA-N 1 0 232.349 0.951 20 30 BCEDRO N#CCNC(=O)c1ccc(-n2ccnc2)nc1 ZINC000126774084 590442836 /nfs/dbraw/zinc/44/28/36/590442836.db2.gz IYUOBTKKNQRLMT-UHFFFAOYSA-N 1 0 227.227 0.521 20 30 BCEDRO C=CC[C@H](C(=O)OC)N(CC)CC(=O)NC ZINC000877985916 590465478 /nfs/dbraw/zinc/46/54/78/590465478.db2.gz BRCBHCMBJZWBHB-SECBINFHSA-N 1 0 228.292 0.172 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000878034632 590476225 /nfs/dbraw/zinc/47/62/25/590476225.db2.gz IOEPUDUMFBFNOM-GHMZBOCLSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCO[C@@H](CNC(C)=O)C1 ZINC000878112794 590497364 /nfs/dbraw/zinc/49/73/64/590497364.db2.gz OKYGKZPUEAAWHP-PWSUYJOCSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH+](CC#C)Cc1cc[nH]c(=O)c1 ZINC000878151571 590507112 /nfs/dbraw/zinc/50/71/12/590507112.db2.gz ASUFEKOZIFEKQP-UHFFFAOYSA-N 1 0 200.241 0.856 20 30 BCEDRO C#CC[NH+](CC#C)CCc1ccc(C(N)=O)cc1 ZINC000878153656 590508064 /nfs/dbraw/zinc/50/80/64/590508064.db2.gz XEJGSXKDZHIXDC-UHFFFAOYSA-N 1 0 240.306 0.896 20 30 BCEDRO C#CCCCCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000878155750 590508909 /nfs/dbraw/zinc/50/89/09/590508909.db2.gz LFCFKMFUOKSYCC-TXEJJXNPSA-N 1 0 211.305 0.608 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+](C)C[C@H](C)C(=O)NC ZINC000878161778 590510426 /nfs/dbraw/zinc/51/04/26/590510426.db2.gz CBUPPBAOEGWLSG-UWVGGRQHSA-N 1 0 242.319 0.418 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCN(C(C)(C)C(N)=O)CC1 ZINC000878172973 590514903 /nfs/dbraw/zinc/51/49/03/590514903.db2.gz PRVXHSKXYISIKL-NSHDSACASA-N 1 0 239.363 0.833 20 30 BCEDRO C=CC[C@@H](C)[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000878264038 590531618 /nfs/dbraw/zinc/53/16/18/590531618.db2.gz AGVSLWJZUYCTHO-MNOVXSKESA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+](C)CCCC(=O)NC ZINC000878296757 590536577 /nfs/dbraw/zinc/53/65/77/590536577.db2.gz MUSFQACRXYARRY-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2nccnc2C)CC1 ZINC000878312087 590541262 /nfs/dbraw/zinc/54/12/62/590541262.db2.gz GLBPALHXKBSTLQ-UHFFFAOYSA-N 1 0 244.342 0.926 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000878340695 590551731 /nfs/dbraw/zinc/55/17/31/590551731.db2.gz UELIWGZXJDPTHJ-GHMZBOCLSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000878342838 590552705 /nfs/dbraw/zinc/55/27/05/590552705.db2.gz IXTFZIDYNMPZDI-UWVGGRQHSA-N 1 0 232.349 0.704 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000878379461 590556577 /nfs/dbraw/zinc/55/65/77/590556577.db2.gz LXSLSQNQQCGOQW-QWRGUYRKSA-N 1 0 246.376 0.917 20 30 BCEDRO Cn1nnnc1CCN1CCC[C@](C)(C#N)C1 ZINC000878406567 590561297 /nfs/dbraw/zinc/56/12/97/590561297.db2.gz YIKPZHZNRPJBEL-LLVKDONJSA-N 1 0 234.307 0.378 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1CCc2ncnn21)[C@@H]1CCCO1 ZINC000878454180 590570679 /nfs/dbraw/zinc/57/06/79/590570679.db2.gz UYYJSVJJELYJPQ-WOPDTQHZSA-N 1 0 246.314 0.536 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000878464403 590571460 /nfs/dbraw/zinc/57/14/60/590571460.db2.gz XCCPLIVEMFKUDP-AXFHLTTASA-N 1 0 227.304 0.807 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@](O)(CC)C1 ZINC000878465968 590572759 /nfs/dbraw/zinc/57/27/59/590572759.db2.gz IZAPJNVYVILVJW-CMPLNLGQSA-N 1 0 227.304 0.951 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)CC1(O)CCCC1 ZINC000878517746 590585703 /nfs/dbraw/zinc/58/57/03/590585703.db2.gz WJMGXKXCJNGDDM-NWDGAFQWSA-N 1 0 225.332 0.996 20 30 BCEDRO C=C[C@H]1CCCC[N@H+]1CCc1nnnn1C ZINC000878523363 590586003 /nfs/dbraw/zinc/58/60/03/590586003.db2.gz BPXLBCSZEQJESO-JTQLQIEISA-N 1 0 221.308 0.793 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000878532171 590587228 /nfs/dbraw/zinc/58/72/28/590587228.db2.gz QATLYPYCVUKLDV-NXEZZACHSA-N 1 0 227.304 0.807 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000878529966 590587317 /nfs/dbraw/zinc/58/73/17/590587317.db2.gz OFRSCFWYZWAJTR-BXKDBHETSA-N 1 0 237.303 0.625 20 30 BCEDRO C[C@H](O)C[NH2+]CCNc1ccc(C#N)cn1 ZINC000127261885 590603192 /nfs/dbraw/zinc/60/31/92/590603192.db2.gz KAGOONHLTFTJLS-VIFPVBQESA-N 1 0 220.276 0.336 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)CC(C)(C)O ZINC000878660855 590604562 /nfs/dbraw/zinc/60/45/62/590604562.db2.gz NWRRAKYWDMVATR-PWSUYJOCSA-N 1 0 213.321 0.900 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)CC(C)(C)O ZINC000878698124 590610866 /nfs/dbraw/zinc/61/08/66/590610866.db2.gz BFEXPRFMNYTCAQ-VHSXEESVSA-N 1 0 214.309 0.790 20 30 BCEDRO C#CCC[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@H]1C ZINC000878752091 590618825 /nfs/dbraw/zinc/61/88/25/590618825.db2.gz GNUMDOAYJQQLOF-HBNTYKKESA-N 1 0 208.305 0.949 20 30 BCEDRO COC(C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1)OC ZINC000878772025 590620571 /nfs/dbraw/zinc/62/05/71/590620571.db2.gz CNDITXSQAWFOCV-QWRGUYRKSA-N 1 0 241.335 0.523 20 30 BCEDRO C#CCN(Cc1c[nH]cn1)C1CSC1 ZINC000878909066 590645351 /nfs/dbraw/zinc/64/53/51/590645351.db2.gz JJSQEKBWPHHNBL-UHFFFAOYSA-N 1 0 207.302 0.960 20 30 BCEDRO C#CCNC(=O)CC[N@H+](CC#C)C1CSC1 ZINC000878909859 590646363 /nfs/dbraw/zinc/64/63/63/590646363.db2.gz FNXKJQVUBHRMAF-UHFFFAOYSA-N 1 0 236.340 0.177 20 30 BCEDRO C#CC[N@@H+](CC[C@@H]1CCNC1=O)C1CSC1 ZINC000878910748 590646633 /nfs/dbraw/zinc/64/66/33/590646633.db2.gz SNKRQXSQBBBOBX-JTQLQIEISA-N 1 0 238.356 0.563 20 30 BCEDRO C=CC[C@H](C)[N@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000879034097 590682353 /nfs/dbraw/zinc/68/23/53/590682353.db2.gz WHGUZRZDQBHYCP-QWRGUYRKSA-N 1 0 241.335 0.581 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879042838 590685026 /nfs/dbraw/zinc/68/50/26/590685026.db2.gz XULHXHWFZAQWRQ-WDEREUQCSA-N 1 0 244.310 0.459 20 30 BCEDRO C#CCOCC[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879042188 590685937 /nfs/dbraw/zinc/68/59/37/590685937.db2.gz WQBRKUAGLKVPTQ-NSHDSACASA-N 1 0 242.294 0.172 20 30 BCEDRO C=CCOCC[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879043645 590686116 /nfs/dbraw/zinc/68/61/16/590686116.db2.gz JXVJYKRDMNLOIV-LLVKDONJSA-N 1 0 244.310 0.724 20 30 BCEDRO C#CCC[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000879191422 590712258 /nfs/dbraw/zinc/71/22/58/590712258.db2.gz CPLYJFRPTGFFLE-UHFFFAOYSA-N 1 0 233.319 0.269 20 30 BCEDRO C#CCCC[NH+]1CCN(c2nnc(C)n2C)CC1 ZINC000879192871 590712464 /nfs/dbraw/zinc/71/24/64/590712464.db2.gz SJIZRNZAEUPMNW-UHFFFAOYSA-N 1 0 247.346 0.659 20 30 BCEDRO C#CC[N@H+]1CCc2c(CC(N)=O)cccc2C1 ZINC000879228014 590717825 /nfs/dbraw/zinc/71/78/25/590717825.db2.gz CJPRMHNIZQYBPJ-UHFFFAOYSA-N 1 0 228.295 0.706 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000879308810 590734368 /nfs/dbraw/zinc/73/43/68/590734368.db2.gz IAZGWTDUHPQNBZ-NWDGAFQWSA-N 1 0 233.315 0.750 20 30 BCEDRO CC#CC[N@H+]1CCCC[C@H]1CNC(=O)NC ZINC000879337881 590751500 /nfs/dbraw/zinc/75/15/00/590751500.db2.gz YQUVPNFCPUVLRT-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C=CC[N@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879479177 590777750 /nfs/dbraw/zinc/77/77/50/590777750.db2.gz GDYMFMVBVIWUMG-LLVKDONJSA-N 1 0 224.260 0.566 20 30 BCEDRO C=CCCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879531977 590794940 /nfs/dbraw/zinc/79/49/40/590794940.db2.gz OJKZFMMOOZWZKP-AOOOYVTPSA-N 1 0 222.288 0.499 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879556685 590796481 /nfs/dbraw/zinc/79/64/81/590796481.db2.gz GDJMGEQWWQZCED-ZJUUUORDSA-N 1 0 239.344 0.311 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572377 590811401 /nfs/dbraw/zinc/81/14/01/590811401.db2.gz PODYNTMEKSJGIY-VXGBXAGGSA-N 1 0 237.347 0.315 20 30 BCEDRO C=C(C)[C@H](CO)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879577895 590812773 /nfs/dbraw/zinc/81/27/73/590812773.db2.gz NSDLAIYTTUWWFA-AVGNSLFASA-N 1 0 224.348 0.949 20 30 BCEDRO C=CCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879720158 590854953 /nfs/dbraw/zinc/85/49/53/590854953.db2.gz WYAMJHDZSYBYSR-GHMZBOCLSA-N 1 0 224.304 0.542 20 30 BCEDRO C=CCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879720161 590855105 /nfs/dbraw/zinc/85/51/05/590855105.db2.gz WYAMJHDZSYBYSR-WDEREUQCSA-N 1 0 224.304 0.542 20 30 BCEDRO C=CCCC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879719864 590855653 /nfs/dbraw/zinc/85/56/53/590855653.db2.gz VBRHYESYNJIIID-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO CC#CCC[NH+]1CCC(C(=O)NOC)CC1 ZINC000879923419 590889024 /nfs/dbraw/zinc/88/90/24/590889024.db2.gz FTSGJXSTYFZNOL-UHFFFAOYSA-N 1 0 224.304 0.789 20 30 BCEDRO C=CC[NH+]1CCC(c2nnnn2C)CC1 ZINC000879915658 590889689 /nfs/dbraw/zinc/88/96/89/590889689.db2.gz MWHUVTQYEKNUDA-UHFFFAOYSA-N 1 0 207.281 0.576 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879969877 590900613 /nfs/dbraw/zinc/90/06/13/590900613.db2.gz QQMHVKSKFQAGTA-GFCCVEGCSA-N 1 0 243.347 0.380 20 30 BCEDRO C=CC(C)(C)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879993850 590904927 /nfs/dbraw/zinc/90/49/27/590904927.db2.gz VJSZNHWWVDLDIA-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO CC#CCN1C[C@@H]2CCC[N@@H+]2C[C@@H]1CO ZINC000880069710 590917268 /nfs/dbraw/zinc/91/72/68/590917268.db2.gz VTOKWIMIDVEPAI-NWDGAFQWSA-N 1 0 208.305 0.151 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000880132934 590933871 /nfs/dbraw/zinc/93/38/71/590933871.db2.gz REDXBDRTERXFHV-NEPJUHHUSA-N 1 0 237.347 0.457 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880149234 590946254 /nfs/dbraw/zinc/94/62/54/590946254.db2.gz YFDLBCMNACKQKL-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C(C)CC[N@H+](CC(N)=O)C1CCOCC1 ZINC000880394884 591019878 /nfs/dbraw/zinc/01/98/78/591019878.db2.gz WZXZGWPXAWVAEV-UHFFFAOYSA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880424224 591030183 /nfs/dbraw/zinc/03/01/83/591030183.db2.gz GNCNFJFJPZRMQC-QWRGUYRKSA-N 1 0 242.319 0.024 20 30 BCEDRO CO[C@H]1COCC[C@@H]1[N@H+](C)CCOCCC#N ZINC000880436734 591038499 /nfs/dbraw/zinc/03/84/99/591038499.db2.gz AOLXHVNAABIIEC-RYUDHWBXSA-N 1 0 242.319 0.652 20 30 BCEDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CCOCCC#N ZINC000880436735 591038923 /nfs/dbraw/zinc/03/89/23/591038923.db2.gz AOLXHVNAABIIEC-VXGBXAGGSA-N 1 0 242.319 0.652 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1[C@H](C)CC[C@@H]1CO ZINC000880440366 591042917 /nfs/dbraw/zinc/04/29/17/591042917.db2.gz AUGKACCFOPAVGI-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C#CCC1(O)CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000880476844 591054034 /nfs/dbraw/zinc/05/40/34/591054034.db2.gz HSAJZRSHRLBKPM-NSHDSACASA-N 1 0 238.331 0.313 20 30 BCEDRO C#CCC1(O)CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000880481494 591056314 /nfs/dbraw/zinc/05/63/14/591056314.db2.gz VHTKCYQVWPKSTK-NSHDSACASA-N 1 0 236.315 0.115 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC=C[C@@H]2CO)C1=O ZINC000880491134 591065813 /nfs/dbraw/zinc/06/58/13/591065813.db2.gz GYZCNZZXWCDVSZ-MNOVXSKESA-N 1 0 222.288 0.006 20 30 BCEDRO COCCC1(CNC(=[NH2+])N[C@H](C)COC)CC1 ZINC000128568977 591126245 /nfs/dbraw/zinc/12/62/45/591126245.db2.gz NHWGYBRBOFHLIK-SNVBAGLBSA-N 1 0 243.351 0.742 20 30 BCEDRO C=CC(C)(C)CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000880861272 591148317 /nfs/dbraw/zinc/14/83/17/591148317.db2.gz VHZVJLFXEPTXDJ-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C[NH+](C)CCNC(=O)Nc1cccc(CC#N)n1 ZINC000881149013 591166435 /nfs/dbraw/zinc/16/64/35/591166435.db2.gz KOZKGWGUOIYIGI-UHFFFAOYSA-N 1 0 247.302 0.831 20 30 BCEDRO CC(C)[C@@H]([NH3+])c1cn(CCO[C@@H](C)C#N)nn1 ZINC000881323686 591190796 /nfs/dbraw/zinc/19/07/96/591190796.db2.gz NXBXWIGDHHPFLR-GXSJLCMTSA-N 1 0 237.307 0.863 20 30 BCEDRO C#CCOCCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000128948826 591193458 /nfs/dbraw/zinc/19/34/58/591193458.db2.gz LLHSPBRQVGDMAT-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C=CCN1CC[C@H](n2cc([C@H](C)[NH3+])nn2)C1=O ZINC000881337107 591194005 /nfs/dbraw/zinc/19/40/05/591194005.db2.gz ZIXWHTWXHBIACP-WPRPVWTQSA-N 1 0 235.291 0.257 20 30 BCEDRO C=CCN1CC[C@H](n2cc([C@@H](C)[NH3+])nn2)C1=O ZINC000881337105 591194458 /nfs/dbraw/zinc/19/44/58/591194458.db2.gz ZIXWHTWXHBIACP-SCZZXKLOSA-N 1 0 235.291 0.257 20 30 BCEDRO C=CCN1CC[C@@H](n2cc([C@@H](C)[NH3+])nn2)C1=O ZINC000881337104 591194592 /nfs/dbraw/zinc/19/45/92/591194592.db2.gz ZIXWHTWXHBIACP-PSASIEDQSA-N 1 0 235.291 0.257 20 30 BCEDRO C=C(C)C[C@H](NC(=O)C[NH+](C)C)C(=O)OCC ZINC000881752632 591269750 /nfs/dbraw/zinc/26/97/50/591269750.db2.gz VTNAEFNKCOFOMB-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO C#CCC(CC#C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882491978 591372414 /nfs/dbraw/zinc/37/24/14/591372414.db2.gz ODQIIZICZBYDQI-ZDUSSCGKSA-N 1 0 232.327 0.860 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882492546 591373153 /nfs/dbraw/zinc/37/31/53/591373153.db2.gz AIEZMOAGGKFLLN-GXSJLCMTSA-N 1 0 212.293 0.134 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cccc(C#N)n1 ZINC000882492539 591373692 /nfs/dbraw/zinc/37/36/92/591373692.db2.gz QQRADKLWNBMMEN-NSHDSACASA-N 1 0 244.298 0.777 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CCCC#N ZINC000882493763 591375498 /nfs/dbraw/zinc/37/54/98/591375498.db2.gz LLEKMFSZMAYZRH-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C#CCC1(O)CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000882531448 591383787 /nfs/dbraw/zinc/38/37/87/591383787.db2.gz VDZMHJVJSRPUSG-LLVKDONJSA-N 1 0 238.331 0.313 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C[NH+](CC)CC ZINC000882893576 591466917 /nfs/dbraw/zinc/46/69/17/591466917.db2.gz XJYDNLPPXXRDSY-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000882894641 591466896 /nfs/dbraw/zinc/46/68/96/591466896.db2.gz UWLOFMXAVCHVOI-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000882894806 591467310 /nfs/dbraw/zinc/46/73/10/591467310.db2.gz YJCMXUMKXYIFMI-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CC[C@@H](CO)NCc1nn(CC)nc1C ZINC000883110387 591541489 /nfs/dbraw/zinc/54/14/89/591541489.db2.gz YCYMQDKWTODGBQ-JTQLQIEISA-N 1 0 224.308 0.633 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc2nccn21 ZINC000883123677 591543571 /nfs/dbraw/zinc/54/35/71/591543571.db2.gz HFQZPETVBWQUTO-NSHDSACASA-N 1 0 229.283 0.808 20 30 BCEDRO C#CC[C@H](CO)[NH2+]CC1(OC)CCOCC1 ZINC000883124685 591544349 /nfs/dbraw/zinc/54/43/49/591544349.db2.gz MTGFFALPCGQRHD-LLVKDONJSA-N 1 0 227.304 0.156 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cncc(OCC)c1 ZINC000883125304 591544372 /nfs/dbraw/zinc/54/43/72/591544372.db2.gz DYPORCWXWSPURF-GFCCVEGCSA-N 1 0 234.299 0.954 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000883125376 591544377 /nfs/dbraw/zinc/54/43/77/591544377.db2.gz HEIPRTZPFUYUSG-GFCCVEGCSA-N 1 0 231.299 0.828 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]CC1(OC)CCOCC1 ZINC000883124686 591544388 /nfs/dbraw/zinc/54/43/88/591544388.db2.gz MTGFFALPCGQRHD-NSHDSACASA-N 1 0 227.304 0.156 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c(C)nnn1CC ZINC000883125366 591544472 /nfs/dbraw/zinc/54/44/72/591544472.db2.gz GQLSOISBDLNVAW-JTQLQIEISA-N 1 0 222.292 0.080 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c(C2CC2)cnn1C ZINC000883125744 591544905 /nfs/dbraw/zinc/54/49/05/591544905.db2.gz SOIDUHSZTMBMPU-LLVKDONJSA-N 1 0 233.315 0.771 20 30 BCEDRO C#CCN(C)CCC[NH2+]Cc1cnn2c1CCC2 ZINC000883131067 591546714 /nfs/dbraw/zinc/54/67/14/591546714.db2.gz FDXIGGANQNMTOE-UHFFFAOYSA-N 1 0 246.358 0.874 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000883156664 591556315 /nfs/dbraw/zinc/55/63/15/591556315.db2.gz VRGAOPWJEGUWDC-DDHJBXDOSA-N 1 0 239.315 0.548 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1ccncc1N ZINC000883192161 591568552 /nfs/dbraw/zinc/56/85/52/591568552.db2.gz SBSVLBDNRSAZBE-LLVKDONJSA-N 1 0 219.288 0.792 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000883390387 591641746 /nfs/dbraw/zinc/64/17/46/591641746.db2.gz LDTVHXMEHXJPGH-UWVGGRQHSA-N 1 0 235.349 0.336 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CCN(CCOC)C1 ZINC000883391731 591643901 /nfs/dbraw/zinc/64/39/01/591643901.db2.gz QVJLZWFTRZBCEE-STQMWFEESA-N 1 0 242.363 0.624 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cnnn1CC ZINC000883400644 591648118 /nfs/dbraw/zinc/64/81/18/591648118.db2.gz ROUIGLBXNOYYCR-JTQLQIEISA-N 1 0 224.308 0.715 20 30 BCEDRO C[C@@]1(C#N)CCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000883436644 591666057 /nfs/dbraw/zinc/66/60/57/591666057.db2.gz XZRDGJKETKHIMU-DCAQKATOSA-N 1 0 211.284 0.922 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCCCC#N ZINC000883564372 591693478 /nfs/dbraw/zinc/69/34/78/591693478.db2.gz OXOUEIHFSOJTMI-SNVBAGLBSA-N 1 0 224.308 0.684 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)Nc1cccc(CC#N)n1 ZINC000883587871 591695280 /nfs/dbraw/zinc/69/52/80/591695280.db2.gz VAAXGMGAQTXREG-SECBINFHSA-N 1 0 247.302 0.959 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883581251 591695659 /nfs/dbraw/zinc/69/56/59/591695659.db2.gz SUQOFLBQNAOWRY-VHSXEESVSA-N 1 0 209.293 0.402 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000132272346 591696930 /nfs/dbraw/zinc/69/69/30/591696930.db2.gz BVXAPYXTGQWIOF-VIFPVBQESA-N 1 0 235.374 0.376 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@@H](C)C#N ZINC000883601854 591699070 /nfs/dbraw/zinc/69/90/70/591699070.db2.gz HPFQNRGMTBGXFW-UWVGGRQHSA-N 1 0 224.308 0.539 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)NC[C@H](C)C#N ZINC000883601856 591699628 /nfs/dbraw/zinc/69/96/28/591699628.db2.gz HPFQNRGMTBGXFW-ZJUUUORDSA-N 1 0 224.308 0.539 20 30 BCEDRO C[C@H](O)CNC(=[NH2+])NCCc1cccs1 ZINC000132362443 591705240 /nfs/dbraw/zinc/70/52/40/591705240.db2.gz SRABKKBOHLKUEI-QMMMGPOBSA-N 1 0 227.333 0.576 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000883698007 591721575 /nfs/dbraw/zinc/72/15/75/591721575.db2.gz VAVJSRVGVHMKAH-WDEREUQCSA-N 1 0 243.351 0.563 20 30 BCEDRO CC[NH2+]CCCNC(=O)c1ccc(C#N)[nH]1 ZINC000884014507 591799674 /nfs/dbraw/zinc/79/96/74/591799674.db2.gz OCNBKXZRQXRSJV-UHFFFAOYSA-N 1 0 220.276 0.616 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@H]2CCCC[NH2+]2)[nH]1 ZINC000884018079 591800017 /nfs/dbraw/zinc/80/00/17/591800017.db2.gz MRQQLVMKTNQPQJ-SNVBAGLBSA-N 1 0 232.287 0.758 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@H]([NH3+])C2)[nH]1 ZINC000884019847 591801329 /nfs/dbraw/zinc/80/13/29/591801329.db2.gz DYGBOUNUJAFFMB-ZETCQYMHSA-N 1 0 204.233 0.060 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]2)[nH]1 ZINC000884024107 591804515 /nfs/dbraw/zinc/80/45/15/591804515.db2.gz HCLYNPQUGSVQPM-VIFPVBQESA-N 1 0 218.260 0.368 20 30 BCEDRO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1[NH3+] ZINC000884032722 591815758 /nfs/dbraw/zinc/81/57/58/591815758.db2.gz ANSOCPVXWKXPPE-WCBMZHEXSA-N 1 0 232.287 0.696 20 30 BCEDRO CC(C)[C@](C)(C[NH3+])NC(=O)c1ccc(C#N)[nH]1 ZINC000884036618 591817391 /nfs/dbraw/zinc/81/73/91/591817391.db2.gz ZUFXVZSPVIFHFD-LBPRGKRZSA-N 1 0 234.303 0.990 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@H]3CC[C@@H](C2)[NH2+]3)[nH]1 ZINC000884038542 591820050 /nfs/dbraw/zinc/82/00/50/591820050.db2.gz LXAKYGAVYXKQJC-KOLCDFICSA-N 1 0 244.298 0.853 20 30 BCEDRO CC(C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884043342 591824285 /nfs/dbraw/zinc/82/42/85/591824285.db2.gz UHFIDOJXLXTXHO-SQLBVSGCSA-N 1 0 221.304 0.650 20 30 BCEDRO C=CCNC(=O)c1ccnc(N2CC[NH2+]CC2)c1 ZINC000884045983 591826019 /nfs/dbraw/zinc/82/60/19/591826019.db2.gz ODDIQCZAIZBZNG-UHFFFAOYSA-N 1 0 246.314 0.407 20 30 BCEDRO CN(C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N)C1CC1 ZINC000884080358 591845354 /nfs/dbraw/zinc/84/53/54/591845354.db2.gz RWAWPYDCNZICEK-QUNCOHTASA-N 1 0 233.315 0.747 20 30 BCEDRO CCCCNC(=O)CON=C(N)C(C)C ZINC000133678979 591847666 /nfs/dbraw/zinc/84/76/66/591847666.db2.gz FMOFJAFHRDDJQA-UHFFFAOYSA-N 1 0 215.297 0.848 20 30 BCEDRO CC(C)CNC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000134053975 591879329 /nfs/dbraw/zinc/87/93/29/591879329.db2.gz RCXFTAAYMRYQFV-NSHDSACASA-N 1 0 243.351 0.742 20 30 BCEDRO C[C@@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[NH2+]1 ZINC000884274615 591889458 /nfs/dbraw/zinc/88/94/58/591889458.db2.gz QLVPGIPPWRAFGM-BDAKNGLRSA-N 1 0 232.287 0.757 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000884303254 591899366 /nfs/dbraw/zinc/89/93/66/591899366.db2.gz KGJPHZIXQQVYEI-RKDXNWHRSA-N 1 0 232.287 0.744 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2C[C@H]([NH3+])C2(C)C)nn1 ZINC000884360837 591914804 /nfs/dbraw/zinc/91/48/04/591914804.db2.gz HSFROMYVVACGII-UWVGGRQHSA-N 1 0 249.318 0.320 20 30 BCEDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884365193 591917374 /nfs/dbraw/zinc/91/73/74/591917374.db2.gz FJVSGNOWRGJFPQ-UWVGGRQHSA-N 1 0 232.287 0.742 20 30 BCEDRO C#CCNC(=O)c1ccccc1OCC[NH2+]C ZINC000884381027 591920880 /nfs/dbraw/zinc/92/08/80/591920880.db2.gz SJIHMUFZTMDOJG-UHFFFAOYSA-N 1 0 232.283 0.648 20 30 BCEDRO N#Cc1ccc(C(=O)NCCC2(C[NH3+])CC2)[nH]1 ZINC000884384640 591922537 /nfs/dbraw/zinc/92/25/37/591922537.db2.gz SFSMAKRRFQBXFA-UHFFFAOYSA-N 1 0 232.287 0.745 20 30 BCEDRO CC(C)C[C@H]1COCC1=NNC1=[NH+][C@H](C)CN1 ZINC000884448271 591937466 /nfs/dbraw/zinc/93/74/66/591937466.db2.gz VXOSMYRYAFFOIF-ZJUUUORDSA-N 1 0 238.335 0.972 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C#N)[nH]1 ZINC000884458689 591941144 /nfs/dbraw/zinc/94/11/44/591941144.db2.gz LORFJKGUMCEHPO-SFYZADRCSA-N 1 0 218.260 0.448 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C#N)[nH]1 ZINC000884458687 591941292 /nfs/dbraw/zinc/94/12/92/591941292.db2.gz LORFJKGUMCEHPO-HTQZYQBOSA-N 1 0 218.260 0.448 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCSC1 ZINC000134824088 591953506 /nfs/dbraw/zinc/95/35/06/591953506.db2.gz QQHKNHHHUKABGI-SECBINFHSA-N 1 0 214.334 0.774 20 30 BCEDRO NC(=[NH2+])NCCc1cc2ccccc2[nH]1 ZINC000216047436 592008768 /nfs/dbraw/zinc/00/87/68/592008768.db2.gz CJGAAIKMEFDTND-UHFFFAOYSA-N 1 0 202.261 0.984 20 30 BCEDRO Cc1nc(NCC[N@H+](C)CCO)ccc1C#N ZINC000884825081 592022734 /nfs/dbraw/zinc/02/27/34/592022734.db2.gz DFLFXXGOCREBNK-UHFFFAOYSA-N 1 0 234.303 0.598 20 30 BCEDRO C#Cc1cccnc1NCC[N@H+](C)CCO ZINC000884825417 592023958 /nfs/dbraw/zinc/02/39/58/592023958.db2.gz VSMPIQVQQQYVJV-UHFFFAOYSA-N 1 0 219.288 0.399 20 30 BCEDRO C[N@H+](CCO)C[C@@H](O)CC1(C#N)CCC1 ZINC000885948776 592110720 /nfs/dbraw/zinc/11/07/20/592110720.db2.gz FGJROWWFHBUNII-JTQLQIEISA-N 1 0 212.293 0.355 20 30 BCEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@H](O)C2)CCC1 ZINC000885943817 592112136 /nfs/dbraw/zinc/11/21/36/592112136.db2.gz DBCWEFHNLBPIET-RYUDHWBXSA-N 1 0 238.331 0.888 20 30 BCEDRO N#CC1(C[C@H](O)C[N@H+]2CCC[C@H]2CO)CCC1 ZINC000885988202 592122652 /nfs/dbraw/zinc/12/26/52/592122652.db2.gz GHEVSZZPMHWABF-RYUDHWBXSA-N 1 0 238.331 0.888 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cnnn2CC)C1 ZINC000886209761 592176938 /nfs/dbraw/zinc/17/69/38/592176938.db2.gz UODKARIERYJWAZ-LBPRGKRZSA-N 1 0 247.346 0.485 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cn(C)cn2)C1 ZINC000886211197 592177280 /nfs/dbraw/zinc/17/72/80/592177280.db2.gz KWWVMEIWFDRDTL-GFCCVEGCSA-N 1 0 232.331 0.607 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000886211769 592177373 /nfs/dbraw/zinc/17/73/73/592177373.db2.gz XLVOLTRXZZTQFP-NSHDSACASA-N 1 0 233.319 0.002 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cncn2C)C1 ZINC000886212949 592177541 /nfs/dbraw/zinc/17/75/41/592177541.db2.gz IQHJOVCPIJALMP-GFCCVEGCSA-N 1 0 232.331 0.607 20 30 BCEDRO CC1(C#N)CCC([NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000886247029 592185318 /nfs/dbraw/zinc/18/53/18/592185318.db2.gz FCIUFBPRAKZHAH-GBRWGWLFSA-N 1 0 238.331 0.933 20 30 BCEDRO CC(C)(CCC#N)C[NH2+]CCN1CCNC1=O ZINC000886323858 592208436 /nfs/dbraw/zinc/20/84/36/592208436.db2.gz NIRRKNZAOPLMRR-UHFFFAOYSA-N 1 0 238.335 0.931 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886329626 592209985 /nfs/dbraw/zinc/20/99/85/592209985.db2.gz GYJFNBLDIXHPOW-LPEHRKFASA-N 1 0 237.303 0.338 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886336392 592211639 /nfs/dbraw/zinc/21/16/39/592211639.db2.gz QOONGKIQFURDDB-UTUOFQBUSA-N 1 0 235.331 0.946 20 30 BCEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346100 592212963 /nfs/dbraw/zinc/21/29/63/592212963.db2.gz AQLWALAVHJFLAW-GARJFASQSA-N 1 0 233.315 0.889 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000886356053 592216070 /nfs/dbraw/zinc/21/60/70/592216070.db2.gz SNDNBTXSYHUKSF-OLZOCXBDSA-N 1 0 233.315 0.589 20 30 BCEDRO C#CC[C@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000886357684 592216202 /nfs/dbraw/zinc/21/62/02/592216202.db2.gz KGLAWPCVJFQEHC-ZDUSSCGKSA-N 1 0 222.332 0.664 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000886358660 592217052 /nfs/dbraw/zinc/21/70/52/592217052.db2.gz ZDWJOBZOWKAZAS-MNOVXSKESA-N 1 0 206.289 0.562 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCC(=O)N(C)OC)C1 ZINC000886364449 592218696 /nfs/dbraw/zinc/21/86/96/592218696.db2.gz ZXNXRMWDPHMXQY-NSHDSACASA-N 1 0 224.304 0.742 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@](C)(O)C(=O)OCC)C1 ZINC000886363990 592218833 /nfs/dbraw/zinc/21/88/33/592218833.db2.gz LPTNRBVTGVCVRB-WCQYABFASA-N 1 0 239.315 0.646 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCc2nnnn2C)C1 ZINC000886365408 592219533 /nfs/dbraw/zinc/21/95/33/592219533.db2.gz HQSZMYOEOSWRSO-JTQLQIEISA-N 1 0 219.292 0.098 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCN2C(=O)N[C@@H](C)C2=O)C1 ZINC000886365736 592219925 /nfs/dbraw/zinc/21/99/25/592219925.db2.gz ONTOKFUQZLSLTL-WDEREUQCSA-N 1 0 249.314 0.272 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000886365832 592220077 /nfs/dbraw/zinc/22/00/77/592220077.db2.gz QOQACVCQSQWYJB-LLVKDONJSA-N 1 0 244.360 0.223 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886571674 592263244 /nfs/dbraw/zinc/26/32/44/592263244.db2.gz DKZXRKMGUDZXHJ-USZNOCQGSA-N 1 0 239.315 0.807 20 30 BCEDRO C#CCN(C(=O)C1CC(=O)C1)C1CC[NH+](C)CC1 ZINC000886579133 592267638 /nfs/dbraw/zinc/26/76/38/592267638.db2.gz ZKIKUVYWASBSJN-UHFFFAOYSA-N 1 0 248.326 0.522 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886587597 592269221 /nfs/dbraw/zinc/26/92/21/592269221.db2.gz BKJNQMWSPUGFIR-HBNTYKKESA-N 1 0 227.304 0.855 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000886587595 592269410 /nfs/dbraw/zinc/26/94/10/592269410.db2.gz BKJNQMWSPUGFIR-GARJFASQSA-N 1 0 227.304 0.855 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886580216 592269492 /nfs/dbraw/zinc/26/94/92/592269492.db2.gz ADKVCCYPFWGJCQ-NXEZZACHSA-N 1 0 240.303 0.220 20 30 BCEDRO CON=CC(=O)N1CC[N@H+](C)C[C@@H]1CC(C)C ZINC000886597404 592272043 /nfs/dbraw/zinc/27/20/43/592272043.db2.gz DAPMEANPCMGOJP-NSHDSACASA-N 1 0 241.335 0.807 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886636641 592285164 /nfs/dbraw/zinc/28/51/64/592285164.db2.gz ROAHQBUGKZZUSE-CHWSQXEVSA-N 1 0 223.316 0.873 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000886661179 592292837 /nfs/dbraw/zinc/29/28/37/592292837.db2.gz ONYWWCFKGVAEER-QWHCGFSZSA-N 1 0 222.332 0.853 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCCOC2)C1 ZINC000886661180 592293223 /nfs/dbraw/zinc/29/32/23/592293223.db2.gz ONYWWCFKGVAEER-STQMWFEESA-N 1 0 222.332 0.853 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C2CCC(O)CC2)C1 ZINC000886662566 592294484 /nfs/dbraw/zinc/29/44/84/592294484.db2.gz GZSIAENOPVMBFB-MOKVOYLWSA-N 1 0 236.359 0.977 20 30 BCEDRO C=C(C)CC[NH+]1CCC(O)(COCCO)CC1 ZINC000886749339 592316766 /nfs/dbraw/zinc/31/67/66/592316766.db2.gz PWQFEDJFJANNFX-UHFFFAOYSA-N 1 0 243.347 0.788 20 30 BCEDRO C#CCOCC[NH2+]C1(CC#C)CCOCC1 ZINC000887120335 592444837 /nfs/dbraw/zinc/44/48/37/592444837.db2.gz CLXYVBMFSDCPJZ-UHFFFAOYSA-N 1 0 221.300 0.798 20 30 BCEDRO C#CCC1([NH2+]C[C@H](O)COC)CCOCC1 ZINC000887121970 592446768 /nfs/dbraw/zinc/44/67/68/592446768.db2.gz FLBFQGKJWHDMSG-NSHDSACASA-N 1 0 227.304 0.156 20 30 BCEDRO CNC(NC[C@@H](O)Cc1ccccc1F)=[NH+]C ZINC000887324166 592480934 /nfs/dbraw/zinc/48/09/34/592480934.db2.gz UIJIECRPLONXPO-JTQLQIEISA-N 1 0 239.294 0.524 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=[NH2+])NCC1CC1 ZINC000887360730 592490650 /nfs/dbraw/zinc/49/06/50/592490650.db2.gz UIOJXIZKAQDUCH-UHFFFAOYSA-N 1 0 222.336 0.465 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NCC(F)F)nn1 ZINC000887361865 592491343 /nfs/dbraw/zinc/49/13/43/592491343.db2.gz MGQXYZUFGXNYNQ-UHFFFAOYSA-N 1 0 244.249 0.343 20 30 BCEDRO C[C@@H]1OCC[C@]1(C)[NH2+]CC(=O)NCCC#N ZINC000300371470 592509078 /nfs/dbraw/zinc/50/90/78/592509078.db2.gz VGAHEVKBKYMTJY-ONGXEEELSA-N 1 0 225.292 0.173 20 30 BCEDRO C#CCN(CC)C(=O)NCC[N@H+](C)C1CC1 ZINC000264810015 592538828 /nfs/dbraw/zinc/53/88/28/592538828.db2.gz GIZWBVJCJCKOML-UHFFFAOYSA-N 1 0 223.320 0.745 20 30 BCEDRO C[C@@]1(C#N)CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000887680234 592541131 /nfs/dbraw/zinc/54/11/31/592541131.db2.gz ARERZAPCORKJSM-GFCCVEGCSA-N 1 0 237.303 0.223 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000302337906 592546419 /nfs/dbraw/zinc/54/64/19/592546419.db2.gz HCBNBEJNKRSXTJ-MXWKQRLJSA-N 1 0 239.319 0.501 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000302337902 592547025 /nfs/dbraw/zinc/54/70/25/592547025.db2.gz HCBNBEJNKRSXTJ-GMTAPVOTSA-N 1 0 239.319 0.501 20 30 BCEDRO CC#CC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887927839 592559941 /nfs/dbraw/zinc/55/99/41/592559941.db2.gz LKAMOMSFJNFQAR-CMPLNLGQSA-N 1 0 206.289 0.420 20 30 BCEDRO C[C@H](C(=O)NCc1nc(C#N)cs1)[NH+](C)C ZINC000887976925 592564553 /nfs/dbraw/zinc/56/45/53/592564553.db2.gz YDFUJXVSPBTSKY-SSDOTTSWSA-N 1 0 238.316 0.581 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H]1CO ZINC000889160566 592586762 /nfs/dbraw/zinc/58/67/62/592586762.db2.gz YLPFTYCIGXSOJK-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO C#CC[C@H]1CCN(C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000889181307 592587193 /nfs/dbraw/zinc/58/71/93/592587193.db2.gz WOYCLHZSZAIJJG-RYUDHWBXSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@H]1CC[N@@H+]1CC ZINC000890071446 592676586 /nfs/dbraw/zinc/67/65/86/592676586.db2.gz XMVYGZSEWHOIRH-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO C=CCN1CC[N@@H+](CCC(=O)OC)C[C@@H]1C ZINC000182099439 592705532 /nfs/dbraw/zinc/70/55/32/592705532.db2.gz HQEVRDGPPRVQIO-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCn1cc(CN[C@@H]2C[C@@H]([NH3+])C23CCC3)nn1 ZINC000925708025 634398398 /nfs/dbraw/zinc/39/83/98/634398398.db2.gz QSJCLEGBXGKBIM-VXGBXAGGSA-N 1 0 247.346 0.824 20 30 BCEDRO C=CC[N@@H+]1C[C@H](NC(=O)c2cn[nH]n2)C(C)(C)C1 ZINC000974796663 634406361 /nfs/dbraw/zinc/40/63/61/634406361.db2.gz YTBQGGJHYBTUAG-JTQLQIEISA-N 1 0 249.318 0.431 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001027329904 634478752 /nfs/dbraw/zinc/47/87/52/634478752.db2.gz FDDHRAWWYGGZHB-WDEREUQCSA-N 1 0 239.319 0.061 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001027781226 635148624 /nfs/dbraw/zinc/14/86/24/635148624.db2.gz GNNDJQNIGOLDRF-NWDGAFQWSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001027404564 634509324 /nfs/dbraw/zinc/50/93/24/634509324.db2.gz CJGFNIVNXUZHLH-LLVKDONJSA-N 1 0 246.314 0.579 20 30 BCEDRO C=CCOCC[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000893475692 634522863 /nfs/dbraw/zinc/52/28/63/634522863.db2.gz QGLBQSNQAPHWSZ-QJPTWQEYSA-N 1 0 229.320 0.971 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C(=C)CC[NH+](C)C ZINC000909373592 634533898 /nfs/dbraw/zinc/53/38/98/634533898.db2.gz AVXAYRPSSHBUTL-GFCCVEGCSA-N 1 0 240.347 0.938 20 30 BCEDRO C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(C)=O)[C@@H]2C1 ZINC000977702436 634556115 /nfs/dbraw/zinc/55/61/15/634556115.db2.gz BVTCUKVLOZUKHA-CNDDSTCGSA-N 1 0 206.289 0.324 20 30 BCEDRO C=C(CC)CNC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000909387766 634589615 /nfs/dbraw/zinc/58/96/15/634589615.db2.gz PMBPGPJRJBYEDZ-PWSUYJOCSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001027621212 634594979 /nfs/dbraw/zinc/59/49/79/634594979.db2.gz ADKWZZYSIMFJNX-JTQLQIEISA-N 1 0 248.286 0.239 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](O)C1CCC1 ZINC000909393074 634602889 /nfs/dbraw/zinc/60/28/89/634602889.db2.gz NQYXVZKSTSHIOX-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)(F)F)C1 ZINC001009857223 634605328 /nfs/dbraw/zinc/60/53/28/634605328.db2.gz MHMBBLAADUZWDC-SECBINFHSA-N 1 0 230.258 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)C(F)F)C1 ZINC000980835960 635285727 /nfs/dbraw/zinc/28/57/27/635285727.db2.gz GTZMEUAWNNGSBE-IUCAKERBSA-N 1 0 230.258 0.902 20 30 BCEDRO C#CCNC(=O)C[N@H+]1[C@H](C)CCC[C@@H]1C ZINC000066531495 635473037 /nfs/dbraw/zinc/47/30/37/635473037.db2.gz ZGILTDBTSKGVMS-PHIMTYICSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cccnn1 ZINC001028221484 635502621 /nfs/dbraw/zinc/50/26/21/635502621.db2.gz KPUKYLQCNMBJNV-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO Cc1ccc(CCNC(=[NH2+])N(C)C)cn1 ZINC000178564967 635507085 /nfs/dbraw/zinc/50/70/85/635507085.db2.gz BDWOCJSNYGNFIP-UHFFFAOYSA-N 1 0 206.293 0.809 20 30 BCEDRO CCOCCCNC(=[NH2+])NCC1(C)COC1 ZINC000178574949 635525992 /nfs/dbraw/zinc/52/59/92/635525992.db2.gz MLHVJMJDFPDFEP-UHFFFAOYSA-N 1 0 229.324 0.354 20 30 BCEDRO CC1(C#N)CCC([NH2+][C@H]2CNOC2)CC1 ZINC000925864911 635565292 /nfs/dbraw/zinc/56/52/92/635565292.db2.gz COJCUVBPFKLWOL-YVNMAJEFSA-N 1 0 209.293 0.952 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2nnn(C)c2C)C1 ZINC001010413863 635610930 /nfs/dbraw/zinc/61/09/30/635610930.db2.gz VYFHYGYFBAWIBG-SNVBAGLBSA-N 1 0 249.318 0.114 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000971482892 631264149 /nfs/dbraw/zinc/26/41/49/631264149.db2.gz XOMZJFVUJRKSPN-VXGBXAGGSA-N 1 0 238.331 0.169 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971512768 631288033 /nfs/dbraw/zinc/28/80/33/631288033.db2.gz GGTWBGPNGLRQRX-CYBMUJFWSA-N 1 0 230.311 0.566 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC001022317219 631478684 /nfs/dbraw/zinc/47/86/84/631478684.db2.gz HUOSELRBNUGMCX-KXNHARMFSA-N 1 0 236.315 0.281 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933753989 631505407 /nfs/dbraw/zinc/50/54/07/631505407.db2.gz XCNSLPCSZXDIIO-LOWVWBTDSA-N 1 0 238.331 0.511 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cn(C)nc1C ZINC000779804242 631547516 /nfs/dbraw/zinc/54/75/16/631547516.db2.gz CDINDJUZCVCPDD-ZETCQYMHSA-N 1 0 234.307 0.390 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H](C)CO2)C1 ZINC001022455863 631569513 /nfs/dbraw/zinc/56/95/13/631569513.db2.gz AARYRKGAZHELPC-WISYIIOYSA-N 1 0 238.331 0.834 20 30 BCEDRO [NH2+]=C(NCCNC(=O)C1CC1)NCC1CCC1 ZINC000303773763 635644222 /nfs/dbraw/zinc/64/42/22/635644222.db2.gz FLIIQAXUOIUMML-UHFFFAOYSA-N 1 0 238.335 0.217 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ccco2)C1 ZINC001028372407 635662843 /nfs/dbraw/zinc/66/28/43/635662843.db2.gz XVTBDDHSLYIOPD-LLVKDONJSA-N 1 0 232.283 0.965 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccccn2)C1 ZINC001028363404 635662873 /nfs/dbraw/zinc/66/28/73/635662873.db2.gz RRGMWLMZWUOGPD-LBPRGKRZSA-N 1 0 243.310 0.767 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ncoc2C)C1 ZINC001028428029 635669474 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631675066 /nfs/dbraw/zinc/67/50/66/631675066.db2.gz IEKHGWHRCFYNPO-UTLUCORTSA-N 1 0 210.277 0.021 20 30 BCEDRO CC(C)[C@H](CCO)[NH2+]CCO[C@@H](C)C#N ZINC000308828881 631675847 /nfs/dbraw/zinc/67/58/47/631675847.db2.gz SLKZOKKIHJXFEF-QWRGUYRKSA-N 1 0 214.309 0.912 20 30 BCEDRO C=CC[C@H](CO)Nc1cc(C)[nH+]c(N)n1 ZINC000308838733 631677353 /nfs/dbraw/zinc/67/73/53/631677353.db2.gz MJTQSIUFHPFOJF-MRVPVSSYSA-N 1 0 208.265 0.716 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2csc(C)n2)C1 ZINC001022592917 631717621 /nfs/dbraw/zinc/71/76/21/631717621.db2.gz DQWQUDILWCEWFO-AOOOYVTPSA-N 1 0 249.339 0.935 20 30 BCEDRO N#CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934256210 631749502 /nfs/dbraw/zinc/74/95/02/631749502.db2.gz PYJXAVGKYDYHHQ-WDEREUQCSA-N 1 0 209.293 0.041 20 30 BCEDRO C=C1CC(C)(C(=O)N[C@H]2C[C@@H]([NH2+]CCO)C2)C1 ZINC001022679810 631758123 /nfs/dbraw/zinc/75/81/23/631758123.db2.gz FRBSHYSQKIVJTG-PHIMTYICSA-N 1 0 238.331 0.572 20 30 BCEDRO C#Cc1cncc(C(=O)N[C@H]2C[C@@H]([NH2+]CC)C2)c1 ZINC001022685519 631760611 /nfs/dbraw/zinc/76/06/11/631760611.db2.gz SCVVQFGJLFAOLU-BETUJISGSA-N 1 0 243.310 0.933 20 30 BCEDRO C#CCNC(=O)C[N@H+](CC)C[C@@H]1CCCO1 ZINC000051555967 631804420 /nfs/dbraw/zinc/80/44/20/631804420.db2.gz ARSNXDQIXDIRLA-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#C[C@@H](C)[NH2+]C1CCN(C(=O)CC)CC1 ZINC000309050344 631824944 /nfs/dbraw/zinc/82/49/44/631824944.db2.gz QTNFXPLOKZLRAS-SNVBAGLBSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001022728342 631834584 /nfs/dbraw/zinc/83/45/84/631834584.db2.gz OXTGYLHRBUQXEO-WYUUTHIRSA-N 1 0 238.331 0.834 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@](C)(O)C(=O)OCC ZINC000934460814 631849717 /nfs/dbraw/zinc/84/97/17/631849717.db2.gz JVRJZHFIAQSRIB-PWSUYJOCSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@H]1CC[N@@H+]1CCN1CCCS1(=O)=O ZINC000934461728 631858213 /nfs/dbraw/zinc/85/82/13/631858213.db2.gz TYOLJGODEQQXDS-NSHDSACASA-N 1 0 244.360 0.672 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CC(=O)NC(=O)NC ZINC000934472367 631866425 /nfs/dbraw/zinc/86/64/25/631866425.db2.gz MQTDZWYENHTHCI-MRVPVSSYSA-N 1 0 211.265 0.092 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC(N)=O ZINC000934473504 631867460 /nfs/dbraw/zinc/86/74/60/631867460.db2.gz WTVWVRXQEJKZNE-YUMQZZPRSA-N 1 0 211.265 0.220 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1CCCS(N)(=O)=O ZINC000934512175 631894050 /nfs/dbraw/zinc/89/40/50/631894050.db2.gz FKJKGHLUPYBZBW-JTQLQIEISA-N 1 0 230.333 0.153 20 30 BCEDRO C#C[C@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000934512064 631895680 /nfs/dbraw/zinc/89/56/80/631895680.db2.gz YPGZBYBVMIUKTH-NSHDSACASA-N 1 0 204.277 0.766 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1C[C@H]1CNC(=O)C1 ZINC000934515062 631896454 /nfs/dbraw/zinc/89/64/54/631896454.db2.gz GKKPLKOWLVVSIB-MNOVXSKESA-N 1 0 206.289 0.610 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1C[C@@H]1CNC(=O)C1 ZINC000934515064 631897702 /nfs/dbraw/zinc/89/77/02/631897702.db2.gz GKKPLKOWLVVSIB-WDEREUQCSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001022890882 632034292 /nfs/dbraw/zinc/03/42/92/632034292.db2.gz LBXJMRLAXRTWAF-LOWVWBTDSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC)nn2)C1 ZINC001022902954 632042581 /nfs/dbraw/zinc/04/25/81/632042581.db2.gz ALSHCRRNETXMGS-AOOOYVTPSA-N 1 0 249.318 0.334 20 30 BCEDRO C[NH+](C)C[C@H](O)CNc1ccncc1C#N ZINC000309429568 632046473 /nfs/dbraw/zinc/04/64/73/632046473.db2.gz FWQHMGPCGGAKON-SNVBAGLBSA-N 1 0 220.276 0.288 20 30 BCEDRO C=CCCN1CC[NH2+]C[C@H]1c1nccn1C ZINC000261724156 635701350 /nfs/dbraw/zinc/70/13/50/635701350.db2.gz IRVIQSQEZZRGHK-NSHDSACASA-N 1 0 220.320 0.943 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)C2=CCOCC2)C1 ZINC001028498637 635703419 /nfs/dbraw/zinc/70/34/19/635703419.db2.gz SMCOZTQRLYLJAN-GFCCVEGCSA-N 1 0 248.326 0.404 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000309465424 632098740 /nfs/dbraw/zinc/09/87/40/632098740.db2.gz PTSDKWZWQNNGPD-QWRGUYRKSA-N 1 0 247.360 0.744 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCc2cn[nH]c2)CC1 ZINC000600738177 635806924 /nfs/dbraw/zinc/80/69/24/635806924.db2.gz DTFDUQSZHIDHKC-LLVKDONJSA-N 1 0 234.303 0.597 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000972513113 632393543 /nfs/dbraw/zinc/39/35/43/632393543.db2.gz IKXFPZMUUTWNMT-NSHDSACASA-N 1 0 246.314 0.498 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001023115038 632394039 /nfs/dbraw/zinc/39/40/39/632394039.db2.gz VHNPDPHONFQVCZ-TXEJJXNPSA-N 1 0 231.299 0.427 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C1CC(OC)C1 ZINC000308915521 632427415 /nfs/dbraw/zinc/42/74/15/632427415.db2.gz FULFTYONGMDUAG-UHFFFAOYSA-N 1 0 233.333 0.354 20 30 BCEDRO CCNC(NCC(C)(C)C(=O)NC)=[NH+]CC ZINC000157361061 632428646 /nfs/dbraw/zinc/42/86/46/632428646.db2.gz KYAGWDUWLVEZQR-UHFFFAOYSA-N 1 0 228.340 0.334 20 30 BCEDRO C#C[C@H]([NH2+]CCn1cccn1)[C@@H]1CCCO1 ZINC000309582302 632550302 /nfs/dbraw/zinc/55/03/02/632550302.db2.gz SYYGIXUJARRLLR-RYUDHWBXSA-N 1 0 219.288 0.654 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000972689036 632606104 /nfs/dbraw/zinc/60/61/04/632606104.db2.gz ZIXHADGODFGQLA-SNVBAGLBSA-N 1 0 249.318 0.066 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1cn[nH]c1 ZINC000309106781 632639611 /nfs/dbraw/zinc/63/96/11/632639611.db2.gz IGCNBNVJTOTKJP-RKDXNWHRSA-N 1 0 208.265 0.989 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CCCOC ZINC000309678726 632641352 /nfs/dbraw/zinc/64/13/52/632641352.db2.gz YUBIYTDQMYRBJU-NSHDSACASA-N 1 0 249.376 0.992 20 30 BCEDRO C#CC[N@@H+]1C[C@H](NC(=O)C2CC2)C(C)(C)C1 ZINC000972721341 632647280 /nfs/dbraw/zinc/64/72/80/632647280.db2.gz NAIXHMZSXIVMEW-NSHDSACASA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000290945102 632649994 /nfs/dbraw/zinc/64/99/94/632649994.db2.gz ANTBDLGWKMUZIU-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](CC)CO ZINC000309720119 632655342 /nfs/dbraw/zinc/65/53/42/632655342.db2.gz VRWKFJQKYIIHEN-NSHDSACASA-N 1 0 226.320 0.548 20 30 BCEDRO C#CCOCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000935357725 632686628 /nfs/dbraw/zinc/68/66/28/632686628.db2.gz QQBAXKXQCHIWGC-GFCCVEGCSA-N 1 0 238.331 0.625 20 30 BCEDRO CNC(NCCCCOCCOC)=[NH+]C ZINC000161537191 632830408 /nfs/dbraw/zinc/83/04/08/632830408.db2.gz AIMVCGLONWKZMW-UHFFFAOYSA-N 1 0 217.313 0.224 20 30 BCEDRO CO[C@H](CNC(=[NH2+])N(C)C)C(C)(C)C ZINC000177677514 632859486 /nfs/dbraw/zinc/85/94/86/632859486.db2.gz JZAPRBXICPVSNK-MRVPVSSYSA-N 1 0 201.314 0.924 20 30 BCEDRO C[N@@H+]1CC[C@@]2(CCN(CCOCCC#N)C2)C1 ZINC000339213099 635838028 /nfs/dbraw/zinc/83/80/28/635838028.db2.gz POUGQPZYKSOAPV-CYBMUJFWSA-N 1 0 237.347 0.944 20 30 BCEDRO C[N@@H+]1CC[C@]2(CCN(CCOCCC#N)C2)C1 ZINC000339213100 635838089 /nfs/dbraw/zinc/83/80/89/635838089.db2.gz POUGQPZYKSOAPV-ZDUSSCGKSA-N 1 0 237.347 0.944 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](CNC(=O)c2cnon2)C1 ZINC001028883207 635843945 /nfs/dbraw/zinc/84/39/45/635843945.db2.gz NBDKRPPPGKCMEZ-SNVBAGLBSA-N 1 0 248.286 0.145 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cccnn2)C1 ZINC001028889292 635844215 /nfs/dbraw/zinc/84/42/15/635844215.db2.gz SUENAXWZSLPODQ-NSHDSACASA-N 1 0 246.314 0.714 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2oncc2C)C1 ZINC001028903181 635847387 /nfs/dbraw/zinc/84/73/87/635847387.db2.gz NVAYQYLQJYGSJP-NSHDSACASA-N 1 0 247.298 0.668 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC001028981249 635860712 /nfs/dbraw/zinc/86/07/12/635860712.db2.gz BVJVTQZXSGGERK-NSHDSACASA-N 1 0 246.314 0.105 20 30 BCEDRO CC[NH+](CC)[C@@H](C)CNC(=O)NCC#CCO ZINC000923786791 632953694 /nfs/dbraw/zinc/95/36/94/632953694.db2.gz YSUNXNPWLNQRQR-NSHDSACASA-N 1 0 241.335 0.012 20 30 BCEDRO C#CCCC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC000229831138 632992802 /nfs/dbraw/zinc/99/28/02/632992802.db2.gz KSVMTNQYRUTGPQ-NEPJUHHUSA-N 1 0 229.320 0.402 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000300934321 633044944 /nfs/dbraw/zinc/04/49/44/633044944.db2.gz RJOKVUREYIBADG-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CCCCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000841860907 635896338 /nfs/dbraw/zinc/89/63/38/635896338.db2.gz QSBZFJJOIXMDAH-SNVBAGLBSA-N 1 0 209.293 0.451 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CC=CC2)C1 ZINC001018655154 633114214 /nfs/dbraw/zinc/11/42/14/633114214.db2.gz YYMIVPBCZJRFAJ-LBPRGKRZSA-N 1 0 218.300 0.776 20 30 BCEDRO CC(=O)NCCCNC(=[NH2+])NCC1CCC1 ZINC000170904960 633177395 /nfs/dbraw/zinc/17/73/95/633177395.db2.gz OSQKDLNOYSOTFL-UHFFFAOYSA-N 1 0 226.324 0.217 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@H]1CCCOC1 ZINC000327959597 633199001 /nfs/dbraw/zinc/19/90/01/633199001.db2.gz CETYLVJXKOYBBQ-CYBMUJFWSA-N 1 0 224.348 0.958 20 30 BCEDRO CC[NH+]=C(NCC(=O)NC(C)C)NC(C)(C)C ZINC000171607524 633203557 /nfs/dbraw/zinc/20/35/57/633203557.db2.gz XHIAJJYMAFSCCK-UHFFFAOYSA-N 1 0 242.367 0.865 20 30 BCEDRO C#C[C@H]([NH2+]CCC1OCCO1)[C@@H]1CCCO1 ZINC000309585828 633207953 /nfs/dbraw/zinc/20/79/53/633207953.db2.gz VMKHSHMAHAKYPX-QWRGUYRKSA-N 1 0 225.288 0.520 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]CCC(=O)NC ZINC000044988821 635922273 /nfs/dbraw/zinc/92/22/73/635922273.db2.gz PETQLFIIONCMIK-UHFFFAOYSA-N 1 0 246.310 0.924 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309671276 633220920 /nfs/dbraw/zinc/22/09/20/633220920.db2.gz JXEMNGOUJPUIMC-GHMZBOCLSA-N 1 0 242.344 0.869 20 30 BCEDRO CO[C@@H]1C[N@H+](CCO[C@@H](C)C#N)C[C@@H]1OC ZINC000304220638 635936334 /nfs/dbraw/zinc/93/63/34/635936334.db2.gz HMPBBLJJVIZXPK-GARJFASQSA-N 1 0 228.292 0.261 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928557963 636097765 /nfs/dbraw/zinc/09/77/65/636097765.db2.gz VSURWDPRSGTVOT-GXSJLCMTSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928557966 636098792 /nfs/dbraw/zinc/09/87/92/636098792.db2.gz VSURWDPRSGTVOT-ONGXEEELSA-N 1 0 212.293 0.134 20 30 BCEDRO C[C@@H]1CSC[C@@H]1[NH2+][C@H]1CCCN(O)C1=O ZINC000895158440 636100655 /nfs/dbraw/zinc/10/06/55/636100655.db2.gz IPWXFICZXGXSBQ-VGMNWLOBSA-N 1 0 230.333 0.708 20 30 BCEDRO C[C@@H]1CSC[C@H]1[NH2+][C@H]1CCCN(O)C1=O ZINC000895158438 636101588 /nfs/dbraw/zinc/10/15/88/636101588.db2.gz IPWXFICZXGXSBQ-HRDYMLBCSA-N 1 0 230.333 0.708 20 30 BCEDRO O=C1[C@@H]([NH2+][C@@H]2CCSC2)CCCN1O ZINC000895163591 636109121 /nfs/dbraw/zinc/10/91/21/636109121.db2.gz WDEJAPBRIXWORI-SFYZADRCSA-N 1 0 216.306 0.462 20 30 BCEDRO O=C1[C@@H]([NH2+]CC2=CCCOC2)CCCN1O ZINC000895167209 636112742 /nfs/dbraw/zinc/11/27/42/636112742.db2.gz VQBOPZGJZRSPRW-JTQLQIEISA-N 1 0 226.276 0.303 20 30 BCEDRO C#C[C@H]1COCCN1C[C@@H](O)C[N@@H+](C)C(C)C ZINC000852162582 633726008 /nfs/dbraw/zinc/72/60/08/633726008.db2.gz NGVSKZGOIYUFMF-STQMWFEESA-N 1 0 240.347 0.022 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000926864860 633731756 /nfs/dbraw/zinc/73/17/56/633731756.db2.gz PJRFQPAHSBCYOL-QJPTWQEYSA-N 1 0 240.347 0.960 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1OCC ZINC001025689072 633746586 /nfs/dbraw/zinc/74/65/86/633746586.db2.gz LONPRKXBLOEZRY-LBELIVKGSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccn2)C1 ZINC001019931393 633798263 /nfs/dbraw/zinc/79/82/63/633798263.db2.gz PNIINOZAOKHPGX-XYPYZODXSA-N 1 0 229.283 0.565 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001019997759 633803145 /nfs/dbraw/zinc/80/31/45/633803145.db2.gz VEQIJLXISHMQKG-SRVKXCTJSA-N 1 0 248.330 0.867 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2=CCOCC2)C1 ZINC001020096150 633808613 /nfs/dbraw/zinc/80/86/13/633808613.db2.gz PIBFUFJGHDYHOE-HAQNSBGRSA-N 1 0 234.299 0.203 20 30 BCEDRO CC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001020091200 633809402 /nfs/dbraw/zinc/80/94/02/633809402.db2.gz JGIVJENWNVCDFZ-MGCOHNPYSA-N 1 0 232.287 0.757 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C)nn2)C1 ZINC001020137975 633813022 /nfs/dbraw/zinc/81/30/22/633813022.db2.gz OBLGSFWGRCGKTH-XYPYZODXSA-N 1 0 244.298 0.269 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC001020319854 633814238 /nfs/dbraw/zinc/81/42/38/633814238.db2.gz XXSKBJYKSIPBFZ-WRWGMCAJSA-N 1 0 238.331 0.834 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1CCO ZINC000308862558 633824124 /nfs/dbraw/zinc/82/41/24/633824124.db2.gz KBGYYNGNJUPNLI-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(F)F)C[C@H]12 ZINC001026162953 633866769 /nfs/dbraw/zinc/86/67/69/633866769.db2.gz JXFGRBRXXMBTEF-KXUCPTDWSA-N 1 0 242.269 0.711 20 30 BCEDRO C#CCNC(=O)C[NH+]1C[C@@H]2CCCC[C@H]2C1 ZINC000309890023 633909121 /nfs/dbraw/zinc/90/91/21/633909121.db2.gz DGULKLBPQITBKZ-RYUDHWBXSA-N 1 0 220.316 0.858 20 30 BCEDRO CN(C(=[NH2+])NC[C@@H]1CCCOC1)C1CC1 ZINC000181466859 633917168 /nfs/dbraw/zinc/91/71/68/633917168.db2.gz UQQOPSZOYMBEAQ-VIFPVBQESA-N 1 0 211.309 0.822 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000309536349 633949757 /nfs/dbraw/zinc/94/97/57/633949757.db2.gz FEAIFMKZIAWSRH-ONGXEEELSA-N 1 0 226.320 0.428 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000309568313 633957399 /nfs/dbraw/zinc/95/73/99/633957399.db2.gz MYHWPPQXUBKMCX-WDEREUQCSA-N 1 0 224.304 0.141 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@@H](CC(=O)OC)C1CC1 ZINC000309581789 633959373 /nfs/dbraw/zinc/95/93/73/633959373.db2.gz QNMYSHTWHUMVBO-QWRGUYRKSA-N 1 0 227.304 0.855 20 30 BCEDRO C#CC[C@H](CO)[NH2+]CC(C)(C)N1CCOCC1 ZINC000895490090 636151015 /nfs/dbraw/zinc/15/10/15/636151015.db2.gz LRMKBOLXVIZYLE-GFCCVEGCSA-N 1 0 240.347 0.071 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000895490348 636151145 /nfs/dbraw/zinc/15/11/45/636151145.db2.gz NUEGAFHLNQHCPD-AAEUAGOBSA-N 1 0 248.326 0.995 20 30 BCEDRO CCN(C[C@H](C)C#N)C[C@H](O)C[NH+]1CCCC1 ZINC000309983038 634025571 /nfs/dbraw/zinc/02/55/71/634025571.db2.gz PLHDTWKNPCNJKJ-OLZOCXBDSA-N 1 0 239.363 0.925 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947679066 634082045 /nfs/dbraw/zinc/08/20/45/634082045.db2.gz DZSCNTNCHQAZIC-NXEZZACHSA-N 1 0 239.319 0.017 20 30 BCEDRO CCOC(C)(C)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000187120429 634097274 /nfs/dbraw/zinc/09/72/74/634097274.db2.gz GNODJCRAUCHRBN-JTQLQIEISA-N 1 0 243.351 0.885 20 30 BCEDRO C[N@H+](C[C@H](O)CN1CCC[C@@H](C#N)C1)C1CC1 ZINC000310501072 634154502 /nfs/dbraw/zinc/15/45/02/634154502.db2.gz MKBCRJFJKFKBSF-AAEUAGOBSA-N 1 0 237.347 0.677 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cn(CC)nc1C ZINC000893319207 634175575 /nfs/dbraw/zinc/17/55/75/634175575.db2.gz QTPOTSAYVIWSLH-UHFFFAOYSA-N 1 0 236.319 0.603 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931046388 634200011 /nfs/dbraw/zinc/20/00/11/634200011.db2.gz JILRGDCLTVYARI-WOPDTQHZSA-N 1 0 239.363 0.702 20 30 BCEDRO C=C(C)C[NH2+]C1CCC(NC(=O)C(N)=O)CC1 ZINC001026551119 634209557 /nfs/dbraw/zinc/20/95/57/634209557.db2.gz KWIRRNSWFDBTBV-UHFFFAOYSA-N 1 0 239.319 0.065 20 30 BCEDRO C=CCN1CC[C@@H](N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931276617 634301919 /nfs/dbraw/zinc/30/19/19/634301919.db2.gz ABHXOKCZZDXYCI-XQHKEYJVSA-N 1 0 249.358 0.265 20 30 BCEDRO CC(C)[NH2+]C[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001026729157 634308121 /nfs/dbraw/zinc/30/81/21/634308121.db2.gz WRCBZSJXUXULQO-WDEREUQCSA-N 1 0 223.320 0.993 20 30 BCEDRO CC[NH2+]C[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001026735507 634312933 /nfs/dbraw/zinc/31/29/33/634312933.db2.gz PPLOPQQNBVUVGU-ZJUUUORDSA-N 1 0 209.293 0.604 20 30 BCEDRO CC(C)(CC#N)CN[C@@H]1C[NH2+]CCOC1 ZINC000925693179 634327838 /nfs/dbraw/zinc/32/78/38/634327838.db2.gz LVRIADFLGPPXEF-SNVBAGLBSA-N 1 0 211.309 0.504 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NC[C@@H](C)COC ZINC000194691073 634331584 /nfs/dbraw/zinc/33/15/84/634331584.db2.gz YQVQFPRJHFDHFU-BDAKNGLRSA-N 1 0 201.314 0.972 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001027737591 635131019 /nfs/dbraw/zinc/13/10/19/635131019.db2.gz RZDLPKQINAGLSL-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001027768454 635142258 /nfs/dbraw/zinc/14/22/58/635142258.db2.gz WNOYKHUQHNCOOY-LLVKDONJSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnccn2)C1 ZINC001009968809 635154997 /nfs/dbraw/zinc/15/49/97/635154997.db2.gz QTWHHLWKQOEUKM-LLVKDONJSA-N 1 0 244.298 0.304 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010064712 635180370 /nfs/dbraw/zinc/18/03/70/635180370.db2.gz ZSZMYCBDNXXFCW-WDEREUQCSA-N 1 0 224.304 0.542 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000980391971 635217914 /nfs/dbraw/zinc/21/79/14/635217914.db2.gz ULEJSEBEGUGFSZ-NSHDSACASA-N 1 0 246.314 0.200 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2nonc2C)C1 ZINC000980546121 635237255 /nfs/dbraw/zinc/23/72/55/635237255.db2.gz REXSZIACJJUXJR-JTQLQIEISA-N 1 0 248.286 0.158 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ncccn2)C1 ZINC000931747538 635303741 /nfs/dbraw/zinc/30/37/41/635303741.db2.gz ADVYYXZDAPLIRE-VXGBXAGGSA-N 1 0 246.314 0.931 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661836535 635320856 /nfs/dbraw/zinc/32/08/56/635320856.db2.gz FNUADWDJLZBTRJ-ZJUUUORDSA-N 1 0 224.304 0.182 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1c[nH]nc1C ZINC001028062620 635342829 /nfs/dbraw/zinc/34/28/29/635342829.db2.gz WEOHGARZEHZJJU-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCC[C@H](NC(=O)C(N)=O)C1 ZINC000981304359 635356428 /nfs/dbraw/zinc/35/64/28/635356428.db2.gz QSTKGMUIHQTMIH-UWVGGRQHSA-N 1 0 239.319 0.065 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001028084949 635357693 /nfs/dbraw/zinc/35/76/93/635357693.db2.gz AWEGOUNQRSUZHM-NDBYEHHHSA-N 1 0 248.326 0.093 20 30 BCEDRO C=CC[N@H+]1CCCC2(CN(C(=O)COC)C2)C1 ZINC000981559588 635367629 /nfs/dbraw/zinc/36/76/29/635367629.db2.gz MQVLHEUNSGUBNR-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001010341408 635380389 /nfs/dbraw/zinc/38/03/89/635380389.db2.gz DLKJXXXGKLCFRG-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001028210532 635476970 /nfs/dbraw/zinc/47/69/70/635476970.db2.gz CRMWDRGIJSHDQH-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO C#CC[NH+]1CC[C@H](CNC(=O)c2n[nH]cc2C)C1 ZINC001028527801 635721410 /nfs/dbraw/zinc/72/14/10/635721410.db2.gz WUEWTXFETMXYGB-LLVKDONJSA-N 1 0 246.314 0.403 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2cncn2C)C1 ZINC001028665590 635780186 /nfs/dbraw/zinc/78/01/86/635780186.db2.gz MFZRWVJRMNJBJF-LLVKDONJSA-N 1 0 248.330 0.658 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2[nH]nnc2C)C1 ZINC001028728511 635808606 /nfs/dbraw/zinc/80/86/06/635808606.db2.gz VAXUWAMBWDEGEQ-JTQLQIEISA-N 1 0 249.318 0.351 20 30 BCEDRO C=C(Cl)CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896453437 636193388 /nfs/dbraw/zinc/19/33/88/636193388.db2.gz UFRHNUODMBVVEO-SNVBAGLBSA-N 1 0 244.722 0.576 20 30 BCEDRO C[C@@H]1C[C@@H](NC(=O)NCCC#N)CC[N@@H+]1C ZINC000336468133 636252383 /nfs/dbraw/zinc/25/23/83/636252383.db2.gz JYSGKDVONKUHFL-ZJUUUORDSA-N 1 0 224.308 0.682 20 30 BCEDRO C#CC[N@@H+](C)C1CCN(C(=O)[C@H](C)OC)CC1 ZINC000985307871 636276873 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ZINC000986054327 636481628 /nfs/dbraw/zinc/48/16/28/636481628.db2.gz ZKEJIAXXUWZRGF-YPMHNXCESA-N 1 0 248.326 0.893 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2=COCCC2)[C@H]1C ZINC000986054324 636481786 /nfs/dbraw/zinc/48/17/86/636481786.db2.gz ZKEJIAXXUWZRGF-AAEUAGOBSA-N 1 0 248.326 0.893 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2ccon2)[C@@H]1C ZINC000986058587 636483351 /nfs/dbraw/zinc/48/33/51/636483351.db2.gz UEMBTDFLDWGHKN-ZYHUDNBSSA-N 1 0 247.298 0.429 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1C ZINC000986087243 636496144 /nfs/dbraw/zinc/49/61/44/636496144.db2.gz XIGZNQCHRQLXEN-CMPLNLGQSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)[C@H]1C ZINC000986244811 636548397 /nfs/dbraw/zinc/54/83/97/636548397.db2.gz OHFDGLGWTNJBBR-VHSXEESVSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)[C@H]1C ZINC000986256797 636549820 /nfs/dbraw/zinc/54/98/20/636549820.db2.gz JNDBOKPDYQFCST-UWVGGRQHSA-N 1 0 232.287 0.236 20 30 BCEDRO CC[NH2+][C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1C ZINC000986284735 636551386 /nfs/dbraw/zinc/55/13/86/636551386.db2.gz DMRKRGWMUPFTFZ-PWSUYJOCSA-N 1 0 220.316 0.999 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)[C@@H]1C ZINC000986453494 636555789 /nfs/dbraw/zinc/55/57/89/636555789.db2.gz AXDPJHVUDIVLST-RKDXNWHRSA-N 1 0 235.291 0.183 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1cnn(C)n1 ZINC000321085215 636562290 /nfs/dbraw/zinc/56/22/90/636562290.db2.gz IVSXYOVLLPTFKA-VIFPVBQESA-N 1 0 210.281 0.232 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnco2)[C@@H]1C ZINC000986615065 636579870 /nfs/dbraw/zinc/57/98/70/636579870.db2.gz CRIUZCUSJWSWNJ-NXEZZACHSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC000986663753 636582612 /nfs/dbraw/zinc/58/26/12/636582612.db2.gz LEUYJVYSFFSNIB-IEECTRCBSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@H]1C ZINC000986663754 636582829 /nfs/dbraw/zinc/58/28/29/636582829.db2.gz LEUYJVYSFFSNIB-KIJLLGNVSA-N 1 0 248.326 0.091 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000263168809 636635363 /nfs/dbraw/zinc/63/53/63/636635363.db2.gz RSGHLIUGEDZFOI-QWRGUYRKSA-N 1 0 223.320 0.988 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2)[C@H]1C ZINC000987606296 636654734 /nfs/dbraw/zinc/65/47/34/636654734.db2.gz WFSMVAJEHOZNIC-NWDGAFQWSA-N 1 0 248.330 0.648 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2[nH]cnc2C)[C@H]1C ZINC000987624398 636656278 /nfs/dbraw/zinc/65/62/78/636656278.db2.gz FJAUVHWYUORSPQ-WDEREUQCSA-N 1 0 246.314 0.544 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)COC)C1 ZINC000987658614 636658567 /nfs/dbraw/zinc/65/85/67/636658567.db2.gz SLTIVRHSTZHSRM-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C(C)(F)F)C1 ZINC000987741516 636665122 /nfs/dbraw/zinc/66/51/22/636665122.db2.gz DDAIVKDXBBHOAW-DTWKUNHWSA-N 1 0 230.258 0.854 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccccn2)C1 ZINC000987768051 636667726 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C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ncoc2C)C1 ZINC000988308183 636687257 /nfs/dbraw/zinc/68/72/57/636687257.db2.gz HXRHBEIHFNZRAR-KOLCDFICSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cocn2)C1 ZINC000988302842 636687507 /nfs/dbraw/zinc/68/75/07/636687507.db2.gz LLFQIRHBRSOBJG-UWVGGRQHSA-N 1 0 233.271 0.500 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2ccon2)C1 ZINC000988388293 636700315 /nfs/dbraw/zinc/70/03/15/636700315.db2.gz CZUDIZXSORVVRI-CMPLNLGQSA-N 1 0 249.314 0.982 20 30 BCEDRO N#Cc1cc(NCC[NH+]2CCC(O)CC2)ccn1 ZINC000321805343 636707713 /nfs/dbraw/zinc/70/77/13/636707713.db2.gz YKJTWMHCAYIBPG-UHFFFAOYSA-N 1 0 246.314 0.822 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cc[nH]n2)C1 ZINC000988442414 636713788 /nfs/dbraw/zinc/71/37/88/636713788.db2.gz YTARLYDOHOSRJE-ZYHUDNBSSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[C@H]1NC(=O)N(C[C@@H]2CCC[N@H+]2C)C1=O ZINC000925295088 636759155 /nfs/dbraw/zinc/75/91/55/636759155.db2.gz WKDSQRSJUWLDQT-VHSXEESVSA-N 1 0 235.287 0.024 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2=CCOCC2)C1 ZINC000988688457 636760715 /nfs/dbraw/zinc/76/07/15/636760715.db2.gz CQSPJVHWQLAYGU-YPMHNXCESA-N 1 0 248.326 0.545 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cn[nH]n2)C1 ZINC000989092142 636796679 /nfs/dbraw/zinc/79/66/79/636796679.db2.gz JPMXPAHCSCGMPQ-DTWKUNHWSA-N 1 0 235.291 0.183 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cn[nH]n2)C1 ZINC000989086899 636797120 /nfs/dbraw/zinc/79/71/20/636797120.db2.gz IZDAKQUWGJVQFH-VHSXEESVSA-N 1 0 249.318 0.573 20 30 BCEDRO C=CCN1CC(=O)N(C[C@H](C)[NH+](C)C)C1=O ZINC000925318324 636833160 /nfs/dbraw/zinc/83/31/60/636833160.db2.gz GOTRZYGBLJLRGR-VIFPVBQESA-N 1 0 225.292 0.387 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001014382429 636854827 /nfs/dbraw/zinc/85/48/27/636854827.db2.gz HOCDYVYWCDXYMB-VHSXEESVSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](CC)C2)C1=O ZINC000925320430 636856753 /nfs/dbraw/zinc/85/67/53/636856753.db2.gz FVNYNNZRXYQJFA-ZJUUUORDSA-N 1 0 235.287 0.024 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC000989486513 636857469 /nfs/dbraw/zinc/85/74/69/636857469.db2.gz DRGNKSGMLROWBF-ZYHUDNBSSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccnnc2)C1 ZINC000989475684 636857889 /nfs/dbraw/zinc/85/78/89/636857889.db2.gz CHIJHNXESRVMPA-PWSUYJOCSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC000989488256 636859643 /nfs/dbraw/zinc/85/96/43/636859643.db2.gz QOOPAICZGUFHPR-CMPLNLGQSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC000989608064 636866507 /nfs/dbraw/zinc/86/65/07/636866507.db2.gz GYQBHOXMFHCSDR-GHMZBOCLSA-N 1 0 246.314 0.164 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2nocc2C)C1 ZINC000989650514 636871294 /nfs/dbraw/zinc/87/12/94/636871294.db2.gz QMPQRMBUQIOHKC-QWRGUYRKSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn(C)n2)C1 ZINC000989792838 636880314 /nfs/dbraw/zinc/88/03/14/636880314.db2.gz GIROWEAJJWUJNA-MNOVXSKESA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2ccc[nH]2)C1 ZINC000989816537 636881321 /nfs/dbraw/zinc/88/13/21/636881321.db2.gz NTRGGLAJKXSNGV-YPMHNXCESA-N 1 0 245.326 0.769 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2[nH]cnc2C)C1 ZINC000989864734 636884632 /nfs/dbraw/zinc/88/46/32/636884632.db2.gz WDJGNJUCPGRKKC-GXSJLCMTSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2nonc2C)C1 ZINC000989850148 636885590 /nfs/dbraw/zinc/88/55/90/636885590.db2.gz NODLMWNPMGVOMJ-PSASIEDQSA-N 1 0 248.286 0.204 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)Cn2cccn2)CC1 ZINC000989941992 636900875 /nfs/dbraw/zinc/90/08/75/636900875.db2.gz RXTLMNVIBCGQDX-UHFFFAOYSA-N 1 0 248.330 0.650 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000990261408 636925055 /nfs/dbraw/zinc/92/50/55/636925055.db2.gz FNZKWUHNQMVNEU-JTQLQIEISA-N 1 0 221.304 0.913 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000990261117 636925544 /nfs/dbraw/zinc/92/55/44/636925544.db2.gz ADDYBJKTHQFDPO-JTQLQIEISA-N 1 0 219.288 0.360 20 30 BCEDRO C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000990315337 636926794 /nfs/dbraw/zinc/92/67/94/636926794.db2.gz SXDOHFHUCVSBMI-NXEZZACHSA-N 1 0 239.319 0.107 20 30 BCEDRO C[C@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000990315346 636927499 /nfs/dbraw/zinc/92/74/99/636927499.db2.gz SXDOHFHUCVSBMI-UWVGGRQHSA-N 1 0 239.319 0.107 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC([NH2+]C[C@H](C)O)CC1 ZINC000990315351 636927746 /nfs/dbraw/zinc/92/77/46/636927746.db2.gz SXDOHFHUCVSBMI-ZJUUUORDSA-N 1 0 239.319 0.107 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000923803732 637022277 /nfs/dbraw/zinc/02/22/77/637022277.db2.gz ZVWXEYGDEXYIIC-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO C#CCSCC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000898978898 637067740 /nfs/dbraw/zinc/06/77/40/637067740.db2.gz ZSFFVTSDBOSELD-NSHDSACASA-N 1 0 240.372 0.953 20 30 BCEDRO C#CCNC(=S)N(CC#C)C1CC[NH+](C)CC1 ZINC000899613839 637102392 /nfs/dbraw/zinc/10/23/92/637102392.db2.gz QNEKIVSRIJPEGG-UHFFFAOYSA-N 1 0 249.383 0.524 20 30 BCEDRO CN(C(=O)C12CC[NH+](CC1)C2)C1(C#N)CCC1 ZINC000900355720 637180852 /nfs/dbraw/zinc/18/08/52/637180852.db2.gz ZEJNLKYZWKRGNT-UHFFFAOYSA-N 1 0 233.315 0.987 20 30 BCEDRO CC[C@H](C#N)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900471085 637188580 /nfs/dbraw/zinc/18/85/80/637188580.db2.gz GFBWEEUOIAQAPJ-ZYHUDNBSSA-N 1 0 239.319 0.252 20 30 BCEDRO CC[C@H](C#N)NC(=O)C[N@H+](C)C1CCC1 ZINC000900471273 637189199 /nfs/dbraw/zinc/18/91/99/637189199.db2.gz IQBTVRYFBUJODP-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC(F)F ZINC000900907141 637200830 /nfs/dbraw/zinc/20/08/30/637200830.db2.gz WEULGIGVZRGELC-UHFFFAOYSA-N 1 0 206.236 0.876 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1[nH]cnc1C ZINC000900918400 637203913 /nfs/dbraw/zinc/20/39/13/637203913.db2.gz HYYCQLFDXOYLRI-UHFFFAOYSA-N 1 0 236.319 0.842 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2cn(C)nn2)C1 ZINC000903092853 637343156 /nfs/dbraw/zinc/34/31/56/637343156.db2.gz DSJJRENXAKRDAW-NWDGAFQWSA-N 1 0 247.346 0.563 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903787417 637382593 /nfs/dbraw/zinc/38/25/93/637382593.db2.gz WBSWOAZLEDHWQT-IHRRRGAJSA-N 1 0 249.358 0.991 20 30 BCEDRO N#Cc1cscc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000904926070 637529680 /nfs/dbraw/zinc/52/96/80/637529680.db2.gz PCLSZLBNPKZASI-QMMMGPOBSA-N 1 0 221.285 0.711 20 30 BCEDRO N#Cc1cscc1C(=O)NCC1C[NH2+]C1 ZINC000904930028 637533389 /nfs/dbraw/zinc/53/33/89/637533389.db2.gz UVSMSIKSMKNZKY-UHFFFAOYSA-N 1 0 221.285 0.569 20 30 BCEDRO C[N@@H+]1CC[C@H]1C/N=C/c1ccc(O)c(O)c1O ZINC000905004015 637540982 /nfs/dbraw/zinc/54/09/82/637540982.db2.gz ZCBZWOMTXOBZKO-CVSYOPMASA-N 1 0 236.271 0.926 20 30 BCEDRO C#CCNC(=O)N1CC[C@H](C(F)(F)F)[C@@H]([NH3+])C1 ZINC000905004380 637541727 /nfs/dbraw/zinc/54/17/27/637541727.db2.gz IYTKECZHTSVLTH-YUMQZZPRSA-N 1 0 249.236 0.541 20 30 BCEDRO CNC(NCc1ccc2c(c1)ncn2C)=[NH+]C ZINC000905032201 637553992 /nfs/dbraw/zinc/55/39/92/637553992.db2.gz ANYDYBLZIAFYOC-UHFFFAOYSA-N 1 0 231.303 0.868 20 30 BCEDRO CNC(NC[C@@]1(c2ccccc2)C[C@@H](O)C1)=[NH+]C ZINC000905032618 637554183 /nfs/dbraw/zinc/55/41/83/637554183.db2.gz TVRKDKCHXPRZSX-MQMHXKEQSA-N 1 0 247.342 0.874 20 30 BCEDRO N#Cc1cccc(C[NH2+]CC[N+](=O)[O-])c1 ZINC000905036969 637556825 /nfs/dbraw/zinc/55/68/25/637556825.db2.gz KOVFXGAOTCDMAS-UHFFFAOYSA-N 1 0 205.217 0.925 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@@H](O)C2(O)CCC2)c1 ZINC000905037809 637557117 /nfs/dbraw/zinc/55/71/17/637557117.db2.gz MNENONMFKXYODM-CYBMUJFWSA-N 1 0 246.310 0.924 20 30 BCEDRO C#CCOCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905044734 637563287 /nfs/dbraw/zinc/56/32/87/637563287.db2.gz BBOWOOMREKTJQD-JTQLQIEISA-N 1 0 241.360 0.646 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)OC)[C@H]1C ZINC001074550997 711443289 /nfs/dbraw/zinc/44/32/89/711443289.db2.gz PGYCRZWKXFLOOQ-AXFHLTTASA-N 1 0 226.320 0.786 20 30 BCEDRO CC(=O)c1c[nH]c(C(=O)NCC#CC[NH+](C)C)c1 ZINC000905153510 637635923 /nfs/dbraw/zinc/63/59/23/637635923.db2.gz PKWCFKRPPWHIQH-UHFFFAOYSA-N 1 0 247.298 0.512 20 30 BCEDRO C#CCNC(=O)NC1CC[NH+](CC#C)CC1 ZINC000905146434 637656835 /nfs/dbraw/zinc/65/68/35/637656835.db2.gz WIMGOQPPOIXYQA-UHFFFAOYSA-N 1 0 219.288 0.016 20 30 BCEDRO C=CCCOCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905186271 637668235 /nfs/dbraw/zinc/66/82/35/637668235.db2.gz GSZDQRUUZQEPSM-LBPRGKRZSA-N 1 0 243.347 0.835 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905199497 637694363 /nfs/dbraw/zinc/69/43/63/637694363.db2.gz BAPRYYTWSLBECC-LLVKDONJSA-N 1 0 229.320 0.445 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)C[C@@]1(O)CCOC1)C(C)C ZINC000905242160 637725636 /nfs/dbraw/zinc/72/56/36/637725636.db2.gz ADMLPWWLSGRVJN-AGIUHOORSA-N 1 0 241.331 0.136 20 30 BCEDRO C=C(CC)C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905281265 637735321 /nfs/dbraw/zinc/73/53/21/637735321.db2.gz RTFVJSPSHHEPKG-NSHDSACASA-N 1 0 229.320 0.445 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905288357 637740041 /nfs/dbraw/zinc/74/00/41/637740041.db2.gz BYWXKARBIUFVBY-IUCAKERBSA-N 1 0 200.238 0.444 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905364311 637788131 /nfs/dbraw/zinc/78/81/31/637788131.db2.gz DFIRFUVJKXMELL-WDEREUQCSA-N 1 0 229.320 0.037 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]CC[N+](=O)[O-] ZINC000905401197 637795363 /nfs/dbraw/zinc/79/53/63/637795363.db2.gz WTIUGNPEDHCLON-SECBINFHSA-N 1 0 200.238 0.281 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1ccns1 ZINC000905420445 637805083 /nfs/dbraw/zinc/80/50/83/637805083.db2.gz ZUPYKULQUYJBIV-UHFFFAOYSA-N 1 0 237.328 0.415 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC/C=C\C=C ZINC000905421924 637806472 /nfs/dbraw/zinc/80/64/72/637806472.db2.gz FJTKMNFESOZWTH-WAYWQWQTSA-N 1 0 206.289 0.848 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@](C)(O)C(F)F ZINC000905451777 637809277 /nfs/dbraw/zinc/80/92/77/637809277.db2.gz LCSYUADRPIXAPI-WCBMZHEXSA-N 1 0 223.263 0.919 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)COCC(C)C ZINC000905451755 637809672 /nfs/dbraw/zinc/80/96/72/637809672.db2.gz KVYCHGRCAUSGRN-QWHCGFSZSA-N 1 0 245.363 0.937 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)CC(=C)C ZINC000905449571 637809685 /nfs/dbraw/zinc/80/96/85/637809685.db2.gz FTENGCADYAFCGT-NSHDSACASA-N 1 0 224.304 0.043 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905450658 637809726 /nfs/dbraw/zinc/80/97/26/637809726.db2.gz HWRYDVOFLWMWRL-GHMZBOCLSA-N 1 0 229.320 0.179 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000905451336 637810062 /nfs/dbraw/zinc/81/00/62/637810062.db2.gz KFLQRAZRECBAIQ-VXGBXAGGSA-N 1 0 238.331 0.958 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)CC(=C)C ZINC000905449569 637810449 /nfs/dbraw/zinc/81/04/49/637810449.db2.gz FTENGCADYAFCGT-LLVKDONJSA-N 1 0 224.304 0.043 20 30 BCEDRO CCN1CC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000905440870 637816517 /nfs/dbraw/zinc/81/65/17/637816517.db2.gz HNIWIRMJRUHUQS-NEPJUHHUSA-N 1 0 239.363 0.971 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)CCOCC ZINC000905454930 637820694 /nfs/dbraw/zinc/82/06/94/637820694.db2.gz VWGVQIRCZSCJNO-NEPJUHHUSA-N 1 0 231.336 0.691 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000905455538 637822024 /nfs/dbraw/zinc/82/20/24/637822024.db2.gz ZCPUQIFMBOXJEC-VHSXEESVSA-N 1 0 235.349 0.336 20 30 BCEDRO C[C@H]1CNC(NN=C2CC[C@@H]3[C@H]4OCC[C@H]4[C@H]23)=[NH+]1 ZINC000905461874 637825313 /nfs/dbraw/zinc/82/53/13/637825313.db2.gz XAQRNNPBOYUFSE-WPCZNGEBSA-N 1 0 248.330 0.725 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=S)NCCC)C1 ZINC000905572242 637849929 /nfs/dbraw/zinc/84/99/29/637849929.db2.gz VXXUPZGYOOLNPD-LLVKDONJSA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCNC(=S)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000905648508 637868560 /nfs/dbraw/zinc/86/85/60/637868560.db2.gz ISNRJANGDMAKKB-BDAKNGLRSA-N 1 0 211.334 0.176 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]C2CC(CCO)C2)CC1 ZINC000905670915 637884902 /nfs/dbraw/zinc/88/49/02/637884902.db2.gz LQXGYWQJYSSAGG-HTAVTVPLSA-N 1 0 238.331 0.792 20 30 BCEDRO C#CCN(CN1C[C@@H](OC)CC1=O)C(C)C ZINC000905748568 637897636 /nfs/dbraw/zinc/89/76/36/637897636.db2.gz JOCGZBOFPNUIDH-NSHDSACASA-N 1 0 224.304 0.535 20 30 BCEDRO Cc1nc(C#N)c(C#N)n1C[C@@H]1C[NH2+]C[C@H]1C ZINC000905733889 637902485 /nfs/dbraw/zinc/90/24/85/637902485.db2.gz NGRGNSWWJKIUQM-SCZZXKLOSA-N 1 0 229.287 0.790 20 30 BCEDRO C[C@@H]1C[NH2+]C[C@H]1COc1cnc(C#N)nc1 ZINC000905734911 637902883 /nfs/dbraw/zinc/90/28/83/637902883.db2.gz YENPUTOFALGJBM-BDAKNGLRSA-N 1 0 218.260 0.583 20 30 BCEDRO C[C@@H]1CC[N@@H+]1C[C@H](O)CN(C)CCC#N ZINC000905974170 637988867 /nfs/dbraw/zinc/98/88/67/637988867.db2.gz KPKNUFTVVPFDJU-GHMZBOCLSA-N 1 0 211.309 0.287 20 30 BCEDRO C#CC(C)(C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906684870 638232595 /nfs/dbraw/zinc/23/25/95/638232595.db2.gz DXUYRCIWVHHIDJ-UHFFFAOYSA-N 1 0 237.347 0.008 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([C@@H](C)O)C1 ZINC000907263550 638336697 /nfs/dbraw/zinc/33/66/97/638336697.db2.gz IMXWVRLKMZBFHY-VXGBXAGGSA-N 1 0 240.347 0.724 20 30 BCEDRO C[N@@H+]1CCC[C@](O)(CC(=O)NCCCC#N)C1 ZINC000907321552 638355239 /nfs/dbraw/zinc/35/52/39/638355239.db2.gz SFHGNAGRRDYOJI-LBPRGKRZSA-N 1 0 239.319 0.253 20 30 BCEDRO C[NH+](C)CCn1nccc1C(=O)NCCCC#N ZINC000907322211 638355286 /nfs/dbraw/zinc/35/52/86/638355286.db2.gz WPZHGZZCMUKLLS-UHFFFAOYSA-N 1 0 249.318 0.478 20 30 BCEDRO C#C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@H]1CCCO1 ZINC000907489491 638390215 /nfs/dbraw/zinc/39/02/15/638390215.db2.gz ZNPBMQAHIUPPNK-GRYCIOLGSA-N 1 0 238.331 0.624 20 30 BCEDRO C#C[C@H](C)NC(=O)c1ccnn1CC[NH+](C)C ZINC000907491014 638391784 /nfs/dbraw/zinc/39/17/84/638391784.db2.gz HDFGECGPBMFCGB-JTQLQIEISA-N 1 0 234.303 0.196 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)N(C)CC ZINC000907502876 638395210 /nfs/dbraw/zinc/39/52/10/638395210.db2.gz DPYXESDAYGAQAS-UHFFFAOYSA-N 1 0 241.335 0.089 20 30 BCEDRO C=CCN(C)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907517614 638401202 /nfs/dbraw/zinc/40/12/02/638401202.db2.gz DZNFWMPUBARCRE-MWLCHTKSSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C)[C@H]1CO ZINC000907632040 638423984 /nfs/dbraw/zinc/42/39/84/638423984.db2.gz KCPDBGYRSTWEHH-CMPLNLGQSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C)[C@H]1CO ZINC000907632043 638426092 /nfs/dbraw/zinc/42/60/92/638426092.db2.gz KCPDBGYRSTWEHH-ZYHUDNBSSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@](F)(C#N)C1 ZINC000907636976 638427405 /nfs/dbraw/zinc/42/74/05/638427405.db2.gz SVDZWSLQOCOMTQ-LBPRGKRZSA-N 1 0 239.294 0.958 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@](F)(C#N)C1 ZINC000907636974 638428082 /nfs/dbraw/zinc/42/80/82/638428082.db2.gz SVDZWSLQOCOMTQ-GFCCVEGCSA-N 1 0 239.294 0.958 20 30 BCEDRO C#C[C@H](CC)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907718617 638456745 /nfs/dbraw/zinc/45/67/45/638456745.db2.gz PSQPXYOXAPQCKB-DGCLKSJQSA-N 1 0 238.331 0.361 20 30 BCEDRO C[NH+](C)CCn1nccc1C(=O)NCCC#N ZINC000907803212 638469167 /nfs/dbraw/zinc/46/91/67/638469167.db2.gz FOXZIKXWWKVJAD-UHFFFAOYSA-N 1 0 235.291 0.088 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@H](C)C(=O)OC ZINC000907892694 638501002 /nfs/dbraw/zinc/50/10/02/638501002.db2.gz FBZZPTLRONNJPC-SNVBAGLBSA-N 1 0 242.319 0.514 20 30 BCEDRO O=C(NCC#CCO)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908032570 638556374 /nfs/dbraw/zinc/55/63/74/638556374.db2.gz QCMJHOFCNNJMMC-VXGBXAGGSA-N 1 0 236.315 0.115 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CCC)C(N)=O ZINC000908177992 638586770 /nfs/dbraw/zinc/58/67/70/638586770.db2.gz MWSOSTOAEURQFS-JTQLQIEISA-N 1 0 241.335 0.265 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1c[nH]c(=O)[nH]1 ZINC000908265205 638627030 /nfs/dbraw/zinc/62/70/30/638627030.db2.gz DXSNAZSEUMSGNK-UHFFFAOYSA-N 1 0 238.291 0.239 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CF ZINC000908378700 638676010 /nfs/dbraw/zinc/67/60/10/638676010.db2.gz ZJCXXEBKOZOIBY-VIFPVBQESA-N 1 0 202.273 0.969 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOCC1CC1 ZINC000908383450 638678017 /nfs/dbraw/zinc/67/80/17/638678017.db2.gz OHGJHUXKYPUVIT-UHFFFAOYSA-N 1 0 212.293 0.952 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CO)c1ccccn1 ZINC000908481662 638748701 /nfs/dbraw/zinc/74/87/01/638748701.db2.gz RTLGKVZTACJRDS-GFCCVEGCSA-N 1 0 249.314 0.349 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)c1ccccn1 ZINC000908481663 638749462 /nfs/dbraw/zinc/74/94/62/638749462.db2.gz RTLGKVZTACJRDS-LBPRGKRZSA-N 1 0 249.314 0.349 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@H](CC)CO ZINC000908519254 638754688 /nfs/dbraw/zinc/75/46/88/638754688.db2.gz OGWVYOIFYPQSMN-LLVKDONJSA-N 1 0 228.336 0.724 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C(=C)CC[NH+](C)C ZINC000908992806 639116598 /nfs/dbraw/zinc/11/65/98/639116598.db2.gz SPMHSCQYQDSZKD-NEPJUHHUSA-N 1 0 238.331 0.954 20 30 BCEDRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@H](C#N)CO)C1 ZINC000909306235 639200464 /nfs/dbraw/zinc/20/04/64/639200464.db2.gz QZONQFHFDCRDLW-WDEREUQCSA-N 1 0 239.319 0.109 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)C1CC[NH+](C)CC1 ZINC000909926205 639274341 /nfs/dbraw/zinc/27/43/41/639274341.db2.gz CKKJIROPADUZGW-LBPRGKRZSA-N 1 0 236.315 0.189 20 30 BCEDRO C[C@@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930266663 639670285 /nfs/dbraw/zinc/67/02/85/639670285.db2.gz CGIWGDQBRGEWDN-GRYCIOLGSA-N 1 0 226.320 0.886 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000911598913 639671496 /nfs/dbraw/zinc/67/14/96/639671496.db2.gz GHRNBLPYQIFTHN-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CN(C)C(=O)[C@@H]1C ZINC000911602327 639674321 /nfs/dbraw/zinc/67/43/21/639674321.db2.gz ZXOZJUBZORLYDQ-JTQLQIEISA-N 1 0 239.319 0.141 20 30 BCEDRO N#C[C@@]1(C(=O)NCC[NH3+])CC2CCC1CC2 ZINC000911622206 639682588 /nfs/dbraw/zinc/68/25/88/639682588.db2.gz DBILOYJERZXYKO-CBINBANVSA-N 1 0 221.304 0.781 20 30 BCEDRO CC(C)([NH2+]C[C@H](O)CC#N)C(=O)N1CCCC1 ZINC000930301762 639689731 /nfs/dbraw/zinc/68/97/31/639689731.db2.gz YKGDUWCTKLPHRS-SNVBAGLBSA-N 1 0 239.319 0.252 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000911632653 639691611 /nfs/dbraw/zinc/69/16/11/639691611.db2.gz AXZFZGYWQQQLLB-PWSUYJOCSA-N 1 0 226.320 0.381 20 30 BCEDRO N#Cc1ccc(C(=O)NCCC[NH3+])c(F)c1 ZINC000911651891 639707556 /nfs/dbraw/zinc/70/75/56/639707556.db2.gz GUTBTQGDENUQDG-UHFFFAOYSA-N 1 0 221.235 0.776 20 30 BCEDRO C[NH2+]CCCNC(=O)c1cscc1C#N ZINC000911676852 639717125 /nfs/dbraw/zinc/71/71/25/639717125.db2.gz MRQOUMMUTCXWJF-UHFFFAOYSA-N 1 0 223.301 0.959 20 30 BCEDRO Cc1ccc(C#N)cc1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911698456 639733662 /nfs/dbraw/zinc/73/36/62/639733662.db2.gz IJEXGHLTTMMCAQ-LLVKDONJSA-N 1 0 229.283 0.958 20 30 BCEDRO CC[N@@H+]1CCN(C[C@H](O)CC#N)[C@@H](C)C1 ZINC000930451994 639755727 /nfs/dbraw/zinc/75/57/27/639755727.db2.gz JNCDPKUXSLRTCB-WDEREUQCSA-N 1 0 211.309 0.287 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000911782726 639800653 /nfs/dbraw/zinc/80/06/53/639800653.db2.gz LQRMMMCCCMXFGX-IJLUTSLNSA-N 1 0 238.331 0.788 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000930530908 639803919 /nfs/dbraw/zinc/80/39/19/639803919.db2.gz FMAYIDMDXDOUCW-WDEREUQCSA-N 1 0 220.276 0.404 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)C[C@@H](O)Cc1ccccc1 ZINC000930565411 639812213 /nfs/dbraw/zinc/81/22/13/639812213.db2.gz XCSQSFKKIGUSBF-KGLIPLIRSA-N 1 0 248.326 0.796 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCN(OC)C1=O ZINC000930602072 639817573 /nfs/dbraw/zinc/81/75/73/639817573.db2.gz YJYRTHWCTFSDCQ-GXSJLCMTSA-N 1 0 210.277 0.540 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCCS1(=O)=O ZINC000930637669 639835849 /nfs/dbraw/zinc/83/58/49/639835849.db2.gz FEJRYFSRFSBGNX-AXFHLTTASA-N 1 0 245.344 0.497 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000911829368 639841630 /nfs/dbraw/zinc/84/16/30/639841630.db2.gz CYXAQAMNWTVPBN-SDDRHHMPSA-N 1 0 235.331 0.946 20 30 BCEDRO CC[C@@H]1C[N@H+](CC)CCN1C[C@H](O)CC#N ZINC000930653315 639846383 /nfs/dbraw/zinc/84/63/83/639846383.db2.gz SNPFSOGBKXWGRA-VXGBXAGGSA-N 1 0 225.336 0.677 20 30 BCEDRO CC[C@H]1C[N@H+](CC)CCN1C[C@H](O)CC#N ZINC000930653313 639847344 /nfs/dbraw/zinc/84/73/44/639847344.db2.gz SNPFSOGBKXWGRA-NWDGAFQWSA-N 1 0 225.336 0.677 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000911871297 639853163 /nfs/dbraw/zinc/85/31/63/639853163.db2.gz RTOYLZORDSUQGG-ZYHUDNBSSA-N 1 0 228.336 0.755 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC(C)(C)[NH3+] ZINC000911845630 639854514 /nfs/dbraw/zinc/85/45/14/639854514.db2.gz IWVGHPMYHRKGLB-UWVGGRQHSA-N 1 0 226.320 0.821 20 30 BCEDRO CN(C)C(=O)[C@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000930715543 639875764 /nfs/dbraw/zinc/87/57/64/639875764.db2.gz JAGVCGDEZITYLJ-NEPJUHHUSA-N 1 0 248.330 0.840 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@]1(C)C[C@H](O)C[NH2+]1 ZINC000911920655 639879857 /nfs/dbraw/zinc/87/98/57/639879857.db2.gz ZWARXOXRQHVDSN-CMPLNLGQSA-N 1 0 224.304 0.300 20 30 BCEDRO C=CCNC(=O)c1cc2n(n1)CCC[C@@H]2[NH3+] ZINC000911926387 639882293 /nfs/dbraw/zinc/88/22/93/639882293.db2.gz XORCXYGKHHZFDP-QMMMGPOBSA-N 1 0 220.276 0.593 20 30 BCEDRO C=C[C@@H](C)ONC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000911902713 639883782 /nfs/dbraw/zinc/88/37/82/639883782.db2.gz DDTAFNPSEWADHS-ZYHUDNBSSA-N 1 0 242.319 0.456 20 30 BCEDRO C[C@H]1[C@H](CO)CCC[N@@H+]1C[C@H](O)CC#N ZINC000930738641 639887770 /nfs/dbraw/zinc/88/77/70/639887770.db2.gz IULYXKFEJZCNBG-GARJFASQSA-N 1 0 212.293 0.354 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000930755025 639897397 /nfs/dbraw/zinc/89/73/97/639897397.db2.gz UURSUJYCEFVRSK-VXGBXAGGSA-N 1 0 226.320 0.745 20 30 BCEDRO CCOC(=O)/C=C\CN1CC[C@](O)(CC#N)C1 ZINC000930818392 639913065 /nfs/dbraw/zinc/91/30/65/639913065.db2.gz HCQBKTNAIGBWFF-VSQXVHSFSA-N 1 0 238.287 0.456 20 30 BCEDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cncc(C#N)c1 ZINC000930816642 639919071 /nfs/dbraw/zinc/91/90/71/639919071.db2.gz ANFAUUQUPFMMFS-VXGBXAGGSA-N 1 0 233.271 0.457 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCCC(=O)OC ZINC000912040751 639931173 /nfs/dbraw/zinc/93/11/73/639931173.db2.gz RIGDAJJQSCGIFT-SNVBAGLBSA-N 1 0 242.319 0.739 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC(=O)NC(C)C ZINC000912100657 639955866 /nfs/dbraw/zinc/95/58/66/639955866.db2.gz APORDMLLUOQSEB-SNVBAGLBSA-N 1 0 241.335 0.311 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@H]1CCC2(COC2)O1 ZINC000930869398 639963309 /nfs/dbraw/zinc/96/33/09/639963309.db2.gz ZGKLDPIDKYQODN-NXEZZACHSA-N 1 0 210.277 0.826 20 30 BCEDRO C[N@@H+]1CCN(C[C@H](O)CC#N)C[C@H]1C(C)(C)C ZINC000930883707 639969928 /nfs/dbraw/zinc/96/99/28/639969928.db2.gz UXULBRCYXCKTRU-NEPJUHHUSA-N 1 0 239.363 0.923 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCCC2)C1 ZINC000930885979 639971073 /nfs/dbraw/zinc/97/10/73/639971073.db2.gz PJUDLQYURZHBGJ-QWHCGFSZSA-N 1 0 237.343 0.998 20 30 BCEDRO C#CCN(CCO[C@@H]1CCOC1)C1CSC1 ZINC000930959882 639997166 /nfs/dbraw/zinc/99/71/66/639997166.db2.gz FOXMMYMQFSISIW-GFCCVEGCSA-N 1 0 241.356 0.843 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NCC(=O)OCC ZINC000912248003 640011958 /nfs/dbraw/zinc/01/19/58/640011958.db2.gz IYYHXBWKWCRUOK-VIFPVBQESA-N 1 0 228.292 0.349 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)Cc1c[nH]cn1 ZINC000912279359 640013099 /nfs/dbraw/zinc/01/30/99/640013099.db2.gz ZUNDHEJJYIGXFH-UHFFFAOYSA-N 1 0 236.319 0.876 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@](O)(C2CC2)C1 ZINC000930994895 640013084 /nfs/dbraw/zinc/01/30/84/640013084.db2.gz CNDMXJXJNUEDSA-VXGBXAGGSA-N 1 0 224.304 0.498 20 30 BCEDRO C[C@]12COC[C@@H]1C[N@H+](C[C@H](O)CC#N)C2 ZINC000931015071 640017770 /nfs/dbraw/zinc/01/77/70/640017770.db2.gz MGKDEORXYILPQE-AXFHLTTASA-N 1 0 210.277 0.229 20 30 BCEDRO N#Cc1cc(NC[C@H]2CSCC[NH2+]2)ccn1 ZINC000912321817 640029765 /nfs/dbraw/zinc/02/97/65/640029765.db2.gz QPCHNMVDQKVYSC-NSHDSACASA-N 1 0 234.328 0.492 20 30 BCEDRO C=C(C)[C@H](CO)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931043566 640039003 /nfs/dbraw/zinc/03/90/03/640039003.db2.gz QPCJTIZNBBIUAJ-SRVKXCTJSA-N 1 0 212.337 0.948 20 30 BCEDRO C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CSC1 ZINC000912363154 640040365 /nfs/dbraw/zinc/04/03/65/640040365.db2.gz KUFRZPHOVBHIKQ-LLVKDONJSA-N 1 0 238.356 0.658 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931047359 640041639 /nfs/dbraw/zinc/04/16/39/640041639.db2.gz OSKOYPUCGYBNRK-QWRGUYRKSA-N 1 0 225.336 0.313 20 30 BCEDRO C[C@@]1(NC(=O)CC#N)C[NH+]2CCC1CC2 ZINC000912375072 640045149 /nfs/dbraw/zinc/04/51/49/640045149.db2.gz DKSXNINQLQEQGL-LLVKDONJSA-N 1 0 207.277 0.501 20 30 BCEDRO C#CCN(C(=O)Cc1cnc[nH]1)C1CSC1 ZINC000912376458 640045837 /nfs/dbraw/zinc/04/58/37/640045837.db2.gz XNWKNVCDMDBKAK-UHFFFAOYSA-N 1 0 235.312 0.529 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cncc(C(=O)OC)c1 ZINC000931067731 640056404 /nfs/dbraw/zinc/05/64/04/640056404.db2.gz RTMDISRULBHIKC-LLVKDONJSA-N 1 0 236.271 0.505 20 30 BCEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC#N)C[C@H]1CO ZINC000931099693 640063431 /nfs/dbraw/zinc/06/34/31/640063431.db2.gz IYFAODHVZGLFEC-OUAUKWLOSA-N 1 0 212.293 0.211 20 30 BCEDRO C#CC1(O)CC[NH+]([C@@H](C)c2cnccn2)CC1 ZINC000931151120 640077984 /nfs/dbraw/zinc/07/79/84/640077984.db2.gz NMGIKNCHYDRXIC-NSHDSACASA-N 1 0 231.299 0.998 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H](O)CCC)CC1 ZINC000931149494 640078828 /nfs/dbraw/zinc/07/88/28/640078828.db2.gz KOOHZXHAZFTQNW-NSHDSACASA-N 1 0 211.305 0.608 20 30 BCEDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(C)CC#N ZINC000931239779 640110165 /nfs/dbraw/zinc/11/01/65/640110165.db2.gz GBBCMONQQOTADI-JTQLQIEISA-N 1 0 209.293 0.841 20 30 BCEDRO C#CC1(O)CC[NH+](CCOC(F)F)CC1 ZINC000931151640 640080199 /nfs/dbraw/zinc/08/01/99/640080199.db2.gz QNUXHLGPXBTCLS-UHFFFAOYSA-N 1 0 219.231 0.686 20 30 BCEDRO C[NH+]=C(NCC(=O)N(C)C)NC(C)(C)C ZINC000912496928 640091549 /nfs/dbraw/zinc/09/15/49/640091549.db2.gz HYEWNQQJIMJUPY-UHFFFAOYSA-N 1 0 214.313 0.038 20 30 BCEDRO C[NH+]=C(NC[C@@H]1COCCO1)NC(C)(C)C ZINC000912496992 640093514 /nfs/dbraw/zinc/09/35/14/640093514.db2.gz JWBBDPUHUDEATH-SECBINFHSA-N 1 0 229.324 0.365 20 30 BCEDRO C#CCCC[N@@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000931193545 640097046 /nfs/dbraw/zinc/09/70/46/640097046.db2.gz CYKZTSMYNZIGCX-UHFFFAOYSA-N 1 0 219.288 0.897 20 30 BCEDRO C=CCC[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931228152 640105768 /nfs/dbraw/zinc/10/57/68/640105768.db2.gz CRCFFSQFAXNHML-SNVBAGLBSA-N 1 0 232.349 0.706 20 30 BCEDRO CCN(C)C(=O)CNC(NC(C)(C)C)=[NH+]C ZINC000912497413 640108816 /nfs/dbraw/zinc/10/88/16/640108816.db2.gz SXGGGEQVLNFHCB-UHFFFAOYSA-N 1 0 228.340 0.428 20 30 BCEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000931258910 640119981 /nfs/dbraw/zinc/11/99/81/640119981.db2.gz MNWZAVLEYCBSSO-QGKZMRNZSA-N 1 0 212.293 0.662 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000931279881 640134358 /nfs/dbraw/zinc/13/43/58/640134358.db2.gz RTIWTCWPNYOPTK-NDBYEHHHSA-N 1 0 224.348 0.805 20 30 BCEDRO C=CCCCC(=O)N(C)CC[N@H+](C)CCO ZINC000912608490 640137459 /nfs/dbraw/zinc/13/74/59/640137459.db2.gz XNPPERHXPSBVFW-UHFFFAOYSA-N 1 0 228.336 0.725 20 30 BCEDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N(CC#N)CC#N ZINC000931298257 640140234 /nfs/dbraw/zinc/14/02/34/640140234.db2.gz YOWJXTYJCSIPMD-NSHDSACASA-N 1 0 234.303 0.735 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000931336601 640161134 /nfs/dbraw/zinc/16/11/34/640161134.db2.gz YHEPFLYCLGAFDV-LNFKQOIKSA-N 1 0 210.277 0.106 20 30 BCEDRO CCN(C(=O)C12CC[NH+](CC1)C2)[C@@H](C)C#N ZINC000912687139 640165515 /nfs/dbraw/zinc/16/55/15/640165515.db2.gz KBIARSJIJUBFQQ-JTQLQIEISA-N 1 0 221.304 0.843 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1([C@@H](C)O)CC1 ZINC000912694567 640168982 /nfs/dbraw/zinc/16/89/82/640168982.db2.gz XKKZMXWIHSNZRK-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000912719014 640177430 /nfs/dbraw/zinc/17/74/30/640177430.db2.gz LEVZNILXNFLTCG-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCCCC[N@H+]1CCN(C)[C@H](CO)C1 ZINC000931399072 640178932 /nfs/dbraw/zinc/17/89/32/640178932.db2.gz KUNNQFGGAUGHHP-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO CN1CC[N@H+](CCCSCC#N)C[C@H]1CO ZINC000931406894 640184410 /nfs/dbraw/zinc/18/44/10/640184410.db2.gz CWKYFFIHXHYYJA-NSHDSACASA-N 1 0 243.376 0.242 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931462809 640224513 /nfs/dbraw/zinc/22/45/13/640224513.db2.gz SJGFYNIDFSTGIT-SNVBAGLBSA-N 1 0 246.314 0.468 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912906972 640234820 /nfs/dbraw/zinc/23/48/20/640234820.db2.gz CPSGNVMIAFPGAS-DGCLKSJQSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C(C)[C@H](CO)N1CCc2[nH+]ccc(N)c2C1 ZINC000931515019 640240628 /nfs/dbraw/zinc/24/06/28/640240628.db2.gz LEKWBPYDPBIYNM-ZDUSSCGKSA-N 1 0 233.315 0.959 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912917932 640244352 /nfs/dbraw/zinc/24/43/52/640244352.db2.gz QPONRZCKWLIOGD-NSHDSACASA-N 1 0 224.304 0.496 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912905036 640248257 /nfs/dbraw/zinc/24/82/57/640248257.db2.gz XWPHMGGFIVOEKD-CMPLNLGQSA-N 1 0 224.304 0.230 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912904075 640249588 /nfs/dbraw/zinc/24/95/88/640249588.db2.gz VPHSPVRKIHFSLH-QWRGUYRKSA-N 1 0 221.304 0.843 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC1(C)COC1 ZINC000913002065 640270790 /nfs/dbraw/zinc/27/07/90/640270790.db2.gz BOZQALUZTKVFDN-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO C=C1CN(C(=O)Nc2ccnn2CC[NH+](C)C)C1 ZINC000931568088 640278573 /nfs/dbraw/zinc/27/85/73/640278573.db2.gz QFVQXCFWICNQPI-UHFFFAOYSA-N 1 0 249.318 0.848 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)NCC(F)F ZINC000931633495 640295656 /nfs/dbraw/zinc/29/56/56/640295656.db2.gz GPSXYXUGYOLHLJ-UHFFFAOYSA-N 1 0 219.235 0.116 20 30 BCEDRO Cc1nc(N2CCN([C@@H](C)CCC#N)CC2)n[nH]1 ZINC000931628274 640297380 /nfs/dbraw/zinc/29/73/80/640297380.db2.gz MEVFAAJBQRGFAF-JTQLQIEISA-N 1 0 248.334 0.927 20 30 BCEDRO CC1(C)CNC(=O)[C@H]1[NH2+]Cc1cncc(C#N)c1 ZINC000931652199 640305259 /nfs/dbraw/zinc/30/52/59/640305259.db2.gz NPVOJVSNEFBEHX-LLVKDONJSA-N 1 0 244.298 0.567 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000931714856 640334095 /nfs/dbraw/zinc/33/40/95/640334095.db2.gz LCLBIARNEOJCGZ-WDEREUQCSA-N 1 0 222.288 0.494 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000931715523 640335321 /nfs/dbraw/zinc/33/53/21/640335321.db2.gz WZLMJDQOROTJKY-NWDGAFQWSA-N 1 0 223.316 0.608 20 30 BCEDRO CC#CC(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913281798 640347387 /nfs/dbraw/zinc/34/73/87/640347387.db2.gz SSBLODCYMJUTRB-CHWSQXEVSA-N 1 0 220.316 0.810 20 30 BCEDRO C=CCC1(O)CC[NH+](C[C@H](O)[C@H](C)O)CC1 ZINC000931749858 640350467 /nfs/dbraw/zinc/35/04/67/640350467.db2.gz CIJXDGSIPYTHIA-QWRGUYRKSA-N 1 0 229.320 0.131 20 30 BCEDRO CC[C@@H](CO)[NH2+][C@H](C)C(=O)NC1(C#N)CCC1 ZINC000931774624 640365898 /nfs/dbraw/zinc/36/58/98/640365898.db2.gz LICMHWDHFJRGHQ-ZJUUUORDSA-N 1 0 239.319 0.298 20 30 BCEDRO CC[C@@H](CO)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000931773449 640366587 /nfs/dbraw/zinc/36/65/87/640366587.db2.gz TUZYOAHUONAXPM-RYUDHWBXSA-N 1 0 247.298 0.445 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Nc1ncccn1 ZINC000931814303 640373174 /nfs/dbraw/zinc/37/31/74/640373174.db2.gz FNDRFVWDKFZSPQ-UHFFFAOYSA-N 1 0 233.275 0.163 20 30 BCEDRO Cc1nocc1NC(=O)NCC#CC[NH+](C)C ZINC000931816087 640375730 /nfs/dbraw/zinc/37/57/30/640375730.db2.gz VLFKWYIJGRKLCH-UHFFFAOYSA-N 1 0 236.275 0.670 20 30 BCEDRO CS[C@H](C)CC(=O)NCC#CC[NH+](C)C ZINC000913520495 640381607 /nfs/dbraw/zinc/38/16/07/640381607.db2.gz RNQNQBNNGYTASB-SNVBAGLBSA-N 1 0 228.361 0.809 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1(F)CCCC1 ZINC000913521385 640383066 /nfs/dbraw/zinc/38/30/66/640383066.db2.gz WYHDJIQGAFYPFE-UHFFFAOYSA-N 1 0 226.295 0.950 20 30 BCEDRO CC(C)OCCCC(=O)NCC#CC[NH+](C)C ZINC000913521292 640383336 /nfs/dbraw/zinc/38/33/36/640383336.db2.gz SJOCXWZPTGFXQC-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO Cn1nccc1CCC(=O)NCC#CC[NH+](C)C ZINC000913521190 640383748 /nfs/dbraw/zinc/38/37/48/640383748.db2.gz ODVADLVYGSLOIC-UHFFFAOYSA-N 1 0 248.330 0.034 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2[C@@H](C(=O)OCC)[C@H]2C1 ZINC000932064784 640418823 /nfs/dbraw/zinc/41/88/23/640418823.db2.gz UTJWXKNHYZWSJC-OUAUKWLOSA-N 1 0 207.273 0.751 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]1c1ccnn1C ZINC000932271840 640467391 /nfs/dbraw/zinc/46/73/91/640467391.db2.gz WFQQYEXXRXRPGD-GFCCVEGCSA-N 1 0 248.330 0.859 20 30 BCEDRO C#CC[N@H+](C[C@@H](O)C1(O)CCCC1)C(C)C ZINC000932384253 640509987 /nfs/dbraw/zinc/50/99/87/640509987.db2.gz OGIMNKGGJFGSQS-GFCCVEGCSA-N 1 0 225.332 0.996 20 30 BCEDRO C#CC[N@H+](C[C@@H](O)C1(O)CCOCC1)C(C)C ZINC000932386257 640514223 /nfs/dbraw/zinc/51/42/23/640514223.db2.gz OCQBJSSPNLYDOW-GFCCVEGCSA-N 1 0 241.331 0.232 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)CO[C@@H](C)COC)C(C)C ZINC000932387379 640515581 /nfs/dbraw/zinc/51/55/81/640515581.db2.gz HVLZPMDGCBUVDJ-QWHCGFSZSA-N 1 0 243.347 0.742 20 30 BCEDRO C[C@@H]1COC[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000932489037 640553612 /nfs/dbraw/zinc/55/36/12/640553612.db2.gz PBQWDLKXDNZJMM-GMTAPVOTSA-N 1 0 224.304 0.666 20 30 BCEDRO C[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000932489273 640554949 /nfs/dbraw/zinc/55/49/49/640554949.db2.gz PBQWDLKXDNZJMM-OUAUKWLOSA-N 1 0 224.304 0.666 20 30 BCEDRO CCOC(=O)[C@@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000932640381 640592615 /nfs/dbraw/zinc/59/26/15/640592615.db2.gz XRPIBRZRTOTBDI-WDEREUQCSA-N 1 0 240.303 0.800 20 30 BCEDRO C#CC(C)(C)NC(=O)COC1CC[NH+](C)CC1 ZINC000932755230 640606864 /nfs/dbraw/zinc/60/68/64/640606864.db2.gz QPAVPRZMOJDIDW-UHFFFAOYSA-N 1 0 238.331 0.625 20 30 BCEDRO N#CCCOCC[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934884 640647306 /nfs/dbraw/zinc/64/73/06/640647306.db2.gz RJHIKYPZQGPVGI-UHFFFAOYSA-N 1 0 237.303 0.399 20 30 BCEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])N(C)C ZINC000157402403 640672567 /nfs/dbraw/zinc/67/25/67/640672567.db2.gz PJFSAPICZDKBQA-UHFFFAOYSA-N 1 0 214.313 0.025 20 30 BCEDRO C#CCC1([NH2+][C@@H](C)c2nnnn2C)CCC1 ZINC000933296716 640700779 /nfs/dbraw/zinc/70/07/79/640700779.db2.gz LSUYTUFAJMHDAC-VIFPVBQESA-N 1 0 219.292 0.807 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000157727099 640728880 /nfs/dbraw/zinc/72/88/80/640728880.db2.gz AOCVLZDNOMRAEM-VHSXEESVSA-N 1 0 208.305 0.903 20 30 BCEDRO C[C@H](O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933647399 640736960 /nfs/dbraw/zinc/73/69/60/640736960.db2.gz DZBZAFGGHKEHEN-JTQLQIEISA-N 1 0 225.288 0.705 20 30 BCEDRO C=CCCC[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933699845 640747929 /nfs/dbraw/zinc/74/79/29/640747929.db2.gz QPGXSGFSFSZILY-MNOVXSKESA-N 1 0 246.376 0.809 20 30 BCEDRO CC[N@H+](CCO[C@H](C)C#N)CCC(=O)NC ZINC000933863102 640775186 /nfs/dbraw/zinc/77/51/86/640775186.db2.gz SQCYSGZASXOBAS-SNVBAGLBSA-N 1 0 227.308 0.373 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCC(=O)NC ZINC000933868757 640777265 /nfs/dbraw/zinc/77/72/65/640777265.db2.gz ATKHYYZSKIOJRS-SNVBAGLBSA-N 1 0 241.335 0.135 20 30 BCEDRO C#CC[NH2+][C@@H](C)C1(C(=O)OCC)CCOCC1 ZINC000933887670 640780832 /nfs/dbraw/zinc/78/08/32/640780832.db2.gz YGHOKUDBQNLWLT-NSHDSACASA-N 1 0 239.315 0.958 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000933878836 640781089 /nfs/dbraw/zinc/78/10/89/640781089.db2.gz NHAXHYSTVPDFDW-ZDUSSCGKSA-N 1 0 232.327 0.954 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)c2cocn2)C[C@@H]1C ZINC000947114213 640795130 /nfs/dbraw/zinc/79/51/30/640795130.db2.gz ZEMKGTSBHNHRQZ-WDEREUQCSA-N 1 0 247.298 0.891 20 30 BCEDRO C=CCOCC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933966093 640798071 /nfs/dbraw/zinc/79/80/71/640798071.db2.gz ZVIYABXUSBGRIQ-NWDGAFQWSA-N 1 0 227.304 0.679 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCN(C)CCN(C)CC1 ZINC000933991752 640802333 /nfs/dbraw/zinc/80/23/33/640802333.db2.gz DTTHGDMQYUICNL-ZDUSSCGKSA-N 1 0 241.379 0.103 20 30 BCEDRO O[C@@]1(C[NH2+]CC#Cc2ccccc2)CCOC1 ZINC000227135558 640816586 /nfs/dbraw/zinc/81/65/86/640816586.db2.gz OCCVLTAHZKUBLJ-CQSZACIVSA-N 1 0 231.295 0.779 20 30 BCEDRO CC(C)(O)C(C)(C)[NH2+]CC(=O)NCCC#N ZINC000227344881 640828918 /nfs/dbraw/zinc/82/89/18/640828918.db2.gz BCIVWMJQWMBZHU-UHFFFAOYSA-N 1 0 227.308 0.155 20 30 BCEDRO C#CCNC(=O)CN1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000227420285 640832763 /nfs/dbraw/zinc/83/27/63/640832763.db2.gz UVCBHJZLLOWTPD-CHWSQXEVSA-N 1 0 249.358 0.152 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCOC1CCCC1 ZINC000170908364 640937004 /nfs/dbraw/zinc/93/70/04/640937004.db2.gz ASSLDGJFFYZIEO-JTQLQIEISA-N 1 0 243.351 0.885 20 30 BCEDRO COCCCCNC(=[NH2+])N[C@H](C)COC ZINC000170913850 640938583 /nfs/dbraw/zinc/93/85/83/640938583.db2.gz BFZXRUVGJPCITJ-SECBINFHSA-N 1 0 217.313 0.352 20 30 BCEDRO C=CCN1CC(NC(=O)C23CCC[NH+]2CCC3)C1 ZINC001030607796 640955373 /nfs/dbraw/zinc/95/53/73/640955373.db2.gz QUFPOGRQXPESSC-UHFFFAOYSA-N 1 0 249.358 0.601 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H]1CC[C@@H]1OC ZINC000934107366 641069984 /nfs/dbraw/zinc/06/99/84/641069984.db2.gz HWPYMECQWLDKKV-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO CO[C@@H]1CC[C@H]1[N@H+](C)CC(=O)NCCC#N ZINC000934128304 641087777 /nfs/dbraw/zinc/08/77/77/641087777.db2.gz RNWYMNNTYNFNHY-NXEZZACHSA-N 1 0 225.292 0.125 20 30 BCEDRO COCC#CC[N@@H+]1CCCCCNC(=O)CC1 ZINC000934155855 641092472 /nfs/dbraw/zinc/09/24/72/641092472.db2.gz YMJPXTGESUOSEC-UHFFFAOYSA-N 1 0 238.331 0.628 20 30 BCEDRO N#CCCN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934255595 641113929 /nfs/dbraw/zinc/11/39/29/641113929.db2.gz SXEFRPOHVZAQPV-NWDGAFQWSA-N 1 0 223.320 0.431 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCS(=O)(=O)N(C)C ZINC000934463367 641156026 /nfs/dbraw/zinc/15/60/26/641156026.db2.gz HNWABPVHITUGNC-SNVBAGLBSA-N 1 0 232.349 0.528 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCC(=O)NC(=O)NC ZINC000934463577 641158470 /nfs/dbraw/zinc/15/84/70/641158470.db2.gz BNELFZXJQKTDMW-SECBINFHSA-N 1 0 225.292 0.483 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+]1CCCN1C(=O)CNC1=O ZINC000934469036 641159877 /nfs/dbraw/zinc/15/98/77/641159877.db2.gz NALYZXYFVDNBEM-SNVBAGLBSA-N 1 0 237.303 0.579 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCCS(=O)(=O)N(C)C ZINC000934468771 641161053 /nfs/dbraw/zinc/16/10/53/641161053.db2.gz JCNGDIMZTYHNLG-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO 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20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1c[nH]cn1 ZINC000961895678 642708681 /nfs/dbraw/zinc/70/86/81/642708681.db2.gz KTXSTWORRQVZQT-PJXYFTJBSA-N 1 0 246.314 0.185 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@]1(C)CCOC1 ZINC000962144571 642717122 /nfs/dbraw/zinc/71/71/22/642717122.db2.gz ODGALPAMQJWXJN-SFTQSGBHSA-N 1 0 248.326 0.093 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccc[nH]1 ZINC000962659351 642730803 /nfs/dbraw/zinc/73/08/03/642730803.db2.gz BHMPFRVYKFOIKL-IMRBUKKESA-N 1 0 245.326 0.790 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000306221304 642732832 /nfs/dbraw/zinc/73/28/32/642732832.db2.gz JFDWIYLTUBGUDC-PRJMDXOYSA-N 1 0 200.669 0.606 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](C)[C@@H](NC(C)=O)C1 ZINC000964579006 642757496 /nfs/dbraw/zinc/75/74/96/642757496.db2.gz TTYYDLQXOUJEOI-PWSUYJOCSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000966872564 642791849 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ZINC000967729475 642802474 /nfs/dbraw/zinc/80/24/74/642802474.db2.gz QLYKYVNPYFWXAA-NXEZZACHSA-N 1 0 209.293 0.745 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)nc2C)C1 ZINC000967924886 642805247 /nfs/dbraw/zinc/80/52/47/642805247.db2.gz KGKQPFUXSUSZOF-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC000968177800 642807023 /nfs/dbraw/zinc/80/70/23/642807023.db2.gz WFUNPUMTWGWKQH-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC000968363407 642809708 /nfs/dbraw/zinc/80/97/08/642809708.db2.gz MDQBMSWMKFVUHL-IGLBNKAOSA-N 1 0 206.289 0.776 20 30 BCEDRO C=CC[N@H+]1CC[C@H](C)[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC000968426222 642811122 /nfs/dbraw/zinc/81/11/22/642811122.db2.gz CPDZJYJZYUKIQY-UWVGGRQHSA-N 1 0 249.318 0.431 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000968448008 642811241 /nfs/dbraw/zinc/81/12/41/642811241.db2.gz UZVKVNKGYXUIFU-LLVKDONJSA-N 1 0 244.298 0.876 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000968531880 642812701 /nfs/dbraw/zinc/81/27/01/642812701.db2.gz WQUFQONNLDUFJI-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nccn2CC)C1 ZINC000968528273 642812947 /nfs/dbraw/zinc/81/29/47/642812947.db2.gz RHAHMRMHGSIRHL-LLVKDONJSA-N 1 0 248.330 0.893 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](OC)C2CC2)C1 ZINC000968541673 642813264 /nfs/dbraw/zinc/81/32/64/642813264.db2.gz DPKRKFSPORGPLX-NEPJUHHUSA-N 1 0 236.315 0.235 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 ZINC000968541674 642813361 /nfs/dbraw/zinc/81/33/61/642813361.db2.gz DPKRKFSPORGPLX-VXGBXAGGSA-N 1 0 236.315 0.235 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000968537436 642813370 /nfs/dbraw/zinc/81/33/70/642813370.db2.gz WYMVVTZVFSXLPL-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000968567595 642814989 /nfs/dbraw/zinc/81/49/89/642814989.db2.gz DSUAJZSPBBQIDG-GHMZBOCLSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC000968633777 642816250 /nfs/dbraw/zinc/81/62/50/642816250.db2.gz DXPOWLYDTJJRSA-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC000968748820 642819142 /nfs/dbraw/zinc/81/91/42/642819142.db2.gz MRLKLTIFLCXRSG-LOWVWBTDSA-N 1 0 236.315 0.399 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2onc(C)c2C)C1 ZINC000969032314 642821910 /nfs/dbraw/zinc/82/19/10/642821910.db2.gz ONFKVJRTBMOCNH-LLVKDONJSA-N 1 0 247.298 0.729 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2nccn2)C1 ZINC001007424418 642826685 /nfs/dbraw/zinc/82/66/85/642826685.db2.gz NJDVNPYGYGZBDU-NSHDSACASA-N 1 0 249.318 0.045 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001007424416 642827440 /nfs/dbraw/zinc/82/74/40/642827440.db2.gz NJDVNPYGYGZBDU-LLVKDONJSA-N 1 0 249.318 0.045 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cncn2C)C1 ZINC001007803194 642830715 /nfs/dbraw/zinc/83/07/15/642830715.db2.gz DDWVHKMUWIPKEZ-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001008922849 642833800 /nfs/dbraw/zinc/83/38/00/642833800.db2.gz GWWFEONGIRVPCD-SNVBAGLBSA-N 1 0 247.302 0.022 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)CC2CC2)C1 ZINC001009883454 642843748 /nfs/dbraw/zinc/84/37/48/642843748.db2.gz MLJXMSWXIDQZAW-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010036479 642848616 /nfs/dbraw/zinc/84/86/16/642848616.db2.gz FHGWQEYIRBTFKW-RYUDHWBXSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001010251885 642854592 /nfs/dbraw/zinc/85/45/92/642854592.db2.gz VDGXQDZEQZXEKE-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cccn2C)C1 ZINC001010247621 642854640 /nfs/dbraw/zinc/85/46/40/642854640.db2.gz HKNQCTXJCDSLBT-LBPRGKRZSA-N 1 0 245.326 0.853 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001010251897 642855845 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C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001010676574 642871317 /nfs/dbraw/zinc/87/13/17/642871317.db2.gz PXGHJJLTTDVPIU-MNOVXSKESA-N 1 0 249.318 0.216 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2ncccc2O)C1 ZINC001010722853 642872841 /nfs/dbraw/zinc/87/28/41/642872841.db2.gz VOBQQQDWUFENND-SNVBAGLBSA-N 1 0 247.298 0.777 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cnnn2C)C1 ZINC001010832928 642874659 /nfs/dbraw/zinc/87/46/59/642874659.db2.gz VGHHUFJLFMYNAT-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO [NH2+]=C(NCCCn1ccnn1)N1CCCCC1 ZINC000181493901 642877885 /nfs/dbraw/zinc/87/78/85/642877885.db2.gz NQOWIQJVFGPVHX-UHFFFAOYSA-N 1 0 236.323 0.469 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001014393804 642888367 /nfs/dbraw/zinc/88/83/67/642888367.db2.gz LPQFUVVWFGRTBC-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc2c(c1)OCCO2 ZINC000252447938 642889261 /nfs/dbraw/zinc/88/92/61/642889261.db2.gz QOOSUXXBGDZDOS-UHFFFAOYSA-N 1 0 220.232 0.275 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)n2)C[C@H]1C ZINC000939743606 642890587 /nfs/dbraw/zinc/89/05/87/642890587.db2.gz MQMWZTYCLNHMHZ-ZYHUDNBSSA-N 1 0 248.330 0.656 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014569392 642890803 /nfs/dbraw/zinc/89/08/03/642890803.db2.gz ZZHHOUQHXOHRET-LLVKDONJSA-N 1 0 249.318 0.045 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccc[nH]2)C[C@H]1C ZINC000939785803 642892445 /nfs/dbraw/zinc/89/24/45/642892445.db2.gz OSNIWTBHEKMVOX-DGCLKSJQSA-N 1 0 245.326 0.627 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(F)c[nH]2)C1 ZINC001015313622 642898397 /nfs/dbraw/zinc/89/83/97/642898397.db2.gz NHBRORZPLQTHIH-LLVKDONJSA-N 1 0 249.289 0.981 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001015487547 642899639 /nfs/dbraw/zinc/89/96/39/642899639.db2.gz MFYLBTKVGGEGTL-JTQLQIEISA-N 1 0 249.318 0.493 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001015598509 642912225 /nfs/dbraw/zinc/91/22/25/642912225.db2.gz PXYIBWPUEZYXLM-NSHDSACASA-N 1 0 235.287 0.594 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2nccc2C)C1 ZINC001015776735 642929064 /nfs/dbraw/zinc/92/90/64/642929064.db2.gz GAHAVMAORJGCBL-GFCCVEGCSA-N 1 0 248.330 0.568 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2ccncn2)C1 ZINC001015879632 642934484 /nfs/dbraw/zinc/93/44/84/642934484.db2.gz YIGZKKCHHYAJNW-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)C1 ZINC001015879630 642937687 /nfs/dbraw/zinc/93/76/87/642937687.db2.gz YIGZKKCHHYAJNW-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cn(CC)cn2)C1 ZINC001016004194 642947047 /nfs/dbraw/zinc/94/70/47/642947047.db2.gz ARVMPUJUXHAARL-NSHDSACASA-N 1 0 248.330 0.893 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001016158506 642947147 /nfs/dbraw/zinc/94/71/47/642947147.db2.gz CUHSHPJXWZXGKE-LLVKDONJSA-N 1 0 247.298 0.777 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016192604 642948534 /nfs/dbraw/zinc/94/85/34/642948534.db2.gz MSCQPQLEMUQJSG-NSHDSACASA-N 1 0 249.318 0.045 20 30 BCEDRO C#CCN1CC[C@@H](NC(=O)c2cccn2CC)C1 ZINC001016263086 642950823 /nfs/dbraw/zinc/95/08/23/642950823.db2.gz KOLQZUAOMINJHA-GFCCVEGCSA-N 1 0 245.326 0.945 20 30 BCEDRO C#CCN1CC[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001016249467 642951810 /nfs/dbraw/zinc/95/18/10/642951810.db2.gz ARUMTQJFPYDNCM-NSHDSACASA-N 1 0 231.299 0.760 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001016245033 642954814 /nfs/dbraw/zinc/95/48/14/642954814.db2.gz BPLKSGHQCWQLQN-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@@H](C)C#N ZINC001017418680 642974522 /nfs/dbraw/zinc/97/45/22/642974522.db2.gz NYUPTQSGSRGGCB-GARJFASQSA-N 1 0 221.304 0.841 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2c[nH]nc2C)C1 ZINC001031886927 642982965 /nfs/dbraw/zinc/98/29/65/642982965.db2.gz CUHSYHWQTIBLOM-UHFFFAOYSA-N 1 0 248.330 0.956 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccccn2)C1 ZINC001018404398 642991505 /nfs/dbraw/zinc/99/15/05/642991505.db2.gz FILUFCBQLICWHW-NSHDSACASA-N 1 0 229.283 0.519 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC001018480552 642993902 /nfs/dbraw/zinc/99/39/02/642993902.db2.gz UTJILTPELITBDK-NSHDSACASA-N 1 0 234.303 0.410 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(CC)n[nH]2)C1 ZINC001018531221 642996322 /nfs/dbraw/zinc/99/63/22/642996322.db2.gz WTTUURAEGIWJIW-NSHDSACASA-N 1 0 246.314 0.409 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccccc2O)C1 ZINC001018531382 642997120 /nfs/dbraw/zinc/99/71/20/642997120.db2.gz BQXWALOEBORFEK-NSHDSACASA-N 1 0 244.294 0.830 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2cc(C)cn2)C1 ZINC001018588189 643000467 /nfs/dbraw/zinc/00/04/67/643000467.db2.gz HPUURAYXRAHOPT-LBPRGKRZSA-N 1 0 246.314 0.015 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)OC)C1 ZINC001018597164 643001218 /nfs/dbraw/zinc/00/12/18/643001218.db2.gz GKFOUACEVPRFLJ-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccnc(F)c2)C1 ZINC001018608713 643003244 /nfs/dbraw/zinc/00/32/44/643003244.db2.gz ZHGWFKKCFHLHMY-NSHDSACASA-N 1 0 247.273 0.658 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cocn2)C1 ZINC001018616526 643003760 /nfs/dbraw/zinc/00/37/60/643003760.db2.gz OXDPBLFGLOOAAH-VIFPVBQESA-N 1 0 219.244 0.112 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cc(C)on2)C1 ZINC001018630056 643003848 /nfs/dbraw/zinc/00/38/48/643003848.db2.gz GWCMQAUMMINWJM-NSHDSACASA-N 1 0 247.298 0.349 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001018618999 643003983 /nfs/dbraw/zinc/00/39/83/643003983.db2.gz VBGHBLFTJHBVLD-QWRGUYRKSA-N 1 0 221.304 0.913 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)/C=C\C2CC2)C1 ZINC001018669080 643006566 /nfs/dbraw/zinc/00/65/66/643006566.db2.gz YRXQRSQLNXXKOZ-FJOGCWAESA-N 1 0 218.300 0.776 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnccc2C)C1 ZINC001018660175 643006865 /nfs/dbraw/zinc/00/68/65/643006865.db2.gz VHNNPFVSDZCGSK-LBPRGKRZSA-N 1 0 243.310 0.827 20 30 BCEDRO CC[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001018679825 643007200 /nfs/dbraw/zinc/00/72/00/643007200.db2.gz SXRVSQARXIBARY-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC2(C)C)C1 ZINC001018717140 643008570 /nfs/dbraw/zinc/00/85/70/643008570.db2.gz OQNBMPFVNCYYTC-WDEREUQCSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C)ncn2)C1 ZINC001018723750 643009061 /nfs/dbraw/zinc/00/90/61/643009061.db2.gz XBGGEDCIARKFKG-NSHDSACASA-N 1 0 244.298 0.222 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC001018783730 643009814 /nfs/dbraw/zinc/00/98/14/643009814.db2.gz SQTDUWJROJUOGS-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC001018804280 643010871 /nfs/dbraw/zinc/01/08/71/643010871.db2.gz BTZLSXNMFFFZLX-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2nccc(C)n2)C1 ZINC001018781853 643011634 /nfs/dbraw/zinc/01/16/34/643011634.db2.gz QOAGKSMQXRNPOX-NSHDSACASA-N 1 0 246.314 0.775 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(C)nn2)C1 ZINC001018828671 643013159 /nfs/dbraw/zinc/01/31/59/643013159.db2.gz HJQNMUBAIACVDV-NSHDSACASA-N 1 0 246.314 0.775 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cncn2C)C1 ZINC001019098191 643020544 /nfs/dbraw/zinc/02/05/44/643020544.db2.gz PZDNXNBDAKUEPY-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 ZINC001019328610 643028012 /nfs/dbraw/zinc/02/80/12/643028012.db2.gz CUUPMQPPYYKIPC-NWDGAFQWSA-N 1 0 238.331 0.481 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC001019288958 643028948 /nfs/dbraw/zinc/02/89/48/643028948.db2.gz NDMODWFQBZKLPC-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2c(C)cnn2C)C1 ZINC001031908976 643031384 /nfs/dbraw/zinc/03/13/84/643031384.db2.gz YXDYVQUZMPQRJT-UHFFFAOYSA-N 1 0 248.330 0.576 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccn(CC)n2)C1 ZINC001019468297 643034497 /nfs/dbraw/zinc/03/44/97/643034497.db2.gz OTQZPCFYZFAYEE-NSHDSACASA-N 1 0 248.330 0.893 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001019546565 643036781 /nfs/dbraw/zinc/03/67/81/643036781.db2.gz RHHHKDKQGJTCNN-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO Cc1cccc(CCNC(=[NH2+])N2CCOCC2)n1 ZINC000279948119 643038574 /nfs/dbraw/zinc/03/85/74/643038574.db2.gz HROIHPHLDDAECS-UHFFFAOYSA-N 1 0 248.330 0.579 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001019567756 643039209 /nfs/dbraw/zinc/03/92/09/643039209.db2.gz KXMVPEJUTLQLMV-WCQYABFASA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2nonc2C)C1 ZINC001019876072 643043351 /nfs/dbraw/zinc/04/33/51/643043351.db2.gz QWLTUVOGBRYJGL-VIFPVBQESA-N 1 0 236.275 0.368 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC001019868645 643044348 /nfs/dbraw/zinc/04/43/48/643044348.db2.gz IPBVRVOYXVKMBW-NSHDSACASA-N 1 0 234.303 0.260 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC001020033779 643051533 /nfs/dbraw/zinc/05/15/33/643051533.db2.gz NSENHOWJGCUPGJ-XYPYZODXSA-N 1 0 249.314 0.948 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnsn2)C1 ZINC001020007347 643053377 /nfs/dbraw/zinc/05/33/77/643053377.db2.gz IOROMZZNCJMITD-ZKCHVHJHSA-N 1 0 238.316 0.575 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001020041252 643053992 /nfs/dbraw/zinc/05/39/92/643053992.db2.gz VGMZTFVXCZQEHR-HAQNSBGRSA-N 1 0 248.330 0.765 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ncccc2C)C1 ZINC001020055022 643054182 /nfs/dbraw/zinc/05/41/82/643054182.db2.gz CZUJPTDJXJUIBC-HAQNSBGRSA-N 1 0 243.310 0.874 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001020055247 643054711 /nfs/dbraw/zinc/05/47/11/643054711.db2.gz JWAUBZHOYBGHDZ-XYPYZODXSA-N 1 0 244.298 0.923 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001020056162 643054719 /nfs/dbraw/zinc/05/47/19/643054719.db2.gz DMOIEXFNUXRNIZ-WOPNUFJOSA-N 1 0 232.327 0.903 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001020065523 643055815 /nfs/dbraw/zinc/05/58/15/643055815.db2.gz DPODLTYCVNANMB-XYPYZODXSA-N 1 0 248.330 0.683 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC001020081984 643056355 /nfs/dbraw/zinc/05/63/55/643056355.db2.gz WIOJUJIPSYTSMW-XYPYZODXSA-N 1 0 244.298 0.269 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2nccc(C)n2)C1 ZINC001020107817 643058156 /nfs/dbraw/zinc/05/81/56/643058156.db2.gz INWMHHZJOJQJRJ-XYPYZODXSA-N 1 0 246.314 0.821 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2C(F)F)C1 ZINC001020119786 643058618 /nfs/dbraw/zinc/05/86/18/643058618.db2.gz VWEGNAUGFFLTDI-XKNYDFJKSA-N 1 0 242.269 0.758 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001020130634 643061538 /nfs/dbraw/zinc/06/15/38/643061538.db2.gz BFYRUDMODYKNHW-MGCOHNPYSA-N 1 0 232.287 0.202 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001020140374 643061574 /nfs/dbraw/zinc/06/15/74/643061574.db2.gz DGAKPHSYEAWEGJ-XYPYZODXSA-N 1 0 246.314 0.212 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001020277855 643066591 /nfs/dbraw/zinc/06/65/91/643066591.db2.gz VCPPWJANOMHKPB-GUBZILKMSA-N 1 0 242.269 0.902 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)C[NH2+]C1CC1 ZINC000182800930 643067021 /nfs/dbraw/zinc/06/70/21/643067021.db2.gz HFYZTBUIEHPQMM-UHFFFAOYSA-N 1 0 240.303 0.316 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]nc2CC)C1 ZINC001020340265 643067352 /nfs/dbraw/zinc/06/73/52/643067352.db2.gz MVJBMIHKABWRKO-MGCOHNPYSA-N 1 0 246.314 0.456 20 30 BCEDRO C#CCN1CC(CNC(=O)C2CC[NH+](C)CC2)C1 ZINC001031947228 643091398 /nfs/dbraw/zinc/09/13/98/643091398.db2.gz DCSQKBMPAHQUIC-UHFFFAOYSA-N 1 0 249.358 0.009 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)CC)[C@@H](C)C1 ZINC000941692370 643116916 /nfs/dbraw/zinc/11/69/16/643116916.db2.gz IVEXAVBACWEUPG-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO COc1ccc(C[NH2+]C[C@H](O)CO)cc1C#N ZINC000090282879 643131399 /nfs/dbraw/zinc/13/13/99/643131399.db2.gz IYIVNXOCVDXVPZ-NSHDSACASA-N 1 0 236.271 0.010 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@@H](C)C1 ZINC000941849946 643146467 /nfs/dbraw/zinc/14/64/67/643146467.db2.gz KKXPETCWQMYCLE-CMPLNLGQSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)c2cn[nH]c2)C1 ZINC000969338916 643148094 /nfs/dbraw/zinc/14/80/94/643148094.db2.gz PYSCNMVZTIPSAO-SNVBAGLBSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cncc2C)C1 ZINC000969352692 643150080 /nfs/dbraw/zinc/15/00/80/643150080.db2.gz LFNSKADXQXFPPU-GFCCVEGCSA-N 1 0 246.314 0.015 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001031987237 643158052 /nfs/dbraw/zinc/15/80/52/643158052.db2.gz ZUVLQMCLNDCMNU-ZYHUDNBSSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccnn2C)C1 ZINC000969385173 643160515 /nfs/dbraw/zinc/16/05/15/643160515.db2.gz NGVBSFWTCYLWLB-SNVBAGLBSA-N 1 0 248.330 0.656 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001020494536 643163995 /nfs/dbraw/zinc/16/39/95/643163995.db2.gz RNTVOSDJRWFSGO-NJZULAAPSA-N 1 0 232.327 0.903 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(F)CCOC2)C1 ZINC001020511089 643169187 /nfs/dbraw/zinc/16/91/87/643169187.db2.gz NFWWKNOBJVIPKK-NHCYSSNCSA-N 1 0 242.294 0.538 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2ccnnc2)C1 ZINC001032004573 643177264 /nfs/dbraw/zinc/17/72/64/643177264.db2.gz KVBPUUJAYNPKJW-UHFFFAOYSA-N 1 0 244.298 0.162 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)[C@H]2CC23CC3)C1 ZINC001032005905 643180882 /nfs/dbraw/zinc/18/08/82/643180882.db2.gz SLBYXHRWXDTZCN-GFCCVEGCSA-N 1 0 232.327 0.858 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC000969519254 643184906 /nfs/dbraw/zinc/18/49/06/643184906.db2.gz MOZFPUGPUVBAEH-GFCCVEGCSA-N 1 0 246.314 0.097 20 30 BCEDRO CCOCCCNC(=[NH2+])NCCOC(C)C ZINC000184012524 643190082 /nfs/dbraw/zinc/19/00/82/643190082.db2.gz RUVFOVNCDRRRHA-UHFFFAOYSA-N 1 0 231.340 0.742 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2conc2CC)C1 ZINC001020555838 643191078 /nfs/dbraw/zinc/19/10/78/643191078.db2.gz SNXXOWDCEDYZAS-MGCOHNPYSA-N 1 0 247.298 0.721 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001020556977 643192878 /nfs/dbraw/zinc/19/28/78/643192878.db2.gz DYAGIQDDPKYCII-ZKCHVHJHSA-N 1 0 238.266 0.585 20 30 BCEDRO CCN(CC)C(=[NH2+])NC[C@](C)(O)CC ZINC000072272545 643232919 /nfs/dbraw/zinc/23/29/19/643232919.db2.gz RRVQVLPYRZCEJZ-SNVBAGLBSA-N 1 0 201.314 0.804 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2c(C)cnn2C)C1 ZINC000969637130 643203581 /nfs/dbraw/zinc/20/35/81/643203581.db2.gz UPTHGZCDZQKGLD-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(F)CCOC2)C1 ZINC000969706386 643212939 /nfs/dbraw/zinc/21/29/39/643212939.db2.gz JZQQZXZOTBYHEL-ZYHUDNBSSA-N 1 0 242.294 0.492 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2ccncn2)C1 ZINC001032060066 643220182 /nfs/dbraw/zinc/22/01/82/643220182.db2.gz GHYFYLOIBUCMGU-UHFFFAOYSA-N 1 0 244.298 0.162 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ccncn2)C1 ZINC001032059456 643220335 /nfs/dbraw/zinc/22/03/35/643220335.db2.gz CYFBQRVEWMYHCO-UHFFFAOYSA-N 1 0 232.287 0.324 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2cnon2)C1 ZINC001032062352 643221854 /nfs/dbraw/zinc/22/18/54/643221854.db2.gz AHVKHLMCZWUWDD-UHFFFAOYSA-N 1 0 236.275 0.307 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2ncccn2)C1 ZINC001032065282 643225011 /nfs/dbraw/zinc/22/50/11/643225011.db2.gz WZLHLNBNFFKIJH-UHFFFAOYSA-N 1 0 246.314 0.714 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2ncccn2)C1 ZINC001032066087 643226942 /nfs/dbraw/zinc/22/69/42/643226942.db2.gz ZXDTVNCDPHULRU-UHFFFAOYSA-N 1 0 246.314 0.714 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cccnn2)C1 ZINC001032067828 643228522 /nfs/dbraw/zinc/22/85/22/643228522.db2.gz ZWNWRLOWTYDXEI-UHFFFAOYSA-N 1 0 232.287 0.324 20 30 BCEDRO C#Cc1cncc(C(=O)N2CC[C@@H]([NH2+]CC)C2)c1 ZINC000969891271 643242681 /nfs/dbraw/zinc/24/26/81/643242681.db2.gz FVTQFFCRUJWHPO-CYBMUJFWSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@H](C)C1 ZINC000943715721 643255302 /nfs/dbraw/zinc/25/53/02/643255302.db2.gz ABTUPWBYYDRSNK-NXEZZACHSA-N 1 0 248.286 0.143 20 30 BCEDRO C=CCNC(NCC1(O)CCC1)=[NH+]CC ZINC000081772608 643257436 /nfs/dbraw/zinc/25/74/36/643257436.db2.gz ASMVTTJNQBCEQF-UHFFFAOYSA-N 1 0 211.309 0.643 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2ccc(C)n2)C1 ZINC000969998667 643264100 /nfs/dbraw/zinc/26/41/00/643264100.db2.gz SKGYAEUQFYTJMX-GFCCVEGCSA-N 1 0 248.330 0.568 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cccnn2)C1 ZINC001015886451 643268309 /nfs/dbraw/zinc/26/83/09/643268309.db2.gz JARHMTBVMDTKJW-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cncn2C)C1 ZINC000970069431 643281080 /nfs/dbraw/zinc/28/10/80/643281080.db2.gz BHQQECUMJXTDGQ-SNVBAGLBSA-N 1 0 248.330 0.656 20 30 BCEDRO CC[NH+](CC)[C@H](C)CNC(=O)NCC#CCO ZINC000923771073 643299903 /nfs/dbraw/zinc/29/99/03/643299903.db2.gz YSUNXNPWLNQRQR-LLVKDONJSA-N 1 0 241.335 0.012 20 30 BCEDRO C#C[C@@H](C)NC(=O)CCCCN1CCOCC1 ZINC000185363177 643301157 /nfs/dbraw/zinc/30/11/57/643301157.db2.gz ZFWROHPUJVRVRK-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCC(C)(C)C(=O)NCC[N@@H+](C)CCOC ZINC000185423231 643307297 /nfs/dbraw/zinc/30/72/97/643307297.db2.gz UERGDGGIRAQXKN-UHFFFAOYSA-N 1 0 240.347 0.730 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001020824169 643307827 /nfs/dbraw/zinc/30/78/27/643307827.db2.gz LBXJMRLAXRTWAF-GVXVVHGQSA-N 1 0 238.331 0.836 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCCOCC(F)F ZINC000189575208 643308884 /nfs/dbraw/zinc/30/88/84/643308884.db2.gz BBFMJPZMQYQTSC-UHFFFAOYSA-N 1 0 223.267 0.971 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2C)C1 ZINC001020824840 643310431 /nfs/dbraw/zinc/31/04/31/643310431.db2.gz HLRBJTKMHVQRFD-KKOKHZNYSA-N 1 0 236.315 0.281 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCNC(=O)OC(C)(C)C ZINC000306386703 643319874 /nfs/dbraw/zinc/31/98/74/643319874.db2.gz SYRLQWXCGXAVKV-SECBINFHSA-N 1 0 230.308 0.648 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn[nH]c2)CC1(C)C ZINC000995519445 643324037 /nfs/dbraw/zinc/32/40/37/643324037.db2.gz IWDGUBDLVOWIEJ-NSHDSACASA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(CC)on2)C1 ZINC001020945889 643345045 /nfs/dbraw/zinc/34/50/45/643345045.db2.gz ZMOWWRYVLYLBPY-MGCOHNPYSA-N 1 0 247.298 0.721 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001021007743 643382420 /nfs/dbraw/zinc/38/24/20/643382420.db2.gz IMFOMRGSHCACNY-XYPYZODXSA-N 1 0 247.298 0.824 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cncn2)C1 ZINC001021019736 643386175 /nfs/dbraw/zinc/38/61/75/643386175.db2.gz QXOCUQDAUADTDR-XYPYZODXSA-N 1 0 249.318 0.091 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC)n2)C1 ZINC000970177159 643388156 /nfs/dbraw/zinc/38/81/56/643388156.db2.gz OTQZPCFYZFAYEE-LLVKDONJSA-N 1 0 248.330 0.893 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC000970215272 643399206 /nfs/dbraw/zinc/39/92/06/643399206.db2.gz PXPSPXOHSPHPFK-GFCCVEGCSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC000970220969 643401480 /nfs/dbraw/zinc/40/14/80/643401480.db2.gz OXRMMQWEONPAQG-SNVBAGLBSA-N 1 0 234.303 0.708 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC000970226722 643401622 /nfs/dbraw/zinc/40/16/22/643401622.db2.gz AIYCHJISMXXGJT-FRRDWIJNSA-N 1 0 232.327 0.856 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2[nH]nnc2C)C1 ZINC000970249150 643403602 /nfs/dbraw/zinc/40/36/02/643403602.db2.gz UFZXGTPXJMHUPU-QMMMGPOBSA-N 1 0 249.318 0.349 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000970341283 643416191 /nfs/dbraw/zinc/41/61/91/643416191.db2.gz MPQYSPLEJUHZHQ-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000185961726 643416494 /nfs/dbraw/zinc/41/64/94/643416494.db2.gz CEFUGXLGGUYTSB-MNOVXSKESA-N 1 0 235.331 0.792 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2oncc2C)C1 ZINC000970389315 643422064 /nfs/dbraw/zinc/42/20/64/643422064.db2.gz HNUKAVVBROTBGX-SNVBAGLBSA-N 1 0 233.271 0.420 20 30 BCEDRO CNC(NCC(=O)NCc1ccccc1)=[NH+]C ZINC000307241702 643425363 /nfs/dbraw/zinc/42/53/63/643425363.db2.gz HXGJINPQVPPJNK-UHFFFAOYSA-N 1 0 234.303 0.098 20 30 BCEDRO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CC)C2)nc1 ZINC000970518647 643454906 /nfs/dbraw/zinc/45/49/06/643454906.db2.gz VPROHZJTBPWABI-GFCCVEGCSA-N 1 0 243.310 0.887 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)CC1(C)C ZINC000995989639 643459028 /nfs/dbraw/zinc/45/90/28/643459028.db2.gz RAKVOASUMSLUHW-SNVBAGLBSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C)n1 ZINC001032317334 643494836 /nfs/dbraw/zinc/49/48/36/643494836.db2.gz LEJLECKPLSEWEW-QWRGUYRKSA-N 1 0 244.298 0.250 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000970758940 643535904 /nfs/dbraw/zinc/53/59/04/643535904.db2.gz HFNBGABFFPANQB-GFCCVEGCSA-N 1 0 233.315 0.934 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2nccn2CC)C1 ZINC001010806178 643572955 /nfs/dbraw/zinc/57/29/55/643572955.db2.gz NOBRQQIVECNGHD-NSHDSACASA-N 1 0 248.330 0.893 20 30 BCEDRO C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000970870569 643578692 /nfs/dbraw/zinc/57/86/92/643578692.db2.gz VCESBOMNRZZEKZ-VXGBXAGGSA-N 1 0 249.358 0.008 20 30 BCEDRO N#Cc1cc(C[NH2+][C@@H]2CCCNC2=O)cs1 ZINC000921627677 643632645 /nfs/dbraw/zinc/63/26/45/643632645.db2.gz KXGMLIZHFDQDHH-SNVBAGLBSA-N 1 0 235.312 0.988 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccncc2)C1 ZINC000970961006 643637409 /nfs/dbraw/zinc/63/74/09/643637409.db2.gz XONBVIZKZWIMJC-ZDUSSCGKSA-N 1 0 243.310 0.861 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C1CCN(C)CC1 ZINC000320282596 643650212 /nfs/dbraw/zinc/65/02/12/643650212.db2.gz OFQPEURRKSCAPT-GFCCVEGCSA-N 1 0 212.337 0.997 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000971049125 643686454 /nfs/dbraw/zinc/68/64/54/643686454.db2.gz AFKPFVZYUXHRDK-GFCCVEGCSA-N 1 0 246.314 0.200 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000971057973 643689635 /nfs/dbraw/zinc/68/96/35/643689635.db2.gz DLBYKBPBUUVPAJ-NSHDSACASA-N 1 0 231.299 0.794 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)COC)C1 ZINC000998310901 643693215 /nfs/dbraw/zinc/69/32/15/643693215.db2.gz FNFBIVIPIAXQCQ-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(F)F)C1 ZINC000998386176 643703523 /nfs/dbraw/zinc/70/35/23/643703523.db2.gz TZJKVWOYTZDLLW-SECBINFHSA-N 1 0 230.258 0.855 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ccc[nH]2)C1 ZINC000998446107 643707822 /nfs/dbraw/zinc/70/78/22/643707822.db2.gz OVXCDZBAGIARDK-UHFFFAOYSA-N 1 0 231.299 0.841 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000998490412 643708805 /nfs/dbraw/zinc/70/88/05/643708805.db2.gz XNPXISXBPFNZHF-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ncoc2C)C1 ZINC000998513460 643710629 /nfs/dbraw/zinc/71/06/29/643710629.db2.gz UVKMPTUEBINKKO-UHFFFAOYSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cncs2)C1 ZINC000998503370 643711142 /nfs/dbraw/zinc/71/11/42/643711142.db2.gz PFVIKHQRIVBQOV-UHFFFAOYSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)C(C)C)C1 ZINC000998556298 643712003 /nfs/dbraw/zinc/71/20/03/643712003.db2.gz VWPXXPHUQSWZPX-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)SC)C1 ZINC000998594316 643713624 /nfs/dbraw/zinc/71/36/24/643713624.db2.gz USRFAPPHAYZDJB-MNOVXSKESA-N 1 0 240.372 0.952 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](CC)OC)C1 ZINC000998709429 643718527 /nfs/dbraw/zinc/71/85/27/643718527.db2.gz LKTPMOXFKWKGCC-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ncc[nH]2)C1 ZINC000998748788 643721523 /nfs/dbraw/zinc/72/15/23/643721523.db2.gz YLHKNTAPMPIRQN-UHFFFAOYSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ocnc2C)C1 ZINC000998836991 643722188 /nfs/dbraw/zinc/72/21/88/643722188.db2.gz FICPDBKECXROSN-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2cn(C)cn2)C1 ZINC000998915822 643726861 /nfs/dbraw/zinc/72/68/61/643726861.db2.gz MUEVIGIPHHACOZ-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000999055048 643728997 /nfs/dbraw/zinc/72/89/97/643728997.db2.gz QPXHOBIVUYJUPG-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2coc(C)n2)C1 ZINC000998999530 643729278 /nfs/dbraw/zinc/72/92/78/643729278.db2.gz LSODYSALAQANBW-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CC2(F)F)C1 ZINC000999114996 643730044 /nfs/dbraw/zinc/73/00/44/643730044.db2.gz UOYJHOOQHPHURD-VHSXEESVSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ccncn2)C1 ZINC000999565556 643738104 /nfs/dbraw/zinc/73/81/04/643738104.db2.gz DZOPAPBBHCMBKG-UHFFFAOYSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2c[nH]nc2C)C1 ZINC000999852521 643741252 /nfs/dbraw/zinc/74/12/52/643741252.db2.gz MKTRNBURTCUVDN-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2n[nH]nc2C)C1 ZINC000999863205 643743786 /nfs/dbraw/zinc/74/37/86/643743786.db2.gz GYFMZINJSJVLHZ-SNVBAGLBSA-N 1 0 249.318 0.493 20 30 BCEDRO C#CCC[N@H+]1CC=C(CNC(C)=O)CC1 ZINC001000346731 643777525 /nfs/dbraw/zinc/77/75/25/643777525.db2.gz BIKIKMGTWJOUPH-UHFFFAOYSA-N 1 0 206.289 0.778 20 30 BCEDRO C#CC[N@H+]1CC=C(CNC(=O)[C@H]2CCOC2)CC1 ZINC001000496949 643786028 /nfs/dbraw/zinc/78/60/28/643786028.db2.gz SDTKHZKOJHLMIU-ZDUSSCGKSA-N 1 0 248.326 0.404 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001000555316 643791737 /nfs/dbraw/zinc/79/17/37/643791737.db2.gz AZHYVVMHFLQWKM-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001000862295 643797539 /nfs/dbraw/zinc/79/75/39/643797539.db2.gz NNSKHPBIQYGFDE-LLVKDONJSA-N 1 0 249.318 0.045 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001000928625 643799228 /nfs/dbraw/zinc/79/92/28/643799228.db2.gz ONJNDNVZDHQPHF-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000921881759 643816035 /nfs/dbraw/zinc/81/60/35/643816035.db2.gz VLRFGSNPYUVSKX-OPRDCNLKSA-N 1 0 224.308 0.538 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000921881757 643816381 /nfs/dbraw/zinc/81/63/81/643816381.db2.gz VLRFGSNPYUVSKX-BBBLOLIVSA-N 1 0 224.308 0.538 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NC[C@H]1CC[N@@H+]1C ZINC000921881719 643816812 /nfs/dbraw/zinc/81/68/12/643816812.db2.gz UTIUHDGLSZDQJY-DTWKUNHWSA-N 1 0 210.281 0.149 20 30 BCEDRO C[C@H]1[C@H](NC(=O)NCCCC#N)CC[N@@H+]1C ZINC000921905774 643823425 /nfs/dbraw/zinc/82/34/25/643823425.db2.gz HRZWUFLBJBSSIF-VHSXEESVSA-N 1 0 224.308 0.682 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000922040759 643852058 /nfs/dbraw/zinc/85/20/58/643852058.db2.gz PCJOKUJCKCBMDR-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1c[nH]nc1C ZINC000814898605 643855160 /nfs/dbraw/zinc/85/51/60/643855160.db2.gz UVYHWYHSSJRKQW-LURJTMIESA-N 1 0 220.280 0.379 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2ccns2)CC1 ZINC001002940131 643860798 /nfs/dbraw/zinc/86/07/98/643860798.db2.gz MNVSEMGDKSBOPZ-UHFFFAOYSA-N 1 0 249.339 0.971 20 30 BCEDRO CC#CC[NH+]1CCC(NC(=O)c2cnco2)CC1 ZINC001003394750 643887763 /nfs/dbraw/zinc/88/77/63/643887763.db2.gz AVEMRHZZORHIIH-UHFFFAOYSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001016398873 643897254 /nfs/dbraw/zinc/89/72/54/643897254.db2.gz ZMCXWWVJKWCHOG-LBPRGKRZSA-N 1 0 246.314 0.097 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)Cn2nccc21 ZINC000922208069 643903491 /nfs/dbraw/zinc/90/34/91/643903491.db2.gz YQXQMYAYZADVKM-SNVBAGLBSA-N 1 0 248.330 0.984 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922217932 643907303 /nfs/dbraw/zinc/90/73/03/643907303.db2.gz WWTAIKZELNWZDQ-LLVKDONJSA-N 1 0 220.272 0.651 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1cccc(C)c1 ZINC000086156866 643933152 /nfs/dbraw/zinc/93/31/52/643933152.db2.gz BJDWQGOQOYEZRJ-UHFFFAOYSA-N 1 0 216.284 0.834 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001003819502 643949932 /nfs/dbraw/zinc/94/99/32/643949932.db2.gz IHXOKYFVZZDNQM-UHFFFAOYSA-N 1 0 248.286 0.287 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC=C[C@@H]1CO ZINC000922283991 643952576 /nfs/dbraw/zinc/95/25/76/643952576.db2.gz FUUYLDBLFXCZST-LLVKDONJSA-N 1 0 224.304 0.254 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCC1(C#N)CC1 ZINC000922315864 643966440 /nfs/dbraw/zinc/96/64/40/643966440.db2.gz URFUMENROJQHLM-SECBINFHSA-N 1 0 222.292 0.293 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@@H](C#N)C1 ZINC000922479685 644001850 /nfs/dbraw/zinc/00/18/50/644001850.db2.gz YKMFRXWIYGRPSD-QWRGUYRKSA-N 1 0 238.335 0.882 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000922767669 644091313 /nfs/dbraw/zinc/09/13/13/644091313.db2.gz VMTLQWZOEODHRS-DTWKUNHWSA-N 1 0 213.281 0.496 20 30 BCEDRO C=CCONC(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000922766959 644091563 /nfs/dbraw/zinc/09/15/63/644091563.db2.gz MPYXPECOTLZMAH-JTQLQIEISA-N 1 0 245.323 0.370 20 30 BCEDRO Cn1nccc1[C@@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC000922972374 644209680 /nfs/dbraw/zinc/20/96/80/644209680.db2.gz INZWJNDZXZNCFK-LBPRGKRZSA-N 1 0 246.270 0.708 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922992158 644218089 /nfs/dbraw/zinc/21/80/89/644218089.db2.gz AHZIXSZSZZQOAZ-SNVBAGLBSA-N 1 0 241.335 0.317 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCCOC(F)F ZINC000193283914 644231323 /nfs/dbraw/zinc/23/13/23/644231323.db2.gz JMCQDUOETKKSJK-ZETCQYMHSA-N 1 0 239.266 0.555 20 30 BCEDRO C=C[C@H](C)ONC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000923086592 644260904 /nfs/dbraw/zinc/26/09/04/644260904.db2.gz NELLKEJVPKSFHO-IVZWLZJFSA-N 1 0 227.308 0.884 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NC[C@H]1CC[N@@H+]1C ZINC000923086905 644263957 /nfs/dbraw/zinc/26/39/57/644263957.db2.gz RCUZDAKKAMOXBQ-RKDXNWHRSA-N 1 0 213.281 0.496 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CCC([NH+](C)C)CC1 ZINC000193810453 644282485 /nfs/dbraw/zinc/28/24/85/644282485.db2.gz QPHNWMSZTDMDTD-LLVKDONJSA-N 1 0 237.347 0.150 20 30 BCEDRO CON=CC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923270062 644306338 /nfs/dbraw/zinc/30/63/38/644306338.db2.gz KZBDJXMLISAJFZ-ZJUUUORDSA-N 1 0 225.292 0.314 20 30 BCEDRO C=CCC[C@@H](O)CN1CCC[C@@H]([NH2+]C)C1 ZINC000923282202 644314714 /nfs/dbraw/zinc/31/47/14/644314714.db2.gz SQLQPTQCOMUQBN-VXGBXAGGSA-N 1 0 212.337 0.997 20 30 BCEDRO NC(CCO)=NOCC[NH+]1CCCCC1 ZINC000194438705 644319464 /nfs/dbraw/zinc/31/94/64/644319464.db2.gz ZDNUBIBDZWJZHS-UHFFFAOYSA-N 1 0 215.297 0.144 20 30 BCEDRO C=CCC[C@H](O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000923351832 644369740 /nfs/dbraw/zinc/36/97/40/644369740.db2.gz CCLICVBVPLRORE-VHSXEESVSA-N 1 0 234.290 0.852 20 30 BCEDRO C[NH+]=C(NC[C@@]1(O)CCSC1)NC1CC1 ZINC000083053459 644397261 /nfs/dbraw/zinc/39/72/61/644397261.db2.gz ZIKOWNHSFMFXQE-JTQLQIEISA-N 1 0 229.349 0.182 20 30 BCEDRO C=CCC[C@@H](O)CN1CC2CC1(C[NH3+])C2 ZINC000923392014 644399829 /nfs/dbraw/zinc/39/98/29/644399829.db2.gz RMASBTUDYKTDQD-MOENNCHZSA-N 1 0 210.321 0.737 20 30 BCEDRO C[C@@]1(C#N)CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923395662 644402046 /nfs/dbraw/zinc/40/20/46/644402046.db2.gz OYQKQTZOEOYHNJ-NAKRPEOUSA-N 1 0 209.293 0.073 20 30 BCEDRO C[C@]1(C#N)CCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923395664 644403023 /nfs/dbraw/zinc/40/30/23/644403023.db2.gz OYQKQTZOEOYHNJ-XWLWVQCSSA-N 1 0 209.293 0.073 20 30 BCEDRO C=CCC[C@@H](O)CN(CC)[C@@H]1CC[NH2+]C1 ZINC000923426378 644420517 /nfs/dbraw/zinc/42/05/17/644420517.db2.gz TTXARFVIWOTKBO-VXGBXAGGSA-N 1 0 212.337 0.997 20 30 BCEDRO N#C[C@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432426 644426192 /nfs/dbraw/zinc/42/61/92/644426192.db2.gz MINDIHQWVUNNFX-NEPJUHHUSA-N 1 0 235.331 0.600 20 30 BCEDRO C=CCC[C@H](O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923458733 644439428 /nfs/dbraw/zinc/43/94/28/644439428.db2.gz SEUSMXUMYCZTCK-RWMBFGLXSA-N 1 0 224.348 0.997 20 30 BCEDRO N#Cc1cnccc1CN1CCC[C@]([NH3+])(CO)C1 ZINC000923473523 644452317 /nfs/dbraw/zinc/45/23/17/644452317.db2.gz ARLJMAFEOVXLEN-CYBMUJFWSA-N 1 0 246.314 0.239 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)C[C@@H](C)OC)C1 ZINC000923580788 644515418 /nfs/dbraw/zinc/51/54/18/644515418.db2.gz BHWDJWLGPGLKSX-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)CC)C[C@@H]1C ZINC000946936545 644527314 /nfs/dbraw/zinc/52/73/14/644527314.db2.gz ISYXKWYIAMGKNA-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)CC)C[C@H]1C ZINC000946936544 644528054 /nfs/dbraw/zinc/52/80/54/644528054.db2.gz ISYXKWYIAMGKNA-MNOVXSKESA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCSCC[NH2+]CCS(=O)(=O)CC ZINC000231949223 644531389 /nfs/dbraw/zinc/53/13/89/644531389.db2.gz GCENJKCBNWIQQH-UHFFFAOYSA-N 1 0 235.374 0.377 20 30 BCEDRO C=CCONC(=O)N1CC[NH+](C(C)C)CC1 ZINC000838701858 644544164 /nfs/dbraw/zinc/54/41/64/644544164.db2.gz HDQJORHSPJKOTH-UHFFFAOYSA-N 1 0 227.308 0.840 20 30 BCEDRO CCCNC(=[NH2+])NC[C@H](C)CC(=O)OCC ZINC000089596068 644558654 /nfs/dbraw/zinc/55/86/54/644558654.db2.gz ZPMNSNFGOOVXRO-SECBINFHSA-N 1 0 229.324 0.890 20 30 BCEDRO CO[C@H](C)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000749733317 644594887 /nfs/dbraw/zinc/59/48/87/644594887.db2.gz NNNANABGKHDWEM-SNVBAGLBSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000753920314 644606712 /nfs/dbraw/zinc/60/67/12/644606712.db2.gz VOWPZSAQURLIJR-GHMZBOCLSA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCNC(=S)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000758190596 644635251 /nfs/dbraw/zinc/63/52/51/644635251.db2.gz GYISEUNAPTXNCN-JTQLQIEISA-N 1 0 237.372 0.568 20 30 BCEDRO C#CCNC(=S)N1CCCC[C@@H]1C[NH+](C)C ZINC000758215945 644635962 /nfs/dbraw/zinc/63/59/62/644635962.db2.gz FXTSZCGYFJTLRA-LLVKDONJSA-N 1 0 239.388 0.910 20 30 BCEDRO C#CCNC(=S)NCC[N@@H+](C)[C@@H](C)CC ZINC000758216218 644636412 /nfs/dbraw/zinc/63/64/12/644636412.db2.gz LOCMIKQKGHZBHH-JTQLQIEISA-N 1 0 227.377 0.814 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000758239215 644637095 /nfs/dbraw/zinc/63/70/95/644637095.db2.gz KSILDHMUTMUPOA-GHMZBOCLSA-N 1 0 239.388 0.957 20 30 BCEDRO NC(=[NH2+])NN=Cc1cnc(C2OCCO2)s1 ZINC000761781471 644649948 /nfs/dbraw/zinc/64/99/48/644649948.db2.gz LAKUQHLLFPVMAM-UHFFFAOYSA-N 1 0 241.276 0.005 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000773603461 644693760 /nfs/dbraw/zinc/69/37/60/644693760.db2.gz IRIATPVWZKZDKR-UWVGGRQHSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000773603462 644693885 /nfs/dbraw/zinc/69/38/85/644693885.db2.gz IRIATPVWZKZDKR-VHSXEESVSA-N 1 0 209.293 0.402 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc(C#N)s2)N1 ZINC000779804575 644717215 /nfs/dbraw/zinc/71/72/15/644717215.db2.gz FQIMVPZCHGEXAV-ZETCQYMHSA-N 1 0 233.300 0.891 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@H](CNC(=O)C2CC2)C1 ZINC000957783238 644751719 /nfs/dbraw/zinc/75/17/19/644751719.db2.gz DWALGJJTTCBPEF-NEPJUHHUSA-N 1 0 238.331 0.381 20 30 BCEDRO C=CCC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2CC2)C1 ZINC000957798094 644755154 /nfs/dbraw/zinc/75/51/54/644755154.db2.gz QELGRGFAGWOZOK-NEPJUHHUSA-N 1 0 238.331 0.381 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)F ZINC000958058570 644773306 /nfs/dbraw/zinc/77/33/06/644773306.db2.gz RAFNRSWFBGCJGX-URLYPYJESA-N 1 0 238.306 0.804 20 30 BCEDRO C#CCC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000250673569 644775844 /nfs/dbraw/zinc/77/58/44/644775844.db2.gz VYIAXXNCJLNGEM-WDEREUQCSA-N 1 0 206.289 0.610 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccco1 ZINC000958098250 644775971 /nfs/dbraw/zinc/77/59/71/644775971.db2.gz LQQLVWGTUGJZND-PJXYFTJBSA-N 1 0 244.294 0.963 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncc1 ZINC000958080038 644776387 /nfs/dbraw/zinc/77/63/87/644776387.db2.gz WICRHCCCHSOORO-ITGUQSILSA-N 1 0 243.310 0.928 20 30 BCEDRO C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC000958085600 644776478 /nfs/dbraw/zinc/77/64/78/644776478.db2.gz HOXUIHPOTJEWKD-NWDGAFQWSA-N 1 0 249.314 0.223 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1C ZINC000958185738 644780867 /nfs/dbraw/zinc/78/08/67/644780867.db2.gz UICXLVSMDPQKGQ-ITGUQSILSA-N 1 0 244.294 0.881 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC000958285450 644786051 /nfs/dbraw/zinc/78/60/51/644786051.db2.gz PINBSJDEYMGUMT-IAZYJMLFSA-N 1 0 246.314 0.646 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC000958329616 644789729 /nfs/dbraw/zinc/78/97/29/644789729.db2.gz AEWJLGNWYQBAPX-IAZYJMLFSA-N 1 0 245.282 0.358 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncoc1C ZINC000958352650 644791001 /nfs/dbraw/zinc/79/10/01/644791001.db2.gz WPHDXAKDXAGYKG-IAZYJMLFSA-N 1 0 245.282 0.276 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC000958397626 644794071 /nfs/dbraw/zinc/79/40/71/644794071.db2.gz PYMOZCSDIWBQGI-IAZYJMLFSA-N 1 0 245.282 0.358 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCO1 ZINC000303258698 644813110 /nfs/dbraw/zinc/81/31/10/644813110.db2.gz LGCZYFUXFFFXBU-RKDXNWHRSA-N 1 0 215.297 0.105 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1 ZINC000958646451 644816385 /nfs/dbraw/zinc/81/63/85/644816385.db2.gz FLVZOKOXEBABFE-ITGUQSILSA-N 1 0 246.310 0.013 20 30 BCEDRO CC#CC(=O)N(CCOC)CC[NH+](CC)CC ZINC000801151561 644837755 /nfs/dbraw/zinc/83/77/55/644837755.db2.gz SWLUKKJQJSIGLK-UHFFFAOYSA-N 1 0 240.347 0.827 20 30 BCEDRO CC#CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000801145174 644838094 /nfs/dbraw/zinc/83/80/94/644838094.db2.gz KPAQPMVITOXPPX-UHFFFAOYSA-N 1 0 220.276 0.407 20 30 BCEDRO CCCNC(=O)CNC(=[NH2+])NCCC(C)C ZINC000303769381 644844020 /nfs/dbraw/zinc/84/40/20/644844020.db2.gz AZPNWMFCRAENOA-UHFFFAOYSA-N 1 0 228.340 0.463 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCCOCC1CC1 ZINC000303769811 644844594 /nfs/dbraw/zinc/84/45/94/644844594.db2.gz BEHCOJFYCIAALO-JTQLQIEISA-N 1 0 243.351 0.742 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000801924399 644846102 /nfs/dbraw/zinc/84/61/02/644846102.db2.gz OPFCTLVLWWNFAC-WDEREUQCSA-N 1 0 239.319 0.502 20 30 BCEDRO CCCNC(=[NH2+])NCC(C)(C)N1CCOCC1 ZINC000303788734 644846147 /nfs/dbraw/zinc/84/61/47/644846147.db2.gz UPAGLSPGEGAWEZ-UHFFFAOYSA-N 1 0 242.367 0.412 20 30 BCEDRO CC(C)OC(=O)CC[NH+]=C(N(C)C)N(C)C ZINC000303778073 644846242 /nfs/dbraw/zinc/84/62/42/644846242.db2.gz JINBEJCAKGZTHC-UHFFFAOYSA-N 1 0 229.324 0.807 20 30 BCEDRO COCCOCCCNC(=[NH2+])N1CCCCC1 ZINC000303780284 644846477 /nfs/dbraw/zinc/84/64/77/644846477.db2.gz LGQGJPHCAGXMFV-UHFFFAOYSA-N 1 0 243.351 0.840 20 30 BCEDRO CC(=O)NCCNC(=[NH2+])Nc1cccc(C)c1 ZINC000303789509 644846963 /nfs/dbraw/zinc/84/69/63/644846963.db2.gz VKKLVYCTLRDPBS-UHFFFAOYSA-N 1 0 234.303 0.858 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000303793329 644847327 /nfs/dbraw/zinc/84/73/27/644847327.db2.gz ZLZUVEHXLTWWDS-UHFFFAOYSA-N 1 0 246.314 0.766 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](O)COCC(C)C ZINC000303872483 644850494 /nfs/dbraw/zinc/85/04/94/644850494.db2.gz BZVKSWPQHXNHOV-NSHDSACASA-N 1 0 243.351 0.500 20 30 BCEDRO CCCCCCNC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303863589 644851051 /nfs/dbraw/zinc/85/10/51/644851051.db2.gz AGMZUAOMUDVFAA-UHFFFAOYSA-N 1 0 242.367 0.983 20 30 BCEDRO CCOc1ccc(C=NNC(N)=[NH2+])cc1 ZINC000252447079 644851255 /nfs/dbraw/zinc/85/12/55/644851255.db2.gz FSNJPHBYRCJNGM-UHFFFAOYSA-N 1 0 206.249 0.902 20 30 BCEDRO [NH2+]=C(NCc1ccccc1CO)N1CCOCC1 ZINC000303873648 644852200 /nfs/dbraw/zinc/85/22/00/644852200.db2.gz GVGNCSDKRMBDII-UHFFFAOYSA-N 1 0 249.314 0.326 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc(-n2cccn2)cc1 ZINC000252453607 644852482 /nfs/dbraw/zinc/85/24/82/644852482.db2.gz OYQIWTKODCDDOM-UHFFFAOYSA-N 1 0 228.259 0.689 20 30 BCEDRO C#Cc1cncc(C(=O)NC[C@H](C)[NH+](C)C)c1 ZINC000806438385 644852610 /nfs/dbraw/zinc/85/26/10/644852610.db2.gz CEEFMRXRNMRQNS-JTQLQIEISA-N 1 0 231.299 0.743 20 30 BCEDRO CCCCNC(=[NH2+])NCc1nc(C)no1 ZINC000303899028 644855776 /nfs/dbraw/zinc/85/57/76/644855776.db2.gz VXBBLBZLOXPXJO-UHFFFAOYSA-N 1 0 211.269 0.582 20 30 BCEDRO Cn1nccc1CNC(=[NH2+])N1CCCCC1 ZINC000303897589 644855872 /nfs/dbraw/zinc/85/58/72/644855872.db2.gz QQHZRQQDALKNCJ-UHFFFAOYSA-N 1 0 221.308 0.721 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCCCC(=O)OC ZINC000303897375 644856037 /nfs/dbraw/zinc/85/60/37/644856037.db2.gz UZNWQZQUFXXAIA-VIFPVBQESA-N 1 0 245.323 0.269 20 30 BCEDRO Cc1noc(CCNC(=[NH2+])N2CCCCC2)n1 ZINC000303980501 644863526 /nfs/dbraw/zinc/86/35/26/644863526.db2.gz ODMFOWLEFWZCPV-UHFFFAOYSA-N 1 0 237.307 0.721 20 30 BCEDRO CCCNC(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000303984505 644863615 /nfs/dbraw/zinc/86/36/15/644863615.db2.gz SBQMDDAGYYPLII-UHFFFAOYSA-N 1 0 228.340 0.463 20 30 BCEDRO CC[N@H+](CCO[C@@H](C)C#N)CC(=O)N(C)C ZINC000304205486 644875537 /nfs/dbraw/zinc/87/55/37/644875537.db2.gz CWEGVPVPYZDGHH-JTQLQIEISA-N 1 0 227.308 0.325 20 30 BCEDRO COC(=O)[C@@H]1C[N@H+](CCO[C@@H](C)C#N)C[C@H]1C ZINC000304260549 644881792 /nfs/dbraw/zinc/88/17/92/644881792.db2.gz SZTDDWQYJXLWEL-OUAUKWLOSA-N 1 0 240.303 0.656 20 30 BCEDRO CCCC[N@H+](CCO[C@H](C)C#N)CC(N)=O ZINC000304245025 644882842 /nfs/dbraw/zinc/88/28/42/644882842.db2.gz OZHDFIKFQSPKPT-SNVBAGLBSA-N 1 0 227.308 0.502 20 30 BCEDRO CNC(=[NH2+])NCC[S@](=O)C(C)(C)C ZINC000304246821 644882969 /nfs/dbraw/zinc/88/29/69/644882969.db2.gz VXBAPRSYIZLBBL-ZDUSSCGKSA-N 1 0 205.327 0.068 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000304260472 644884626 /nfs/dbraw/zinc/88/46/26/644884626.db2.gz ATAJNWZHJWMKOC-ZJUUUORDSA-N 1 0 222.292 0.999 20 30 BCEDRO C[C@H](C#N)OCCN1CCC([NH+](C)C)CC1 ZINC000304263511 644884694 /nfs/dbraw/zinc/88/46/94/644884694.db2.gz UIPDZYVEAXHQRO-LLVKDONJSA-N 1 0 225.336 0.941 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(C[C@H](O)CC#N)C1 ZINC000809573462 644892372 /nfs/dbraw/zinc/89/23/72/644892372.db2.gz MLRFRIFOGAYEAR-WDEREUQCSA-N 1 0 211.309 0.287 20 30 BCEDRO CCCCOCCOCCNC(N)=[NH2+] ZINC000304332242 644893481 /nfs/dbraw/zinc/89/34/81/644893481.db2.gz ROGYVDRCLAMXMV-UHFFFAOYSA-N 1 0 203.286 0.093 20 30 BCEDRO COC(C)(C)CNC(=[NH2+])N1CCSCC1 ZINC000304742208 644929345 /nfs/dbraw/zinc/92/93/45/644929345.db2.gz CMTXATHNWRVKKZ-UHFFFAOYSA-N 1 0 231.365 0.775 20 30 BCEDRO CCCC[N@H+](C)CCNC(=[NH2+])N[C@H](C)COC ZINC000304755826 644931129 /nfs/dbraw/zinc/93/11/29/644931129.db2.gz NCWNTVIGBDCKOX-LLVKDONJSA-N 1 0 244.383 0.658 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@@H](C)CN1CCOCC1 ZINC000304765197 644932671 /nfs/dbraw/zinc/93/26/71/644932671.db2.gz YYXUAQJAIJRPIV-LLVKDONJSA-N 1 0 242.367 0.267 20 30 BCEDRO CCNC(NCCCO[C@H]1CCOC1)=[NH+]CC ZINC000304994788 644943234 /nfs/dbraw/zinc/94/32/34/644943234.db2.gz FIWSINMOMDPXKL-NSHDSACASA-N 1 0 243.351 0.757 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](C(F)F)C1 ZINC000815078649 644950813 /nfs/dbraw/zinc/95/08/13/644950813.db2.gz FCBABOCYCDDBAH-VIFPVBQESA-N 1 0 230.258 0.713 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)c1ccncc1 ZINC000819132543 645007327 /nfs/dbraw/zinc/00/73/27/645007327.db2.gz FHLVHOFULYTRAP-LBPRGKRZSA-N 1 0 245.326 0.914 20 30 BCEDRO CN1CCN([NH+]=Cc2ccncc2N)CC1 ZINC000819801051 645019802 /nfs/dbraw/zinc/01/98/02/645019802.db2.gz KOAITZYLSCXZPC-UHFFFAOYSA-N 1 0 219.292 0.245 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CC#N)CC[C@H]21 ZINC000827277739 645076531 /nfs/dbraw/zinc/07/65/31/645076531.db2.gz OTSJMBWFDIAWOT-NXEZZACHSA-N 1 0 207.277 0.453 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(C(=O)CC#N)CC[C@H]21 ZINC000827277741 645076820 /nfs/dbraw/zinc/07/68/20/645076820.db2.gz OTSJMBWFDIAWOT-VHSXEESVSA-N 1 0 207.277 0.453 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827321708 645078445 /nfs/dbraw/zinc/07/84/45/645078445.db2.gz WFBTZKXGXIUTKM-RYUDHWBXSA-N 1 0 238.331 0.742 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CCC(=O)NC)C1 ZINC000829778821 645111374 /nfs/dbraw/zinc/11/13/74/645111374.db2.gz HWEBRHZJLGMPJG-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO CC(C)COCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834521596 645143140 /nfs/dbraw/zinc/14/31/40/645143140.db2.gz NTTIZIJWWFCGLZ-MNOVXSKESA-N 1 0 239.319 0.277 20 30 BCEDRO CCOCCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834521244 645143562 /nfs/dbraw/zinc/14/35/62/645143562.db2.gz FQJUHLZHGBPIED-ZJUUUORDSA-N 1 0 225.292 0.031 20 30 BCEDRO CCOCCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834521243 645143624 /nfs/dbraw/zinc/14/36/24/645143624.db2.gz FQJUHLZHGBPIED-VHSXEESVSA-N 1 0 225.292 0.031 20 30 BCEDRO C[C@H]1CC(N=Nc2ccncn2)C[N@@H+]1C ZINC000835002921 645157319 /nfs/dbraw/zinc/15/73/19/645157319.db2.gz URQSLMIUUYGHRN-QMMMGPOBSA-N 1 0 205.265 0.969 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C)C(C)(C)O ZINC000836808803 645176300 /nfs/dbraw/zinc/17/63/00/645176300.db2.gz FUOFBNOZZLWKBG-JTQLQIEISA-N 1 0 228.336 0.722 20 30 BCEDRO C#CCNC(=O)NC[C@@H]([NH3+])c1ccccc1OC ZINC000841506235 645217023 /nfs/dbraw/zinc/21/70/23/645217023.db2.gz NQSJHCSLUSHGHL-LLVKDONJSA-N 1 0 247.298 0.627 20 30 BCEDRO Cc1cc(N(C)C)ccc1C=NNC(N)=[NH2+] ZINC000841619661 645219550 /nfs/dbraw/zinc/21/95/50/645219550.db2.gz OKPGCVBPGGRMNX-UHFFFAOYSA-N 1 0 219.292 0.878 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CCC(C)C ZINC000843078743 645261906 /nfs/dbraw/zinc/26/19/06/645261906.db2.gz WFMYIZZONUUJHV-VXGBXAGGSA-N 1 0 213.321 0.757 20 30 BCEDRO C=CCCc1noc([C@@H]2C[NH2+]CCO2)n1 ZINC000843237798 645272634 /nfs/dbraw/zinc/27/26/34/645272634.db2.gz HMQLHNJPEWMWKL-QMMMGPOBSA-N 1 0 209.249 0.849 20 30 BCEDRO C[NH2+]CCN(C)Cc1ccncc1C#N ZINC000843388590 645289204 /nfs/dbraw/zinc/28/92/04/645289204.db2.gz STVBHWAVRCEJGY-UHFFFAOYSA-N 1 0 204.277 0.604 20 30 BCEDRO COC(=O)CC1([NH2+]CCOCCC#N)CC1 ZINC000844387122 645327030 /nfs/dbraw/zinc/32/70/30/645327030.db2.gz SWQNVVMFAJFULS-UHFFFAOYSA-N 1 0 226.276 0.602 20 30 BCEDRO C#CC[NH2+]CC(=O)N(C)Cc1ccc(OC)cc1 ZINC000105964408 645368404 /nfs/dbraw/zinc/36/84/04/645368404.db2.gz ACIAEJFXHJNPGX-UHFFFAOYSA-N 1 0 246.310 0.876 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCCC[C@@H]1CO ZINC000847018219 645416953 /nfs/dbraw/zinc/41/69/53/645416953.db2.gz XEGROQRZXMEJOJ-GFCCVEGCSA-N 1 0 238.331 0.363 20 30 BCEDRO CC[C@H]1COC[C@H]1[NH+]1CCN(CCC#N)CC1 ZINC000926807242 645440633 /nfs/dbraw/zinc/44/06/33/645440633.db2.gz KBMMKZLPAXQNSQ-QWHCGFSZSA-N 1 0 237.347 0.943 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@H]2CN3C[C@@H]2CCC3)C1 ZINC000926870013 645465705 /nfs/dbraw/zinc/46/57/05/645465705.db2.gz ZLVJFOPNFQDMMG-ZNMIVQPWSA-N 1 0 247.386 0.768 20 30 BCEDRO C=C(Cl)CN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000852752619 645487937 /nfs/dbraw/zinc/48/79/37/645487937.db2.gz FJMWIVWMZTYKCK-WDEREUQCSA-N 1 0 240.738 0.899 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC(CC#N)C1 ZINC000855473660 645524464 /nfs/dbraw/zinc/52/44/64/645524464.db2.gz LNDYYHVOSHQFMP-UHFFFAOYSA-N 1 0 207.277 0.476 20 30 BCEDRO Cn1nnc2c1C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)CC2 ZINC000927142489 645567119 /nfs/dbraw/zinc/56/71/19/645567119.db2.gz CLYCGDRKTFFANW-GARJFASQSA-N 1 0 245.330 0.954 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927696994 645640080 /nfs/dbraw/zinc/64/00/80/645640080.db2.gz HEEHRFMUDQWOMG-ZDUSSCGKSA-N 1 0 249.314 0.701 20 30 BCEDRO CC#CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000928087951 645701895 /nfs/dbraw/zinc/70/18/95/645701895.db2.gz WRTBHOHFTMJQNS-GHMZBOCLSA-N 1 0 238.356 0.706 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](C#N)C1 ZINC000928218428 645713831 /nfs/dbraw/zinc/71/38/31/645713831.db2.gz HGRNMINOMPMBRP-LLVKDONJSA-N 1 0 221.304 0.866 20 30 BCEDRO CC(C)C#CC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928436883 645744412 /nfs/dbraw/zinc/74/44/12/645744412.db2.gz VYPHGCNPOYPCSW-QWRGUYRKSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928437560 645755558 /nfs/dbraw/zinc/75/55/58/645755558.db2.gz XHOFMLJLNHQXFJ-HBNTYKKESA-N 1 0 224.304 0.234 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C ZINC000928438692 645756080 /nfs/dbraw/zinc/75/60/80/645756080.db2.gz GXZVMZDSQHMUIH-WPRPVWTQSA-N 1 0 232.287 0.709 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928436926 645758758 /nfs/dbraw/zinc/75/87/58/645758758.db2.gz WINCNBCFYMCXSH-QXEWZRGKSA-N 1 0 212.293 0.132 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)nc1 ZINC000928447597 645773960 /nfs/dbraw/zinc/77/39/60/645773960.db2.gz LFFZFROVXLJDGU-CMPLNLGQSA-N 1 0 243.310 0.885 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)c1coc(C#N)c1)C2 ZINC000877371089 645793902 /nfs/dbraw/zinc/79/39/02/645793902.db2.gz LGEXLDKSIWCHAP-GXFFZTMASA-N 1 0 245.282 0.833 20 30 BCEDRO C=CC[N@@H+](C[C@@H](O)C1(O)CCOCC1)C1CC1 ZINC000930174485 645811850 /nfs/dbraw/zinc/81/18/50/645811850.db2.gz AUYMGTZAZZGWPN-GFCCVEGCSA-N 1 0 241.331 0.539 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880527825 645835772 /nfs/dbraw/zinc/83/57/72/645835772.db2.gz VOPFTWZESUEPFC-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H]2CCNC(=O)[C@@H]21 ZINC000880527827 645835785 /nfs/dbraw/zinc/83/57/85/645835785.db2.gz VOPFTWZESUEPFC-NWDGAFQWSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)/C=C\COC)CC1 ZINC000928653118 645852393 /nfs/dbraw/zinc/85/23/93/645852393.db2.gz ZREFYFUUACALBW-PLNGDYQASA-N 1 0 236.315 0.403 20 30 BCEDRO C#CC(=O)N[C@H](CC[NH+](C)C)c1cccnc1 ZINC000928843960 645866702 /nfs/dbraw/zinc/86/67/02/645866702.db2.gz WURDZANJQMKZBU-GFCCVEGCSA-N 1 0 231.299 0.824 20 30 BCEDRO C#C[C@@H](NC[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000300965208 645899164 /nfs/dbraw/zinc/89/91/64/645899164.db2.gz RLLAFSBMYCQMAF-CHWSQXEVSA-N 1 0 224.348 0.691 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000924010501 645969018 /nfs/dbraw/zinc/96/90/18/645969018.db2.gz DIOPTENJYNREBC-TUAOUCFPSA-N 1 0 238.331 0.334 20 30 BCEDRO C=C(C)C[N@H+](CC)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000929217624 646017543 /nfs/dbraw/zinc/01/75/43/646017543.db2.gz MVOXNWYVADJQFH-OLZOCXBDSA-N 1 0 243.347 0.787 20 30 BCEDRO C=CC[NH+](CC=C)C[C@@H](O)C1(O)CCOCC1 ZINC000929259882 646042382 /nfs/dbraw/zinc/04/23/82/646042382.db2.gz QIVHQDOIJUYMFZ-GFCCVEGCSA-N 1 0 241.331 0.563 20 30 BCEDRO Cn1nccc1[C@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000929292634 646068588 /nfs/dbraw/zinc/06/85/88/646068588.db2.gz GAWWEWDQKPVZRZ-NWDGAFQWSA-N 1 0 248.330 0.874 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)C[C@H]1CCCCO1 ZINC000929329167 646081189 /nfs/dbraw/zinc/08/11/89/646081189.db2.gz BESZPCGVKRJYLG-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)C[C@@H]1CCCCO1 ZINC000929329168 646083033 /nfs/dbraw/zinc/08/30/33/646083033.db2.gz BESZPCGVKRJYLG-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)[C@H](C)O)C1CCCCC1 ZINC000929362807 646097256 /nfs/dbraw/zinc/09/72/56/646097256.db2.gz WOBQOQVCODJQPB-AAEUAGOBSA-N 1 0 225.332 0.996 20 30 BCEDRO C[NH+](C)C[C@@H]1NC(=O)N(CC(C)(C)C#N)C1=O ZINC000924850557 646119692 /nfs/dbraw/zinc/11/96/92/646119692.db2.gz UVYSDPWQVSCPFQ-QMMMGPOBSA-N 1 0 238.291 0.018 20 30 BCEDRO COC(=O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000929474115 646131272 /nfs/dbraw/zinc/13/12/72/646131272.db2.gz HYRNULRBUBDLLX-WDEREUQCSA-N 1 0 240.303 0.679 20 30 BCEDRO CC(C)(C)C[N@H+](CCO)C[C@H](O)CC#N ZINC000929595062 646189605 /nfs/dbraw/zinc/18/96/05/646189605.db2.gz AWZQAFBOBDYOIN-SNVBAGLBSA-N 1 0 214.309 0.601 20 30 BCEDRO C=C(C)C[C@@H]1NC(=O)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000925196921 646206526 /nfs/dbraw/zinc/20/65/26/646206526.db2.gz POGTZXCXICSAGE-ZJUUUORDSA-N 1 0 237.303 0.577 20 30 BCEDRO C=CCN1CC(=O)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000925198153 646206539 /nfs/dbraw/zinc/20/65/39/646206539.db2.gz ZILZHQFSMBQZRB-VIFPVBQESA-N 1 0 223.276 0.141 20 30 BCEDRO C=CCN1CC(=O)N(C[C@@H]2CCC[N@H+]2C)C1=O ZINC000925287820 646231536 /nfs/dbraw/zinc/23/15/36/646231536.db2.gz HABMRHUOXXSOCD-JTQLQIEISA-N 1 0 237.303 0.531 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC000925330649 646242135 /nfs/dbraw/zinc/24/21/35/646242135.db2.gz FYPXNSLNIDMIDR-ZYHUDNBSSA-N 1 0 235.331 0.886 20 30 BCEDRO C=CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925336989 646246138 /nfs/dbraw/zinc/24/61/38/646246138.db2.gz GATQGRHHZQVCCE-NXEZZACHSA-N 1 0 211.309 0.906 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCC(C#N)CC1 ZINC000925407630 646262161 /nfs/dbraw/zinc/26/21/61/646262161.db2.gz MHOCLWCDPVRTRW-NSHDSACASA-N 1 0 236.319 0.636 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925403648 646263313 /nfs/dbraw/zinc/26/33/13/646263313.db2.gz NFJAGSJMTLEJAM-VHSXEESVSA-N 1 0 224.308 0.492 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925422664 646272553 /nfs/dbraw/zinc/27/25/53/646272553.db2.gz APLZTVPUSRDSFI-JTQLQIEISA-N 1 0 238.335 0.882 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925430861 646277708 /nfs/dbraw/zinc/27/77/08/646277708.db2.gz CCLNBNCBKYXGEK-QWRGUYRKSA-N 1 0 241.335 0.317 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925432735 646277743 /nfs/dbraw/zinc/27/77/43/646277743.db2.gz URPXZAWFQYIVDD-MNOVXSKESA-N 1 0 241.335 0.317 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](COCCOC)C1 ZINC000929733335 646277617 /nfs/dbraw/zinc/27/76/17/646277617.db2.gz RUMXRJWTCCWCJV-CHWSQXEVSA-N 1 0 243.347 0.908 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@@H](C#N)C1 ZINC000925432772 646280400 /nfs/dbraw/zinc/28/04/00/646280400.db2.gz OXJCPUIZKQGOLD-WDEREUQCSA-N 1 0 236.319 0.636 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)c1cnnn1C ZINC000925455176 646285905 /nfs/dbraw/zinc/28/59/05/646285905.db2.gz LEYUVLIFSCKTSP-VIFPVBQESA-N 1 0 224.333 0.832 20 30 BCEDRO C[C@H]1C[C@@H](N(C)C[C@H](O)CC#N)CC[N@@H+]1C ZINC000929782384 646299165 /nfs/dbraw/zinc/29/91/65/646299165.db2.gz MGUQEWDNFVITTD-SDDRHHMPSA-N 1 0 225.336 0.675 20 30 BCEDRO CC(C)CCN(CCC#N)C[C@@H](O)[C@@H](C)O ZINC000929778311 646306564 /nfs/dbraw/zinc/30/65/64/646306564.db2.gz GKAWYICNGGLTKQ-VXGBXAGGSA-N 1 0 228.336 0.990 20 30 BCEDRO CC(C)CCN(CCC#N)C[C@H](O)[C@@H](C)O ZINC000929778308 646306919 /nfs/dbraw/zinc/30/69/19/646306919.db2.gz GKAWYICNGGLTKQ-NEPJUHHUSA-N 1 0 228.336 0.990 20 30 BCEDRO C[C@@H]1N(C[C@H](O)CC#N)CCOC1(C)C ZINC000929840943 646353460 /nfs/dbraw/zinc/35/34/60/646353460.db2.gz IPZPTHDBGOCOTJ-VHSXEESVSA-N 1 0 212.293 0.760 20 30 BCEDRO N#CC1CCC(C[NH2+][C@@H]2CNCCOC2)CC1 ZINC000925653022 646389960 /nfs/dbraw/zinc/38/99/60/646389960.db2.gz CKMYHFBASRNMRY-WXRRBKDZSA-N 1 0 237.347 0.894 20 30 BCEDRO N#C[C@@H]1CC[C@H](N[C@H]2C[NH2+]CCOC2)C1 ZINC000925703458 646427548 /nfs/dbraw/zinc/42/75/48/646427548.db2.gz FZHQTMYTFHONRT-VWYCJHECSA-N 1 0 209.293 0.257 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)C[C@H]1CCC[C@H]1O ZINC000930096161 646432804 /nfs/dbraw/zinc/43/28/04/646432804.db2.gz GBHVTGQMHGVJJF-GMTAPVOTSA-N 1 0 212.293 0.354 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+](C)CCc1cnccn1 ZINC000930169662 646469721 /nfs/dbraw/zinc/46/97/21/646469721.db2.gz FCSRFTKPMOMHRD-GFCCVEGCSA-N 1 0 221.304 0.888 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000925772853 646472990 /nfs/dbraw/zinc/47/29/90/646472990.db2.gz VKEQOYSWFJPVDR-UPJWGTAASA-N 1 0 242.363 0.670 20 30 BCEDRO N#Cc1ccc(NCCN[C@H]2CC[NH2+]C2)nc1 ZINC000925894479 646535404 /nfs/dbraw/zinc/53/54/04/646535404.db2.gz YRUDMDQJGNSHOE-NSHDSACASA-N 1 0 231.303 0.317 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1COC[C@H]1CC ZINC000926123986 646578789 /nfs/dbraw/zinc/57/87/89/646578789.db2.gz BHQZGNVKIUZFIL-GHMZBOCLSA-N 1 0 247.360 0.602 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926151631 646583912 /nfs/dbraw/zinc/58/39/12/646583912.db2.gz BZILDUULGQHFCE-RKDXNWHRSA-N 1 0 210.281 0.403 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926151628 646583970 /nfs/dbraw/zinc/58/39/70/646583970.db2.gz BZILDUULGQHFCE-BDAKNGLRSA-N 1 0 210.281 0.403 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1COC[C@@H]1C)[C@H]1CCCO1 ZINC000926211475 646590636 /nfs/dbraw/zinc/59/06/36/646590636.db2.gz UTTHZJYHDQQFMA-NNYUYHANSA-N 1 0 209.289 0.792 20 30 BCEDRO COCCOCCCC[NH+]=C(N(C)C)N(C)C ZINC000104190975 711575264 /nfs/dbraw/zinc/57/52/64/711575264.db2.gz HALUQOBVTNEWPM-UHFFFAOYSA-N 1 0 245.367 0.909 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001038042120 711578496 /nfs/dbraw/zinc/57/84/96/711578496.db2.gz VVKVBGFOSSHKKQ-VXGBXAGGSA-N 1 0 236.315 0.379 20 30 BCEDRO CNC(=O)CC[N@H+](C)Cc1cncc(C#N)c1 ZINC000721515995 711586203 /nfs/dbraw/zinc/58/62/03/711586203.db2.gz IUDGESHPSQPBNY-UHFFFAOYSA-N 1 0 232.287 0.521 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]CCCc1cnn(C)c1 ZINC000717747372 711617056 /nfs/dbraw/zinc/61/70/56/711617056.db2.gz CHGFATDARFKZFD-LBPRGKRZSA-N 1 0 221.304 0.327 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCCOCC1 ZINC000717792683 711622640 /nfs/dbraw/zinc/62/26/40/711622640.db2.gz AWBFCVZSSULYAV-NWDGAFQWSA-N 1 0 211.305 0.919 20 30 BCEDRO C[NH+]1CCC(CC(=O)NCCC#N)CC1 ZINC000487509541 711799709 /nfs/dbraw/zinc/79/97/09/711799709.db2.gz ZUFOWIWQASMHTH-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(F)F)C1 ZINC001076673844 711807990 /nfs/dbraw/zinc/80/79/90/711807990.db2.gz FEEQGFKOVCEGAD-RKDXNWHRSA-N 1 0 248.273 0.379 20 30 BCEDRO C=C[C@H](C)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000381574942 711820979 /nfs/dbraw/zinc/82/09/79/711820979.db2.gz ZKIGRNVQBLYAKV-UWVGGRQHSA-N 1 0 212.293 0.446 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccoc1 ZINC000913515796 711823749 /nfs/dbraw/zinc/82/37/49/711823749.db2.gz NOUNMILCXRPEAJ-UHFFFAOYSA-N 1 0 206.245 0.574 20 30 BCEDRO C[C@H]1C[C@H](C(=O)NCC#CC[NH+](C)C)CO1 ZINC000913520910 711823932 /nfs/dbraw/zinc/82/39/32/711823932.db2.gz DBSSWLPIBHGTBL-QWRGUYRKSA-N 1 0 224.304 0.093 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001038099313 711824916 /nfs/dbraw/zinc/82/49/16/711824916.db2.gz WNFKTESXFFUCJQ-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001077515916 711846268 /nfs/dbraw/zinc/84/62/68/711846268.db2.gz USZBXIRQQHOQEF-DDHJBXDOSA-N 1 0 238.331 0.380 20 30 BCEDRO C#CCCNC(=S)NC[C@@H]1CCC[N@H+]1CC ZINC000733213799 711903629 /nfs/dbraw/zinc/90/36/29/711903629.db2.gz ZFGNXDQOHYROFV-NSHDSACASA-N 1 0 239.388 0.958 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C1 ZINC001078051076 711939386 /nfs/dbraw/zinc/93/93/86/711939386.db2.gz RAWIZYFFFFBCDD-GHMZBOCLSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@@H]1CO ZINC000701637705 712025869 /nfs/dbraw/zinc/02/58/69/712025869.db2.gz QGPLWBJDPHUHDN-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)CC1(C)COC1 ZINC000702968083 712062568 /nfs/dbraw/zinc/06/25/68/712062568.db2.gz CWOUFRPQZUXFGP-JTQLQIEISA-N 1 0 212.293 0.883 20 30 BCEDRO C[C@]1(C#N)CCN(CCN2CCOC2=O)C1 ZINC000703278942 712069532 /nfs/dbraw/zinc/06/95/32/712069532.db2.gz MWYZIFYCCCCAIN-LLVKDONJSA-N 1 0 223.276 0.674 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000703674225 712082695 /nfs/dbraw/zinc/08/26/95/712082695.db2.gz LZJOBJYUJGSVDM-QWRGUYRKSA-N 1 0 225.336 0.300 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)COC)C[C@H]1C ZINC001035871034 712148221 /nfs/dbraw/zinc/14/82/21/712148221.db2.gz UWUQYKORGQBEQE-GHMZBOCLSA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)C[NH2+]CC ZINC000707269991 712168134 /nfs/dbraw/zinc/16/81/34/712168134.db2.gz OZFNQGIKPJMWMZ-UHFFFAOYSA-N 1 0 228.292 0.174 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H](O)C(C)C)CC1 ZINC000708152425 712183524 /nfs/dbraw/zinc/18/35/24/712183524.db2.gz OVYPZEZWIUKQNO-NSHDSACASA-N 1 0 211.305 0.463 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000708698843 712197399 /nfs/dbraw/zinc/19/73/99/712197399.db2.gz PJGDCJSKKLGNHD-HBNTYKKESA-N 1 0 212.293 0.760 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2CN(C(C)=O)CC[C@@H]21 ZINC001036604573 712199470 /nfs/dbraw/zinc/19/94/70/712199470.db2.gz HIRKHQKRIZZAMJ-NEPJUHHUSA-N 1 0 206.289 0.562 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2CN(C(=O)COC)CC[C@H]21 ZINC001036607146 712200232 /nfs/dbraw/zinc/20/02/32/712200232.db2.gz SBLOGEQGADVWTJ-VXGBXAGGSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2CN(C(=O)C(F)F)CC[C@H]21 ZINC001036611369 712225128 /nfs/dbraw/zinc/22/51/28/712225128.db2.gz CDFMIRVPDINMQY-VHSXEESVSA-N 1 0 242.269 0.808 20 30 BCEDRO C#CCCCS(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000710309446 712251635 /nfs/dbraw/zinc/25/16/35/712251635.db2.gz JSHVXKYUMUBDBG-NSHDSACASA-N 1 0 246.376 0.517 20 30 BCEDRO C#CCCS(=O)(=O)N1CCC([NH+](C)C)CC1 ZINC000711064636 712278097 /nfs/dbraw/zinc/27/80/97/712278097.db2.gz DJLBUIZMIUYXQI-UHFFFAOYSA-N 1 0 244.360 0.366 20 30 BCEDRO C#CCCS(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000711065085 712278321 /nfs/dbraw/zinc/27/83/21/712278321.db2.gz KNEJPWLFIFEMNO-LLVKDONJSA-N 1 0 244.360 0.366 20 30 BCEDRO C#CCCS(=O)(=O)NCC[N@@H+](CC)C1CC1 ZINC000711065095 712278329 /nfs/dbraw/zinc/27/83/29/712278329.db2.gz LGLOFQZTMVIARE-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC)C1 ZINC001079324164 712346142 /nfs/dbraw/zinc/34/61/42/712346142.db2.gz DUGOEUPVSKLMOC-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO N#CCCOCC[NH2+][C@@H](CCO)C1CC1 ZINC000378744593 712360751 /nfs/dbraw/zinc/36/07/51/712360751.db2.gz QSDWLLGBELURHQ-NSHDSACASA-N 1 0 212.293 0.667 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cc(F)c(N)c(F)c1 ZINC000378933603 712366881 /nfs/dbraw/zinc/36/68/81/712366881.db2.gz YFMZNMCOGLQAIP-UHFFFAOYSA-N 1 0 227.218 0.754 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C=C1CCC1 ZINC000379455397 712384791 /nfs/dbraw/zinc/38/47/91/712384791.db2.gz MYRRXFHHWKZGLR-ZJUUUORDSA-N 1 0 205.261 0.324 20 30 BCEDRO CC1(C)C[NH2+]C[C@H]1Nc1ncncc1C#N ZINC000721945864 712390995 /nfs/dbraw/zinc/39/09/95/712390995.db2.gz WUARLACAGCVJKU-SECBINFHSA-N 1 0 217.276 0.180 20 30 BCEDRO CC[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000772981824 712414662 /nfs/dbraw/zinc/41/46/62/712414662.db2.gz GKLKLXOZFGNTBX-QZOQKNACSA-N 1 0 237.303 0.901 20 30 BCEDRO C=CCCC[NH+]1CCC(C(=O)NCCO)CC1 ZINC000712609460 712437513 /nfs/dbraw/zinc/43/75/13/712437513.db2.gz OKKWQCKTUPROGN-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO Cc1cc(C#N)nc(NC[C@@H]2CC[N@H+]2C)n1 ZINC000712576596 712448085 /nfs/dbraw/zinc/44/80/85/712448085.db2.gz AJOUVEBJSGHTTF-JTQLQIEISA-N 1 0 217.276 0.773 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000713740518 712470563 /nfs/dbraw/zinc/47/05/63/712470563.db2.gz QBKOOLUOEOMVGN-VWYCJHECSA-N 1 0 212.293 0.760 20 30 BCEDRO C=CC[C@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000715044868 712504652 /nfs/dbraw/zinc/50/46/52/712504652.db2.gz BQRYNZDZKZHCMQ-SDDRHHMPSA-N 1 0 210.321 0.702 20 30 BCEDRO COCCN(CC#N)C(=O)C12CC[NH+](CC1)C2 ZINC000715845464 712534603 /nfs/dbraw/zinc/53/46/03/712534603.db2.gz ZFWPUPRZZWRLLY-UHFFFAOYSA-N 1 0 237.303 0.081 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(CO)o1 ZINC000716929055 712596463 /nfs/dbraw/zinc/59/64/63/712596463.db2.gz QFAWJECALWBQSI-SNVBAGLBSA-N 1 0 223.272 0.900 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cncn1C ZINC000716930077 712596551 /nfs/dbraw/zinc/59/65/51/712596551.db2.gz XKMGJNDYCBHUKL-SNVBAGLBSA-N 1 0 207.277 0.548 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cnn(C)c1 ZINC000716928389 712596558 /nfs/dbraw/zinc/59/65/58/712596558.db2.gz IHDBEPNLVDMJTC-LLVKDONJSA-N 1 0 207.277 0.548 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(CO)o1 ZINC000716929054 712596630 /nfs/dbraw/zinc/59/66/30/712596630.db2.gz QFAWJECALWBQSI-JTQLQIEISA-N 1 0 223.272 0.900 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000717698658 712665340 /nfs/dbraw/zinc/66/53/40/712665340.db2.gz JJHNDJFOKLZLIW-VIFPVBQESA-N 1 0 238.312 0.321 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cccnc1C ZINC000717708648 712664393 /nfs/dbraw/zinc/66/43/93/712664393.db2.gz FBJPGXCVNSPZQM-LBPRGKRZSA-N 1 0 204.273 0.864 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CC(F)(F)F ZINC000717748332 712669052 /nfs/dbraw/zinc/66/90/52/712669052.db2.gz ILRDAJLJHYPCHQ-HTQZYQBOSA-N 1 0 225.210 0.274 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)c1ccccc1 ZINC000717734476 712669288 /nfs/dbraw/zinc/66/92/88/712669288.db2.gz ZBTXUERSBWKQQE-OLZOCXBDSA-N 1 0 219.284 0.694 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]C1CC(OCC)C1 ZINC000717795659 712678176 /nfs/dbraw/zinc/67/81/76/712678176.db2.gz VJBWKXSIHAWKIO-UNXYVOJBSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]C1CCN(C)CC1 ZINC000717794628 712678360 /nfs/dbraw/zinc/67/83/60/712678360.db2.gz OTBFXVBTEBRBMF-LBPRGKRZSA-N 1 0 210.321 0.445 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H](CO)C(C)(C)C ZINC000380185836 712707081 /nfs/dbraw/zinc/70/70/81/712707081.db2.gz GWDAZLMYNHTLIY-NXEZZACHSA-N 1 0 214.309 0.912 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C(=O)CC#N ZINC000718887455 712787771 /nfs/dbraw/zinc/78/77/71/712787771.db2.gz JJZFABHSASZJQB-VHSXEESVSA-N 1 0 207.277 0.595 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(CSC)CC1 ZINC000719321026 712804074 /nfs/dbraw/zinc/80/40/74/712804074.db2.gz BZAJYRGCXYATQD-UHFFFAOYSA-N 1 0 240.372 0.811 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H](CCO)C1CC1 ZINC000380258996 712848746 /nfs/dbraw/zinc/84/87/46/712848746.db2.gz QZGJCNLPSAKWIM-MWLCHTKSSA-N 1 0 212.293 0.666 20 30 BCEDRO C#C[C@@H]([NH2+]CCOCCOC)[C@H]1CCCO1 ZINC000381350305 710625665 /nfs/dbraw/zinc/62/56/65/710625665.db2.gz ASZXQYYKNHIPMG-VXGBXAGGSA-N 1 0 227.304 0.420 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000381355087 710627173 /nfs/dbraw/zinc/62/71/73/710627173.db2.gz CFIRFOVZHTWTRP-QWRGUYRKSA-N 1 0 247.360 0.602 20 30 BCEDRO C#C[C@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1CCCO1 ZINC000381358501 710628579 /nfs/dbraw/zinc/62/85/79/710628579.db2.gz DYCBMDJROGQFQI-QWRGUYRKSA-N 1 0 245.344 0.192 20 30 BCEDRO CCC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000381497443 710646506 /nfs/dbraw/zinc/64/65/06/710646506.db2.gz BNDHMSROTSRACP-BDAKNGLRSA-N 1 0 207.277 0.404 20 30 BCEDRO CCNC(NCC1(S(C)(=O)=O)CC1)=[NH+]CC ZINC000393720988 710670493 /nfs/dbraw/zinc/67/04/93/710670493.db2.gz GTNLQABMIPTICR-UHFFFAOYSA-N 1 0 247.364 0.139 20 30 BCEDRO CC(C)(C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000393737165 710672380 /nfs/dbraw/zinc/67/23/80/710672380.db2.gz AMSQXZOXCMQJLM-DTWKUNHWSA-N 1 0 209.293 0.650 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001038777830 710706096 /nfs/dbraw/zinc/70/60/96/710706096.db2.gz CMBYQBDKPLFCQT-NSHDSACASA-N 1 0 248.330 0.893 20 30 BCEDRO C#CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001038801390 710706541 /nfs/dbraw/zinc/70/65/41/710706541.db2.gz YPFQPVQSBOZJFV-RWMBFGLXSA-N 1 0 232.327 0.856 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001038827643 710711284 /nfs/dbraw/zinc/71/12/84/710711284.db2.gz ZFORONHDVQQMQD-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038915689 710714594 /nfs/dbraw/zinc/71/45/94/710714594.db2.gz XWFMDBRFOZNTMP-GFCCVEGCSA-N 1 0 249.358 0.459 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039016738 710718171 /nfs/dbraw/zinc/71/81/71/710718171.db2.gz KNQJCGVHFXUUHO-VXGBXAGGSA-N 1 0 237.347 0.315 20 30 BCEDRO CCNS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000393790562 710719511 /nfs/dbraw/zinc/71/95/11/710719511.db2.gz DMZQXPUSNRMRAO-NXEZZACHSA-N 1 0 245.348 0.208 20 30 BCEDRO C#CC[N@H+]1CC[C@]2(CCN(C(=O)C3CC3)C2)C1 ZINC001040985677 710761657 /nfs/dbraw/zinc/76/16/57/710761657.db2.gz NPKRFGWXDROSCC-AWEZNQCLSA-N 1 0 232.327 0.954 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]2CCN(C(C)=O)C[C@@H]21 ZINC001041868708 710769805 /nfs/dbraw/zinc/76/98/05/710769805.db2.gz LQYUWWKZZGDYSJ-OLZOCXBDSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCN1CC[C@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001041877392 710772101 /nfs/dbraw/zinc/77/21/01/710772101.db2.gz CZQVIXCGCDXIFC-UWVGGRQHSA-N 1 0 242.269 0.808 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCS(C)(=O)=O ZINC000384183046 710808138 /nfs/dbraw/zinc/80/81/38/710808138.db2.gz QYLJOWPWGKCMBT-SECBINFHSA-N 1 0 203.307 0.423 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001044784941 710831481 /nfs/dbraw/zinc/83/14/81/710831481.db2.gz XCCSNIFMIBSJAT-NXEZZACHSA-N 1 0 247.302 0.021 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)COC)[C@H](C)C1 ZINC001044395536 710824259 /nfs/dbraw/zinc/82/42/59/710824259.db2.gz AURVGNCAYQBABT-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CC2)[C@@H](C)C1 ZINC001044401897 710824649 /nfs/dbraw/zinc/82/46/49/710824649.db2.gz QNPSLESTJKWGBZ-CMPLNLGQSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)c2ccncc2)C1 ZINC001046103129 710848349 /nfs/dbraw/zinc/84/83/49/710848349.db2.gz PLVQRKNHGJTTNI-AWEZNQCLSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CCC[N@H+]1CC[C@](C)(NC(=O)c2cocn2)C1 ZINC001046192611 710855226 /nfs/dbraw/zinc/85/52/26/710855226.db2.gz PQZFKJLAJMUXQU-ZDUSSCGKSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001046299896 710858406 /nfs/dbraw/zinc/85/84/06/710858406.db2.gz STIKHDYZCUGTBI-GXSJLCMTSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CCC[N@H+]1CC[C@](C)(NC(=O)c2cnco2)C1 ZINC001046519702 710860909 /nfs/dbraw/zinc/86/09/09/710860909.db2.gz JMNRTEQZQZUQRF-ZDUSSCGKSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001046540900 710861727 /nfs/dbraw/zinc/86/17/27/710861727.db2.gz IZZBWDOBYVQRAM-NQBHXWOUSA-N 1 0 220.316 0.856 20 30 BCEDRO CC#CC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000801155638 710866205 /nfs/dbraw/zinc/86/62/05/710866205.db2.gz PJHYOGLZLHABQX-NSHDSACASA-N 1 0 206.289 0.705 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@H]3C)C[C@H]2C1 ZINC001048656285 710884766 /nfs/dbraw/zinc/88/47/66/710884766.db2.gz CBBXAEGTTITMIU-NDBYEHHHSA-N 1 0 232.327 0.666 20 30 BCEDRO C=CC[N@H+]1C[C@H]2CN(C(=O)c3cc[nH]n3)C[C@H]2C1 ZINC001048693043 710885773 /nfs/dbraw/zinc/88/57/73/710885773.db2.gz NFDBKXNVSNCPQS-PHIMTYICSA-N 1 0 246.314 0.600 20 30 BCEDRO CCC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048724984 710887655 /nfs/dbraw/zinc/88/76/55/710887655.db2.gz MIIXBSUEQUCPLL-SDDRHHMPSA-N 1 0 235.331 0.946 20 30 BCEDRO C=CC[N@H+]1C[C@H]2CN(C(=O)c3cnco3)C[C@H]2C1 ZINC001048968468 710890218 /nfs/dbraw/zinc/89/02/18/710890218.db2.gz HHUUKHVYDKOGIY-PHIMTYICSA-N 1 0 247.298 0.864 20 30 BCEDRO C#CCCC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903103432 710891224 /nfs/dbraw/zinc/89/12/24/710891224.db2.gz HVFIUVCYBPAWQC-VXGBXAGGSA-N 1 0 209.289 0.937 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)COC)C[C@H]1C ZINC001054302325 710925901 /nfs/dbraw/zinc/92/59/01/710925901.db2.gz XFDRRMJQADZWTD-MNOVXSKESA-N 1 0 226.320 0.645 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)CC2CC2)C[C@H]1C ZINC001054324550 710927826 /nfs/dbraw/zinc/92/78/26/710927826.db2.gz OZSOJFGTSNZBIS-PWSUYJOCSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)F)C[C@@H]1C ZINC001054315270 710927866 /nfs/dbraw/zinc/92/78/66/710927866.db2.gz FDHFYVKFNVVBSQ-UWVGGRQHSA-N 1 0 226.295 0.804 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccncc2)C[C@H]1C ZINC001054330264 710929147 /nfs/dbraw/zinc/92/91/47/710929147.db2.gz GOUBPQOKAIOVNJ-DGCLKSJQSA-N 1 0 243.310 0.765 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1C ZINC001054374698 710931444 /nfs/dbraw/zinc/93/14/44/710931444.db2.gz SFRKPKZDOPEFMC-JQWIXIFHSA-N 1 0 246.314 0.103 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@@H]1C ZINC001054469072 710935726 /nfs/dbraw/zinc/93/57/26/710935726.db2.gz DEGKOLAGTWIFDK-VHSXEESVSA-N 1 0 233.271 0.358 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1C ZINC001054488118 710936547 /nfs/dbraw/zinc/93/65/47/710936547.db2.gz OZNWNUSFVOMQFP-SKDRFNHKSA-N 1 0 248.330 0.954 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ocnc2C)C[C@H]1C ZINC001054536364 710937353 /nfs/dbraw/zinc/93/73/53/710937353.db2.gz ZPRRHUQKIGPTSA-KOLCDFICSA-N 1 0 247.298 0.666 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C ZINC001054554139 710938345 /nfs/dbraw/zinc/93/83/45/710938345.db2.gz BBIJWXJWVCVTNS-MNOVXSKESA-N 1 0 248.330 0.656 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1C ZINC001054565318 710938585 /nfs/dbraw/zinc/93/85/85/710938585.db2.gz MLRYCHGDRREPBH-AAEUAGOBSA-N 1 0 245.326 0.708 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1C ZINC001054560846 710938601 /nfs/dbraw/zinc/93/86/01/710938601.db2.gz VQWHSTHZPZYQLS-QWRGUYRKSA-N 1 0 246.314 0.103 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C ZINC001054588823 710939076 /nfs/dbraw/zinc/93/90/76/710939076.db2.gz LJHFSBORTIKWTD-ZYHUDNBSSA-N 1 0 244.298 0.160 20 30 BCEDRO CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)C[C@@H]1C ZINC001054606612 710939228 /nfs/dbraw/zinc/93/92/28/710939228.db2.gz WNAHJMCSNQPCMX-JOYOIKCWSA-N 1 0 246.314 0.956 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2coc(C)n2)C[C@@H]1C ZINC001054588517 710939263 /nfs/dbraw/zinc/93/92/63/710939263.db2.gz QXBRHIPZOXOUFS-ONGXEEELSA-N 1 0 247.298 0.666 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C ZINC001054663566 710940290 /nfs/dbraw/zinc/94/02/90/710940290.db2.gz YGDLTCGYIYUOTJ-MNOVXSKESA-N 1 0 246.314 0.401 20 30 BCEDRO CC[NH2+]C[C@H]1CN(C(=O)C#CC2CC2)CCO1 ZINC001051608871 710957761 /nfs/dbraw/zinc/95/77/61/710957761.db2.gz LLDZQEPKSXCXRK-LBPRGKRZSA-N 1 0 236.315 0.237 20 30 BCEDRO C=CCN1CC[NH+]([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001051955709 710960171 /nfs/dbraw/zinc/96/01/71/710960171.db2.gz FSQVMLFDMKEVNT-CYBMUJFWSA-N 1 0 237.347 0.411 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)C(F)F)CC1 ZINC001052135053 710961981 /nfs/dbraw/zinc/96/19/81/710961981.db2.gz DLBWRBBXSHXKGA-SECBINFHSA-N 1 0 230.258 0.855 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC(C)=C(C)C1 ZINC000382492042 710971694 /nfs/dbraw/zinc/97/16/94/710971694.db2.gz FRAFLSYABDHBKJ-UHFFFAOYSA-N 1 0 206.289 0.778 20 30 BCEDRO C#CCNC(=O)C[N@H+](CC)CCC1CC1 ZINC000385162054 711006932 /nfs/dbraw/zinc/00/69/32/711006932.db2.gz BQWXCHKEZNLSDW-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO CCC(CC)(CO)CNC(NC)=[NH+]C ZINC000386272288 711026198 /nfs/dbraw/zinc/02/61/98/711026198.db2.gz MKZGITGMQJZQDH-UHFFFAOYSA-N 1 0 201.314 0.580 20 30 BCEDRO C=C[C@@H](C)NC(=S)NCCC[NH+](C)C ZINC000756794407 711067770 /nfs/dbraw/zinc/06/77/70/711067770.db2.gz CUVLPZVRGBWWQX-SECBINFHSA-N 1 0 215.366 0.977 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1C ZINC000389615784 711082534 /nfs/dbraw/zinc/08/25/34/711082534.db2.gz GLXCGAVTVZCNKV-QWRGUYRKSA-N 1 0 208.305 0.904 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)CC)C[C@@H]1n1ccnn1 ZINC001070120558 711113655 /nfs/dbraw/zinc/11/36/55/711113655.db2.gz WCQRCXVFOJOCBG-MNOVXSKESA-N 1 0 249.318 0.216 20 30 BCEDRO C#C[C@H]([NH2+]CCN1CCCC1)[C@H]1CCCO1 ZINC000390369987 711114359 /nfs/dbraw/zinc/11/43/59/711114359.db2.gz VKFGSWKHDCUCGI-QWHCGFSZSA-N 1 0 222.332 0.853 20 30 BCEDRO CC[N@@H+]1CCCN(CCO[C@@H](C)C#N)CC1 ZINC000390401676 711115391 /nfs/dbraw/zinc/11/53/91/711115391.db2.gz ANVAOVXNKDUSGN-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO CC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCC1 ZINC000390755250 711132697 /nfs/dbraw/zinc/13/26/97/711132697.db2.gz GXABJARWQQMHSB-BDAKNGLRSA-N 1 0 207.277 0.404 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ncccc1N ZINC000392756489 711151307 /nfs/dbraw/zinc/15/13/07/711151307.db2.gz CAPRXHCOLBAYSO-UHFFFAOYSA-N 1 0 246.314 0.349 20 30 BCEDRO C#CCCC[NH2+][C@](C)(COC)CC(=O)OC ZINC000393780338 711173606 /nfs/dbraw/zinc/17/36/06/711173606.db2.gz JITSYZOIHFTIAO-LBPRGKRZSA-N 1 0 227.304 0.958 20 30 BCEDRO C[C@H](C#N)OCC[NH2+]C1(C(N)=O)CCCC1 ZINC000393806484 711175834 /nfs/dbraw/zinc/17/58/34/711175834.db2.gz PJBYHCCRMDHLLY-SECBINFHSA-N 1 0 225.292 0.303 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1cocn1 ZINC000395105730 711202152 /nfs/dbraw/zinc/20/21/52/711202152.db2.gz PEVAWBNCRNZUDL-UHFFFAOYSA-N 1 0 207.277 0.719 20 30 BCEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CCOCCC#N ZINC000395302452 711207483 /nfs/dbraw/zinc/20/74/83/711207483.db2.gz BCLCAGQNEPIQLM-RYUDHWBXSA-N 1 0 225.336 0.941 20 30 BCEDRO CCNC(NC[C@](C)(O)CCOC)=[NH+]CC ZINC000395575105 711213475 /nfs/dbraw/zinc/21/34/75/711213475.db2.gz PMHXBVHSMHPOQC-LLVKDONJSA-N 1 0 231.340 0.349 20 30 BCEDRO CCNC(NC[C@@H](O)CC(C)C)=[NH+]CC ZINC000395833322 711216901 /nfs/dbraw/zinc/21/69/01/711216901.db2.gz ZKNWVDGMSZJVDP-JTQLQIEISA-N 1 0 215.341 0.968 20 30 BCEDRO CCNC(NCCC1(CO)CC1)=[NH+]CC ZINC000395862185 711217765 /nfs/dbraw/zinc/21/77/65/711217765.db2.gz AWTOHIUVTVVRCF-UHFFFAOYSA-N 1 0 213.325 0.724 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1COC ZINC000396058108 711219597 /nfs/dbraw/zinc/21/95/97/711219597.db2.gz JAPSBPXHZLSSML-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C=CCOCC[N@@H+]1CCC2(C1)OCCO2 ZINC000396618451 711361765 /nfs/dbraw/zinc/36/17/65/711361765.db2.gz CPXLNOPHXZTRME-UHFFFAOYSA-N 1 0 213.277 0.638 20 30 BCEDRO C[C@@H]1CC[C@H](O)C[N@@H+]1CCOCCC#N ZINC000399324402 711427158 /nfs/dbraw/zinc/42/71/58/711427158.db2.gz KIVLWNGTDOYZNP-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO C#CCC[N@@H+]1CCCO[C@H](CNC(C)=O)C1 ZINC001073503544 711440868 /nfs/dbraw/zinc/44/08/68/711440868.db2.gz JAIFKTHGKGQZKJ-GFCCVEGCSA-N 1 0 224.304 0.237 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001014832816 710612192 /nfs/dbraw/zinc/61/21/92/710612192.db2.gz QCEXHOJTBIXGPZ-JTQLQIEISA-N 1 0 248.286 0.172 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@@H]1C ZINC000381257146 710612530 /nfs/dbraw/zinc/61/25/30/710612530.db2.gz QYKZXBXLWHEAOU-CMPLNLGQSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCN1CC[C@H]1CNC(=O)c1ccn(CC)n1 ZINC001038783380 710705248 /nfs/dbraw/zinc/70/52/48/710705248.db2.gz WYPDUVQFRRMNHG-NSHDSACASA-N 1 0 246.314 0.340 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@H](C)C1 ZINC001044722656 710829556 /nfs/dbraw/zinc/82/95/56/710829556.db2.gz OAXOYWGMWDMXRB-ZJUUUORDSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn[nH]2)C1 ZINC001046162502 710851593 /nfs/dbraw/zinc/85/15/93/710851593.db2.gz JVEPBNKRCQWIIS-GFCCVEGCSA-N 1 0 232.287 0.237 20 30 BCEDRO C=CCC[N@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052679381 710918400 /nfs/dbraw/zinc/91/84/00/710918400.db2.gz NKFNVOPXIVZXFO-JTQLQIEISA-N 1 0 239.319 0.019 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C ZINC001054420492 710933955 /nfs/dbraw/zinc/93/39/55/710933955.db2.gz WIQZZMNKAUZZCS-MWLCHTKSSA-N 1 0 234.303 0.646 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccsn2)C[C@@H]1C ZINC001054787569 710941274 /nfs/dbraw/zinc/94/12/74/710941274.db2.gz VOLQPPKBTPQWSQ-ONGXEEELSA-N 1 0 249.339 0.826 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001054843722 710941400 /nfs/dbraw/zinc/94/14/00/710941400.db2.gz BUEOAMZNCPFMCT-GXSJLCMTSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1C ZINC001054669326 710941485 /nfs/dbraw/zinc/94/14/85/710941485.db2.gz CCRCYNGKXOGBMV-CMPLNLGQSA-N 1 0 231.299 0.698 20 30 BCEDRO C#CCC[NH+]1CCC2(CN(C(C)=O)C2)CC1 ZINC001050397109 710951261 /nfs/dbraw/zinc/95/12/61/710951261.db2.gz QCJURGHZAKNVJV-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO CC#CC[N@@H+]1CCC2(CN(C(=O)C3CC3)C2)C1 ZINC001072378258 711362786 /nfs/dbraw/zinc/36/27/86/711362786.db2.gz IEMNIEPTYQZSMZ-UHFFFAOYSA-N 1 0 232.327 0.954 20 30 BCEDRO C#CCC[N@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001072553374 711381184 /nfs/dbraw/zinc/38/11/84/711381184.db2.gz YNUOMDTZYZJUIU-GFCCVEGCSA-N 1 0 245.326 0.704 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000399994314 711437355 /nfs/dbraw/zinc/43/73/55/711437355.db2.gz IRVUGBFZGQXIPE-NSHDSACASA-N 1 0 206.289 0.468 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)SC)[C@H]1C ZINC001074535095 711443114 /nfs/dbraw/zinc/44/31/14/711443114.db2.gz MDQMYEKMLPLRBB-AXFHLTTASA-N 1 0 240.372 0.950 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](F)CC)[C@H]1C ZINC001074801245 711444303 /nfs/dbraw/zinc/44/43/03/711444303.db2.gz PLIPVCMQUMTJNR-AXFHLTTASA-N 1 0 226.295 0.947 20 30 BCEDRO C#CCCN1CC[C@H]1CNC(=O)c1coc(C)n1 ZINC001038198389 711488156 /nfs/dbraw/zinc/48/81/56/711488156.db2.gz OMALSDOIQIRBFA-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO N#CC1(C(=O)NC23CC[NH+](CC2)C3)CCC1 ZINC000715508414 711549868 /nfs/dbraw/zinc/54/98/68/711549868.db2.gz NSFYVLDQTGNJQI-UHFFFAOYSA-N 1 0 219.288 0.645 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001038041391 711565841 /nfs/dbraw/zinc/56/58/41/711565841.db2.gz RZLFHFUPAYFZOW-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCN(C)CCC[NH2+]Cc1cnn(C)c1 ZINC000382387058 711584079 /nfs/dbraw/zinc/58/40/79/711584079.db2.gz OPZUCMHQHOAIMG-UHFFFAOYSA-N 1 0 220.320 0.465 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001022732385 711586885 /nfs/dbraw/zinc/58/68/85/711586885.db2.gz PETDLULPGVPLPR-TXEJJXNPSA-N 1 0 246.314 0.062 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000934469580 711587668 /nfs/dbraw/zinc/58/76/68/711587668.db2.gz FOCAVPVQBYVKDO-GFCCVEGCSA-N 1 0 238.331 0.886 20 30 BCEDRO C=CC[C@H]1CCN1CCS(C)(=O)=O ZINC000934469435 711587735 /nfs/dbraw/zinc/58/77/35/711587735.db2.gz BZFUYFGEJPUMJZ-VIFPVBQESA-N 1 0 203.307 0.681 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000724622624 711600503 /nfs/dbraw/zinc/60/05/03/711600503.db2.gz JFCXJRISDCJCKH-CHWFTXMASA-N 1 0 210.277 0.682 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccnc(C)n2)C1 ZINC001023102888 711616321 /nfs/dbraw/zinc/61/63/21/711616321.db2.gz GEFHKUOHCHLEQH-PHIMTYICSA-N 1 0 246.314 0.821 20 30 BCEDRO C#CC1(O)CC[NH+](CCO[C@@H]2CCOC2)CC1 ZINC000724997885 711642161 /nfs/dbraw/zinc/64/21/61/711642161.db2.gz KUULJZABFATOJZ-GFCCVEGCSA-N 1 0 239.315 0.252 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC000395134784 711692597 /nfs/dbraw/zinc/69/25/97/711692597.db2.gz HVKTXBXKLCFHJH-LDYMZIIASA-N 1 0 225.292 0.222 20 30 BCEDRO C[C@H]1[C@H]([NH+](C)C)CCN1CCOCCC#N ZINC000395302449 711693887 /nfs/dbraw/zinc/69/38/87/711693887.db2.gz BCLCAGQNEPIQLM-NWDGAFQWSA-N 1 0 225.336 0.941 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccn[nH]3)[C@@H]2C1 ZINC000977837053 711731095 /nfs/dbraw/zinc/73/10/95/711731095.db2.gz LBHPKLSEVWLDHC-RTCCRHLQSA-N 1 0 246.314 0.503 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001027824500 711736465 /nfs/dbraw/zinc/73/64/65/711736465.db2.gz JGCPGUWZLNMBLE-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001075615991 711760367 /nfs/dbraw/zinc/76/03/67/711760367.db2.gz GBAYDVBOEXJJBA-OUAUKWLOSA-N 1 0 221.304 0.699 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001075616491 711760371 /nfs/dbraw/zinc/76/03/71/711760371.db2.gz UUBVWGYMNBLHFF-RWMBFGLXSA-N 1 0 245.326 0.702 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccnnc2)C1 ZINC001028826708 711767811 /nfs/dbraw/zinc/76/78/11/711767811.db2.gz JARDNVNYLRKJCE-LLVKDONJSA-N 1 0 246.314 0.714 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CCC[C@@H](C#N)C2)CC1 ZINC000928216678 711767963 /nfs/dbraw/zinc/76/79/63/711767963.db2.gz JODJFEYFCLSOFD-JTQLQIEISA-N 1 0 221.304 0.843 20 30 BCEDRO N#CCN1CCC([NH2+][C@@H]2CN3C[C@@H]2CCC3)CC1 ZINC000924997814 711768073 /nfs/dbraw/zinc/76/80/73/711768073.db2.gz AJIADOBGRSGASS-GXTWGEPZSA-N 1 0 248.374 0.658 20 30 BCEDRO CN1CC[C@@H]1CNC(=O)C#Cc1ccccc1 ZINC000928563887 711778346 /nfs/dbraw/zinc/77/83/46/711778346.db2.gz OWIAXUYBXQFBSX-CYBMUJFWSA-N 1 0 228.295 0.858 20 30 BCEDRO C=C(C)CN(C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897330661 711786238 /nfs/dbraw/zinc/78/62/38/711786238.db2.gz BGNUSEMELVFXPB-LBPRGKRZSA-N 1 0 238.331 0.742 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cncn2C)[C@@H]1C ZINC000986494893 711788418 /nfs/dbraw/zinc/78/84/18/711788418.db2.gz INRQHDCXUBRHEP-GHMZBOCLSA-N 1 0 246.314 0.246 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc[nH]n2)C1 ZINC000988163422 711793040 /nfs/dbraw/zinc/79/30/40/711793040.db2.gz FINFBEPJWPGVGN-UWVGGRQHSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccnn2C)C1 ZINC000988338354 711793635 /nfs/dbraw/zinc/79/36/35/711793635.db2.gz TVHMQQAPQKAPCY-MNOVXSKESA-N 1 0 246.314 0.246 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001038059404 711794955 /nfs/dbraw/zinc/79/49/55/711794955.db2.gz ZXLRYCRAFYOYHK-LLVKDONJSA-N 1 0 231.299 0.842 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnnn2C)C1 ZINC000988768249 711796741 /nfs/dbraw/zinc/79/67/41/711796741.db2.gz XBCQMZPRAMHGKA-UWVGGRQHSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000989313287 711797944 /nfs/dbraw/zinc/79/79/44/711797944.db2.gz JIVRNAJVEXVEAJ-OBPIAQAESA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000989313278 711798021 /nfs/dbraw/zinc/79/80/21/711798021.db2.gz JIVRNAJVEXVEAJ-FHUSYTEZSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cscn2)CC1 ZINC000990214549 711799281 /nfs/dbraw/zinc/79/92/81/711799281.db2.gz TXTZFVRZVWSDRN-UHFFFAOYSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)C1=COCCC1 ZINC001038116921 711800679 /nfs/dbraw/zinc/80/06/79/711800679.db2.gz SQKLEOCCPBJZMM-CYBMUJFWSA-N 1 0 248.326 0.895 20 30 BCEDRO CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038119350 711801475 /nfs/dbraw/zinc/80/14/75/711801475.db2.gz VVDGMGNQHBTILJ-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)c2ccco2)C1 ZINC001076688005 711808070 /nfs/dbraw/zinc/80/80/70/711808070.db2.gz WBSMLDDQVFSWCF-NXEZZACHSA-N 1 0 236.271 0.241 20 30 BCEDRO C#CCCN1C[C@@H](O)[C@H](NC(=O)c2ccco2)C1 ZINC001076688914 711808213 /nfs/dbraw/zinc/80/82/13/711808213.db2.gz LKDSOHSYCBEBLM-GHMZBOCLSA-N 1 0 248.282 0.078 20 30 BCEDRO C#CCCC[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000161118845 711810656 /nfs/dbraw/zinc/81/06/56/711810656.db2.gz KIBSYSFZHXUUNV-MNOVXSKESA-N 1 0 208.305 0.986 20 30 BCEDRO N#CCCC[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905202784 711812606 /nfs/dbraw/zinc/81/26/06/711812606.db2.gz IMTSDOIYELTFBX-LLVKDONJSA-N 1 0 226.320 0.936 20 30 BCEDRO C[C@@H](C(=O)NCC#CC[NH+](C)C)[C@H]1CCCO1 ZINC000913524423 711823345 /nfs/dbraw/zinc/82/33/45/711823345.db2.gz MHVFSAWTWTZDIO-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO C[C@H](C(=O)NCC#CC[NH+](C)C)c1cnccn1 ZINC000913524626 711823403 /nfs/dbraw/zinc/82/34/03/711823403.db2.gz VUFSAXQZHUIXCB-NSHDSACASA-N 1 0 246.314 0.261 20 30 BCEDRO C[C@H](C(=O)NCC#CC[NH+](C)C)[C@@H]1CCCO1 ZINC000913524422 711823586 /nfs/dbraw/zinc/82/35/86/711823586.db2.gz MHVFSAWTWTZDIO-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO CCn1nc(C)cc1C(=O)NCC#CC[NH+](C)C ZINC000913518651 711823838 /nfs/dbraw/zinc/82/38/38/711823838.db2.gz WJEJKXVZZLMOJA-UHFFFAOYSA-N 1 0 248.330 0.506 20 30 BCEDRO C[C@@H]1C[C@@H](C(=O)NCC#CC[NH+](C)C)CO1 ZINC000913520908 711823965 /nfs/dbraw/zinc/82/39/65/711823965.db2.gz DBSSWLPIBHGTBL-GHMZBOCLSA-N 1 0 224.304 0.093 20 30 BCEDRO Cc1ccn(C)c1C(=O)NCC#CC[NH+](C)C ZINC000913521004 711824046 /nfs/dbraw/zinc/82/40/46/711824046.db2.gz HVWYTYKBFSQLLL-UHFFFAOYSA-N 1 0 233.315 0.628 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Cc1cncc(O)c1 ZINC000913522318 711824138 /nfs/dbraw/zinc/82/41/38/711824138.db2.gz DKCUCFDWKLQHMI-UHFFFAOYSA-N 1 0 247.298 0.011 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cccn1C ZINC001038056864 711824778 /nfs/dbraw/zinc/82/47/78/711824778.db2.gz DIXKNBIQFLDMEN-LBPRGKRZSA-N 1 0 245.326 0.853 20 30 BCEDRO CC(C)[C@H](O)C[NH+]1CCN(CCC#N)CC1 ZINC000590115357 711826413 /nfs/dbraw/zinc/82/64/13/711826413.db2.gz OEAQUZKEGBCYOF-GFCCVEGCSA-N 1 0 225.336 0.535 20 30 BCEDRO N#Cc1ccnc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)c1 ZINC000597708758 711834812 /nfs/dbraw/zinc/83/48/12/711834812.db2.gz QVLDFVVJSDGABB-NSHDSACASA-N 1 0 242.282 0.483 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC(C)(C)C ZINC000170911016 711837873 /nfs/dbraw/zinc/83/78/73/711837873.db2.gz VPYUJAFMAGCJDQ-QMMMGPOBSA-N 1 0 201.314 0.972 20 30 BCEDRO COC[C@H](C)CNC(=[NH2+])N[C@@H](C)COC ZINC000170911017 711837934 /nfs/dbraw/zinc/83/79/34/711837934.db2.gz GIZDHSHFZBHYKE-BDAKNGLRSA-N 1 0 217.313 0.208 20 30 BCEDRO C#CCOCCC(=O)NCC[N@@H+](C)C(C)C ZINC000151710133 711849668 /nfs/dbraw/zinc/84/96/68/711849668.db2.gz KKXVYJGDTMQTKS-UHFFFAOYSA-N 1 0 226.320 0.483 20 30 BCEDRO CC(C)(CO)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000916572352 711873022 /nfs/dbraw/zinc/87/30/22/711873022.db2.gz CKMJZOOSXUNUHT-UHFFFAOYSA-N 1 0 247.298 0.857 20 30 BCEDRO C#CCCCCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000921441847 711882778 /nfs/dbraw/zinc/88/27/78/711882778.db2.gz XXOPABHCZYVFAJ-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCCCCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000921441848 711882881 /nfs/dbraw/zinc/88/28/81/711882881.db2.gz XXOPABHCZYVFAJ-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000070831000 711897134 /nfs/dbraw/zinc/89/71/34/711897134.db2.gz GWLAZOZACWVZAI-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@H]1CCC[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000070831004 711897397 /nfs/dbraw/zinc/89/73/97/711897397.db2.gz GWLAZOZACWVZAI-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO C[NH+]=C(NCC(=O)Nc1cccnc1)NC(C)C ZINC000072625520 711904373 /nfs/dbraw/zinc/90/43/73/711904373.db2.gz JMCDFTWITLGCQP-UHFFFAOYSA-N 1 0 249.318 0.594 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CC(O)(CC)CC ZINC000706413043 711913553 /nfs/dbraw/zinc/91/35/53/711913553.db2.gz HGTOBDZJFNCVJF-NSHDSACASA-N 1 0 240.347 0.607 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1C[C@@H]1C ZINC001032570206 711926153 /nfs/dbraw/zinc/92/61/53/711926153.db2.gz PUKWTECOQWEUEC-CYDGBPFRSA-N 1 0 232.327 0.951 20 30 BCEDRO CC[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078357896 711941454 /nfs/dbraw/zinc/94/14/54/711941454.db2.gz DKSMOSIUHYHMNT-MNOVXSKESA-N 1 0 239.319 0.373 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](NC(C)=O)C12CCC2 ZINC001078514567 711942923 /nfs/dbraw/zinc/94/29/23/711942923.db2.gz SBTRKPVPFWJUTA-MNOVXSKESA-N 1 0 206.289 0.657 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cc[nH]n2)C1 ZINC001032932570 711969311 /nfs/dbraw/zinc/96/93/11/711969311.db2.gz SPHAWWAGSZBGPQ-NSHDSACASA-N 1 0 246.314 0.579 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001033355710 711987387 /nfs/dbraw/zinc/98/73/87/711987387.db2.gz DZVBZQCNGMTSQS-LBPRGKRZSA-N 1 0 249.314 0.936 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000700419177 711993029 /nfs/dbraw/zinc/99/30/29/711993029.db2.gz HWNJSPNEDOBFOB-TUAOUCFPSA-N 1 0 226.320 0.865 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033504355 711996196 /nfs/dbraw/zinc/99/61/96/711996196.db2.gz GTIXVSFHFSQVEZ-SNVBAGLBSA-N 1 0 249.318 0.147 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001033545196 712003582 /nfs/dbraw/zinc/00/35/82/712003582.db2.gz XLBUADCYPXWLCP-LLVKDONJSA-N 1 0 248.330 0.671 20 30 BCEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)NCCC#N ZINC000701033179 712012962 /nfs/dbraw/zinc/01/29/62/712012962.db2.gz ADBLVBUXQWSBKH-UXCLJVHYSA-N 1 0 239.319 0.418 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702295165 712043444 /nfs/dbraw/zinc/04/34/44/712043444.db2.gz GEVFPVBDBWQILT-WDEREUQCSA-N 1 0 221.304 0.843 20 30 BCEDRO CC[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702478348 712054426 /nfs/dbraw/zinc/05/44/26/712054426.db2.gz LHJZQDDBKCXQSF-NTZNESFSSA-N 1 0 235.331 0.946 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)CC1(C)COC1 ZINC000702968084 712062821 /nfs/dbraw/zinc/06/28/21/712062821.db2.gz CWOUFRPQZUXFGP-SNVBAGLBSA-N 1 0 212.293 0.883 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(c1nccnc1C#N)C2 ZINC000703538442 712078105 /nfs/dbraw/zinc/07/81/05/712078105.db2.gz JYWBTAPFZPOYEX-JOYOIKCWSA-N 1 0 229.287 0.394 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(c1ncccc1C#N)C2 ZINC000703618163 712081464 /nfs/dbraw/zinc/08/14/64/712081464.db2.gz BZLMSODBDKDQSZ-WCQYABFASA-N 1 0 228.299 0.999 20 30 BCEDRO C=CC[NH+]1CCC(N(C)C(=O)c2cn[nH]n2)CC1 ZINC001005651853 712081772 /nfs/dbraw/zinc/08/17/72/712081772.db2.gz JAJRXZNNHYQBEC-UHFFFAOYSA-N 1 0 249.318 0.527 20 30 BCEDRO N#Cc1ccc(CC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000704664575 712112466 /nfs/dbraw/zinc/11/24/66/712112466.db2.gz HORSQEPULCUYMK-LBPRGKRZSA-N 1 0 229.283 0.579 20 30 BCEDRO N#Cc1ccc(CC(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000704665482 712114170 /nfs/dbraw/zinc/11/41/70/712114170.db2.gz NHIYWBYWAOGPSD-ZDUSSCGKSA-N 1 0 243.310 0.908 20 30 BCEDRO C#CC[NH+]1CC2(C1)CCN(C(=O)C1CC1)CC2 ZINC001035630123 712138528 /nfs/dbraw/zinc/13/85/28/712138528.db2.gz KSCRKSHVSCLZDR-UHFFFAOYSA-N 1 0 232.327 0.954 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CC(O)(CC)CC ZINC000706413042 712145960 /nfs/dbraw/zinc/14/59/60/712145960.db2.gz HGTOBDZJFNCVJF-LLVKDONJSA-N 1 0 240.347 0.607 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CSC)C[C@H]1C ZINC001035904565 712148555 /nfs/dbraw/zinc/14/85/55/712148555.db2.gz BPYMZNJEMQUQCI-MNOVXSKESA-N 1 0 240.372 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccon2)C[C@@H]1C ZINC001035930707 712150452 /nfs/dbraw/zinc/15/04/52/712150452.db2.gz VQVPEHKZCLFOLV-QWRGUYRKSA-N 1 0 247.298 0.748 20 30 BCEDRO C=CC1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000706619303 712151020 /nfs/dbraw/zinc/15/10/20/712151020.db2.gz SLLKDJQAKDQAAR-NSHDSACASA-N 1 0 225.336 0.300 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cocn2)C[C@@H]1C ZINC001035958276 712151994 /nfs/dbraw/zinc/15/19/94/712151994.db2.gz ASIIVQYOTYIJEP-QWRGUYRKSA-N 1 0 247.298 0.748 20 30 BCEDRO C[NH+]1C[C@]2(C)CN(C(=O)CC#N)C[C@@]2(C)C1 ZINC000706957015 712163642 /nfs/dbraw/zinc/16/36/42/712163642.db2.gz BLKXYMWGCIIWSR-VXGBXAGGSA-N 1 0 221.304 0.700 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H](COC)OC)CC1 ZINC000708088655 712181155 /nfs/dbraw/zinc/18/11/55/712181155.db2.gz OFHLQEFKBPZBEY-LLVKDONJSA-N 1 0 227.304 0.108 20 30 BCEDRO C#CC1(O)CC[NH+](CCC(=O)OC)CC1 ZINC000708142786 712183171 /nfs/dbraw/zinc/18/31/71/712183171.db2.gz OBRNVTJWURXVMT-UHFFFAOYSA-N 1 0 211.261 0.010 20 30 BCEDRO CCOC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000709426400 712221862 /nfs/dbraw/zinc/22/18/62/712221862.db2.gz GJSAALSHFGLRHW-IUCAKERBSA-N 1 0 241.291 0.075 20 30 BCEDRO C#CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000710309233 712251452 /nfs/dbraw/zinc/25/14/52/712251452.db2.gz YCMHYRINQVZKEQ-LLVKDONJSA-N 1 0 206.289 0.706 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(CC)C1 ZINC000710625715 712263866 /nfs/dbraw/zinc/26/38/66/712263866.db2.gz CNMCEULRNVJRKP-WCQYABFASA-N 1 0 238.331 0.361 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCC1(OC)OC ZINC000710954736 712267896 /nfs/dbraw/zinc/26/78/96/712267896.db2.gz BIQGKOVATWUARV-SNVBAGLBSA-N 1 0 215.293 0.930 20 30 BCEDRO C#CCCS(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000711064527 712277959 /nfs/dbraw/zinc/27/79/59/712277959.db2.gz BEDSYKXRGMSKHZ-LLVKDONJSA-N 1 0 244.360 0.366 20 30 BCEDRO C#CCCS(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000711108857 712281409 /nfs/dbraw/zinc/28/14/09/712281409.db2.gz YZRKOZFXUSEEES-JTQLQIEISA-N 1 0 232.349 0.127 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000711097191 712280306 /nfs/dbraw/zinc/28/03/06/712280306.db2.gz MFBRRTVBRTYXGI-WDEREUQCSA-N 1 0 244.360 0.576 20 30 BCEDRO C#CCCS(=O)(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000711174530 712288026 /nfs/dbraw/zinc/28/80/26/712288026.db2.gz LYFYEYKBVUNTAY-NSHDSACASA-N 1 0 246.376 0.659 20 30 BCEDRO C#CCCS(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000711174548 712288038 /nfs/dbraw/zinc/28/80/38/712288038.db2.gz MCHDJLHHGXNQGT-JTQLQIEISA-N 1 0 232.349 0.269 20 30 BCEDRO CNC(NC[C@H]1CCC(C)(C)CO1)=[NH+]C ZINC000711343136 712295061 /nfs/dbraw/zinc/29/50/61/712295061.db2.gz ODYLGCFGLPTHJT-SECBINFHSA-N 1 0 213.325 0.986 20 30 BCEDRO C#CCC[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000382480758 712343854 /nfs/dbraw/zinc/34/38/54/712343854.db2.gz JBSFTVPSSVICDG-ZDUSSCGKSA-N 1 0 222.332 0.806 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001079446760 712349165 /nfs/dbraw/zinc/34/91/65/712349165.db2.gz OYRZGQJXYGLKCU-MWLCHTKSSA-N 1 0 234.303 0.646 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(C)c2)C1 ZINC001079565956 712350262 /nfs/dbraw/zinc/35/02/62/712350262.db2.gz BCKHOICUFLUMJV-DGCLKSJQSA-N 1 0 245.326 0.708 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001080614628 712354335 /nfs/dbraw/zinc/35/43/35/712354335.db2.gz ZCGNTOCRHCENNO-MWLCHTKSSA-N 1 0 249.318 0.051 20 30 BCEDRO C#CCC[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000378732009 712359678 /nfs/dbraw/zinc/35/96/78/712359678.db2.gz LIGAILJPUPETGE-QWHCGFSZSA-N 1 0 223.316 0.919 20 30 BCEDRO CC[C@H](CO)[N@H+](C)CCO[C@H](C)C#N ZINC000379068694 712369222 /nfs/dbraw/zinc/36/92/22/712369222.db2.gz YBHQCVIDDUQBGO-NXEZZACHSA-N 1 0 200.282 0.618 20 30 BCEDRO CO[C@@H](C)C[N@H+](C)CCO[C@H](C)C#N ZINC000379508467 712386518 /nfs/dbraw/zinc/38/65/18/712386518.db2.gz ORXJOSULDCLVMH-ZJUUUORDSA-N 1 0 200.282 0.882 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@H](CC)CO ZINC000381388227 712395856 /nfs/dbraw/zinc/39/58/56/712395856.db2.gz NHKPUNJGSCDSNQ-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C[C@@H](C#N)OCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000379782366 712399034 /nfs/dbraw/zinc/39/90/34/712399034.db2.gz CVTMZPQYLGBXCM-GARJFASQSA-N 1 0 210.277 0.778 20 30 BCEDRO C[C@H](C#N)OCC[NH2+]C(C)(C)CC(N)=O ZINC000379791915 712399345 /nfs/dbraw/zinc/39/93/45/712399345.db2.gz HIYZOVBIXNEQEC-MRVPVSSYSA-N 1 0 213.281 0.159 20 30 BCEDRO C#CCNC(=S)NCC[N@H+]1CCC[C@H]1C ZINC000758260241 712408281 /nfs/dbraw/zinc/40/82/81/712408281.db2.gz VYSASTPLWIXRRO-SNVBAGLBSA-N 1 0 225.361 0.568 20 30 BCEDRO C#CCNC(=S)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000758256779 712408344 /nfs/dbraw/zinc/40/83/44/712408344.db2.gz KQCCZHAJOHZKJX-MNOVXSKESA-N 1 0 237.372 0.663 20 30 BCEDRO Cc1nc(C#N)cc(NC[C@@H]2CC[N@H+]2C)n1 ZINC000712579255 712432719 /nfs/dbraw/zinc/43/27/19/712432719.db2.gz DDPKGRKILDHRNX-JTQLQIEISA-N 1 0 217.276 0.773 20 30 BCEDRO C#C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000715768025 712532392 /nfs/dbraw/zinc/53/23/92/712532392.db2.gz HQGMNNSOTDUMNO-GFCCVEGCSA-N 1 0 232.327 0.954 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000715840975 712532915 /nfs/dbraw/zinc/53/29/15/712532915.db2.gz FDNBHLSDZUASGN-GFCCVEGCSA-N 1 0 233.315 0.844 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)C(F)(F)F ZINC000716340610 712555545 /nfs/dbraw/zinc/55/55/45/712555545.db2.gz NXOWTOVLEISYFM-SFYZADRCSA-N 1 0 225.210 0.538 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000716356758 712556385 /nfs/dbraw/zinc/55/63/85/712556385.db2.gz RAZHNMXRSQVZPR-BDAKNGLRSA-N 1 0 239.237 0.928 20 30 BCEDRO C=C(Cl)Cn1cc(C[C@@H]([NH3+])COC)nn1 ZINC000716373639 712557290 /nfs/dbraw/zinc/55/72/90/712557290.db2.gz DVENKUMDMZGIPO-MRVPVSSYSA-N 1 0 230.699 0.547 20 30 BCEDRO C#CC[C@H](COC)NC[C@H](O)C[NH+]1CCCC1 ZINC000716826613 712576829 /nfs/dbraw/zinc/57/68/29/712576829.db2.gz AJIVLBKHKWSJKI-OLZOCXBDSA-N 1 0 240.347 0.071 20 30 BCEDRO C#CC[C@H](COC)NCc1ccn(C)n1 ZINC000716821806 712576938 /nfs/dbraw/zinc/57/69/38/712576938.db2.gz PNIIYXVCSOSLTO-LLVKDONJSA-N 1 0 207.277 0.548 20 30 BCEDRO C#CC1CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000830342837 712594972 /nfs/dbraw/zinc/59/49/72/712594972.db2.gz CXLVZSWXWLKETI-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000717854982 712600873 /nfs/dbraw/zinc/60/08/73/712600873.db2.gz YPOLGWIPOHPKSQ-IUCAKERBSA-N 1 0 239.237 0.664 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000123001482 712623696 /nfs/dbraw/zinc/62/36/96/712623696.db2.gz UZNXCPBZGLCYDU-SNVBAGLBSA-N 1 0 232.283 0.662 20 30 BCEDRO C=C(Cl)CN1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000379924129 712627790 /nfs/dbraw/zinc/62/77/90/712627790.db2.gz SVGHSFGFVWHKHJ-NSHDSACASA-N 1 0 229.755 0.718 20 30 BCEDRO C#CC1(F)CN(C(=O)C[NH+]2CCC(C)CC2)C1 ZINC000881941342 712634909 /nfs/dbraw/zinc/63/49/09/712634909.db2.gz ANRMLQFOCHRYCT-UHFFFAOYSA-N 1 0 238.306 0.902 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](O)[C@H](C)O ZINC000717281088 712644122 /nfs/dbraw/zinc/64/41/22/712644122.db2.gz RZLMHOHINVFRMH-WCQYABFASA-N 1 0 249.310 0.530 20 30 BCEDRO C[C@H](O)[C@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000717281676 712644617 /nfs/dbraw/zinc/64/46/17/712644617.db2.gz SWFNYDNAWYOILO-VHSXEESVSA-N 1 0 214.309 0.648 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](Nc2cc(=O)n(C)cn2)C1 ZINC000884611647 712648101 /nfs/dbraw/zinc/64/81/01/712648101.db2.gz QQRDADASUYVLDN-NSHDSACASA-N 1 0 246.314 0.290 20 30 BCEDRO C=CCC1(O)CC[NH+](CC2(CO)COC2)CC1 ZINC000717408578 712655930 /nfs/dbraw/zinc/65/59/30/712655930.db2.gz YRRKILGXUFYRQM-UHFFFAOYSA-N 1 0 241.331 0.398 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000717436964 712658033 /nfs/dbraw/zinc/65/80/33/712658033.db2.gz BOWNHIFAKNAXAV-GFCCVEGCSA-N 1 0 241.237 0.584 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000717530702 712660528 /nfs/dbraw/zinc/66/05/28/712660528.db2.gz ASQWWKSOGOXELM-GFCCVEGCSA-N 1 0 223.247 0.444 20 30 BCEDRO C[NH+](C)CC#CCNc1ncnc2[nH]ccc21 ZINC000717595314 712661148 /nfs/dbraw/zinc/66/11/48/712661148.db2.gz OIONINOGFOIWHQ-UHFFFAOYSA-N 1 0 229.287 0.886 20 30 BCEDRO C[NH+](C)CC#CCNc1ccc([N+](=O)[O-])cn1 ZINC000717605485 712662292 /nfs/dbraw/zinc/66/22/92/712662292.db2.gz GBUOZCZOMYUUSK-UHFFFAOYSA-N 1 0 234.259 0.967 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000717732120 712668173 /nfs/dbraw/zinc/66/81/73/712668173.db2.gz HDBGXNFMVXOXTL-CHWSQXEVSA-N 1 0 240.347 0.071 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@H]1COC(C)(C)C1 ZINC000717750734 712668911 /nfs/dbraw/zinc/66/89/11/712668911.db2.gz VRDOPPHNKNUZRO-WDEREUQCSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1COC(C)(C)C1 ZINC000717750721 712669119 /nfs/dbraw/zinc/66/91/19/712669119.db2.gz VRDOPPHNKNUZRO-GHMZBOCLSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000717763901 712674187 /nfs/dbraw/zinc/67/41/87/712674187.db2.gz YUSHZSSNKRYEGS-WOPDTQHZSA-N 1 0 211.305 0.918 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(C)nc1 ZINC000717777328 712675754 /nfs/dbraw/zinc/67/57/54/712675754.db2.gz SKTZNDYFLXRWHF-LBPRGKRZSA-N 1 0 204.273 0.864 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]C[C@@]1(OC)CCOC1 ZINC000717785901 712676872 /nfs/dbraw/zinc/67/68/72/712676872.db2.gz GNJPQFBMDAXURE-RYUDHWBXSA-N 1 0 227.304 0.156 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cn(C)nc1C ZINC000717785906 712677043 /nfs/dbraw/zinc/67/70/43/712677043.db2.gz GORPIEWFEMDIFO-LLVKDONJSA-N 1 0 207.277 0.202 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(OC)n1 ZINC000717813689 712680562 /nfs/dbraw/zinc/68/05/62/712680562.db2.gz MSGBPVBYOOGKCZ-LLVKDONJSA-N 1 0 220.272 0.564 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccnn1CCC ZINC000717813437 712680843 /nfs/dbraw/zinc/68/08/43/712680843.db2.gz JHPWAMCRPYQJAX-NSHDSACASA-N 1 0 221.304 0.767 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000717824197 712681773 /nfs/dbraw/zinc/68/17/73/712681773.db2.gz VTFJOSRXHHCOMG-CYBMUJFWSA-N 1 0 224.348 0.835 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000717824203 712681784 /nfs/dbraw/zinc/68/17/84/712681784.db2.gz VTFJOSRXHHCOMG-ZDUSSCGKSA-N 1 0 224.348 0.835 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1CC ZINC000380183240 712706563 /nfs/dbraw/zinc/70/65/63/712706563.db2.gz MPXDIJMUUKDXQE-WDEREUQCSA-N 1 0 208.305 0.904 20 30 BCEDRO C#CC1(O)CC[NH+](CCC(=O)OC(C)C)CC1 ZINC000931143357 712713779 /nfs/dbraw/zinc/71/37/79/712713779.db2.gz HUXQPOLECRBSBL-UHFFFAOYSA-N 1 0 239.315 0.788 20 30 BCEDRO CCNC(NCCCNC(C)=O)=[NH+]CC ZINC000195522294 712730557 /nfs/dbraw/zinc/73/05/57/712730557.db2.gz ZSCRKGVHSSFUFP-UHFFFAOYSA-N 1 0 214.313 0.088 20 30 BCEDRO COC[C@@H](C)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000195523287 712730562 /nfs/dbraw/zinc/73/05/62/712730562.db2.gz MPQPMBMFOSHXRX-UWVGGRQHSA-N 1 0 229.324 0.352 20 30 BCEDRO CCOCCCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000195522616 712730657 /nfs/dbraw/zinc/73/06/57/712730657.db2.gz HVROWOKZCCZZEV-NSHDSACASA-N 1 0 243.351 0.886 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]CC1(O)CCCC1 ZINC000717885656 712731556 /nfs/dbraw/zinc/73/15/56/712731556.db2.gz CYIWPDIPBNVSKP-NSHDSACASA-N 1 0 211.305 0.655 20 30 BCEDRO N#Cc1ccc(C[NH2+]C2CC(CC(N)=O)C2)o1 ZINC000718426181 712760470 /nfs/dbraw/zinc/76/04/70/712760470.db2.gz PRUIGWZBNIMERF-UHFFFAOYSA-N 1 0 233.271 0.895 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000718986932 712792509 /nfs/dbraw/zinc/79/25/09/712792509.db2.gz GIKAMLXAUGSKEO-WDEREUQCSA-N 1 0 240.303 0.610 20 30 BCEDRO N#CCCC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719067147 712795170 /nfs/dbraw/zinc/79/51/70/712795170.db2.gz PDGPEWHQVLRSLE-JTQLQIEISA-N 1 0 210.277 0.985 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719091571 712796808 /nfs/dbraw/zinc/79/68/08/712796808.db2.gz OOIVGDCBIHGODB-LLVKDONJSA-N 1 0 227.304 0.884 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cnc2n1CCC2 ZINC000719154697 712798844 /nfs/dbraw/zinc/79/88/44/712798844.db2.gz XDLVZDZEJKEAJU-LLVKDONJSA-N 1 0 233.315 0.957 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)C2(C#N)CCC2)CC[N@@H+]1C ZINC000719354562 712805234 /nfs/dbraw/zinc/80/52/34/712805234.db2.gz NELWEWVUSRHQJB-NXEZZACHSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)o2)CC[N@@H+]1C ZINC000719365286 712805864 /nfs/dbraw/zinc/80/58/64/712805864.db2.gz YQFYNXNWGXPCKQ-SCZZXKLOSA-N 1 0 233.271 0.974 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+][C@@H](CCO)C1CC1 ZINC000380258997 712848806 /nfs/dbraw/zinc/84/88/06/712848806.db2.gz QZGJCNLPSAKWIM-ONGXEEELSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCNC(=O)CN(CC[NH2+]C)C(C)C ZINC000720774303 712864642 /nfs/dbraw/zinc/86/46/42/712864642.db2.gz KQRHMRRCEDUKIP-UHFFFAOYSA-N 1 0 213.325 0.218 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@@H](C#N)C1 ZINC000383991826 712887703 /nfs/dbraw/zinc/88/77/03/712887703.db2.gz NHRNTRINIVFBQC-QWHCGFSZSA-N 1 0 239.363 0.923 20 30 BCEDRO N#Cc1ccc(N2CCN3CC[NH2+]C[C@H]3C2)nc1 ZINC001164390188 718828129 /nfs/dbraw/zinc/82/81/29/718828129.db2.gz BVSRHSBPDAQCPC-LBPRGKRZSA-N 1 0 243.314 0.047 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 ZINC000153164482 719367410 /nfs/dbraw/zinc/36/74/10/719367410.db2.gz XFLAXDHCXIBSJS-NWDGAFQWSA-N 1 0 244.298 0.472 20 30 BCEDRO C=C[C@H](C)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418330686 192025247 /nfs/dbraw/zinc/02/52/47/192025247.db2.gz CRICKWIEMIDZKX-UWVGGRQHSA-N 1 0 211.309 0.860 20 30 BCEDRO CO[C@H]1C[C@@H](CN(C)C(=O)CC#N)[N@H+](C)C1 ZINC000408065766 136209792 /nfs/dbraw/zinc/20/97/92/136209792.db2.gz QELOBOFQAWWGEE-UWVGGRQHSA-N 1 0 225.292 0.078 20 30 BCEDRO C#CC[NH+](CC#C)CCCN1CCOCC1 ZINC000174523229 192025606 /nfs/dbraw/zinc/02/56/06/192025606.db2.gz AHZDKIOAWHWFBA-UHFFFAOYSA-N 1 0 220.316 0.277 20 30 BCEDRO C[NH+](C)CC1(C(=O)NC2(C#N)CC2)CC1 ZINC000602104613 349443063 /nfs/dbraw/zinc/44/30/63/349443063.db2.gz TUOQDYHKNMKYLO-UHFFFAOYSA-N 1 0 207.277 0.501 20 30 BCEDRO CC#CCN(C)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418337085 192025629 /nfs/dbraw/zinc/02/56/29/192025629.db2.gz JFILYCZKPNSQPM-NSHDSACASA-N 1 0 223.320 0.651 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1C(=O)NCC1(C#N)CC1 ZINC000602148284 349453504 /nfs/dbraw/zinc/45/35/04/349453504.db2.gz JAQCDICFZIULFL-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1cccnc1 ZINC000264859476 398139309 /nfs/dbraw/zinc/13/93/09/398139309.db2.gz LIHOUMBFPUCOGT-LLVKDONJSA-N 1 0 231.299 0.872 20 30 BCEDRO C=C[C@@H](C)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418330692 192025412 /nfs/dbraw/zinc/02/54/12/192025412.db2.gz CRICKWIEMIDZKX-ZJUUUORDSA-N 1 0 211.309 0.860 20 30 BCEDRO C[NH+](C)CC1(C(=O)N2CC[C@](F)(C#N)C2)CC1 ZINC000602141441 349451170 /nfs/dbraw/zinc/45/11/70/349451170.db2.gz NOOWLODDBGPOET-LBPRGKRZSA-N 1 0 239.294 0.792 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC000602125519 349456074 /nfs/dbraw/zinc/45/60/74/349456074.db2.gz YVDNFQBADYXIGN-NSHDSACASA-N 1 0 239.319 0.373 20 30 BCEDRO C[NH+](C)CC1(C(=O)N2CC(CC#N)C2)CC1 ZINC000602178455 349461554 /nfs/dbraw/zinc/46/15/54/349461554.db2.gz KFEKIMZJPXCDAF-UHFFFAOYSA-N 1 0 221.304 0.700 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)C1CC1 ZINC000602158750 349465432 /nfs/dbraw/zinc/46/54/32/349465432.db2.gz FBGIKGALEYFJSN-VIFPVBQESA-N 1 0 239.319 0.729 20 30 BCEDRO C[N@H+](CC(=O)N1CC(C#N)C1)CC(C)(C)C ZINC000602158892 349465543 /nfs/dbraw/zinc/46/55/43/349465543.db2.gz GZFMDTQIIHLGIN-UHFFFAOYSA-N 1 0 223.320 0.946 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3cc(C#N)ncn3)[C@H]2C1 ZINC000572352033 398143718 /nfs/dbraw/zinc/14/37/18/398143718.db2.gz PCUWJLSGTOHNBK-PWSUYJOCSA-N 1 0 243.314 0.879 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000649323609 398145260 /nfs/dbraw/zinc/14/52/60/398145260.db2.gz HQOARWBXIZTLRI-ITGUQSILSA-N 1 0 249.358 0.218 20 30 BCEDRO C#CC[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000378718390 346815474 /nfs/dbraw/zinc/81/54/74/346815474.db2.gz DHBRHENCWSXWEI-VXGBXAGGSA-N 1 0 209.289 0.529 20 30 BCEDRO NC(=[NH2+])NCc1cccnc1OCC(F)F ZINC000160327983 136214612 /nfs/dbraw/zinc/21/46/12/136214612.db2.gz WPQBFAWIMLVXNU-UHFFFAOYSA-N 1 0 230.218 0.499 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000649336389 398153278 /nfs/dbraw/zinc/15/32/78/398153278.db2.gz VUYALKIXIFOISR-QWRGUYRKSA-N 1 0 226.320 0.511 20 30 BCEDRO Cc1cc(C[NH2+]C[C@H](O)CO)ccc1C#N ZINC000336736127 178024388 /nfs/dbraw/zinc/02/43/88/178024388.db2.gz MISUDCOTDZWSFY-LBPRGKRZSA-N 1 0 220.272 0.310 20 30 BCEDRO N#CCC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000071128779 187324984 /nfs/dbraw/zinc/32/49/84/187324984.db2.gz MJTNYWWYTZRBBY-LLVKDONJSA-N 1 0 221.304 0.987 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000424205531 398175643 /nfs/dbraw/zinc/17/56/43/398175643.db2.gz GBAIEXAIITYFJG-SRVKXCTJSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000424207174 398176741 /nfs/dbraw/zinc/17/67/41/398176741.db2.gz IPHVOZTXLMLZRI-SRVKXCTJSA-N 1 0 238.331 0.693 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H](C)[C@@H](C)OC)nn1 ZINC000424290912 398180643 /nfs/dbraw/zinc/18/06/43/398180643.db2.gz CMWFRHRZFAYXHE-NXEZZACHSA-N 1 0 224.308 0.977 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CC[N@@H+](C)C[C@@H]2C)nn1 ZINC000424291602 398180700 /nfs/dbraw/zinc/18/07/00/398180700.db2.gz DVHNERMDNOBEEG-WCQYABFASA-N 1 0 249.362 0.894 20 30 BCEDRO CC#CC[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000308967448 136217267 /nfs/dbraw/zinc/21/72/67/136217267.db2.gz WTEVVHRCGLIJFO-LLVKDONJSA-N 1 0 211.261 0.322 20 30 BCEDRO N#C[C@H]1CCC[C@H]1[NH2+]CCN1CCCC1=O ZINC000309492951 136218537 /nfs/dbraw/zinc/21/85/37/136218537.db2.gz JHCOUXMMAPBWDO-GHMZBOCLSA-N 1 0 221.304 0.891 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@@H](CNS(N)(=O)=O)C1 ZINC000107302597 136218279 /nfs/dbraw/zinc/21/82/79/136218279.db2.gz JMFVOOJUMNBQKH-JTQLQIEISA-N 1 0 247.364 0.068 20 30 BCEDRO C=CCOCCCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638927454 398205457 /nfs/dbraw/zinc/20/54/57/398205457.db2.gz AKFISATYQUCCTI-QWRGUYRKSA-N 1 0 224.304 0.542 20 30 BCEDRO CNC(=[NH2+])NCC[C@](C)(O)c1ccccc1 ZINC000186025438 136220385 /nfs/dbraw/zinc/22/03/85/136220385.db2.gz WLBLNCCOSXFCSU-LBPRGKRZSA-N 1 0 221.304 0.818 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000386746234 398218984 /nfs/dbraw/zinc/21/89/84/398218984.db2.gz ZQZIIEARPPYXEM-GFCCVEGCSA-N 1 0 212.337 0.999 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418369983 192029268 /nfs/dbraw/zinc/02/92/68/192029268.db2.gz OIBWXNNYCXSRMF-WDEREUQCSA-N 1 0 241.335 0.365 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418397731 192032953 /nfs/dbraw/zinc/03/29/53/192032953.db2.gz JQQVAIUOFIAQLF-MNOVXSKESA-N 1 0 241.335 0.350 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418382571 192030711 /nfs/dbraw/zinc/03/07/11/192030711.db2.gz MJFYLRABQRWBFH-MNOVXSKESA-N 1 0 241.335 0.365 20 30 BCEDRO C=CCN(C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000418384064 192031024 /nfs/dbraw/zinc/03/10/24/192031024.db2.gz NYANNPBWPHQIBO-SECBINFHSA-N 1 0 209.293 0.708 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418387934 192031717 /nfs/dbraw/zinc/03/17/17/192031717.db2.gz UJRNAFWTHXOXAE-WDEREUQCSA-N 1 0 241.335 0.222 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@H](C)C[NH2+]C ZINC000418389145 192031742 /nfs/dbraw/zinc/03/17/42/192031742.db2.gz OAJIYUKJDDYFDD-LLVKDONJSA-N 1 0 243.351 0.686 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@H](C)C[NH2+]C ZINC000418402864 192033636 /nfs/dbraw/zinc/03/36/36/192033636.db2.gz ZNTCRHRDGLWXCI-SNVBAGLBSA-N 1 0 211.309 0.507 20 30 BCEDRO Cc1cc(S(=O)(=O)NCC[NH3+])ccc1C#N ZINC000235778257 178217214 /nfs/dbraw/zinc/21/72/14/178217214.db2.gz GWBMRYNGKVYQNQ-UHFFFAOYSA-N 1 0 239.300 0.104 20 30 BCEDRO N#Cc1ccc(C[N@@H+](CCO)C2CC2)nc1 ZINC000521337615 259305788 /nfs/dbraw/zinc/30/57/88/259305788.db2.gz BUJZIDCXVNVCTK-UHFFFAOYSA-N 1 0 217.272 0.910 20 30 BCEDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)o3)C[C@H]2C1 ZINC000335780589 398238025 /nfs/dbraw/zinc/23/80/25/398238025.db2.gz YEOOKAWXYOUTNC-AOOOYVTPSA-N 1 0 245.282 0.785 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CCOCC ZINC000093313863 398242953 /nfs/dbraw/zinc/24/29/53/398242953.db2.gz SGXGYHOXBFSOJO-JTQLQIEISA-N 1 0 212.293 0.093 20 30 BCEDRO N#CC1(C(=O)N2CC[C@H]([NH3+])C2)CC2(CC2)C1 ZINC000602427327 349533287 /nfs/dbraw/zinc/53/32/87/349533287.db2.gz FCUARPQYUPJYNH-VIFPVBQESA-N 1 0 219.288 0.630 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418422400 192037368 /nfs/dbraw/zinc/03/73/68/192037368.db2.gz AYOPUQIRFZCBPF-MNOVXSKESA-N 1 0 243.351 0.596 20 30 BCEDRO C[NH2+][C@H]1CCCN(C(=O)C2(C#N)CCC2)C1 ZINC000602427380 349533447 /nfs/dbraw/zinc/53/34/47/349533447.db2.gz GHQYRZVTDGEPQN-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@](C)(O)C(=O)OC ZINC000343676015 365620299 /nfs/dbraw/zinc/62/02/99/365620299.db2.gz CEFABHXCDLYETE-SNVBAGLBSA-N 1 0 201.266 0.418 20 30 BCEDRO CCC(C#N)(CC)C(=O)N1CC[C@H]([NH3+])C1 ZINC000602431554 349535637 /nfs/dbraw/zinc/53/56/37/349535637.db2.gz OLWOSPPJHWSROB-VIFPVBQESA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@H]1CN(C(=O)Cc2ccc(C#N)nc2)CC[NH2+]1 ZINC000602432991 349537084 /nfs/dbraw/zinc/53/70/84/349537084.db2.gz JFFNTDFAWOLHLP-JTQLQIEISA-N 1 0 244.298 0.316 20 30 BCEDRO CCC[NH2+]CCNC(=O)N(C)C[C@H](C)C#N ZINC000418470273 192038614 /nfs/dbraw/zinc/03/86/14/192038614.db2.gz IUWCNGXPGAUBDP-SNVBAGLBSA-N 1 0 226.324 0.787 20 30 BCEDRO C=C[C@@H](C(=O)OC)N(C)C[C@H]1CCC[N@@H+]1C ZINC000301052032 349556330 /nfs/dbraw/zinc/55/63/30/349556330.db2.gz VJQPJOVJUWXRDZ-MNOVXSKESA-N 1 0 226.320 0.740 20 30 BCEDRO CCC(C#N)(CC)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000602489178 349570287 /nfs/dbraw/zinc/57/02/87/349570287.db2.gz HTWUBKNRZICWLM-PHIMTYICSA-N 1 0 235.331 0.994 20 30 BCEDRO N#CC1(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)CCC1 ZINC000602495922 349558734 /nfs/dbraw/zinc/55/87/34/349558734.db2.gz IDLIFEFLDIBDSB-UWVGGRQHSA-N 1 0 221.304 0.924 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000602527299 349578433 /nfs/dbraw/zinc/57/84/33/349578433.db2.gz OALXEWSFWFQHBP-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO CCC(C#N)(CC)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000602511442 349585388 /nfs/dbraw/zinc/58/53/88/349585388.db2.gz RXEZMORKBXSPPC-JTQLQIEISA-N 1 0 239.319 0.421 20 30 BCEDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc(C#N)nc1 ZINC000602512563 349586078 /nfs/dbraw/zinc/58/60/78/349586078.db2.gz CHDYLOUEUAPKNZ-ZJUUUORDSA-N 1 0 246.314 0.738 20 30 BCEDRO C[C@]1(C(=O)N[C@@H]2CC[C@H](C#N)C2)C[NH2+]CCO1 ZINC000602514085 349587108 /nfs/dbraw/zinc/58/71/08/349587108.db2.gz HIRJCVDYTVQFRY-HOSYDEDBSA-N 1 0 237.303 0.173 20 30 BCEDRO CC[NH2+][C@@H](C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000602514787 349587128 /nfs/dbraw/zinc/58/71/28/349587128.db2.gz LZJSIQGIGOIESU-LPEHRKFASA-N 1 0 209.293 0.793 20 30 BCEDRO C[NH2+]CCOCCNC(=O)CCCCC#N ZINC000602545925 349589446 /nfs/dbraw/zinc/58/94/46/349589446.db2.gz ZUDSGUXXCVMXEA-UHFFFAOYSA-N 1 0 227.308 0.423 20 30 BCEDRO C=CCOCC[N@@H+]1CCO[C@@](C)(COC)C1 ZINC000626177644 346838347 /nfs/dbraw/zinc/83/83/47/346838347.db2.gz SBAKJIVTDJQCHZ-GFCCVEGCSA-N 1 0 229.320 0.926 20 30 BCEDRO N#Cc1ccc(C(=O)NCCOCCC[NH3+])cc1 ZINC000602552262 349593703 /nfs/dbraw/zinc/59/37/03/349593703.db2.gz MNFQMERRLSBQNL-UHFFFAOYSA-N 1 0 247.298 0.653 20 30 BCEDRO C[C@H]1CC[C@@H](NC(=O)C2(C#N)CCC2)C[NH2+]1 ZINC000602551841 349593913 /nfs/dbraw/zinc/59/39/13/349593913.db2.gz GBBDTTOFQPZDRQ-VHSXEESVSA-N 1 0 221.304 0.937 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+]Cc2cnn[nH]2)C1 ZINC000600177029 342696434 /nfs/dbraw/zinc/69/64/34/342696434.db2.gz LSZYVNGHKUPCLK-BDAKNGLRSA-N 1 0 205.265 0.977 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418494657 192042077 /nfs/dbraw/zinc/04/20/77/192042077.db2.gz YSIVPIAFCYJGGE-JTQLQIEISA-N 1 0 209.293 0.388 20 30 BCEDRO C=C[C@H](C)NC(=O)NCC[NH2+]CCOC ZINC000418496924 192042222 /nfs/dbraw/zinc/04/22/22/192042222.db2.gz IWSXPIUHPKWYID-VIFPVBQESA-N 1 0 215.297 0.096 20 30 BCEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)C(=O)N(C)C ZINC000602588459 349613611 /nfs/dbraw/zinc/61/36/11/349613611.db2.gz MOZQWFREBWRDJE-VHSXEESVSA-N 1 0 211.309 0.993 20 30 BCEDRO N#CC1(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCOCC1 ZINC000602591819 349615164 /nfs/dbraw/zinc/61/51/64/349615164.db2.gz NQFZCGXLXDMPBF-QWRGUYRKSA-N 1 0 249.314 0.270 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000320993752 342749116 /nfs/dbraw/zinc/74/91/16/342749116.db2.gz JOBXHCWUXNRPPM-SFYZADRCSA-N 1 0 227.226 0.826 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000320993750 342749191 /nfs/dbraw/zinc/74/91/91/342749191.db2.gz JOBXHCWUXNRPPM-HTQZYQBOSA-N 1 0 227.226 0.826 20 30 BCEDRO C[C@H](C#N)C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000309593408 342729288 /nfs/dbraw/zinc/72/92/88/342729288.db2.gz VMYQDIWASURVHD-ZJUUUORDSA-N 1 0 219.292 0.674 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000583331816 342735209 /nfs/dbraw/zinc/73/52/09/342735209.db2.gz OUTZKZDZMGGNBT-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO CC#CCN(C)C(=O)C[N@H+](C)C1CCC1 ZINC000629996184 361879753 /nfs/dbraw/zinc/87/97/53/361879753.db2.gz QTLTXLNTGXATMG-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000259999343 349617822 /nfs/dbraw/zinc/61/78/22/349617822.db2.gz UWTODTNEPJESAG-GARJFASQSA-N 1 0 221.304 0.747 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000321170828 342751556 /nfs/dbraw/zinc/75/15/56/342751556.db2.gz JDLBYCBEQJPRJI-SNVBAGLBSA-N 1 0 239.319 0.109 20 30 BCEDRO COC[C@@](C)(O)C[NH2+]Cc1nc(C#N)cs1 ZINC000309671167 342780072 /nfs/dbraw/zinc/78/00/72/342780072.db2.gz WARBTJSONGAWNK-JTQLQIEISA-N 1 0 241.316 0.502 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418503058 192043911 /nfs/dbraw/zinc/04/39/11/192043911.db2.gz WRLUCIBGRZUNNW-GXSJLCMTSA-N 1 0 241.335 0.208 20 30 BCEDRO CC#CCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418547060 192044000 /nfs/dbraw/zinc/04/40/00/192044000.db2.gz ISLJZPXCTHLMGR-SNVBAGLBSA-N 1 0 209.293 0.451 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000588753036 398285705 /nfs/dbraw/zinc/28/57/05/398285705.db2.gz IAIYPVSQOVSDHH-ONGXEEELSA-N 1 0 242.298 0.584 20 30 BCEDRO CC[C@@H]1C[C@H]1NC(=O)[C@H]([NH3+])CCCC#N ZINC000602570568 349620770 /nfs/dbraw/zinc/62/07/70/349620770.db2.gz CVTYNIBLBZFLRB-OPRDCNLKSA-N 1 0 209.293 0.922 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)CCOC1C[NH2+]C1 ZINC000602594202 349623273 /nfs/dbraw/zinc/62/32/73/349623273.db2.gz UPCBVMMDDODWIF-VIFPVBQESA-N 1 0 225.292 0.125 20 30 BCEDRO C[NH+]1CCN(c2ccc(C#N)c(N)n2)CC1 ZINC000581835235 342811608 /nfs/dbraw/zinc/81/16/08/342811608.db2.gz QYFUOHHOPLROOR-UHFFFAOYSA-N 1 0 217.276 0.287 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@H](C)C[NH3+] ZINC000418510011 192045708 /nfs/dbraw/zinc/04/57/08/192045708.db2.gz BRYGEIVLRCCCLA-SECBINFHSA-N 1 0 215.297 0.178 20 30 BCEDRO CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000602603407 349626389 /nfs/dbraw/zinc/62/63/89/349626389.db2.gz RPNUBNBCCKYRKV-LPEHRKFASA-N 1 0 209.293 0.874 20 30 BCEDRO CN(C)C(=O)CCC[NH2+]C[C@@H](C#N)CCC#N ZINC000583989703 342830273 /nfs/dbraw/zinc/83/02/73/342830273.db2.gz NJBIOIAVMVKLTD-LLVKDONJSA-N 1 0 236.319 0.888 20 30 BCEDRO COCC[NH2+]CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000602603517 349626468 /nfs/dbraw/zinc/62/64/68/349626468.db2.gz UAWDRKCSJUPOFT-GHMZBOCLSA-N 1 0 239.319 0.373 20 30 BCEDRO C=C(C)COCCNC(=O)NCCC[NH2+]CC ZINC000669533523 488183537 /nfs/dbraw/zinc/18/35/37/488183537.db2.gz IFEJOERTVUBATL-UHFFFAOYSA-N 1 0 243.351 0.878 20 30 BCEDRO C[C@@H](C#N)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000602607088 349628782 /nfs/dbraw/zinc/62/87/82/349628782.db2.gz GSTBKBDBQOHZJX-NSHDSACASA-N 1 0 239.363 0.971 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)CCCC(=O)NC ZINC000678049057 488184804 /nfs/dbraw/zinc/18/48/04/488184804.db2.gz CFEJGYZWZBMVSP-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CCN(C)C[C@H]1C ZINC000335860804 398300670 /nfs/dbraw/zinc/30/06/70/398300670.db2.gz DZEGXNXAODFRKV-ZYHUDNBSSA-N 1 0 226.320 0.476 20 30 BCEDRO N#Cc1ccc(OCCNC(=O)NCC[NH3+])cc1 ZINC000417761529 398307862 /nfs/dbraw/zinc/30/78/62/398307862.db2.gz KJMJKGPPTCTGOI-UHFFFAOYSA-N 1 0 248.286 0.195 20 30 BCEDRO COCC[N@H+](CC(=O)NCC#N)C1CCCC1 ZINC000066492869 398310040 /nfs/dbraw/zinc/31/00/40/398310040.db2.gz ZTDUCQQQKBTGKK-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO CC(C)C[N@H+](CC(=O)NCC#N)C1CC1 ZINC000066492533 398310208 /nfs/dbraw/zinc/31/02/08/398310208.db2.gz OIDBYNXSEUTRGN-UHFFFAOYSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000602610568 349635011 /nfs/dbraw/zinc/63/50/11/349635011.db2.gz BQCSJTSESMXZRT-OLZOCXBDSA-N 1 0 237.347 0.943 20 30 BCEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000602610216 349633361 /nfs/dbraw/zinc/63/33/61/349633361.db2.gz GUMXQSLNGRRVQN-VHSXEESVSA-N 1 0 209.293 0.937 20 30 BCEDRO CC[C@H](CC#N)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000602610214 349633971 /nfs/dbraw/zinc/63/39/71/349633971.db2.gz GUMXQSLNGRRVQN-NXEZZACHSA-N 1 0 209.293 0.937 20 30 BCEDRO C[C@H]1CN(c2ccnc(C#N)c2)CC[N@@H+]1CCO ZINC000343047688 342908905 /nfs/dbraw/zinc/90/89/05/342908905.db2.gz NZJDNPBGAAUYCV-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418562136 192051069 /nfs/dbraw/zinc/05/10/69/192051069.db2.gz TXACXDCMAUKKGE-MXWKQRLJSA-N 1 0 241.335 0.221 20 30 BCEDRO C=CCNC(=O)C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000351515521 136246598 /nfs/dbraw/zinc/24/65/98/136246598.db2.gz GHRJMXYDTPHUMH-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418569249 192051538 /nfs/dbraw/zinc/05/15/38/192051538.db2.gz HTJRUXXBDMFVSA-GMTAPVOTSA-N 1 0 238.335 0.785 20 30 BCEDRO CCN(C)C(=O)C[NH2+]C[C@H](C)CCC#N ZINC000602618692 349639736 /nfs/dbraw/zinc/63/97/36/349639736.db2.gz DRZVCZRPOZRKTB-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)Cc1nncn1C ZINC000562383605 323018815 /nfs/dbraw/zinc/01/88/15/323018815.db2.gz BATYGWBSOXSDHI-UHFFFAOYSA-N 1 0 237.351 0.755 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)NCC1(C#N)CC1 ZINC000562394641 323019053 /nfs/dbraw/zinc/01/90/53/323019053.db2.gz HPCWWJUEZCJUJU-UHFFFAOYSA-N 1 0 224.308 0.493 20 30 BCEDRO CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H]1CCC[C@@H]1C#N ZINC000602600952 349647623 /nfs/dbraw/zinc/64/76/23/349647623.db2.gz IFOQQAHRVLJWFN-GWOFURMSSA-N 1 0 221.304 0.874 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NC[C@@H](C)[NH2+]CC ZINC000418588402 192054416 /nfs/dbraw/zinc/05/44/16/192054416.db2.gz GBWRFCHPXPXKNB-ZJUUUORDSA-N 1 0 229.324 0.221 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C(=O)OC ZINC000602598302 349644941 /nfs/dbraw/zinc/64/49/41/349644941.db2.gz AZWIPTZIZVCSHB-GUBZILKMSA-N 1 0 240.303 0.348 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@H]1C[C@@H]([NH3+])C1)C(=O)OC ZINC000602598303 349645204 /nfs/dbraw/zinc/64/52/04/349645204.db2.gz AZWIPTZIZVCSHB-KXUCPTDWSA-N 1 0 240.303 0.348 20 30 BCEDRO CN(C(=O)C[NH2+]C1CC1)[C@@H]1CCC[C@@H]1C#N ZINC000602599929 349645621 /nfs/dbraw/zinc/64/56/21/349645621.db2.gz CRWZZFQWNHQUBV-MWLCHTKSSA-N 1 0 221.304 0.889 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)CC(C)(C)[NH3+])C(=O)OC ZINC000602599814 349645627 /nfs/dbraw/zinc/64/56/27/349645627.db2.gz LHFSZXSMWHQBRV-SECBINFHSA-N 1 0 242.319 0.738 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)CC[NH2+]C)C(=O)OC ZINC000602599109 349645662 /nfs/dbraw/zinc/64/56/62/349645662.db2.gz GZLYCKCTLPSOKU-SECBINFHSA-N 1 0 228.292 0.220 20 30 BCEDRO CO[C@H](C[NH3+])CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000602600017 349645813 /nfs/dbraw/zinc/64/58/13/349645813.db2.gz DSMGQXIATOXWBO-OUAUKWLOSA-N 1 0 239.319 0.501 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@H](C)[C@@H](C)[NH3+])C(=O)OC ZINC000602599328 349646167 /nfs/dbraw/zinc/64/61/67/349646167.db2.gz HWBPGPXQWLHFBF-BBBLOLIVSA-N 1 0 242.319 0.594 20 30 BCEDRO C=C(C)C[C@H](NC(=O)CCCC[NH3+])C(=O)OC ZINC000602600541 349646648 /nfs/dbraw/zinc/64/66/48/349646648.db2.gz OKZLMMAIPGZYIM-JTQLQIEISA-N 1 0 242.319 0.739 20 30 BCEDRO CC[C@@H](CC#N)NC(=O)/C=C/C[NH+](C)C ZINC000492607819 529444738 /nfs/dbraw/zinc/44/47/38/529444738.db2.gz ZXLYUNRSMRDYCT-PORFMDCZSA-N 1 0 209.293 0.913 20 30 BCEDRO C[C@H]1CC[N@H+](CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000539809214 398329881 /nfs/dbraw/zinc/32/98/81/398329881.db2.gz XGXCVVSFBAUSBY-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@@H](C)[NH2+]CC ZINC000418594263 192055135 /nfs/dbraw/zinc/05/51/35/192055135.db2.gz UITJUGXBJBPHMG-MNOVXSKESA-N 1 0 243.351 0.468 20 30 BCEDRO CC#CCN(C)C(=O)NCCC1=CC[NH2+]CC1 ZINC000418596004 192055357 /nfs/dbraw/zinc/05/53/57/192055357.db2.gz BAUBJXBZJIQBBW-UHFFFAOYSA-N 1 0 235.331 0.961 20 30 BCEDRO COCC[C@@H](CO)[NH2+]C[C@H](C)CCC#N ZINC000602655445 349661919 /nfs/dbraw/zinc/66/19/19/349661919.db2.gz KSTFGADYOBRWPU-MNOVXSKESA-N 1 0 214.309 0.913 20 30 BCEDRO C[C@@H](C[NH+](C)C)NCc1cccc(C#N)n1 ZINC000602656382 349661994 /nfs/dbraw/zinc/66/19/94/349661994.db2.gz SZKMRXHXTCQPQF-JTQLQIEISA-N 1 0 218.304 0.993 20 30 BCEDRO CNS(=O)(=O)CC[NH2+]C[C@@H](C)CCC#N ZINC000602626999 349664112 /nfs/dbraw/zinc/66/41/12/349664112.db2.gz OGXIRAYBNKRFIQ-VIFPVBQESA-N 1 0 233.337 0.065 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C1COCCOC1 ZINC000602672531 349667041 /nfs/dbraw/zinc/66/70/41/349667041.db2.gz PWMYTEKSPMROCW-SNVBAGLBSA-N 1 0 212.293 0.931 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCN(CCO)C[C@@H]1C ZINC000602686121 349677910 /nfs/dbraw/zinc/67/79/10/349677910.db2.gz OWXWLWWODZTVBE-OLZOCXBDSA-N 1 0 239.363 0.925 20 30 BCEDRO Cc1cccc(OC[C@@H](O)C[NH2+]CC#CCO)c1 ZINC000580311222 346890769 /nfs/dbraw/zinc/89/07/69/346890769.db2.gz BOBSFLQGUIVXMB-ZDUSSCGKSA-N 1 0 249.310 0.320 20 30 BCEDRO COCC1(O)C[NH+](C[C@@H](C)CCC#N)C1 ZINC000602689185 349679284 /nfs/dbraw/zinc/67/92/84/349679284.db2.gz SWHAQESOOLGLMK-JTQLQIEISA-N 1 0 212.293 0.619 20 30 BCEDRO Cc1cccc(OC[C@H](O)C[NH2+]CC#CCO)c1 ZINC000580311221 346891077 /nfs/dbraw/zinc/89/10/77/346891077.db2.gz BOBSFLQGUIVXMB-CYBMUJFWSA-N 1 0 249.310 0.320 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[NH2+]C2(CCC2)C1 ZINC000648184047 398343450 /nfs/dbraw/zinc/34/34/50/398343450.db2.gz USHWDEKCIIBAQG-LLVKDONJSA-N 1 0 238.331 0.980 20 30 BCEDRO C=C(C)CC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000351761972 136252196 /nfs/dbraw/zinc/25/21/96/136252196.db2.gz PFBRIAPQJOETCC-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C[C@H](O)C1([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602718916 349687587 /nfs/dbraw/zinc/68/75/87/349687587.db2.gz SZMYBCIVWCDTBO-VIFPVBQESA-N 1 0 217.272 0.956 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000602693223 349689689 /nfs/dbraw/zinc/68/96/89/349689689.db2.gz DEWMVWKBAFCZIC-MNOVXSKESA-N 1 0 248.334 0.907 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000602695077 349691373 /nfs/dbraw/zinc/69/13/73/349691373.db2.gz CPSNRDSZVZNHLI-GFCCVEGCSA-N 1 0 233.271 0.638 20 30 BCEDRO CO[C@@]1(C[N@@H+]2CC[C@](O)(CC#N)C2)CCOC1 ZINC000602694737 349691652 /nfs/dbraw/zinc/69/16/52/349691652.db2.gz BVBMPOMFKKFCBQ-VXGBXAGGSA-N 1 0 240.303 0.142 20 30 BCEDRO CC(=O)NCC[N@@H+](C)C[C@@H](C)CCC#N ZINC000602698635 349694583 /nfs/dbraw/zinc/69/45/83/349694583.db2.gz SXTPJFVOQLBNTP-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO CC(C)(C[NH+]1CC(CC#N)C1)N1CCOCC1 ZINC000602706693 349700012 /nfs/dbraw/zinc/70/00/12/349700012.db2.gz HMUUZWWSHVNUTM-UHFFFAOYSA-N 1 0 237.347 0.943 20 30 BCEDRO C[C@H](CCC#N)C[NH+]1CC(C)(C(N)=O)C1 ZINC000602703347 349698020 /nfs/dbraw/zinc/69/80/20/349698020.db2.gz ZFYVSUDSNKNYGN-SECBINFHSA-N 1 0 209.293 0.733 20 30 BCEDRO C[C@@H](CCC#N)C[NH+](CCO)CCO ZINC000602713893 349705695 /nfs/dbraw/zinc/70/56/95/349705695.db2.gz GGJCCHKNTQGHCI-JTQLQIEISA-N 1 0 200.282 0.213 20 30 BCEDRO N#CC1CCC([NH2+]Cc2cnn[nH]2)CC1 ZINC000602716607 349707376 /nfs/dbraw/zinc/70/73/76/349707376.db2.gz UKZYOGMPCLBFCO-UHFFFAOYSA-N 1 0 205.265 0.977 20 30 BCEDRO N#CCCC1CCN(C(=O)NCC[NH3+])CC1 ZINC000518179436 259338228 /nfs/dbraw/zinc/33/82/28/259338228.db2.gz CCYBRPANDKYADZ-UHFFFAOYSA-N 1 0 224.308 0.670 20 30 BCEDRO N#CC1CCC([NH2+]CCN2CC[C@H](O)C2)CC1 ZINC000602730625 349717054 /nfs/dbraw/zinc/71/70/54/349717054.db2.gz SBQKHKOASAWQBI-BPCQOVAHSA-N 1 0 237.347 0.725 20 30 BCEDRO C[C@H](CCC#N)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000518193170 259338736 /nfs/dbraw/zinc/33/87/36/259338736.db2.gz VXLBZTMKDUJGPX-ZJUUUORDSA-N 1 0 209.293 0.841 20 30 BCEDRO C=CCC[C@H](CC)[NH2+]CC(=O)NCC(=O)OC ZINC000602752048 349731125 /nfs/dbraw/zinc/73/11/25/349731125.db2.gz WIUPQNFGLNWALH-JTQLQIEISA-N 1 0 242.319 0.610 20 30 BCEDRO C[C@H](CC#N)N[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000602861293 349772458 /nfs/dbraw/zinc/77/24/58/349772458.db2.gz GAMXLDVUWJEFQT-GMTAPVOTSA-N 1 0 239.319 0.562 20 30 BCEDRO C[C@H]1CN(Cc2cncn2C)C[C@H](C)N1CC#N ZINC000602861840 349773411 /nfs/dbraw/zinc/77/34/11/349773411.db2.gz MCPWXKXADOXFKG-RYUDHWBXSA-N 1 0 247.346 0.838 20 30 BCEDRO C[C@@H]1CN(Cc2nccn2C)C[C@@H](C)N1CC#N ZINC000602848726 349783958 /nfs/dbraw/zinc/78/39/58/349783958.db2.gz HYIIMYRBIVOGQQ-VXGBXAGGSA-N 1 0 247.346 0.838 20 30 BCEDRO C[C@H](CO)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854454 349787907 /nfs/dbraw/zinc/78/79/07/349787907.db2.gz PJHSKSONOZQWET-SRVKXCTJSA-N 1 0 225.336 0.533 20 30 BCEDRO C[C@H](CO)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854453 349788050 /nfs/dbraw/zinc/78/80/50/349788050.db2.gz PJHSKSONOZQWET-SDDRHHMPSA-N 1 0 225.336 0.533 20 30 BCEDRO COC[C@H](C)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602851907 349786185 /nfs/dbraw/zinc/78/61/85/349786185.db2.gz YCSWWNPBPHOLOB-UTUOFQBUSA-N 1 0 225.336 0.939 20 30 BCEDRO COC[C@H](C)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851905 349786204 /nfs/dbraw/zinc/78/62/04/349786204.db2.gz YCSWWNPBPHOLOB-SRVKXCTJSA-N 1 0 225.336 0.939 20 30 BCEDRO CCOCC[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602852230 349786334 /nfs/dbraw/zinc/78/63/34/349786334.db2.gz ABYCXBQGMKDHHA-TXEJJXNPSA-N 1 0 225.336 0.941 20 30 BCEDRO CCOCC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602852229 349786663 /nfs/dbraw/zinc/78/66/63/349786663.db2.gz ABYCXBQGMKDHHA-RYUDHWBXSA-N 1 0 225.336 0.941 20 30 BCEDRO C#CCN(CC#C)C[C@@H](O)COCC(C)C ZINC000174528883 187226646 /nfs/dbraw/zinc/22/66/46/187226646.db2.gz QVSIBAPECIOYNQ-CYBMUJFWSA-N 1 0 223.316 0.588 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCC[C@H]1O ZINC000352687986 136264323 /nfs/dbraw/zinc/26/43/23/136264323.db2.gz ANVQWBFKDDHGBH-GARJFASQSA-N 1 0 226.320 0.522 20 30 BCEDRO C[C@@H]1C[N@@H+](C[C@H]2CCOC2)C[C@H](C)N1CC#N ZINC000602854462 349787753 /nfs/dbraw/zinc/78/77/53/349787753.db2.gz PLQOFXLDCIBMFB-FRRDWIJNSA-N 1 0 237.347 0.941 20 30 BCEDRO C=CCCCC(=O)NCC[NH2+]CCOC ZINC000179381609 187228054 /nfs/dbraw/zinc/22/80/54/187228054.db2.gz DIVPZUPUPRNPMT-UHFFFAOYSA-N 1 0 214.309 0.695 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H]1C ZINC000177881767 187228074 /nfs/dbraw/zinc/22/80/74/187228074.db2.gz CTABDBUOPOGCAI-AXFHLTTASA-N 1 0 208.305 0.855 20 30 BCEDRO C=CCOCCC[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000634649633 343061798 /nfs/dbraw/zinc/06/17/98/343061798.db2.gz QRWDQFONDCXNDI-LBPRGKRZSA-N 1 0 243.347 0.835 20 30 BCEDRO C=CC[C@H](C)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418668511 192059584 /nfs/dbraw/zinc/05/95/84/192059584.db2.gz IAEHLTBMBLKBLG-AXTSPUMRSA-N 1 0 209.293 0.468 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418671958 192059604 /nfs/dbraw/zinc/05/96/04/192059604.db2.gz NCYRJRMRWJFQSE-URLYPYJESA-N 1 0 239.319 0.048 20 30 BCEDRO C=CCNC(=O)[C@@H](C)n1cc([C@H](C)[NH2+]C)nn1 ZINC000640883317 362069181 /nfs/dbraw/zinc/06/91/81/362069181.db2.gz FXXAIJILYKEGSY-DTWKUNHWSA-N 1 0 237.307 0.422 20 30 BCEDRO CC[C@H](CC#N)[NH2+][C@H](C)CN1CCOCC1 ZINC000049504635 343111260 /nfs/dbraw/zinc/11/12/60/343111260.db2.gz AHCKYCJUFMBKKA-VXGBXAGGSA-N 1 0 225.336 0.989 20 30 BCEDRO C[C@H](CC#N)[N@H+](C)CCCC(=O)NC(N)=O ZINC000177368233 346927356 /nfs/dbraw/zinc/92/73/56/346927356.db2.gz BGKGBSKEPCIBER-MRVPVSSYSA-N 1 0 226.280 0.195 20 30 BCEDRO C=CCCCCn1cc([C@H]([NH3+])CO)nn1 ZINC000640938439 362082138 /nfs/dbraw/zinc/08/21/38/362082138.db2.gz ANSCLKQAQSBABX-SECBINFHSA-N 1 0 210.281 0.627 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000361580911 136268707 /nfs/dbraw/zinc/26/87/07/136268707.db2.gz DGXCUMKHUNCWJJ-AVGNSLFASA-N 1 0 243.347 0.785 20 30 BCEDRO C=C1CC[NH+](Cc2cn(C)c(=O)n(C)c2=O)CC1 ZINC000271171828 187236332 /nfs/dbraw/zinc/23/63/32/187236332.db2.gz QJYUBNHTCZRBQU-UHFFFAOYSA-N 1 0 249.314 0.236 20 30 BCEDRO C#CCC[N@@H+]1CCC[C@H](n2cncn2)C1 ZINC000270584375 187236502 /nfs/dbraw/zinc/23/65/02/187236502.db2.gz JCNJDCGDTCBQST-NSHDSACASA-N 1 0 204.277 0.938 20 30 BCEDRO CCOCC[C@@H](O)C[NH2+][C@H](C)CC#N ZINC000602868420 349799073 /nfs/dbraw/zinc/79/90/73/349799073.db2.gz BGZKADFQWPEOPS-NXEZZACHSA-N 1 0 200.282 0.666 20 30 BCEDRO C=C(C)CC[N@H+]1CCC[C@@H](O)[C@H]1C(=O)OC ZINC000275679318 187237708 /nfs/dbraw/zinc/23/77/08/187237708.db2.gz ZSLJWEHLJTVNNC-MNOVXSKESA-N 1 0 227.304 0.951 20 30 BCEDRO C[C@H]([NH2+]CCOCCC#N)[C@H]1CCOC1 ZINC000339085505 136271201 /nfs/dbraw/zinc/27/12/01/136271201.db2.gz NOHPSUYBMRVREJ-QWRGUYRKSA-N 1 0 212.293 0.931 20 30 BCEDRO C[C@H](C#N)C(=O)NCCC[NH+]1CCCC1 ZINC000062079335 136271975 /nfs/dbraw/zinc/27/19/75/136271975.db2.gz HEKBVEKNYURXKY-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@H](CNC(=O)[C@H](C)C#N)C[NH+]1CCCC1 ZINC000062079197 136271988 /nfs/dbraw/zinc/27/19/88/136271988.db2.gz HBVKDQNCWBWFAO-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC(C)(C)[NH+](C)C ZINC000278676880 187239709 /nfs/dbraw/zinc/23/97/09/187239709.db2.gz QDRMUCXGKYFJOW-LBPRGKRZSA-N 1 0 228.336 0.770 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000277625537 187239756 /nfs/dbraw/zinc/23/97/56/187239756.db2.gz BVEYMNFVGOWTDY-GARJFASQSA-N 1 0 224.304 0.139 20 30 BCEDRO CC#CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000277872886 187240102 /nfs/dbraw/zinc/24/01/02/187240102.db2.gz ZYUZMRQBGJDSHU-MNOVXSKESA-N 1 0 208.305 0.808 20 30 BCEDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@H](C)CC#N ZINC000602868886 349800142 /nfs/dbraw/zinc/80/01/42/349800142.db2.gz DVDSUUGJDQBDSA-MRVPVSSYSA-N 1 0 237.263 0.992 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000339168571 136280622 /nfs/dbraw/zinc/28/06/22/136280622.db2.gz GBBVXJVBGBQVQY-LLVKDONJSA-N 1 0 238.331 0.980 20 30 BCEDRO CN(C)c1ccc(CNC(=[NH2+])NC2CC2)cn1 ZINC000264095852 136281341 /nfs/dbraw/zinc/28/13/41/136281341.db2.gz MLTDBSKWDITTFN-UHFFFAOYSA-N 1 0 233.319 0.714 20 30 BCEDRO C=CCOCCn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641029875 362142368 /nfs/dbraw/zinc/14/23/68/362142368.db2.gz LFMBGXOAQRJKTC-NSHDSACASA-N 1 0 236.319 0.633 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418698559 192061421 /nfs/dbraw/zinc/06/14/21/192061421.db2.gz NCZPBZPPURKKOW-KXUCPTDWSA-N 1 0 229.324 0.348 20 30 BCEDRO C[C@@](O)(CNC(N)=[NH2+])c1cccc(Cl)c1 ZINC000274080853 136284630 /nfs/dbraw/zinc/28/46/30/136284630.db2.gz NHPCAXOLPKPHMW-SNVBAGLBSA-N 1 0 227.695 0.821 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ncoc1C ZINC000294040131 136289768 /nfs/dbraw/zinc/28/97/68/136289768.db2.gz SIMBVGPRLYOWGM-UHFFFAOYSA-N 1 0 235.287 0.668 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@H](O)Cc1ccccc1 ZINC000284994890 136287100 /nfs/dbraw/zinc/28/71/00/136287100.db2.gz HPHWGKSDKHSHEE-LBPRGKRZSA-N 1 0 233.315 0.481 20 30 BCEDRO Cc1n[nH]cc1CCCNC1=[NH+]C[C@H](C)N1 ZINC000285011798 136287119 /nfs/dbraw/zinc/28/71/19/136287119.db2.gz IRJRFIVDLLPDQA-QMMMGPOBSA-N 1 0 221.308 0.588 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H](O)CCc2ccccc2)N1 ZINC000284934131 136287137 /nfs/dbraw/zinc/28/71/37/136287137.db2.gz CSQAWAYSSOEJGS-AAEUAGOBSA-N 1 0 247.342 0.917 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H](O)CCc2ccccc2)N1 ZINC000284934147 136287318 /nfs/dbraw/zinc/28/73/18/136287318.db2.gz CSQAWAYSSOEJGS-YPMHNXCESA-N 1 0 247.342 0.917 20 30 BCEDRO Cc1nccn1CCCCNC1=[NH+]C[C@H](C)N1 ZINC000285028264 136287443 /nfs/dbraw/zinc/28/74/43/136287443.db2.gz JRQABCZLROTRRM-JTQLQIEISA-N 1 0 235.335 0.909 20 30 BCEDRO COCC[N@H+](C)CCNC[C@@H](C#N)CCC#N ZINC000569837401 323042100 /nfs/dbraw/zinc/04/21/00/323042100.db2.gz PNDQIGWZAYSRJJ-GFCCVEGCSA-N 1 0 238.335 0.598 20 30 BCEDRO C=C(Cl)CN(C)CC(=O)N1CC[NH2+]CC1 ZINC000038031402 187254729 /nfs/dbraw/zinc/25/47/29/187254729.db2.gz XMPBBTIFCRQPAD-UHFFFAOYSA-N 1 0 231.727 0.103 20 30 BCEDRO N#CCN1CC[NH+](CCC2CCOCC2)CC1 ZINC000310194108 343378917 /nfs/dbraw/zinc/37/89/17/343378917.db2.gz YHZMEYLPJMITLW-UHFFFAOYSA-N 1 0 237.347 0.944 20 30 BCEDRO CO[C@H]1C[C@H](CO)[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000344151436 343363656 /nfs/dbraw/zinc/36/36/56/343363656.db2.gz VETIUVUFFIQIBJ-OLZOCXBDSA-N 1 0 249.314 0.478 20 30 BCEDRO C=C(C)CCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000335649273 136304633 /nfs/dbraw/zinc/30/46/33/136304633.db2.gz MZPUNIQUEFUTJA-PHIMTYICSA-N 1 0 223.320 0.813 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000669555152 488216151 /nfs/dbraw/zinc/21/61/51/488216151.db2.gz CCIXPIZOUJOJCX-QWRGUYRKSA-N 1 0 241.335 0.629 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000619905459 343407949 /nfs/dbraw/zinc/40/79/49/343407949.db2.gz UJUVPMBQJUTYEL-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO Cn1ccc(C[NH2+]C2CCN(CC#N)CC2)n1 ZINC000609335176 343418758 /nfs/dbraw/zinc/41/87/58/343418758.db2.gz XFAIZQPTCIARMR-UHFFFAOYSA-N 1 0 233.319 0.498 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CCN2CCCOCC2)C1 ZINC000349362268 136343102 /nfs/dbraw/zinc/34/31/02/136343102.db2.gz CPFNYNOTPPLZIN-QWHCGFSZSA-N 1 0 237.347 0.991 20 30 BCEDRO C=C(C)[C@H](CO)n1cc([C@@H]([NH3+])CC)nn1 ZINC000641083679 362205087 /nfs/dbraw/zinc/20/50/87/362205087.db2.gz DFHGMAGQSWTSTK-WPRPVWTQSA-N 1 0 210.281 0.797 20 30 BCEDRO C=C(C)[C@H](CO)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641083927 362205261 /nfs/dbraw/zinc/20/52/61/362205261.db2.gz FDYUQMNBJUYQHF-JQWIXIFHSA-N 1 0 236.319 0.540 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000102770392 136331881 /nfs/dbraw/zinc/33/18/81/136331881.db2.gz IPZUHIGDBBJZOP-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCO1 ZINC000102770390 136332076 /nfs/dbraw/zinc/33/20/76/136332076.db2.gz IPZUHIGDBBJZOP-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](NC(=O)C2(C)COC2)C1 ZINC000329312094 136364860 /nfs/dbraw/zinc/36/48/60/136364860.db2.gz CVMZZMBXDDMRBL-SNVBAGLBSA-N 1 0 242.319 0.700 20 30 BCEDRO C=CCN1CC[C@H](n2cc([C@H]([NH3+])CC)nn2)C1=O ZINC000641108086 362228380 /nfs/dbraw/zinc/22/83/80/362228380.db2.gz IIWJSBGSZQNGOQ-KOLCDFICSA-N 1 0 249.318 0.647 20 30 BCEDRO CCNC(=O)C1(CNC2=[NH+]CCN2C)CCC1 ZINC000262674630 136374766 /nfs/dbraw/zinc/37/47/66/136374766.db2.gz SRRSCPRJTPXDCL-UHFFFAOYSA-N 1 0 238.335 0.184 20 30 BCEDRO CC(C)(C#N)CCC[NH+](CCO)CCO ZINC000083642185 343493631 /nfs/dbraw/zinc/49/36/31/343493631.db2.gz BGESWVYIANJXIH-UHFFFAOYSA-N 1 0 214.309 0.603 20 30 BCEDRO COCCN(CCC#N)CCn1cccn1 ZINC000070846224 343513338 /nfs/dbraw/zinc/51/33/38/343513338.db2.gz PVJZDGXOWXSRBO-UHFFFAOYSA-N 1 0 222.292 0.745 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)c2cccnc2)CC1 ZINC000040221765 187263418 /nfs/dbraw/zinc/26/34/18/187263418.db2.gz GDQDYZDOVLLKMK-UHFFFAOYSA-N 1 0 244.298 0.799 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000491309177 259364343 /nfs/dbraw/zinc/36/43/43/259364343.db2.gz XLGVVVZBGAXNHK-VHSXEESVSA-N 1 0 209.293 0.402 20 30 BCEDRO CCC[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000379755685 343617008 /nfs/dbraw/zinc/61/70/08/343617008.db2.gz VAGSHYOIIUYPFO-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO CN1CC[N@H+](CCCC(C)(C)C#N)[C@H](CO)C1 ZINC000602904820 349818827 /nfs/dbraw/zinc/81/88/27/349818827.db2.gz OQFNRNLEBQLNDR-LBPRGKRZSA-N 1 0 239.363 0.925 20 30 BCEDRO COC[C@](C)(CO)[NH2+]CCCSCC#N ZINC000602931082 349822411 /nfs/dbraw/zinc/82/24/11/349822411.db2.gz FUTBYZINKDAVKH-JTQLQIEISA-N 1 0 232.349 0.620 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@H](C)C[NH+](C)C ZINC000379870732 343645124 /nfs/dbraw/zinc/64/51/24/343645124.db2.gz QLHUSVOOEJFFMP-VHSXEESVSA-N 1 0 211.309 0.850 20 30 BCEDRO COC[C@](C)(CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000602932637 349823083 /nfs/dbraw/zinc/82/30/83/349823083.db2.gz QTSIYTSAUJEBHJ-JQWIXIFHSA-N 1 0 244.335 0.274 20 30 BCEDRO COC[C@](C)(CO)[NH2+]CCCCC#N ZINC000602932123 349823229 /nfs/dbraw/zinc/82/32/29/349823229.db2.gz MRFJKCGHTVRESF-JTQLQIEISA-N 1 0 200.282 0.667 20 30 BCEDRO N#Cc1cc(N2CCC(CC[NH3+])CC2)ncn1 ZINC000379879361 343647460 /nfs/dbraw/zinc/64/74/60/343647460.db2.gz UDROIIKEFJTOCN-UHFFFAOYSA-N 1 0 231.303 0.913 20 30 BCEDRO CO[C@H]1C[N@H+](CC2(C#N)CC2)[C@](C)(CO)C1 ZINC000602964239 349827079 /nfs/dbraw/zinc/82/70/79/349827079.db2.gz NQUOHTPDPJBAKG-MNOVXSKESA-N 1 0 224.304 0.762 20 30 BCEDRO C[N@H+](C[C@@H]1CNC(=O)C1)[C@@H]1CCC[C@@H]1C#N ZINC000602981460 349830736 /nfs/dbraw/zinc/83/07/36/349830736.db2.gz DUEDZZUPMAGMOP-HBNTYKKESA-N 1 0 221.304 0.747 20 30 BCEDRO C=CCCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634712808 343702432 /nfs/dbraw/zinc/70/24/32/343702432.db2.gz MOCQSCYZZLUIIM-GFCCVEGCSA-N 1 0 243.347 0.835 20 30 BCEDRO C=C(C)[C@H](CO)N1CCc2nc[nH]c2C1 ZINC000625436183 343733965 /nfs/dbraw/zinc/73/39/65/343733965.db2.gz GIXGMRQNAMOANL-NSHDSACASA-N 1 0 207.277 0.705 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)CCCOC ZINC000127274721 343721824 /nfs/dbraw/zinc/72/18/24/343721824.db2.gz YNOUCBMQLQYBJQ-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)NC(=O)Cc1ccc(C#N)nc1 ZINC000602496687 343768672 /nfs/dbraw/zinc/76/86/72/343768672.db2.gz UOLOOOCAHUZCDX-IUCAKERBSA-N 1 0 232.287 0.348 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CCCNC1=O ZINC000584217745 343773111 /nfs/dbraw/zinc/77/31/11/343773111.db2.gz YZVUOFRLUQEXFI-UTUOFQBUSA-N 1 0 238.331 0.836 20 30 BCEDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000576644392 343755456 /nfs/dbraw/zinc/75/54/56/343755456.db2.gz DJQBWDOSRCUCII-CABZTGNLSA-N 1 0 217.272 0.908 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000624405368 343755939 /nfs/dbraw/zinc/75/59/39/343755939.db2.gz IWRPIOVJEGNPGE-ZJUUUORDSA-N 1 0 232.349 0.622 20 30 BCEDRO N#CCCN1CCN(Cc2cccnc2N)CC1 ZINC000603018531 349858143 /nfs/dbraw/zinc/85/81/43/349858143.db2.gz UVIXGVZYCPZETM-UHFFFAOYSA-N 1 0 245.330 0.695 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418753205 192066454 /nfs/dbraw/zinc/06/64/54/192066454.db2.gz CUWQHFPVTDZSMB-WDEREUQCSA-N 1 0 240.351 0.154 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@@H]2CN(C(C)=O)C[C@H]21 ZINC000381037892 343854591 /nfs/dbraw/zinc/85/45/91/343854591.db2.gz DCAVSZVEVRSURN-JHJVBQTASA-N 1 0 220.316 0.856 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc(C[NH2+]C2CC2)nn1 ZINC000603234548 349892643 /nfs/dbraw/zinc/89/26/43/349892643.db2.gz MCPJLWLXCYUJJL-SNVBAGLBSA-N 1 0 236.275 0.430 20 30 BCEDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000334745770 343904903 /nfs/dbraw/zinc/90/49/03/343904903.db2.gz ADVSXVVYVVYKFO-JOYOIKCWSA-N 1 0 219.288 0.852 20 30 BCEDRO CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000334808660 343908683 /nfs/dbraw/zinc/90/86/83/343908683.db2.gz RZXHMMSXZGNDJC-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO CC[N@@H+]1CC[C@@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000334808634 343908963 /nfs/dbraw/zinc/90/89/63/343908963.db2.gz RUHKYMSJRNXUTC-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO N#CCc1ccc(Cn2cc(CC[NH3+])nn2)cc1 ZINC000603222259 349897960 /nfs/dbraw/zinc/89/79/60/349897960.db2.gz IRKYYRNDZPYICQ-UHFFFAOYSA-N 1 0 241.298 0.894 20 30 BCEDRO C=CCCOCC[NH2+][C@H](C)CC(N)=O ZINC000090883841 343944059 /nfs/dbraw/zinc/94/40/59/343944059.db2.gz CVMHYOVCYSWIHE-SECBINFHSA-N 1 0 200.282 0.433 20 30 BCEDRO Cc1ccnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c1C#N ZINC000135206739 343968175 /nfs/dbraw/zinc/96/81/75/343968175.db2.gz UJCAIVUNQOCBSJ-QWRGUYRKSA-N 1 0 228.299 0.917 20 30 BCEDRO C[N@H+](CCOCCO)Cc1ccnc(C#N)c1 ZINC000306059847 343969798 /nfs/dbraw/zinc/96/97/98/343969798.db2.gz WOYNHQKPLSDUIQ-UHFFFAOYSA-N 1 0 235.287 0.394 20 30 BCEDRO C#CCSCCNC(=O)C[NH+](C)C ZINC000156116877 166201437 /nfs/dbraw/zinc/20/14/37/166201437.db2.gz QVVYFCUIRAISOU-UHFFFAOYSA-N 1 0 200.307 0.031 20 30 BCEDRO C=CC[C@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000625704480 344049138 /nfs/dbraw/zinc/04/91/38/344049138.db2.gz UJNOWJVXYNKEKS-JTQLQIEISA-N 1 0 237.303 0.436 20 30 BCEDRO N#CC1(Cn2cc(CC[NH3+])nn2)CCC1 ZINC000603257186 349901333 /nfs/dbraw/zinc/90/13/33/349901333.db2.gz SOHBCPUFRIKFRI-UHFFFAOYSA-N 1 0 205.265 0.473 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CC1(C)COC1 ZINC000625793752 344076504 /nfs/dbraw/zinc/07/65/04/344076504.db2.gz IBCKNZFFBQSETP-SNVBAGLBSA-N 1 0 226.320 0.645 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc(CC[NH+](C)C)nn1 ZINC000603238383 349904440 /nfs/dbraw/zinc/90/44/40/349904440.db2.gz WQDJBDLSNGAUIJ-SNVBAGLBSA-N 1 0 238.291 0.282 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc([C@H](C)[NH2+]C)nn1 ZINC000603238387 349903829 /nfs/dbraw/zinc/90/38/29/349903829.db2.gz WROUXNYKVVEPAU-CBAPKCEASA-N 1 0 224.264 0.459 20 30 BCEDRO COCC#CCN(C)[C@@H]1CCCCN(C)C1=O ZINC000634742243 344163136 /nfs/dbraw/zinc/16/31/36/344163136.db2.gz FGIGDLBGHOIAHA-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)CC(=O)N(C)C ZINC000129983134 344217428 /nfs/dbraw/zinc/21/74/28/344217428.db2.gz FKXHQUFENUZECM-JTQLQIEISA-N 1 0 228.361 0.809 20 30 BCEDRO C=CCN(C)C(=O)c1csc(CC[NH3+])n1 ZINC000131164824 344229347 /nfs/dbraw/zinc/22/93/47/344229347.db2.gz ZJBILGUHICXHIW-UHFFFAOYSA-N 1 0 225.317 0.902 20 30 BCEDRO CC(C)(C#N)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000588867072 344196734 /nfs/dbraw/zinc/19/67/34/344196734.db2.gz IGXZDWXECJKCQN-SNVBAGLBSA-N 1 0 239.319 0.109 20 30 BCEDRO C#CCSCC[NH2+]Cc1cncn1C ZINC000152917425 166202780 /nfs/dbraw/zinc/20/27/80/166202780.db2.gz CJJLLMOVKYHTSP-UHFFFAOYSA-N 1 0 209.318 0.876 20 30 BCEDRO COCCC[N@@H+]1CCCN(CC#N)CC1 ZINC000081085674 344261897 /nfs/dbraw/zinc/26/18/97/344261897.db2.gz MSKGUWPLSGVWQK-UHFFFAOYSA-N 1 0 211.309 0.554 20 30 BCEDRO CC(C)(CC#N)CNC[C@H](O)C[NH+]1CCCC1 ZINC000600736293 344365613 /nfs/dbraw/zinc/36/56/13/344365613.db2.gz OKXKLDULHCUYIW-LBPRGKRZSA-N 1 0 239.363 0.973 20 30 BCEDRO Cc1cc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)n(C)n1 ZINC000600740502 344366768 /nfs/dbraw/zinc/36/67/68/344366768.db2.gz IMZCUEZHFPLLOS-LBPRGKRZSA-N 1 0 248.330 0.873 20 30 BCEDRO CO[C@@H](C)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600745294 344366803 /nfs/dbraw/zinc/36/68/03/344366803.db2.gz FCWPJMXLCMIPTM-VHSXEESVSA-N 1 0 212.293 0.666 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000600740796 344366856 /nfs/dbraw/zinc/36/68/56/344366856.db2.gz BYUTZPNMQCVTFB-GHMZBOCLSA-N 1 0 224.304 0.402 20 30 BCEDRO CC(C)[C@@H](O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600741691 344367335 /nfs/dbraw/zinc/36/73/35/344367335.db2.gz HEVVHDPNDHRXMU-MNOVXSKESA-N 1 0 226.320 0.648 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600742011 344367395 /nfs/dbraw/zinc/36/73/95/344367395.db2.gz HZCYGACQNABXTO-RYUDHWBXSA-N 1 0 238.331 0.958 20 30 BCEDRO CC[C@@H](CCO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600741632 344367525 /nfs/dbraw/zinc/36/75/25/344367525.db2.gz GDYKALPTPIRKDZ-WDEREUQCSA-N 1 0 226.320 0.792 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000600712863 344361538 /nfs/dbraw/zinc/36/15/38/344361538.db2.gz BSFKETSVXLXZKU-WDEREUQCSA-N 1 0 224.304 0.810 20 30 BCEDRO CN(CC[NH2+]C[C@H](O)CC1(C#N)CC1)C1CC1 ZINC000600718727 344362547 /nfs/dbraw/zinc/36/25/47/344362547.db2.gz AHZWCVPTOZKFLL-GFCCVEGCSA-N 1 0 237.347 0.725 20 30 BCEDRO C/C=C/C[C@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600745077 344368005 /nfs/dbraw/zinc/36/80/05/344368005.db2.gz QTIYYJNVYVZZLY-FQVTYBBZSA-N 1 0 238.331 0.958 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCOC2)CC1 ZINC000600718953 344362667 /nfs/dbraw/zinc/36/26/67/344362667.db2.gz AVLHNXWAGWJYDU-MNOVXSKESA-N 1 0 224.304 0.810 20 30 BCEDRO COCCOCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600723077 344363188 /nfs/dbraw/zinc/36/31/88/344363188.db2.gz UXTFYMOAWWLLNF-LLVKDONJSA-N 1 0 242.319 0.294 20 30 BCEDRO Cc1c(C[NH2+]C[C@@H](O)CC2(C#N)CC2)cnn1C ZINC000600729556 344364004 /nfs/dbraw/zinc/36/40/04/344364004.db2.gz BEOBGOVZEGBHKH-LBPRGKRZSA-N 1 0 248.330 0.873 20 30 BCEDRO Cc1cc(C[NH2+]C[C@H](O)CC2(C#N)CC2)[nH]n1 ZINC000600729694 344364113 /nfs/dbraw/zinc/36/41/13/344364113.db2.gz ZTMPOXZLUFBNKC-LLVKDONJSA-N 1 0 234.303 0.863 20 30 BCEDRO CC[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)[C@@H](C)O ZINC000600746740 344368818 /nfs/dbraw/zinc/36/88/18/344368818.db2.gz XFSXWUFIORJUIP-MXWKQRLJSA-N 1 0 226.320 0.790 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCC[C@H]2CO)CC1 ZINC000600746418 344368824 /nfs/dbraw/zinc/36/88/24/344368824.db2.gz JIICFHDBGSSMAB-TUAOUCFPSA-N 1 0 238.331 0.792 20 30 BCEDRO CC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)[C@H](C)O ZINC000600746737 344368944 /nfs/dbraw/zinc/36/89/44/344368944.db2.gz XFSXWUFIORJUIP-DCAQKATOSA-N 1 0 226.320 0.790 20 30 BCEDRO C[N@H+](CC(=O)NCCCC#N)C1CCC1 ZINC000600819496 344379265 /nfs/dbraw/zinc/37/92/65/344379265.db2.gz WKMNAKLDQQQPNI-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO CC1(C)CN(CCNC(=O)CC#N)CCO1 ZINC000408307026 344478752 /nfs/dbraw/zinc/47/87/52/344478752.db2.gz FVDKDLIFLFDZNG-UHFFFAOYSA-N 1 0 225.292 0.127 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC(=O)NC2)s1 ZINC000135499473 344484578 /nfs/dbraw/zinc/48/45/78/344484578.db2.gz XIGIMVFKSFOCGJ-MRVPVSSYSA-N 1 0 235.312 0.988 20 30 BCEDRO N#Cc1ccc(CN2CC[C@H](CO)[C@H](O)C2)nc1 ZINC000577289956 344515486 /nfs/dbraw/zinc/51/54/86/344515486.db2.gz XVSBLBJQSKDSCU-DGCLKSJQSA-N 1 0 247.298 0.128 20 30 BCEDRO CC[NH+](CC)CCCNC(=O)[C@H](C)C#N ZINC000044811018 344549186 /nfs/dbraw/zinc/54/91/86/344549186.db2.gz OHODGCCWMGYVOY-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCCCC1 ZINC000044826083 344551467 /nfs/dbraw/zinc/55/14/67/344551467.db2.gz QMRBMLYHJGTZCG-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO CCC[C@@H]1C(=O)NCCN1CCCC#N ZINC000152445139 344566416 /nfs/dbraw/zinc/56/64/16/344566416.db2.gz LIRCDJRFEJCYNY-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C[C@H]1C[C@]1(C#N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000570913168 323074081 /nfs/dbraw/zinc/07/40/81/323074081.db2.gz LVANZGBXKCWINT-NTZNESFSSA-N 1 0 235.331 0.994 20 30 BCEDRO C=CC1CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000641423655 362407847 /nfs/dbraw/zinc/40/78/47/362407847.db2.gz DKWNWBRBQSIJGI-VIFPVBQESA-N 1 0 211.309 0.941 20 30 BCEDRO CCNC(=O)CC[N@H+](CC)C[C@@H](C)C#N ZINC000049572978 344653870 /nfs/dbraw/zinc/65/38/70/344653870.db2.gz PXHMXSWIFLLMID-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCO[C@@H](CCF)C1 ZINC000626004553 344666047 /nfs/dbraw/zinc/66/60/47/344666047.db2.gz JVNLWSKMMDTAFY-WDEREUQCSA-N 1 0 217.284 0.984 20 30 BCEDRO C[C@H](CC#N)[NH2+][C@H](C)CN1CCOCC1 ZINC000049504876 344642649 /nfs/dbraw/zinc/64/26/49/344642649.db2.gz PPRPDWQYZSTKNI-GHMZBOCLSA-N 1 0 211.309 0.599 20 30 BCEDRO CCCCC[N@H+](CCO)CC(=O)NCC#N ZINC000112411731 344643979 /nfs/dbraw/zinc/64/39/79/344643979.db2.gz MDTTYIRJGIDKAZ-UHFFFAOYSA-N 1 0 227.308 0.111 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CN1CCOC[C@H]1C#N ZINC000260246269 344751377 /nfs/dbraw/zinc/75/13/77/344751377.db2.gz WYYNSIHLHOPWGJ-GHMZBOCLSA-N 1 0 209.293 0.305 20 30 BCEDRO CNC(=[NH2+])NCC[S@](=O)Cc1ccccc1 ZINC000117106131 344739770 /nfs/dbraw/zinc/73/97/70/344739770.db2.gz USGUCBYEOKYMFA-MRXNPFEDSA-N 1 0 239.344 0.469 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)[C@@H]1CCC[NH2+]C1 ZINC000082280794 344712692 /nfs/dbraw/zinc/71/26/92/344712692.db2.gz PAIHYNGDYLTPTF-SSDOTTSWSA-N 1 0 219.248 0.219 20 30 BCEDRO C=C(C)[C@H](CO)N1CC[NH+](CCCF)CC1 ZINC000626070807 344714005 /nfs/dbraw/zinc/71/40/05/344714005.db2.gz CFSSHJIIOKBETH-LBPRGKRZSA-N 1 0 230.327 0.901 20 30 BCEDRO CC[C@@H](CO)[NH+]1CCN(CCCC#N)CC1 ZINC000075957195 344789134 /nfs/dbraw/zinc/78/91/34/344789134.db2.gz RMZTUNOYXSGBMZ-LBPRGKRZSA-N 1 0 225.336 0.679 20 30 BCEDRO C[C@@H](O)CC[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000075779437 344791989 /nfs/dbraw/zinc/79/19/89/344791989.db2.gz KZGPQWZOYGWPQF-MNOVXSKESA-N 1 0 241.335 0.450 20 30 BCEDRO CCc1cccc(NC(=O)CNC(=[NH2+])NC)c1 ZINC000076105581 344794458 /nfs/dbraw/zinc/79/44/58/344794458.db2.gz JYKNAFLGBCIQPV-UHFFFAOYSA-N 1 0 234.303 0.722 20 30 BCEDRO C=CCNC(=[NH2+])NCCCCC(=O)OC ZINC000076105363 344794491 /nfs/dbraw/zinc/79/44/91/344794491.db2.gz NLWONWYWYCJEGS-UHFFFAOYSA-N 1 0 213.281 0.420 20 30 BCEDRO COCCC[N@H+](C)CCNc1nccnc1C#N ZINC000078372801 344856181 /nfs/dbraw/zinc/85/61/81/344856181.db2.gz SVMNIHMZFITMEL-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000237573413 344856858 /nfs/dbraw/zinc/85/68/58/344856858.db2.gz ZSYDBDPGZYANTH-GXSJLCMTSA-N 1 0 226.320 0.821 20 30 BCEDRO C=C(Br)CNC(=O)C1([NH3+])CC1 ZINC000153535019 344898641 /nfs/dbraw/zinc/89/86/41/344898641.db2.gz HGXOYCFUFALILO-UHFFFAOYSA-N 1 0 219.082 0.503 20 30 BCEDRO C=CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000153557813 344904056 /nfs/dbraw/zinc/90/40/56/344904056.db2.gz HSEHQRUCRZRTLF-LBPRGKRZSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCN(C)CC(=O)NC(=O)NC(C)(C)C ZINC000121604067 344930636 /nfs/dbraw/zinc/93/06/36/344930636.db2.gz XBNLMTHKFKQIGL-UHFFFAOYSA-N 1 0 227.308 0.729 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000574572539 344916351 /nfs/dbraw/zinc/91/63/51/344916351.db2.gz YOBAGUSBXXZWNS-AWEZNQCLSA-N 1 0 233.311 0.565 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000158236050 187298631 /nfs/dbraw/zinc/29/86/31/187298631.db2.gz CIMZSYKFLQHXSN-YUMQZZPRSA-N 1 0 202.685 0.983 20 30 BCEDRO C=C(Cl)CN1CCC(NC(N)=O)CC1 ZINC000079761830 345030557 /nfs/dbraw/zinc/03/05/57/345030557.db2.gz BOYAUNREALCOSP-UHFFFAOYSA-N 1 0 217.700 0.872 20 30 BCEDRO C=CCOCCCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000125423844 345078254 /nfs/dbraw/zinc/07/82/54/345078254.db2.gz SSKZWZPSPVDRMV-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO CC#CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000155403673 345079290 /nfs/dbraw/zinc/07/92/90/345079290.db2.gz LCGOZLXKHVCAOG-QWRGUYRKSA-N 1 0 208.305 0.986 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCc1ccco1 ZINC000079954916 345063954 /nfs/dbraw/zinc/06/39/54/345063954.db2.gz CWNVTXJBTXMIPH-LBPRGKRZSA-N 1 0 232.283 0.993 20 30 BCEDRO CC(C)[C@H](C(=O)N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC000155995364 345117866 /nfs/dbraw/zinc/11/78/66/345117866.db2.gz MVWAPMKOMGIMSS-WDEREUQCSA-N 1 0 239.319 0.324 20 30 BCEDRO CC#CCCN1C[C@H](OC)C[C@@H]1C(=O)OC ZINC000155678223 345095027 /nfs/dbraw/zinc/09/50/27/345095027.db2.gz FBNCNJPWJXFGMF-GHMZBOCLSA-N 1 0 225.288 0.662 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000155890238 345112708 /nfs/dbraw/zinc/11/27/08/345112708.db2.gz YMWLXDLKTMCIHZ-SECBINFHSA-N 1 0 218.322 0.186 20 30 BCEDRO CC[C@H]1CN(C(=O)CC#N)CC[N@@H+]1C[C@H](C)O ZINC000408320232 345145667 /nfs/dbraw/zinc/14/56/67/345145667.db2.gz NTXDAHZJCRESPL-QWRGUYRKSA-N 1 0 239.319 0.204 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634975093 345149868 /nfs/dbraw/zinc/14/98/68/345149868.db2.gz RBPMBUJYTHAWCW-GHMZBOCLSA-N 1 0 226.320 0.429 20 30 BCEDRO CC(C)[C@](C)(C#N)NC(=O)Cn1ccnc1C[NH3+] ZINC000600965997 345251038 /nfs/dbraw/zinc/25/10/38/345251038.db2.gz DMJUQSMHKGZLPL-LBPRGKRZSA-N 1 0 249.318 0.396 20 30 BCEDRO CN(CC#N)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080611101 345355859 /nfs/dbraw/zinc/35/58/59/345355859.db2.gz DAEFDHVIFYOYJC-WDEREUQCSA-N 1 0 221.304 0.843 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N(CC#N)CC#N ZINC000299656663 534994256 /nfs/dbraw/zinc/99/42/56/534994256.db2.gz KMEHMSJYLIUHHD-UHFFFAOYSA-N 1 0 208.265 0.202 20 30 BCEDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000381335729 345380153 /nfs/dbraw/zinc/38/01/53/345380153.db2.gz VPTSXJQUDWZCFA-UWVGGRQHSA-N 1 0 221.304 0.794 20 30 BCEDRO N#CCCCn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000600967460 345380236 /nfs/dbraw/zinc/38/02/36/345380236.db2.gz HDFAAYOVYKNANW-SNVBAGLBSA-N 1 0 219.292 0.734 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000134388951 345411675 /nfs/dbraw/zinc/41/16/75/345411675.db2.gz JXHOGTMCTNKEFG-JTQLQIEISA-N 1 0 228.336 0.627 20 30 BCEDRO C[C@@H](O)C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000159391843 345422794 /nfs/dbraw/zinc/42/27/94/345422794.db2.gz PIOPTFFZRZSARU-ZJUUUORDSA-N 1 0 227.308 0.060 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCCNC2=O)C1 ZINC000331688367 345438350 /nfs/dbraw/zinc/43/83/50/345438350.db2.gz WLYKFZVRSPJWCE-OUAUKWLOSA-N 1 0 221.304 0.937 20 30 BCEDRO C[C@H]([NH3+])CNS(=O)(=O)c1ccccc1C#N ZINC000082574950 345439237 /nfs/dbraw/zinc/43/92/37/345439237.db2.gz ZSRFUUVLACFNHA-QMMMGPOBSA-N 1 0 239.300 0.184 20 30 BCEDRO CC[NH+]=C(NCc1cnn(C)c1)N[C@@H]1C[C@@H]1C ZINC000081820128 345493500 /nfs/dbraw/zinc/49/35/00/345493500.db2.gz TWDIZHVTVCBPFI-GXSJLCMTSA-N 1 0 235.335 0.884 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000635531628 345465960 /nfs/dbraw/zinc/46/59/60/345465960.db2.gz UZTQDHKNJFRRHR-LLVKDONJSA-N 1 0 239.363 0.703 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[NH+](C2CCC2)CC1 ZINC000378693775 345474754 /nfs/dbraw/zinc/47/47/54/345474754.db2.gz BSPWBCVDYMAQKN-LBPRGKRZSA-N 1 0 238.331 0.884 20 30 BCEDRO CSCCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000070197067 345481076 /nfs/dbraw/zinc/48/10/76/345481076.db2.gz TUGUPSPYFIOHJQ-UHFFFAOYSA-N 1 0 241.360 0.844 20 30 BCEDRO N#Cc1cc(C[N@H+]2CCC[C@H]2CO)ccn1 ZINC000082669201 345664608 /nfs/dbraw/zinc/66/46/08/345664608.db2.gz GRPNWAMMJXRNHT-LBPRGKRZSA-N 1 0 217.272 0.910 20 30 BCEDRO CCc1nn(C)c(OC)c1CNC(=[NH2+])NC ZINC000092848860 345644751 /nfs/dbraw/zinc/64/47/51/345644751.db2.gz JRKRDWJSUGKUFA-UHFFFAOYSA-N 1 0 225.296 0.025 20 30 BCEDRO CC1(C)CN(C(=O)CC2(C#N)CC2)CC[NH2+]1 ZINC000378861734 345691013 /nfs/dbraw/zinc/69/10/13/345691013.db2.gz ROMIEWHJONWELO-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO N#Cc1cc(C[N@H+]2CC[C@@H](CC(N)=O)C2)ccn1 ZINC000588977901 345836907 /nfs/dbraw/zinc/83/69/07/345836907.db2.gz WVIQLXAYURCRBV-NSHDSACASA-N 1 0 244.298 0.651 20 30 BCEDRO N#Cc1cccc(NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000252411559 345897125 /nfs/dbraw/zinc/89/71/25/345897125.db2.gz MZQQXGGLXYNCOQ-GDNZZTSVSA-N 1 0 242.282 0.898 20 30 BCEDRO C=CCOCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635783929 346068690 /nfs/dbraw/zinc/06/86/90/346068690.db2.gz NBERACMLLOLMSB-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C[N@H+](CC(=O)NCC#CCO)CC(C)(C)C ZINC000635900669 346106574 /nfs/dbraw/zinc/10/65/74/346106574.db2.gz QDGNDVGEXFFFHG-UHFFFAOYSA-N 1 0 226.320 0.076 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000636005078 346147752 /nfs/dbraw/zinc/14/77/52/346147752.db2.gz BEZCOZVPXGJWRM-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000636006188 346148042 /nfs/dbraw/zinc/14/80/42/346148042.db2.gz WKCVCTXBWKZPCM-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCCCNC(=O)C(=O)NC[C@H](C)C[NH2+]C ZINC000419069781 192099196 /nfs/dbraw/zinc/09/91/96/192099196.db2.gz UVQGNEIYPKKWDZ-SNVBAGLBSA-N 1 0 241.335 0.041 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccncc1N ZINC000641746050 362672552 /nfs/dbraw/zinc/67/25/52/362672552.db2.gz LKTKPEXGDSVAFS-SNVBAGLBSA-N 1 0 221.304 0.938 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)N1CC([NH+](C)C)C1 ZINC000336337253 346282284 /nfs/dbraw/zinc/28/22/84/346282284.db2.gz MUDLJYKYZSBPNO-NSHDSACASA-N 1 0 209.293 0.699 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1c(C)nnn1CC ZINC000641752320 362676969 /nfs/dbraw/zinc/67/69/69/362676969.db2.gz BFERDCFOQMSAKK-SNVBAGLBSA-N 1 0 224.308 0.633 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1c(C)nnn1CC ZINC000641752319 362677738 /nfs/dbraw/zinc/67/77/38/362677738.db2.gz BFERDCFOQMSAKK-JTQLQIEISA-N 1 0 224.308 0.633 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)[NH+](C)C ZINC000636056305 346303129 /nfs/dbraw/zinc/30/31/29/346303129.db2.gz LLXGCOJWQWKWGA-VWYCJHECSA-N 1 0 226.320 0.644 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636102394 346319978 /nfs/dbraw/zinc/31/99/78/346319978.db2.gz VORUTOFJYTUPNH-OUAUKWLOSA-N 1 0 224.304 0.276 20 30 BCEDRO Cn1cncc1CCNC(=O)C1(C#N)CCC1 ZINC000401751735 323119348 /nfs/dbraw/zinc/11/93/48/323119348.db2.gz OIERDYKOXIEIJV-UHFFFAOYSA-N 1 0 232.287 0.773 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1c(C)n[nH]c1C ZINC000641768930 362708498 /nfs/dbraw/zinc/70/84/98/362708498.db2.gz MAJBDCWVZBABKX-NSHDSACASA-N 1 0 221.304 0.890 20 30 BCEDRO C=CCCC[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000270846748 166234109 /nfs/dbraw/zinc/23/41/09/166234109.db2.gz GYZHMILCDJGSDT-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000636228447 346361902 /nfs/dbraw/zinc/36/19/02/346361902.db2.gz DNPFTUZBXSKJBQ-ZYHUDNBSSA-N 1 0 238.331 0.666 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000636228446 346362055 /nfs/dbraw/zinc/36/20/55/346362055.db2.gz DNPFTUZBXSKJBQ-PWSUYJOCSA-N 1 0 238.331 0.666 20 30 BCEDRO C=CCCC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000163766266 166236445 /nfs/dbraw/zinc/23/64/45/166236445.db2.gz MWBVIJMVSRPZNI-VHSXEESVSA-N 1 0 213.277 0.561 20 30 BCEDRO C[N@H+](CCNC(=O)[C@@]1(O)CCSC1)C1CC1 ZINC000328963948 537975495 /nfs/dbraw/zinc/97/54/95/537975495.db2.gz LPMTXGGTKIGEDF-LLVKDONJSA-N 1 0 244.360 0.905 20 30 BCEDRO C[NH2+]C(C)(C)CNc1ccnc(C#N)n1 ZINC000563428564 323125093 /nfs/dbraw/zinc/12/50/93/323125093.db2.gz XSEYKFCFGOZJRA-UHFFFAOYSA-N 1 0 205.265 0.180 20 30 BCEDRO CC#CC[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626167018 346453937 /nfs/dbraw/zinc/45/39/37/346453937.db2.gz LNKZPBDDPKKGGI-NSHDSACASA-N 1 0 244.360 0.271 20 30 BCEDRO C[C@H](CNC(=O)CC1(C#N)CC1)C[NH+](C)C ZINC000590416140 347095992 /nfs/dbraw/zinc/09/59/92/347095992.db2.gz YIVCTJVLTLMRRL-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@@H](C[NH3+])N(C)S(=O)(=O)c1ccc(C#N)o1 ZINC000563445515 323126914 /nfs/dbraw/zinc/12/69/14/323126914.db2.gz FRHBIZNRHHUWOU-ZETCQYMHSA-N 1 0 243.288 0.119 20 30 BCEDRO CN1CC[C@](O)(C[NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000309553804 347099676 /nfs/dbraw/zinc/09/96/76/347099676.db2.gz JBFHXLYYSRFDEK-WOPDTQHZSA-N 1 0 223.320 0.335 20 30 BCEDRO CC#CCNC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000641815091 362769142 /nfs/dbraw/zinc/76/91/42/362769142.db2.gz AGZHSURHGZVJBP-UHFFFAOYSA-N 1 0 223.320 0.745 20 30 BCEDRO COC[C@H](C)C[NH+]1CCN(CC#N)CC1 ZINC000187144047 346555675 /nfs/dbraw/zinc/55/56/75/346555675.db2.gz SYPHQNQRWRBXHK-LLVKDONJSA-N 1 0 211.309 0.410 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)C[C@H]1CCC[N@@H+]1C ZINC000301052031 346575071 /nfs/dbraw/zinc/57/50/71/346575071.db2.gz VJQPJOVJUWXRDZ-GHMZBOCLSA-N 1 0 226.320 0.740 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3ncncc3C#N)C[C@@H]21 ZINC000580187957 346636132 /nfs/dbraw/zinc/63/61/32/346636132.db2.gz AOQLJQPFNMMNEP-KOLCDFICSA-N 1 0 229.287 0.489 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2cc(O)cc(C#N)c2)C1 ZINC000589195980 346672611 /nfs/dbraw/zinc/67/26/11/346672611.db2.gz RMEPXLGMVSZYPB-UHFFFAOYSA-N 1 0 245.282 0.650 20 30 BCEDRO C[C@@H]([NH3+])[C@H](C)NC(=O)COc1ccc(C#N)cc1 ZINC000580655379 365850854 /nfs/dbraw/zinc/85/08/54/365850854.db2.gz UWBCJULRRUDEOY-ZJUUUORDSA-N 1 0 247.298 0.789 20 30 BCEDRO CCc1nc(C#N)cc(N2CC[NH2+]CC2)n1 ZINC000308242057 346765111 /nfs/dbraw/zinc/76/51/11/346765111.db2.gz LMSROFHSUHKJMG-UHFFFAOYSA-N 1 0 217.276 0.320 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC000590043511 346766401 /nfs/dbraw/zinc/76/64/01/346766401.db2.gz BDCXCJKOTDUUJM-NXEZZACHSA-N 1 0 239.344 0.406 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000590046998 346767359 /nfs/dbraw/zinc/76/73/59/346767359.db2.gz RVCSPOILAQYRKV-JOYOIKCWSA-N 1 0 244.298 0.662 20 30 BCEDRO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H](C)[NH2+]1 ZINC000401522110 346772013 /nfs/dbraw/zinc/77/20/13/346772013.db2.gz RGQSEBQMTXNIKG-DTORHVGOSA-N 1 0 217.276 0.535 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000589822790 346739582 /nfs/dbraw/zinc/73/95/82/346739582.db2.gz TZBOBKYUMQWEKO-QWHCGFSZSA-N 1 0 239.363 0.925 20 30 BCEDRO N#Cc1cncc(N2CCC(C[NH3+])CC2)n1 ZINC000401496047 346741105 /nfs/dbraw/zinc/74/11/05/346741105.db2.gz DGUYKUCABJGSNH-UHFFFAOYSA-N 1 0 217.276 0.523 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)C(=O)N(C)CCC[NH3+] ZINC000580661017 365856759 /nfs/dbraw/zinc/85/67/59/365856759.db2.gz ZYXQJQKONOFGLE-SNVBAGLBSA-N 1 0 241.335 0.265 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@H]2C1 ZINC000589941368 346754288 /nfs/dbraw/zinc/75/42/88/346754288.db2.gz DVWYBSBICIIUNE-SKDRFNHKSA-N 1 0 244.298 0.662 20 30 BCEDRO C[C@@H]1C[C@@H](Nc2cncc(C#N)n2)CC[NH2+]1 ZINC000401536676 346782440 /nfs/dbraw/zinc/78/24/40/346782440.db2.gz YEGRNGMLMYJUEG-BDAKNGLRSA-N 1 0 217.276 0.901 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(CCOCCC#N)[C@H]2C1 ZINC000590183969 346788555 /nfs/dbraw/zinc/78/85/55/346788555.db2.gz LDBYMAXBZUOAEY-NEPJUHHUSA-N 1 0 223.320 0.553 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000580260685 346804043 /nfs/dbraw/zinc/80/40/43/346804043.db2.gz VBPWALLRHZSRNT-UHFFFAOYSA-N 1 0 207.277 0.620 20 30 BCEDRO Cc1ccc2c(c1)nc(CNC(N)=[NH2+])n2C ZINC000183888497 347141309 /nfs/dbraw/zinc/14/13/09/347141309.db2.gz RXKVNONVODWQMZ-UHFFFAOYSA-N 1 0 217.276 0.655 20 30 BCEDRO CN/C(=[NH+]/C)N1CCC(C(=O)OC)CC1 ZINC000073626365 133648473 /nfs/dbraw/zinc/64/84/73/133648473.db2.gz JFGNHRBNDXXZGZ-UHFFFAOYSA-N 1 0 213.281 0.077 20 30 BCEDRO CS(=O)(=O)NCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309864677 347190050 /nfs/dbraw/zinc/19/00/50/347190050.db2.gz OABVRQOCFYDTFA-NXEZZACHSA-N 1 0 245.348 0.208 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H]2CCCC[C@@H]21 ZINC000108857899 347208997 /nfs/dbraw/zinc/20/89/97/347208997.db2.gz MHKTULLLTYQHBD-QWRGUYRKSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CC[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000363912128 347174896 /nfs/dbraw/zinc/17/48/96/347174896.db2.gz WRCAFWHSFWTXFC-VIFPVBQESA-N 1 0 236.275 0.498 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000309826728 347177396 /nfs/dbraw/zinc/17/73/96/347177396.db2.gz XLTHFBMTXSJECR-JTQLQIEISA-N 1 0 226.320 0.836 20 30 BCEDRO [NH2+]=C(NCC(F)(F)CO)Nc1ccccn1 ZINC000184823333 347180201 /nfs/dbraw/zinc/18/02/01/347180201.db2.gz LECKMMYADILZOR-UHFFFAOYSA-N 1 0 230.218 0.436 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)c2cc[nH]c2)CC1 ZINC000609459993 347187337 /nfs/dbraw/zinc/18/73/37/347187337.db2.gz IFKFJUCNTOZZPX-UHFFFAOYSA-N 1 0 232.287 0.732 20 30 BCEDRO CN(C[C@H]1CCC[N@@H+]1C)c1cnc(C#N)cn1 ZINC000092631043 347214557 /nfs/dbraw/zinc/21/45/57/347214557.db2.gz GIRMYJHAAWXHIY-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000186007529 347222148 /nfs/dbraw/zinc/22/21/48/347222148.db2.gz HOBIXXBOUBNMAD-NXEZZACHSA-N 1 0 223.320 0.790 20 30 BCEDRO CN1CC[C@H]([N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000397600232 347229884 /nfs/dbraw/zinc/22/98/84/347229884.db2.gz LQHASOFCEMALGT-MNOVXSKESA-N 1 0 221.304 0.843 20 30 BCEDRO C=C(C)C[N@H+]1CCCN(CC(=O)NC)CC1 ZINC000364025152 347239561 /nfs/dbraw/zinc/23/95/61/347239561.db2.gz HWMRGUYAXMJEMX-UHFFFAOYSA-N 1 0 225.336 0.316 20 30 BCEDRO N#Cc1nccc(NCC[NH+]2CCSCC2)n1 ZINC000310497727 347289610 /nfs/dbraw/zinc/28/96/10/347289610.db2.gz HETFFVDVLYGXLN-UHFFFAOYSA-N 1 0 249.343 0.809 20 30 BCEDRO C[NH+](C)CCCS(=O)(=O)NCC(C)(C)C#N ZINC000601390818 347302170 /nfs/dbraw/zinc/30/21/70/347302170.db2.gz JALKKSGIKKTDBX-UHFFFAOYSA-N 1 0 247.364 0.407 20 30 BCEDRO C[C@H](CNC(=O)c1ccc(C#N)cn1)C[NH+](C)C ZINC000310817178 347309012 /nfs/dbraw/zinc/30/90/12/347309012.db2.gz GVFLUXUYNIUTCW-SNVBAGLBSA-N 1 0 246.314 0.881 20 30 BCEDRO C[N@H+](CC(=O)N1CC(C#N)C1)[C@H]1CCSC1 ZINC000590486021 347376244 /nfs/dbraw/zinc/37/62/44/347376244.db2.gz ARBBQCWYSHXSSP-JTQLQIEISA-N 1 0 239.344 0.406 20 30 BCEDRO C[NH+](C)Cc1ccc(C(=O)N2CC(C#N)C2)cn1 ZINC000590486233 347376944 /nfs/dbraw/zinc/37/69/44/347376944.db2.gz VVTCBLAQYZCSEF-UHFFFAOYSA-N 1 0 244.298 0.739 20 30 BCEDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N1CC(C#N)C1 ZINC000590488958 347383713 /nfs/dbraw/zinc/38/37/13/347383713.db2.gz YQFCPLHBBSWFFM-UWVGGRQHSA-N 1 0 221.304 0.841 20 30 BCEDRO CCN([C@H](C)C#N)S(=O)(=O)CCC[NH+](C)C ZINC000601468182 347391699 /nfs/dbraw/zinc/39/16/99/347391699.db2.gz KKLKCVFSHYXPLD-SNVBAGLBSA-N 1 0 247.364 0.502 20 30 BCEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1C(=O)CSCC#N ZINC000590566163 347469537 /nfs/dbraw/zinc/46/95/37/347469537.db2.gz FWAANPPWLSYSKK-NXEZZACHSA-N 1 0 241.360 0.794 20 30 BCEDRO CCC[N@@H+]1CC[C@H](CNc2ccnc(C#N)n2)C1 ZINC000590573941 347474419 /nfs/dbraw/zinc/47/44/19/347474419.db2.gz KOWQPHQVCBFLTR-LLVKDONJSA-N 1 0 245.330 0.914 20 30 BCEDRO COCC#CCN1CC[S@@](=O)C(C)(C)CC1 ZINC000590760515 347523285 /nfs/dbraw/zinc/52/32/85/347523285.db2.gz QISBAADXMLIPTP-MRXNPFEDSA-N 1 0 243.372 0.869 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000491072753 362847400 /nfs/dbraw/zinc/84/74/00/362847400.db2.gz VOKONJAUQJEQDY-LLVKDONJSA-N 1 0 237.347 0.150 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000617004853 347575786 /nfs/dbraw/zinc/57/57/86/347575786.db2.gz ZGKDVIROBQBBFM-GXFFZTMASA-N 1 0 240.347 0.912 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000338563783 166265465 /nfs/dbraw/zinc/26/54/65/166265465.db2.gz BSPSCCPPHWNNOH-NSHDSACASA-N 1 0 246.376 0.965 20 30 BCEDRO N#CCCCNc1ncnc2c1OCCN2 ZINC000591155243 347626597 /nfs/dbraw/zinc/62/65/97/347626597.db2.gz YTYFLHCGOSUBTR-UHFFFAOYSA-N 1 0 219.248 0.109 20 30 BCEDRO C[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1CC1 ZINC000591240791 347632905 /nfs/dbraw/zinc/63/29/05/347632905.db2.gz ACFQMFKHQIHWOL-YPMHNXCESA-N 1 0 239.363 0.828 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CC1(C)C ZINC000591240800 347633219 /nfs/dbraw/zinc/63/32/19/347633219.db2.gz CBDKMHUPHYPYQU-QWRGUYRKSA-N 1 0 225.336 0.581 20 30 BCEDRO N#C[C@]1(F)CCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000591359133 347645427 /nfs/dbraw/zinc/64/54/27/347645427.db2.gz QAHAYAIVTHMNLE-LLVKDONJSA-N 1 0 240.282 0.386 20 30 BCEDRO CCC[NH2+]CCNC(=O)N1CC[C@](F)(C#N)C1 ZINC000591359956 347645504 /nfs/dbraw/zinc/64/55/04/347645504.db2.gz IVVMTJBFDTZKNM-NSHDSACASA-N 1 0 242.298 0.633 20 30 BCEDRO C=CCC[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000338541810 166266604 /nfs/dbraw/zinc/26/66/04/166266604.db2.gz VWSLYPLWDUIGLT-CHWSQXEVSA-N 1 0 243.347 0.908 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3cncc(C#N)n3)C[C@@H]21 ZINC000591947692 347717783 /nfs/dbraw/zinc/71/77/83/347717783.db2.gz SSHSTZFKSFPLEE-KOLCDFICSA-N 1 0 229.287 0.489 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1c1cncc(C#N)n1 ZINC000577273351 365911828 /nfs/dbraw/zinc/91/18/28/365911828.db2.gz XRNKVARLTXWWKI-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO CC1(C)C[NH2+][C@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000591687968 347689630 /nfs/dbraw/zinc/68/96/30/347689630.db2.gz WGQVMIBUAFHXJA-AEJSXWLSSA-N 1 0 221.304 0.793 20 30 BCEDRO CSC[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759672 347692604 /nfs/dbraw/zinc/69/26/04/347692604.db2.gz SWQNPQUQVPUAFZ-MRVPVSSYSA-N 1 0 202.323 0.850 20 30 BCEDRO COCCOC[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759682 347692661 /nfs/dbraw/zinc/69/26/61/347692661.db2.gz TXLSBSLRSZQHTH-JTQLQIEISA-N 1 0 230.308 0.150 20 30 BCEDRO CC(C)[C@H](C#N)N1CC[NH+](CC[C@@H](C)O)CC1 ZINC000591845736 347706337 /nfs/dbraw/zinc/70/63/37/347706337.db2.gz SNOMPFRBYOVCHI-OLZOCXBDSA-N 1 0 239.363 0.923 20 30 BCEDRO C=CCCOCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000534577548 323153795 /nfs/dbraw/zinc/15/37/95/323153795.db2.gz UMFZJMXQDPBIJO-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO COc1ncncc1C[NH2+]CCCC#N ZINC000592367522 347775455 /nfs/dbraw/zinc/77/54/55/347775455.db2.gz QVKSUBFBFVJKSU-UHFFFAOYSA-N 1 0 206.249 0.879 20 30 BCEDRO N#Cc1cnccc1CN(CCO)CCCO ZINC000592070883 347727654 /nfs/dbraw/zinc/72/76/54/347727654.db2.gz SWTQJTQBLKSLOO-UHFFFAOYSA-N 1 0 235.287 0.130 20 30 BCEDRO N#Cc1cnccc1CN1CC[C@@H](NC(N)=O)C1 ZINC000592086318 347730697 /nfs/dbraw/zinc/73/06/97/347730697.db2.gz NBKQDOKPTKLQFP-LLVKDONJSA-N 1 0 245.286 0.196 20 30 BCEDRO N#Cc1cnccc1CN1CC[C@H](NC(N)=O)C1 ZINC000592086322 347731016 /nfs/dbraw/zinc/73/10/16/347731016.db2.gz NBKQDOKPTKLQFP-NSHDSACASA-N 1 0 245.286 0.196 20 30 BCEDRO N#CC[C@]1(O)CCN(Cc2cscn2)C1 ZINC000592147376 347740119 /nfs/dbraw/zinc/74/01/19/347740119.db2.gz KRADYLYFSAWFJN-JTQLQIEISA-N 1 0 223.301 0.994 20 30 BCEDRO CCOC(=O)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592148296 347740519 /nfs/dbraw/zinc/74/05/19/347740519.db2.gz TZMQQSPKEIVBPL-LLVKDONJSA-N 1 0 226.276 0.290 20 30 BCEDRO N#CC[C@@]1(O)CCN(Cc2cccnc2N)C1 ZINC000592150166 347740720 /nfs/dbraw/zinc/74/07/20/347740720.db2.gz BKLYKBPPSKPKID-GFCCVEGCSA-N 1 0 232.287 0.514 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CCN1CC[C@](O)(CC#N)C1 ZINC000592150148 347740882 /nfs/dbraw/zinc/74/08/82/347740882.db2.gz AFNZKWMGYCQPPO-CHWSQXEVSA-N 1 0 237.347 0.821 20 30 BCEDRO CC(C)(O)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151123 347742731 /nfs/dbraw/zinc/74/27/31/347742731.db2.gz MEMPKLRMBYHYSH-LLVKDONJSA-N 1 0 212.293 0.498 20 30 BCEDRO CCC[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592154137 347744494 /nfs/dbraw/zinc/74/44/94/347744494.db2.gz PPHMCTFSMCNVKK-WDEREUQCSA-N 1 0 212.293 0.498 20 30 BCEDRO CC(C)(C)[C@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592155053 347745569 /nfs/dbraw/zinc/74/55/69/347745569.db2.gz WYINTNOMPRFEDR-PWSUYJOCSA-N 1 0 226.320 0.744 20 30 BCEDRO N#Cc1ncc(OC[C@@H]2CC[NH2+]C2)cn1 ZINC000592171286 347746903 /nfs/dbraw/zinc/74/69/03/347746903.db2.gz WEGPOYDCHNUHHT-MRVPVSSYSA-N 1 0 204.233 0.337 20 30 BCEDRO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@H](C)CCC#N)C1 ZINC000592203929 347755410 /nfs/dbraw/zinc/75/54/10/347755410.db2.gz HZCBEZBXVDOKNJ-GMTAPVOTSA-N 1 0 240.303 0.534 20 30 BCEDRO C=C(C)CC[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592207014 347757313 /nfs/dbraw/zinc/75/73/13/347757313.db2.gz NUAKMDCZDHRRJF-WDEREUQCSA-N 1 0 227.304 0.808 20 30 BCEDRO C=C(C)CC[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592207011 347757762 /nfs/dbraw/zinc/75/77/62/347757762.db2.gz NUAKMDCZDHRRJF-GHMZBOCLSA-N 1 0 227.304 0.808 20 30 BCEDRO COC(=O)[C@@H]1C[C@H](O)C[N@H+](CCCC#N)C1 ZINC000592207042 347757910 /nfs/dbraw/zinc/75/79/10/347757910.db2.gz OBNWOQAMMLMBAG-ZJUUUORDSA-N 1 0 226.276 0.146 20 30 BCEDRO CN(Cc1ccncc1C#N)C1CC([NH3+])C1 ZINC000592492147 347787901 /nfs/dbraw/zinc/78/79/01/347787901.db2.gz RYUYPBAWWXUULI-UHFFFAOYSA-N 1 0 216.288 0.875 20 30 BCEDRO C[NH2+][C@@H]1CCN(Cc2ccncc2C#N)C1 ZINC000592470761 347789297 /nfs/dbraw/zinc/78/92/97/347789297.db2.gz ORBSKIDVKPMUOQ-GFCCVEGCSA-N 1 0 216.288 0.747 20 30 BCEDRO CN(Cc1ccncc1C#N)[C@@H]1CC[NH2+]C1 ZINC000592472594 347790706 /nfs/dbraw/zinc/79/07/06/347790706.db2.gz BZJQTSJXUICORM-GFCCVEGCSA-N 1 0 216.288 0.747 20 30 BCEDRO C=CCNC(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592476653 347791394 /nfs/dbraw/zinc/79/13/94/347791394.db2.gz OJJOSTXBJUFGIM-VIFPVBQESA-N 1 0 234.303 0.635 20 30 BCEDRO N#CC[C@@]1(O)CCN(Cc2cc3n(n2)CCC3)C1 ZINC000593034467 347842416 /nfs/dbraw/zinc/84/24/16/347842416.db2.gz IJCYAPNHQRJMEP-CYBMUJFWSA-N 1 0 246.314 0.680 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000593028343 347847168 /nfs/dbraw/zinc/84/71/68/347847168.db2.gz BEUUHLZKZYJBAR-CMPLNLGQSA-N 1 0 221.304 0.891 20 30 BCEDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCCSCC#N ZINC000593062065 347848701 /nfs/dbraw/zinc/84/87/01/347848701.db2.gz WZOVTVMHHYQNRV-WDEREUQCSA-N 1 0 244.360 0.715 20 30 BCEDRO COC[C@@H]1C[C@@H](O)C[N@@H+]1CCCCC#N ZINC000593061541 347848812 /nfs/dbraw/zinc/84/88/12/347848812.db2.gz ROUZRQKCCFSBTD-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO N#CCNC(=O)C[NH2+]C1(C2CCC2)CC1 ZINC000593080972 347851611 /nfs/dbraw/zinc/85/16/11/347851611.db2.gz OEVCDXLLLROVIR-UHFFFAOYSA-N 1 0 207.277 0.548 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593098793 347856206 /nfs/dbraw/zinc/85/62/06/347856206.db2.gz DPANASHPZPBOIG-PKFCDNJMSA-N 1 0 215.318 0.394 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000237411926 166275799 /nfs/dbraw/zinc/27/57/99/166275799.db2.gz ZSYDBDPGZYANTH-MWLCHTKSSA-N 1 0 226.320 0.821 20 30 BCEDRO CC[N@H+](CC(=O)NCC#N)[C@H](C)C(C)C ZINC000066664809 347860332 /nfs/dbraw/zinc/86/03/32/347860332.db2.gz SCONGLVOWRWMHM-SNVBAGLBSA-N 1 0 211.309 0.993 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](CCOC)C1 ZINC000593457698 347898984 /nfs/dbraw/zinc/89/89/84/347898984.db2.gz IEFDUJZNWZDGHJ-GHMZBOCLSA-N 1 0 239.319 0.373 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000593467951 347900332 /nfs/dbraw/zinc/90/03/32/347900332.db2.gz PQLMZZURMACCTA-QWRGUYRKSA-N 1 0 223.320 0.946 20 30 BCEDRO N#Cc1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cc1 ZINC000593509029 347901625 /nfs/dbraw/zinc/90/16/25/347901625.db2.gz YNOKUGLECZCZOY-CQSZACIVSA-N 1 0 243.310 0.813 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000593717001 347936074 /nfs/dbraw/zinc/93/60/74/347936074.db2.gz SONXLGXJNJMMQH-JTQLQIEISA-N 1 0 238.335 0.916 20 30 BCEDRO N#Cc1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)cn1 ZINC000593504560 347907767 /nfs/dbraw/zinc/90/77/67/347907767.db2.gz PYYYSWDEYIWLPQ-CYBMUJFWSA-N 1 0 244.298 0.208 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000593664530 347923980 /nfs/dbraw/zinc/92/39/80/347923980.db2.gz RZMAZIHKNGQWMC-GARJFASQSA-N 1 0 221.304 0.556 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000593670092 347924863 /nfs/dbraw/zinc/92/48/63/347924863.db2.gz JJRXMFPUTPLBQO-IMSYWVGJSA-N 1 0 207.277 0.532 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@@]2(O)CCOC2)C1 ZINC000593670902 347925204 /nfs/dbraw/zinc/92/52/04/347925204.db2.gz MADLQUNSBVIZRK-GRYCIOLGSA-N 1 0 224.304 0.810 20 30 BCEDRO N#CC1(C(=O)NC2CC[NH2+]CC2)CCCC1 ZINC000593899520 347966527 /nfs/dbraw/zinc/96/65/27/347966527.db2.gz AJXCJHNKTLEVJD-UHFFFAOYSA-N 1 0 221.304 0.939 20 30 BCEDRO Cc1nc(C(=O)N(C)[C@@H](C)C[NH3+])ccc1C#N ZINC000593903086 347967311 /nfs/dbraw/zinc/96/73/11/347967311.db2.gz NUSDEJJCIQZSGW-QMMMGPOBSA-N 1 0 232.287 0.681 20 30 BCEDRO Cc1nc(C(=O)N2CCC[C@H]2C[NH3+])ccc1C#N ZINC000593903214 347967507 /nfs/dbraw/zinc/96/75/07/347967507.db2.gz SAKBDXAAPDYMRE-NSHDSACASA-N 1 0 244.298 0.825 20 30 BCEDRO N#Cc1ccc(OCC(=O)NCC2C[NH2+]C2)cc1 ZINC000593905635 347968501 /nfs/dbraw/zinc/96/85/01/347968501.db2.gz INHXDPUSHQIYTC-UHFFFAOYSA-N 1 0 245.282 0.273 20 30 BCEDRO C[C@@H]1[C@H](O)CC[N@@H+]1Cc1ccc(C#N)cn1 ZINC000594004599 347983862 /nfs/dbraw/zinc/98/38/62/347983862.db2.gz MKHATOXJXUOEJN-BXKDBHETSA-N 1 0 217.272 0.908 20 30 BCEDRO N#CC1(CC[NH2+]C(CO)CO)CCCCC1 ZINC000594002515 347983282 /nfs/dbraw/zinc/98/32/82/347983282.db2.gz XVYSJCYQYSUVDW-UHFFFAOYSA-N 1 0 226.320 0.793 20 30 BCEDRO C[C@H](CC#N)NC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594525687 348069480 /nfs/dbraw/zinc/06/94/80/348069480.db2.gz SYFGNBFKZPPYOV-PHDIDXHHSA-N 1 0 238.213 0.477 20 30 BCEDRO N#CCCCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594525378 348069945 /nfs/dbraw/zinc/06/99/45/348069945.db2.gz QIWNPISKGIEDFD-ZCFIWIBFSA-N 1 0 238.213 0.479 20 30 BCEDRO CCOC(=O)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594428376 348044672 /nfs/dbraw/zinc/04/46/72/348044672.db2.gz MZUVOYCMSSXVME-VIFPVBQESA-N 1 0 241.291 0.077 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1cn[nH]c1 ZINC000594429164 348044787 /nfs/dbraw/zinc/04/47/87/348044787.db2.gz RCUASSKIGYVBDS-SECBINFHSA-N 1 0 221.264 0.759 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1nncs1 ZINC000594428126 348045143 /nfs/dbraw/zinc/04/51/43/348045143.db2.gz ZJVSOTVQASUQDX-ZETCQYMHSA-N 1 0 239.304 0.888 20 30 BCEDRO CCC[C@@H](O)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594434728 348046506 /nfs/dbraw/zinc/04/65/06/348046506.db2.gz SEPWYCQJGOIVPQ-GHMZBOCLSA-N 1 0 241.335 0.675 20 30 BCEDRO CN(C(=O)[C@@H]([NH3+])CCCCC#N)[C@H]1CCOC1 ZINC000594434998 348046553 /nfs/dbraw/zinc/04/65/53/348046553.db2.gz YICUEUBRPZRPBJ-QWRGUYRKSA-N 1 0 239.319 0.645 20 30 BCEDRO C[C@@H]1CN(C(=O)CCCCC#N)CC[NH2+]1 ZINC000594424373 348051277 /nfs/dbraw/zinc/05/12/77/348051277.db2.gz CALCSPAUAPZMDV-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO CCOCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425958 348051998 /nfs/dbraw/zinc/05/19/98/348051998.db2.gz BSXVGDQZNLJLRB-JTQLQIEISA-N 1 0 227.308 0.550 20 30 BCEDRO COC(=O)[C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426240 348052306 /nfs/dbraw/zinc/05/23/06/348052306.db2.gz DMKMAMLOHHLZKK-IUCAKERBSA-N 1 0 241.291 0.075 20 30 BCEDRO COCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425561 348052430 /nfs/dbraw/zinc/05/24/30/348052430.db2.gz KXNDKUNPUVVIJJ-VIFPVBQESA-N 1 0 213.281 0.160 20 30 BCEDRO COC(C)(C)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594443037 348054983 /nfs/dbraw/zinc/05/49/83/348054983.db2.gz GEPIUWZXNXFWAR-JTQLQIEISA-N 1 0 241.335 0.939 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCCCN1 ZINC000594452231 348058112 /nfs/dbraw/zinc/05/81/12/348058112.db2.gz FTBLHSONZCSQDT-SNVBAGLBSA-N 1 0 224.308 0.525 20 30 BCEDRO COc1cc(OC[C@@H]2C[NH2+]CCO2)ccc1C#N ZINC000594697451 348100737 /nfs/dbraw/zinc/10/07/37/348100737.db2.gz VYLBVWQFVQXLTJ-LBPRGKRZSA-N 1 0 248.282 0.934 20 30 BCEDRO COc1cc(C#N)ccc1OC[C@H]1C[NH2+]CCO1 ZINC000594698620 348101643 /nfs/dbraw/zinc/10/16/43/348101643.db2.gz OHMQKPHIHLUYPC-LLVKDONJSA-N 1 0 248.282 0.934 20 30 BCEDRO C=C[C@@H](NCC[C@@H](C)[NH+](C)C)C(=O)OC ZINC000594709111 348103558 /nfs/dbraw/zinc/10/35/58/348103558.db2.gz CCZQLTADDJMNIP-NXEZZACHSA-N 1 0 214.309 0.644 20 30 BCEDRO CC(C)OC[C@@H](O)C[NH+]1CC(CC#N)C1 ZINC000594715933 348105557 /nfs/dbraw/zinc/10/55/57/348105557.db2.gz DQZOWXCJPBUMME-NSHDSACASA-N 1 0 212.293 0.618 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN1CC(CC#N)C1 ZINC000594716704 348106453 /nfs/dbraw/zinc/10/64/53/348106453.db2.gz TWKVLCZKZCDLOK-LBPRGKRZSA-N 1 0 225.336 0.533 20 30 BCEDRO COC[C@@H](O)C[NH2+]CCc1ccc(C#N)cc1 ZINC000594718320 348106975 /nfs/dbraw/zinc/10/69/75/348106975.db2.gz ODZDHSHVRJVBRE-ZDUSSCGKSA-N 1 0 234.299 0.698 20 30 BCEDRO C[C@@H](CCNS(=O)(=O)CCCC#N)[NH+](C)C ZINC000594816439 348114440 /nfs/dbraw/zinc/11/44/40/348114440.db2.gz HVKIFBWNFKNTBO-JTQLQIEISA-N 1 0 247.364 0.550 20 30 BCEDRO C[C@H](C#N)CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594612696 348083135 /nfs/dbraw/zinc/08/31/35/348083135.db2.gz PQEFGDZTNIOEJL-DGCLKSJQSA-N 1 0 237.347 0.989 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000594644893 348086346 /nfs/dbraw/zinc/08/63/46/348086346.db2.gz WTOWBNYFOVLZBV-GFCCVEGCSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594933701 348140899 /nfs/dbraw/zinc/14/08/99/348140899.db2.gz BGUHTNXFKYGOFQ-NOOOWODRSA-N 1 0 241.331 0.958 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)NCC(C)(C)CC#N ZINC000595266710 348219967 /nfs/dbraw/zinc/21/99/67/348219967.db2.gz BGNRUCSCECABBK-SECBINFHSA-N 1 0 226.324 0.833 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]CCc1ccc(C#N)cc1 ZINC000595058425 348183790 /nfs/dbraw/zinc/18/37/90/348183790.db2.gz AHZSPJBCEVCTDY-JTQLQIEISA-N 1 0 231.299 0.954 20 30 BCEDRO C[C@@H](Cn1cncn1)[NH2+]CCCCC#N ZINC000595012833 348185385 /nfs/dbraw/zinc/18/53/85/348185385.db2.gz PCYBGDFLZITZGA-JTQLQIEISA-N 1 0 207.281 0.950 20 30 BCEDRO CN1C[C@H](C[NH2+][C@H]2CC[C@H](C#N)C2)CC1=O ZINC000595092485 348192638 /nfs/dbraw/zinc/19/26/38/348192638.db2.gz WAEUEPSUDPNGEN-DCAQKATOSA-N 1 0 221.304 0.747 20 30 BCEDRO CC1(C(=O)NCCc2ccc(C#N)cc2)C[NH2+]C1 ZINC000595257734 348204755 /nfs/dbraw/zinc/20/47/55/348204755.db2.gz VSJLTZKQRNYVCP-UHFFFAOYSA-N 1 0 243.310 0.826 20 30 BCEDRO CC(C)[C@H]([NH3+])CCNC(=O)NCCCC#N ZINC000595265018 348207615 /nfs/dbraw/zinc/20/76/15/348207615.db2.gz VCPAAIWYYJMAMX-SNVBAGLBSA-N 1 0 226.324 0.963 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595264940 348207645 /nfs/dbraw/zinc/20/76/45/348207645.db2.gz HKOZONJQLWECDJ-ONGXEEELSA-N 1 0 224.308 0.526 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000595264598 348207764 /nfs/dbraw/zinc/20/77/64/348207764.db2.gz CPTIXHMVEXKJMQ-ZYHUDNBSSA-N 1 0 236.319 0.684 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595265827 348208119 /nfs/dbraw/zinc/20/81/19/348208119.db2.gz USWWNMBTAKYQFW-PSASIEDQSA-N 1 0 210.281 0.279 20 30 BCEDRO C[NH2+]CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595269066 348209717 /nfs/dbraw/zinc/20/97/17/348209717.db2.gz ZRZZXJRLMGXCLS-SNVBAGLBSA-N 1 0 210.281 0.151 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000595272667 348209836 /nfs/dbraw/zinc/20/98/36/348209836.db2.gz DKJGRFRGISFUTC-YDGIUTOCSA-N 1 0 248.330 0.684 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NCCC[NH3+])C1 ZINC000595269010 348209993 /nfs/dbraw/zinc/20/99/93/348209993.db2.gz YEPGBTIEQNQFMQ-JTQLQIEISA-N 1 0 210.281 0.280 20 30 BCEDRO C[C@]1(C#N)CCC[N@H+](C[C@H]2CNC(=O)C2)C1 ZINC000595423658 348246226 /nfs/dbraw/zinc/24/62/26/348246226.db2.gz GCWUALNKWKYHBA-ZYHUDNBSSA-N 1 0 221.304 0.748 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@@](F)(C#N)C1 ZINC000595457709 348255303 /nfs/dbraw/zinc/25/53/03/348255303.db2.gz ZUFKHQPQTRIARW-NWDGAFQWSA-N 1 0 243.326 0.625 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCN1C(=O)CN(C)C1=O ZINC000595530511 348272996 /nfs/dbraw/zinc/27/29/96/348272996.db2.gz RCYSPKHLBVAOJW-SECBINFHSA-N 1 0 238.291 0.162 20 30 BCEDRO CN(C)C(=O)[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000595541850 348276781 /nfs/dbraw/zinc/27/67/81/348276781.db2.gz DAWOJOBILAGINM-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO N#Cc1ccc(CC[N@H+]2C[C@H](CO)[C@H](O)C2)cc1 ZINC000595538731 348277057 /nfs/dbraw/zinc/27/70/57/348277057.db2.gz JQTKBCRNYYFLLF-ZIAGYGMSSA-N 1 0 246.310 0.386 20 30 BCEDRO COC[C@H]([NH2+]CCC#N)C1CCOCC1 ZINC000595616199 348289110 /nfs/dbraw/zinc/28/91/10/348289110.db2.gz QQNKAJSAKKNDDP-NSHDSACASA-N 1 0 212.293 0.931 20 30 BCEDRO C=CC[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000595661355 348300347 /nfs/dbraw/zinc/30/03/47/348300347.db2.gz ZGZZANFGPDJNSN-JTQLQIEISA-N 1 0 239.319 0.730 20 30 BCEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCCCC#N ZINC000595669044 348302602 /nfs/dbraw/zinc/30/26/02/348302602.db2.gz GGFZTOSJCRUWDK-VHSXEESVSA-N 1 0 226.276 0.600 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000595808651 348348897 /nfs/dbraw/zinc/34/88/97/348348897.db2.gz ORZRNLQXPKRSTN-NXEZZACHSA-N 1 0 237.303 0.340 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CCC(CO)(CO)C2)c1 ZINC000595798802 348346429 /nfs/dbraw/zinc/34/64/29/348346429.db2.gz HAKNRGYSJSFNAM-UHFFFAOYSA-N 1 0 246.310 0.735 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CCC(CO)(CO)C2)cc1 ZINC000595801009 348346602 /nfs/dbraw/zinc/34/66/02/348346602.db2.gz VLVFBSNWTZMRQH-UHFFFAOYSA-N 1 0 246.310 0.735 20 30 BCEDRO N#CCCOCC[N@@H+]1CCC2(COC2)C1 ZINC000595834292 348368163 /nfs/dbraw/zinc/36/81/63/348368163.db2.gz NZWZNKYLXDQCCV-UHFFFAOYSA-N 1 0 210.277 0.639 20 30 BCEDRO C[C@]1(C#N)CC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000595839043 348372579 /nfs/dbraw/zinc/37/25/79/348372579.db2.gz GTJPIJPLKQGSBA-LLVKDONJSA-N 1 0 238.291 0.197 20 30 BCEDRO CNC(=O)CCC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595840781 348375357 /nfs/dbraw/zinc/37/53/57/348375357.db2.gz FGRXHJAUEKLWPT-NSHDSACASA-N 1 0 209.293 0.748 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H](C)C(=O)NC(N)=O ZINC000595841140 348376397 /nfs/dbraw/zinc/37/63/97/348376397.db2.gz IIHDVNYGBDIIFB-BBBLOLIVSA-N 1 0 237.303 0.753 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(=O)NC ZINC000595842965 348379976 /nfs/dbraw/zinc/37/99/76/348379976.db2.gz WSUOSCSRDROBOH-AOOOYVTPSA-N 1 0 237.303 0.625 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000268435659 166298146 /nfs/dbraw/zinc/29/81/46/166298146.db2.gz DZUOGWWHJRANAQ-ZYHUDNBSSA-N 1 0 245.294 0.901 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCC(=O)OC(C)C ZINC000595863978 348383530 /nfs/dbraw/zinc/38/35/30/348383530.db2.gz MHZWMEPEEQIFAS-SECBINFHSA-N 1 0 201.266 0.465 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1ccnc(C)c1 ZINC000623487217 362911760 /nfs/dbraw/zinc/91/17/60/362911760.db2.gz WZEKUYALFCGQED-UHFFFAOYSA-N 1 0 219.288 0.782 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(CC)C[C@H](C)C#N ZINC000595864334 348384791 /nfs/dbraw/zinc/38/47/91/348384791.db2.gz YLLMIVQIMLZDFN-GHMZBOCLSA-N 1 0 239.319 0.131 20 30 BCEDRO CCN(C[C@H](O)C[N@H+](C)C1CC1)[C@H](C)C#N ZINC000595819465 348359656 /nfs/dbraw/zinc/35/96/56/348359656.db2.gz AYWQMNBNNUTUSY-ZYHUDNBSSA-N 1 0 225.336 0.675 20 30 BCEDRO CC(F)(F)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000595971986 348408209 /nfs/dbraw/zinc/40/82/09/348408209.db2.gz YNPNWGGRJCMOPN-ZETCQYMHSA-N 1 0 219.235 0.779 20 30 BCEDRO CC(F)(F)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000595971985 348408265 /nfs/dbraw/zinc/40/82/65/348408265.db2.gz YNPNWGGRJCMOPN-SSDOTTSWSA-N 1 0 219.235 0.779 20 30 BCEDRO C[C@@]1(C#N)CCN([C@@H]2CC(=O)N(C3CC3)C2=O)C1 ZINC000596010464 348413038 /nfs/dbraw/zinc/41/30/38/348413038.db2.gz AQJNAAABFJMQDE-MFKMUULPSA-N 1 0 247.298 0.512 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000595980106 348415181 /nfs/dbraw/zinc/41/51/81/348415181.db2.gz FTAVDUNTMZAIFN-NGZCFLSTSA-N 1 0 207.277 0.486 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000595980129 348415194 /nfs/dbraw/zinc/41/51/94/348415194.db2.gz GGFILCZKOSBACS-XCBNKYQSSA-N 1 0 231.246 0.731 20 30 BCEDRO C[C@@H](C(=O)N1CC[C@](C)(C#N)C1)[C@H](C)[NH3+] ZINC000595980694 348415273 /nfs/dbraw/zinc/41/52/73/348415273.db2.gz JAMACFFJLWUBPQ-WCABBAIRSA-N 1 0 209.293 0.732 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000595981110 348415771 /nfs/dbraw/zinc/41/57/71/348415771.db2.gz MOQADVBRYLNONL-SCVCMEIPSA-N 1 0 221.304 0.876 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595980748 348415791 /nfs/dbraw/zinc/41/57/91/348415791.db2.gz JUYNWCFNLLVYKC-NHCYSSNCSA-N 1 0 221.304 0.747 20 30 BCEDRO C[NH2+]C[C@H](C)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595981134 348415831 /nfs/dbraw/zinc/41/58/31/348415831.db2.gz MXIPTRDKQVILLE-ONGXEEELSA-N 1 0 209.293 0.604 20 30 BCEDRO C[NH2+]C[C@@H](C)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595981132 348415933 /nfs/dbraw/zinc/41/59/33/348415933.db2.gz MXIPTRDKQVILLE-KOLCDFICSA-N 1 0 209.293 0.604 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000595982855 348418333 /nfs/dbraw/zinc/41/83/33/348418333.db2.gz YEFBSBKFKYFKSV-JQWIXIFHSA-N 1 0 237.303 0.127 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)C1(C#N)CCCC1 ZINC000595984269 348418416 /nfs/dbraw/zinc/41/84/16/348418416.db2.gz QXQCKXZRGIPDKP-SECBINFHSA-N 1 0 209.293 0.794 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)COc1ccc(C#N)cc1 ZINC000595985072 348419266 /nfs/dbraw/zinc/41/92/66/348419266.db2.gz VGVYOFYWSHDZEK-SNVBAGLBSA-N 1 0 247.298 0.661 20 30 BCEDRO N#Cc1cccc2c1CN(C[C@@H]1C[NH2+]CCO1)C2 ZINC000595896182 348391754 /nfs/dbraw/zinc/39/17/54/348391754.db2.gz IDRHWRGTDVAUCL-ZDUSSCGKSA-N 1 0 243.310 0.862 20 30 BCEDRO C[N@@H+](CC(=O)NCC#N)C[C@@H]1CC1(C)C ZINC000595912652 348399757 /nfs/dbraw/zinc/39/97/57/348399757.db2.gz OIBQLZYVMYXECR-VIFPVBQESA-N 1 0 209.293 0.604 20 30 BCEDRO N#CC1(CC(=O)NCC[NH3+])CCCCC1 ZINC000595919054 348401178 /nfs/dbraw/zinc/40/11/78/348401178.db2.gz FPHOVOLSFBRBDU-UHFFFAOYSA-N 1 0 209.293 0.925 20 30 BCEDRO CC(C)[C@@H](CO)NC(=O)[C@H]([NH3+])CCCC#N ZINC000595959271 348404839 /nfs/dbraw/zinc/40/48/39/348404839.db2.gz MDEKDKIUMISXAT-NXEZZACHSA-N 1 0 227.308 0.141 20 30 BCEDRO CN(c1ccc(C#N)c(N)n1)[C@H](C[NH3+])C1CC1 ZINC000596012901 348429494 /nfs/dbraw/zinc/42/94/94/348429494.db2.gz CEBHTDPHJVMAGX-SNVBAGLBSA-N 1 0 231.303 0.709 20 30 BCEDRO C[C@]1(F)C[NH2+]CCN(c2ccc(C#N)c(N)n2)C1 ZINC000596014392 348429994 /nfs/dbraw/zinc/42/99/94/348429994.db2.gz OQHXOAOUKNHZPR-LBPRGKRZSA-N 1 0 249.293 0.673 20 30 BCEDRO COC(=O)c1ccc(NC[C@H](C)[NH3+])c(C#N)n1 ZINC000596013666 348430032 /nfs/dbraw/zinc/43/00/32/348430032.db2.gz JHUXOOXEGYFYDZ-ZETCQYMHSA-N 1 0 234.259 0.499 20 30 BCEDRO N#Cc1ccc(N2CC[C@H]3CC[NH2+][C@H]3C2)nc1N ZINC000596015616 348430627 /nfs/dbraw/zinc/43/06/27/348430627.db2.gz FPDHYXOAMBFICL-KOLCDFICSA-N 1 0 243.314 0.724 20 30 BCEDRO C[C@@H]1CN(c2ncc(C#N)cc2F)CC[NH2+]1 ZINC000596015323 348430678 /nfs/dbraw/zinc/43/06/78/348430678.db2.gz BOZTWNIDNZZLPO-MRVPVSSYSA-N 1 0 220.251 0.890 20 30 BCEDRO C[NH+](C)C[C@H](CO)Nc1ncc(C#N)cc1F ZINC000596244998 348485735 /nfs/dbraw/zinc/48/57/35/348485735.db2.gz UHXOCYVYICLMCK-SECBINFHSA-N 1 0 238.266 0.427 20 30 BCEDRO CC(C)[C@@](C)(C#N)NC(=O)C[N@H+](C)[C@H](C)CO ZINC000245704399 192139050 /nfs/dbraw/zinc/13/90/50/192139050.db2.gz YESCZQKARYYBHL-ZYHUDNBSSA-N 1 0 241.335 0.353 20 30 BCEDRO CC[N@@H+]1CCN(c2c(C#N)cnn2C)C[C@@H]1C ZINC000596173495 348461757 /nfs/dbraw/zinc/46/17/57/348461757.db2.gz VSAIEEPYSINOPY-JTQLQIEISA-N 1 0 233.319 0.822 20 30 BCEDRO Cn1ncc(C#N)c1N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000596214200 348467276 /nfs/dbraw/zinc/46/72/76/348467276.db2.gz OYDAAWODRDDWRK-PHIMTYICSA-N 1 0 231.303 0.290 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3cc(C#N)ncn3)C[C@@H]21 ZINC000596263869 348479263 /nfs/dbraw/zinc/47/92/63/348479263.db2.gz NVNRHZIPTUKKAB-KOLCDFICSA-N 1 0 229.287 0.489 20 30 BCEDRO C[C@@H](CNC(=O)NCC1(C#N)CCC1)[NH+](C)C ZINC000419503583 192137625 /nfs/dbraw/zinc/13/76/25/192137625.db2.gz DOYHLGZVDBEEMI-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO CN(CC1C[NH+](C)C1)c1ccc(C#N)c(N)n1 ZINC000596452104 348551897 /nfs/dbraw/zinc/55/18/97/348551897.db2.gz CLRWWZQUFNWBDX-UHFFFAOYSA-N 1 0 231.303 0.533 20 30 BCEDRO C[C@@H](CCNC(=O)c1cc(C#N)c[nH]1)[NH+](C)C ZINC000596452943 348552076 /nfs/dbraw/zinc/55/20/76/348552076.db2.gz FMVLWXZYWHITPJ-VIFPVBQESA-N 1 0 234.303 0.956 20 30 BCEDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000419812511 192145606 /nfs/dbraw/zinc/14/56/06/192145606.db2.gz MVINZPVUGZZGRQ-BXKDBHETSA-N 1 0 220.272 0.390 20 30 BCEDRO C[C@H](CCNC(=O)NCC1(C#N)CC1)[NH+](C)C ZINC000596587592 348593406 /nfs/dbraw/zinc/59/34/06/348593406.db2.gz NPBBMXZYLPCNFT-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1CCC[N@H+](C)CC1 ZINC000596630239 348597661 /nfs/dbraw/zinc/59/76/61/348597661.db2.gz HMYOZEIJNAJOES-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO C=CCCN(C)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419995077 192156698 /nfs/dbraw/zinc/15/66/98/192156698.db2.gz JXVGTJYHGCKYRH-SNVBAGLBSA-N 1 0 241.335 0.120 20 30 BCEDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)CC#N)C1 ZINC000596885309 348628759 /nfs/dbraw/zinc/62/87/59/348628759.db2.gz UMSCDZLTLRQTOW-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)CC#N)C1 ZINC000596885311 348628765 /nfs/dbraw/zinc/62/87/65/348628765.db2.gz UMSCDZLTLRQTOW-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO CCN(CCC#N)C(=O)C1([NH+](C)C)CC1 ZINC000596889760 348629652 /nfs/dbraw/zinc/62/96/52/348629652.db2.gz FOBYDTOMAJNXLC-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)CC#N)C1 ZINC000597172638 348668980 /nfs/dbraw/zinc/66/89/80/348668980.db2.gz ILDWVVOXHMBGJH-WDEREUQCSA-N 1 0 239.319 0.373 20 30 BCEDRO C[C@]1(NC(=O)N[C@@H]2CC[C@H](C#N)C2)CC[NH2+]C1 ZINC000597434728 348736043 /nfs/dbraw/zinc/73/60/43/348736043.db2.gz SOLRZTXQSYAMKD-UMNHJUIQSA-N 1 0 236.319 0.730 20 30 BCEDRO C[C@@H](CC#N)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000597224615 348695318 /nfs/dbraw/zinc/69/53/18/348695318.db2.gz MMGGGNHFXDWAQC-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO N#CCCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000597440928 348737241 /nfs/dbraw/zinc/73/72/41/348737241.db2.gz PKRCHFFDBHFTLV-SNVBAGLBSA-N 1 0 236.319 0.731 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)CC#N ZINC000308811671 348699909 /nfs/dbraw/zinc/69/99/09/348699909.db2.gz HKWVMIYVYVNLTG-WDEREUQCSA-N 1 0 213.325 0.533 20 30 BCEDRO N#CCCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000597440927 348737478 /nfs/dbraw/zinc/73/74/78/348737478.db2.gz PKRCHFFDBHFTLV-JTQLQIEISA-N 1 0 236.319 0.731 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000398868428 323194193 /nfs/dbraw/zinc/19/41/93/323194193.db2.gz XZFJSJFBVCMIHI-SRVKXCTJSA-N 1 0 240.347 0.627 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1[C@@H]1COCCN1C(=O)CC#N ZINC000597693997 348777134 /nfs/dbraw/zinc/77/71/34/348777134.db2.gz HXQITAIHYOGUBK-MNOVXSKESA-N 1 0 237.303 0.222 20 30 BCEDRO C[C@H](CC#N)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000597698561 348796040 /nfs/dbraw/zinc/79/60/40/348796040.db2.gz LINVPFSMTQUSHQ-SNVBAGLBSA-N 1 0 249.318 0.933 20 30 BCEDRO C[C@@H](CC#N)C(=O)NC(C)(C)C[NH+](C)C ZINC000597759267 348798096 /nfs/dbraw/zinc/79/80/96/348798096.db2.gz HVHOKXDNOFZDPY-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@H](CC#N)C(=O)N(C)CCC[NH+](C)C ZINC000597479747 348745532 /nfs/dbraw/zinc/74/55/32/348745532.db2.gz VCXDJYWDGHEVIN-SNVBAGLBSA-N 1 0 211.309 0.946 20 30 BCEDRO C=CCOCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000421703251 192374370 /nfs/dbraw/zinc/37/43/70/192374370.db2.gz LWQXCRIDIQBOIB-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO N#CCC(=O)NCC12CCC[NH+]1CCC2 ZINC000597587702 348758834 /nfs/dbraw/zinc/75/88/34/348758834.db2.gz CIQWYWVGPYGDAO-UHFFFAOYSA-N 1 0 207.277 0.645 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000597573731 348762341 /nfs/dbraw/zinc/76/23/41/348762341.db2.gz HXZVCCLQUBHREO-JQWIXIFHSA-N 1 0 239.319 0.061 20 30 BCEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@H](C#N)CO ZINC000597742768 348808492 /nfs/dbraw/zinc/80/84/92/348808492.db2.gz PBAJIHXKVMBNJX-DTWKUNHWSA-N 1 0 227.308 0.154 20 30 BCEDRO C[C@@H](CC#N)C(=O)NCC1([NH+](C)C)CC1 ZINC000597783569 348816613 /nfs/dbraw/zinc/81/66/13/348816613.db2.gz MJRYLQXOYFLSFJ-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO CCN(C(=O)[C@@H](C)C#N)[C@H]1CC[N@H+](C)C1 ZINC000597943972 348847112 /nfs/dbraw/zinc/84/71/12/348847112.db2.gz BGOHZDRJFUMOLA-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CCCSCCNC(=O)C[NH+](C)C ZINC000597972146 348856855 /nfs/dbraw/zinc/85/68/55/348856855.db2.gz KCYMKGPHBLSNJW-UHFFFAOYSA-N 1 0 216.350 0.974 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(CC#N)C1 ZINC000598022293 348861402 /nfs/dbraw/zinc/86/14/02/348861402.db2.gz CQUYJKCLWZGMKU-NSHDSACASA-N 1 0 221.304 0.843 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N2CC(CC#N)C2)C1 ZINC000598024381 348863045 /nfs/dbraw/zinc/86/30/45/348863045.db2.gz GDPGSMFEVXYTIP-SNVBAGLBSA-N 1 0 221.304 0.700 20 30 BCEDRO CC[C@H](C(=O)N1CC(CC#N)C1)[NH+](C)C ZINC000598033032 348867565 /nfs/dbraw/zinc/86/75/65/348867565.db2.gz PJXTUXCFRMTTMU-SNVBAGLBSA-N 1 0 209.293 0.699 20 30 BCEDRO CCN(C(=O)CC#N)[C@@H]1CC[N@H+](CC)C1 ZINC000598040271 348874151 /nfs/dbraw/zinc/87/41/51/348874151.db2.gz OCQCCQXYLCEDNE-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@@H](C)C#N ZINC000598359874 348945250 /nfs/dbraw/zinc/94/52/50/348945250.db2.gz NLDZAKBIVQDSHW-UWVGGRQHSA-N 1 0 209.293 0.841 20 30 BCEDRO CC[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H]1O ZINC000598598456 348992205 /nfs/dbraw/zinc/99/22/05/348992205.db2.gz FOLFNIWGIVNOMH-WOPDTQHZSA-N 1 0 240.347 0.990 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H]1O ZINC000598599496 348992951 /nfs/dbraw/zinc/99/29/51/348992951.db2.gz JJYFEWCUXZLHKX-VWYCJHECSA-N 1 0 226.320 0.600 20 30 BCEDRO CC(C)[C@@H]1CN(C(=O)[C@@H](C)CC#N)CC[NH2+]1 ZINC000598577001 348994299 /nfs/dbraw/zinc/99/42/99/348994299.db2.gz ZJLMAKFHLNMPBC-QWRGUYRKSA-N 1 0 223.320 0.993 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000598586930 348995980 /nfs/dbraw/zinc/99/59/80/348995980.db2.gz LIOJOYZKQIMLQH-VXGBXAGGSA-N 1 0 240.347 0.991 20 30 BCEDRO C[C@@H](O)C[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598592516 348998429 /nfs/dbraw/zinc/99/84/29/348998429.db2.gz LMARLTLPFPCDHS-NXEZZACHSA-N 1 0 214.309 0.600 20 30 BCEDRO C[C@@H](CCO)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598622903 349003485 /nfs/dbraw/zinc/00/34/85/349003485.db2.gz OTIHJGATTXKWTH-WDEREUQCSA-N 1 0 228.336 0.990 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CC(C)(C(N)=O)C1 ZINC000598624418 349003892 /nfs/dbraw/zinc/00/38/92/349003892.db2.gz HCEXJXSJPSWOKF-SECBINFHSA-N 1 0 239.319 0.094 20 30 BCEDRO C[C@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598703667 349022455 /nfs/dbraw/zinc/02/24/55/349022455.db2.gz IRUIJBJJAWCPCW-IUCAKERBSA-N 1 0 200.282 0.258 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)CCCC#N)C1 ZINC000598717289 349025825 /nfs/dbraw/zinc/02/58/25/349025825.db2.gz DHWQDLHXDCZAAI-UHFFFAOYSA-N 1 0 209.293 0.889 20 30 BCEDRO CN1CC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1=O ZINC000598718721 349026600 /nfs/dbraw/zinc/02/66/00/349026600.db2.gz GNEZJCUGTUEKRY-UWVGGRQHSA-N 1 0 239.319 0.107 20 30 BCEDRO CN1C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CC1=O ZINC000598718695 349027159 /nfs/dbraw/zinc/02/71/59/349027159.db2.gz CMWGRZFHGIWILB-VHSXEESVSA-N 1 0 239.319 0.107 20 30 BCEDRO CNC(=O)CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598721245 349027694 /nfs/dbraw/zinc/02/76/94/349027694.db2.gz UDWSGLBMOJMMOZ-SNVBAGLBSA-N 1 0 241.335 0.403 20 30 BCEDRO COC[C@@H](O)CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598729404 349031357 /nfs/dbraw/zinc/03/13/57/349031357.db2.gz IUYKRJWZVQHUGV-QWRGUYRKSA-N 1 0 244.335 0.274 20 30 BCEDRO COC[C@H](CCO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598729220 349031482 /nfs/dbraw/zinc/03/14/82/349031482.db2.gz HLIBAEDFRAIOEN-QWRGUYRKSA-N 1 0 244.335 0.274 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H](O)C1CC1 ZINC000598729957 349031752 /nfs/dbraw/zinc/03/17/52/349031752.db2.gz PHMAPTPQEZRAGW-GHMZBOCLSA-N 1 0 226.320 0.648 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730398 349032684 /nfs/dbraw/zinc/03/26/84/349032684.db2.gz UVFOILCQSCUZGP-MNOVXSKESA-N 1 0 226.320 0.814 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1 ZINC000599011827 349075876 /nfs/dbraw/zinc/07/58/76/349075876.db2.gz MVBPPCKCRGMTJX-CHWSQXEVSA-N 1 0 232.283 0.798 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000599070233 349088172 /nfs/dbraw/zinc/08/81/72/349088172.db2.gz JJRXMFPUTPLBQO-ZYUZMQFOSA-N 1 0 207.277 0.532 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000599075887 349089089 /nfs/dbraw/zinc/08/90/89/349089089.db2.gz AWUYRFVDMAJESL-WOPDTQHZSA-N 1 0 223.320 0.599 20 30 BCEDRO C[NH+](C)CCCNC(=O)Cc1ccc(C#N)nc1 ZINC000598957132 349066679 /nfs/dbraw/zinc/06/66/79/349066679.db2.gz XKIGPKTYMVWKSB-UHFFFAOYSA-N 1 0 246.314 0.564 20 30 BCEDRO C[C@@H](O)CC[N@H+](C)C[C@H](O)CC1(C#N)CC1 ZINC000599299733 349141233 /nfs/dbraw/zinc/14/12/33/349141233.db2.gz JKAKMOWKESDDCT-GHMZBOCLSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@H](O)CC[N@H+](C)C[C@H](O)CC1(C#N)CC1 ZINC000599299736 349141311 /nfs/dbraw/zinc/14/13/11/349141311.db2.gz JKAKMOWKESDDCT-WDEREUQCSA-N 1 0 226.320 0.744 20 30 BCEDRO CC(C)[C@@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599356731 349159382 /nfs/dbraw/zinc/15/93/82/349159382.db2.gz FYUJGOFWGUJCBW-GHMZBOCLSA-N 1 0 226.320 0.648 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000273275523 192390583 /nfs/dbraw/zinc/39/05/83/192390583.db2.gz KGNQUJXGKXGWBV-GHMZBOCLSA-N 1 0 241.335 0.317 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000599526950 349208286 /nfs/dbraw/zinc/20/82/86/349208286.db2.gz XXTXUCRSRAHVFP-VIFPVBQESA-N 1 0 225.292 0.340 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000599475151 349195213 /nfs/dbraw/zinc/19/52/13/349195213.db2.gz ICYOPSGRSYHNSW-LLVKDONJSA-N 1 0 236.315 0.763 20 30 BCEDRO CC(C)(CCC#N)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000599925388 349271092 /nfs/dbraw/zinc/27/10/92/349271092.db2.gz YYFICZFWRIBSLT-SNVBAGLBSA-N 1 0 238.335 0.977 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000599942350 349272890 /nfs/dbraw/zinc/27/28/90/349272890.db2.gz ZRTBNORZARHSBH-MXWKQRLJSA-N 1 0 238.335 0.928 20 30 BCEDRO CCC(C#N)(CC)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000599941562 349272987 /nfs/dbraw/zinc/27/29/87/349272987.db2.gz WZDLBPQGMLYMMD-SNVBAGLBSA-N 1 0 241.335 0.355 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000599942349 349273118 /nfs/dbraw/zinc/27/31/18/349273118.db2.gz ZRTBNORZARHSBH-GMTAPVOTSA-N 1 0 238.335 0.928 20 30 BCEDRO N#CC1(C[C@H](O)CN2CC3(C2)CCCO3)CC1 ZINC000601964268 349403086 /nfs/dbraw/zinc/40/30/86/349403086.db2.gz MKRYLCMPOVQZKC-NSHDSACASA-N 1 0 236.315 0.906 20 30 BCEDRO CN(C(=O)C[NH+](C)C)[C@@H]1CCC[C@@H]1C#N ZINC000601807763 349360718 /nfs/dbraw/zinc/36/07/18/349360718.db2.gz IRLSVXAKKNASAO-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971345 349407812 /nfs/dbraw/zinc/40/78/12/349407812.db2.gz BEYGPKRCVZDUPM-TUAOUCFPSA-N 1 0 238.331 0.865 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1C ZINC000070831289 190987625 /nfs/dbraw/zinc/98/76/25/190987625.db2.gz DKBIMKLAVDPFIZ-OUAUKWLOSA-N 1 0 208.305 0.903 20 30 BCEDRO C[C@H](C(=O)N(CCC#N)CCC#N)[NH+](C)C ZINC000602080832 349431160 /nfs/dbraw/zinc/43/11/60/349431160.db2.gz ZMKRFKITRALALE-SNVBAGLBSA-N 1 0 222.292 0.592 20 30 BCEDRO C=CCN(C)C(=O)NC[C@@H]1C[N@H+](C)CCN1C ZINC000275065210 166315690 /nfs/dbraw/zinc/31/56/90/166315690.db2.gz JKPDLFFAKKSPKJ-LLVKDONJSA-N 1 0 240.351 0.060 20 30 BCEDRO C=C(C)COCC[NH2+]Cc1cnnn1C ZINC000131387419 191012255 /nfs/dbraw/zinc/01/22/55/191012255.db2.gz RODSBILJGPFCEE-UHFFFAOYSA-N 1 0 210.281 0.497 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](O)C1(C)C ZINC000309157564 350109024 /nfs/dbraw/zinc/10/90/24/350109024.db2.gz XUQDKUJHLUJNSH-IUCAKERBSA-N 1 0 212.293 0.038 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000636987972 350129526 /nfs/dbraw/zinc/12/95/26/350129526.db2.gz FGLQKSIENDLPFH-GHMZBOCLSA-N 1 0 241.335 0.365 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636987975 350129527 /nfs/dbraw/zinc/12/95/27/350129527.db2.gz FGLQKSIENDLPFH-WDEREUQCSA-N 1 0 241.335 0.365 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1CN(C)CCO1 ZINC000618523665 350127160 /nfs/dbraw/zinc/12/71/60/350127160.db2.gz MDDLMDZODYDOED-LLVKDONJSA-N 1 0 242.319 0.026 20 30 BCEDRO C=CCOCCCNC(=O)[C@H](C)[NH+](C)C ZINC000618526456 350148814 /nfs/dbraw/zinc/14/88/14/350148814.db2.gz RBTGAAOCYJTRGH-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000132347803 191031379 /nfs/dbraw/zinc/03/13/79/191031379.db2.gz RWYKZFXCIWYSPO-GFCCVEGCSA-N 1 0 238.331 0.886 20 30 BCEDRO C=CCCOCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000132343072 191031433 /nfs/dbraw/zinc/03/14/33/191031433.db2.gz KHLMNUPAWSGQKC-NSHDSACASA-N 1 0 247.360 0.746 20 30 BCEDRO N#Cc1ccc(C[NH+]2CCC(O)(CO)CC2)cc1 ZINC000313629102 350163791 /nfs/dbraw/zinc/16/37/91/350163791.db2.gz FFHUYCJBWYOSMA-UHFFFAOYSA-N 1 0 246.310 0.877 20 30 BCEDRO C=CCCCCC[N@@H+](C)CC(=O)NC(N)=O ZINC000150880638 191059052 /nfs/dbraw/zinc/05/90/52/191059052.db2.gz YPDQITDYVNGAMJ-UHFFFAOYSA-N 1 0 227.308 0.860 20 30 BCEDRO CC1(CCNC(=[NH2+])NCC2CCC2)OCCO1 ZINC000262349389 535115506 /nfs/dbraw/zinc/11/55/06/535115506.db2.gz FLLQXTNIFWNYRT-UHFFFAOYSA-N 1 0 241.335 0.844 20 30 BCEDRO C=C(CC)CNC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000334948834 350225737 /nfs/dbraw/zinc/22/57/37/350225737.db2.gz PNJVHYDIGKTXCQ-UHFFFAOYSA-N 1 0 239.319 0.336 20 30 BCEDRO C=C(C)CCNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637189246 350247311 /nfs/dbraw/zinc/24/73/11/350247311.db2.gz GTITVXOJRWNADK-LLVKDONJSA-N 1 0 241.335 0.318 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@@H](C)CC#N ZINC000309266823 350247679 /nfs/dbraw/zinc/24/76/79/350247679.db2.gz QHFKRVJCKBBHTP-RYUDHWBXSA-N 1 0 227.352 0.921 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CCC(C#N)CC1 ZINC000309288039 350255850 /nfs/dbraw/zinc/25/58/50/350255850.db2.gz VCRUOAGKUVSHMA-GFCCVEGCSA-N 1 0 225.336 0.535 20 30 BCEDRO C[NH+](C)C1(C(=O)NCC#N)Cc2ccccc2C1 ZINC000365447694 350282472 /nfs/dbraw/zinc/28/24/72/350282472.db2.gz LTQKEUKTZZDENR-UHFFFAOYSA-N 1 0 243.310 0.725 20 30 BCEDRO CC(C)(C#N)CCN1CCS(=O)CC1 ZINC000083640540 350264907 /nfs/dbraw/zinc/26/49/07/350264907.db2.gz JWOMGINXNYOKCC-UHFFFAOYSA-N 1 0 214.334 0.991 20 30 BCEDRO C[C@H]1C[N@H+](C)CCN1c1cc(C#N)ncn1 ZINC000309294180 350268903 /nfs/dbraw/zinc/26/89/03/350268903.db2.gz KJJOFDAURDOJIX-VIFPVBQESA-N 1 0 217.276 0.489 20 30 BCEDRO COCC[NH2+]CC(=O)Nc1nnc(C)s1 ZINC000026439505 350274467 /nfs/dbraw/zinc/27/44/67/350274467.db2.gz HOMWSVVXCJUCTA-UHFFFAOYSA-N 1 0 230.293 0.671 20 30 BCEDRO C=CCNC(=O)NCC1CC[NH+](CCO)CC1 ZINC000111785941 350301736 /nfs/dbraw/zinc/30/17/36/350301736.db2.gz OOQQSTGPQAQFGO-UHFFFAOYSA-N 1 0 241.335 0.176 20 30 BCEDRO CC(C)NC(=[NH2+])N[C@@H]1CCn2ccnc2C1 ZINC000262474218 535123871 /nfs/dbraw/zinc/12/38/71/535123871.db2.gz OYEJKJCTFCVVLV-SECBINFHSA-N 1 0 221.308 0.511 20 30 BCEDRO C[C@H]1C[C@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000040221874 350358972 /nfs/dbraw/zinc/35/89/72/350358972.db2.gz DZOCYAYMVYAYRZ-VHSXEESVSA-N 1 0 221.304 0.747 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@H]1CC(=O)N(C2CC2)C1 ZINC000262536613 535124626 /nfs/dbraw/zinc/12/46/26/535124626.db2.gz KCEWVHNULVUKQE-SECBINFHSA-N 1 0 238.335 0.310 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N2CCO[C@H](C#N)C2)C1 ZINC000580783828 350438178 /nfs/dbraw/zinc/43/81/78/350438178.db2.gz WRTXCXZMQYHFSX-WDEREUQCSA-N 1 0 237.303 0.079 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000162695546 350413125 /nfs/dbraw/zinc/41/31/25/350413125.db2.gz BMCCWAHEBPXUGS-JTQLQIEISA-N 1 0 211.309 0.766 20 30 BCEDRO C=CCC[N@H+](C)CCCS(C)(=O)=O ZINC000336643373 350413437 /nfs/dbraw/zinc/41/34/37/350413437.db2.gz HKRZSAYURZEOHN-UHFFFAOYSA-N 1 0 205.323 0.929 20 30 BCEDRO C=CC1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000336653893 350420178 /nfs/dbraw/zinc/42/01/78/350420178.db2.gz JOVOSPPXFYFBNR-UHFFFAOYSA-N 1 0 246.376 0.776 20 30 BCEDRO CC#CCC[NH+]1CCC(O)(COC)CC1 ZINC000336665830 350426792 /nfs/dbraw/zinc/42/67/92/350426792.db2.gz ODJCSAUARIRDLS-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CCC[N@@H+](C)CCCS(=O)(=O)NC ZINC000336694691 350449842 /nfs/dbraw/zinc/44/98/42/350449842.db2.gz SGSHOZYYJMIWSW-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO CC#CCN(C)C(=O)NCC[NH2+]C1CC1 ZINC000637347209 350470251 /nfs/dbraw/zinc/47/02/51/350470251.db2.gz CFVOTXSILLYWIP-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO C[NH+]=C(NCc1ccnn1C)N[C@H]1C[C@@H]1C ZINC000083858402 490563009 /nfs/dbraw/zinc/56/30/09/490563009.db2.gz HMXGIBPQDYGWEI-WPRPVWTQSA-N 1 0 221.308 0.494 20 30 BCEDRO COC[C@H](C)C[NH2+]C1CCN(CC#N)CC1 ZINC000309460627 350514022 /nfs/dbraw/zinc/51/40/22/350514022.db2.gz NUKCCWSUOCAVMO-LLVKDONJSA-N 1 0 225.336 0.846 20 30 BCEDRO C=CCN1CC[C@@H]([NH+]2CCC(CO)CC2)C1=O ZINC000337127314 350558716 /nfs/dbraw/zinc/55/87/16/350558716.db2.gz GYMJZQMHGQEYCA-GFCCVEGCSA-N 1 0 238.331 0.478 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617340321 350764588 /nfs/dbraw/zinc/76/45/88/350764588.db2.gz YUJDVUFYFZYHNP-GXFFZTMASA-N 1 0 240.347 0.912 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@H](OCCOC)C1 ZINC000339111188 350735024 /nfs/dbraw/zinc/73/50/24/350735024.db2.gz LNRINGDMNBKVCQ-LBPRGKRZSA-N 1 0 229.320 0.926 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617340320 350764260 /nfs/dbraw/zinc/76/42/60/350764260.db2.gz YUJDVUFYFZYHNP-GWCFXTLKSA-N 1 0 240.347 0.912 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CO)[C@H]2CCCO2)C1 ZINC000336682623 350907382 /nfs/dbraw/zinc/90/73/82/350907382.db2.gz PXGRMQAKNHBTEB-NOOOWODRSA-N 1 0 224.304 0.808 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH+](C)C1CC1 ZINC000336685002 350930182 /nfs/dbraw/zinc/93/01/82/350930182.db2.gz KLTXYKKDEYAUST-LLVKDONJSA-N 1 0 211.309 0.287 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+](CC2(CO)COC2)C1 ZINC000397582715 350930898 /nfs/dbraw/zinc/93/08/98/350930898.db2.gz GGXLEKJLQWINLS-NSHDSACASA-N 1 0 224.304 0.621 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC000397745173 350969878 /nfs/dbraw/zinc/96/98/78/350969878.db2.gz BBVNLXWIXXRGHF-NSHDSACASA-N 1 0 236.319 0.637 20 30 BCEDRO C=CCNC(=O)CN[C@@](C)(C[NH3+])C(C)C ZINC000336691804 350993087 /nfs/dbraw/zinc/99/30/87/350993087.db2.gz WYEQMQBYHMTVLB-NSHDSACASA-N 1 0 213.325 0.252 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H](CC#N)C1 ZINC000397598135 350950587 /nfs/dbraw/zinc/95/05/87/350950587.db2.gz KWDAWKUACWGLLN-LLVKDONJSA-N 1 0 221.304 0.914 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000070944216 351125986 /nfs/dbraw/zinc/12/59/86/351125986.db2.gz ARPFBISHFHOIKT-UHFFFAOYSA-N 1 0 236.319 0.983 20 30 BCEDRO N#Cc1csc(C[NH2+]C[C@@H]2CCC(=O)N2)c1 ZINC000086500330 351165653 /nfs/dbraw/zinc/16/56/53/351165653.db2.gz KFBSFUYLFCAXHH-VIFPVBQESA-N 1 0 235.312 0.988 20 30 BCEDRO N#Cc1ccc([C@@H]2CN(CC[NH3+])CCO2)cc1 ZINC000616649106 351177700 /nfs/dbraw/zinc/17/77/00/351177700.db2.gz UQFISBVNLFTYSM-ZDUSSCGKSA-N 1 0 231.299 0.890 20 30 BCEDRO C=CCNC(=[NH2+])NCC1([C@H](O)C(C)C)CC1 ZINC000271805019 351438063 /nfs/dbraw/zinc/43/80/63/351438063.db2.gz MCBJFDIMCCYGFZ-SNVBAGLBSA-N 1 0 225.336 0.874 20 30 BCEDRO CCNC(=[NH2+])NCc1c(CC)nn(C)c1OC ZINC000271287074 351410796 /nfs/dbraw/zinc/41/07/96/351410796.db2.gz DRHHVSJTMGHDBP-UHFFFAOYSA-N 1 0 239.323 0.415 20 30 BCEDRO C[NH2+]CC(=O)N1Cc2cccc(C#N)c2C1 ZINC000405029033 351469424 /nfs/dbraw/zinc/46/94/24/351469424.db2.gz ANJNPRYFTAOFOD-UHFFFAOYSA-N 1 0 215.256 0.620 20 30 BCEDRO CC(C)[C@@H]([NH3+])CNc1nccc(C#N)n1 ZINC000231943078 351475503 /nfs/dbraw/zinc/47/55/03/351475503.db2.gz AKNJILFTKRWMQM-VIFPVBQESA-N 1 0 205.265 0.743 20 30 BCEDRO Cc1nn(C)c(C)c1CNC(=[NH2+])N(C)C1CC1 ZINC000273355954 351522194 /nfs/dbraw/zinc/52/21/94/351522194.db2.gz RIXYFYLHAPVCSJ-UHFFFAOYSA-N 1 0 235.335 0.946 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174150140 363056830 /nfs/dbraw/zinc/05/68/30/363056830.db2.gz JBNNFSSINNHRPK-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCOC1 ZINC000174150155 363057263 /nfs/dbraw/zinc/05/72/63/363057263.db2.gz JBNNFSSINNHRPK-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1c[nH]nc1C ZINC000336728078 351548396 /nfs/dbraw/zinc/54/83/96/351548396.db2.gz HYHFFXJKTUBZFE-SNVBAGLBSA-N 1 0 209.293 0.992 20 30 BCEDRO C[C@@H]([NH2+][C@H](C)c1cn[nH]c1)C(=O)N(C)CCC#N ZINC000274142248 351560940 /nfs/dbraw/zinc/56/09/40/351560940.db2.gz XKVBBMBSICFJNS-NXEZZACHSA-N 1 0 249.318 0.821 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000637871064 351737383 /nfs/dbraw/zinc/73/73/83/351737383.db2.gz ZEFHQNIMXLERPK-AAEUAGOBSA-N 1 0 238.331 0.954 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccc(OC)cn1 ZINC000278151943 351747802 /nfs/dbraw/zinc/74/78/02/351747802.db2.gz BYJTXRDXDAIEBL-UHFFFAOYSA-N 1 0 238.291 0.141 20 30 BCEDRO N#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000278777991 351782944 /nfs/dbraw/zinc/78/29/44/351782944.db2.gz NKEMEIINFUBVEF-BETUJISGSA-N 1 0 248.282 0.126 20 30 BCEDRO CO[C@H](C[NH3+])CC(=O)N(C)[C@H](C)CC#N ZINC000232120366 351832150 /nfs/dbraw/zinc/83/21/50/351832150.db2.gz XMNGWAHZCWSIQS-BDAKNGLRSA-N 1 0 213.281 0.111 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@]2(O)CCOC2)cc1C#N ZINC000191484154 180649943 /nfs/dbraw/zinc/64/99/43/180649943.db2.gz AKWLUBVIKMVKKP-LBPRGKRZSA-N 1 0 235.287 0.138 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@H](O)CC)C1=O ZINC000281171815 351878362 /nfs/dbraw/zinc/87/83/62/351878362.db2.gz AHOSVSNOSHAYPK-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO C#CCN(CC#N)C(=O)c1c[nH+]ccc1N(C)C ZINC000281964034 351918200 /nfs/dbraw/zinc/91/82/00/351918200.db2.gz KPWCLALNBMOEDN-UHFFFAOYSA-N 1 0 242.282 0.747 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638008769 351885940 /nfs/dbraw/zinc/88/59/40/351885940.db2.gz IEOYQAVRQFYNHN-ZYHUDNBSSA-N 1 0 226.320 0.823 20 30 BCEDRO C=CC[C@H](C)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638011114 351887364 /nfs/dbraw/zinc/88/73/64/351887364.db2.gz UTWOLYXAXMKWOF-QMMMGPOBSA-N 1 0 220.276 0.630 20 30 BCEDRO C#CCN(CC#N)CCn1ccnc1C ZINC000281360343 351888660 /nfs/dbraw/zinc/88/86/60/351888660.db2.gz LZPZMOPZNHNREN-UHFFFAOYSA-N 1 0 202.261 0.650 20 30 BCEDRO C#CCC[NH2+][C@H](C(N)=O)c1ccccc1 ZINC000264930148 187572099 /nfs/dbraw/zinc/57/20/99/187572099.db2.gz AHSDVNKXRPDBBS-NSHDSACASA-N 1 0 202.257 0.826 20 30 BCEDRO CC#CC[N@H+](C)CCCN1CCOCC1 ZINC000339763064 191147780 /nfs/dbraw/zinc/14/77/80/191147780.db2.gz KHHAQMVWIFIKPS-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO CN(CC#Cc1ccccc1)[C@@H]1COC[C@H]1O ZINC000285672940 352054775 /nfs/dbraw/zinc/05/47/75/352054775.db2.gz UKBFJAKZBUFYMV-ZIAGYGMSSA-N 1 0 231.295 0.730 20 30 BCEDRO C=CC[N@@H+](CCC(=O)NC(N)=O)C1CC1 ZINC000271530335 166339715 /nfs/dbraw/zinc/33/97/15/166339715.db2.gz XCZPNKMDDQINJK-UHFFFAOYSA-N 1 0 211.265 0.222 20 30 BCEDRO CCn1cc(CNC(=[NH2+])N(C)C2CC2)cn1 ZINC000285062216 352018944 /nfs/dbraw/zinc/01/89/44/352018944.db2.gz LZFRVUWWHOAXMS-UHFFFAOYSA-N 1 0 221.308 0.812 20 30 BCEDRO CCn1cc(CNC(=[NH2+])N[C@@H](C)COC)cn1 ZINC000285097077 352021428 /nfs/dbraw/zinc/02/14/28/352021428.db2.gz OIMNRDUSFAAPCI-VIFPVBQESA-N 1 0 239.323 0.342 20 30 BCEDRO Cc1cc(C)n(CCCNC2=[NH+]C[C@@H](C)N2)n1 ZINC000285133951 352023844 /nfs/dbraw/zinc/02/38/44/352023844.db2.gz QTXBMDACCRLFJZ-SNVBAGLBSA-N 1 0 235.335 0.827 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CCNC1=O ZINC000340222155 352078328 /nfs/dbraw/zinc/07/83/28/352078328.db2.gz NJJQIQYZHYDPQY-VHSXEESVSA-N 1 0 212.293 0.134 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627015787 363115353 /nfs/dbraw/zinc/11/53/53/363115353.db2.gz BPILZVDUHYUZDM-WDEREUQCSA-N 1 0 223.320 0.840 20 30 BCEDRO C=CCCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627022300 363117416 /nfs/dbraw/zinc/11/74/16/363117416.db2.gz CQSPFZOEMAENNR-UHFFFAOYSA-N 1 0 241.335 0.760 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638363413 352174132 /nfs/dbraw/zinc/17/41/32/352174132.db2.gz SUSGBZBOJWXGJR-SRVKXCTJSA-N 1 0 236.315 0.741 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627011920 363113018 /nfs/dbraw/zinc/11/30/18/363113018.db2.gz MPAWRZTWBHBLBT-VHSXEESVSA-N 1 0 227.308 0.239 20 30 BCEDRO C=CCCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627023467 363118492 /nfs/dbraw/zinc/11/84/92/363118492.db2.gz VDFPJJJQHAURCD-UHFFFAOYSA-N 1 0 241.335 0.760 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000631972214 363118869 /nfs/dbraw/zinc/11/88/69/363118869.db2.gz ADUFRPUHBWOTHS-BDAKNGLRSA-N 1 0 218.322 0.314 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)NCCOCC[NH2+]C ZINC000627027531 363120808 /nfs/dbraw/zinc/12/08/08/363120808.db2.gz ROQYZXSDVPKAMD-LLVKDONJSA-N 1 0 243.351 0.876 20 30 BCEDRO C=CCN(C(=O)C[C@H](C)[NH3+])[C@@H](C)COC ZINC000638407624 352213134 /nfs/dbraw/zinc/21/31/34/352213134.db2.gz SOLGSAWHKSNKSR-UWVGGRQHSA-N 1 0 214.309 0.773 20 30 BCEDRO C=CC[C@H]1CCCN(C(=O)[C@H]2OCC[C@H]2[NH3+])C1 ZINC000638409208 352218728 /nfs/dbraw/zinc/21/87/28/352218728.db2.gz NFDRYEIRQHIJHK-TUAOUCFPSA-N 1 0 238.331 0.917 20 30 BCEDRO C=CCOCCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638414327 352223156 /nfs/dbraw/zinc/22/31/56/352223156.db2.gz FFCMUWDLCRLTGW-NSHDSACASA-N 1 0 224.304 0.743 20 30 BCEDRO C#CCCCCC(=O)NC[C@H]1CN2CCN1CC2 ZINC000120039395 358469891 /nfs/dbraw/zinc/46/98/91/358469891.db2.gz PWNNMUOQCGKIEY-ZDUSSCGKSA-N 1 0 249.358 0.296 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000528048365 323752163 /nfs/dbraw/zinc/75/21/63/323752163.db2.gz KHLYCQYQMMASEV-LLVKDONJSA-N 1 0 246.376 0.822 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000638471593 352279840 /nfs/dbraw/zinc/27/98/40/352279840.db2.gz JBACUCMCKGTSGU-LLVKDONJSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000638471274 352281406 /nfs/dbraw/zinc/28/14/06/352281406.db2.gz AEFKVFOPXXLGFS-GHMZBOCLSA-N 1 0 224.304 0.399 20 30 BCEDRO C=CCNC(=[NH2+])NCC1(COC)CCOCC1 ZINC000291906836 352295098 /nfs/dbraw/zinc/29/50/98/352295098.db2.gz LPGQPYKFWNAKGZ-UHFFFAOYSA-N 1 0 241.335 0.520 20 30 BCEDRO N#Cc1cncnc1N[C@H]1CCC[NH2+]CC1 ZINC000304480969 363182630 /nfs/dbraw/zinc/18/26/30/363182630.db2.gz MXVLKWRKAGAPQY-JTQLQIEISA-N 1 0 217.276 0.902 20 30 BCEDRO C=CCN(CCC#N)C[C@H](O)COCC ZINC000292120147 352303301 /nfs/dbraw/zinc/30/33/01/352303301.db2.gz HYQPYBYBWYAHQX-NSHDSACASA-N 1 0 212.293 0.785 20 30 BCEDRO C=CCCOCC(=O)N(CC)CC[NH3+] ZINC000638520496 352353553 /nfs/dbraw/zinc/35/35/53/352353553.db2.gz SHIDACNZGBVARC-UHFFFAOYSA-N 1 0 200.282 0.386 20 30 BCEDRO C=CC[NH+]1CCC(NCc2ncnn2C)CC1 ZINC000638524707 352358709 /nfs/dbraw/zinc/35/87/09/352358709.db2.gz RHDVFVYIIAECNL-UHFFFAOYSA-N 1 0 235.335 0.555 20 30 BCEDRO CN(C)CC[N@H+](C)CCCN(C)CCC#N ZINC000411733135 191208491 /nfs/dbraw/zinc/20/84/91/191208491.db2.gz FLYBJOOYMXCGEW-UHFFFAOYSA-N 1 0 226.368 0.715 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638647338 352490959 /nfs/dbraw/zinc/49/09/59/352490959.db2.gz HXXJYXIEXHAXHW-NXEZZACHSA-N 1 0 212.293 0.446 20 30 BCEDRO Cn1cc(C[NH2+]C[C@H]2COCCO2)cc1C#N ZINC000232314885 352618703 /nfs/dbraw/zinc/61/87/03/352618703.db2.gz OPQLVZLLGZGCOM-LBPRGKRZSA-N 1 0 235.287 0.402 20 30 BCEDRO C[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)N(C)C ZINC000232314087 352617785 /nfs/dbraw/zinc/61/77/85/352617785.db2.gz JXDZMRDEVVEVPA-SECBINFHSA-N 1 0 234.303 0.463 20 30 BCEDRO CC#CCN1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000411899095 191227347 /nfs/dbraw/zinc/22/73/47/191227347.db2.gz AZGGPZYRJRIJCK-LLVKDONJSA-N 1 0 224.304 0.046 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@@]1(OC)CCOC1 ZINC000638756854 352686470 /nfs/dbraw/zinc/68/64/70/352686470.db2.gz DDRZHGVYMFURDF-LBPRGKRZSA-N 1 0 229.320 0.974 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@H](C)C[C@H](O)C2)C1=O ZINC000412035908 191247470 /nfs/dbraw/zinc/24/74/70/191247470.db2.gz VFQWCVSSNBIRCR-WOPDTQHZSA-N 1 0 238.331 0.476 20 30 BCEDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCCC#N ZINC000330363376 358473126 /nfs/dbraw/zinc/47/31/26/358473126.db2.gz AIXSCTTZEYWSKL-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO CC#CC[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000412083792 191255452 /nfs/dbraw/zinc/25/54/52/191255452.db2.gz SMVAODBNLWRPJT-SNVBAGLBSA-N 1 0 227.329 0.848 20 30 BCEDRO CC#CC[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000412088803 191255818 /nfs/dbraw/zinc/25/58/18/191255818.db2.gz SMPNKKVSPCLGCR-LLVKDONJSA-N 1 0 208.305 0.999 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000342877751 352885634 /nfs/dbraw/zinc/88/56/34/352885634.db2.gz XLEVCLNLTWROGD-VWYCJHECSA-N 1 0 223.320 0.945 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N(CC#N)C2CC2)C1 ZINC000334368579 353023134 /nfs/dbraw/zinc/02/31/34/353023134.db2.gz SOFGNRDCWMABJS-SECBINFHSA-N 1 0 207.277 0.453 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@@H](CC(C)C)OC ZINC000638847150 353027038 /nfs/dbraw/zinc/02/70/38/353027038.db2.gz MGEOPNIOCYBFBS-LLVKDONJSA-N 1 0 228.336 0.939 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@H](OC)[C@@H](C)CC ZINC000638847547 353027669 /nfs/dbraw/zinc/02/76/69/353027669.db2.gz SBKHKSLRCCWNRR-QWRGUYRKSA-N 1 0 228.336 0.939 20 30 BCEDRO C=CCOCC(=O)N1CCCCC[C@@H]([NH3+])C1 ZINC000638820891 353001234 /nfs/dbraw/zinc/00/12/34/353001234.db2.gz IGPJQNQHLMCGDK-LLVKDONJSA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000264376330 166365696 /nfs/dbraw/zinc/36/56/96/166365696.db2.gz BTRFMTXNBJVBLC-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638934672 353096827 /nfs/dbraw/zinc/09/68/27/353096827.db2.gz ABZPFGWSANSFBZ-UWVGGRQHSA-N 1 0 212.293 0.527 20 30 BCEDRO C=CCCn1cc(C(=O)N2C[C@H]([NH3+])C[C@@H]2C)nn1 ZINC000638929400 353099183 /nfs/dbraw/zinc/09/91/83/353099183.db2.gz OWLBUHPEPROSGT-VHSXEESVSA-N 1 0 249.318 0.416 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638939966 353124803 /nfs/dbraw/zinc/12/48/03/353124803.db2.gz TUVKBXVHQSFPCI-AXFHLTTASA-N 1 0 226.320 0.916 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C1CC1 ZINC000046601710 353146098 /nfs/dbraw/zinc/14/60/98/353146098.db2.gz PRGJSPIAIGAXRC-UHFFFAOYSA-N 1 0 211.265 0.092 20 30 BCEDRO COC[C@](C)(CCO)[NH2+]CC1(C#N)CC1 ZINC000336755722 353149526 /nfs/dbraw/zinc/14/95/26/353149526.db2.gz IFPBLBCCKQZTLT-JTQLQIEISA-N 1 0 212.293 0.667 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)CCC#N ZINC000330823503 353183707 /nfs/dbraw/zinc/18/37/07/353183707.db2.gz ODOHKAUFUWPVRS-JTQLQIEISA-N 1 0 245.348 0.304 20 30 BCEDRO C[C@@H](CC#N)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000330828876 353184359 /nfs/dbraw/zinc/18/43/59/353184359.db2.gz TWTVGCARFGLLSY-QWRGUYRKSA-N 1 0 239.319 0.373 20 30 BCEDRO C[N@@H+](CC(=O)NCC#N)C[C@@H]1CC=CCC1 ZINC000330846910 353193359 /nfs/dbraw/zinc/19/33/59/353193359.db2.gz OHSWKCNNDQEZKA-LLVKDONJSA-N 1 0 221.304 0.914 20 30 BCEDRO COC[C@H](CCO)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336762589 353204641 /nfs/dbraw/zinc/20/46/41/353204641.db2.gz NYJJRZNEUCNJMC-MXWKQRLJSA-N 1 0 212.293 0.666 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC[NH+]1CCCCC1 ZINC000330975922 353208539 /nfs/dbraw/zinc/20/85/39/353208539.db2.gz TZIWDTNNYZPTNG-CYBMUJFWSA-N 1 0 240.347 0.916 20 30 BCEDRO N#CCNC(=O)CN1CCC[C@H](c2ncc[nH]2)C1 ZINC000331001315 353210454 /nfs/dbraw/zinc/21/04/54/353210454.db2.gz QMZRDSPPGZAZRW-JTQLQIEISA-N 1 0 247.302 0.229 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000331163005 353224264 /nfs/dbraw/zinc/22/42/64/353224264.db2.gz GQGKOHYHYMADHQ-YPMHNXCESA-N 1 0 240.347 0.914 20 30 BCEDRO N#CCCC[N@@H+](CCO)C1CCOCC1 ZINC000331173237 353225182 /nfs/dbraw/zinc/22/51/82/353225182.db2.gz OUABQLKWJZDNAP-UHFFFAOYSA-N 1 0 212.293 0.763 20 30 BCEDRO C#CCN(C)CC(=O)Nc1cc(C)on1 ZINC000053814652 353251029 /nfs/dbraw/zinc/25/10/29/353251029.db2.gz WFKORBDMCGVMGK-UHFFFAOYSA-N 1 0 207.233 0.487 20 30 BCEDRO C=CCC[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000336764385 353255147 /nfs/dbraw/zinc/25/51/47/353255147.db2.gz PTRLLABPQLRFRY-LLVKDONJSA-N 1 0 213.277 0.874 20 30 BCEDRO C=C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000334049597 353256313 /nfs/dbraw/zinc/25/63/13/353256313.db2.gz GHVFZJLVRAXYJR-MNOVXSKESA-N 1 0 241.335 0.581 20 30 BCEDRO CO[C@H](C)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000331288046 353242480 /nfs/dbraw/zinc/24/24/80/353242480.db2.gz NAEOMHGUUGXKDV-ZJUUUORDSA-N 1 0 229.324 0.619 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000127388704 353270426 /nfs/dbraw/zinc/27/04/26/353270426.db2.gz RJFSSABPDBDNRS-DCAQKATOSA-N 1 0 226.320 0.692 20 30 BCEDRO CC(C)(C[NH2+][C@@H]1CC[C@@H](C#N)C1)C(N)=O ZINC000336767744 353276152 /nfs/dbraw/zinc/27/61/52/353276152.db2.gz TZWKOPRIERSAKI-RKDXNWHRSA-N 1 0 209.293 0.780 20 30 BCEDRO COC[C@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000070590264 353259870 /nfs/dbraw/zinc/25/98/70/353259870.db2.gz VVGHVQIFVNDZBR-CYBMUJFWSA-N 1 0 219.284 0.635 20 30 BCEDRO CC[C@H](C#N)Sc1nnnn1CC[NH+](C)C ZINC000127493127 353267457 /nfs/dbraw/zinc/26/74/57/353267457.db2.gz RQYHAVBUCWFAJM-MRVPVSSYSA-N 1 0 240.336 0.629 20 30 BCEDRO C=C(Cl)CNC(=O)C[C@H]1COCC[NH2+]1 ZINC000167959762 188232012 /nfs/dbraw/zinc/23/20/12/188232012.db2.gz INLJDMPDUYMESX-QMMMGPOBSA-N 1 0 218.684 0.234 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639029022 353291269 /nfs/dbraw/zinc/29/12/69/353291269.db2.gz RYUUDYWXJSDKAI-XYPYZODXSA-N 1 0 226.320 0.965 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H]1C ZINC000177881755 188252525 /nfs/dbraw/zinc/25/25/25/188252525.db2.gz CTABDBUOPOGCAI-MXWKQRLJSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)CC=C)CC1 ZINC000161772141 353295210 /nfs/dbraw/zinc/29/52/10/353295210.db2.gz HFOOJKRRDUBASG-UHFFFAOYSA-N 1 0 220.316 0.976 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C ZINC000273533078 188263779 /nfs/dbraw/zinc/26/37/79/188263779.db2.gz WSQCABVTNJILNK-UWVGGRQHSA-N 1 0 212.293 0.134 20 30 BCEDRO C#CCC[N@H+](CCC(=O)OC)CC(OC)OC ZINC000274321735 188264970 /nfs/dbraw/zinc/26/49/70/188264970.db2.gz OXLZQMXJVUHQKN-UHFFFAOYSA-N 1 0 243.303 0.494 20 30 BCEDRO C#C[C@H](C)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000274776258 188265131 /nfs/dbraw/zinc/26/51/31/188265131.db2.gz KPLKNMSIOWADRV-JQWIXIFHSA-N 1 0 216.284 0.694 20 30 BCEDRO CC#CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000277515784 188266812 /nfs/dbraw/zinc/26/68/12/188266812.db2.gz SVCJFRSHPRWZEQ-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[C@H]([NH3+])CC2)nn1 ZINC000639032251 353301872 /nfs/dbraw/zinc/30/18/72/353301872.db2.gz PEKMQWRDJYAYPN-MGCOHNPYSA-N 1 0 249.318 0.464 20 30 BCEDRO N#Cc1cnc(NCC[NH+]2CCCC2)cn1 ZINC000071178108 188305618 /nfs/dbraw/zinc/30/56/18/188305618.db2.gz RCELLFXCSTVWRD-UHFFFAOYSA-N 1 0 217.276 0.856 20 30 BCEDRO Cn1cc(C[NH2+]C2(CO)CC2)cc1C#N ZINC000189598540 353306363 /nfs/dbraw/zinc/30/63/63/353306363.db2.gz XQPUHFLCHUWNTP-UHFFFAOYSA-N 1 0 205.261 0.511 20 30 BCEDRO C=C(C)C[NH+]1CCC(NC(=O)NCCO)CC1 ZINC000264427424 188259580 /nfs/dbraw/zinc/25/95/80/188259580.db2.gz WDQZOILJFGRQNS-UHFFFAOYSA-N 1 0 241.335 0.318 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000639044243 353331594 /nfs/dbraw/zinc/33/15/94/353331594.db2.gz IGKXTMLHNGJRGM-QJPTWQEYSA-N 1 0 229.320 0.565 20 30 BCEDRO C#CCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000162695909 353324045 /nfs/dbraw/zinc/32/40/45/353324045.db2.gz ZCNMVDMMJKRULB-SNVBAGLBSA-N 1 0 209.293 0.213 20 30 BCEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC ZINC000076734128 353340734 /nfs/dbraw/zinc/34/07/34/353340734.db2.gz NVLVSOGNDSGNAN-VIFPVBQESA-N 1 0 227.308 0.729 20 30 BCEDRO C=CCNC(=O)C[NH2+]CCC1CCOCC1 ZINC000393820356 353387002 /nfs/dbraw/zinc/38/70/02/353387002.db2.gz PWHUUZLKRVGDHT-UHFFFAOYSA-N 1 0 226.320 0.695 20 30 BCEDRO CC#CCC[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000281263485 353440268 /nfs/dbraw/zinc/44/02/68/353440268.db2.gz VNYWMHXALNTYGR-LBPRGKRZSA-N 1 0 208.305 0.858 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)c2cnn(C)c2)C1=O ZINC000281395099 353446085 /nfs/dbraw/zinc/44/60/85/353446085.db2.gz PZFQPRGYALJRDT-JQWIXIFHSA-N 1 0 248.330 0.858 20 30 BCEDRO CC#CCCCC(=O)N1CC([NH+](C)C)C1 ZINC000274524971 188378256 /nfs/dbraw/zinc/37/82/56/188378256.db2.gz PRCNQXFUEHIUBS-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCN(C)CC(=O)Nc1nncs1 ZINC000276820159 188380232 /nfs/dbraw/zinc/38/02/32/188380232.db2.gz PCTWJCZFLQUXKA-UHFFFAOYSA-N 1 0 210.262 0.042 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@](C)(O)C2)C1=O ZINC000282078979 353462663 /nfs/dbraw/zinc/46/26/63/353462663.db2.gz UHQBEMOCAHVQGM-JQWIXIFHSA-N 1 0 224.304 0.230 20 30 BCEDRO C=CCN1CC[C@H]([NH+]2CCC(O)CC2)C1=O ZINC000282075067 353462795 /nfs/dbraw/zinc/46/27/95/353462795.db2.gz TWEMUTUGRQAEPJ-NSHDSACASA-N 1 0 224.304 0.230 20 30 BCEDRO C#C[C@H](NC(=O)/C=C/C[NH+](C)C)C(C)C ZINC000282147339 353464554 /nfs/dbraw/zinc/46/45/54/353464554.db2.gz QESBKGMZIVWYIX-AEZGRPFRSA-N 1 0 208.305 0.878 20 30 BCEDRO C#C[C@H](NC(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC000282196053 353464948 /nfs/dbraw/zinc/46/49/48/353464948.db2.gz SNSWBKYGICNMNK-WDEREUQCSA-N 1 0 208.305 0.855 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)COC)C1=O ZINC000281895640 353467077 /nfs/dbraw/zinc/46/70/77/353467077.db2.gz FEYFVWWBPOCFAD-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO C#CCCNC(=O)C(C)(C)N1CCOCC1 ZINC000283086456 353495295 /nfs/dbraw/zinc/49/52/95/353495295.db2.gz FCWNHWBDBUEXLP-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO CC#CCC[N@@H+](CCC)[C@@H]1CC(=O)N(C)C1=O ZINC000282482469 353480331 /nfs/dbraw/zinc/48/03/31/353480331.db2.gz LVHPLZZACJOUQX-LLVKDONJSA-N 1 0 236.315 0.869 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](CC)CC(N)=O ZINC000191732653 353506867 /nfs/dbraw/zinc/50/68/67/353506867.db2.gz JOBULDQMQVVOQG-SECBINFHSA-N 1 0 200.282 0.121 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CC)CC(N)=O ZINC000191732670 353506889 /nfs/dbraw/zinc/50/68/89/353506889.db2.gz JOBULDQMQVVOQG-VIFPVBQESA-N 1 0 200.282 0.121 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(C)n2)CC1 ZINC000284111945 353508836 /nfs/dbraw/zinc/50/88/36/353508836.db2.gz UXNJUCGIOBXDQD-UHFFFAOYSA-N 1 0 249.318 0.195 20 30 BCEDRO C[C@H]1C[N@H+](CCCSCC#N)C[C@H](CO)O1 ZINC000191787335 353511039 /nfs/dbraw/zinc/51/10/39/353511039.db2.gz ZFTRATKODZGJSO-WDEREUQCSA-N 1 0 244.360 0.715 20 30 BCEDRO C#CCCCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000191958001 353523748 /nfs/dbraw/zinc/52/37/48/353523748.db2.gz HPHCVRNXHNCMSU-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO CN(C)C[C@](C)(C#N)NC(=O)c1ccccn1 ZINC000563809409 353536007 /nfs/dbraw/zinc/53/60/07/353536007.db2.gz OPNNCZHIBHVLPS-LBPRGKRZSA-N 1 0 232.287 0.655 20 30 BCEDRO C#CCCCC(=O)NCC[N@H+](CC)CCO ZINC000192213825 353536930 /nfs/dbraw/zinc/53/69/30/353536930.db2.gz WPPJUZQAJNYOML-UHFFFAOYSA-N 1 0 226.320 0.220 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)C[C@@H](C)OC ZINC000285684310 353539189 /nfs/dbraw/zinc/53/91/89/353539189.db2.gz NHWVMLTUQDAXNY-SECBINFHSA-N 1 0 200.282 0.255 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)OC ZINC000285492829 353544245 /nfs/dbraw/zinc/54/42/45/353544245.db2.gz CIZILUHHDICANN-UWVGGRQHSA-N 1 0 214.309 0.644 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)OC ZINC000285867146 353547011 /nfs/dbraw/zinc/54/70/11/353547011.db2.gz XYWNDIVJZZPMOU-VHSXEESVSA-N 1 0 212.293 0.091 20 30 BCEDRO CC#CC(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000283739716 353502835 /nfs/dbraw/zinc/50/28/35/353502835.db2.gz GRUDHAUEYGNGIG-LLVKDONJSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000287456568 353583161 /nfs/dbraw/zinc/58/31/61/353583161.db2.gz QYAHGIVSCUJQRN-LLVKDONJSA-N 1 0 206.289 0.564 20 30 BCEDRO C#CC(C)(C)[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000286101326 353557184 /nfs/dbraw/zinc/55/71/84/353557184.db2.gz LAUOVPUAIWSLGE-NSHDSACASA-N 1 0 221.304 0.588 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289479192 353629380 /nfs/dbraw/zinc/62/93/80/353629380.db2.gz ROAPPEOGZIHRQQ-QMMMGPOBSA-N 1 0 208.265 0.463 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289518401 353630441 /nfs/dbraw/zinc/63/04/41/353630441.db2.gz VNBOHVHVCGRXTK-JTQLQIEISA-N 1 0 234.303 0.691 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@H]1CCC[N@H+]1C ZINC000289579618 353632726 /nfs/dbraw/zinc/63/27/26/353632726.db2.gz DUTKBMCSFNETIV-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO C#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000289714181 353637399 /nfs/dbraw/zinc/63/73/99/353637399.db2.gz ODFFACUHFWEJIR-BETUJISGSA-N 1 0 217.268 0.205 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000289906407 353642808 /nfs/dbraw/zinc/64/28/08/353642808.db2.gz RLGJEBHWTYDEGT-GFCCVEGCSA-N 1 0 234.299 0.683 20 30 BCEDRO C=CC[N@H+](CCN1CCNC1=O)C1CC1 ZINC000290119348 353648975 /nfs/dbraw/zinc/64/89/75/353648975.db2.gz YWFZIVKGCUANIQ-UHFFFAOYSA-N 1 0 209.293 0.662 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](CC)C(C)C ZINC000194085506 353618050 /nfs/dbraw/zinc/61/80/50/353618050.db2.gz HAJWCDZZZQXTIU-UHFFFAOYSA-N 1 0 227.308 0.729 20 30 BCEDRO C=C[C@H](CO)NC(=O)C[NH+]1CCC(C)CC1 ZINC000290632177 353666257 /nfs/dbraw/zinc/66/62/57/353666257.db2.gz PKCOGTDSYWIOLH-LLVKDONJSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000290617097 353673326 /nfs/dbraw/zinc/67/33/26/353673326.db2.gz OGZIREFGYNJZSE-DCAQKATOSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CS[C@H](C)C1 ZINC000393836362 353673926 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LELWHBZWWOQPHD-AXFHLTTASA-N 1 0 239.319 0.239 20 30 BCEDRO C#Cc1ccc(C[N@H+]2CCOC[C@@H](O)C2)cc1 ZINC000294835756 353790254 /nfs/dbraw/zinc/79/02/54/353790254.db2.gz QJZJMRWBVHNVGS-AWEZNQCLSA-N 1 0 231.295 0.861 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2cc[nH]n2)CC1 ZINC000294888759 353792510 /nfs/dbraw/zinc/79/25/10/353792510.db2.gz FYGCMTQTFMWUMY-UHFFFAOYSA-N 1 0 218.304 0.551 20 30 BCEDRO C#C[C@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000185355239 353794530 /nfs/dbraw/zinc/79/45/30/353794530.db2.gz FDRZQCLQOVITEF-VIFPVBQESA-N 1 0 217.272 0.899 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000185961918 353860490 /nfs/dbraw/zinc/86/04/90/353860490.db2.gz COWMNRBTUGFJKK-ZJUUUORDSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000185961898 353861375 /nfs/dbraw/zinc/86/13/75/353861375.db2.gz COWMNRBTUGFJKK-UWVGGRQHSA-N 1 0 209.293 0.402 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000343422060 353881355 /nfs/dbraw/zinc/88/13/55/353881355.db2.gz 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207.277 0.358 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000301018586 363296557 /nfs/dbraw/zinc/29/65/57/363296557.db2.gz IXEKIYLEKWLANC-WDEREUQCSA-N 1 0 226.320 0.740 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCS2(=O)=O)C1 ZINC000328600673 181061103 /nfs/dbraw/zinc/06/11/03/181061103.db2.gz DESBAXIZYUCRSQ-MXWKQRLJSA-N 1 0 242.344 0.845 20 30 BCEDRO C=CCCCN(C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418771687 358483361 /nfs/dbraw/zinc/48/33/61/358483361.db2.gz RTWXVFAQPQHMIK-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO N#CC1(C[N@H+]2C[C@@H]3CC[C@H](O)[C@@H]3C2)CC1 ZINC000344051518 354123192 /nfs/dbraw/zinc/12/31/92/354123192.db2.gz IEDQQHXEBVMKRR-AXFHLTTASA-N 1 0 206.289 0.993 20 30 BCEDRO CCC[N@H+](C)CC(=O)N[C@@]1(C#N)CCOC1 ZINC000358452487 535254952 /nfs/dbraw/zinc/25/49/52/535254952.db2.gz UDLZTPWMLBFJCO-LLVKDONJSA-N 1 0 225.292 0.127 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000344120946 354144152 /nfs/dbraw/zinc/14/41/52/354144152.db2.gz DHEJTHLSOUCFRH-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)c[nH]1 ZINC000181289916 181082998 /nfs/dbraw/zinc/08/29/98/181082998.db2.gz GSNGMIDBNZQBBO-LBPRGKRZSA-N 1 0 244.298 0.807 20 30 BCEDRO CC[C@]1(C)CC[N@H+](CC(=O)NCC#N)C1 ZINC000344210178 354164978 /nfs/dbraw/zinc/16/49/78/354164978.db2.gz ADZNTDXUAVUYPN-LLVKDONJSA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC[C@@H]([NH3+])C2)C1=O ZINC000334587507 354212885 /nfs/dbraw/zinc/21/28/85/354212885.db2.gz OJRDNOQDNIKJPQ-GHMZBOCLSA-N 1 0 223.320 0.196 20 30 BCEDRO C[C@@]1([NH2+]CC(=O)NCC#N)CCO[C@H]1C1CC1 ZINC000344368081 354244236 /nfs/dbraw/zinc/24/42/36/354244236.db2.gz XKVONHCKVYAFGE-NWDGAFQWSA-N 1 0 237.303 0.173 20 30 BCEDRO C=CC[C@H](C)NC(=O)C[C@H](C[NH3+])OC ZINC000232125186 363364169 /nfs/dbraw/zinc/36/41/69/363364169.db2.gz OVPDRRXBAIDHAY-DTWKUNHWSA-N 1 0 200.282 0.431 20 30 BCEDRO CC#CCCCC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000344390016 354258654 /nfs/dbraw/zinc/25/86/54/354258654.db2.gz QZBUDFFOFVSOKK-CYBMUJFWSA-N 1 0 238.331 0.363 20 30 BCEDRO CC#CCCCC(=O)NCCOCC[NH+](C)C ZINC000344395708 354259738 /nfs/dbraw/zinc/25/97/38/354259738.db2.gz IYRUGMCFPJKYQK-UHFFFAOYSA-N 1 0 240.347 0.874 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331742423 134001430 /nfs/dbraw/zinc/00/14/30/134001430.db2.gz BIMCXYXGZJFSGO-UWVGGRQHSA-N 1 0 221.304 0.747 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@@H](C[NH3+])C2)cc1 ZINC000050246269 181097776 /nfs/dbraw/zinc/09/77/76/181097776.db2.gz VQDHVWWPFIFLIY-NSHDSACASA-N 1 0 229.283 0.979 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000050246268 181098447 /nfs/dbraw/zinc/09/84/47/181098447.db2.gz VQDHVWWPFIFLIY-LLVKDONJSA-N 1 0 229.283 0.979 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000344515871 354292247 /nfs/dbraw/zinc/29/22/47/354292247.db2.gz MVMMEMAMCZOCLD-JTQLQIEISA-N 1 0 232.349 0.706 20 30 BCEDRO C=CCOCCC[N@@H+]1C[C@H](OC)C[C@@H]1C(N)=O ZINC000344558245 354295980 /nfs/dbraw/zinc/29/59/80/354295980.db2.gz XWVQPLFLBVXFPH-GHMZBOCLSA-N 1 0 242.319 0.154 20 30 BCEDRO N#Cc1ccc(CNC[C@@H](O)C[NH+]2CCCC2)o1 ZINC000266200404 181108655 /nfs/dbraw/zinc/10/86/55/181108655.db2.gz LBGRNIUSPQRGBS-LLVKDONJSA-N 1 0 249.314 0.698 20 30 BCEDRO C=CCCCC(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000344622215 354327999 /nfs/dbraw/zinc/32/79/99/354327999.db2.gz AUEHYFPEJQSIKI-UWVGGRQHSA-N 1 0 212.293 0.039 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@]2(O)CCOC2)o1 ZINC000126194287 181108727 /nfs/dbraw/zinc/10/87/27/181108727.db2.gz KTMKVSJAXXCBMS-NSHDSACASA-N 1 0 222.244 0.392 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC(=O)NC2)cc1 ZINC000110910933 181109378 /nfs/dbraw/zinc/10/93/78/181109378.db2.gz BGLQLFGRGAMRQG-GFCCVEGCSA-N 1 0 229.283 0.926 20 30 BCEDRO N#Cc1ccc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)cc1 ZINC000286732851 181104851 /nfs/dbraw/zinc/10/48/51/181104851.db2.gz BROXCRHWWMNLMA-ZIAGYGMSSA-N 1 0 246.310 0.876 20 30 BCEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@@H]3C2)o1 ZINC000368214250 181104925 /nfs/dbraw/zinc/10/49/25/181104925.db2.gz FBTLWYNPHPBSFT-SKDRFNHKSA-N 1 0 245.282 0.719 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)s1 ZINC000157186850 181105544 /nfs/dbraw/zinc/10/55/44/181105544.db2.gz RDCVICBSTSWOHV-MRVPVSSYSA-N 1 0 235.312 0.927 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@H](NC(N)=O)C2)cc1 ZINC000270623422 181106073 /nfs/dbraw/zinc/10/60/73/181106073.db2.gz KHCNJYXBORRJJP-LBPRGKRZSA-N 1 0 244.298 0.801 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@]1(C#N)CC1(C)C ZINC000334631327 354374517 /nfs/dbraw/zinc/37/45/17/354374517.db2.gz MNVBGUZOVLFGFR-JOYOIKCWSA-N 1 0 221.304 0.889 20 30 BCEDRO N#Cc1ccc(N2CC[C@@H]([NH+]3CC=CC3)C2)nn1 ZINC000302014255 181116197 /nfs/dbraw/zinc/11/61/97/181116197.db2.gz XKZUHOXOVDQBNK-GFCCVEGCSA-N 1 0 241.298 0.799 20 30 BCEDRO C[C@@H]1C[N@H+](C)CCN1c1ccc(C#N)c(N)n1 ZINC000578026576 366191435 /nfs/dbraw/zinc/19/14/35/366191435.db2.gz YMKIAMJTTKKOJW-SECBINFHSA-N 1 0 231.303 0.676 20 30 BCEDRO CCN(CC#N)C(=O)C[N@H+](CC)C1CC1 ZINC000349429079 366194366 /nfs/dbraw/zinc/19/43/66/366194366.db2.gz FKXWYMKEAUBZMX-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@H](O)CO)c1 ZINC000037749355 181138387 /nfs/dbraw/zinc/13/83/87/181138387.db2.gz YSJRQCZMFDNALT-NSHDSACASA-N 1 0 206.245 0.001 20 30 BCEDRO C=C(CC)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000334701413 354494269 /nfs/dbraw/zinc/49/42/69/354494269.db2.gz MHUKLSSHNNGRSS-DTORHVGOSA-N 1 0 208.261 0.157 20 30 BCEDRO N#Cc1cccc(NC[C@@H]2CN3CCN2CC3)n1 ZINC000339222476 181141441 /nfs/dbraw/zinc/14/14/41/181141441.db2.gz YKPKQPVVYLHPLT-GFCCVEGCSA-N 1 0 243.314 0.365 20 30 BCEDRO CC[NH+]=C(NC[C@]1(O)CCSC1)NC(C)C ZINC000262403908 535264270 /nfs/dbraw/zinc/26/42/70/535264270.db2.gz OFGDOLGIAPEACR-LLVKDONJSA-N 1 0 245.392 0.818 20 30 BCEDRO C[NH+]1CCC(CNC(=O)NCCCC#N)CC1 ZINC000345574950 354700204 /nfs/dbraw/zinc/70/02/04/354700204.db2.gz PWLMAQFREBOJNJ-UHFFFAOYSA-N 1 0 238.335 0.931 20 30 BCEDRO CC[NH+](CC)[C@@H](C)CNC(=O)[C@@H](C)C#N ZINC000345816992 354785680 /nfs/dbraw/zinc/78/56/80/354785680.db2.gz ONZJJSQSIHQRNG-UWVGGRQHSA-N 1 0 211.309 0.993 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)NCCCC#N ZINC000345819108 354787821 /nfs/dbraw/zinc/78/78/21/354787821.db2.gz RZSQTHICEXZHJL-UHFFFAOYSA-N 1 0 212.297 0.493 20 30 BCEDRO CC#CCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000335137992 354788668 /nfs/dbraw/zinc/78/86/68/354788668.db2.gz JXJJYJOALFEHDC-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627161453 363402479 /nfs/dbraw/zinc/40/24/79/363402479.db2.gz SLZJKXMZADBMPF-GARJFASQSA-N 1 0 241.335 0.363 20 30 BCEDRO C=CC[C@H](C)NC(=O)NCC1([NH3+])CCOCC1 ZINC000627152830 363391802 /nfs/dbraw/zinc/39/18/02/363391802.db2.gz GRUMYNJGKUSGNE-JTQLQIEISA-N 1 0 241.335 0.758 20 30 BCEDRO N#Cc1ccnc(N2CCC[N@@H+](CCO)CC2)c1 ZINC000071349641 181155833 /nfs/dbraw/zinc/15/58/33/181155833.db2.gz FFNGLICNKQQDFD-UHFFFAOYSA-N 1 0 246.314 0.458 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000346311145 354892888 /nfs/dbraw/zinc/89/28/88/354892888.db2.gz LCRMGISQUQGUNX-AAEUAGOBSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCOCC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000346898274 355148300 /nfs/dbraw/zinc/14/83/00/355148300.db2.gz KULFLCNAXMMBFQ-UHFFFAOYSA-N 1 0 226.320 0.742 20 30 BCEDRO N#Cc1nccnc1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000054378181 181175086 /nfs/dbraw/zinc/17/50/86/181175086.db2.gz KXPMNZBIAUMRCK-SECBINFHSA-N 1 0 229.287 0.997 20 30 BCEDRO [NH2+]=C(NCC(F)(F)CO)NC1CCCCC1 ZINC000184823940 181179519 /nfs/dbraw/zinc/17/95/19/181179519.db2.gz VFVGQNRJGCNCKK-UHFFFAOYSA-N 1 0 235.278 0.851 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNc1ccnc(C#N)n1 ZINC000383747713 355275479 /nfs/dbraw/zinc/27/54/79/355275479.db2.gz JIUKULQPKVIOHX-SNVBAGLBSA-N 1 0 231.303 0.666 20 30 BCEDRO C=CCNC(=O)CN1CC[N@@H+](C)CC1(C)C ZINC000347599768 355251823 /nfs/dbraw/zinc/25/18/23/355251823.db2.gz KLEVGSWPXIOCBQ-UHFFFAOYSA-N 1 0 225.336 0.315 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CCOC)CC(C)C ZINC000491622499 491079327 /nfs/dbraw/zinc/07/93/27/491079327.db2.gz PCTAIRXCKFKLBC-UHFFFAOYSA-N 1 0 240.347 0.730 20 30 BCEDRO C[C@@H]1[C@H]([NH+]2CCCC2)CCN1C(=O)CC#N ZINC000335798309 355455906 /nfs/dbraw/zinc/45/59/06/355455906.db2.gz ZVQCGVWEJGFJIC-GHMZBOCLSA-N 1 0 221.304 0.985 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C1CCN(CCOC)CC1 ZINC000349826823 355486032 /nfs/dbraw/zinc/48/60/32/355486032.db2.gz ASPYGIQILYCSAJ-ZDUSSCGKSA-N 1 0 242.363 0.624 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCCCO ZINC000349948885 355534397 /nfs/dbraw/zinc/53/43/97/355534397.db2.gz XKIRJQHTPABSLM-LLVKDONJSA-N 1 0 241.335 0.451 20 30 BCEDRO N#CCCCC(=O)N1CC[NH+]2CCC1CC2 ZINC000335828171 355554257 /nfs/dbraw/zinc/55/42/57/355554257.db2.gz RKSMNTDUQNGXRL-UHFFFAOYSA-N 1 0 221.304 0.987 20 30 BCEDRO C=C(C)CC[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000352045020 134046195 /nfs/dbraw/zinc/04/61/95/134046195.db2.gz IKOZWOZKKWIGAZ-LLVKDONJSA-N 1 0 246.376 0.953 20 30 BCEDRO C=CCSCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417345401 191789714 /nfs/dbraw/zinc/78/97/14/191789714.db2.gz RSIJRCJKAUCNSY-SECBINFHSA-N 1 0 229.349 0.567 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)Cc1ccccc1O ZINC000109772306 355858178 /nfs/dbraw/zinc/85/81/78/355858178.db2.gz BWRFEPHTYAAZDP-LLVKDONJSA-N 1 0 246.310 0.962 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000107822874 355831059 /nfs/dbraw/zinc/83/10/59/355831059.db2.gz DQNQWOMLQFRTOR-ZJUUUORDSA-N 1 0 240.303 0.172 20 30 BCEDRO CN1CCO[C@H](C(=O)N[C@H]2CNC(=O)C2)C1 ZINC000329257654 355908263 /nfs/dbraw/zinc/90/82/63/355908263.db2.gz CBKDWPDSXCBRMD-SFYZADRCSA-N 1 0 227.264 0.002 20 30 BCEDRO OCC(CO)[NH2+]CC#Cc1ccc(Cl)cc1 ZINC000583638575 355939498 /nfs/dbraw/zinc/93/94/98/355939498.db2.gz ANTBEONHHVZEAF-UHFFFAOYSA-N 1 0 239.702 0.634 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CO)C1 ZINC000216461530 355995287 /nfs/dbraw/zinc/99/52/87/355995287.db2.gz FUGDTNOOFBIZME-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO CCN(CCC#N)CCN1CCOC[C@H]1C ZINC000351496528 356002365 /nfs/dbraw/zinc/00/23/65/356002365.db2.gz XCFKABUECWISKU-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO CC#CCCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418037814 191957245 /nfs/dbraw/zinc/95/72/45/191957245.db2.gz XRNWKOSIESTFDF-NSHDSACASA-N 1 0 223.320 0.699 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000351591050 356024600 /nfs/dbraw/zinc/02/46/00/356024600.db2.gz AWRBVCOBCUTPLL-LLVKDONJSA-N 1 0 246.314 0.995 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)NCC#Cc1cccc(F)c1 ZINC000418150676 191991793 /nfs/dbraw/zinc/99/17/93/191991793.db2.gz DFLQSEGXAFJIGS-JTQLQIEISA-N 1 0 249.289 0.824 20 30 BCEDRO C[C@@H]1C[N@H+](CCCSCC#N)C[C@H]1O ZINC000351806591 356088060 /nfs/dbraw/zinc/08/80/60/356088060.db2.gz FWSKMKZQDBENOJ-NXEZZACHSA-N 1 0 214.334 0.946 20 30 BCEDRO C[C@@H]1CN(C[C@@H](C#N)CCC#N)C[C@@H]1O ZINC000351806228 356088763 /nfs/dbraw/zinc/08/87/63/356088763.db2.gz DQFWDPDUVCWSBX-MXWKQRLJSA-N 1 0 207.277 0.743 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418242709 192003471 /nfs/dbraw/zinc/00/34/71/192003471.db2.gz MHJLPWSRHFZOHM-LLVKDONJSA-N 1 0 240.351 0.155 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H]([NH3+])CC ZINC000418242356 192003966 /nfs/dbraw/zinc/00/39/66/192003966.db2.gz AMQJHGJKIIZWAT-AXFHLTTASA-N 1 0 241.335 0.757 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418255394 192005808 /nfs/dbraw/zinc/00/58/08/192005808.db2.gz CAVLDCLSQUVKMC-SNVBAGLBSA-N 1 0 211.309 0.989 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418253813 192008115 /nfs/dbraw/zinc/00/81/15/192008115.db2.gz PZPSQMLDAOKHGG-ZDCRXTMVSA-N 1 0 241.335 0.755 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418265502 192009897 /nfs/dbraw/zinc/00/98/97/192009897.db2.gz NRJQVGLVLZKEGZ-NSHDSACASA-N 1 0 240.351 0.155 20 30 BCEDRO CC#CCN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000351892238 356159415 /nfs/dbraw/zinc/15/94/15/356159415.db2.gz MQOXTLWMJCSSGW-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO CC(C)(CC#N)CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418272778 192010631 /nfs/dbraw/zinc/01/06/31/192010631.db2.gz AUOGNXZQHZKMMY-SNVBAGLBSA-N 1 0 238.335 0.977 20 30 BCEDRO Cc1nnccc1NC(=O)N1CC[C@@H]([NH+](C)C)C1 ZINC000330098029 356171024 /nfs/dbraw/zinc/17/10/24/356171024.db2.gz BISNBCFVALOOQX-SNVBAGLBSA-N 1 0 249.318 0.966 20 30 BCEDRO C=CCN(C(=O)[C@H](C)[NH+](C)C)[C@@H](C)COC ZINC000617579473 356148267 /nfs/dbraw/zinc/14/82/67/356148267.db2.gz FARWUIDDMMRUTO-QWRGUYRKSA-N 1 0 228.336 0.986 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC1([NH3+])CCCCC1 ZINC000418294117 192019116 /nfs/dbraw/zinc/01/91/16/192019116.db2.gz GSNJHUDCJUGAOG-SNVBAGLBSA-N 1 0 241.335 0.494 20 30 BCEDRO C[C@H]1OCC[C@H]1NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000330195805 356181320 /nfs/dbraw/zinc/18/13/20/356181320.db2.gz ZUYBDOPXZASSQF-GMTAPVOTSA-N 1 0 241.335 0.762 20 30 BCEDRO CC#CCN1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000375484062 192017178 /nfs/dbraw/zinc/01/71/78/192017178.db2.gz NJHZIJFPNFXFET-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO N#Cc1cccc(C#N)c1NC[C@@H]1C[NH2+]CCO1 ZINC000420272356 192196379 /nfs/dbraw/zinc/19/63/79/192196379.db2.gz CFWJUHAZDKQGJG-LBPRGKRZSA-N 1 0 242.282 0.830 20 30 BCEDRO C[C@H]1C[C@H](Nc2ncncc2C#N)CC[N@@H+]1C ZINC000384099414 356306387 /nfs/dbraw/zinc/30/63/87/356306387.db2.gz APIXWONEWKVCOJ-GXSJLCMTSA-N 1 0 231.303 0.665 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC[C@H]2C[NH2+]C)C1=O ZINC000420289719 192200663 /nfs/dbraw/zinc/20/06/63/192200663.db2.gz KWRGVOYXOXLXSC-NWDGAFQWSA-N 1 0 237.347 0.457 20 30 BCEDRO C=CCN1CC[C@@H](N2CCCC[C@@H]2C[NH3+])C1=O ZINC000420288439 192200723 /nfs/dbraw/zinc/20/07/23/192200723.db2.gz HAAARLBAAVMKLP-VXGBXAGGSA-N 1 0 237.347 0.587 20 30 BCEDRO C=CCN1CC[C@@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)C1=O ZINC000420289135 192201625 /nfs/dbraw/zinc/20/16/25/192201625.db2.gz HRNHGWRYQGTBSF-GRYCIOLGSA-N 1 0 237.347 0.456 20 30 BCEDRO C=CCN1CC[C@@H](N(C)CC(C)(C)C[NH3+])C1=O ZINC000420288865 192202274 /nfs/dbraw/zinc/20/22/74/192202274.db2.gz JPKVNTCCJGFGGR-LLVKDONJSA-N 1 0 239.363 0.690 20 30 BCEDRO C=CCN1CC[C@H](N2[C@H](C)C[NH2+]C[C@@H]2C)C1=O ZINC000420305507 192208572 /nfs/dbraw/zinc/20/85/72/192208572.db2.gz GMVWWTZCDSUWJT-TUAOUCFPSA-N 1 0 237.347 0.456 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](CC)C[C@H](C)O)C1=O ZINC000352195655 134098882 /nfs/dbraw/zinc/09/88/82/134098882.db2.gz SFHJAFSMUOVKIS-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000420324350 192228925 /nfs/dbraw/zinc/22/89/25/192228925.db2.gz ZKZLOPWIGHAANO-XQQFMLRXSA-N 1 0 249.358 0.457 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@H]3[NH2+]CC[C@H]3C2)C1=O ZINC000420324347 192229252 /nfs/dbraw/zinc/22/92/52/192229252.db2.gz ZKZLOPWIGHAANO-AVGNSLFASA-N 1 0 249.358 0.457 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1CCC1 ZINC000580407987 358502092 /nfs/dbraw/zinc/50/20/92/358502092.db2.gz FDZLHGJPSBGJRC-GFCCVEGCSA-N 1 0 225.336 0.582 20 30 BCEDRO C=CCN1CC[C@@H](N[C@@H](C[NH3+])C(C)(C)C)C1=O ZINC000420364911 192223402 /nfs/dbraw/zinc/22/34/02/192223402.db2.gz PNQJLNCUSKQATP-MNOVXSKESA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCNC(=O)CN[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420365173 192224315 /nfs/dbraw/zinc/22/43/15/192224315.db2.gz KWOAFWRYGBCFGF-HOSYDEDBSA-N 1 0 225.336 0.265 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000420453333 192242847 /nfs/dbraw/zinc/24/28/47/192242847.db2.gz BWCZLFZAUBKHBV-GHMZBOCLSA-N 1 0 246.376 0.809 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000420445742 192243334 /nfs/dbraw/zinc/24/33/34/192243334.db2.gz SNQCTIRYCWOYGN-YUMQZZPRSA-N 1 0 206.311 0.218 20 30 BCEDRO C[C@H](CC#N)N[C@@H]1CCN(c2cnn(C)c2)C1=O ZINC000609804210 356474023 /nfs/dbraw/zinc/47/40/23/356474023.db2.gz FCIHUMKGEAJLST-MWLCHTKSSA-N 1 0 247.302 0.417 20 30 BCEDRO C[C@H]1CO[C@H](CO)CN1CC1(CC#N)CC1 ZINC000088092323 356494405 /nfs/dbraw/zinc/49/44/05/356494405.db2.gz VWFDGSLQRZMVKN-QWRGUYRKSA-N 1 0 224.304 0.762 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)CC1(O)CCOCC1 ZINC000639594941 356513577 /nfs/dbraw/zinc/51/35/77/356513577.db2.gz BZAYSEIYHFSPGP-LLVKDONJSA-N 1 0 229.320 0.397 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@]23CCOC3)C1=O ZINC000421017624 192304295 /nfs/dbraw/zinc/30/42/95/192304295.db2.gz KJHWVGYHNQNADL-DGCLKSJQSA-N 1 0 236.315 0.638 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](CCO)CC1 ZINC000421045381 192310852 /nfs/dbraw/zinc/31/08/52/192310852.db2.gz UWDWODYDKUTDTO-LBPRGKRZSA-N 1 0 240.347 0.773 20 30 BCEDRO C=CCOCCCC(=O)N1CC[C@H]([NH3+])C1 ZINC000237902797 363479409 /nfs/dbraw/zinc/47/94/09/363479409.db2.gz YGQFAUPOKDKKNU-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627204962 363501111 /nfs/dbraw/zinc/50/11/11/363501111.db2.gz JPCPROJBEYSOPG-OUAUKWLOSA-N 1 0 241.335 0.363 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1cnccn1 ZINC000639665372 356579532 /nfs/dbraw/zinc/57/95/32/356579532.db2.gz KWZFNSZQKVCBOY-NEPJUHHUSA-N 1 0 219.288 0.952 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627207155 363502906 /nfs/dbraw/zinc/50/29/06/363502906.db2.gz PADWXNMXLJMCEJ-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C[C@H]1C[C@@]1(C#N)C(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000449984821 202063249 /nfs/dbraw/zinc/06/32/49/202063249.db2.gz KKMVEGREHALRSM-XZUYRWCXSA-N 1 0 235.331 0.945 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000613578831 363521345 /nfs/dbraw/zinc/52/13/45/363521345.db2.gz DUNGSENNPJUZBT-WDEREUQCSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627212621 363507909 /nfs/dbraw/zinc/50/79/09/363507909.db2.gz OTMCVGSZTUBOJL-SNVBAGLBSA-N 1 0 229.324 0.616 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000613579832 363522643 /nfs/dbraw/zinc/52/26/43/363522643.db2.gz WJSHVWHBAUTUDW-WCQYABFASA-N 1 0 240.347 0.912 20 30 BCEDRO N#CCC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336495591 134148612 /nfs/dbraw/zinc/14/86/12/134148612.db2.gz CSQAVEJYJUSUDA-LLVKDONJSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@H]1CC[N@H+](C)CCN1C(=O)CSCC#N ZINC000336520191 134148984 /nfs/dbraw/zinc/14/89/84/134148984.db2.gz IYZZMMIMMIQBPP-JTQLQIEISA-N 1 0 241.360 0.796 20 30 BCEDRO N#Cc1ccc(N2C[C@@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000088287447 356655417 /nfs/dbraw/zinc/65/54/17/356655417.db2.gz ACXVOBAJHQPKCG-QWRGUYRKSA-N 1 0 214.272 0.609 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N2CC(C)(C#N)C2)C1 ZINC000336602671 134151281 /nfs/dbraw/zinc/15/12/81/134151281.db2.gz VVKYPLXQUBYJQE-VIFPVBQESA-N 1 0 207.277 0.310 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000352741108 134151735 /nfs/dbraw/zinc/15/17/35/134151735.db2.gz WBGWDEJDVXOBJX-JTQLQIEISA-N 1 0 238.335 0.882 20 30 BCEDRO [NH2+]=C(NCC1CCC1)NCC1(O)CCCC1 ZINC000104182185 134159173 /nfs/dbraw/zinc/15/91/73/134159173.db2.gz BKLWNPIOTXCCCT-UHFFFAOYSA-N 1 0 225.336 0.996 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N[C@@H](C#N)C1CC1 ZINC000108836524 134159856 /nfs/dbraw/zinc/15/98/56/134159856.db2.gz UHAOZEMSQIVXSW-JTQLQIEISA-N 1 0 209.293 0.745 20 30 BCEDRO C=CC1CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000111257615 134160593 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134173244 /nfs/dbraw/zinc/17/32/44/134173244.db2.gz LJXXCVNABUAWQQ-JQWIXIFHSA-N 1 0 241.335 0.353 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H](n2ccnn2)CC1 ZINC000639818525 356799411 /nfs/dbraw/zinc/79/94/11/356799411.db2.gz RMYYLTJPUIVXSZ-CYBMUJFWSA-N 1 0 248.330 0.955 20 30 BCEDRO C#CCN(CC(C)C)[C@@H]1CCS(=O)(=O)C1 ZINC000071015827 325050427 /nfs/dbraw/zinc/05/04/27/325050427.db2.gz RAMUNUPMKWNJRM-LLVKDONJSA-N 1 0 229.345 0.765 20 30 BCEDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CC#Cc1ccccc1 ZINC000639851092 356855191 /nfs/dbraw/zinc/85/51/91/356855191.db2.gz YZENPBZMULHEPL-HUUCEWRRSA-N 1 0 245.322 0.856 20 30 BCEDRO C=CCC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639854825 356858632 /nfs/dbraw/zinc/85/86/32/356858632.db2.gz JPEXUKXIFZWPCT-NSHDSACASA-N 1 0 222.292 0.555 20 30 BCEDRO N#CCCOCC[N@@H+](CC(N)=O)C1CCCC1 ZINC000385204185 356938579 /nfs/dbraw/zinc/93/85/79/356938579.db2.gz GJLZPZLZHFTOID-UHFFFAOYSA-N 1 0 239.319 0.647 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000193334741 356900081 /nfs/dbraw/zinc/90/00/81/356900081.db2.gz SWLWBUHDLBQPQZ-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCNC(=O)C[N@H+](CCCOC)CCOC ZINC000054364866 363570998 /nfs/dbraw/zinc/57/09/98/363570998.db2.gz AYUAAPKWCVVGPC-UHFFFAOYSA-N 1 0 244.335 0.274 20 30 BCEDRO N#Cc1cnccc1NCC[NH+]1CCSCC1 ZINC000399614729 356985747 /nfs/dbraw/zinc/98/57/47/356985747.db2.gz XKMIBGDOLMKAOY-UHFFFAOYSA-N 1 0 248.355 0.836 20 30 BCEDRO C=CCOCC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000358512113 134189250 /nfs/dbraw/zinc/18/92/50/134189250.db2.gz UKWKPOJLZKAZLX-UHFFFAOYSA-N 1 0 238.331 0.791 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000582367211 357108246 /nfs/dbraw/zinc/10/82/46/357108246.db2.gz RWTZFVBVWNSVLT-NWDGAFQWSA-N 1 0 239.363 0.690 20 30 BCEDRO C[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)S(C)(=O)=O ZINC000389908999 357063614 /nfs/dbraw/zinc/06/36/14/357063614.db2.gz IEQGGTMOCYSGCH-KXUCPTDWSA-N 1 0 230.333 0.701 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000543803462 325114812 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/nfs/dbraw/zinc/35/69/22/357356922.db2.gz QXYLADNMBCMKED-JTQLQIEISA-N 1 0 220.276 0.137 20 30 BCEDRO C#CCN1CC[NH+](CC2CCOCC2)CC1 ZINC000172424797 357378564 /nfs/dbraw/zinc/37/85/64/357378564.db2.gz JAXXCKWZHZAUIG-UHFFFAOYSA-N 1 0 222.332 0.664 20 30 BCEDRO C=CC[C@H](CO)NC(=O)CCCC[NH+](C)C ZINC000582676697 357364760 /nfs/dbraw/zinc/36/47/60/357364760.db2.gz HTXPPAXEIAEFEJ-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO N#CCN1CCC([NH2+]Cc2ccc(CO)o2)CC1 ZINC000610270923 357404571 /nfs/dbraw/zinc/40/45/71/357404571.db2.gz OVRMEKIIBVZUMC-UHFFFAOYSA-N 1 0 249.314 0.849 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000360593923 134201095 /nfs/dbraw/zinc/20/10/95/134201095.db2.gz GMDKWMGXAVIHEH-LBPRGKRZSA-N 1 0 235.331 0.936 20 30 BCEDRO N#CC1CCC(C[NH2+]CCC(N)=O)CC1 ZINC000582900610 357426070 /nfs/dbraw/zinc/42/60/70/357426070.db2.gz AACBJRHWGXMTKU-UHFFFAOYSA-N 1 0 209.293 0.781 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360214214 134199433 /nfs/dbraw/zinc/19/94/33/134199433.db2.gz ADMAUGNNDKZIOM-WDEREUQCSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000583154133 357496178 /nfs/dbraw/zinc/49/61/78/357496178.db2.gz UQRRUQLIVMMLFB-RYUDHWBXSA-N 1 0 240.347 0.629 20 30 BCEDRO C[C@H](CC#N)[N@H+](C)CC[C@@H]1CCNC1=O ZINC000395868353 357458557 /nfs/dbraw/zinc/45/85/57/357458557.db2.gz WUDCTMSGOCTRAI-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO CC#CCCNC(=O)NCC[N@H+](C)C1CC1 ZINC000361422748 134205057 /nfs/dbraw/zinc/20/50/57/134205057.db2.gz OSLCRLBWQRSPOU-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C=CCC[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361376957 134205094 /nfs/dbraw/zinc/20/50/94/134205094.db2.gz HNKIUARKOYIIER-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362449057 134211204 /nfs/dbraw/zinc/21/12/04/134211204.db2.gz NWWPGCBOPIJQBS-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362457619 134211328 /nfs/dbraw/zinc/21/13/28/134211328.db2.gz ZWPKGTHQRRMVII-WDEREUQCSA-N 1 0 237.303 0.127 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000368313296 134218034 /nfs/dbraw/zinc/21/80/34/134218034.db2.gz UKIIHZGZLXGATB-NWDGAFQWSA-N 1 0 236.315 0.237 20 30 BCEDRO CCOC[C@@H]([NH2+]CC(=O)NCC#N)C(C)C ZINC000233725308 357740837 /nfs/dbraw/zinc/74/08/37/357740837.db2.gz LHAUZVHPXTZUCG-SNVBAGLBSA-N 1 0 227.308 0.277 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000191029876 357744320 /nfs/dbraw/zinc/74/43/20/357744320.db2.gz GGZJWGDHDCCHHA-LBPRGKRZSA-N 1 0 243.347 0.787 20 30 BCEDRO C[C@@H]1COCCN1CC[NH+]1CCC(C#N)CC1 ZINC000191465793 357771945 /nfs/dbraw/zinc/77/19/45/357771945.db2.gz HISLHUQCSKUQNE-GFCCVEGCSA-N 1 0 237.347 0.943 20 30 BCEDRO CC#CCNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000369850338 134223355 /nfs/dbraw/zinc/22/33/55/134223355.db2.gz FZYRNNIJASZPTR-RYUDHWBXSA-N 1 0 235.331 0.745 20 30 BCEDRO C=CCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000369253204 134221729 /nfs/dbraw/zinc/22/17/29/134221729.db2.gz RTNCYPZRBFVNIT-NEPJUHHUSA-N 1 0 210.321 0.703 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CCOCC[C@@H]2C)C1=O ZINC000369195771 134221909 /nfs/dbraw/zinc/22/19/09/134221909.db2.gz VVNPUZGUUOFBNU-RYUDHWBXSA-N 1 0 238.331 0.884 20 30 BCEDRO CO[C@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1(C)C ZINC000234774729 357827696 /nfs/dbraw/zinc/82/76/96/357827696.db2.gz GQPUDDKIEZWPNF-BDAKNGLRSA-N 1 0 225.292 0.029 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@H](C)COC)C1=O ZINC000545992548 325255077 /nfs/dbraw/zinc/25/50/77/325255077.db2.gz FJZZIDQGDSGNID-RYUDHWBXSA-N 1 0 240.347 0.988 20 30 BCEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)[C@@H](C)CO ZINC000118942182 134223579 /nfs/dbraw/zinc/22/35/79/134223579.db2.gz YESCZQKARYYBHL-JQWIXIFHSA-N 1 0 241.335 0.353 20 30 BCEDRO CCN(CC#N)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000370671786 134227002 /nfs/dbraw/zinc/22/70/02/134227002.db2.gz XYPQTYNHRRFVDL-NSHDSACASA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@@H](C(N)=O)[NH+]1CCC(CCC#N)CC1 ZINC000399378350 357905676 /nfs/dbraw/zinc/90/56/76/357905676.db2.gz YQVBFYSMFIZOAN-VIFPVBQESA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](CO)C1 ZINC000374041540 134235419 /nfs/dbraw/zinc/23/54/19/134235419.db2.gz ZVLXACBKGHVUNB-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(CC)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639948369 357972272 /nfs/dbraw/zinc/97/22/72/357972272.db2.gz GYRNYUXICMAZRQ-STQMWFEESA-N 1 0 236.315 0.937 20 30 BCEDRO CCC#C[C@H](C)[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639950339 357973307 /nfs/dbraw/zinc/97/33/07/357973307.db2.gz SAIPSURELTYMTF-BPNCWPANSA-N 1 0 248.326 0.773 20 30 BCEDRO C=CCOCC[NH2+][C@](C)(CO)COC ZINC000639956049 357978231 /nfs/dbraw/zinc/97/82/31/357978231.db2.gz BTAITJGWNASSJI-SNVBAGLBSA-N 1 0 203.282 0.176 20 30 BCEDRO C=CCOCC[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000640005819 358058137 /nfs/dbraw/zinc/05/81/37/358058137.db2.gz SPHKGOBEIRGELM-NEPJUHHUSA-N 1 0 229.320 0.661 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1ncnn1CC ZINC000262477997 535390055 /nfs/dbraw/zinc/39/00/55/535390055.db2.gz QQAHEZKWKYDMSI-UHFFFAOYSA-N 1 0 224.312 0.455 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1ccnc(C)n1 ZINC000170909340 535390501 /nfs/dbraw/zinc/39/05/01/535390501.db2.gz GRHWYQNUGLFYIG-UHFFFAOYSA-N 1 0 221.308 0.942 20 30 BCEDRO CCN(CC)C(=[NH2+])N[C@H]1C[C@H](O)C1(C)C ZINC000262465473 535391531 /nfs/dbraw/zinc/39/15/31/535391531.db2.gz XSLANWBKKQLXPS-IUCAKERBSA-N 1 0 213.325 0.802 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@H](CO)C1 ZINC000051887342 358090138 /nfs/dbraw/zinc/09/01/38/358090138.db2.gz GEMQRPLVIVWARJ-LBPRGKRZSA-N 1 0 240.347 0.725 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](O)(CC)C1 ZINC000640031291 358123091 /nfs/dbraw/zinc/12/30/91/358123091.db2.gz QXVFCWGSGMVIOV-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(CC)C1 ZINC000640031290 358123138 /nfs/dbraw/zinc/12/31/38/358123138.db2.gz QXVFCWGSGMVIOV-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO CC#CCC[NH2+]C[C@H](O)CCC(=O)OCC ZINC000385424298 358134696 /nfs/dbraw/zinc/13/46/96/358134696.db2.gz KVFKSIQHPZGKFE-LLVKDONJSA-N 1 0 227.304 0.694 20 30 BCEDRO C[NH+](C)[C@@H](CNC(=O)CSCC#N)C1CC1 ZINC000055719702 363598919 /nfs/dbraw/zinc/59/89/19/363598919.db2.gz WSUXZTWRHSECNZ-JTQLQIEISA-N 1 0 241.360 0.700 20 30 BCEDRO CNC(NCCc1ccc([N+](=O)[O-])cc1)=[NH+]C ZINC000171412782 134258119 /nfs/dbraw/zinc/25/81/19/134258119.db2.gz XPMJUALIIZSWTG-UHFFFAOYSA-N 1 0 236.275 0.932 20 30 BCEDRO CC#CCCN1CCOC[C@H]1CNC(=O)NC ZINC000640104829 358194837 /nfs/dbraw/zinc/19/48/37/358194837.db2.gz MSQRKANFLXCVFU-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO Cn1nccc1N1CCC[C@H]([NH2+]CCC#N)C1 ZINC000584835074 358197265 /nfs/dbraw/zinc/19/72/65/358197265.db2.gz ORRNRWOLZDXTDD-NSHDSACASA-N 1 0 233.319 0.892 20 30 BCEDRO Cn1nccc1N1CCC[C@@H]([NH2+]CCC#N)C1 ZINC000584835067 358197472 /nfs/dbraw/zinc/19/74/72/358197472.db2.gz ORRNRWOLZDXTDD-LLVKDONJSA-N 1 0 233.319 0.892 20 30 BCEDRO C[C@H](c1ccccc1)[C@@H](O)C[NH2+]CC#CCO ZINC000584839566 358198635 /nfs/dbraw/zinc/19/86/35/358198635.db2.gz QWAKPFRJDQRPPN-OCCSQVGLSA-N 1 0 233.311 0.736 20 30 BCEDRO CN(Cc1cccc(C#N)c1)C1C[NH2+]C1 ZINC000085257450 134267354 /nfs/dbraw/zinc/26/73/54/134267354.db2.gz FMGVDDNRMYRQFY-UHFFFAOYSA-N 1 0 201.273 0.962 20 30 BCEDRO N#C[C@H]1CN(CC[NH+]2CCCCC2)CCO1 ZINC000077283256 325372431 /nfs/dbraw/zinc/37/24/31/325372431.db2.gz NQWMNQFAOXOOAE-LBPRGKRZSA-N 1 0 223.320 0.697 20 30 BCEDRO CCN(CCC#N)C(=O)Cc1cncn1C ZINC000547603465 325373691 /nfs/dbraw/zinc/37/36/91/325373691.db2.gz YCPSJZNWHNPDFB-UHFFFAOYSA-N 1 0 220.276 0.725 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](O)c1ccc(C)cc1 ZINC000264115673 535423319 /nfs/dbraw/zinc/42/33/19/535423319.db2.gz SPRZVYGZVKUEHO-LLVKDONJSA-N 1 0 221.304 0.953 20 30 BCEDRO CCNC(=[NH2+])NCCc1ccncc1C ZINC000269972188 535423365 /nfs/dbraw/zinc/42/33/65/535423365.db2.gz OSWKBELLVGFCOM-UHFFFAOYSA-N 1 0 206.293 0.857 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(OC)c(O)c1 ZINC000264095810 535424346 /nfs/dbraw/zinc/42/43/46/535424346.db2.gz MKRBLIRSNLHKOC-UHFFFAOYSA-N 1 0 223.276 0.825 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000310258846 358443557 /nfs/dbraw/zinc/44/35/57/358443557.db2.gz QAPDCZLEPVEGOB-GHMZBOCLSA-N 1 0 240.347 0.770 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000418419053 358432317 /nfs/dbraw/zinc/43/23/17/358432317.db2.gz XANZCWOKSJRABZ-QWRGUYRKSA-N 1 0 223.320 0.826 20 30 BCEDRO CCC[N@H+](CCO)CCC(=O)N(C)CCC#N ZINC000042452712 358524392 /nfs/dbraw/zinc/52/43/92/358524392.db2.gz QIDTXDKXHKKBSP-UHFFFAOYSA-N 1 0 241.335 0.453 20 30 BCEDRO N#CCN1CC[C@H](C[NH+]2CCOCC2)C1 ZINC000129178239 358583745 /nfs/dbraw/zinc/58/37/45/358583745.db2.gz XCBWCGYENVOHEG-NSHDSACASA-N 1 0 209.293 0.164 20 30 BCEDRO CC#CC[N@H+]1CC[C@H](N2CC[NH+](CC)CC2)C1 ZINC000130424259 358625096 /nfs/dbraw/zinc/62/50/96/358625096.db2.gz PXLJAUNATBSQAA-AWEZNQCLSA-N 1 0 235.375 0.722 20 30 BCEDRO N#CCCC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129511415 358587476 /nfs/dbraw/zinc/58/74/76/358587476.db2.gz KRTOCORAAZONJX-ZDUSSCGKSA-N 1 0 237.347 0.944 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129602261 358589459 /nfs/dbraw/zinc/58/94/59/358589459.db2.gz DRVKLMXRYVRZCX-GFCCVEGCSA-N 1 0 208.305 0.274 20 30 BCEDRO CCOC(=O)[C@H]1CCC[N@H+](CC#CCOC)C1 ZINC000611080196 358597464 /nfs/dbraw/zinc/59/74/64/358597464.db2.gz CLXKOQVPRZRFEV-LBPRGKRZSA-N 1 0 239.315 0.911 20 30 BCEDRO CC[N@H+](CCCC(=O)NC(N)=O)C[C@@H](C)C#N ZINC000049442051 358689469 /nfs/dbraw/zinc/68/94/69/358689469.db2.gz AOQYAIUBVLUBPN-VIFPVBQESA-N 1 0 240.307 0.443 20 30 BCEDRO CC#CC[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000359975194 358709714 /nfs/dbraw/zinc/70/97/14/358709714.db2.gz QAKXVKHKBRNMEV-SNVBAGLBSA-N 1 0 248.286 0.335 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)NCCCCC#N ZINC000176325455 134290734 /nfs/dbraw/zinc/29/07/34/134290734.db2.gz CIPLTMUZDHAZQB-UHFFFAOYSA-N 1 0 226.324 0.883 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)Cc1ccc(C#N)s1 ZINC000578245681 366469219 /nfs/dbraw/zinc/46/92/19/366469219.db2.gz VZAAFGVLNIXWMK-VIFPVBQESA-N 1 0 240.328 0.795 20 30 BCEDRO C=CCNC(=O)CN[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000134402876 358789685 /nfs/dbraw/zinc/78/96/85/358789685.db2.gz JGXOMBFZHHUTFC-QWRGUYRKSA-N 1 0 225.336 0.218 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](CCO)C(C)C ZINC000308495929 491136607 /nfs/dbraw/zinc/13/66/07/491136607.db2.gz DENDQFCBFSTEHI-WDEREUQCSA-N 1 0 201.310 0.920 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@@H](CCO)C(C)C ZINC000308495928 491136627 /nfs/dbraw/zinc/13/66/27/491136627.db2.gz DENDQFCBFSTEHI-QWRGUYRKSA-N 1 0 201.310 0.920 20 30 BCEDRO CC[N@H+](C)CCNC(=O)C1(C#N)CCOCC1 ZINC000054134086 358854378 /nfs/dbraw/zinc/85/43/78/358854378.db2.gz PHVZLSSIDIFTKS-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO N#CCCN1CC[NH+](CCCCCO)CC1 ZINC000611174677 358916264 /nfs/dbraw/zinc/91/62/64/358916264.db2.gz KQSBWKZKWPUMSX-UHFFFAOYSA-N 1 0 225.336 0.680 20 30 BCEDRO C[C@H](Cn1cccn1)[NH2+]CCn1cnc(C#N)n1 ZINC000353948857 358908850 /nfs/dbraw/zinc/90/88/50/358908850.db2.gz XTPQCHNPVFQZQP-SNVBAGLBSA-N 1 0 245.290 0.025 20 30 BCEDRO C=C(C)C[N@H+](CC)C[C@@H](O)CN1CCOCC1 ZINC000061170796 358930644 /nfs/dbraw/zinc/93/06/44/358930644.db2.gz ORAXIZQBHYZUSL-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000177970561 134302380 /nfs/dbraw/zinc/30/23/80/134302380.db2.gz OSTPBWABGAPWBN-LBPRGKRZSA-N 1 0 239.319 0.205 20 30 BCEDRO N#CCN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069804782 359034025 /nfs/dbraw/zinc/03/40/25/359034025.db2.gz MJJQSAHISMRORJ-GFCCVEGCSA-N 1 0 223.320 0.554 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@H]([NH3+])CCSC ZINC000160888090 358989812 /nfs/dbraw/zinc/98/98/12/358989812.db2.gz XDSYMUOOKYVYPS-JGVFFNPUSA-N 1 0 202.323 0.758 20 30 BCEDRO C=CC[N@@H+]1CCCN(C(=O)[C@H]2CCCO2)CC1 ZINC000072252737 359085903 /nfs/dbraw/zinc/08/59/03/359085903.db2.gz VDEZDZSFZFIYFR-GFCCVEGCSA-N 1 0 238.331 0.886 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000072858317 359090969 /nfs/dbraw/zinc/09/09/69/359090969.db2.gz HDOUETOBVWKKSB-LBPRGKRZSA-N 1 0 239.363 0.562 20 30 BCEDRO Cc1nccn1CC[NH+]1CCN(CCC#N)CC1 ZINC000611225070 359142109 /nfs/dbraw/zinc/14/21/09/359142109.db2.gz XCRRSFZODWEGFS-UHFFFAOYSA-N 1 0 247.346 0.723 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(c2ccc(C#N)nn2)C1 ZINC000611240846 359227147 /nfs/dbraw/zinc/22/71/47/359227147.db2.gz HQYLMFYDFCUOHM-SNVBAGLBSA-N 1 0 231.303 0.736 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H](COC)C1 ZINC000247680032 359239923 /nfs/dbraw/zinc/23/99/23/359239923.db2.gz ZORQUELZKPIJKX-NWDGAFQWSA-N 1 0 229.320 0.661 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(C(=O)OC)CC1 ZINC000611237462 359204980 /nfs/dbraw/zinc/20/49/80/359204980.db2.gz KXMVASXDKKSKNF-NSHDSACASA-N 1 0 227.304 0.808 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000613800235 363643041 /nfs/dbraw/zinc/64/30/41/363643041.db2.gz VVWNAWJEVPVVLZ-GFCCVEGCSA-N 1 0 240.347 0.866 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@H+](C)Cc1cn[nH]c1 ZINC000611302789 359306064 /nfs/dbraw/zinc/30/60/64/359306064.db2.gz NMCTVFUYYVPWKK-UHFFFAOYSA-N 1 0 249.318 0.604 20 30 BCEDRO Cc1ccc(C#N)nc1N1CCN(CCO)CC1 ZINC000611399107 359356190 /nfs/dbraw/zinc/35/61/90/359356190.db2.gz NGXLRHRVBJJTQC-UHFFFAOYSA-N 1 0 246.314 0.376 20 30 BCEDRO CC(C)[C@H](C#N)N1CC[NH+](C[C@@H](C)CO)CC1 ZINC000611431795 359363995 /nfs/dbraw/zinc/36/39/95/359363995.db2.gz BCQFMVVOWOQXCZ-OLZOCXBDSA-N 1 0 239.363 0.781 20 30 BCEDRO CCN(CCC#N)C[C@@H](O)C[N@H+](C)C(C)C ZINC000390639087 359519619 /nfs/dbraw/zinc/51/96/19/359519619.db2.gz KKSLOAUBRWSZNH-LBPRGKRZSA-N 1 0 227.352 0.923 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000611923337 359484043 /nfs/dbraw/zinc/48/40/43/359484043.db2.gz AJKRPVXLHJOGJU-KOLCDFICSA-N 1 0 244.360 0.087 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000628489159 359615251 /nfs/dbraw/zinc/61/52/51/359615251.db2.gz QJMBZDCHPBMAEW-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCC1(C(=O)N2CC[C@@H]([NH3+])C2)CCOCC1 ZINC000424057246 192857200 /nfs/dbraw/zinc/85/72/00/192857200.db2.gz JFRFZFQHAAASLN-LLVKDONJSA-N 1 0 238.331 0.919 20 30 BCEDRO CC(=O)N[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000228261146 359603620 /nfs/dbraw/zinc/60/36/20/359603620.db2.gz YBNHWGOMHPXGOP-LLVKDONJSA-N 1 0 221.304 0.891 20 30 BCEDRO CCOC(=O)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424077014 192860968 /nfs/dbraw/zinc/86/09/68/192860968.db2.gz ASSHYMJDOYOLAG-SECBINFHSA-N 1 0 241.291 0.077 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000612303644 359776844 /nfs/dbraw/zinc/77/68/44/359776844.db2.gz JTWTWJHSZVYGSY-MIMYLULJSA-N 1 0 224.304 0.132 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351777002 366541432 /nfs/dbraw/zinc/54/14/32/366541432.db2.gz DXZBNFFYTZXWIO-NEPJUHHUSA-N 1 0 238.331 0.500 20 30 BCEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000578507625 366583559 /nfs/dbraw/zinc/58/35/59/366583559.db2.gz YESBJWBWBDZBDW-TUAOUCFPSA-N 1 0 237.303 0.559 20 30 BCEDRO C[NH2+]CCCn1ccc(C)c(C#N)c1=O ZINC000578528502 366592044 /nfs/dbraw/zinc/59/20/44/366592044.db2.gz DYOUXDIMZVVZCT-UHFFFAOYSA-N 1 0 205.261 0.638 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000613966557 363693090 /nfs/dbraw/zinc/69/30/90/363693090.db2.gz BPBRXHNXQGEBGI-YPMHNXCESA-N 1 0 240.347 0.722 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000614009314 363700242 /nfs/dbraw/zinc/70/02/42/363700242.db2.gz ODYXTHPJSDCUJG-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000614009315 363700264 /nfs/dbraw/zinc/70/02/64/363700264.db2.gz ODYXTHPJSDCUJG-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCN(CCOC)C(=O)CN1CC(C)(C)C1 ZINC000578641782 366616770 /nfs/dbraw/zinc/61/67/70/366616770.db2.gz KXTZUCFMTPDCLU-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000088485865 359958397 /nfs/dbraw/zinc/95/83/97/359958397.db2.gz DMUDDHDOIDXBDO-JTQLQIEISA-N 1 0 245.348 0.256 20 30 BCEDRO C=CCOCCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612930683 360202479 /nfs/dbraw/zinc/20/24/79/360202479.db2.gz QOPQXYWSECFBMI-LBPRGKRZSA-N 1 0 241.335 0.630 20 30 BCEDRO CC#CCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612902554 360174994 /nfs/dbraw/zinc/17/49/94/360174994.db2.gz SWDDBLPETRMDTN-NSHDSACASA-N 1 0 209.293 0.451 20 30 BCEDRO C#CC[NH+](CC#C)CC1(C(=O)OC)CC1 ZINC000491794198 259510734 /nfs/dbraw/zinc/51/07/34/259510734.db2.gz OZODRTXTPCWMED-UHFFFAOYSA-N 1 0 205.257 0.508 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612981427 360224014 /nfs/dbraw/zinc/22/40/14/360224014.db2.gz ARSGSQMKTHRRQB-NSHDSACASA-N 1 0 235.331 0.793 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628748660 360631573 /nfs/dbraw/zinc/63/15/73/360631573.db2.gz CMLLKFYQMQWRJW-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628752375 360632885 /nfs/dbraw/zinc/63/28/85/360632885.db2.gz XFVAVQQZJVJFTF-YPMHNXCESA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H]2C[C@@H](CO)C2)nn1 ZINC000631199958 360777919 /nfs/dbraw/zinc/77/79/19/360777919.db2.gz SDXJINHCISWRTC-PHIMTYICSA-N 1 0 236.319 0.715 20 30 BCEDRO C=C[C@@](C)(CC)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629172255 360920355 /nfs/dbraw/zinc/92/03/55/360920355.db2.gz WROWAOJCBWSZRL-YPMHNXCESA-N 1 0 240.347 0.772 20 30 BCEDRO CCC[C@H](O)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424111370 200862277 /nfs/dbraw/zinc/86/22/77/200862277.db2.gz AOXSLIKIJWNXAO-UWVGGRQHSA-N 1 0 227.308 0.285 20 30 BCEDRO C[C@H](Cn1cccn1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424137488 200864348 /nfs/dbraw/zinc/86/43/48/200864348.db2.gz ASWWEPYXVSIXLW-MNOVXSKESA-N 1 0 249.318 0.409 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H](C)[C@H](C)[NH3+])nn1 ZINC000424205055 200887546 /nfs/dbraw/zinc/88/75/46/200887546.db2.gz FRUPFYQLZQDEDG-IUCAKERBSA-N 1 0 237.307 0.064 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H](C)[NH3+] ZINC000424203147 200887635 /nfs/dbraw/zinc/88/76/35/200887635.db2.gz BPJLFYUDNCIHBC-GUBZILKMSA-N 1 0 212.293 0.431 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]2CCC[NH2+]C2)nn1 ZINC000424205574 200888388 /nfs/dbraw/zinc/88/83/88/200888388.db2.gz GFBXHTSLDGZHAA-SNVBAGLBSA-N 1 0 249.318 0.080 20 30 BCEDRO CC[N@H+](CC(=O)NCC#N)C1CCCC1 ZINC000066494671 361294825 /nfs/dbraw/zinc/29/48/25/361294825.db2.gz GQGRCNNUHZBKIS-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCC=CO1 ZINC000194548860 361326292 /nfs/dbraw/zinc/32/62/92/361326292.db2.gz ZWOZZWFSTHMPHV-JTQLQIEISA-N 1 0 210.277 0.571 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](CCC)CC(N)=O ZINC000429126127 201070328 /nfs/dbraw/zinc/07/03/28/201070328.db2.gz FUKURWSEHXNGSA-SNVBAGLBSA-N 1 0 214.309 0.511 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000428943514 201053581 /nfs/dbraw/zinc/05/35/81/201053581.db2.gz PNEPPIAOYNNHBP-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C2(CO)CCC2)C1=O ZINC000429233346 201080757 /nfs/dbraw/zinc/08/07/57/201080757.db2.gz MHNHIWRZVVWYHT-LLVKDONJSA-N 1 0 238.331 0.620 20 30 BCEDRO C[C@H]1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC000429574701 201114372 /nfs/dbraw/zinc/11/43/72/201114372.db2.gz AZCJNXVXNLTKQX-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000429661161 201124349 /nfs/dbraw/zinc/12/43/49/201124349.db2.gz WCLOVMYBLXLZBB-MNOVXSKESA-N 1 0 224.304 0.542 20 30 BCEDRO COCCN1CC[NH+]([C@@H]2CC[C@@H](C#N)C2)CC1 ZINC000429711649 201129363 /nfs/dbraw/zinc/12/93/63/201129363.db2.gz QKXAGACSJGDSER-CHWSQXEVSA-N 1 0 237.347 0.943 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)COCC ZINC000579465098 366815306 /nfs/dbraw/zinc/81/53/06/366815306.db2.gz JTGDWSNZXWQHQP-MXWKQRLJSA-N 1 0 215.293 0.317 20 30 BCEDRO N#CC[C@@H](O)CSCC1CC[NH2+]CC1 ZINC000579469201 366818428 /nfs/dbraw/zinc/81/84/28/366818428.db2.gz TVRWSKPLSZFQBZ-SNVBAGLBSA-N 1 0 214.334 0.994 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000579472694 366820826 /nfs/dbraw/zinc/82/08/26/366820826.db2.gz JIRXPSABEKXQFF-UWVGGRQHSA-N 1 0 212.293 0.433 20 30 BCEDRO C=CC[C@@H]1CC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000629551834 361444302 /nfs/dbraw/zinc/44/43/02/361444302.db2.gz XIDVJPXNCDCKJY-NEPJUHHUSA-N 1 0 210.321 0.873 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000163436742 361480028 /nfs/dbraw/zinc/48/00/28/361480028.db2.gz RPRKXSRZLPDDGA-LLVKDONJSA-N 1 0 212.268 0.889 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000430248501 201157014 /nfs/dbraw/zinc/15/70/14/201157014.db2.gz JSPOAHKBLNGBIJ-YPMHNXCESA-N 1 0 240.347 0.772 20 30 BCEDRO C[N@H+](C[C@H](O)Cn1cccn1)CC(C)(C)C#N ZINC000433309354 201180026 /nfs/dbraw/zinc/18/00/26/201180026.db2.gz YWIBTXHFBJTQFA-NSHDSACASA-N 1 0 236.319 0.726 20 30 BCEDRO C=CCCC(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434418038 201219604 /nfs/dbraw/zinc/21/96/04/201219604.db2.gz XTAQWJAKUCEXKG-LBPRGKRZSA-N 1 0 240.347 0.916 20 30 BCEDRO COCC#CC[NH2+][C@H](CO)c1ccccc1 ZINC000309976430 491159170 /nfs/dbraw/zinc/15/91/70/491159170.db2.gz TWDDVNNHLMPZFN-CYBMUJFWSA-N 1 0 219.284 0.959 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(CC#N)CC1 ZINC000435231660 201256691 /nfs/dbraw/zinc/25/66/91/201256691.db2.gz YELYLZTUGHOCTQ-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO CC[NH+](CC)CCNC(=O)c1ccc(C#N)n1C ZINC000448558885 201267180 /nfs/dbraw/zinc/26/71/80/201267180.db2.gz WLFNFUCPGABYKE-UHFFFAOYSA-N 1 0 248.330 0.968 20 30 BCEDRO C=C(C)CS(=O)(=O)N(C)CC[N@H+](C)C1CC1 ZINC000435430153 201270930 /nfs/dbraw/zinc/27/09/30/201270930.db2.gz YTFUDGUUDIWFRR-UHFFFAOYSA-N 1 0 246.376 0.918 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000435434314 201271619 /nfs/dbraw/zinc/27/16/19/201271619.db2.gz RSPDMUKIMUGZPS-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCNC(=O)CN(CC)[C@H]1CCC[NH2+]CC1 ZINC000435631091 201279926 /nfs/dbraw/zinc/27/99/26/201279926.db2.gz ZURBHXPMLZXYKW-LBPRGKRZSA-N 1 0 239.363 0.753 20 30 BCEDRO C=CCOCC(=O)N(C)[C@@H]1CCC[NH2+]CC1 ZINC000435749277 201286072 /nfs/dbraw/zinc/28/60/72/201286072.db2.gz IYCMWSXHBNKQPL-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C[C@@H]1CN(CC2(CC#N)CC2)CC(=O)N1 ZINC000387340014 363839252 /nfs/dbraw/zinc/83/92/52/363839252.db2.gz TWPSHJJOBANJII-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627246634 363849984 /nfs/dbraw/zinc/84/99/84/363849984.db2.gz VSQKOPHLLUEVKM-HBNTYKKESA-N 1 0 241.335 0.363 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CCc2cc[nH]c(=O)c2C1 ZINC000619722609 363951183 /nfs/dbraw/zinc/95/11/83/363951183.db2.gz YFUORBIIVWSSHU-LLVKDONJSA-N 1 0 248.282 0.873 20 30 BCEDRO C=C(C)C(C)(C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614857631 364012460 /nfs/dbraw/zinc/01/24/60/364012460.db2.gz IBJNTSNKRZDEDJ-SNVBAGLBSA-N 1 0 228.336 0.627 20 30 BCEDRO CC1(C)CN(CC2(C#N)CC2)CC[N@@H+]1CCO ZINC000614920659 364092869 /nfs/dbraw/zinc/09/28/69/364092869.db2.gz MNVZTPMKXCSLSA-UHFFFAOYSA-N 1 0 237.347 0.679 20 30 BCEDRO CC#CCNCc1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000630606278 364337556 /nfs/dbraw/zinc/33/75/56/364337556.db2.gz VXLUTZPFLHOLJQ-LLVKDONJSA-N 1 0 233.319 0.143 20 30 BCEDRO C=CCN1CC[C@H](n2ccnc2C[NH3+])C1=O ZINC000630583508 364286526 /nfs/dbraw/zinc/28/65/26/364286526.db2.gz GYRVDRQTZGAGTO-VIFPVBQESA-N 1 0 220.276 0.301 20 30 BCEDRO C=C(CC)Cn1cc(C[C@H]([NH3+])COC)nn1 ZINC000630590316 364299820 /nfs/dbraw/zinc/29/98/20/364299820.db2.gz DEMLHGLTQQWNIE-JTQLQIEISA-N 1 0 224.308 0.761 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)OC ZINC000134402619 364402862 /nfs/dbraw/zinc/40/28/62/364402862.db2.gz RJUOUIVYHNRTOK-BDAKNGLRSA-N 1 0 200.282 0.302 20 30 BCEDRO C[C@H](C#N)C(=O)NCC[N@H+]1CC=CCC1 ZINC000357645353 366861901 /nfs/dbraw/zinc/86/19/01/366861901.db2.gz FGALDFUGOTVHPU-SNVBAGLBSA-N 1 0 207.277 0.524 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H](C)C[NH+](C)C ZINC000615178862 364600464 /nfs/dbraw/zinc/60/04/64/364600464.db2.gz ZCTSWOJDHSQOQA-ONGXEEELSA-N 1 0 214.309 0.237 20 30 BCEDRO C[N@H+](CC(=O)NC1(C#N)CCC1)C(C)(C)CO ZINC000615224668 364644801 /nfs/dbraw/zinc/64/48/01/364644801.db2.gz CVCATHSWKZBQDA-UHFFFAOYSA-N 1 0 239.319 0.252 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615303378 364680995 /nfs/dbraw/zinc/68/09/95/364680995.db2.gz HJOYMAWSUAURKY-GVXVVHGQSA-N 1 0 240.347 0.865 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615303690 364681960 /nfs/dbraw/zinc/68/19/60/364681960.db2.gz UTVCKCFQRYPGFJ-UTLUCORTSA-N 1 0 212.293 0.084 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000615356827 364721101 /nfs/dbraw/zinc/72/11/01/364721101.db2.gz VLFITGYSLZGTOS-YPMHNXCESA-N 1 0 238.331 0.478 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000295356590 364780848 /nfs/dbraw/zinc/78/08/48/364780848.db2.gz YWAVZAHGAANKLO-VHSXEESVSA-N 1 0 224.304 0.281 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@H](CO)C(C)C ZINC000156394560 201427264 /nfs/dbraw/zinc/42/72/64/201427264.db2.gz CEKLVGQESTTZDV-GHMZBOCLSA-N 1 0 201.310 0.920 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000573596905 364870060 /nfs/dbraw/zinc/87/00/60/364870060.db2.gz PDOXJRLXMSGDHJ-SECBINFHSA-N 1 0 205.323 0.975 20 30 BCEDRO C=C1CCN(C(=O)[C@H]([NH2+]C)c2cnn(C)c2)CC1 ZINC000573692937 364894717 /nfs/dbraw/zinc/89/47/17/364894717.db2.gz KSFPQUGVJVHYAJ-GFCCVEGCSA-N 1 0 248.330 0.859 20 30 BCEDRO C=CCSCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000573953528 364941336 /nfs/dbraw/zinc/94/13/36/364941336.db2.gz BOKHZKHOOOKRJJ-VIFPVBQESA-N 1 0 237.390 0.928 20 30 BCEDRO CCOCCCC(=O)N[C@@](C)(C#N)CN(C)C ZINC000574379984 365046774 /nfs/dbraw/zinc/04/67/74/365046774.db2.gz LHSHGIJTLGXRBP-LBPRGKRZSA-N 1 0 241.335 0.763 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](CO)[C@@H]2CCOC2)C1 ZINC000442861151 192998155 /nfs/dbraw/zinc/99/81/55/192998155.db2.gz DACCNFHRQXQLLF-LPWJVIDDSA-N 1 0 238.331 0.913 20 30 BCEDRO C[N@H+](C[C@@H](O)CNCC1(C#N)CCC1)C1CC1 ZINC000574869727 365162448 /nfs/dbraw/zinc/16/24/48/365162448.db2.gz ZSDMZHUQRHWOHB-LBPRGKRZSA-N 1 0 237.347 0.725 20 30 BCEDRO C=CCCC(=O)NC[C@]1(O)C[NH+]2CCC1CC2 ZINC000574778213 365143223 /nfs/dbraw/zinc/14/32/23/365143223.db2.gz WTTIUNUMVHHLJL-ZDUSSCGKSA-N 1 0 238.331 0.526 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)NCC#N)CCS1 ZINC000192179587 365279588 /nfs/dbraw/zinc/27/95/88/365279588.db2.gz OGKBIZOHYKGXOY-VIFPVBQESA-N 1 0 227.333 0.454 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC000336725319 365365457 /nfs/dbraw/zinc/36/54/57/365365457.db2.gz GDZJGUBPYVCYRK-ZJUUUORDSA-N 1 0 205.265 0.560 20 30 BCEDRO C[NH2+]CCNC(=O)COc1ccc(C#N)cc1 ZINC000575877190 365402492 /nfs/dbraw/zinc/40/24/92/365402492.db2.gz KGGNROKXWCJLDH-UHFFFAOYSA-N 1 0 233.271 0.273 20 30 BCEDRO C=CCOCC[N@@H+]1CCC[C@]12CCNC2=O ZINC000575813083 365372243 /nfs/dbraw/zinc/37/22/43/365372243.db2.gz VOHLFBQIPSYWNA-GFCCVEGCSA-N 1 0 224.304 0.544 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@@H]2C(=O)NC[C@@H]21 ZINC000339154724 365451450 /nfs/dbraw/zinc/45/14/50/365451450.db2.gz LHDUCDVWFZRSPH-QWRGUYRKSA-N 1 0 237.303 0.127 20 30 BCEDRO CC(C)NC(=O)NCCN(C)C[C@@H](C)C#N ZINC000576034226 365456476 /nfs/dbraw/zinc/45/64/76/365456476.db2.gz PHRZGSNQBRMRGR-JTQLQIEISA-N 1 0 226.324 0.785 20 30 BCEDRO N#CC1(CNC(=O)N2CCCC[C@@H]2C[NH3+])CC1 ZINC000576212167 365523705 /nfs/dbraw/zinc/52/37/05/365523705.db2.gz CAXQDXOFQWBBKX-SNVBAGLBSA-N 1 0 236.319 0.813 20 30 BCEDRO C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000576120445 365493418 /nfs/dbraw/zinc/49/34/18/365493418.db2.gz GFAGBOLEHQWXMU-OUAUKWLOSA-N 1 0 221.304 0.841 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@H](C)CC(=O)OCC ZINC000182664781 366929408 /nfs/dbraw/zinc/92/94/08/366929408.db2.gz WAEHAYJGFCTCRP-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO C[C@@H](C#N)CNC(=O)[C@H](C)Cc1c[nH]cn1 ZINC000579728941 366995397 /nfs/dbraw/zinc/99/53/97/366995397.db2.gz IRLIVEYDLPPOPZ-DTWKUNHWSA-N 1 0 220.276 0.864 20 30 BCEDRO C[C@H](C(=O)NCCCC#N)[NH+]1CC(C)C1 ZINC000579857702 367045130 /nfs/dbraw/zinc/04/51/30/367045130.db2.gz FJOUALVOYSNASF-SNVBAGLBSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCN(CC)C(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368567791 367113060 /nfs/dbraw/zinc/11/30/60/367113060.db2.gz OENYJCIPHDUJRV-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C1(C)C[NH2+]C1 ZINC000579945559 367095348 /nfs/dbraw/zinc/09/53/48/367095348.db2.gz NCZBYTMOMBEYHW-UWVGGRQHSA-N 1 0 224.304 0.303 20 30 BCEDRO CC#CC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000368497847 367097635 /nfs/dbraw/zinc/09/76/35/367097635.db2.gz BWIKBKRWIFHVAB-PWSUYJOCSA-N 1 0 206.289 0.657 20 30 BCEDRO Cc1cc(C#N)nc(N2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000116823061 370838998 /nfs/dbraw/zinc/83/89/98/370838998.db2.gz SKOOEHPLDBKDJT-NXEZZACHSA-N 1 0 229.287 0.312 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCN1C(=O)N[C@H](C)C1=O ZINC000581319019 367345815 /nfs/dbraw/zinc/34/58/15/367345815.db2.gz ONVKNZHRYMGVPO-BDAKNGLRSA-N 1 0 238.291 0.209 20 30 BCEDRO C=CCn1cc(CNC(=O)C[NH2+]C(C)C)nn1 ZINC000581321990 367348664 /nfs/dbraw/zinc/34/86/64/367348664.db2.gz FXHNNYXLOCGDMW-UHFFFAOYSA-N 1 0 237.307 0.078 20 30 BCEDRO C=CCSCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000381285037 367374518 /nfs/dbraw/zinc/37/45/18/367374518.db2.gz ZGKAODAUSMVEIO-LBPRGKRZSA-N 1 0 244.404 0.950 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000381621808 367440726 /nfs/dbraw/zinc/44/07/26/367440726.db2.gz AIFCPIJTSWVQBK-VHSXEESVSA-N 1 0 212.293 0.527 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCC=CO1 ZINC000381629226 367441377 /nfs/dbraw/zinc/44/13/77/367441377.db2.gz ODSGYIKKUMBLOT-LLVKDONJSA-N 1 0 222.288 0.408 20 30 BCEDRO C=C1CCN(C(=O)COC2CC[NH2+]CC2)CC1 ZINC000382556930 367538931 /nfs/dbraw/zinc/53/89/31/367538931.db2.gz LSRFWHRCQSFWRJ-UHFFFAOYSA-N 1 0 238.331 0.934 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCO[C@@H]1C ZINC000383045332 367591294 /nfs/dbraw/zinc/59/12/94/367591294.db2.gz IQLCYAUWVQVXJK-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO CN(CCC[NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000581721452 367785277 /nfs/dbraw/zinc/78/52/77/367785277.db2.gz WQZFLFCXXXTSMM-VHSXEESVSA-N 1 0 224.308 0.669 20 30 BCEDRO C=CC(C)(C)C[NH2+]C[C@H](O)COCCOC ZINC000385133194 367798138 /nfs/dbraw/zinc/79/81/38/367798138.db2.gz HHVFTJXUDRDTGT-NSHDSACASA-N 1 0 231.336 0.812 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000615447888 367873917 /nfs/dbraw/zinc/87/39/17/367873917.db2.gz NEPPNJHTKPYNTB-PWSUYJOCSA-N 1 0 238.331 0.476 20 30 BCEDRO C[C@H](O)C[N@H+](Cc1ccnc(C#N)c1)[C@@H](C)CO ZINC000615465986 367984439 /nfs/dbraw/zinc/98/44/39/367984439.db2.gz NALVIJJQKSPDSW-QWRGUYRKSA-N 1 0 249.314 0.517 20 30 BCEDRO C[C@H](CO)[N@@H+](Cc1ccnc(C#N)c1)C[C@H](C)O ZINC000615465985 367984947 /nfs/dbraw/zinc/98/49/47/367984947.db2.gz NALVIJJQKSPDSW-MNOVXSKESA-N 1 0 249.314 0.517 20 30 BCEDRO C[NH+](C)CCCNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615573497 368108899 /nfs/dbraw/zinc/10/88/99/368108899.db2.gz RQHNNNVMHPLPJR-LLVKDONJSA-N 1 0 242.298 0.585 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](F)(C#N)C1 ZINC000615593861 368125255 /nfs/dbraw/zinc/12/52/55/368125255.db2.gz GFMWUMGPZGPUON-MWLCHTKSSA-N 1 0 225.267 0.545 20 30 BCEDRO C#C[C@H](CCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000387186928 368098562 /nfs/dbraw/zinc/09/85/62/368098562.db2.gz FRJRNNBCLDJJJO-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC000387477292 368227397 /nfs/dbraw/zinc/22/73/97/368227397.db2.gz UPPTYQWZMMQIFU-RYUDHWBXSA-N 1 0 231.336 0.955 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccccc1O ZINC000066245218 368642842 /nfs/dbraw/zinc/64/28/42/368642842.db2.gz ZBNJPSXJMXUQLP-UHFFFAOYSA-N 1 0 223.276 0.443 20 30 BCEDRO CC[NH+](CC)CC(=O)N(CC#N)CCOC ZINC000457185389 203015458 /nfs/dbraw/zinc/01/54/58/203015458.db2.gz UUYYIYULOINDPE-UHFFFAOYSA-N 1 0 227.308 0.327 20 30 BCEDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@H](C#N)C1 ZINC000259869791 370949256 /nfs/dbraw/zinc/94/92/56/370949256.db2.gz JGMQLAHRVWTDHK-GHMZBOCLSA-N 1 0 237.303 0.222 20 30 BCEDRO C=CCNC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000457410264 203057541 /nfs/dbraw/zinc/05/75/41/203057541.db2.gz OHDYRAAWJGXCIT-LLVKDONJSA-N 1 0 241.335 0.318 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N2CCOC[C@H]2C#N)C1 ZINC000259867888 370949553 /nfs/dbraw/zinc/94/95/53/370949553.db2.gz JEJMSXHYFQTELD-GHMZBOCLSA-N 1 0 237.303 0.079 20 30 BCEDRO CCC[C@@H](C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000259754954 370939040 /nfs/dbraw/zinc/93/90/40/370939040.db2.gz FOTFBSIAAXKESG-VHSXEESVSA-N 1 0 209.293 0.889 20 30 BCEDRO C[N@H+](CCCCC#N)CC(=O)N1CCOCC1 ZINC000071089190 368769857 /nfs/dbraw/zinc/76/98/57/368769857.db2.gz RBJMSZJWBLHIKI-UHFFFAOYSA-N 1 0 239.319 0.471 20 30 BCEDRO CNC(=[NH2+])NCC(C)(C)NC(=O)OC(C)(C)C ZINC000072914115 368783495 /nfs/dbraw/zinc/78/34/95/368783495.db2.gz LWYZPAOVSKAEKT-UHFFFAOYSA-N 1 0 244.339 0.824 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000615961107 368794864 /nfs/dbraw/zinc/79/48/64/368794864.db2.gz PZEZGMWJADPHOZ-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000616153472 368987086 /nfs/dbraw/zinc/98/70/86/368987086.db2.gz GOVNMIYKFMECGD-ZDUSSCGKSA-N 1 0 240.347 0.914 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000458094245 203130815 /nfs/dbraw/zinc/13/08/15/203130815.db2.gz PIYKEDQLZJEOAI-LLVKDONJSA-N 1 0 225.336 0.991 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000618887474 369234193 /nfs/dbraw/zinc/23/41/93/369234193.db2.gz ZWKLUSCDKNMZGC-UWVGGRQHSA-N 1 0 225.292 0.112 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000458750982 203193517 /nfs/dbraw/zinc/19/35/17/203193517.db2.gz GGLMISWUVPCWRL-WDEREUQCSA-N 1 0 243.351 0.563 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000459075964 203229749 /nfs/dbraw/zinc/22/97/49/203229749.db2.gz MBDDYDVPFXBWMB-LBPRGKRZSA-N 1 0 243.351 0.564 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000459002519 203221197 /nfs/dbraw/zinc/22/11/97/203221197.db2.gz NWCKJUGDIFQIMV-LBPRGKRZSA-N 1 0 241.335 0.318 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000107573850 369353715 /nfs/dbraw/zinc/35/37/15/369353715.db2.gz CWIWJWCOWWEHMH-STQMWFEESA-N 1 0 249.358 0.338 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1C[C@H](O)C[C@H](C)C1 ZINC000401483758 369365205 /nfs/dbraw/zinc/36/52/05/369365205.db2.gz SIQFMAAFLGBAOB-AEJSXWLSSA-N 1 0 213.277 0.417 20 30 BCEDRO N#Cc1ccc(C[NH2+]CC[C@]2(O)CCOC2)o1 ZINC000404233889 369423849 /nfs/dbraw/zinc/42/38/49/369423849.db2.gz RIWCZNZPCDBZKQ-LBPRGKRZSA-N 1 0 236.271 0.782 20 30 BCEDRO N#Cc1cccc2c1CN(CC1(CO)COC1)C2 ZINC000405056329 369442443 /nfs/dbraw/zinc/44/24/43/369442443.db2.gz NCGKEDUGNQMYJS-UHFFFAOYSA-N 1 0 244.294 0.883 20 30 BCEDRO CN(CCC#N)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000259934454 370956082 /nfs/dbraw/zinc/95/60/82/370956082.db2.gz KMJFVFCBBYBOLO-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@H]2CS3)C1=O ZINC000459798511 203372812 /nfs/dbraw/zinc/37/28/12/203372812.db2.gz VJCFEAZYCMFQEL-DCAQKATOSA-N 1 0 238.356 0.963 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1CC ZINC000459814595 203376211 /nfs/dbraw/zinc/37/62/11/203376211.db2.gz XDACYLVOBADUCY-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@@H]1CN(C)CCO1 ZINC000619673118 369521203 /nfs/dbraw/zinc/52/12/03/369521203.db2.gz WKRJLVNMRFFIMV-LOWDOPEQSA-N 1 0 237.347 0.987 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CCN(CCO)CC2)C1 ZINC000619673343 369522831 /nfs/dbraw/zinc/52/28/31/369522831.db2.gz GXHZFMGVLYWDKL-WCQYABFASA-N 1 0 237.347 0.725 20 30 BCEDRO C=CCOCC[NH2+][C@H]1COC[C@H]1OC ZINC000459787369 203369955 /nfs/dbraw/zinc/36/99/55/203369955.db2.gz BYRKKABSULQQEO-VHSXEESVSA-N 1 0 201.266 0.192 20 30 BCEDRO N#Cc1ccc(CNC2CC[NH2+]CC2)o1 ZINC000600767699 369562657 /nfs/dbraw/zinc/56/26/57/369562657.db2.gz CHMXOUTXRUXEAL-UHFFFAOYSA-N 1 0 205.261 0.993 20 30 BCEDRO C[C@@H]1CN(Cc2ccc(C#N)o2)C[C@H]1[NH3+] ZINC000600767321 369563223 /nfs/dbraw/zinc/56/32/23/369563223.db2.gz ANQQLXZYPARPSS-LDYMZIIASA-N 1 0 205.261 0.930 20 30 BCEDRO N#Cc1ccc(CNC[C@H]2CCC[NH2+]2)o1 ZINC000600767172 369563650 /nfs/dbraw/zinc/56/36/50/369563650.db2.gz AAIIMDIPHXIRKM-SECBINFHSA-N 1 0 205.261 0.993 20 30 BCEDRO N#Cc1ccncc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600885682 369571914 /nfs/dbraw/zinc/57/19/14/369571914.db2.gz JXHHTFWSVUMQBO-PHIMTYICSA-N 1 0 214.272 0.894 20 30 BCEDRO N#Cc1cc(CN2CC[C@@](F)(CO)C2)ccn1 ZINC000619816196 369601319 /nfs/dbraw/zinc/60/13/19/369601319.db2.gz OYVQBKOHGNZZPV-LBPRGKRZSA-N 1 0 235.262 0.860 20 30 BCEDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1cccc(C#N)c1 ZINC000601291017 369619551 /nfs/dbraw/zinc/61/95/51/369619551.db2.gz DXTVBLOANLUEKL-WQAKAFBOSA-N 1 0 232.283 0.969 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000619872736 369624332 /nfs/dbraw/zinc/62/43/32/369624332.db2.gz IMHVPXYHXFAUIR-UHFFFAOYSA-N 1 0 232.287 0.709 20 30 BCEDRO Cc1[nH]nc(NC(=O)C[C@H]2CC[N@@H+](C)C2)c1C#N ZINC000602190013 369757942 /nfs/dbraw/zinc/75/79/42/369757942.db2.gz QKIAAPWAJNMXKZ-SECBINFHSA-N 1 0 247.302 0.870 20 30 BCEDRO N#Cc1cc(N2CC[C@H]3CC[NH2+][C@H]3C2)ncn1 ZINC000601980752 369730988 /nfs/dbraw/zinc/73/09/88/369730988.db2.gz OHWXBPXCOHYUFD-KOLCDFICSA-N 1 0 229.287 0.536 20 30 BCEDRO CN1C[C@H]([NH2+]Cc2cccc(C#N)n2)CC1=O ZINC000602526366 369805800 /nfs/dbraw/zinc/80/58/00/369805800.db2.gz JXRMTKXDMWPPML-LLVKDONJSA-N 1 0 230.271 0.274 20 30 BCEDRO CCN(CC[NH3+])C(=O)Cc1ccc(C#N)nc1 ZINC000602535774 369806846 /nfs/dbraw/zinc/80/68/46/369806846.db2.gz SHNZNEBSNFQEEK-UHFFFAOYSA-N 1 0 232.287 0.303 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@H]2CCOC2)n1 ZINC000602571783 369816514 /nfs/dbraw/zinc/81/65/14/369816514.db2.gz OBXJTTNIOMYJPF-LLVKDONJSA-N 1 0 203.245 0.832 20 30 BCEDRO N#Cc1cccc(C[NH2+]C2(CO)CC2)n1 ZINC000602596010 369823522 /nfs/dbraw/zinc/82/35/22/369823522.db2.gz ZZWJSOVONQWKTH-UHFFFAOYSA-N 1 0 203.245 0.568 20 30 BCEDRO N#Cc1cccc(NC(=O)[C@@H]2CCO[C@H]2C[NH3+])c1 ZINC000602605049 369825936 /nfs/dbraw/zinc/82/59/36/369825936.db2.gz SHPSGHNTXVYZNV-NEPJUHHUSA-N 1 0 245.282 0.861 20 30 BCEDRO N#Cc1cccc(C[NH2+]C2(CC(N)=O)CCC2)n1 ZINC000602614700 369827370 /nfs/dbraw/zinc/82/73/70/369827370.db2.gz GDFZUHXXFWTDIN-UHFFFAOYSA-N 1 0 244.298 0.841 20 30 BCEDRO CO[C@@]1(C[NH2+]Cc2cccc(C#N)n2)CCOC1 ZINC000602617014 369828782 /nfs/dbraw/zinc/82/87/82/369828782.db2.gz MNVBWZPWHZVGED-CYBMUJFWSA-N 1 0 247.298 0.848 20 30 BCEDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602644388 369833137 /nfs/dbraw/zinc/83/31/37/369833137.db2.gz NENMQNWORCGTNT-ZDUSSCGKSA-N 1 0 244.298 0.651 20 30 BCEDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602655430 369835258 /nfs/dbraw/zinc/83/52/58/369835258.db2.gz KRTGOKXWNTZWIT-JOYOIKCWSA-N 1 0 244.298 0.567 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000620219874 369776367 /nfs/dbraw/zinc/77/63/67/369776367.db2.gz CJYKHXCBRIQVET-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C[NH+](C)CCn1cc(NC(=O)C(C)(C)C#N)cn1 ZINC000061635092 369785910 /nfs/dbraw/zinc/78/59/10/369785910.db2.gz POLRIKNOQAVWMD-UHFFFAOYSA-N 1 0 249.318 0.933 20 30 BCEDRO CC(C)([NH3+])CNC(=O)Cc1ccc(C#N)nc1 ZINC000602432662 369786833 /nfs/dbraw/zinc/78/68/33/369786833.db2.gz IXIILMFUBNHIQZ-UHFFFAOYSA-N 1 0 232.287 0.349 20 30 BCEDRO CC[NH2+]CCCNC(=O)Cc1ccc(C#N)nc1 ZINC000602424880 369787259 /nfs/dbraw/zinc/78/72/59/369787259.db2.gz MQENIIWTLIJLGQ-UHFFFAOYSA-N 1 0 246.314 0.612 20 30 BCEDRO N#Cc1ccc(CC(=O)N2CCC[C@H]([NH3+])C2)cn1 ZINC000602421947 369787362 /nfs/dbraw/zinc/78/73/62/369787362.db2.gz QOTLNICAYSBKET-NSHDSACASA-N 1 0 244.298 0.445 20 30 BCEDRO N#Cc1cccc(CN2CCCC[C@@H]2C(N)=O)n1 ZINC000602432920 369788385 /nfs/dbraw/zinc/78/83/85/369788385.db2.gz KCMRIYLJHYEWOF-GFCCVEGCSA-N 1 0 244.298 0.793 20 30 BCEDRO C[C@@H](C[NH3+])N(C)C(=O)Cc1ccc(C#N)nc1 ZINC000602432935 369788533 /nfs/dbraw/zinc/78/85/33/369788533.db2.gz IPWXVICUIIFZKA-VIFPVBQESA-N 1 0 232.287 0.301 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](CO)C2)n1 ZINC000602456072 369789912 /nfs/dbraw/zinc/78/99/12/369789912.db2.gz ZPRGQMOLTVMVAB-SNVBAGLBSA-N 1 0 217.272 0.767 20 30 BCEDRO N#Cc1ccc(CC(=O)NCC2([NH3+])CCC2)cn1 ZINC000602486198 369794614 /nfs/dbraw/zinc/79/46/14/369794614.db2.gz SESSHYUZJMWATP-UHFFFAOYSA-N 1 0 244.298 0.493 20 30 BCEDRO CO[C@](C)(CO)C[NH2+]Cc1cccc(C#N)n1 ZINC000602707017 369844765 /nfs/dbraw/zinc/84/47/65/369844765.db2.gz SDOHLJMZCZAERV-LBPRGKRZSA-N 1 0 235.287 0.440 20 30 BCEDRO COC(=O)[C@H]1C[C@@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000602719781 369847351 /nfs/dbraw/zinc/84/73/51/369847351.db2.gz SXDOKWZAWZCEAL-WVSHTKLVSA-N 1 0 245.282 0.994 20 30 BCEDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000602895617 369861263 /nfs/dbraw/zinc/86/12/63/369861263.db2.gz BEEMCKXLQAALTJ-QWHCGFSZSA-N 1 0 247.298 0.271 20 30 BCEDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccccc1C#N ZINC000602898056 369861324 /nfs/dbraw/zinc/86/13/24/369861324.db2.gz KUKFJSXCHQIXCG-KBPBESRZSA-N 1 0 246.310 0.876 20 30 BCEDRO CC[NH2+]Cc1cn(Cc2ccnc(C#N)c2)nn1 ZINC000603223590 369899641 /nfs/dbraw/zinc/89/96/41/369899641.db2.gz SMUGGOJBIHSUCU-UHFFFAOYSA-N 1 0 242.286 0.703 20 30 BCEDRO N#Cc1ccc(CCn2cc(CC[NH3+])nn2)cc1 ZINC000603246662 369902890 /nfs/dbraw/zinc/90/28/90/369902890.db2.gz FIOUQMAEOOYIBG-UHFFFAOYSA-N 1 0 241.298 0.894 20 30 BCEDRO C[NH2+][C@H](C)c1cn(Cc2nc(C#N)cs2)nn1 ZINC000603249237 369903113 /nfs/dbraw/zinc/90/31/13/369903113.db2.gz PNEQKVFBTGSMLY-SSDOTTSWSA-N 1 0 248.315 0.935 20 30 BCEDRO C[NH+](C)CCn1cc([N+](=O)[O-])c(C#N)n1 ZINC000603357676 369937890 /nfs/dbraw/zinc/93/78/90/369937890.db2.gz FKQVYTLWEJEIAV-UHFFFAOYSA-N 1 0 209.209 0.225 20 30 BCEDRO Cc1cc(NC[C@H]2C[NH2+]CCN2C)cc(C#N)n1 ZINC000308246726 370115804 /nfs/dbraw/zinc/11/58/04/370115804.db2.gz YPIAHDIEVUOIST-CYBMUJFWSA-N 1 0 245.330 0.577 20 30 BCEDRO CCc1nc(C#N)cc(N2CC([NH+](C)C)C2)n1 ZINC000308170373 370107190 /nfs/dbraw/zinc/10/71/90/370107190.db2.gz QPFKRRQRSQDDSE-UHFFFAOYSA-N 1 0 231.303 0.661 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCC[NH2+]C1 ZINC000063093164 370130055 /nfs/dbraw/zinc/13/00/55/370130055.db2.gz UFKFQXIKIDUSQA-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000063093062 370130083 /nfs/dbraw/zinc/13/00/83/370130083.db2.gz OEHHNIYUIFEAON-VHSXEESVSA-N 1 0 209.293 0.889 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621159324 370131843 /nfs/dbraw/zinc/13/18/43/370131843.db2.gz IVSCOVGRZSSMHA-JQWIXIFHSA-N 1 0 226.320 0.380 20 30 BCEDRO C=C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)NC ZINC000621288062 370215693 /nfs/dbraw/zinc/21/56/93/370215693.db2.gz LHFKVVMYDPUUOH-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C=C[C@H]1CCCC[N@H+]1CCS(=O)(=O)NC ZINC000621288061 370216189 /nfs/dbraw/zinc/21/61/89/370216189.db2.gz LHFKVVMYDPUUOH-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C[C@@H](CC#N)N[C@@H](C)C(=O)NCC(F)(F)F ZINC000309749120 370252466 /nfs/dbraw/zinc/25/24/66/370252466.db2.gz JYQFEWLHJDPDKG-BQBZGAKWSA-N 1 0 237.225 0.945 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)Cc1ccnc(C#N)c1 ZINC000310136302 370305388 /nfs/dbraw/zinc/30/53/88/370305388.db2.gz ZKWMSUNCXPMKTR-SNVBAGLBSA-N 1 0 235.287 0.128 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621370209 370306605 /nfs/dbraw/zinc/30/66/05/370306605.db2.gz DRNYXLUUOVKOBI-VXGBXAGGSA-N 1 0 211.305 0.587 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC1CC1 ZINC000077194739 370399468 /nfs/dbraw/zinc/39/94/68/370399468.db2.gz JBDIVHMUVKZLJF-VIFPVBQESA-N 1 0 239.319 0.729 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784134 370535670 /nfs/dbraw/zinc/53/56/70/370535670.db2.gz KKMYEOCYDNLIRU-DYEKYZERSA-N 1 0 249.358 0.587 20 30 BCEDRO COCC[N@H+](CCO)CC1(CC#N)CC1 ZINC000123968357 371129167 /nfs/dbraw/zinc/12/91/67/371129167.db2.gz LJSLTRLVNPLBSO-UHFFFAOYSA-N 1 0 212.293 0.621 20 30 BCEDRO C[N@H+](CCO)CCC(=O)Nc1ccccc1C#N ZINC000037899268 371288797 /nfs/dbraw/zinc/28/87/97/371288797.db2.gz YUIMXDMTMSZKLO-UHFFFAOYSA-N 1 0 247.298 0.811 20 30 BCEDRO NC(=[NH2+])NCCNC(=O)c1ccccc1Cl ZINC000303260933 371659639 /nfs/dbraw/zinc/65/96/39/371659639.db2.gz NXOMAXNJCJWZLV-UHFFFAOYSA-N 1 0 240.694 0.343 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2O)n1 ZINC000602722915 371832420 /nfs/dbraw/zinc/83/24/20/371832420.db2.gz CESMAUJKEPQDGO-VXGBXAGGSA-N 1 0 233.271 0.193 20 30 BCEDRO Cn1cc(C[NH2+]Cc2cc(C#N)n(C)c2)cn1 ZINC000232314941 372123130 /nfs/dbraw/zinc/12/31/30/372123130.db2.gz YCKWGQXMZXRFPH-UHFFFAOYSA-N 1 0 229.287 0.920 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCCCC[C@@H]([NH3+])C1 ZINC000631832404 372616626 /nfs/dbraw/zinc/61/66/26/372616626.db2.gz FKUJUNKRWFAJQP-NWDGAFQWSA-N 1 0 239.363 0.880 20 30 BCEDRO C=C[C@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000632093058 372757879 /nfs/dbraw/zinc/75/78/79/372757879.db2.gz PKWSJZNTLKZKME-VIFPVBQESA-N 1 0 220.338 0.432 20 30 BCEDRO C=CCNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000171896335 372813629 /nfs/dbraw/zinc/81/36/29/372813629.db2.gz JDKHEUXPFRWYDF-JTQLQIEISA-N 1 0 209.293 0.662 20 30 BCEDRO C=CCNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000171896334 372814894 /nfs/dbraw/zinc/81/48/94/372814894.db2.gz JDKHEUXPFRWYDF-SNVBAGLBSA-N 1 0 209.293 0.662 20 30 BCEDRO C=CCCCS(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000632488599 372968109 /nfs/dbraw/zinc/96/81/09/372968109.db2.gz CYCUCCKFHYJVRX-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C(C)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632572223 373011884 /nfs/dbraw/zinc/01/18/84/373011884.db2.gz PNIKHJCGTXTFEH-UHFFFAOYSA-N 1 0 236.319 0.751 20 30 BCEDRO CC1(C#N)CC[NH+](CCn2cncn2)CC1 ZINC000380848756 373571142 /nfs/dbraw/zinc/57/11/42/373571142.db2.gz XIASCSHAKQDDLZ-UHFFFAOYSA-N 1 0 219.292 0.904 20 30 BCEDRO C=CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000633612049 373626686 /nfs/dbraw/zinc/62/66/86/373626686.db2.gz IQMXGFQZCYKJOS-UHFFFAOYSA-N 1 0 236.319 0.751 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@H](C)[NH3+] ZINC000633644060 373654479 /nfs/dbraw/zinc/65/44/79/373654479.db2.gz MRVUDCXPKGCVSQ-AEJSXWLSSA-N 1 0 227.308 0.366 20 30 BCEDRO C=C1CC(C)(C(=O)NCC[N@@H+]2CC[C@@H](O)C2)C1 ZINC000633689405 373687842 /nfs/dbraw/zinc/68/78/42/373687842.db2.gz MSTSTYNMHKWQDX-LLVKDONJSA-N 1 0 238.331 0.526 20 30 BCEDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000381335731 374112597 /nfs/dbraw/zinc/11/25/97/374112597.db2.gz VPTSXJQUDWZCFA-VHSXEESVSA-N 1 0 221.304 0.794 20 30 BCEDRO CC(C)[C@H](O)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424131315 206033436 /nfs/dbraw/zinc/03/34/36/206033436.db2.gz UTTUJBYVGPKGGB-GHMZBOCLSA-N 1 0 241.335 0.531 20 30 BCEDRO CNC(=O)C[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424328714 206037077 /nfs/dbraw/zinc/03/70/77/206037077.db2.gz OFERGFJKFQKZOZ-KXUCPTDWSA-N 1 0 209.293 0.793 20 30 BCEDRO CCOC(=O)COCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000459492118 206131820 /nfs/dbraw/zinc/13/18/20/206131820.db2.gz ZSOGHSSXYBZQCN-GHMZBOCLSA-N 1 0 240.303 0.848 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CCNS(=O)(=O)N(C)C ZINC000459544438 206133888 /nfs/dbraw/zinc/13/38/88/206133888.db2.gz ZLBVKBSDZQNJMW-JTQLQIEISA-N 1 0 249.380 0.327 20 30 BCEDRO Cc1cc(C[N@H+]2C[C@H](CO)[C@H](O)C2)ccc1C#N ZINC000459698284 206137229 /nfs/dbraw/zinc/13/72/29/206137229.db2.gz ITSICUUYCWNHLS-ZIAGYGMSSA-N 1 0 246.310 0.652 20 30 BCEDRO C=C(C)C[N@H+](C)CCCC(=O)NC(N)=O ZINC000181333232 134335525 /nfs/dbraw/zinc/33/55/25/134335525.db2.gz KUEAKIQUZVMDQB-UHFFFAOYSA-N 1 0 213.281 0.469 20 30 BCEDRO C[C@H]1CN(C)CCN1C(=O)C(C)(C)C#N ZINC000225229029 134352016 /nfs/dbraw/zinc/35/20/16/134352016.db2.gz CCKHTWHNSUOAPI-VIFPVBQESA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000227323782 134377652 /nfs/dbraw/zinc/37/76/52/134377652.db2.gz KJAGUKUXIZCUHQ-UTLUCORTSA-N 1 0 209.293 0.745 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)CCC(=O)NC(=O)NC ZINC000298425008 383879618 /nfs/dbraw/zinc/87/96/18/383879618.db2.gz GDLRMSGMOBWKLZ-UHFFFAOYSA-N 1 0 225.292 0.176 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000134959779 383850596 /nfs/dbraw/zinc/85/05/96/383850596.db2.gz NIIXIYGBFLEFKY-UHFFFAOYSA-N 1 0 218.260 0.272 20 30 BCEDRO C[C@@H](NC(=O)CC#N)C(C)(C)C[NH+](C)C ZINC000332465111 384001898 /nfs/dbraw/zinc/00/18/98/384001898.db2.gz JYIVCEAPKDBBLH-SECBINFHSA-N 1 0 211.309 0.993 20 30 BCEDRO Cc1ccc(C[NH2+]CCn2cnc(C#N)n2)o1 ZINC000285560691 383995906 /nfs/dbraw/zinc/99/59/06/383995906.db2.gz RMPWCKBCBKBVHJ-UHFFFAOYSA-N 1 0 231.259 0.841 20 30 BCEDRO Cn1nccc1CNC(=[NH2+])NC(C)(C)C ZINC000070906221 383957561 /nfs/dbraw/zinc/95/75/61/383957561.db2.gz YFSLVIFJKKEGOQ-UHFFFAOYSA-N 1 0 209.297 0.623 20 30 BCEDRO N#Cc1cccc(CNC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000334894291 383972394 /nfs/dbraw/zinc/97/23/94/383972394.db2.gz IZFJPZMIQBFGPF-LBPRGKRZSA-N 1 0 244.298 0.719 20 30 BCEDRO COC[C@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000234794391 384018949 /nfs/dbraw/zinc/01/89/49/384018949.db2.gz LLPHZRSFCRUVOI-LBPRGKRZSA-N 1 0 220.272 0.655 20 30 BCEDRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000569449669 384052880 /nfs/dbraw/zinc/05/28/80/384052880.db2.gz OOIOJAFMMYOMAQ-WOPDTQHZSA-N 1 0 243.351 0.206 20 30 BCEDRO C=CCn1cc(C(=O)N2CC[NH2+][C@H](C)[C@H]2C)nn1 ZINC000648127960 384056160 /nfs/dbraw/zinc/05/61/60/384056160.db2.gz UEJDJZRZFQBAMO-NXEZZACHSA-N 1 0 249.318 0.287 20 30 BCEDRO C#CCC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000363460679 384062960 /nfs/dbraw/zinc/06/29/60/384062960.db2.gz IZJQULWCNMIMNL-ZDUSSCGKSA-N 1 0 222.332 0.664 20 30 BCEDRO CCOC[C@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000309623177 384100225 /nfs/dbraw/zinc/10/02/25/384100225.db2.gz FSYOFHAMFUQFHX-VIFPVBQESA-N 1 0 223.280 0.164 20 30 BCEDRO C[C@H](CO)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000289478944 384111332 /nfs/dbraw/zinc/11/13/32/384111332.db2.gz QEQVRMORSIPHRG-SECBINFHSA-N 1 0 207.277 0.709 20 30 BCEDRO C#CCCCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367037003 533031892 /nfs/dbraw/zinc/03/18/92/533031892.db2.gz JGKDBBLRJJOVTJ-ZDUSSCGKSA-N 1 0 249.358 0.296 20 30 BCEDRO C#CCCNC(N[C@@H]1C[C@@H](OC)C1(C)C)=[NH+]C ZINC000261632687 533044694 /nfs/dbraw/zinc/04/46/94/533044694.db2.gz CROZSJRMCYJCNW-GHMZBOCLSA-N 1 0 237.347 0.988 20 30 BCEDRO CC[C@H](CO)[NH2+]Cc1nc(C#N)cs1 ZINC000336653127 384245437 /nfs/dbraw/zinc/24/54/37/384245437.db2.gz LHTRBGWMPFSGTJ-SSDOTTSWSA-N 1 0 211.290 0.875 20 30 BCEDRO C[C@H](CCO)[NH2+]Cc1nc(C#N)cs1 ZINC000336677084 384251565 /nfs/dbraw/zinc/25/15/65/384251565.db2.gz CXDBZDJJYWZLJW-SSDOTTSWSA-N 1 0 211.290 0.875 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]2[NH2+]CC2(C)C)nn1 ZINC000644165938 384257346 /nfs/dbraw/zinc/25/73/46/384257346.db2.gz FLACHUHNHOXERS-SNVBAGLBSA-N 1 0 249.318 0.078 20 30 BCEDRO C[N@H+](CCOc1ccc(C#N)cc1)CCC(N)=O ZINC000286291956 384262669 /nfs/dbraw/zinc/26/26/69/384262669.db2.gz CYHLTFCHLJOQMK-UHFFFAOYSA-N 1 0 247.298 0.744 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1nc(C)cc(C#N)n1 ZINC000287482814 384308006 /nfs/dbraw/zinc/30/80/06/384308006.db2.gz XPEZTRVAUIOQME-NSHDSACASA-N 1 0 235.291 0.432 20 30 BCEDRO CC(C)(C#N)CC[NH+](CCO)CCO ZINC000083640330 384316015 /nfs/dbraw/zinc/31/60/15/384316015.db2.gz OPUQJIGGTRNAOS-UHFFFAOYSA-N 1 0 200.282 0.213 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2cc(C)ncn2)CC1 ZINC000293209579 533054467 /nfs/dbraw/zinc/05/44/67/533054467.db2.gz PHQHVYACENHHCH-UHFFFAOYSA-N 1 0 244.342 0.926 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]([NH+]2CCCCC2)C1 ZINC000490627530 384278591 /nfs/dbraw/zinc/27/85/91/384278591.db2.gz BSPSEBMHGPNIHB-LBPRGKRZSA-N 1 0 235.331 0.889 20 30 BCEDRO CN(CC#N)CCC[NH+]1CCN(C)CC1 ZINC000174714274 384353809 /nfs/dbraw/zinc/35/38/09/384353809.db2.gz LLWGJMIQXYXODH-UHFFFAOYSA-N 1 0 210.325 0.079 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C(N)=O)[C@H](C(F)(F)F)C1 ZINC000375507243 533057089 /nfs/dbraw/zinc/05/70/89/533057089.db2.gz VQCAJFQTLBYKBT-HTQZYQBOSA-N 1 0 234.221 0.605 20 30 BCEDRO CCS(=O)(=O)NCCN[C@@H]1CCC[C@@H]1C#N ZINC000330364039 384364032 /nfs/dbraw/zinc/36/40/32/384364032.db2.gz CIIPHVPMKGHUPS-NXEZZACHSA-N 1 0 245.348 0.208 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335569912 384330867 /nfs/dbraw/zinc/33/08/67/384330867.db2.gz KFLQXSKLHUQMJS-ZYHUDNBSSA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335569908 384331033 /nfs/dbraw/zinc/33/10/33/384331033.db2.gz KFLQXSKLHUQMJS-JQWIXIFHSA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000335569907 384331937 /nfs/dbraw/zinc/33/19/37/384331937.db2.gz KFLQXSKLHUQMJS-CMPLNLGQSA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@H](CNC(=O)C1(C#N)CCC1)[NH+](C)C ZINC000083795570 384331858 /nfs/dbraw/zinc/33/18/58/384331858.db2.gz DNNBVDXMZWNTCM-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000643599962 384414133 /nfs/dbraw/zinc/41/41/33/384414133.db2.gz JMNNOIFJKAJXAI-NXEZZACHSA-N 1 0 212.293 0.385 20 30 BCEDRO C[C@H](NCc1nnn(C)n1)c1ccc(C#N)cc1 ZINC000235515673 384427187 /nfs/dbraw/zinc/42/71/87/384427187.db2.gz ILOKJZYDVASSFY-VIFPVBQESA-N 1 0 242.286 0.933 20 30 BCEDRO CO/N=C/c1ccc(C(=O)NCCC[NH3+])cc1 ZINC000160043728 384381081 /nfs/dbraw/zinc/38/10/81/384381081.db2.gz PIUQLPJDEACGJA-OQLLNIDSSA-N 1 0 235.287 0.746 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000334192763 384382291 /nfs/dbraw/zinc/38/22/91/384382291.db2.gz JPNYMGVUBZZTBA-KOLCDFICSA-N 1 0 221.304 0.699 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000648179973 384453458 /nfs/dbraw/zinc/45/34/58/384453458.db2.gz UKYFXCMFDHEKQT-KNZXXDILSA-N 1 0 236.315 0.444 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000231040473 259651592 /nfs/dbraw/zinc/65/15/92/259651592.db2.gz PLPZEGGQPGGCFN-MNOVXSKESA-N 1 0 226.320 0.121 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NCC#N)C1CCCC1 ZINC000069804718 134408370 /nfs/dbraw/zinc/40/83/70/134408370.db2.gz HNLLLUSHZKZWEC-VIFPVBQESA-N 1 0 209.293 0.794 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@]2(CO)CCOC2)C1 ZINC000308901595 384436653 /nfs/dbraw/zinc/43/66/53/384436653.db2.gz HGDLSTMJDPPOMI-OUAUKWLOSA-N 1 0 210.277 0.420 20 30 BCEDRO C#CCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C(C)C ZINC000368103316 533064192 /nfs/dbraw/zinc/06/41/92/533064192.db2.gz UWYLJOZXGKPDBC-GHMZBOCLSA-N 1 0 208.305 0.760 20 30 BCEDRO COc1cccc([C@H](C)[NH2+]CC(=O)NCC#N)c1 ZINC000148346469 384463860 /nfs/dbraw/zinc/46/38/60/384463860.db2.gz GGEVXGNEZFQZKE-JTQLQIEISA-N 1 0 247.298 0.986 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000556740546 384467951 /nfs/dbraw/zinc/46/79/51/384467951.db2.gz AYPPFABAIPZYOD-MXWKQRLJSA-N 1 0 238.335 0.880 20 30 BCEDRO C#CCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000367481314 533065138 /nfs/dbraw/zinc/06/51/38/533065138.db2.gz SQBLCNDUOWZXLY-NSHDSACASA-N 1 0 224.304 0.235 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000159729008 384480890 /nfs/dbraw/zinc/48/08/90/384480890.db2.gz YVMOSHOAMXWCFK-GFCCVEGCSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C(C)CC[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000556811740 384498484 /nfs/dbraw/zinc/49/84/84/384498484.db2.gz HKOQMZPFCGOYSB-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO NC(=[NH2+])NCc1cccc(CN2CCOCC2)c1 ZINC000161521342 384499825 /nfs/dbraw/zinc/49/98/25/384499825.db2.gz BJZZRWFMOPYYBU-UHFFFAOYSA-N 1 0 248.330 0.292 20 30 BCEDRO CN(C(=[NH2+])NCCCN1CCOC1=O)C1CC1 ZINC000181474796 384506156 /nfs/dbraw/zinc/50/61/56/384506156.db2.gz FVRJHGHBOHBHSX-UHFFFAOYSA-N 1 0 240.307 0.238 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000533545432 384529554 /nfs/dbraw/zinc/52/95/54/384529554.db2.gz XGTQRDZXFOYEOS-VIFPVBQESA-N 1 0 218.322 0.186 20 30 BCEDRO CC(C)(C)[C@H](CCO)[NH2+]CC(=O)NCC#N ZINC000183677657 384554489 /nfs/dbraw/zinc/55/44/89/384554489.db2.gz BAOSEXIWSCESCL-VIFPVBQESA-N 1 0 227.308 0.013 20 30 BCEDRO C#CCCS(=O)(=O)N1CCC[N@@H+](CC)CC1 ZINC000377299974 533074089 /nfs/dbraw/zinc/07/40/89/533074089.db2.gz KOMUZGUPLDNKGZ-UHFFFAOYSA-N 1 0 244.360 0.367 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000309734906 384571095 /nfs/dbraw/zinc/57/10/95/384571095.db2.gz CDDXWAWPXVLPRO-DMDPSCGWSA-N 1 0 224.348 0.996 20 30 BCEDRO CNS(=O)(=O)CCC[NH+]1CCC(C#N)CC1 ZINC000111209646 384576406 /nfs/dbraw/zinc/57/64/06/384576406.db2.gz PXFCEWMQWJYLRK-UHFFFAOYSA-N 1 0 245.348 0.161 20 30 BCEDRO C[NH+](C)CCNC(=O)C1(C#N)CCCC1 ZINC000044300132 384578698 /nfs/dbraw/zinc/57/86/98/384578698.db2.gz PPOQSEPUFGOOPW-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000070558769 384583731 /nfs/dbraw/zinc/58/37/31/384583731.db2.gz LBJHISRDYIZWDJ-LBPRGKRZSA-N 1 0 220.272 0.655 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(c2cncc(C#N)n2)C1 ZINC000564894015 384587322 /nfs/dbraw/zinc/58/73/22/384587322.db2.gz YGCONILTVYEIEL-SNVBAGLBSA-N 1 0 231.303 0.736 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCC[NH2+]CC ZINC000491753624 384565871 /nfs/dbraw/zinc/56/58/71/384565871.db2.gz ZYUKQESRFYKCHB-JTQLQIEISA-N 1 0 211.309 0.697 20 30 BCEDRO C=CCCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000117882065 384606867 /nfs/dbraw/zinc/60/68/67/384606867.db2.gz BWQMBAGITCHQDB-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N(C)CC[NH3+] ZINC000565150007 384614295 /nfs/dbraw/zinc/61/42/95/384614295.db2.gz GFAFNXJXDJLOAD-SNVBAGLBSA-N 1 0 247.298 0.743 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000491771036 384626961 /nfs/dbraw/zinc/62/69/61/384626961.db2.gz NRNJEDFYJUDXHY-QWRGUYRKSA-N 1 0 239.319 0.076 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)SC ZINC000491392212 384672363 /nfs/dbraw/zinc/67/23/63/384672363.db2.gz AUNRSZDBUOMWGP-VIFPVBQESA-N 1 0 214.334 0.467 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)COc1ccccc1C ZINC000491778528 384673942 /nfs/dbraw/zinc/67/39/42/384673942.db2.gz YJMMHRVKPQZGEN-STQMWFEESA-N 1 0 249.310 0.318 20 30 BCEDRO C[C@@H](CNC(=O)C1(C#N)CCC1)C[NH+](C)C ZINC000336653581 384634406 /nfs/dbraw/zinc/63/44/06/384634406.db2.gz GEGSANYJDQEMOF-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@H](CNC(=O)C1(C#N)CCC1)C[NH+](C)C ZINC000336653587 384635062 /nfs/dbraw/zinc/63/50/62/384635062.db2.gz GEGSANYJDQEMOF-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000491384821 384654262 /nfs/dbraw/zinc/65/42/62/384654262.db2.gz PSUHDIIAHLGLGD-WCQYABFASA-N 1 0 236.315 0.283 20 30 BCEDRO CN1CCC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1=O ZINC000309664583 384704884 /nfs/dbraw/zinc/70/48/84/384704884.db2.gz STQBQWDDKWEKSZ-AXFHLTTASA-N 1 0 221.304 0.889 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C#N)CC)CC1 ZINC000102352175 384707576 /nfs/dbraw/zinc/70/75/76/384707576.db2.gz JMKSNBCQQBLBIT-GFCCVEGCSA-N 1 0 233.315 0.750 20 30 BCEDRO CN1C(=O)N[C@@H]2C[N@@H+](CCCCC#N)CC[C@@H]21 ZINC000408043836 384733131 /nfs/dbraw/zinc/73/31/31/384733131.db2.gz RDAQZWZJEUGGIR-MNOVXSKESA-N 1 0 236.319 0.778 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000644198780 384753709 /nfs/dbraw/zinc/75/37/09/384753709.db2.gz LELWHBZWWOQPHD-DCAQKATOSA-N 1 0 239.319 0.239 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC1C[NH2+]C1 ZINC000644198781 384754271 /nfs/dbraw/zinc/75/42/71/384754271.db2.gz MRURTSRNGPATQG-QWRGUYRKSA-N 1 0 239.319 0.096 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)[NH3+] ZINC000644198913 384754301 /nfs/dbraw/zinc/75/43/01/384754301.db2.gz CQDNXEOHJIRHTB-UTLUCORTSA-N 1 0 227.308 0.224 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1C=CCCC1 ZINC000518168919 384757725 /nfs/dbraw/zinc/75/77/25/384757725.db2.gz LRTLTQFOYMPBNS-CHWSQXEVSA-N 1 0 237.347 0.891 20 30 BCEDRO C#CC[C@H](C)NC(=O)NCCC[N@H+](C)CC#C ZINC000491801029 384764370 /nfs/dbraw/zinc/76/43/70/384764370.db2.gz BQHRJQNOODEAAT-LBPRGKRZSA-N 1 0 235.331 0.653 20 30 BCEDRO CC[C@H](O)C[NH2+]Cc1nc(C#N)cs1 ZINC000308597068 384833809 /nfs/dbraw/zinc/83/38/09/384833809.db2.gz MZMAGFTXXQBTMC-QMMMGPOBSA-N 1 0 211.290 0.875 20 30 BCEDRO C=CCCOCC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000648189411 384800269 /nfs/dbraw/zinc/80/02/69/384800269.db2.gz QJTRZNYIFSCJFZ-VHSXEESVSA-N 1 0 214.309 0.821 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644298928 384810201 /nfs/dbraw/zinc/81/02/01/384810201.db2.gz IBOMUXZOTMLFDY-QWRGUYRKSA-N 1 0 244.360 0.528 20 30 BCEDRO C=CCOCC[NH2+]Cc1cncnc1OC ZINC000647200070 384879392 /nfs/dbraw/zinc/87/93/92/384879392.db2.gz HEOLPHIWNWKQKW-UHFFFAOYSA-N 1 0 223.276 0.777 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339753762 384883776 /nfs/dbraw/zinc/88/37/76/384883776.db2.gz VAYQSZZMENVWSI-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CO)CC1 ZINC000339753755 384884769 /nfs/dbraw/zinc/88/47/69/384884769.db2.gz VAYQSZZMENVWSI-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@H]2CCCC[NH2+]2)nn1 ZINC000647577890 384840052 /nfs/dbraw/zinc/84/00/52/384840052.db2.gz WDLAVVAJLZKVDQ-SNVBAGLBSA-N 1 0 249.318 0.336 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000336672756 384846155 /nfs/dbraw/zinc/84/61/55/384846155.db2.gz JBADETRSKDTEPZ-WDEREUQCSA-N 1 0 221.304 0.794 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000646903291 384852339 /nfs/dbraw/zinc/85/23/39/384852339.db2.gz GUORJYKNSMJHQX-NEPJUHHUSA-N 1 0 240.347 0.627 20 30 BCEDRO C[N@H+](CCOCCO)CCC(C)(C)C#N ZINC000301046953 384853304 /nfs/dbraw/zinc/85/33/04/384853304.db2.gz PCQXDPDCDNULGA-UHFFFAOYSA-N 1 0 214.309 0.867 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCCNC(=O)C1 ZINC000320329263 384939478 /nfs/dbraw/zinc/93/94/78/384939478.db2.gz YRNUQSLPIDHNLK-QWRGUYRKSA-N 1 0 226.320 0.572 20 30 BCEDRO Cn1ncc(C(=O)NCC[N@H+](C)C2CC2)c1C#N ZINC000355137067 384946330 /nfs/dbraw/zinc/94/63/30/384946330.db2.gz SSGLFFLSUAROEQ-UHFFFAOYSA-N 1 0 247.302 0.116 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]Cc1cccc(C#N)c1 ZINC000135502868 384986879 /nfs/dbraw/zinc/98/68/79/384986879.db2.gz DHJFPAGJJJIKMP-VIFPVBQESA-N 1 0 217.272 0.912 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)Cc1ccnn1C ZINC000293912815 533099443 /nfs/dbraw/zinc/09/94/43/533099443.db2.gz GGQAYYLEVKGYMO-UHFFFAOYSA-N 1 0 248.330 0.034 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[C@@H]([NH2+]C)C1 ZINC000226717981 385049936 /nfs/dbraw/zinc/04/99/36/385049936.db2.gz GKWDCTGBFSNMSA-WDEREUQCSA-N 1 0 225.336 0.361 20 30 BCEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)[C@@H](C)C#N ZINC000516661568 385053556 /nfs/dbraw/zinc/05/35/56/385053556.db2.gz MHTXGUWUERBXOH-QWRGUYRKSA-N 1 0 241.335 0.355 20 30 BCEDRO N#Cc1csc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)n1 ZINC000599002438 385083990 /nfs/dbraw/zinc/08/39/90/385083990.db2.gz ADDWJHSYILEHFS-LJGSYFOKSA-N 1 0 236.300 0.368 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)Cn1cccn1 ZINC000105931564 385059641 /nfs/dbraw/zinc/05/96/41/385059641.db2.gz NNEOLLWPBNWKOJ-JTQLQIEISA-N 1 0 222.292 0.163 20 30 BCEDRO CN(C)C(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245565246 385027236 /nfs/dbraw/zinc/02/72/36/385027236.db2.gz WMIKREOUEBDPQE-OPRDCNLKSA-N 1 0 223.320 0.820 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000557595624 385032402 /nfs/dbraw/zinc/03/24/02/385032402.db2.gz IBWHBRZCRVEJJT-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N1CCCO1 ZINC000297188137 533102190 /nfs/dbraw/zinc/10/21/90/533102190.db2.gz BXIKYQKKAANRTM-UHFFFAOYSA-N 1 0 225.292 0.288 20 30 BCEDRO C=CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334144392 385041458 /nfs/dbraw/zinc/04/14/58/385041458.db2.gz XRQSIPAJWGYSIU-UWVGGRQHSA-N 1 0 211.309 0.954 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NCC(=C)C ZINC000296678237 533104251 /nfs/dbraw/zinc/10/42/51/533104251.db2.gz CCCGTTSBOZOBQP-UHFFFAOYSA-N 1 0 223.320 0.817 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000646997527 385129525 /nfs/dbraw/zinc/12/95/25/385129525.db2.gz WNYZUNCJNLSPGY-WDEREUQCSA-N 1 0 226.320 0.965 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)CCCO)CC1 ZINC000491209470 385139690 /nfs/dbraw/zinc/13/96/90/385139690.db2.gz HQSZXWLHSSHILD-UHFFFAOYSA-N 1 0 238.331 0.172 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1 ZINC000599004068 385088339 /nfs/dbraw/zinc/08/83/39/385088339.db2.gz QUYGHCLHEXVMJX-HAQNSBGRSA-N 1 0 229.283 0.912 20 30 BCEDRO C[NH+](C)[C@H]1CCN(C(=O)c2cc(C#N)ccn2)C1 ZINC000289233178 385192855 /nfs/dbraw/zinc/19/28/55/385192855.db2.gz UQDBDUDDSLBMFS-NSHDSACASA-N 1 0 244.298 0.729 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647012242 385145315 /nfs/dbraw/zinc/14/53/15/385145315.db2.gz QSNMJRLAWIPOPV-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000157361562 385150289 /nfs/dbraw/zinc/15/02/89/385150289.db2.gz SAKRWOMKZLNADX-YNEHKIRRSA-N 1 0 243.347 0.785 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177981142 385158193 /nfs/dbraw/zinc/15/81/93/385158193.db2.gz ZOJNZKNWQVOIHP-CMPLNLGQSA-N 1 0 239.319 0.204 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccco1 ZINC000294026213 533107517 /nfs/dbraw/zinc/10/75/17/533107517.db2.gz RCPKQTPFHMDNGE-UHFFFAOYSA-N 1 0 220.272 0.965 20 30 BCEDRO COCC#CCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000644784207 385169374 /nfs/dbraw/zinc/16/93/74/385169374.db2.gz GDWBIMQHQOAOFZ-ZDUSSCGKSA-N 1 0 222.332 0.664 20 30 BCEDRO C=CCCOCC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000647089136 385256323 /nfs/dbraw/zinc/25/63/23/385256323.db2.gz CDTZVFIGVIERBE-LLVKDONJSA-N 1 0 242.319 0.155 20 30 BCEDRO CCN(C)C(=O)[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189599256 385218810 /nfs/dbraw/zinc/21/88/10/385218810.db2.gz ZLKGIDFCNSKMLY-SNVBAGLBSA-N 1 0 248.330 0.853 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000643607769 385221029 /nfs/dbraw/zinc/22/10/29/385221029.db2.gz ZFKLKABMKLYRAH-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCOCC(=O)N(C)C1CC([NH3+])C1 ZINC000647073481 385228436 /nfs/dbraw/zinc/22/84/36/385228436.db2.gz XKVCZPTVURWDKE-UHFFFAOYSA-N 1 0 212.293 0.527 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000647082876 385242840 /nfs/dbraw/zinc/24/28/40/385242840.db2.gz PVUOTGXPWFHFBG-QWRGUYRKSA-N 1 0 226.320 0.823 20 30 BCEDRO CNC(=O)C[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308947557 385310225 /nfs/dbraw/zinc/31/02/25/385310225.db2.gz OFERGFJKFQKZOZ-GUBZILKMSA-N 1 0 209.293 0.793 20 30 BCEDRO C#CCNC(=O)CCN[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000491633446 385263824 /nfs/dbraw/zinc/26/38/24/385263824.db2.gz QDHJSHZHJSHCLT-QWHCGFSZSA-N 1 0 249.358 0.342 20 30 BCEDRO N#CCCCN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178470530 385285062 /nfs/dbraw/zinc/28/50/62/385285062.db2.gz BGSKWUCASTUOIH-CYBMUJFWSA-N 1 0 237.347 0.944 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCC[NH2+]CCOC ZINC000491266803 385289174 /nfs/dbraw/zinc/28/91/74/385289174.db2.gz QPSLRRAGEUIFJQ-NSHDSACASA-N 1 0 241.335 0.324 20 30 BCEDRO C=CCCOCC[NH2+]C[C@H](O)CSC ZINC000562990909 385333902 /nfs/dbraw/zinc/33/39/02/385333902.db2.gz JNSVICKDZDSMOP-JTQLQIEISA-N 1 0 219.350 0.893 20 30 BCEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@H](C#N)C2)C[C@H]1C(N)=O ZINC000407995938 385336871 /nfs/dbraw/zinc/33/68/71/385336871.db2.gz JPNBXZZWQRULSQ-LMLFDSFASA-N 1 0 221.304 0.732 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3cccc(C#N)n3)C[C@H]21 ZINC000407995704 385336936 /nfs/dbraw/zinc/33/69/36/385336936.db2.gz IULCJMRLAGUISP-VXGBXAGGSA-N 1 0 244.298 0.472 20 30 BCEDRO C#CC(C)(C)[N@H+](C)CCC(=O)N1CCOCC1 ZINC000491315713 385340715 /nfs/dbraw/zinc/34/07/15/385340715.db2.gz PUCMCMBJCPMULY-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO N#CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000408002146 385361160 /nfs/dbraw/zinc/36/11/60/385361160.db2.gz LRVNNEGIGLLUQC-LLVKDONJSA-N 1 0 237.303 0.270 20 30 BCEDRO CC(C)NC(=O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309018617 385372969 /nfs/dbraw/zinc/37/29/69/385372969.db2.gz VRDRCKKJYPLDNI-UWVGGRQHSA-N 1 0 209.293 0.793 20 30 BCEDRO COC[C@H](O)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309048513 385382900 /nfs/dbraw/zinc/38/29/00/385382900.db2.gz PPLMEHOFQUSWET-OUAUKWLOSA-N 1 0 212.293 0.666 20 30 BCEDRO CCNC(=O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309066463 385392405 /nfs/dbraw/zinc/39/24/05/385392405.db2.gz ZSDAMIXETNMPIE-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO CS(=O)(=O)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309080995 385400664 /nfs/dbraw/zinc/40/06/64/385400664.db2.gz PNLNAUUGUCNXID-VHSXEESVSA-N 1 0 230.333 0.703 20 30 BCEDRO CN1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1=O ZINC000309099968 385408864 /nfs/dbraw/zinc/40/88/64/385408864.db2.gz GGPZQTFIEDARTN-IVZWLZJFSA-N 1 0 207.277 0.499 20 30 BCEDRO CN(C)C(=[NH2+])NCC(=O)Nc1ccccc1 ZINC000170908509 385454854 /nfs/dbraw/zinc/45/48/54/385454854.db2.gz PRAUDKSIAPWSOT-UHFFFAOYSA-N 1 0 220.276 0.501 20 30 BCEDRO CCNC(=O)c1cccc(CNC(=[NH2+])N(C)C)c1 ZINC000170907055 385455175 /nfs/dbraw/zinc/45/51/75/385455175.db2.gz KVTIGFNNZTXYDF-UHFFFAOYSA-N 1 0 248.330 0.813 20 30 BCEDRO CN(C)C(=[NH2+])NCc1cccc2c1OCO2 ZINC000170908928 385455178 /nfs/dbraw/zinc/45/51/78/385455178.db2.gz JVPIJJRMUGUMEB-UHFFFAOYSA-N 1 0 221.260 0.792 20 30 BCEDRO [NH2+]=C(NCCc1ccccc1O)N1CCOCC1 ZINC000170908386 385455199 /nfs/dbraw/zinc/45/51/99/385455199.db2.gz IIEZWVWRJRNKNP-UHFFFAOYSA-N 1 0 249.314 0.582 20 30 BCEDRO C=CCCOCC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000644087686 385435595 /nfs/dbraw/zinc/43/55/95/385435595.db2.gz UDGZDVJDNAGCNS-GFCCVEGCSA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000644086908 385437914 /nfs/dbraw/zinc/43/79/14/385437914.db2.gz AEAMRCYOAKDUHN-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000644104240 385477850 /nfs/dbraw/zinc/47/78/50/385477850.db2.gz FDGLBGIDWONFBY-WDEREUQCSA-N 1 0 226.320 0.775 20 30 BCEDRO C[NH+]=C(NCc1ccc(C(N)=O)cc1)NC1CC1 ZINC000171411595 385482558 /nfs/dbraw/zinc/48/25/58/385482558.db2.gz YHOIRWQQLHADKV-UHFFFAOYSA-N 1 0 246.314 0.613 20 30 BCEDRO C=CCCCNC(=O)NCCOCC[NH+](C)C ZINC000448388936 385484963 /nfs/dbraw/zinc/48/49/63/385484963.db2.gz NMXBILIPZCGPOE-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C#CCNC(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000491372214 385460820 /nfs/dbraw/zinc/46/08/20/385460820.db2.gz IPKFHMDFGIJHII-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000491675952 385462435 /nfs/dbraw/zinc/46/24/35/385462435.db2.gz VPEQPHNQDCVFLN-SNVBAGLBSA-N 1 0 247.298 0.577 20 30 BCEDRO C=CCCOCC(=O)NC1(C)CC[NH2+]CC1 ZINC000644122615 385502487 /nfs/dbraw/zinc/50/24/87/385502487.db2.gz KRSSLLCIYVSDFH-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000368532382 533125628 /nfs/dbraw/zinc/12/56/28/533125628.db2.gz YMZDTTKIDAHZOL-STQMWFEESA-N 1 0 245.326 0.846 20 30 BCEDRO C=CCCC[N@@H+](C)CCNS(C)(=O)=O ZINC000172180649 385523871 /nfs/dbraw/zinc/52/38/71/385523871.db2.gz JCWZBTJRNILZOU-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO C[C@H]1C[N@H+](CCO)CCN1c1ccnc(C#N)c1 ZINC000450959973 385599718 /nfs/dbraw/zinc/59/97/18/385599718.db2.gz ZIIKPCZMCXWVCH-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO CCC(CC)(CCO)[NH2+]CC(=O)NCC#N ZINC000309471409 385601238 /nfs/dbraw/zinc/60/12/38/385601238.db2.gz QUAZJIHJURWETR-UHFFFAOYSA-N 1 0 227.308 0.157 20 30 BCEDRO C[C@H](C[S@](C)=O)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598724361 385629537 /nfs/dbraw/zinc/62/95/37/385629537.db2.gz OHTIMTOACUJXPL-LSYCYVAJSA-N 1 0 246.376 0.644 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000595611944 385634454 /nfs/dbraw/zinc/63/44/54/385634454.db2.gz PUCSMHNCTUUDIV-NSHDSACASA-N 1 0 249.314 0.761 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@](C)(C#N)C1 ZINC000596601791 385653709 /nfs/dbraw/zinc/65/37/09/385653709.db2.gz VTNUEUCSUKZZCV-CMPLNLGQSA-N 1 0 238.335 0.882 20 30 BCEDRO C#CCNC(NCc1c(C)nn(C)c1C)=[NH+]CC ZINC000262778273 533142251 /nfs/dbraw/zinc/14/22/51/533142251.db2.gz IOIZTFOKEQTWHG-UHFFFAOYSA-N 1 0 247.346 0.725 20 30 BCEDRO C#CCNC(NC[C@@H](c1ccco1)N(C)C)=[NH+]C ZINC000262604482 533140801 /nfs/dbraw/zinc/14/08/01/533140801.db2.gz FQPGRAFDSLIAEM-NSHDSACASA-N 1 0 248.330 0.681 20 30 BCEDRO C#CCNC(NCCc1c(C)nn(C)c1C)=[NH+]C ZINC000262636168 533142685 /nfs/dbraw/zinc/14/26/85/533142685.db2.gz ZRLTVTFRVGTSIS-UHFFFAOYSA-N 1 0 247.346 0.378 20 30 BCEDRO C#CCNC(NCC1CCSCC1)=[NH+]C ZINC000262752215 533140988 /nfs/dbraw/zinc/14/09/88/533140988.db2.gz CFODDVWSNSKUCE-UHFFFAOYSA-N 1 0 225.361 0.928 20 30 BCEDRO C#CCNC(NCc1c[nH]nc1C)=[NH+]C ZINC000262629916 533141023 /nfs/dbraw/zinc/14/10/23/533141023.db2.gz VPAPHGAHZLNPSM-UHFFFAOYSA-N 1 0 205.265 0.016 20 30 BCEDRO C#CCNC(NC[C@@](C)(O)c1ccc(C)o1)=[NH+]C ZINC000262349622 533141420 /nfs/dbraw/zinc/14/14/20/533141420.db2.gz HEHBLFQUVBXUDY-CYBMUJFWSA-N 1 0 249.314 0.594 20 30 BCEDRO C#CCNC(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)=[NH+]C ZINC000262403636 533141689 /nfs/dbraw/zinc/14/16/89/533141689.db2.gz OCTGTSNLBWLFDO-QJPTWQEYSA-N 1 0 249.358 0.988 20 30 BCEDRO C#CCNC(NC[C@@H]1CCOC1)=[NH+]CC ZINC000262651544 533142926 /nfs/dbraw/zinc/14/29/26/533142926.db2.gz VEBVCOCQBPXXOE-JTQLQIEISA-N 1 0 209.293 0.211 20 30 BCEDRO CC[C@H]1[C@H](C)CC[N@@H+]1CC(=O)NCC#N ZINC000185662958 385731592 /nfs/dbraw/zinc/73/15/92/385731592.db2.gz AOCMMKYLQCHNEV-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(NC[C@@H]1CCC[C@H]1O)=[NH+]CC ZINC000262796644 533143329 /nfs/dbraw/zinc/14/33/29/533143329.db2.gz PTFKRZKHMPSLNK-WDEREUQCSA-N 1 0 223.320 0.336 20 30 BCEDRO N#Cc1ccc(=O)n(CC[C@H]2CC[NH2+]C2)c1 ZINC000396666246 385751688 /nfs/dbraw/zinc/75/16/88/385751688.db2.gz VZLJUGUPIIJTHX-SNVBAGLBSA-N 1 0 217.272 0.720 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000491742949 385763301 /nfs/dbraw/zinc/76/33/01/385763301.db2.gz XBLFZDXZTRFYQZ-RWMBFGLXSA-N 1 0 249.358 0.150 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC[NH2+]C(C)(C)C ZINC000309660908 385778407 /nfs/dbraw/zinc/77/84/07/385778407.db2.gz GCROMBAMVIVFNV-LBPRGKRZSA-N 1 0 228.336 0.818 20 30 BCEDRO CC[NH+](CC)CC(=O)N[C@@]1(C#N)CCOC1 ZINC000337610435 385727045 /nfs/dbraw/zinc/72/70/45/385727045.db2.gz VRRRBKMNTHRYCH-LLVKDONJSA-N 1 0 225.292 0.127 20 30 BCEDRO CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H]1CCC[C@H]1C#N ZINC000602597348 385809364 /nfs/dbraw/zinc/80/93/64/385809364.db2.gz BDUSNMZDZFZISW-DCAQKATOSA-N 1 0 237.303 0.125 20 30 BCEDRO CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[C@@H]1C#N ZINC000602597357 385810234 /nfs/dbraw/zinc/81/02/34/385810234.db2.gz BDUSNMZDZFZISW-MXWKQRLJSA-N 1 0 237.303 0.125 20 30 BCEDRO N#Cc1ccnc(N2CC[NH+](CC3CC3)CC2)n1 ZINC000231898084 385852145 /nfs/dbraw/zinc/85/21/45/385852145.db2.gz KLHWSDXETNVVKO-UHFFFAOYSA-N 1 0 243.314 0.880 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2ccc[nH]2)CC1 ZINC000360178263 533150993 /nfs/dbraw/zinc/15/09/93/533150993.db2.gz HUHPTWUGYAOVKM-UHFFFAOYSA-N 1 0 231.299 0.842 20 30 BCEDRO C=CCN1CC[C@H](N(C)CCC[NH3+])C1=O ZINC000647847162 385896327 /nfs/dbraw/zinc/89/63/27/385896327.db2.gz CWDAIYLZWJREOW-JTQLQIEISA-N 1 0 211.309 0.054 20 30 BCEDRO Cc1cc(C#N)nc(N[C@H]2CCC[NH2+]C2)n1 ZINC000231942717 385903794 /nfs/dbraw/zinc/90/37/94/385903794.db2.gz RMCPXANQMZRKIM-VIFPVBQESA-N 1 0 217.276 0.821 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(C#N)o1 ZINC000266214486 385914269 /nfs/dbraw/zinc/91/42/69/385914269.db2.gz PIPFWGZGMHKLMX-SECBINFHSA-N 1 0 231.259 0.921 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413795355 385883528 /nfs/dbraw/zinc/88/35/28/385883528.db2.gz BKBTUQQIIXDLDQ-WDEREUQCSA-N 1 0 239.319 0.109 20 30 BCEDRO COCC#CC[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000643253734 385990994 /nfs/dbraw/zinc/99/09/94/385990994.db2.gz MMDMFAUPQMPDJL-NWDGAFQWSA-N 1 0 211.305 0.587 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000643254193 385992743 /nfs/dbraw/zinc/99/27/43/385992743.db2.gz ACUXYRSJKBBWMD-PWSUYJOCSA-N 1 0 208.305 0.999 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[N@@H+]1CC[C@@H]1C1CC1 ZINC000414143285 385992877 /nfs/dbraw/zinc/99/28/77/385992877.db2.gz LJIXMEYMNSEGAF-QWHCGFSZSA-N 1 0 237.347 0.677 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000643387575 385948235 /nfs/dbraw/zinc/94/82/35/385948235.db2.gz UJQIQDFMFRWLFB-VHSXEESVSA-N 1 0 235.274 0.873 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1Cn1nc(C)nc1C ZINC000368688320 533154610 /nfs/dbraw/zinc/15/46/10/533154610.db2.gz ILMZZGLBRSAXLD-GFCCVEGCSA-N 1 0 218.304 0.993 20 30 BCEDRO CC(C)(C[NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000335053475 385951928 /nfs/dbraw/zinc/95/19/28/385951928.db2.gz WLQQNLPFVBYKFO-DTWKUNHWSA-N 1 0 209.293 0.780 20 30 BCEDRO C#CC[NH+]1CCC2(CC1)[C@@H](O)C[C@@H]2OCC ZINC000304395104 533152193 /nfs/dbraw/zinc/15/21/93/533152193.db2.gz VINVJXVWUIQVPM-RYUDHWBXSA-N 1 0 223.316 0.872 20 30 BCEDRO CC(=O)N1CC([NH2+]Cc2ccc(C#N)cc2)C1 ZINC000572423303 385961103 /nfs/dbraw/zinc/96/11/03/385961103.db2.gz YMXXFFSRYGEFDG-UHFFFAOYSA-N 1 0 229.283 0.879 20 30 BCEDRO C#CC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000372853886 533152528 /nfs/dbraw/zinc/15/25/28/533152528.db2.gz BTLYCBUXXBHZDV-WDEREUQCSA-N 1 0 206.289 0.610 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)COC(C)C ZINC000451602192 385967937 /nfs/dbraw/zinc/96/79/37/385967937.db2.gz WTPOEJRZEJMVEM-TUAOUCFPSA-N 1 0 229.320 0.705 20 30 BCEDRO C=CCOCCCC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000638936655 386067295 /nfs/dbraw/zinc/06/72/95/386067295.db2.gz RKWLHBDBUZYYDF-QWRGUYRKSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1cnn(C)c1 ZINC000336728966 386087475 /nfs/dbraw/zinc/08/74/75/386087475.db2.gz IPJMJBVHDXOXJT-SNVBAGLBSA-N 1 0 209.293 0.694 20 30 BCEDRO C[C@H](C#N)C(=O)NCC[N@@H+]1CCC[C@@H](C)C1 ZINC000345838878 386123071 /nfs/dbraw/zinc/12/30/71/386123071.db2.gz HUDMLYILOOWHPK-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO CO[C@]1(C)CCC[N@H+](CC(=O)NCC#N)CC1 ZINC000408345897 386153698 /nfs/dbraw/zinc/15/36/98/386153698.db2.gz FRTZAZAOOMKPOP-GFCCVEGCSA-N 1 0 239.319 0.517 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000164645071 386175309 /nfs/dbraw/zinc/17/53/09/386175309.db2.gz NRWWKUPDQUEPAU-DCAQKATOSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCOCCCC(=O)N(C)[C@@H](C)C[NH3+] ZINC000237413234 259682916 /nfs/dbraw/zinc/68/29/16/259682916.db2.gz MYDYVJBTPLPRKB-JTQLQIEISA-N 1 0 214.309 0.775 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@@H]2CCC[C@H](C#N)C2)n1 ZINC000287505131 386129257 /nfs/dbraw/zinc/12/92/57/386129257.db2.gz NXXANFWEHTWQNT-WDEREUQCSA-N 1 0 244.302 0.822 20 30 BCEDRO C[NH+](C)CCCN(CCC#N)C(=O)CC#N ZINC000274632894 386131265 /nfs/dbraw/zinc/13/12/65/386131265.db2.gz ODPRUSTYKQRTQH-UHFFFAOYSA-N 1 0 222.292 0.594 20 30 BCEDRO C[N@H+](CCNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC000267160358 386138581 /nfs/dbraw/zinc/13/85/81/386138581.db2.gz KEUQEKRUMBQPKW-UHFFFAOYSA-N 1 0 232.287 0.710 20 30 BCEDRO N#CCCC[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000408402708 386203375 /nfs/dbraw/zinc/20/33/75/386203375.db2.gz PYZJAOHTONSAHV-NSHDSACASA-N 1 0 207.277 0.502 20 30 BCEDRO CNC(=[NH2+])NC[C@H](C)N1CCc2ccccc21 ZINC000264116557 386208602 /nfs/dbraw/zinc/20/86/02/386208602.db2.gz SXBGAZNLJBXOAI-JTQLQIEISA-N 1 0 232.331 0.972 20 30 BCEDRO CC[N@H+](CCCO)CC(=O)NC1(C#N)CCC1 ZINC000347029471 386220196 /nfs/dbraw/zinc/22/01/96/386220196.db2.gz IJYPEJRAAKKTNF-UHFFFAOYSA-N 1 0 239.319 0.253 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CC)COC ZINC000133319090 386308512 /nfs/dbraw/zinc/30/85/12/386308512.db2.gz DQMWOSCDIOAPMH-VIFPVBQESA-N 1 0 200.282 0.303 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000416457501 386310825 /nfs/dbraw/zinc/31/08/25/386310825.db2.gz OHPSWOKHWSHUTE-IVZWLZJFSA-N 1 0 245.348 0.301 20 30 BCEDRO C=CCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000416442303 386319440 /nfs/dbraw/zinc/31/94/40/386319440.db2.gz XAMOWKYWKNVHTR-NXEZZACHSA-N 1 0 211.309 0.989 20 30 BCEDRO C=CCCC(=O)NC[C@@H]1CN2CCN1CC2 ZINC000090698375 386262256 /nfs/dbraw/zinc/26/22/56/386262256.db2.gz IVXJJHXKWQNFTJ-LLVKDONJSA-N 1 0 223.320 0.069 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000347235602 386275839 /nfs/dbraw/zinc/27/58/39/386275839.db2.gz SGXBWYSENCYFIG-LBPRGKRZSA-N 1 0 237.347 0.943 20 30 BCEDRO C=C(C)C[N@@H+](C)CC(=O)N(C)CC(=O)OCC ZINC000181255001 386341279 /nfs/dbraw/zinc/34/12/79/386341279.db2.gz IVCDGUBKLRSTCC-UHFFFAOYSA-N 1 0 242.319 0.516 20 30 BCEDRO C#CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000375633464 533169355 /nfs/dbraw/zinc/16/93/55/533169355.db2.gz XSBQPNUEMLVQEE-RYUDHWBXSA-N 1 0 235.331 0.888 20 30 BCEDRO C=C(C)C[N@@H+](C)CCC(=O)NC(=O)NC ZINC000181260143 386344797 /nfs/dbraw/zinc/34/47/97/386344797.db2.gz LCUWEMUAAJKUOG-UHFFFAOYSA-N 1 0 213.281 0.340 20 30 BCEDRO C=C(C)CN(C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000181303892 386347520 /nfs/dbraw/zinc/34/75/20/386347520.db2.gz CEJIMYRUZWDBEX-SNVBAGLBSA-N 1 0 241.335 0.087 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@H](O)CC[C@H]1C ZINC000399178494 386437035 /nfs/dbraw/zinc/43/70/35/386437035.db2.gz RINZLEZFMPPKRF-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCSC[C@H]1CO ZINC000347481538 386435807 /nfs/dbraw/zinc/43/58/07/386435807.db2.gz OZCRWTUSCHSZEX-GHMZBOCLSA-N 1 0 231.361 0.723 20 30 BCEDRO C=CCSCCNC(=O)N1CCC[NH2+]CC1 ZINC000417345473 386485413 /nfs/dbraw/zinc/48/54/13/386485413.db2.gz SAAZVCONOZMODM-UHFFFAOYSA-N 1 0 243.376 0.911 20 30 BCEDRO C=CCSCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417348898 386487199 /nfs/dbraw/zinc/48/71/99/386487199.db2.gz ZBGUFYDQFPFZHJ-BDAKNGLRSA-N 1 0 231.365 0.941 20 30 BCEDRO C#CC[N@H+](C)CCN1C(=O)NC2(CCCC2)C1=O ZINC000192238524 386487254 /nfs/dbraw/zinc/48/72/54/386487254.db2.gz UULBFQDFDVNMSG-UHFFFAOYSA-N 1 0 249.314 0.416 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)COc1ccccc1 ZINC000192226783 386488177 /nfs/dbraw/zinc/48/81/77/386488177.db2.gz LNEBLNBLDAWESM-GFCCVEGCSA-N 1 0 219.284 0.991 20 30 BCEDRO C[C@@H]([NH2+]Cc1cccc(C#N)c1)C(N)=O ZINC000035149839 386491029 /nfs/dbraw/zinc/49/10/29/386491029.db2.gz ZJDCILGNPXTYBP-MRVPVSSYSA-N 1 0 203.245 0.522 20 30 BCEDRO C=CCSCCNC(=O)NCCC[NH2+]C ZINC000417325362 386498090 /nfs/dbraw/zinc/49/80/90/386498090.db2.gz DMCONZFGPWVTLW-UHFFFAOYSA-N 1 0 231.365 0.814 20 30 BCEDRO C=C(C)CCN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000335448151 386516504 /nfs/dbraw/zinc/51/65/04/386516504.db2.gz VGCMLWATMFQQFW-UHFFFAOYSA-N 1 0 237.303 0.627 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)cc1 ZINC000572038239 386465368 /nfs/dbraw/zinc/46/53/68/386465368.db2.gz IPMTWRMWMONKJR-ZIAGYGMSSA-N 1 0 246.310 0.733 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000124203393 386581467 /nfs/dbraw/zinc/58/14/67/386581467.db2.gz NZNGXODAESDCNM-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCCCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000193322871 386545479 /nfs/dbraw/zinc/54/54/79/386545479.db2.gz DJUWEZDXQLHWEY-LLVKDONJSA-N 1 0 226.320 0.919 20 30 BCEDRO C=C(C)C[NH+]1CCC(NS(=O)(=O)NC)CC1 ZINC000408412141 386554474 /nfs/dbraw/zinc/55/44/74/386554474.db2.gz NWWPTQIXZJIQPM-UHFFFAOYSA-N 1 0 247.364 0.081 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451754595 386567211 /nfs/dbraw/zinc/56/72/11/386567211.db2.gz DNANFSLOLSANJR-GMTAPVOTSA-N 1 0 215.293 0.005 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000123808432 386570178 /nfs/dbraw/zinc/57/01/78/386570178.db2.gz UNXZHPMFVQXBEP-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO CO[C@@H]1CC[N@H+](CC(=O)NCC#N)[C@H](C)C1 ZINC000408424110 386573923 /nfs/dbraw/zinc/57/39/23/386573923.db2.gz CYQRZKRKGLOCOT-NXEZZACHSA-N 1 0 225.292 0.125 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@@H+](CCO)C(C)C ZINC000049825296 386655497 /nfs/dbraw/zinc/65/54/97/386655497.db2.gz VTZCVRGXIXJEEN-UHFFFAOYSA-N 1 0 240.347 0.890 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425552842 386629106 /nfs/dbraw/zinc/62/91/06/386629106.db2.gz SJLFNAJSIHJFFE-SNVBAGLBSA-N 1 0 222.292 0.797 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](O)(CC)C1 ZINC000425923168 386632916 /nfs/dbraw/zinc/63/29/16/386632916.db2.gz SLANZNVXBMDPNO-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000644947765 386633889 /nfs/dbraw/zinc/63/38/89/386633889.db2.gz AUGUCNAFPBJCGR-GFCCVEGCSA-N 1 0 234.303 0.565 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000644947803 386634909 /nfs/dbraw/zinc/63/49/09/386634909.db2.gz NLMHIQXSGKWZTM-RYUDHWBXSA-N 1 0 236.319 0.852 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@](O)(CC)C1 ZINC000425921569 386635094 /nfs/dbraw/zinc/63/50/94/386635094.db2.gz QGNVXGKMEOHXQO-LLVKDONJSA-N 1 0 212.293 0.135 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C)[C@H]1C ZINC000292758688 386644085 /nfs/dbraw/zinc/64/40/85/386644085.db2.gz IRIGFTJPTOIPGL-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)Cc1ccccc1O ZINC000292938976 386649579 /nfs/dbraw/zinc/64/95/79/386649579.db2.gz ZUWGEJUETVGBFD-UHFFFAOYSA-N 1 0 246.310 0.964 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425550820 386602996 /nfs/dbraw/zinc/60/29/96/386602996.db2.gz PKKNCEGQDDMRTQ-QWRGUYRKSA-N 1 0 236.319 0.921 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425550816 386603855 /nfs/dbraw/zinc/60/38/55/386603855.db2.gz PKKNCEGQDDMRTQ-GHMZBOCLSA-N 1 0 236.319 0.921 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCc3ncnn3C2)C1 ZINC000328710601 386611798 /nfs/dbraw/zinc/61/17/98/386611798.db2.gz BTPJQZNDNPHSNJ-GMTAPVOTSA-N 1 0 231.303 0.875 20 30 BCEDRO C=CCOCC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000428124022 386665698 /nfs/dbraw/zinc/66/56/98/386665698.db2.gz XUXJOCKZTTVZKW-GHMZBOCLSA-N 1 0 226.320 0.917 20 30 BCEDRO C[C@H](O)C[N@H+](CCCCC#N)[C@@H](C)CO ZINC000190813910 386667412 /nfs/dbraw/zinc/66/74/12/386667412.db2.gz OUEICUKSMSYEPH-QWRGUYRKSA-N 1 0 214.309 0.744 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@]2(CO)CCOC2)c1 ZINC000184194212 386671494 /nfs/dbraw/zinc/67/14/94/386671494.db2.gz GEVZXOIHAZJVRM-ZDUSSCGKSA-N 1 0 232.283 0.799 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCN(CCOC)C1 ZINC000320648409 386671947 /nfs/dbraw/zinc/67/19/47/386671947.db2.gz OKVOYOYRLBRZGV-STQMWFEESA-N 1 0 242.363 0.624 20 30 BCEDRO CC[C@H](O)C[NH+]1CCN(CCC#N)CC1 ZINC000330363593 386673517 /nfs/dbraw/zinc/67/35/17/386673517.db2.gz LDAYQVZMPNMGET-NSHDSACASA-N 1 0 211.309 0.289 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000330363664 386675648 /nfs/dbraw/zinc/67/56/48/386675648.db2.gz OKFZLQCBHQTCHI-SNVBAGLBSA-N 1 0 230.333 0.153 20 30 BCEDRO CN(CC1CC[NH+](C)CC1)C(=O)CC#N ZINC000063124675 134507956 /nfs/dbraw/zinc/50/79/56/134507956.db2.gz OTWIHPCURCZIIU-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO CC[N@H+](CCNC(=O)c1cnnn1C)C(C)C ZINC000330371082 386677566 /nfs/dbraw/zinc/67/75/66/386677566.db2.gz HNPVKSWEGZTTGN-UHFFFAOYSA-N 1 0 239.323 0.850 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[NH2+]C[C@H]1C ZINC000124635654 386657931 /nfs/dbraw/zinc/65/79/31/386657931.db2.gz ODYNZMFINWBVSP-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000330435684 386695121 /nfs/dbraw/zinc/69/51/21/386695121.db2.gz LZRXVEVQNMZOPB-SECBINFHSA-N 1 0 218.322 0.315 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000330437677 386696024 /nfs/dbraw/zinc/69/60/24/386696024.db2.gz PVQOQJDVPYUIQH-SECBINFHSA-N 1 0 225.292 0.544 20 30 BCEDRO C[C@@H](CNc1cnc(C#N)cn1)C[NH+](C)C ZINC000291921874 386699332 /nfs/dbraw/zinc/69/93/32/386699332.db2.gz ROVBZPYTKNAUCK-VIFPVBQESA-N 1 0 219.292 0.958 20 30 BCEDRO CN(C)C(=O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185884964 386733566 /nfs/dbraw/zinc/73/35/66/386733566.db2.gz CPVFBQFBWQRUHV-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000167147303 386739752 /nfs/dbraw/zinc/73/97/52/386739752.db2.gz UZPWDNIWVWZGGX-WDEREUQCSA-N 1 0 224.304 0.141 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[N@@H+](C)CCCOC ZINC000186112320 386728583 /nfs/dbraw/zinc/72/85/83/386728583.db2.gz IAOCKSDNBDCXOD-LLVKDONJSA-N 1 0 241.335 0.276 20 30 BCEDRO N#CCCCC[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000330512983 386744673 /nfs/dbraw/zinc/74/46/73/386744673.db2.gz GHQFXXMTEIGKJD-SECBINFHSA-N 1 0 210.281 0.837 20 30 BCEDRO C#CCOc1ccccc1CNC(NC)=[NH+]C ZINC000267407367 533191589 /nfs/dbraw/zinc/19/15/89/533191589.db2.gz HKHCQSWNPYPOTL-UHFFFAOYSA-N 1 0 231.299 0.993 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@H]1CCC[C@@H]1OC(F)F ZINC000348520555 386748733 /nfs/dbraw/zinc/74/87/33/386748733.db2.gz KNQFVXHBAYNUJP-YUMQZZPRSA-N 1 0 247.245 0.376 20 30 BCEDRO C[C@H](CC#N)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336761179 386756200 /nfs/dbraw/zinc/75/62/00/386756200.db2.gz NAPYPPFEZRYXPP-BDAKNGLRSA-N 1 0 209.293 0.935 20 30 BCEDRO C[C@@H](CC#N)[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000336761181 386756528 /nfs/dbraw/zinc/75/65/28/386756528.db2.gz NAPYPPFEZRYXPP-IUCAKERBSA-N 1 0 209.293 0.935 20 30 BCEDRO CC(C)(C#N)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417992741 386803591 /nfs/dbraw/zinc/80/35/91/386803591.db2.gz MYZNMJNOEWOLLV-SECBINFHSA-N 1 0 224.308 0.587 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000193050235 386826367 /nfs/dbraw/zinc/82/63/67/386826367.db2.gz NVDREEBJXMAKRP-GRYCIOLGSA-N 1 0 224.304 0.810 20 30 BCEDRO Cn1cc(C[NH2+]CCN2CCC2)cc1C#N ZINC000336673227 386826523 /nfs/dbraw/zinc/82/65/23/386826523.db2.gz HRBMEIXZNJQECP-UHFFFAOYSA-N 1 0 218.304 0.692 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000336674926 386851049 /nfs/dbraw/zinc/85/10/49/386851049.db2.gz KSSOSMLXVZUBGI-VQXHTEKXSA-N 1 0 221.304 0.794 20 30 BCEDRO CN(C)C(=O)NCC[N@H+](C)CC1(O)CCCC1 ZINC000330700739 386859281 /nfs/dbraw/zinc/85/92/81/386859281.db2.gz NKKGJWMYJXIOCN-UHFFFAOYSA-N 1 0 243.351 0.699 20 30 BCEDRO CC[N@H+](C)CCNC(=O)N[C@H](C)[C@H]1CCOC1 ZINC000330705665 386861354 /nfs/dbraw/zinc/86/13/54/386861354.db2.gz KXQLGPYEYPWUIN-MNOVXSKESA-N 1 0 243.351 0.867 20 30 BCEDRO CC[N@H+](C)CCNC(=O)NC[C@]1(C)CCOC1 ZINC000330768480 386882599 /nfs/dbraw/zinc/88/25/99/386882599.db2.gz YEFLXADPDQNFKW-LBPRGKRZSA-N 1 0 243.351 0.868 20 30 BCEDRO C[C@@H](NC(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H](C)[NH3+] ZINC000424460549 533202501 /nfs/dbraw/zinc/20/25/01/533202501.db2.gz BHEJRAWOXHTQCC-QCLAVDOMSA-N 1 0 224.308 0.714 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)NC[C@H](C)[NH+](C)C ZINC000645526735 386947223 /nfs/dbraw/zinc/94/72/23/386947223.db2.gz DIKMIMDBRJWPLY-QWRGUYRKSA-N 1 0 241.335 0.010 20 30 BCEDRO COc1cc(C)nc(CN2CC(O)(CC#N)C2)c1 ZINC000331894029 386922227 /nfs/dbraw/zinc/92/22/27/386922227.db2.gz DKAYOHJMRSBBPW-UHFFFAOYSA-N 1 0 247.298 0.859 20 30 BCEDRO COC(=O)COC[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000425357192 386967819 /nfs/dbraw/zinc/96/78/19/386967819.db2.gz RJGFIIVXWYRDKW-OUAUKWLOSA-N 1 0 240.303 0.846 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000334931859 387008692 /nfs/dbraw/zinc/00/86/92/387008692.db2.gz QZDWJTKSQNMCMY-UWVGGRQHSA-N 1 0 209.293 0.307 20 30 BCEDRO C=CC1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000334923092 386999670 /nfs/dbraw/zinc/99/96/70/386999670.db2.gz AWGIIPHYISTUGO-NSHDSACASA-N 1 0 223.320 0.956 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000609920631 387000761 /nfs/dbraw/zinc/00/07/61/387000761.db2.gz WNKPDKCZRRXALP-LLVKDONJSA-N 1 0 244.298 0.890 20 30 BCEDRO C=C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000334953862 387032338 /nfs/dbraw/zinc/03/23/38/387032338.db2.gz VXBLYTPXJVXUDQ-HTQZYQBOSA-N 1 0 233.262 0.857 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc(N(C)C)n1C ZINC000425383405 387033220 /nfs/dbraw/zinc/03/32/20/387033220.db2.gz PIDWNCRQPOQJMM-SECBINFHSA-N 1 0 224.308 0.123 20 30 BCEDRO CC#CCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418031549 387045817 /nfs/dbraw/zinc/04/58/17/387045817.db2.gz OGMOQQIBDHMSAR-JTQLQIEISA-N 1 0 209.293 0.451 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@](C)(O)C2)C1=O ZINC000334966271 387049321 /nfs/dbraw/zinc/04/93/21/387049321.db2.gz YXPHHDKBDBZAGA-DGCLKSJQSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCn1cc(C(=O)N2C[C@@H](C)[NH2+]C[C@@H]2C)nn1 ZINC000648108017 387052816 /nfs/dbraw/zinc/05/28/16/387052816.db2.gz MYNRSNHNZFINPH-ZJUUUORDSA-N 1 0 249.318 0.287 20 30 BCEDRO CC#CCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418035561 387060108 /nfs/dbraw/zinc/06/01/08/387060108.db2.gz VIDBVWQVLGFKHR-SNVBAGLBSA-N 1 0 209.293 0.436 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000334931846 387009289 /nfs/dbraw/zinc/00/92/89/387009289.db2.gz QZDWJTKSQNMCMY-NXEZZACHSA-N 1 0 209.293 0.307 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418023475 387021236 /nfs/dbraw/zinc/02/12/36/387021236.db2.gz BZBIORLJIXTJEK-QWRGUYRKSA-N 1 0 223.320 0.697 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000334995891 387087763 /nfs/dbraw/zinc/08/77/63/387087763.db2.gz OBPCUCLJTHZRLG-GXTWGEPZSA-N 1 0 249.358 0.459 20 30 BCEDRO C=C(CC)CNC(=O)N1CCC[NH2+]CC1 ZINC000334948193 387109864 /nfs/dbraw/zinc/10/98/64/387109864.db2.gz PEXAUDYBFJUHTD-UHFFFAOYSA-N 1 0 211.309 0.958 20 30 BCEDRO C#CCOCCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000186946668 387148079 /nfs/dbraw/zinc/14/80/79/387148079.db2.gz PQMCRTVEOSXOQM-QJPTWQEYSA-N 1 0 236.315 0.222 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCC[NH3+] ZINC000418130176 387159310 /nfs/dbraw/zinc/15/93/10/387159310.db2.gz FNVDGLGZRDDDFD-VHSXEESVSA-N 1 0 227.308 0.226 20 30 BCEDRO N#CC1(CNC(=O)N[C@@H]2CCCC[C@H]2[NH3+])CC1 ZINC000571789664 387171262 /nfs/dbraw/zinc/17/12/62/387171262.db2.gz IXZSXTFTXFCQGI-NXEZZACHSA-N 1 0 236.319 0.859 20 30 BCEDRO C=CC[C@H](CC)NC(=O)N1CC[NH2+]CC1 ZINC000418155394 387176377 /nfs/dbraw/zinc/17/63/77/387176377.db2.gz ZBIWTLTUUQTNJO-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C[C@@H](C[NH2+]CCCC#N)S(C)(=O)=O ZINC000572114831 387237666 /nfs/dbraw/zinc/23/76/66/387237666.db2.gz JXKANTRGGDRWJW-QMMMGPOBSA-N 1 0 204.295 0.313 20 30 BCEDRO CC(C)OC[C@@H](O)C[NH2+]C[C@@H](C)C#N ZINC000572114536 387238524 /nfs/dbraw/zinc/23/85/24/387238524.db2.gz ZVSMDGZYWVYZRJ-UWVGGRQHSA-N 1 0 200.282 0.522 20 30 BCEDRO C[NH+](C)CCOCCNC(=O)C(C)(C)C#N ZINC000230183160 387242739 /nfs/dbraw/zinc/24/27/39/387242739.db2.gz OFIAHSTYGLLIHE-UHFFFAOYSA-N 1 0 227.308 0.231 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000161625323 387243427 /nfs/dbraw/zinc/24/34/27/387243427.db2.gz ZOIAUBZFRNJFBY-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO CNS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000193330476 387198806 /nfs/dbraw/zinc/19/88/06/387198806.db2.gz LHNKJHDSOVWDPI-NXEZZACHSA-N 1 0 245.348 0.208 20 30 BCEDRO N#CCCC[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000514707631 387275838 /nfs/dbraw/zinc/27/58/38/387275838.db2.gz CHNCBQAGZMXTDR-UHFFFAOYSA-N 1 0 235.291 0.924 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ncccn1 ZINC000392751194 387281583 /nfs/dbraw/zinc/28/15/83/387281583.db2.gz DEIMYSGOXHSLGT-UHFFFAOYSA-N 1 0 204.277 0.844 20 30 BCEDRO COCC[N@@H+]1CC[C@H](Nc2ccncc2C#N)C1 ZINC000548152612 387300799 /nfs/dbraw/zinc/30/07/99/387300799.db2.gz DIWZZIYAMIOPKX-LBPRGKRZSA-N 1 0 246.314 0.508 20 30 BCEDRO C=CCOc1cccnc1C(=O)NC[C@@H](C)C[NH3+] ZINC000423459196 387307256 /nfs/dbraw/zinc/30/72/56/387307256.db2.gz QXLLAMSYWSCFNF-JTQLQIEISA-N 1 0 249.314 0.971 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000353985042 387307631 /nfs/dbraw/zinc/30/76/31/387307631.db2.gz XWZGVZGBHHDGPI-ZWNOBZJWSA-N 1 0 240.347 0.912 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000610489955 387360784 /nfs/dbraw/zinc/36/07/84/387360784.db2.gz XFULFOJCOUWIOO-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO Cn1cc(C[NH2+][C@@H]2C=C[C@H](CO)C2)cc1C#N ZINC000191349019 387383367 /nfs/dbraw/zinc/38/33/67/387383367.db2.gz LUQQABOOURCEIW-CMPLNLGQSA-N 1 0 231.299 0.923 20 30 BCEDRO COCCO[C@@H]1COCC[C@H]1[NH2+]CCC#N ZINC000515166850 387341853 /nfs/dbraw/zinc/34/18/53/387341853.db2.gz LEBDEALDMPNVSI-GHMZBOCLSA-N 1 0 228.292 0.310 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000270675629 387433820 /nfs/dbraw/zinc/43/38/20/387433820.db2.gz XXOCODCYNKGMDO-NSHDSACASA-N 1 0 206.289 0.753 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)CCOC ZINC000270804631 387436061 /nfs/dbraw/zinc/43/60/61/387436061.db2.gz VDIMJTRFCROQDN-JTQLQIEISA-N 1 0 212.293 0.093 20 30 BCEDRO C[C@@H](O)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191478831 387456882 /nfs/dbraw/zinc/45/68/82/387456882.db2.gz VDLQYPHZPUDBLB-SECBINFHSA-N 1 0 207.277 0.709 20 30 BCEDRO C#CCC[NH+]1CCN(c2cccnn2)CC1 ZINC000266177551 387402814 /nfs/dbraw/zinc/40/28/14/387402814.db2.gz ADFKWGRGYNYCDP-UHFFFAOYSA-N 1 0 216.288 0.622 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266162211 387402986 /nfs/dbraw/zinc/40/29/86/387402986.db2.gz ITZGHYBNPGTQTM-JTQLQIEISA-N 1 0 246.314 0.711 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000269849526 387423351 /nfs/dbraw/zinc/42/33/51/387423351.db2.gz GMZOSBDDVZBWBE-GFCCVEGCSA-N 1 0 208.305 0.858 20 30 BCEDRO C[C@@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424098332 387511079 /nfs/dbraw/zinc/51/10/79/387511079.db2.gz CPBKVRHEISWHRO-ZJUUUORDSA-N 1 0 209.293 0.876 20 30 BCEDRO C#CCN(CC#C)CCc1ccnn1C ZINC000276349313 387521143 /nfs/dbraw/zinc/52/11/43/387521143.db2.gz WBFUZSQSWPRABW-UHFFFAOYSA-N 1 0 201.273 0.531 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@@H]([NH3+])CC ZINC000417968131 387528202 /nfs/dbraw/zinc/52/82/02/387528202.db2.gz WUYGDEYQCLTERS-JTQLQIEISA-N 1 0 229.324 0.616 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417969873 387530739 /nfs/dbraw/zinc/53/07/39/387530739.db2.gz ZVSLEHSBNVJCMG-LLVKDONJSA-N 1 0 241.335 0.630 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425841549 387531527 /nfs/dbraw/zinc/53/15/27/387531527.db2.gz ILJTUFHHWJHMIG-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO C=C[C@H](C)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000648084691 387533209 /nfs/dbraw/zinc/53/32/09/387533209.db2.gz MPGQGRSOPGQBGP-NSHDSACASA-N 1 0 248.330 0.653 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000424030221 387468838 /nfs/dbraw/zinc/46/88/38/387468838.db2.gz ZTSVEDSSUGUKGW-WDEREUQCSA-N 1 0 226.320 0.632 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000516190870 387471521 /nfs/dbraw/zinc/47/15/21/387471521.db2.gz VOQNIWJGNJECIF-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@H]2CCC[NH2+]C2)nn1 ZINC000424056876 387471571 /nfs/dbraw/zinc/47/15/71/387471571.db2.gz IPHZPDUFVQZFMJ-JTQLQIEISA-N 1 0 249.318 0.336 20 30 BCEDRO C=CCC1(C(=O)N2CC[C@H]([NH3+])C2)CCOCC1 ZINC000424057248 387472194 /nfs/dbraw/zinc/47/21/94/387472194.db2.gz JFRFZFQHAAASLN-NSHDSACASA-N 1 0 238.331 0.919 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000424057708 387472288 /nfs/dbraw/zinc/47/22/88/387472288.db2.gz JURIMEHWFPYMEK-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000424074523 387479119 /nfs/dbraw/zinc/47/91/19/387479119.db2.gz HLVFKTRFGPXDCW-UTUOFQBUSA-N 1 0 238.331 0.836 20 30 BCEDRO CC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C(=O)OC ZINC000424077288 387481109 /nfs/dbraw/zinc/48/11/09/387481109.db2.gz BFSDUZRKWIQKAW-RKDXNWHRSA-N 1 0 241.291 0.075 20 30 BCEDRO CC(C)OCCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424085017 387483893 /nfs/dbraw/zinc/48/38/93/387483893.db2.gz YVMIDTOIYVTTGS-LLVKDONJSA-N 1 0 241.335 0.939 20 30 BCEDRO C=C(C)CC[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000274795141 387490040 /nfs/dbraw/zinc/49/00/40/387490040.db2.gz PHOHSCLFWWCAEN-GFCCVEGCSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CCSC ZINC000392799285 387584467 /nfs/dbraw/zinc/58/44/67/387584467.db2.gz UUOIJUBRXXVKAM-UHFFFAOYSA-N 1 0 228.361 0.811 20 30 BCEDRO CC#CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000277798932 387547408 /nfs/dbraw/zinc/54/74/08/387547408.db2.gz VLZQFFBUDREZAH-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(C)CC[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000279083280 387559081 /nfs/dbraw/zinc/55/90/81/387559081.db2.gz OHQCDBAFFMNDII-GFCCVEGCSA-N 1 0 237.303 0.627 20 30 BCEDRO C=CCn1cc(CN[C@H](C)COC)nn1 ZINC000424119488 387570057 /nfs/dbraw/zinc/57/00/57/387570057.db2.gz CUBHEYOJDTYOTH-SECBINFHSA-N 1 0 210.281 0.589 20 30 BCEDRO C=C(C)C(C)(C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000424791984 387671272 /nfs/dbraw/zinc/67/12/72/387671272.db2.gz YQONHQFWFNHHDP-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@]1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCOC1 ZINC000424140529 387692578 /nfs/dbraw/zinc/69/25/78/387692578.db2.gz OITWAMYEALVSDT-CMPLNLGQSA-N 1 0 239.319 0.550 20 30 BCEDRO C[C@H]1CSCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424143376 387748897 /nfs/dbraw/zinc/74/88/97/387748897.db2.gz QYPZYGJQBAXCKG-UWVGGRQHSA-N 1 0 241.360 0.971 20 30 BCEDRO C[C@H](CNC(=O)[C@]1(C#N)C[C@@H]1C)C[NH+](C)C ZINC000452010018 387698987 /nfs/dbraw/zinc/69/89/87/387698987.db2.gz VMWDRDQFXZDQBK-SCVCMEIPSA-N 1 0 223.320 0.850 20 30 BCEDRO C[C@H](CNC(=O)[C@]1(C#N)C[C@H]1C)C[NH+](C)C ZINC000452010013 387699023 /nfs/dbraw/zinc/69/90/23/387699023.db2.gz VMWDRDQFXZDQBK-FOGDFJRCSA-N 1 0 223.320 0.850 20 30 BCEDRO C[C@]12C[N@H+](CC(=O)NCC#N)C[C@H]1[C@@H]1CC[C@H]2C1 ZINC000452054488 387717675 /nfs/dbraw/zinc/71/76/75/387717675.db2.gz RCMCIHAYAIBHOR-OWTLIXCDSA-N 1 0 247.342 0.994 20 30 BCEDRO C=CCCC[N@H+]1CCOC[C@H]1CC(N)=O ZINC000452087585 387730350 /nfs/dbraw/zinc/73/03/50/387730350.db2.gz QURHZIIQEXGTGD-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO C=CCCC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000452087584 387732230 /nfs/dbraw/zinc/73/22/30/387732230.db2.gz QURHZIIQEXGTGD-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)CCC[NH3+] ZINC000521464025 387768448 /nfs/dbraw/zinc/76/84/48/387768448.db2.gz IMFCBGYZXQUOEJ-ZJUUUORDSA-N 1 0 227.308 0.320 20 30 BCEDRO C[C@H]1CN(C)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424145705 387769229 /nfs/dbraw/zinc/76/92/29/387769229.db2.gz OGYBPJVCIAKEGC-WDEREUQCSA-N 1 0 238.335 0.170 20 30 BCEDRO C#CCN(C)CCC[NH2+]C1CCOCC1 ZINC000328044452 387779205 /nfs/dbraw/zinc/77/92/05/387779205.db2.gz XZVFSGVIQFTLDV-UHFFFAOYSA-N 1 0 210.321 0.710 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)NCc1ccco1 ZINC000424151294 387792750 /nfs/dbraw/zinc/79/27/50/387792750.db2.gz HKKIFAPWYIMIRH-JTQLQIEISA-N 1 0 221.260 0.917 20 30 BCEDRO CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1CCSC1 ZINC000424151972 387795014 /nfs/dbraw/zinc/79/50/14/387795014.db2.gz IWNVXKLMTSRZCA-VHSXEESVSA-N 1 0 241.360 0.971 20 30 BCEDRO C[C@@H]1C[N@H+](CCCNC(=O)CC#N)CCCO1 ZINC000432548017 387800389 /nfs/dbraw/zinc/80/03/89/387800389.db2.gz WBFHKFDAVYKPCX-LLVKDONJSA-N 1 0 239.319 0.517 20 30 BCEDRO C=C[C@H](C)[NH2+][C@H]1CCN[C@@H]1C(=O)OCC ZINC000422990276 387801000 /nfs/dbraw/zinc/80/10/00/387801000.db2.gz NCDOIXFVCLGXIE-GUBZILKMSA-N 1 0 212.293 0.444 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCCC[NH2+]C1CC1 ZINC000418303968 387807975 /nfs/dbraw/zinc/80/79/75/387807975.db2.gz URTUAXADDFDHOV-NSHDSACASA-N 1 0 241.335 0.365 20 30 BCEDRO COC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000424158123 387833086 /nfs/dbraw/zinc/83/30/86/387833086.db2.gz SGNMUIBVIYXDRE-MNOVXSKESA-N 1 0 239.319 0.549 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)C1 ZINC000442768037 387835339 /nfs/dbraw/zinc/83/53/39/387835339.db2.gz NPFMCEBXDPJDJT-GXSJLCMTSA-N 1 0 244.298 0.962 20 30 BCEDRO C[C@@H]1COCCN1CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442786588 387838474 /nfs/dbraw/zinc/83/84/74/387838474.db2.gz UDVJLZXDSRZJOM-JHJVBQTASA-N 1 0 237.347 0.989 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000442789803 387841314 /nfs/dbraw/zinc/84/13/14/387841314.db2.gz HMJHAFZSDGWJEH-SFYZADRCSA-N 1 0 249.236 0.947 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000442838231 387848764 /nfs/dbraw/zinc/84/87/64/387848764.db2.gz SCCWELAXILPZCV-VHSXEESVSA-N 1 0 247.302 0.421 20 30 BCEDRO C=CCN(C)C(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424179493 387890245 /nfs/dbraw/zinc/89/02/45/387890245.db2.gz TXSZTSQTYCFCIX-JTQLQIEISA-N 1 0 249.318 0.461 20 30 BCEDRO C=C(C)COCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000168673326 387897854 /nfs/dbraw/zinc/89/78/54/387897854.db2.gz NYOJMKNOLHGGIP-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCCC[NH2+][C@@H]1CCN[C@H]1C(=O)OCC ZINC000423090847 387883075 /nfs/dbraw/zinc/88/30/75/387883075.db2.gz YMKURHHGCDLIHN-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCC[NH2+][C@H]1CCN[C@H]1C(=O)OCC ZINC000423090850 387883566 /nfs/dbraw/zinc/88/35/66/387883566.db2.gz YMKURHHGCDLIHN-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO CCc1ncc(NC(=O)[C@@H]([NH3+])CCCC#N)cn1 ZINC000424186243 387902898 /nfs/dbraw/zinc/90/28/98/387902898.db2.gz GLABJPDZGZCFRJ-JTQLQIEISA-N 1 0 247.302 0.999 20 30 BCEDRO COCCN1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000424209800 387930300 /nfs/dbraw/zinc/93/03/00/387930300.db2.gz ZRMMRZBSLHBAOL-YNEHKIRRSA-N 1 0 237.347 0.989 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)c1c[nH+]ccc1N ZINC000424212922 387930529 /nfs/dbraw/zinc/93/05/29/387930529.db2.gz RDOUOMNRTVRPPR-CABZTGNLSA-N 1 0 247.298 0.815 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]([NH3+])C(C)C)nn1 ZINC000424212656 387931206 /nfs/dbraw/zinc/93/12/06/387931206.db2.gz PYQIKXBQWUCFCE-JTQLQIEISA-N 1 0 237.307 0.064 20 30 BCEDRO COc1cc(C[NH2+][C@@H]2COC[C@H]2O)ccc1C#N ZINC000295476548 387933342 /nfs/dbraw/zinc/93/33/42/387933342.db2.gz GJDCEZSJDPKSKS-VXGBXAGGSA-N 1 0 248.282 0.416 20 30 BCEDRO C[C@@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424217023 387933371 /nfs/dbraw/zinc/93/33/71/387933371.db2.gz KBILINLPXUTLBO-WCABBAIRSA-N 1 0 221.304 0.935 20 30 BCEDRO CSCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424216056 387933637 /nfs/dbraw/zinc/93/36/37/387933637.db2.gz HQURKBHGZCMVMH-IVZWLZJFSA-N 1 0 241.360 0.875 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CC[C@H](C[NH3+])O2)C1 ZINC000424215570 387933643 /nfs/dbraw/zinc/93/36/43/387933643.db2.gz GLFNEDYLZCRGAX-ZDCRXTMVSA-N 1 0 237.303 0.301 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]C2)C1 ZINC000424218129 387934535 /nfs/dbraw/zinc/93/45/35/387934535.db2.gz QURSXBDBYYHHKY-GARJFASQSA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)c2c[nH+]ccc2N)C1 ZINC000424219139 387936463 /nfs/dbraw/zinc/93/64/63/387936463.db2.gz ZOHYPWNRQVVRHU-DTWKUNHWSA-N 1 0 230.271 0.916 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000424292371 387954285 /nfs/dbraw/zinc/95/42/85/387954285.db2.gz GSBRLROMZCLVLO-DCAQKATOSA-N 1 0 247.360 0.600 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C[NH+](CC)CC ZINC000452920744 387939772 /nfs/dbraw/zinc/93/97/72/387939772.db2.gz HFVBUPTVAKEPDK-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000245588089 387963079 /nfs/dbraw/zinc/96/30/79/387963079.db2.gz AQMWXGJNJZZBCQ-MNOVXSKESA-N 1 0 221.304 0.498 20 30 BCEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC000045136903 387966702 /nfs/dbraw/zinc/96/67/02/387966702.db2.gz CWWVZYOWXCXJLS-WDEREUQCSA-N 1 0 223.320 0.993 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)C[NH3+] ZINC000424472331 388013680 /nfs/dbraw/zinc/01/36/80/388013680.db2.gz FAHMIVJQLLARFQ-UTLUCORTSA-N 1 0 227.308 0.224 20 30 BCEDRO C=CCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000108537056 388032696 /nfs/dbraw/zinc/03/26/96/388032696.db2.gz RLEOUDGKKCPNHV-SNVBAGLBSA-N 1 0 211.309 0.813 20 30 BCEDRO N#CCC1(C[NH2+][C@H]2CCCS(=O)(=O)C2)CC1 ZINC000083854398 388063640 /nfs/dbraw/zinc/06/36/40/388063640.db2.gz NPQLMNWOCGJFBM-JTQLQIEISA-N 1 0 242.344 0.847 20 30 BCEDRO C=CC[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000447379708 388066592 /nfs/dbraw/zinc/06/65/92/388066592.db2.gz CHNWSBNSAVNSPZ-RYUDHWBXSA-N 1 0 229.320 0.518 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000447384530 388067845 /nfs/dbraw/zinc/06/78/45/388067845.db2.gz MWXUOLYOYPITGL-QWHCGFSZSA-N 1 0 243.347 0.908 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000646191779 388162227 /nfs/dbraw/zinc/16/22/27/388162227.db2.gz RNQDSYVESJKWMX-ZJUUUORDSA-N 1 0 229.324 0.614 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000448979040 388125033 /nfs/dbraw/zinc/12/50/33/388125033.db2.gz FQONLKCNQGHZDL-CMPLNLGQSA-N 1 0 223.320 0.993 20 30 BCEDRO Cc1nsc(NC(=O)NC[C@H](C)[NH3+])c1C#N ZINC000591306319 388133928 /nfs/dbraw/zinc/13/39/28/388133928.db2.gz KWLNDFFMUZGALP-YFKPBYRVSA-N 1 0 239.304 0.792 20 30 BCEDRO C=C(C)COCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000162336371 388153026 /nfs/dbraw/zinc/15/30/26/388153026.db2.gz MBHGIVORRPIGFQ-NSHDSACASA-N 1 0 247.360 0.746 20 30 BCEDRO C#CCN(CC)C(=O)NCCOCC[NH+](C)C ZINC000490715554 388249463 /nfs/dbraw/zinc/24/94/63/388249463.db2.gz XFZXDJBRBFIXDF-UHFFFAOYSA-N 1 0 241.335 0.229 20 30 BCEDRO C#CCN1CCN(C(=O)C2CC2)CC1(C)C ZINC000490923513 388260560 /nfs/dbraw/zinc/26/05/60/388260560.db2.gz KZOTZQOIMZIEIY-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@@H](C)N(C)S(=O)(=O)CC[NH+]1CCCC1 ZINC000490740027 388250216 /nfs/dbraw/zinc/25/02/16/388250216.db2.gz IDENEJXLGFXIQM-LLVKDONJSA-N 1 0 244.360 0.366 20 30 BCEDRO C#CCN(CC#CC)CC[C@H]1CCOC1=O ZINC000490779943 388254297 /nfs/dbraw/zinc/25/42/97/388254297.db2.gz CQQWGHMLDWOQCP-LBPRGKRZSA-N 1 0 219.284 0.898 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCN1CCOC[C@H]1C ZINC000490799381 388254720 /nfs/dbraw/zinc/25/47/20/388254720.db2.gz GZUGYPKTZDOIBG-VXGBXAGGSA-N 1 0 210.321 0.661 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCN1CCOC[C@H]1C ZINC000490799379 388254785 /nfs/dbraw/zinc/25/47/85/388254785.db2.gz GZUGYPKTZDOIBG-NWDGAFQWSA-N 1 0 210.321 0.661 20 30 BCEDRO Cc1csc(CNC2=[NH+]C[C@@H](C)N2)n1 ZINC000261528641 135154569 /nfs/dbraw/zinc/15/45/69/135154569.db2.gz NAHAWUUPPYWZLM-ZCFIWIBFSA-N 1 0 210.306 0.889 20 30 BCEDRO C=CCCCS(=O)(=O)NCC[NH+]1CCCC1 ZINC000489068054 388203886 /nfs/dbraw/zinc/20/38/86/388203886.db2.gz HRPOBXOXBKFBRP-UHFFFAOYSA-N 1 0 246.376 0.968 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000490556953 388240991 /nfs/dbraw/zinc/24/09/91/388240991.db2.gz USDQACCVNVJLOI-QWRGUYRKSA-N 1 0 221.304 0.546 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000490594565 388241647 /nfs/dbraw/zinc/24/16/47/388241647.db2.gz SQOWBNVUJMAMEB-VIFPVBQESA-N 1 0 207.277 0.156 20 30 BCEDRO C#CC[N@H+](CC#CC)CCCNC(C)=O ZINC000490921842 388260281 /nfs/dbraw/zinc/26/02/81/388260281.db2.gz ADCHOEFGLGCYND-UHFFFAOYSA-N 1 0 206.289 0.471 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CC(OC)C2)CC1 ZINC000490652606 388245716 /nfs/dbraw/zinc/24/57/16/388245716.db2.gz ZKRITMPJBWFQIK-UHFFFAOYSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CC[N@H+](CC#CC)CCC(=O)N(C)OC ZINC000490671449 388247042 /nfs/dbraw/zinc/24/70/42/388247042.db2.gz TYUSOIGTZHHPON-UHFFFAOYSA-N 1 0 222.288 0.355 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000490689764 388247432 /nfs/dbraw/zinc/24/74/32/388247432.db2.gz PJKDWWJXBMVRAT-ZDUSSCGKSA-N 1 0 249.358 0.995 20 30 BCEDRO C#CCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000491264553 388281100 /nfs/dbraw/zinc/28/11/00/388281100.db2.gz HCFIGCKZNMYRQZ-UHFFFAOYSA-N 1 0 207.277 0.229 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000491266520 388281236 /nfs/dbraw/zinc/28/12/36/388281236.db2.gz PIGUMUDCCMFZIN-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CC[N@@H+](C[C@](C)(O)C(=O)OC)C1CCCC1 ZINC000491305432 388281820 /nfs/dbraw/zinc/28/18/20/388281820.db2.gz JARKIOXWPUUJNR-ZDUSSCGKSA-N 1 0 239.315 0.788 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C[N@@H+](CC)C1CC1 ZINC000491285496 388282455 /nfs/dbraw/zinc/28/24/55/388282455.db2.gz CZGPQVSPLKDDPI-SNVBAGLBSA-N 1 0 208.305 0.951 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H]([NH3+])C1CC1 ZINC000194737622 388283245 /nfs/dbraw/zinc/28/32/45/388283245.db2.gz KYBIPGYJQPOWRE-SECBINFHSA-N 1 0 218.322 0.219 20 30 BCEDRO C#CC[NH2+]C1(C(N)=O)C2CC3CC(C2)CC1C3 ZINC000491296811 388283293 /nfs/dbraw/zinc/28/32/93/388283293.db2.gz NHFXWYGTZAFMJS-UHFFFAOYSA-N 1 0 232.327 0.889 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)CO ZINC000491299477 388283804 /nfs/dbraw/zinc/28/38/04/388283804.db2.gz ZMVPYRGWXAXEDX-SNVBAGLBSA-N 1 0 226.320 0.075 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000451610490 388284076 /nfs/dbraw/zinc/28/40/76/388284076.db2.gz GEHLLTUCRBHZQG-UPJWGTAASA-N 1 0 240.347 0.375 20 30 BCEDRO C=CCCCCC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451629890 388285239 /nfs/dbraw/zinc/28/52/39/388285239.db2.gz DQFMXVJPNAUJSV-PHIMTYICSA-N 1 0 236.315 0.937 20 30 BCEDRO C#C[C@@H](NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1)C(C)C ZINC000491326686 388285222 /nfs/dbraw/zinc/28/52/22/388285222.db2.gz PHQCUXIQLBMEHS-YNEHKIRRSA-N 1 0 249.358 0.990 20 30 BCEDRO C#C[C@@H](CCC)NC(=[NH2+])N[C@@H](C)COC ZINC000491380977 388290451 /nfs/dbraw/zinc/29/04/51/388290451.db2.gz BZUVQDIRPPQLSH-UWVGGRQHSA-N 1 0 211.309 0.937 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H](C)CC[NH3+] ZINC000491392716 388291544 /nfs/dbraw/zinc/29/15/44/388291544.db2.gz DSMFYIAEUFEFAW-NSHDSACASA-N 1 0 221.304 0.392 20 30 BCEDRO C#C[C@H]1COCCN1CCc1ccncc1 ZINC000491396674 388292024 /nfs/dbraw/zinc/29/20/24/388292024.db2.gz ZHWMBPNPVNKJPK-ZDUSSCGKSA-N 1 0 216.284 0.958 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)C1=CC[N@H+](C)CC1 ZINC000491419418 388293144 /nfs/dbraw/zinc/29/31/44/388293144.db2.gz URIVREIWSDGSHN-LBPRGKRZSA-N 1 0 249.358 0.366 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1ccc(C)nc1 ZINC000491416637 388293414 /nfs/dbraw/zinc/29/34/14/388293414.db2.gz KQFWRVUVTSAEIX-UHFFFAOYSA-N 1 0 245.326 0.662 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCSC ZINC000491441273 388294930 /nfs/dbraw/zinc/29/49/30/388294930.db2.gz VCTYAOISNKDCRW-UHFFFAOYSA-N 1 0 214.334 0.469 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCO[C@H]1C=C ZINC000491453452 388295709 /nfs/dbraw/zinc/29/57/09/388295709.db2.gz RHPYDIQIHIQGCJ-RYUDHWBXSA-N 1 0 236.315 0.307 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(CCO)CC1 ZINC000491466011 388296739 /nfs/dbraw/zinc/29/67/39/388296739.db2.gz YTAPKNTVCQFKMD-UHFFFAOYSA-N 1 0 238.331 0.220 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCCOC(=O)NC(N)=O ZINC000491473731 388297388 /nfs/dbraw/zinc/29/73/88/388297388.db2.gz HDRFSCFRFXKDPV-QMMMGPOBSA-N 1 0 227.264 0.135 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC(C)(C)CO ZINC000491485279 388298088 /nfs/dbraw/zinc/29/80/88/388298088.db2.gz NVEOWMZZHFUSGT-UHFFFAOYSA-N 1 0 226.320 0.124 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491496420 388299083 /nfs/dbraw/zinc/29/90/83/388299083.db2.gz QHMJYEYTKCNTBA-WDEREUQCSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000491496418 388299218 /nfs/dbraw/zinc/29/92/18/388299218.db2.gz QHMJYEYTKCNTBA-QWRGUYRKSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C#C)C(C)C ZINC000491496786 388299402 /nfs/dbraw/zinc/29/94/02/388299402.db2.gz SYBGQNHJWMTNLV-NSHDSACASA-N 1 0 206.289 0.373 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000491507832 388299820 /nfs/dbraw/zinc/29/98/20/388299820.db2.gz XLGVVVZBGAXNHK-ZJUUUORDSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C[NH3+])C1CC1)C(C)C ZINC000491523385 388300878 /nfs/dbraw/zinc/30/08/78/388300878.db2.gz DOWHQZJZLXZHSQ-WDEREUQCSA-N 1 0 223.320 0.681 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@@H](C[NH3+])C1CC1)C(C)C ZINC000491523383 388300906 /nfs/dbraw/zinc/30/09/06/388300906.db2.gz DOWHQZJZLXZHSQ-MNOVXSKESA-N 1 0 223.320 0.681 20 30 BCEDRO C#CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000491525657 388301266 /nfs/dbraw/zinc/30/12/66/388301266.db2.gz UFVNUWJKGQOBON-UHFFFAOYSA-N 1 0 209.293 0.309 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000491543548 388302644 /nfs/dbraw/zinc/30/26/44/388302644.db2.gz HBZMMZVFEGVCPZ-GFCCVEGCSA-N 1 0 233.315 0.392 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CC[C@H](C)O1 ZINC000491554541 388303276 /nfs/dbraw/zinc/30/32/76/388303276.db2.gz KCEUEYXMBIZPKI-WDEREUQCSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](CCC)OC ZINC000491553782 388303343 /nfs/dbraw/zinc/30/33/43/388303343.db2.gz COGQPDMFMUBSME-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000491565807 388303996 /nfs/dbraw/zinc/30/39/96/388303996.db2.gz CKBXNVNKSHQVAL-ZDUSSCGKSA-N 1 0 247.342 0.654 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H]2OCCC[C@H]12 ZINC000491569031 388304313 /nfs/dbraw/zinc/30/43/13/388304313.db2.gz UFIJSEXUCXQHJT-IJLUTSLNSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CCNC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000491615893 388304744 /nfs/dbraw/zinc/30/47/44/388304744.db2.gz HNQXXEWCUNHWBH-NSHDSACASA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@@H](C)N(C)CN1CC(=O)N(C(C)C)C1=O ZINC000491625058 388305882 /nfs/dbraw/zinc/30/58/82/388305882.db2.gz HOHCJINDHMKUSM-SNVBAGLBSA-N 1 0 237.303 0.570 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](CC)CCO ZINC000491626422 388305891 /nfs/dbraw/zinc/30/58/91/388305891.db2.gz SMJNLTFDJCCNRS-NSHDSACASA-N 1 0 226.320 0.124 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000491628017 388306166 /nfs/dbraw/zinc/30/61/66/388306166.db2.gz KJLDOVPIQNMCOP-CHWSQXEVSA-N 1 0 249.310 0.318 20 30 BCEDRO C#CCN(CC)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000491628346 388306209 /nfs/dbraw/zinc/30/62/09/388306209.db2.gz VGGSYDAKHNLSTC-UHFFFAOYSA-N 1 0 248.330 0.540 20 30 BCEDRO C#CCNC(=O)N[C@](C)(C[NH3+])CC(C)C ZINC000491626699 388306242 /nfs/dbraw/zinc/30/62/42/388306242.db2.gz MPNROTVXYJDTMG-NSHDSACASA-N 1 0 211.309 0.682 20 30 BCEDRO C#CCN(C)C(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000491631104 388306539 /nfs/dbraw/zinc/30/65/39/388306539.db2.gz RGNOJLNDSKFSOI-QWRGUYRKSA-N 1 0 208.305 0.951 20 30 BCEDRO C#C[C@H](NC(=O)N1CCO[C@H](C[NH3+])C1)C(C)C ZINC000491631199 388306765 /nfs/dbraw/zinc/30/67/65/388306765.db2.gz PWNPZMNBMVGVPC-MNOVXSKESA-N 1 0 239.319 0.013 20 30 BCEDRO C#C[C@@H](NC(=O)N1CCC[C@@H]([NH3+])C1)C(C)C ZINC000491633412 388306868 /nfs/dbraw/zinc/30/68/68/388306868.db2.gz QAIDIXUXJXIHEQ-GHMZBOCLSA-N 1 0 223.320 0.777 20 30 BCEDRO C#CCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000491642990 388307683 /nfs/dbraw/zinc/30/76/83/388307683.db2.gz COYLEZMOCLMHEC-ZJUUUORDSA-N 1 0 209.293 0.307 20 30 BCEDRO C#CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000491642989 388307684 /nfs/dbraw/zinc/30/76/84/388307684.db2.gz COYLEZMOCLMHEC-VHSXEESVSA-N 1 0 209.293 0.307 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1(CC#N)CC1 ZINC000491647136 388307838 /nfs/dbraw/zinc/30/78/38/388307838.db2.gz WRBSLFPLBQNNJC-UHFFFAOYSA-N 1 0 219.288 0.409 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000491654515 388308373 /nfs/dbraw/zinc/30/83/73/388308373.db2.gz AOFWOZFSEPRMFO-VXGBXAGGSA-N 1 0 241.331 0.496 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CCF)CC1 ZINC000491658672 388308739 /nfs/dbraw/zinc/30/87/39/388308739.db2.gz LRQCCSZAIHVYGZ-UHFFFAOYSA-N 1 0 212.268 0.417 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@@H]([NH3+])CC ZINC000491658564 388308859 /nfs/dbraw/zinc/30/88/59/388308859.db2.gz KKJYXCZMSWFWMG-VHSXEESVSA-N 1 0 211.309 0.825 20 30 BCEDRO C#CCNC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000491657807 388308868 /nfs/dbraw/zinc/30/88/68/388308868.db2.gz AUCRUTRRAYACQP-JTQLQIEISA-N 1 0 211.309 0.648 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H]([NH3+])CC)C(C)C ZINC000491659460 388309004 /nfs/dbraw/zinc/30/90/04/388309004.db2.gz BTHSMWHTNBKQKN-ZJUUUORDSA-N 1 0 211.309 0.681 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCSC[C@@H]1C ZINC000491663801 388309221 /nfs/dbraw/zinc/30/92/21/388309221.db2.gz RZNMCFGZCXUADT-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO C#CC[N@@H+](CCC(=O)N(C)OC)C1CC1 ZINC000491665499 388309389 /nfs/dbraw/zinc/30/93/89/388309389.db2.gz SCZCIWLMQRNXTQ-UHFFFAOYSA-N 1 0 210.277 0.494 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CC1CCCC1 ZINC000491673942 388309899 /nfs/dbraw/zinc/30/98/99/388309899.db2.gz QOSADFMJCWKDJU-RYUDHWBXSA-N 1 0 211.305 0.511 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000491672299 388309911 /nfs/dbraw/zinc/30/99/11/388309911.db2.gz TWSQKYRLGRFPMG-RYUDHWBXSA-N 1 0 236.315 0.187 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)Cc1cnccc1C ZINC000491674307 388310116 /nfs/dbraw/zinc/31/01/16/388310116.db2.gz WVDCPGJCESQRJD-UHFFFAOYSA-N 1 0 245.326 0.961 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C=C ZINC000491698384 388312265 /nfs/dbraw/zinc/31/22/65/388312265.db2.gz SLMYFGZAJZFHNH-AXFHLTTASA-N 1 0 222.288 0.057 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@@H+](CC)C(C)C ZINC000491699980 388312382 /nfs/dbraw/zinc/31/23/82/388312382.db2.gz CZFYYZHXBKJUAF-UHFFFAOYSA-N 1 0 225.336 0.991 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H](C[NH3+])CCCC ZINC000491701169 388312626 /nfs/dbraw/zinc/31/26/26/388312626.db2.gz FRKGTJSWQCBECZ-SNVBAGLBSA-N 1 0 211.309 0.779 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000491705935 388313208 /nfs/dbraw/zinc/31/32/08/388313208.db2.gz MNMPAOXIKUSJMU-SNVBAGLBSA-N 1 0 211.309 0.634 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000491707369 388313585 /nfs/dbraw/zinc/31/35/85/388313585.db2.gz NHPJDMWFTSXLEH-STQMWFEESA-N 1 0 247.342 0.653 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@H](OC)C1CC1 ZINC000491712886 388314106 /nfs/dbraw/zinc/31/41/06/388314106.db2.gz IVRVVQBKNNBNGW-GWCFXTLKSA-N 1 0 238.331 0.529 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1ccc(F)cc1C ZINC000491715592 388314381 /nfs/dbraw/zinc/31/43/81/388314381.db2.gz KMXFLGUSNCGSJK-AAEUAGOBSA-N 1 0 237.274 0.751 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H](C)C1 ZINC000491719178 388314553 /nfs/dbraw/zinc/31/45/53/388314553.db2.gz XYPWOOSNBNORHT-LBPRGKRZSA-N 1 0 237.347 0.993 20 30 BCEDRO C#CC[NH+](C)CCCNC(=O)C[N@@H+](C)C(C)C ZINC000491725915 388315109 /nfs/dbraw/zinc/31/51/09/388315109.db2.gz FLWSHWCNXXDYQU-UHFFFAOYSA-N 1 0 239.363 0.398 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H](C)CC[NH3+])C(C)C ZINC000491728855 388315465 /nfs/dbraw/zinc/31/54/65/388315465.db2.gz DMDLHWZAPPUXHP-UWVGGRQHSA-N 1 0 211.309 0.681 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)N(C)OC)C(C)C ZINC000491732420 388315895 /nfs/dbraw/zinc/31/58/95/388315895.db2.gz JPBOEEZSMXFUBG-JTQLQIEISA-N 1 0 212.293 0.644 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000491749643 388317607 /nfs/dbraw/zinc/31/76/07/388317607.db2.gz GVNMSBKUIJUESH-YHWZYXNKSA-N 1 0 249.358 0.341 20 30 BCEDRO C#C[C@H](C)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000491758180 388318334 /nfs/dbraw/zinc/31/83/34/388318334.db2.gz HMHLYQMROBCQRP-CMPLNLGQSA-N 1 0 210.321 0.395 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000491760142 388318755 /nfs/dbraw/zinc/31/87/55/388318755.db2.gz PLCSRPLAZHHDMU-RWMBFGLXSA-N 1 0 249.358 0.293 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+]([C@@H]2C[C@H]2C)C[C@H](C)C1 ZINC000491770986 388318924 /nfs/dbraw/zinc/31/89/24/388318924.db2.gz NOPJQTVAWYPAJG-YNEHKIRRSA-N 1 0 249.358 0.991 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+]([C@@H]2C[C@@H]2C)C[C@H](C)C1 ZINC000491770984 388319128 /nfs/dbraw/zinc/31/91/28/388319128.db2.gz NOPJQTVAWYPAJG-RWMBFGLXSA-N 1 0 249.358 0.991 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H](C)C[NH3+] ZINC000491774160 388319542 /nfs/dbraw/zinc/31/95/42/388319542.db2.gz VUYKZZTXQZVUGV-LLVKDONJSA-N 1 0 221.304 0.249 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H]1c1ccco1 ZINC000491776673 388319916 /nfs/dbraw/zinc/31/99/16/388319916.db2.gz ZQTYCNNPBPOVFT-GHMZBOCLSA-N 1 0 232.283 0.865 20 30 BCEDRO C#CC[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000491779860 388320430 /nfs/dbraw/zinc/32/04/30/388320430.db2.gz JQUYSPBGONLMLL-SECBINFHSA-N 1 0 213.302 0.458 20 30 BCEDRO C#CC[N@H+](CC#CC)CC[C@H]1CCNC1=O ZINC000491785517 388320980 /nfs/dbraw/zinc/32/09/80/388320980.db2.gz RMJXEVHXCBVAPO-GFCCVEGCSA-N 1 0 218.300 0.471 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)[C@@H](O)C(F)F ZINC000491804421 388321852 /nfs/dbraw/zinc/32/18/52/388321852.db2.gz LVIXMYPCBPLXRM-WCBMZHEXSA-N 1 0 248.273 0.120 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000491805105 388321869 /nfs/dbraw/zinc/32/18/69/388321869.db2.gz ODAWDCVXKMVKQT-NWDGAFQWSA-N 1 0 239.702 0.957 20 30 BCEDRO C#CCN(C)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000491813794 388322882 /nfs/dbraw/zinc/32/28/82/388322882.db2.gz LAIXNLYSGSCCFN-UHFFFAOYSA-N 1 0 235.331 0.888 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@@H](C)C[NH2+]C ZINC000491814751 388323205 /nfs/dbraw/zinc/32/32/05/388323205.db2.gz NVODVVYNMOWABA-WDEREUQCSA-N 1 0 225.336 0.943 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])ccc1=O ZINC000491816273 388323221 /nfs/dbraw/zinc/32/32/21/388323221.db2.gz MYGVHBVQBAXVSX-JTQLQIEISA-N 1 0 249.270 0.710 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000491819447 388323715 /nfs/dbraw/zinc/32/37/15/388323715.db2.gz TYPMSAMQENPOJK-LLVKDONJSA-N 1 0 248.330 0.538 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CSC1(C)C ZINC000491820762 388323770 /nfs/dbraw/zinc/32/37/70/388323770.db2.gz SPUNVPOVGCJPLG-SECBINFHSA-N 1 0 226.345 0.610 20 30 BCEDRO CC[C@@](C)(C#N)NC(=O)/C=C\C[NH+](C)C ZINC000491884733 388326039 /nfs/dbraw/zinc/32/60/39/388326039.db2.gz NCXRXPKVNJYODH-ZADCQDASSA-N 1 0 209.293 0.913 20 30 BCEDRO C#CC[N@H+](CC#CC)CCC1OCCO1 ZINC000490986808 388263550 /nfs/dbraw/zinc/26/35/50/388263550.db2.gz VOBKCVXYCHTSPH-UHFFFAOYSA-N 1 0 207.273 0.708 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)C(C)(C)O)C1=O ZINC000451367575 388263866 /nfs/dbraw/zinc/26/38/66/388263866.db2.gz ISVZIKAKQSDOQC-MNOVXSKESA-N 1 0 240.347 0.865 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(OC)C1 ZINC000491041562 388267184 /nfs/dbraw/zinc/26/71/84/388267184.db2.gz ZPIQURGHCRFHKY-YPMHNXCESA-N 1 0 238.331 0.625 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646337642 388268963 /nfs/dbraw/zinc/26/89/63/388268963.db2.gz JOVYYLUZAWTYMX-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CCCOC2)CC1 ZINC000491126564 388271864 /nfs/dbraw/zinc/27/18/64/388271864.db2.gz PVRWSEBLMCVVBF-UHFFFAOYSA-N 1 0 236.315 0.538 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1c(C)nn(C)c1C ZINC000491126400 388272184 /nfs/dbraw/zinc/27/21/84/388272184.db2.gz NWCPQFRDEACVET-UHFFFAOYSA-N 1 0 248.330 0.266 20 30 BCEDRO C#CC[N@H+](CC)CCC(=O)N1CCN(C)CC1 ZINC000491147946 388273324 /nfs/dbraw/zinc/27/33/24/388273324.db2.gz TZRMHVTYDNDPBL-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CCOC)CC1 ZINC000491153681 388273365 /nfs/dbraw/zinc/27/33/65/388273365.db2.gz CCEXMNFMCWSYFC-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](CCNC(C)=O)C1 ZINC000491191487 388275924 /nfs/dbraw/zinc/27/59/24/388275924.db2.gz DRJLCCPVLFONFJ-GFCCVEGCSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)C1CCOCC1 ZINC000491202226 388277039 /nfs/dbraw/zinc/27/70/39/388277039.db2.gz MUUPTGZIRGDYDX-LLVKDONJSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@@H](C)[C@H]2C)CC1 ZINC000491210005 388277760 /nfs/dbraw/zinc/27/77/60/388277760.db2.gz OWILSHKRGOCKLH-CHWSQXEVSA-N 1 0 249.358 0.104 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)[C@H]2C)CC1 ZINC000491210007 388278113 /nfs/dbraw/zinc/27/81/13/388278113.db2.gz OWILSHKRGOCKLH-QWHCGFSZSA-N 1 0 249.358 0.104 20 30 BCEDRO C=CCn1cc(CNC(=O)CC2([NH3+])CCC2)nn1 ZINC000646389293 388349140 /nfs/dbraw/zinc/34/91/40/388349140.db2.gz SDWGXIUTNXNEAJ-UHFFFAOYSA-N 1 0 249.318 0.352 20 30 BCEDRO C[C@@H]([NH3+])C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594453403 388355731 /nfs/dbraw/zinc/35/57/31/388355731.db2.gz VWVUDMBMRGFLBI-MRVPVSSYSA-N 1 0 215.256 0.748 20 30 BCEDRO N#Cc1ccc(Cn2cc(CC[NH3+])nn2)c(F)c1 ZINC000594649408 388361010 /nfs/dbraw/zinc/36/10/10/388361010.db2.gz JLVQPHFRVNSCFQ-UHFFFAOYSA-N 1 0 245.261 0.838 20 30 BCEDRO N#Cc1ccc(CC[N@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000595338980 388381202 /nfs/dbraw/zinc/38/12/02/388381202.db2.gz VDJRSHOEQWKTFL-OKILXGFUSA-N 1 0 246.310 0.528 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@]1(CCOC)CCOC1 ZINC000572945559 388395185 /nfs/dbraw/zinc/39/51/85/388395185.db2.gz GMVCEHSOYUBUSE-LBPRGKRZSA-N 1 0 242.319 0.074 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000646618339 388395385 /nfs/dbraw/zinc/39/53/85/388395385.db2.gz LPOLPWGIHFTKCX-NSHDSACASA-N 1 0 224.304 0.276 20 30 BCEDRO C=CCN(C(=O)c1cn(CC[NH3+])nn1)C1CC1 ZINC000165283625 388396480 /nfs/dbraw/zinc/39/64/80/388396480.db2.gz KHSIPCGGFHFBPY-UHFFFAOYSA-N 1 0 235.291 0.027 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000237575154 388397344 /nfs/dbraw/zinc/39/73/44/388397344.db2.gz KSTINBBYSIGZRK-QWRGUYRKSA-N 1 0 246.376 0.952 20 30 BCEDRO Cc1nnc(N2CC([NH+](C)C)C2)c(C#N)c1C ZINC000271738561 388400077 /nfs/dbraw/zinc/40/00/77/388400077.db2.gz PQUJXPOHTCVJCL-UHFFFAOYSA-N 1 0 231.303 0.715 20 30 BCEDRO C[NH+](C)C1CN(c2nccc(C#N)c2[N+](=O)[O-])C1 ZINC000271756685 388401705 /nfs/dbraw/zinc/40/17/05/388401705.db2.gz XGRUVUYRRHEKKD-UHFFFAOYSA-N 1 0 247.258 0.612 20 30 BCEDRO C=CCNC(=O)CNC(=O)C1([NH3+])CCCCC1 ZINC000393805117 388442774 /nfs/dbraw/zinc/44/27/74/388442774.db2.gz PRJRRECSTFENFH-UHFFFAOYSA-N 1 0 239.319 0.066 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)Cc1cnn(C)c1 ZINC000649224608 388462692 /nfs/dbraw/zinc/46/26/92/388462692.db2.gz UTHVDSRWOPPIPP-LLVKDONJSA-N 1 0 209.293 0.789 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000648849450 388469582 /nfs/dbraw/zinc/46/95/82/388469582.db2.gz PTWSRIPQFKETSZ-SNVBAGLBSA-N 1 0 226.320 0.836 20 30 BCEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1cc(C#N)cnn1 ZINC000596181725 388407937 /nfs/dbraw/zinc/40/79/37/388407937.db2.gz DYBJNNPDOIPZEJ-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)CC(C)(C)CO ZINC000295208328 135189004 /nfs/dbraw/zinc/18/90/04/135189004.db2.gz LUGIZEPMCLZMLI-UHFFFAOYSA-N 1 0 214.309 0.239 20 30 BCEDRO N#C[C@@H]1CCN(C[C@H](O)CC2(O)CCC2)C1 ZINC000528561318 388547441 /nfs/dbraw/zinc/54/74/41/388547441.db2.gz QHDACGANFBTCPS-WDEREUQCSA-N 1 0 224.304 0.498 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CS[C@H](C)C1 ZINC000491709479 256789639 /nfs/dbraw/zinc/78/96/39/256789639.db2.gz QKYDKMVMMRXWBE-ZJUUUORDSA-N 1 0 226.345 0.610 20 30 BCEDRO CN(C)C(=O)C[NH2+]Cc1cc(C#N)cs1 ZINC000086500139 256795247 /nfs/dbraw/zinc/79/52/47/256795247.db2.gz WVVUPWLXJCKLMN-UHFFFAOYSA-N 1 0 223.301 0.798 20 30 BCEDRO C=CCNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000261555936 135196083 /nfs/dbraw/zinc/19/60/83/135196083.db2.gz VKFPVHHSMOSRHN-LLVKDONJSA-N 1 0 212.293 0.305 20 30 BCEDRO C#CCN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000178480490 388500297 /nfs/dbraw/zinc/50/02/97/388500297.db2.gz MXQSEFHOJKJHRR-GFCCVEGCSA-N 1 0 208.305 0.274 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000614249922 388510450 /nfs/dbraw/zinc/51/04/50/388510450.db2.gz IDBMMWJHZSAJON-NXEZZACHSA-N 1 0 214.309 0.380 20 30 BCEDRO CC[N@H+](CC(=O)N[C@]1(C#N)CCOC1)C1CC1 ZINC000548140194 388516851 /nfs/dbraw/zinc/51/68/51/388516851.db2.gz RBGFIECKTNORST-LBPRGKRZSA-N 1 0 237.303 0.270 20 30 BCEDRO C[C@H]1CN(C)CC[N@@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528381235 388517624 /nfs/dbraw/zinc/51/76/24/388517624.db2.gz PNGFSCUJZSHMGG-RYUDHWBXSA-N 1 0 237.347 0.677 20 30 BCEDRO C#CCNC(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000079264340 388529141 /nfs/dbraw/zinc/52/91/41/388529141.db2.gz ZHUMNUJQJOFEBZ-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO CC(C)COC[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000517025940 388533768 /nfs/dbraw/zinc/53/37/68/388533768.db2.gz UYTNWZGMUVUCGU-LLVKDONJSA-N 1 0 226.320 0.913 20 30 BCEDRO N#Cc1cnn2c1NC[C@H](C[NH2+]C1CCC1)C2 ZINC000553425786 388589727 /nfs/dbraw/zinc/58/97/27/388589727.db2.gz ZLFRZEROWKKBRJ-VIFPVBQESA-N 1 0 231.303 0.939 20 30 BCEDRO CC1(C)C(=O)NCCN1CCCCC#N ZINC000106358920 388595402 /nfs/dbraw/zinc/59/54/02/388595402.db2.gz NNDHWFODVPEHJQ-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N(C)CC[N@H+](C)C1CC1 ZINC000186789805 388603464 /nfs/dbraw/zinc/60/34/64/388603464.db2.gz ZADLEIWYCOIWOO-LLVKDONJSA-N 1 0 237.347 0.150 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000646815665 388552122 /nfs/dbraw/zinc/55/21/22/388552122.db2.gz RTXLSQSIFKGMNJ-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)c1cnccc1C#N ZINC000598155912 388560755 /nfs/dbraw/zinc/56/07/55/388560755.db2.gz BPVTXNUGNVCZGC-UHFFFAOYSA-N 1 0 244.298 0.587 20 30 BCEDRO CCC[C@@H]1C[C@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000517556482 256826755 /nfs/dbraw/zinc/82/67/55/256826755.db2.gz KXFWWTBKSYRVKX-FRRDWIJNSA-N 1 0 239.363 0.971 20 30 BCEDRO CC1CCN(C(=[NH2+])NCC(F)(F)CO)CC1 ZINC000184815301 388582826 /nfs/dbraw/zinc/58/28/26/388582826.db2.gz ULABNGMMEFFPBW-UHFFFAOYSA-N 1 0 235.278 0.661 20 30 BCEDRO Cc1nc(C(=O)N2CC[C@H]([NH3+])C2)ccc1C#N ZINC000521263227 256838472 /nfs/dbraw/zinc/83/84/72/256838472.db2.gz GOUVULSWUSZDIN-JTQLQIEISA-N 1 0 230.271 0.435 20 30 BCEDRO C[NH2+]CCNCc1ccc(C#N)c(OC)c1 ZINC000414837524 388665912 /nfs/dbraw/zinc/66/59/12/388665912.db2.gz XUCNXTSVKCSLAO-UHFFFAOYSA-N 1 0 219.288 0.876 20 30 BCEDRO C[N@H+](Cc1ccc(C#N)cn1)C1(CO)CC1 ZINC000520425507 388667922 /nfs/dbraw/zinc/66/79/22/388667922.db2.gz YFCKZLOCVBDJSD-UHFFFAOYSA-N 1 0 217.272 0.910 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)NCc1cccc(C#N)c1 ZINC000417000032 388673051 /nfs/dbraw/zinc/67/30/51/388673051.db2.gz UHFYJOBBVQACEP-JTQLQIEISA-N 1 0 246.314 0.952 20 30 BCEDRO N#Cc1cccc(CNC(=O)NCCC[NH3+])c1 ZINC000416997695 388673144 /nfs/dbraw/zinc/67/31/44/388673144.db2.gz RHRXHAADJNSDTF-UHFFFAOYSA-N 1 0 232.287 0.706 20 30 BCEDRO N#Cc1cccc(CNC(=O)N2CC[NH2+]CC2)c1 ZINC000417000098 388673392 /nfs/dbraw/zinc/67/33/92/388673392.db2.gz ULRFISBHBCQYEY-UHFFFAOYSA-N 1 0 244.298 0.673 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)NCc1cccc(C#N)c1 ZINC000417000038 388673604 /nfs/dbraw/zinc/67/36/04/388673604.db2.gz UHFYJOBBVQACEP-SNVBAGLBSA-N 1 0 246.314 0.952 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000538012774 388675571 /nfs/dbraw/zinc/67/55/71/388675571.db2.gz JOCPICRQTHLLDC-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)NCCc1cccc(C#N)c1 ZINC000418152610 388675608 /nfs/dbraw/zinc/67/56/08/388675608.db2.gz VGBVTDTZXCIRIK-JTQLQIEISA-N 1 0 246.314 0.747 20 30 BCEDRO C=C(C)C[N@@H+](CC)[C@@H](C)C(=O)NCC(=O)OC ZINC000125950104 388683313 /nfs/dbraw/zinc/68/33/13/388683313.db2.gz QXWFYDNCXVRJBQ-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO Cn1cc(C[NH2+]CCn2cncn2)cc1C#N ZINC000359746308 388631067 /nfs/dbraw/zinc/63/10/67/388631067.db2.gz MCQYRSNMIXSDDR-UHFFFAOYSA-N 1 0 230.275 0.278 20 30 BCEDRO C#CC[NH2+][C@]1(CO)C[C@H](OCC)C1(C)C ZINC000190013239 388645905 /nfs/dbraw/zinc/64/59/05/388645905.db2.gz PBEMQSHGTURXPF-JQWIXIFHSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1(O)CCCC1 ZINC000124231356 388661070 /nfs/dbraw/zinc/66/10/70/388661070.db2.gz OYGHIEPVAVYPAV-LLVKDONJSA-N 1 0 238.331 0.361 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)C(C)(C)C#N ZINC000194695621 388739866 /nfs/dbraw/zinc/73/98/66/388739866.db2.gz ZQOQBBIINTYBEV-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000227111136 388741048 /nfs/dbraw/zinc/74/10/48/388741048.db2.gz QYZAUSNEAHUIFH-HBNTYKKESA-N 1 0 224.304 0.281 20 30 BCEDRO N#Cc1ccnc(C(=O)NCC[NH+]2CCCC2)c1 ZINC000448601792 388742835 /nfs/dbraw/zinc/74/28/35/388742835.db2.gz XJOTZWCYMBGRMG-UHFFFAOYSA-N 1 0 244.298 0.779 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C#N)n1C ZINC000448977232 388746250 /nfs/dbraw/zinc/74/62/50/388746250.db2.gz QXSHRGNJUIZTGI-SNVBAGLBSA-N 1 0 248.330 0.967 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627073044 388690073 /nfs/dbraw/zinc/69/00/73/388690073.db2.gz FUXSPTLGZIZVEJ-GHMZBOCLSA-N 1 0 223.320 0.956 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CCO[C@@](C)(CC)C1 ZINC000248922166 388699233 /nfs/dbraw/zinc/69/92/33/388699233.db2.gz LBCWVMDJEPBAJP-YPMHNXCESA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCS[C@H](C)CC1 ZINC000249077874 388707672 /nfs/dbraw/zinc/70/76/72/388707672.db2.gz RGMHJKXQVRYUBF-GHMZBOCLSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCSC[C@H](C)C1 ZINC000249129977 388710602 /nfs/dbraw/zinc/71/06/02/388710602.db2.gz XUNSXRJVVYGZTM-GHMZBOCLSA-N 1 0 240.372 0.809 20 30 BCEDRO C[NH+]1CCC(NC(=O)c2cc(C#N)ccn2)CC1 ZINC000258858894 388718176 /nfs/dbraw/zinc/71/81/76/388718176.db2.gz FMOWHXIRHGKXML-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C[C@H]1CC[N@H+](CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000533098550 388723553 /nfs/dbraw/zinc/72/35/53/388723553.db2.gz VCGPMOXCDKYZGC-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)COC)C1CCCC1 ZINC000127485086 388723550 /nfs/dbraw/zinc/72/35/50/388723550.db2.gz FNRSNAMSHSDMGF-GFCCVEGCSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CC[N@@H+](C)Cc1ccc(C(N)=O)cc1 ZINC000194162415 388725602 /nfs/dbraw/zinc/72/56/02/388725602.db2.gz QTZNYVVGDQVCAZ-UHFFFAOYSA-N 1 0 202.257 0.851 20 30 BCEDRO N#Cc1ncn(CCN2C[C@H]3CC[C@@H](C2)O3)n1 ZINC000378493172 388728489 /nfs/dbraw/zinc/72/84/89/388728489.db2.gz JDDLCUYJHJPXIQ-AOOOYVTPSA-N 1 0 233.275 0.013 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000249639780 388731371 /nfs/dbraw/zinc/73/13/71/388731371.db2.gz XQPNHYMPBHHJFC-DCAQKATOSA-N 1 0 226.320 0.428 20 30 BCEDRO C#C[C@@H](CC)[NH2+]Cc1cnc(N(C)C)n1C ZINC000229875761 388802144 /nfs/dbraw/zinc/80/21/44/388802144.db2.gz XIFWTESXTCHQCL-JTQLQIEISA-N 1 0 220.320 0.988 20 30 BCEDRO C#C[C@@H](CC)[NH2+]C1CCN(C(C)=O)CC1 ZINC000229881645 388802677 /nfs/dbraw/zinc/80/26/77/388802677.db2.gz KXZIUOBYONQMQB-NSHDSACASA-N 1 0 208.305 0.999 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](CC)CCOC ZINC000270816954 135364572 /nfs/dbraw/zinc/36/45/72/135364572.db2.gz XRJIGRFXELEQLM-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO Cc1oc(C#N)cc1C(=O)NCC[NH+](C)C ZINC000281930247 388809975 /nfs/dbraw/zinc/80/99/75/388809975.db2.gz VYKJRUUPGRZQBH-UHFFFAOYSA-N 1 0 221.260 0.751 20 30 BCEDRO C[C@@H](CNC(=O)c1cc(C#N)cn1C)C[NH+](C)C ZINC000330626232 388759975 /nfs/dbraw/zinc/75/99/75/388759975.db2.gz VCMCLCCGXIJMTL-JTQLQIEISA-N 1 0 248.330 0.824 20 30 BCEDRO C[C@H](Cn1cnc(C#N)c1C#N)[NH+](C)C ZINC000331079616 388763213 /nfs/dbraw/zinc/76/32/13/388763213.db2.gz KXKUSADQMNCVCX-MRVPVSSYSA-N 1 0 203.249 0.577 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N2CCOC[C@H]2C#N)C1 ZINC000553492980 388778755 /nfs/dbraw/zinc/77/87/55/388778755.db2.gz MSDPLPGMGKZOFG-WDEREUQCSA-N 1 0 237.303 0.079 20 30 BCEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1cc(C#N)ncn1 ZINC000555804961 388823617 /nfs/dbraw/zinc/82/36/17/388823617.db2.gz YQOSGJJUGAILNR-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CCOCC ZINC000564855123 388893805 /nfs/dbraw/zinc/89/38/05/388893805.db2.gz AEOXCWQZUJTRSU-XQQFMLRXSA-N 1 0 243.347 0.955 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CCOC(C)C ZINC000564978914 388903788 /nfs/dbraw/zinc/90/37/88/388903788.db2.gz PWLOFDJVVXWUAW-RYUDHWBXSA-N 1 0 231.336 0.689 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000565050002 388911220 /nfs/dbraw/zinc/91/12/20/388911220.db2.gz VNNMTGFULIFUPP-KOLCDFICSA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000565300802 388934780 /nfs/dbraw/zinc/93/47/80/388934780.db2.gz WPIJCDJOAVWAAU-VIFPVBQESA-N 1 0 205.323 0.975 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)COC ZINC000566005628 388982559 /nfs/dbraw/zinc/98/25/59/388982559.db2.gz XDHMQYLSIYAUOO-IJLUTSLNSA-N 1 0 229.320 0.565 20 30 BCEDRO N#Cc1ccc(N2CCC[C@@H]([NH3+])C2)nc1 ZINC000041030222 132348893 /nfs/dbraw/zinc/34/88/93/132348893.db2.gz UROQVLYGDQAYKP-SNVBAGLBSA-N 1 0 202.261 0.881 20 30 BCEDRO C#C[C@@H](CC)NC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262496218 533235773 /nfs/dbraw/zinc/23/57/73/533235773.db2.gz WMICHIMIBTYYLH-UWVGGRQHSA-N 1 0 209.293 0.434 20 30 BCEDRO C#C[C@H](NC(=[NH2+])N1CCO[C@H](C)C1)C(C)C ZINC000262190702 533278180 /nfs/dbraw/zinc/27/81/80/533278180.db2.gz RDCFTNSALRLCNY-MNOVXSKESA-N 1 0 223.320 0.680 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000370443655 533291179 /nfs/dbraw/zinc/29/11/79/533291179.db2.gz DTMSEIWMLIVZKG-SRVKXCTJSA-N 1 0 235.331 0.744 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000372184124 533293371 /nfs/dbraw/zinc/29/33/71/533293371.db2.gz GMGGTOQGVFTZOI-TUAOUCFPSA-N 1 0 235.331 0.934 20 30 BCEDRO C[NH+]=C(NCCNC(C)=O)NCc1ccco1 ZINC000264044558 533477367 /nfs/dbraw/zinc/47/73/67/533477367.db2.gz JYARPQAFAGUWPS-UHFFFAOYSA-N 1 0 238.291 0.081 20 30 BCEDRO C=C(C)CCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000335650051 533486556 /nfs/dbraw/zinc/48/65/56/533486556.db2.gz QKSRWHNRQTVYTL-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=C(C)CN(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000334937961 533491149 /nfs/dbraw/zinc/49/11/49/533491149.db2.gz NQWRVLREOAUEJR-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@]1(O)CCO[C@@H]1C ZINC000262862404 533511053 /nfs/dbraw/zinc/51/10/53/533511053.db2.gz UGDRXIDAQXHQEA-KOLCDFICSA-N 1 0 227.308 0.007 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281252093 533513537 /nfs/dbraw/zinc/51/35/37/533513537.db2.gz GYMFDJQFKUNZFQ-ZJUUUORDSA-N 1 0 210.277 0.993 20 30 BCEDRO N#Cc1ccc([N+](=O)[O-])c(N2CC[NH2+]CC2)c1 ZINC000128091900 132232324 /nfs/dbraw/zinc/23/23/24/132232324.db2.gz OWYIFKAYLJSQNB-UHFFFAOYSA-N 1 0 232.243 0.876 20 30 BCEDRO CC1(C)CN(c2nccnc2C#N)CC[NH2+]1 ZINC000133190230 132237530 /nfs/dbraw/zinc/23/75/30/132237530.db2.gz PLBGTFCYNFALNZ-UHFFFAOYSA-N 1 0 217.276 0.536 20 30 BCEDRO C[C@@H]1CN(c2cccc(C#N)n2)CC[N@@H+]1CCO ZINC000302396625 132263114 /nfs/dbraw/zinc/26/31/14/132263114.db2.gz JDVAQUROZFCOGS-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO C[C@@H]1CN(c2nccnc2C#N)C[C@H](C)[NH2+]1 ZINC000054376839 132364254 /nfs/dbraw/zinc/36/42/54/132364254.db2.gz JWPRDKYPHKDCSP-DTORHVGOSA-N 1 0 217.276 0.535 20 30 BCEDRO C#CC[NH2+][C@H]1CCCC[C@@H]1N1CCOCC1 ZINC000372696790 133442779 /nfs/dbraw/zinc/44/27/79/133442779.db2.gz QNOMDBQCFRLDEA-STQMWFEESA-N 1 0 222.332 0.853 20 30 BCEDRO CCCNC(=[NH2+])NCc1ccc(OC)cn1 ZINC000278332798 133552655 /nfs/dbraw/zinc/55/26/55/133552655.db2.gz UEERKFDOCKRLNF-UHFFFAOYSA-N 1 0 222.292 0.905 20 30 BCEDRO CN1CC[NH+]=C1NCc1noc2c1CCCC2 ZINC000287033184 133566880 /nfs/dbraw/zinc/56/68/80/133566880.db2.gz HHUDGLZELQEGOE-UHFFFAOYSA-N 1 0 234.303 0.944 20 30 BCEDRO C=C(C)C[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000335942873 134018370 /nfs/dbraw/zinc/01/83/70/134018370.db2.gz UJNLZWFOJIKXHL-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351959323 134018396 /nfs/dbraw/zinc/01/83/96/134018396.db2.gz OOVNKZKMVOUICJ-QWRGUYRKSA-N 1 0 239.319 0.061 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@H](C#N)C1CC1 ZINC000335973338 134030386 /nfs/dbraw/zinc/03/03/86/134030386.db2.gz GFKCMUYIEZHMOE-ZJUUUORDSA-N 1 0 207.277 0.499 20 30 BCEDRO N#CC1(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000333081190 134086957 /nfs/dbraw/zinc/08/69/57/134086957.db2.gz XDTANNUGPSBXRL-LBPRGKRZSA-N 1 0 219.288 0.502 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000336127571 134093432 /nfs/dbraw/zinc/09/34/32/134093432.db2.gz ZDNWZXSCPWZYPV-SNVBAGLBSA-N 1 0 236.319 0.636 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](CC)C[C@H](C)O ZINC000352202196 134101578 /nfs/dbraw/zinc/10/15/78/134101578.db2.gz IURKIEXIBZKXNV-UWVGGRQHSA-N 1 0 214.309 0.380 20 30 BCEDRO CC[N@H+](CCC(=O)N(C)CCC#N)C[C@@H](C)O ZINC000352203067 134102720 /nfs/dbraw/zinc/10/27/20/134102720.db2.gz OUDVKMWZQPTXBQ-LLVKDONJSA-N 1 0 241.335 0.451 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000333793876 134135059 /nfs/dbraw/zinc/13/50/59/134135059.db2.gz MVTGXCIXTTVOFP-AXFHLTTASA-N 1 0 236.319 0.730 20 30 BCEDRO C[N@H+](C[C@@H](O)CN1CC(C)(C#N)C1)C1CC1 ZINC000333834389 134139151 /nfs/dbraw/zinc/13/91/51/134139151.db2.gz MBOLBDVSXMSIEV-LLVKDONJSA-N 1 0 223.320 0.287 20 30 BCEDRO C=CC[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000336300005 134142439 /nfs/dbraw/zinc/14/24/39/134142439.db2.gz WBHHTYYZAOEUDQ-JTQLQIEISA-N 1 0 211.309 0.908 20 30 BCEDRO CC#CCN1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000336347343 134144336 /nfs/dbraw/zinc/14/43/36/134144336.db2.gz LLAMKPMVQNQTQZ-NEPJUHHUSA-N 1 0 209.289 0.890 20 30 BCEDRO N#CC1(F)CC[NH+](CC2(O)CCOCC2)CC1 ZINC000352491760 134146881 /nfs/dbraw/zinc/14/68/81/134146881.db2.gz SDWCUAWWKZCYOO-UHFFFAOYSA-N 1 0 242.294 0.856 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000352581036 134149036 /nfs/dbraw/zinc/14/90/36/134149036.db2.gz QRBGQWCDMAKAOV-VXGBXAGGSA-N 1 0 238.331 0.742 20 30 BCEDRO C[C@@H](C(=O)NCC#N)[NH+]1CCCCCC1 ZINC000336631939 134152119 /nfs/dbraw/zinc/15/21/19/134152119.db2.gz VSYDWRVLAMMNGY-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C=C(Cl)CNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000167945147 134154918 /nfs/dbraw/zinc/15/49/18/134154918.db2.gz VHCSUKCQOFMWQV-QMMMGPOBSA-N 1 0 202.685 0.855 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000352951151 134158429 /nfs/dbraw/zinc/15/84/29/134158429.db2.gz ZZZTYCVUNXPBLW-YPMHNXCESA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000353039181 134159379 /nfs/dbraw/zinc/15/93/79/134159379.db2.gz IBOAASFOJCZLON-YPMHNXCESA-N 1 0 240.347 0.770 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2ccnn2C)C1 ZINC000104171978 134159401 /nfs/dbraw/zinc/15/94/01/134159401.db2.gz BHAYJFZHOLKZRC-SNVBAGLBSA-N 1 0 235.335 0.967 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CCC(C(=O)NC)CC1 ZINC000305084303 134159888 /nfs/dbraw/zinc/15/98/88/134159888.db2.gz NLJQFKHKLPIBBR-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCC(C(=O)NC)CC1 ZINC000305084305 134159914 /nfs/dbraw/zinc/15/99/14/134159914.db2.gz NLJQFKHKLPIBBR-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000305838287 134160618 /nfs/dbraw/zinc/16/06/18/134160618.db2.gz XYQDCLPFPKDFEW-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)C[C@H]1CCCC[C@@H]1O ZINC000305838286 134160707 /nfs/dbraw/zinc/16/07/07/134160707.db2.gz XYQDCLPFPKDFEW-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCOCCC[N@@H+](C)CCC(N)=O ZINC000353199635 134162527 /nfs/dbraw/zinc/16/25/27/134162527.db2.gz GWXLRVQBVCXGPX-UHFFFAOYSA-N 1 0 200.282 0.386 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](CC)Cn1cncn1 ZINC000353354975 134163355 /nfs/dbraw/zinc/16/33/55/134163355.db2.gz RPJKOGSBWIQJJR-NWDGAFQWSA-N 1 0 238.335 0.831 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000354666710 134169637 /nfs/dbraw/zinc/16/96/37/134169637.db2.gz SOSPRFMRESYLFW-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO CC[N@H+](CCO)CCNC(=O)[C@@](C)(C#N)CC ZINC000354752866 134169790 /nfs/dbraw/zinc/16/97/90/134169790.db2.gz FGWFAXBTBDBTCP-GFCCVEGCSA-N 1 0 241.335 0.357 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000355566290 134173709 /nfs/dbraw/zinc/17/37/09/134173709.db2.gz ALYOTUVBBDJYHV-SNVBAGLBSA-N 1 0 224.304 0.542 20 30 BCEDRO C=CCOCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000355550696 134173823 /nfs/dbraw/zinc/17/38/23/134173823.db2.gz BMCCXRCSAZEJGY-NSHDSACASA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCOCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000355611029 134174020 /nfs/dbraw/zinc/17/40/20/134174020.db2.gz TVFYLIDPBLBHNM-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO CC[N@@H+]1CCC[C@H](CNC(=O)CC#N)C1 ZINC000355957502 134176252 /nfs/dbraw/zinc/17/62/52/134176252.db2.gz ZFBIDFCRWWAPTM-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C12CCC[NH+]1CCC2 ZINC000356360768 134177707 /nfs/dbraw/zinc/17/77/07/134177707.db2.gz JTNSRXKUSXCPTH-LLVKDONJSA-N 1 0 238.331 0.668 20 30 BCEDRO C=CCOCC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000356470387 134178317 /nfs/dbraw/zinc/17/83/17/134178317.db2.gz HCSROQGNBVEJTJ-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO C[C@@H](C#N)C(=O)NCCC[N@H+](C)CCN(C)C ZINC000356502583 134178605 /nfs/dbraw/zinc/17/86/05/134178605.db2.gz HLJDQTLRUYONSK-NSHDSACASA-N 1 0 240.351 0.146 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000356544575 134178707 /nfs/dbraw/zinc/17/87/07/134178707.db2.gz ILAXEQPKJNWKIV-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCNC(=O)CN1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356976811 134181746 /nfs/dbraw/zinc/18/17/46/134181746.db2.gz BUCDOPYHUVPVIO-GHMZBOCLSA-N 1 0 225.336 0.313 20 30 BCEDRO C=CCN(C)C(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000357227201 134182504 /nfs/dbraw/zinc/18/25/04/134182504.db2.gz QKTDHBPKOJIVBS-FGWVZKOKSA-N 1 0 236.315 0.446 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000357309353 134182590 /nfs/dbraw/zinc/18/25/90/134182590.db2.gz TYRMDTXNWUVLKA-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000358073640 134186944 /nfs/dbraw/zinc/18/69/44/134186944.db2.gz QMJORGOZTHTVFR-NSHDSACASA-N 1 0 212.293 0.135 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000359671780 134196698 /nfs/dbraw/zinc/19/66/98/134196698.db2.gz AELCTDPXABBUFB-GXSJLCMTSA-N 1 0 241.360 0.700 20 30 BCEDRO N#CCCCC(=O)NCCNc1cc[nH+]cc1 ZINC000360045486 134198388 /nfs/dbraw/zinc/19/83/88/134198388.db2.gz CIGFFECESMKVJM-UHFFFAOYSA-N 1 0 232.287 0.725 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](NC(=O)CCCC#N)C1 ZINC000360184911 134199060 /nfs/dbraw/zinc/19/90/60/134199060.db2.gz VLCQFYJFEXAACE-LLVKDONJSA-N 1 0 239.319 0.517 20 30 BCEDRO N#CCCCC(=O)NCC[NH+]1CCSCC1 ZINC000360197688 134199132 /nfs/dbraw/zinc/19/91/32/134199132.db2.gz GQFNMEFQRSFIGT-UHFFFAOYSA-N 1 0 241.360 0.845 20 30 BCEDRO C=CCN(CCOC)C(=O)C1CC[NH+](C)CC1 ZINC000361080560 134203150 /nfs/dbraw/zinc/20/31/50/134203150.db2.gz SJVRVLRTCOEJAU-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](OC)C1 ZINC000361367119 134204769 /nfs/dbraw/zinc/20/47/69/134204769.db2.gz DPTWQLXBVTXHNM-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO CC#CCCNC(=O)NCC[N@@H+](C)CCOC ZINC000361410927 134205205 /nfs/dbraw/zinc/20/52/05/134205205.db2.gz SPFVMXFWUKVAKD-UHFFFAOYSA-N 1 0 241.335 0.277 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000361487080 134205819 /nfs/dbraw/zinc/20/58/19/134205819.db2.gz UHULOGONMVBMQV-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000361677158 134207317 /nfs/dbraw/zinc/20/73/17/134207317.db2.gz DUJSWDPFERMVFC-SDDRHHMPSA-N 1 0 229.320 0.395 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(C)CCC#N ZINC000362609169 134212889 /nfs/dbraw/zinc/21/28/89/134212889.db2.gz PLIUKUNUHAHTRU-ZJUUUORDSA-N 1 0 209.293 0.556 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NC1(C#N)CCC1 ZINC000362634564 134213285 /nfs/dbraw/zinc/21/32/85/134213285.db2.gz GEOQEPXTZCLVLX-VHSXEESVSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CC#N)CC#N ZINC000362724080 134214063 /nfs/dbraw/zinc/21/40/63/134214063.db2.gz AJHFENBEYADUHZ-UWVGGRQHSA-N 1 0 220.276 0.060 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCC#N ZINC000362755217 134214352 /nfs/dbraw/zinc/21/43/52/134214352.db2.gz GAZPWFONLINKHR-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000362827625 134214623 /nfs/dbraw/zinc/21/46/23/134214623.db2.gz ANYMJWJYHHPAQF-GFCCVEGCSA-N 1 0 237.347 0.459 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368233693 134217876 /nfs/dbraw/zinc/21/78/76/134217876.db2.gz ZBKVEVMLNLPOBM-UONOGXRCSA-N 1 0 244.338 0.717 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000368331027 134218016 /nfs/dbraw/zinc/21/80/16/134218016.db2.gz ZDTOZPKFZMCZFV-SECBINFHSA-N 1 0 218.322 0.315 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369041289 134221409 /nfs/dbraw/zinc/22/14/09/134221409.db2.gz NUZWUVVTBMMHDU-NSHDSACASA-N 1 0 223.276 0.865 20 30 BCEDRO C#CCC[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000369316000 134222594 /nfs/dbraw/zinc/22/25/94/134222594.db2.gz XZOXMLKGHOFDJA-RYUDHWBXSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CC[NH+]1CCC(CN2CCCC2=O)CC1 ZINC000369809409 134223377 /nfs/dbraw/zinc/22/33/77/134223377.db2.gz BZMLRQRYIACRTI-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C[C@H]1CC(=O)NCC[N@@H+]1CCCCC#N ZINC000371203381 134228079 /nfs/dbraw/zinc/22/80/79/134228079.db2.gz AMLDJGIUFSSZFV-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@@H](C1)OCCN2CC#N ZINC000371292887 134228369 /nfs/dbraw/zinc/22/83/69/134228369.db2.gz DUDCSXUEBGPSNL-GRYCIOLGSA-N 1 0 223.320 0.693 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000372299789 134231351 /nfs/dbraw/zinc/23/13/51/134231351.db2.gz CSGCUPJBQSEGMH-QWRGUYRKSA-N 1 0 211.305 0.770 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000372720180 134232401 /nfs/dbraw/zinc/23/24/01/134232401.db2.gz YCHMOQWWAXNPDS-ZIAGYGMSSA-N 1 0 244.338 0.956 20 30 BCEDRO C[C@H](CO)[N@@H+]1CCCN(CCCC#N)CC1 ZINC000372733757 134232628 /nfs/dbraw/zinc/23/26/28/134232628.db2.gz ALPUPRKZHJRAPT-GFCCVEGCSA-N 1 0 225.336 0.679 20 30 BCEDRO CNC(NCc1ccnc(-n2ccnc2)c1)=[NH+]C ZINC000303257582 134233398 /nfs/dbraw/zinc/23/33/98/134233398.db2.gz JQAYMXFXSFTFQK-UHFFFAOYSA-N 1 0 244.302 0.562 20 30 BCEDRO NC(=[NH2+])NC[C@@H](c1ccccc1)N1CCOCC1 ZINC000303257963 134233425 /nfs/dbraw/zinc/23/34/25/134233425.db2.gz KCUQFCBWTHFBSA-LBPRGKRZSA-N 1 0 248.330 0.333 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CCN(CC)CC1 ZINC000305097362 134239738 /nfs/dbraw/zinc/23/97/38/134239738.db2.gz VLGKJKFFZTZTGR-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000377796523 134245176 /nfs/dbraw/zinc/24/51/76/134245176.db2.gz PMABFTNGTPAEJO-RYUDHWBXSA-N 1 0 236.315 0.094 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@H]1C ZINC000177913503 134301670 /nfs/dbraw/zinc/30/16/70/134301670.db2.gz OIZYEJWNJNSLSF-NXEZZACHSA-N 1 0 239.319 0.729 20 30 BCEDRO CN(C)C(=[NH2+])NCC1(C(=O)N(C)C)CCCC1 ZINC000178576491 134311336 /nfs/dbraw/zinc/31/13/36/134311336.db2.gz HWNRZNIRKFYNDK-UHFFFAOYSA-N 1 0 240.351 0.511 20 30 BCEDRO C=CCCS(=O)(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000178948000 134313737 /nfs/dbraw/zinc/31/37/37/134313737.db2.gz UWFVBGNPFAFORW-SECBINFHSA-N 1 0 218.322 0.186 20 30 BCEDRO C=C(C)C[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000181318407 134335641 /nfs/dbraw/zinc/33/56/41/134335641.db2.gz ZUPYYTVUMQDDLX-NSHDSACASA-N 1 0 209.293 0.752 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000225884941 134356242 /nfs/dbraw/zinc/35/62/42/134356242.db2.gz JGXOMBFZHHUTFC-WDEREUQCSA-N 1 0 225.336 0.218 20 30 BCEDRO CC[C@@H]1CC[C@@H](C)[N@@H+]1CC(=O)NCC#N ZINC000408092207 134391004 /nfs/dbraw/zinc/39/10/04/134391004.db2.gz RPTQKMRZUVAZKQ-NXEZZACHSA-N 1 0 209.293 0.889 20 30 BCEDRO CC[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCC#N ZINC000309067849 134413060 /nfs/dbraw/zinc/41/30/60/134413060.db2.gz AJTCGFYTHMMOGO-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1cccc(C#N)c1 ZINC000104165493 134484842 /nfs/dbraw/zinc/48/48/42/134484842.db2.gz UIQKVYBZAAFEIP-JTQLQIEISA-N 1 0 246.314 0.997 20 30 BCEDRO C=CCNC(=O)CN(CC[NH3+])Cc1ccccc1 ZINC000231031820 134538846 /nfs/dbraw/zinc/53/88/46/134538846.db2.gz KFZFZNAQZUSNQS-UHFFFAOYSA-N 1 0 247.342 0.750 20 30 BCEDRO C=CCN(CC=C)C(=O)C[C@@H](C[NH3+])OC ZINC000232111576 134548504 /nfs/dbraw/zinc/54/85/04/134548504.db2.gz ARSQYIQCASANAV-JTQLQIEISA-N 1 0 212.293 0.551 20 30 BCEDRO COc1cc(C[NH2+][C@H](C)CC(N)=O)ccc1C#N ZINC000234855515 134586112 /nfs/dbraw/zinc/58/61/12/134586112.db2.gz DTGQVGYAHFVTOB-SECBINFHSA-N 1 0 247.298 0.920 20 30 BCEDRO C=CCCS(=O)(=O)NCC[NH2+]CCC ZINC000193346371 134595347 /nfs/dbraw/zinc/59/53/47/134595347.db2.gz WMWGMAGJOQWBEP-UHFFFAOYSA-N 1 0 220.338 0.482 20 30 BCEDRO CS(=O)(=O)NCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309864683 134599530 /nfs/dbraw/zinc/59/95/30/134599530.db2.gz OABVRQOCFYDTFA-ZJUUUORDSA-N 1 0 245.348 0.208 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000124961979 134607659 /nfs/dbraw/zinc/60/76/59/134607659.db2.gz UYLYTLROCCEHJF-NXEZZACHSA-N 1 0 232.349 0.752 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237932938 134644804 /nfs/dbraw/zinc/64/48/04/134644804.db2.gz ANUVRLWECOAUNE-VIFPVBQESA-N 1 0 218.322 0.219 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]Cc1cc(C#N)cs1 ZINC000135518105 134750191 /nfs/dbraw/zinc/75/01/91/134750191.db2.gz YVAZHQSCXKPYMK-SSDOTTSWSA-N 1 0 223.301 0.973 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000159155738 134763953 /nfs/dbraw/zinc/76/39/53/134763953.db2.gz AIAFKTRYJGLXEA-KXUCPTDWSA-N 1 0 212.293 0.444 20 30 BCEDRO N#CCCCC[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000336734440 134917063 /nfs/dbraw/zinc/91/70/63/134917063.db2.gz NCSKLQUQTRWXFO-GHMZBOCLSA-N 1 0 212.293 0.810 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C[C@H](C)O)C(C)C)C1=O ZINC000337173958 135002720 /nfs/dbraw/zinc/00/27/20/135002720.db2.gz HMSUBPNLPXWGQP-NWDGAFQWSA-N 1 0 240.347 0.865 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+]C2(CO)CCCC2)C1=O ZINC000337177287 135003140 /nfs/dbraw/zinc/00/31/40/135003140.db2.gz JNTVYODAJNKTTR-LLVKDONJSA-N 1 0 238.331 0.668 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCOC2)C1=O ZINC000337180098 135004040 /nfs/dbraw/zinc/00/40/40/135004040.db2.gz LZFCJJHGFLLESJ-NWDGAFQWSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)CC2(CO)CC2)C1=O ZINC000337207216 135007208 /nfs/dbraw/zinc/00/72/08/135007208.db2.gz OBMBNQYCPTXMEG-LLVKDONJSA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)CCCCCO)C1=O ZINC000337242463 135008500 /nfs/dbraw/zinc/00/85/00/135008500.db2.gz NPUZTTUVJWAPTE-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@H]2CCCOC2)C1=O ZINC000337236688 135009111 /nfs/dbraw/zinc/00/91/11/135009111.db2.gz YDIBUOPGLCDGMF-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C[C@@H]1CC[C@H](C)C[N@H+]1CC(=O)NCC#N ZINC000076150239 135014860 /nfs/dbraw/zinc/01/48/60/135014860.db2.gz ZLHFVYXVINNZLU-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCOCCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248633360 135016676 /nfs/dbraw/zinc/01/66/76/135016676.db2.gz PQMCRTVEOSXOQM-SRVKXCTJSA-N 1 0 236.315 0.222 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000338256887 135030494 /nfs/dbraw/zinc/03/04/94/135030494.db2.gz WKDUQMJJRKDKOT-QWRGUYRKSA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCC[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000338359872 135033787 /nfs/dbraw/zinc/03/37/87/135033787.db2.gz JIHKTRKCQYTTBN-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C[C@H](C#N)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000366212765 135048776 /nfs/dbraw/zinc/04/87/76/135048776.db2.gz WPNJRZCIPCYKLK-SCZZXKLOSA-N 1 0 207.277 0.356 20 30 BCEDRO C=CCOCCN1CC[NH+](CCOCC)CC1 ZINC000338968972 135049027 /nfs/dbraw/zinc/04/90/27/135049027.db2.gz NCZBWMFMFOYEEH-UHFFFAOYSA-N 1 0 242.363 0.843 20 30 BCEDRO C[N@H+](CCOCCC#N)CCN1CCOCC1 ZINC000338966039 135049365 /nfs/dbraw/zinc/04/93/65/135049365.db2.gz KSTJHJKVFRXLCJ-UHFFFAOYSA-N 1 0 241.335 0.181 20 30 BCEDRO C=CCOCC[N@@H+](C)CCN1CCOCC1 ZINC000338965096 135049843 /nfs/dbraw/zinc/04/98/43/135049843.db2.gz GRPQBBFONYIULL-UHFFFAOYSA-N 1 0 228.336 0.453 20 30 BCEDRO C=CCOCC[N@@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000338994103 135049981 /nfs/dbraw/zinc/04/99/81/135049981.db2.gz FGBLSULLHPAISP-LBPRGKRZSA-N 1 0 238.331 0.932 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@H](OCCO)C1 ZINC000339003004 135051432 /nfs/dbraw/zinc/05/14/32/135051432.db2.gz SMJBISYEBAXDBV-LBPRGKRZSA-N 1 0 242.319 0.390 20 30 BCEDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC000250267704 135052085 /nfs/dbraw/zinc/05/20/85/135052085.db2.gz KSCJGMDDRFMTLA-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO COC(=O)CN(CCOCCC#N)C1CC1 ZINC000339018036 135052405 /nfs/dbraw/zinc/05/24/05/135052405.db2.gz ZBTDFICLRMPYPN-UHFFFAOYSA-N 1 0 226.276 0.554 20 30 BCEDRO C[N@H+](CCOCCC#N)C1(C(N)=O)CCCC1 ZINC000339053887 135054573 /nfs/dbraw/zinc/05/45/73/135054573.db2.gz FHQZJKUAQQPHHS-UHFFFAOYSA-N 1 0 239.319 0.647 20 30 BCEDRO Cn1cc([C@H](CO)[NH2+][C@H]2CC[C@@H](C#N)C2)cn1 ZINC000339086276 135055141 /nfs/dbraw/zinc/05/51/41/135055141.db2.gz ZCNOUGXEWQPEGP-USWWRNFRSA-N 1 0 234.303 0.735 20 30 BCEDRO C=CCOCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000339089034 135057045 /nfs/dbraw/zinc/05/70/45/135057045.db2.gz POSCPXUORFSCAU-GFCCVEGCSA-N 1 0 226.320 0.205 20 30 BCEDRO C=CCOCC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000339155618 135062588 /nfs/dbraw/zinc/06/25/88/135062588.db2.gz OFFMXPDFPFEOSW-GHMZBOCLSA-N 1 0 224.304 0.399 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000339146895 135062628 /nfs/dbraw/zinc/06/26/28/135062628.db2.gz ARNPYUBYTRIPTN-NSHDSACASA-N 1 0 212.293 0.386 20 30 BCEDRO C=CCOCC[N@H+]1CCOC[C@H]1CCOC ZINC000339208509 135066865 /nfs/dbraw/zinc/06/68/65/135066865.db2.gz JGYSNKWDKUKDGT-GFCCVEGCSA-N 1 0 229.320 0.926 20 30 BCEDRO CO/N=C/c1ccc(C(=O)NCC[NH3+])cc1 ZINC000237107698 135069302 /nfs/dbraw/zinc/06/93/02/135069302.db2.gz HOUQWZZGTLHZRO-RIYZIHGNSA-N 1 0 221.260 0.355 20 30 BCEDRO CO/N=C/c1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000237109123 135069357 /nfs/dbraw/zinc/06/93/57/135069357.db2.gz JJDSGOYFJWEHTK-AZZDOICSSA-N 1 0 247.298 0.840 20 30 BCEDRO CC[N@@H+]1CC[C@H]2OCCN(CC#N)[C@@H]2C1 ZINC000339384257 135072708 /nfs/dbraw/zinc/07/27/08/135072708.db2.gz GBRAOUYEYKFYJJ-GHMZBOCLSA-N 1 0 209.293 0.305 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339617535 135076482 /nfs/dbraw/zinc/07/64/82/135076482.db2.gz VRKCYXMYKSQUTB-SRVKXCTJSA-N 1 0 239.363 0.702 20 30 BCEDRO CC[N@H+](CCC(=O)N(C)CCC#N)[C@@H](C)CO ZINC000339635184 135076794 /nfs/dbraw/zinc/07/67/94/135076794.db2.gz RINHQKIMBKKNJO-NSHDSACASA-N 1 0 241.335 0.451 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C1CC1)C(C)(C)CO ZINC000339730905 135078416 /nfs/dbraw/zinc/07/84/16/135078416.db2.gz LNDWQJFXVTZSIB-LBPRGKRZSA-N 1 0 240.347 0.675 20 30 BCEDRO Cc1cnn(CCNC2=[NH+]CCN2C)c1 ZINC000261531553 135108564 /nfs/dbraw/zinc/10/85/64/135108564.db2.gz GZFGZSZWNDOIRU-UHFFFAOYSA-N 1 0 207.281 0.083 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H](O)c2ccccc2)N1 ZINC000261589662 135109767 /nfs/dbraw/zinc/10/97/67/135109767.db2.gz UAPQFVNGPWSKDZ-ONGXEEELSA-N 1 0 219.288 0.657 20 30 BCEDRO CN1CC[NH+]=C1NCc1ccc(C#N)cc1 ZINC000261571329 135110442 /nfs/dbraw/zinc/11/04/42/135110442.db2.gz HLVJVWRNMCSPSL-UHFFFAOYSA-N 1 0 214.272 0.949 20 30 BCEDRO Cc1c(C[NH+]=C(N(C)C)N(C)C)cnn1C ZINC000261676487 135111029 /nfs/dbraw/zinc/11/10/29/135111029.db2.gz DASZKGKAJPKUGN-UHFFFAOYSA-N 1 0 223.324 0.708 20 30 BCEDRO NC(=[NH2+])NCc1ccnc(OCC(F)(F)F)c1 ZINC000261736475 135111108 /nfs/dbraw/zinc/11/11/08/135111108.db2.gz HWMQQXCZUKQZJB-UHFFFAOYSA-N 1 0 248.208 0.796 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cc(C)nn1C ZINC000261751369 135111529 /nfs/dbraw/zinc/11/15/29/135111529.db2.gz JWKPZAJMAXUYBB-UHFFFAOYSA-N 1 0 221.308 0.709 20 30 BCEDRO C=CCNC(=[NH+]C)N(C)Cc1ccon1 ZINC000261816333 135111951 /nfs/dbraw/zinc/11/19/51/135111951.db2.gz TYSWLEHHMXVWQL-UHFFFAOYSA-N 1 0 208.265 0.868 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@](C)(O)c2ccccc2)N1 ZINC000261859301 135111992 /nfs/dbraw/zinc/11/19/92/135111992.db2.gz AHBKXKUNDPABNM-ZWNOBZJWSA-N 1 0 233.315 0.831 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccnc(OC)c1 ZINC000261899441 135112486 /nfs/dbraw/zinc/11/24/86/135112486.db2.gz VTFRKEVKIKRYHN-UHFFFAOYSA-N 1 0 220.276 0.681 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1CCN(c2ccccc2OC)C1 ZINC000261989537 135113120 /nfs/dbraw/zinc/11/31/20/135113120.db2.gz QYFROMGTPLJNOZ-SNVBAGLBSA-N 1 0 248.330 0.808 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1(O)CCOCC1 ZINC000261980017 135113612 /nfs/dbraw/zinc/11/36/12/135113612.db2.gz HRHXIBQAIQVPKA-UHFFFAOYSA-N 1 0 227.308 0.008 20 30 BCEDRO C=CCSCCNC(=[NH2+])N1CCOCC1 ZINC000262013785 135114390 /nfs/dbraw/zinc/11/43/90/135114390.db2.gz VFFOCLAZSJBXQS-UHFFFAOYSA-N 1 0 229.349 0.553 20 30 BCEDRO CN(C)C(=[NH+]Cc1ccc(C(N)=O)cc1)N(C)C ZINC000262202356 135116681 /nfs/dbraw/zinc/11/66/81/135116681.db2.gz DFFFYLHFDJVMLK-UHFFFAOYSA-N 1 0 248.330 0.765 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1=CCCOC1 ZINC000262249778 135116998 /nfs/dbraw/zinc/11/69/98/135116998.db2.gz CGBPWMJDPSSOAV-UHFFFAOYSA-N 1 0 209.293 0.814 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1CCN(c2cccc(OC)c2)C1 ZINC000262190341 135117005 /nfs/dbraw/zinc/11/70/05/135117005.db2.gz YHNBZOICHWVADO-SNVBAGLBSA-N 1 0 248.330 0.808 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NCc1ccnn1C ZINC000262181250 135117272 /nfs/dbraw/zinc/11/72/72/135117272.db2.gz WSJPXWFKWXDBTQ-UHFFFAOYSA-N 1 0 247.302 0.878 20 30 BCEDRO C=CCNC(NC[C@@H]1CCC[C@@H]1O)=[NH+]C ZINC000262375173 135117775 /nfs/dbraw/zinc/11/77/75/135117775.db2.gz JHXWOESDFPBANS-UWVGGRQHSA-N 1 0 211.309 0.498 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ncccc1N(C)C ZINC000262410207 135118963 /nfs/dbraw/zinc/11/89/63/135118963.db2.gz XICJOYVYYJIVMM-UHFFFAOYSA-N 1 0 221.308 0.524 20 30 BCEDRO COc1ccc([C@H](O)CNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000262635758 135119384 /nfs/dbraw/zinc/11/93/84/135119384.db2.gz GUXVYGNRTIYYAC-BXKDBHETSA-N 1 0 249.314 0.666 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H](O)c2cccc(F)c2)N1 ZINC000262628828 135119509 /nfs/dbraw/zinc/11/95/09/135119509.db2.gz FEMSUIPWYFVUGR-LDYMZIIASA-N 1 0 237.278 0.796 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCC[C@H]1O ZINC000262536824 135119763 /nfs/dbraw/zinc/11/97/63/135119763.db2.gz PXYPOSSNBANHMK-NXEZZACHSA-N 1 0 211.309 0.628 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2ccc(O)c(F)c2)N1 ZINC000262627021 135119796 /nfs/dbraw/zinc/11/97/96/135119796.db2.gz DRYCCKMQLQVTGB-ZETCQYMHSA-N 1 0 223.251 0.969 20 30 BCEDRO CCc1nn(C)c(CC)c1CNC1=[NH+]C[C@H](C)N1 ZINC000262669637 135120202 /nfs/dbraw/zinc/12/02/02/135120202.db2.gz QKIHDOGBSMGYHM-VIFPVBQESA-N 1 0 249.362 0.982 20 30 BCEDRO CCc1nn(C)c(CC)c1CNC1=[NH+]C[C@@H](C)N1 ZINC000262669633 135120635 /nfs/dbraw/zinc/12/06/35/135120635.db2.gz QKIHDOGBSMGYHM-SECBINFHSA-N 1 0 249.362 0.982 20 30 BCEDRO COC(=O)c1ccc(CNC2=[NH+]CCN2C)o1 ZINC000262678632 135120871 /nfs/dbraw/zinc/12/08/71/135120871.db2.gz UYFFYSKEEYTQDY-UHFFFAOYSA-N 1 0 237.259 0.457 20 30 BCEDRO Cc1cnccc1CCNC1=[NH+]CCN1C ZINC000262683068 135120998 /nfs/dbraw/zinc/12/09/98/135120998.db2.gz XDYUDVBEKDIYOM-UHFFFAOYSA-N 1 0 218.304 0.824 20 30 BCEDRO CN1CC[NH+]=C1NC[C@](C)(O)c1ccccc1 ZINC000262683215 135121207 /nfs/dbraw/zinc/12/12/07/135121207.db2.gz XGHLRVPTTFPWJN-ZDUSSCGKSA-N 1 0 233.315 0.785 20 30 BCEDRO CN1CC[NH+]=C1NC[C@H](O)c1cccc(F)c1 ZINC000262678986 135121264 /nfs/dbraw/zinc/12/12/64/135121264.db2.gz VCLCODXUSORVRS-NSHDSACASA-N 1 0 237.278 0.750 20 30 BCEDRO CN(C)C(=[NH2+])NCC1(CO)CC2(CCC2)C1 ZINC000262807511 135122753 /nfs/dbraw/zinc/12/27/53/135122753.db2.gz OKXNQYJHTDCLFG-UHFFFAOYSA-N 1 0 225.336 0.806 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(C)n(C)c1=O ZINC000262799293 135122986 /nfs/dbraw/zinc/12/29/86/135122986.db2.gz QKRYLYUVFTWGCO-UHFFFAOYSA-N 1 0 234.303 0.284 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1cnn(C)n1 ZINC000263128179 135125054 /nfs/dbraw/zinc/12/50/54/135125054.db2.gz GAUMACHHBHUCSO-SSDOTTSWSA-N 1 0 210.285 0.018 20 30 BCEDRO NC(=[NH2+])NC[C@H]1CCOc2ccccc21 ZINC000263189259 135125449 /nfs/dbraw/zinc/12/54/49/135125449.db2.gz XYCKZTRSQSROMR-MRVPVSSYSA-N 1 0 205.261 0.826 20 30 BCEDRO C[NH+]=C(NCc1nnc2n1CCC2)NCC1CC1 ZINC000263244251 135125824 /nfs/dbraw/zinc/12/58/24/135125824.db2.gz MHZKUXUYSBNJBB-UHFFFAOYSA-N 1 0 248.334 0.299 20 30 BCEDRO C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1C[C@@H]1C ZINC000263276429 135126121 /nfs/dbraw/zinc/12/61/21/135126121.db2.gz YNEUEKDGEMQYQA-IUCAKERBSA-N 1 0 248.334 0.298 20 30 BCEDRO C[NH+]=C(NCCCc1nc(C)no1)NC1CC1 ZINC000264039197 135130304 /nfs/dbraw/zinc/13/03/04/135130304.db2.gz HVTVXGVCBNMFKW-UHFFFAOYSA-N 1 0 237.307 0.638 20 30 BCEDRO C#CCN1CCN(C[C@H]2CCCC[N@H+]2C)CC1 ZINC000078601937 135130651 /nfs/dbraw/zinc/13/06/51/135130651.db2.gz SNEDSQJTZWPXRL-CQSZACIVSA-N 1 0 235.375 0.722 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccc(Cl)nc1 ZINC000264063560 135130933 /nfs/dbraw/zinc/13/09/33/135130933.db2.gz DKSSAGULSYSROY-UHFFFAOYSA-N 1 0 242.710 0.786 20 30 BCEDRO CNC(NCCc1ccccc1O)=[NH+]C ZINC000264069164 135131017 /nfs/dbraw/zinc/13/10/17/135131017.db2.gz CRCLAVYSQPEXBQ-UHFFFAOYSA-N 1 0 207.277 0.730 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000264065767 135131039 /nfs/dbraw/zinc/13/10/39/135131039.db2.gz BESOPPAGJNZOPJ-VIFPVBQESA-N 1 0 248.330 0.988 20 30 BCEDRO Cc1nc(CCNC(=[NH2+])N(C)C)cs1 ZINC000264062299 135131313 /nfs/dbraw/zinc/13/13/13/135131313.db2.gz DCTJHHRFMGMENO-UHFFFAOYSA-N 1 0 212.322 0.870 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(N(C)C)c(F)c1 ZINC000264077299 135131739 /nfs/dbraw/zinc/13/17/39/135131739.db2.gz GFNPYVWYPFTGQL-UHFFFAOYSA-N 1 0 224.283 0.926 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccc(C)nc1 ZINC000264077291 135131864 /nfs/dbraw/zinc/13/18/64/135131864.db2.gz GFLSXEOSWTUQNA-UHFFFAOYSA-N 1 0 222.292 0.441 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCNC(=O)C(C)C ZINC000264081541 135132009 /nfs/dbraw/zinc/13/20/09/135132009.db2.gz INYPWZAEGGFGPW-UHFFFAOYSA-N 1 0 226.324 0.239 20 30 BCEDRO [NH2+]=C(NCc1ccsc1)N1CCOCC1 ZINC000264088007 135132363 /nfs/dbraw/zinc/13/23/63/135132363.db2.gz KDHXZEGBDOPAHX-UHFFFAOYSA-N 1 0 225.317 0.895 20 30 BCEDRO COc1ccc([C@@H](O)CNC(=[NH2+])N(C)C)cc1 ZINC000264089957 135132509 /nfs/dbraw/zinc/13/25/09/135132509.db2.gz KQKAMQOZBRMOLW-NSHDSACASA-N 1 0 237.303 0.605 20 30 BCEDRO CNC(=[NH2+])NCCc1ccc(NC(C)=O)cc1 ZINC000264089111 135132528 /nfs/dbraw/zinc/13/25/28/135132528.db2.gz KMUBIRCCCFVKFC-UHFFFAOYSA-N 1 0 234.303 0.722 20 30 BCEDRO CNC(NCC(=O)N(C)Cc1ccccc1)=[NH+]C ZINC000264085236 135132546 /nfs/dbraw/zinc/13/25/46/135132546.db2.gz JBKQVWNMUUFTSQ-UHFFFAOYSA-N 1 0 248.330 0.440 20 30 BCEDRO CNC(NCCOc1ccccc1F)=[NH+]C ZINC000264090292 135132598 /nfs/dbraw/zinc/13/25/98/135132598.db2.gz KUMOWYITPFMKQD-UHFFFAOYSA-N 1 0 225.267 0.999 20 30 BCEDRO CNC(=[NH2+])NCCN1c2ccccc2C[C@H]1C ZINC000264098556 135133182 /nfs/dbraw/zinc/13/31/82/135133182.db2.gz NEFRHYLVVYUAPN-SNVBAGLBSA-N 1 0 232.331 0.972 20 30 BCEDRO NC(=[NH2+])NC[C@H](CO)Cc1ccc(F)cc1 ZINC000264105511 135133347 /nfs/dbraw/zinc/13/33/47/135133347.db2.gz PINIULVBIFCWIS-SECBINFHSA-N 1 0 225.267 0.250 20 30 BCEDRO CC(C)NC(=O)Nc1ccc(CNC(N)=[NH2+])cc1 ZINC000264111701 135133763 /nfs/dbraw/zinc/13/37/63/135133763.db2.gz QZIXDMFMKGSNKM-UHFFFAOYSA-N 1 0 249.318 0.990 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCc1ccccn1 ZINC000264109184 135133913 /nfs/dbraw/zinc/13/39/13/135133913.db2.gz OKYFRKQFDDRVME-SNVBAGLBSA-N 1 0 236.319 0.563 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ccccc1O ZINC000264115313 135133927 /nfs/dbraw/zinc/13/39/27/135133927.db2.gz PRROIZSSUYWYQP-VIFPVBQESA-N 1 0 237.303 0.831 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCCC(=O)OC ZINC000264120722 135134288 /nfs/dbraw/zinc/13/42/88/135134288.db2.gz USABMVVMZCPNHE-UHFFFAOYSA-N 1 0 227.308 0.810 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCCn1ccnc1 ZINC000264121160 135134385 /nfs/dbraw/zinc/13/43/85/135134385.db2.gz RBFSQDBEDNLTSZ-JTQLQIEISA-N 1 0 239.323 0.212 20 30 BCEDRO CNC(NCC(=O)Nc1ccccc1)=[NH+]C ZINC000264125906 135134387 /nfs/dbraw/zinc/13/43/87/135134387.db2.gz WGXFAPBKUNWPMH-UHFFFAOYSA-N 1 0 220.276 0.420 20 30 BCEDRO CNC(=[NH2+])NCCCn1cnc2ccccc21 ZINC000264142482 135134867 /nfs/dbraw/zinc/13/48/67/135134867.db2.gz XBESSHKMGIAQHZ-UHFFFAOYSA-N 1 0 231.303 0.961 20 30 BCEDRO COCCNC(=[NH2+])NCc1cccs1 ZINC000264133230 135135093 /nfs/dbraw/zinc/13/50/93/135135093.db2.gz URZIKZAIPDXRCA-UHFFFAOYSA-N 1 0 213.306 0.799 20 30 BCEDRO CCCNC(=[NH2+])NCC(=O)Nc1ccccc1 ZINC000264128300 135135175 /nfs/dbraw/zinc/13/51/75/135135175.db2.gz WZWKZEBTFCFIJK-UHFFFAOYSA-N 1 0 234.303 0.939 20 30 BCEDRO CCCNC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000264137483 135135285 /nfs/dbraw/zinc/13/52/85/135135285.db2.gz VOKPUDRMSPYISW-UHFFFAOYSA-N 1 0 234.303 0.600 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@H](O)Cc1ccccc1 ZINC000264153949 135135609 /nfs/dbraw/zinc/13/56/09/135135609.db2.gz AGMLFLRBSIZQAT-LLVKDONJSA-N 1 0 221.304 0.466 20 30 BCEDRO CNC(NC[C@@H](O)Cc1ccccc1)=[NH+]C ZINC000264160462 135135943 /nfs/dbraw/zinc/13/59/43/135135943.db2.gz BGBXAOPGXZRORT-NSHDSACASA-N 1 0 221.304 0.385 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@H](O)Cc1ccccc1 ZINC000264153956 135135965 /nfs/dbraw/zinc/13/59/65/135135965.db2.gz AGMLFLRBSIZQAT-NSHDSACASA-N 1 0 221.304 0.466 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)N(CC#N)C1CC1 ZINC000265672934 135145810 /nfs/dbraw/zinc/14/58/10/135145810.db2.gz UEUCAXDENLVPOH-ONEGZZNKSA-N 1 0 207.277 0.619 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCSC[C@H]2C#N)C1 ZINC000259950810 135146306 /nfs/dbraw/zinc/14/63/06/135146306.db2.gz RVTUTHODVRFASF-NXEZZACHSA-N 1 0 239.344 0.406 20 30 BCEDRO CN(CCC#N)C(=O)C1CC[NH+](C)CC1 ZINC000260116317 135147167 /nfs/dbraw/zinc/14/71/67/135147167.db2.gz RGBFFKPOUSWHRB-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO CNC(NC[C@@](C)(O)c1ccco1)=[NH+]C ZINC000266074467 135147734 /nfs/dbraw/zinc/14/77/34/135147734.db2.gz ABBVOUGIOZBQSH-SNVBAGLBSA-N 1 0 211.265 0.282 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](CO)c1ccccc1 ZINC000267385174 135153389 /nfs/dbraw/zinc/15/33/89/135153389.db2.gz BLVRUUHOARCMPK-LBPRGKRZSA-N 1 0 233.315 0.853 20 30 BCEDRO C=CCNC(=[NH2+])NCCN(C)CC(F)(F)F ZINC000267420173 135154048 /nfs/dbraw/zinc/15/40/48/135154048.db2.gz KIIHLGLXGBVUBB-UHFFFAOYSA-N 1 0 238.257 0.571 20 30 BCEDRO CNC(=[NH2+])NCCCc1ccc(O)cc1 ZINC000267401118 135154126 /nfs/dbraw/zinc/15/41/26/135154126.db2.gz FYJKZDYABUGLIZ-UHFFFAOYSA-N 1 0 207.277 0.859 20 30 BCEDRO C=CCNC(=[NH2+])NCCCOC1CCOCC1 ZINC000267437786 135154245 /nfs/dbraw/zinc/15/42/45/135154245.db2.gz OGXBROLJGUPZSI-UHFFFAOYSA-N 1 0 241.335 0.662 20 30 BCEDRO COc1cccc([C@@H](O)CNC(=[NH2+])N(C)C)c1 ZINC000267472368 135155053 /nfs/dbraw/zinc/15/50/53/135155053.db2.gz YIJNAPBKBZQINF-NSHDSACASA-N 1 0 237.303 0.605 20 30 BCEDRO COCCC(C)(C)CNC1=[NH+]C[C@@H](C)N1 ZINC000261529636 135155561 /nfs/dbraw/zinc/15/55/61/135155561.db2.gz BEZYUKBJHLOEGM-SECBINFHSA-N 1 0 213.325 0.986 20 30 BCEDRO CN1CC[NH+]=C1NCC1(C)CCOCC1 ZINC000261531694 135160755 /nfs/dbraw/zinc/16/07/55/135160755.db2.gz HMYCXKIAVJZJRZ-UHFFFAOYSA-N 1 0 211.309 0.694 20 30 BCEDRO Cc1nccn1CCNC(=[NH2+])NC(C)C ZINC000261532024 135162094 /nfs/dbraw/zinc/16/20/94/135162094.db2.gz IUBIAXBNPWTZRI-UHFFFAOYSA-N 1 0 209.297 0.504 20 30 BCEDRO CN1CC[NH+]=C1NCCc1ccccn1 ZINC000261534738 135168094 /nfs/dbraw/zinc/16/80/94/135168094.db2.gz MYHCROFFAFMWNU-UHFFFAOYSA-N 1 0 204.277 0.515 20 30 BCEDRO C[C@@](O)(CNC(N)=[NH2+])c1ccc(F)cc1 ZINC000270457836 135172068 /nfs/dbraw/zinc/17/20/68/135172068.db2.gz WHVVEQBEHBXRGQ-SNVBAGLBSA-N 1 0 211.240 0.307 20 30 BCEDRO C[C@](O)(CNC(N)=[NH2+])c1ccc(F)cc1 ZINC000270457835 135172468 /nfs/dbraw/zinc/17/24/68/135172468.db2.gz WHVVEQBEHBXRGQ-JTQLQIEISA-N 1 0 211.240 0.307 20 30 BCEDRO N#Cc1cccc(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261557702 135197919 /nfs/dbraw/zinc/19/79/19/135197919.db2.gz RUWODXBITNHVGZ-QWRGUYRKSA-N 1 0 228.299 0.999 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2nc[nH]n2)CC1 ZINC000299123291 135202047 /nfs/dbraw/zinc/20/20/47/135202047.db2.gz ACVLWFPNIKZIGT-UHFFFAOYSA-N 1 0 233.275 0.088 20 30 BCEDRO C#CCN(CC)C(=O)C1CC[NH+](CC#C)CC1 ZINC000299353557 135203193 /nfs/dbraw/zinc/20/31/93/135203193.db2.gz OWHHMXKNEKNKAH-UHFFFAOYSA-N 1 0 232.327 0.813 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H]2Cc3ccccc3O2)N1 ZINC000261567612 135209233 /nfs/dbraw/zinc/20/92/33/135209233.db2.gz ZXMNCGLNMPWGPY-GXSJLCMTSA-N 1 0 231.299 0.927 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H]2Cc3ccccc3O2)N1 ZINC000261567614 135209863 /nfs/dbraw/zinc/20/98/63/135209863.db2.gz ZXMNCGLNMPWGPY-MWLCHTKSSA-N 1 0 231.299 0.927 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261568364 135210528 /nfs/dbraw/zinc/21/05/28/135210528.db2.gz FLIFVCUWRPJSJM-UWVGGRQHSA-N 1 0 212.293 0.385 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261568365 135210723 /nfs/dbraw/zinc/21/07/23/135210723.db2.gz FLIFVCUWRPJSJM-VHSXEESVSA-N 1 0 212.293 0.385 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000261571994 135214247 /nfs/dbraw/zinc/21/42/47/135214247.db2.gz HYEGEAHFWFFQRL-JTQLQIEISA-N 1 0 212.293 0.386 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@H]1CO ZINC000042432842 135220545 /nfs/dbraw/zinc/22/05/45/135220545.db2.gz HQFJZZKAQSKDSG-NSHDSACASA-N 1 0 239.319 0.205 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)CC(=O)NC1CC1 ZINC000121336846 135222840 /nfs/dbraw/zinc/22/28/40/135222840.db2.gz BUSSPBHXGWBAPZ-NSHDSACASA-N 1 0 226.320 0.524 20 30 BCEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC(C)C ZINC000121501305 135224663 /nfs/dbraw/zinc/22/46/63/135224663.db2.gz VZQKGHTVELPUCE-VIFPVBQESA-N 1 0 227.308 0.727 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCC[C@H](C[NH3+])C1 ZINC000044531324 135226572 /nfs/dbraw/zinc/22/65/72/135226572.db2.gz ZPLFQSPKIJEJQM-GHMZBOCLSA-N 1 0 225.336 0.348 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@@](C)(C[NH3+])C1 ZINC000261585820 135226737 /nfs/dbraw/zinc/22/67/37/135226737.db2.gz QQMKMLFVHOKBGV-PWSUYJOCSA-N 1 0 225.336 0.348 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261586272 135227587 /nfs/dbraw/zinc/22/75/87/135227587.db2.gz QYMNIVJZIQMOTQ-VHSXEESVSA-N 1 0 212.293 0.385 20 30 BCEDRO C=CCCC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000261589024 135229236 /nfs/dbraw/zinc/22/92/36/135229236.db2.gz SUKXNTXVGKVCEI-GFCCVEGCSA-N 1 0 226.320 0.837 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000340921305 135232269 /nfs/dbraw/zinc/23/22/69/135232269.db2.gz KYBPSZKKTGUCAZ-MNOVXSKESA-N 1 0 239.319 0.204 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000261546380 135238702 /nfs/dbraw/zinc/23/87/02/135238702.db2.gz KZBSPOOQARWSOC-VHSXEESVSA-N 1 0 232.349 0.480 20 30 BCEDRO C[NH+]=C(NCC1CC1)N(C)C[C@@H]1CCOC1 ZINC000261632159 135241911 /nfs/dbraw/zinc/24/19/11/135241911.db2.gz JSIUNOGPYOXACB-NSHDSACASA-N 1 0 225.336 0.940 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@H](CO)C1 ZINC000304319058 135243369 /nfs/dbraw/zinc/24/33/69/135243369.db2.gz SCPNNLUHHHUHFU-NSHDSACASA-N 1 0 239.319 0.063 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000342043380 135246757 /nfs/dbraw/zinc/24/67/57/135246757.db2.gz GNNNHBQLSMXVFQ-MNOVXSKESA-N 1 0 237.303 0.270 20 30 BCEDRO NC(=[NH2+])NCCc1cnc(C2CC2)nc1 ZINC000261725482 135248230 /nfs/dbraw/zinc/24/82/30/135248230.db2.gz LCRXXQURNGGUAG-UHFFFAOYSA-N 1 0 205.265 0.170 20 30 BCEDRO C[C@@H]1C[C@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261734967 135248821 /nfs/dbraw/zinc/24/88/21/135248821.db2.gz HUAKCJDQMRBCPJ-UTLUCORTSA-N 1 0 211.309 0.726 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H]1CCCCO1 ZINC000261756323 135250000 /nfs/dbraw/zinc/25/00/00/135250000.db2.gz KVXJEJIEWFRSFO-VIFPVBQESA-N 1 0 215.297 0.106 20 30 BCEDRO CNC(N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2)=[NH+]C ZINC000261777647 135251908 /nfs/dbraw/zinc/25/19/08/135251908.db2.gz HCQQVZLEBLPDEE-IVZWLZJFSA-N 1 0 223.320 0.739 20 30 BCEDRO CNC(NCc1ncnn1C(C)(C)C)=[NH+]C ZINC000261782120 135252185 /nfs/dbraw/zinc/25/21/85/135252185.db2.gz KGDXRRKYZOOJFG-UHFFFAOYSA-N 1 0 224.312 0.328 20 30 BCEDRO [NH2+]=C(NCCC1(O)CCC1)N1CCSCC1 ZINC000261879593 135258957 /nfs/dbraw/zinc/25/89/57/135258957.db2.gz QPUQNMXRCQDNKV-UHFFFAOYSA-N 1 0 243.376 0.655 20 30 BCEDRO Cc1ncsc1CNC(=[NH2+])N1CCOCC1 ZINC000261967620 135266842 /nfs/dbraw/zinc/26/68/42/135266842.db2.gz BZBPJWIYXVLKTE-UHFFFAOYSA-N 1 0 240.332 0.598 20 30 BCEDRO C[NH+]=C(NC1CC1)N1CCO[C@@H](COC)C1 ZINC000261966883 135267177 /nfs/dbraw/zinc/26/71/77/135267177.db2.gz PXKUEXSJFWIQDA-SNVBAGLBSA-N 1 0 227.308 0.071 20 30 BCEDRO C[NH+]=C(NCc1nnc(C)n1C)NC(C)C ZINC000261970943 135268018 /nfs/dbraw/zinc/26/80/18/135268018.db2.gz MUNJTCXFAJGURO-UHFFFAOYSA-N 1 0 224.312 0.197 20 30 BCEDRO CN(C)C(=[NH2+])NCc1nccn1CC(F)(F)F ZINC000261975470 135268932 /nfs/dbraw/zinc/26/89/32/135268932.db2.gz FVLAZLAGTOOIIE-UHFFFAOYSA-N 1 0 249.240 0.822 20 30 BCEDRO [NH2+]=C(NCCn1cccn1)NCC1CCC1 ZINC000261993836 135270318 /nfs/dbraw/zinc/27/03/18/135270318.db2.gz NBVPRQVLWRTXDL-UHFFFAOYSA-N 1 0 221.308 0.588 20 30 BCEDRO CN(C)C(=[NH+]CCn1cccn1)N(C)C ZINC000261992389 135270516 /nfs/dbraw/zinc/27/05/16/135270516.db2.gz MNXMXUJDMVILID-UHFFFAOYSA-N 1 0 209.297 0.362 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCCO1)N1CCSCC1 ZINC000261996083 135270886 /nfs/dbraw/zinc/27/08/86/135270886.db2.gz NVYRMCZWRATQGB-SNVBAGLBSA-N 1 0 243.376 0.919 20 30 BCEDRO [NH2+]=C(NCC1(O)CCCC1)N1CCSCC1 ZINC000262007920 135272186 /nfs/dbraw/zinc/27/21/86/135272186.db2.gz SGIODBFNPHMNIV-UHFFFAOYSA-N 1 0 243.376 0.655 20 30 BCEDRO CC(C)NC(=[NH2+])NCC(=O)Nc1ccccc1 ZINC000262019464 135272994 /nfs/dbraw/zinc/27/29/94/135272994.db2.gz XEUHDOOYFGFEHN-UHFFFAOYSA-N 1 0 234.303 0.938 20 30 BCEDRO CNC(=[NH2+])NCc1csc([C@H](C)OC)n1 ZINC000262047902 135276319 /nfs/dbraw/zinc/27/63/19/135276319.db2.gz ZGHUUZCAPVHVAF-LURJTMIESA-N 1 0 228.321 0.885 20 30 BCEDRO C[C@@H]1CC[C@@H]1NC(=[NH2+])NC[C@H]1CCCO1 ZINC000262100995 135278542 /nfs/dbraw/zinc/27/85/42/135278542.db2.gz IRSHGAUONRIWRB-BBBLOLIVSA-N 1 0 211.309 0.868 20 30 BCEDRO C[NH+]=C(NC[C@H]1COCCO1)N1CCCC1 ZINC000262182954 135284500 /nfs/dbraw/zinc/28/45/00/135284500.db2.gz XCUGIIDFOCOLMP-JTQLQIEISA-N 1 0 227.308 0.073 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1nc(C)no1 ZINC000262182806 135284639 /nfs/dbraw/zinc/28/46/39/135284639.db2.gz WZDUGYTZYQHRGB-LURJTMIESA-N 1 0 211.269 0.581 20 30 BCEDRO C[NH+]=C(NC[C@@H]1COCCO1)N1CCCC1 ZINC000262182957 135284649 /nfs/dbraw/zinc/28/46/49/135284649.db2.gz XCUGIIDFOCOLMP-SNVBAGLBSA-N 1 0 227.308 0.073 20 30 BCEDRO C=CCNC(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000262225690 135286406 /nfs/dbraw/zinc/28/64/06/135286406.db2.gz NCXBWJTXSRACDG-SNVBAGLBSA-N 1 0 211.309 0.943 20 30 BCEDRO CN(C(=[NH2+])NCc1noc(C2CC2)n1)C1CC1 ZINC000262257623 135288059 /nfs/dbraw/zinc/28/80/59/135288059.db2.gz QOVAMCBZAUPROT-UHFFFAOYSA-N 1 0 235.291 0.856 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCCS1(=O)=O)NC1CC1 ZINC000262247902 135288349 /nfs/dbraw/zinc/28/83/49/135288349.db2.gz PBUNVEQIZUVRIV-SECBINFHSA-N 1 0 245.348 0.020 20 30 BCEDRO CN(C(=[NH2+])NCCn1cccn1)C1CC1 ZINC000262252003 135288450 /nfs/dbraw/zinc/28/84/50/135288450.db2.gz PPTBTPPGMZNXFG-UHFFFAOYSA-N 1 0 207.281 0.292 20 30 BCEDRO CC(C)CNC(=[NH2+])NCC1(CO)CCC1 ZINC000262274644 135288652 /nfs/dbraw/zinc/28/86/52/135288652.db2.gz UMMLYONEMAQWLX-UHFFFAOYSA-N 1 0 213.325 0.709 20 30 BCEDRO CN(C(=[NH2+])NC[C@H](O)C(F)(F)F)C1CC1 ZINC000262273636 135288979 /nfs/dbraw/zinc/28/89/79/135288979.db2.gz UIWWDYIWKQYGBR-LURJTMIESA-N 1 0 225.214 0.319 20 30 BCEDRO C[C@H](CC#N)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000342561578 135289399 /nfs/dbraw/zinc/28/93/99/135289399.db2.gz VWTUWIFKQFDMEK-BBBLOLIVSA-N 1 0 209.293 0.602 20 30 BCEDRO CC(C)NC(=O)CNC(=[NH2+])Nc1ccccn1 ZINC000262283480 135289893 /nfs/dbraw/zinc/28/98/93/135289893.db2.gz MBLNXUARRLSSHF-UHFFFAOYSA-N 1 0 235.291 0.333 20 30 BCEDRO [NH2+]=C(NCC[C@@H]1CCOC1)N1CCSCC1 ZINC000262279121 135289992 /nfs/dbraw/zinc/28/99/92/135289992.db2.gz VIGPYGZXIOBWHR-SNVBAGLBSA-N 1 0 243.376 0.777 20 30 BCEDRO C=CCNC(=O)N1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000262297509 135291669 /nfs/dbraw/zinc/29/16/69/135291669.db2.gz WYBVVXHOQQCNPT-UWVGGRQHSA-N 1 0 211.309 0.941 20 30 BCEDRO Cc1nnc(CCNC2=[NH+]C[C@@H](C)N2)s1 ZINC000262316295 135292131 /nfs/dbraw/zinc/29/21/31/135292131.db2.gz QRNVWFCWZQMAKE-ZCFIWIBFSA-N 1 0 225.321 0.326 20 30 BCEDRO C=CCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000262309323 135292364 /nfs/dbraw/zinc/29/23/64/135292364.db2.gz YSILCZXXWXZUFR-UWVGGRQHSA-N 1 0 211.309 0.860 20 30 BCEDRO CCCNC(=[NH2+])NC[C@H]1CCCS(=O)(=O)C1 ZINC000262337509 135293663 /nfs/dbraw/zinc/29/36/63/135293663.db2.gz XLOJTJCRDUOUOY-SECBINFHSA-N 1 0 247.364 0.126 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1ncnn1CC ZINC000262342881 135294177 /nfs/dbraw/zinc/29/41/77/135294177.db2.gz HICLRUQHKXGFJP-QMMMGPOBSA-N 1 0 224.312 0.501 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCCS1 ZINC000262416310 135295846 /nfs/dbraw/zinc/29/58/46/135295846.db2.gz QFMQFYKVBPFQNN-UWVGGRQHSA-N 1 0 243.376 0.965 20 30 BCEDRO C[NH+]=C(NC[C@@]1(O)CCSC1)N1CCCC1 ZINC000262432687 135296825 /nfs/dbraw/zinc/29/68/25/135296825.db2.gz BVVFBIXZKWHMQY-NSHDSACASA-N 1 0 243.376 0.526 20 30 BCEDRO [NH2+]=C(NCCNC(=O)C1CC1)Nc1ccccn1 ZINC000262381736 135298086 /nfs/dbraw/zinc/29/80/86/135298086.db2.gz XXMVBNCWAUTYOQ-UHFFFAOYSA-N 1 0 247.302 0.334 20 30 BCEDRO [NH2+]=C(NCCc1cn[nH]c1)NC[C@H]1CCCO1 ZINC000262387411 135298926 /nfs/dbraw/zinc/29/89/26/135298926.db2.gz QFROQGHQVXTILP-SNVBAGLBSA-N 1 0 237.307 0.036 20 30 BCEDRO C[C@H]1C[C@@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262446685 135299721 /nfs/dbraw/zinc/29/97/21/135299721.db2.gz IWPDTDOENJQBQR-IVZWLZJFSA-N 1 0 211.309 0.678 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCC=CO2)CCO1 ZINC000262476379 135301837 /nfs/dbraw/zinc/30/18/37/135301837.db2.gz QGHZDPSGQFICIK-QWRGUYRKSA-N 1 0 239.319 0.715 20 30 BCEDRO Cc1n[nH]cc1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262489915 135302312 /nfs/dbraw/zinc/30/23/12/135302312.db2.gz UMIOEKXQMALCJI-QMMMGPOBSA-N 1 0 237.307 0.254 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H]1CCC(F)(F)C1 ZINC000262495463 135302358 /nfs/dbraw/zinc/30/23/58/135302358.db2.gz YDPVRZDLQOVLMC-MRVPVSSYSA-N 1 0 235.278 0.973 20 30 BCEDRO C[NH+]=C(NC1CC1)N1CC[C@H](COC)C1 ZINC000262494216 135302375 /nfs/dbraw/zinc/30/23/75/135302375.db2.gz VYDFEGBMDFLNRO-VIFPVBQESA-N 1 0 211.309 0.693 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCc2nccs2)CCO1 ZINC000262493004 135302385 /nfs/dbraw/zinc/30/23/85/135302385.db2.gz VMLGREQOGJJVPH-MRVPVSSYSA-N 1 0 240.332 0.679 20 30 BCEDRO CN(C)C(=[NH+]C[C@@]1(C)CCOC1)N(C)C ZINC000262515938 135303798 /nfs/dbraw/zinc/30/37/98/135303798.db2.gz GELSWZRYSZKRTL-LLVKDONJSA-N 1 0 213.325 0.892 20 30 BCEDRO C[C@@]1(CNC(=[NH2+])N2CCSCC2)CCOC1 ZINC000262519197 135303941 /nfs/dbraw/zinc/30/39/41/135303941.db2.gz HSMAEASNCNOKQN-NSHDSACASA-N 1 0 243.376 0.777 20 30 BCEDRO [NH2+]=C(NCCOC(F)(F)F)N1CCOCC1 ZINC000262526449 135304187 /nfs/dbraw/zinc/30/41/87/135304187.db2.gz OSOQJHOPJXPLKP-UHFFFAOYSA-N 1 0 241.213 0.170 20 30 BCEDRO C=CC1CCN(C(=O)[C@@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262551651 135305938 /nfs/dbraw/zinc/30/59/38/135305938.db2.gz TYAMQRMRZFGYSA-MNOVXSKESA-N 1 0 224.304 0.134 20 30 BCEDRO C=CC1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000262592536 135306847 /nfs/dbraw/zinc/30/68/47/135306847.db2.gz WLDACJMLETXUDK-GFCCVEGCSA-N 1 0 238.331 0.790 20 30 BCEDRO CC(=O)N1CCC[C@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262625038 135309478 /nfs/dbraw/zinc/30/94/78/135309478.db2.gz DGGLODLUJMFQRA-GXSJLCMTSA-N 1 0 238.335 0.182 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)N(C)CC(=O)OCC ZINC000342739308 135309614 /nfs/dbraw/zinc/30/96/14/135309614.db2.gz VFYXEEUKHMPNJL-UHFFFAOYSA-N 1 0 242.319 0.516 20 30 BCEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NCC ZINC000342740104 135310261 /nfs/dbraw/zinc/31/02/61/135310261.db2.gz YUSPYHZSIKKFIC-VIFPVBQESA-N 1 0 227.308 0.729 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@](C)(O)C(F)(F)F)N1 ZINC000262632591 135310478 /nfs/dbraw/zinc/31/04/78/135310478.db2.gz GAPSQQGCJQDOMM-CAHLUQPWSA-N 1 0 225.214 0.237 20 30 BCEDRO CN1CC[NH+]=C1NCCS(=O)(=O)C(C)(C)C ZINC000262655408 135311623 /nfs/dbraw/zinc/31/16/23/135311623.db2.gz LMRAHBNFKZFXAP-UHFFFAOYSA-N 1 0 247.364 0.091 20 30 BCEDRO CN1CC[NH+]=C1NC[C@H]1COC2(CCCC2)O1 ZINC000262661110 135311638 /nfs/dbraw/zinc/31/16/38/135311638.db2.gz MXYSXJOFEWDZJV-JTQLQIEISA-N 1 0 239.319 0.563 20 30 BCEDRO CC(=O)N1CCC(CNC2=[NH+]C[C@H](C)N2)CC1 ZINC000262666235 135311851 /nfs/dbraw/zinc/31/18/51/135311851.db2.gz OWOBVNJHWIPVRS-VIFPVBQESA-N 1 0 238.335 0.182 20 30 BCEDRO CC1(C)[C@H](NC(=[NH2+])NC2CC2)[C@@H]2CCO[C@H]21 ZINC000262665132 135311897 /nfs/dbraw/zinc/31/18/97/135311897.db2.gz NBAXAFHVNUMAIE-IVZWLZJFSA-N 1 0 223.320 0.867 20 30 BCEDRO CO[C@@H]1CCC[C@@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262656353 135311906 /nfs/dbraw/zinc/31/19/06/135311906.db2.gz LSUNRQLKLFGMRF-IVZWLZJFSA-N 1 0 211.309 0.739 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@]2(C)CCCC[C@@H]2O)N1 ZINC000262666547 135312459 /nfs/dbraw/zinc/31/24/59/135312459.db2.gz OXTVCENTHPILJV-SCVCMEIPSA-N 1 0 225.336 0.865 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCN2CC=CCC2)N1 ZINC000262666565 135312479 /nfs/dbraw/zinc/31/24/79/135312479.db2.gz OZDTUZWMIWRFIZ-SNVBAGLBSA-N 1 0 208.309 0.186 20 30 BCEDRO C[C@@H]1C[C@@H](CNC2=[NH+]CCN2C)CCO1 ZINC000262668420 135312505 /nfs/dbraw/zinc/31/25/05/135312505.db2.gz PWAGKQDTGJJXMQ-ZJUUUORDSA-N 1 0 211.309 0.693 20 30 BCEDRO Cc1cccc(NC(=[NH2+])NCC(=O)NCC#N)c1 ZINC000262680745 135312900 /nfs/dbraw/zinc/31/29/00/135312900.db2.gz WCWXMIBAYKGQJU-UHFFFAOYSA-N 1 0 245.286 0.361 20 30 BCEDRO C[C@@H]1CC[C@@H]1NC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262677693 135312952 /nfs/dbraw/zinc/31/29/52/135312952.db2.gz UOONBHXXDWBWCM-BBBLOLIVSA-N 1 0 211.309 0.820 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1ncn(C)n1 ZINC000262684665 135313340 /nfs/dbraw/zinc/31/33/40/135313340.db2.gz XYNIPSHWDRGDOZ-SSDOTTSWSA-N 1 0 210.285 0.018 20 30 BCEDRO CN(C)C(=[NH+]CC1([S@@](C)=O)CCC1)N(C)C ZINC000262697709 135314367 /nfs/dbraw/zinc/31/43/67/135314367.db2.gz FJBBLWIXKQYICI-MRXNPFEDSA-N 1 0 245.392 0.767 20 30 BCEDRO CNC(NCC1(CO)CC2(CCC2)C1)=[NH+]C ZINC000262711255 135314657 /nfs/dbraw/zinc/31/46/57/135314657.db2.gz CQGKTYKCXKWMOM-UHFFFAOYSA-N 1 0 225.336 0.724 20 30 BCEDRO COC(C)(C)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262699181 135315129 /nfs/dbraw/zinc/31/51/29/135315129.db2.gz YJEKOZNCJLBUTG-SECBINFHSA-N 1 0 229.324 0.495 20 30 BCEDRO CNC(NC[C@H]1CSCCS1)=[NH+]C ZINC000262747252 135316775 /nfs/dbraw/zinc/31/67/75/135316775.db2.gz MFNQQTIVRHFGBE-ZETCQYMHSA-N 1 0 219.379 0.630 20 30 BCEDRO CC[C@@H]1C[C@H]1NC(=[NH2+])NC[C@H]1CCCO1 ZINC000262780368 135318001 /nfs/dbraw/zinc/31/80/01/135318001.db2.gz IWYYDSZWYIUHGP-OPRDCNLKSA-N 1 0 211.309 0.868 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1CCC=CO1 ZINC000262805854 135318916 /nfs/dbraw/zinc/31/89/16/135318916.db2.gz NLLSAZMTTICKDC-MNOVXSKESA-N 1 0 239.319 0.762 20 30 BCEDRO C[S@](=O)C1(CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000262796727 135319284 /nfs/dbraw/zinc/31/92/84/135319284.db2.gz PVVXRHITPJDNMD-HNNXBMFYSA-N 1 0 231.365 0.600 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cccn(CC)c1=O ZINC000262819736 135319836 /nfs/dbraw/zinc/31/98/36/135319836.db2.gz PMHFNTGJJSFIJD-UHFFFAOYSA-N 1 0 248.330 0.849 20 30 BCEDRO CCCNC(=[NH2+])NCC1([S@](C)=O)CC1 ZINC000262813202 135320249 /nfs/dbraw/zinc/32/02/49/135320249.db2.gz VVENFZNGEKUXGQ-AWEZNQCLSA-N 1 0 217.338 0.212 20 30 BCEDRO CCCNC(=[NH2+])NCC1([S@](C)=O)CCC1 ZINC000262833397 135320987 /nfs/dbraw/zinc/32/09/87/135320987.db2.gz RXZHPUVMAXLRHM-HNNXBMFYSA-N 1 0 231.365 0.602 20 30 BCEDRO Cn1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)n1 ZINC000262921287 135323947 /nfs/dbraw/zinc/32/39/47/135323947.db2.gz GWGZMWJUZOHWPG-JTQLQIEISA-N 1 0 237.307 0.003 20 30 BCEDRO [NH2+]=C(NCc1cccnn1)NC[C@H]1CCCO1 ZINC000262989442 135325339 /nfs/dbraw/zinc/32/53/39/135325339.db2.gz VHFNZOFCXLKNIY-SNVBAGLBSA-N 1 0 235.291 0.060 20 30 BCEDRO CC(C)[C@@H]1C[C@H]1NC(=[NH2+])N1CCOCC1 ZINC000263055160 135330080 /nfs/dbraw/zinc/33/00/80/135330080.db2.gz DXYITMMBUQEXGO-VHSXEESVSA-N 1 0 211.309 0.678 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCc2cnn(C)n2)C1 ZINC000263138196 135335028 /nfs/dbraw/zinc/33/50/28/135335028.db2.gz IPUIMCAXLVWLDX-VIFPVBQESA-N 1 0 236.323 0.362 20 30 BCEDRO [NH2+]=C(NCCc1cnccn1)NC[C@@H]1CCCO1 ZINC000263159202 135336362 /nfs/dbraw/zinc/33/63/62/135336362.db2.gz OGXQLILMEIPOBM-NSHDSACASA-N 1 0 249.318 0.102 20 30 BCEDRO CO[C@@H]1[C@@H](C)[C@H](NC(=[NH2+])N(C)C)C1(C)C ZINC000263165863 135336542 /nfs/dbraw/zinc/33/65/42/135336542.db2.gz PZZWGQAUETWVQS-XHNCKOQMSA-N 1 0 213.325 0.922 20 30 BCEDRO C[C@@H]1CC[C@H](CNC(=[NH2+])N2CCSCC2)O1 ZINC000263178254 135337790 /nfs/dbraw/zinc/33/77/90/135337790.db2.gz SZOBHPBRBKMYLD-NXEZZACHSA-N 1 0 243.376 0.917 20 30 BCEDRO CC(C)c1nnc(C[NH+]=C(N(C)C)N(C)C)[nH]1 ZINC000263201622 135339641 /nfs/dbraw/zinc/33/96/41/135339641.db2.gz XKDAEMWPMBDMJV-UHFFFAOYSA-N 1 0 238.339 0.907 20 30 BCEDRO C[C@@]1(CNC(=[NH2+])NCC2CCC2)CCC(=O)N1 ZINC000263205517 135339692 /nfs/dbraw/zinc/33/96/92/135339692.db2.gz YDNQXRFCMJXPFM-LBPRGKRZSA-N 1 0 238.335 0.360 20 30 BCEDRO CC[C@@H](C)NC(NCc1nc(C)no1)=[NH+]C ZINC000263243356 135342129 /nfs/dbraw/zinc/34/21/29/135342129.db2.gz MAEFLMVCJHGWQH-SSDOTTSWSA-N 1 0 225.296 0.842 20 30 BCEDRO CN(C)C(=[NH2+])NCc1cn2ccccc2n1 ZINC000263252100 135342546 /nfs/dbraw/zinc/34/25/46/135342546.db2.gz PGDZQEWRORJVIF-UHFFFAOYSA-N 1 0 217.276 0.711 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCN1CCOC[C@@H]1C ZINC000263273801 135343569 /nfs/dbraw/zinc/34/35/69/135343569.db2.gz XRIOKYPVFLEXBJ-QWRGUYRKSA-N 1 0 242.367 0.410 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1c(C)cnn1C ZINC000285911649 135372864 /nfs/dbraw/zinc/37/28/64/135372864.db2.gz KWCGYHSMIYMEBC-SNVBAGLBSA-N 1 0 209.293 0.755 20 30 BCEDRO [NH2+]=C(NCCc1cn[nH]c1)NC1CCCC1 ZINC000290611058 135374555 /nfs/dbraw/zinc/37/45/55/135374555.db2.gz JLTVWYXOVVYNCW-UHFFFAOYSA-N 1 0 221.308 0.799 20 30 BCEDRO CCc1nc(C)c(CNC2=[NH+]C[C@H](C)N2)o1 ZINC000291916869 135375805 /nfs/dbraw/zinc/37/58/05/135375805.db2.gz MUCHKAONJIVWRG-ZETCQYMHSA-N 1 0 222.292 0.983 20 30 BCEDRO C=CCOCC[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000294468792 135377660 /nfs/dbraw/zinc/37/76/60/135377660.db2.gz GRDLSMSAASCWLM-NSHDSACASA-N 1 0 225.292 0.246 20 30 BCEDRO CN(CCOCCC#N)Cc1nccn1C ZINC000293875353 135378377 /nfs/dbraw/zinc/37/83/77/135378377.db2.gz SXFMGIZGULYQJX-UHFFFAOYSA-N 1 0 222.292 0.782 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@@H](C)C(C)(C)O ZINC000295144015 135378931 /nfs/dbraw/zinc/37/89/31/135378931.db2.gz LGMAOVDTFLQHFA-VIFPVBQESA-N 1 0 214.309 0.380 20 30 BCEDRO COC[C@@H]([NH2+]CCOCCC#N)C1CC1 ZINC000339074815 135429779 /nfs/dbraw/zinc/42/97/79/135429779.db2.gz KMXBZOSQKRQYNA-LLVKDONJSA-N 1 0 212.293 0.931 20 30 BCEDRO CCNC(=O)NC[C@@H](O)C[NH+]1CCC(C)CC1 ZINC000330417135 135473657 /nfs/dbraw/zinc/47/36/57/135473657.db2.gz OWCXEUSKGHBHKC-LLVKDONJSA-N 1 0 243.351 0.603 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CC[NH2+][C@@H](C)C1 ZINC000088060308 135515443 /nfs/dbraw/zinc/51/54/43/135515443.db2.gz MKWDAEGPMPKDQO-LBPRGKRZSA-N 1 0 237.347 0.481 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)C1CC([NH3+])C1 ZINC000294852231 135680228 /nfs/dbraw/zinc/68/02/28/135680228.db2.gz NNTIVALWXWOWFY-KPPDAEKUSA-N 1 0 226.320 0.916 20 30 BCEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000347758862 136011904 /nfs/dbraw/zinc/01/19/04/136011904.db2.gz YYEOAHHIVYTSLJ-WDEREUQCSA-N 1 0 223.320 0.946 20 30 BCEDRO C=CCOCCCN1CCSC[C@H]1C(N)=O ZINC000348029537 136027293 /nfs/dbraw/zinc/02/72/93/136027293.db2.gz FOIQCQQNWBXEBY-JTQLQIEISA-N 1 0 244.360 0.482 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000348042171 136029014 /nfs/dbraw/zinc/02/90/14/136029014.db2.gz ZJPVTYRFFCJDLF-CHWSQXEVSA-N 1 0 240.347 0.594 20 30 BCEDRO C=CCOCCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348044674 136029461 /nfs/dbraw/zinc/02/94/61/136029461.db2.gz BMWSRULGUOSOKY-ZDUSSCGKSA-N 1 0 240.347 0.596 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000348049601 136030588 /nfs/dbraw/zinc/03/05/88/136030588.db2.gz PDBXYPGODJGYNX-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N[C@@H](C)c1nc(C)no1 ZINC000348075674 136033995 /nfs/dbraw/zinc/03/39/95/136033995.db2.gz IIKAGHCWXABABD-SFYZADRCSA-N 1 0 238.291 0.719 20 30 BCEDRO C=CCOCCC[N@@H+]1CCCNC(=O)[C@H]1C ZINC000348183271 136043758 /nfs/dbraw/zinc/04/37/58/136043758.db2.gz UNUBHBWYXIJZKZ-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCNC(=O)CN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000348217321 136046857 /nfs/dbraw/zinc/04/68/57/136046857.db2.gz PMZOGECDRDCCFR-GFCCVEGCSA-N 1 0 237.347 0.457 20 30 BCEDRO C[NH+](C)[C@H]1CCC[C@H](NC(=O)CC#N)C1 ZINC000335327902 136052786 /nfs/dbraw/zinc/05/27/86/136052786.db2.gz HGGKDWWUQNKCAQ-UWVGGRQHSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCN1CC[NH+](C2CCOCC2)CC1 ZINC000335371541 136083399 /nfs/dbraw/zinc/08/33/99/136083399.db2.gz CNWRTIANBGQJRY-UHFFFAOYSA-N 1 0 210.321 0.969 20 30 BCEDRO Cn1cc(C[N@H+](C)[C@H]2COC[C@@H]2O)cc1C#N ZINC000348637676 136114660 /nfs/dbraw/zinc/11/46/60/136114660.db2.gz ANTFQMOQTUXTFW-RYUDHWBXSA-N 1 0 235.287 0.088 20 30 BCEDRO C=CCCN(C)C(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000647597919 397791452 /nfs/dbraw/zinc/79/14/52/397791452.db2.gz YCFBSCVGYJEXIR-VHSXEESVSA-N 1 0 241.335 0.263 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccoc1 ZINC000170904533 397825467 /nfs/dbraw/zinc/82/54/67/397825467.db2.gz KDZGQMLPRKSRQO-MRVPVSSYSA-N 1 0 211.265 0.719 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CCc2cccnc2)C1 ZINC000592150213 397943948 /nfs/dbraw/zinc/94/39/48/397943948.db2.gz BAEGZNUEAYVXPV-CYBMUJFWSA-N 1 0 231.299 0.975 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000390616156 397897099 /nfs/dbraw/zinc/89/70/99/397897099.db2.gz CXVVIJYWPCFSTC-GFCCVEGCSA-N 1 0 228.336 0.234 20 30 BCEDRO C=CCC[NH+]1CCC(NC(=O)NC)CC1 ZINC000649630305 398011166 /nfs/dbraw/zinc/01/11/66/398011166.db2.gz LJLVLTXTOHEIIR-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000648122476 398017386 /nfs/dbraw/zinc/01/73/86/398017386.db2.gz YVQGWKZNDLLIOS-UWVGGRQHSA-N 1 0 249.318 0.464 20 30 BCEDRO C[C@H](C(=O)N[C@@H](C#N)CO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000597746011 398017396 /nfs/dbraw/zinc/01/73/96/398017396.db2.gz GYWZLBIKTYCREC-YTWAJWBKSA-N 1 0 239.319 0.248 20 30 BCEDRO CC[N@H+](CCCO)C[C@@H](O)CC(C)(C)C#N ZINC000598595075 398032099 /nfs/dbraw/zinc/03/20/99/398032099.db2.gz MZFJWKGHHNPVDD-NSHDSACASA-N 1 0 228.336 0.991 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](CO)CC1 ZINC000491118787 398032808 /nfs/dbraw/zinc/03/28/08/398032808.db2.gz FVKPSJFVZFLIRU-LBPRGKRZSA-N 1 0 238.331 0.220 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(C)nc1 ZINC000491229166 398033537 /nfs/dbraw/zinc/03/35/37/398033537.db2.gz FIDWDUUFPWEZDZ-UHFFFAOYSA-N 1 0 231.299 0.619 20 30 BCEDRO C=CCCCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687309 398036439 /nfs/dbraw/zinc/03/64/39/398036439.db2.gz MFWJZAQQAADZSB-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCCC[NH2+]C ZINC000491305354 398037839 /nfs/dbraw/zinc/03/78/39/398037839.db2.gz IPZUZXLXMFHJCF-UHFFFAOYSA-N 1 0 221.304 0.264 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C(=O)NCCC ZINC000451597925 397977953 /nfs/dbraw/zinc/97/79/53/397977953.db2.gz IYZMEDUKWXLYRU-AXFHLTTASA-N 1 0 226.320 0.834 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N[C@H](C)CC ZINC000451597921 397977970 /nfs/dbraw/zinc/97/79/70/397977970.db2.gz IYHRCVLQNNFDBM-MXWKQRLJSA-N 1 0 226.320 0.834 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452133989 397985267 /nfs/dbraw/zinc/98/52/67/397985267.db2.gz TWDXWMUQORGODD-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@@H]1C#N ZINC000259691092 397987237 /nfs/dbraw/zinc/98/72/37/397987237.db2.gz AVABFTZIASWABI-GMTAPVOTSA-N 1 0 221.304 0.889 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000491503147 398043757 /nfs/dbraw/zinc/04/37/57/398043757.db2.gz BDYBPQJMKYSYAG-WDEREUQCSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)[C@@H](O)C(C)C ZINC000491674919 398059811 /nfs/dbraw/zinc/05/98/11/398059811.db2.gz LFDJFLYLZHYAMM-YPMHNXCESA-N 1 0 240.347 0.511 20 30 BCEDRO C#CCN(C)CCC[NH2+]C1CCN(C)CC1 ZINC000392830537 398060256 /nfs/dbraw/zinc/06/02/56/398060256.db2.gz CASVAZABXPWEOC-UHFFFAOYSA-N 1 0 223.364 0.625 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000491766063 398065839 /nfs/dbraw/zinc/06/58/39/398065839.db2.gz DCHAYACFRSJHAP-AEJSXWLSSA-N 1 0 211.309 0.775 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000491766064 398066164 /nfs/dbraw/zinc/06/61/64/398066164.db2.gz DCHAYACFRSJHAP-BBBLOLIVSA-N 1 0 211.309 0.775 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000491766067 398066235 /nfs/dbraw/zinc/06/62/35/398066235.db2.gz DCHAYACFRSJHAP-UTLUCORTSA-N 1 0 211.309 0.775 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000491767868 398066875 /nfs/dbraw/zinc/06/68/75/398066875.db2.gz HMYFUJIQRLMRNG-WPRPVWTQSA-N 1 0 209.293 0.387 20 30 BCEDRO C#C[C@H](CC)NC(=[NH2+])NCCCOCC ZINC000491768228 398066978 /nfs/dbraw/zinc/06/69/78/398066978.db2.gz HRYZXLCFXMIOBR-SNVBAGLBSA-N 1 0 211.309 0.939 20 30 BCEDRO C[C@H](C(=O)NCC1(C#N)CCC1)[NH+](C)C ZINC000602166397 398068465 /nfs/dbraw/zinc/06/84/65/398068465.db2.gz WUVKGODHBWTZHW-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000491793519 398071274 /nfs/dbraw/zinc/07/12/74/398071274.db2.gz LWDZOISAOXWFIQ-LPEHRKFASA-N 1 0 211.309 0.823 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOc1ccccc1 ZINC000491796283 398073199 /nfs/dbraw/zinc/07/31/99/398073199.db2.gz ZEJCEWMHWUBPMJ-UHFFFAOYSA-N 1 0 246.310 0.795 20 30 BCEDRO C=CCOCC[N@H+]1C[C@H](O)C[C@H]1COC ZINC000649744690 398082352 /nfs/dbraw/zinc/08/23/52/398082352.db2.gz KSNDHRBWFPKVTL-WDEREUQCSA-N 1 0 215.293 0.271 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649762657 398089753 /nfs/dbraw/zinc/08/97/53/398089753.db2.gz SOLZZCRLJRYHKT-GRYCIOLGSA-N 1 0 229.320 0.395 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@]1(CC)CO ZINC000491669479 398057353 /nfs/dbraw/zinc/05/73/53/398057353.db2.gz NTISCIGROYTSHO-CYBMUJFWSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@]1(CC)CO ZINC000491669493 398057689 /nfs/dbraw/zinc/05/76/89/398057689.db2.gz NTISCIGROYTSHO-ZDUSSCGKSA-N 1 0 238.331 0.363 20 30 BCEDRO C=CCOCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000643479664 398106845 /nfs/dbraw/zinc/10/68/45/398106845.db2.gz YZEVEVBADXNOFK-CHWSQXEVSA-N 1 0 240.347 0.546 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000192233517 398107015 /nfs/dbraw/zinc/10/70/15/398107015.db2.gz DARUNPKLXIPJOK-LLVKDONJSA-N 1 0 227.304 0.108 20 30 BCEDRO CC#CCCNC(=O)N[C@H](C)C[NH+](C)C ZINC000355181133 398111041 /nfs/dbraw/zinc/11/10/41/398111041.db2.gz QUZNYKUPXQOIJA-SNVBAGLBSA-N 1 0 211.309 0.649 20 30 BCEDRO CC#CCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000355181132 398111221 /nfs/dbraw/zinc/11/12/21/398111221.db2.gz QUZNYKUPXQOIJA-JTQLQIEISA-N 1 0 211.309 0.649 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000680387322 487579901 /nfs/dbraw/zinc/57/99/01/487579901.db2.gz OZEAPBFQHMUQSQ-WDEREUQCSA-N 1 0 241.335 0.317 20 30 BCEDRO C#CCCC[NH+]1CCC(C(=O)NC)CC1 ZINC000161081345 166128020 /nfs/dbraw/zinc/12/80/20/166128020.db2.gz HSKJGZKYHHYAJU-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000271054808 166130941 /nfs/dbraw/zinc/13/09/41/166130941.db2.gz QVHZVWKDHSELSJ-LLVKDONJSA-N 1 0 208.305 0.987 20 30 BCEDRO C#CCCCN1CCO[C@H](CNC(C)=O)C1 ZINC000271027024 166131377 /nfs/dbraw/zinc/13/13/77/166131377.db2.gz KCIPAIAOKKQHRT-GFCCVEGCSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCC[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000269900179 166136353 /nfs/dbraw/zinc/13/63/53/166136353.db2.gz ODCQPEIUTUZFFZ-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2ccon2)CC1 ZINC000268712124 166137824 /nfs/dbraw/zinc/13/78/24/166137824.db2.gz MQTOHHNLQCOUBE-UHFFFAOYSA-N 1 0 219.288 0.816 20 30 BCEDRO C=CCOCCNC(=O)N(C)CCC[NH+](C)C ZINC000680517732 487610812 /nfs/dbraw/zinc/61/08/12/487610812.db2.gz YJQVIXRQJBYGAT-UHFFFAOYSA-N 1 0 243.351 0.782 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000309069214 410215449 /nfs/dbraw/zinc/21/54/49/410215449.db2.gz BDEVIWZBZQHYKR-ONGXEEELSA-N 1 0 212.293 0.303 20 30 BCEDRO CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000661155656 410309416 /nfs/dbraw/zinc/30/94/16/410309416.db2.gz VIMWIYHAXUIAPF-NEPJUHHUSA-N 1 0 224.304 0.952 20 30 BCEDRO C=CCN(Cc1cn(C)nn1)[C@@H](C)COC ZINC000661241407 410405395 /nfs/dbraw/zinc/40/53/95/410405395.db2.gz XLOOTKVJKCUFFS-JTQLQIEISA-N 1 0 224.308 0.838 20 30 BCEDRO C#CC[C@@H]([NH2+]CC(N)=O)c1ccccc1 ZINC000271703426 166204881 /nfs/dbraw/zinc/20/48/81/166204881.db2.gz NALNELPRQZRLEI-LLVKDONJSA-N 1 0 202.257 0.826 20 30 BCEDRO C=CCC[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000276208664 166258308 /nfs/dbraw/zinc/25/83/08/166258308.db2.gz ZXJHLNCNNBTWPC-UHFFFAOYSA-N 1 0 237.303 0.092 20 30 BCEDRO C=CCC[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000338541812 166263416 /nfs/dbraw/zinc/26/34/16/166263416.db2.gz VWSLYPLWDUIGLT-OLZOCXBDSA-N 1 0 243.347 0.908 20 30 BCEDRO C=CCC[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000275046034 166264751 /nfs/dbraw/zinc/26/47/51/166264751.db2.gz ZDQJJQWJDLKJBX-UHFFFAOYSA-N 1 0 205.261 0.704 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000338541815 166265141 /nfs/dbraw/zinc/26/51/41/166265141.db2.gz VWSLYPLWDUIGLT-STQMWFEESA-N 1 0 243.347 0.908 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274848834 166272713 /nfs/dbraw/zinc/27/27/13/166272713.db2.gz YAQBKLATRKVPMJ-WDEREUQCSA-N 1 0 242.319 0.154 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@H](C)[NH2+]C ZINC000261540801 166274366 /nfs/dbraw/zinc/27/43/66/166274366.db2.gz FGDSOOABHPJDEO-VHSXEESVSA-N 1 0 214.309 0.692 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+](CC(N)=O)C(C)(C)C ZINC000268507248 166297178 /nfs/dbraw/zinc/29/71/78/166297178.db2.gz VDJWEXZIBPYCBQ-SNVBAGLBSA-N 1 0 228.336 0.899 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000268575725 166302727 /nfs/dbraw/zinc/30/27/27/166302727.db2.gz SBMUHTHFVRVZBX-QWRGUYRKSA-N 1 0 227.304 0.808 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270657519 166303471 /nfs/dbraw/zinc/30/34/71/166303471.db2.gz JSIOVOASFZZEPA-ZJUUUORDSA-N 1 0 227.308 0.056 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1C(N)=O ZINC000268646677 166303578 /nfs/dbraw/zinc/30/35/78/166303578.db2.gz OHDUJPKKRVZZNR-WDEREUQCSA-N 1 0 226.320 0.653 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)CCCC(=O)NC ZINC000155309620 166304092 /nfs/dbraw/zinc/30/40/92/166304092.db2.gz SIZJHVCXIROOAI-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCN(CC(F)(F)F)C(=O)C[NH2+]C ZINC000261528281 166326393 /nfs/dbraw/zinc/32/63/93/166326393.db2.gz LSKKUVGVBQQETE-UHFFFAOYSA-N 1 0 210.199 0.783 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CCC[C@H]([NH3+])C1 ZINC000041029035 166327610 /nfs/dbraw/zinc/32/76/10/166327610.db2.gz UXIFUCCEJYFQJC-LBPRGKRZSA-N 1 0 237.347 0.610 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)COCC)CC1 ZINC000171725847 166353018 /nfs/dbraw/zinc/35/30/18/166353018.db2.gz IIOSIVDWDWJZHT-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)O)CC1 ZINC000276320147 166353981 /nfs/dbraw/zinc/35/39/81/166353981.db2.gz GYCBGLWYJMWITH-VIFPVBQESA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000266912643 166366302 /nfs/dbraw/zinc/36/63/02/166366302.db2.gz JLRYLEXAXBGIPW-NSHDSACASA-N 1 0 248.330 0.891 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000272103070 166370520 /nfs/dbraw/zinc/37/05/20/166370520.db2.gz LYMJYNBTBDVOSJ-LBPRGKRZSA-N 1 0 234.299 0.612 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1ccc(F)nc1C ZINC000278842608 166370708 /nfs/dbraw/zinc/37/07/08/166370708.db2.gz WFWFCZDIWIWJQP-UHFFFAOYSA-N 1 0 237.278 0.921 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1OC ZINC000275253340 166370835 /nfs/dbraw/zinc/37/08/35/166370835.db2.gz QNFWWCGBCHRUCM-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCNC(=O)C[NH2+]CC1=CCCOC1 ZINC000336754292 166370958 /nfs/dbraw/zinc/37/09/58/166370958.db2.gz IEEOZDZIASVNEF-UHFFFAOYSA-N 1 0 210.277 0.225 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H](C)C1 ZINC000016446165 166376871 /nfs/dbraw/zinc/37/68/71/166376871.db2.gz OSKUJPRYXCMTDO-JTQLQIEISA-N 1 0 239.319 0.730 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000273319775 166382046 /nfs/dbraw/zinc/38/20/46/166382046.db2.gz QUHRMMQAEOLJRC-NXEZZACHSA-N 1 0 236.319 0.761 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](CC)CC(C)(C)O ZINC000086274779 166387270 /nfs/dbraw/zinc/38/72/70/166387270.db2.gz ZHXZHLYXVKUKQU-JTQLQIEISA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000191710375 166388378 /nfs/dbraw/zinc/38/83/78/166388378.db2.gz AAFYNHWVEDQCJZ-LPEHRKFASA-N 1 0 214.309 0.690 20 30 BCEDRO C=CCNC(=O)c1ccn([C@H]2CCC[NH2+]C2)n1 ZINC000262751407 166393979 /nfs/dbraw/zinc/39/39/79/166393979.db2.gz KLHPACMBWZWCDT-JTQLQIEISA-N 1 0 234.303 0.723 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000668830100 487617118 /nfs/dbraw/zinc/61/71/18/487617118.db2.gz VFQVSSKHBMSUBR-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CC[NH2+]C1CC1 ZINC000655480804 410723746 /nfs/dbraw/zinc/72/37/46/410723746.db2.gz TVFUCVNXTRBHBH-JQWIXIFHSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000651105555 410811559 /nfs/dbraw/zinc/81/15/59/410811559.db2.gz NXAVBDXJUMLTOB-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO CC(C)OC[C@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000353039848 167265500 /nfs/dbraw/zinc/26/55/00/167265500.db2.gz RENJUHKMTJEALY-JTQLQIEISA-N 1 0 237.307 0.553 20 30 BCEDRO C=C(C)CC[NH2+]C1(C(N)=O)CCOCC1 ZINC000661595220 410983160 /nfs/dbraw/zinc/98/31/60/410983160.db2.gz LSMLEZQPRDMWLY-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620561 411068931 /nfs/dbraw/zinc/06/89/31/411068931.db2.gz BDJMCWJGMOPAEH-WHOHXGKFSA-N 1 0 213.321 0.872 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC(C)([NH3+])CC1 ZINC000309359551 411107860 /nfs/dbraw/zinc/10/78/60/411107860.db2.gz AFBVLEANWVKKLU-UHFFFAOYSA-N 1 0 232.349 0.706 20 30 BCEDRO COCC#CC[N@@H+]1CCCCC[C@@H]1CO ZINC000653783269 411170867 /nfs/dbraw/zinc/17/08/67/411170867.db2.gz HFRVJNXLJKGGMT-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO N#Cc1cccnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405379439 411172496 /nfs/dbraw/zinc/17/24/96/411172496.db2.gz IQVZXEGHKTTYKZ-NWDGAFQWSA-N 1 0 244.298 0.208 20 30 BCEDRO C=C(C)CC[NH+]1CCN(c2nncn2C)CC1 ZINC000653824106 411193824 /nfs/dbraw/zinc/19/38/24/411193824.db2.gz TYQUADLUKXCABE-UHFFFAOYSA-N 1 0 235.335 0.903 20 30 BCEDRO COCCC[NH+]1CCN(CCC#N)CC1 ZINC000049815032 411245354 /nfs/dbraw/zinc/24/53/54/411245354.db2.gz ZAGYGVSRKIXBBY-UHFFFAOYSA-N 1 0 211.309 0.554 20 30 BCEDRO C=C(C)CCNC(=O)NCCOCCC[NH3+] ZINC000627050248 411205179 /nfs/dbraw/zinc/20/51/79/411205179.db2.gz GUPZBTYTPRRODQ-UHFFFAOYSA-N 1 0 229.324 0.617 20 30 BCEDRO C=CCn1cc(C(=O)N2CCC[C@@H]([NH3+])[C@H]2C)nn1 ZINC000656362751 411233424 /nfs/dbraw/zinc/23/34/24/411233424.db2.gz BKYLNLKWVFIKAR-NXEZZACHSA-N 1 0 249.318 0.416 20 30 BCEDRO C=C(CC)Cn1cc(CC[C@H](O)C[NH3+])nn1 ZINC000656453411 411276033 /nfs/dbraw/zinc/27/60/33/411276033.db2.gz KCWGYVGJIHZKGR-NSHDSACASA-N 1 0 224.308 0.497 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CC[C@@]3(O)C[C@H]3C2)C1=O ZINC000661723816 411291841 /nfs/dbraw/zinc/29/18/41/411291841.db2.gz VJUDBEHVYHLYKH-DMDPSCGWSA-N 1 0 236.315 0.230 20 30 BCEDRO C=CCCS(=O)(=O)NCC[C@@H]([NH3+])C(C)C ZINC000658406686 411352108 /nfs/dbraw/zinc/35/21/08/411352108.db2.gz QJGSSLCSMYGKIO-SNVBAGLBSA-N 1 0 234.365 0.855 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000304213807 411354051 /nfs/dbraw/zinc/35/40/51/411354051.db2.gz FTKPHKBBSATHRK-NSHDSACASA-N 1 0 225.292 0.036 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc(OC)nc1C ZINC000662168918 411373622 /nfs/dbraw/zinc/37/36/22/411373622.db2.gz ZIRJIHRCVIQSOG-SNVBAGLBSA-N 1 0 223.276 0.430 20 30 BCEDRO C=CCN(C(=O)[C@H](C)C[NH3+])[C@@H](C)COC ZINC000659338759 411366155 /nfs/dbraw/zinc/36/61/55/411366155.db2.gz AOIMDFOVRXAYAD-ZJUUUORDSA-N 1 0 214.309 0.631 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCc1ccnn1CC ZINC000662168289 411370728 /nfs/dbraw/zinc/37/07/28/411370728.db2.gz AINYYUXGQKBLPQ-SNVBAGLBSA-N 1 0 209.293 0.582 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000662167356 411370845 /nfs/dbraw/zinc/37/08/45/411370845.db2.gz AXNNZJLUBCHBPT-IJLUTSLNSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NC(C)(C)C ZINC000662166253 411371062 /nfs/dbraw/zinc/37/10/62/411371062.db2.gz XMJYXGSFWWWIMK-DTWKUNHWSA-N 1 0 214.309 0.426 20 30 BCEDRO C=CCOCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000656709137 411335903 /nfs/dbraw/zinc/33/59/03/411335903.db2.gz NHSVUSQBVPWWQO-LBPRGKRZSA-N 1 0 239.319 0.426 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCN([C@@H]2CCOC2)CC1 ZINC000658334673 411343468 /nfs/dbraw/zinc/34/34/68/411343468.db2.gz RLHJGJGRZBIMLI-DGCLKSJQSA-N 1 0 240.347 0.376 20 30 BCEDRO CC1(C)[C@@H](O)C[C@@H]1NC(=[NH2+])N1CCSCC1 ZINC000186873659 168000301 /nfs/dbraw/zinc/00/03/01/168000301.db2.gz UJIXBIVBPAGCLW-IUCAKERBSA-N 1 0 243.376 0.509 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000659359073 411375459 /nfs/dbraw/zinc/37/54/59/411375459.db2.gz OLZFYAKDBDYUPM-JTQLQIEISA-N 1 0 226.320 0.693 20 30 BCEDRO CC1CC[NH+](CCn2cnc(C#N)n2)CC1 ZINC000154224247 168183237 /nfs/dbraw/zinc/18/32/37/168183237.db2.gz FAUSZMCEGUWGDY-UHFFFAOYSA-N 1 0 219.292 0.882 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@H](O)CC(=O)OCC ZINC000382550937 411395728 /nfs/dbraw/zinc/39/57/28/411395728.db2.gz UXDPXLLJIDLJJC-SNVBAGLBSA-N 1 0 215.293 0.808 20 30 BCEDRO C=CCN(C(=O)C[NH2+]C1CC1)[C@@H](C)COC ZINC000659338914 411398169 /nfs/dbraw/zinc/39/81/69/411398169.db2.gz BXLTVKZCSLDSJH-JTQLQIEISA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCN(C(=O)[C@H](C)[NH2+]C)[C@@H](C)COC ZINC000659340765 411400140 /nfs/dbraw/zinc/40/01/40/411400140.db2.gz XLLVIYFDWBTRPG-UWVGGRQHSA-N 1 0 214.309 0.644 20 30 BCEDRO C=CCOCCCNC(=O)[C@H](C)[NH2+]C ZINC000659359803 411401451 /nfs/dbraw/zinc/40/14/51/411401451.db2.gz YWUBHXLJUXMLKV-VIFPVBQESA-N 1 0 200.282 0.303 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H](C)C[NH3+] ZINC000659359213 411401866 /nfs/dbraw/zinc/40/18/66/411401866.db2.gz QGKMOWRIXDIQJL-VIFPVBQESA-N 1 0 200.282 0.290 20 30 BCEDRO C=CCOCCCNC(=O)c1ccnc(C[NH3+])c1 ZINC000659359177 411402010 /nfs/dbraw/zinc/40/20/10/411402010.db2.gz PIQKZINVZDYOHC-UHFFFAOYSA-N 1 0 249.314 0.863 20 30 BCEDRO C=CCCNS(=O)(=O)CC[NH+](CC)CC ZINC000657077452 411403525 /nfs/dbraw/zinc/40/35/25/411403525.db2.gz RNGSYMSBMUZZKO-UHFFFAOYSA-N 1 0 234.365 0.824 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)CC(C)(C)[NH3+] ZINC000659502260 411423178 /nfs/dbraw/zinc/42/31/78/411423178.db2.gz UKVRLVIHKQNHOL-ZJUUUORDSA-N 1 0 241.335 0.709 20 30 BCEDRO C=CCCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000659512940 411425224 /nfs/dbraw/zinc/42/52/24/411425224.db2.gz FGNAVAVKXJBDLT-JTQLQIEISA-N 1 0 211.309 0.861 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](c2nccn2C)C1 ZINC000653590498 411425739 /nfs/dbraw/zinc/42/57/39/411425739.db2.gz FKBGQSMKTYFEMF-GFCCVEGCSA-N 1 0 233.315 0.859 20 30 BCEDRO C=CCN(C(=O)NC[C@@H](C)[NH3+])[C@@H](C)COC ZINC000659538799 411432480 /nfs/dbraw/zinc/43/24/80/411432480.db2.gz PMXLVSYPKIMITM-ZJUUUORDSA-N 1 0 229.324 0.566 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000659561888 411436031 /nfs/dbraw/zinc/43/60/31/411436031.db2.gz CCLSYWIWZKUGHU-MNOVXSKESA-N 1 0 223.320 0.956 20 30 BCEDRO C=CCCNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000659563211 411436917 /nfs/dbraw/zinc/43/69/17/411436917.db2.gz RYBQMAWSPKKOSK-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCOCCCNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000659596998 411440088 /nfs/dbraw/zinc/44/00/88/411440088.db2.gz NFGKOGRXPVIKMK-GHMZBOCLSA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCOCCNC(=O)N1CCC(C)([NH3+])CC1 ZINC000659611023 411440117 /nfs/dbraw/zinc/44/01/17/411440117.db2.gz OQTILFKSMLYZIG-UHFFFAOYSA-N 1 0 241.335 0.712 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000659612335 411441298 /nfs/dbraw/zinc/44/12/98/411441298.db2.gz XEVAGPBTMNSNPC-QWRGUYRKSA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCOCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000659610090 411441302 /nfs/dbraw/zinc/44/13/02/411441302.db2.gz KNUXXHLHOCPXBY-VIFPVBQESA-N 1 0 215.297 0.178 20 30 BCEDRO C=CCCN(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614728 411442436 /nfs/dbraw/zinc/44/24/36/411442436.db2.gz PZWHDNDNESKMTB-UHFFFAOYSA-N 1 0 223.320 0.956 20 30 BCEDRO C=C(C)CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659614754 411442537 /nfs/dbraw/zinc/44/25/37/411442537.db2.gz AQNIZXOZIXQVAG-UHFFFAOYSA-N 1 0 209.293 0.614 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659619072 411442646 /nfs/dbraw/zinc/44/26/46/411442646.db2.gz HEERGDQCVZLYLH-WDEREUQCSA-N 1 0 243.351 0.596 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)N[C@H](C)C[NH2+]C ZINC000659638112 411445348 /nfs/dbraw/zinc/44/53/48/411445348.db2.gz REQRPYUSBGYIQM-ZJUUUORDSA-N 1 0 229.324 0.078 20 30 BCEDRO C=CCN(C(=O)NCC[NH2+]C)[C@@H](C)COC ZINC000659515777 411469425 /nfs/dbraw/zinc/46/94/25/411469425.db2.gz XGELHQNHWSSPBT-JTQLQIEISA-N 1 0 229.324 0.438 20 30 BCEDRO C=CCOCCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000659516184 411470031 /nfs/dbraw/zinc/47/00/31/411470031.db2.gz GNMNDEBLRYKCCX-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCOCCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000659516029 411470046 /nfs/dbraw/zinc/47/00/46/411470046.db2.gz NOQMXKLJLAMOTJ-JTQLQIEISA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@H](O)C(C)C)nn1 ZINC000657364864 411481357 /nfs/dbraw/zinc/48/13/57/411481357.db2.gz BAWPDCAVIUKCAG-LBPRGKRZSA-N 1 0 238.335 0.961 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@@H](O)C(C)C)nn1 ZINC000657364863 411481499 /nfs/dbraw/zinc/48/14/99/411481499.db2.gz BAWPDCAVIUKCAG-GFCCVEGCSA-N 1 0 238.335 0.961 20 30 BCEDRO C=CCN(C(=O)NC[C@@H](C)C[NH3+])[C@@H](C)COC ZINC000659525401 411483352 /nfs/dbraw/zinc/48/33/52/411483352.db2.gz FUTDQYKPNCVOIC-QWRGUYRKSA-N 1 0 243.351 0.814 20 30 BCEDRO C=CCCS(=O)(=O)N1CC2CC1(C[NH3+])C2 ZINC000658395275 411486170 /nfs/dbraw/zinc/48/61/70/411486170.db2.gz AKLJEWGGAPPAIX-UHFFFAOYSA-N 1 0 230.333 0.315 20 30 BCEDRO Cn1cc(C[NH2+]CC2(O)CCC2)cc1C#N ZINC000232316052 411494673 /nfs/dbraw/zinc/49/46/73/411494673.db2.gz BBLXXOSVUOCINX-UHFFFAOYSA-N 1 0 219.288 0.901 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@H](O)CC)nn1 ZINC000657493730 411534015 /nfs/dbraw/zinc/53/40/15/411534015.db2.gz IRELGGGHQYOULM-LLVKDONJSA-N 1 0 224.308 0.715 20 30 BCEDRO C=CCCn1cc(C[NH2+]CC(C)(C)CO)nn1 ZINC000657411781 411498199 /nfs/dbraw/zinc/49/81/99/411498199.db2.gz XHLFWIIJMYWBIL-UHFFFAOYSA-N 1 0 238.335 0.962 20 30 BCEDRO C=CCCn1cc(C[NH2+]CCN2CCC2)nn1 ZINC000657415740 411499639 /nfs/dbraw/zinc/49/96/39/411499639.db2.gz MOPIGOQCDVOLIB-UHFFFAOYSA-N 1 0 235.335 0.650 20 30 BCEDRO C=CCN(C(=O)NC/C=C/C[NH3+])[C@@H](C)COC ZINC000659544680 411513047 /nfs/dbraw/zinc/51/30/47/411513047.db2.gz VWAGDHBHJRSEGL-QRGHLMKCSA-N 1 0 241.335 0.734 20 30 BCEDRO C=CCN(C(=O)NC[C@@H]([NH3+])CC)[C@@H](C)COC ZINC000659547133 411516545 /nfs/dbraw/zinc/51/65/45/411516545.db2.gz BDQHBGREBZGKPN-QWRGUYRKSA-N 1 0 243.351 0.956 20 30 BCEDRO C=CCN(CCOC)C[C@H](O)C[N@H+](C)C(C)C ZINC000660404260 411465343 /nfs/dbraw/zinc/46/53/43/411465343.db2.gz XDQGYPFQQWSGRU-CYBMUJFWSA-N 1 0 244.379 0.822 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000660187268 411552569 /nfs/dbraw/zinc/55/25/69/411552569.db2.gz CZIBUZGYRTWYAK-LLVKDONJSA-N 1 0 246.376 0.822 20 30 BCEDRO C=CCOCCC[NH2+][C@@H]1CCN(CCOC)C1 ZINC000657658509 411572546 /nfs/dbraw/zinc/57/25/46/411572546.db2.gz ZYAYDJKLOPEHCQ-CYBMUJFWSA-N 1 0 242.363 0.889 20 30 BCEDRO C=CCOCC[NH2+]Cc1c(C)nnn1CC ZINC000657764773 411592693 /nfs/dbraw/zinc/59/26/93/411592693.db2.gz STBSQEXSCGIYIL-UHFFFAOYSA-N 1 0 224.308 0.899 20 30 BCEDRO C=CCCNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000660640450 411610873 /nfs/dbraw/zinc/61/08/73/411610873.db2.gz XDXULIIDGOMEMK-NSHDSACASA-N 1 0 240.351 0.108 20 30 BCEDRO CC#CCN(C)C[C@H](O)C[N@H+](C)C(C)C ZINC000660646291 411612055 /nfs/dbraw/zinc/61/20/55/411612055.db2.gz HTOLOJQKUBMBGO-LBPRGKRZSA-N 1 0 212.337 0.643 20 30 BCEDRO C=CCCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000660704196 411618267 /nfs/dbraw/zinc/61/82/67/411618267.db2.gz LNYBSGOHQPDLAJ-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO Cc1ccc(N[C@H]2CCC[NH2+]C2)nc1C#N ZINC000591424178 411693602 /nfs/dbraw/zinc/69/36/02/411693602.db2.gz WQWOYEQIIBCLAT-JTQLQIEISA-N 1 0 216.288 1.426 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661146416 411718624 /nfs/dbraw/zinc/71/86/24/411718624.db2.gz SQCDQWMENRPBNH-VXGBXAGGSA-N 1 0 236.319 0.537 20 30 BCEDRO C=CC[N@@H+](CCOCCO)[C@@H](C)COC ZINC000661238899 411738925 /nfs/dbraw/zinc/73/89/25/411738925.db2.gz HFAYLJVHJCCSAU-NSHDSACASA-N 1 0 217.309 0.518 20 30 BCEDRO C=CCN(C[C@H](O)C[N@@H+](C)CC)[C@@H](C)COC ZINC000661239768 411739116 /nfs/dbraw/zinc/73/91/16/411739116.db2.gz JBPVWOLAELJWJV-QWHCGFSZSA-N 1 0 244.379 0.822 20 30 BCEDRO C=CC[N@@H+](CCN1CCNC1=O)[C@H](C)COC ZINC000661240598 411740815 /nfs/dbraw/zinc/74/08/15/411740815.db2.gz OXKHNVJGEUWSFF-LLVKDONJSA-N 1 0 241.335 0.535 20 30 BCEDRO CC[C@H](C(=O)Nc1n[nH]cc1C#N)[NH+](C)C ZINC000601639731 411744867 /nfs/dbraw/zinc/74/48/67/411744867.db2.gz RVWKAQRQQVYKBU-MRVPVSSYSA-N 1 0 221.264 0.560 20 30 BCEDRO CC[C@H]1[NH2+]CC[C@@H]1C(=O)Nc1n[nH]cc1C#N ZINC000583629584 411755456 /nfs/dbraw/zinc/75/54/56/411755456.db2.gz OUTFQPDYLAQAKV-DTWKUNHWSA-N 1 0 233.275 0.608 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000661393288 411767443 /nfs/dbraw/zinc/76/74/43/411767443.db2.gz JROMKKNPGAFCAV-STQMWFEESA-N 1 0 243.347 0.787 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCN(CC(C)C)C(=O)C1 ZINC000663939164 411782509 /nfs/dbraw/zinc/78/25/09/411782509.db2.gz RNOWSPYBTICFOP-GFCCVEGCSA-N 1 0 240.347 0.724 20 30 BCEDRO CC[C@@H](C(=O)Nc1n[nH]cc1C#N)[NH+](C)C ZINC000601639732 411722315 /nfs/dbraw/zinc/72/23/15/411722315.db2.gz RVWKAQRQQVYKBU-QMMMGPOBSA-N 1 0 221.264 0.560 20 30 BCEDRO C[C@@H]([NH3+])[C@@H](C)Nc1ccc(C#N)c(N)n1 ZINC000596014058 411825108 /nfs/dbraw/zinc/82/51/08/411825108.db2.gz LQNXFVYJMIAJHN-RNFRBKRXSA-N 1 0 205.265 0.683 20 30 BCEDRO C=CC[N@H+](CC(=O)N1CCNC1=O)C(C)(C)C ZINC000661755562 411867346 /nfs/dbraw/zinc/86/73/46/411867346.db2.gz ULGXBNBBKAKUKB-UHFFFAOYSA-N 1 0 239.319 0.825 20 30 BCEDRO Cn1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)n1 ZINC000594424564 411844895 /nfs/dbraw/zinc/84/48/95/411844895.db2.gz BBPCSLVKRXLQEY-VIFPVBQESA-N 1 0 235.291 0.770 20 30 BCEDRO COCC#CC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661701584 411848075 /nfs/dbraw/zinc/84/80/75/411848075.db2.gz QZEGDZIEORWDQZ-RYUDHWBXSA-N 1 0 209.289 0.605 20 30 BCEDRO C=CC[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639822342 411852216 /nfs/dbraw/zinc/85/22/16/411852216.db2.gz SIEBGCULVKVYBR-QMMMGPOBSA-N 1 0 208.265 1.017 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639822990 411853267 /nfs/dbraw/zinc/85/32/67/411853267.db2.gz UXTBTYYQRZWGKH-SECBINFHSA-N 1 0 220.276 0.855 20 30 BCEDRO C=C[C@H](CO)NC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000664213993 411888015 /nfs/dbraw/zinc/88/80/15/411888015.db2.gz VEYQMZGWRAGUIE-MNOVXSKESA-N 1 0 241.335 0.317 20 30 BCEDRO C=C[C@H](CO)NC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000664213992 411888084 /nfs/dbraw/zinc/88/80/84/411888084.db2.gz VEYQMZGWRAGUIE-GHMZBOCLSA-N 1 0 241.335 0.317 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1CCC(=O)N(C)CC1 ZINC000661806508 411889557 /nfs/dbraw/zinc/88/95/57/411889557.db2.gz CUKJDJAJFLHPED-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CCC(CO)(CO)C1 ZINC000661946667 411916220 /nfs/dbraw/zinc/91/62/20/411916220.db2.gz BRJZDWBQIAVPGB-NSHDSACASA-N 1 0 211.305 0.465 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662031910 411940579 /nfs/dbraw/zinc/94/05/79/411940579.db2.gz GPOPERWUPGNTDX-RYUDHWBXSA-N 1 0 209.289 0.605 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)COCC(C)C ZINC000662167408 411987665 /nfs/dbraw/zinc/98/76/65/411987665.db2.gz CZNHQBFPPBSBOO-GHMZBOCLSA-N 1 0 217.309 0.156 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)COCC(C)C ZINC000662167409 411988082 /nfs/dbraw/zinc/98/80/82/411988082.db2.gz CZNHQBFPPBSBOO-MNOVXSKESA-N 1 0 217.309 0.156 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCC1CCC1 ZINC000662165763 412014311 /nfs/dbraw/zinc/01/43/11/412014311.db2.gz PAPKWGAUWSGVTR-SNVBAGLBSA-N 1 0 212.293 0.039 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@@H]1CCCC[C@@H]1C ZINC000662167403 412015698 /nfs/dbraw/zinc/01/56/98/412015698.db2.gz CKKLCLSZFIPSCR-QJPTWQEYSA-N 1 0 240.347 0.818 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCC[C@H](C)C1 ZINC000662167420 412015742 /nfs/dbraw/zinc/01/57/42/412015742.db2.gz DLLHTJZSQDZBJC-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCC(=O)N1CCC[C@@H]1C ZINC000662167042 412016005 /nfs/dbraw/zinc/01/60/05/412016005.db2.gz PHHKTHJPOANIFZ-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCN1CCC(C)CC1 ZINC000662167599 412016813 /nfs/dbraw/zinc/01/68/13/412016813.db2.gz APEGPAMCFCTUNB-GFCCVEGCSA-N 1 0 212.337 0.855 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000354717733 171162052 /nfs/dbraw/zinc/16/20/52/171162052.db2.gz ZAJWLKIMNALLAA-RYUDHWBXSA-N 1 0 239.319 0.109 20 30 BCEDRO C=C(C)C[N@H+]1CCc2nnc(NC)cc2C1 ZINC000591915731 412079150 /nfs/dbraw/zinc/07/91/50/412079150.db2.gz JWNZFHQLLPBIOM-UHFFFAOYSA-N 1 0 218.304 1.453 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000665074331 412082102 /nfs/dbraw/zinc/08/21/02/412082102.db2.gz MJTHUXLBRJSBOB-GFCCVEGCSA-N 1 0 226.320 0.476 20 30 BCEDRO C[C@H](C#N)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000347100280 412185244 /nfs/dbraw/zinc/18/52/44/412185244.db2.gz FYXUGUATYXLRFF-SECBINFHSA-N 1 0 241.254 1.365 20 30 BCEDRO C=CC[C@@]1(C(=O)N(C)CCOC)CCC[NH2+]1 ZINC000662469181 412185959 /nfs/dbraw/zinc/18/59/59/412185959.db2.gz NBXRSYIBJWEFLU-LBPRGKRZSA-N 1 0 226.320 0.790 20 30 BCEDRO C[C@H](CCNc1cc(C#N)cnn1)[NH+](C)C ZINC000596429582 412198499 /nfs/dbraw/zinc/19/84/99/412198499.db2.gz IEHACBLXCGDDJX-SECBINFHSA-N 1 0 219.292 1.100 20 30 BCEDRO CC(C)(C)[NH2+]CCNc1cc(C#N)cnn1 ZINC000596104679 412202221 /nfs/dbraw/zinc/20/22/21/412202221.db2.gz LDEHCLZWLQUVFJ-UHFFFAOYSA-N 1 0 219.292 1.148 20 30 BCEDRO C=CCOc1cccc(NC(=O)C2(O)C[NH2+]C2)c1 ZINC000662529331 412205192 /nfs/dbraw/zinc/20/51/92/412205192.db2.gz VRFALMJGKRYRFS-UHFFFAOYSA-N 1 0 248.282 0.524 20 30 BCEDRO C[NH+](C)CC1(C(=O)Nc2n[nH]cc2C#N)CC1 ZINC000602167135 412154203 /nfs/dbraw/zinc/15/42/03/412154203.db2.gz YYQMTAZZVZWRBD-UHFFFAOYSA-N 1 0 233.275 0.562 20 30 BCEDRO Cn1cc(C#N)c(NC(=O)N2CC([NH+](C)C)C2)n1 ZINC000612573543 412154738 /nfs/dbraw/zinc/15/47/38/412154738.db2.gz KVCUGVRWHBEYEE-UHFFFAOYSA-N 1 0 248.290 0.069 20 30 BCEDRO C[C@@H]1C[C@H](Nc2ccc(C#N)c(N)n2)CC[N@@H+]1C ZINC000573578102 412159010 /nfs/dbraw/zinc/15/90/10/412159010.db2.gz FQCYRNBDVFKVTO-MWLCHTKSSA-N 1 0 245.330 1.430 20 30 BCEDRO C=CC[C@]1(C(=O)NC[C@H]2CCCO2)CCC[NH2+]1 ZINC000662432303 412170099 /nfs/dbraw/zinc/17/00/99/412170099.db2.gz PBHZMGYNEVPVJN-DGCLKSJQSA-N 1 0 238.331 0.980 20 30 BCEDRO C=CC[C@@]1(C(=O)NCCCOC)CCC[NH2+]1 ZINC000662433479 412170195 /nfs/dbraw/zinc/17/01/95/412170195.db2.gz HSAYAEMUZJHAED-LBPRGKRZSA-N 1 0 226.320 0.837 20 30 BCEDRO N#Cc1cc(NC[C@H]2CC[N@@H+](C3CC3)C2)ncn1 ZINC000385131738 412254410 /nfs/dbraw/zinc/25/44/10/412254410.db2.gz UYMPPNMWDNBAIZ-SNVBAGLBSA-N 1 0 243.314 1.244 20 30 BCEDRO N#Cc1cc(NC[C@@H]2CSCC[NH2+]2)ncn1 ZINC000603420207 412254957 /nfs/dbraw/zinc/25/49/57/412254957.db2.gz QTLZEDFBYAINSP-SECBINFHSA-N 1 0 235.316 0.465 20 30 BCEDRO C=CCOCC(=O)NCC1([NH3+])CCCC1 ZINC000662650876 412257156 /nfs/dbraw/zinc/25/71/56/412257156.db2.gz JDNFEOCWNNLBCY-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC2CC1(C[NH3+])C2 ZINC000662680311 412268428 /nfs/dbraw/zinc/26/84/28/412268428.db2.gz YMAFVRWYJSHFDX-XSRFYTQQSA-N 1 0 238.331 0.917 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662710059 412274001 /nfs/dbraw/zinc/27/40/01/412274001.db2.gz FUODNVMSAFQBBL-ZYHUDNBSSA-N 1 0 224.304 0.305 20 30 BCEDRO C[NH2+]C1(CNc2cc(C#N)cnn2)CCC1 ZINC000598632176 412289249 /nfs/dbraw/zinc/28/92/49/412289249.db2.gz AAXLTCZITTWQBG-UHFFFAOYSA-N 1 0 217.276 0.902 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC(C)(C)C ZINC000556882301 322930031 /nfs/dbraw/zinc/93/00/31/322930031.db2.gz ZRHBXZVMYKLYBK-NSHDSACASA-N 1 0 227.352 0.828 20 30 BCEDRO C=CC[C@@]1(C(=O)NC[C@@H](O)CCC)CCC[NH2+]1 ZINC000662596719 412234070 /nfs/dbraw/zinc/23/40/70/412234070.db2.gz UCHDWKQLTKPMFU-AAEUAGOBSA-N 1 0 240.347 0.962 20 30 BCEDRO C=CCCCCCN(C)C(=O)C1(O)C[NH2+]C1 ZINC000662612277 412242243 /nfs/dbraw/zinc/24/22/43/412242243.db2.gz NSJSYQWGITURQI-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C[N@@H+]1CCCC[C@@H](CNc2cc(C#N)cnn2)C1 ZINC000599141411 412251395 /nfs/dbraw/zinc/25/13/95/412251395.db2.gz MILWXUPOBHFTCI-NSHDSACASA-N 1 0 245.330 1.492 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@@H]2CO[C@H](C)C2)CCC[NH2+]1 ZINC000662822481 412311784 /nfs/dbraw/zinc/31/17/84/412311784.db2.gz AXYVGSSCINOGCH-NTZNESFSSA-N 1 0 238.331 0.978 20 30 BCEDRO C=C1CCN(C(=O)[C@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662828149 412314200 /nfs/dbraw/zinc/31/42/00/412314200.db2.gz SZYLWNHSOHPNTM-QWRGUYRKSA-N 1 0 224.304 0.529 20 30 BCEDRO C=CC[C@@]1(C(=O)N[C@H](CO)C(C)C)CCC[NH2+]1 ZINC000662833925 412315678 /nfs/dbraw/zinc/31/56/78/412315678.db2.gz WSJADCFQELNREM-YPMHNXCESA-N 1 0 240.347 0.818 20 30 BCEDRO CC(C)[C@H](C(=O)Nc1n[nH]cc1C#N)[NH+](C)C ZINC000601640550 412315847 /nfs/dbraw/zinc/31/58/47/412315847.db2.gz ZJUZYXNWNRORFP-SECBINFHSA-N 1 0 235.291 0.806 20 30 BCEDRO C=CC[C@]1(C(=O)NCCCCO)CCC[NH2+]1 ZINC000662852410 412322836 /nfs/dbraw/zinc/32/28/36/412322836.db2.gz CLCYVMZIOIFNCW-GFCCVEGCSA-N 1 0 226.320 0.573 20 30 BCEDRO C=CCN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H](C)COC ZINC000662854328 412324828 /nfs/dbraw/zinc/32/48/28/412324828.db2.gz LTLWICUTKXHAOI-MXWKQRLJSA-N 1 0 226.320 0.773 20 30 BCEDRO C=CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@H](C)COC ZINC000662856143 412325389 /nfs/dbraw/zinc/32/53/89/412325389.db2.gz ZVLFCKJRRQNLRP-MNOVXSKESA-N 1 0 242.319 0.024 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC1CC[NH+](CCC)CC1 ZINC000665464414 412329468 /nfs/dbraw/zinc/32/94/68/412329468.db2.gz BYXVTTQWEWTBRQ-CYBMUJFWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000662872390 412330642 /nfs/dbraw/zinc/33/06/42/412330642.db2.gz DZBMBEJRUKUHIU-URLYPYJESA-N 1 0 224.304 0.161 20 30 BCEDRO C=CCOCCCNC(=O)C1([NH3+])CCCC1 ZINC000662872599 412330872 /nfs/dbraw/zinc/33/08/72/412330872.db2.gz GPYQDJSUUPOUJX-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO C=CCC1(NC(=O)CCC[NH3+])CCOCC1 ZINC000662875776 412331728 /nfs/dbraw/zinc/33/17/28/412331728.db2.gz XRJHMJBPMNFLPO-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO C=CCC1(NC(=O)CC[NH3+])CCOCC1 ZINC000662876038 412332813 /nfs/dbraw/zinc/33/28/13/412332813.db2.gz ZRQDQIKFUWVLNQ-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO C=CCC1(NC(=O)CNC(=O)C[NH3+])CCCC1 ZINC000662889115 412335999 /nfs/dbraw/zinc/33/59/99/412335999.db2.gz SHLGZBALYHMGFK-UHFFFAOYSA-N 1 0 239.319 0.066 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1[NH2+]CCC1(C)C ZINC000662922953 412345922 /nfs/dbraw/zinc/34/59/22/412345922.db2.gz ZGQHSPRIHWFTGZ-JTQLQIEISA-N 1 0 226.320 0.693 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000665537201 412353731 /nfs/dbraw/zinc/35/37/31/412353731.db2.gz JHJSEHUZWGZNLO-GFCCVEGCSA-N 1 0 240.347 0.916 20 30 BCEDRO Cc1cc(C#N)cc(NC[C@@H]2COCCN2C)n1 ZINC000599161348 412302397 /nfs/dbraw/zinc/30/23/97/412302397.db2.gz PGZOUDHLYDCREP-GFCCVEGCSA-N 1 0 246.314 1.004 20 30 BCEDRO Cc1cc(C#N)nc(NC[C@H]2C[C@@H]([NH+](C)C)C2)n1 ZINC000594590752 412303139 /nfs/dbraw/zinc/30/31/39/412303139.db2.gz ABQBDZUVIKYEBM-UMSPYCQHSA-N 1 0 245.330 1.409 20 30 BCEDRO C=CC[C@]1(C(=O)NC[C@H](C)OC)CCC[NH2+]1 ZINC000662791009 412304008 /nfs/dbraw/zinc/30/40/08/412304008.db2.gz IAQJPJXDUCDDTK-CMPLNLGQSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663010658 412369605 /nfs/dbraw/zinc/36/96/05/412369605.db2.gz KJMFZZARPMPFAQ-JQWIXIFHSA-N 1 0 226.320 0.836 20 30 BCEDRO CN(C)C(=O)CCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190890317 172356717 /nfs/dbraw/zinc/35/67/17/172356717.db2.gz GUHCDAOALCMUIQ-UHFFFAOYSA-N 1 0 248.330 0.855 20 30 BCEDRO CN(C)C(=O)C[NH2+]Cc1cccc(C#N)c1 ZINC000037207991 172369584 /nfs/dbraw/zinc/36/95/84/172369584.db2.gz ZXUIAGAMYYCQGX-UHFFFAOYSA-N 1 0 217.272 0.736 20 30 BCEDRO C[NH+](C)[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC000071179077 172528701 /nfs/dbraw/zinc/52/87/01/172528701.db2.gz LWLMRUGRRDJBTP-SNVBAGLBSA-N 1 0 217.276 0.489 20 30 BCEDRO C[NH+]1CCC(CNC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000121378730 172985656 /nfs/dbraw/zinc/98/56/56/172985656.db2.gz TXOIUNAXGZMGBW-UHFFFAOYSA-N 1 0 246.314 0.958 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CCN1CCO[C@@H](C#N)C1 ZINC000245705415 173027909 /nfs/dbraw/zinc/02/79/09/173027909.db2.gz YJACDKBRNVSLCS-NEPJUHHUSA-N 1 0 223.320 0.695 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000133320960 173031955 /nfs/dbraw/zinc/03/19/55/173031955.db2.gz OMSJKEMYSXUDLM-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNc1nccc(C#N)n1 ZINC000226036280 173034425 /nfs/dbraw/zinc/03/44/25/173034425.db2.gz DRKQCVKWMOHQOH-SNVBAGLBSA-N 1 0 217.276 0.854 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNc1cccnc1C#N ZINC000226776148 173074812 /nfs/dbraw/zinc/07/48/12/173074812.db2.gz PHIYGLUYRAXKCR-NSHDSACASA-N 1 0 245.330 0.611 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNc1cnc(C#N)cn1 ZINC000083647291 173077126 /nfs/dbraw/zinc/07/71/26/173077126.db2.gz WAKMZVBFKXNRQT-LLVKDONJSA-N 1 0 246.318 0.006 20 30 BCEDRO C[NH+]1CCN(CCNc2ccc(C#N)nc2)CC1 ZINC000149339826 173081711 /nfs/dbraw/zinc/08/17/11/173081711.db2.gz VJAFCGKBUYINJH-UHFFFAOYSA-N 1 0 245.330 0.613 20 30 BCEDRO C[NH+]1CCN(CCNc2ccnc(C#N)c2)CC1 ZINC000061811744 173084019 /nfs/dbraw/zinc/08/40/19/173084019.db2.gz LMULNALFMDIMQG-UHFFFAOYSA-N 1 0 245.330 0.613 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3ccnc(C#N)c3)C[C@@H]21 ZINC000329363198 173104679 /nfs/dbraw/zinc/10/46/79/173104679.db2.gz HNMWEYFIVHYESD-QWHCGFSZSA-N 1 0 244.298 0.472 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 ZINC000153151738 173105627 /nfs/dbraw/zinc/10/56/27/173105627.db2.gz JRSMKXYDZZNNAJ-QWHCGFSZSA-N 1 0 244.298 0.472 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC000301673908 173105977 /nfs/dbraw/zinc/10/59/77/173105977.db2.gz RMGWMZKOPWRJAZ-VXGBXAGGSA-N 1 0 244.298 0.472 20 30 BCEDRO C[N@@H+]1CC[C@H](CNc2cnc(C#N)cn2)C1 ZINC000070581232 173147088 /nfs/dbraw/zinc/14/70/88/173147088.db2.gz VHXCGHMPFDQQNA-SECBINFHSA-N 1 0 217.276 0.712 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3cnc(C#N)cn3)[C@H]2C1 ZINC000274783024 173161005 /nfs/dbraw/zinc/16/10/05/173161005.db2.gz WQMRRSDLICELAR-JQWIXIFHSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@](O)(CNc2ncccc2C#N)C1 ZINC000358301584 173164822 /nfs/dbraw/zinc/16/48/22/173164822.db2.gz JDHAQTKYKNWUBS-LBPRGKRZSA-N 1 0 232.287 0.432 20 30 BCEDRO Cn1cc(C[NH2+][C@H]2CCC(=O)N(C)C2)cc1C#N ZINC000189594662 173186625 /nfs/dbraw/zinc/18/66/25/173186625.db2.gz CEWIFJHFFJTJBE-NSHDSACASA-N 1 0 246.314 0.607 20 30 BCEDRO CNC(=O)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000234346985 173277790 /nfs/dbraw/zinc/27/77/90/173277790.db2.gz AGNZASINVBCKHQ-UHFFFAOYSA-N 1 0 233.271 0.402 20 30 BCEDRO CNC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000037254150 173278134 /nfs/dbraw/zinc/27/81/34/173278134.db2.gz MISKZCVAWQRCNB-VIFPVBQESA-N 1 0 217.272 0.955 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)CCOCCC#N ZINC000339012257 173293814 /nfs/dbraw/zinc/29/38/14/173293814.db2.gz WUJHXKPHJXDWBI-JTQLQIEISA-N 1 0 227.308 0.231 20 30 BCEDRO COCC[N@H+](C)CCNc1ccc(C#N)nn1 ZINC000301992374 174278557 /nfs/dbraw/zinc/27/85/57/174278557.db2.gz NDJACZFRHSCTRI-UHFFFAOYSA-N 1 0 235.291 0.338 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190087300 174303264 /nfs/dbraw/zinc/30/32/64/174303264.db2.gz MJWLQJVBHRNZRC-OPRDCNLKSA-N 1 0 227.308 0.105 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190087332 174304340 /nfs/dbraw/zinc/30/43/40/174304340.db2.gz MJWLQJVBHRNZRC-BBBLOLIVSA-N 1 0 227.308 0.105 20 30 BCEDRO C[C@@H]1CC[C@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000285408344 176233040 /nfs/dbraw/zinc/23/30/40/176233040.db2.gz FPUMFDGHOXRQKL-ZJUUUORDSA-N 1 0 219.292 0.928 20 30 BCEDRO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@@H]1[NH+](C)C ZINC000124044725 176319690 /nfs/dbraw/zinc/31/96/90/176319690.db2.gz YBDZYOLSGZNIRO-KOLCDFICSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@H]1C[C@H]1C[NH2+]CCn1cnc(C#N)n1 ZINC000309089662 177381802 /nfs/dbraw/zinc/38/18/02/177381802.db2.gz APUDBDSYBZFVBG-IUCAKERBSA-N 1 0 205.265 0.395 20 30 BCEDRO C[C@H]1NC(=O)CC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000282502296 177393512 /nfs/dbraw/zinc/39/35/12/177393512.db2.gz WUGXGJCLIWLZDJ-SKDRFNHKSA-N 1 0 246.314 0.653 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)N[C@H](C#N)C1CC1 ZINC000491867490 225861337 /nfs/dbraw/zinc/86/13/37/225861337.db2.gz KZCDMBQCWKSEGX-HMDXOVGESA-N 1 0 207.277 0.523 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)N(CC#N)C1CC1 ZINC000491873457 225863356 /nfs/dbraw/zinc/86/33/56/225863356.db2.gz UEUCAXDENLVPOH-ARJAWSKDSA-N 1 0 207.277 0.619 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC000668368817 487657880 /nfs/dbraw/zinc/65/78/80/487657880.db2.gz HWBUSJKCKGAQOR-UHFFFAOYSA-N 1 0 234.303 0.790 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000674934253 487658591 /nfs/dbraw/zinc/65/85/91/487658591.db2.gz VDOLGRIKEJTGCJ-VHSXEESVSA-N 1 0 211.309 0.954 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[NH+](CC)CC ZINC000665063395 487661577 /nfs/dbraw/zinc/66/15/77/487661577.db2.gz XJWXLFJATCEOGG-NSHDSACASA-N 1 0 214.309 0.381 20 30 BCEDRO C=CCOCCNC(=O)[C@]1(CC)CCC[NH2+]1 ZINC000304244570 487670457 /nfs/dbraw/zinc/67/04/57/487670457.db2.gz OUXZWNXWBNLNGH-LBPRGKRZSA-N 1 0 226.320 0.837 20 30 BCEDRO C[C@H]1C[C@@H](C(=O)Nc2n[nH]cc2C#N)CC[NH2+]1 ZINC000520808030 487676183 /nfs/dbraw/zinc/67/61/83/487676183.db2.gz YWTRWNHGLUBKGX-YUMQZZPRSA-N 1 0 233.275 0.608 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@H]2COCCN2)C1 ZINC000527533843 262861380 /nfs/dbraw/zinc/86/13/80/262861380.db2.gz WFJBPBMKYQCADW-WOPDTQHZSA-N 1 0 223.320 0.647 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H](C)[C@@H]1C[NH3+] ZINC000226345262 487714315 /nfs/dbraw/zinc/71/43/15/487714315.db2.gz OOCCYURYGHJKFH-QWRGUYRKSA-N 1 0 225.336 0.348 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000226345257 487714497 /nfs/dbraw/zinc/71/44/97/487714497.db2.gz OOCCYURYGHJKFH-MNOVXSKESA-N 1 0 225.336 0.348 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](OCCO)C1 ZINC000682039850 487720006 /nfs/dbraw/zinc/72/00/06/487720006.db2.gz XPWLVQGYJBMSCB-RYUDHWBXSA-N 1 0 229.320 0.397 20 30 BCEDRO C=C(C)CCNc1ncnc2c1OCCN2 ZINC000665721783 487739675 /nfs/dbraw/zinc/73/96/75/487739675.db2.gz KPWVALZBLRNYTC-UHFFFAOYSA-N 1 0 220.276 0.772 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000668443289 487761531 /nfs/dbraw/zinc/76/15/31/487761531.db2.gz YIHRCIWQRUPSQX-VXGBXAGGSA-N 1 0 238.331 0.620 20 30 BCEDRO C#CCOCCNC(=O)C[N@@H+](C)C(C)C ZINC000753239929 585255796 /nfs/dbraw/zinc/25/57/96/585255796.db2.gz NRADJYZXXITNAX-UHFFFAOYSA-N 1 0 212.293 0.093 20 30 BCEDRO CC[NH+](CC)CC(=O)NC1=NO[C@H](C)C1 ZINC000763257126 585445139 /nfs/dbraw/zinc/44/51/39/585445139.db2.gz AJCQSICZYFTVDC-MRVPVSSYSA-N 1 0 213.281 0.567 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000668457325 487781174 /nfs/dbraw/zinc/78/11/74/487781174.db2.gz DFNIQXACSXERRF-AAEUAGOBSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](C)C1 ZINC000764037730 585458973 /nfs/dbraw/zinc/45/89/73/585458973.db2.gz LMODIHVOFXWXLZ-SNVBAGLBSA-N 1 0 212.293 0.352 20 30 BCEDRO N#CCCCC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000091752950 487794620 /nfs/dbraw/zinc/79/46/20/487794620.db2.gz MYVVBVQGTATWJE-JTQLQIEISA-N 1 0 222.292 0.390 20 30 BCEDRO 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225.336 0.675 20 30 BCEDRO CCOC[C@@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000563008369 323079613 /nfs/dbraw/zinc/07/96/13/323079613.db2.gz WRJQKLUTXREODH-JTQLQIEISA-N 1 0 212.293 0.667 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CCC[C@@]2(C)CO)C1=O ZINC000531199346 323085321 /nfs/dbraw/zinc/08/53/21/323085321.db2.gz DFWVFGDJUSRWOI-AAEUAGOBSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CCC[C@]2(C)CO)C1=O ZINC000531199350 323085379 /nfs/dbraw/zinc/08/53/79/323085379.db2.gz DFWVFGDJUSRWOI-WCQYABFASA-N 1 0 238.331 0.620 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000364801332 323085426 /nfs/dbraw/zinc/08/54/26/323085426.db2.gz CVOSSAZBIQFQOQ-LLVKDONJSA-N 1 0 208.261 0.584 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@H]([NH2+]C)C2)C1=O ZINC000563153408 323095958 /nfs/dbraw/zinc/09/59/58/323095958.db2.gz PNEDCSLRCNYXDA-QWRGUYRKSA-N 1 0 223.320 0.067 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000677046780 487957404 /nfs/dbraw/zinc/95/74/04/487957404.db2.gz JAWIXLNBCDMRDQ-LBPRGKRZSA-N 1 0 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20 30 BCEDRO C#CC[N@H+](C)CCCNc1ccnc(C(N)=O)c1 ZINC000328262229 323183833 /nfs/dbraw/zinc/18/38/33/323183833.db2.gz LQLPWEOCVHZRRP-UHFFFAOYSA-N 1 0 246.314 0.548 20 30 BCEDRO Cc1ncc(C(=O)NC2(C#N)CC[NH+](C)CC2)[nH]1 ZINC000535879188 323193728 /nfs/dbraw/zinc/19/37/28/323193728.db2.gz HEFHZTTZERNYHR-UHFFFAOYSA-N 1 0 247.302 0.436 20 30 BCEDRO CC(C)[NH+]1CCC(NC(=O)CC#N)CC1 ZINC000395684605 323237705 /nfs/dbraw/zinc/23/77/05/323237705.db2.gz WHWDBGSDVLRQMP-UHFFFAOYSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cnc(N(C)C)n1C ZINC000320934842 323326820 /nfs/dbraw/zinc/32/68/20/323326820.db2.gz FFIYLAGYRBKNSY-SNVBAGLBSA-N 1 0 238.335 0.513 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000563994824 323342541 /nfs/dbraw/zinc/34/25/41/323342541.db2.gz SQTZCNVQAHVUAP-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)C1(C#N)CCCC1 ZINC000572053259 323529175 /nfs/dbraw/zinc/52/91/75/323529175.db2.gz JYGDXFLSBWPZEO-SECBINFHSA-N 1 0 209.293 0.781 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+](C)CCN1CCCC1=O ZINC000677048412 487959326 /nfs/dbraw/zinc/95/93/26/487959326.db2.gz WEZZCHLABZRQDH-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO CNC(NCc1c2c(nn1C)CCCC2)=[NH+]C ZINC000262668957 323615301 /nfs/dbraw/zinc/61/53/01/323615301.db2.gz OMJMEZXTXBYHRT-UHFFFAOYSA-N 1 0 235.335 0.594 20 30 BCEDRO C=CC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC(C)C ZINC000121358698 324012021 /nfs/dbraw/zinc/01/20/21/324012021.db2.gz FBMRKGDDCMEMID-SNVBAGLBSA-N 1 0 241.335 0.975 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000491305897 324155830 /nfs/dbraw/zinc/15/58/30/324155830.db2.gz KNPHBBBSUQYCPZ-SDDRHHMPSA-N 1 0 238.331 0.265 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)CN1CC[NH+](CC)CC1 ZINC000491778920 324161023 /nfs/dbraw/zinc/16/10/23/324161023.db2.gz JHCWWVILCXISGZ-GFCCVEGCSA-N 1 0 237.347 0.104 20 30 BCEDRO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000572527665 324191046 /nfs/dbraw/zinc/19/10/46/324191046.db2.gz HEQFAKVZZYUANF-ZJUUUORDSA-N 1 0 245.348 0.302 20 30 BCEDRO C=CCONC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000529332982 324275157 /nfs/dbraw/zinc/27/51/57/324275157.db2.gz UDMGTABQYAZZSF-SNVBAGLBSA-N 1 0 227.308 0.743 20 30 BCEDRO C=CCCn1cc(CN2CC[C@H](CO)C2)nn1 ZINC000653558604 487964553 /nfs/dbraw/zinc/96/45/53/487964553.db2.gz LUOBCGAGJSJMHT-NSHDSACASA-N 1 0 236.319 0.668 20 30 BCEDRO C=CCCOCCNC(=O)N(C)CC[NH2+]C ZINC000417968385 487965158 /nfs/dbraw/zinc/96/51/58/487965158.db2.gz XEVFFOBNLTYTTE-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO N#CCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000541024782 324943349 /nfs/dbraw/zinc/94/33/49/324943349.db2.gz QGHHLONRPUITGD-JTQLQIEISA-N 1 0 207.277 0.501 20 30 BCEDRO CC#CCCNC(=O)CN1CC[NH+](CC)CC1 ZINC000541748545 324977840 /nfs/dbraw/zinc/97/78/40/324977840.db2.gz QLTWLPAGANSUBS-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000542878260 325060069 /nfs/dbraw/zinc/06/00/69/325060069.db2.gz VNPVKQJGNLYLEP-ZJUUUORDSA-N 1 0 226.324 0.785 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH2+]C1(C2CC2)CC1 ZINC000543455241 325090378 /nfs/dbraw/zinc/09/03/78/325090378.db2.gz VHYHIJPHZJERHH-UHFFFAOYSA-N 1 0 237.303 0.530 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000543803461 325114569 /nfs/dbraw/zinc/11/45/69/325114569.db2.gz JOSCWNNXJMBHRV-UWVGGRQHSA-N 1 0 224.308 0.539 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000131125814 325120339 /nfs/dbraw/zinc/12/03/39/325120339.db2.gz DBNSYCYUIHKJRD-SRVKXCTJSA-N 1 0 240.347 0.947 20 30 BCEDRO C=CCC[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000132387722 325213885 /nfs/dbraw/zinc/21/38/85/325213885.db2.gz VVZFMRKDNBORQR-UHFFFAOYSA-N 1 0 237.347 0.459 20 30 BCEDRO C=C(C)CN1CC[NH+]([C@H](CC)CO)CC1 ZINC000075957427 325322901 /nfs/dbraw/zinc/32/29/01/325322901.db2.gz GGDAWUJLCSAYSO-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO Cc1cc(C#N)cnc1C(=O)NCC[NH+](C)C ZINC000548987556 325494124 /nfs/dbraw/zinc/49/41/24/325494124.db2.gz BPQDYOUEZTWJRZ-UHFFFAOYSA-N 1 0 232.287 0.553 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000554965358 325741258 /nfs/dbraw/zinc/74/12/58/325741258.db2.gz JKEGVYHTRXDRAC-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000565215398 325876915 /nfs/dbraw/zinc/87/69/15/325876915.db2.gz JTZOBYFLTIAUGF-UHFFFAOYSA-N 1 0 209.249 0.784 20 30 BCEDRO C=CCOc1cccnc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000566199900 326011945 /nfs/dbraw/zinc/01/19/45/326011945.db2.gz DZJNWEPUJXDOCI-JTQLQIEISA-N 1 0 247.298 0.820 20 30 BCEDRO CC(C)(C#N)CC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000566628302 326068943 /nfs/dbraw/zinc/06/89/43/326068943.db2.gz LSWNPHMFPLKDGV-NSHDSACASA-N 1 0 225.292 0.160 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000566673847 326072954 /nfs/dbraw/zinc/07/29/54/326072954.db2.gz CPYUIQIWBCRYLH-TUAOUCFPSA-N 1 0 238.331 0.645 20 30 BCEDRO C=CCSCC[NH2+]CCC(=O)NC(N)=O ZINC000567103964 326116654 /nfs/dbraw/zinc/11/66/54/326116654.db2.gz ZXEXIWOIZBLYPS-UHFFFAOYSA-N 1 0 231.321 0.080 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000567284138 326155862 /nfs/dbraw/zinc/15/58/62/326155862.db2.gz GQCKJPQWGAFSTB-NSHDSACASA-N 1 0 240.347 0.901 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418032356 487971829 /nfs/dbraw/zinc/97/18/29/487971829.db2.gz PYWVIKOZIFMDQO-GHMZBOCLSA-N 1 0 223.320 0.969 20 30 BCEDRO C=CCCS(=O)(=O)NCC[N@@H+](C)C(C)C ZINC000155604802 326203199 /nfs/dbraw/zinc/20/31/99/326203199.db2.gz TXDUXVOCZGGCDJ-UHFFFAOYSA-N 1 0 234.365 0.822 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CCOCC1 ZINC000155946826 326215253 /nfs/dbraw/zinc/21/52/53/326215253.db2.gz QGVVRBLNEZRHQX-LLVKDONJSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(CC)C[NH2+]C[C@H](O)CN1CCOCC1 ZINC000313487347 326268216 /nfs/dbraw/zinc/26/82/16/326268216.db2.gz XPUJXHAUWOKCGN-LBPRGKRZSA-N 1 0 228.336 0.235 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000668589066 487972023 /nfs/dbraw/zinc/97/20/23/487972023.db2.gz XAWJFBRPCUBZSU-GHMZBOCLSA-N 1 0 224.304 0.086 20 30 BCEDRO N#CC1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCCC1 ZINC000568153109 326314164 /nfs/dbraw/zinc/31/41/64/326314164.db2.gz WXXXFHFCRFSQQD-PHIMTYICSA-N 1 0 233.315 0.748 20 30 BCEDRO Cc1nc(C(=O)N[C@H](C)[C@@H](C)[NH3+])ccc1C#N ZINC000568153033 326314198 /nfs/dbraw/zinc/31/41/98/326314198.db2.gz UHWHEZUYGUEARC-HTQZYQBOSA-N 1 0 232.287 0.727 20 30 BCEDRO C=CCC(C)(C)C[NH2+]CCC(=O)NC(N)=O ZINC000568382791 326351973 /nfs/dbraw/zinc/35/19/73/326351973.db2.gz MMXHJWZMRLZKJP-UHFFFAOYSA-N 1 0 227.308 0.763 20 30 BCEDRO C=CCn1cc(CN[C@@H](C)[C@H]2CCC[NH2+]2)nn1 ZINC000568382256 326352035 /nfs/dbraw/zinc/35/20/35/326352035.db2.gz VCMBZPCLFYRTBZ-CMPLNLGQSA-N 1 0 235.335 0.694 20 30 BCEDRO N#Cc1cc(=O)n(C[C@H]2CC[C@H](C[NH3+])CC2)cn1 ZINC000568507302 326359014 /nfs/dbraw/zinc/35/90/14/326359014.db2.gz QJPJPOKDTHBPJE-XYPYZODXSA-N 1 0 246.314 0.880 20 30 BCEDRO COC[C@H](O)C[NH2+]CCc1cccc(C#N)c1 ZINC000568502313 326360210 /nfs/dbraw/zinc/36/02/10/326360210.db2.gz PPHIVULITQLFMN-CYBMUJFWSA-N 1 0 234.299 0.698 20 30 BCEDRO C=CC(C)(C)C[NH2+]CCC(=O)NC(N)=O ZINC000568873048 326380477 /nfs/dbraw/zinc/38/04/77/326380477.db2.gz JGHMSQBEEXABSF-UHFFFAOYSA-N 1 0 213.281 0.373 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]([NH3+])CC ZINC000573089783 326428961 /nfs/dbraw/zinc/42/89/61/326428961.db2.gz PXKSVOIDIFJPCT-AEJSXWLSSA-N 1 0 212.293 0.431 20 30 BCEDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)c(C)n2)C1 ZINC000573262678 326438390 /nfs/dbraw/zinc/43/83/90/326438390.db2.gz SSBFVRPTOZBHIA-NSHDSACASA-N 1 0 244.298 0.696 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000682537503 487980851 /nfs/dbraw/zinc/98/08/51/487980851.db2.gz AKUIICIECKBXSG-USZNOCQGSA-N 1 0 238.331 0.509 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668599260 487988447 /nfs/dbraw/zinc/98/84/47/487988447.db2.gz RSYDLIAJVXSSMU-QWRGUYRKSA-N 1 0 224.304 0.228 20 30 BCEDRO C=CCCOCC(=O)N(C)[C@@H](C)C[NH3+] ZINC000308988012 488002197 /nfs/dbraw/zinc/00/21/97/488002197.db2.gz KFXZSMKGAMRLIW-VIFPVBQESA-N 1 0 200.282 0.385 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195273456 488011697 /nfs/dbraw/zinc/01/16/97/488011697.db2.gz CZGVRVROZZBTLE-UTUOFQBUSA-N 1 0 238.331 0.645 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H](C)C[NH+](CC)CC ZINC000358579648 488029596 /nfs/dbraw/zinc/02/95/96/488029596.db2.gz GPXRSTSKYBXIQZ-GHMZBOCLSA-N 1 0 243.351 0.563 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CC(C)(C)OC ZINC000491118522 488030007 /nfs/dbraw/zinc/03/00/07/488030007.db2.gz DXQFQXUZYJADIS-UHFFFAOYSA-N 1 0 226.320 0.483 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@@H+](C)CCCC ZINC000668638580 488039269 /nfs/dbraw/zinc/03/92/69/488039269.db2.gz NEBOBRALBLYRDZ-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+](C)CCCC ZINC000668639087 488039944 /nfs/dbraw/zinc/03/99/44/488039944.db2.gz SYSQMPRQNIFQNN-GFCCVEGCSA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCOCCCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000659595325 488046202 /nfs/dbraw/zinc/04/62/02/488046202.db2.gz BQSBCXYWBRWROS-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO COCC#CC[N@@H+](C)CCOCCOC ZINC000677523924 488065287 /nfs/dbraw/zinc/06/52/87/488065287.db2.gz GUKRDJXGNKWJLB-UHFFFAOYSA-N 1 0 215.293 0.231 20 30 BCEDRO C=CCOCC[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401849110 488070610 /nfs/dbraw/zinc/07/06/10/488070610.db2.gz CCFXLIDSPCKLHS-LBPRGKRZSA-N 1 0 229.320 0.662 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H]1CCCC[NH2+]1 ZINC000236654811 488080757 /nfs/dbraw/zinc/08/07/57/488080757.db2.gz RPURTNYOBAOZGY-SNVBAGLBSA-N 1 0 232.349 0.624 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CCCC[NH2+]1 ZINC000389453357 488097986 /nfs/dbraw/zinc/09/79/86/488097986.db2.gz VKUOLTOQVIPAIE-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCCC[NH+](CC)CC ZINC000668680044 488108442 /nfs/dbraw/zinc/10/84/42/488108442.db2.gz JAJMLXCFJFDDPG-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000667770525 488116122 /nfs/dbraw/zinc/11/61/22/488116122.db2.gz AIARCTPLIHNIGN-LLVKDONJSA-N 1 0 226.320 0.381 20 30 BCEDRO COCC#CC[NH+]1CCC(CCO)CC1 ZINC000677818143 488132973 /nfs/dbraw/zinc/13/29/73/488132973.db2.gz VMYGPGANVOESRM-UHFFFAOYSA-N 1 0 211.305 0.731 20 30 BCEDRO COCC#CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000677818443 488132992 /nfs/dbraw/zinc/13/29/92/488132992.db2.gz NXZRUFLAVHKTDA-CYBMUJFWSA-N 1 0 222.332 0.806 20 30 BCEDRO C=CCN(C(=O)COC1(C)C[NH2+]C1)C1CC1 ZINC000168762663 487540385 /nfs/dbraw/zinc/54/03/85/487540385.db2.gz IIKSGWSDPNDLBA-UHFFFAOYSA-N 1 0 224.304 0.542 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(C)CC(C)(C)[NH3+] ZINC000662295510 487542158 /nfs/dbraw/zinc/54/21/58/487542158.db2.gz LZMANDLTRMRYMJ-UHFFFAOYSA-N 1 0 239.363 0.856 20 30 BCEDRO C=C1CCN(C(=O)COC2(C)C[NH2+]C2)CC1 ZINC000382605581 487547537 /nfs/dbraw/zinc/54/75/37/487547537.db2.gz WITOFHOTAKYHCJ-UHFFFAOYSA-N 1 0 224.304 0.544 20 30 BCEDRO C=CCCOCC(=O)NC[C@H](C)[NH+](C)C ZINC000147013084 487531208 /nfs/dbraw/zinc/53/12/08/487531208.db2.gz CBKLNVLGMHZPIX-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399423077 487483761 /nfs/dbraw/zinc/48/37/61/487483761.db2.gz GCCNZDKBQZEODW-MNOVXSKESA-N 1 0 228.336 0.925 20 30 BCEDRO C=CCOCCNC(=O)[C@H](C(C)C)[C@H](C)[NH3+] ZINC000399423081 487483779 /nfs/dbraw/zinc/48/37/79/487483779.db2.gz GCCNZDKBQZEODW-WDEREUQCSA-N 1 0 228.336 0.925 20 30 BCEDRO C=CCCOCCNCc1ncnn1CC ZINC000231819487 487477506 /nfs/dbraw/zinc/47/75/06/487477506.db2.gz LRXKJFHUKGVTCG-UHFFFAOYSA-N 1 0 224.308 0.980 20 30 BCEDRO C=CCCOCC(=O)N(C)CC[NH+](C)C ZINC000673945389 487488736 /nfs/dbraw/zinc/48/87/36/487488736.db2.gz UXIDXIBKSOCFCN-UHFFFAOYSA-N 1 0 214.309 0.599 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2COC)C1=O ZINC000685001572 487488862 /nfs/dbraw/zinc/48/88/62/487488862.db2.gz CIQPWUFOZPOLOQ-VXGBXAGGSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H](O)C2CC2)C1=O ZINC000685002122 487489121 /nfs/dbraw/zinc/48/91/21/487489121.db2.gz VYEZGJPLFONHHT-RYUDHWBXSA-N 1 0 238.331 0.476 20 30 BCEDRO CC(C)[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000310327317 487502263 /nfs/dbraw/zinc/50/22/63/487502263.db2.gz ZGGDTEMGFMYCCV-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO CCC#C[C@@H](C)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000681712289 487514406 /nfs/dbraw/zinc/51/44/06/487514406.db2.gz SVZWPUWEBSYBRF-CHWSQXEVSA-N 1 0 224.348 0.787 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000683373072 488148311 /nfs/dbraw/zinc/14/83/11/488148311.db2.gz IZCHXNKOWPKLJX-BDAKNGLRSA-N 1 0 239.237 0.923 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@](O)(C(F)(F)F)C1 ZINC000683373074 488148329 /nfs/dbraw/zinc/14/83/29/488148329.db2.gz IZCHXNKOWPKLJX-IUCAKERBSA-N 1 0 239.237 0.923 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCC(C)(F)F ZINC000591768173 487798242 /nfs/dbraw/zinc/79/82/42/487798242.db2.gz KHXTVPYQKLGORM-JTQLQIEISA-N 1 0 249.305 0.828 20 30 BCEDRO C=C(C)C[N@@H+](CCO)CCOCCOC ZINC000625756975 487845395 /nfs/dbraw/zinc/84/53/95/487845395.db2.gz VBKDVLWCORBPMS-UHFFFAOYSA-N 1 0 217.309 0.520 20 30 BCEDRO C=CCOCCNC(=O)[C@@](C)([NH3+])CCC ZINC000379999320 488167284 /nfs/dbraw/zinc/16/72/84/488167284.db2.gz JLZHQLAIETVOLQ-NSHDSACASA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCOCCNC(=O)[C@](C)([NH3+])CCC ZINC000379999319 488167365 /nfs/dbraw/zinc/16/73/65/488167365.db2.gz JLZHQLAIETVOLQ-LLVKDONJSA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000659610567 488192006 /nfs/dbraw/zinc/19/20/06/488192006.db2.gz NNHSHDVGGCOZMD-QWRGUYRKSA-N 1 0 241.335 0.568 20 30 BCEDRO COCC#CCN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000678173021 488212190 /nfs/dbraw/zinc/21/21/90/488212190.db2.gz QZBNXNUNFBEMAA-NWDGAFQWSA-N 1 0 210.321 0.661 20 30 BCEDRO C=CCOCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000669555449 488216608 /nfs/dbraw/zinc/21/66/08/488216608.db2.gz ZGXWGVCHGWJTHF-DTWKUNHWSA-N 1 0 215.297 0.224 20 30 BCEDRO C=CCOCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000669555385 488216694 /nfs/dbraw/zinc/21/66/94/488216694.db2.gz UQUOITHHOUTEKC-JTQLQIEISA-N 1 0 227.308 0.192 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000684005948 488254770 /nfs/dbraw/zinc/25/47/70/488254770.db2.gz XOQANUHNZNEKRQ-PWSUYJOCSA-N 1 0 224.304 0.135 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000684211311 488277197 /nfs/dbraw/zinc/27/71/97/488277197.db2.gz MGKOWGRMVJAJPV-AVGNSLFASA-N 1 0 241.331 0.803 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000684211312 488277216 /nfs/dbraw/zinc/27/72/16/488277216.db2.gz MGKOWGRMVJAJPV-FRRDWIJNSA-N 1 0 241.331 0.803 20 30 BCEDRO COCC#CC[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000684628327 488335780 /nfs/dbraw/zinc/33/57/80/488335780.db2.gz JFYRXNWELVFQLM-VXGBXAGGSA-N 1 0 227.304 0.108 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000679586595 488359733 /nfs/dbraw/zinc/35/97/33/488359733.db2.gz RUEVQLMWSZVAIF-LLVKDONJSA-N 1 0 228.336 0.891 20 30 BCEDRO C=CCOCCNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000679586596 488359753 /nfs/dbraw/zinc/35/97/53/488359753.db2.gz RUEVQLMWSZVAIF-NSHDSACASA-N 1 0 228.336 0.891 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000668315930 490086025 /nfs/dbraw/zinc/08/60/25/490086025.db2.gz WNMUQLLKVUVFRC-LLVKDONJSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](CO)NC1CC[NH+](CC2CC2)CC1 ZINC000309655973 490172125 /nfs/dbraw/zinc/17/21/25/490172125.db2.gz VSMLSDLAUMPIGF-GFCCVEGCSA-N 1 0 224.348 0.997 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)NCC(C)(C)C#N ZINC000335491826 490305232 /nfs/dbraw/zinc/30/52/32/490305232.db2.gz NVYUAWOIAZGCAY-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C[NH+]=C(NCc1nccn1C)N[C@H]1C[C@@H]1C ZINC000083901114 490563017 /nfs/dbraw/zinc/56/30/17/490563017.db2.gz GFFCSVKTABLPTD-IUCAKERBSA-N 1 0 221.308 0.494 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CC[NH2+]C1 ZINC000491641571 491079846 /nfs/dbraw/zinc/07/98/46/491079846.db2.gz RGTVTDONBVBMAE-NSHDSACASA-N 1 0 219.288 0.016 20 30 BCEDRO C=CCCn1cc(CN2CC[C@H](C[NH2+]C)C2)nn1 ZINC000655937999 491098800 /nfs/dbraw/zinc/09/88/00/491098800.db2.gz IPJXRZDUBFBKAW-GFCCVEGCSA-N 1 0 249.362 0.896 20 30 BCEDRO CC(C)(C)[N@@H+]1CC[C@@H](NC(=O)CC#N)C1 ZINC000220129611 491125561 /nfs/dbraw/zinc/12/55/61/491125561.db2.gz XJQYXDFMOALQPB-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO COCC#CC[NH2+][C@H](COC)[C@@H]1CCCO1 ZINC000309986781 491159463 /nfs/dbraw/zinc/15/94/63/491159463.db2.gz YRRILDRPOZMVOE-NEPJUHHUSA-N 1 0 227.304 0.420 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@H](CC)[NH+](CC)CC)C1 ZINC000890523534 582464778 /nfs/dbraw/zinc/46/47/78/582464778.db2.gz RPCQBQHILXORBH-NSHDSACASA-N 1 0 238.331 0.313 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(CC#N)CC1 ZINC000487590759 533904193 /nfs/dbraw/zinc/90/41/93/533904193.db2.gz XXOHJCSORRQYGZ-WDEREUQCSA-N 1 0 235.331 0.994 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CC(C)(C#N)C1 ZINC000487583283 533899462 /nfs/dbraw/zinc/89/94/62/533899462.db2.gz OSGTXNWATBLHPA-UWVGGRQHSA-N 1 0 221.304 0.556 20 30 BCEDRO C=CC(C)(C)NC(=O)[C@H]1CN(CC)CCO1 ZINC000891269696 582648868 /nfs/dbraw/zinc/64/88/68/582648868.db2.gz OSKBKDYWRQCVNF-SNVBAGLBSA-N 1 0 226.320 0.788 20 30 BCEDRO C[C@H](CN1CCOCC1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000442723036 534067124 /nfs/dbraw/zinc/06/71/24/534067124.db2.gz WOBCZPVINRZXPZ-JHJVBQTASA-N 1 0 237.347 0.989 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000491746104 517302387 /nfs/dbraw/zinc/30/23/87/517302387.db2.gz LKFJBOSSZSPRSH-GFCCVEGCSA-N 1 0 233.315 0.392 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cnn(CC)c1 ZINC000184264667 534317119 /nfs/dbraw/zinc/31/71/19/534317119.db2.gz YFQZDNBXAVTWRJ-NSHDSACASA-N 1 0 209.293 0.930 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1CNC1=[NH+]CCN1C ZINC000262657730 534345901 /nfs/dbraw/zinc/34/59/01/534345901.db2.gz MAIGUPVURUUEDF-GHMZBOCLSA-N 1 0 223.320 0.859 20 30 BCEDRO C=CC[C@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000134747917 534353029 /nfs/dbraw/zinc/35/30/29/534353029.db2.gz RUFDKMGLODWZJE-VIFPVBQESA-N 1 0 237.303 0.138 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C ZINC000262347452 536304900 /nfs/dbraw/zinc/30/49/00/536304900.db2.gz AKZDEEICBFOHPN-DJLDLDEBSA-N 1 0 211.309 0.724 20 30 BCEDRO CNC(=[NH2+])NCc1noc2c1CCCC2 ZINC000262298880 536305241 /nfs/dbraw/zinc/30/52/41/536305241.db2.gz JZAXEDMMTKEABI-UHFFFAOYSA-N 1 0 208.265 0.588 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@@H]2Cc3ccccc3[C@@H]21 ZINC000122225715 536305365 /nfs/dbraw/zinc/30/53/65/536305365.db2.gz OIAIYAPGYNDTII-OUAUKWLOSA-N 1 0 201.273 0.859 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C[N@@H+](C)CCC ZINC000342153501 534386527 /nfs/dbraw/zinc/38/65/27/534386527.db2.gz CCCDWBRDFOZCRY-NSHDSACASA-N 1 0 228.336 0.629 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000358500900 534389202 /nfs/dbraw/zinc/38/92/02/534389202.db2.gz RKMBHJRREUSLJX-NSHDSACASA-N 1 0 246.376 0.953 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000358494881 534400281 /nfs/dbraw/zinc/40/02/81/534400281.db2.gz GJSFFPFZACMAEL-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000358881623 534397228 /nfs/dbraw/zinc/39/72/28/534397228.db2.gz ZJFGJRJGOPKYBK-SECBINFHSA-N 1 0 218.322 0.315 20 30 BCEDRO C=C(CC)C[N@@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000358507060 534401053 /nfs/dbraw/zinc/40/10/53/534401053.db2.gz KUAZJXHPLSIJAP-NXEZZACHSA-N 1 0 212.293 0.527 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372861581 534446878 /nfs/dbraw/zinc/44/68/78/534446878.db2.gz WUEMEFRCZUNNJF-SNVBAGLBSA-N 1 0 243.738 0.245 20 30 BCEDRO C=C[C@@H](CO)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000356856890 534518868 /nfs/dbraw/zinc/51/88/68/534518868.db2.gz DXXNZCGPIATUFJ-LBPRGKRZSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NCC[NH+](CC)CC ZINC000358488774 534523064 /nfs/dbraw/zinc/52/30/64/534523064.db2.gz XMUZDJDUVGSEHG-JTQLQIEISA-N 1 0 229.324 0.174 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NCC[N@@H+](C)CCCC ZINC000358644657 534523276 /nfs/dbraw/zinc/52/32/76/534523276.db2.gz BYAOXDZLYUQICR-NSHDSACASA-N 1 0 243.351 0.564 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cc(C(=O)OC)n(C)c1 ZINC000352472990 534540447 /nfs/dbraw/zinc/54/04/47/534540447.db2.gz MZMZCFVZDDFHRC-JTQLQIEISA-N 1 0 238.287 0.448 20 30 BCEDRO C[NH+]=C(NCCc1ccn(C)n1)NC1CC1 ZINC000849019201 582827527 /nfs/dbraw/zinc/82/75/27/582827527.db2.gz QSXGBXVFHKQZLS-UHFFFAOYSA-N 1 0 221.308 0.290 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC1=[NH+]CCCN1C ZINC000263023656 534582281 /nfs/dbraw/zinc/58/22/81/534582281.db2.gz FSFJDXYESLXQIJ-QWRGUYRKSA-N 1 0 223.320 0.859 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(NC1CC1)=[NH+]C ZINC000263011915 534583147 /nfs/dbraw/zinc/58/31/47/534583147.db2.gz CCQDBJDDMXYGJX-ONGXEEELSA-N 1 0 223.320 0.905 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333815043 534601908 /nfs/dbraw/zinc/60/19/08/534601908.db2.gz QEYURASQCRLXRE-AXFHLTTASA-N 1 0 239.319 0.381 20 30 BCEDRO C=CCCC(=O)N1CC[NH+]([C@@H](CC)CO)CC1 ZINC000305176260 534605683 /nfs/dbraw/zinc/60/56/83/534605683.db2.gz GFYWTFUOGACARO-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CCCC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000261589025 534616205 /nfs/dbraw/zinc/61/62/05/534616205.db2.gz SUKXNTXVGKVCEI-LBPRGKRZSA-N 1 0 226.320 0.837 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC[NH+]1CCC1 ZINC000355345936 534627300 /nfs/dbraw/zinc/62/73/00/534627300.db2.gz JQENYCXVHPMYMG-LLVKDONJSA-N 1 0 212.293 0.135 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000359195603 534677871 /nfs/dbraw/zinc/67/78/71/534677871.db2.gz MPFYLUCEEBZDFK-GMTAPVOTSA-N 1 0 241.335 0.315 20 30 BCEDRO CC#CC[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000335602410 534707646 /nfs/dbraw/zinc/70/76/46/534707646.db2.gz ZMUQNRTVHJXSAY-UHFFFAOYSA-N 1 0 221.304 0.499 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000335611871 534714032 /nfs/dbraw/zinc/71/40/32/534714032.db2.gz JLRGSSXXDHROAX-NXEZZACHSA-N 1 0 209.293 0.307 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000120404977 534782472 /nfs/dbraw/zinc/78/24/72/534782472.db2.gz PRNQHYSIVKAJHZ-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262759642 534785172 /nfs/dbraw/zinc/78/51/72/534785172.db2.gz RBVYRTQAEMFFKD-MNOVXSKESA-N 1 0 244.360 0.719 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000261545048 534785344 /nfs/dbraw/zinc/78/53/44/534785344.db2.gz JMTZRBSCJNUKNE-UWVGGRQHSA-N 1 0 232.349 0.561 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261592020 534785922 /nfs/dbraw/zinc/78/59/22/534785922.db2.gz VRJBQAJCLIWAHJ-UWVGGRQHSA-N 1 0 232.349 0.561 20 30 BCEDRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C#N)cc1 ZINC000082578360 524585789 /nfs/dbraw/zinc/58/57/89/524585789.db2.gz AOPPLYLDVDUOMX-QMMMGPOBSA-N 1 0 239.300 0.184 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H](CO)C1CCOCC1 ZINC000359880578 534806542 /nfs/dbraw/zinc/80/65/42/534806542.db2.gz VTYYQGLNYIVDHW-STQMWFEESA-N 1 0 243.347 0.691 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261541063 534822532 /nfs/dbraw/zinc/82/25/32/534822532.db2.gz JDLVMBNSSNKWRT-VXGBXAGGSA-N 1 0 237.347 0.466 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000367045563 534824266 /nfs/dbraw/zinc/82/42/66/534824266.db2.gz MYRPXRTXSRPTMZ-ZDUSSCGKSA-N 1 0 249.358 0.577 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cccc(OC)c1O ZINC000264255820 534843322 /nfs/dbraw/zinc/84/33/22/534843322.db2.gz IGUJPEARCUWBJJ-UHFFFAOYSA-N 1 0 235.287 0.991 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](O)c1cccc(F)c1 ZINC000261875327 534845010 /nfs/dbraw/zinc/84/50/10/534845010.db2.gz PVJLNRMDOBFZAR-LLVKDONJSA-N 1 0 237.278 0.949 20 30 BCEDRO C=CCNC(=[NH2+])NCCn1ccnc1C ZINC000261747738 534845367 /nfs/dbraw/zinc/84/53/67/534845367.db2.gz JFVQLIVHTYLKFB-UHFFFAOYSA-N 1 0 207.281 0.282 20 30 BCEDRO C=CC[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000335676081 534846847 /nfs/dbraw/zinc/84/68/47/534846847.db2.gz IFXZNMYRCDTWIM-LBPRGKRZSA-N 1 0 237.303 0.483 20 30 BCEDRO C=CCNC(=O)CN[C@@](C)(C[NH3+])C1CC1 ZINC000261580699 534859795 /nfs/dbraw/zinc/85/97/95/534859795.db2.gz NCNMYZFGXZMWRT-NSHDSACASA-N 1 0 211.309 0.006 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C ZINC000336764287 534859429 /nfs/dbraw/zinc/85/94/29/534859429.db2.gz QACQKQYECLTSPZ-ONGXEEELSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000371716992 534859494 /nfs/dbraw/zinc/85/94/94/534859494.db2.gz PYIFPLAKZMTORU-STQMWFEESA-N 1 0 238.331 0.836 20 30 BCEDRO C=CCOCC(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000347914147 534867186 /nfs/dbraw/zinc/86/71/86/534867186.db2.gz HCNYBMQHUASGRO-GFCCVEGCSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCOCC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000348764371 534868249 /nfs/dbraw/zinc/86/82/49/534868249.db2.gz PUHTZJSPWLMRJX-LBPRGKRZSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CCOCC(=O)NCC[NH+](CC)CC ZINC000355627704 534869902 /nfs/dbraw/zinc/86/99/02/534869902.db2.gz IBZFCOWGKVYCPK-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=CCOCC(=O)N[C@H]1C[C@@H]1C1CC[NH2+]CC1 ZINC000361110141 534870265 /nfs/dbraw/zinc/87/02/65/534870265.db2.gz OYFWAVXBQWSWAI-NEPJUHHUSA-N 1 0 238.331 0.693 20 30 BCEDRO C=CCOCC[N@@H+](CCC)CC(=O)N(C)C ZINC000293350248 534876917 /nfs/dbraw/zinc/87/69/17/534876917.db2.gz DPFPFKUAOVVIFD-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C=CCOCCC[N@@H+](C)[C@H]1COC[C@H]1O ZINC000352804078 534874302 /nfs/dbraw/zinc/87/43/02/534874302.db2.gz ZJLLPWCRFAMASN-WDEREUQCSA-N 1 0 215.293 0.271 20 30 BCEDRO C=CCOCC[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000339148032 534877002 /nfs/dbraw/zinc/87/70/02/534877002.db2.gz KGDAAPLPNZRCQP-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCOCCC[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000348195985 534875077 /nfs/dbraw/zinc/87/50/77/534875077.db2.gz ZYIDAAGPNHBRKJ-NWDGAFQWSA-N 1 0 231.336 0.643 20 30 BCEDRO C=CCOCCC[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000348195988 534875135 /nfs/dbraw/zinc/87/51/35/534875135.db2.gz ZYIDAAGPNHBRKJ-RYUDHWBXSA-N 1 0 231.336 0.643 20 30 BCEDRO C=CCOCC[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000339113568 534877270 /nfs/dbraw/zinc/87/72/70/534877270.db2.gz GEOFPIOSGINFQK-MNOVXSKESA-N 1 0 217.309 0.253 20 30 BCEDRO C=CCOCC[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000293752643 534878473 /nfs/dbraw/zinc/87/84/73/534878473.db2.gz IZCHGIWPAHKPIS-UHFFFAOYSA-N 1 0 243.303 0.189 20 30 BCEDRO C=CCOCC[NH+]1CCC(O)(COC)CC1 ZINC000339058648 534878618 /nfs/dbraw/zinc/87/86/18/534878618.db2.gz DJDTWMXHSXMZGB-UHFFFAOYSA-N 1 0 229.320 0.662 20 30 BCEDRO CC#CCCNC(=O)NCCOCC[NH+](C)C ZINC000471657968 526324398 /nfs/dbraw/zinc/32/43/98/526324398.db2.gz JISBCHHEDZOGKF-UHFFFAOYSA-N 1 0 241.335 0.277 20 30 BCEDRO C=CCNC(=O)C[NH2+]C/C=C/c1ccncc1 ZINC000487572749 526568626 /nfs/dbraw/zinc/56/86/26/526568626.db2.gz MDLGBYVUKHXUEC-ONEGZZNKSA-N 1 0 231.299 0.987 20 30 BCEDRO C=C(C)C[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000305195463 526606906 /nfs/dbraw/zinc/60/69/06/526606906.db2.gz DOHZGPGWKNEJQB-NSHDSACASA-N 1 0 227.304 0.808 20 30 BCEDRO C=CCNC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000307894491 526615028 /nfs/dbraw/zinc/61/50/28/526615028.db2.gz HETUBPXCGIXRPL-LURJTMIESA-N 1 0 225.214 0.751 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)CCN1C(=O)N[C@H](C)C1=O ZINC000491670217 526655197 /nfs/dbraw/zinc/65/51/97/526655197.db2.gz LVCPOSAJCRELCK-SECBINFHSA-N 1 0 237.303 0.270 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)CCOCC(=O)OCC ZINC000491570049 526655247 /nfs/dbraw/zinc/65/52/47/526655247.db2.gz ZBXFDHYPVLJBDF-UHFFFAOYSA-N 1 0 227.304 0.910 20 30 BCEDRO C#CCN(C(=O)NC[C@@H]([NH3+])CC)C1CC1 ZINC000491801729 526769323 /nfs/dbraw/zinc/76/93/23/526769323.db2.gz DKWXBPUCCDOBEV-VIFPVBQESA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCN(C(=O)N[C@@H](C)[C@H](C)[NH3+])C1CC1 ZINC000491730729 526770986 /nfs/dbraw/zinc/77/09/86/526770986.db2.gz DVPOYNODDZZFPX-IUCAKERBSA-N 1 0 209.293 0.529 20 30 BCEDRO C#CCN(C)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000491703936 526791634 /nfs/dbraw/zinc/79/16/34/526791634.db2.gz TTWQGNSSQCJCNN-GFCCVEGCSA-N 1 0 237.347 0.993 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H](C)CCC[NH3+] ZINC000491803386 526857269 /nfs/dbraw/zinc/85/72/69/526857269.db2.gz IWNWKXDAQAELNN-LBPRGKRZSA-N 1 0 235.331 0.782 20 30 BCEDRO C#CC[N@@H+](CCCS(=O)(=O)NC)C1CC1 ZINC000491765289 526900966 /nfs/dbraw/zinc/90/09/66/526900966.db2.gz FLFTXKBSLBESBA-UHFFFAOYSA-N 1 0 230.333 0.023 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)CCOCC)C1CC1 ZINC000491623109 526902789 /nfs/dbraw/zinc/90/27/89/526902789.db2.gz HWZGEEDDHNRFNO-LBPRGKRZSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](C[C@@H](O)CC)CC1 ZINC000491464241 526969368 /nfs/dbraw/zinc/96/93/68/526969368.db2.gz QVCQSUAUUJZOEC-LBPRGKRZSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](Cc2ccno2)CC1 ZINC000491067077 526970613 /nfs/dbraw/zinc/97/06/13/526970613.db2.gz GIJWEIYQTMTYSD-UHFFFAOYSA-N 1 0 247.298 0.636 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C[C@H](C)OC)C(C)C ZINC000491067084 526975388 /nfs/dbraw/zinc/97/53/88/526975388.db2.gz GJBOPVXZZVPDKH-LBPRGKRZSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(C)(OC)CC1 ZINC000491069826 526975529 /nfs/dbraw/zinc/97/55/29/526975529.db2.gz YTVSKHQHZSEWCW-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC([C@@H](C)O)CC1 ZINC000491067369 526975916 /nfs/dbraw/zinc/97/59/16/526975916.db2.gz HXURWULGSMABMT-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000491067939 526980647 /nfs/dbraw/zinc/98/06/47/526980647.db2.gz LSTWCQQKKOTDLU-GHMZBOCLSA-N 1 0 238.331 0.360 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC[C@@H]1CCOC1 ZINC000491645658 526981825 /nfs/dbraw/zinc/98/18/25/526981825.db2.gz PTDOTOKCBSWHFW-GFCCVEGCSA-N 1 0 238.331 0.532 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cc(C)nc(C)n1 ZINC000491735274 526983737 /nfs/dbraw/zinc/98/37/37/526983737.db2.gz JUUTXHNWTGOORU-UHFFFAOYSA-N 1 0 246.314 0.323 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCC[C@@H](O)C1 ZINC000491646211 526984217 /nfs/dbraw/zinc/98/42/17/526984217.db2.gz RUEKHNBKFPLHSM-NWDGAFQWSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000491719412 526987102 /nfs/dbraw/zinc/98/71/02/526987102.db2.gz ZVWNDOLUFFOSRQ-RYUDHWBXSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000491304180 527009771 /nfs/dbraw/zinc/00/97/71/527009771.db2.gz DQKOQKHFFQTPIU-ZJUUUORDSA-N 1 0 209.293 0.246 20 30 BCEDRO C#CCNC(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000491297623 527009796 /nfs/dbraw/zinc/00/97/96/527009796.db2.gz RJRVFPFCITXGJQ-UHFFFAOYSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000491338019 527010972 /nfs/dbraw/zinc/01/09/72/527010972.db2.gz FQOZHXLDYHJLDL-ZJUUUORDSA-N 1 0 209.293 0.436 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000491338018 527012013 /nfs/dbraw/zinc/01/20/13/527012013.db2.gz FQOZHXLDYHJLDL-VHSXEESVSA-N 1 0 209.293 0.436 20 30 BCEDRO C#CCNC(=O)[C@@]1(c2ccccc2)CC[NH2+]C1 ZINC000491675752 527024525 /nfs/dbraw/zinc/02/45/25/527024525.db2.gz XQGZRQFSABXQHG-AWEZNQCLSA-N 1 0 228.295 0.667 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(CCO)CC1 ZINC000401156868 527026322 /nfs/dbraw/zinc/02/63/22/527026322.db2.gz RMCHUIYSBBDBPL-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000309039801 527028229 /nfs/dbraw/zinc/02/82/29/527028229.db2.gz IZWMKLSKRPQJFO-VHSXEESVSA-N 1 0 208.305 0.903 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000487122071 527204927 /nfs/dbraw/zinc/20/49/27/527204927.db2.gz XWSKXFBBNSFDOP-MXWKQRLJSA-N 1 0 226.320 0.237 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@@H]([NH3+])C1CC1)C(C)C ZINC000491338863 527277248 /nfs/dbraw/zinc/27/72/48/527277248.db2.gz LYRCMXHTJCKMJI-GHMZBOCLSA-N 1 0 223.320 0.681 20 30 BCEDRO C=CCC[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000181954302 527326983 /nfs/dbraw/zinc/32/69/83/527326983.db2.gz HPURVVREMPASON-NSHDSACASA-N 1 0 226.320 0.823 20 30 BCEDRO C#C[C@H](CC)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491743818 527354720 /nfs/dbraw/zinc/35/47/20/527354720.db2.gz LEHRYGPGFVEWBB-GHMZBOCLSA-N 1 0 235.331 0.934 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21)C(C)C ZINC000491304439 527388599 /nfs/dbraw/zinc/38/85/99/527388599.db2.gz GBOBMCRSBSVGSB-WOPDTQHZSA-N 1 0 235.331 0.648 20 30 BCEDRO C#C[C@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)C(C)C ZINC000491440604 527392674 /nfs/dbraw/zinc/39/26/74/527392674.db2.gz PUCGZCJENQSUIV-RYUDHWBXSA-N 1 0 237.347 0.943 20 30 BCEDRO C#C[C@H](NC(=O)NCCC[NH2+]CC)C(C)C ZINC000491555157 527392748 /nfs/dbraw/zinc/39/27/48/527392748.db2.gz PCXAHMASDYXFBW-NSHDSACASA-N 1 0 225.336 0.943 20 30 BCEDRO C=C[C@@H](C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418293998 527404896 /nfs/dbraw/zinc/40/48/96/527404896.db2.gz FQKFSAQEANURAX-LLVKDONJSA-N 1 0 240.351 0.155 20 30 BCEDRO C=CCN(C)C(=O)NCCOCC[NH+](C)C ZINC000471659417 527562952 /nfs/dbraw/zinc/56/29/52/527562952.db2.gz QQJORYVKAQCKAP-UHFFFAOYSA-N 1 0 229.324 0.392 20 30 BCEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)[C@@H](C)C#N ZINC000488163290 527716296 /nfs/dbraw/zinc/71/62/96/527716296.db2.gz FEEYMWRKVNQYLS-QWRGUYRKSA-N 1 0 241.335 0.619 20 30 BCEDRO CC[N@H+](C)CCNc1cncc(C#N)n1 ZINC000401318915 527801945 /nfs/dbraw/zinc/80/19/45/527801945.db2.gz FOZIXIDAZYSRFC-UHFFFAOYSA-N 1 0 205.265 0.712 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCC[C@@H]1O ZINC000263181443 536520857 /nfs/dbraw/zinc/52/08/57/536520857.db2.gz UHDRFIYCGNILLO-BBBLOLIVSA-N 1 0 229.324 0.087 20 30 BCEDRO CCCNC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000303787215 528160680 /nfs/dbraw/zinc/16/06/80/528160680.db2.gz SHBIRSVZIOMFFT-UHFFFAOYSA-N 1 0 244.339 0.825 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892558607 582913825 /nfs/dbraw/zinc/91/38/25/582913825.db2.gz BUIMKZSVGACMAM-TXEJJXNPSA-N 1 0 233.315 0.392 20 30 BCEDRO CCO/C=C\C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000493188003 528519866 /nfs/dbraw/zinc/51/98/66/528519866.db2.gz LDMIKNFYMARRJG-WTKPLQERSA-N 1 0 237.303 0.641 20 30 BCEDRO CC[C@H](CC#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487117891 529299600 /nfs/dbraw/zinc/29/96/00/529299600.db2.gz AESKNRXOAJURLS-AXFHLTTASA-N 1 0 223.320 0.993 20 30 BCEDRO CC(C)CNC(=[NH2+])NCC1([S@@](C)=O)CCC1 ZINC000262811174 535064243 /nfs/dbraw/zinc/06/42/43/535064243.db2.gz OCXFOVBIKKUZAZ-MRXNPFEDSA-N 1 0 245.392 0.848 20 30 BCEDRO CC(C)CNC(=[NH2+])NC[C@]1(O)CCO[C@H]1C ZINC000261533948 535064632 /nfs/dbraw/zinc/06/46/32/535064632.db2.gz LZJIKXSGRSAPHU-GXSJLCMTSA-N 1 0 229.324 0.087 20 30 BCEDRO CC(C)(CO)[C@@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC000339726334 535172442 /nfs/dbraw/zinc/17/24/42/535172442.db2.gz UKFYBYNXVQLOKD-NSHDSACASA-N 1 0 239.319 0.013 20 30 BCEDRO CC(C)[C@@H](CCO)[NH2+]CCOCCC#N ZINC000339084168 535181051 /nfs/dbraw/zinc/18/10/51/535181051.db2.gz SFNMRXIIFLOFOH-LLVKDONJSA-N 1 0 214.309 0.913 20 30 BCEDRO CC[NH+]=C(NCCO)N1CC[C@]2(CCOC2)C1 ZINC000261954271 535261869 /nfs/dbraw/zinc/26/18/69/535261869.db2.gz IHIXEGHOYAVQIT-LBPRGKRZSA-N 1 0 241.335 0.057 20 30 BCEDRO CC1(C)CC[C@H]1NC(=[NH2+])N1CCOCC1 ZINC000263157956 535329072 /nfs/dbraw/zinc/32/90/72/535329072.db2.gz OAYGOPLBACHRFU-SECBINFHSA-N 1 0 211.309 0.822 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCn1ccnc1 ZINC000264090194 535385093 /nfs/dbraw/zinc/38/50/93/535385093.db2.gz KQAHFINZJJXWTD-UHFFFAOYSA-N 1 0 223.324 0.834 20 30 BCEDRO CCN(CC)C(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000261968060 535388543 /nfs/dbraw/zinc/38/85/43/535388543.db2.gz BZVCEOIVEMNFDQ-UHFFFAOYSA-N 1 0 249.318 0.677 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CCSC[C@H]1C#N ZINC000337474576 535491799 /nfs/dbraw/zinc/49/17/99/535491799.db2.gz SSCIOLUWUQBPKV-SNVBAGLBSA-N 1 0 241.360 0.796 20 30 BCEDRO CC[NH+](CC)CCCN(CC#N)CC(=O)OC ZINC000191530828 535503164 /nfs/dbraw/zinc/50/31/64/535503164.db2.gz VPEVQNWLPIUKKA-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NS(=O)(=O)[C@H](C)C#N)C1 ZINC000250188626 535582983 /nfs/dbraw/zinc/58/29/83/535582983.db2.gz ABOVDSSCWIIVIH-ZJUUUORDSA-N 1 0 245.348 0.302 20 30 BCEDRO CCS(=O)(=O)CCNC(=[NH+]C)N1CCCC1 ZINC000103338750 535627753 /nfs/dbraw/zinc/62/77/53/535627753.db2.gz MEFXEHREKSFXPH-UHFFFAOYSA-N 1 0 247.364 0.092 20 30 BCEDRO CC[NH+](CC)[C@@H](C)CNC(=O)c1cnnn1C ZINC000330376975 535637999 /nfs/dbraw/zinc/63/79/99/535637999.db2.gz PPOPBXZSPHNWEB-VIFPVBQESA-N 1 0 239.323 0.850 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](CC)CCOC ZINC000353473684 535747850 /nfs/dbraw/zinc/74/78/50/535747850.db2.gz TWLWARDCSGHCOO-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO CCNC(NCc1ccc(C(N)=O)o1)=[NH+]CC ZINC000267722307 535786800 /nfs/dbraw/zinc/78/68/00/535786800.db2.gz VCFSIOHTSAWBMJ-UHFFFAOYSA-N 1 0 238.291 0.454 20 30 BCEDRO CCNC(NCCc1cn[nH]c1)=[NH+]CC ZINC000290461230 535786927 /nfs/dbraw/zinc/78/69/27/535786927.db2.gz DNBAIWRVJNJBPJ-UHFFFAOYSA-N 1 0 209.297 0.527 20 30 BCEDRO CCNC(NCCn1ccnc1C)=[NH+]CC ZINC000264134289 535787003 /nfs/dbraw/zinc/78/70/03/535787003.db2.gz ZEVOMBBXTNFZSZ-UHFFFAOYSA-N 1 0 223.324 0.767 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNC(=O)CCCC#N ZINC000360359506 535970782 /nfs/dbraw/zinc/97/07/82/535970782.db2.gz AFIBHNGWZARKFO-LLVKDONJSA-N 1 0 227.308 0.109 20 30 BCEDRO CC[S@](=O)[C@H]1CCC[C@@H](NC(=[NH2+])NC)C1 ZINC000261842497 535982837 /nfs/dbraw/zinc/98/28/37/535982837.db2.gz WLLMKWJOAIRXKC-OLBFVZFUSA-N 1 0 231.365 0.600 20 30 BCEDRO CC[C@@](C)(O)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262424673 536001546 /nfs/dbraw/zinc/00/15/46/536001546.db2.gz CEQQJBPLXYGWSY-GXSJLCMTSA-N 1 0 229.324 0.183 20 30 BCEDRO CCc1cnccc1[C@@H](C)[NH2+]CC(=O)NCC#N ZINC000361119684 536096043 /nfs/dbraw/zinc/09/60/43/536096043.db2.gz LLMPAQWMAQAJBW-SNVBAGLBSA-N 1 0 246.314 0.934 20 30 BCEDRO CC[C@H](C)NC(NCc1nncn1C)=[NH+]C ZINC000263265219 536145970 /nfs/dbraw/zinc/14/59/70/536145970.db2.gz UVZRLTPPUJXIHV-QMMMGPOBSA-N 1 0 224.312 0.279 20 30 BCEDRO C[NH+]=C(NCc1noc(C2CC2)n1)NC1CC1 ZINC000261951698 536304237 /nfs/dbraw/zinc/30/42/37/536304237.db2.gz PWWJXJLGUWKMQX-UHFFFAOYSA-N 1 0 235.291 0.774 20 30 BCEDRO CNC(=[NH2+])NCc1ccnc(-n2cccn2)c1 ZINC000303254269 536305066 /nfs/dbraw/zinc/30/50/66/536305066.db2.gz DOSPSJGONSSLQE-UHFFFAOYSA-N 1 0 230.275 0.301 20 30 BCEDRO CNC(=[NH2+])NCc1cccnc1-n1ccnc1C ZINC000264065590 536305090 /nfs/dbraw/zinc/30/50/90/536305090.db2.gz BANLGYBPDDZNJD-UHFFFAOYSA-N 1 0 244.302 0.610 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)C[C@H](C#N)CCC#N ZINC000177043163 536344714 /nfs/dbraw/zinc/34/47/14/536344714.db2.gz VHSCISIHHAFASY-QWRGUYRKSA-N 1 0 236.319 0.744 20 30 BCEDRO CNC(=O)[C@@H]([NH2+]CCCSCC#N)C(C)C ZINC000183686886 536353340 /nfs/dbraw/zinc/35/33/40/536353340.db2.gz RLPAOFMNDLTQRT-JTQLQIEISA-N 1 0 243.376 0.993 20 30 BCEDRO CN1CCC[NH+]=C1NCC1(CO)CCC1 ZINC000263105220 536361134 /nfs/dbraw/zinc/36/11/34/536361134.db2.gz KNJITSCMCSMDPO-UHFFFAOYSA-N 1 0 211.309 0.430 20 30 BCEDRO CN1CCC[NH+]=C1NCC1(C#N)CCC1 ZINC000263117405 536361262 /nfs/dbraw/zinc/36/12/62/536361262.db2.gz LQISLXGWSDWQTG-UHFFFAOYSA-N 1 0 206.293 0.961 20 30 BCEDRO C[N@H+](CCOCCO)[C@H]1CC[C@H](C#N)C1 ZINC000339155322 536396883 /nfs/dbraw/zinc/39/68/83/536396883.db2.gz BRAGEZLWRMBMHH-QWRGUYRKSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000393843071 582929178 /nfs/dbraw/zinc/92/91/78/582929178.db2.gz KMNVYELCTFGABH-YUSALJHKSA-N 1 0 238.331 0.692 20 30 BCEDRO COCC1(C#N)CC[NH+](C[C@@H](C)O)CC1 ZINC000339175950 536801648 /nfs/dbraw/zinc/80/16/48/536801648.db2.gz YTSHNWMGZVVWQP-SNVBAGLBSA-N 1 0 212.293 0.619 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000263190209 536853171 /nfs/dbraw/zinc/85/31/71/536853171.db2.gz YDNNMLXMIXYFEK-BBBLOLIVSA-N 1 0 243.351 0.597 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000262379871 536853571 /nfs/dbraw/zinc/85/35/71/536853571.db2.gz GSMXTPMYMJQABS-SKDRFNHKSA-N 1 0 243.351 0.741 20 30 BCEDRO COc1cccc(CNC2=[NH+]C[C@H](C)N2)n1 ZINC000262631311 537097169 /nfs/dbraw/zinc/09/71/69/537097169.db2.gz FUVHMHNPTXYBQS-QMMMGPOBSA-N 1 0 220.276 0.528 20 30 BCEDRO C#CCOCC[N@@H+]1CCS[C@H]2COCC[C@@H]21 ZINC000851815899 582968979 /nfs/dbraw/zinc/96/89/79/582968979.db2.gz AABZPBBQPJUCPF-RYUDHWBXSA-N 1 0 241.356 0.843 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCN1C(=O)N[C@@H](C)C1=O ZINC000852103772 583001123 /nfs/dbraw/zinc/00/11/23/583001123.db2.gz QPIPQFWSQSWRFM-CABZTGNLSA-N 1 0 237.303 0.318 20 30 BCEDRO C#C[C@H]1COCCN1C[C@@H]1COC(C)(C)O1 ZINC000852163330 583008284 /nfs/dbraw/zinc/00/82/84/583008284.db2.gz YXCKGHQQFMHYLU-WDEREUQCSA-N 1 0 225.288 0.472 20 30 BCEDRO COCC[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852828080 583018568 /nfs/dbraw/zinc/01/85/68/583018568.db2.gz DQJBZUXXDOHWMQ-NSHDSACASA-N 1 0 238.331 0.531 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)COC(C)=O ZINC000893285717 583086221 /nfs/dbraw/zinc/08/62/21/583086221.db2.gz ZFFHFVRCMFXISA-ONGXEEELSA-N 1 0 215.293 0.712 20 30 BCEDRO C[C@H]1CC[N@H+](CCNC(=O)NCCCC#N)C1 ZINC000894130520 583312933 /nfs/dbraw/zinc/31/29/33/583312933.db2.gz HCVWQOMYLVGHOG-NSHDSACASA-N 1 0 238.335 0.931 20 30 BCEDRO CNC(NCC1(O)CCC(F)(F)CC1)=[NH+]C ZINC000853013427 588715623 /nfs/dbraw/zinc/71/56/23/588715623.db2.gz TXOJKPCSZKEVTO-UHFFFAOYSA-N 1 0 235.278 0.722 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCN(CCC)C1 ZINC000853114595 588721590 /nfs/dbraw/zinc/72/15/90/588721590.db2.gz XOGZNVYWZHCHQL-GFCCVEGCSA-N 1 0 237.347 0.200 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1CCC(O)CC1 ZINC000853114549 588721637 /nfs/dbraw/zinc/72/16/37/588721637.db2.gz WEUAAHYJTZSSKU-UHFFFAOYSA-N 1 0 238.331 0.267 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CSC)C1CCOCC1 ZINC000853114976 588721640 /nfs/dbraw/zinc/72/16/40/588721640.db2.gz BYGNYXLMPQYLTM-NEPJUHHUSA-N 1 0 243.372 0.728 20 30 BCEDRO C#CCC[NH+]1CCN(c2ccc(C)nn2)CC1 ZINC000853234732 588727975 /nfs/dbraw/zinc/72/79/75/588727975.db2.gz IVSYSNSKUTZGAZ-UHFFFAOYSA-N 1 0 230.315 0.930 20 30 BCEDRO C[C@@H](CCNC(=O)NCCC#N)[NH+](C)C ZINC000854025047 588771920 /nfs/dbraw/zinc/77/19/20/588771920.db2.gz GRPRAGIRXQNQJK-VIFPVBQESA-N 1 0 212.297 0.539 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000854074888 588772656 /nfs/dbraw/zinc/77/26/56/588772656.db2.gz VNCMTBCRJQMERA-JQWIXIFHSA-N 1 0 241.335 0.010 20 30 BCEDRO C=CCONC(=O)NCC[C@H](C)[NH+](C)C ZINC000854117369 588774894 /nfs/dbraw/zinc/77/48/94/588774894.db2.gz DGOYHKSDTXCJDL-VIFPVBQESA-N 1 0 215.297 0.743 20 30 BCEDRO CCCCCCC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000854113156 588774898 /nfs/dbraw/zinc/77/48/98/588774898.db2.gz KAYRRRQZBMEKJC-MNOVXSKESA-N 1 0 228.336 0.877 20 30 BCEDRO CCN1CCN(C(=O)C#CC(C)C)CC1 ZINC000854122209 588775488 /nfs/dbraw/zinc/77/54/88/588775488.db2.gz UQDJRKAXRNUDTF-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCCO ZINC000111997837 588777953 /nfs/dbraw/zinc/77/79/53/588777953.db2.gz HEEJNZJQPVERPC-VIFPVBQESA-N 1 0 215.297 0.142 20 30 BCEDRO C=C[C@H](C)ONC(=O)N(C)CC1C[NH+](C)C1 ZINC000854219563 588779577 /nfs/dbraw/zinc/77/95/77/588779577.db2.gz IKIZIGYTPKXZKT-VIFPVBQESA-N 1 0 227.308 0.696 20 30 BCEDRO C=C[C@@H](C)ONC(=O)N(C)CC1C[NH+](C)C1 ZINC000854219562 588780099 /nfs/dbraw/zinc/78/00/99/588780099.db2.gz IKIZIGYTPKXZKT-SECBINFHSA-N 1 0 227.308 0.696 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1COCC1(C)C ZINC000854327628 588783057 /nfs/dbraw/zinc/78/30/57/588783057.db2.gz SRPMVZJUXGUGAV-UHFFFAOYSA-N 1 0 212.293 0.699 20 30 BCEDRO C#CC(=O)N1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000854332646 588784546 /nfs/dbraw/zinc/78/45/46/588784546.db2.gz IHCPLZMWIWACKB-GFCCVEGCSA-N 1 0 236.315 0.333 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000854525258 588790294 /nfs/dbraw/zinc/79/02/94/588790294.db2.gz DOCZYKCLUGTGEN-MDZLAQPJSA-N 1 0 238.331 0.334 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000854545638 588792737 /nfs/dbraw/zinc/79/27/37/588792737.db2.gz MZCSUYWXGOBUFD-MNOVXSKESA-N 1 0 226.320 0.073 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N1Cc2c[nH]nc2C1 ZINC000854583513 588795583 /nfs/dbraw/zinc/79/55/83/588795583.db2.gz PPHSNCYHDIVXGX-LBPRGKRZSA-N 1 0 244.298 0.350 20 30 BCEDRO C#CCCCC(=O)N1CC(C[NH+](C)C)C1 ZINC000854724721 588804428 /nfs/dbraw/zinc/80/44/28/588804428.db2.gz SLKBOCZMBVEAPQ-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1([NH+](C)C)CC1 ZINC000854663055 588799907 /nfs/dbraw/zinc/79/99/07/588799907.db2.gz UBTWLJKYQKELLY-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO C=C(CO)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000854734871 588804591 /nfs/dbraw/zinc/80/45/91/588804591.db2.gz FJHRHXLSQXESTG-ZDUSSCGKSA-N 1 0 238.331 0.479 20 30 BCEDRO N#C[C@H](CO)NC(=O)CCCC[NH+]1CCCC1 ZINC000854873483 588815110 /nfs/dbraw/zinc/81/51/10/588815110.db2.gz ZKFYLAZMGIYBLE-LLVKDONJSA-N 1 0 239.319 0.253 20 30 BCEDRO C#C[C@H]1CCCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000855047791 588821526 /nfs/dbraw/zinc/82/15/26/588821526.db2.gz IZUNUYAAJZCQBR-NSHDSACASA-N 1 0 220.316 0.952 20 30 BCEDRO CC#CC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855284992 588827208 /nfs/dbraw/zinc/82/72/08/588827208.db2.gz ACKXVUZQQPJHSG-SNVBAGLBSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[C@@H]1CCN1C(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000890548267 582470041 /nfs/dbraw/zinc/47/00/41/582470041.db2.gz OQLQNBBYMJTGKL-MDZLAQPJSA-N 1 0 238.331 0.619 20 30 BCEDRO C=CC[C@@H]1CCN1C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000890555241 582475057 /nfs/dbraw/zinc/47/50/57/582475057.db2.gz GIVZLIUIPMETRA-OLZOCXBDSA-N 1 0 249.358 0.553 20 30 BCEDRO C=CCNC(=O)[C@H](C)N(C)CC(C)(C)[NH3+] ZINC000662297361 582485770 /nfs/dbraw/zinc/48/57/70/582485770.db2.gz LDBPECYRDBBMMV-VIFPVBQESA-N 1 0 213.325 0.346 20 30 BCEDRO C#C[C@H]1CCCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000890657757 582495416 /nfs/dbraw/zinc/49/54/16/582495416.db2.gz WVGSIQAJODEUIN-MNOVXSKESA-N 1 0 208.305 0.951 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](CC)OC[C@@H]1C ZINC000844391198 582581049 /nfs/dbraw/zinc/58/10/49/582581049.db2.gz NVBAJOVHNVCXHD-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@H](C)OC ZINC000804838126 582588923 /nfs/dbraw/zinc/58/89/23/582588923.db2.gz QSTHURCGNMGLHJ-JTQLQIEISA-N 1 0 214.309 0.598 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H](OCC)C1 ZINC000855521568 588838393 /nfs/dbraw/zinc/83/83/93/588838393.db2.gz AZDFJPXIYJRPLF-XYPYZODXSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCOC1 ZINC000113427453 588838945 /nfs/dbraw/zinc/83/89/45/588838945.db2.gz NHXGSJKSFAIZEO-NSHDSACASA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCCCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891672574 582708428 /nfs/dbraw/zinc/70/84/28/582708428.db2.gz RDQJQJPXDUOCOO-QWRGUYRKSA-N 1 0 221.304 0.546 20 30 BCEDRO C=C(C)COCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891683069 582710144 /nfs/dbraw/zinc/71/01/44/582710144.db2.gz QEJPUWIFTPYWKO-QWRGUYRKSA-N 1 0 241.335 0.710 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891811767 582725063 /nfs/dbraw/zinc/72/50/63/582725063.db2.gz JLBNSIIWICIFRF-ZJUUUORDSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCCCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891848367 582729697 /nfs/dbraw/zinc/72/96/97/582729697.db2.gz LBACYGCAGSHCLC-WCQYABFASA-N 1 0 235.331 0.651 20 30 BCEDRO C#CCCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891848512 582729876 /nfs/dbraw/zinc/72/98/76/582729876.db2.gz MPROTYFDBXOEIG-MGCOHNPYSA-N 1 0 209.293 0.436 20 30 BCEDRO COC(=O)c1cc(C=NNC2=[NH+]C[C@H](C)N2)c[nH]1 ZINC000779791476 582730401 /nfs/dbraw/zinc/73/04/01/582730401.db2.gz JNYRORUOVMRKKZ-ZETCQYMHSA-N 1 0 249.274 0.073 20 30 BCEDRO N#CCC1(CNC(=O)NC[C@H]2C[C@H]([NH3+])C2)CC1 ZINC000891870118 582733193 /nfs/dbraw/zinc/73/31/93/582733193.db2.gz PIZRDUZHGLDDSN-MGCOHNPYSA-N 1 0 236.319 0.717 20 30 BCEDRO N#CCC1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891870439 582733247 /nfs/dbraw/zinc/73/32/47/582733247.db2.gz RPPQJGFROFUGQU-UWVGGRQHSA-N 1 0 234.303 0.436 20 30 BCEDRO N#CC1(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@H]32)CC1 ZINC000891876993 582733751 /nfs/dbraw/zinc/73/37/51/582733751.db2.gz UQBMTFFDJGFLFX-WDEREUQCSA-N 1 0 248.330 0.826 20 30 BCEDRO Cc1nn(C)c(C)c1CCCNC1=[NH+]C[C@H](C)N1 ZINC000849015705 582826589 /nfs/dbraw/zinc/82/65/89/582826589.db2.gz LPMUGXAHKKDRFX-VIFPVBQESA-N 1 0 249.362 0.907 20 30 BCEDRO CNC(N[C@@H](C)CCC(=O)OC(C)C)=[NH+]C ZINC000849024661 582830473 /nfs/dbraw/zinc/83/04/73/582830473.db2.gz XSGAQEWWGCROOL-VIFPVBQESA-N 1 0 229.324 0.902 20 30 BCEDRO CNC(NCCC1(COC)CCC1)=[NH+]C ZINC000849031562 582834069 /nfs/dbraw/zinc/83/40/69/582834069.db2.gz SZUDWUSCEBMTAC-UHFFFAOYSA-N 1 0 213.325 0.988 20 30 BCEDRO C#CCC[NH+]1CCN(c2cc(=O)[nH]c(C)n2)CC1 ZINC000892314105 582837620 /nfs/dbraw/zinc/83/76/20/582837620.db2.gz JHGCKXRNNGEXDT-UHFFFAOYSA-N 1 0 246.314 0.636 20 30 BCEDRO C=CCCONC(=O)C1CC[NH+](C)CC1 ZINC000856032716 588856911 /nfs/dbraw/zinc/85/69/11/588856911.db2.gz UGONAXHZGFRAKF-UHFFFAOYSA-N 1 0 212.293 0.952 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)[C@@H](C)C#N ZINC000856074576 588859678 /nfs/dbraw/zinc/85/96/78/588859678.db2.gz ARPKGGCGZNWPOR-JTQLQIEISA-N 1 0 209.293 0.865 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892434948 582886887 /nfs/dbraw/zinc/88/68/87/582886887.db2.gz VWJNKWMSQYDMBC-XYPYZODXSA-N 1 0 223.320 0.779 20 30 BCEDRO C#C[C@@H](NC(=O)C[NH+](C)C)C1CCOCC1 ZINC000856113989 588860925 /nfs/dbraw/zinc/86/09/25/588860925.db2.gz VGUJNROERQGCTF-LLVKDONJSA-N 1 0 224.304 0.093 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1([C@@H](C)O)CC1 ZINC000856129502 588861842 /nfs/dbraw/zinc/86/18/42/588861842.db2.gz YXJQHUNSQQUTQL-SECBINFHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892557210 582912330 /nfs/dbraw/zinc/91/23/30/582912330.db2.gz OFPRGMVJDLVUGA-MXWKQRLJSA-N 1 0 241.335 0.208 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892565424 582915526 /nfs/dbraw/zinc/91/55/26/582915526.db2.gz DDSSWXHHDLHNOL-NHCYSSNCSA-N 1 0 236.319 0.669 20 30 BCEDRO N#C[C@]1(F)CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892573142 582918500 /nfs/dbraw/zinc/91/85/00/582918500.db2.gz WVFFLHVTTCEOBT-FXPVBKGRSA-N 1 0 240.282 0.371 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2COC[C@@H]2C1 ZINC000856146531 588862742 /nfs/dbraw/zinc/86/27/42/588862742.db2.gz HKXVTBOKKRACFR-NEPJUHHUSA-N 1 0 238.331 0.599 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[C@](C)(CO)C1 ZINC000856251556 588865428 /nfs/dbraw/zinc/86/54/28/588865428.db2.gz PLGZSBRZQWJTDB-YPMHNXCESA-N 1 0 240.347 0.581 20 30 BCEDRO CC#CC(=O)N1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000856254761 588865604 /nfs/dbraw/zinc/86/56/04/588865604.db2.gz ZDHHWJLSBISQDB-GFCCVEGCSA-N 1 0 236.315 0.067 20 30 BCEDRO CC#CC(=O)N1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000856254762 588865627 /nfs/dbraw/zinc/86/56/27/588865627.db2.gz ZDHHWJLSBISQDB-LBPRGKRZSA-N 1 0 236.315 0.067 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000851911525 582979812 /nfs/dbraw/zinc/97/98/12/582979812.db2.gz XCLGNYBVOWKUTP-GFCCVEGCSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CCCN(CCOC)C(=O)[C@@H](CC)[NH+](C)C ZINC000856388449 588871106 /nfs/dbraw/zinc/87/11/06/588871106.db2.gz JFICOUGNYLCONU-GFCCVEGCSA-N 1 0 240.347 0.825 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@@H]1COC(C)(C)O1 ZINC000852163327 583008815 /nfs/dbraw/zinc/00/88/15/583008815.db2.gz YXCKGHQQFMHYLU-GHMZBOCLSA-N 1 0 225.288 0.472 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC000856408913 588871870 /nfs/dbraw/zinc/87/18/70/588871870.db2.gz XIJXKHCGYJNYQV-QJPTWQEYSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852632958 583015127 /nfs/dbraw/zinc/01/51/27/583015127.db2.gz AATBCWQWCUDJDJ-GHMZBOCLSA-N 1 0 206.289 0.468 20 30 BCEDRO C#CC(=O)N1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000856427901 588872472 /nfs/dbraw/zinc/87/24/72/588872472.db2.gz JJCZOJKEYQGIJA-NSHDSACASA-N 1 0 224.304 0.189 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)COC(C)=O ZINC000892994754 583026650 /nfs/dbraw/zinc/02/66/50/583026650.db2.gz YOMNXOUBIDWTGR-SECBINFHSA-N 1 0 215.318 0.894 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853111536 583028434 /nfs/dbraw/zinc/02/84/34/583028434.db2.gz XLIJQQRDEQVDGY-WCQYABFASA-N 1 0 236.315 0.889 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000856736282 588875479 /nfs/dbraw/zinc/87/54/79/588875479.db2.gz GFWPQQUGPQYPEQ-GHMZBOCLSA-N 1 0 226.320 0.648 20 30 BCEDRO C#C[C@@H]([NH2+]CCn1ccccc1=O)[C@@H]1CCCO1 ZINC000775792004 583104449 /nfs/dbraw/zinc/10/44/49/583104449.db2.gz PNGSUVCXERFBJB-OLZOCXBDSA-N 1 0 246.310 0.619 20 30 BCEDRO CCOCCCNC(=[NH2+])N[C@@H](C)COC ZINC000104153456 583110840 /nfs/dbraw/zinc/11/08/40/583110840.db2.gz BONTXMWWCFUXDC-VIFPVBQESA-N 1 0 217.313 0.352 20 30 BCEDRO C#CC[NH+]1CCC([C@@H](O)c2ccnn2C)CC1 ZINC000856803891 588878522 /nfs/dbraw/zinc/87/85/22/588878522.db2.gz JXOOJZSKGBCAHY-CYBMUJFWSA-N 1 0 233.315 0.799 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)c2ccnc(C#N)c2)C1 ZINC000857227921 583135252 /nfs/dbraw/zinc/13/52/52/583135252.db2.gz BFUMWVUIVVGBOF-UHFFFAOYSA-N 1 0 244.298 0.776 20 30 BCEDRO COCCOC[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000893544429 583160108 /nfs/dbraw/zinc/16/01/08/583160108.db2.gz KLVTXACTUQWLML-NXEZZACHSA-N 1 0 200.282 0.787 20 30 BCEDRO COCCOC[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000893544431 583160002 /nfs/dbraw/zinc/16/00/02/583160002.db2.gz KLVTXACTUQWLML-VHSXEESVSA-N 1 0 200.282 0.787 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)COC(C)=O)[C@@H]1CCCO1 ZINC000893677946 583195087 /nfs/dbraw/zinc/19/50/87/583195087.db2.gz YJOICQIJAUALHW-USWWRNFRSA-N 1 0 225.288 0.708 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)NCc1ccc(C#N)cn1 ZINC000857102502 588887687 /nfs/dbraw/zinc/88/76/87/588887687.db2.gz CMTVNWQISDEYGI-VIFPVBQESA-N 1 0 247.302 0.490 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NCC[C@H](C)[NH3+] ZINC000857110416 588889096 /nfs/dbraw/zinc/88/90/96/588889096.db2.gz RWLRSDKWLMEXKF-VHSXEESVSA-N 1 0 229.324 0.350 20 30 BCEDRO C#CC[N@@H+](C)CCCNc1ccnc(COC)n1 ZINC000893989943 583270307 /nfs/dbraw/zinc/27/03/07/583270307.db2.gz BLGWYUWIGGRWTB-UHFFFAOYSA-N 1 0 248.330 0.990 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000857182630 588891835 /nfs/dbraw/zinc/89/18/35/588891835.db2.gz ZCCSKUYONYHUAI-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]C[C@@H](C)N2)on1 ZINC000857212054 588894110 /nfs/dbraw/zinc/89/41/10/588894110.db2.gz QRSUZYWPKOVFTN-SSDOTTSWSA-N 1 0 207.237 0.254 20 30 BCEDRO CC(=NN[C@@H](C)CO)C1CC[NH+](C)CC1 ZINC000814864780 583379612 /nfs/dbraw/zinc/37/96/12/583379612.db2.gz IIACSTNBONAEQJ-VIFPVBQESA-N 1 0 213.325 0.675 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC1CC([NH+](C)C)C1 ZINC000857228124 588896316 /nfs/dbraw/zinc/89/63/16/588896316.db2.gz YZPNQLGJCYBVRZ-WHXUTIOJSA-N 1 0 224.304 0.234 20 30 BCEDRO C[NH+](C)CCNC(=S)N1CCC(C#N)CC1 ZINC000140514195 583447089 /nfs/dbraw/zinc/44/70/89/583447089.db2.gz YNZXRJZHNWOYCP-UHFFFAOYSA-N 1 0 240.376 0.658 20 30 BCEDRO C=CCOCC(=O)N1CCC12CC[NH+](C)CC2 ZINC000748325289 583468062 /nfs/dbraw/zinc/46/80/62/583468062.db2.gz JCEDFYFMOMGRRQ-UHFFFAOYSA-N 1 0 238.331 0.886 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894573581 583487124 /nfs/dbraw/zinc/48/71/24/583487124.db2.gz FBKSGQPEMXEMDR-XHNCKOQMSA-N 1 0 231.242 0.994 20 30 BCEDRO C#C[C@H](C)[NH2+]C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894737543 583514850 /nfs/dbraw/zinc/51/48/50/583514850.db2.gz BXJJHFILVLPORF-XLPZGREQSA-N 1 0 217.215 0.652 20 30 BCEDRO C#CC[C@H](CCOC)Nc1cc[nH+]cc1CO ZINC000894828583 583527175 /nfs/dbraw/zinc/52/71/75/583527175.db2.gz QQCGEHOOADCNFX-GFCCVEGCSA-N 1 0 234.299 0.836 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1cccc(C#N)n1 ZINC000894863509 583535892 /nfs/dbraw/zinc/53/58/92/583535892.db2.gz GQODIGRSASQFBR-UHFFFAOYSA-N 1 0 242.326 0.998 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@H]2COCO2)o1 ZINC000894871382 583539798 /nfs/dbraw/zinc/53/97/98/583539798.db2.gz CUXSSQKDHKRYDU-JTQLQIEISA-N 1 0 208.217 0.614 20 30 BCEDRO N#Cc1cnnc(N[C@@H]2Cc3cncn3C2)c1 ZINC000894996664 583566748 /nfs/dbraw/zinc/56/67/48/583566748.db2.gz NXWKJNYDLXWVFD-SECBINFHSA-N 1 0 226.243 0.582 20 30 BCEDRO CCC[C@@H]1CN(c2nccnc2C#N)CC[NH2+]1 ZINC000895057675 583575207 /nfs/dbraw/zinc/57/52/07/583575207.db2.gz HCJFKYIUIFWHAQ-SNVBAGLBSA-N 1 0 231.303 0.927 20 30 BCEDRO CCC[C@H]1CN(c2ncncc2C#N)CC[NH2+]1 ZINC000895058468 583575825 /nfs/dbraw/zinc/57/58/25/583575825.db2.gz LOYJUXQUIIOJHX-NSHDSACASA-N 1 0 231.303 0.927 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]CCC(C)(C)C(=O)OC ZINC000895097697 583588248 /nfs/dbraw/zinc/58/82/48/583588248.db2.gz VPQUMNKSVGFXRS-NSHDSACASA-N 1 0 241.331 0.940 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1ocnc1C ZINC000895103547 583589199 /nfs/dbraw/zinc/58/91/99/583589199.db2.gz XKROLWFKLHVDHM-JTQLQIEISA-N 1 0 208.261 0.847 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc(OC)cn1 ZINC000895132512 583601237 /nfs/dbraw/zinc/60/12/37/583601237.db2.gz UFUXPBODMMIDAP-LBPRGKRZSA-N 1 0 234.299 0.954 20 30 BCEDRO COCC1(C[NH2+][C@@H]2CCCN(O)C2=O)CCC1 ZINC000895157077 583607915 /nfs/dbraw/zinc/60/79/15/583607915.db2.gz MJIPABVRTBPWGU-SNVBAGLBSA-N 1 0 242.319 0.773 20 30 BCEDRO CCC[C@@H](C[NH2+][C@H]1CCCN(O)C1=O)OC ZINC000895158626 583608388 /nfs/dbraw/zinc/60/83/88/583608388.db2.gz LEJPLODASFIIOS-UWVGGRQHSA-N 1 0 230.308 0.771 20 30 BCEDRO CC[C@@](C)(C[NH2+][C@H]1CCCN(O)C1=O)OC ZINC000895159088 583608424 /nfs/dbraw/zinc/60/84/24/583608424.db2.gz SEPAAECJJPZKSF-ONGXEEELSA-N 1 0 230.308 0.771 20 30 BCEDRO O=C1[C@H]([NH2+]CCC[C@@H]2CCO2)CCCN1O ZINC000895158844 583608504 /nfs/dbraw/zinc/60/85/04/583608504.db2.gz PIHXZSCDFASPRF-NXEZZACHSA-N 1 0 228.292 0.525 20 30 BCEDRO COC[C@H](C)C[NH2+][C@H]1CCCN(O)C1=O ZINC000895159527 583608966 /nfs/dbraw/zinc/60/89/66/583608966.db2.gz HEZVOSWJGUQASA-BDAKNGLRSA-N 1 0 216.281 0.239 20 30 BCEDRO CC[C@@H](COC)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160212 583608990 /nfs/dbraw/zinc/60/89/90/583608990.db2.gz KWVNVALXWFFQEN-DTWKUNHWSA-N 1 0 216.281 0.381 20 30 BCEDRO COCC(C)(C)C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895161726 583610281 /nfs/dbraw/zinc/61/02/81/583610281.db2.gz UFVFGBKPCHEZHL-SECBINFHSA-N 1 0 230.308 0.629 20 30 BCEDRO O=C1[C@@H]([NH2+]C[C@H]2CCC=CO2)CCCN1O ZINC000895161854 583610395 /nfs/dbraw/zinc/61/03/95/583610395.db2.gz VBOXHBSNPSVUBL-ZJUUUORDSA-N 1 0 226.276 0.649 20 30 BCEDRO CC[NH+]1CCC(N[C@@H]2CCCN(O)C2=O)CC1 ZINC000895162421 583610882 /nfs/dbraw/zinc/61/08/82/583610882.db2.gz ZFIFQFKHJMFVLJ-LLVKDONJSA-N 1 0 241.335 0.441 20 30 BCEDRO O=C1[C@@H]([NH2+][C@@H]2CCCSC2)CCCN1O ZINC000895163025 583611113 /nfs/dbraw/zinc/61/11/13/583611113.db2.gz PMZABBGCRKUPAM-BDAKNGLRSA-N 1 0 230.333 0.852 20 30 BCEDRO CCOC[C@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895162913 583611144 /nfs/dbraw/zinc/61/11/44/583611144.db2.gz PJGYXOOFXDXBIS-IUCAKERBSA-N 1 0 216.281 0.381 20 30 BCEDRO CC1(C)OC[C@H](C[NH2+][C@H]2CCCN(O)C2=O)O1 ZINC000895196756 583622913 /nfs/dbraw/zinc/62/29/13/583622913.db2.gz MPZKPJHUHNQRAM-IUCAKERBSA-N 1 0 244.291 0.108 20 30 BCEDRO COCCOC[C@@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895196276 583623109 /nfs/dbraw/zinc/62/31/09/583623109.db2.gz JTGRRVZDVVMQAI-NXEZZACHSA-N 1 0 246.307 0.008 20 30 BCEDRO Cn1ccnc1C=NNCC[NH+]1CCCCC1 ZINC000727255632 583624963 /nfs/dbraw/zinc/62/49/63/583624963.db2.gz QZLGJPCYRUJLBN-UHFFFAOYSA-N 1 0 235.335 0.830 20 30 BCEDRO C#C[C@H](NC(=O)N(C)CC[NH2+]C)[C@@H]1CCCO1 ZINC000841882088 583626903 /nfs/dbraw/zinc/62/69/03/583626903.db2.gz WCXPJNLCFUVHBN-QWRGUYRKSA-N 1 0 239.319 0.028 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000895248540 583631868 /nfs/dbraw/zinc/63/18/68/583631868.db2.gz MIUFOUZZLXMEND-ZJUUUORDSA-N 1 0 225.292 0.450 20 30 BCEDRO CC1(C)CNC(=O)[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000895322698 583649975 /nfs/dbraw/zinc/64/99/75/583649975.db2.gz FFKCARLFJAWCAX-GUBZILKMSA-N 1 0 221.304 0.793 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000895339828 583654316 /nfs/dbraw/zinc/65/43/16/583654316.db2.gz AIWWQCAXDRTGFR-GJMOJQLCSA-N 1 0 235.230 0.177 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1cnc[nH]1 ZINC000895416364 583667357 /nfs/dbraw/zinc/66/73/57/583667357.db2.gz VFBUQMUZWJHERC-SNVBAGLBSA-N 1 0 207.277 0.928 20 30 BCEDRO C#C[C@@H]([NH2+][C@@H](C)CCO)C1CCOCC1 ZINC000895436199 583674481 /nfs/dbraw/zinc/67/44/81/583674481.db2.gz QDCFOJQHCOUVIU-CMPLNLGQSA-N 1 0 211.305 0.775 20 30 BCEDRO C=C(C)CONC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000895579369 583694740 /nfs/dbraw/zinc/69/47/40/583694740.db2.gz QEMRXBRPPGLZDT-GHMZBOCLSA-N 1 0 239.319 0.840 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000895679569 583704931 /nfs/dbraw/zinc/70/49/31/583704931.db2.gz QOFFGMUIIFQHBS-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CCC12CC[NH+](C)CC2 ZINC000895679446 583705170 /nfs/dbraw/zinc/70/51/70/583705170.db2.gz NOEWVQDQPUGEQZ-NSHDSACASA-N 1 0 235.331 0.888 20 30 BCEDRO O[C@H]1CCN(CC[NH2+]CC#Cc2ccccc2)C1 ZINC000895673218 583707053 /nfs/dbraw/zinc/70/70/53/583707053.db2.gz JLVSGLJVBLMGEF-HNNXBMFYSA-N 1 0 244.338 0.694 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCCNC(=O)C2)C1 ZINC000895748428 583717473 /nfs/dbraw/zinc/71/74/73/583717473.db2.gz OOKAVZVEUJXAHF-STQMWFEESA-N 1 0 249.358 0.342 20 30 BCEDRO C[C@H]1[C@H](Nc2c(C#N)cnn2C)CC[N@@H+]1C ZINC000895736509 583718308 /nfs/dbraw/zinc/71/83/08/583718308.db2.gz JWKFQFNTCQTUAE-WCBMZHEXSA-N 1 0 219.292 0.796 20 30 BCEDRO C#CC[NH+]1CCC(Nc2cc(C#N)ncn2)CC1 ZINC000895808614 583729556 /nfs/dbraw/zinc/72/95/56/583729556.db2.gz QJTNRDTYTMDYHI-UHFFFAOYSA-N 1 0 241.298 0.858 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCn2cncc2C1 ZINC000857945173 588925012 /nfs/dbraw/zinc/92/50/12/588925012.db2.gz SABLYFMQGAEJDH-LLVKDONJSA-N 1 0 248.330 0.432 20 30 BCEDRO C#CCSCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000895834210 583735516 /nfs/dbraw/zinc/73/55/16/583735516.db2.gz HLNLNITYGOAIHF-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000895962699 583751608 /nfs/dbraw/zinc/75/16/08/583751608.db2.gz ATZHQMZPNDNFGG-ZSVAQUKISA-N 1 0 223.316 0.918 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@H]1COC2(CCC2)C1 ZINC000895964910 583754085 /nfs/dbraw/zinc/75/40/85/583754085.db2.gz PXPQOIDAFKKYFD-WDEREUQCSA-N 1 0 209.289 0.672 20 30 BCEDRO C[C@H](CC#N)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895982718 583758157 /nfs/dbraw/zinc/75/81/57/583758157.db2.gz PDOHPJINUUBVQU-KOLCDFICSA-N 1 0 237.303 0.125 20 30 BCEDRO CC1(C)[C@@H]([NH2+][C@H]2CC[C@H](C#N)C2)CS1(=O)=O ZINC000895982811 583758215 /nfs/dbraw/zinc/75/82/15/583758215.db2.gz FZZCXYQHWFFRGV-GUBZILKMSA-N 1 0 242.344 0.844 20 30 BCEDRO C[C@H](CC#N)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895982719 583758382 /nfs/dbraw/zinc/75/83/82/583758382.db2.gz PDOHPJINUUBVQU-MWLCHTKSSA-N 1 0 237.303 0.125 20 30 BCEDRO C#CCSCC(=O)NCC[N@@H+](C)CCOC ZINC000896096828 583770210 /nfs/dbraw/zinc/77/02/10/583770210.db2.gz IITWGVGSZUGNHM-UHFFFAOYSA-N 1 0 244.360 0.047 20 30 BCEDRO CCO[C@H](CNc1cc(C#N)cnn1)C[NH+](C)C ZINC000896111425 583772774 /nfs/dbraw/zinc/77/27/74/583772774.db2.gz FYENVCVYQNCMJC-LLVKDONJSA-N 1 0 249.318 0.727 20 30 BCEDRO NC(=[NH2+])NN=C1CCCc2cc(O)ccc21 ZINC000750911328 583850170 /nfs/dbraw/zinc/85/01/70/583850170.db2.gz BMAPSQDTYWMSJI-UHFFFAOYSA-N 1 0 218.260 0.916 20 30 BCEDRO C#Cc1ccc(CNC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000841907872 583878469 /nfs/dbraw/zinc/87/84/69/583878469.db2.gz GOJTUBRRKFBMSH-CYBMUJFWSA-N 1 0 243.310 0.829 20 30 BCEDRO C#CCNC(=O)CN(C)[C@@H](CO)c1ccccc1 ZINC000728387356 583878957 /nfs/dbraw/zinc/87/89/57/583878957.db2.gz KGEZXDLYBMGASA-ZDUSSCGKSA-N 1 0 246.310 0.401 20 30 BCEDRO C=CCONC(=O)NC[C@@H](C)[NH2+]CC ZINC000841913012 583903267 /nfs/dbraw/zinc/90/32/67/583903267.db2.gz FUBIQKCMEQOOHP-MRVPVSSYSA-N 1 0 201.270 0.401 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H](O)c1ccnn1C ZINC000897302849 583912258 /nfs/dbraw/zinc/91/22/58/583912258.db2.gz YKBPSMKENZFYPV-CMPLNLGQSA-N 1 0 236.319 0.983 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C)cn1 ZINC000728860998 583928776 /nfs/dbraw/zinc/92/87/76/583928776.db2.gz GGKBAZMXANHWLI-JTQLQIEISA-N 1 0 231.299 0.743 20 30 BCEDRO C[C@@H](CC[NH3+])NC(=O)c1coc(C#N)c1 ZINC000870939432 583932132 /nfs/dbraw/zinc/93/21/32/583932132.db2.gz SZCNHWLSETUVHC-ZETCQYMHSA-N 1 0 207.233 0.618 20 30 BCEDRO C#Cc1ccc(C(=O)NC2CC[NH+](C)CC2)nc1 ZINC000728959473 583939852 /nfs/dbraw/zinc/93/98/52/583939852.db2.gz GHZZAPUOVUWENY-UHFFFAOYSA-N 1 0 243.310 0.887 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872205290 583948675 /nfs/dbraw/zinc/94/86/75/583948675.db2.gz AASURGNBVHWCBN-JTQLQIEISA-N 1 0 217.309 0.301 20 30 BCEDRO CC(C)(O)C[C@@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000872206871 583948856 /nfs/dbraw/zinc/94/88/56/583948856.db2.gz GJKQNEYONZYRAH-SNVBAGLBSA-N 1 0 226.320 0.792 20 30 BCEDRO C#C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000897433858 583973682 /nfs/dbraw/zinc/97/36/82/583973682.db2.gz FYOVOCHGJLZXQY-IJLUTSLNSA-N 1 0 236.315 0.378 20 30 BCEDRO C#C[C@@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000897433859 583973805 /nfs/dbraw/zinc/97/38/05/583973805.db2.gz FYOVOCHGJLZXQY-UTUOFQBUSA-N 1 0 236.315 0.378 20 30 BCEDRO C=CCN(C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897444445 583984924 /nfs/dbraw/zinc/98/49/24/583984924.db2.gz GKVOWEGYBFDFNW-LLVKDONJSA-N 1 0 224.304 0.352 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cncn1C ZINC000858333535 588946591 /nfs/dbraw/zinc/94/65/91/588946591.db2.gz JFOSOWMGSGMEPH-NSHDSACASA-N 1 0 221.304 0.938 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000858334985 588946977 /nfs/dbraw/zinc/94/69/77/588946977.db2.gz JYYQHIZPRCOUKZ-GFCCVEGCSA-N 1 0 248.330 0.671 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000897505045 583998469 /nfs/dbraw/zinc/99/84/69/583998469.db2.gz HNYVCGQBEHYIHM-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)Nc2cnn(CC#N)c2)C1 ZINC000729921535 584029603 /nfs/dbraw/zinc/02/96/03/584029603.db2.gz BFMNPFRDQVUIFA-VIFPVBQESA-N 1 0 233.275 0.297 20 30 BCEDRO C#CCSCC(=O)NC1CC([NH+](C)C)C1 ZINC000897667219 584035149 /nfs/dbraw/zinc/03/51/49/584035149.db2.gz KWSLMERXRBMTQR-UHFFFAOYSA-N 1 0 226.345 0.562 20 30 BCEDRO C#CCSCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000897826319 584052001 /nfs/dbraw/zinc/05/20/01/584052001.db2.gz WWABMHKELHOWHA-GHMZBOCLSA-N 1 0 238.356 0.515 20 30 BCEDRO C[C@]1([NH2+]Cc2cccc(C#N)c2)CCNC1=O ZINC000897874395 584056509 /nfs/dbraw/zinc/05/65/09/584056509.db2.gz WFRQVNFQMKXQQJ-ZDUSSCGKSA-N 1 0 229.283 0.926 20 30 BCEDRO C[C@@]1([NH2+]Cc2ccc(C#N)cc2)CCNC1=O ZINC000897873868 584056830 /nfs/dbraw/zinc/05/68/30/584056830.db2.gz QJRUDVKAIVOHLA-CYBMUJFWSA-N 1 0 229.283 0.926 20 30 BCEDRO C#Cc1ccc(C(=O)NOCC[NH+](C)C)cc1 ZINC000897878017 584057395 /nfs/dbraw/zinc/05/73/95/584057395.db2.gz XDQNNYJHQSUWAW-UHFFFAOYSA-N 1 0 232.283 0.891 20 30 BCEDRO C#CCSCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000897908389 584059778 /nfs/dbraw/zinc/05/97/78/584059778.db2.gz IXQMCYBTZQZBGJ-IAZYJMLFSA-N 1 0 238.356 0.371 20 30 BCEDRO C=CC(C)(C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000898458159 584137556 /nfs/dbraw/zinc/13/75/56/584137556.db2.gz YBZSBTLESVWSPS-UHFFFAOYSA-N 1 0 237.303 0.138 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898601615 584145802 /nfs/dbraw/zinc/14/58/02/584145802.db2.gz QDARPQAYPJYUQX-LLVKDONJSA-N 1 0 236.315 0.331 20 30 BCEDRO C=C1CN(C(=O)C2C[NH+](C3CCOCC3)C2)C1 ZINC000898706179 584153441 /nfs/dbraw/zinc/15/34/41/584153441.db2.gz UEOVCGRDYNDGKY-UHFFFAOYSA-N 1 0 236.315 0.496 20 30 BCEDRO C#CC1(O)CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000899117979 584176486 /nfs/dbraw/zinc/17/64/86/584176486.db2.gz RDMFFJRFQMMIBC-LLVKDONJSA-N 1 0 238.331 0.313 20 30 BCEDRO C#CC1(F)CN(C(=O)C[C@H]2CC[N@@H+](C)C2)C1 ZINC000899214771 584181894 /nfs/dbraw/zinc/18/18/94/584181894.db2.gz DREZKNJEGDAPGX-SNVBAGLBSA-N 1 0 224.279 0.512 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000899234803 584186702 /nfs/dbraw/zinc/18/67/02/584186702.db2.gz RLIIPZTTXTUACL-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCN1C(=O)C[C@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1=O ZINC000899256565 584187278 /nfs/dbraw/zinc/18/72/78/584187278.db2.gz VHTXCVYMVFBEQM-TUAOUCFPSA-N 1 0 246.310 0.479 20 30 BCEDRO C#CCNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000899247180 584187950 /nfs/dbraw/zinc/18/79/50/584187950.db2.gz FUQJCNWGEYOHFD-LLVKDONJSA-N 1 0 207.277 0.157 20 30 BCEDRO CCNC(NCc1cncc(O)c1)=[NH+]CC ZINC000899261910 584190563 /nfs/dbraw/zinc/19/05/63/584190563.db2.gz CBVBJJBICAHFNA-UHFFFAOYSA-N 1 0 222.292 0.862 20 30 BCEDRO CNC(NCCc1ccccc1C(=O)OC)=[NH+]C ZINC000899262834 584190619 /nfs/dbraw/zinc/19/06/19/584190619.db2.gz RMAOJOQBGDGEAD-UHFFFAOYSA-N 1 0 249.314 0.811 20 30 BCEDRO CNC(NCCc1nc2c(s1)CCC2)=[NH+]C ZINC000899262562 584190662 /nfs/dbraw/zinc/19/06/62/584190662.db2.gz MKZXQNSVPRLEGT-UHFFFAOYSA-N 1 0 238.360 0.969 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899272717 584191881 /nfs/dbraw/zinc/19/18/81/584191881.db2.gz NPAITVSQBYDULU-NSHDSACASA-N 1 0 236.363 0.854 20 30 BCEDRO CC#CCCCC(=O)NCC[N@H+](C)CCO ZINC000899737160 584231777 /nfs/dbraw/zinc/23/17/77/584231777.db2.gz AJODWOKLXLSTCZ-UHFFFAOYSA-N 1 0 226.320 0.220 20 30 BCEDRO C=CC(C)(C)CC(=O)NCC[N@H+](C)CCO ZINC000899742396 584235190 /nfs/dbraw/zinc/23/51/90/584235190.db2.gz ZYHCGFRVZIOTQI-UHFFFAOYSA-N 1 0 228.336 0.629 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(C)CC1 ZINC000899905061 584251471 /nfs/dbraw/zinc/25/14/71/584251471.db2.gz QFLIFWAQCDZJCO-UHFFFAOYSA-N 1 0 225.336 0.268 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCOCC1 ZINC000899914863 584254422 /nfs/dbraw/zinc/25/44/22/584254422.db2.gz XKOXPIQAMTUMLK-UHFFFAOYSA-N 1 0 212.293 0.353 20 30 BCEDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000858587974 588969531 /nfs/dbraw/zinc/96/95/31/588969531.db2.gz ULHPRDAHXQMVET-BBBLOLIVSA-N 1 0 225.292 0.677 20 30 BCEDRO C#CCSCC(=O)NCC[NH+]1CCCC1 ZINC000900011613 584266363 /nfs/dbraw/zinc/26/63/63/584266363.db2.gz WRMHAEWSYJSRCA-UHFFFAOYSA-N 1 0 226.345 0.565 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCCNC(C)=O ZINC000900111337 584276689 /nfs/dbraw/zinc/27/66/89/584276689.db2.gz RQMUTZUUNNZHKN-UHFFFAOYSA-N 1 0 241.335 0.137 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CC)CO ZINC000900145110 584277970 /nfs/dbraw/zinc/27/79/70/584277970.db2.gz ZTWHJBKCEGGLED-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1cn[nH]c1 ZINC000900186669 584283951 /nfs/dbraw/zinc/28/39/51/584283951.db2.gz BMNQOEGPYZLXJP-UHFFFAOYSA-N 1 0 208.265 0.856 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1nncs1 ZINC000900263125 584289750 /nfs/dbraw/zinc/28/97/50/584289750.db2.gz YGAVHPGLHJYIKE-UHFFFAOYSA-N 1 0 226.305 0.985 20 30 BCEDRO C[C@@H]([NH3+])CN(C)S(=O)(=O)c1ccc(C#N)o1 ZINC000858639725 588972216 /nfs/dbraw/zinc/97/22/16/588972216.db2.gz GMVCQQPUOAIXGD-SSDOTTSWSA-N 1 0 243.288 0.119 20 30 BCEDRO CCN(CC#N)C(=O)c1ccnn1CC[NH+](C)C ZINC000900361215 584295921 /nfs/dbraw/zinc/29/59/21/584295921.db2.gz CSMAXRPFXDIHFJ-UHFFFAOYSA-N 1 0 249.318 0.430 20 30 BCEDRO C[N@H+](CC(=O)Nc1cnn(CC#N)c1)C1CCC1 ZINC000900439430 584310680 /nfs/dbraw/zinc/31/06/80/584310680.db2.gz LMHGRFYVSRDUIP-UHFFFAOYSA-N 1 0 247.302 0.829 20 30 BCEDRO CN(CC#N)C(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000900450540 584312310 /nfs/dbraw/zinc/31/23/10/584312310.db2.gz AGKSYFHMKVZSPW-VIFPVBQESA-N 1 0 209.293 0.841 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCC(=O)NC ZINC000900538595 584323783 /nfs/dbraw/zinc/32/37/83/584323783.db2.gz QTLCDTWEUOEXIG-UHFFFAOYSA-N 1 0 241.335 0.089 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900741044 584347462 /nfs/dbraw/zinc/34/74/62/584347462.db2.gz GELUIWDERNCNOG-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@](C)(O)COC ZINC000900900876 584364382 /nfs/dbraw/zinc/36/43/82/584364382.db2.gz XSEJKPJSEBHBOT-GFCCVEGCSA-N 1 0 244.335 0.008 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@](C)(C#N)COC ZINC000901052870 584379013 /nfs/dbraw/zinc/37/90/13/584379013.db2.gz TZPRCQXVJZBRNP-GFCCVEGCSA-N 1 0 239.319 0.539 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC1(CO)CC1 ZINC000901053360 584379845 /nfs/dbraw/zinc/37/98/45/584379845.db2.gz XTALSOVAXXLGCY-UHFFFAOYSA-N 1 0 226.320 0.383 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@](C)(CO)C1CC1 ZINC000901098283 584385322 /nfs/dbraw/zinc/38/53/22/584385322.db2.gz GUANPFNRNFOJBD-ZDUSSCGKSA-N 1 0 240.347 0.772 20 30 BCEDRO CCc1onc(C)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000901215499 584401562 /nfs/dbraw/zinc/40/15/62/584401562.db2.gz JXDSZDAUQGVYIO-SSDOTTSWSA-N 1 0 235.291 0.817 20 30 BCEDRO Cc1nn(C(C)C)c(C)c1C=NNC1=[NH+]CCN1 ZINC000901252461 584410123 /nfs/dbraw/zinc/41/01/23/584410123.db2.gz GLMZXYGHYGEHII-UHFFFAOYSA-N 1 0 248.334 0.964 20 30 BCEDRO CC(=NOC1CCOCC1)c1c[nH]c(N)[nH+]1 ZINC000901222160 584410803 /nfs/dbraw/zinc/41/08/03/584410803.db2.gz CMDADXAJDJQOIN-UHFFFAOYSA-N 1 0 224.264 0.912 20 30 BCEDRO CC(=NN[C@@H]1CCCOC1)c1c[nH]c(N)[nH+]1 ZINC000901222964 584411192 /nfs/dbraw/zinc/41/11/92/584411192.db2.gz WKZIMAHIWPUKGO-MRVPVSSYSA-N 1 0 223.280 0.485 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC[C@@H](O)COC ZINC000901268914 584418968 /nfs/dbraw/zinc/41/89/68/584418968.db2.gz QJRAZFPKTYIKBU-LLVKDONJSA-N 1 0 244.335 0.008 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C(=C)CC[NH+](C)C ZINC000901323190 584430481 /nfs/dbraw/zinc/43/04/81/584430481.db2.gz PKHGLZXMPRWNOU-LBPRGKRZSA-N 1 0 240.347 0.795 20 30 BCEDRO C#CCCOC(=O)NCC[N@@H+](C)CCCOC ZINC000859020597 588991431 /nfs/dbraw/zinc/99/14/31/588991431.db2.gz OKBHAHDPNLWJLZ-UHFFFAOYSA-N 1 0 242.319 0.704 20 30 BCEDRO CO[C@@H]1CC[C@@H]1N(C)Cn1cccc(C#N)c1=O ZINC000902639170 584649264 /nfs/dbraw/zinc/64/92/64/584649264.db2.gz OQHNXETXJLMGCR-NWDGAFQWSA-N 1 0 247.298 0.787 20 30 BCEDRO CC1(C#N)CCC([NH2+]C[C@@H](O)CO)CC1 ZINC000902727135 584661301 /nfs/dbraw/zinc/66/13/01/584661301.db2.gz WYCKUSDBIYTSHB-HSOILSAZSA-N 1 0 212.293 0.402 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cn(C)nn1 ZINC000902894984 584690956 /nfs/dbraw/zinc/69/09/56/584690956.db2.gz QSTDVRNWTPGFJP-UWVGGRQHSA-N 1 0 224.308 0.650 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](F)C1 ZINC000902992086 584710142 /nfs/dbraw/zinc/71/01/42/584710142.db2.gz GUOQNCJAGPBHAZ-JTQLQIEISA-N 1 0 212.268 0.560 20 30 BCEDRO C=CCC[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000903006609 584717017 /nfs/dbraw/zinc/71/70/17/584717017.db2.gz OCZSGEAUEMILIY-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C#CCCOC(=O)N1CC[NH+]2CCC1CC2 ZINC000859126291 589006126 /nfs/dbraw/zinc/00/61/26/589006126.db2.gz HTCPQECNVUZRNQ-UHFFFAOYSA-N 1 0 222.288 0.926 20 30 BCEDRO C[C@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(C#N)ccn1 ZINC000903082231 584724808 /nfs/dbraw/zinc/72/48/08/584724808.db2.gz RKACRTCKXJUATG-ZWKOPEQDSA-N 1 0 247.298 0.754 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H]1OC ZINC000903147626 584732136 /nfs/dbraw/zinc/73/21/36/584732136.db2.gz LUZPKPPZADAESI-GHMZBOCLSA-N 1 0 247.360 0.744 20 30 BCEDRO C=CCN1CC[C@H](N[C@H]2CC[NH2+]C23CCC3)C1=O ZINC000903472983 584776187 /nfs/dbraw/zinc/77/61/87/584776187.db2.gz YJJMTNRJKFBROE-RYUDHWBXSA-N 1 0 249.358 0.648 20 30 BCEDRO C[C@@H]1C[NH2+]C[C@H]1CN1CCN(CCC#N)CC1 ZINC000903475983 584776756 /nfs/dbraw/zinc/77/67/56/584776756.db2.gz JQAASXPKMUUQLF-OLZOCXBDSA-N 1 0 236.363 0.373 20 30 BCEDRO C=CC(C)(C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000903598056 584786203 /nfs/dbraw/zinc/78/62/03/584786203.db2.gz HUVZBRKXHFYBFG-VIFPVBQESA-N 1 0 232.349 0.622 20 30 BCEDRO C[C@]1(C#N)CN(CC2CC[NH2+]CC2)CCO1 ZINC000903708095 584791534 /nfs/dbraw/zinc/79/15/34/584791534.db2.gz XQVWJLNHIIEHOX-LBPRGKRZSA-N 1 0 223.320 0.600 20 30 BCEDRO C[C@@]1(C#N)CN(CCC[NH2+]C2CC2)CCO1 ZINC000903824591 584804546 /nfs/dbraw/zinc/80/45/46/584804546.db2.gz RIFMTAAAIVMDRI-GFCCVEGCSA-N 1 0 223.320 0.743 20 30 BCEDRO C[C@@]1(C#N)CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000903825045 584804570 /nfs/dbraw/zinc/80/45/70/584804570.db2.gz XJWWTEOJZVAQMU-VXGBXAGGSA-N 1 0 223.320 0.600 20 30 BCEDRO C#CCCOC(=O)NC[C@@H](C)C[NH+](C)C ZINC000859166729 589012896 /nfs/dbraw/zinc/01/28/96/589012896.db2.gz JSSIWKRXKJARPW-SNVBAGLBSA-N 1 0 212.293 0.934 20 30 BCEDRO C#CCCOC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000859179070 589014731 /nfs/dbraw/zinc/01/47/31/589014731.db2.gz OIYDCXRRAWFYTN-MNOVXSKESA-N 1 0 222.288 0.782 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000730281499 584898875 /nfs/dbraw/zinc/89/88/75/584898875.db2.gz YUDOZPUANODKOV-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO C[C@H](CO)N(C)N=C1CC[N@H+](C)[C@H](C)C1 ZINC000842541393 584901777 /nfs/dbraw/zinc/90/17/77/584901777.db2.gz RIMNBQYOMRCOGV-NXEZZACHSA-N 1 0 213.325 0.769 20 30 BCEDRO C#CCCOC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000859185617 589015918 /nfs/dbraw/zinc/01/59/18/589015918.db2.gz PQDMQPPDLYAHQL-SNVBAGLBSA-N 1 0 210.277 0.688 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@H]1CCOC1 ZINC000834479743 584913666 /nfs/dbraw/zinc/91/36/66/584913666.db2.gz IACCWMVESMYHHY-HBNTYKKESA-N 1 0 237.303 0.031 20 30 BCEDRO C#CCNC(=O)CN1CCC([NH2+]C(C)C)CC1 ZINC000731031761 584921415 /nfs/dbraw/zinc/92/14/15/584921415.db2.gz FJAQDHJJELQFSH-UHFFFAOYSA-N 1 0 237.347 0.198 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000731355678 584925445 /nfs/dbraw/zinc/92/54/45/584925445.db2.gz NEGQFVUFUIYTEP-UHFFFAOYSA-N 1 0 246.314 0.269 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N(CC)CCOC ZINC000732057267 584933426 /nfs/dbraw/zinc/93/34/26/584933426.db2.gz JNYKRUHTCGQBDQ-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCCC[NH+]1CCN(C[C@H](C)O)CC1 ZINC000766894222 584944421 /nfs/dbraw/zinc/94/44/21/584944421.db2.gz AALLIXNIKNRAFO-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884272176 584948605 /nfs/dbraw/zinc/94/86/05/584948605.db2.gz QZSAHUIRCKEUEJ-DTWKUNHWSA-N 1 0 232.287 0.709 20 30 BCEDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC000884295790 584948809 /nfs/dbraw/zinc/94/88/09/584948809.db2.gz GZHWKGAWQRCSFE-RNFRBKRXSA-N 1 0 206.249 0.352 20 30 BCEDRO CN1CCCc2cc(C=[NH+]NCCO)ccc21 ZINC000814943323 584970295 /nfs/dbraw/zinc/97/02/95/584970295.db2.gz CPWFFUGHNKKIBW-UHFFFAOYSA-N 1 0 233.315 0.985 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000890062308 585016693 /nfs/dbraw/zinc/01/66/93/585016693.db2.gz RBEZUBYBKKHNMN-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N1CC(C)(F)C1 ZINC000838623902 585063941 /nfs/dbraw/zinc/06/39/41/585063941.db2.gz WBNFNKYTRLTOOT-UHFFFAOYSA-N 1 0 241.310 0.695 20 30 BCEDRO C=CCONC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000838706495 585065677 /nfs/dbraw/zinc/06/56/77/585065677.db2.gz QJOZFZUPJMVPAP-JTQLQIEISA-N 1 0 227.308 0.888 20 30 BCEDRO C=CCONC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000838707955 585065923 /nfs/dbraw/zinc/06/59/23/585065923.db2.gz KKHYWZYVVIGVIB-VIFPVBQESA-N 1 0 225.292 0.640 20 30 BCEDRO C=CCONC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000838708381 585066159 /nfs/dbraw/zinc/06/61/59/585066159.db2.gz SZNPDZQIVISFRJ-NSHDSACASA-N 1 0 239.319 0.982 20 30 BCEDRO C=CCONC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000838710936 585066760 /nfs/dbraw/zinc/06/67/60/585066760.db2.gz DJDCWABJOULCDZ-ONGXEEELSA-N 1 0 239.319 0.886 20 30 BCEDRO C=CCONC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000838714882 585067425 /nfs/dbraw/zinc/06/74/25/585067425.db2.gz NZIONYUFAQFFMZ-ZJUUUORDSA-N 1 0 225.292 0.450 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1cn[nH]c1)[C@@H]1CCCO1 ZINC000838935925 585081647 /nfs/dbraw/zinc/08/16/47/585081647.db2.gz IAUPJJVAQDLOPA-NEPJUHHUSA-N 1 0 219.288 0.723 20 30 BCEDRO C#C[C@H]1COCCN1CC[NH+]1CCCC1 ZINC000839196842 585099000 /nfs/dbraw/zinc/09/90/00/585099000.db2.gz QSUMDKDAZYCVKV-LBPRGKRZSA-N 1 0 208.305 0.416 20 30 BCEDRO C[C@@H]1C[C@@H](C)[N@H+](CC(=O)NCCC#N)C1 ZINC000740883341 585107877 /nfs/dbraw/zinc/10/78/77/585107877.db2.gz NQKFJTJYKIOFKR-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO CCC[N@H+](C)CC(=O)Nc1cnn(CC#N)c1 ZINC000741208945 585111037 /nfs/dbraw/zinc/11/10/37/585111037.db2.gz DRNDJIDFWXZUDZ-UHFFFAOYSA-N 1 0 235.291 0.687 20 30 BCEDRO C[C@H]1CC(=NN2CCOCC2)CC[N@@H+]1C ZINC000741451307 585114203 /nfs/dbraw/zinc/11/42/03/585114203.db2.gz FHLSLIYIEZDJBI-JTQLQIEISA-N 1 0 211.309 0.789 20 30 BCEDRO C#CCC[NH+]1CCN(c2ccnc(C)n2)CC1 ZINC000742398444 585125847 /nfs/dbraw/zinc/12/58/47/585125847.db2.gz XPLPGYIDXZEDOJ-UHFFFAOYSA-N 1 0 230.315 0.930 20 30 BCEDRO C#CCN(CC#CC)C[C@@H](O)C[NH+]1CCCC1 ZINC000743854721 585141197 /nfs/dbraw/zinc/14/11/97/585141197.db2.gz JYKVILNMNBJOGI-CQSZACIVSA-N 1 0 234.343 0.402 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000745717792 585160563 /nfs/dbraw/zinc/16/05/63/585160563.db2.gz AQNBXHGWGZGKDC-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C=CCN(C(=O)[C@@H]1CN(C)CCO1)C(C)C ZINC000746217694 585165432 /nfs/dbraw/zinc/16/54/32/585165432.db2.gz AJQBVKKOXCUDIU-NSHDSACASA-N 1 0 226.320 0.740 20 30 BCEDRO C#CC[N@H+](CC)CCCN1CCOC1=O ZINC000746456717 585168203 /nfs/dbraw/zinc/16/82/03/585168203.db2.gz GMOGKXKVGPGIRE-UHFFFAOYSA-N 1 0 210.277 0.784 20 30 BCEDRO COc1ccc(CNC(=O)C[NH+](C)C)cc1C#N ZINC000747613721 585181197 /nfs/dbraw/zinc/18/11/97/585181197.db2.gz DJXLEXBUGNJTIA-UHFFFAOYSA-N 1 0 247.298 0.745 20 30 BCEDRO C=CCNC(=S)NCCN1CCO[C@H](C)C1 ZINC000751014750 585223408 /nfs/dbraw/zinc/22/34/08/585223408.db2.gz LXHLTVHRNALHIV-SNVBAGLBSA-N 1 0 243.376 0.357 20 30 BCEDRO C[C@@H]1C[NH+](CC(=O)NCCC#N)C[C@H]1C ZINC000752077301 585241598 /nfs/dbraw/zinc/24/15/98/585241598.db2.gz XKLFNVVCFAFPFN-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NCCC#N)[C@H]1C ZINC000752092188 585242376 /nfs/dbraw/zinc/24/23/76/585242376.db2.gz LVWWALSUZSJWEH-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ncccn1 ZINC000752159372 585243044 /nfs/dbraw/zinc/24/30/44/585243044.db2.gz CNUMUZQHIGFBCL-MRVPVSSYSA-N 1 0 205.265 0.826 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1nccn(C)c1=O ZINC000752169790 585243095 /nfs/dbraw/zinc/24/30/95/585243095.db2.gz ZHMZKFVQBHNJPS-QMMMGPOBSA-N 1 0 235.291 0.130 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)SC ZINC000752267517 585244284 /nfs/dbraw/zinc/24/42/84/585244284.db2.gz CLKKJCSJTKVTSN-MNOVXSKESA-N 1 0 240.372 0.952 20 30 BCEDRO N#CCN(C(=O)C[NH+]1CCCC1)C1CC1 ZINC000753884995 585271605 /nfs/dbraw/zinc/27/16/05/585271605.db2.gz MEJLHCQWIHBUML-UHFFFAOYSA-N 1 0 207.277 0.597 20 30 BCEDRO C#CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000753908173 585271927 /nfs/dbraw/zinc/27/19/27/585271927.db2.gz XLGYMUSILGZXFN-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000753970503 585273904 /nfs/dbraw/zinc/27/39/04/585273904.db2.gz LZNNQMGCLXEZRV-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC(=O)N1CC[C@@H](OCC[NH+](CC)CC)C1 ZINC000754059545 585276903 /nfs/dbraw/zinc/27/69/03/585276903.db2.gz LFRRYEZVXRCNDF-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCCC[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000754504203 585285327 /nfs/dbraw/zinc/28/53/27/585285327.db2.gz WPBCSXZKKSPGPJ-GFCCVEGCSA-N 1 0 238.331 0.660 20 30 BCEDRO CC[C@@H]([NH2+]CC(=O)NCCC#N)[C@H]1CCCO1 ZINC000754522171 585285568 /nfs/dbraw/zinc/28/55/68/585285568.db2.gz YHJJYEDGAGXOGM-GHMZBOCLSA-N 1 0 239.319 0.563 20 30 BCEDRO C#CCOCCC(=O)NCCC[NH+](CC)CC ZINC000755386252 585298749 /nfs/dbraw/zinc/29/87/49/585298749.db2.gz RSBSPIGXEGGFPP-UHFFFAOYSA-N 1 0 240.347 0.874 20 30 BCEDRO C#CCOCCC(=O)NCCC[N@@H+](C)C(C)C ZINC000755505139 585300910 /nfs/dbraw/zinc/30/09/10/585300910.db2.gz AVUXVQZFJVXWKB-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CCOCCC(=O)N[C@@H](C)Cn1ccnc1 ZINC000755525188 585301488 /nfs/dbraw/zinc/30/14/88/585301488.db2.gz RKNKVHLNBNQOBJ-NSHDSACASA-N 1 0 235.287 0.428 20 30 BCEDRO CNC(=O)NC(=O)CN(CCC#N)CC(C)C ZINC000755670073 585303835 /nfs/dbraw/zinc/30/38/35/585303835.db2.gz NJSDUDAZEBYGLL-UHFFFAOYSA-N 1 0 240.307 0.314 20 30 BCEDRO C#CCOCCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000755865722 585309053 /nfs/dbraw/zinc/30/90/53/585309053.db2.gz CURTUXFWJBPLNR-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCOCCC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000755929546 585310868 /nfs/dbraw/zinc/31/08/68/585310868.db2.gz FZIYSLZUZZFIBZ-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCOCCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000756810941 585323752 /nfs/dbraw/zinc/32/37/52/585323752.db2.gz YDHUAIWBDJBYLS-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(=O)OC)[C@H]1CCCO1 ZINC000839565255 585330390 /nfs/dbraw/zinc/33/03/90/585330390.db2.gz WCZJBRXIHLNZGV-NXEZZACHSA-N 1 0 211.261 0.320 20 30 BCEDRO C=C(Cl)CN1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000839629942 585332646 /nfs/dbraw/zinc/33/26/46/585332646.db2.gz DVZQWNJLTBPCIS-JTQLQIEISA-N 1 0 246.738 0.776 20 30 BCEDRO CCOC(=O)[C@@H]1CCC(N=NC(N)=[NH2+])C[C@@H]1C ZINC000758097841 585348954 /nfs/dbraw/zinc/34/89/54/585348954.db2.gz HPXLZOLIXWASDB-IONNQARKSA-N 1 0 240.307 0.825 20 30 BCEDRO Cn1ccnc(N=NC2CCC[N@H+](C)CC2)c1=O ZINC000758118323 585349384 /nfs/dbraw/zinc/34/93/84/585349384.db2.gz PYZKIBNCCUOHFS-UHFFFAOYSA-N 1 0 249.318 0.664 20 30 BCEDRO C#CCNC(=S)NCC[NH+]1CCCCC1 ZINC000758188170 585351357 /nfs/dbraw/zinc/35/13/57/585351357.db2.gz AGKSDKGXECELBO-UHFFFAOYSA-N 1 0 225.361 0.570 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000758193889 585351544 /nfs/dbraw/zinc/35/15/44/585351544.db2.gz RSYMGSGTWPJHGH-MNOVXSKESA-N 1 0 237.372 0.711 20 30 BCEDRO CN(C[C@H]1CCCO1)Cn1cccc(C#N)c1=O ZINC000758220837 585352074 /nfs/dbraw/zinc/35/20/74/585352074.db2.gz BWRNKVRUFBUBGN-GFCCVEGCSA-N 1 0 247.298 0.788 20 30 BCEDRO C#CCNC(=S)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000758247846 585352888 /nfs/dbraw/zinc/35/28/88/585352888.db2.gz SBTPFGJMWKUEBJ-WDEREUQCSA-N 1 0 239.388 0.909 20 30 BCEDRO COC(C)(C)C[N@H+](C)CC(=O)NCCC#N ZINC000758817074 585360101 /nfs/dbraw/zinc/36/01/01/585360101.db2.gz RHBIQNQNDRYXNV-UHFFFAOYSA-N 1 0 227.308 0.373 20 30 BCEDRO C[C@H](C#N)OC(=O)[C@@H](C)N1CCSCC1 ZINC000759808277 585380747 /nfs/dbraw/zinc/38/07/47/585380747.db2.gz FESKLVJTBJPYSB-RKDXNWHRSA-N 1 0 228.317 0.879 20 30 BCEDRO C[C@H](C(=O)OCC#N)N1CCSCC1 ZINC000759809323 585380806 /nfs/dbraw/zinc/38/08/06/585380806.db2.gz ILIRCAKNERBNMH-MRVPVSSYSA-N 1 0 214.290 0.490 20 30 BCEDRO C#CCC[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000760816505 585397791 /nfs/dbraw/zinc/39/77/91/585397791.db2.gz ULLCITYPGRCPCR-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CCC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000760820895 585397993 /nfs/dbraw/zinc/39/79/93/585397993.db2.gz YCKOBPUTCIAQAF-UHFFFAOYSA-N 1 0 221.304 0.499 20 30 BCEDRO CN(CC[NH+]1CCCC1)CC(=O)NCCC#N ZINC000760832851 585398349 /nfs/dbraw/zinc/39/83/49/585398349.db2.gz NNYURDYBYKGHNE-UHFFFAOYSA-N 1 0 238.335 0.044 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000760853457 585399891 /nfs/dbraw/zinc/39/98/91/585399891.db2.gz LUIFIQRRJOCIBZ-LLVKDONJSA-N 1 0 244.360 0.271 20 30 BCEDRO C#CCCN1CC[NH+](C(C)(C)CO)CC1 ZINC000760856564 585400027 /nfs/dbraw/zinc/40/00/27/585400027.db2.gz ITKOYRYNIAGSDJ-UHFFFAOYSA-N 1 0 210.321 0.398 20 30 BCEDRO C#CCC[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000760884619 585400775 /nfs/dbraw/zinc/40/07/75/585400775.db2.gz BUOKSYAWZRMTNN-LBPRGKRZSA-N 1 0 208.305 0.810 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCN(C)[C@H](C)C1 ZINC000761081007 585406456 /nfs/dbraw/zinc/40/64/56/585406456.db2.gz LMMVLLBLUFPSJM-NEPJUHHUSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCN(C)[C@@H](C)C1 ZINC000761081009 585406914 /nfs/dbraw/zinc/40/69/14/585406914.db2.gz LMMVLLBLUFPSJM-NWDGAFQWSA-N 1 0 212.337 0.949 20 30 BCEDRO C#CCOCC[N@@H+](C)CC1(O)CCCC1 ZINC000761110827 585410147 /nfs/dbraw/zinc/41/01/47/585410147.db2.gz WGRMRRXLGZRPBG-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C[C@H]1CC(N=Nc2ccc(C(N)=O)nn2)C[N@@H+]1C ZINC000761816754 585419268 /nfs/dbraw/zinc/41/92/68/585419268.db2.gz GNSGKNIZGUTQLX-ZETCQYMHSA-N 1 0 248.290 0.067 20 30 BCEDRO C[C@H]1CC(N=Nc2ncnc3[nH]cnc32)C[N@@H+]1C ZINC000761812417 585419372 /nfs/dbraw/zinc/41/93/72/585419372.db2.gz PJVDMWQNVBWULC-ZETCQYMHSA-N 1 0 245.290 0.845 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C1([NH+](C)C)CCC1 ZINC000762979334 585440674 /nfs/dbraw/zinc/44/06/74/585440674.db2.gz JHJGEOKZWAUTDQ-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)C[C@H]1CCOC1 ZINC000764198425 585461353 /nfs/dbraw/zinc/46/13/53/585461353.db2.gz YETZFFNOUJXSOZ-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1cnn(C)c1 ZINC000764228097 585462056 /nfs/dbraw/zinc/46/20/56/585462056.db2.gz IQGTZTMJDUZOGS-UHFFFAOYSA-N 1 0 208.265 0.476 20 30 BCEDRO C#CCC[NH+]1CCN(CCOCC)CC1 ZINC000764232596 585462484 /nfs/dbraw/zinc/46/24/84/585462484.db2.gz JXVWMZFOQAJOBP-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)Cn1cccn1 ZINC000764251732 585463000 /nfs/dbraw/zinc/46/30/00/585463000.db2.gz ZEVNAWJJOZVNAE-NSHDSACASA-N 1 0 236.319 0.506 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CCCC(=O)OC ZINC000764279376 585463237 /nfs/dbraw/zinc/46/32/37/585463237.db2.gz QDJQXYDOIIUTCQ-UHFFFAOYSA-N 1 0 242.319 0.516 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CCC)CC(=O)NC ZINC000764419841 585465329 /nfs/dbraw/zinc/46/53/29/585465329.db2.gz XHNSSCCSFFVZCD-UHFFFAOYSA-N 1 0 241.335 0.089 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@](C)(O)CSC ZINC000764541806 585467655 /nfs/dbraw/zinc/46/76/55/585467655.db2.gz XNQCDWOLLPGFIU-NSHDSACASA-N 1 0 246.376 0.334 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC([C@@H](C)O)CC1 ZINC000764542483 585467675 /nfs/dbraw/zinc/46/76/75/585467675.db2.gz WNFAHAIYZFJWQI-LLVKDONJSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)CC(C)(C)O ZINC000764602118 585468646 /nfs/dbraw/zinc/46/86/46/585468646.db2.gz CBSFYOGCRMIWHO-UHFFFAOYSA-N 1 0 228.336 0.724 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)[C@H](C)CC ZINC000764633077 585469598 /nfs/dbraw/zinc/46/95/98/585469598.db2.gz XISNRZRKJOXPEN-MWLCHTKSSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H](C)CO ZINC000764634713 585469681 /nfs/dbraw/zinc/46/96/81/585469681.db2.gz XSPOKDAYJSJJLO-ZJUUUORDSA-N 1 0 214.309 0.237 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC)CC#N ZINC000764656353 585470381 /nfs/dbraw/zinc/47/03/81/585470381.db2.gz HSIOEEBYCRTSGG-SNVBAGLBSA-N 1 0 209.293 0.913 20 30 BCEDRO C[C@H]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)=NO1 ZINC000765372727 585484393 /nfs/dbraw/zinc/48/43/93/585484393.db2.gz NHQWCNCCFICPRE-IUCAKERBSA-N 1 0 225.292 0.709 20 30 BCEDRO C[C@@H]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)=NO1 ZINC000765384099 585484991 /nfs/dbraw/zinc/48/49/91/585484991.db2.gz LHCSJVLYFYGFDG-HTQZYQBOSA-N 1 0 211.265 0.177 20 30 BCEDRO C#CCCC[NH+]1CCN(CC(=O)NCC=C)CC1 ZINC000766895309 585509490 /nfs/dbraw/zinc/50/94/90/585509490.db2.gz DRCOATDWXGOAMV-UHFFFAOYSA-N 1 0 249.358 0.320 20 30 BCEDRO CC1CC([NH2+]CCNC(=O)C2N=CC=CC2=O)C1 ZINC000768226006 585533999 /nfs/dbraw/zinc/53/39/99/585533999.db2.gz ASWLRIKKBHOGAH-OUKQBFOZSA-N 1 0 249.314 0.901 20 30 BCEDRO CN1C(=O)CN(N=C2CC[N@@H+]3CCC[C@H]23)C1=O ZINC000768378183 585537503 /nfs/dbraw/zinc/53/75/03/585537503.db2.gz GSMIPBORRDNORT-SECBINFHSA-N 1 0 236.275 0.105 20 30 BCEDRO C#CCCC[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000769219514 585551321 /nfs/dbraw/zinc/55/13/21/585551321.db2.gz CAAPABHBXWOUIL-GFCCVEGCSA-N 1 0 209.289 0.891 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCc1ncccn1 ZINC000770063863 585570453 /nfs/dbraw/zinc/57/04/53/585570453.db2.gz YVLAWPJTYNJEJQ-NSHDSACASA-N 1 0 244.298 0.190 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCCC2(C1)OCCO2 ZINC000770264394 585572518 /nfs/dbraw/zinc/57/25/18/585572518.db2.gz WGPUUBKTDUNHEG-NSHDSACASA-N 1 0 227.304 0.762 20 30 BCEDRO CC(C)[N@H+]1CC(=NOCC(N)=O)[C@H](C)C1 ZINC000771578979 585597143 /nfs/dbraw/zinc/59/71/43/585597143.db2.gz WAVGRIMRYZNFLS-MRVPVSSYSA-N 1 0 213.281 0.204 20 30 BCEDRO C#CCCNc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000771660776 585598611 /nfs/dbraw/zinc/59/86/11/585598611.db2.gz DPGFWGIHOUALAZ-UHFFFAOYSA-N 1 0 228.259 0.680 20 30 BCEDRO C=CCOCC(=O)OCCn1ccnc1 ZINC000771948593 585605307 /nfs/dbraw/zinc/60/53/07/585605307.db2.gz FNGNPDZKVXMDEH-UHFFFAOYSA-N 1 0 210.233 0.629 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OC[C@H](C)CO)CC1 ZINC000772112897 585608700 /nfs/dbraw/zinc/60/87/00/585608700.db2.gz BYFSAKYDUJJJGR-LLVKDONJSA-N 1 0 239.315 0.503 20 30 BCEDRO C[C@H](O)c1ncc(C=NNC(N)=[NH2+])s1 ZINC000773035634 585629983 /nfs/dbraw/zinc/62/99/83/585629983.db2.gz URQOPDINGCQVKA-BYPYZUCNSA-N 1 0 213.266 0.013 20 30 BCEDRO CON=CC(=O)NCC(C)(C)C[NH+](C)C ZINC000773728309 585642834 /nfs/dbraw/zinc/64/28/34/585642834.db2.gz RQMXYOCVFNVRHZ-UHFFFAOYSA-N 1 0 215.297 0.323 20 30 BCEDRO C=C(CO)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000773828871 585644516 /nfs/dbraw/zinc/64/45/16/585644516.db2.gz DOOHKRPFNZUIKG-UHFFFAOYSA-N 1 0 238.331 0.526 20 30 BCEDRO CON=CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000773851594 585645065 /nfs/dbraw/zinc/64/50/65/585645065.db2.gz OTLVLKWKDZSJCH-SECBINFHSA-N 1 0 225.292 0.219 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1(C#N)CCC1 ZINC000773882511 585645611 /nfs/dbraw/zinc/64/56/11/585645611.db2.gz YMTDMUHGYVQTER-UHFFFAOYSA-N 1 0 207.277 0.667 20 30 BCEDRO CON=CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000773921635 585646365 /nfs/dbraw/zinc/64/63/65/585646365.db2.gz JBWBFXXNLARXLR-MRVPVSSYSA-N 1 0 213.281 0.218 20 30 BCEDRO C#CCC[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000773965814 585647375 /nfs/dbraw/zinc/64/73/75/585647375.db2.gz UTNSYYHNHUUKRF-OLZOCXBDSA-N 1 0 241.331 0.356 20 30 BCEDRO CON=CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000773989004 585647858 /nfs/dbraw/zinc/64/78/58/585647858.db2.gz AKPFQFOVKGZNFB-UWVGGRQHSA-N 1 0 227.308 0.417 20 30 BCEDRO CON=CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000774024565 585648604 /nfs/dbraw/zinc/64/86/04/585648604.db2.gz NHIFGZZTRXDOFC-NXEZZACHSA-N 1 0 227.308 0.608 20 30 BCEDRO CON=CC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000774039096 585648949 /nfs/dbraw/zinc/64/89/49/585648949.db2.gz FRUFOOOOJUZVQG-IUCAKERBSA-N 1 0 225.292 0.360 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)Cc1noc(C)n1 ZINC000774091706 585650144 /nfs/dbraw/zinc/65/01/44/585650144.db2.gz KEDUMKSVXMMJOG-UHFFFAOYSA-N 1 0 238.291 0.454 20 30 BCEDRO C#C[C@@H]([NH2+]C1CCN(C=O)CC1)[C@H]1CCCO1 ZINC000774365423 585656967 /nfs/dbraw/zinc/65/69/67/585656967.db2.gz ZZPHELNVPQZJCL-CHWSQXEVSA-N 1 0 236.315 0.378 20 30 BCEDRO CON=CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000774404736 585657558 /nfs/dbraw/zinc/65/75/58/585657558.db2.gz UMWFWAAHWOZTCW-MNOVXSKESA-N 1 0 241.335 0.855 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000774763062 585665518 /nfs/dbraw/zinc/66/55/18/585665518.db2.gz VRYHJBFQKKQDLM-CYBMUJFWSA-N 1 0 240.347 0.289 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N(CCC)CCO ZINC000775524089 585678892 /nfs/dbraw/zinc/67/88/92/585678892.db2.gz CIDHBLHDZTZEJJ-LBPRGKRZSA-N 1 0 238.331 0.315 20 30 BCEDRO COC1(C)CC[NH+](CC(=O)NCCC#N)CC1 ZINC000775556093 585679438 /nfs/dbraw/zinc/67/94/38/585679438.db2.gz DPRORZUBAFBSQJ-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(=O)NC(C)C)[C@H]1CCCO1 ZINC000775789202 585684671 /nfs/dbraw/zinc/68/46/71/585684671.db2.gz KZJPPHJHISTXCD-VXGBXAGGSA-N 1 0 238.331 0.672 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)C(=O)NC1CC1)[C@H]1CCCO1 ZINC000775784278 585684675 /nfs/dbraw/zinc/68/46/75/585684675.db2.gz HKSBBQNYYAIVDA-ADEWGFFLSA-N 1 0 236.315 0.424 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1cnn(C)c1)[C@@H]1CCCO1 ZINC000775797823 585685266 /nfs/dbraw/zinc/68/52/66/585685266.db2.gz DZTDJJUUFDVCIZ-OLZOCXBDSA-N 1 0 233.315 0.733 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCCN(C)C1=O)[C@H]1CCCO1 ZINC000775801198 585685506 /nfs/dbraw/zinc/68/55/06/585685506.db2.gz WRJORBDMMWAUDM-SDDRHHMPSA-N 1 0 236.315 0.378 20 30 BCEDRO C#CCOCC[N@H+](C)CCCn1ccnc1 ZINC000775999796 585689331 /nfs/dbraw/zinc/68/93/31/585689331.db2.gz KBGZQJUOLBTJRP-UHFFFAOYSA-N 1 0 221.304 0.855 20 30 BCEDRO C=CCNC(=S)NCC1=CC[N@H+](C)CC1 ZINC000776199085 585692748 /nfs/dbraw/zinc/69/27/48/585692748.db2.gz VTBQPIGZXZNQHP-UHFFFAOYSA-N 1 0 225.361 0.898 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2ncc(C)cn2)CC1 ZINC000776594487 585702094 /nfs/dbraw/zinc/70/20/94/585702094.db2.gz JDTFVSPXIPBVJP-UHFFFAOYSA-N 1 0 244.342 0.926 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc(F)nc2)N1 ZINC000777443449 585712237 /nfs/dbraw/zinc/71/22/37/585712237.db2.gz VOQHLYJJWAVZLJ-ZETCQYMHSA-N 1 0 221.239 0.492 20 30 BCEDRO C=C(C)CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000778232449 585728613 /nfs/dbraw/zinc/72/86/13/585728613.db2.gz ZKEBKZYAVFMVLF-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000778296277 585730383 /nfs/dbraw/zinc/73/03/83/585730383.db2.gz VHLSEPDQPNNSML-GHMZBOCLSA-N 1 0 208.305 0.986 20 30 BCEDRO C[C@@H]1CN(C2CC2)CC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779786481 585763237 /nfs/dbraw/zinc/76/32/37/585763237.db2.gz RFOOVOGDFKWONB-BDAKNGLRSA-N 1 0 235.335 0.394 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2c[nH]c3ncccc23)N1 ZINC000779791184 585763840 /nfs/dbraw/zinc/76/38/40/585763840.db2.gz GRLQIOCSVWVJCQ-MRVPVSSYSA-N 1 0 242.286 0.834 20 30 BCEDRO C[C@H]1CNC(NN=C2CC[N@H+](C)[C@@H](C)C2)=[NH+]1 ZINC000779794150 585763914 /nfs/dbraw/zinc/76/39/14/585763914.db2.gz CZKCKTARZOCARL-IUCAKERBSA-N 1 0 223.324 0.394 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccoc1 ZINC000779793678 585764004 /nfs/dbraw/zinc/76/40/04/585764004.db2.gz XAGXPJMCNSGUHL-SSDOTTSWSA-N 1 0 206.249 0.941 20 30 BCEDRO C[C@H]1CNC(NN=C2CCCOCC2)=[NH+]1 ZINC000779793904 585764117 /nfs/dbraw/zinc/76/41/17/585764117.db2.gz BRTMJDGLIAVFAQ-QMMMGPOBSA-N 1 0 210.281 0.480 20 30 BCEDRO CCn1ccnc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779793312 585764177 /nfs/dbraw/zinc/76/41/77/585764177.db2.gz ZROPSVAVPKHRTI-MRVPVSSYSA-N 1 0 220.280 0.174 20 30 BCEDRO Cc1ncc(C=NNC2=[NH+]C[C@@H](C)N2)s1 ZINC000779795499 585764241 /nfs/dbraw/zinc/76/42/41/585764241.db2.gz VBSZPPRAMOYVMK-ZCFIWIBFSA-N 1 0 223.305 0.723 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccn(C)c2)N1 ZINC000779795254 585764455 /nfs/dbraw/zinc/76/44/55/585764455.db2.gz REQNXPVRPILBBM-QMMMGPOBSA-N 1 0 205.265 0.296 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cncc(F)c1 ZINC000779794254 585764490 /nfs/dbraw/zinc/76/44/90/585764490.db2.gz FPBAMAQVUMYIME-SSDOTTSWSA-N 1 0 235.266 0.882 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cccc3nccn32)N1 ZINC000779800452 585764738 /nfs/dbraw/zinc/76/47/38/585764738.db2.gz NLZHFBDVUWPPPY-SECBINFHSA-N 1 0 242.286 0.606 20 30 BCEDRO C1C[C@H]2C(N=N[C@H]3CCCOC3)CC[N@@H+]2C1 ZINC000780261084 585775644 /nfs/dbraw/zinc/77/56/44/585775644.db2.gz KOBHTORFZQAHSX-JQWIXIFHSA-N 1 0 223.320 0.979 20 30 BCEDRO C[NH+](C)CCNC(=O)[C@@H](O)c1ccc(C#N)cc1 ZINC000780849108 585785237 /nfs/dbraw/zinc/78/52/37/585785237.db2.gz JHXAACLWICBJGJ-LBPRGKRZSA-N 1 0 247.298 0.269 20 30 BCEDRO C#CCCNC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000781395168 585795469 /nfs/dbraw/zinc/79/54/69/585795469.db2.gz MXKGFGMCZHGACW-NSHDSACASA-N 1 0 235.331 0.959 20 30 BCEDRO COc1cc(C(C)=NNC(N)=[NH2+])ccn1 ZINC000782187624 585810993 /nfs/dbraw/zinc/81/09/93/585810993.db2.gz RCYYKGSZSQXZJC-UHFFFAOYSA-N 1 0 207.237 0.297 20 30 BCEDRO C#CCNC(=S)N(C)CC1([NH+](C)C)CCC1 ZINC000782212568 585812269 /nfs/dbraw/zinc/81/22/69/585812269.db2.gz SASVBNRBAIDFKE-UHFFFAOYSA-N 1 0 239.388 0.910 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CC(F)(F)C2)CC1 ZINC000782853251 585824949 /nfs/dbraw/zinc/82/49/49/585824949.db2.gz CIBOTEIWYNAZDK-UHFFFAOYSA-N 1 0 242.269 0.809 20 30 BCEDRO C#CCOCC[NH2+][C@H](COC)C1CCOCC1 ZINC000783291872 585832960 /nfs/dbraw/zinc/83/29/60/585832960.db2.gz RKQVAHGCFCGSAV-CYBMUJFWSA-N 1 0 241.331 0.667 20 30 BCEDRO CC[C@]1(CO)CCC[N@@H+]1CC(=O)NCCC#N ZINC000784388138 585857839 /nfs/dbraw/zinc/85/78/39/585857839.db2.gz HXWQLDIDKBRRNY-GFCCVEGCSA-N 1 0 239.319 0.253 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000784592617 585864072 /nfs/dbraw/zinc/86/40/72/585864072.db2.gz KRRNXPGNDIHRAY-QWHCGFSZSA-N 1 0 236.315 0.283 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)NCc1ccc(C#N)cn1 ZINC000785419272 585872930 /nfs/dbraw/zinc/87/29/30/585872930.db2.gz AYSKWSZFJGZXDQ-LBPRGKRZSA-N 1 0 244.298 0.664 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)NCc1ccc(C#N)cn1 ZINC000785419271 585873119 /nfs/dbraw/zinc/87/31/19/585873119.db2.gz AYSKWSZFJGZXDQ-GFCCVEGCSA-N 1 0 244.298 0.664 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000785546047 585875590 /nfs/dbraw/zinc/87/55/90/585875590.db2.gz KXQPQDGMRVKUCN-SRVKXCTJSA-N 1 0 238.331 0.217 20 30 BCEDRO C=CCCN(C)C(=S)NCC[NH+](C)C ZINC000786082474 585886902 /nfs/dbraw/zinc/88/69/02/585886902.db2.gz GWARKNSGLKFEAW-UHFFFAOYSA-N 1 0 215.366 0.930 20 30 BCEDRO N#CC1(C[C@H](O)C[N@H+]2C[C@@H]3C[C@]3(CO)C2)CC1 ZINC000859269850 589026456 /nfs/dbraw/zinc/02/64/56/589026456.db2.gz HUCGWEQQAXLTBT-GMXVVIOVSA-N 1 0 236.315 0.355 20 30 BCEDRO N#CCC[NH2+]C1CCN(c2cnccn2)CC1 ZINC000787300424 585906547 /nfs/dbraw/zinc/90/65/47/585906547.db2.gz KBJHFCUSVPZOJT-UHFFFAOYSA-N 1 0 231.303 0.949 20 30 BCEDRO C#CCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000787332733 585907165 /nfs/dbraw/zinc/90/71/65/585907165.db2.gz VOXUVNZFTOSUKT-SDDRHHMPSA-N 1 0 220.316 0.986 20 30 BCEDRO C[C@H]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)=NO1 ZINC000787477358 585910013 /nfs/dbraw/zinc/91/00/13/585910013.db2.gz CSMGPGYRNGRFHX-WCBMZHEXSA-N 1 0 237.303 0.852 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCCC#N)CC1 ZINC000787618936 585912986 /nfs/dbraw/zinc/91/29/86/585912986.db2.gz BWFARKYDZXVVNZ-UHFFFAOYSA-N 1 0 219.288 0.361 20 30 BCEDRO CC#CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000788305423 585921521 /nfs/dbraw/zinc/92/15/21/585921521.db2.gz AOZOOVRLVTZYLY-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO C[N@@H+]1CCCC(=NN[C@@H]2CCOC2)CC1 ZINC000788452565 585922898 /nfs/dbraw/zinc/92/28/98/585922898.db2.gz PDVCZBYFIMEWBF-LLVKDONJSA-N 1 0 211.309 0.837 20 30 BCEDRO C[C@@H]1CC(N=N[C@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000788449223 585924235 /nfs/dbraw/zinc/92/42/35/585924235.db2.gz WZXPRMSPKFUWGW-ZJUUUORDSA-N 1 0 223.320 0.978 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccccc2C(N)=O)N1 ZINC000788725622 585929497 /nfs/dbraw/zinc/92/94/97/585929497.db2.gz KPVREQDTMAXNEK-QMMMGPOBSA-N 1 0 245.286 0.057 20 30 BCEDRO CC#CC(=O)NC[C@H]1C[N@H+](CC(C)C)CCO1 ZINC000791199235 585975038 /nfs/dbraw/zinc/97/50/38/585975038.db2.gz IMSVYFVOTDMLJF-LBPRGKRZSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(CO)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000791349885 585978463 /nfs/dbraw/zinc/97/84/63/585978463.db2.gz CXWUGQMVQICSGP-UHFFFAOYSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)C1CC1 ZINC000791391553 585980115 /nfs/dbraw/zinc/98/01/15/585980115.db2.gz JEYQYNFVGOVZTK-UHFFFAOYSA-N 1 0 210.277 0.200 20 30 BCEDRO C=CC[N@@H+](CCCN1CCOC1=O)CCOC ZINC000792407364 586000339 /nfs/dbraw/zinc/00/03/39/586000339.db2.gz SACOBHCSFVKRSW-UHFFFAOYSA-N 1 0 242.319 0.963 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CC(C)(F)C2)CC1 ZINC000792522318 586001372 /nfs/dbraw/zinc/00/13/72/586001372.db2.gz ARTPEYIGFDCKEB-UHFFFAOYSA-N 1 0 238.306 0.902 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc(N2CCOCC2)cc1 ZINC000792843865 586005806 /nfs/dbraw/zinc/00/58/06/586005806.db2.gz DEKLEPKHEPCFMW-UHFFFAOYSA-N 1 0 247.302 0.340 20 30 BCEDRO C#CCNC(=S)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000793323854 586016710 /nfs/dbraw/zinc/01/67/10/586016710.db2.gz XEYHJWPJGONIGP-LBPRGKRZSA-N 1 0 237.372 0.522 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCO[C@H](C)C#N ZINC000794576345 586044779 /nfs/dbraw/zinc/04/47/79/586044779.db2.gz JJMWCVYYPWKMPG-MXWKQRLJSA-N 1 0 239.319 0.419 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccccc1-n1ccnn1 ZINC000794887710 586053655 /nfs/dbraw/zinc/05/36/55/586053655.db2.gz IJPGHLMTMSBMPM-UHFFFAOYSA-N 1 0 243.274 0.474 20 30 BCEDRO COCCCON=C1C[N@H+](C)C[C@@H]1C ZINC000795041665 586066344 /nfs/dbraw/zinc/06/63/44/586066344.db2.gz FOMQTKCZWSIBJE-VIFPVBQESA-N 1 0 200.282 0.977 20 30 BCEDRO CO[C@@H](C)CN(C)Cn1ccc(C)c(C#N)c1=O ZINC000795745543 586091704 /nfs/dbraw/zinc/09/17/04/586091704.db2.gz CPEQWJRMYDFMQW-NSHDSACASA-N 1 0 249.314 0.953 20 30 BCEDRO C=C(CO)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000798280792 586142149 /nfs/dbraw/zinc/14/21/49/586142149.db2.gz BHIKTCIWQCQSNM-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C(CO)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000798282575 586142249 /nfs/dbraw/zinc/14/22/49/586142249.db2.gz LMXDZQQTTNDEIF-SNVBAGLBSA-N 1 0 224.304 0.135 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](CC)CCO ZINC000798298468 586142286 /nfs/dbraw/zinc/14/22/86/586142286.db2.gz PTCCGARNLFIIAP-NSHDSACASA-N 1 0 228.336 0.629 20 30 BCEDRO C#CCOCCOC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000798840536 586151041 /nfs/dbraw/zinc/15/10/41/586151041.db2.gz BTTFNEQQFVLYKB-LLVKDONJSA-N 1 0 227.304 0.766 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCN(CC=C)C1=O)[C@@H]1CCCO1 ZINC000799167418 586163347 /nfs/dbraw/zinc/16/33/47/586163347.db2.gz XVYXCPICBJIIMR-AVGNSLFASA-N 1 0 248.326 0.544 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCN(CC=C)C1=O)[C@@H]1CCCO1 ZINC000799167420 586163349 /nfs/dbraw/zinc/16/33/49/586163349.db2.gz XVYXCPICBJIIMR-XQQFMLRXSA-N 1 0 248.326 0.544 20 30 BCEDRO C=CCC[N@@H+](C)CCC(=O)N(C)OC ZINC000799167211 586163911 /nfs/dbraw/zinc/16/39/11/586163911.db2.gz QDIGZZXZZCNSHW-UHFFFAOYSA-N 1 0 200.282 0.904 20 30 BCEDRO C=CC[N@H+](CCOC)CCC(=O)N(C)OC ZINC000799169153 586165124 /nfs/dbraw/zinc/16/51/24/586165124.db2.gz ZQYNWMPXFQLBOJ-UHFFFAOYSA-N 1 0 230.308 0.531 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cnns1 ZINC000859324954 589031482 /nfs/dbraw/zinc/03/14/82/589031482.db2.gz PWNUFKVEXLHJHB-BDAKNGLRSA-N 1 0 211.290 0.971 20 30 BCEDRO Cn1cc([C@H](O)C[NH2+][C@@H]2CC[C@H](C#N)C2)cn1 ZINC000799718663 586194190 /nfs/dbraw/zinc/19/41/90/586194190.db2.gz JABHCXCCDAZTTH-MVWJERBFSA-N 1 0 234.303 0.735 20 30 BCEDRO C#Cc1cncc(C(=O)N[C@H]2CC[N@@H+](CC)C2)c1 ZINC000839898090 586212400 /nfs/dbraw/zinc/21/24/00/586212400.db2.gz BFIOONCZCLTXTP-ZDUSSCGKSA-N 1 0 243.310 0.887 20 30 BCEDRO CC#CC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000801151495 586243734 /nfs/dbraw/zinc/24/37/34/586243734.db2.gz OTXDGUCTEZPOHM-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO CC#CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000801149909 586243779 /nfs/dbraw/zinc/24/37/79/586243779.db2.gz GZIXPLCSSLEFDT-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)N(C)OC)C1 ZINC000859445490 589037664 /nfs/dbraw/zinc/03/76/64/589037664.db2.gz JQILGUHEZQHCFR-SNVBAGLBSA-N 1 0 212.293 0.904 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)[C@H]1CCCCNC1=O ZINC000801917748 586276387 /nfs/dbraw/zinc/27/63/87/586276387.db2.gz NRPBVEMUVQVARV-MNOVXSKESA-N 1 0 239.319 0.516 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000801940747 586280973 /nfs/dbraw/zinc/28/09/73/586280973.db2.gz DPEQAXSHFUISAX-GMTAPVOTSA-N 1 0 239.319 0.549 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)CCNC(=O)N(C)C ZINC000801941429 586280990 /nfs/dbraw/zinc/28/09/90/586280990.db2.gz ZJJCDSVHIMTMBZ-SNVBAGLBSA-N 1 0 242.323 0.118 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)CCc1cnccn1 ZINC000801940995 586281073 /nfs/dbraw/zinc/28/10/73/586281073.db2.gz VZGZRYJUYPBGKX-NSHDSACASA-N 1 0 234.303 0.880 20 30 BCEDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCO[C@H](C)C#N ZINC000801943844 586281645 /nfs/dbraw/zinc/28/16/45/586281645.db2.gz JQMAMGFOSRLIRA-GRYCIOLGSA-N 1 0 242.319 0.699 20 30 BCEDRO C[C@@H](C#N)OCCN1CCN(C)C(=O)[C@@H]1C ZINC000801943929 586281873 /nfs/dbraw/zinc/28/18/73/586281873.db2.gz BORLLQLIEQRMFC-UWVGGRQHSA-N 1 0 225.292 0.078 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000801953955 586284066 /nfs/dbraw/zinc/28/40/66/586284066.db2.gz ZKGHOJPJHYWMKH-WOPDTQHZSA-N 1 0 242.319 0.387 20 30 BCEDRO C#CCCC[N@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000859557621 589045056 /nfs/dbraw/zinc/04/50/56/589045056.db2.gz VBVHEJCTFSWOIO-GFCCVEGCSA-N 1 0 225.288 0.664 20 30 BCEDRO COCC#CCOC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803495359 586360745 /nfs/dbraw/zinc/36/07/45/586360745.db2.gz OHXNRPHCANPELV-NSHDSACASA-N 1 0 227.304 0.766 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCCOC1 ZINC000804287806 586386349 /nfs/dbraw/zinc/38/63/49/586386349.db2.gz PDLLFYBFYYCOSC-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1C[C@@H](OC)C1 ZINC000804302263 586389866 /nfs/dbraw/zinc/38/98/66/586389866.db2.gz HKLNKEKIVJYHRR-PHIMTYICSA-N 1 0 226.320 0.740 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CSC[C@@H]1C ZINC000804499680 586397311 /nfs/dbraw/zinc/39/73/11/586397311.db2.gz GOWAHBPIHMXDHF-UWVGGRQHSA-N 1 0 228.361 0.972 20 30 BCEDRO CON=CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000804527069 586398529 /nfs/dbraw/zinc/39/85/29/586398529.db2.gz NYMRRQJXATVWKZ-MNOVXSKESA-N 1 0 239.319 0.704 20 30 BCEDRO C#C[C@@H](C)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000806319265 586410069 /nfs/dbraw/zinc/41/00/69/586410069.db2.gz KHGGBRWMFJNGOS-SNVBAGLBSA-N 1 0 249.318 0.588 20 30 BCEDRO C#CCCS(=O)(=O)N(C)CCCC[NH+](C)C ZINC000808298758 586469271 /nfs/dbraw/zinc/46/92/71/586469271.db2.gz RSOZVKYOTMQERL-UHFFFAOYSA-N 1 0 246.376 0.613 20 30 BCEDRO C#CCCS(=O)(=O)NCC[N@@H+](C)CCCC ZINC000808292709 586469288 /nfs/dbraw/zinc/46/92/88/586469288.db2.gz ZHABPCQWBYGBAD-UHFFFAOYSA-N 1 0 246.376 0.661 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@@H](C2CC2)C1 ZINC000808776107 586489867 /nfs/dbraw/zinc/48/98/67/586489867.db2.gz CCGPCQGEWJBJKS-GFCCVEGCSA-N 1 0 220.316 0.858 20 30 BCEDRO CCC[N@H+](C)C[C@@H]1CCN(C[C@H](O)CC#N)C1 ZINC000809577704 586507694 /nfs/dbraw/zinc/50/76/94/586507694.db2.gz ZWLWADLVCGDOGY-QWHCGFSZSA-N 1 0 239.363 0.925 20 30 BCEDRO CC[N@@H+]1CC[C@@H](CNC(=O)C=NOC)C1 ZINC000809618369 586509358 /nfs/dbraw/zinc/50/93/58/586509358.db2.gz JICXGMQPOWHFDO-VIFPVBQESA-N 1 0 213.281 0.077 20 30 BCEDRO CON=CC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000809612850 586509347 /nfs/dbraw/zinc/50/93/47/586509347.db2.gz BVLCSBSAVBRRNP-VHSXEESVSA-N 1 0 225.292 0.362 20 30 BCEDRO CON=CC(=O)NCC1CC[NH+](C)CC1 ZINC000809647744 586510532 /nfs/dbraw/zinc/51/05/32/586510532.db2.gz PGSLXMQCIPPEJG-UHFFFAOYSA-N 1 0 213.281 0.077 20 30 BCEDRO CON=CC(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000809693259 586513192 /nfs/dbraw/zinc/51/31/92/586513192.db2.gz SAMZVNXWKRJCHS-VIFPVBQESA-N 1 0 229.324 0.711 20 30 BCEDRO CON=CC(=O)N1CCCC[C@@H]1C[NH+](C)C ZINC000809700483 586514001 /nfs/dbraw/zinc/51/40/01/586514001.db2.gz HMLLBCLXVRHICY-SNVBAGLBSA-N 1 0 227.308 0.561 20 30 BCEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C=NOC)C[C@@H]1C ZINC000809740570 586516091 /nfs/dbraw/zinc/51/60/91/586516091.db2.gz DQPDSLVFHBHVDK-VHSXEESVSA-N 1 0 227.308 0.560 20 30 BCEDRO CON=CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000809769364 586519205 /nfs/dbraw/zinc/51/92/05/586519205.db2.gz FEFYQFUXJMFMAQ-UHFFFAOYSA-N 1 0 213.281 0.171 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](CC)Cn1cncn1)[C@@H]1CCCO1 ZINC000810236317 586537611 /nfs/dbraw/zinc/53/76/11/586537611.db2.gz CHORMJJPYDRTEW-AVGNSLFASA-N 1 0 248.330 0.827 20 30 BCEDRO CN(C)c1ncc(C=[NH+]N[C@H]2CCOC2)n1C ZINC000811649761 586562567 /nfs/dbraw/zinc/56/25/67/586562567.db2.gz WQRKCHVHULVCJK-VIFPVBQESA-N 1 0 237.307 0.199 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1nnc2ccccn21 ZINC000813415391 586601917 /nfs/dbraw/zinc/60/19/17/586601917.db2.gz PMEIYOXTSCGEPF-UHFFFAOYSA-N 1 0 245.286 0.786 20 30 BCEDRO C#CCCNC(=O)CC1CC[NH+](C)CC1 ZINC000813453811 586602115 /nfs/dbraw/zinc/60/21/15/586602115.db2.gz HFIBZJBRABKNNV-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C[C@@H](O)C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000814542786 586624152 /nfs/dbraw/zinc/62/41/52/586624152.db2.gz ABZQSASXNUVDDE-GHMZBOCLSA-N 1 0 227.304 0.951 20 30 BCEDRO CN(C[C@H](O)C[NH+]1CCCC1)CC(C)(C)C#N ZINC000814669464 586628169 /nfs/dbraw/zinc/62/81/69/586628169.db2.gz BPVHMBRJYDPSCZ-LBPRGKRZSA-N 1 0 239.363 0.925 20 30 BCEDRO NC(=[NH2+])NN=C1COc2cc(F)cc(F)c21 ZINC000814796950 586635013 /nfs/dbraw/zinc/63/50/13/586635013.db2.gz XUFQGICVEGZSAZ-UHFFFAOYSA-N 1 0 226.186 0.544 20 30 BCEDRO Cc1c[nH]nc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000814885947 586643086 /nfs/dbraw/zinc/64/30/86/586643086.db2.gz NSEINMJEQWUHOS-UWVGGRQHSA-N 1 0 246.318 0.912 20 30 BCEDRO CC(=NOCC(N)=O)C1CC[NH+](C)CC1 ZINC000814893274 586644189 /nfs/dbraw/zinc/64/41/89/586644189.db2.gz JZJACVGZWFHUDY-UHFFFAOYSA-N 1 0 213.281 0.206 20 30 BCEDRO CC(=NOCC(N)=O)c1cccc(C[NH+](C)C)c1 ZINC000814893024 586644327 /nfs/dbraw/zinc/64/43/27/586644327.db2.gz ABAUGGDKMKFCMI-UHFFFAOYSA-N 1 0 249.314 0.974 20 30 BCEDRO CCc1nocc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000814897329 586645287 /nfs/dbraw/zinc/64/52/87/586645287.db2.gz HRCSSXGWSICZMA-ZETCQYMHSA-N 1 0 221.264 0.508 20 30 BCEDRO CCN(C)c1ccc(C=[NH+]NCCO)cn1 ZINC000814943415 586657403 /nfs/dbraw/zinc/65/74/03/586657403.db2.gz FDNHMDGSVSKBLK-UHFFFAOYSA-N 1 0 222.292 0.454 20 30 BCEDRO CC[N@@H+]1CCC(=NNC[C@H](C)O)[C@H](C)C1 ZINC000814966509 586658334 /nfs/dbraw/zinc/65/83/34/586658334.db2.gz MZRIPJKITCJYJQ-ZJUUUORDSA-N 1 0 213.325 0.675 20 30 BCEDRO C[C@H](O)CN[NH+]=Cc1ccc2c(c1)CCN2C ZINC000814961373 586659495 /nfs/dbraw/zinc/65/94/95/586659495.db2.gz HLPCLJOZVUQNIX-JTQLQIEISA-N 1 0 233.315 0.983 20 30 BCEDRO CC(C)[N@H+]1CC(N=Nc2cnnn2C)[C@H](C)C1 ZINC000814979347 586662480 /nfs/dbraw/zinc/66/24/80/586662480.db2.gz HEPCBNFMRCAFPD-SECBINFHSA-N 1 0 236.323 0.943 20 30 BCEDRO C[C@H]1CC(N=Nc2cnnn2C)CC[N@@H+]1C ZINC000814981639 586662826 /nfs/dbraw/zinc/66/28/26/586662826.db2.gz MUKPWEIJSJSCFE-QMMMGPOBSA-N 1 0 222.296 0.697 20 30 BCEDRO C#CCNC(=O)CCN1CCC([NH+](C)C)CC1 ZINC000815016029 586663868 /nfs/dbraw/zinc/66/38/68/586663868.db2.gz WENRYBNEUBJTQG-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CCO)CC(C)(C)C ZINC000815042230 586664314 /nfs/dbraw/zinc/66/43/14/586664314.db2.gz IIEDBQFVYWLUHW-UHFFFAOYSA-N 1 0 240.347 0.466 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCOC[C@H](C)C1 ZINC000815075993 586665097 /nfs/dbraw/zinc/66/50/97/586665097.db2.gz RRIBAMASBXZZCV-LLVKDONJSA-N 1 0 224.304 0.094 20 30 BCEDRO CCO[C@H]1COCC[C@H]1[NH2+]CCOCCC#N ZINC000815095060 586666037 /nfs/dbraw/zinc/66/60/37/586666037.db2.gz LKDYACQKDVPLRG-NEPJUHHUSA-N 1 0 242.319 0.700 20 30 BCEDRO COC[C@H]([NH2+]CCOCCC#N)[C@@H]1CCCO1 ZINC000815102449 586666669 /nfs/dbraw/zinc/66/66/69/586666669.db2.gz IZORVYOZDHXRHY-RYUDHWBXSA-N 1 0 242.319 0.700 20 30 BCEDRO C#CCC(CC#C)C(=O)NOC1CC[NH+](C)CC1 ZINC000816533077 586739147 /nfs/dbraw/zinc/73/91/47/586739147.db2.gz IBQAQYPEVSRORQ-UHFFFAOYSA-N 1 0 248.326 0.791 20 30 BCEDRO C#CCCCC(=O)NOC1CC[NH+](C)CC1 ZINC000816534073 586739472 /nfs/dbraw/zinc/73/94/72/586739472.db2.gz VLOFJAQKOJCXCF-UHFFFAOYSA-N 1 0 224.304 0.932 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000816673404 586754233 /nfs/dbraw/zinc/75/42/33/586754233.db2.gz YECQNHMHZAAHJC-SDDRHHMPSA-N 1 0 238.331 0.217 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H]2C[C@H]21 ZINC000816896815 586769817 /nfs/dbraw/zinc/76/98/17/586769817.db2.gz SMFXJYHUGMAWRH-ZJUUUORDSA-N 1 0 210.277 0.104 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1nc(C)n(C)n1 ZINC000817018707 586779035 /nfs/dbraw/zinc/77/90/35/586779035.db2.gz RVBVNSMYEBBKFD-UHFFFAOYSA-N 1 0 223.280 0.180 20 30 BCEDRO NC(=O)CN[NH+]=C1CCCCc2ccc(N)cc21 ZINC000817326739 586794588 /nfs/dbraw/zinc/79/45/88/586794588.db2.gz VFULNTHIAZKEQA-UHFFFAOYSA-N 1 0 246.314 0.774 20 30 BCEDRO CN(C[C@H]1CCC[N@@H+]1C)C(=O)C#CC1CC1 ZINC000817677859 586817575 /nfs/dbraw/zinc/81/75/75/586817575.db2.gz ICAHPTXCECRTIT-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCSCCNC(=O)NC(C)(C)CC[NH3+] ZINC000817876167 586831457 /nfs/dbraw/zinc/83/14/57/586831457.db2.gz MKVGDACHWZKEAH-UHFFFAOYSA-N 1 0 243.376 0.779 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@H](C)F ZINC000818288395 586884051 /nfs/dbraw/zinc/88/40/51/586884051.db2.gz ZAIPBYDRVJOALU-VIFPVBQESA-N 1 0 202.273 0.969 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@@H](C)F ZINC000818288394 586884096 /nfs/dbraw/zinc/88/40/96/586884096.db2.gz ZAIPBYDRVJOALU-SECBINFHSA-N 1 0 202.273 0.969 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C1(CC)COC1 ZINC000818588926 586904011 /nfs/dbraw/zinc/90/40/11/586904011.db2.gz JPZQFJRECFQIFK-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1coc(C)n1 ZINC000818602890 586904470 /nfs/dbraw/zinc/90/44/70/586904470.db2.gz IXWDLOSZESPSIT-UHFFFAOYSA-N 1 0 235.287 0.668 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ncccn1 ZINC000818606031 586905284 /nfs/dbraw/zinc/90/52/84/586905284.db2.gz AYDBDJYYWNVCOS-UHFFFAOYSA-N 1 0 232.287 0.162 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1nonc1C ZINC000818615804 586906706 /nfs/dbraw/zinc/90/67/06/586906706.db2.gz WBSREITVQGCUIE-UHFFFAOYSA-N 1 0 236.275 0.063 20 30 BCEDRO C=CCOCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818612560 586906827 /nfs/dbraw/zinc/90/68/27/586906827.db2.gz SMCLYAGZCNDWFE-GFCCVEGCSA-N 1 0 224.304 0.544 20 30 BCEDRO CC[C@@H](O)C[NH2+]CCNc1ncccc1C#N ZINC000818976034 586919206 /nfs/dbraw/zinc/91/92/06/586919206.db2.gz RKKKOOAXPYMUDN-LLVKDONJSA-N 1 0 234.303 0.726 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@]1(O)CCC[C@H]1C ZINC000818991811 586920644 /nfs/dbraw/zinc/92/06/44/586920644.db2.gz FMQLVZLHFWADES-DGCLKSJQSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC(F)(F)C1 ZINC000819170947 586934751 /nfs/dbraw/zinc/93/47/51/586934751.db2.gz QLFGTQXPJDATIP-SECBINFHSA-N 1 0 230.258 0.903 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1ccc[nH]1 ZINC000819194281 586937421 /nfs/dbraw/zinc/93/74/21/586937421.db2.gz QNPWEIJKKDKPIA-JTQLQIEISA-N 1 0 219.288 0.805 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)[C@H]1CCCO1 ZINC000819242087 586940538 /nfs/dbraw/zinc/94/05/38/586940538.db2.gz JKLLPOCZNIUKIK-OUAUKWLOSA-N 1 0 245.344 0.190 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)COC(C)C ZINC000819230989 586941215 /nfs/dbraw/zinc/94/12/15/586941215.db2.gz OISPYBQLNOEHAL-NSHDSACASA-N 1 0 215.293 0.012 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)c1ccccc1 ZINC000819231225 586941286 /nfs/dbraw/zinc/94/12/86/586941286.db2.gz RMAWMJROHVCHHJ-CYBMUJFWSA-N 1 0 219.284 0.959 20 30 BCEDRO C#CCOCC[NH2+]CCC(=O)Nc1cccnc1 ZINC000819230983 586941375 /nfs/dbraw/zinc/94/13/75/586941375.db2.gz ODMWYADWXJZBDA-UHFFFAOYSA-N 1 0 247.298 0.650 20 30 BCEDRO C=CCCC[NH2+]CCC(=O)N(C)OC ZINC000819273446 586946554 /nfs/dbraw/zinc/94/65/54/586946554.db2.gz RDEWHYHBGOIAKM-UHFFFAOYSA-N 1 0 200.282 0.952 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](O)CC1 ZINC000819318917 586950989 /nfs/dbraw/zinc/95/09/89/586950989.db2.gz YBZCTAOUWTWHOY-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(CO)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000819718020 586988200 /nfs/dbraw/zinc/98/82/00/586988200.db2.gz BSRNIWVMQGGXMJ-WDEREUQCSA-N 1 0 224.304 0.088 20 30 BCEDRO OCC[NH+]1CCC(=NOCC(F)F)CC1 ZINC000819812746 586995540 /nfs/dbraw/zinc/99/55/40/586995540.db2.gz OTFPTBMBCJMZCY-UHFFFAOYSA-N 1 0 222.235 0.712 20 30 BCEDRO OCC[NH+]1CCC(=NO[C@@H]2CCCCO2)CC1 ZINC000819809096 586996561 /nfs/dbraw/zinc/99/65/61/586996561.db2.gz OABXSOGRNVEJMV-GFCCVEGCSA-N 1 0 242.319 0.974 20 30 BCEDRO CC[C@@H](C)NN=C1CC[NH+](CCO)CC1 ZINC000819809407 586996580 /nfs/dbraw/zinc/99/65/80/586996580.db2.gz GQQBQPZIAUSWPV-SNVBAGLBSA-N 1 0 213.325 0.819 20 30 BCEDRO OCC[NH+]1CCC(=NN[C@H]2CCSC2)CC1 ZINC000819812394 586997179 /nfs/dbraw/zinc/99/71/79/586997179.db2.gz CBQGPYWNMVJOBL-NSHDSACASA-N 1 0 243.376 0.526 20 30 BCEDRO OCC[NH+]1CCC(=NN[C@@H]2CCCOC2)CC1 ZINC000819810135 586997489 /nfs/dbraw/zinc/99/74/89/586997489.db2.gz ZBYFKGNBTDSSEG-GFCCVEGCSA-N 1 0 241.335 0.199 20 30 BCEDRO CC(C)n1cncc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000819813036 586997765 /nfs/dbraw/zinc/99/77/65/586997765.db2.gz RQOOOBBLINIMSU-SECBINFHSA-N 1 0 234.307 0.735 20 30 BCEDRO C#CCOCCNc1cc(C)ncc1C#N ZINC000819924308 586999924 /nfs/dbraw/zinc/99/99/24/586999924.db2.gz LUPXDVMCYQLLCY-UHFFFAOYSA-N 1 0 215.256 0.745 20 30 BCEDRO C#CC(C)(C)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000819971966 587009587 /nfs/dbraw/zinc/00/95/87/587009587.db2.gz SFVIASUACSRXLB-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(CC)CCC[NH+](C)C ZINC000820413192 587047062 /nfs/dbraw/zinc/04/70/62/587047062.db2.gz VXPVISGMENOROC-LLVKDONJSA-N 1 0 225.336 0.991 20 30 BCEDRO C#C[C@H](C)NC(=O)N(CCOC)CC[NH+](C)C ZINC000820436213 587049078 /nfs/dbraw/zinc/04/90/78/587049078.db2.gz UKCXDKAYWXOWRQ-NSHDSACASA-N 1 0 241.335 0.228 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000820439723 587049287 /nfs/dbraw/zinc/04/92/87/587049287.db2.gz CGUYNJFVTAGJBR-NSHDSACASA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000820436237 587049306 /nfs/dbraw/zinc/04/93/06/587049306.db2.gz UQBPFVNAWBDOHQ-ZYHUDNBSSA-N 1 0 235.331 0.886 20 30 BCEDRO C#CCN(CC#C)C(=O)C1(C[NH+](C)C)CC1 ZINC000820457982 587050007 /nfs/dbraw/zinc/05/00/07/587050007.db2.gz QWECVOKTMKLGGY-UHFFFAOYSA-N 1 0 218.300 0.423 20 30 BCEDRO C=C(Br)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860159128 589083201 /nfs/dbraw/zinc/08/32/01/589083201.db2.gz YMGZRDPFEZAOQP-HTQZYQBOSA-N 1 0 246.104 1.000 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164868 589084867 /nfs/dbraw/zinc/08/48/67/589084867.db2.gz OTXCMXXUQHZNON-IVZWLZJFSA-N 1 0 208.261 0.783 20 30 BCEDRO C#CC[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000821269578 587104801 /nfs/dbraw/zinc/10/48/01/587104801.db2.gz FKJAJCPBPXVDNZ-UHFFFAOYSA-N 1 0 205.265 0.200 20 30 BCEDRO C#C[C@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCO1 ZINC000822072847 587150924 /nfs/dbraw/zinc/15/09/24/587150924.db2.gz NHFKYSMEEIWDKY-NWDGAFQWSA-N 1 0 236.315 0.379 20 30 BCEDRO CON=CC(=O)NCCC[NH+]1CCCC1 ZINC000822230176 587158795 /nfs/dbraw/zinc/15/87/95/587158795.db2.gz XQCAKNHWZYUWLY-UHFFFAOYSA-N 1 0 213.281 0.221 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000822236583 587159245 /nfs/dbraw/zinc/15/92/45/587159245.db2.gz GHODKFDAWOMWTG-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#C[C@H](CC)NC(=O)C1(C[NH+](C)C)CC1 ZINC000822408110 587166513 /nfs/dbraw/zinc/16/65/13/587166513.db2.gz ZCALQFOZAIODEA-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO CC1(C#N)CN(C(=O)C[NH+]2CCCC2)C1 ZINC000822616981 587177853 /nfs/dbraw/zinc/17/78/53/587177853.db2.gz NNOGXXOYTFZULV-UHFFFAOYSA-N 1 0 207.277 0.454 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000822680914 587180660 /nfs/dbraw/zinc/18/06/60/587180660.db2.gz WLXSDSDANGAKAZ-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000823030624 587197326 /nfs/dbraw/zinc/19/73/26/587197326.db2.gz ZIKUPZXJAWZYQC-NWDGAFQWSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000823024516 587198437 /nfs/dbraw/zinc/19/84/37/587198437.db2.gz DGEQKOZXAKCCRO-VXGBXAGGSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000823030623 587198452 /nfs/dbraw/zinc/19/84/52/587198452.db2.gz ZIKUPZXJAWZYQC-NEPJUHHUSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000823132805 587204347 /nfs/dbraw/zinc/20/43/47/587204347.db2.gz IMSRTFYCMKWVCB-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000823204685 587208593 /nfs/dbraw/zinc/20/85/93/587208593.db2.gz LABLFUSBBSMVLH-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C=CCCc1noc(C[C@H]2COCC[NH2+]2)n1 ZINC000823263137 587212466 /nfs/dbraw/zinc/21/24/66/587212466.db2.gz DCIBYCSBCMUVBC-VIFPVBQESA-N 1 0 223.276 0.719 20 30 BCEDRO C=CCCc1noc([C@H]2C[NH2+]CCO2)n1 ZINC000823263365 587212501 /nfs/dbraw/zinc/21/25/01/587212501.db2.gz HMQLHNJPEWMWKL-MRVPVSSYSA-N 1 0 209.249 0.849 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000823304802 587215283 /nfs/dbraw/zinc/21/52/83/587215283.db2.gz DASRNMZORRMMRV-NWDGAFQWSA-N 1 0 240.347 0.727 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000823304933 587215534 /nfs/dbraw/zinc/21/55/34/587215534.db2.gz DASRNMZORRMMRV-RYUDHWBXSA-N 1 0 240.347 0.727 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000823541012 587230230 /nfs/dbraw/zinc/23/02/30/587230230.db2.gz GXCHEQPNEDVXLC-LLVKDONJSA-N 1 0 236.315 0.189 20 30 BCEDRO C=C(CO)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824086736 587254277 /nfs/dbraw/zinc/25/42/77/587254277.db2.gz OHWWPZFWSABGFU-VHSXEESVSA-N 1 0 226.320 0.380 20 30 BCEDRO C=C(CO)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824106014 587256121 /nfs/dbraw/zinc/25/61/21/587256121.db2.gz CMKCEHVBCSVIBN-PHIMTYICSA-N 1 0 224.304 0.278 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCCN(C)OC ZINC000824567677 587277225 /nfs/dbraw/zinc/27/72/25/587277225.db2.gz OUGSSEGUPIOJKE-UHFFFAOYSA-N 1 0 229.324 0.104 20 30 BCEDRO C#Cc1ccc(C[N@@H+]2C[C@@H](O)[C@H](OC)C2)cc1 ZINC000825025209 587298911 /nfs/dbraw/zinc/29/89/11/587298911.db2.gz ZLBAFJOLENDAKM-ZIAGYGMSSA-N 1 0 231.295 0.859 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000825080357 587303209 /nfs/dbraw/zinc/30/32/09/587303209.db2.gz NUCDYDNVUIWMIB-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCCNc1cc[nH+]cc1 ZINC000825504035 587322086 /nfs/dbraw/zinc/32/20/86/587322086.db2.gz MEXKNKJUVVRTLY-LLVKDONJSA-N 1 0 247.298 0.070 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000826085444 587350523 /nfs/dbraw/zinc/35/05/23/587350523.db2.gz FGJQDSNMDXYZBX-NWDGAFQWSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+](CC)CCC ZINC000826591469 587356056 /nfs/dbraw/zinc/35/60/56/587356056.db2.gz ZQEOHJFYQBATSW-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC000826656606 587358145 /nfs/dbraw/zinc/35/81/45/587358145.db2.gz SKECESRAFIQWOX-UHFFFAOYSA-N 1 0 248.330 0.719 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H]1c2ccccc2CN1C ZINC000826696587 587359187 /nfs/dbraw/zinc/35/91/87/587359187.db2.gz ONELNJCDVIQYPT-STQMWFEESA-N 1 0 246.310 0.836 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(C(=O)C#CC3CC3)CC[C@H]21 ZINC000827245068 587373629 /nfs/dbraw/zinc/37/36/29/587373629.db2.gz ICBOIMAPTATEJR-QWHCGFSZSA-N 1 0 232.327 0.952 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827246435 587374048 /nfs/dbraw/zinc/37/40/48/587374048.db2.gz RECQBZRWAAUOBD-LOWVWBTDSA-N 1 0 238.331 0.476 20 30 BCEDRO C#Cc1cnc(N2CC[NH+](CCC)CC2)nc1 ZINC000827287486 587375505 /nfs/dbraw/zinc/37/55/05/587375505.db2.gz LFXDBAWNWKSTIW-UHFFFAOYSA-N 1 0 230.315 0.990 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ncccc1CO ZINC000827315594 587376930 /nfs/dbraw/zinc/37/69/30/587376930.db2.gz NXEXASNCDVDADM-UHFFFAOYSA-N 1 0 235.287 0.630 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000827488787 587382665 /nfs/dbraw/zinc/38/26/65/587382665.db2.gz LEEVLQNRHBHZAM-GHMZBOCLSA-N 1 0 228.336 0.626 20 30 BCEDRO C=C[C@H](CC)CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000827528771 587385914 /nfs/dbraw/zinc/38/59/14/587385914.db2.gz QJUABPKYZLATLC-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000828145671 587421432 /nfs/dbraw/zinc/42/14/32/587421432.db2.gz QSUSMHKGAGSTDO-NSHDSACASA-N 1 0 238.331 0.577 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@](C)(O)C1 ZINC000828145552 587421556 /nfs/dbraw/zinc/42/15/56/587421556.db2.gz LWYUOHQJWQMIRQ-GFCCVEGCSA-N 1 0 226.320 0.478 20 30 BCEDRO C#C[C@H]([NH2+]CCC[C@@H](C)O)[C@@H]1CCCO1 ZINC000828952876 587474856 /nfs/dbraw/zinc/47/48/56/587474856.db2.gz DKBDOUGRZSUUMX-WOPDTQHZSA-N 1 0 211.305 0.918 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)[C@@H](O)CCC)C1 ZINC000829582001 587504298 /nfs/dbraw/zinc/50/42/98/587504298.db2.gz IBBCLQKBOBAKFD-NEPJUHHUSA-N 1 0 238.331 0.361 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000829706092 587510658 /nfs/dbraw/zinc/51/06/58/587510658.db2.gz YRSARFISLZVBPX-MXWKQRLJSA-N 1 0 226.320 0.522 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000829783720 587515728 /nfs/dbraw/zinc/51/57/28/587515728.db2.gz BAMHZBSJJBQZSS-NSHDSACASA-N 1 0 244.360 0.400 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000829779035 587515979 /nfs/dbraw/zinc/51/59/79/587515979.db2.gz MCRYYTBLNNNMPF-LLVKDONJSA-N 1 0 249.314 0.274 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000829788826 587516172 /nfs/dbraw/zinc/51/61/72/587516172.db2.gz HQQURERRNNRRKS-GHMZBOCLSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000829793065 587516810 /nfs/dbraw/zinc/51/68/10/587516810.db2.gz LGGKQIZFUMRPAS-LLVKDONJSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H](CC[NH+](C)C)OCC ZINC000829851757 587524226 /nfs/dbraw/zinc/52/42/26/587524226.db2.gz KOTKIGHMOYDFNP-QWRGUYRKSA-N 1 0 244.335 0.006 20 30 BCEDRO N#CC[C@@]1(O)CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000830007023 587531947 /nfs/dbraw/zinc/53/19/47/587531947.db2.gz QEYNLLPVXBWGHS-WDEREUQCSA-N 1 0 210.277 0.108 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@](C)(O)CC)CC1 ZINC000830162520 587539911 /nfs/dbraw/zinc/53/99/11/587539911.db2.gz KZYPTTTTYFAVSG-ZDUSSCGKSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@](C)(O)CC)CC1 ZINC000830162518 587539922 /nfs/dbraw/zinc/53/99/22/587539922.db2.gz KZYPTTTTYFAVSG-CYBMUJFWSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000830156734 587539938 /nfs/dbraw/zinc/53/99/38/587539938.db2.gz XEYYELBKDVJWOL-NSHDSACASA-N 1 0 236.315 0.331 20 30 BCEDRO C#CCNC(=O)CN1CCOC[C@H]1C1CCC1 ZINC000830242817 587543630 /nfs/dbraw/zinc/54/36/30/587543630.db2.gz CHZNUSLNLFHXNN-LBPRGKRZSA-N 1 0 236.315 0.237 20 30 BCEDRO C[C@@H](C#N)OCCN(C1CC1)C1COC1 ZINC000830240579 587543751 /nfs/dbraw/zinc/54/37/51/587543751.db2.gz CSCCOXXTBJMJQA-VIFPVBQESA-N 1 0 210.277 0.778 20 30 BCEDRO C#CC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000830345545 587546234 /nfs/dbraw/zinc/54/62/34/587546234.db2.gz HWCXQZXJAWNLKE-JTQLQIEISA-N 1 0 220.272 0.137 20 30 BCEDRO C#CC[N@H+]1CC[C@](C(=O)NC)(C(F)(F)F)C1 ZINC000830674338 587563724 /nfs/dbraw/zinc/56/37/24/587563724.db2.gz MBUUCQYALXAAPO-VIFPVBQESA-N 1 0 234.221 0.620 20 30 BCEDRO C#CCNC(=O)CC[N@H+](CC)CCSC ZINC000830999406 587581624 /nfs/dbraw/zinc/58/16/24/587581624.db2.gz IOJOGWHNLDNBKV-UHFFFAOYSA-N 1 0 228.361 0.811 20 30 BCEDRO C#CCSCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000831044965 587583620 /nfs/dbraw/zinc/58/36/20/587583620.db2.gz OAHAREFXKXFXSN-NSHDSACASA-N 1 0 241.360 0.404 20 30 BCEDRO C#CCCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000831151663 587588218 /nfs/dbraw/zinc/58/82/18/587588218.db2.gz ZVOLWSVMJKKYMZ-UWVGGRQHSA-N 1 0 211.309 0.825 20 30 BCEDRO COCC#CCN1CC[C@@](O)(C(F)F)C1 ZINC000831176743 587589679 /nfs/dbraw/zinc/58/96/79/587589679.db2.gz ZHIOAPMJFSLYHG-JTQLQIEISA-N 1 0 219.231 0.338 20 30 BCEDRO C#CCCNC(=O)NCCCCCC[NH3+] ZINC000831264248 587594415 /nfs/dbraw/zinc/59/44/15/587594415.db2.gz YQERODDHEZXJNT-UHFFFAOYSA-N 1 0 211.309 0.828 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@](C)(OC)C1(C)C ZINC000831340009 587599608 /nfs/dbraw/zinc/59/96/08/587599608.db2.gz ZJCHAGXWERUZHI-GXFFZTMASA-N 1 0 238.331 0.529 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000831386807 587602573 /nfs/dbraw/zinc/60/25/73/587602573.db2.gz QUHDZLBIPCABJA-YUSALJHKSA-N 1 0 238.331 0.385 20 30 BCEDRO C=CCN(C(=O)[C@@]1(F)CC[NH2+]C1)C1CC1 ZINC000831506006 587615412 /nfs/dbraw/zinc/61/54/12/587615412.db2.gz NSSDIDIBJGBSPI-LLVKDONJSA-N 1 0 212.268 0.865 20 30 BCEDRO CCO[C@@H](CNC(=O)[C@H](C)CC#N)C[NH+](C)C ZINC000831709341 587628634 /nfs/dbraw/zinc/62/86/34/587628634.db2.gz ZCVAHLVKLZHLKA-MNOVXSKESA-N 1 0 241.335 0.619 20 30 BCEDRO C#CCCCC(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000831725336 587628886 /nfs/dbraw/zinc/62/88/86/587628886.db2.gz YVTASYSYQICUEI-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@H](CO)CC(C)(C)C ZINC000832084669 587644773 /nfs/dbraw/zinc/64/47/73/587644773.db2.gz MTSYGPCTPSGODF-NSHDSACASA-N 1 0 240.347 0.465 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000832208051 587650242 /nfs/dbraw/zinc/65/02/42/587650242.db2.gz XZTWWCOFFCSNNO-NSHDSACASA-N 1 0 224.304 0.302 20 30 BCEDRO C#C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000832411744 587658983 /nfs/dbraw/zinc/65/89/83/587658983.db2.gz JXNOLHLITSUSMY-MNOVXSKESA-N 1 0 236.315 0.378 20 30 BCEDRO CC(C)C#CC(=O)NC1CN(C(C)C)C1 ZINC000832486412 587662987 /nfs/dbraw/zinc/66/29/87/587662987.db2.gz SDPQVGCTKIGZSI-UHFFFAOYSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](NC(=O)N(C)C)C1 ZINC000832550516 587665856 /nfs/dbraw/zinc/66/58/56/587665856.db2.gz QYCCARACCQXOMB-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1[C@H](C)CCC1(C)C ZINC000832564093 587666677 /nfs/dbraw/zinc/66/66/77/587666677.db2.gz CELZSNXWFVIHPT-SNVBAGLBSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCC(CC#C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000832690704 587677828 /nfs/dbraw/zinc/67/78/28/587677828.db2.gz JRCDXMXYIAJMLU-KGLIPLIRSA-N 1 0 244.338 0.812 20 30 BCEDRO C=CCCCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000834317159 587751268 /nfs/dbraw/zinc/75/12/68/587751268.db2.gz RDEYPFIAOCLJDN-QWRGUYRKSA-N 1 0 226.320 0.917 20 30 BCEDRO CC1(C#N)CN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000834374756 587753411 /nfs/dbraw/zinc/75/34/11/587753411.db2.gz XMBHGWFHJQZVFP-NSHDSACASA-N 1 0 223.320 0.289 20 30 BCEDRO Cc1cc(C)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)o1 ZINC000834479345 587755992 /nfs/dbraw/zinc/75/59/92/587755992.db2.gz DCNDQGYHQRPNHJ-NXEZZACHSA-N 1 0 233.271 0.738 20 30 BCEDRO CC[C@@H]1CC[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)O1 ZINC000834480044 587756009 /nfs/dbraw/zinc/75/60/09/587756009.db2.gz KMXKGHAGDCVRTO-LNFKQOIKSA-N 1 0 237.303 0.172 20 30 BCEDRO COCCC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000834479607 587756113 /nfs/dbraw/zinc/75/61/13/587756113.db2.gz GSOILLKMHIBAAS-NXEZZACHSA-N 1 0 237.303 0.031 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000834479552 587756150 /nfs/dbraw/zinc/75/61/50/587756150.db2.gz FVXPDXSGCZZLLL-GCHJQGSQSA-N 1 0 233.315 0.650 20 30 BCEDRO CCC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCC1 ZINC000834479411 587756167 /nfs/dbraw/zinc/75/61/67/587756167.db2.gz DMDFAVXOXYKVBX-NXEZZACHSA-N 1 0 221.304 0.794 20 30 BCEDRO Cc1cccnc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834479233 587756277 /nfs/dbraw/zinc/75/62/77/587756277.db2.gz BHPVJTOUNFWITO-NXEZZACHSA-N 1 0 230.271 0.231 20 30 BCEDRO CCCC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000834481056 587756355 /nfs/dbraw/zinc/75/63/55/587756355.db2.gz ZNKANIHVGHEIJV-ZJUUUORDSA-N 1 0 221.304 0.794 20 30 BCEDRO Cc1cc(F)cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834480459 587756371 /nfs/dbraw/zinc/75/63/71/587756371.db2.gz QGPRUJSSWCCXEI-PWSUYJOCSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCC(F)(F)F ZINC000834480777 587756394 /nfs/dbraw/zinc/75/63/94/587756394.db2.gz VZGBZZFUJCIUHS-RQJHMYQMSA-N 1 0 235.209 0.557 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCC1CCC1 ZINC000834480730 587756445 /nfs/dbraw/zinc/75/64/45/587756445.db2.gz VJKNORPEBZJBCI-WDEREUQCSA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCC(F)(F)F ZINC000834480776 587756451 /nfs/dbraw/zinc/75/64/51/587756451.db2.gz VZGBZZFUJCIUHS-RNFRBKRXSA-N 1 0 235.209 0.557 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCC1CCC1 ZINC000834480727 587756483 /nfs/dbraw/zinc/75/64/83/587756483.db2.gz VJKNORPEBZJBCI-GHMZBOCLSA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1cccc(N)c1 ZINC000834493820 587756897 /nfs/dbraw/zinc/75/68/97/587756897.db2.gz HSPLABXRCLMNEE-ZYHUDNBSSA-N 1 0 244.298 0.039 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)COC1CCCC1 ZINC000834490061 587756923 /nfs/dbraw/zinc/75/69/23/587756923.db2.gz RDENMTONVBBKGC-KOLCDFICSA-N 1 0 237.303 0.173 20 30 BCEDRO CC(C)c1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)on1 ZINC000834489755 587756963 /nfs/dbraw/zinc/75/69/63/587756963.db2.gz PDGQBHUVRCIZLA-SCZZXKLOSA-N 1 0 248.286 0.639 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccccc1O ZINC000834493378 587757041 /nfs/dbraw/zinc/75/70/41/587757041.db2.gz DEJWDCIHVVIZQE-QWRGUYRKSA-N 1 0 245.282 0.162 20 30 BCEDRO Cc1ccc(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834490331 587757185 /nfs/dbraw/zinc/75/71/85/587757185.db2.gz UEYZCRNKVOYQIY-VXGBXAGGSA-N 1 0 244.298 0.160 20 30 BCEDRO Cc1cncc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834490535 587757197 /nfs/dbraw/zinc/75/71/97/587757197.db2.gz VQRWPFIGZZPSKP-GHMZBOCLSA-N 1 0 230.271 0.231 20 30 BCEDRO CCCCOCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834490989 587757263 /nfs/dbraw/zinc/75/72/63/587757263.db2.gz ZEDTVSDJDPMGCA-NXEZZACHSA-N 1 0 225.292 0.031 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(C2CC2)no1 ZINC000834498651 587757301 /nfs/dbraw/zinc/75/73/01/587757301.db2.gz BHRKIFAVQBGDIX-WCBMZHEXSA-N 1 0 246.270 0.393 20 30 BCEDRO CCCCO[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834495433 587757346 /nfs/dbraw/zinc/75/73/46/587757346.db2.gz VOJTVWPQLAHOCZ-MXWKQRLJSA-N 1 0 239.319 0.419 20 30 BCEDRO CC[C@H](C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834499411 587757380 /nfs/dbraw/zinc/75/73/80/587757380.db2.gz IEVOCAMXLRJKTP-AEJSXWLSSA-N 1 0 209.293 0.650 20 30 BCEDRO Cc1cccc(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834495665 587757436 /nfs/dbraw/zinc/75/74/36/587757436.db2.gz XNWLQVPYJBGOMN-CHWSQXEVSA-N 1 0 243.310 0.765 20 30 BCEDRO CC(C)c1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)no1 ZINC000834498878 587757439 /nfs/dbraw/zinc/75/74/39/587757439.db2.gz CNSAWMMWTUQLJD-PSASIEDQSA-N 1 0 248.286 0.639 20 30 BCEDRO CC(C)n1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834498814 587757502 /nfs/dbraw/zinc/75/75/02/587757502.db2.gz BUXWSVRAYDTJRF-GXSJLCMTSA-N 1 0 247.302 0.305 20 30 BCEDRO COCCCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834494236 587757643 /nfs/dbraw/zinc/75/76/43/587757643.db2.gz LXJBMKXPMOAJEG-UWVGGRQHSA-N 1 0 225.292 0.031 20 30 BCEDRO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)O1 ZINC000834504407 587757702 /nfs/dbraw/zinc/75/77/02/587757702.db2.gz AULNCEMGVKNEPD-UNQZSWDGSA-N 1 0 237.303 0.028 20 30 BCEDRO CC[C@H](C)[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834501135 587757916 /nfs/dbraw/zinc/75/79/16/587757916.db2.gz ZMUSCMUNXOJWKX-MMWGEVLESA-N 1 0 223.320 0.896 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCc1ccccc1 ZINC000834505452 587757953 /nfs/dbraw/zinc/75/79/53/587757953.db2.gz LEAMDXGPBWSMHJ-OLZOCXBDSA-N 1 0 243.310 0.847 20 30 BCEDRO Cc1noc(C)c1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834505100 587757971 /nfs/dbraw/zinc/75/79/71/587757971.db2.gz HXQWZYRKDDVETL-DTWKUNHWSA-N 1 0 234.259 0.133 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1cccs1 ZINC000834512140 587758179 /nfs/dbraw/zinc/75/81/79/587758179.db2.gz SCWJPWHHCQUHBG-ONGXEEELSA-N 1 0 249.339 0.908 20 30 BCEDRO Cc1ccoc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834510492 587758193 /nfs/dbraw/zinc/75/81/93/587758193.db2.gz BPUYIOSUMSPXMC-DTWKUNHWSA-N 1 0 219.244 0.429 20 30 BCEDRO Cc1ccc(F)cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834517111 587758537 /nfs/dbraw/zinc/75/85/37/587758537.db2.gz QJJXWDOBIUYJHQ-BXKDBHETSA-N 1 0 247.273 0.976 20 30 BCEDRO CC(C)OCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834517807 587758545 /nfs/dbraw/zinc/75/85/45/587758545.db2.gz ZJHXRBIBHHYTAQ-UWVGGRQHSA-N 1 0 225.292 0.029 20 30 BCEDRO Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1O ZINC000834512542 587758568 /nfs/dbraw/zinc/75/85/68/587758568.db2.gz YMNLORPSNIHOQD-GXSJLCMTSA-N 1 0 245.282 0.542 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@H]1CCCO1 ZINC000834515738 587758582 /nfs/dbraw/zinc/75/85/82/587758582.db2.gz BJCTTWCFQYNBCQ-GMTAPVOTSA-N 1 0 237.303 0.173 20 30 BCEDRO C[C@@H]1CNC(NN=C2C[C@H](C)O[C@H]2C)=[NH+]1 ZINC000834969912 587774235 /nfs/dbraw/zinc/77/42/35/587774235.db2.gz JRCOJQFQWIMGLD-CSMHCCOUSA-N 1 0 210.281 0.477 20 30 BCEDRO C[C@@H]1CNC(NN=C2COCC2(C)C)=[NH+]1 ZINC000834971231 587774312 /nfs/dbraw/zinc/77/43/12/587774312.db2.gz VSHILLIZUPUIMS-SSDOTTSWSA-N 1 0 210.281 0.336 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000836625579 587835700 /nfs/dbraw/zinc/83/57/00/587835700.db2.gz SUPNLAIJUCHRFI-WAAKLRNESA-N 1 0 235.331 0.933 20 30 BCEDRO CON=CC(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000837193548 587859055 /nfs/dbraw/zinc/85/90/55/587859055.db2.gz VLUJVNJFTRBIRD-JTQLQIEISA-N 1 0 227.308 0.560 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](C)O1 ZINC000837282929 587863638 /nfs/dbraw/zinc/86/36/38/587863638.db2.gz NPUBGXRVPXDRTD-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO COCC[N@H+](C)CCCNC(=O)C#CC1CC1 ZINC000837343042 587867786 /nfs/dbraw/zinc/86/77/86/587867786.db2.gz DMGKXBMBWNBSNW-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000837388048 587870413 /nfs/dbraw/zinc/87/04/13/587870413.db2.gz KVYZNDUJVAEHBX-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C[C@H](CNC(=O)C#CC1CC1)[N@H+](C)C1CC1 ZINC000837391975 587870536 /nfs/dbraw/zinc/87/05/36/587870536.db2.gz HWKAEKIPOMBUNI-SNVBAGLBSA-N 1 0 220.316 0.999 20 30 BCEDRO CN(C(=O)C#CC1CC1)[C@@H]1C[NH+]2CCC1CC2 ZINC000837411432 587871144 /nfs/dbraw/zinc/87/11/44/587871144.db2.gz VOKLJZMGEINFRS-CYBMUJFWSA-N 1 0 232.327 0.952 20 30 BCEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)C#CC1CC1 ZINC000837464898 587875047 /nfs/dbraw/zinc/87/50/47/587875047.db2.gz LSZCUUNCDVGJRR-GWCFXTLKSA-N 1 0 232.327 0.999 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)C#CC(C)(C)C ZINC000837491944 587876848 /nfs/dbraw/zinc/87/68/48/587876848.db2.gz IRMJVOAOGZGZCI-ZDUSSCGKSA-N 1 0 240.347 0.465 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1CN(C(C)C)C1 ZINC000837546894 587881158 /nfs/dbraw/zinc/88/11/58/587881158.db2.gz VHLAUEZSOFDZOY-UHFFFAOYSA-N 1 0 225.336 0.313 20 30 BCEDRO C#Cc1ccc(C(=O)NCC2([NH+](C)C)CC2)cn1 ZINC000841453870 587954997 /nfs/dbraw/zinc/95/49/97/587954997.db2.gz YUAQMYUKMHPGJX-UHFFFAOYSA-N 1 0 243.310 0.887 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@@H]1CC1(F)F ZINC000841632847 587962810 /nfs/dbraw/zinc/96/28/10/587962810.db2.gz HNWXWVAICWWKEU-FSPLSTOPSA-N 1 0 216.235 0.955 20 30 BCEDRO CCO[C@@H]1CC(=NNC2=[NH+][C@@H](C)CN2)[C@H]1OC ZINC000841634418 587963242 /nfs/dbraw/zinc/96/32/42/587963242.db2.gz SUOPIHQPPSEKDC-FXBDTBDDSA-N 1 0 240.307 0.104 20 30 BCEDRO C[C@H](O)CN(C)N=C1CC[N@@H+]2CCC[C@@H]12 ZINC000841649340 587966811 /nfs/dbraw/zinc/96/68/11/587966811.db2.gz GIKVFOBXEGKOHQ-ONGXEEELSA-N 1 0 211.309 0.523 20 30 BCEDRO C[C@H](O)CN(C)[NH+]=Cc1cnccc1N(C)C ZINC000841649524 587966921 /nfs/dbraw/zinc/96/69/21/587966921.db2.gz CRAOFGMDWJEFSH-JTQLQIEISA-N 1 0 236.319 0.794 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1cccc2c1OCO2 ZINC000841659401 587969244 /nfs/dbraw/zinc/96/92/44/587969244.db2.gz KEGAFTXWNKAVRY-UHFFFAOYSA-N 1 0 246.270 0.688 20 30 BCEDRO COc1ccsc1C=NNC1=[NH+]CCN1 ZINC000841660282 587969733 /nfs/dbraw/zinc/96/97/33/587969733.db2.gz GOMZVRJXXXIAOT-UHFFFAOYSA-N 1 0 224.289 0.639 20 30 BCEDRO c1ccc2c(c1)COCC2=NNC1=[NH+]CCN1 ZINC000841661520 587970082 /nfs/dbraw/zinc/97/00/82/587970082.db2.gz QGKLCJXRSJUZCI-UHFFFAOYSA-N 1 0 230.271 0.470 20 30 BCEDRO Cc1cccc(C=NNC2=[NH+]CCN2)c1O ZINC000841661691 587970270 /nfs/dbraw/zinc/97/02/70/587970270.db2.gz YXRLKHASLVJQSS-UHFFFAOYSA-N 1 0 218.260 0.583 20 30 BCEDRO COc1cccc2c1CCC2=NNC1=[NH+]CCN1 ZINC000841661513 587970335 /nfs/dbraw/zinc/97/03/35/587970335.db2.gz PYGZZGFVOQQAIG-UHFFFAOYSA-N 1 0 244.298 0.894 20 30 BCEDRO C#CCSCCNC(=O)NCCC[NH3+] ZINC000841830625 587976185 /nfs/dbraw/zinc/97/61/85/587976185.db2.gz JYEKKJWWICIYBC-UHFFFAOYSA-N 1 0 215.322 0.001 20 30 BCEDRO C#CCSCCNC(=O)NCCC[NH2+]C ZINC000841830715 587976258 /nfs/dbraw/zinc/97/62/58/587976258.db2.gz MEMVZKLLSDUADB-UHFFFAOYSA-N 1 0 229.349 0.262 20 30 BCEDRO C#CCSCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000841830277 587976362 /nfs/dbraw/zinc/97/63/62/587976362.db2.gz GNXXMNDVSYWHCV-JTQLQIEISA-N 1 0 241.360 0.404 20 30 BCEDRO C#CCSCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000841830618 587976435 /nfs/dbraw/zinc/97/64/35/587976435.db2.gz JXJYILJGUHLZIB-SECBINFHSA-N 1 0 227.333 0.014 20 30 BCEDRO C#CCSCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000841832312 587976638 /nfs/dbraw/zinc/97/66/38/587976638.db2.gz LWDWHJCQESQCNV-VIFPVBQESA-N 1 0 229.349 0.247 20 30 BCEDRO C#CCSCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000841832502 587976820 /nfs/dbraw/zinc/97/68/20/587976820.db2.gz PAQJDPUIYDHYMB-BDAKNGLRSA-N 1 0 229.349 0.388 20 30 BCEDRO C#CCSCCNC(=O)N[C@H](C)CCC[NH3+] ZINC000841832598 587976943 /nfs/dbraw/zinc/97/69/43/587976943.db2.gz QGNJQXCHLGNXJO-SNVBAGLBSA-N 1 0 243.376 0.779 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CNc1ccccc1 ZINC000841849807 587977749 /nfs/dbraw/zinc/97/77/49/587977749.db2.gz LPMADVFHERPEDP-CMPLNLGQSA-N 1 0 244.298 0.326 20 30 BCEDRO C#CCCCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841860816 587978644 /nfs/dbraw/zinc/97/86/44/587978644.db2.gz PNQJAKWFCQUZKK-LLVKDONJSA-N 1 0 223.320 0.826 20 30 BCEDRO C#CCCCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000841860554 587979005 /nfs/dbraw/zinc/97/90/05/587979005.db2.gz OZJDKUZDCPVZJN-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCCCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000841861137 587979045 /nfs/dbraw/zinc/97/90/45/587979045.db2.gz SZQLEGZJQKSLQI-NSHDSACASA-N 1 0 223.320 0.841 20 30 BCEDRO C#CCOCCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000841876202 587979805 /nfs/dbraw/zinc/97/98/05/587979805.db2.gz UNOVTYIUJNAICW-WDEREUQCSA-N 1 0 239.319 0.028 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841875195 587979857 /nfs/dbraw/zinc/97/98/57/587979857.db2.gz MMTTZAYDFIJUCI-GHMZBOCLSA-N 1 0 239.319 0.205 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])[C@H]1CCCO1 ZINC000841879224 587979916 /nfs/dbraw/zinc/97/99/16/587979916.db2.gz LVGBLWFZRGOLDT-ZRUFSTJUSA-N 1 0 239.319 0.202 20 30 BCEDRO C#CCCCNC(=O)NCC[NH2+]CCC ZINC000841885291 587979984 /nfs/dbraw/zinc/97/99/84/587979984.db2.gz ICJCQUAAMKHJIO-UHFFFAOYSA-N 1 0 211.309 0.699 20 30 BCEDRO C#CCOCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841877196 587980083 /nfs/dbraw/zinc/98/00/83/587980083.db2.gz YNTHAAANXHRZNN-LLVKDONJSA-N 1 0 239.319 0.078 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H](C)C[NH3+])[C@@H]1CCCO1 ZINC000841880466 587980278 /nfs/dbraw/zinc/98/02/78/587980278.db2.gz AGMUFDBJYOZDFU-DCAQKATOSA-N 1 0 239.319 0.061 20 30 BCEDRO C#C[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])[C@H]1CCCO1 ZINC000841880910 587980489 /nfs/dbraw/zinc/98/04/89/587980489.db2.gz KGGUEKINYGWCLB-GARJFASQSA-N 1 0 239.319 0.156 20 30 BCEDRO C#CCCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000841885675 587980607 /nfs/dbraw/zinc/98/06/07/587980607.db2.gz ISPWAWKZQTUCBD-JTQLQIEISA-N 1 0 209.293 0.436 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841885219 587980865 /nfs/dbraw/zinc/98/08/65/587980865.db2.gz HJSPXVQHPHSOIF-QWRGUYRKSA-N 1 0 223.320 0.969 20 30 BCEDRO C#CCCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841885644 587980935 /nfs/dbraw/zinc/98/09/35/587980935.db2.gz ILRXAJUQYFGLHF-JTQLQIEISA-N 1 0 209.293 0.436 20 30 BCEDRO C=CCONC(=O)NCCC1=CC[NH2+]CC1 ZINC000841912872 587984771 /nfs/dbraw/zinc/98/47/71/587984771.db2.gz CCIRSAZXMBTTJS-UHFFFAOYSA-N 1 0 225.292 0.713 20 30 BCEDRO C=CCONC(=O)N[C@@H](C[NH3+])CCCC ZINC000841914025 587984779 /nfs/dbraw/zinc/98/47/79/587984779.db2.gz XQNKCJQJYHVKOM-SECBINFHSA-N 1 0 215.297 0.921 20 30 BCEDRO C=CCONC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000841912998 587984801 /nfs/dbraw/zinc/98/48/01/587984801.db2.gz FQNQTDMETPHFNK-UWVGGRQHSA-N 1 0 227.308 0.921 20 30 BCEDRO C#Cc1cccc(CNC(=O)NCC[NH3+])c1 ZINC000841914013 587984887 /nfs/dbraw/zinc/98/48/87/587984887.db2.gz XLHFTUDCITXWKQ-UHFFFAOYSA-N 1 0 217.272 0.426 20 30 BCEDRO C#Cc1cccc(CNC(=O)N(C)CC[NH3+])c1 ZINC000841913827 587984938 /nfs/dbraw/zinc/98/49/38/587984938.db2.gz VIJKKVOMYLSUPN-UHFFFAOYSA-N 1 0 231.299 0.768 20 30 BCEDRO C#Cc1cccc(CNC(=O)NCCC[NH3+])c1 ZINC000841913612 587985068 /nfs/dbraw/zinc/98/50/68/587985068.db2.gz RKGLNRVVHBJDPW-UHFFFAOYSA-N 1 0 231.299 0.816 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000841926298 587985258 /nfs/dbraw/zinc/98/52/58/587985258.db2.gz FZZYNJHNWOOUNS-GARJFASQSA-N 1 0 223.320 0.695 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000841947712 587986183 /nfs/dbraw/zinc/98/61/83/587986183.db2.gz HCQZLSTXNOHCED-QWRGUYRKSA-N 1 0 223.320 0.826 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000841945452 587986211 /nfs/dbraw/zinc/98/62/11/587986211.db2.gz LSXHNAMVBVXRDF-MRVPVSSYSA-N 1 0 217.700 0.775 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[NH2+]C1)C1CC1 ZINC000841939385 587986352 /nfs/dbraw/zinc/98/63/52/587986352.db2.gz PQAWJROQBAHNGR-SECBINFHSA-N 1 0 207.277 0.156 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000841939627 587986376 /nfs/dbraw/zinc/98/63/76/587986376.db2.gz RGTVTDONBVBMAE-LLVKDONJSA-N 1 0 219.288 0.016 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000841941855 587986457 /nfs/dbraw/zinc/98/64/57/587986457.db2.gz RPJNCBCDVNBYIS-QMMMGPOBSA-N 1 0 217.700 0.790 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H](C[NH3+])CCCC ZINC000841957897 587986671 /nfs/dbraw/zinc/98/66/71/587986671.db2.gz BOSZWWPMBSUOQE-ZJUUUORDSA-N 1 0 211.309 0.825 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841980835 587987566 /nfs/dbraw/zinc/98/75/66/587987566.db2.gz IDCWVWWSRDPNCJ-ZJUUUORDSA-N 1 0 209.293 0.579 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841981038 587987658 /nfs/dbraw/zinc/98/76/58/587987658.db2.gz PCZHEAAEZZWGLN-IVZWLZJFSA-N 1 0 209.293 0.577 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000841976486 587987681 /nfs/dbraw/zinc/98/76/81/587987681.db2.gz MDZQHRVBPHTGEI-GUBZILKMSA-N 1 0 209.293 0.305 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841978731 587987755 /nfs/dbraw/zinc/98/77/55/587987755.db2.gz PJADKSYNNRMHMQ-ZJUUUORDSA-N 1 0 209.293 0.449 20 30 BCEDRO C#CCCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000841987085 587988035 /nfs/dbraw/zinc/98/80/35/587988035.db2.gz XIFVYGPKJJZBQK-UHFFFAOYSA-N 1 0 221.304 0.619 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000842005660 587988441 /nfs/dbraw/zinc/98/84/41/587988441.db2.gz OMUONAZELOBZAU-RNFRBKRXSA-N 1 0 205.689 0.774 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC/C=C/C[NH3+] ZINC000841993954 587988504 /nfs/dbraw/zinc/98/85/04/587988504.db2.gz CBKGTRJTIPEKMC-PORFMDCZSA-N 1 0 209.293 0.602 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC/C=C/C[NH3+] ZINC000841993952 587988612 /nfs/dbraw/zinc/98/86/12/587988612.db2.gz CBKGTRJTIPEKMC-BRAIEQGRSA-N 1 0 209.293 0.602 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000842000228 587988648 /nfs/dbraw/zinc/98/86/48/587988648.db2.gz UPISVNOCZROANU-JIGDXULJSA-N 1 0 215.684 0.256 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000842015918 587988918 /nfs/dbraw/zinc/98/89/18/587988918.db2.gz ROAKKQJBKFXCOI-IJLUTSLNSA-N 1 0 235.331 0.697 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000842011488 587989086 /nfs/dbraw/zinc/98/90/86/587989086.db2.gz PDGXCPQECHDOOI-MRVPVSSYSA-N 1 0 233.699 0.027 20 30 BCEDRO CC(C)Cn1nccc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000842530022 588033561 /nfs/dbraw/zinc/03/35/61/588033561.db2.gz NFEKGAFERPMOHS-JTQLQIEISA-N 1 0 248.334 0.810 20 30 BCEDRO C[C@H](CO)N(C)[NH+]=Cc1cnc(N(C)C)n1C ZINC000842540530 588038167 /nfs/dbraw/zinc/03/81/67/588038167.db2.gz LOJAVUMNIWBGAH-SECBINFHSA-N 1 0 239.323 0.133 20 30 BCEDRO C#CC[C@@H]1CCC[N@H+](Cn2cnnc2)C1 ZINC000842629614 588047147 /nfs/dbraw/zinc/04/71/47/588047147.db2.gz PYLKHKOUOPUCTE-LLVKDONJSA-N 1 0 204.277 0.971 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]CCC(=O)N(C)OC ZINC000843078811 588077213 /nfs/dbraw/zinc/07/72/13/588077213.db2.gz RTLOJRQIRLTOKZ-SNVBAGLBSA-N 1 0 230.308 0.313 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](C#N)CCC#N ZINC000843102076 588081108 /nfs/dbraw/zinc/08/11/08/588081108.db2.gz SUOWYUUDGUNIDZ-NWDGAFQWSA-N 1 0 219.288 0.794 20 30 BCEDRO C#CCCOC(=O)N1CC(C[NH+](C)C)C1 ZINC000867323747 588096084 /nfs/dbraw/zinc/09/60/84/588096084.db2.gz JTNZIRMYKMRNDL-UHFFFAOYSA-N 1 0 210.277 0.640 20 30 BCEDRO CC(C)(C)/C=C\C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843461843 588112391 /nfs/dbraw/zinc/11/23/91/588112391.db2.gz XMFODOBFZDTOLS-BYIQDMNASA-N 1 0 221.304 0.816 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(C2CC2)on1 ZINC000843463246 588113207 /nfs/dbraw/zinc/11/32/07/588113207.db2.gz VYZFMVNUKAPOHG-WPRPVWTQSA-N 1 0 246.270 0.393 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844323206 588184824 /nfs/dbraw/zinc/18/48/24/588184824.db2.gz DWLQUZQOTXRHNE-ONGXEEELSA-N 1 0 222.288 0.923 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@]2(CC2(F)F)C1 ZINC000844433035 588192328 /nfs/dbraw/zinc/19/23/28/588192328.db2.gz CLRGNSKFZVFONN-NSHDSACASA-N 1 0 242.269 0.857 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccns2)N1 ZINC000844590243 588206077 /nfs/dbraw/zinc/20/60/77/588206077.db2.gz NQWKPLFBADSHAU-ZCFIWIBFSA-N 1 0 209.278 0.414 20 30 BCEDRO CCCC(N)=[NH+]OCCCS(C)(=O)=O ZINC000105605872 588215295 /nfs/dbraw/zinc/21/52/95/588215295.db2.gz NGUPZIALEOTXRL-UHFFFAOYSA-N 1 0 222.310 0.510 20 30 BCEDRO C=C[C@@H](C)ONC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000845639467 588239382 /nfs/dbraw/zinc/23/93/82/588239382.db2.gz PXDAKZKPLFYYCT-ZJUUUORDSA-N 1 0 227.308 0.886 20 30 BCEDRO C#CCO[C@@H](C)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845821974 588246508 /nfs/dbraw/zinc/24/65/08/588246508.db2.gz UQPSQWGNPGFAEJ-WOPDTQHZSA-N 1 0 239.315 0.908 20 30 BCEDRO CCON(C)C(=O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000846066087 588255399 /nfs/dbraw/zinc/25/53/99/588255399.db2.gz ZMAYUDYTINLSSU-VHSXEESVSA-N 1 0 225.292 0.678 20 30 BCEDRO C#CCCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000846158895 588258928 /nfs/dbraw/zinc/25/89/28/588258928.db2.gz GNUMFYIKWSUIGH-UHFFFAOYSA-N 1 0 223.320 0.828 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCCC1(C[NH3+])CC1 ZINC000846183313 588259499 /nfs/dbraw/zinc/25/94/99/588259499.db2.gz HGSKQKPTMDUCAQ-SECBINFHSA-N 1 0 209.293 0.436 20 30 BCEDRO C=C(Cl)CNC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000846670308 588281661 /nfs/dbraw/zinc/28/16/61/588281661.db2.gz BUEUERKRPZHEPP-WPRPVWTQSA-N 1 0 230.695 0.091 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCc1ccco1 ZINC000846678427 588282237 /nfs/dbraw/zinc/28/22/37/588282237.db2.gz UCRUMEMMKUJKSI-GXSJLCMTSA-N 1 0 233.271 0.440 20 30 BCEDRO C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)n1ccnc1 ZINC000846677488 588282379 /nfs/dbraw/zinc/28/23/79/588282379.db2.gz NEEXNCGNTHROET-GMTAPVOTSA-N 1 0 247.302 0.062 20 30 BCEDRO C#C[C@H](NC[C@H](O)C[N@@H+](C)CC)[C@H]1CCCO1 ZINC000846856865 588293765 /nfs/dbraw/zinc/29/37/65/588293765.db2.gz DMSOPPVGUWSSJJ-RWMBFGLXSA-N 1 0 240.347 0.069 20 30 BCEDRO C#C[C@@H]([NH2+]CCCC(=O)N(C)C)[C@H]1CCCO1 ZINC000846861861 588294013 /nfs/dbraw/zinc/29/40/13/588294013.db2.gz SHCKYQGJYDSILQ-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO CC[C@H](CC#N)NCC(=O)NCc1ccccn1 ZINC000846990179 588300561 /nfs/dbraw/zinc/30/05/61/588300561.db2.gz BGMABAJHSNOLDT-LLVKDONJSA-N 1 0 246.314 0.980 20 30 BCEDRO CC[C@@H](CC#N)NC[C@H](O)C[NH+]1CCCC1 ZINC000846996312 588300856 /nfs/dbraw/zinc/30/08/56/588300856.db2.gz WGQAYNNVMDLJLX-RYUDHWBXSA-N 1 0 225.336 0.725 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000847018485 588302011 /nfs/dbraw/zinc/30/20/11/588302011.db2.gz KJPCTZRLYOYYGT-NSHDSACASA-N 1 0 244.360 0.223 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCC(=O)N(C)OC)C1 ZINC000847019160 588302020 /nfs/dbraw/zinc/30/20/20/588302020.db2.gz PCBJRQWXSSJLNH-NSHDSACASA-N 1 0 224.304 0.742 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCCNC(C)=O)C1 ZINC000847022050 588302708 /nfs/dbraw/zinc/30/27/08/588302708.db2.gz RUSUYSKJOGYPGD-GFCCVEGCSA-N 1 0 208.305 0.858 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000847022457 588303155 /nfs/dbraw/zinc/30/31/55/588303155.db2.gz UMTVWYCXRSLEJC-VXGBXAGGSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000847024803 588303822 /nfs/dbraw/zinc/30/38/22/588303822.db2.gz LKEFNPZMALEVGC-JTQLQIEISA-N 1 0 230.333 0.010 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000847029164 588304160 /nfs/dbraw/zinc/30/41/60/588304160.db2.gz LLUMHBBLMCVTHH-MNOVXSKESA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)NCCCOC)C1 ZINC000847028715 588304259 /nfs/dbraw/zinc/30/42/59/588304259.db2.gz KHUQSOBRXUQESH-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCC(=O)NC(=O)NC)C1 ZINC000847032534 588304419 /nfs/dbraw/zinc/30/44/19/588304419.db2.gz UMTZQTALBVEVKW-JTQLQIEISA-N 1 0 237.303 0.177 20 30 BCEDRO CC#CC(=O)N[C@@H](CO)CC[NH+](CC)CC ZINC000848024906 588348284 /nfs/dbraw/zinc/34/82/84/588348284.db2.gz LHWALODIWRQOPN-LLVKDONJSA-N 1 0 226.320 0.219 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCCOCOC ZINC000848166915 588363350 /nfs/dbraw/zinc/36/33/50/588363350.db2.gz IEKUTJWUINGDLH-UHFFFAOYSA-N 1 0 230.308 0.231 20 30 BCEDRO CON=CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848295939 588371348 /nfs/dbraw/zinc/37/13/48/588371348.db2.gz WKPXOPPGSIUIMK-DTORHVGOSA-N 1 0 213.281 0.075 20 30 BCEDRO C#CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848350915 588372850 /nfs/dbraw/zinc/37/28/50/588372850.db2.gz VOFOGAFEBNHLQZ-WDEREUQCSA-N 1 0 206.289 0.753 20 30 BCEDRO C=C(CO)C(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848351673 588372922 /nfs/dbraw/zinc/37/29/22/588372922.db2.gz FUOFTZMYCGVMBY-RYUDHWBXSA-N 1 0 238.331 0.668 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1cc2n(n1)CCCC2 ZINC000848412190 588380525 /nfs/dbraw/zinc/38/05/25/588380525.db2.gz KSZWAGVDRJOYIB-UHFFFAOYSA-N 1 0 232.291 0.102 20 30 BCEDRO C1CNC(N=NC2CCC[N@@H+]3CCCC[C@H]23)=N1 ZINC000848411661 588380590 /nfs/dbraw/zinc/38/05/90/588380590.db2.gz BENGPGMHEXDHNN-LLVKDONJSA-N 1 0 235.335 0.540 20 30 BCEDRO C#C[C@@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000848910545 588419132 /nfs/dbraw/zinc/41/91/32/588419132.db2.gz MBWAVZXJTJTXMO-YPMHNXCESA-N 1 0 222.332 0.851 20 30 BCEDRO C[NH+]=C(NCCCOC)NCc1ccco1 ZINC000848980499 588422367 /nfs/dbraw/zinc/42/23/67/588422367.db2.gz UZLPVXKKUOPHHT-UHFFFAOYSA-N 1 0 225.292 0.981 20 30 BCEDRO C=CCNC(=[NH2+])NCCC(=O)OC(C)C ZINC000848983180 588424402 /nfs/dbraw/zinc/42/44/02/588424402.db2.gz STHANKPWGRZADO-UHFFFAOYSA-N 1 0 213.281 0.628 20 30 BCEDRO CN1CC[NH+]=C1NCCCOC[C@H]1CCCO1 ZINC000848982970 588424486 /nfs/dbraw/zinc/42/44/86/588424486.db2.gz PDSDIMPGFKAJSS-LLVKDONJSA-N 1 0 241.335 0.463 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2nnc3ccccn32)N1 ZINC000848982807 588424711 /nfs/dbraw/zinc/42/47/11/588424711.db2.gz UHGDEBCUFRTSPP-VIFPVBQESA-N 1 0 244.302 0.209 20 30 BCEDRO C=CCNC(=[NH2+])NCCOCC(F)(F)F ZINC000848984500 588424843 /nfs/dbraw/zinc/42/48/43/588424843.db2.gz RKJNPCAQWBMLHP-UHFFFAOYSA-N 1 0 225.214 0.865 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCNc2ncccc2C#N)N1 ZINC000848989536 588426565 /nfs/dbraw/zinc/42/65/65/588426565.db2.gz JFSXNNLYVFXXGK-VIFPVBQESA-N 1 0 244.302 0.302 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCNc1cnccn1 ZINC000848989707 588426650 /nfs/dbraw/zinc/42/66/50/588426650.db2.gz UTFASYVJECJLOO-UHFFFAOYSA-N 1 0 234.307 0.579 20 30 BCEDRO C[NH+]=C(NC[C@H](O)c1ccco1)NC1CC1 ZINC000848989717 588426813 /nfs/dbraw/zinc/42/68/13/588426813.db2.gz VIAMBHOIXMFWCO-VIFPVBQESA-N 1 0 223.276 0.640 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](C)S(C)(=O)=O ZINC000848991154 588426959 /nfs/dbraw/zinc/42/69/59/588426959.db2.gz HWWQOAZSNFZCSA-QMMMGPOBSA-N 1 0 233.337 0.110 20 30 BCEDRO C[NH+]=C(NC[C@H](O)COCC(C)C)NC1CC1 ZINC000848990560 588427051 /nfs/dbraw/zinc/42/70/51/588427051.db2.gz FUKRSEUIIMOAGA-NSHDSACASA-N 1 0 243.351 0.347 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](O)COCC(C)C ZINC000848990742 588427156 /nfs/dbraw/zinc/42/71/56/588427156.db2.gz MAGXRGXSGXZQMY-SNVBAGLBSA-N 1 0 229.324 0.320 20 30 BCEDRO CCNC(=[NH2+])NCCNc1ccc(C#N)cn1 ZINC000848991519 588427543 /nfs/dbraw/zinc/42/75/43/588427543.db2.gz LAZJTHHDMOFQJN-UHFFFAOYSA-N 1 0 232.291 0.499 20 30 BCEDRO C=CCNC(=[NH2+])NCCC(=O)NCCC ZINC000848996364 588429281 /nfs/dbraw/zinc/42/92/81/588429281.db2.gz WSKGLTZBIXOIBB-UHFFFAOYSA-N 1 0 212.297 0.203 20 30 BCEDRO CN1CC[NH+]=C1NCCCNc1ncccn1 ZINC000849000071 588430245 /nfs/dbraw/zinc/43/02/45/588430245.db2.gz CVMRFHCRILBPES-UHFFFAOYSA-N 1 0 234.307 0.170 20 30 BCEDRO C[NH+]=C(NCCN1CCO[C@@H](C)C1)NC1CC1 ZINC000848999604 588430500 /nfs/dbraw/zinc/43/05/00/588430500.db2.gz VEOYSCMLCHBLEJ-JTQLQIEISA-N 1 0 240.351 0.035 20 30 BCEDRO C[NH+]=C(NC[C@@H](C)C(=O)OC)NC1CC1 ZINC000849001539 588430677 /nfs/dbraw/zinc/43/06/77/588430677.db2.gz WXAOCGZMQUBRCA-SSDOTTSWSA-N 1 0 213.281 0.123 20 30 BCEDRO C[NH+]=C(NCCC1(O)CCC1)NC1CC1 ZINC000849002836 588431136 /nfs/dbraw/zinc/43/11/36/588431136.db2.gz VAUKQRYYAHWGOI-UHFFFAOYSA-N 1 0 211.309 0.619 20 30 BCEDRO C[NH+]=C(NC[C@](C)(O)C(F)(F)F)NC1CC1 ZINC000849001769 588431425 /nfs/dbraw/zinc/43/14/25/588431425.db2.gz XVCGWECZZIDDEQ-QMMMGPOBSA-N 1 0 239.241 0.627 20 30 BCEDRO Cc1ccc(CCNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000849005884 588432440 /nfs/dbraw/zinc/43/24/40/588432440.db2.gz ZUFFESHDYHVKCN-SNVBAGLBSA-N 1 0 218.304 0.870 20 30 BCEDRO CN(C)C(=[NH+]CCOC[C@@H]1CCOC1)N(C)C ZINC000849006811 588432968 /nfs/dbraw/zinc/43/29/68/588432968.db2.gz WDSAHAVYQXMFQN-LLVKDONJSA-N 1 0 243.351 0.519 20 30 BCEDRO C=CCNC(=[NH2+])NCCS(=O)(=O)CC1CC1 ZINC000849013811 588436293 /nfs/dbraw/zinc/43/62/93/588436293.db2.gz JMNJBEKIEUYAJZ-UHFFFAOYSA-N 1 0 245.348 0.111 20 30 BCEDRO C=CC[C@@H](CO)CNC(NCC)=[NH+]CC ZINC000849015644 588436570 /nfs/dbraw/zinc/43/65/70/588436570.db2.gz HWCWEVUTRYHZFI-SNVBAGLBSA-N 1 0 213.325 0.746 20 30 BCEDRO CN(C)C(=[NH+]CCc1cnccn1)N(C)C ZINC000849015639 588436655 /nfs/dbraw/zinc/43/66/55/588436655.db2.gz GUGLXPUUNHADQW-UHFFFAOYSA-N 1 0 221.308 0.498 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849016242 588436960 /nfs/dbraw/zinc/43/69/60/588436960.db2.gz WQOVFQLWYSUTAW-QWRGUYRKSA-N 1 0 241.335 0.416 20 30 BCEDRO COC[C@@H](C[NH+]=C(N(C)C)N(C)C)OC ZINC000849017131 588437501 /nfs/dbraw/zinc/43/75/01/588437501.db2.gz FXUNJPREUIWDPT-SECBINFHSA-N 1 0 217.313 0.127 20 30 BCEDRO C=CCS(=O)(=O)CCNC(NCC)=[NH+]CC ZINC000849017639 588437679 /nfs/dbraw/zinc/43/76/79/588437679.db2.gz ZVVRFSVNXDBGQL-UHFFFAOYSA-N 1 0 247.364 0.162 20 30 BCEDRO CNC(NCC[C@@H]1CCO[C@@H](C)C1)=[NH+]C ZINC000849018226 588437723 /nfs/dbraw/zinc/43/77/23/588437723.db2.gz XOOYRQIMQDPGGK-VHSXEESVSA-N 1 0 213.325 0.986 20 30 BCEDRO C#CCOCCNC(=[NH2+])N1CCCCC1 ZINC000849017995 588437772 /nfs/dbraw/zinc/43/77/72/588437772.db2.gz QKWZDSYCZSGWES-UHFFFAOYSA-N 1 0 209.293 0.646 20 30 BCEDRO CC(C)OC(=O)CCCNC1=[NH+]C[C@@H](C)N1 ZINC000849019672 588438307 /nfs/dbraw/zinc/43/83/07/588438307.db2.gz WVOQGBVJDKABSK-SECBINFHSA-N 1 0 227.308 0.656 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCCCS(C)(=O)=O)N1 ZINC000849020088 588438546 /nfs/dbraw/zinc/43/85/46/588438546.db2.gz HDKCLQZDSOQLBN-SECBINFHSA-N 1 0 247.364 0.139 20 30 BCEDRO CCCNC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000849020868 588439037 /nfs/dbraw/zinc/43/90/37/588439037.db2.gz QPKHZDDHRMTVPH-UHFFFAOYSA-N 1 0 217.276 0.977 20 30 BCEDRO CCC(O)(CC)CCNC(NC)=[NH+]C ZINC000849021194 588439082 /nfs/dbraw/zinc/43/90/82/588439082.db2.gz ALMOTNKCKWIWSD-UHFFFAOYSA-N 1 0 201.314 0.722 20 30 BCEDRO N#Cc1ncn(CCNC(=[NH2+])N2CCCCC2)n1 ZINC000849027248 588441107 /nfs/dbraw/zinc/44/11/07/588441107.db2.gz JSTNBSLLYXZHEX-UHFFFAOYSA-N 1 0 247.306 0.160 20 30 BCEDRO CCNC(NCCc1nccnc1C)=[NH+]CC ZINC000849033691 588443743 /nfs/dbraw/zinc/44/37/43/588443743.db2.gz VXCNZKWADXVNKT-UHFFFAOYSA-N 1 0 235.335 0.903 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC[C@](C)(O)COC ZINC000849034065 588444168 /nfs/dbraw/zinc/44/41/68/588444168.db2.gz JYQBSCJXRUIHTJ-NSHDSACASA-N 1 0 229.324 0.464 20 30 BCEDRO C=CCNC(=[NH2+])NCC[C@@](C)(O)COC ZINC000849034454 588444349 /nfs/dbraw/zinc/44/43/49/588444349.db2.gz VXYXJZXPXNVCKR-SNVBAGLBSA-N 1 0 215.297 0.074 20 30 BCEDRO CNC(NC[C@H](CO)c1ccc(F)cc1)=[NH+]C ZINC000849043152 588448885 /nfs/dbraw/zinc/44/88/85/588448885.db2.gz PKQVSWHMPFQSLU-SNVBAGLBSA-N 1 0 239.294 0.696 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])N2CCCCC2)nn1 ZINC000849044485 588449009 /nfs/dbraw/zinc/44/90/09/588449009.db2.gz RJCWSQZGYBOSGO-UHFFFAOYSA-N 1 0 248.334 0.974 20 30 BCEDRO CNC(NC[C@H]1CC[C@H](C(N)=O)CC1)=[NH+]C ZINC000849044124 588449024 /nfs/dbraw/zinc/44/90/24/588449024.db2.gz VKOYVAZGHVXQOR-KYZUINATSA-N 1 0 226.324 0.073 20 30 BCEDRO CCCN1C[C@H](CNC(NC)=[NH+]C)CC1=O ZINC000849044057 588449071 /nfs/dbraw/zinc/44/90/71/588449071.db2.gz RPDBDADFCQAEGQ-VIFPVBQESA-N 1 0 226.324 0.040 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000849044314 588449336 /nfs/dbraw/zinc/44/93/36/588449336.db2.gz HCDMDYYKXZSFJS-DCAQKATOSA-N 1 0 241.335 0.726 20 30 BCEDRO CCNC(NCCCc1ncn(C)n1)=[NH+]CC ZINC000849046098 588449869 /nfs/dbraw/zinc/44/98/69/588449869.db2.gz VSICZLYQOSIAPM-UHFFFAOYSA-N 1 0 238.339 0.323 20 30 BCEDRO CNC(NC[C@@]1(CO)CCc2ccccc21)=[NH+]C ZINC000849046492 588450202 /nfs/dbraw/zinc/45/02/02/588450202.db2.gz HJBJZFOHSMRAAF-CQSZACIVSA-N 1 0 247.342 0.658 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](CC)C(=O)OC ZINC000849046918 588450211 /nfs/dbraw/zinc/45/02/11/588450211.db2.gz YZCDWNSPEDTVJL-SECBINFHSA-N 1 0 227.308 0.876 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](CC)C(=O)OC ZINC000849046957 588450212 /nfs/dbraw/zinc/45/02/12/588450212.db2.gz ZKZPXOIKKINZLT-QMMMGPOBSA-N 1 0 213.281 0.486 20 30 BCEDRO CCNC(NC[C@H](CC)C(=O)OC)=[NH+]CC ZINC000849046938 588450318 /nfs/dbraw/zinc/45/03/18/588450318.db2.gz ZDGWNUVIYJRDQG-VIFPVBQESA-N 1 0 229.324 0.761 20 30 BCEDRO CCNC(NC[C@H]1CC(=O)N(CC)C1)=[NH+]CC ZINC000849047880 588450528 /nfs/dbraw/zinc/45/05/28/588450528.db2.gz YORCLZKAPFGJRB-SNVBAGLBSA-N 1 0 240.351 0.430 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CC(=O)N(CC)C1 ZINC000849047787 588450664 /nfs/dbraw/zinc/45/06/64/588450664.db2.gz VUMYHWFIVXCODF-JTQLQIEISA-N 1 0 238.335 0.545 20 30 BCEDRO CCNC(NC[C@@H]1CC(=O)N(CC)C1)=[NH+]CC ZINC000849047879 588450677 /nfs/dbraw/zinc/45/06/77/588450677.db2.gz YORCLZKAPFGJRB-JTQLQIEISA-N 1 0 240.351 0.430 20 30 BCEDRO CCNC(NCC[C@@]1(O)CCCOC1)=[NH+]CC ZINC000849049229 588451528 /nfs/dbraw/zinc/45/15/28/588451528.db2.gz OWPNAFSRCDUPQK-LBPRGKRZSA-N 1 0 243.351 0.493 20 30 BCEDRO C=C[C@](C)(O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000849155350 588456637 /nfs/dbraw/zinc/45/66/37/588456637.db2.gz AQYFYAGUENLKDT-KOLCDFICSA-N 1 0 222.292 0.596 20 30 BCEDRO CCOC(=O)C1(CNC(NC)=[NH+]C)CC1 ZINC000849214754 588461308 /nfs/dbraw/zinc/46/13/08/588461308.db2.gz MJZYPQLXDCSOAZ-UHFFFAOYSA-N 1 0 213.281 0.125 20 30 BCEDRO CCNC(NC[C@@H](O)C1CCOCC1)=[NH+]CC ZINC000849214521 588461787 /nfs/dbraw/zinc/46/17/87/588461787.db2.gz JULFZWWSDOGIHQ-LLVKDONJSA-N 1 0 243.351 0.349 20 30 BCEDRO CNC(NCc1nccc(OC)c1F)=[NH+]C ZINC000849215170 588462082 /nfs/dbraw/zinc/46/20/82/588462082.db2.gz SEPRXQKWXBMASR-UHFFFAOYSA-N 1 0 226.255 0.524 20 30 BCEDRO C=CCCNC(=S)NCCC[NH+](C)C ZINC000849278137 588469026 /nfs/dbraw/zinc/46/90/26/588469026.db2.gz RJDRQWNCNRVNCR-UHFFFAOYSA-N 1 0 215.366 0.978 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC1CC(OC)C1 ZINC000849327736 588473086 /nfs/dbraw/zinc/47/30/86/588473086.db2.gz QXXPQRMLTYBBCS-UHFFFAOYSA-N 1 0 238.331 0.531 20 30 BCEDRO C=CCCn1cc(CN[C@H]2CC[N@@H+](C)C2)nn1 ZINC000850119686 588520986 /nfs/dbraw/zinc/52/09/86/588520986.db2.gz QJGBAMCAXAJWDZ-NSHDSACASA-N 1 0 235.335 0.648 20 30 BCEDRO C#CCNC(=O)CN(C)Cc1cccs1 ZINC000007289703 588524934 /nfs/dbraw/zinc/52/49/34/588524934.db2.gz OMBUGRVENHXSEY-UHFFFAOYSA-N 1 0 222.313 0.929 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)Cn1cncn1 ZINC000850443998 588547225 /nfs/dbraw/zinc/54/72/25/588547225.db2.gz PIFVWUDQRLOPMM-SNVBAGLBSA-N 1 0 224.333 0.623 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](C)Cn1cncn1 ZINC000850472203 588549081 /nfs/dbraw/zinc/54/90/81/588549081.db2.gz WOJHMPWBPSZCGG-GFCCVEGCSA-N 1 0 235.335 0.211 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](C)Cn1cncn1 ZINC000850472204 588549213 /nfs/dbraw/zinc/54/92/13/588549213.db2.gz WOJHMPWBPSZCGG-LBPRGKRZSA-N 1 0 235.335 0.211 20 30 BCEDRO CCn1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000850757613 588565992 /nfs/dbraw/zinc/56/59/92/588565992.db2.gz NCUBMWBQTDEMTC-RKDXNWHRSA-N 1 0 248.290 0.136 20 30 BCEDRO N#Cc1ccc(CCNC(=O)[C@H]2C[C@H]2[NH3+])cc1 ZINC000851640566 588612447 /nfs/dbraw/zinc/61/24/47/588612447.db2.gz YCVHGWOGOAGFQB-NWDGAFQWSA-N 1 0 229.283 0.564 20 30 BCEDRO N#CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000851659882 588613385 /nfs/dbraw/zinc/61/33/85/588613385.db2.gz WYIULKSGXVWYEB-UHFFFAOYSA-N 1 0 208.265 0.033 20 30 BCEDRO C=CCONC(=O)NCC1([NH3+])CCCC1 ZINC000851660930 588613626 /nfs/dbraw/zinc/61/36/26/588613626.db2.gz BSIDZKLBWWVNCQ-UHFFFAOYSA-N 1 0 213.281 0.675 20 30 BCEDRO C=CCCNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000851668293 588614135 /nfs/dbraw/zinc/61/41/35/588614135.db2.gz FJJBXTJSEMCHFL-JTQLQIEISA-N 1 0 211.309 0.943 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@H](C)C[NH2+]C ZINC000851679255 588614517 /nfs/dbraw/zinc/61/45/17/588614517.db2.gz BOSYYPWFLRCWCJ-NXEZZACHSA-N 1 0 211.309 0.695 20 30 BCEDRO C#CCOCC[NH+]1CCC2(CC1)OCCO2 ZINC000851727573 588618699 /nfs/dbraw/zinc/61/86/99/588618699.db2.gz QZOIMUXGXRLNCI-UHFFFAOYSA-N 1 0 225.288 0.475 20 30 BCEDRO C#CCOCC[N@@H+](CC)C[C@H]1CCOC1 ZINC000851731104 588619592 /nfs/dbraw/zinc/61/95/92/588619592.db2.gz WWAIEZMPUHYZEC-GFCCVEGCSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](OC)[C@H]1CCOC1 ZINC000851798863 588630266 /nfs/dbraw/zinc/63/02/66/588630266.db2.gz ISQIVSAMOSLMTP-NWDGAFQWSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CCOCC[NH2+][C@@](C)(CC)CC(=O)OC ZINC000851854632 588635448 /nfs/dbraw/zinc/63/54/48/588635448.db2.gz WDLHBGRIDYZWNH-LBPRGKRZSA-N 1 0 227.304 0.958 20 30 BCEDRO C#CCOCC[NH+]1CCC(OC(C)=O)CC1 ZINC000851864803 588636414 /nfs/dbraw/zinc/63/64/14/588636414.db2.gz KNOADBMCNQJLHR-UHFFFAOYSA-N 1 0 225.288 0.664 20 30 BCEDRO C#CCOCC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000851868196 588636938 /nfs/dbraw/zinc/63/69/38/588636938.db2.gz KJOOBDCTTCAOPF-NEPJUHHUSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCCN1CC[N@@H+](C)CC1(C)C ZINC000851887328 588640401 /nfs/dbraw/zinc/64/04/01/588640401.db2.gz VGICMFCIDDQROY-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCCS(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000851895198 588641681 /nfs/dbraw/zinc/64/16/81/588641681.db2.gz CAMPWMCCGICGEG-NSHDSACASA-N 1 0 244.360 0.269 20 30 BCEDRO C#CCOCC[NH2+]C1(CC(=O)OC)CCC1 ZINC000851908011 588642413 /nfs/dbraw/zinc/64/24/13/588642413.db2.gz JKECNAQMGYUBAT-UHFFFAOYSA-N 1 0 225.288 0.712 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000851910068 588642986 /nfs/dbraw/zinc/64/29/86/588642986.db2.gz JABCKHPVXNKZGH-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C#CCOCC[NH2+][C@@H](CC(=O)OC)C1CC1 ZINC000851926794 588644567 /nfs/dbraw/zinc/64/45/67/588644567.db2.gz BHNJQRHLWATBQG-NSHDSACASA-N 1 0 225.288 0.568 20 30 BCEDRO C#CCOCC[NH2+][C@@H](C)[C@H](C)C(=O)OCC ZINC000851932012 588645281 /nfs/dbraw/zinc/64/52/81/588645281.db2.gz ASEZJDNBQBQDSZ-QWRGUYRKSA-N 1 0 227.304 0.814 20 30 BCEDRO C#CCOCC[NH2+]C(C)(C)c1cnn(C)c1 ZINC000851933694 588645362 /nfs/dbraw/zinc/64/53/62/588645362.db2.gz UBEBUHYNNGRWGV-UHFFFAOYSA-N 1 0 221.304 0.895 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000851934135 588645454 /nfs/dbraw/zinc/64/54/54/588645454.db2.gz ZFZHSYNOAQUAIT-QWRGUYRKSA-N 1 0 224.304 0.270 20 30 BCEDRO C#CCN(C[C@@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000851938170 588646310 /nfs/dbraw/zinc/64/63/10/588646310.db2.gz LASULUDEBXGINV-ZDUSSCGKSA-N 1 0 224.348 0.785 20 30 BCEDRO C#CCOCCN1CCO[C@@H](COC(C)C)C1 ZINC000851946736 588646690 /nfs/dbraw/zinc/64/66/90/588646690.db2.gz LLVBMKBZKDMBLR-CYBMUJFWSA-N 1 0 241.331 0.762 20 30 BCEDRO C#CCOCCN1CC[C@H](C)C[C@@H]1C(=O)OC ZINC000851950140 588647014 /nfs/dbraw/zinc/64/70/14/588647014.db2.gz MJYKICIKYFHVHL-NWDGAFQWSA-N 1 0 239.315 0.910 20 30 BCEDRO C#C[C@@H]([NH2+]CCOC(F)F)[C@@H]1CCCO1 ZINC000851949159 588647168 /nfs/dbraw/zinc/64/71/68/588647168.db2.gz BBWYLUZVZPSYJJ-BDAKNGLRSA-N 1 0 219.231 0.996 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCN(CC)C1=O)[C@H]1CCCO1 ZINC000851951108 588647206 /nfs/dbraw/zinc/64/72/06/588647206.db2.gz UXAVYUREUMPHNJ-QJPTWQEYSA-N 1 0 236.315 0.378 20 30 BCEDRO C#CCOCC[N@H+]1CC=C(COC)CC1 ZINC000851949149 588647234 /nfs/dbraw/zinc/64/72/34/588647234.db2.gz AXYCQNXRAUDTIP-UHFFFAOYSA-N 1 0 209.289 0.915 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000851974966 588650307 /nfs/dbraw/zinc/65/03/07/588650307.db2.gz MRRMAPWBVJABPD-SDDRHHMPSA-N 1 0 236.315 0.222 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)CCN1C(=O)CN(C)C1=O ZINC000851986581 588651941 /nfs/dbraw/zinc/65/19/41/588651941.db2.gz LPACGUSSMBKKPM-UHFFFAOYSA-N 1 0 237.303 0.224 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000851999134 588654085 /nfs/dbraw/zinc/65/40/85/588654085.db2.gz YODOHBKYXPPWRZ-CHWSQXEVSA-N 1 0 239.315 0.516 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000852007151 588654875 /nfs/dbraw/zinc/65/48/75/588654875.db2.gz YLKTZLPBBJSENY-LBPRGKRZSA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000852076302 588658968 /nfs/dbraw/zinc/65/89/68/588658968.db2.gz QKPIEHYRBGXDER-VXGBXAGGSA-N 1 0 208.305 0.272 20 30 BCEDRO C#CCOCC[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000852072016 588659401 /nfs/dbraw/zinc/65/94/01/588659401.db2.gz XDNBHYQKMCEKPK-SNVBAGLBSA-N 1 0 233.258 0.586 20 30 BCEDRO C#CCOCC[N@H+]1CCN(C)C[C@@H]1C(C)C ZINC000852089425 588660982 /nfs/dbraw/zinc/66/09/82/588660982.db2.gz NQDPKIFATKINAM-CYBMUJFWSA-N 1 0 224.348 0.908 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCNS(=O)(=O)CC ZINC000852098966 588662222 /nfs/dbraw/zinc/66/22/22/588662222.db2.gz AFPUFOKKTHRENL-JTQLQIEISA-N 1 0 232.349 0.317 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@H]1CCCN(C)C1=O ZINC000852101814 588662990 /nfs/dbraw/zinc/66/29/90/588662990.db2.gz UKCAELBZNJXSSM-JQWIXIFHSA-N 1 0 208.305 0.999 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCCNS(=O)(=O)CC ZINC000852100896 588663168 /nfs/dbraw/zinc/66/31/68/588663168.db2.gz LCHUOFAIFMOEEK-NSHDSACASA-N 1 0 246.376 0.707 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](CO)[C@H]1CC ZINC000852113165 588664650 /nfs/dbraw/zinc/66/46/50/588664650.db2.gz VNXCSIJDPUYNGI-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCN1CCC(CO)([NH2+]CC(C)C)CC1 ZINC000852123723 588665333 /nfs/dbraw/zinc/66/53/33/588665333.db2.gz YHJRIBCSKGJPJO-UHFFFAOYSA-N 1 0 224.348 0.692 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000852134260 588665975 /nfs/dbraw/zinc/66/59/75/588665975.db2.gz CFPYLQVDPCDYAV-NWDGAFQWSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1COC[C@H]1OCC ZINC000852146176 588667304 /nfs/dbraw/zinc/66/73/04/588667304.db2.gz HRWYESNKCUILEJ-GHMZBOCLSA-N 1 0 213.277 0.030 20 30 BCEDRO C#CCOCC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000852162477 588668397 /nfs/dbraw/zinc/66/83/97/588668397.db2.gz KNSNJOPLTSFIGC-NEPJUHHUSA-N 1 0 209.289 0.747 20 30 BCEDRO C#CCOCC[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000852172192 588669375 /nfs/dbraw/zinc/66/93/75/588669375.db2.gz GKIBPBABZNVANZ-VXGBXAGGSA-N 1 0 227.304 0.013 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](CO)[C@H]1C ZINC000852176343 588669403 /nfs/dbraw/zinc/66/94/03/588669403.db2.gz ANPVVHMOTQPIQP-NEPJUHHUSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@](C)(C(=O)OC)C1 ZINC000852178340 588669501 /nfs/dbraw/zinc/66/95/01/588669501.db2.gz TXQKVHKOKKXPSY-ZDUSSCGKSA-N 1 0 239.315 0.911 20 30 BCEDRO C#CCOCCN1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000852181191 588670109 /nfs/dbraw/zinc/67/01/09/588670109.db2.gz DFELVZOYQDJYDC-STQMWFEESA-N 1 0 240.347 0.023 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000852186254 588670343 /nfs/dbraw/zinc/67/03/43/588670343.db2.gz YQTQJZXHIRCCBM-NWDGAFQWSA-N 1 0 211.305 0.587 20 30 BCEDRO CO[C@@H]1CC[C@@H]([N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000852205585 588670861 /nfs/dbraw/zinc/67/08/61/588670861.db2.gz PBVKDUDBWWLUIU-UTUOFQBUSA-N 1 0 224.304 0.904 20 30 BCEDRO CO[C@@H]1CC[C@H]([N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000852205583 588671231 /nfs/dbraw/zinc/67/12/31/588671231.db2.gz PBVKDUDBWWLUIU-QJPTWQEYSA-N 1 0 224.304 0.904 20 30 BCEDRO C#CC1CC[NH+]([C@@H]2CCN(CC)C2=O)CC1 ZINC000852207531 588672342 /nfs/dbraw/zinc/67/23/42/588672342.db2.gz JKLDAGOMKDVUSJ-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852219350 588673733 /nfs/dbraw/zinc/67/37/33/588673733.db2.gz SIBLJDPTTOIMHB-QWRGUYRKSA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852219040 588673853 /nfs/dbraw/zinc/67/38/53/588673853.db2.gz PJVAXLQJIWFBJU-SRVKXCTJSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000852261865 588674909 /nfs/dbraw/zinc/67/49/09/588674909.db2.gz FHVWLDUEXNAMAP-VIFPVBQESA-N 1 0 209.293 0.211 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000852319467 588678001 /nfs/dbraw/zinc/67/80/01/588678001.db2.gz NJJUQRDUGYQIBV-NXEZZACHSA-N 1 0 235.287 0.417 20 30 BCEDRO C#CCNC(=O)CC[N@H+](CC=C)[C@@H](C)COC ZINC000852357246 588680111 /nfs/dbraw/zinc/68/01/11/588680111.db2.gz YVWKVGGBUVSGSK-LBPRGKRZSA-N 1 0 238.331 0.649 20 30 BCEDRO C#CCCC[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC000852414154 588681804 /nfs/dbraw/zinc/68/18/04/588681804.db2.gz JGNKAJHHWGBDJX-VHSXEESVSA-N 1 0 211.261 0.320 20 30 BCEDRO C[C@H](C#N)N(C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000852480958 588684079 /nfs/dbraw/zinc/68/40/79/588684079.db2.gz XWIYUKJVGNRKFF-YPMHNXCESA-N 1 0 237.347 0.820 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000852533443 588688136 /nfs/dbraw/zinc/68/81/36/588688136.db2.gz ZARCXEDYMHEJSU-LOWVWBTDSA-N 1 0 236.315 0.093 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000852583271 588692115 /nfs/dbraw/zinc/69/21/15/588692115.db2.gz UVVONSMYLVBQCF-GMTAPVOTSA-N 1 0 224.304 0.808 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000852652926 588694032 /nfs/dbraw/zinc/69/40/32/588694032.db2.gz HTWPHYHHOSLKAI-LLVKDONJSA-N 1 0 223.320 0.697 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000852654294 588694146 /nfs/dbraw/zinc/69/41/46/588694146.db2.gz HRNKZJYAVMRHID-SNVBAGLBSA-N 1 0 209.293 0.307 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852669115 588695230 /nfs/dbraw/zinc/69/52/30/588695230.db2.gz MKDRZRGGXAPPFR-SDDRHHMPSA-N 1 0 236.315 0.093 20 30 BCEDRO C#CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000852710129 588696933 /nfs/dbraw/zinc/69/69/33/588696933.db2.gz KXYVMRIIFBCLRK-GFCCVEGCSA-N 1 0 208.305 0.151 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@@H]1CCOC1 ZINC000852749223 588698426 /nfs/dbraw/zinc/69/84/26/588698426.db2.gz SXDJSTVXZWDQHQ-LBPRGKRZSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CCN1CCO[C@@H](CCC[NH+](C)C)C1 ZINC000852761375 588700851 /nfs/dbraw/zinc/70/08/51/588700851.db2.gz VIMPGVZRZRTUJC-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO COc1cc(C(=O)N(C)[C@@H](C)C[NH3+])ccc1C#N ZINC000852796334 588703600 /nfs/dbraw/zinc/70/36/00/588703600.db2.gz CENYBNGSGNYYTG-VIFPVBQESA-N 1 0 247.298 0.986 20 30 BCEDRO COC[C@@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852801548 588703777 /nfs/dbraw/zinc/70/37/77/588703777.db2.gz PILDXWVEYDAMPC-SNVBAGLBSA-N 1 0 224.304 0.141 20 30 BCEDRO CCCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852799016 588704027 /nfs/dbraw/zinc/70/40/27/588704027.db2.gz CSZJPMHIHPELDZ-UHFFFAOYSA-N 1 0 208.305 0.906 20 30 BCEDRO C=CCN(CC=C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852799759 588704108 /nfs/dbraw/zinc/70/41/08/588704108.db2.gz HNEFQHOXVKHQEJ-SECBINFHSA-N 1 0 223.276 0.291 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NC[C@H]1CCCO1 ZINC000852799119 588704135 /nfs/dbraw/zinc/70/41/35/588704135.db2.gz DHXWQNQQDZNTBK-GFCCVEGCSA-N 1 0 236.315 0.285 20 30 BCEDRO Cn1nccc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852809282 588704792 /nfs/dbraw/zinc/70/47/92/588704792.db2.gz CKPATZJAKAIOFO-UHFFFAOYSA-N 1 0 232.287 0.362 20 30 BCEDRO CCOCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852808388 588704882 /nfs/dbraw/zinc/70/48/82/588704882.db2.gz UVFRPOFVNPBOIL-UHFFFAOYSA-N 1 0 224.304 0.142 20 30 BCEDRO COCCCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852815182 588705240 /nfs/dbraw/zinc/70/52/40/588705240.db2.gz QYATVXJIUSPUBE-UHFFFAOYSA-N 1 0 238.331 0.532 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(CF)cc1 ZINC000852827263 588706207 /nfs/dbraw/zinc/70/62/07/588706207.db2.gz FIGNVXDZMJLCOR-NEPJUHHUSA-N 1 0 247.273 0.997 20 30 BCEDRO CO[C@@H]1CC[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000852827766 588706342 /nfs/dbraw/zinc/70/63/42/588706342.db2.gz PBYTWYRVEATBOT-ZDCRXTMVSA-N 1 0 237.303 0.029 20 30 BCEDRO CC1(C)CC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852828527 588706467 /nfs/dbraw/zinc/70/64/67/588706467.db2.gz YJAUEGXOYVNQHP-BBBLOLIVSA-N 1 0 221.304 0.650 20 30 BCEDRO C=CC1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)CC1 ZINC000852838796 588707304 /nfs/dbraw/zinc/70/73/04/588707304.db2.gz OZTAKQWFAMXJBA-JTQLQIEISA-N 1 0 237.303 0.515 20 30 BCEDRO C=C[C@@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852841444 588707464 /nfs/dbraw/zinc/70/74/64/588707464.db2.gz KKJMMHBBRLHPPD-SNVBAGLBSA-N 1 0 206.289 0.680 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N1C[C@H]2CC[C@@H](C1)O2 ZINC000852842531 588707809 /nfs/dbraw/zinc/70/78/09/588707809.db2.gz XKQXPDXMBUTCAW-BETUJISGSA-N 1 0 248.326 0.379 20 30 BCEDRO CC(C)n1nccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852875814 588710081 /nfs/dbraw/zinc/71/00/81/588710081.db2.gz QJAGGSWTEOMFCZ-ZJUUUORDSA-N 1 0 247.302 0.305 20 30 BCEDRO CO[C@H](C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852883434 588711388 /nfs/dbraw/zinc/71/13/88/588711388.db2.gz DSVLMOITGBUMFT-SNVBAGLBSA-N 1 0 224.304 0.141 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N[C@H]1CC12CC2 ZINC000852892333 588711756 /nfs/dbraw/zinc/71/17/56/588711756.db2.gz DPEBNLPPNYWPOQ-NSHDSACASA-N 1 0 218.300 0.658 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N1CC[C@H]2C[C@H]2C1 ZINC000852915278 588713151 /nfs/dbraw/zinc/71/31/51/588713151.db2.gz SKGAOBFLHKHFKE-STQMWFEESA-N 1 0 232.327 0.858 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)NCCCCC#N ZINC000861572743 589168949 /nfs/dbraw/zinc/16/89/49/589168949.db2.gz XSMOZOALINBWOQ-SECBINFHSA-N 1 0 212.297 0.669 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)NCC(C)(C)C#N ZINC000861619582 589170744 /nfs/dbraw/zinc/17/07/44/589170744.db2.gz KHWMJNLHZRLBDN-MRVPVSSYSA-N 1 0 212.297 0.525 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCC#N ZINC000861626965 589170895 /nfs/dbraw/zinc/17/08/95/589170895.db2.gz ARCFHLAUDNTZNV-DTWKUNHWSA-N 1 0 210.281 0.340 20 30 BCEDRO C#CCCCNC(=O)N(C)CCOCC[NH3+] ZINC000861623338 589171021 /nfs/dbraw/zinc/17/10/21/589171021.db2.gz GXAZIJXBVDYTGD-UHFFFAOYSA-N 1 0 227.308 0.017 20 30 BCEDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCC#N ZINC000861628321 589171100 /nfs/dbraw/zinc/17/11/00/589171100.db2.gz OGVANIJYHZTAQI-SNVBAGLBSA-N 1 0 224.308 0.539 20 30 BCEDRO CCCCCCCNC(=O)N(CC[NH3+])CCO ZINC000861655633 589173128 /nfs/dbraw/zinc/17/31/28/589173128.db2.gz XFMUQROOLGFRJZ-UHFFFAOYSA-N 1 0 245.367 0.919 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861686256 589174354 /nfs/dbraw/zinc/17/43/54/589174354.db2.gz XDIJTTBEFJEQHD-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861686740 589174357 /nfs/dbraw/zinc/17/43/57/589174357.db2.gz SADZBLWPFZUJFZ-NXEZZACHSA-N 1 0 209.293 0.449 20 30 BCEDRO C=CCN(C(=O)NCCOCCC[NH3+])C(C)C ZINC000861691589 589174979 /nfs/dbraw/zinc/17/49/79/589174979.db2.gz MKKYRWAQJUWSLB-UHFFFAOYSA-N 1 0 243.351 0.958 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861701510 589175222 /nfs/dbraw/zinc/17/52/22/589175222.db2.gz RNKJPRBWSYTDSF-NWDGAFQWSA-N 1 0 233.315 0.405 20 30 BCEDRO CCCCCCCNC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000861775993 589177801 /nfs/dbraw/zinc/17/78/01/589177801.db2.gz MNLZKOQXOHRRMG-SNVBAGLBSA-N 1 0 243.351 0.536 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cnnn1CC ZINC000862364536 589204699 /nfs/dbraw/zinc/20/46/99/589204699.db2.gz OOEOXLUKVBEALJ-UHFFFAOYSA-N 1 0 237.307 0.032 20 30 BCEDRO C=C(CO)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000862794172 589241429 /nfs/dbraw/zinc/24/14/29/589241429.db2.gz XYPXXAVSRQCBKC-NSHDSACASA-N 1 0 226.320 0.383 20 30 BCEDRO CC#CC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000862793275 589241637 /nfs/dbraw/zinc/24/16/37/589241637.db2.gz LUGYRSCGXONXEI-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO CON=CC(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000862794169 589241667 /nfs/dbraw/zinc/24/16/67/589241667.db2.gz XYAGCJKQYSSPSA-JTQLQIEISA-N 1 0 227.308 0.467 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C)C(=O)OC ZINC000862822340 589243390 /nfs/dbraw/zinc/24/33/90/589243390.db2.gz NKPTVZFNJSQHRH-VIFPVBQESA-N 1 0 228.292 0.124 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCC(C)(O)CC2)=[NH+]1 ZINC000863104962 589256395 /nfs/dbraw/zinc/25/63/95/589256395.db2.gz HTCHPQZQORGXEK-RZZZFEHKSA-N 1 0 224.308 0.605 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@H]1CCCCO1 ZINC000863105326 589256664 /nfs/dbraw/zinc/25/66/64/589256664.db2.gz MTTBHOBKYFDYNC-PSASIEDQSA-N 1 0 224.308 0.869 20 30 BCEDRO CCn1nncc1C=NNc1cc[nH+]c(C)c1 ZINC000863161255 589265460 /nfs/dbraw/zinc/26/54/60/589265460.db2.gz ZUCQOWZRMDJJER-UHFFFAOYSA-N 1 0 230.275 0.869 20 30 BCEDRO C#CCCCCC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000863319976 589279415 /nfs/dbraw/zinc/27/94/15/589279415.db2.gz CJIQJIZGFNTZDA-GFCCVEGCSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863559771 589298849 /nfs/dbraw/zinc/29/88/49/589298849.db2.gz UUVUODPDJCJEIP-QWRGUYRKSA-N 1 0 222.288 0.015 20 30 BCEDRO Cn1nccc1CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863555926 589299205 /nfs/dbraw/zinc/29/92/05/589299205.db2.gz YKAUXDUQLUAMPB-GFCCVEGCSA-N 1 0 248.330 0.607 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](CCC)OCC ZINC000863565737 589299439 /nfs/dbraw/zinc/29/94/39/589299439.db2.gz SQIBXHWXDOHLQF-GFCCVEGCSA-N 1 0 240.347 0.921 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)COC ZINC000863589408 589302491 /nfs/dbraw/zinc/30/24/91/589302491.db2.gz ODDSLLQERKYWBX-WDEREUQCSA-N 1 0 215.293 0.012 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]CCC(=O)N(C)OC ZINC000863589595 589302537 /nfs/dbraw/zinc/30/25/37/589302537.db2.gz SCDULMZCQGVRKD-LLVKDONJSA-N 1 0 242.319 0.414 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)COC(C)C ZINC000863588556 589302756 /nfs/dbraw/zinc/30/27/56/589302756.db2.gz BSDFPHIPUAVEJN-STQMWFEESA-N 1 0 243.347 0.790 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000863781263 589317229 /nfs/dbraw/zinc/31/72/29/589317229.db2.gz KCGPFNCUXVWAHA-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)[C@H](CC)[NH+](C)C ZINC000863785098 589317608 /nfs/dbraw/zinc/31/76/08/589317608.db2.gz ADGGUWCJKAMOFL-RYUDHWBXSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)[C@@H](CC)[NH+](C)C ZINC000863785099 589317716 /nfs/dbraw/zinc/31/77/16/589317716.db2.gz ADGGUWCJKAMOFL-VXGBXAGGSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)[C@H](CC)[NH+](C)C ZINC000863785094 589317750 /nfs/dbraw/zinc/31/77/50/589317750.db2.gz ADGGUWCJKAMOFL-NEPJUHHUSA-N 1 0 240.347 0.871 20 30 BCEDRO CC(C)(C)C#CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863835145 589322064 /nfs/dbraw/zinc/32/20/64/589322064.db2.gz SDDAIUQGJWIXPA-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC000863910159 589325401 /nfs/dbraw/zinc/32/54/01/589325401.db2.gz MPXWMQHVLZTKJY-SNVBAGLBSA-N 1 0 208.305 0.951 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C[N@H+](C)C1CCC1 ZINC000863910268 589325408 /nfs/dbraw/zinc/32/54/08/589325408.db2.gz WNRCFXQFTKMFOT-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)C[C@@](C)(O)C1CC1)C1CC1 ZINC000863970115 589330028 /nfs/dbraw/zinc/33/00/28/589330028.db2.gz PMPJTCJTMLMNPK-UONOGXRCSA-N 1 0 237.343 0.996 20 30 BCEDRO CNC(NCCCOC[C@H]1CCOC1)=[NH+]C ZINC000119932471 589348314 /nfs/dbraw/zinc/34/83/14/589348314.db2.gz MMAVEWDPXQIRAC-SNVBAGLBSA-N 1 0 229.324 0.224 20 30 BCEDRO CNC(N[C@H]1C[C@@H](C(=O)OC(C)(C)C)C1)=[NH+]C ZINC000864358120 589355562 /nfs/dbraw/zinc/35/55/62/589355562.db2.gz KCFAGJOFSZNKEC-DTORHVGOSA-N 1 0 241.335 0.902 20 30 BCEDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000864464247 589370540 /nfs/dbraw/zinc/37/05/40/589370540.db2.gz UJGSSENMVHAWIP-KCJUWKMLSA-N 1 0 229.287 0.976 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NCCC2CC2)nn1 ZINC000864469836 589373103 /nfs/dbraw/zinc/37/31/03/589373103.db2.gz TUMAXYGVFIPLKF-UHFFFAOYSA-N 1 0 248.334 0.878 20 30 BCEDRO C#CCNC(=S)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000865267594 589417399 /nfs/dbraw/zinc/41/73/99/589417399.db2.gz RMVVUWYXNGPJTQ-GHMZBOCLSA-N 1 0 237.372 0.520 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000865345314 589423028 /nfs/dbraw/zinc/42/30/28/589423028.db2.gz ZPFLOWFQKNKWGG-ZJUUUORDSA-N 1 0 207.277 0.156 20 30 BCEDRO C=CCNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000865344963 589423103 /nfs/dbraw/zinc/42/31/03/589423103.db2.gz UDHPUJCGHYIDJK-UHFFFAOYSA-N 1 0 241.335 0.630 20 30 BCEDRO C#CCCNC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000865851281 589464957 /nfs/dbraw/zinc/46/49/57/589464957.db2.gz CNRLSCBRSKIDTQ-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CC[C@@H](C)NC(=O)/C=C/CN1CCOCC1 ZINC000865926728 589468973 /nfs/dbraw/zinc/46/89/73/589468973.db2.gz YLIJQXJIASEKCY-FVOPLDGLSA-N 1 0 238.331 0.956 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3cc(C#N)cnn3)CC[C@@H]21 ZINC000866209395 589480510 /nfs/dbraw/zinc/48/05/10/589480510.db2.gz RRBGKQXRSSSSCS-RYUDHWBXSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3cc(C#N)cnn3)CC[C@H]21 ZINC000866209396 589480692 /nfs/dbraw/zinc/48/06/92/589480692.db2.gz RRBGKQXRSSSSCS-VXGBXAGGSA-N 1 0 243.314 0.879 20 30 BCEDRO C[NH+](C)CCCS(=O)(=O)OCC(F)(F)F ZINC000866377194 589488921 /nfs/dbraw/zinc/48/89/21/589488921.db2.gz HCTOIMKUCVFWDD-UHFFFAOYSA-N 1 0 249.254 0.847 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000866721524 589514894 /nfs/dbraw/zinc/51/48/94/589514894.db2.gz WINQXNDOPNPCLU-WDEREUQCSA-N 1 0 223.320 0.115 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000866721521 589515314 /nfs/dbraw/zinc/51/53/14/589515314.db2.gz WINQXNDOPNPCLU-GHMZBOCLSA-N 1 0 223.320 0.115 20 30 BCEDRO C#CCOCCC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000121692994 589526361 /nfs/dbraw/zinc/52/63/61/589526361.db2.gz NDXDMTWGILZDND-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO CC(C)(C[NH3+])NC(=O)c1coc(C#N)c1 ZINC000867963497 589541667 /nfs/dbraw/zinc/54/16/67/589541667.db2.gz OAMULERXIINUMB-UHFFFAOYSA-N 1 0 207.233 0.618 20 30 BCEDRO CN(C(=O)c1coc(C#N)c1)[C@H]1CC[NH2+]C1 ZINC000867964454 589541758 /nfs/dbraw/zinc/54/17/58/589541758.db2.gz YWFYMBUZTYKOIC-VIFPVBQESA-N 1 0 219.244 0.585 20 30 BCEDRO C[C@H]([NH3+])CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868037225 589545442 /nfs/dbraw/zinc/54/54/42/589545442.db2.gz BUFYZLBFSPRPKM-TVQRCGJNSA-N 1 0 243.310 0.879 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@H]1C[C@H]1[NH3+])C2 ZINC000868038623 589545708 /nfs/dbraw/zinc/54/57/08/589545708.db2.gz XOOUYGWLHYLUIZ-RWMBFGLXSA-N 1 0 241.294 0.489 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1coc(C#N)c1 ZINC000868337436 589555708 /nfs/dbraw/zinc/55/57/08/589555708.db2.gz DJACYDIMUGXTFH-QMMMGPOBSA-N 1 0 221.260 0.831 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000868513314 589562017 /nfs/dbraw/zinc/56/20/17/589562017.db2.gz DFPHLPABOWDAES-NWDGAFQWSA-N 1 0 237.347 0.990 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N(C)Cc1ncc[nH]1 ZINC000868538142 589563091 /nfs/dbraw/zinc/56/30/91/589563091.db2.gz OJDQMFORXXXFNB-VIFPVBQESA-N 1 0 220.276 0.963 20 30 BCEDRO C#CC(=O)Nc1cnn(C2CC[NH+](C)CC2)c1 ZINC000870533482 589671980 /nfs/dbraw/zinc/67/19/80/589671980.db2.gz NXNZJDIVAYLFHE-UHFFFAOYSA-N 1 0 232.287 0.722 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)co1 ZINC000870913389 589696724 /nfs/dbraw/zinc/69/67/24/589696724.db2.gz UDLADJSKQYSTCR-CYBMUJFWSA-N 1 0 245.282 0.977 20 30 BCEDRO N#Cc1cc(C(=O)N2CCC(C[NH3+])CC2)co1 ZINC000870933203 589697987 /nfs/dbraw/zinc/69/79/87/589697987.db2.gz RBYKPYKYDCQLID-UHFFFAOYSA-N 1 0 233.271 0.962 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)c1sccc1CC#N ZINC000870942373 589699705 /nfs/dbraw/zinc/69/97/05/589699705.db2.gz MCWFSYQXHCETQJ-ZETCQYMHSA-N 1 0 223.301 0.891 20 30 BCEDRO CC[C@H]([NH3+])CNC(=O)c1coc(C#N)c1 ZINC000870946381 589700304 /nfs/dbraw/zinc/70/03/04/589700304.db2.gz HEGDHXDKZBDVHF-QMMMGPOBSA-N 1 0 207.233 0.618 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CC[C@@H]([NH3+])CC1 ZINC000870956525 589701657 /nfs/dbraw/zinc/70/16/57/589701657.db2.gz WIOOEGRRJLEUGL-PHIMTYICSA-N 1 0 226.320 0.823 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccnc(F)c1 ZINC000871006224 589709578 /nfs/dbraw/zinc/70/95/78/589709578.db2.gz UWIZFYNVQWCJCF-UHFFFAOYSA-N 1 0 237.278 0.955 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCC[C@@H]1O ZINC000871113224 589728394 /nfs/dbraw/zinc/72/83/94/589728394.db2.gz KARIPZSZDQNWTJ-UWVGGRQHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC(C)(C)C(C)(C)O ZINC000871195829 589743412 /nfs/dbraw/zinc/74/34/12/589743412.db2.gz WVGKRCDZEDZFFQ-UHFFFAOYSA-N 1 0 228.336 0.770 20 30 BCEDRO CNC(NCCC[C@H]1CCOC1=O)=[NH+]C ZINC000871603332 589773409 /nfs/dbraw/zinc/77/34/09/589773409.db2.gz OJTFQELGVODBIQ-QMMMGPOBSA-N 1 0 213.281 0.125 20 30 BCEDRO CCNC(NCCC[C@H]1CCOC1=O)=[NH+]CC ZINC000871603360 589773493 /nfs/dbraw/zinc/77/34/93/589773493.db2.gz PJZPZQYXNMNJBS-JTQLQIEISA-N 1 0 241.335 0.905 20 30 BCEDRO C[NH+](C)CCNC(=O)Nc1cc(CC#N)ccn1 ZINC000871718697 589798012 /nfs/dbraw/zinc/79/80/12/589798012.db2.gz KYURLWKXYIGWEV-UHFFFAOYSA-N 1 0 247.302 0.831 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000871926973 589832803 /nfs/dbraw/zinc/83/28/03/589832803.db2.gz LXAAXBDOROKFIP-VHSXEESVSA-N 1 0 234.303 0.209 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000871926813 589832959 /nfs/dbraw/zinc/83/29/59/589832959.db2.gz KZXDZQOQUZOLKQ-UWVGGRQHSA-N 1 0 236.319 0.761 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000871974696 589851086 /nfs/dbraw/zinc/85/10/86/589851086.db2.gz OEGLDGRUROGOLN-CHWSQXEVSA-N 1 0 225.332 0.854 20 30 BCEDRO C#CCCC[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000872203602 589890699 /nfs/dbraw/zinc/89/06/99/589890699.db2.gz KFEMHFRQMSKXGS-GFCCVEGCSA-N 1 0 241.331 0.282 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000872205513 589892201 /nfs/dbraw/zinc/89/22/01/589892201.db2.gz BARBETFGIUKTRO-OLZOCXBDSA-N 1 0 241.331 0.138 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872210317 589893958 /nfs/dbraw/zinc/89/39/58/589893958.db2.gz VNVHWKHSOFPTEX-TUAOUCFPSA-N 1 0 243.347 0.689 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872214080 589894464 /nfs/dbraw/zinc/89/44/64/589894464.db2.gz MRVRMCHYMOLNFZ-ZJUUUORDSA-N 1 0 217.309 0.035 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872214079 589894730 /nfs/dbraw/zinc/89/47/30/589894730.db2.gz MRVRMCHYMOLNFZ-VHSXEESVSA-N 1 0 217.309 0.035 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@H](SC)C1 ZINC000872224701 589897032 /nfs/dbraw/zinc/89/70/32/589897032.db2.gz JTYGGOOJVHGBBZ-MGCOHNPYSA-N 1 0 226.345 0.610 20 30 BCEDRO C#C[C@H]1CC[C@H]([NH2+]CCC(=O)NC(N)=O)CC1 ZINC000872252028 589900397 /nfs/dbraw/zinc/90/03/97/589900397.db2.gz WWYNSQGQEOVNPH-MGCOHNPYSA-N 1 0 237.303 0.353 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000872266321 589902880 /nfs/dbraw/zinc/90/28/80/589902880.db2.gz UROXUVWKROXUJK-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C=CCC[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872283500 589905698 /nfs/dbraw/zinc/90/56/98/589905698.db2.gz DBJVDGOEECZWPV-UHFFFAOYSA-N 1 0 238.331 0.934 20 30 BCEDRO C=CCOCC(=O)N1CC[NH2+]CCC1(C)C ZINC000872293828 589907291 /nfs/dbraw/zinc/90/72/91/589907291.db2.gz MRWYMJURDMCQJN-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO CN(C)C(=S)NN=CC1CC[NH+](C)CC1 ZINC000872349586 589915861 /nfs/dbraw/zinc/91/58/61/589915861.db2.gz AYXMQZFJHDHONH-UHFFFAOYSA-N 1 0 228.365 0.750 20 30 BCEDRO CC(C)S(=O)(=O)NN=CC1CC[NH+](C)CC1 ZINC000872346898 589915886 /nfs/dbraw/zinc/91/58/86/589915886.db2.gz CEHIYKCKPFPRLV-UHFFFAOYSA-N 1 0 247.364 0.642 20 30 BCEDRO C[NH+]1CCC(C=NN2CCCC2=O)CC1 ZINC000872360652 589919453 /nfs/dbraw/zinc/91/94/53/589919453.db2.gz BDJLRAKSKUMDOF-UHFFFAOYSA-N 1 0 209.293 0.936 20 30 BCEDRO COC[C@@H](C)N[NH+]=Cc1c(C)ccnc1N ZINC000872363222 589919947 /nfs/dbraw/zinc/91/99/47/589919947.db2.gz UGORXVUJTXFTPK-SECBINFHSA-N 1 0 222.292 0.931 20 30 BCEDRO Cc1ccnc(N)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000872364201 589920518 /nfs/dbraw/zinc/92/05/18/589920518.db2.gz FLMGREKDCDSVMG-QMMMGPOBSA-N 1 0 232.291 0.243 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1cc2c([nH]1)CCCC2 ZINC000872385261 589929154 /nfs/dbraw/zinc/92/91/54/589929154.db2.gz CYPJZFBXIGZBAL-UHFFFAOYSA-N 1 0 231.303 0.776 20 30 BCEDRO FC(F)c1ccc(C=NNC2=[NH+]CCN2)cn1 ZINC000872385446 589929260 /nfs/dbraw/zinc/92/92/60/589929260.db2.gz HHEOIKXKDKBPKN-UHFFFAOYSA-N 1 0 239.229 0.902 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@@H](C)CCSC ZINC000124821243 590091283 /nfs/dbraw/zinc/09/12/83/590091283.db2.gz DOKVVDDSZAMBGC-JTQLQIEISA-N 1 0 228.361 0.809 20 30 BCEDRO COCCN(CCC#N)C(=O)C[NH+]1CCCC1 ZINC000874348766 590105457 /nfs/dbraw/zinc/10/54/57/590105457.db2.gz MOHXYTDPDRVSSH-UHFFFAOYSA-N 1 0 239.319 0.471 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N[C@@H](C#N)C2CC2)C1 ZINC000874448260 590111727 /nfs/dbraw/zinc/11/17/27/590111727.db2.gz PSZYPXCJZJASBN-KOLCDFICSA-N 1 0 221.304 0.747 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N[C@H](C#N)C2CC2)C1 ZINC000874448259 590112111 /nfs/dbraw/zinc/11/21/11/590112111.db2.gz PSZYPXCJZJASBN-GXSJLCMTSA-N 1 0 221.304 0.747 20 30 BCEDRO CC#CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874827024 590138482 /nfs/dbraw/zinc/13/84/82/590138482.db2.gz AHGBVLIPEWPZDT-MNOVXSKESA-N 1 0 206.289 0.705 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874840330 590145591 /nfs/dbraw/zinc/14/55/91/590145591.db2.gz MGWMTHPEFPGUGC-NEPJUHHUSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CCN1CCN(C(=O)[C@H](CC)[NH+](C)C)CC1 ZINC000125218233 590156558 /nfs/dbraw/zinc/15/65/58/590156558.db2.gz LYLRNJKZOMMOFZ-LBPRGKRZSA-N 1 0 237.347 0.104 20 30 BCEDRO C#CC[C@H](COC)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000875584328 590165819 /nfs/dbraw/zinc/16/58/19/590165819.db2.gz ZXXGWXDIUZBBJU-WDEREUQCSA-N 1 0 241.335 0.274 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(CC)OCC ZINC000875623756 590166917 /nfs/dbraw/zinc/16/69/17/590166917.db2.gz UTRJLJAZZHEWNT-UHFFFAOYSA-N 1 0 241.335 0.925 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C#N)CC1 ZINC000876449890 590201093 /nfs/dbraw/zinc/20/10/93/590201093.db2.gz RIYVAOVBEOQASC-NSHDSACASA-N 1 0 233.315 0.702 20 30 BCEDRO [NH3+]C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000876513454 590206098 /nfs/dbraw/zinc/20/60/98/590206098.db2.gz MHLJHQOESTVCFW-LLVKDONJSA-N 1 0 206.289 0.597 20 30 BCEDRO C[NH2+]C[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000876525506 590208378 /nfs/dbraw/zinc/20/83/78/590208378.db2.gz FBQVSFRNFRZRGT-NSHDSACASA-N 1 0 206.289 0.468 20 30 BCEDRO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H](C)[NH2+]1 ZINC000876530064 590209531 /nfs/dbraw/zinc/20/95/31/590209531.db2.gz JVLHSCCXFKIPSQ-AOOOYVTPSA-N 1 0 206.289 0.609 20 30 BCEDRO CC(C)C[C@@H](C[NH3+])NC(=O)C#CC1CC1 ZINC000876533588 590210708 /nfs/dbraw/zinc/21/07/08/590210708.db2.gz UBYHJGZUBMNUEA-NSHDSACASA-N 1 0 208.305 0.889 20 30 BCEDRO C[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1[NH3+] ZINC000876533763 590210730 /nfs/dbraw/zinc/21/07/30/590210730.db2.gz VSKNLGODJJQJBS-ONGXEEELSA-N 1 0 206.289 0.596 20 30 BCEDRO CC(C)(C)C#CC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000876537676 590211259 /nfs/dbraw/zinc/21/12/59/590211259.db2.gz YYQNCSUNPAXAJH-JTQLQIEISA-N 1 0 208.305 0.889 20 30 BCEDRO CN1CCN(C(=O)C#CC(C)(C)C)[C@@H](C[NH3+])C1 ZINC000876542290 590212712 /nfs/dbraw/zinc/21/27/12/590212712.db2.gz NBAIVPQVWREGIQ-NSHDSACASA-N 1 0 237.347 0.137 20 30 BCEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C#CC(C)(C)C)CCO1 ZINC000876544528 590213030 /nfs/dbraw/zinc/21/30/30/590213030.db2.gz VPQBBHFOYONCIZ-WDEREUQCSA-N 1 0 238.331 0.611 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1nncs1 ZINC000876544598 590213056 /nfs/dbraw/zinc/21/30/56/590213056.db2.gz XKKWFNAURIBEMX-RXMQYKEDSA-N 1 0 232.696 0.947 20 30 BCEDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C#CC(C)(C)C)CCO1 ZINC000876544525 590213335 /nfs/dbraw/zinc/21/33/35/590213335.db2.gz VPQBBHFOYONCIZ-MNOVXSKESA-N 1 0 238.331 0.611 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCOCC1 ZINC000876545580 590213652 /nfs/dbraw/zinc/21/36/52/590213652.db2.gz JZGCKDWIZIXWQY-MRVPVSSYSA-N 1 0 218.684 0.315 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCSC ZINC000876561494 590215675 /nfs/dbraw/zinc/21/56/75/590215675.db2.gz KPSLEUZRZOWSAU-SSDOTTSWSA-N 1 0 222.741 0.936 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC(=O)OC ZINC000876558286 590215705 /nfs/dbraw/zinc/21/57/05/590215705.db2.gz QIRZNUDESLCYIA-MRVPVSSYSA-N 1 0 248.710 0.526 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCOC ZINC000876577701 590218078 /nfs/dbraw/zinc/21/80/78/590218078.db2.gz KBJUUBNRTDLSMY-MRVPVSSYSA-N 1 0 220.700 0.561 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC)COC ZINC000876577773 590218329 /nfs/dbraw/zinc/21/83/29/590218329.db2.gz NYTQWSKMHJTOOW-BDAKNGLRSA-N 1 0 234.727 0.998 20 30 BCEDRO C[C@H](CCC#N)C[N@H+](C)CCS(C)(=O)=O ZINC000876585247 590218395 /nfs/dbraw/zinc/21/83/95/590218395.db2.gz FSMQJWUIHVBQGI-SNVBAGLBSA-N 1 0 232.349 0.903 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)OC ZINC000876599293 590220143 /nfs/dbraw/zinc/22/01/43/590220143.db2.gz ZINQXDMGBIVVDC-RQJHMYQMSA-N 1 0 234.683 0.134 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cn[nH]c1 ZINC000876600532 590220688 /nfs/dbraw/zinc/22/06/88/590220688.db2.gz GLJUMPCLDOAGDB-SSDOTTSWSA-N 1 0 214.656 0.818 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cnn(C)c1 ZINC000876618934 590222171 /nfs/dbraw/zinc/22/21/71/590222171.db2.gz JNHNVEGUWGRRQI-SECBINFHSA-N 1 0 242.710 0.506 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@H](O)CC ZINC000876636928 590224022 /nfs/dbraw/zinc/22/40/22/590224022.db2.gz NMSGRPDLGJOZMO-BDAKNGLRSA-N 1 0 234.727 0.734 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)C(=O)OC ZINC000876641909 590225524 /nfs/dbraw/zinc/22/55/24/590225524.db2.gz PXCHHFXLMCKMGA-XPUUQOCRSA-N 1 0 248.710 0.382 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](COC)C1 ZINC000876657149 590226687 /nfs/dbraw/zinc/22/66/87/590226687.db2.gz YVTCXWIBLOYJQY-ZJUUUORDSA-N 1 0 246.738 0.951 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](COC)C1 ZINC000876657148 590226859 /nfs/dbraw/zinc/22/68/59/590226859.db2.gz YVTCXWIBLOYJQY-VHSXEESVSA-N 1 0 246.738 0.951 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](O)CCC ZINC000876659107 590227525 /nfs/dbraw/zinc/22/75/25/590227525.db2.gz NOSXNGMNNGVYCB-IUCAKERBSA-N 1 0 234.727 0.734 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@]1(C)CCOC1 ZINC000876658850 590227544 /nfs/dbraw/zinc/22/75/44/590227544.db2.gz HVNVZPARWKSVAB-ONGXEEELSA-N 1 0 246.738 0.999 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[C@H](C)O ZINC000876669106 590228125 /nfs/dbraw/zinc/22/81/25/590228125.db2.gz AONYNKIPFSPPHT-IUCAKERBSA-N 1 0 234.727 0.686 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CCCO ZINC000876669018 590228253 /nfs/dbraw/zinc/22/82/53/590228253.db2.gz YPEFFKKVJUAEPO-IUCAKERBSA-N 1 0 234.727 0.734 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(C)(C)OC ZINC000876668745 590228323 /nfs/dbraw/zinc/22/83/23/590228323.db2.gz OYRKKFIPZBRLOG-QMMMGPOBSA-N 1 0 234.727 0.998 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000876788238 590240772 /nfs/dbraw/zinc/24/07/72/590240772.db2.gz YCBXQQPEEQIMGX-HTRCEHHLSA-N 1 0 219.716 0.167 20 30 BCEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C#CC1CC1 ZINC000876786696 590240816 /nfs/dbraw/zinc/24/08/16/590240816.db2.gz AWTXBFLGPMWCLJ-ONGXEEELSA-N 1 0 206.289 0.596 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC000876801327 590243301 /nfs/dbraw/zinc/24/33/01/590243301.db2.gz BBCMHTZPNFDPJF-VWYCJHECSA-N 1 0 233.315 0.794 20 30 BCEDRO COC1(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCC1 ZINC000876802153 590243435 /nfs/dbraw/zinc/24/34/35/590243435.db2.gz MDTBBWCMISILAR-ZJUUUORDSA-N 1 0 237.303 0.173 20 30 BCEDRO CCn1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(C)n1 ZINC000876802298 590243471 /nfs/dbraw/zinc/24/34/71/590243471.db2.gz NTCZJPFNRBVSQC-KOLCDFICSA-N 1 0 247.302 0.053 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CCC=CCC1 ZINC000876801307 590243496 /nfs/dbraw/zinc/24/34/96/590243496.db2.gz AUIBVLQOEJZZDJ-VXGBXAGGSA-N 1 0 233.315 0.961 20 30 BCEDRO CCC[C@H](OCC)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876803915 590243745 /nfs/dbraw/zinc/24/37/45/590243745.db2.gz ZKROLSMPQNITNH-VWYCJHECSA-N 1 0 239.319 0.419 20 30 BCEDRO CC(C)n1cnc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000876803936 590243808 /nfs/dbraw/zinc/24/38/08/590243808.db2.gz ZSBBGFXGPKSKSW-ZJUUUORDSA-N 1 0 247.302 0.305 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ocnc1C1CC1 ZINC000876802807 590244038 /nfs/dbraw/zinc/24/40/38/590244038.db2.gz SEWPHYJRBIHBDK-IUCAKERBSA-N 1 0 246.270 0.393 20 30 BCEDRO CCCc1nc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)co1 ZINC000876803175 590244098 /nfs/dbraw/zinc/24/40/98/590244098.db2.gz UWGCPWJPXQYTEM-BDAKNGLRSA-N 1 0 248.286 0.468 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)c1ncon1 ZINC000876806829 590244926 /nfs/dbraw/zinc/24/49/26/590244926.db2.gz VFJTYRXPPLWAGL-BQBZGAKWSA-N 1 0 244.682 0.717 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)C#CC1CC1 ZINC000876813886 590245374 /nfs/dbraw/zinc/24/53/74/590245374.db2.gz YFOFPPIKKVSJCF-GXSJLCMTSA-N 1 0 206.289 0.514 20 30 BCEDRO O=C(C#CC1CC1)N[C@@H]1CCC[NH2+]CC1 ZINC000876826281 590246292 /nfs/dbraw/zinc/24/62/92/590246292.db2.gz NCNWYJHHZVLKRH-LLVKDONJSA-N 1 0 206.289 0.658 20 30 BCEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C#CC1CC1 ZINC000876832377 590247600 /nfs/dbraw/zinc/24/76/00/590247600.db2.gz OTPFHXLCLDGDSR-ONGXEEELSA-N 1 0 206.289 0.657 20 30 BCEDRO C[C@H]1C[C@@H](NC(=O)C#CC2CC2)CC[NH2+]1 ZINC000876835653 590247936 /nfs/dbraw/zinc/24/79/36/590247936.db2.gz ZFTQMQCYHFZEGP-ONGXEEELSA-N 1 0 206.289 0.657 20 30 BCEDRO COC[C@]1(CNC(=O)C#CC2CC2)CCC[NH2+]1 ZINC000876849732 590249374 /nfs/dbraw/zinc/24/93/74/590249374.db2.gz XHGQQRWQMNZOLJ-CYBMUJFWSA-N 1 0 236.315 0.285 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000876857948 590250040 /nfs/dbraw/zinc/25/00/40/590250040.db2.gz XMXNISGLPZMFMM-NWDGAFQWSA-N 1 0 218.300 0.610 20 30 BCEDRO [NH3+]C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC000876871386 590251898 /nfs/dbraw/zinc/25/18/98/590251898.db2.gz VWWYUNCJPHPHIM-WDEREUQCSA-N 1 0 206.289 0.643 20 30 BCEDRO CC1(C)C[NH2+]CC[C@H]1NC(=O)C#CC1CC1 ZINC000876871684 590251975 /nfs/dbraw/zinc/25/19/75/590251975.db2.gz XYRQUSGTAMCROC-LLVKDONJSA-N 1 0 220.316 0.904 20 30 BCEDRO [NH3+]C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C1 ZINC000876871383 590252040 /nfs/dbraw/zinc/25/20/40/590252040.db2.gz VWWYUNCJPHPHIM-GHMZBOCLSA-N 1 0 206.289 0.643 20 30 BCEDRO C[C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C[NH3+] ZINC000876918244 590257158 /nfs/dbraw/zinc/25/71/58/590257158.db2.gz IYNTWSLHJKJXGY-CMPLNLGQSA-N 1 0 220.316 0.843 20 30 BCEDRO CCO[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C[NH3+] ZINC000876948628 590259997 /nfs/dbraw/zinc/25/99/97/590259997.db2.gz JETXEEBLOISCAI-VXGBXAGGSA-N 1 0 236.315 0.222 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@@H]1COCCO1 ZINC000876950015 590260058 /nfs/dbraw/zinc/26/00/58/590260058.db2.gz CNXLQBRQUPXSSU-GHMZBOCLSA-N 1 0 212.293 0.931 20 30 BCEDRO C=CCCCCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000876952602 590260354 /nfs/dbraw/zinc/26/03/54/590260354.db2.gz UWVBSKKBHQYQBL-NSHDSACASA-N 1 0 227.352 0.738 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CC2CC1(C[NH3+])C2 ZINC000876967734 590262529 /nfs/dbraw/zinc/26/25/29/590262529.db2.gz KFCWAWYJNOBFBA-UHFFFAOYSA-N 1 0 220.316 0.986 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876976666 590263443 /nfs/dbraw/zinc/26/34/43/590263443.db2.gz OBTIOQKLELMZIP-HOSYDEDBSA-N 1 0 239.294 0.696 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1C[NH2+]C[C@H]1/C=C/C ZINC000876974970 590263605 /nfs/dbraw/zinc/26/36/05/590263605.db2.gz YWYJZZQUFSEYDH-WEPHUFDCSA-N 1 0 238.331 0.717 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000876994934 590266609 /nfs/dbraw/zinc/26/66/09/590266609.db2.gz SNMDEVQZCABSTH-VHSXEESVSA-N 1 0 237.303 0.515 20 30 BCEDRO CCN(CC[NH3+])C(=O)c1coc(C#N)c1 ZINC000877006107 590268332 /nfs/dbraw/zinc/26/83/32/590268332.db2.gz QQBNNYINFLOFGL-UHFFFAOYSA-N 1 0 207.233 0.572 20 30 BCEDRO CCS(=O)(=O)CC[NH2+]C[C@@H](C)CCC#N ZINC000877005922 590268518 /nfs/dbraw/zinc/26/85/18/590268518.db2.gz NOKBUNHPJJYVJE-JTQLQIEISA-N 1 0 232.349 0.951 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)C#CC1CC1 ZINC000877023231 590270292 /nfs/dbraw/zinc/27/02/92/590270292.db2.gz JASPLHMLSFCOLD-WDEREUQCSA-N 1 0 206.289 0.657 20 30 BCEDRO CC[S@@](=O)CC[NH2+]Cc1cccc(C#N)n1 ZINC000877040861 590273426 /nfs/dbraw/zinc/27/34/26/590273426.db2.gz GBGSPEDHNIAXAV-MRXNPFEDSA-N 1 0 237.328 0.811 20 30 BCEDRO C[C@@H]1CC[C@@H](NC(=O)C#CC2CC2)C[NH2+]1 ZINC000877052942 590275245 /nfs/dbraw/zinc/27/52/45/590275245.db2.gz YTZBRCPUSQIPQY-MWLCHTKSSA-N 1 0 206.289 0.657 20 30 BCEDRO C#CCCC[NH2+]Cc1cnc(N)nc1N ZINC000877069839 590277295 /nfs/dbraw/zinc/27/72/95/590277295.db2.gz HGDNQEIYIUKBRH-UHFFFAOYSA-N 1 0 205.265 0.144 20 30 BCEDRO C=CCOCCCC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877101090 590283071 /nfs/dbraw/zinc/28/30/71/590283071.db2.gz DVNVFPDIDVKJJL-SNVBAGLBSA-N 1 0 214.309 0.775 20 30 BCEDRO C=C(Cl)C[C@@H](NC(=O)C[NH3+])C(=O)OCC ZINC000877144775 590291454 /nfs/dbraw/zinc/29/14/54/590291454.db2.gz VSGFVJULBXNFDP-SSDOTTSWSA-N 1 0 234.683 0.136 20 30 BCEDRO C[C@@H]([NH3+])C(=O)N(C)CCc1cccc(C#N)c1 ZINC000877224411 590301345 /nfs/dbraw/zinc/30/13/45/590301345.db2.gz XECDCBVMWXQCJJ-SNVBAGLBSA-N 1 0 231.299 0.906 20 30 BCEDRO CN(CCc1cccc(C#N)c1)C(=O)C[NH3+] ZINC000877224533 590301490 /nfs/dbraw/zinc/30/14/90/590301490.db2.gz ZFOAMXCBEVLSGC-UHFFFAOYSA-N 1 0 217.272 0.518 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)Cc1ncc[nH]1 ZINC000877233473 590302058 /nfs/dbraw/zinc/30/20/58/590302058.db2.gz UMAYZICYLIJTOZ-MRVPVSSYSA-N 1 0 242.710 0.838 20 30 BCEDRO COc1ccc(NC(=O)C2([NH3+])CC2)cc1C#N ZINC000877270756 590305110 /nfs/dbraw/zinc/30/51/10/590305110.db2.gz JRAZSITYCHHRKQ-UHFFFAOYSA-N 1 0 231.255 0.997 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280583 590306186 /nfs/dbraw/zinc/30/61/86/590306186.db2.gz HVUBKRCQLUDXNQ-MNOVXSKESA-N 1 0 224.304 0.542 20 30 BCEDRO [NH3+][C@H]1CC[C@H](NC(=O)C#CC2CC2)CC1 ZINC000877293515 590307630 /nfs/dbraw/zinc/30/76/30/590307630.db2.gz PCLNSEVNWUGFAG-XYPYZODXSA-N 1 0 206.289 0.786 20 30 BCEDRO C=CC(C)(C)CCCNC(=O)C1(O)C[NH2+]C1 ZINC000877303842 590310477 /nfs/dbraw/zinc/31/04/77/590310477.db2.gz OPDHFLOAIGPQIX-UHFFFAOYSA-N 1 0 226.320 0.429 20 30 BCEDRO C=CC(C)(C)CCCNC(=O)CNC(=O)C[NH3+] ZINC000877304047 590311025 /nfs/dbraw/zinc/31/10/25/590311025.db2.gz RUZMUYLKHNEJBC-UHFFFAOYSA-N 1 0 241.335 0.170 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](OC)C1CCOCC1 ZINC000877339197 590318248 /nfs/dbraw/zinc/31/82/48/590318248.db2.gz ULLWGLSIYGXICA-STQMWFEESA-N 1 0 243.347 0.955 20 30 BCEDRO CO[C@@H](C[NH2+]CCC#N)C1CCOCC1 ZINC000877484232 590337897 /nfs/dbraw/zinc/33/78/97/590337897.db2.gz YQXKUAUQXIAYQB-NSHDSACASA-N 1 0 212.293 0.931 20 30 BCEDRO CC(C)(O)C[NH+]1CCC(NCCC#N)CC1 ZINC000877482592 590338121 /nfs/dbraw/zinc/33/81/21/590338121.db2.gz DOMROJQZMJODLK-UHFFFAOYSA-N 1 0 225.336 0.725 20 30 BCEDRO COC[C@@H](O)C[NH2+]C[C@@H](C)CCC#N ZINC000877505780 590343188 /nfs/dbraw/zinc/34/31/88/590343188.db2.gz YSNGJWUQXOODMS-UWVGGRQHSA-N 1 0 200.282 0.523 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877514698 590345970 /nfs/dbraw/zinc/34/59/70/590345970.db2.gz UJFRFBORTFQXCZ-SECBINFHSA-N 1 0 238.312 0.445 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]Cc1cnn(C)n1 ZINC000877521893 590347348 /nfs/dbraw/zinc/34/73/48/590347348.db2.gz KKSNKQQRJORDHW-VIFPVBQESA-N 1 0 207.281 0.845 20 30 BCEDRO N#Cc1cnn2cc(C[NH2+]C3CSC3)cnc12 ZINC000877635505 590380656 /nfs/dbraw/zinc/38/06/56/590380656.db2.gz UIDMLLYWDBXGPJ-UHFFFAOYSA-N 1 0 245.311 0.806 20 30 BCEDRO C#C[C@@H]([NH2+][C@H](C)Cn1cncn1)C1CCOCC1 ZINC000877638153 590381321 /nfs/dbraw/zinc/38/13/21/590381321.db2.gz SZBLZUSSLYAXHJ-DGCLKSJQSA-N 1 0 248.330 0.685 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cnc(N)nc1N ZINC000877659975 590387018 /nfs/dbraw/zinc/38/70/18/590387018.db2.gz CFRKMPPYRWTKCH-JTQLQIEISA-N 1 0 249.318 0.159 20 30 BCEDRO CON(C)C(=O)[C@@H](C)[NH2+]C[C@H](C)CCC#N ZINC000877660563 590387034 /nfs/dbraw/zinc/38/70/34/590387034.db2.gz NQAWQCGWKMRNEF-NXEZZACHSA-N 1 0 227.308 0.924 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H](C)Cn1cncn1 ZINC000877662006 590388027 /nfs/dbraw/zinc/38/80/27/590388027.db2.gz LJBZAEJDAJMHON-GHMZBOCLSA-N 1 0 222.292 0.295 20 30 BCEDRO C#CCOCCC(=O)NCC1CC[NH+](C)CC1 ZINC000126691470 590416691 /nfs/dbraw/zinc/41/66/91/590416691.db2.gz ANXCFSZUGCLSIX-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+]([C@@H](C)CC=C)CC1 ZINC000878048835 590481508 /nfs/dbraw/zinc/48/15/08/590481508.db2.gz DSKNOHRVMLJUBX-ZDUSSCGKSA-N 1 0 249.358 0.318 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000878112674 590497085 /nfs/dbraw/zinc/49/70/85/590497085.db2.gz UNAJLRUDTGERSL-NXEZZACHSA-N 1 0 232.349 0.575 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000878161777 590509867 /nfs/dbraw/zinc/50/98/67/590509867.db2.gz CBUPPBAOEGWLSG-NXEZZACHSA-N 1 0 242.319 0.418 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@](C)(O)C1 ZINC000878165724 590512722 /nfs/dbraw/zinc/51/27/22/590512722.db2.gz CVFDVQULDZCARV-KOLCDFICSA-N 1 0 213.277 0.561 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000878301529 590538944 /nfs/dbraw/zinc/53/89/44/590538944.db2.gz ZTIQAWKVEIFJST-DTWKUNHWSA-N 1 0 218.322 0.314 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000878301531 590539089 /nfs/dbraw/zinc/53/90/89/590539089.db2.gz ZTIQAWKVEIFJST-RKDXNWHRSA-N 1 0 218.322 0.314 20 30 BCEDRO C#CCCCCC[N@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000878319621 590544798 /nfs/dbraw/zinc/54/47/98/590544798.db2.gz XOWBPWHAPDPOMM-NSHDSACASA-N 1 0 249.314 0.416 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000878331578 590548643 /nfs/dbraw/zinc/54/86/43/590548643.db2.gz WCYDBZZXEONRBS-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000878335342 590549218 /nfs/dbraw/zinc/54/92/18/590549218.db2.gz LIODUKGYKMXAMC-BBBLOLIVSA-N 1 0 213.277 0.417 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000878335343 590549499 /nfs/dbraw/zinc/54/94/99/590549499.db2.gz LIODUKGYKMXAMC-IVZWLZJFSA-N 1 0 213.277 0.417 20 30 BCEDRO Cn1nnnc1CC[NH+]1CCC(C)(C#N)CC1 ZINC000878389886 590558523 /nfs/dbraw/zinc/55/85/23/590558523.db2.gz XERFPOHJPXVQEX-UHFFFAOYSA-N 1 0 234.307 0.378 20 30 BCEDRO Cn1nnnc1CCN1CCC[C@@](C)(C#N)C1 ZINC000878406568 590561744 /nfs/dbraw/zinc/56/17/44/590561744.db2.gz YIKPZHZNRPJBEL-NSHDSACASA-N 1 0 234.307 0.378 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1cnccn1)[C@H]1CCCO1 ZINC000878453930 590569121 /nfs/dbraw/zinc/56/91/21/590569121.db2.gz PPRLTVVFUHIKQK-CHWSQXEVSA-N 1 0 231.299 0.790 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000878500316 590580625 /nfs/dbraw/zinc/58/06/25/590580625.db2.gz DRPNAUJQYWMCKY-RYUDHWBXSA-N 1 0 211.305 0.463 20 30 BCEDRO C#CCCCCC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000878498876 590581033 /nfs/dbraw/zinc/58/10/33/590581033.db2.gz RFNCEXMNSAOQMB-CHWSQXEVSA-N 1 0 225.332 0.855 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000878543701 590589399 /nfs/dbraw/zinc/58/93/99/590589399.db2.gz GUCCSXMOLMCGBZ-JOYOIKCWSA-N 1 0 240.303 0.301 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000878543702 590589505 /nfs/dbraw/zinc/58/95/05/590589505.db2.gz GUCCSXMOLMCGBZ-SKDRFNHKSA-N 1 0 240.303 0.301 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccnn1C ZINC000878674879 590607963 /nfs/dbraw/zinc/60/79/63/590607963.db2.gz AOYCZXSKUGCUMB-MNOVXSKESA-N 1 0 207.277 0.853 20 30 BCEDRO N#Cc1ccc(C[NH+]2[C@H](CO)CC[C@H]2CO)o1 ZINC000878881661 590638272 /nfs/dbraw/zinc/63/82/72/590638272.db2.gz KXRFJQYEVCHKTG-UWVGGRQHSA-N 1 0 236.271 0.469 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1cn[nH]c1 ZINC000878875973 590638610 /nfs/dbraw/zinc/63/86/10/590638610.db2.gz HVVJQBHRDOOMCS-GFCCVEGCSA-N 1 0 246.314 0.686 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N(C)Cc1ccns1 ZINC000878898605 590642777 /nfs/dbraw/zinc/64/27/77/590642777.db2.gz DKGKRRPDZRIZJO-SECBINFHSA-N 1 0 237.328 0.713 20 30 BCEDRO C#CC[N@@H+](CC1(C(=O)OC)CC1)C1CSC1 ZINC000878910301 590646867 /nfs/dbraw/zinc/64/68/67/590646867.db2.gz RNTSNWURSQMBAV-UHFFFAOYSA-N 1 0 239.340 0.990 20 30 BCEDRO C[C@H]1CCCC[N@@H+]1CC(N)=NOCCCO ZINC000127402250 590651816 /nfs/dbraw/zinc/65/18/16/590651816.db2.gz PKFICGSTPZCICY-JTQLQIEISA-N 1 0 229.324 0.532 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CC1(CO)CCCC1 ZINC000878994825 590672950 /nfs/dbraw/zinc/67/29/50/590672950.db2.gz BECNEXLCOBPBSA-VXGBXAGGSA-N 1 0 243.347 0.427 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCc1cnccn1 ZINC000878999723 590674683 /nfs/dbraw/zinc/67/46/83/590674683.db2.gz SIETVQIPNBPJOA-UHFFFAOYSA-N 1 0 233.315 0.991 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CCc2nnnn2C)C1 ZINC000879031986 590680798 /nfs/dbraw/zinc/68/07/98/590680798.db2.gz GVDKCJFYHABKAB-SNVBAGLBSA-N 1 0 221.308 0.651 20 30 BCEDRO CC#CC[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879041587 590684747 /nfs/dbraw/zinc/68/47/47/590684747.db2.gz HPXVDMRJJNZTMD-SNVBAGLBSA-N 1 0 212.268 0.545 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879042837 590685581 /nfs/dbraw/zinc/68/55/81/590685581.db2.gz XULHXHWFZAQWRQ-QWRGUYRKSA-N 1 0 244.310 0.459 20 30 BCEDRO C#CC[NH+]1CCC(CCO)(CCO)CC1 ZINC000879283133 590727278 /nfs/dbraw/zinc/72/72/78/590727278.db2.gz YCBXUOTUSDVHDC-UHFFFAOYSA-N 1 0 211.305 0.467 20 30 BCEDRO C#CCCC[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000879355559 590752424 /nfs/dbraw/zinc/75/24/24/590752424.db2.gz FOOICPMMULAINV-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569377 590807123 /nfs/dbraw/zinc/80/71/23/590807123.db2.gz OFRFPAQIGFRVPJ-XQQFMLRXSA-N 1 0 249.358 0.150 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579652 590817519 /nfs/dbraw/zinc/81/75/19/590817519.db2.gz AQDFOZQPDJPRNG-FRRDWIJNSA-N 1 0 237.347 0.941 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879618398 590832233 /nfs/dbraw/zinc/83/22/33/590832233.db2.gz XTOUNFISFHLURN-QWRGUYRKSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879624587 590837177 /nfs/dbraw/zinc/83/71/77/590837177.db2.gz XKQQEOIHXHNFGP-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NCC#N)c1ccccc1O ZINC000879651056 590843500 /nfs/dbraw/zinc/84/35/00/590843500.db2.gz FXPSKRKYTRSNOS-VIFPVBQESA-N 1 0 233.271 0.683 20 30 BCEDRO COCC#CC[NH2+][C@@H](C)c1ccnn1C ZINC000879685442 590848430 /nfs/dbraw/zinc/84/84/30/590848430.db2.gz GVIOLUDSNXHLLI-JTQLQIEISA-N 1 0 207.277 0.721 20 30 BCEDRO COCC#CC[NH2+][C@H](C)c1ccnn1C ZINC000879685443 590848625 /nfs/dbraw/zinc/84/86/25/590848625.db2.gz GVIOLUDSNXHLLI-SNVBAGLBSA-N 1 0 207.277 0.721 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)c1ccnn1C ZINC000879687984 590850219 /nfs/dbraw/zinc/85/02/19/590850219.db2.gz ZQROTHQXVCPVNE-ZJUUUORDSA-N 1 0 222.292 0.999 20 30 BCEDRO Cn1nnnc1C1CC[NH+](CCCC#N)CC1 ZINC000879915316 590888921 /nfs/dbraw/zinc/88/89/21/590888921.db2.gz BQVWAGWSYXFXTF-UHFFFAOYSA-N 1 0 234.307 0.693 20 30 BCEDRO N#CCN1CCC[C@H]([NH2+]C2CCOCC2)C1 ZINC000880209230 590958263 /nfs/dbraw/zinc/95/82/63/590958263.db2.gz QWAWALFMXCYFNE-LBPRGKRZSA-N 1 0 223.320 0.743 20 30 BCEDRO N#CCNC(=O)C[N@H+]1CCC[C@H](CF)C1 ZINC000880231994 590963801 /nfs/dbraw/zinc/96/38/01/590963801.db2.gz CUNOMZSFRHBAPN-SECBINFHSA-N 1 0 213.256 0.308 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CF)C1 ZINC000880291798 590985371 /nfs/dbraw/zinc/98/53/71/590985371.db2.gz JFLXNOFXWKITHP-NXEZZACHSA-N 1 0 214.284 0.969 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](CF)C1 ZINC000880290982 590986441 /nfs/dbraw/zinc/98/64/41/590986441.db2.gz AIGFXZLRAIDSFS-VIFPVBQESA-N 1 0 200.257 0.580 20 30 BCEDRO COCC#CC[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311299 590999789 /nfs/dbraw/zinc/99/97/89/590999789.db2.gz AUJVISXCCROZAU-BETUJISGSA-N 1 0 236.315 0.046 20 30 BCEDRO C#CCC[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312161 591002600 /nfs/dbraw/zinc/00/26/00/591002600.db2.gz VDXVYOWZZVLPHB-TXEJJXNPSA-N 1 0 206.289 0.420 20 30 BCEDRO CO[C@H]1COCC[C@H]1[N@H+](C)CCOCCC#N ZINC000880436732 591038900 /nfs/dbraw/zinc/03/89/00/591038900.db2.gz AOLXHVNAABIIEC-NEPJUHHUSA-N 1 0 242.319 0.652 20 30 BCEDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CCO[C@@H](C)C#N ZINC000880437684 591041072 /nfs/dbraw/zinc/04/10/72/591041072.db2.gz PPNOEHPZOMPYAJ-SDDRHHMPSA-N 1 0 242.319 0.651 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CC)[C@H]1CCCOC1 ZINC000880463485 591052185 /nfs/dbraw/zinc/05/21/85/591052185.db2.gz SYDVRCFTEYYZTK-RYUDHWBXSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCC1(O)CC[NH+](CCC(C)=O)CC1 ZINC000880477288 591053332 /nfs/dbraw/zinc/05/33/32/591053332.db2.gz DVXIOLMTGIBORU-UHFFFAOYSA-N 1 0 209.289 0.816 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@@H](C)OC)CC1 ZINC000880481165 591055404 /nfs/dbraw/zinc/05/54/04/591055404.db2.gz NIUDIIBTACYCJT-LLVKDONJSA-N 1 0 211.305 0.872 20 30 BCEDRO CC(C)OC[C@@H](O)CO[NH+]=C(N)C(C)C ZINC000128468815 591078867 /nfs/dbraw/zinc/07/88/67/591078867.db2.gz QXBYZZBXRBIGSO-SECBINFHSA-N 1 0 218.297 0.717 20 30 BCEDRO C#CC[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880588357 591101389 /nfs/dbraw/zinc/10/13/89/591101389.db2.gz DULZZGZRFLYGIV-NSHDSACASA-N 1 0 209.289 0.483 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC2CSC2)CC1 ZINC000880736628 591134714 /nfs/dbraw/zinc/13/47/14/591134714.db2.gz FTSUEXLBWWWMMZ-UHFFFAOYSA-N 1 0 238.356 0.563 20 30 BCEDRO C=CCN(CC=C)C(=O)Cn1cc([C@H](C)[NH3+])nn1 ZINC000880984841 591156689 /nfs/dbraw/zinc/15/66/89/591156689.db2.gz DCJPSLVNTHFZQL-JTQLQIEISA-N 1 0 249.318 0.498 20 30 BCEDRO [NH2+]=C(NCCCF)N1CCSCC1 ZINC000128904886 591176129 /nfs/dbraw/zinc/17/61/29/591176129.db2.gz UXLMYPKSMAMFPC-UHFFFAOYSA-N 1 0 205.302 0.710 20 30 BCEDRO C[NH2+]Cc1cn(Cc2ccc(C#N)o2)nn1 ZINC000881303049 591184570 /nfs/dbraw/zinc/18/45/70/591184570.db2.gz QOQODORBMMULLF-UHFFFAOYSA-N 1 0 217.232 0.510 20 30 BCEDRO CC(C)[C@@H]([NH3+])c1cn(CCO[C@H](C)C#N)nn1 ZINC000881323688 591190454 /nfs/dbraw/zinc/19/04/54/591190454.db2.gz NXBXWIGDHHPFLR-MWLCHTKSSA-N 1 0 237.307 0.863 20 30 BCEDRO CCS(=O)(=O)CCN(C)CCCC#N ZINC000129380928 591286569 /nfs/dbraw/zinc/28/65/69/591286569.db2.gz QZCSKRACWQTOKQ-UHFFFAOYSA-N 1 0 218.322 0.657 20 30 BCEDRO C#CCN1C[C@@H](C)[N@H+](CCOC)[C@@H](C)C1 ZINC000129566251 591327933 /nfs/dbraw/zinc/32/79/33/591327933.db2.gz XZACQRXQPQLWJW-TXEJJXNPSA-N 1 0 210.321 0.661 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000882488828 591366445 /nfs/dbraw/zinc/36/64/45/591366445.db2.gz JQIUWDWJLAWFJA-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO C#CC1(NC(=O)[C@@H](C)[NH+](C)C)CCCC1 ZINC000882530323 591383829 /nfs/dbraw/zinc/38/38/29/591383829.db2.gz MLQSVNWZBIBNKQ-SNVBAGLBSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCCOC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882763961 591428950 /nfs/dbraw/zinc/42/89/50/591428950.db2.gz FXRSRBPRVUGQOD-JTQLQIEISA-N 1 0 210.277 0.830 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)[C@@H](CC)[NH+](C)C ZINC000882896668 591468795 /nfs/dbraw/zinc/46/87/95/591468795.db2.gz OEZTZVFSJYTQHB-GHMZBOCLSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000882900572 591470795 /nfs/dbraw/zinc/47/07/95/591470795.db2.gz NWMQUKNHCBLHQC-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C#Cc1cnc(NC[C@@H]2CC[N@H+]2CC)nc1 ZINC000882959118 591484695 /nfs/dbraw/zinc/48/46/95/591484695.db2.gz VKRHAHNTWDKVAT-NSHDSACASA-N 1 0 216.288 0.964 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000883123717 591543553 /nfs/dbraw/zinc/54/35/53/591543553.db2.gz INMXQTVNBGTPNP-SNVBAGLBSA-N 1 0 235.283 0.875 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000883125806 591544678 /nfs/dbraw/zinc/54/46/78/591544678.db2.gz VHHCHFDLOXRHMS-LBPRGKRZSA-N 1 0 244.298 0.442 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1cnn(CC)n1 ZINC000883131184 591546325 /nfs/dbraw/zinc/54/63/25/591546325.db2.gz MFNSNZCQPSGBOJ-UHFFFAOYSA-N 1 0 235.335 0.343 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cnc(Cl)n1C ZINC000883156352 591555911 /nfs/dbraw/zinc/55/59/11/591555911.db2.gz LXGHLDAJRXGGLA-VIFPVBQESA-N 1 0 241.722 0.937 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CCOC2)cc1 ZINC000131424313 591607874 /nfs/dbraw/zinc/60/78/74/591607874.db2.gz UZKIVXRBXGDJAG-CHWSQXEVSA-N 1 0 232.283 0.970 20 30 BCEDRO C[NH+]=C(NCc1ncn(C)n1)NCc1ccco1 ZINC000131477261 591610878 /nfs/dbraw/zinc/61/08/78/591610878.db2.gz YWIKESVZFYGOOI-UHFFFAOYSA-N 1 0 248.290 0.273 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CC(N)=O ZINC000883388733 591640347 /nfs/dbraw/zinc/64/03/47/591640347.db2.gz BFWCBUPKWTYTFE-IUCAKERBSA-N 1 0 200.282 0.167 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cnn(C)c1 ZINC000883401603 591648470 /nfs/dbraw/zinc/64/84/70/591648470.db2.gz ROSJGGJIYHFJQS-NSHDSACASA-N 1 0 209.293 0.837 20 30 BCEDRO C#CCCNC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000883487756 591680763 /nfs/dbraw/zinc/68/07/63/591680763.db2.gz WZNNBPDNJBMLCB-UHFFFAOYSA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCOCCNC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883566292 591693317 /nfs/dbraw/zinc/69/33/17/591693317.db2.gz RREGUMMLISXXLY-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO N#CCc1cccc(NC(=O)N2CC[NH2+]CC2)n1 ZINC000883587710 591695159 /nfs/dbraw/zinc/69/51/59/591695159.db2.gz PMOSCIOKHBYPQC-UHFFFAOYSA-N 1 0 245.286 0.585 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)Nc1cccc(CC#N)n1 ZINC000883587872 591695471 /nfs/dbraw/zinc/69/54/71/591695471.db2.gz VAAXGMGAQTXREG-VIFPVBQESA-N 1 0 247.302 0.959 20 30 BCEDRO N#CCc1cccc(NC(=O)NCC2C[NH2+]C2)n1 ZINC000883587522 591695784 /nfs/dbraw/zinc/69/57/84/591695784.db2.gz KJXDQDIQMHLQGJ-UHFFFAOYSA-N 1 0 245.286 0.489 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)Nc1cccc(CC#N)n1 ZINC000883587311 591695849 /nfs/dbraw/zinc/69/58/49/591695849.db2.gz FSCHDKGBPDMZEU-VIFPVBQESA-N 1 0 247.302 0.877 20 30 BCEDRO C[NH2+]CCN(C)C(=O)Nc1cccc(CC#N)n1 ZINC000883587900 591695921 /nfs/dbraw/zinc/69/59/21/591695921.db2.gz WBQPTWVGVOSYGV-UHFFFAOYSA-N 1 0 247.302 0.831 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000132272547 591696760 /nfs/dbraw/zinc/69/67/60/591696760.db2.gz BVXAPYXTGQWIOF-SECBINFHSA-N 1 0 235.374 0.376 20 30 BCEDRO C#C[C@H](CC)NC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000883602050 591699081 /nfs/dbraw/zinc/69/90/81/591699081.db2.gz MDNYILCZTVMCSF-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NCC1(C#N)CC1 ZINC000883668819 591715238 /nfs/dbraw/zinc/71/52/38/591715238.db2.gz MKPNMJYDCAJCBD-SNVBAGLBSA-N 1 0 236.319 0.684 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C(F)F ZINC000883667765 591715322 /nfs/dbraw/zinc/71/53/22/591715322.db2.gz FDSVLQGKOMOWHH-SECBINFHSA-N 1 0 247.289 0.894 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883763853 591736685 /nfs/dbraw/zinc/73/66/85/591736685.db2.gz KOOLSKDUURRWJX-NXEZZACHSA-N 1 0 227.308 0.886 20 30 BCEDRO C=CCN(C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883897025 591765447 /nfs/dbraw/zinc/76/54/47/591765447.db2.gz ZIXYZBNDSZJJHY-JTQLQIEISA-N 1 0 211.309 0.908 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)NC(C)C)C1 ZINC000884006521 591794311 /nfs/dbraw/zinc/79/43/11/591794311.db2.gz UBPBFXJPUPJWDR-NSHDSACASA-N 1 0 223.320 0.792 20 30 BCEDRO N#Cc1ccc(C(=O)N2CCC[NH2+]CC2)[nH]1 ZINC000884009024 591796815 /nfs/dbraw/zinc/79/68/15/591796815.db2.gz JMYATTXBFXAMKQ-UHFFFAOYSA-N 1 0 218.260 0.322 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000884011463 591797509 /nfs/dbraw/zinc/79/75/09/591797509.db2.gz FNJGVYPFLKORJY-SECBINFHSA-N 1 0 218.260 0.368 20 30 BCEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H](C)[NH2+]1 ZINC000884030308 591813599 /nfs/dbraw/zinc/81/35/99/591813599.db2.gz LVVYQNBFEMLKQO-RKDXNWHRSA-N 1 0 232.287 0.709 20 30 BCEDRO C=CCOCC(=O)OCCN1CCO[C@H](C)C1 ZINC000800161907 591829766 /nfs/dbraw/zinc/82/97/66/591829766.db2.gz AIEHUGFLKJFAKA-LLVKDONJSA-N 1 0 243.303 0.453 20 30 BCEDRO C=C[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884142309 591860082 /nfs/dbraw/zinc/86/00/82/591860082.db2.gz WVJFWXMOQDWQHD-URAGZPLESA-N 1 0 233.315 0.816 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)c1ccc(C#N)[nH]1 ZINC000884237804 591876833 /nfs/dbraw/zinc/87/68/33/591876833.db2.gz LVPKWFWKYUVXRN-ZETCQYMHSA-N 1 0 206.249 0.211 20 30 BCEDRO CN(C)C(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000134044007 591878151 /nfs/dbraw/zinc/87/81/51/591878151.db2.gz FSBGBLFSWAHLEL-VIFPVBQESA-N 1 0 215.297 0.058 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000884250276 591884028 /nfs/dbraw/zinc/88/40/28/591884028.db2.gz ATRCBUFGEDUDLH-WHOHXGKFSA-N 1 0 233.315 0.650 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)nc1 ZINC000884249970 591884278 /nfs/dbraw/zinc/88/42/78/591884278.db2.gz VEWSSCMCVQDUEI-GXSJLCMTSA-N 1 0 230.271 0.231 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H]2CC23CC[NH2+]CC3)[nH]1 ZINC000884291999 591895829 /nfs/dbraw/zinc/89/58/29/591895829.db2.gz NXUAUIWTUGHAKZ-LLVKDONJSA-N 1 0 244.298 0.758 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)[nH]1 ZINC000884303251 591899231 /nfs/dbraw/zinc/89/92/31/591899231.db2.gz KGJPHZIXQQVYEI-BDAKNGLRSA-N 1 0 232.287 0.744 20 30 BCEDRO C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C[NH3+] ZINC000884341194 591906848 /nfs/dbraw/zinc/90/68/48/591906848.db2.gz UJMJQDWSUUBKRD-UWVGGRQHSA-N 1 0 246.314 0.943 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884352950 591910703 /nfs/dbraw/zinc/91/07/03/591910703.db2.gz RSLWBDVZNZUEGF-DTWKUNHWSA-N 1 0 212.293 0.431 20 30 BCEDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C1(C#N)CCC1 ZINC000884364251 591916621 /nfs/dbraw/zinc/91/66/21/591916621.db2.gz PDUWMMKBNWLWLS-IUCAKERBSA-N 1 0 221.304 0.922 20 30 BCEDRO CC1(C)[C@H](NC(=O)C2(C#N)CCC2)C[C@@H]1[NH3+] ZINC000884364250 591916797 /nfs/dbraw/zinc/91/67/97/591916797.db2.gz PDUWMMKBNWLWLS-DTWKUNHWSA-N 1 0 221.304 0.922 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884389938 591923962 /nfs/dbraw/zinc/92/39/62/591923962.db2.gz JRTGEXIOJJYNPD-IUCAKERBSA-N 1 0 232.287 0.838 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC3CC2(C[NH3+])C3)[nH]1 ZINC000884408308 591926723 /nfs/dbraw/zinc/92/67/23/591926723.db2.gz CZCGTQARXAZISI-UHFFFAOYSA-N 1 0 230.271 0.450 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)[nH]1 ZINC000884419544 591929389 /nfs/dbraw/zinc/92/93/89/591929389.db2.gz UBNNIIWZHJIRAJ-RKDXNWHRSA-N 1 0 236.250 0.398 20 30 BCEDRO N#Cc1ccc(C(=O)N2C[C@@H]3CCC[C@@]3([NH3+])C2)[nH]1 ZINC000884426382 591930655 /nfs/dbraw/zinc/93/06/55/591930655.db2.gz KQVUVUDYQSWGIM-TVQRCGJNSA-N 1 0 244.298 0.840 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)c1ccc(C#N)[nH]1 ZINC000884445359 591936645 /nfs/dbraw/zinc/93/66/45/591936645.db2.gz LHCHSMDOVSHLRV-SSDOTTSWSA-N 1 0 206.249 0.306 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)[nH]1 ZINC000884469859 591943802 /nfs/dbraw/zinc/94/38/02/591943802.db2.gz YFJCMEODSIIMPG-OCAPTIKFSA-N 1 0 218.260 0.353 20 30 BCEDRO C[N@H+](CCO)CCNc1ccc(C#N)cc1 ZINC000884823790 592022078 /nfs/dbraw/zinc/02/20/78/592022078.db2.gz FFUHMJCKVAUAKR-UHFFFAOYSA-N 1 0 219.288 0.894 20 30 BCEDRO Cc1ccc(C#N)nc1NCC[N@H+](C)CCO ZINC000884825181 592023682 /nfs/dbraw/zinc/02/36/82/592023682.db2.gz JRKPBSMCAYMBJB-UHFFFAOYSA-N 1 0 234.303 0.598 20 30 BCEDRO Cc1ccc(NCC[N@H+](C)CCO)nc1C#N ZINC000884825230 592023790 /nfs/dbraw/zinc/02/37/90/592023790.db2.gz MOXQFLYZHGYMNM-UHFFFAOYSA-N 1 0 234.303 0.598 20 30 BCEDRO CN1CC[NH+](C[C@@H](O)CC2(C#N)CCC2)CC1 ZINC000885946508 592113118 /nfs/dbraw/zinc/11/31/18/592113118.db2.gz KUICANUTLKNNAR-LBPRGKRZSA-N 1 0 237.347 0.679 20 30 BCEDRO C#CC[NH+](CC#C)C[C@H]1C[C@]12CCOC2 ZINC000886028795 592136119 /nfs/dbraw/zinc/13/61/19/592136119.db2.gz XHSXEMCDGRLCNB-OLZOCXBDSA-N 1 0 203.285 0.981 20 30 BCEDRO C[C@@H](CO)[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886083759 592144906 /nfs/dbraw/zinc/14/49/06/592144906.db2.gz MOIWADACVWJKOU-WDEREUQCSA-N 1 0 226.320 0.744 20 30 BCEDRO C#C[C@H]([NH2+]C[C@](C)(O)C(F)F)[C@@H]1CCCO1 ZINC000886143271 592163011 /nfs/dbraw/zinc/16/30/11/592163011.db2.gz YDHACPPNWIAIFM-QXEWZRGKSA-N 1 0 233.258 0.773 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccc(CO)o2)C1 ZINC000886211236 592177209 /nfs/dbraw/zinc/17/72/09/592177209.db2.gz LLNPVNGCEXFATN-LBPRGKRZSA-N 1 0 248.326 0.959 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cnn(C)n2)C1 ZINC000886211768 592177230 /nfs/dbraw/zinc/17/72/30/592177230.db2.gz XLVOLTRXZZTQFP-LLVKDONJSA-N 1 0 233.319 0.002 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccnn2C)C1 ZINC000886212948 592177742 /nfs/dbraw/zinc/17/77/42/592177742.db2.gz IPGRHMRIXSWSSW-LBPRGKRZSA-N 1 0 232.331 0.607 20 30 BCEDRO C[C@@](O)(C[N@@H+]1CC[C@](O)(CC#N)C1)C(F)F ZINC000886265399 592189931 /nfs/dbraw/zinc/18/99/31/592189931.db2.gz HWIOLUQDBXBLDH-NXEZZACHSA-N 1 0 234.246 0.353 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cncc(O)c1 ZINC000886276678 592196219 /nfs/dbraw/zinc/19/62/19/592196219.db2.gz PMJXRGGMXALTGF-UHFFFAOYSA-N 1 0 235.287 0.521 20 30 BCEDRO N#CC1(C[C@H](O)C[N@H+]2CC=C[C@H]2CO)CCC1 ZINC000886317961 592207450 /nfs/dbraw/zinc/20/74/50/592207450.db2.gz FZZZOVTYIRTRGN-RYUDHWBXSA-N 1 0 236.315 0.664 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCN2CCNC2=O)o1 ZINC000886324063 592208552 /nfs/dbraw/zinc/20/85/52/592208552.db2.gz XVJPTSZRVQKBTD-UHFFFAOYSA-N 1 0 234.259 0.266 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC000886353015 592215180 /nfs/dbraw/zinc/21/51/80/592215180.db2.gz ADJFXYXCPIWVFI-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](C)S(C)(=O)=O)C1 ZINC000886365226 592215266 /nfs/dbraw/zinc/21/52/66/592215266.db2.gz CVPRRWHRYXYROT-MNOVXSKESA-N 1 0 229.345 0.765 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000886356054 592216416 /nfs/dbraw/zinc/21/64/16/592216416.db2.gz SNDNBTXSYHUKSF-QWHCGFSZSA-N 1 0 233.315 0.589 20 30 BCEDRO C#CC[C@@H]1CC[N@H+](CCn2cncn2)C1 ZINC000886358427 592216963 /nfs/dbraw/zinc/21/69/63/592216963.db2.gz UTOWXIJPWRZXFZ-LLVKDONJSA-N 1 0 204.277 0.623 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@H]2CON(CC)C2=O)C1 ZINC000886364386 592217487 /nfs/dbraw/zinc/21/74/87/592217487.db2.gz YFVXUXFKUGLHKT-QWRGUYRKSA-N 1 0 222.288 0.494 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@](C)(O)C(C)=O)C1 ZINC000886365728 592219237 /nfs/dbraw/zinc/21/92/37/592219237.db2.gz OKSVXRSSJWUYBT-RYUDHWBXSA-N 1 0 209.289 0.672 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC000886365288 592219320 /nfs/dbraw/zinc/21/93/20/592219320.db2.gz FKPRFWMDSJGLIY-NSHDSACASA-N 1 0 221.304 0.357 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCc2nnnn2C)C1 ZINC000886365409 592219414 /nfs/dbraw/zinc/21/94/14/592219414.db2.gz HQSZMYOEOSWRSO-SNVBAGLBSA-N 1 0 219.292 0.098 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@H]2CCN(CC)C2=O)C1 ZINC000886365386 592219496 /nfs/dbraw/zinc/21/94/96/592219496.db2.gz HGXJJYAYVAPMOK-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)O)C1 ZINC000886365197 592219727 /nfs/dbraw/zinc/21/97/27/592219727.db2.gz BYAQYYJLYVEMPX-NEPJUHHUSA-N 1 0 225.332 0.854 20 30 BCEDRO C#CCCCN1CC[N@@H+](CCCC#C)C[C@@H]1CO ZINC000886370181 592220620 /nfs/dbraw/zinc/22/06/20/592220620.db2.gz YGYCRIVMVORGEB-OAHLLOKOSA-N 1 0 248.370 0.792 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCCn2nncc2C1 ZINC000886457776 592226886 /nfs/dbraw/zinc/22/68/86/592226886.db2.gz OEJMJFNYIPIEPF-LBPRGKRZSA-N 1 0 236.319 0.811 20 30 BCEDRO C#CCOCC[N@@H+]1C[C@@H]2[C@H](O)CC[C@@H]2C1 ZINC000886572102 592266118 /nfs/dbraw/zinc/26/61/18/592266118.db2.gz XYJSBGILYIBMHT-GRYCIOLGSA-N 1 0 209.289 0.339 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000886639896 592286007 /nfs/dbraw/zinc/28/60/07/592286007.db2.gz NNOWISGUPYPBEY-AEJSXWLSSA-N 1 0 213.277 0.465 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886639897 592286494 /nfs/dbraw/zinc/28/64/94/592286494.db2.gz NNOWISGUPYPBEY-BBBLOLIVSA-N 1 0 213.277 0.465 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)Cn2cncn2)C1 ZINC000886664867 592295778 /nfs/dbraw/zinc/29/57/78/592295778.db2.gz ZKUUCWSWRUWJFR-QWHCGFSZSA-N 1 0 247.346 0.354 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]Cc1nnc2c(=O)[nH]ccn12 ZINC000886704821 592309101 /nfs/dbraw/zinc/30/91/01/592309101.db2.gz QKFYKFNLGURXNE-SECBINFHSA-N 1 0 247.302 0.862 20 30 BCEDRO CC#CCC[NH+]1CCC(O)(COCCO)CC1 ZINC000886748964 592316346 /nfs/dbraw/zinc/31/63/46/592316346.db2.gz FDQKFUOQDYYVDE-UHFFFAOYSA-N 1 0 241.331 0.236 20 30 BCEDRO C=CCC1(O)CCN(Cc2n[nH]c(=O)[n-]2)CC1 ZINC000886776616 592320081 /nfs/dbraw/zinc/32/00/81/592320081.db2.gz LBOPXKZNMIUGRP-UHFFFAOYSA-N 1 0 238.291 0.413 20 30 BCEDRO C=CCC1(O)CC[NH+](C[C@](C)(O)C(C)=O)CC1 ZINC000886778868 592320671 /nfs/dbraw/zinc/32/06/71/592320671.db2.gz YRHJFGYMWDENGO-LBPRGKRZSA-N 1 0 241.331 0.729 20 30 BCEDRO C#CCC1(NC(=O)[C@H]2CN(C)CCO2)CCC1 ZINC000886792570 592323779 /nfs/dbraw/zinc/32/37/79/592323779.db2.gz FQUBJAMHNHTTDH-LLVKDONJSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CCC1(NC(=O)[C@H](C)[NH+](C)C)CCC1 ZINC000886792814 592325471 /nfs/dbraw/zinc/32/54/71/592325471.db2.gz NWPIEXHDQNWXMS-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886856138 592369872 /nfs/dbraw/zinc/36/98/72/592369872.db2.gz HYRYGKGFJKAXMZ-VHSXEESVSA-N 1 0 228.292 0.354 20 30 BCEDRO COC[C@@H]([NH2+]CCC#N)[C@H]1CCCOC1 ZINC000886906167 592393337 /nfs/dbraw/zinc/39/33/37/592393337.db2.gz SAJSQUOTUKCVMW-WDEREUQCSA-N 1 0 212.293 0.931 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H](COC)[C@H]1CCCOC1 ZINC000886913547 592395947 /nfs/dbraw/zinc/39/59/47/592395947.db2.gz DVCACMSWYOLDEQ-RWMBFGLXSA-N 1 0 243.347 0.955 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H](O)[C@H]2C)C1=O ZINC000887033248 592426905 /nfs/dbraw/zinc/42/69/05/592426905.db2.gz CNBBRFNPNOZDTB-IJLUTSLNSA-N 1 0 238.331 0.619 20 30 BCEDRO C=CCOCC[NH2+]C1(C(=O)NC)CCOCC1 ZINC000887091655 592438415 /nfs/dbraw/zinc/43/84/15/592438415.db2.gz RCOSFTPYHABMHY-UHFFFAOYSA-N 1 0 242.319 0.074 20 30 BCEDRO C#CCC1([NH2+]CC(=O)N(C)C)CCOCC1 ZINC000887120918 592444883 /nfs/dbraw/zinc/44/48/83/592444883.db2.gz RLROSZBLFMAGNR-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCC1([NH2+]C[C@H](O)CSC)CCOCC1 ZINC000887122100 592445165 /nfs/dbraw/zinc/44/51/65/592445165.db2.gz KWXZJMWGHOPTCW-NSHDSACASA-N 1 0 243.372 0.872 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000887281224 592476033 /nfs/dbraw/zinc/47/60/33/592476033.db2.gz SJPNYMRLFUCCHL-QMMMGPOBSA-N 1 0 231.246 0.164 20 30 BCEDRO C#CCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000887281223 592476148 /nfs/dbraw/zinc/47/61/48/592476148.db2.gz SJPNYMRLFUCCHL-MRVPVSSYSA-N 1 0 231.246 0.164 20 30 BCEDRO C#CCSCCNC(=[NH2+])NCC1CC1 ZINC000887355211 592487858 /nfs/dbraw/zinc/48/78/58/592487858.db2.gz HUJRGBYGWNVWPJ-UHFFFAOYSA-N 1 0 211.334 0.877 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])NCC(F)F ZINC000887361673 592490835 /nfs/dbraw/zinc/49/08/35/592490835.db2.gz GDWAOBMYINUFCM-YUMQZZPRSA-N 1 0 233.262 0.957 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CCO[C@](C)(C#N)C1 ZINC000887673318 592539798 /nfs/dbraw/zinc/53/97/98/592539798.db2.gz SSYCGBUPMXYBHO-GFCCVEGCSA-N 1 0 239.319 0.468 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N2CCO[C@](C)(C#N)C2)C1 ZINC000887677227 592540362 /nfs/dbraw/zinc/54/03/62/592540362.db2.gz SPQAPURWTRYCAB-CMPLNLGQSA-N 1 0 237.303 0.079 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@](C)(C#N)C1 ZINC000887677516 592540892 /nfs/dbraw/zinc/54/08/92/592540892.db2.gz YPFRKYMDENFRKO-ZYHUDNBSSA-N 1 0 237.303 0.222 20 30 BCEDRO C[C@@]1(C#N)CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000887692051 592542600 /nfs/dbraw/zinc/54/26/00/592542600.db2.gz DHQGYFOZXVWRDC-GFCCVEGCSA-N 1 0 249.314 0.223 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000302337904 592546562 /nfs/dbraw/zinc/54/65/62/592546562.db2.gz HCBNBEJNKRSXTJ-HBNTYKKESA-N 1 0 239.319 0.501 20 30 BCEDRO C[C@@H](C(=O)NCc1nc(C#N)cs1)[NH+](C)C ZINC000887976926 592564622 /nfs/dbraw/zinc/56/46/22/592564622.db2.gz YDFUJXVSPBTSKY-ZETCQYMHSA-N 1 0 238.316 0.581 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H]1C(=O)OC ZINC000888075334 592575436 /nfs/dbraw/zinc/57/54/36/592575436.db2.gz WNAQISRFLDKVFJ-JTQLQIEISA-N 1 0 240.303 0.268 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COCC[C@H]1OC ZINC000889189503 592588414 /nfs/dbraw/zinc/58/84/14/592588414.db2.gz XVHOLUFLSSFKIP-GHMZBOCLSA-N 1 0 242.319 0.024 20 30 BCEDRO CCCNC(=[NH2+])NCCCOC[C@H]1CCCO1 ZINC000104157905 592602849 /nfs/dbraw/zinc/60/28/49/592602849.db2.gz YLFOXOJUWSGMTR-LLVKDONJSA-N 1 0 243.351 0.886 20 30 BCEDRO CCCNC(=[NH2+])NCCCOC[C@@H]1CCCO1 ZINC000104157902 592602888 /nfs/dbraw/zinc/60/28/88/592602888.db2.gz YLFOXOJUWSGMTR-NSHDSACASA-N 1 0 243.351 0.886 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000890064086 592674107 /nfs/dbraw/zinc/67/41/07/592674107.db2.gz QFIUDIQAFLYGQD-GHMZBOCLSA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000890064088 592675180 /nfs/dbraw/zinc/67/51/80/592675180.db2.gz QFIUDIQAFLYGQD-QWRGUYRKSA-N 1 0 223.320 0.744 20 30 BCEDRO C=CCN(C(=O)[C@@H]([NH3+])CCOC)C1CC1 ZINC000131272509 592737200 /nfs/dbraw/zinc/73/72/00/592737200.db2.gz QRSRZRCQSZBPDI-JTQLQIEISA-N 1 0 212.293 0.527 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC001027407085 634509078 /nfs/dbraw/zinc/50/90/78/634509078.db2.gz ZTPAZKOIHWXJNO-CQSZACIVSA-N 1 0 244.338 0.956 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000083053511 635166029 /nfs/dbraw/zinc/16/60/29/635166029.db2.gz WLGBENQKSINXFN-SNVBAGLBSA-N 1 0 231.365 0.557 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccc[nH]3)[C@@H]2C1 ZINC000977796620 634563465 /nfs/dbraw/zinc/56/34/65/634563465.db2.gz PFKNVWSPSWNZAI-CNDDSTCGSA-N 1 0 243.310 0.556 20 30 BCEDRO C[C@@H]1C[C@@H]1NC(=[NH2+])NCCCN1CCOCC1 ZINC000104174127 634568420 /nfs/dbraw/zinc/56/84/20/634568420.db2.gz GQEQNASLCUKODR-MNOVXSKESA-N 1 0 240.351 0.021 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001027620575 634596941 /nfs/dbraw/zinc/59/69/41/634596941.db2.gz IOBAEPJDKGEWQU-SNVBAGLBSA-N 1 0 249.318 0.527 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C2CCOCC2)C1=O ZINC000336725175 635256466 /nfs/dbraw/zinc/25/64/66/635256466.db2.gz PTCWHCDAUBHLJY-LBPRGKRZSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)C(F)F)C1 ZINC000980835959 635284760 /nfs/dbraw/zinc/28/47/60/635284760.db2.gz GTZMEUAWNNGSBE-DTWKUNHWSA-N 1 0 230.258 0.902 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccnn2C)C1 ZINC001010361927 635421207 /nfs/dbraw/zinc/42/12/07/635421207.db2.gz PHCSYHSUCLLZIG-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cnon1 ZINC001028215763 635492448 /nfs/dbraw/zinc/49/24/48/635492448.db2.gz XTKIIFKUQGYOLK-VIFPVBQESA-N 1 0 236.275 0.450 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cscn2)C1 ZINC001010375703 635463298 /nfs/dbraw/zinc/46/32/98/635463298.db2.gz JRAODKNUJPBUBO-SNVBAGLBSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CCNC(=O)C[NH+]1[C@H](C)CCC[C@H]1C ZINC000066531497 635471637 /nfs/dbraw/zinc/47/16/37/635471637.db2.gz ZGILTDBTSKGVMS-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001028210543 635477369 /nfs/dbraw/zinc/47/73/69/635477369.db2.gz CTVDFLFHEJKWRG-SNVBAGLBSA-N 1 0 247.302 0.022 20 30 BCEDRO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001028213048 635482937 /nfs/dbraw/zinc/48/29/37/635482937.db2.gz QMLJKDFIAYUVTI-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO CC1(C#N)CCC([NH2+][C@@H]2CNOC2)CC1 ZINC000925858436 635549766 /nfs/dbraw/zinc/54/97/66/635549766.db2.gz COJCUVBPFKLWOL-HSOILSAZSA-N 1 0 209.293 0.952 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000971482443 631263335 /nfs/dbraw/zinc/26/33/35/631263335.db2.gz RVVGNMCWHZWYME-VXGBXAGGSA-N 1 0 240.347 0.722 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000971482891 631263496 /nfs/dbraw/zinc/26/34/96/631263496.db2.gz XOMZJFVUJRKSPN-NWDGAFQWSA-N 1 0 238.331 0.169 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000076157586 631288423 /nfs/dbraw/zinc/28/84/23/631288423.db2.gz VBSCQOVQRJQSOX-UHFFFAOYSA-N 1 0 236.315 0.238 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001022061444 631321087 /nfs/dbraw/zinc/32/10/87/631321087.db2.gz IQLMAANTZUUYIX-UTINFBMNSA-N 1 0 239.275 0.074 20 30 BCEDRO CCOCC[N@H+](C)CCO[C@@H](C)C#N ZINC000308544335 631337362 /nfs/dbraw/zinc/33/73/62/631337362.db2.gz NNFBSEVNCDICLU-JTQLQIEISA-N 1 0 200.282 0.883 20 30 BCEDRO COC(=O)[C@@](C)(O)C[N@H+](CCC#N)CC(C)C ZINC000080211101 631378472 /nfs/dbraw/zinc/37/84/72/631378472.db2.gz 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246.314 0.903 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1CCCN1C(=O)CNC1=O ZINC000934510846 631893411 /nfs/dbraw/zinc/89/34/11/631893411.db2.gz DFCSSHKLPQGVRQ-LLVKDONJSA-N 1 0 249.314 0.416 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1CCN1C(=O)N[C@@H](C)C1=O ZINC000934514719 631893809 /nfs/dbraw/zinc/89/38/09/631893809.db2.gz ANGCCQABCJJYKS-QWRGUYRKSA-N 1 0 249.314 0.414 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NCC1(O)CCC1 ZINC000849005155 631905712 /nfs/dbraw/zinc/90/57/12/631905712.db2.gz AAYKQGKTLGQUAD-UHFFFAOYSA-N 1 0 237.303 0.860 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(CC)n2)C1 ZINC001022806733 631966525 /nfs/dbraw/zinc/96/65/25/631966525.db2.gz YLTRLACKGMSJTM-PHIMTYICSA-N 1 0 246.314 0.387 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000309263421 631979838 /nfs/dbraw/zinc/97/98/38/631979838.db2.gz QQFVGARJGLEACP-QWRGUYRKSA-N 1 0 240.372 1.000 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001022836063 631981575 /nfs/dbraw/zinc/98/15/75/631981575.db2.gz SECCCZVXQDPLKX-QNWHQSFQSA-N 1 0 232.327 0.903 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nccs2)C1 ZINC001022881187 632026662 /nfs/dbraw/zinc/02/66/62/632026662.db2.gz FIHZAJFOLOJLDG-DTORHVGOSA-N 1 0 235.312 0.627 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC000972423925 632029286 /nfs/dbraw/zinc/02/92/86/632029286.db2.gz KYBDGVQELNOEDB-NWDGAFQWSA-N 1 0 232.327 0.952 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ncccc2F)C1 ZINC001022888141 632030891 /nfs/dbraw/zinc/03/08/91/632030891.db2.gz YMARRWPETYLHBE-AOOOYVTPSA-N 1 0 247.273 0.704 20 30 BCEDRO C#CCNC(=O)C[N@H+](C)CCc1ccccc1 ZINC000051997951 632039411 /nfs/dbraw/zinc/03/94/11/632039411.db2.gz OLHBBAOGZVMVCC-UHFFFAOYSA-N 1 0 230.311 0.910 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@@]23CCOC3)C1 ZINC001022948407 632076832 /nfs/dbraw/zinc/07/68/32/632076832.db2.gz VKHIRCCQWHTZTQ-GFQSEFKGSA-N 1 0 248.326 0.283 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC)C2)cn1 ZINC001022992704 632098405 /nfs/dbraw/zinc/09/84/05/632098405.db2.gz URPWDHXTYPTMJG-BETUJISGSA-N 1 0 243.310 0.933 20 30 BCEDRO C#C[C@H]([NH2+]CC1(O)CCC1)[C@H]1CCCO1 ZINC000308899031 632106671 /nfs/dbraw/zinc/10/66/71/632106671.db2.gz BIJKCILELJILSD-WDEREUQCSA-N 1 0 209.289 0.672 20 30 BCEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)NCCC#N ZINC000426417612 635712208 /nfs/dbraw/zinc/71/22/08/635712208.db2.gz BVQUPNSLHAIBMZ-SNVBAGLBSA-N 1 0 226.324 0.930 20 30 BCEDRO CC[N@H+](CCNC(=O)NCCC#N)C(C)C ZINC000426438376 635719099 /nfs/dbraw/zinc/71/90/99/635719099.db2.gz DBPKTOAJYGNVMI-UHFFFAOYSA-N 1 0 226.324 0.930 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NC(=O)NCCC#N ZINC000426438112 635719271 /nfs/dbraw/zinc/71/92/71/635719271.db2.gz RGPYAFMIROSACA-VIFPVBQESA-N 1 0 212.297 0.539 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@@H](C)c1nonc1C ZINC000926489758 632131408 /nfs/dbraw/zinc/13/14/08/632131408.db2.gz JDGXCQIOOAIHCD-JTQLQIEISA-N 1 0 236.319 0.984 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028650221 635770134 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632597165 /nfs/dbraw/zinc/59/71/65/632597165.db2.gz KLHRCYBNXJTKNQ-MNOVXSKESA-N 1 0 224.304 0.283 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)NCC)[C@@H]1CCCO1 ZINC000309639556 632597519 /nfs/dbraw/zinc/59/75/19/632597519.db2.gz KLHRCYBNXJTKNQ-QWRGUYRKSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(C)=O)C[C@@H]1CC ZINC000308968118 632598472 /nfs/dbraw/zinc/59/84/72/632598472.db2.gz XHGQQHSPNJKFED-RYUDHWBXSA-N 1 0 208.305 0.856 20 30 BCEDRO CC[NH2+]C[C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001023895382 632631406 /nfs/dbraw/zinc/63/14/06/632631406.db2.gz NSPQRKPPBCABDT-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CCCOC ZINC000309678725 632641767 /nfs/dbraw/zinc/64/17/67/632641767.db2.gz YUBIYTDQMYRBJU-LLVKDONJSA-N 1 0 249.376 0.992 20 30 BCEDRO C#CCSCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309771405 632669061 /nfs/dbraw/zinc/66/90/61/632669061.db2.gz KNHOJNPMHIQWPH-SNVBAGLBSA-N 1 0 240.372 1.000 20 30 BCEDRO CNC(=O)[C@@H]1CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000310303020 632717194 /nfs/dbraw/zinc/71/71/94/632717194.db2.gz PHXCQMMMHOBDNI-WDEREUQCSA-N 1 0 239.319 0.373 20 30 BCEDRO CCNC(NCc1cnn(C)c1)=[NH+]CC ZINC000161542880 632837837 /nfs/dbraw/zinc/83/78/37/632837837.db2.gz WRJDVFOAENHVNY-UHFFFAOYSA-N 1 0 209.297 0.495 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCC(C#N)CC1 ZINC000310388478 635826824 /nfs/dbraw/zinc/82/68/24/635826824.db2.gz KNJUKQUNKFWDKC-CYBMUJFWSA-N 1 0 239.363 0.923 20 30 BCEDRO COCCNC(=[NH2+])NCC1(CCOC)CCC1 ZINC000177645753 632855979 /nfs/dbraw/zinc/85/59/79/632855979.db2.gz RHZKVFIESWONCQ-UHFFFAOYSA-N 1 0 243.351 0.744 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000309263415 632860030 /nfs/dbraw/zinc/86/00/30/632860030.db2.gz QQFVGARJGLEACP-GHMZBOCLSA-N 1 0 240.372 1.000 20 30 BCEDRO CCNC(NC[C@H](C)N(C)C)=[NH+]CC ZINC000066245750 632860123 /nfs/dbraw/zinc/86/01/23/632860123.db2.gz NOLLHEOTZJTGKW-VIFPVBQESA-N 1 0 200.330 0.512 20 30 BCEDRO CC[C@@H]1COC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925002729 635839646 /nfs/dbraw/zinc/83/96/46/635839646.db2.gz MNCDTMOIQFGRFL-DGCLKSJQSA-N 1 0 237.347 0.989 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](CNC(=O)c2cnon2)C1 ZINC001028884043 635844494 /nfs/dbraw/zinc/84/44/94/635844494.db2.gz UZMFWDOFPGWFPQ-JTQLQIEISA-N 1 0 248.286 0.145 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cnon2)C1 ZINC001028881600 635844870 /nfs/dbraw/zinc/84/48/70/635844870.db2.gz YSJBXNKTVVSMOZ-VIFPVBQESA-N 1 0 236.275 0.307 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892547776 632956125 /nfs/dbraw/zinc/95/61/25/632956125.db2.gz DDSSWXHHDLHNOL-JFGNBEQYSA-N 1 0 236.319 0.669 20 30 BCEDRO C=CCNC(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000327659977 633056443 /nfs/dbraw/zinc/05/64/43/633056443.db2.gz WOKNCCJGFJHSHT-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)c1ccc(C#N)cc1 ZINC000309459147 633091236 /nfs/dbraw/zinc/09/12/36/633091236.db2.gz UBBUVTGMAYNYDO-VIFPVBQESA-N 1 0 217.272 0.977 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]([C@H](C)NC(C)=O)C1 ZINC001025302044 633096199 /nfs/dbraw/zinc/09/61/99/633096199.db2.gz RFZCMUSQYOPYAX-CMPLNLGQSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000309465427 633103999 /nfs/dbraw/zinc/10/39/99/633103999.db2.gz PTSDKWZWQNNGPD-WDEREUQCSA-N 1 0 247.360 0.744 20 30 BCEDRO CC(C)NC(=O)CNC(=[NH2+])NCC1CCC1 ZINC000170908430 633176528 /nfs/dbraw/zinc/17/65/28/633176528.db2.gz MTHMTIIDUUDPMM-UHFFFAOYSA-N 1 0 226.324 0.215 20 30 BCEDRO CCOCCCNC(=[NH2+])NCC1CCOCC1 ZINC000170904739 633177357 /nfs/dbraw/zinc/17/73/57/633177357.db2.gz SBIHVYQZYIFRKM-UHFFFAOYSA-N 1 0 243.351 0.744 20 30 BCEDRO C#CCOCCN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000851770136 633181083 /nfs/dbraw/zinc/18/10/83/633181083.db2.gz ZAKIYIJBWUQWOE-ZDUSSCGKSA-N 1 0 222.332 0.805 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@H](CC(=O)OC)C1CC1 ZINC000309581471 633206460 /nfs/dbraw/zinc/20/64/60/633206460.db2.gz QNMYSHTWHUMVBO-GHMZBOCLSA-N 1 0 227.304 0.855 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309671279 633222773 /nfs/dbraw/zinc/22/27/73/633222773.db2.gz JXEMNGOUJPUIMC-WDEREUQCSA-N 1 0 242.344 0.869 20 30 BCEDRO C=C[C@@H](C)NC(=S)NCC[NH+](C)C ZINC000308276572 633224625 /nfs/dbraw/zinc/22/46/25/633224625.db2.gz VIMCSRGBAMRIOM-MRVPVSSYSA-N 1 0 201.339 0.587 20 30 BCEDRO C#CCN(C)C(=O)NC[C@H](C[NH+](C)C)OCC ZINC000926847781 633229422 /nfs/dbraw/zinc/22/94/22/633229422.db2.gz VKQVWNAPPVVVKF-LLVKDONJSA-N 1 0 241.335 0.228 20 30 BCEDRO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)c1 ZINC000928435152 635929477 /nfs/dbraw/zinc/92/94/77/635929477.db2.gz LNAKUNUPIVHJFB-ZWNOBZJWSA-N 1 0 243.310 0.885 20 30 BCEDRO CNC(=O)[C@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000304218958 635937193 /nfs/dbraw/zinc/93/71/93/635937193.db2.gz GYBBWDVPDVKISD-NXEZZACHSA-N 1 0 225.292 0.125 20 30 BCEDRO CC(C)OCC[NH+]=C(N(C)C)N(C)C ZINC000305810196 635955541 /nfs/dbraw/zinc/95/55/41/635955541.db2.gz IRGZVCKPFYKTCD-UHFFFAOYSA-N 1 0 201.314 0.891 20 30 BCEDRO C/[NH+]=C(/N(C)C)N1CCC[C@@H](CC(N)=O)C1 ZINC000428745372 636026427 /nfs/dbraw/zinc/02/64/27/636026427.db2.gz SVFIVWUGNUEYCD-ZWVWWYOOSA-N 1 0 226.324 0.121 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000895102653 636057246 /nfs/dbraw/zinc/05/72/46/636057246.db2.gz DKHQARZGWYQNLP-IJLUTSLNSA-N 1 0 239.315 0.692 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)CO1 ZINC000895156609 636098628 /nfs/dbraw/zinc/09/86/28/636098628.db2.gz DYZNKAARVPXSCI-HRDYMLBCSA-N 1 0 214.265 0.134 20 30 BCEDRO CC1(C)C[C@H]([NH2+][C@H]2CCCN(O)C2=O)CO1 ZINC000895158016 636099391 /nfs/dbraw/zinc/09/93/91/636099391.db2.gz GYUXGIATXUQKMG-IUCAKERBSA-N 1 0 228.292 0.524 20 30 BCEDRO O=C1[C@H]([NH2+]C2CCSCC2)CCCN1O ZINC000895163362 636108135 /nfs/dbraw/zinc/10/81/35/636108135.db2.gz TYUZZTHXKMDIJJ-SECBINFHSA-N 1 0 230.333 0.852 20 30 BCEDRO C#CCOCCC(=O)NC1CC[NH+](C)CC1 ZINC000160243612 636131903 /nfs/dbraw/zinc/13/19/03/636131903.db2.gz LBCPIEJQTNWMCU-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000926864861 633730871 /nfs/dbraw/zinc/73/08/71/633730871.db2.gz PJRFQPAHSBCYOL-SDDRHHMPSA-N 1 0 240.347 0.960 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCSC1 ZINC000308517471 633742633 /nfs/dbraw/zinc/74/26/33/633742633.db2.gz NJDZSSTUKJFLHK-SECBINFHSA-N 1 0 235.374 0.682 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1OCC ZINC001025689070 633744444 /nfs/dbraw/zinc/74/44/44/633744444.db2.gz LONPRKXBLOEZRY-IEECTRCBSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)c2cnnn2C)C1 ZINC000926869756 633747370 /nfs/dbraw/zinc/74/73/70/633747370.db2.gz YJEQKFWXXKNAJL-NEPJUHHUSA-N 1 0 247.346 0.563 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1cn(C)cn1 ZINC000328305402 633752265 /nfs/dbraw/zinc/75/22/65/633752265.db2.gz VKOHSRDPCQGQKL-UHFFFAOYSA-N 1 0 220.320 0.465 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001019974564 633801421 /nfs/dbraw/zinc/80/14/21/633801421.db2.gz XOMWOLLPIOIBKT-DCAQKATOSA-N 1 0 224.304 0.588 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001019997675 633803274 /nfs/dbraw/zinc/80/32/74/633803274.db2.gz RECOQRHNZIUAAW-MGCOHNPYSA-N 1 0 234.303 0.836 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cocn2)C1 ZINC001020024491 633806023 /nfs/dbraw/zinc/80/60/23/633806023.db2.gz MZUJGTLVSFYOGO-KYZUINATSA-N 1 0 219.244 0.158 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cc(C)on2)C1 ZINC001020033956 633806494 /nfs/dbraw/zinc/80/64/94/633806494.db2.gz QKYMWPQHZIXYAT-XYPYZODXSA-N 1 0 247.298 0.396 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H](C)CO1 ZINC001025906417 633817986 /nfs/dbraw/zinc/81/79/86/633817986.db2.gz NGOUGVGQAKGQTI-LBELIVKGSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)COC)C[C@H]12 ZINC001026160057 633858499 /nfs/dbraw/zinc/85/84/99/633858499.db2.gz UUYAWVQHUNIPHV-GRYCIOLGSA-N 1 0 236.315 0.093 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C3CC3)C[C@H]21 ZINC001026163846 633867646 /nfs/dbraw/zinc/86/76/46/633867646.db2.gz SCBIVACZDIKVIX-YNEHKIRRSA-N 1 0 232.327 0.856 20 30 BCEDRO CC[C@]1([NH2+]CC(=O)NCCC#N)CCOC1 ZINC000309861244 633872866 /nfs/dbraw/zinc/87/28/66/633872866.db2.gz MREJSMOLVJQXGX-NSHDSACASA-N 1 0 225.292 0.175 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000930589785 633913767 /nfs/dbraw/zinc/91/37/67/633913767.db2.gz NWGBRJMNCLRFQU-SRVKXCTJSA-N 1 0 209.289 0.745 20 30 BCEDRO CC1(C)C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000309503684 633936885 /nfs/dbraw/zinc/93/68/85/633936885.db2.gz MJAZGLPRDXQYGZ-DJLDLDEBSA-N 1 0 207.277 0.260 20 30 BCEDRO CC#CC[NH2+][C@@]1(CC(=O)OC)CCCOC1 ZINC000309589039 633960990 /nfs/dbraw/zinc/96/09/90/633960990.db2.gz UBDOIZCGPKTSNU-GFCCVEGCSA-N 1 0 225.288 0.712 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccs1 ZINC000309637152 633977736 /nfs/dbraw/zinc/97/77/36/633977736.db2.gz NBKQHFXSRVLOAC-SFYZADRCSA-N 1 0 221.285 0.589 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccs1 ZINC000309637149 633978802 /nfs/dbraw/zinc/97/88/02/633978802.db2.gz NBKQHFXSRVLOAC-HTQZYQBOSA-N 1 0 221.285 0.589 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccoc1 ZINC000309635626 633979065 /nfs/dbraw/zinc/97/90/65/633979065.db2.gz MIWVGDKKILRSHD-DTWKUNHWSA-N 1 0 205.217 0.121 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](COC)C1CC1 ZINC000309666132 633986075 /nfs/dbraw/zinc/98/60/75/633986075.db2.gz UDWSZRVBKFALBC-NSHDSACASA-N 1 0 247.360 0.602 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](CC)CO ZINC000309720118 633997684 /nfs/dbraw/zinc/99/76/84/633997684.db2.gz VRWKFJQKYIIHEN-LLVKDONJSA-N 1 0 226.320 0.548 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C1CC(C)(C(=O)OCC)C1 ZINC000895490449 636151250 /nfs/dbraw/zinc/15/12/50/636151250.db2.gz PDTGYJASAAQVSK-ZBOXLXRLSA-N 1 0 239.315 0.692 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cn2cccnc2n1 ZINC000895490147 636151487 /nfs/dbraw/zinc/15/14/87/636151487.db2.gz NBWRRVHVXOUXBV-SNVBAGLBSA-N 1 0 230.271 0.203 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C1CC(C)(C(=O)OCC)C1 ZINC000895490448 636151518 /nfs/dbraw/zinc/15/15/18/636151518.db2.gz PDTGYJASAAQVSK-XSRFYTQQSA-N 1 0 239.315 0.692 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCCC[C@H]1C1(O)CC1 ZINC000930693089 634035040 /nfs/dbraw/zinc/03/50/40/634035040.db2.gz LURDGBQACGLIPO-MNOVXSKESA-N 1 0 224.304 0.640 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947679068 634081887 /nfs/dbraw/zinc/08/18/87/634081887.db2.gz DZSCNTNCHQAZIC-VHSXEESVSA-N 1 0 239.319 0.017 20 30 BCEDRO CC1(C)[C@H](NC(=[NH2+])N2CCCCC2)C[C@@H]1O ZINC000186871932 634087389 /nfs/dbraw/zinc/08/73/89/634087389.db2.gz ICOZKXFLNHTBKP-ZJUUUORDSA-N 1 0 225.336 0.946 20 30 BCEDRO N#Cc1cccc(CN[C@H]2C[NH2+]CCOC2)c1 ZINC000925608107 634141434 /nfs/dbraw/zinc/14/14/34/634141434.db2.gz YVDURYROJIBKNZ-ZDUSSCGKSA-N 1 0 231.299 0.636 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000930884598 634152765 /nfs/dbraw/zinc/15/27/65/634152765.db2.gz GEULZRKFWSJVCE-RYUDHWBXSA-N 1 0 223.316 0.608 20 30 BCEDRO C#C[C@H](NC(=O)NCC[NH+](C)C)[C@H]1CCCO1 ZINC000776228046 634233273 /nfs/dbraw/zinc/23/32/73/634233273.db2.gz NZEDDMYKMJZTAZ-WDEREUQCSA-N 1 0 239.319 0.028 20 30 BCEDRO [NH2+]=C(NCCCCCO)N1CCSCC1 ZINC000193020407 634262883 /nfs/dbraw/zinc/26/28/83/634262883.db2.gz RQQWVSFSWLBARC-UHFFFAOYSA-N 1 0 231.365 0.513 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCCCCO)C1 ZINC000195303346 634357691 /nfs/dbraw/zinc/35/76/91/634357691.db2.gz YBLWSVUGWVJDPF-JTQLQIEISA-N 1 0 213.325 0.806 20 30 BCEDRO C[C@H](CNC(=[NH2+])N(C)C)NC(=O)OC(C)(C)C ZINC000195292201 634358534 /nfs/dbraw/zinc/35/85/34/634358534.db2.gz YBSVHGBYZGVAJI-MRVPVSSYSA-N 1 0 244.339 0.776 20 30 BCEDRO CC(=O)NC[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000931338532 634362534 /nfs/dbraw/zinc/36/25/34/634362534.db2.gz RUHISDNUFMXJPS-NWDGAFQWSA-N 1 0 239.319 0.252 20 30 BCEDRO COCCNC(=[NH2+])NCCSC(F)(F)F ZINC000195522607 634364169 /nfs/dbraw/zinc/36/41/69/634364169.db2.gz LXTHGJXKPJCQRA-UHFFFAOYSA-N 1 0 245.270 0.790 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000925698699 634365321 /nfs/dbraw/zinc/36/53/21/634365321.db2.gz TXFMTFFIGTXZCG-VHSXEESVSA-N 1 0 224.308 0.650 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)C1CC1 ZINC001027707264 635118783 /nfs/dbraw/zinc/11/87/83/635118783.db2.gz CVIDYRBMMOOFSY-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccc[nH]1 ZINC001027753652 635135146 /nfs/dbraw/zinc/13/51/46/635135146.db2.gz RADXQXYTMDYONE-LLVKDONJSA-N 1 0 231.299 0.842 20 30 BCEDRO CC(C)(C)[NH2+]CCC(=O)N1CCO[C@H](C#N)C1 ZINC000093933801 635140851 /nfs/dbraw/zinc/14/08/51/635140851.db2.gz HLWQZPFKHWSYKJ-SNVBAGLBSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)C1=COCCC1 ZINC001027787117 635151500 /nfs/dbraw/zinc/15/15/00/635151500.db2.gz GBANDEXJFGOBJB-ZDUSSCGKSA-N 1 0 248.326 0.895 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CC[C@@H](NC(C)=O)C[C@@H]2C1 ZINC000979442555 635154991 /nfs/dbraw/zinc/15/49/91/635154991.db2.gz ILAPGFWCDYTGQT-YNEHKIRRSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[N@@H+]1CCCN(C(=O)c2cn[nH]c2)CC1 ZINC000980750447 635269637 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ZINC000925318472 636834668 /nfs/dbraw/zinc/83/46/68/636834668.db2.gz VEOOXXNAPUSJRT-MNOVXSKESA-N 1 0 249.314 0.414 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001014382415 636854672 /nfs/dbraw/zinc/85/46/72/636854672.db2.gz HOCDYVYWCDXYMB-UWVGGRQHSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC000989486512 636857977 /nfs/dbraw/zinc/85/79/77/636857977.db2.gz DRGNKSGMLROWBF-PWSUYJOCSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC000989488264 636859698 /nfs/dbraw/zinc/85/96/98/636859698.db2.gz QOOPAICZGUFHPR-ZYHUDNBSSA-N 1 0 248.330 0.717 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccncn2)C1 ZINC000989566282 636863266 /nfs/dbraw/zinc/86/32/66/636863266.db2.gz UCBGVVCBUQZQDZ-GHMZBOCLSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC000989569303 636863400 /nfs/dbraw/zinc/86/34/00/636863400.db2.gz SFOHRARTRURBJM-RKDXNWHRSA-N 1 0 235.291 0.183 20 30 BCEDRO C#CCNC(=O)C[N@@H+](CC1CC1)C(C)C ZINC000107836078 636864358 /nfs/dbraw/zinc/86/43/58/636864358.db2.gz WHSFKMSRBBQCSR-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ncccn2)C1 ZINC000989587990 636866114 /nfs/dbraw/zinc/86/61/14/636866114.db2.gz UKLHJNYMTGMZRV-WDEREUQCSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccnn2)C1 ZINC000989594231 636866443 /nfs/dbraw/zinc/86/64/43/636866443.db2.gz QUPOVSMWXHFXAL-WDEREUQCSA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC000989610000 636867725 /nfs/dbraw/zinc/86/77/25/636867725.db2.gz VNJZQKVPPFZQDZ-QWRGUYRKSA-N 1 0 248.330 0.717 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn(C)n2)C1 ZINC000989794637 636882193 /nfs/dbraw/zinc/88/21/93/636882193.db2.gz ZPZCGIWYDCBNBZ-WDEREUQCSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[N@@H+]1CC[C@]2(NC(=O)C(F)F)CCC[C@@H]12 ZINC000989883530 636889592 /nfs/dbraw/zinc/88/95/92/636889592.db2.gz KMSFRJHDKOWEDQ-BXKDBHETSA-N 1 0 242.269 0.998 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@@H]2C)CC1 ZINC000989890960 636891899 /nfs/dbraw/zinc/89/18/99/636891899.db2.gz VPJAILLNYBUQJC-CMPLNLGQSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCSCC[NH2+]C1CCN(OC)CC1 ZINC000323178195 636904903 /nfs/dbraw/zinc/90/49/03/636904903.db2.gz OPTGRBXWXYZRQW-UHFFFAOYSA-N 1 0 228.361 0.968 20 30 BCEDRO CC[NH2+]C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000990315260 636927529 /nfs/dbraw/zinc/92/75/29/636927529.db2.gz RSLXWUSNFCIYLC-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)Cc2ccon2)CC1 ZINC000990434093 636946628 /nfs/dbraw/zinc/94/66/28/636946628.db2.gz BSIGFFMKIXDDET-UHFFFAOYSA-N 1 0 247.298 0.431 20 30 BCEDRO C=CCCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000898662319 637051716 /nfs/dbraw/zinc/05/17/16/637051716.db2.gz PJGHYRIIXBSVHX-UHFFFAOYSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCC(=O)N(C)C ZINC000900239337 637176146 /nfs/dbraw/zinc/17/61/46/637176146.db2.gz DZMSHGFGMYEXKX-UHFFFAOYSA-N 1 0 241.335 0.089 20 30 BCEDRO N#CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900464966 637187535 /nfs/dbraw/zinc/18/75/35/637187535.db2.gz WGKOQUDFCFJDGE-ZJUUUORDSA-N 1 0 207.277 0.643 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C#N)CC ZINC000900470917 637189122 /nfs/dbraw/zinc/18/91/22/637189122.db2.gz DRKURUHLOIJBKB-JTQLQIEISA-N 1 0 209.293 0.913 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)c1nc[nH]n1 ZINC000900903636 637197097 /nfs/dbraw/zinc/19/70/97/637197097.db2.gz JQKUTJFJHAUDGK-SECBINFHSA-N 1 0 237.307 0.490 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@](C)(O)C1 ZINC000900950881 637208475 /nfs/dbraw/zinc/20/84/75/637208475.db2.gz DGDNRMMKKFLKRN-GFCCVEGCSA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](O)C1 ZINC000900931498 637215908 /nfs/dbraw/zinc/21/59/08/637215908.db2.gz OCZAJNKGBCBNAP-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@H]2C[C@@]3(CC[NH2+]C3)CO2)C1 ZINC000903787416 637381848 /nfs/dbraw/zinc/38/18/48/637381848.db2.gz WBSWOAZLEDHWQT-BFHYXJOUSA-N 1 0 249.358 0.991 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903787419 637382142 /nfs/dbraw/zinc/38/21/42/637382142.db2.gz WBSWOAZLEDHWQT-MJBXVCDLSA-N 1 0 249.358 0.991 20 30 BCEDRO CCNC(NC/C=C(/C)C(=O)OC)=[NH+]CC ZINC000905032454 637554535 /nfs/dbraw/zinc/55/45/35/637554535.db2.gz LWIJGVSCFJMEDO-CLFYSBASSA-N 1 0 227.308 0.681 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@H](O)C2(O)CCC2)cc1 ZINC000905040037 637558677 /nfs/dbraw/zinc/55/86/77/637558677.db2.gz YTPZKVVHYBBURR-ZDUSSCGKSA-N 1 0 246.310 0.924 20 30 BCEDRO C[C@](O)(C[NH2+]C1CCN(CC#N)CC1)C(F)F ZINC000905099024 637608675 /nfs/dbraw/zinc/60/86/75/637608675.db2.gz XZGXPXRJJGTKMO-NSHDSACASA-N 1 0 247.289 0.580 20 30 BCEDRO C[C@H](C#N)C[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905104392 637610516 /nfs/dbraw/zinc/61/05/16/637610516.db2.gz FSXFCMFHGHIOLA-GHMZBOCLSA-N 1 0 226.320 0.792 20 30 BCEDRO C#CCNC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000905136377 637646451 /nfs/dbraw/zinc/64/64/51/637646451.db2.gz OLYOWUKEIBPJKM-UHFFFAOYSA-N 1 0 232.287 0.580 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1nc(C2CC2)no1 ZINC000905151181 637661380 /nfs/dbraw/zinc/66/13/80/637661380.db2.gz IMIRKVUEUZBAPO-UHFFFAOYSA-N 1 0 248.286 0.242 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905207324 637695690 /nfs/dbraw/zinc/69/56/90/637695690.db2.gz GBFNBXQALLXGER-GFCCVEGCSA-N 1 0 241.331 0.282 20 30 BCEDRO C=CCCCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905216070 637699438 /nfs/dbraw/zinc/69/94/38/637699438.db2.gz PUFJAFYFSADXPU-GFCCVEGCSA-N 1 0 243.347 0.835 20 30 BCEDRO N#CC1(C[NH2+]C[C@H](O)CCC2(O)CCC2)CC1 ZINC000905244014 637703525 /nfs/dbraw/zinc/70/35/25/637703525.db2.gz OHVACNLPHTYOFZ-LLVKDONJSA-N 1 0 238.331 0.936 20 30 BCEDRO N#CC1(C[NH2+]C[C@@H](O)CC2(O)CCCC2)CC1 ZINC000905242934 637704068 /nfs/dbraw/zinc/70/40/68/637704068.db2.gz GCYKBTWCLIHCGD-NSHDSACASA-N 1 0 238.331 0.936 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)C1(O)CCOCC1)C(C)C ZINC000905245049 637705514 /nfs/dbraw/zinc/70/55/14/637705514.db2.gz TXXZVSHDJHNJKA-NWDGAFQWSA-N 1 0 241.331 0.136 20 30 BCEDRO N#CCC1(C[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000905247802 637706959 /nfs/dbraw/zinc/70/69/59/637706959.db2.gz MKNWJDTZSMLHQL-JTQLQIEISA-N 1 0 224.304 0.546 20 30 BCEDRO Cc1cccc([C@@H](O)C[NH2+]CC(=O)NCC#N)c1 ZINC000905257574 637713590 /nfs/dbraw/zinc/71/35/90/637713590.db2.gz RLPOLWCYQPEPME-LBPRGKRZSA-N 1 0 247.298 0.258 20 30 BCEDRO OCC#Cc1ccc(C2=CCC[NH2+]C2)cn1 ZINC000905296968 637728300 /nfs/dbraw/zinc/72/83/00/637728300.db2.gz UKQGYUQRPXAVQQ-UHFFFAOYSA-N 1 0 214.268 0.802 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@H](O)C2(O)CCCC2)C1 ZINC000905289870 637739045 /nfs/dbraw/zinc/73/90/45/637739045.db2.gz IXDJHPNSDMVZNI-TUAOUCFPSA-N 1 0 238.331 0.934 20 30 BCEDRO N#CC1(C[NH2+]C[C@H](O)C2(O)CCC2)CCC1 ZINC000905291188 637741261 /nfs/dbraw/zinc/74/12/61/637741261.db2.gz YRMCYKUUDVHYLA-JTQLQIEISA-N 1 0 224.304 0.546 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@](C)(O)C(F)F ZINC000905354955 637773271 /nfs/dbraw/zinc/77/32/71/637773271.db2.gz QIFFANYVUPYWRK-SCZZXKLOSA-N 1 0 223.263 0.919 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)C[C@H](O)c1ccccc1 ZINC000905356191 637774919 /nfs/dbraw/zinc/77/49/19/637774919.db2.gz DUJPBGAFGVEKNK-KGLIPLIRSA-N 1 0 249.310 0.056 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905356858 637775955 /nfs/dbraw/zinc/77/59/55/637775955.db2.gz IFVJPMVQSWKPDQ-RYUDHWBXSA-N 1 0 243.347 0.569 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905359688 637778126 /nfs/dbraw/zinc/77/81/26/637778126.db2.gz VPAISILYBZPQRK-VXGBXAGGSA-N 1 0 241.331 0.016 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@](C)(O)C(F)F ZINC000905360209 637778707 /nfs/dbraw/zinc/77/87/07/637778707.db2.gz XRYGZJFOLQUTQN-CBAPKCEASA-N 1 0 209.236 0.529 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905401217 637794874 /nfs/dbraw/zinc/79/48/74/637794874.db2.gz XBLGNPHLARMYGA-NEPJUHHUSA-N 1 0 241.331 0.280 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1C=CCC1 ZINC000905409791 637798897 /nfs/dbraw/zinc/79/88/97/637798897.db2.gz MRIRDZRUYZAMAJ-OLZOCXBDSA-N 1 0 237.347 0.749 20 30 BCEDRO CC(=NN1CCN(C)CC1)c1cc(C#N)ccn1 ZINC000905418178 637803602 /nfs/dbraw/zinc/80/36/02/637803602.db2.gz FTHUACQRNDZTHD-UHFFFAOYSA-N 1 0 243.314 0.925 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905450660 637809750 /nfs/dbraw/zinc/80/97/50/637809750.db2.gz HWRYDVOFLWMWRL-QWRGUYRKSA-N 1 0 229.320 0.179 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000905449139 637810041 /nfs/dbraw/zinc/81/00/41/637810041.db2.gz CTYIBORUTIKZLX-WCQYABFASA-N 1 0 242.363 0.358 20 30 BCEDRO CCN1CC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000905439387 637815666 /nfs/dbraw/zinc/81/56/66/637815666.db2.gz BZJLLZJLIMLABP-RYUDHWBXSA-N 1 0 237.347 0.725 20 30 BCEDRO Cc1cnc(Cl)c(C=NNC2=[NH+]CCN2)c1 ZINC000905478701 637818658 /nfs/dbraw/zinc/81/86/58/637818658.db2.gz LNQNHQYPPMMSPJ-UHFFFAOYSA-N 1 0 237.694 0.926 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C[C@@H](O)COCC)C1 ZINC000905459124 637823281 /nfs/dbraw/zinc/82/32/81/637823281.db2.gz FDCPRIMNYRGLTO-QWHCGFSZSA-N 1 0 240.347 0.071 20 30 BCEDRO C#CCN(CN1C[C@H](OC)CC1=O)C(C)C ZINC000905748567 637897179 /nfs/dbraw/zinc/89/71/79/637897179.db2.gz JOCGZBOFPNUIDH-LLVKDONJSA-N 1 0 224.304 0.535 20 30 BCEDRO CC(C)[NH2+]Cc1cn(CCO[C@@H](C)C#N)nn1 ZINC000905804416 637935045 /nfs/dbraw/zinc/93/50/45/637935045.db2.gz YWQYFOKIWOSXFP-JTQLQIEISA-N 1 0 237.307 0.705 20 30 BCEDRO C[NH2+][C@@H](C)c1cn(Cc2cncc(C#N)c2)nn1 ZINC000905838581 637940764 /nfs/dbraw/zinc/94/07/64/637940764.db2.gz RDICMJYITYBQCC-VIFPVBQESA-N 1 0 242.286 0.873 20 30 BCEDRO C[C@H]([NH2+][C@H]1COC[C@@H]1C)C(=O)N(C)CCC#N ZINC000905869006 637955009 /nfs/dbraw/zinc/95/50/09/637955009.db2.gz XVYWDVRMSJXXBN-DCAQKATOSA-N 1 0 239.319 0.371 20 30 BCEDRO C=CCOCC(=O)N(C)c1cc(C[NH3+])ccn1 ZINC000906226240 638119583 /nfs/dbraw/zinc/11/95/83/638119583.db2.gz ZRQAFNKYVRZRTC-UHFFFAOYSA-N 1 0 235.287 0.706 20 30 BCEDRO CCC[N@@H+]1CCC[C@@H](C(=O)N(CC#N)CC#N)C1 ZINC000906480387 638175951 /nfs/dbraw/zinc/17/59/51/638175951.db2.gz VGTUUIUOBGFKMV-GFCCVEGCSA-N 1 0 248.330 0.984 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCCOCCO ZINC000907271868 638333034 /nfs/dbraw/zinc/33/30/34/638333034.db2.gz HTSVXMXFHWBUKG-UHFFFAOYSA-N 1 0 244.335 0.010 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([C@@H](C)O)C1 ZINC000907263541 638336031 /nfs/dbraw/zinc/33/60/31/638336031.db2.gz IMXWVRLKMZBFHY-NEPJUHHUSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(C)CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907520932 638396192 /nfs/dbraw/zinc/39/61/92/638396192.db2.gz MNAURFZTWDIDGD-LBPRGKRZSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](O)[C@H](C)C1 ZINC000907541026 638398117 /nfs/dbraw/zinc/39/81/17/638398117.db2.gz YYYZVEDJIIUMKN-VXGBXAGGSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1CCO ZINC000907541632 638398966 /nfs/dbraw/zinc/39/89/66/638398966.db2.gz YBHBEDNYAJCAMB-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(C)CNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907520477 638403582 /nfs/dbraw/zinc/40/35/82/638403582.db2.gz DARYYCJZJNALCU-ONGXEEELSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@]2(CO)C1 ZINC000907609997 638409842 /nfs/dbraw/zinc/40/98/42/638409842.db2.gz FKNVDXQKYXKLNR-WCQYABFASA-N 1 0 238.331 0.335 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)OC ZINC000907633823 638426115 /nfs/dbraw/zinc/42/61/15/638426115.db2.gz IBAGUGQVFYUPHK-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](O)C[C@@H]1C ZINC000907664536 638438715 /nfs/dbraw/zinc/43/87/15/638438715.db2.gz RAXYFORLTXMRGW-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)c1ccnn1CC[NH+](C)C ZINC000907773263 638466364 /nfs/dbraw/zinc/46/63/64/638466364.db2.gz DYNKHQLHPJBWAW-LLVKDONJSA-N 1 0 248.330 0.538 20 30 BCEDRO C=CCCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907852012 638487411 /nfs/dbraw/zinc/48/74/11/638487411.db2.gz GZVCZWZIRMKSJL-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000907859897 638489501 /nfs/dbraw/zinc/48/95/01/638489501.db2.gz RGQSQLGNIRFEIK-LLVKDONJSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOCCSC ZINC000907895531 638502457 /nfs/dbraw/zinc/50/24/57/638502457.db2.gz PCKFQFZJHHJHJX-UHFFFAOYSA-N 1 0 232.349 0.905 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(C)(C#N)C1 ZINC000907923665 638512603 /nfs/dbraw/zinc/51/26/03/638512603.db2.gz FTGMCQJOMGKCAV-UHFFFAOYSA-N 1 0 221.304 0.866 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000907980441 638534910 /nfs/dbraw/zinc/53/49/10/638534910.db2.gz WECOKOVARLYKJO-OLZOCXBDSA-N 1 0 245.326 0.989 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](CO)C(C)C ZINC000908193706 638599598 /nfs/dbraw/zinc/59/95/98/638599598.db2.gz XVTRVMHZXOEQBC-GFCCVEGCSA-N 1 0 242.363 0.875 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](C)OC1=O ZINC000908208107 638611833 /nfs/dbraw/zinc/61/18/33/638611833.db2.gz MQDILGFFJXCHJN-ZJUUUORDSA-N 1 0 240.303 0.315 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@]1(C)CCOC1=O ZINC000908294166 638645745 /nfs/dbraw/zinc/64/57/45/638645745.db2.gz YWMXMDJPDIKJAW-LBPRGKRZSA-N 1 0 240.303 0.316 20 30 BCEDRO N#CC1CN(C(=O)[C@H]2CC[C@@H]3CCCC[N@H+]23)C1 ZINC000908398561 638693763 /nfs/dbraw/zinc/69/37/63/638693763.db2.gz HHZLNDYGBSZBER-NWDGAFQWSA-N 1 0 233.315 0.985 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)[C@@H](O)CC ZINC000908436913 638713905 /nfs/dbraw/zinc/71/39/05/638713905.db2.gz ZOEHVDHBTRDPKP-RYUDHWBXSA-N 1 0 240.347 0.465 20 30 BCEDRO C=C(C)CCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908928907 639102936 /nfs/dbraw/zinc/10/29/36/639102936.db2.gz IQHONMJGSABRBG-PWSUYJOCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(C)(CO)C1 ZINC000909042400 639124831 /nfs/dbraw/zinc/12/48/31/639124831.db2.gz TVDALUKLTXPEGO-UHFFFAOYSA-N 1 0 226.320 0.335 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CC)[C@H](C)O ZINC000909025910 639127833 /nfs/dbraw/zinc/12/78/33/639127833.db2.gz NGXAMMFHSWOSQH-QWRGUYRKSA-N 1 0 228.336 0.770 20 30 BCEDRO CCC[N@@H+]1CCC[C@H](C(=O)N[C@@H](C#N)CO)C1 ZINC000909306234 639201515 /nfs/dbraw/zinc/20/15/15/639201515.db2.gz QZONQFHFDCRDLW-QWRGUYRKSA-N 1 0 239.319 0.109 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[N@@H+](CC)C[C@@H]1C ZINC000910270112 639400058 /nfs/dbraw/zinc/40/00/58/639400058.db2.gz KAERRKUNAMCYNK-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1nccn1C ZINC000910453344 639454558 /nfs/dbraw/zinc/45/45/58/639454558.db2.gz PHZUMBUBAXUKAS-UHFFFAOYSA-N 1 0 222.292 0.867 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](O)CC[C@H]1C ZINC000911190463 639592208 /nfs/dbraw/zinc/59/22/08/639592208.db2.gz GIYZYVKJICVVHL-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO COC1(C)CC[NH+](C[C@H](O)CC#N)CC1 ZINC000930234109 639643626 /nfs/dbraw/zinc/64/36/26/639643626.db2.gz DJHWINNBFGJBJX-SNVBAGLBSA-N 1 0 212.293 0.762 20 30 BCEDRO CCCC[N@H+](CCCO)C[C@H](O)CC#N ZINC000930237807 639645857 /nfs/dbraw/zinc/64/58/57/639645857.db2.gz XNIYRWPSJLGVFL-LLVKDONJSA-N 1 0 214.309 0.745 20 30 BCEDRO COC(=O)[C@]1(C)CCCN1C[C@H](O)CC#N ZINC000930259940 639666878 /nfs/dbraw/zinc/66/68/78/639666878.db2.gz FUYCVDDZBRCKOH-KOLCDFICSA-N 1 0 226.276 0.288 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000911598919 639671503 /nfs/dbraw/zinc/67/15/03/639671503.db2.gz GHRNBLPYQIFTHN-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C[C@@H]1CN(C[C@H](O)CC#N)C[C@H](C2CC2)O1 ZINC000930268468 639672704 /nfs/dbraw/zinc/67/27/04/639672704.db2.gz BJYFVXZBDRHDPT-YUSALJHKSA-N 1 0 224.304 0.760 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CO)CC#CC ZINC000911606370 639675053 /nfs/dbraw/zinc/67/50/53/639675053.db2.gz NIXGHPJROVRUBN-GFCCVEGCSA-N 1 0 238.331 0.385 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC([NH3+])CC1 ZINC000911623786 639685708 /nfs/dbraw/zinc/68/57/08/639685708.db2.gz FYROWWBLYPLUIP-RYUDHWBXSA-N 1 0 238.331 0.917 20 30 BCEDRO Cc1cc(C#N)cc(C)c1CC(=O)NCC[NH3+] ZINC000911630466 639691714 /nfs/dbraw/zinc/69/17/14/639691714.db2.gz WQZMUDAMPSHYMW-UHFFFAOYSA-N 1 0 231.299 0.793 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCCC[NH3+] ZINC000911647671 639702205 /nfs/dbraw/zinc/70/22/05/639702205.db2.gz GYPBBWQNMGPGNZ-UWVGGRQHSA-N 1 0 212.293 0.433 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC1([NH3+])CCCCC1 ZINC000911651189 639707227 /nfs/dbraw/zinc/70/72/27/639707227.db2.gz COOIDCZPFZRYSF-LLVKDONJSA-N 1 0 226.320 0.701 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Nc1cccnn1 ZINC000930346650 639717853 /nfs/dbraw/zinc/71/78/53/639717853.db2.gz HPRHONYVFHJYIO-UHFFFAOYSA-N 1 0 247.302 0.553 20 30 BCEDRO C#CCNCC(=O)Nc1ccccc1C[NH2+]C ZINC000911686071 639726262 /nfs/dbraw/zinc/72/62/62/639726262.db2.gz YCJAWBIFVYHJKY-UHFFFAOYSA-N 1 0 231.299 0.567 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCCC[NH2+]CC ZINC000911686966 639726353 /nfs/dbraw/zinc/72/63/53/639726353.db2.gz AFLFZTNWULEGPL-SNVBAGLBSA-N 1 0 200.282 0.039 20 30 BCEDRO C#CCNCC(=O)Nc1cccc(C[NH2+]C)c1 ZINC000911687887 639726823 /nfs/dbraw/zinc/72/68/23/639726823.db2.gz JCIANRCZUFDSDV-UHFFFAOYSA-N 1 0 231.299 0.567 20 30 BCEDRO CCOC[C@H]([NH2+]C[C@H](O)CC#N)C(C)C ZINC000930434406 639752922 /nfs/dbraw/zinc/75/29/22/639752922.db2.gz AATSLHVBGZDGOW-MNOVXSKESA-N 1 0 214.309 0.912 20 30 BCEDRO C[C@H]1CSC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000930455253 639759281 /nfs/dbraw/zinc/75/92/81/639759281.db2.gz JKPYDSQMRMLFLL-DJLDLDEBSA-N 1 0 200.307 0.602 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911707660 639759988 /nfs/dbraw/zinc/75/99/88/639759988.db2.gz PGGJVUKBCMVBEV-ONGXEEELSA-N 1 0 212.293 0.121 20 30 BCEDRO CCC[C@@]1([NH2+]C[C@H](O)CC#N)CCOC1 ZINC000930460607 639762749 /nfs/dbraw/zinc/76/27/49/639762749.db2.gz LSAQGGSRHGWNBT-GHMZBOCLSA-N 1 0 212.293 0.810 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH2+]C1CC1 ZINC000911754868 639783765 /nfs/dbraw/zinc/78/37/65/639783765.db2.gz PSURVEJDKORKRB-RYUDHWBXSA-N 1 0 238.331 0.836 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)CC1CCC(C#N)CC1 ZINC000930510213 639792988 /nfs/dbraw/zinc/79/29/88/639792988.db2.gz PSOPSLXVIAFBSB-HIFPTAJRSA-N 1 0 240.347 0.991 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000911777343 639798911 /nfs/dbraw/zinc/79/89/11/639798911.db2.gz JUXHMGLHBXORIM-GFCCVEGCSA-N 1 0 226.320 0.381 20 30 BCEDRO COc1cc(C#N)ccc1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000911813788 639801970 /nfs/dbraw/zinc/80/19/70/639801970.db2.gz ONFOCCDBFSENMT-VIFPVBQESA-N 1 0 247.298 0.986 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000911797094 639808491 /nfs/dbraw/zinc/80/84/91/639808491.db2.gz RDNTYLBILGCWDE-NGZCFLSTSA-N 1 0 212.293 0.132 20 30 BCEDRO CCOCC(C)(C)[NH2+]C[C@H](O)CC#N ZINC000930578450 639813138 /nfs/dbraw/zinc/81/31/38/639813138.db2.gz UAKFWJIKNDRFMM-SECBINFHSA-N 1 0 200.282 0.666 20 30 BCEDRO C[C@@H]1CN(C[C@H](O)CC#N)CC[N@@H+](C2CC2)C1 ZINC000930590818 639815189 /nfs/dbraw/zinc/81/51/89/639815189.db2.gz WFFQNKRFELDWPF-DGCLKSJQSA-N 1 0 237.347 0.677 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000930602056 639816266 /nfs/dbraw/zinc/81/62/66/639816266.db2.gz XXQUVUACVPJJSJ-VXGBXAGGSA-N 1 0 241.331 0.280 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1cccnn1 ZINC000930600472 639816738 /nfs/dbraw/zinc/81/67/38/639816738.db2.gz JQOLLUFMTPIAQO-LBPRGKRZSA-N 1 0 232.287 0.807 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@@H]1CCN(OC)C1=O ZINC000930602073 639817270 /nfs/dbraw/zinc/81/72/70/639817270.db2.gz YJYRTHWCTFSDCQ-KOLCDFICSA-N 1 0 210.277 0.540 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@H]1CCC[C@@H]1O ZINC000930622504 639826711 /nfs/dbraw/zinc/82/67/11/639826711.db2.gz GZQXKJDMCXLAFT-LPWJVIDDSA-N 1 0 238.331 0.886 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000930629790 639832069 /nfs/dbraw/zinc/83/20/69/639832069.db2.gz GMMKQRSWLNSHDR-DDHJBXDOSA-N 1 0 236.315 0.808 20 30 BCEDRO CO[C@H]1CC[N@H+](C[C@H](O)CC#N)C[C@@H]1C ZINC000930637769 639836100 /nfs/dbraw/zinc/83/61/00/639836100.db2.gz MOWQAXNWUSKOJH-AXFHLTTASA-N 1 0 212.293 0.618 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC[N+](=O)[O-] ZINC000930645840 639843640 /nfs/dbraw/zinc/84/36/40/639843640.db2.gz GDPPVPLUMMBJSB-BDAKNGLRSA-N 1 0 200.238 0.586 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000911818730 639850725 /nfs/dbraw/zinc/85/07/25/639850725.db2.gz AXSYIPHLRMZJLH-NHCYSSNCSA-N 1 0 226.320 0.509 20 30 BCEDRO CON1CCC([N@H+](C)C[C@H](O)CC#N)CC1 ZINC000930684797 639860416 /nfs/dbraw/zinc/86/04/16/639860416.db2.gz AMVYUXFMOPISCR-LLVKDONJSA-N 1 0 227.308 0.219 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930693418 639863910 /nfs/dbraw/zinc/86/39/10/639863910.db2.gz NHNXSYPROXAKSV-WOPDTQHZSA-N 1 0 242.319 0.171 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000930693460 639865207 /nfs/dbraw/zinc/86/52/07/639865207.db2.gz OIRQPCWTCVPLBZ-GHMZBOCLSA-N 1 0 226.320 0.934 20 30 BCEDRO CO[C@H]1C[C@H]([NH2+]C[C@H](O)CC#N)C12CCC2 ZINC000930700921 639866656 /nfs/dbraw/zinc/86/66/56/639866656.db2.gz XTRNYNGBRVWULS-VWYCJHECSA-N 1 0 224.304 0.808 20 30 BCEDRO COCC[N@@H+]1CC[C@H](Nc2ccnc(C#N)c2)C1 ZINC000911882544 639866772 /nfs/dbraw/zinc/86/67/72/639866772.db2.gz IFWBNUQUONJIRS-LBPRGKRZSA-N 1 0 246.314 0.508 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000930716192 639874987 /nfs/dbraw/zinc/87/49/87/639874987.db2.gz NABDCNDRTIZJDZ-WDEREUQCSA-N 1 0 226.320 0.334 20 30 BCEDRO C=CCN(CC=C)C(=O)C[C@@]1(O)CCC[NH2+]C1 ZINC000911919140 639877522 /nfs/dbraw/zinc/87/75/22/639877522.db2.gz KEOSPFPRBPMWMI-ZDUSSCGKSA-N 1 0 238.331 0.692 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000930721149 639877774 /nfs/dbraw/zinc/87/77/74/639877774.db2.gz WSONAAHAOIJSMH-GRYCIOLGSA-N 1 0 229.320 0.301 20 30 BCEDRO C=CCNC(=O)[C@@H]1CC[NH2+][C@@H]([C@@H]2CCCO2)C1 ZINC000911925934 639883037 /nfs/dbraw/zinc/88/30/37/639883037.db2.gz MBRKFBUUWMWKMN-UTUOFQBUSA-N 1 0 238.331 0.836 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000930816471 639918433 /nfs/dbraw/zinc/91/84/33/639918433.db2.gz LZQQTFQJUHNLHP-NWDGAFQWSA-N 1 0 236.315 0.884 20 30 BCEDRO C#CC1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000930820935 639922819 /nfs/dbraw/zinc/92/28/19/639922819.db2.gz IKJPIBDIFFSOFA-LBPRGKRZSA-N 1 0 223.316 0.608 20 30 BCEDRO N#Cc1cncc(C[NH+]2[C@H](CO)CC[C@H]2CO)c1 ZINC000930903076 639979089 /nfs/dbraw/zinc/97/90/89/639979089.db2.gz ZLTYERNBJRIOKY-STQMWFEESA-N 1 0 247.298 0.271 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCO[C@@H](C)C1 ZINC000912168738 639986026 /nfs/dbraw/zinc/98/60/26/639986026.db2.gz LEYRVKDZKAAHEZ-WDEREUQCSA-N 1 0 226.320 0.917 20 30 BCEDRO N#Cc1cc(=[NH+]C2(CCO)CC2)cc[nH]1 ZINC000912168120 639986228 /nfs/dbraw/zinc/98/62/28/639986228.db2.gz CCCLMVDQDJIBNE-UHFFFAOYSA-N 1 0 203.245 0.702 20 30 BCEDRO C#CCN(C[C@H](O)C1(O)CCC1)C1CSC1 ZINC000930959652 639998433 /nfs/dbraw/zinc/99/84/33/639998433.db2.gz BKQKSUCVDRRZFT-NSHDSACASA-N 1 0 241.356 0.313 20 30 BCEDRO C[C@@]12COC[C@H]1C[N@H+](C[C@H](O)CC#N)C2 ZINC000931015072 640018206 /nfs/dbraw/zinc/01/82/06/640018206.db2.gz MGKDEORXYILPQE-GMTAPVOTSA-N 1 0 210.277 0.229 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000931020350 640023014 /nfs/dbraw/zinc/02/30/14/640023014.db2.gz BHKFOTKUPUGAKG-BBBLOLIVSA-N 1 0 210.277 0.154 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931047357 640042275 /nfs/dbraw/zinc/04/22/75/640042275.db2.gz OSKOYPUCGYBNRK-GHMZBOCLSA-N 1 0 225.336 0.313 20 30 BCEDRO C#CCN(C(=O)C[NH+](CC)CC)C1CSC1 ZINC000912367015 640043448 /nfs/dbraw/zinc/04/34/48/640043448.db2.gz NHPMYIURDUTPNU-UHFFFAOYSA-N 1 0 240.372 0.905 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912374403 640044627 /nfs/dbraw/zinc/04/46/27/640044627.db2.gz NNLWYCMGFILXNP-PWSUYJOCSA-N 1 0 224.304 0.134 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCCCNC(C)=O ZINC000931066475 640052913 /nfs/dbraw/zinc/05/29/13/640052913.db2.gz FGYUHUKLZRCUFB-LLVKDONJSA-N 1 0 214.309 0.429 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000931068311 640056006 /nfs/dbraw/zinc/05/60/06/640056006.db2.gz YPGGZBYGUOFWDL-GHMZBOCLSA-N 1 0 229.320 0.179 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCc1nnc(C)o1 ZINC000931070225 640056172 /nfs/dbraw/zinc/05/61/72/640056172.db2.gz BLUPUIKQBBXBMO-UHFFFAOYSA-N 1 0 237.303 0.892 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CCC2(COC2)O1 ZINC000931067744 640056255 /nfs/dbraw/zinc/05/62/55/640056255.db2.gz SBDMIJRLFHKQMH-ZJUUUORDSA-N 1 0 213.277 0.071 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CCF)CCOC ZINC000912411333 640057141 /nfs/dbraw/zinc/05/71/41/640057141.db2.gz PSHYMUIKWFNEKV-UHFFFAOYSA-N 1 0 246.326 0.939 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@@H](O)C1(O)CCC1 ZINC000931070901 640057706 /nfs/dbraw/zinc/05/77/06/640057706.db2.gz LJOCNUPLRAWQIE-GFCCVEGCSA-N 1 0 241.331 0.234 20 30 BCEDRO C#CCC[N@H+](CCOC)CCO[C@H]1CCOC1 ZINC000931070920 640057763 /nfs/dbraw/zinc/05/77/63/640057763.db2.gz LYPWBUVGFWTMGM-ZDUSSCGKSA-N 1 0 241.331 0.764 20 30 BCEDRO C#CCC[N@H+](CCOC)CCO[C@@H]1CCOC1 ZINC000931070918 640057792 /nfs/dbraw/zinc/05/77/92/640057792.db2.gz LYPWBUVGFWTMGM-CYBMUJFWSA-N 1 0 241.331 0.764 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccc2c(c1)CCO2 ZINC000912442312 640061732 /nfs/dbraw/zinc/06/17/32/640061732.db2.gz IWJRWGIXHVLJFL-UHFFFAOYSA-N 1 0 244.294 0.461 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2ccnc(N)c2)CC1 ZINC000931150761 640078892 /nfs/dbraw/zinc/07/88/92/640078892.db2.gz INQRRAARODXLAJ-UHFFFAOYSA-N 1 0 231.299 0.624 20 30 BCEDRO C#CC1(O)CC[NH+](CCc2cnn(CC)c2)CC1 ZINC000931151656 640080541 /nfs/dbraw/zinc/08/05/41/640080541.db2.gz ZRWYFTSUBDEIHG-UHFFFAOYSA-N 1 0 247.342 0.906 20 30 BCEDRO C[C@@H](CC#N)NC(=O)COC1CC[NH+](C)CC1 ZINC000931158531 640081930 /nfs/dbraw/zinc/08/19/30/640081930.db2.gz ZYPMXEQWOULDDS-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCOCC[N@H+]1CCNC(=O)CC1(C)C ZINC000931202837 640101729 /nfs/dbraw/zinc/10/17/29/640101729.db2.gz KDRMXCIRGSAJOX-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO N#CC[C@@H](O)CN1CCO[C@H](CCF)C1 ZINC000931258633 640115874 /nfs/dbraw/zinc/11/58/74/640115874.db2.gz FENSFUKNDWKLNQ-NXEZZACHSA-N 1 0 216.256 0.321 20 30 BCEDRO COCC#CCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931311313 640145946 /nfs/dbraw/zinc/14/59/46/640145946.db2.gz LVAXHBSPHGOTFM-ZIAGYGMSSA-N 1 0 236.359 0.910 20 30 BCEDRO COCC#CCN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000931311311 640147928 /nfs/dbraw/zinc/14/79/28/640147928.db2.gz LVAXHBSPHGOTFM-KBPBESRZSA-N 1 0 236.359 0.910 20 30 BCEDRO C#CCOCCN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000931313372 640149592 /nfs/dbraw/zinc/14/95/92/640149592.db2.gz AYNPCIGKMRJIET-OKILXGFUSA-N 1 0 236.359 0.910 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000912716483 640175743 /nfs/dbraw/zinc/17/57/43/640175743.db2.gz HYPHGWWJYUXYRK-UTUOFQBUSA-N 1 0 238.331 0.666 20 30 BCEDRO CCC#C[C@H](C)N1CC[N@H+](C)[C@@H](CO)C1 ZINC000931403543 640182841 /nfs/dbraw/zinc/18/28/41/640182841.db2.gz MUZGYVGUMWHUGQ-NWDGAFQWSA-N 1 0 210.321 0.397 20 30 BCEDRO C=C(C)C[NH+]1CCC(N2C(=O)CNC2=O)CC1 ZINC000348873859 640210028 /nfs/dbraw/zinc/21/00/28/640210028.db2.gz CXPYLHIIBHXXBJ-UHFFFAOYSA-N 1 0 237.303 0.579 20 30 BCEDRO N#CCCCC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912908451 640232633 /nfs/dbraw/zinc/23/26/33/640232633.db2.gz SZRGLQQZEBUMKC-NSHDSACASA-N 1 0 221.304 0.987 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912906971 640234216 /nfs/dbraw/zinc/23/42/16/640234216.db2.gz CPSGNVMIAFPGAS-AAEUAGOBSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCN1CC[NH+](CCCCCO)CC1 ZINC000931500511 640237325 /nfs/dbraw/zinc/23/73/25/640237325.db2.gz NUYUBFPNFBBYFP-UHFFFAOYSA-N 1 0 212.337 0.953 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912919459 640242189 /nfs/dbraw/zinc/24/21/89/640242189.db2.gz LLPJEVBUBXPLON-GFCCVEGCSA-N 1 0 238.331 0.886 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912917931 640243447 /nfs/dbraw/zinc/24/34/47/640243447.db2.gz QPONRZCKWLIOGD-LLVKDONJSA-N 1 0 224.304 0.496 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912903126 640244904 /nfs/dbraw/zinc/24/49/04/640244904.db2.gz JAAGFRKLYBLSJL-NWDGAFQWSA-N 1 0 236.315 0.331 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912904074 640248689 /nfs/dbraw/zinc/24/86/89/640248689.db2.gz VPHSPVRKIHFSLH-MNOVXSKESA-N 1 0 221.304 0.843 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)c1cccnc1 ZINC000913024064 640279688 /nfs/dbraw/zinc/27/96/88/640279688.db2.gz RHLDPEBXQYEXKP-GFCCVEGCSA-N 1 0 249.314 0.349 20 30 BCEDRO Cc1nc(N2CC[NH+](CCCCC#N)CC2)n[nH]1 ZINC000931624743 640294730 /nfs/dbraw/zinc/29/47/30/640294730.db2.gz WTZSTISZSQJRGC-UHFFFAOYSA-N 1 0 248.334 0.929 20 30 BCEDRO CC#CCN1CCN(c2n[nH]c(C)n2)CC1 ZINC000931627076 640298100 /nfs/dbraw/zinc/29/81/00/640298100.db2.gz XIJHGHICZMPYCE-UHFFFAOYSA-N 1 0 219.292 0.258 20 30 BCEDRO C=CCOCC[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931634058 640300448 /nfs/dbraw/zinc/30/04/48/640300448.db2.gz LSZJMVCSILIUCS-NSHDSACASA-N 1 0 245.319 0.245 20 30 BCEDRO CCC#C[C@@H](C)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931651771 640301577 /nfs/dbraw/zinc/30/15/77/640301577.db2.gz ARTATRNUOKJWTQ-ZJUUUORDSA-N 1 0 208.305 0.903 20 30 BCEDRO C[C@@H](CCC#N)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931655187 640305211 /nfs/dbraw/zinc/30/52/11/640305211.db2.gz WJLMZLVKGPUXAV-IUCAKERBSA-N 1 0 209.293 0.793 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@H]1COCCC1(OC)OC ZINC000931673687 640309554 /nfs/dbraw/zinc/30/95/54/640309554.db2.gz UDSUHSMZDPEMIG-MNOVXSKESA-N 1 0 245.319 0.291 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000931715524 640334754 /nfs/dbraw/zinc/33/47/54/640334754.db2.gz WZLMJDQOROTJKY-RYUDHWBXSA-N 1 0 223.316 0.608 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000931714855 640335040 /nfs/dbraw/zinc/33/50/40/640335040.db2.gz LCLBIARNEOJCGZ-QWRGUYRKSA-N 1 0 222.288 0.494 20 30 BCEDRO C[C@]1(CNC(=[NH2+])NC[C@H]2CCCO2)CCCO1 ZINC000151191524 640339806 /nfs/dbraw/zinc/33/98/06/640339806.db2.gz NFXZYDAMMSZOEA-ZYHUDNBSSA-N 1 0 241.335 0.639 20 30 BCEDRO CON=CC(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913279728 640345010 /nfs/dbraw/zinc/34/50/10/640345010.db2.gz WMBBAPSFXJOPLR-RYUDHWBXSA-N 1 0 239.319 0.419 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000931747528 640347199 /nfs/dbraw/zinc/34/71/99/640347199.db2.gz RXSSEIJVYSOZHF-IJLUTSLNSA-N 1 0 224.304 0.498 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@]1(C)CCCO1 ZINC000151239502 640347543 /nfs/dbraw/zinc/34/75/43/640347543.db2.gz FXABNXNAAFNCTL-KOLCDFICSA-N 1 0 229.324 0.495 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913276647 640347755 /nfs/dbraw/zinc/34/77/55/640347755.db2.gz JYWGKFOPWHKJKM-WCFLWFBJSA-N 1 0 238.331 0.334 20 30 BCEDRO CC[C@H](C)[C@@H](O)C(=O)NCC#CC[NH+](C)C ZINC000913520645 640382723 /nfs/dbraw/zinc/38/27/23/640382723.db2.gz WCFRLKBXURTOSQ-WDEREUQCSA-N 1 0 226.320 0.075 20 30 BCEDRO CO[C@H](CC(C)C)C(=O)NCC#CC[NH+](C)C ZINC000913523377 640379414 /nfs/dbraw/zinc/37/94/14/640379414.db2.gz YBRQBLWDTZJFPA-GFCCVEGCSA-N 1 0 240.347 0.729 20 30 BCEDRO COCCC[C@@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913520433 640381636 /nfs/dbraw/zinc/38/16/36/640381636.db2.gz OZKORAWCGAWIHB-GFCCVEGCSA-N 1 0 240.347 0.730 20 30 BCEDRO CC1=C(C(=O)NCC#CC[NH+](C)C)CCCO1 ZINC000913520304 640381892 /nfs/dbraw/zinc/38/18/92/640381892.db2.gz MLRZXQNIUAHUEY-UHFFFAOYSA-N 1 0 236.315 0.752 20 30 BCEDRO Cc1nscc1C(=O)NCC#CC[NH+](C)C ZINC000913520154 640382501 /nfs/dbraw/zinc/38/25/01/640382501.db2.gz FWIXKBMVANUWCO-UHFFFAOYSA-N 1 0 237.328 0.746 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)CCC(C)(C)O ZINC000913521425 640383109 /nfs/dbraw/zinc/38/31/09/640383109.db2.gz YTMFHMKZEOXYCH-UHFFFAOYSA-N 1 0 226.320 0.219 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1ccc(C#N)cn1 ZINC000932110755 640429394 /nfs/dbraw/zinc/42/93/94/640429394.db2.gz JRBHWHQELRVSLA-JTQLQIEISA-N 1 0 245.286 0.779 20 30 BCEDRO C=C(Cl)CNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000164175794 640455760 /nfs/dbraw/zinc/45/57/60/640455760.db2.gz MUSHYNVCMUIADO-MRVPVSSYSA-N 1 0 202.685 0.983 20 30 BCEDRO C#CC[N@@H+](CCN1C(=O)CN(C)C1=O)C(C)C ZINC000932384558 640513730 /nfs/dbraw/zinc/51/37/30/640513730.db2.gz UCDWHJVTTXQZNH-UHFFFAOYSA-N 1 0 237.303 0.224 20 30 BCEDRO C#CC[N@@H+](CCCS(=O)(=O)N(C)C)C(C)C ZINC000932392675 640521010 /nfs/dbraw/zinc/52/10/10/640521010.db2.gz OGPKQFZBGDHXRM-UHFFFAOYSA-N 1 0 246.376 0.612 20 30 BCEDRO C[C@@H]1COC[C@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000932488634 640554864 /nfs/dbraw/zinc/55/48/64/640554864.db2.gz MXKUJEXGDURCNS-GMTAPVOTSA-N 1 0 226.320 0.912 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H]1COC[C@H]1C ZINC000932497609 640558549 /nfs/dbraw/zinc/55/85/49/640558549.db2.gz LHXUZCMWPOGVIU-VXGBXAGGSA-N 1 0 238.331 0.812 20 30 BCEDRO C=C(C)CN1CC(NC(=O)c2cnn(C)c2)C1 ZINC001030089097 640587378 /nfs/dbraw/zinc/58/73/78/640587378.db2.gz CPPLBAIBJLHSGB-UHFFFAOYSA-N 1 0 234.303 0.410 20 30 BCEDRO CCOC(=O)[C@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000932640380 640593530 /nfs/dbraw/zinc/59/35/30/640593530.db2.gz XRPIBRZRTOTBDI-QWRGUYRKSA-N 1 0 240.303 0.800 20 30 BCEDRO C#CCC[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932759418 640608316 /nfs/dbraw/zinc/60/83/16/640608316.db2.gz RDLSOQIDOQDAMQ-UHFFFAOYSA-N 1 0 222.288 0.974 20 30 BCEDRO C#CC[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932785451 640610446 /nfs/dbraw/zinc/61/04/46/640610446.db2.gz VBFUMPOGFJDFTI-SNVBAGLBSA-N 1 0 208.261 0.440 20 30 BCEDRO C=CCC[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000932834079 640614782 /nfs/dbraw/zinc/61/47/82/640614782.db2.gz ZERBQAREIHMZLX-NSHDSACASA-N 1 0 238.331 0.526 20 30 BCEDRO C=CCCN1CC(NC(=O)c2ccnn2C)C1 ZINC001030145622 640631390 /nfs/dbraw/zinc/63/13/90/640631390.db2.gz DOAPMNUOEBNGJQ-UHFFFAOYSA-N 1 0 234.303 0.410 20 30 BCEDRO C#CCCN1CC(NC(=O)c2ccnc(F)c2)C1 ZINC001030147545 640634107 /nfs/dbraw/zinc/63/41/07/640634107.db2.gz LZTIGVMRGQPTDB-UHFFFAOYSA-N 1 0 247.273 0.658 20 30 BCEDRO CC[C@@H]1C(=O)NCCC[N@H+]1CCO[C@@H](C)C#N ZINC000933217276 640681665 /nfs/dbraw/zinc/68/16/65/640681665.db2.gz YKOAFUVEIBFTJS-WDEREUQCSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1(CC#C)CCC1 ZINC000933296936 640696420 /nfs/dbraw/zinc/69/64/20/640696420.db2.gz SDAXAPSCHXHCCO-UHFFFAOYSA-N 1 0 218.300 0.662 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1C(=O)NCC1(CC)CC ZINC000933283667 640697800 /nfs/dbraw/zinc/69/78/00/640697800.db2.gz KTPDKMYTTUXZKA-LLVKDONJSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCC1([NH2+]Cc2nnc3n2CCOC3)CCC1 ZINC000933295238 640700863 /nfs/dbraw/zinc/70/08/63/640700863.db2.gz RWTRCUXJJBHLCH-UHFFFAOYSA-N 1 0 246.314 0.844 20 30 BCEDRO C#CCC1([NH2+]CCc2cn(C)nn2)CCC1 ZINC000933296040 640701513 /nfs/dbraw/zinc/70/15/13/640701513.db2.gz ZMANORFNSJMIKB-UHFFFAOYSA-N 1 0 218.304 0.893 20 30 BCEDRO C#CCC1([NH2+]CC(=O)N2CCNC2=O)CCC1 ZINC000933304826 640702164 /nfs/dbraw/zinc/70/21/64/640702164.db2.gz SJVBRXLLCPCCDR-UHFFFAOYSA-N 1 0 235.287 0.074 20 30 BCEDRO C=CCC[C@@H](O)CN1CCOC[C@H]1COC ZINC000933336289 640706215 /nfs/dbraw/zinc/70/62/15/640706215.db2.gz PDHYJMPEIAHPFA-VXGBXAGGSA-N 1 0 229.320 0.661 20 30 BCEDRO C#CCC[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933581918 640728119 /nfs/dbraw/zinc/72/81/19/640728119.db2.gz UBAJERHSUCREMM-UHFFFAOYSA-N 1 0 235.331 0.747 20 30 BCEDRO C[C@@H](O)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933647400 640737494 /nfs/dbraw/zinc/73/74/94/640737494.db2.gz DZBZAFGGHKEHEN-SNVBAGLBSA-N 1 0 225.288 0.705 20 30 BCEDRO C=CCN1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933725727 640755144 /nfs/dbraw/zinc/75/51/44/640755144.db2.gz FRDDAISJBNPPSE-DTORHVGOSA-N 1 0 201.291 0.149 20 30 BCEDRO C[C@@H](CCC#N)N1CCN(C)CC[N@H+](C)CC1 ZINC000933992341 640800940 /nfs/dbraw/zinc/80/09/40/640800940.db2.gz LVJAKFDBZLTXGS-ZDUSSCGKSA-N 1 0 238.379 0.858 20 30 BCEDRO CC#CCN1CC(NC(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001030533151 640900467 /nfs/dbraw/zinc/90/04/67/640900467.db2.gz GSNCBYPZICLLNJ-CYBMUJFWSA-N 1 0 249.358 0.294 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)C[NH+](C)C ZINC000170769728 640922339 /nfs/dbraw/zinc/92/23/39/640922339.db2.gz ALCXYOYBBFWJNO-UHFFFAOYSA-N 1 0 228.292 0.126 20 30 BCEDRO CCCCNC(=[NH2+])NCCCNC(C)=O ZINC000170904908 640935264 /nfs/dbraw/zinc/93/52/64/640935264.db2.gz VELYXKBRBPXUAA-UHFFFAOYSA-N 1 0 214.313 0.217 20 30 BCEDRO CNC(=O)CNC(=[NH2+])N[C@@H](C)CCCC(C)C ZINC000170907042 640936116 /nfs/dbraw/zinc/93/61/16/640936116.db2.gz ZKANCEOEPFIACH-JTQLQIEISA-N 1 0 242.367 0.852 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCOC1CCCC1 ZINC000170908366 640937309 /nfs/dbraw/zinc/93/73/09/640937309.db2.gz ASSLDGJFFYZIEO-SNVBAGLBSA-N 1 0 243.351 0.885 20 30 BCEDRO [NH2+]=C(NCCn1cccn1)Nc1ccccn1 ZINC000170908986 640937391 /nfs/dbraw/zinc/93/73/91/640937391.db2.gz MGTMFKNOBSUTLO-UHFFFAOYSA-N 1 0 230.275 0.705 20 30 BCEDRO CCOCCCNC(=[NH2+])NC[C@@](C)(O)CC ZINC000170912692 640937561 /nfs/dbraw/zinc/93/75/61/640937561.db2.gz FODGIETUUFFMPF-NSHDSACASA-N 1 0 231.340 0.478 20 30 BCEDRO COCCCC[NH+]=C(N(C)C)N(C)C ZINC000170913811 640938332 /nfs/dbraw/zinc/93/83/32/640938332.db2.gz XFDFHGWZAWMLPF-UHFFFAOYSA-N 1 0 201.314 0.892 20 30 BCEDRO CN(C)C(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000170914261 640938540 /nfs/dbraw/zinc/93/85/40/640938540.db2.gz YQAFBEYNCIAILL-UHFFFAOYSA-N 1 0 214.313 0.025 20 30 BCEDRO C=C[C@@H](C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000229247039 640941362 /nfs/dbraw/zinc/94/13/62/640941362.db2.gz VFAGNHNHKNZQJB-RKDXNWHRSA-N 1 0 218.322 0.232 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H](C)C(C)C ZINC000172549938 641070647 /nfs/dbraw/zinc/07/06/47/641070647.db2.gz XOBPJSDYKNMENP-SECBINFHSA-N 1 0 201.314 0.829 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CC[C@H]2OC)C1=O ZINC000934109581 641074852 /nfs/dbraw/zinc/07/48/52/641074852.db2.gz AXYIUTCZUZVFII-GRYCIOLGSA-N 1 0 238.331 0.883 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCCCCNC(=O)CC1 ZINC000934155078 641093555 /nfs/dbraw/zinc/09/35/55/641093555.db2.gz TWRGYXKMBDTVRN-LLVKDONJSA-N 1 0 239.319 0.253 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cncs1 ZINC000934200592 641099003 /nfs/dbraw/zinc/09/90/03/641099003.db2.gz MHYWZLJQEXRFCZ-BDAKNGLRSA-N 1 0 237.328 0.932 20 30 BCEDRO C=CCCC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934226317 641106629 /nfs/dbraw/zinc/10/66/29/641106629.db2.gz KTYMXIZNZAXDRG-LBPRGKRZSA-N 1 0 236.319 0.683 20 30 BCEDRO C#CCCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000172839408 641118244 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641755437 /nfs/dbraw/zinc/75/54/37/641755437.db2.gz VZNTVVBCTLPLBP-SECBINFHSA-N 1 0 215.366 0.977 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnon2)C[C@H]1C ZINC000947833175 641759795 /nfs/dbraw/zinc/75/97/95/641759795.db2.gz RIOFMIPCJKKZEG-NXEZZACHSA-N 1 0 248.286 0.286 20 30 BCEDRO CN(CCC#N)c1ccc(C=NNC(N)=[NH2+])cc1 ZINC000915050714 641793872 /nfs/dbraw/zinc/79/38/72/641793872.db2.gz HGQGBGUKLOUJPL-UHFFFAOYSA-N 1 0 244.302 0.853 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1nc2ccccc2n1C ZINC000915050891 641793910 /nfs/dbraw/zinc/79/39/10/641793910.db2.gz NFFKGZHBQMXHRX-UHFFFAOYSA-N 1 0 230.275 0.780 20 30 BCEDRO [NH2+]=C(NCCOCC(F)F)NC1CC1 ZINC000189573291 641811543 /nfs/dbraw/zinc/81/15/43/641811543.db2.gz CNNQCPWTMJBTPF-UHFFFAOYSA-N 1 0 207.224 0.335 20 30 BCEDRO CN(C)C(=[NH+]CCOCC(F)F)N(C)C ZINC000189576036 641812313 /nfs/dbraw/zinc/81/23/13/641812313.db2.gz PXLFQPVIZQDBEQ-UHFFFAOYSA-N 1 0 223.267 0.747 20 30 BCEDRO C=CC[N@H+]1CCC[C@H](NC(=O)c2nnc[nH]2)[C@H]1C ZINC000994016224 641880977 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642336141 /nfs/dbraw/zinc/33/61/41/642336141.db2.gz VCWJRWLARZNOAQ-UHFFFAOYSA-N 1 0 235.287 0.912 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cccc(=O)[nH]2)C1 ZINC001031600091 642361362 /nfs/dbraw/zinc/36/13/62/642361362.db2.gz FQCHYUCTVGKJML-UHFFFAOYSA-N 1 0 247.298 0.635 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccoc2)C1 ZINC001021833320 642393076 /nfs/dbraw/zinc/39/30/76/642393076.db2.gz XIEYBEUYTHVFKQ-PHIMTYICSA-N 1 0 218.256 0.763 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(OCCO)CC1 ZINC000930098842 642393129 /nfs/dbraw/zinc/39/31/29/642393129.db2.gz JPMSKNOGKDECJF-LBPRGKRZSA-N 1 0 229.320 0.397 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000971389687 642398199 /nfs/dbraw/zinc/39/81/99/642398199.db2.gz UKJGQGGRLIBLRH-CYBMUJFWSA-N 1 0 248.326 0.499 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2coc(C)n2)C1 ZINC001031627376 642406204 /nfs/dbraw/zinc/40/62/04/642406204.db2.gz JYYJSZBNZMAGPW-UHFFFAOYSA-N 1 0 235.287 0.831 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cncnc2C)C1 ZINC001021855233 642408182 /nfs/dbraw/zinc/40/81/82/642408182.db2.gz BEEQSKBHZPNGEK-PHIMTYICSA-N 1 0 246.314 0.821 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@@H]2OCC)C1 ZINC001021855734 642409117 /nfs/dbraw/zinc/40/91/17/642409117.db2.gz GJKKNTCCJAKXHG-USZNOCQGSA-N 1 0 238.331 0.834 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001021859213 642410117 /nfs/dbraw/zinc/41/01/17/642410117.db2.gz QVEDYFITLXFWHF-PHIMTYICSA-N 1 0 234.303 0.836 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001021860212 642411735 /nfs/dbraw/zinc/41/17/35/642411735.db2.gz LGAOTMRKFBFBRU-TUAOUCFPSA-N 1 0 236.315 0.426 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cnnc(C)c2)C1 ZINC001031634220 642418136 /nfs/dbraw/zinc/41/81/36/642418136.db2.gz PKYVYNDURVPJHC-UHFFFAOYSA-N 1 0 246.314 0.633 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001021872807 642418792 /nfs/dbraw/zinc/41/87/92/642418792.db2.gz WEBPDCPJJIKZEC-TXEJJXNPSA-N 1 0 246.314 0.062 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001021872287 642418819 /nfs/dbraw/zinc/41/88/19/642418819.db2.gz AKOQSWRXHKLYDV-TXEJJXNPSA-N 1 0 248.330 0.614 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC001021876689 642429445 /nfs/dbraw/zinc/42/94/45/642429445.db2.gz BLBZUGOCGBSUFC-PHIMTYICSA-N 1 0 246.314 0.212 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cn(C)nn2)C1 ZINC001031650029 642449230 /nfs/dbraw/zinc/44/92/30/642449230.db2.gz RQXFZWKWSXNATK-UHFFFAOYSA-N 1 0 249.318 0.053 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)nc2C)C1 ZINC001021905786 642452857 /nfs/dbraw/zinc/45/28/57/642452857.db2.gz WTAAAOIPCNZOMO-PHIMTYICSA-N 1 0 246.314 0.212 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001021917255 642459324 /nfs/dbraw/zinc/45/93/24/642459324.db2.gz VTOPBQKFWYZQSF-UTUOFQBUSA-N 1 0 238.331 0.836 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccncc2F)C1 ZINC001021922354 642459332 /nfs/dbraw/zinc/45/93/32/642459332.db2.gz SPBIAYSVAIBJQL-AOOOYVTPSA-N 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232.287 0.155 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cscn2)C1 ZINC000967677901 642803270 /nfs/dbraw/zinc/80/32/70/642803270.db2.gz FBRVZSMPFLNWPP-SECBINFHSA-N 1 0 235.312 0.580 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000968177799 642806133 /nfs/dbraw/zinc/80/61/33/642806133.db2.gz WFUNPUMTWGWKQH-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncccc2C)C1 ZINC000968355088 642807790 /nfs/dbraw/zinc/80/77/90/642807790.db2.gz RSCHRLFRBBODAU-GFCCVEGCSA-N 1 0 243.310 0.827 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CC(C)C2)C1 ZINC000968373209 642808936 /nfs/dbraw/zinc/80/89/36/642808936.db2.gz CRPJUOAEOFBLAI-HTAVTVPLSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC000968395185 642809688 /nfs/dbraw/zinc/80/96/88/642809688.db2.gz UWEVENQUJLVDMF-GFCCVEGCSA-N 1 0 247.273 0.658 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C)ncn2)C1 ZINC000968435044 642811000 /nfs/dbraw/zinc/81/10/00/642811000.db2.gz 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C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC000969661879 643207584 /nfs/dbraw/zinc/20/75/84/643207584.db2.gz YEZJQNTUWSLUIV-MROQNXINSA-N 1 0 232.327 0.856 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)COC)CC1(C)C ZINC000995275960 643213260 /nfs/dbraw/zinc/21/32/60/643213260.db2.gz FBTNZEFWEYZUJS-JTQLQIEISA-N 1 0 226.320 0.645 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2nccs2)C1 ZINC001032067063 643226960 /nfs/dbraw/zinc/22/69/60/643226960.db2.gz ARFOXVWQRPRYJQ-UHFFFAOYSA-N 1 0 237.328 0.991 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC001020625345 643241351 /nfs/dbraw/zinc/24/13/51/643241351.db2.gz CVDYNAIWODQHJJ-XYPYZODXSA-N 1 0 232.287 0.513 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001020633312 643245645 /nfs/dbraw/zinc/24/56/45/643245645.db2.gz FWPFEWZXFNOIIL-XYPYZODXSA-N 1 0 248.330 0.765 20 30 BCEDRO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2cn[nH]n2)C1 ZINC000970022977 643268274 /nfs/dbraw/zinc/26/82/74/643268274.db2.gz DPQPUSSFORAICU-SECBINFHSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)CSC)CC1(C)C ZINC000995413609 643270451 /nfs/dbraw/zinc/27/04/51/643270451.db2.gz DHQNDPDHUHRPMH-JTQLQIEISA-N 1 0 240.372 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000970032466 643271048 /nfs/dbraw/zinc/27/10/48/643271048.db2.gz PMZKUWBWEYSXKA-IJLUTSLNSA-N 1 0 236.315 0.378 20 30 BCEDRO C=CCC[NH+]1CC([C@H](C)NC(=O)c2cn[nH]n2)C1 ZINC000970034591 643271240 /nfs/dbraw/zinc/27/12/40/643271240.db2.gz HPGRDADAJZSIIZ-VIFPVBQESA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC000970085630 643284991 /nfs/dbraw/zinc/28/49/91/643284991.db2.gz LPTUKDGRUDSIDY-MNOVXSKESA-N 1 0 218.300 0.610 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001020776525 643293382 /nfs/dbraw/zinc/29/33/82/643293382.db2.gz GRNBNKLUERXIMJ-KYZUINATSA-N 1 0 235.291 0.231 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC001020795376 643294229 /nfs/dbraw/zinc/29/42/29/643294229.db2.gz BZZDUIRUTKMSTK-XYPYZODXSA-N 1 0 246.314 0.903 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCO[C@@H]2C)C1 ZINC001020824854 643310608 /nfs/dbraw/zinc/31/06/08/643310608.db2.gz HVILINQDHVAPSA-KKOKHZNYSA-N 1 0 238.331 0.834 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccon2)CC1(C)C ZINC000995522005 643325323 /nfs/dbraw/zinc/32/53/23/643325323.db2.gz OIYSSKBBNRHUEM-LLVKDONJSA-N 1 0 247.298 0.748 20 30 BCEDRO CC[NH2+][C@H]1CN(C(=O)[C@@H](C)C#N)CC1(C)C ZINC000995562421 643329048 /nfs/dbraw/zinc/32/90/48/643329048.db2.gz NUFUTTCJJPHZMV-UWVGGRQHSA-N 1 0 223.320 0.993 20 30 BCEDRO [NH2+]=C(NCc1ccco1)NCC(F)F ZINC000072914108 643329320 /nfs/dbraw/zinc/32/93/20/643329320.db2.gz PGJDPKBGCCKQQZ-UHFFFAOYSA-N 1 0 203.192 0.949 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC001020896324 643330467 /nfs/dbraw/zinc/33/04/67/643330467.db2.gz VKHIRCCQWHTZTQ-ZJQBRPOHSA-N 1 0 248.326 0.283 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001020904202 643330847 /nfs/dbraw/zinc/33/08/47/643330847.db2.gz QJWURQSSMLYWEH-MGCOHNPYSA-N 1 0 249.318 0.160 20 30 BCEDRO C[C@H](C#N)C(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC000995569424 643331913 /nfs/dbraw/zinc/33/19/13/643331913.db2.gz AFSMCBSEMDZYPC-NXEZZACHSA-N 1 0 241.310 0.942 20 30 BCEDRO C[C@H](C#N)C(=O)N1C[C@H]([NH2+]CCF)C(C)(C)C1 ZINC000995569438 643333501 /nfs/dbraw/zinc/33/35/01/643333501.db2.gz AFSMCBSEMDZYPC-ZJUUUORDSA-N 1 0 241.310 0.942 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC)cn2)C1 ZINC001020936318 643341942 /nfs/dbraw/zinc/34/19/42/643341942.db2.gz BLKCSSANOMICHC-XYPYZODXSA-N 1 0 248.330 0.939 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCn2cccc2C1 ZINC000932525426 643348006 /nfs/dbraw/zinc/34/80/06/643348006.db2.gz XNDNJAYMVCSHOK-UHFFFAOYSA-N 1 0 231.299 0.443 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001021047500 643393824 /nfs/dbraw/zinc/39/38/24/643393824.db2.gz FRNZXDVSJFUQJI-XYPYZODXSA-N 1 0 248.330 0.847 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ccnc2C)C1 ZINC001021053752 643394732 /nfs/dbraw/zinc/39/47/32/643394732.db2.gz YOEFNHBCGGALLA-HAQNSBGRSA-N 1 0 248.330 0.614 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC000970295329 643409369 /nfs/dbraw/zinc/40/93/69/643409369.db2.gz LNHOFLBMZKYCFR-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001021144809 643409749 /nfs/dbraw/zinc/40/97/49/643409749.db2.gz KTVIMBJXCRJSIX-MGCOHNPYSA-N 1 0 234.303 0.755 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001021145638 643410297 /nfs/dbraw/zinc/41/02/97/643410297.db2.gz XEAUYFOAWUCFON-MGCOHNPYSA-N 1 0 232.287 0.202 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000185965759 643419132 /nfs/dbraw/zinc/41/91/32/643419132.db2.gz VWWALSUWJOTOCD-NSHDSACASA-N 1 0 237.347 0.991 20 30 BCEDRO CCSc1cc(CNC(N)=[NH2+])ccn1 ZINC000186021951 643428303 /nfs/dbraw/zinc/42/83/03/643428303.db2.gz HMZAALSNCUYWFS-UHFFFAOYSA-N 1 0 210.306 0.967 20 30 BCEDRO COC[C@@H](O)C[N@H+](CCC#N)CC(C)C ZINC000068891221 643432192 /nfs/dbraw/zinc/43/21/92/643432192.db2.gz VOUWVDFQEXNINQ-NSHDSACASA-N 1 0 214.309 0.865 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)CC1(C)C ZINC000995794015 643456190 /nfs/dbraw/zinc/45/61/90/643456190.db2.gz SFUGRMJVTNQKFO-SNVBAGLBSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2n[nH]cc2C)CC1 ZINC000996373923 643468061 /nfs/dbraw/zinc/46/80/61/643468061.db2.gz UVAPGZNVWORPJG-UHFFFAOYSA-N 1 0 246.314 0.546 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)OC ZINC001032302206 643471702 /nfs/dbraw/zinc/47/17/02/643471702.db2.gz UDVGRUSAMIPLDU-SRVKXCTJSA-N 1 0 236.315 0.330 20 30 BCEDRO C#CCOCCC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000160328535 643475658 /nfs/dbraw/zinc/47/56/58/643475658.db2.gz UJXFZONQNZKWGE-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C=C(C)C[NH+]1CC([C@@H](C)NC(=O)c2nnc[nH]2)C1 ZINC000970608003 643482532 /nfs/dbraw/zinc/48/25/32/643482532.db2.gz FBVVPQYXFQWBEA-SECBINFHSA-N 1 0 249.318 0.431 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cccnn2)C1 ZINC000970635503 643487994 /nfs/dbraw/zinc/48/79/94/643487994.db2.gz ZOXNNIKOIREBDT-SNVBAGLBSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ccns2)CC1 ZINC000996646525 643490272 /nfs/dbraw/zinc/49/02/72/643490272.db2.gz QOUVNJRHXRGMNK-UHFFFAOYSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)C1CCC(OC)CC1 ZINC000734486280 643498388 /nfs/dbraw/zinc/49/83/88/643498388.db2.gz DGQNYQVDULNJDT-UHFFFAOYSA-N 1 0 238.331 0.625 20 30 BCEDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cc(C#N)c[nH]1 ZINC001032335976 643526465 /nfs/dbraw/zinc/52/64/65/643526465.db2.gz DHPFVEOQMCWFEB-QWRGUYRKSA-N 1 0 244.298 0.805 20 30 BCEDRO CNC(NC[C@H]1Cc2ccccc2O1)=[NH+]C ZINC000303257234 643577552 /nfs/dbraw/zinc/57/75/52/643577552.db2.gz JEGQRCPRFKSOHR-SNVBAGLBSA-N 1 0 219.288 0.785 20 30 BCEDRO C=C(C)C[NH2+]C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000997101531 643579995 /nfs/dbraw/zinc/57/99/95/643579995.db2.gz CWPJZWNAUISFRT-UHFFFAOYSA-N 1 0 249.318 0.575 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2CC2)C1 ZINC000970924381 643619525 /nfs/dbraw/zinc/61/95/25/643619525.db2.gz OGWDABJEHOAQEK-LLVKDONJSA-N 1 0 206.289 0.562 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2[nH]cnc2C)C1 ZINC000970980756 643649038 /nfs/dbraw/zinc/64/90/38/643649038.db2.gz GGDFACZEDWDCIV-SECBINFHSA-N 1 0 248.330 0.954 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2[nH]cnc2C)C1 ZINC000970980758 643649683 /nfs/dbraw/zinc/64/96/83/643649683.db2.gz GGDFACZEDWDCIV-VIFPVBQESA-N 1 0 248.330 0.954 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000971057971 643688047 /nfs/dbraw/zinc/68/80/47/643688047.db2.gz DLBYKBPBUUVPAJ-LLVKDONJSA-N 1 0 231.299 0.794 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)COC)C1 ZINC000998325508 643697555 /nfs/dbraw/zinc/69/75/55/643697555.db2.gz YHLXZPTXQJPKCJ-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)C2CC2)C1 ZINC000998329539 643698328 /nfs/dbraw/zinc/69/83/28/643698328.db2.gz TZNYSTIMDXNPEN-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)C(F)F)C1 ZINC000998338568 643699917 /nfs/dbraw/zinc/69/99/17/643699917.db2.gz UVYRTYZBKCZJBQ-UHFFFAOYSA-N 1 0 216.231 0.464 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cn[nH]c2)C1 ZINC000998489859 643708550 /nfs/dbraw/zinc/70/85/50/643708550.db2.gz DDQXKEKNOVTRRJ-UHFFFAOYSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc(C)no2)C1 ZINC000998528269 643710711 /nfs/dbraw/zinc/71/07/11/643710711.db2.gz LBXAVZFVJNZQHB-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2ccnn2C)C1 ZINC000998524208 643711028 /nfs/dbraw/zinc/71/10/28/643711028.db2.gz ZUBLNDSXTDJWTM-UHFFFAOYSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC000998527854 643711328 /nfs/dbraw/zinc/71/13/28/643711328.db2.gz VVNUPEARMDYNNL-GFCCVEGCSA-N 1 0 246.314 0.097 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000998647247 643716083 /nfs/dbraw/zinc/71/60/83/643716083.db2.gz KVEVSIOBRWHOHI-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cn(C)cn2)C1 ZINC000998623039 643716261 /nfs/dbraw/zinc/71/62/61/643716261.db2.gz BQEJVLNIMZJKOJ-UHFFFAOYSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cn(C)cn2)C1 ZINC000998625775 643716603 /nfs/dbraw/zinc/71/66/03/643716603.db2.gz SBJBWZCXBDWZCV-UHFFFAOYSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2coc(C)n2)C1 ZINC000998658002 643716935 /nfs/dbraw/zinc/71/69/35/643716935.db2.gz VXIAXZFFZCQBAW-UHFFFAOYSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cscn2)C1 ZINC000998703097 643718128 /nfs/dbraw/zinc/71/81/28/643718128.db2.gz GYKVUTRNJMPEGG-JTQLQIEISA-N 1 0 249.339 0.971 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ncoc2C)C1 ZINC000998689060 643718327 /nfs/dbraw/zinc/71/83/27/643718327.db2.gz BEVGQTVYSXSLGA-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](CC)OC)C1 ZINC000998709427 643718384 /nfs/dbraw/zinc/71/83/84/643718384.db2.gz LKTPMOXFKWKGCC-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000998689904 643718580 /nfs/dbraw/zinc/71/85/80/643718580.db2.gz QIUYZKWQMQYBRP-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2cn(C)nn2)C1 ZINC000999079436 643728352 /nfs/dbraw/zinc/72/83/52/643728352.db2.gz KOBAGSCVHZOEJF-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2ncn(C)n2)C1 ZINC000999081626 643729049 /nfs/dbraw/zinc/72/90/49/643729049.db2.gz DUMCXMYQUUERLN-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000999119685 643729645 /nfs/dbraw/zinc/72/96/45/643729645.db2.gz IVQNYACCLPUHQV-JTQLQIEISA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000999121643 643730214 /nfs/dbraw/zinc/73/02/14/643730214.db2.gz VGIFXWWPULWSSP-SNVBAGLBSA-N 1 0 232.287 0.237 20 30 BCEDRO O=C(C#CC1CC1)N1CCC[C@H]([NH2+]CCF)C1 ZINC000999130877 643730326 /nfs/dbraw/zinc/73/03/26/643730326.db2.gz YQNVFCROSPUPIZ-LBPRGKRZSA-N 1 0 238.306 0.950 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ccns2)C1 ZINC000999290311 643733225 /nfs/dbraw/zinc/73/32/25/643733225.db2.gz VYZYKVKVPMAHGA-JTQLQIEISA-N 1 0 249.339 0.971 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cc2cnoc2)C1 ZINC000999283030 643733460 /nfs/dbraw/zinc/73/34/60/643733460.db2.gz LGAQMHAZBMVOEP-UHFFFAOYSA-N 1 0 247.298 0.429 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)Cc2cnoc2)C1 ZINC000999282507 643733497 /nfs/dbraw/zinc/73/34/97/643733497.db2.gz FKZFAIBVHSXVBX-UHFFFAOYSA-N 1 0 249.314 0.982 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2nonc2C)C1 ZINC000999913282 643744199 /nfs/dbraw/zinc/74/41/99/643744199.db2.gz AASWSBVNOFCGOM-UHFFFAOYSA-N 1 0 248.286 0.204 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2nccs2)C1 ZINC001000522629 643787138 /nfs/dbraw/zinc/78/71/38/643787138.db2.gz QJVMFRRNQGMDQC-JTQLQIEISA-N 1 0 249.339 0.971 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001000514614 643787574 /nfs/dbraw/zinc/78/75/74/643787574.db2.gz JMMLVZDQTQTKBQ-NSHDSACASA-N 1 0 244.298 0.304 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)Cn2cncn2)C1 ZINC001000862296 643797834 /nfs/dbraw/zinc/79/78/34/643797834.db2.gz NNSKHPBIQYGFDE-NSHDSACASA-N 1 0 249.318 0.045 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2[nH]cnc2C)C1 ZINC001001088609 643802281 /nfs/dbraw/zinc/80/22/81/643802281.db2.gz WCYFHSNBCCLIJB-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C[C@H](C#N)CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921881718 643816446 /nfs/dbraw/zinc/81/64/46/643816446.db2.gz UTIUHDGLSZDQJY-BDAKNGLRSA-N 1 0 210.281 0.149 20 30 BCEDRO CC#CC[NH+]1CCC(NC(=O)c2cocn2)CC1 ZINC001002465914 643826933 /nfs/dbraw/zinc/82/69/33/643826933.db2.gz PBONIRIZCCBDOT-UHFFFAOYSA-N 1 0 247.298 0.892 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921994627 643838232 /nfs/dbraw/zinc/83/82/32/643838232.db2.gz XDWISHRDTANPRE-JTQLQIEISA-N 1 0 235.331 0.935 20 30 BCEDRO COC[C@@H](CO)[NH2+]Cc1csc(C#N)c1 ZINC000922080043 643860745 /nfs/dbraw/zinc/86/07/45/643860745.db2.gz BFVWASSRGWOEPF-SECBINFHSA-N 1 0 226.301 0.717 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2cc[nH]c(=O)c2)n1 ZINC000922124075 643868079 /nfs/dbraw/zinc/86/80/79/643868079.db2.gz UXXRHEZPUZRNFT-UHFFFAOYSA-N 1 0 244.258 0.040 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NCCC#N)CC1 ZINC000922229858 643911398 /nfs/dbraw/zinc/91/13/98/643911398.db2.gz WMBYEYOGLTYGAU-UHFFFAOYSA-N 1 0 234.303 0.297 20 30 BCEDRO N#Cc1cc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cs1 ZINC000922284001 643952119 /nfs/dbraw/zinc/95/21/19/643952119.db2.gz LGYBFBITMDVXJS-KYZUINATSA-N 1 0 235.312 0.973 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cnn(CCF)c1 ZINC000922299734 643960046 /nfs/dbraw/zinc/96/00/46/643960046.db2.gz QXHZMGIPVCXXHM-GFCCVEGCSA-N 1 0 239.294 0.981 20 30 BCEDRO C=CC[N@H+](C[C@H](O)C[C@]1(O)CCOC1)C(C)C ZINC000929291680 643963786 /nfs/dbraw/zinc/96/37/86/643963786.db2.gz ABWUUZNJDQLCKF-CHWSQXEVSA-N 1 0 243.347 0.785 20 30 BCEDRO C#C[C@H](CC)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000922526818 644013962 /nfs/dbraw/zinc/01/39/62/644013962.db2.gz UXNIRQRFXKQRNJ-NXEZZACHSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H](CC)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000922525703 644014094 /nfs/dbraw/zinc/01/40/94/644014094.db2.gz NFUDFWFGDZZULA-MXWKQRLJSA-N 1 0 223.320 0.790 20 30 BCEDRO Cn1nc(CCNC(N)=[NH2+])c2ccccc21 ZINC000186885222 644151751 /nfs/dbraw/zinc/15/17/51/644151751.db2.gz DVPUZRNLGQPLPU-UHFFFAOYSA-N 1 0 217.276 0.389 20 30 BCEDRO C#CC[NH+]1CCC(N(C)C(=O)c2cocn2)CC1 ZINC001005163304 644174736 /nfs/dbraw/zinc/17/47/36/644174736.db2.gz QWACOJNLIJMKHP-UHFFFAOYSA-N 1 0 247.298 0.844 20 30 BCEDRO CCN(C)C(=O)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000187051819 644200152 /nfs/dbraw/zinc/20/01/52/644200152.db2.gz OINUZGDNDXAPEI-JTQLQIEISA-N 1 0 240.351 0.511 20 30 BCEDRO C#CCC1([NH2+]Cc2ncnn2C)CCC1 ZINC000923000229 644218735 /nfs/dbraw/zinc/21/87/35/644218735.db2.gz ZMVFMWCPZOJRTI-UHFFFAOYSA-N 1 0 204.277 0.851 20 30 BCEDRO C=C(C)CONC(=O)NCC1([NH+](C)C)CC1 ZINC000923081869 644260741 /nfs/dbraw/zinc/26/07/41/644260741.db2.gz XJNMMJOPRFHDTJ-UHFFFAOYSA-N 1 0 227.308 0.888 20 30 BCEDRO C=C(C)CONC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000923079889 644262751 /nfs/dbraw/zinc/26/27/51/644262751.db2.gz HPBFEUKYABJPFY-NXEZZACHSA-N 1 0 227.308 0.886 20 30 BCEDRO C#CCN(C(=O)N[C@H](C)C#C)C1CC[NH+](C)CC1 ZINC000923215345 644288093 /nfs/dbraw/zinc/28/80/93/644288093.db2.gz DYKDFVIVEXFVNE-GFCCVEGCSA-N 1 0 247.342 0.747 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000923218703 644290697 /nfs/dbraw/zinc/29/06/97/644290697.db2.gz XVDZHMHQRNDOLM-IVZWLZJFSA-N 1 0 209.293 0.400 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000923216089 644291530 /nfs/dbraw/zinc/29/15/30/644291530.db2.gz UREWRVFVSOZNMT-WDEREUQCSA-N 1 0 241.335 0.274 20 30 BCEDRO C=CCC[C@@H](O)CN1CCC[C@H]1C[NH2+]C ZINC000923295071 644332384 /nfs/dbraw/zinc/33/23/84/644332384.db2.gz RNCZDKJYTDELSU-NWDGAFQWSA-N 1 0 212.337 0.997 20 30 BCEDRO C=CCC[C@H](O)CN1CC[NH2+][C@@H](C)[C@@H]1C ZINC000923345877 644365576 /nfs/dbraw/zinc/36/55/76/644365576.db2.gz ONXMOCBVJNYOOB-SRVKXCTJSA-N 1 0 212.337 0.996 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H](CN)C1CC1 ZINC000923357806 644366506 /nfs/dbraw/zinc/36/65/06/644366506.db2.gz RWQNVSOPSOMMLS-RYUDHWBXSA-N 1 0 212.337 0.983 20 30 BCEDRO C=CCC[C@@H](O)CN1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000923352438 644369219 /nfs/dbraw/zinc/36/92/19/644369219.db2.gz RILJJWRCGUVRSG-SDDRHHMPSA-N 1 0 230.327 0.945 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@]12C[C@H]1COC2 ZINC000923359181 644383365 /nfs/dbraw/zinc/38/33/65/644383365.db2.gz OLUSTCLZUJNOCK-ONGXEEELSA-N 1 0 210.277 0.009 20 30 BCEDRO C=CCN1CC[C@@H](N2C[C@@H](C)[C@H]([NH3+])C2)C1=O ZINC000923510084 644478043 /nfs/dbraw/zinc/47/80/43/644478043.db2.gz YBJIVPJZNCMLDK-GMTAPVOTSA-N 1 0 223.320 0.052 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521005 644482383 /nfs/dbraw/zinc/48/23/83/644482383.db2.gz XLFQOXIWNSYFCS-SDDRHHMPSA-N 1 0 237.347 0.218 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000923537089 644492563 /nfs/dbraw/zinc/49/25/63/644492563.db2.gz SIUPFKDAUYWKFC-CYBMUJFWSA-N 1 0 237.347 0.507 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCc1ccccc1 ZINC000087555835 644498717 /nfs/dbraw/zinc/49/87/17/644498717.db2.gz MCSQROZDBMRIPB-UHFFFAOYSA-N 1 0 216.284 0.568 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)c1cnccn1 ZINC000824238830 644521527 /nfs/dbraw/zinc/52/15/27/644521527.db2.gz ITMQJZDVOPDPOU-SNVBAGLBSA-N 1 0 234.303 0.772 20 30 BCEDRO C[C@@H]([NH2+]CCNC(=O)C1N=CC=CC1=O)C1CC1 ZINC000749129829 644590203 /nfs/dbraw/zinc/59/02/03/644590203.db2.gz TVUZWWCLEHPEFV-MMZVIXLHSA-N 1 0 249.314 0.901 20 30 BCEDRO C#CCCNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000753920315 644606837 /nfs/dbraw/zinc/60/68/37/644606837.db2.gz VOWPZSAQURLIJR-MNOVXSKESA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCNC(=O)CN1CC[C@H]([NH+](CC)CC)C1 ZINC000091439826 644627454 /nfs/dbraw/zinc/62/74/54/644627454.db2.gz UMCYOKYLLFOQTM-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CC[NH2+]CC(=O)NC[C@H](O)c1ccccc1 ZINC000092492204 644660387 /nfs/dbraw/zinc/66/03/87/644660387.db2.gz SXIRUYQHIJCVTH-LBPRGKRZSA-N 1 0 232.283 0.059 20 30 BCEDRO C#CCOCCC(=O)N1CC[N@@H+](C)CC1(C)C ZINC000766618872 644667821 /nfs/dbraw/zinc/66/78/21/644667821.db2.gz WCJJWPVYHCOSRV-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@@H](CNC(C)=O)C1 ZINC000957786858 644751813 /nfs/dbraw/zinc/75/18/13/644751813.db2.gz ATKCODNVYKSFNS-NWDGAFQWSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2=CCCC2)C1 ZINC000957964240 644763421 /nfs/dbraw/zinc/76/34/21/644763421.db2.gz AUYZJSADRBNQSG-STQMWFEESA-N 1 0 248.326 0.139 20 30 BCEDRO C#CC[N@@H+]1C[C@@H](CNC(=O)C2=CCCC2)[C@H](O)C1 ZINC000957964237 644763437 /nfs/dbraw/zinc/76/34/37/644763437.db2.gz AUYZJSADRBNQSG-CHWSQXEVSA-N 1 0 248.326 0.139 20 30 BCEDRO C#CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2=CCCC2)C1 ZINC000957964239 644763529 /nfs/dbraw/zinc/76/35/29/644763529.db2.gz AUYZJSADRBNQSG-QWHCGFSZSA-N 1 0 248.326 0.139 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccnc1 ZINC000958033033 644771689 /nfs/dbraw/zinc/77/16/89/644771689.db2.gz HVVGKLDYPBDGEP-ITGUQSILSA-N 1 0 243.310 0.928 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cccn1C ZINC000958259241 644783261 /nfs/dbraw/zinc/78/32/61/644783261.db2.gz FXMJAEIYNOKZNV-PJXYFTJBSA-N 1 0 245.326 0.871 20 30 BCEDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCCC#N ZINC000787356220 644784115 /nfs/dbraw/zinc/78/41/15/644784115.db2.gz HELFGJDOYSOROE-SNVBAGLBSA-N 1 0 226.324 0.930 20 30 BCEDRO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC000958331773 644789889 /nfs/dbraw/zinc/78/98/89/644789889.db2.gz OPRBJJHHNJLPMY-IAZYJMLFSA-N 1 0 247.298 0.911 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC000958361000 644791221 /nfs/dbraw/zinc/79/12/21/644791221.db2.gz NNFRDRWDYQTOFR-NDBYEHHHSA-N 1 0 248.326 0.093 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC000958360326 644791642 /nfs/dbraw/zinc/79/16/42/644791642.db2.gz JNOSHJSYDGNDII-NDBYEHHHSA-N 1 0 248.326 0.093 20 30 BCEDRO C=CCN(CCC#N)C(=S)NCC[NH+](C)C ZINC000793247822 644802467 /nfs/dbraw/zinc/80/24/67/644802467.db2.gz QOVBUXXHUDYZGC-UHFFFAOYSA-N 1 0 240.376 0.824 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn(C)cn1 ZINC000958565318 644810927 /nfs/dbraw/zinc/81/09/27/644810927.db2.gz ISJCZHHBFHGOCP-IAZYJMLFSA-N 1 0 246.314 0.266 20 30 BCEDRO CCNC(NCCC(=O)N(C)C)=[NH+]CC ZINC000303256165 644813130 /nfs/dbraw/zinc/81/31/30/644813130.db2.gz HIVMKUCUJFQBAX-UHFFFAOYSA-N 1 0 214.313 0.040 20 30 BCEDRO CNC(NCCC(=O)NC1CCCCC1)=[NH+]C ZINC000303263524 644813136 /nfs/dbraw/zinc/81/31/36/644813136.db2.gz QXWVGCBSJFGMNF-UHFFFAOYSA-N 1 0 240.351 0.620 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=CCOCC1 ZINC000958647158 644816798 /nfs/dbraw/zinc/81/67/98/644816798.db2.gz LWYZKFBAPZNGJI-ITGUQSILSA-N 1 0 248.326 0.566 20 30 BCEDRO C[NH+]=C(NCCCCOCCOC)NC1CC1 ZINC000303396413 644820316 /nfs/dbraw/zinc/82/03/16/644820316.db2.gz HVJACKCHKCXYRH-UHFFFAOYSA-N 1 0 243.351 0.757 20 30 BCEDRO CC[NH+]=C(NCCOC)NC(C)(C)C ZINC000303462498 644827190 /nfs/dbraw/zinc/82/71/90/644827190.db2.gz BDFMBZLUYAYDSE-UHFFFAOYSA-N 1 0 201.314 0.986 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC1(F)F ZINC000958800774 644828585 /nfs/dbraw/zinc/82/85/85/644828585.db2.gz KIMDBZHGKWWPDV-RGOKHQFPSA-N 1 0 242.269 0.874 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)N1CCCCC1 ZINC000303709932 644839912 /nfs/dbraw/zinc/83/99/12/644839912.db2.gz OGARMFLERRQOAJ-JTQLQIEISA-N 1 0 211.309 0.966 20 30 BCEDRO CC(C)NC(=[NH2+])NCCc1nnc2ccccn21 ZINC000303775012 644844756 /nfs/dbraw/zinc/84/47/56/644844756.db2.gz GMJMXSYLWLUSIV-UHFFFAOYSA-N 1 0 246.318 0.585 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCCOCC1CC1 ZINC000303769813 644844857 /nfs/dbraw/zinc/84/48/57/644844857.db2.gz BEHCOJFYCIAALO-SNVBAGLBSA-N 1 0 243.351 0.742 20 30 BCEDRO CCCCOCCNC(=[NH2+])N1CCOCC1 ZINC000303863655 644850737 /nfs/dbraw/zinc/85/07/37/644850737.db2.gz AKYYTKRWXWZLCI-UHFFFAOYSA-N 1 0 229.324 0.450 20 30 BCEDRO C[C@@H](C[NH+]=C(N(C)C)N(C)C)Cn1cccn1 ZINC000303865009 644851721 /nfs/dbraw/zinc/85/17/21/644851721.db2.gz BMHLELQQLDQHLI-NSHDSACASA-N 1 0 237.351 0.998 20 30 BCEDRO COc1ccc(C=NNC(N)=[NH2+])cc1F ZINC000252453502 644853148 /nfs/dbraw/zinc/85/31/48/644853148.db2.gz MDPPGXKIYZFURC-UHFFFAOYSA-N 1 0 210.212 0.651 20 30 BCEDRO CC[C@H](C)NC(=O)CC[NH+]=C(N(C)C)N(C)C ZINC000303885810 644854576 /nfs/dbraw/zinc/85/45/76/644854576.db2.gz NKBFKFIALNQTTJ-JTQLQIEISA-N 1 0 242.367 0.770 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCc1ccnn1C ZINC000303896334 644855610 /nfs/dbraw/zinc/85/56/10/644855610.db2.gz PXDPAVMRHADKFU-UHFFFAOYSA-N 1 0 223.324 0.871 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCCCC(=O)OC ZINC000303897374 644856423 /nfs/dbraw/zinc/85/64/23/644856423.db2.gz UZNWQZQUFXXAIA-SECBINFHSA-N 1 0 245.323 0.269 20 30 BCEDRO CCCNC(=[NH2+])NCCC[N@H+](C)CCOC ZINC000303911822 644857578 /nfs/dbraw/zinc/85/75/78/644857578.db2.gz ZVJOKDKROGTJPE-UHFFFAOYSA-N 1 0 230.356 0.269 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCCOCCOC ZINC000303986690 644862824 /nfs/dbraw/zinc/86/28/24/644862824.db2.gz UPZUNYOTYZIREN-UHFFFAOYSA-N 1 0 243.351 0.910 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000303990120 644863208 /nfs/dbraw/zinc/86/32/08/644863208.db2.gz YHBOPOPIRWGLOA-UHFFFAOYSA-N 1 0 247.302 0.501 20 30 BCEDRO CNC(NCCc1ccc(C)nc1)=[NH+]C ZINC000304061849 644868362 /nfs/dbraw/zinc/86/83/62/644868362.db2.gz PYXFMVMGAXKECX-UHFFFAOYSA-N 1 0 206.293 0.727 20 30 BCEDRO CC(C)[NH+]1CCN(CCO[C@H](C)C#N)CC1 ZINC000304208978 644876707 /nfs/dbraw/zinc/87/67/07/644876707.db2.gz DOMWBMLJBXBNOC-GFCCVEGCSA-N 1 0 225.336 0.941 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)Cn1cccn1 ZINC000304206203 644876734 /nfs/dbraw/zinc/87/67/34/644876734.db2.gz CXIHWNNLKDVUDC-WDEREUQCSA-N 1 0 222.292 0.790 20 30 BCEDRO CC[N@@H+]1CCN(CCO[C@@H](C)C#N)C[C@@H]1C ZINC000304231580 644879296 /nfs/dbraw/zinc/87/92/96/644879296.db2.gz KYIJZFXDDFLGMB-RYUDHWBXSA-N 1 0 225.336 0.941 20 30 BCEDRO CNC(=[NH2+])NCC[S@@](=O)C(C)(C)C ZINC000304246820 644882214 /nfs/dbraw/zinc/88/22/14/644882214.db2.gz VXBAPRSYIZLBBL-CYBMUJFWSA-N 1 0 205.327 0.068 20 30 BCEDRO CCc1nncn1CCNC(=[NH2+])N[C@@H](C)CC ZINC000304262635 644884210 /nfs/dbraw/zinc/88/42/10/644884210.db2.gz CGQWSVAZBZXBMG-VIFPVBQESA-N 1 0 238.339 0.543 20 30 BCEDRO COC[C@@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000809575344 644894010 /nfs/dbraw/zinc/89/40/10/644894010.db2.gz ZJMLTRRCGLEBCO-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccon1 ZINC000304495359 644912122 /nfs/dbraw/zinc/91/21/22/644912122.db2.gz NKLSNQWITWUXPR-SSDOTTSWSA-N 1 0 212.253 0.114 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCC(F)(F)F ZINC000304765779 644933375 /nfs/dbraw/zinc/93/33/75/644933375.db2.gz ZSPBEFCQXXDXGG-LURJTMIESA-N 1 0 227.230 0.878 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000815055769 644948580 /nfs/dbraw/zinc/94/85/80/644948580.db2.gz NDQPPIFISCEPPY-NSHDSACASA-N 1 0 239.319 0.504 20 30 BCEDRO N#CCCOCC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000815060764 644949529 /nfs/dbraw/zinc/94/95/29/644949529.db2.gz ZIXVGFZYCJCTDF-UHFFFAOYSA-N 1 0 249.318 0.914 20 30 BCEDRO CON=CC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000817044053 644967600 /nfs/dbraw/zinc/96/76/00/644967600.db2.gz WZRQAYDTYOIELO-LLVKDONJSA-N 1 0 225.292 0.173 20 30 BCEDRO CSC[C@H](O)C[NH2+]Cc1ccc(C#N)cn1 ZINC000819312624 645010349 /nfs/dbraw/zinc/01/03/49/645010349.db2.gz UYSUXBJTUMCUJW-LLVKDONJSA-N 1 0 237.328 0.767 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC000821712089 645036757 /nfs/dbraw/zinc/03/67/57/645036757.db2.gz MPIZUNXSIDECCW-LLVKDONJSA-N 1 0 226.320 0.383 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)CC#N)CC[C@@H]21 ZINC000827277742 645077002 /nfs/dbraw/zinc/07/70/02/645077002.db2.gz OTSJMBWFDIAWOT-ZJUUUORDSA-N 1 0 207.277 0.453 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827321709 645077902 /nfs/dbraw/zinc/07/79/02/645077902.db2.gz WFBTZKXGXIUTKM-VXGBXAGGSA-N 1 0 238.331 0.742 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000827533387 645081484 /nfs/dbraw/zinc/08/14/84/645081484.db2.gz UCQVXAAAOVPJCI-NXEZZACHSA-N 1 0 214.309 0.236 20 30 BCEDRO C#CC1CC[NH+](CC(=O)NCCC)CC1 ZINC000830300995 645117838 /nfs/dbraw/zinc/11/78/38/645117838.db2.gz FSODZFVQVNVVRB-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC1CC[NH+](CC(=O)NC(=O)NCC)CC1 ZINC000830301342 645118984 /nfs/dbraw/zinc/11/89/84/645118984.db2.gz JUIDOJCQCKESBT-UHFFFAOYSA-N 1 0 237.303 0.177 20 30 BCEDRO C#CC1CC[NH+](CCC(=O)N(C)OC)CC1 ZINC000830345523 645120920 /nfs/dbraw/zinc/12/09/20/645120920.db2.gz HAWRXJWZPPQXHK-UHFFFAOYSA-N 1 0 224.304 0.742 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000831732655 645130534 /nfs/dbraw/zinc/13/05/34/645130534.db2.gz CUNBUNHMMJBGRK-LLVKDONJSA-N 1 0 238.331 0.625 20 30 BCEDRO CCOCCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834521241 645143111 /nfs/dbraw/zinc/14/31/11/645143111.db2.gz FQJUHLZHGBPIED-NXEZZACHSA-N 1 0 225.292 0.031 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000834484123 645143247 /nfs/dbraw/zinc/14/32/47/645143247.db2.gz DYPULBPFOBDFQW-OOCWMUITSA-N 1 0 233.315 0.650 20 30 BCEDRO CC(C)c1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)[nH]n1 ZINC000834521463 645143503 /nfs/dbraw/zinc/14/35/03/645143503.db2.gz JQKOIEFFUHRWIU-GZMMTYOYSA-N 1 0 247.302 0.374 20 30 BCEDRO Cc1ncsc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834521347 645143902 /nfs/dbraw/zinc/14/39/02/645143902.db2.gz GVTZNPVVDFYISS-JGVFFNPUSA-N 1 0 236.300 0.293 20 30 BCEDRO C[C@@H]1CC(N=Nc2ccncn2)C[N@@H+]1C ZINC000835002919 645157411 /nfs/dbraw/zinc/15/74/11/645157411.db2.gz URQSLMIUUYGHRN-MRVPVSSYSA-N 1 0 205.265 0.969 20 30 BCEDRO C#C[C@H](CC)NS(=O)(=O)CCC[NH+](C)C ZINC000867198966 645184146 /nfs/dbraw/zinc/18/41/46/645184146.db2.gz SLBUEMLRCJCOHT-SNVBAGLBSA-N 1 0 232.349 0.269 20 30 BCEDRO C=C(CO)C(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000836946993 645184311 /nfs/dbraw/zinc/18/43/11/645184311.db2.gz FVUZLIPIUNNJHY-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)C1CC1 ZINC000841507113 645217495 /nfs/dbraw/zinc/21/74/95/645217495.db2.gz SLTRCJLCTNDCQY-UJNFCWOMSA-N 1 0 222.292 0.196 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000926527321 645255002 /nfs/dbraw/zinc/25/50/02/645255002.db2.gz QSHGUOIMWGQCRO-QCNOEVLYSA-N 1 0 238.331 0.977 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000843077339 645260738 /nfs/dbraw/zinc/26/07/38/645260738.db2.gz NKNZRNYSZODUJK-PWSUYJOCSA-N 1 0 238.262 0.228 20 30 BCEDRO C=C(C)CNC(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000926841117 645451882 /nfs/dbraw/zinc/45/18/82/645451882.db2.gz JXIOTHBCDUWQPV-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2CN3C[C@@H]2CCC3)C1 ZINC000926870009 645465122 /nfs/dbraw/zinc/46/51/22/645465122.db2.gz ZLVJFOPNFQDMMG-RRFJBIMHSA-N 1 0 247.386 0.768 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCN(CC)C2=O)C1 ZINC000852216647 645475503 /nfs/dbraw/zinc/47/55/03/645475503.db2.gz JGBGLGQDTBTMIE-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO Cn1nccc1[C@H](O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000927129882 645562933 /nfs/dbraw/zinc/56/29/33/645562933.db2.gz LOJLLFARAUSHED-JBLDHEPKSA-N 1 0 234.303 0.735 20 30 BCEDRO Cn1nnc2c1C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)CC2 ZINC000927142490 645567252 /nfs/dbraw/zinc/56/72/52/645567252.db2.gz CLYCGDRKTFFANW-GMTAPVOTSA-N 1 0 245.330 0.954 20 30 BCEDRO C[C@H](CCO)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927162564 645580089 /nfs/dbraw/zinc/58/00/89/645580089.db2.gz GCVCVANWSWTBOQ-SNVBAGLBSA-N 1 0 234.303 0.726 20 30 BCEDRO C#CC[C@H]1NC(=O)N(C2CC[NH+](C)CC2)C1=O ZINC000927292077 645593360 /nfs/dbraw/zinc/59/33/60/645593360.db2.gz DKGZNNRQLMFHLU-SNVBAGLBSA-N 1 0 235.287 0.024 20 30 BCEDRO CC#CC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927698888 645639283 /nfs/dbraw/zinc/63/92/83/645639283.db2.gz FXKDIFBACDWRCJ-UHFFFAOYSA-N 1 0 217.272 0.787 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C[N@@H+](C)CCC ZINC000863799738 645705401 /nfs/dbraw/zinc/70/54/01/645705401.db2.gz PHXFUQVBUBFKTI-LLVKDONJSA-N 1 0 226.320 0.483 20 30 BCEDRO C#CCOCCNC(=O)C[N@@H+](C)C1CCC1 ZINC000863905584 645708972 /nfs/dbraw/zinc/70/89/72/645708972.db2.gz JUMIYMQPVQKNQK-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NN1CCC[C@@H](OC)C1 ZINC000928420084 645735235 /nfs/dbraw/zinc/73/52/35/645735235.db2.gz RCFNZQWJADBQBN-LLVKDONJSA-N 1 0 241.335 0.246 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)CC2(C#N)CC2)CC[N@@H+]1C ZINC000928432737 645752791 /nfs/dbraw/zinc/75/27/91/645752791.db2.gz KDNAUONFNWBEBZ-UWVGGRQHSA-N 1 0 221.304 0.889 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928436925 645757617 /nfs/dbraw/zinc/75/76/17/645757617.db2.gz WINCNBCFYMCXSH-NGZCFLSTSA-N 1 0 212.293 0.132 20 30 BCEDRO C#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928442704 645767658 /nfs/dbraw/zinc/76/76/58/645767658.db2.gz RRXLOJRAOYIVBP-MNOVXSKESA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCOCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928446248 645771091 /nfs/dbraw/zinc/77/10/91/645771091.db2.gz VMGULAZIQNIOMK-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928447612 645771802 /nfs/dbraw/zinc/77/18/02/645771802.db2.gz LGTUGIZVMFFRKK-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCC#N)CC[C@H]21 ZINC000875540875 645778924 /nfs/dbraw/zinc/77/89/24/645778924.db2.gz MRGJPDNDTOKDKY-GHMZBOCLSA-N 1 0 236.319 0.636 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](C)CC1 ZINC000928542198 645798770 /nfs/dbraw/zinc/79/87/70/645798770.db2.gz YBCQRKXSLSTFDF-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928573473 645832775 /nfs/dbraw/zinc/83/27/75/645832775.db2.gz OTESRVMSPROTFF-QJPTWQEYSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cn2cccc(F)c2n1 ZINC000883124560 645849657 /nfs/dbraw/zinc/84/96/57/645849657.db2.gz KDNBYAIBABWMET-SNVBAGLBSA-N 1 0 247.273 0.947 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1conc1CC ZINC000883124452 645849700 /nfs/dbraw/zinc/84/97/00/645849700.db2.gz HGKOPWCCQVEWKD-JTQLQIEISA-N 1 0 208.261 0.711 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2cncn2C)CC1 ZINC000928652914 645853203 /nfs/dbraw/zinc/85/32/03/645853203.db2.gz RDBUNBCSXQVDPZ-UHFFFAOYSA-N 1 0 246.314 0.248 20 30 BCEDRO C[C@@H](C(=O)N[C@@H](CC#N)C(F)(F)F)[NH+](C)C ZINC000928799515 645858712 /nfs/dbraw/zinc/85/87/12/645858712.db2.gz CXUMXKOXCNJYJX-BQBZGAKWSA-N 1 0 237.225 0.897 20 30 BCEDRO C[NH+](C)CCNC(=O)C1(C#N)CCSCC1 ZINC000929162330 645982658 /nfs/dbraw/zinc/98/26/58/645982658.db2.gz LBMKYLUDLHMTMK-UHFFFAOYSA-N 1 0 241.360 0.701 20 30 BCEDRO C=C(C)C[N@H+](CC)C[C@H](O)C1(O)CCOCC1 ZINC000929216334 646015892 /nfs/dbraw/zinc/01/58/92/646015892.db2.gz AUTLQLCCNRBMRS-LBPRGKRZSA-N 1 0 243.347 0.787 20 30 BCEDRO C=C(C)C[N@H+](CC)C[C@H](O)C[C@]1(O)CCOC1 ZINC000929217623 646017432 /nfs/dbraw/zinc/01/74/32/646017432.db2.gz MVOXNWYVADJQFH-CHWSQXEVSA-N 1 0 243.347 0.787 20 30 BCEDRO CNC(=O)C[N@H+](C)CC1CCC(C#N)CC1 ZINC000929258979 646040088 /nfs/dbraw/zinc/04/00/88/646040088.db2.gz LLZARQJSLZQCHB-UHFFFAOYSA-N 1 0 223.320 0.994 20 30 BCEDRO N#CC[C@@H](O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000929282494 646058219 /nfs/dbraw/zinc/05/82/19/646058219.db2.gz ALWAHYSJNOYINH-QWHCGFSZSA-N 1 0 237.347 0.821 20 30 BCEDRO CC[N@H+](CCC(=O)OC)C[C@H](O)CC#N ZINC000929419391 646114135 /nfs/dbraw/zinc/11/41/35/646114135.db2.gz WWXPKLOZVZQTEY-SECBINFHSA-N 1 0 214.265 0.146 20 30 BCEDRO C=CCCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924852031 646119757 /nfs/dbraw/zinc/11/97/57/646119757.db2.gz HHARMIRILIXOOW-SECBINFHSA-N 1 0 225.292 0.435 20 30 BCEDRO C=CCN1CC(=O)N([C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924885722 646125575 /nfs/dbraw/zinc/12/55/75/646125575.db2.gz JCRGUXIKQWGLJY-NSHDSACASA-N 1 0 249.314 0.673 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C(N)=O)[C@@H](C)CC ZINC000925090765 646182374 /nfs/dbraw/zinc/18/23/74/646182374.db2.gz VTCKIBWAUPRZGS-WPRPVWTQSA-N 1 0 241.335 0.120 20 30 BCEDRO N#CC1CCC(C[N@@H+](CCO)CCCO)CC1 ZINC000929616437 646201325 /nfs/dbraw/zinc/20/13/25/646201325.db2.gz YVSOSOXGTJTETD-UHFFFAOYSA-N 1 0 240.347 0.993 20 30 BCEDRO COCC1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929628102 646208854 /nfs/dbraw/zinc/20/88/54/646208854.db2.gz AWDHTPGYSFRIKR-LLVKDONJSA-N 1 0 212.293 0.619 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925323286 646239536 /nfs/dbraw/zinc/23/95/36/646239536.db2.gz CPEILSZSNQNODE-NXEZZACHSA-N 1 0 209.293 0.402 20 30 BCEDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000929684433 646243347 /nfs/dbraw/zinc/24/33/47/646243347.db2.gz GWYZKUUDXFBAMF-UTUOFQBUSA-N 1 0 226.320 0.886 20 30 BCEDRO C=CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925336999 646247496 /nfs/dbraw/zinc/24/74/96/646247496.db2.gz GATQGRHHZQVCCE-VHSXEESVSA-N 1 0 211.309 0.906 20 30 BCEDRO C#CC1(F)CN(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000925354112 646250276 /nfs/dbraw/zinc/25/02/76/646250276.db2.gz JQUZXQLGHLDNNM-VHSXEESVSA-N 1 0 239.294 0.446 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000925419883 646270629 /nfs/dbraw/zinc/27/06/29/646270629.db2.gz GZBKGPTWJBQLNI-GXSJLCMTSA-N 1 0 240.282 0.338 20 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0.901 20 30 BCEDRO CCC(CC)(CC(=O)OC)[NH2+]C[C@H](O)CC#N ZINC000930026290 646399731 /nfs/dbraw/zinc/39/97/31/646399731.db2.gz YNTUDVAXXFTIEZ-SNVBAGLBSA-N 1 0 242.319 0.972 20 30 BCEDRO CC[C@](C)(CC(=O)OC)[NH2+]C[C@H](O)CC#N ZINC000930028372 646401616 /nfs/dbraw/zinc/40/16/16/646401616.db2.gz MVDGDUCHQMHETO-MWLCHTKSSA-N 1 0 228.292 0.582 20 30 BCEDRO N#Cc1ccc(CN[C@H]2C[NH2+]CCOC2)nc1 ZINC000925675574 646405673 /nfs/dbraw/zinc/40/56/73/646405673.db2.gz WJZRUDOCOKTBGS-LBPRGKRZSA-N 1 0 232.287 0.031 20 30 BCEDRO N#Cc1ccc(CN[C@@H]2C[NH2+]CCOC2)nc1 ZINC000925675573 646405730 /nfs/dbraw/zinc/40/57/30/646405730.db2.gz WJZRUDOCOKTBGS-GFCCVEGCSA-N 1 0 232.287 0.031 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)c1cnnn1C ZINC000925698656 646423389 /nfs/dbraw/zinc/42/33/89/646423389.db2.gz SYUOOGUZFOQLCC-VHSXEESVSA-N 1 0 224.308 0.650 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000925699885 646423729 /nfs/dbraw/zinc/42/37/29/646423729.db2.gz YFCWBDWMZJZKJC-ZJUUUORDSA-N 1 0 226.320 0.285 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)C[C@H]1CCC[C@@H]1O ZINC000930096163 646434894 /nfs/dbraw/zinc/43/48/94/646434894.db2.gz GBHVTGQMHGVJJF-MXWKQRLJSA-N 1 0 212.293 0.354 20 30 BCEDRO COCCO[C@@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000930115132 646440462 /nfs/dbraw/zinc/44/04/62/646440462.db2.gz XMPZZXRPMDZRSI-VXGBXAGGSA-N 1 0 242.319 0.388 20 30 BCEDRO CC[C@H](CO)[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000930113216 646441026 /nfs/dbraw/zinc/44/10/26/646441026.db2.gz BVKUKYYLDULGHW-OLZOCXBDSA-N 1 0 239.363 0.923 20 30 BCEDRO C[C@@H]1[C@H](C)N(C[C@H](O)CC#N)CC[N@H+]1C ZINC000930178421 646480985 /nfs/dbraw/zinc/48/09/85/646480985.db2.gz YQPFAPMMMTXWDR-OUAUKWLOSA-N 1 0 211.309 0.285 20 30 BCEDRO N#Cc1ccc(NCCN[C@H]2CCC[C@@H]2[NH3+])nc1 ZINC000925892987 646534445 /nfs/dbraw/zinc/53/44/45/646534445.db2.gz JDSIQJGNYYGXCI-RYUDHWBXSA-N 1 0 245.330 0.835 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CO[C@@H](C)[C@H]1C ZINC000926126790 646579134 /nfs/dbraw/zinc/57/91/34/646579134.db2.gz UAMIEWOLTUUDDG-OUAUKWLOSA-N 1 0 247.360 0.600 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1COC[C@H]1CC ZINC000926123987 646579592 /nfs/dbraw/zinc/57/95/92/646579592.db2.gz BHQZGNVKIUZFIL-MNOVXSKESA-N 1 0 247.360 0.602 20 30 BCEDRO CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCCOC1 ZINC000723992490 711552142 /nfs/dbraw/zinc/55/21/42/711552142.db2.gz IHBRJTNNTDOSLR-GHMZBOCLSA-N 1 0 239.319 0.421 20 30 BCEDRO CC[C@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCCOC1 ZINC000723992492 711552290 /nfs/dbraw/zinc/55/22/90/711552290.db2.gz IHBRJTNNTDOSLR-MNOVXSKESA-N 1 0 239.319 0.421 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000716827046 711585092 /nfs/dbraw/zinc/58/50/92/711585092.db2.gz CRAKHZCAZSYPRK-MNOVXSKESA-N 1 0 227.304 0.766 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000717530704 711602507 /nfs/dbraw/zinc/60/25/07/711602507.db2.gz ASQWWKSOGOXELM-LBPRGKRZSA-N 1 0 223.247 0.444 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721775738 711769060 /nfs/dbraw/zinc/76/90/60/711769060.db2.gz HXGXQXOPYQBDIH-LLVKDONJSA-N 1 0 211.305 0.729 20 30 BCEDRO C=CC[N@H+]1CCCN(C(=O)COC)CC1 ZINC000072252693 711775281 /nfs/dbraw/zinc/77/52/81/711775281.db2.gz KQWJQODGISXIIR-UHFFFAOYSA-N 1 0 212.293 0.353 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@H](C)SC)CC1 ZINC000989967706 711799031 /nfs/dbraw/zinc/79/90/31/711799031.db2.gz NOJAJPISMDQPKH-JTQLQIEISA-N 1 0 240.372 0.952 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CCC2)C1 ZINC001076665145 711807906 /nfs/dbraw/zinc/80/79/06/711807906.db2.gz BOEDYNDBDUFILD-VXGBXAGGSA-N 1 0 238.331 0.524 20 30 BCEDRO CC(C)COCCCNC1=[NH+]CCN1C ZINC000379917175 711814082 /nfs/dbraw/zinc/81/40/82/711814082.db2.gz PVHPPHXJOZUZNS-UHFFFAOYSA-N 1 0 213.325 0.940 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)c1ccn(C)n1 ZINC000907458861 711815426 /nfs/dbraw/zinc/81/54/26/711815426.db2.gz KSVGGJZRKVZCAM-UHFFFAOYSA-N 1 0 236.319 0.891 20 30 BCEDRO Cc1ncccc1C(=O)NCC#CC[NH+](C)C ZINC000913518483 711823779 /nfs/dbraw/zinc/82/37/79/711823779.db2.gz QYQKBKJSLALJPP-UHFFFAOYSA-N 1 0 231.299 0.685 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC001038094904 711840663 /nfs/dbraw/zinc/84/06/63/711840663.db2.gz IKOOGELUCGNYBW-NWDGAFQWSA-N 1 0 237.347 0.457 20 30 BCEDRO C[NH+](C)C[C@H](N)C(=O)Nc1cccc(C#N)c1 ZINC000702416781 712051744 /nfs/dbraw/zinc/05/17/44/712051744.db2.gz HWTGYZXJTCJCEA-NSHDSACASA-N 1 0 232.287 0.386 20 30 BCEDRO C=C(Br)CNC(=O)[C@H]1OCC[C@H]1[NH3+] ZINC000703128585 712067141 /nfs/dbraw/zinc/06/71/41/712067141.db2.gz VWFHDPWHJUHYHS-RQJHMYQMSA-N 1 0 249.108 0.127 20 30 BCEDRO CCCCCCCNC(=O)C(=O)NCC[NH3+] ZINC000703757247 712086304 /nfs/dbraw/zinc/08/63/04/712086304.db2.gz RVGCJYCDKKFUTH-UHFFFAOYSA-N 1 0 229.324 0.148 20 30 BCEDRO CNC(NCC[C@H]1CCSC1)=[NH+]C ZINC000704862795 712118943 /nfs/dbraw/zinc/11/89/43/712118943.db2.gz CTOLCNNFBDEACE-QMMMGPOBSA-N 1 0 201.339 0.924 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705333840 712129296 /nfs/dbraw/zinc/12/92/96/712129296.db2.gz PFQLAEAJMNPIAC-PHIMTYICSA-N 1 0 226.320 0.459 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000706502395 712147781 /nfs/dbraw/zinc/14/77/81/712147781.db2.gz ZJGDULVROXVTFY-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@@H]([NH3+])CC ZINC000707270029 712167900 /nfs/dbraw/zinc/16/79/00/712167900.db2.gz WIVPHNVJNSRZPP-VIFPVBQESA-N 1 0 228.292 0.301 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000707276879 712167300 /nfs/dbraw/zinc/16/73/00/712167300.db2.gz SYVUMBLMBYZPHQ-AOOOYVTPSA-N 1 0 240.303 0.301 20 30 BCEDRO C#CCCCCC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000708822641 712200129 /nfs/dbraw/zinc/20/01/29/712200129.db2.gz MTYNLASVGPWNQE-VXGBXAGGSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2CN(C(=O)COC)CC[C@@H]21 ZINC001036607143 712200150 /nfs/dbraw/zinc/20/01/50/712200150.db2.gz SBLOGEQGADVWTJ-NEPJUHHUSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C(F)F)CC[C@@H]21 ZINC001036611370 712225196 /nfs/dbraw/zinc/22/51/96/712225196.db2.gz CDFMIRVPDINMQY-ZJUUUORDSA-N 1 0 242.269 0.808 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710847849 712258462 /nfs/dbraw/zinc/25/84/62/712258462.db2.gz AJUQLGWOKSSHRS-JQWIXIFHSA-N 1 0 242.319 0.072 20 30 BCEDRO C#CCCS(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000711065671 712278135 /nfs/dbraw/zinc/27/81/35/712278135.db2.gz UKZCWWYVYRBFBQ-LLVKDONJSA-N 1 0 244.360 0.366 20 30 BCEDRO C=CCCS(=O)(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000711064631 712278249 /nfs/dbraw/zinc/27/82/49/712278249.db2.gz DGZPTGTUMIEPNZ-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C#CCCS(=O)(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000711158669 712286851 /nfs/dbraw/zinc/28/68/51/712286851.db2.gz HIPQALHGAANQGL-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO C#C[C@@H]([NH2+]CCOCCC#N)[C@@H]1CCCO1 ZINC000378860132 712363174 /nfs/dbraw/zinc/36/31/74/712363174.db2.gz OHKILYMZDSRUFG-NEPJUHHUSA-N 1 0 222.288 0.687 20 30 BCEDRO C#C[C@H]([NH2+]CCOCCC#N)[C@H]1CCCO1 ZINC000378860133 712363745 /nfs/dbraw/zinc/36/37/45/712363745.db2.gz OHKILYMZDSRUFG-NWDGAFQWSA-N 1 0 222.288 0.687 20 30 BCEDRO CC(=[NH+]N[C@@H](C)CO)c1ccc(N)nc1 ZINC000378853952 712366211 /nfs/dbraw/zinc/36/62/11/712366211.db2.gz IIFLRALPZZQBSQ-ZETCQYMHSA-N 1 0 208.265 0.189 20 30 BCEDRO Cc1cc(N)cc(C)c1C=[NH+]OCC(N)=O ZINC000390308757 712399709 /nfs/dbraw/zinc/39/97/09/712399709.db2.gz FJGWJUFONOFYHO-UHFFFAOYSA-N 1 0 221.260 0.721 20 30 BCEDRO C#CCNC(=S)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000758214973 712407977 /nfs/dbraw/zinc/40/79/77/712407977.db2.gz CDMRALAPJDTKJH-LLVKDONJSA-N 1 0 239.388 0.814 20 30 BCEDRO C=CCNC(=O)CN1CC[NH2+]CCC1(C)C ZINC000712539370 712443211 /nfs/dbraw/zinc/44/32/11/712443211.db2.gz CDUCBHVPVUKNCB-UHFFFAOYSA-N 1 0 225.336 0.363 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNc1ccnc(C#N)c1 ZINC000712568740 712447146 /nfs/dbraw/zinc/44/71/46/712447146.db2.gz FHKVCLLHYFJASW-NSHDSACASA-N 1 0 202.261 0.491 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCC(O)(C(N)=O)CC1 ZINC000715029025 712504764 /nfs/dbraw/zinc/50/47/64/712504764.db2.gz NEKWYQWIHGUUDD-VIFPVBQESA-N 1 0 212.293 0.263 20 30 BCEDRO C=CC[C@@H](C)[N@H+](C)CC(C)(CO)CO ZINC000715057335 712505321 /nfs/dbraw/zinc/50/53/21/712505321.db2.gz GWAWFQKZRAPEBX-SNVBAGLBSA-N 1 0 201.310 0.874 20 30 BCEDRO CC[C@H](C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000715840913 712532827 /nfs/dbraw/zinc/53/28/27/712532827.db2.gz DPDYVAYACLRQPL-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@H]1CCN(CCOC)C1 ZINC000716857220 712578780 /nfs/dbraw/zinc/57/87/80/712578780.db2.gz PVUKUPTXGAKOMN-STQMWFEESA-N 1 0 240.347 0.335 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cnn(C)c1 ZINC000716928391 712596500 /nfs/dbraw/zinc/59/65/00/712596500.db2.gz IHDBEPNLVDMJTC-NSHDSACASA-N 1 0 207.277 0.548 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1c(C)cnn1C ZINC000716954633 712599728 /nfs/dbraw/zinc/59/97/28/712599728.db2.gz AQXRDNXJJLOTET-NSHDSACASA-N 1 0 221.304 0.856 20 30 BCEDRO C=CCCCCCN(C)S(=O)(=O)C1C[NH2+]C1 ZINC000923618853 712623850 /nfs/dbraw/zinc/62/38/50/712623850.db2.gz WCEFUARKDRRKKD-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000717437721 712657890 /nfs/dbraw/zinc/65/78/90/712657890.db2.gz KIWACYPLXSCRPX-GFCCVEGCSA-N 1 0 241.237 0.584 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000717437722 712658051 /nfs/dbraw/zinc/65/80/51/712658051.db2.gz KIWACYPLXSCRPX-LBPRGKRZSA-N 1 0 241.237 0.584 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000717569483 712661143 /nfs/dbraw/zinc/66/11/43/712661143.db2.gz CFPQWFDSWFLJHX-AEJSXWLSSA-N 1 0 212.293 0.180 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000717698065 712665392 /nfs/dbraw/zinc/66/53/92/712665392.db2.gz BDEPOSZKSZXFSW-NNYUYHANSA-N 1 0 211.305 0.916 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc(C)n1C ZINC000717739913 712668685 /nfs/dbraw/zinc/66/86/85/712668685.db2.gz KJTWYMMPIMDBBH-JTQLQIEISA-N 1 0 207.277 0.202 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1COC(C)(C)C1 ZINC000717750725 712668814 /nfs/dbraw/zinc/66/88/14/712668814.db2.gz VRDOPPHNKNUZRO-MNOVXSKESA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cncc(OC)c1 ZINC000717762415 712674310 /nfs/dbraw/zinc/67/43/10/712674310.db2.gz UABYPGMMYFXZTJ-GFCCVEGCSA-N 1 0 234.299 0.954 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1snnc1C ZINC000717828341 712681651 /nfs/dbraw/zinc/68/16/51/712681651.db2.gz FWGIOOYBDKOXTC-QMMMGPOBSA-N 1 0 211.290 0.320 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c(C)cnn1C ZINC000717840875 712691289 /nfs/dbraw/zinc/69/12/89/712691289.db2.gz LVLQYVAEPOBMQL-SNVBAGLBSA-N 1 0 207.277 0.202 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000384901418 712704300 /nfs/dbraw/zinc/70/43/00/712704300.db2.gz WSRVMCAKFHKXIS-GMTAPVOTSA-N 1 0 212.293 0.760 20 30 BCEDRO N#CCCNC(=O)C[NH2+]C1(C2CC2)CCC1 ZINC000717883627 712731296 /nfs/dbraw/zinc/73/12/96/712731296.db2.gz JPBDDIMUPNKJLC-UHFFFAOYSA-N 1 0 221.304 0.939 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718227022 712754602 /nfs/dbraw/zinc/75/46/02/712754602.db2.gz RSHDUFYRCKMZHC-GARJFASQSA-N 1 0 210.277 0.493 20 30 BCEDRO CC[C@@H](CO)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000037888152 712780931 /nfs/dbraw/zinc/78/09/31/712780931.db2.gz ARVQDSDQJKMIIY-STQMWFEESA-N 1 0 234.299 0.952 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720742590 712863119 /nfs/dbraw/zinc/86/31/19/712863119.db2.gz SIVSFEYXXXCTCC-NXEZZACHSA-N 1 0 225.336 0.346 20 30 BCEDRO CC/C=C(/C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000381499620 710648266 /nfs/dbraw/zinc/64/82/66/710648266.db2.gz CBXLDTLLKFSJKZ-YXCTTXFESA-N 1 0 207.277 0.570 20 30 BCEDRO CCC(C)(C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000381554770 710654420 /nfs/dbraw/zinc/65/44/20/710654420.db2.gz OFPBPLWOLKBJCW-IUCAKERBSA-N 1 0 209.293 0.650 20 30 BCEDRO CCCSCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000381622211 710662801 /nfs/dbraw/zinc/66/28/01/710662801.db2.gz CYDUWIXDWIQQAJ-RKDXNWHRSA-N 1 0 227.333 0.357 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cncc(F)c2)C1 ZINC001018704811 710667830 /nfs/dbraw/zinc/66/78/30/710667830.db2.gz UWEVENQUJLVDMF-LBPRGKRZSA-N 1 0 247.273 0.658 20 30 BCEDRO CC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001018747408 710668779 /nfs/dbraw/zinc/66/87/79/710668779.db2.gz DVDGZTQHCPMXLX-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccnn2CC)C1 ZINC001018760830 710669579 /nfs/dbraw/zinc/66/95/79/710669579.db2.gz KKTBUDIFFBRBDA-NSHDSACASA-N 1 0 246.314 0.340 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H]2OCC)C1 ZINC001019999214 710673827 /nfs/dbraw/zinc/67/38/27/710673827.db2.gz GJKKNTCCJAKXHG-BJDJZHNGSA-N 1 0 238.331 0.834 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cncn1C ZINC001038475016 710689684 /nfs/dbraw/zinc/68/96/84/710689684.db2.gz ALPOYELLCVTAAV-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)c1nccc(C)n1 ZINC001038208235 710679502 /nfs/dbraw/zinc/67/95/02/710679502.db2.gz MBYSQLUSKDALFB-NSHDSACASA-N 1 0 246.314 0.775 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)C1CCOCC1 ZINC000381728515 710688610 /nfs/dbraw/zinc/68/86/10/710688610.db2.gz MYTNGHRTNPMPIO-SNVBAGLBSA-N 1 0 224.304 0.141 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001038818301 710708422 /nfs/dbraw/zinc/70/84/22/710708422.db2.gz RSYCZFPDXLHFHL-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001038842443 710709097 /nfs/dbraw/zinc/70/90/97/710709097.db2.gz SOKVHCOPKLNLQL-SECBINFHSA-N 1 0 235.291 0.185 20 30 BCEDRO C=CCN(C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000381816901 710722242 /nfs/dbraw/zinc/72/22/42/710722242.db2.gz JPUILMMNRXOZGP-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CC[N@H+]1CC[C@@]2(CCN(C(=O)COC)C2)C1 ZINC001040970317 710761468 /nfs/dbraw/zinc/76/14/68/710761468.db2.gz YRTOOYPGRCZTEI-CYBMUJFWSA-N 1 0 238.331 0.743 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]2CCN(C(C)=O)C[C@@H]21 ZINC001041868710 710769723 /nfs/dbraw/zinc/76/97/23/710769723.db2.gz LQYUWWKZZGDYSJ-STQMWFEESA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCN1CC[C@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001041877393 710771767 /nfs/dbraw/zinc/77/17/67/710771767.db2.gz CZQVIXCGCDXIFC-VHSXEESVSA-N 1 0 242.269 0.808 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000384192592 710813580 /nfs/dbraw/zinc/81/35/80/710813580.db2.gz HTTSSQMYOFZLIE-ZDUSSCGKSA-N 1 0 237.347 0.152 20 30 BCEDRO C=CCC[NH+]1CC(N(C)C(=O)Cc2cnc[nH]2)C1 ZINC001043976471 710816637 /nfs/dbraw/zinc/81/66/37/710816637.db2.gz OSALGCGMMMKJQH-UHFFFAOYSA-N 1 0 248.330 0.671 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)[C@@H](C)C1 ZINC001044780219 710831460 /nfs/dbraw/zinc/83/14/60/710831460.db2.gz DEZVGTGFFBEVAB-UWVGGRQHSA-N 1 0 249.318 0.573 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1CCN(OCC)CC1 ZINC000393879386 710818241 /nfs/dbraw/zinc/81/82/41/710818241.db2.gz KFZVTEWHLJUYNW-UHFFFAOYSA-N 1 0 241.335 0.294 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(F)F)[C@@H](C)C1 ZINC001044393538 710824020 /nfs/dbraw/zinc/82/40/20/710824020.db2.gz LRHAWIDFQPVBTI-IUCAKERBSA-N 1 0 230.258 0.854 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)COC)[C@H](C)C1 ZINC001044395532 710824407 /nfs/dbraw/zinc/82/44/07/710824407.db2.gz AURVGNCAYQBABT-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)[C@@H](C)C1 ZINC001044478107 710827952 /nfs/dbraw/zinc/82/79/52/710827952.db2.gz LIQUASPRSORNRX-WDEREUQCSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCO2)C1 ZINC001046124598 710849909 /nfs/dbraw/zinc/84/99/09/710849909.db2.gz XLWKBWRGRPTYIZ-YPMHNXCESA-N 1 0 236.315 0.379 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccnn2C)C1 ZINC001046182328 710854743 /nfs/dbraw/zinc/85/47/43/710854743.db2.gz GCNZRGLJLZAQGT-CYBMUJFWSA-N 1 0 246.314 0.248 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001046549656 710862211 /nfs/dbraw/zinc/86/22/11/710862211.db2.gz IZZBWDOBYVQRAM-GMXVVIOVSA-N 1 0 220.316 0.856 20 30 BCEDRO CC#CC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000801155637 710865926 /nfs/dbraw/zinc/86/59/26/710865926.db2.gz PJHYOGLZLHABQX-LLVKDONJSA-N 1 0 206.289 0.705 20 30 BCEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C1 ZINC001047308500 710870696 /nfs/dbraw/zinc/87/06/96/710870696.db2.gz MCYKVAWAOGSCIU-RYUDHWBXSA-N 1 0 240.347 0.722 20 30 BCEDRO C=CC[N@H+]1C[C@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C1 ZINC001048806655 710888129 /nfs/dbraw/zinc/88/81/29/710888129.db2.gz HCRWFLMPWMDEIM-PHIMTYICSA-N 1 0 246.314 0.600 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2)C[C@H]1C ZINC001054328009 710929649 /nfs/dbraw/zinc/92/96/49/710929649.db2.gz AYUPWHBYBNKFKL-DGCLKSJQSA-N 1 0 243.310 0.765 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C(C)(F)F)C[C@H]1C ZINC001054320691 710929840 /nfs/dbraw/zinc/92/98/40/710929840.db2.gz YLUIVSHTAGBVMY-BDAKNGLRSA-N 1 0 230.258 0.711 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C ZINC001054374648 710931418 /nfs/dbraw/zinc/93/14/18/710931418.db2.gz RTIMDWMMLAZECK-ZYHUDNBSSA-N 1 0 248.330 0.656 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ncoc2C)C[C@H]1C ZINC001054456540 710935209 /nfs/dbraw/zinc/93/52/09/710935209.db2.gz MZWGNUDJJLHACZ-KOLCDFICSA-N 1 0 247.298 0.666 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ncoc2C)C[C@@H]1C ZINC001054456543 710935239 /nfs/dbraw/zinc/93/52/39/710935239.db2.gz MZWGNUDJJLHACZ-ONGXEEELSA-N 1 0 247.298 0.666 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cncs2)C[C@@H]1C ZINC001054453377 710935252 /nfs/dbraw/zinc/93/52/52/710935252.db2.gz AWONKZATPGRMQJ-UWVGGRQHSA-N 1 0 249.339 0.826 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C)C[C@H]1C ZINC001054456542 710935265 /nfs/dbraw/zinc/93/52/65/710935265.db2.gz MZWGNUDJJLHACZ-MWLCHTKSSA-N 1 0 247.298 0.666 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1C ZINC001054482325 710936242 /nfs/dbraw/zinc/93/62/42/710936242.db2.gz MAPVURYEGUACLH-JQWIXIFHSA-N 1 0 249.314 0.840 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C ZINC001054482946 710936582 /nfs/dbraw/zinc/93/65/82/710936582.db2.gz UVUUIGRMOFOXHJ-GHMZBOCLSA-N 1 0 246.314 0.103 20 30 BCEDRO CC[NH2+][C@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001054646721 710940552 /nfs/dbraw/zinc/94/05/52/710940552.db2.gz AKYWWSLQJHZMNV-PWSUYJOCSA-N 1 0 220.316 0.856 20 30 BCEDRO C[C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1[NH2+]CCF ZINC001054655781 710940709 /nfs/dbraw/zinc/94/07/09/710940709.db2.gz JDCJZSZIPJJENW-JQWIXIFHSA-N 1 0 238.306 0.806 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1C ZINC001054641232 710940774 /nfs/dbraw/zinc/94/07/74/710940774.db2.gz GIDPBRWNHJNMEV-VHSXEESVSA-N 1 0 234.303 0.646 20 30 BCEDRO C#CC[NH+]1CCC2(CN(C(=O)CC)C2)CC1 ZINC001050398499 710953340 /nfs/dbraw/zinc/95/33/40/710953340.db2.gz CFXNXLTZVCFYIE-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO CC(C)[NH2+]C[C@H]1CN(C(=O)[C@H](C)C#N)CCO1 ZINC001051488614 710957953 /nfs/dbraw/zinc/95/79/53/710957953.db2.gz PDLAURQFMFBXGU-MNOVXSKESA-N 1 0 239.319 0.371 20 30 BCEDRO C#CCC[NH+]1CCN([C@@H]2CCN(C(C)=O)C2)CC1 ZINC001051963576 710959596 /nfs/dbraw/zinc/95/95/96/710959596.db2.gz XMFGNAGOYCVBHR-CQSZACIVSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnco2)CC1 ZINC001052605830 710965463 /nfs/dbraw/zinc/96/54/63/710965463.db2.gz OAVBOJKFVYRLSS-LLVKDONJSA-N 1 0 247.298 0.892 20 30 BCEDRO C#C[C@@](C)(CC)NC[C@H](O)C[N@@H+](C)CC ZINC000384130154 710988974 /nfs/dbraw/zinc/98/89/74/710988974.db2.gz AIXDSUOYPCTWHX-RYUDHWBXSA-N 1 0 212.337 0.691 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N(C)C1CC1 ZINC000384178857 710991516 /nfs/dbraw/zinc/99/15/16/710991516.db2.gz PFMRFCIWBVEKQS-LBPRGKRZSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCSCC[C@@H]1C ZINC000385159966 711006263 /nfs/dbraw/zinc/00/62/63/711006263.db2.gz BBUBMJXSWMMKQG-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO CCC1(CNC(NC)=[NH+]C)CCOCC1 ZINC000386100787 711021949 /nfs/dbraw/zinc/02/19/49/711021949.db2.gz JSHDLZZWJZHDEV-UHFFFAOYSA-N 1 0 213.325 0.988 20 30 BCEDRO C#C[C@](C)(CC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000387182283 711041689 /nfs/dbraw/zinc/04/16/89/711041689.db2.gz DSIXRZJHCSDMCE-CMPLNLGQSA-N 1 0 208.305 0.856 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000388194422 711053232 /nfs/dbraw/zinc/05/32/32/711053232.db2.gz NOHHVKYNDSHDMH-UWVGGRQHSA-N 1 0 212.293 0.618 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000389404642 711078537 /nfs/dbraw/zinc/07/85/37/711078537.db2.gz KJWLESJLFNIJRR-KXUCPTDWSA-N 1 0 212.293 0.664 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH+]1CCCC1 ZINC000389509337 711080729 /nfs/dbraw/zinc/08/07/29/711080729.db2.gz IJDWMDFBWZWWGA-NSHDSACASA-N 1 0 211.309 0.289 20 30 BCEDRO C#CCCC[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000389862594 711093659 /nfs/dbraw/zinc/09/36/59/711093659.db2.gz FFNRGBFQUQCSBQ-WDEREUQCSA-N 1 0 208.305 0.904 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CCC[C@@H](C#N)C1 ZINC000390610672 711128093 /nfs/dbraw/zinc/12/80/93/711128093.db2.gz ZPCNDJPZAKNGSK-NWDGAFQWSA-N 1 0 225.336 0.535 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1cncnc1 ZINC000392815129 711152209 /nfs/dbraw/zinc/15/22/09/711152209.db2.gz OWOGETJKTDEFAY-UHFFFAOYSA-N 1 0 218.304 0.521 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1ccn(C)n1 ZINC000392780631 711152694 /nfs/dbraw/zinc/15/26/94/711152694.db2.gz ZGQFPLDZSHEMHY-UHFFFAOYSA-N 1 0 234.303 0.105 20 30 BCEDRO C#CC[N@H+]1CC[C@]2(C1)CN(C(C)=O)C[C@@H](C)O2 ZINC001071107825 711166615 /nfs/dbraw/zinc/16/66/15/711166615.db2.gz ONXRJDUFZYRAMF-YPMHNXCESA-N 1 0 236.315 0.331 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1OC ZINC000393834184 711177378 /nfs/dbraw/zinc/17/73/78/711177378.db2.gz ONJUVHBZNWEVMN-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO CCNC(NC[C@@H](CO)C(C)C)=[NH+]CC ZINC000394114345 711185061 /nfs/dbraw/zinc/18/50/61/711185061.db2.gz QPFBBHZOLRLMHW-JTQLQIEISA-N 1 0 215.341 0.826 20 30 BCEDRO C#CCN(C)CCC[NH2+]Cc1c(C)cnn1C ZINC000394828518 711198453 /nfs/dbraw/zinc/19/84/53/711198453.db2.gz LWAWRDIMOPZDKE-UHFFFAOYSA-N 1 0 234.347 0.773 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCN1CCOCC1 ZINC000395154204 711203304 /nfs/dbraw/zinc/20/33/04/711203304.db2.gz POYWVXKRIRSYDQ-GFCCVEGCSA-N 1 0 210.321 0.710 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)NC(=O)NC ZINC000395134782 711203631 /nfs/dbraw/zinc/20/36/31/711203631.db2.gz HVKTXBXKLCFHJH-KCJUWKMLSA-N 1 0 225.292 0.222 20 30 BCEDRO CC[C@H](C)[C@@H](CNC(NC)=[NH+]C)OC ZINC000395135147 711203712 /nfs/dbraw/zinc/20/37/12/711203712.db2.gz CKBBNRVABSKZPF-DTWKUNHWSA-N 1 0 201.314 0.842 20 30 BCEDRO C#CCCC[NH2+]Cc1ccnc(OC)n1 ZINC000395252601 711206134 /nfs/dbraw/zinc/20/61/34/711206134.db2.gz ZFASKOUNIUJDDJ-UHFFFAOYSA-N 1 0 205.261 0.988 20 30 BCEDRO CCNC(NCc1cccnn1)=[NH+]CC ZINC000395534825 711211465 /nfs/dbraw/zinc/21/14/65/711211465.db2.gz ISSMMRHYDCWNJB-UHFFFAOYSA-N 1 0 207.281 0.552 20 30 BCEDRO CCNC(NCC1(O)CCOCC1)=[NH+]CC ZINC000395556247 711212702 /nfs/dbraw/zinc/21/27/02/711212702.db2.gz DMIRAYHWJGNXTE-UHFFFAOYSA-N 1 0 229.324 0.103 20 30 BCEDRO CCNC(NC[C@@H](OC)C1CC1)=[NH+]CC ZINC000395541776 711213016 /nfs/dbraw/zinc/21/30/16/711213016.db2.gz BDDOQBMUATYLMA-SNVBAGLBSA-N 1 0 213.325 0.986 20 30 BCEDRO CCNC(NCC[S@](=O)CC)=[NH+]CC ZINC000395542059 711213150 /nfs/dbraw/zinc/21/31/50/711213150.db2.gz NLDLWDSXSLVJKK-CQSZACIVSA-N 1 0 219.354 0.330 20 30 BCEDRO CCNC(NCC[C@@H](C)OC)=[NH+]CC ZINC000395803632 711215358 /nfs/dbraw/zinc/21/53/58/711215358.db2.gz GIHXCUCZWWDIJV-SECBINFHSA-N 1 0 201.314 0.986 20 30 BCEDRO CN1CC[NH+]=C1NCCCOC(F)F ZINC000398274824 711406998 /nfs/dbraw/zinc/40/69/98/711406998.db2.gz WWHOJCWDIRJSDV-UHFFFAOYSA-N 1 0 207.224 0.507 20 30 BCEDRO C=CCC[N@@H+]1CCCO[C@@H](CNC(C)=O)C1 ZINC001073506097 711439576 /nfs/dbraw/zinc/43/95/76/711439576.db2.gz OUIVINIQMPPAJL-LBPRGKRZSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccsn2)C1 ZINC001014873823 710612578 /nfs/dbraw/zinc/61/25/78/710612578.db2.gz FGELFLVDYOFQPK-JTQLQIEISA-N 1 0 249.339 0.971 20 30 BCEDRO C#C[C@H]([NH2+]CCOCCOC)[C@H]1CCCO1 ZINC000381350298 710624819 /nfs/dbraw/zinc/62/48/19/710624819.db2.gz ASZXQYYKNHIPMG-NWDGAFQWSA-N 1 0 227.304 0.420 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCS(=O)(=O)CC ZINC000384129530 710640961 /nfs/dbraw/zinc/64/09/61/710640961.db2.gz ACNGWFMGGTUZDX-SNVBAGLBSA-N 1 0 217.334 0.813 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1CCCC1 ZINC000381480118 710643721 /nfs/dbraw/zinc/64/37/21/710643721.db2.gz CNQHOUREWJCDCB-ZJUUUORDSA-N 1 0 207.277 0.404 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001019997469 710673586 /nfs/dbraw/zinc/67/35/86/710673586.db2.gz HPYHVYRPCRPKTI-SRVKXCTJSA-N 1 0 246.314 0.314 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038599598 710697966 /nfs/dbraw/zinc/69/79/66/710697966.db2.gz IRABNICKNVUMKM-WYUUTHIRSA-N 1 0 236.315 0.255 20 30 BCEDRO C=C1CCC(CNS(=O)(=O)C2C[NH2+]C2)CC1 ZINC000724464035 710740592 /nfs/dbraw/zinc/74/05/92/710740592.db2.gz FONRYRVUEMJDOD-UHFFFAOYSA-N 1 0 244.360 0.624 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)C(N)=O)[C@H](C)C1 ZINC001044722652 710829455 /nfs/dbraw/zinc/82/94/55/710829455.db2.gz OAXOYWGMWDMXRB-NXEZZACHSA-N 1 0 239.319 0.017 20 30 BCEDRO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ccn[nH]2)C1 ZINC001046158884 710852114 /nfs/dbraw/zinc/85/21/14/710852114.db2.gz QLKCZKYFCCGEFW-ZDUSSCGKSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046166178 710852240 /nfs/dbraw/zinc/85/22/40/710852240.db2.gz YARSKICHMJMMQQ-LBPRGKRZSA-N 1 0 232.287 0.237 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)C2=CCOCC2)C1 ZINC001046258862 710855752 /nfs/dbraw/zinc/85/57/52/710855752.db2.gz ARSHEZIAXYSDKJ-AWEZNQCLSA-N 1 0 248.326 0.547 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@](C)(NC(=O)c2cn[nH]n2)C1 ZINC001046439730 710859957 /nfs/dbraw/zinc/85/99/57/710859957.db2.gz ZQTDWOKPNBHIDH-LBPRGKRZSA-N 1 0 249.318 0.575 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cn[nH]n2)C1 ZINC001046439605 710860335 /nfs/dbraw/zinc/86/03/35/710860335.db2.gz XODRSAXSDSTJEV-LLVKDONJSA-N 1 0 235.291 0.185 20 30 BCEDRO C#CCCC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903103430 710890794 /nfs/dbraw/zinc/89/07/94/710890794.db2.gz HVFIUVCYBPAWQC-NWDGAFQWSA-N 1 0 209.289 0.937 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)c2nnc[nH]2)CC1 ZINC001052801091 710917913 /nfs/dbraw/zinc/91/79/13/710917913.db2.gz RFUBWYIAPOMOET-JTQLQIEISA-N 1 0 247.302 0.022 20 30 BCEDRO C#CC[N@H+]1CC[C@]2(C1)CCCN(C(C)=O)C2 ZINC001054060795 710922111 /nfs/dbraw/zinc/92/21/11/710922111.db2.gz RSUAYKVNVRINJE-ZDUSSCGKSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cccn2C)C[C@H]1C ZINC001054396280 710934031 /nfs/dbraw/zinc/93/40/31/710934031.db2.gz OXKLAHOGNPTDDQ-VXGBXAGGSA-N 1 0 245.326 0.708 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C ZINC001054440816 710934650 /nfs/dbraw/zinc/93/46/50/710934650.db2.gz SWEZIUABOKVJGB-MWLCHTKSSA-N 1 0 232.287 0.093 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001054843000 710941442 /nfs/dbraw/zinc/94/14/42/710941442.db2.gz ZURPMQNLTMINJO-WCBMZHEXSA-N 1 0 235.291 0.041 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001054842999 710941461 /nfs/dbraw/zinc/94/14/61/710941461.db2.gz ZURPMQNLTMINJO-SCZZXKLOSA-N 1 0 235.291 0.041 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C ZINC001054669329 710941487 /nfs/dbraw/zinc/94/14/87/710941487.db2.gz CCRCYNGKXOGBMV-ZYHUDNBSSA-N 1 0 231.299 0.698 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C ZINC001054997603 710943650 /nfs/dbraw/zinc/94/36/50/710943650.db2.gz QOUNZVRNXAMFBM-ZYHUDNBSSA-N 1 0 249.314 0.840 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](C)[C@H]1CC ZINC000383610476 710984863 /nfs/dbraw/zinc/98/48/63/710984863.db2.gz MXIHZDFIAUQHDQ-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO Cc1n[nH]cc1CCCNC1=[NH+]CCCN1C ZINC000386528911 711032141 /nfs/dbraw/zinc/03/21/41/711032141.db2.gz ACLOFHFIFKDRQS-UHFFFAOYSA-N 1 0 235.335 0.932 20 30 BCEDRO CCC[C@H](CCO)CNC(NC)=[NH+]C ZINC000395197796 711204580 /nfs/dbraw/zinc/20/45/80/711204580.db2.gz QOIHKKWCFMQMGJ-SECBINFHSA-N 1 0 201.314 0.580 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)C3CCC3)C2)C1 ZINC001072386409 711364072 /nfs/dbraw/zinc/36/40/72/711364072.db2.gz GYRXBFSHOZXTEU-UHFFFAOYSA-N 1 0 232.327 0.954 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCCO3)C2)C1 ZINC001072440311 711373291 /nfs/dbraw/zinc/37/32/91/711373291.db2.gz ZYOKXJKALDLQGP-LBPRGKRZSA-N 1 0 248.326 0.333 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@H](C)[C@@H](C)[C@H]1C ZINC000399532178 711432231 /nfs/dbraw/zinc/43/22/31/711432231.db2.gz SQKOEKFJDAKSCC-HBNTYKKESA-N 1 0 208.305 0.712 20 30 BCEDRO C=CC[N@@H+]1CCC2(CN(C(=O)c3cnon3)C2)C1 ZINC001073068205 711435030 /nfs/dbraw/zinc/43/50/30/711435030.db2.gz FUPSOCYRKVOYKJ-UHFFFAOYSA-N 1 0 248.286 0.404 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC23CC3)[C@H]1C ZINC001074915595 711444706 /nfs/dbraw/zinc/44/47/06/711444706.db2.gz PFMGZQLPRQCDIM-SRVKXCTJSA-N 1 0 232.327 0.999 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cnn(C)c2)C1 ZINC000969242630 711453355 /nfs/dbraw/zinc/45/33/55/711453355.db2.gz JHIVJUZNKMYIGQ-SNVBAGLBSA-N 1 0 248.330 0.656 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccnc2C)C1 ZINC001020529353 711458379 /nfs/dbraw/zinc/45/83/79/711458379.db2.gz NCNIDCQHRBDZII-HAQNSBGRSA-N 1 0 243.310 0.874 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000971024710 711494899 /nfs/dbraw/zinc/49/48/99/711494899.db2.gz IUSZYNYGBVGACJ-VXGBXAGGSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C=C2CCC2)C1 ZINC001021952584 711510743 /nfs/dbraw/zinc/51/07/43/711510743.db2.gz IEHIXNAHYBLDFB-TXEJJXNPSA-N 1 0 218.300 0.967 20 30 BCEDRO C#CCC[NH2+][C@H]1C(=O)NCC1(CC)CC ZINC000933287265 711511028 /nfs/dbraw/zinc/51/10/28/711511028.db2.gz WERHAVPXTBACPG-JTQLQIEISA-N 1 0 208.305 0.904 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000971502180 711521143 /nfs/dbraw/zinc/52/11/43/711521143.db2.gz MPSXCSXCNRFTKE-JTQLQIEISA-N 1 0 232.287 0.189 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000132034325 711554888 /nfs/dbraw/zinc/55/48/88/711554888.db2.gz DGOZLUVQVDKSCF-PHIMTYICSA-N 1 0 206.289 0.468 20 30 BCEDRO CC[C@H](O)CN[NH+]=C(C)c1ccc(N)nc1 ZINC000382385617 711573324 /nfs/dbraw/zinc/57/33/24/711573324.db2.gz KQPSWNWGWQVCQK-JTQLQIEISA-N 1 0 222.292 0.579 20 30 BCEDRO C#C[C@@H]([NH2+]CC1(O)CCC1)[C@@H]1CCCO1 ZINC000308899027 711574218 /nfs/dbraw/zinc/57/42/18/711574218.db2.gz BIJKCILELJILSD-MNOVXSKESA-N 1 0 209.289 0.672 20 30 BCEDRO CC#CC[N@H+]1C[C@@H]2CCN(C(=O)COC)[C@@H]2C1 ZINC001075462597 711615482 /nfs/dbraw/zinc/61/54/82/711615482.db2.gz AESITBVEQNVZPF-NWDGAFQWSA-N 1 0 236.315 0.189 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1cncc(C#N)c1 ZINC000721539439 711620206 /nfs/dbraw/zinc/62/02/06/711620206.db2.gz MAEAZWHIASVJKX-JTQLQIEISA-N 1 0 246.314 0.767 20 30 BCEDRO C#C[C@@H]([NH2+]CCOCC=C)[C@H]1CCCO1 ZINC000382290131 711621094 /nfs/dbraw/zinc/62/10/94/711621094.db2.gz KSSPVZCSXKPTIH-VXGBXAGGSA-N 1 0 209.289 0.959 20 30 BCEDRO C#C[C@@H]([NH2+]CCOCC=C)[C@@H]1CCCO1 ZINC000382290122 711621418 /nfs/dbraw/zinc/62/14/18/711621418.db2.gz KSSPVZCSXKPTIH-NEPJUHHUSA-N 1 0 209.289 0.959 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@H]1CCOC(C)(C)C1 ZINC000717793377 711622304 /nfs/dbraw/zinc/62/23/04/711622304.db2.gz HQAGZMSROAFVCW-QWRGUYRKSA-N 1 0 211.305 0.918 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001006881796 711656089 /nfs/dbraw/zinc/65/60/89/711656089.db2.gz NQBORKCSDBOWMG-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO CC[C@@H](C)[N@H+](CCO)CC(=O)NCCC#N ZINC000309328456 711674709 /nfs/dbraw/zinc/67/47/09/711674709.db2.gz RUPLFYSDQIEOFR-SNVBAGLBSA-N 1 0 227.308 0.109 20 30 BCEDRO C=CCONC(=O)CC[NH2+]C(C)(C)C ZINC000395713841 711697040 /nfs/dbraw/zinc/69/70/40/711697040.db2.gz FAPJRIZXERPMSY-UHFFFAOYSA-N 1 0 200.282 0.998 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000390406976 711707147 /nfs/dbraw/zinc/70/71/47/711707147.db2.gz BXXHETFIKQYCBH-WDEREUQCSA-N 1 0 246.376 0.127 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000334979109 711719591 /nfs/dbraw/zinc/71/95/91/711719591.db2.gz CNEVBXIXPPCJAU-LLVKDONJSA-N 1 0 244.360 0.720 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)CC)C1 ZINC001027257191 711721762 /nfs/dbraw/zinc/72/17/62/711721762.db2.gz QUWGAURWHVIPTF-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)C(F)F)C1 ZINC001009813732 711731694 /nfs/dbraw/zinc/73/16/94/711731694.db2.gz JHBMLOSZDGAIKS-QMMMGPOBSA-N 1 0 216.231 0.465 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001027897323 711743028 /nfs/dbraw/zinc/74/30/28/711743028.db2.gz KXEJPBLYLAPIQV-GFCCVEGCSA-N 1 0 231.299 0.842 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)OC)[C@@H]2C1 ZINC001075590839 711747426 /nfs/dbraw/zinc/74/74/26/711747426.db2.gz IIVUVOKBJNEJKA-SDDRHHMPSA-N 1 0 238.331 0.740 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccnnc2)C1 ZINC001028827150 711767790 /nfs/dbraw/zinc/76/77/90/711767790.db2.gz OYBAMRRUXNMTTH-NSHDSACASA-N 1 0 244.298 0.162 20 30 BCEDRO CNC(=O)C(C)(C)CNC(=[NH2+])N(C)C1CC1 ZINC000305840544 711773136 /nfs/dbraw/zinc/77/31/36/711773136.db2.gz YWGRAJHSJBMENJ-UHFFFAOYSA-N 1 0 226.324 0.168 20 30 BCEDRO CC(C)(O)[C@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000721836062 711779671 /nfs/dbraw/zinc/77/96/71/711779671.db2.gz XPCYYJWPHHFCIT-JTQLQIEISA-N 1 0 239.319 0.109 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccnn1C ZINC001038103667 711781598 /nfs/dbraw/zinc/78/15/98/711781598.db2.gz OCQMCIQMEVXMND-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cncn2C)[C@@H]1C ZINC000986494895 711788404 /nfs/dbraw/zinc/78/84/04/711788404.db2.gz INRQHDCXUBRHEP-MNOVXSKESA-N 1 0 246.314 0.246 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872214507 711789388 /nfs/dbraw/zinc/78/93/88/711789388.db2.gz YZBDVMWOONFVRA-MNOVXSKESA-N 1 0 231.336 0.425 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2n[nH]nc2C)[C@@H]1C ZINC000986646712 711789683 /nfs/dbraw/zinc/78/96/83/711789683.db2.gz YFWVXWXBICXQGT-ZJUUUORDSA-N 1 0 249.318 0.492 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc[nH]n2)C1 ZINC000988165165 711793004 /nfs/dbraw/zinc/79/30/04/711793004.db2.gz JMWZDLFSMXFFMJ-VHSXEESVSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000160342124 711806669 /nfs/dbraw/zinc/80/66/69/711806669.db2.gz WPBOCOYDVNCXON-JTQLQIEISA-N 1 0 210.277 0.830 20 30 BCEDRO Cc1ccc(C(=O)NCC#CC[NH+](C)C)nn1 ZINC000913523159 711823157 /nfs/dbraw/zinc/82/31/57/711823157.db2.gz NVCFKDPYPMRZOJ-UHFFFAOYSA-N 1 0 232.287 0.080 20 30 BCEDRO COc1ccc(C(=O)NCC#CC[NH+](C)C)cc1 ZINC000913514111 711823286 /nfs/dbraw/zinc/82/32/86/711823286.db2.gz FIQVSIWOSVSAQD-UHFFFAOYSA-N 1 0 246.310 0.990 20 30 BCEDRO COc1cccc(C(=O)NCC#CC[NH+](C)C)c1 ZINC000913514364 711823577 /nfs/dbraw/zinc/82/35/77/711823577.db2.gz NUBKTVQPWZPJJH-UHFFFAOYSA-N 1 0 246.310 0.990 20 30 BCEDRO C=C(C)CCN1CC(NC(=O)c2cncnc2)C1 ZINC001030242002 711829402 /nfs/dbraw/zinc/82/94/02/711829402.db2.gz IJFQIPZHHYZFSV-UHFFFAOYSA-N 1 0 246.314 0.857 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H](C)COC ZINC000170911019 711837915 /nfs/dbraw/zinc/83/79/15/711837915.db2.gz GIZDHSHFZBHYKE-DTWKUNHWSA-N 1 0 217.313 0.208 20 30 BCEDRO COC[C@@H](C)CNC(=[NH2+])N[C@@H](C)COC ZINC000170911015 711837924 /nfs/dbraw/zinc/83/79/24/711837924.db2.gz GIZDHSHFZBHYKE-IUCAKERBSA-N 1 0 217.313 0.208 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000996897639 711913303 /nfs/dbraw/zinc/91/33/03/711913303.db2.gz AUCVJOVWPBSEDL-ITGUQSILSA-N 1 0 248.326 0.093 20 30 BCEDRO C=C1CC(C)(C(=O)N[C@@H]2C[N@H+](CC)C[C@H]2O)C1 ZINC001077645661 711913438 /nfs/dbraw/zinc/91/34/38/711913438.db2.gz QXVLEMXAWKRKMC-GHMZBOCLSA-N 1 0 238.331 0.524 20 30 BCEDRO N#Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000085283636 711932116 /nfs/dbraw/zinc/93/21/16/711932116.db2.gz OWZIWVDNYQTCGF-NXEZZACHSA-N 1 0 214.272 0.609 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cnon1 ZINC001032691264 711932934 /nfs/dbraw/zinc/93/29/34/711932934.db2.gz RTJFCGJYBQUIBM-UWVGGRQHSA-N 1 0 248.286 0.544 20 30 BCEDRO C=CCN1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783829 711939805 /nfs/dbraw/zinc/93/98/05/711939805.db2.gz UUOSEDMYEUGKEU-STQMWFEESA-N 1 0 249.358 0.553 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1cnn(C)n1 ZINC000382424838 711940101 /nfs/dbraw/zinc/94/01/01/711940101.db2.gz XVUFDIQELAEILC-SECBINFHSA-N 1 0 210.281 0.089 20 30 BCEDRO CC1(C)C[NH2+]C[C@@H]1Nc1ccnc(C#N)n1 ZINC000721944831 711945673 /nfs/dbraw/zinc/94/56/73/711945673.db2.gz UXELGGJHPCRMDC-QMMMGPOBSA-N 1 0 217.276 0.180 20 30 BCEDRO CC1(C)C[NH2+]C[C@@H]1Nc1cncc(C#N)n1 ZINC000721955448 711948098 /nfs/dbraw/zinc/94/80/98/711948098.db2.gz WGNCFYKKXFKUBO-VIFPVBQESA-N 1 0 217.276 0.758 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001038083591 711952681 /nfs/dbraw/zinc/95/26/81/711952681.db2.gz QVOSBWZPIYPIRS-JTQLQIEISA-N 1 0 232.287 0.237 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001032944499 711968911 /nfs/dbraw/zinc/96/89/11/711968911.db2.gz YPUMARQZLOWBGO-RYUDHWBXSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cocn2)C1 ZINC001032956859 711969606 /nfs/dbraw/zinc/96/96/06/711969606.db2.gz KGAFIMCIUODSJS-LLVKDONJSA-N 1 0 247.298 0.844 20 30 BCEDRO C#CCN1CC[C@@H](N(C)C(=O)c2cnco2)C1 ZINC001033302792 711981663 /nfs/dbraw/zinc/98/16/63/711981663.db2.gz IWQPDGQFVDIZQS-SNVBAGLBSA-N 1 0 233.271 0.454 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2n[nH]nc2C)C1 ZINC001033320044 711982236 /nfs/dbraw/zinc/98/22/36/711982236.db2.gz YLHMLMNUPMTBPH-SNVBAGLBSA-N 1 0 249.318 0.445 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC23CC3)C1 ZINC001033450125 711992287 /nfs/dbraw/zinc/99/22/87/711992287.db2.gz RDDGBMLNESBPHZ-RYUDHWBXSA-N 1 0 232.327 0.952 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cnon2)C1 ZINC001033520237 711998905 /nfs/dbraw/zinc/99/89/05/711998905.db2.gz CJRFEYGIJJPZCF-SNVBAGLBSA-N 1 0 248.286 0.239 20 30 BCEDRO C#CCN1CC[C@H](N(C)C(=O)c2cccnn2)C1 ZINC001033526276 711999529 /nfs/dbraw/zinc/99/95/29/711999529.db2.gz KJOQZQFYBVCNOY-NSHDSACASA-N 1 0 244.298 0.256 20 30 BCEDRO C#CCN1CC[C@@H](N(C)C(=O)c2cccnn2)C1 ZINC001033526274 711999722 /nfs/dbraw/zinc/99/97/22/711999722.db2.gz KJOQZQFYBVCNOY-LLVKDONJSA-N 1 0 244.298 0.256 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001033542788 712003797 /nfs/dbraw/zinc/00/37/97/712003797.db2.gz GSJUJCLOMKOPKZ-LLVKDONJSA-N 1 0 246.314 0.118 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702295164 712043292 /nfs/dbraw/zinc/04/32/92/712043292.db2.gz GEVFPVBDBWQILT-QWRGUYRKSA-N 1 0 221.304 0.843 20 30 BCEDRO C=C[C@H](C(=O)OC)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702276939 712044868 /nfs/dbraw/zinc/04/48/68/712044868.db2.gz YSKGGGQFTQTISH-DMDPSCGWSA-N 1 0 238.331 0.598 20 30 BCEDRO C[N@@H+]1C[C@@H]2CN(c3cc(C#N)cnn3)C[C@]2(C)C1 ZINC000702465003 712053732 /nfs/dbraw/zinc/05/37/32/712053732.db2.gz LTUOZXGYBXWVNP-YPMHNXCESA-N 1 0 243.314 0.736 20 30 BCEDRO C[N@@H+]1C[C@@H]2CN(C(=O)C(C)(C)C#N)C[C@]2(C)C1 ZINC000702477903 712054230 /nfs/dbraw/zinc/05/42/30/712054230.db2.gz IMLKGMSLNFUPGM-MFKMUULPSA-N 1 0 235.331 0.946 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000702957843 712061852 /nfs/dbraw/zinc/06/18/52/712061852.db2.gz JAWYZTLBPRZQJV-SNVBAGLBSA-N 1 0 230.333 0.023 20 30 BCEDRO C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ncc[nH]2)CC1 ZINC001034640954 712076671 /nfs/dbraw/zinc/07/66/71/712076671.db2.gz KLKRXYCXLZQKFH-XYPYZODXSA-N 1 0 246.314 0.674 20 30 BCEDRO C=CC[C@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000703692086 712083765 /nfs/dbraw/zinc/08/37/65/712083765.db2.gz XKDPJVLMQTVUBF-JTQLQIEISA-N 1 0 244.360 0.576 20 30 BCEDRO N#Cc1ccc(CC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000704663902 712112481 /nfs/dbraw/zinc/11/24/81/712112481.db2.gz DAVONFIGWFTZTP-GFCCVEGCSA-N 1 0 229.283 0.660 20 30 BCEDRO CN(C(=O)Cc1ccc(C#N)cc1)[C@H]1CC[NH2+]C1 ZINC000704665432 712114290 /nfs/dbraw/zinc/11/42/90/712114290.db2.gz MSUKSTSFTRIRKL-ZDUSSCGKSA-N 1 0 243.310 0.921 20 30 BCEDRO C=CC(C)(C)CCNC(=O)[C@@H](N)C[NH+](C)C ZINC000705323150 712128741 /nfs/dbraw/zinc/12/87/41/712128741.db2.gz FJYCWMNRZFIUPL-JTQLQIEISA-N 1 0 227.352 0.594 20 30 BCEDRO CC#CC[NH+]1CC2(C1)CCN(C(C)=O)CC2 ZINC001035631380 712138038 /nfs/dbraw/zinc/13/80/38/712138038.db2.gz FTBLZEZSADGBJU-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)COC)C[C@@H]1C ZINC001035871309 712148731 /nfs/dbraw/zinc/14/87/31/712148731.db2.gz WPHKMKDOFDGQLV-QWRGUYRKSA-N 1 0 224.304 0.093 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccon2)C[C@H]1C ZINC001035930705 712150487 /nfs/dbraw/zinc/15/04/87/712150487.db2.gz VQVPEHKZCLFOLV-GHMZBOCLSA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001036027254 712153488 /nfs/dbraw/zinc/15/34/88/712153488.db2.gz IHVJXEXXGSTNMQ-GXTWGEPZSA-N 1 0 244.338 0.860 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnco2)C[C@@H]1C ZINC001036136863 712159738 /nfs/dbraw/zinc/15/97/38/712159738.db2.gz SXJGCTPZYVDXNZ-QWRGUYRKSA-N 1 0 247.298 0.748 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H]2C[C@H]21 ZINC000706966612 712161164 /nfs/dbraw/zinc/16/11/64/712161164.db2.gz KYIFNGBZWPQLIF-WDEREUQCSA-N 1 0 221.304 0.843 20 30 BCEDRO C[N@@H+]1C[C@@]2(C)CN(C(=O)CC#N)C[C@@]2(C)C1 ZINC000706957011 712163631 /nfs/dbraw/zinc/16/36/31/712163631.db2.gz BLKXYMWGCIIWSR-TXEJJXNPSA-N 1 0 221.304 0.700 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnon2)C[C@H]1C ZINC001036228219 712164626 /nfs/dbraw/zinc/16/46/26/712164626.db2.gz JBFAGTIDEZEPJM-NXEZZACHSA-N 1 0 248.286 0.143 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001036219152 712164747 /nfs/dbraw/zinc/16/47/47/712164747.db2.gz NFVBXUQRCMEEJJ-ZJUUUORDSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnon2)C[C@@H]1C ZINC001036228220 712164873 /nfs/dbraw/zinc/16/48/73/712164873.db2.gz JBFAGTIDEZEPJM-UWVGGRQHSA-N 1 0 248.286 0.143 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@H](C)C[NH3+] ZINC000707269813 712167998 /nfs/dbraw/zinc/16/79/98/712167998.db2.gz JRDKJGUYDVZPOG-SECBINFHSA-N 1 0 228.292 0.159 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCNC(=O)CC1(C)C ZINC000708100508 712181424 /nfs/dbraw/zinc/18/14/24/712181424.db2.gz KVGHSRGCGNMUCV-SNVBAGLBSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CC1(O)CC[NH+](CCO[C@H]2CC2(F)F)CC1 ZINC000708101927 712182017 /nfs/dbraw/zinc/18/20/17/712182017.db2.gz HLUBVNICPFVJJK-JTQLQIEISA-N 1 0 245.269 0.871 20 30 BCEDRO C=CCCCN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708561287 712212592 /nfs/dbraw/zinc/21/25/92/712212592.db2.gz CERPHNURUUZLDY-GFCCVEGCSA-N 1 0 212.337 0.999 20 30 BCEDRO CCOC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000709426398 712221705 /nfs/dbraw/zinc/22/17/05/712221705.db2.gz GJSAALSHFGLRHW-DTWKUNHWSA-N 1 0 241.291 0.075 20 30 BCEDRO C=C(Cl)CNC(=O)CCC1C[NH2+]C1 ZINC000709469255 712222292 /nfs/dbraw/zinc/22/22/92/712222292.db2.gz GWNCOYXZNTVACA-UHFFFAOYSA-N 1 0 202.685 0.855 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC)CC[C@H]21 ZINC001036608518 712223799 /nfs/dbraw/zinc/22/37/99/712223799.db2.gz MDRZLUIIUXDWBT-VXGBXAGGSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2CN(C(=O)C3CC3)CC[C@@H]21 ZINC001036614158 712226097 /nfs/dbraw/zinc/22/60/97/712226097.db2.gz RDSAFFDMJVPDIV-STQMWFEESA-N 1 0 232.327 0.952 20 30 BCEDRO C#CCCS(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000710843044 712258864 /nfs/dbraw/zinc/25/88/64/712258864.db2.gz QZNLNWINSHBMNQ-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO C=CCCS(=O)(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000710883231 712261108 /nfs/dbraw/zinc/26/11/08/712261108.db2.gz RBJONPQTHXWAEM-QWRGUYRKSA-N 1 0 244.360 0.767 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[NH2+]C1(C)C ZINC000710913766 712263284 /nfs/dbraw/zinc/26/32/84/712263284.db2.gz WJKKWKSOZWLSGS-SECBINFHSA-N 1 0 232.349 0.622 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](O)(CC)C1 ZINC000710625711 712263912 /nfs/dbraw/zinc/26/39/12/712263912.db2.gz CNMCEULRNVJRKP-AAEUAGOBSA-N 1 0 238.331 0.361 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1COC[C@@H]1C ZINC000710949810 712267157 /nfs/dbraw/zinc/26/71/57/712267157.db2.gz NSSOHFIIEHZDQT-LPEHRKFASA-N 1 0 212.293 0.302 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1COC[C@@H]1C ZINC000710949808 712267201 /nfs/dbraw/zinc/26/72/01/712267201.db2.gz NSSOHFIIEHZDQT-GUBZILKMSA-N 1 0 212.293 0.302 20 30 BCEDRO C#CCCS(=O)(=O)N(CC[NH+](C)C)C(C)C ZINC000711016815 712275210 /nfs/dbraw/zinc/27/52/10/712275210.db2.gz UKWXVMHUNJRFCF-UHFFFAOYSA-N 1 0 246.376 0.612 20 30 BCEDRO C#CCCS(=O)(=O)NCC[NH+]1CCCCC1 ZINC000711064504 712278152 /nfs/dbraw/zinc/27/81/52/712278152.db2.gz AROVRDDBPMHJHY-UHFFFAOYSA-N 1 0 244.360 0.415 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711375747 712295605 /nfs/dbraw/zinc/29/56/05/712295605.db2.gz HEJXBIVGKBDGHU-VHSXEESVSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CCNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000711359314 712295703 /nfs/dbraw/zinc/29/57/03/712295703.db2.gz UHCVAGFUNYOLMT-ONGXEEELSA-N 1 0 209.293 0.614 20 30 BCEDRO CNC(NC[C@@H]1CCC2(CCC2)O1)=[NH+]C ZINC000711452347 712301757 /nfs/dbraw/zinc/30/17/57/712301757.db2.gz QVGGMESGDZRMFJ-VIFPVBQESA-N 1 0 211.309 0.883 20 30 BCEDRO C#C[C@H](C)NC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000923217508 712305898 /nfs/dbraw/zinc/30/58/98/712305898.db2.gz DTJKOYBFFOGXEA-JTQLQIEISA-N 1 0 246.314 0.969 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001079443225 712348795 /nfs/dbraw/zinc/34/87/95/712348795.db2.gz WJZARNQMTSPDEW-ZYHUDNBSSA-N 1 0 246.314 0.483 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccon2)C1 ZINC001079501006 712348837 /nfs/dbraw/zinc/34/88/37/712348837.db2.gz TWLWULXLLSPDOM-ZYHUDNBSSA-N 1 0 249.314 0.840 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cocn2)C1 ZINC001079487633 712349010 /nfs/dbraw/zinc/34/90/10/712349010.db2.gz KCNVVSJKLAUNJX-NXEZZACHSA-N 1 0 235.287 0.911 20 30 BCEDRO C#CCN1C[C@@H](C)[C@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001079493582 712349175 /nfs/dbraw/zinc/34/91/75/712349175.db2.gz XMTPENJTRTUYKJ-JHJVBQTASA-N 1 0 249.358 0.150 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001079659868 712349888 /nfs/dbraw/zinc/34/98/88/712349888.db2.gz OWXLEQZRWHUEIQ-NXEZZACHSA-N 1 0 249.318 0.051 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cncnc2)C1 ZINC001079607433 712349911 /nfs/dbraw/zinc/34/99/11/712349911.db2.gz UCDYMNOMVZVPCS-ZYHUDNBSSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001080505910 712353921 /nfs/dbraw/zinc/35/39/21/712353921.db2.gz JOJZXBSSAFVSCD-IJLUTSLNSA-N 1 0 232.327 0.856 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1 ZINC001080648278 712353983 /nfs/dbraw/zinc/35/39/83/712353983.db2.gz DNWWFUASFMGWHY-MWLCHTKSSA-N 1 0 248.286 0.143 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnnc2)C1 ZINC001080499522 712353993 /nfs/dbraw/zinc/35/39/93/712353993.db2.gz BQYVYANRUOMKBW-ZYHUDNBSSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)C(C)(C)OC ZINC000378778302 712360267 /nfs/dbraw/zinc/36/02/67/712360267.db2.gz IMFIHTVHNQNJOB-JTQLQIEISA-N 1 0 226.320 0.529 20 30 BCEDRO C[C@@H](O)CC[N@H+](C)CCO[C@H](C)C#N ZINC000379491685 712386209 /nfs/dbraw/zinc/38/62/09/712386209.db2.gz RBMIXOUVLIBDKU-NXEZZACHSA-N 1 0 200.282 0.618 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)COC ZINC000379587073 712389687 /nfs/dbraw/zinc/38/96/87/712389687.db2.gz RXBBUPJVVXBIBF-SECBINFHSA-N 1 0 221.322 0.212 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1COCC[C@H]1OC ZINC000724886276 712393143 /nfs/dbraw/zinc/39/31/43/712393143.db2.gz DSKCRARPIXHIDT-GHMZBOCLSA-N 1 0 215.293 0.583 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)c2cnco2)CC1 ZINC000759147347 712408889 /nfs/dbraw/zinc/40/88/89/712408889.db2.gz KLKYZJXUHYTORQ-UHFFFAOYSA-N 1 0 247.298 0.892 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNc1cncc(C#N)n1 ZINC000712582927 712434170 /nfs/dbraw/zinc/43/41/70/712434170.db2.gz RWCHFALUWDSIJE-SNVBAGLBSA-N 1 0 217.276 0.854 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNc1ccc(C#N)nn1 ZINC000712590572 712435119 /nfs/dbraw/zinc/43/51/19/712435119.db2.gz CPVGNBNLLGZOGN-VIFPVBQESA-N 1 0 203.249 0.464 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNc1ccncc1C#N ZINC000712590721 712435127 /nfs/dbraw/zinc/43/51/27/712435127.db2.gz FOPRWBCTKWVLGS-SNVBAGLBSA-N 1 0 202.261 0.491 20 30 BCEDRO C=C(CC)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000712610055 712437574 /nfs/dbraw/zinc/43/75/74/712437574.db2.gz PTJCWVFNHKAPKD-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO C=CCCNC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC000715126167 712511270 /nfs/dbraw/zinc/51/12/70/712511270.db2.gz PSNIPYVPQQKRPD-RNFRBKRXSA-N 1 0 204.220 0.519 20 30 BCEDRO C#CC(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000715214827 712513818 /nfs/dbraw/zinc/51/38/18/712513818.db2.gz XVJZRKZYKRYZDH-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCN(C(=O)C12CC[NH+](CC1)C2)C(C)C ZINC000715768984 712532125 /nfs/dbraw/zinc/53/21/25/712532125.db2.gz MELOAWPANUUNBF-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO CC(C)(C#N)CNC(=O)C12CC[NH+](CC1)C2 ZINC000715823603 712534255 /nfs/dbraw/zinc/53/42/55/712534255.db2.gz KBHWOYSOBILKPG-UHFFFAOYSA-N 1 0 221.304 0.748 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715946270 712545022 /nfs/dbraw/zinc/54/50/22/712545022.db2.gz RKLPQMGLWIJEAV-ZJUUUORDSA-N 1 0 224.308 0.793 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cnc(C)n1C ZINC000716827365 712577022 /nfs/dbraw/zinc/57/70/22/712577022.db2.gz HBUAKTDRERSZEW-NSHDSACASA-N 1 0 221.304 0.856 20 30 BCEDRO C#CC[C@H](COC)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000716828427 712577118 /nfs/dbraw/zinc/57/71/18/712577118.db2.gz LBWYTRHFRRBAHP-DGCLKSJQSA-N 1 0 240.347 0.069 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1ccnn1C ZINC000716928755 712596719 /nfs/dbraw/zinc/59/67/19/712596719.db2.gz NHECTOHOXGGLDN-SNVBAGLBSA-N 1 0 207.277 0.548 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)CC[NH2+]C(C)(C)C ZINC000717856216 712601186 /nfs/dbraw/zinc/60/11/86/712601186.db2.gz QYMWOAHWRLOKJX-NSHDSACASA-N 1 0 240.347 0.655 20 30 BCEDRO Cc1csc(CCNC2=[NH+]C[C@H](C)N2)n1 ZINC000379832175 712615410 /nfs/dbraw/zinc/61/54/10/712615410.db2.gz YLTDYMSRKFEALH-ZETCQYMHSA-N 1 0 224.333 0.931 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)cc1 ZINC000717456149 712658773 /nfs/dbraw/zinc/65/87/73/712658773.db2.gz AREAAGJDZURHAP-NEPJUHHUSA-N 1 0 225.263 0.996 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000717569486 712661162 /nfs/dbraw/zinc/66/11/62/712661162.db2.gz CFPQWFDSWFLJHX-IVZWLZJFSA-N 1 0 212.293 0.180 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cc[nH]c(=O)c1 ZINC000717596918 712661177 /nfs/dbraw/zinc/66/11/77/712661177.db2.gz ZXEAXALAIFWDQV-UHFFFAOYSA-N 1 0 233.271 0.082 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)N1CCCC1 ZINC000717593421 712661347 /nfs/dbraw/zinc/66/13/47/712661347.db2.gz AQUIAPHPAJIOBA-UHFFFAOYSA-N 1 0 209.293 0.357 20 30 BCEDRO COC(=O)c1ccc(NCC#CC[NH+](C)C)nn1 ZINC000717629965 712662135 /nfs/dbraw/zinc/66/21/35/712662135.db2.gz UEURNRRXIIBEQX-UHFFFAOYSA-N 1 0 248.286 0.240 20 30 BCEDRO C[NH+](C)CC#CCNc1cc(Cl)nc(N)n1 ZINC000717612779 712662523 /nfs/dbraw/zinc/66/25/23/712662523.db2.gz OIPLKBAHIJVVRP-UHFFFAOYSA-N 1 0 239.710 0.689 20 30 BCEDRO Cc1ccc(C(=O)NCC#CC[NH+](C)C)cc1O ZINC000717680377 712664411 /nfs/dbraw/zinc/66/44/11/712664411.db2.gz XAWLLWYAOYZIRD-UHFFFAOYSA-N 1 0 246.310 0.995 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1CCC(=O)CC1 ZINC000717689033 712665005 /nfs/dbraw/zinc/66/50/05/712665005.db2.gz CPSUARWXDLQPIF-UHFFFAOYSA-N 1 0 236.315 0.427 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(C)nn1C ZINC000717727717 712667655 /nfs/dbraw/zinc/66/76/55/712667655.db2.gz JMCPGVCFCUNTRS-JTQLQIEISA-N 1 0 207.277 0.202 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cn2ccccc2n1 ZINC000717733979 712668000 /nfs/dbraw/zinc/66/80/00/712668000.db2.gz SNFILUFNMXTIPH-NSHDSACASA-N 1 0 229.283 0.808 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000717738571 712668103 /nfs/dbraw/zinc/66/81/03/712668103.db2.gz DNMILDCZXJFUKO-LBPRGKRZSA-N 1 0 232.283 0.259 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C1CCC(C)(O)CC1 ZINC000717738630 712668109 /nfs/dbraw/zinc/66/81/09/712668109.db2.gz DZJJREGPSQNKAG-CXQJBGSLSA-N 1 0 211.305 0.654 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cncc(OC)c1 ZINC000717732099 712668128 /nfs/dbraw/zinc/66/81/28/712668128.db2.gz GNPRDXFSGGAOCY-NSHDSACASA-N 1 0 220.272 0.564 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000717738568 712668230 /nfs/dbraw/zinc/66/82/30/712668230.db2.gz DNMILDCZXJFUKO-GFCCVEGCSA-N 1 0 232.283 0.259 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)c1ccccc1 ZINC000717734478 712669341 /nfs/dbraw/zinc/66/93/41/712669341.db2.gz ZBTXUERSBWKQQE-STQMWFEESA-N 1 0 219.284 0.694 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cncc(OC)c1 ZINC000717762423 712674113 /nfs/dbraw/zinc/67/41/13/712674113.db2.gz UABYPGMMYFXZTJ-LBPRGKRZSA-N 1 0 234.299 0.954 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000717786000 712677033 /nfs/dbraw/zinc/67/70/33/712677033.db2.gz HZAWHKKCPCCPKB-ZDUSSCGKSA-N 1 0 246.310 0.520 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000717794210 712678022 /nfs/dbraw/zinc/67/80/22/712678022.db2.gz NFMQVGMFHZGSNF-TUAOUCFPSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000717795475 712678031 /nfs/dbraw/zinc/67/80/31/712678031.db2.gz STLJHANFMCRTSY-SDDRHHMPSA-N 1 0 211.305 0.775 20 30 BCEDRO N#C[C@H]1CCC[N@@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000932154974 712716136 /nfs/dbraw/zinc/71/61/36/712716136.db2.gz UGOINCMNVVMPHD-ZJUUUORDSA-N 1 0 207.277 0.358 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)COCC(C)C ZINC000717894538 712731788 /nfs/dbraw/zinc/73/17/88/712731788.db2.gz FERLUTDAULLQHL-STQMWFEESA-N 1 0 243.347 0.384 20 30 BCEDRO COC(=O)c1cncc(NCC#CC[NH+](C)C)n1 ZINC000717949355 712734654 /nfs/dbraw/zinc/73/46/54/712734654.db2.gz JIVVVIUVZDWQHN-UHFFFAOYSA-N 1 0 248.286 0.240 20 30 BCEDRO C#CCC[C@H](O)CNC(NCC)=[NH+]CC ZINC000717959155 712735352 /nfs/dbraw/zinc/73/53/52/712735352.db2.gz VYAQJZHQIQCAFZ-JTQLQIEISA-N 1 0 211.309 0.336 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)COC(C)(C)C ZINC000717958157 712735465 /nfs/dbraw/zinc/73/54/65/712735465.db2.gz IWWDRCBYLNLZRZ-UHFFFAOYSA-N 1 0 226.320 0.483 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000718163637 712750590 /nfs/dbraw/zinc/75/05/90/712750590.db2.gz HKWSEWZFHHTFBH-FIQHERPVSA-N 1 0 238.331 0.358 20 30 BCEDRO C[C@@H]([NH2+]C[C@H](O)CO)c1ccc(C#N)cc1 ZINC000037749534 712754738 /nfs/dbraw/zinc/75/47/38/712754738.db2.gz WULDSIXQGQUPDN-SKDRFNHKSA-N 1 0 220.272 0.562 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc2n1CCC2 ZINC000719157538 712798917 /nfs/dbraw/zinc/79/89/17/712798917.db2.gz FFXVTTSBTYEBFM-SNVBAGLBSA-N 1 0 219.288 0.303 20 30 BCEDRO C=CCCNC(=O)c1c(C[NH3+])cnn1C ZINC000719244464 712801111 /nfs/dbraw/zinc/80/11/11/712801111.db2.gz NXIHJOJXGPRKND-UHFFFAOYSA-N 1 0 208.265 0.185 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)C(C)(C)C#N)CC[N@@H+]1C ZINC000719356007 712805267 /nfs/dbraw/zinc/80/52/67/712805267.db2.gz XWRINLDQEUTGCB-BDAKNGLRSA-N 1 0 209.293 0.745 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000719353853 712805326 /nfs/dbraw/zinc/80/53/26/712805326.db2.gz KARYHRVCBOWMHR-AEJSXWLSSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@@H]1[C@@H](Nc2cc(C#N)ncn2)CC[N@@H+]1C ZINC000719603778 712816069 /nfs/dbraw/zinc/81/60/69/712816069.db2.gz SUBNFBPELZMXBY-SCZZXKLOSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@@H]1[C@@H](Nc2cnc(C#N)cn2)CC[N@@H+]1C ZINC000719603902 712816161 /nfs/dbraw/zinc/81/61/61/712816161.db2.gz ULQQUWXGEBZZQK-SCZZXKLOSA-N 1 0 217.276 0.853 20 30 BCEDRO C#CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720459703 712844431 /nfs/dbraw/zinc/84/44/31/712844431.db2.gz UMEQFPZYMFEYEH-NXEZZACHSA-N 1 0 224.329 0.316 20 30 BCEDRO C#CC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720459715 712844739 /nfs/dbraw/zinc/84/47/39/712844739.db2.gz UMEQFPZYMFEYEH-ZJUUUORDSA-N 1 0 224.329 0.316 20 30 BCEDRO C=CCCS(=O)(=O)N(CC[NH2+]C)C(C)C ZINC000720832886 712868710 /nfs/dbraw/zinc/86/87/10/712868710.db2.gz FCZYGAZORXHCHM-UHFFFAOYSA-N 1 0 234.365 0.822 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)COC)C[C@H]1CC ZINC001037752363 712886687 /nfs/dbraw/zinc/88/66/87/712886687.db2.gz MXAUFZWBRFIGSF-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C=CCCS(=O)(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000721045384 712888569 /nfs/dbraw/zinc/88/85/69/712888569.db2.gz LUXZVMZXKRTVKI-GHMZBOCLSA-N 1 0 246.376 0.728 20 30 BCEDRO N#Cc1cccnc1N1CCN2CC[NH2+]C[C@H]2C1 ZINC001164393924 718829247 /nfs/dbraw/zinc/82/92/47/718829247.db2.gz XFWRLDOTHDECOZ-LBPRGKRZSA-N 1 0 243.314 0.047 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cncc(C#N)n1 ZINC000591460054 719168754 /nfs/dbraw/zinc/16/87/54/719168754.db2.gz DJEUFRSEWAFRFZ-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO C=CCN1CCN(c2ncc3c(n2)C[NH2+]C3)CC1 ZINC001165031533 721866908 /nfs/dbraw/zinc/86/69/08/721866908.db2.gz NEOMDNOTLZBELB-UHFFFAOYSA-N 1 0 245.330 0.388 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC000091393757 721887107 /nfs/dbraw/zinc/88/71/07/721887107.db2.gz BPWQCRLUHOGVNZ-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO N#CCCN1CCN(c2cc(N)cc[nH+]2)CC1 ZINC001165056487 722021366 /nfs/dbraw/zinc/02/13/66/722021366.db2.gz YCEGGRUCSSHJHQ-UHFFFAOYSA-N 1 0 231.303 0.699 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCOC ZINC000299269678 136209167 /nfs/dbraw/zinc/20/91/67/136209167.db2.gz MUFKVWGHGVEWDH-SNVBAGLBSA-N 1 0 212.293 0.093 20 30 BCEDRO N#CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000602087796 349434892 /nfs/dbraw/zinc/43/48/92/349434892.db2.gz YOJMPHYULFMNEG-UHFFFAOYSA-N 1 0 207.277 0.502 20 30 BCEDRO C=C[C@H](C)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418330688 192025344 /nfs/dbraw/zinc/02/53/44/192025344.db2.gz CRICKWIEMIDZKX-VHSXEESVSA-N 1 0 211.309 0.860 20 30 BCEDRO CC#CCN(C)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418337084 192025583 /nfs/dbraw/zinc/02/55/83/192025583.db2.gz JFILYCZKPNSQPM-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000602172804 349459394 /nfs/dbraw/zinc/45/93/94/349459394.db2.gz PXFNJDMTWPUHTA-KXUCPTDWSA-N 1 0 223.320 0.991 20 30 BCEDRO C[C@H](C(=O)N1CCSC[C@H]1C#N)[NH+](C)C ZINC000602133178 349459407 /nfs/dbraw/zinc/45/94/07/349459407.db2.gz PDBCOELBMVGCBP-RKDXNWHRSA-N 1 0 227.333 0.404 20 30 BCEDRO C[C@H](C(=O)N1CCSC[C@@H]1C#N)[NH+](C)C ZINC000602133177 349459908 /nfs/dbraw/zinc/45/99/08/349459908.db2.gz PDBCOELBMVGCBP-BDAKNGLRSA-N 1 0 227.333 0.404 20 30 BCEDRO CC#CCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000418350282 192026708 /nfs/dbraw/zinc/02/67/08/192026708.db2.gz YKVQYCRSRYMFFN-JTQLQIEISA-N 1 0 209.293 0.309 20 30 BCEDRO N#Cc1ccccc1CN1CCO[C@H](C[NH3+])C1 ZINC000165683895 398149513 /nfs/dbraw/zinc/14/95/13/398149513.db2.gz AOIBUIOUPNNQHC-CYBMUJFWSA-N 1 0 231.299 0.718 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])C(C)C ZINC000424206973 398176725 /nfs/dbraw/zinc/17/67/25/398176725.db2.gz IDFLTNRYETXQDY-DCAQKATOSA-N 1 0 226.320 0.677 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000424206658 398176805 /nfs/dbraw/zinc/17/68/05/398176805.db2.gz HUKCBTOIUOORSG-VLEAKVRGSA-N 1 0 226.320 0.677 20 30 BCEDRO C=CCN1CC[C@H](N[C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000424289753 398179214 /nfs/dbraw/zinc/17/92/14/398179214.db2.gz MMFVDAAQFVZWTJ-UTUOFQBUSA-N 1 0 237.347 0.633 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CC[N@@H+](C)C[C@H]2C)nn1 ZINC000424291600 398180401 /nfs/dbraw/zinc/18/04/01/398180401.db2.gz DVHNERMDNOBEEG-DGCLKSJQSA-N 1 0 249.362 0.894 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1CNCC[C@@H]1C ZINC000423020275 398162583 /nfs/dbraw/zinc/16/25/83/398162583.db2.gz ZRBBVJYMBUNPDK-SRVKXCTJSA-N 1 0 212.337 0.759 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)COC(C)C ZINC000379778284 398166814 /nfs/dbraw/zinc/16/68/14/398166814.db2.gz BCUMIENFERPXQM-LLVKDONJSA-N 1 0 217.309 0.565 20 30 BCEDRO C[C@H]([NH3+])C(=O)N1CCC(CCC#N)CC1 ZINC000576229382 365530978 /nfs/dbraw/zinc/53/09/78/365530978.db2.gz SRQGECRYHSBWRG-VIFPVBQESA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCNC(NC[C@@](C)(O)c1ccco1)=[NH+]C ZINC000072733311 343982004 /nfs/dbraw/zinc/98/20/04/343982004.db2.gz OFYUPOJOTVCFTA-GFCCVEGCSA-N 1 0 237.303 0.838 20 30 BCEDRO C#CCCN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000364849650 136221541 /nfs/dbraw/zinc/22/15/41/136221541.db2.gz NAHQHBRPJRPSGN-ZIAGYGMSSA-N 1 0 236.359 0.931 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@@H](O)CN(C)CCC#N)[C@@H]1C ZINC000414130005 398218160 /nfs/dbraw/zinc/21/81/60/398218160.db2.gz WKHKJRDWFWGORU-UTUOFQBUSA-N 1 0 225.336 0.533 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H](O)CN(C)CCC#N)[C@H]1C ZINC000414129997 398218189 /nfs/dbraw/zinc/21/81/89/398218189.db2.gz WKHKJRDWFWGORU-GRYCIOLGSA-N 1 0 225.336 0.533 20 30 BCEDRO C=CCOCC(=O)N1CCC(C)([NH3+])CC1 ZINC000381030320 398219616 /nfs/dbraw/zinc/21/96/16/398219616.db2.gz AEOJKSYYSCKXJN-UHFFFAOYSA-N 1 0 212.293 0.529 20 30 BCEDRO Cc1cc(NC[C@](C)(O)C[NH+](C)C)cc(C#N)n1 ZINC000308271911 178170394 /nfs/dbraw/zinc/17/03/94/178170394.db2.gz BNCAIFVFYOUHMD-ZDUSSCGKSA-N 1 0 248.330 0.986 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418378026 192030094 /nfs/dbraw/zinc/03/00/94/192030094.db2.gz CBPSLFQZRHRZBS-GHMZBOCLSA-N 1 0 243.351 0.454 20 30 BCEDRO C=CCCCN(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418386722 192031384 /nfs/dbraw/zinc/03/13/84/192031384.db2.gz QJESUFANPGINMZ-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190094153 398228539 /nfs/dbraw/zinc/22/85/39/398228539.db2.gz SMUDYPTYMPSDII-LNFKQOIKSA-N 1 0 241.335 0.493 20 30 BCEDRO C=CCC(C)(C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629917115 361774475 /nfs/dbraw/zinc/77/44/75/361774475.db2.gz LWNXWMQTBVPYGP-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000575245051 398238188 /nfs/dbraw/zinc/23/81/88/398238188.db2.gz LAHLRSAIXIDBSK-MNOVXSKESA-N 1 0 242.319 0.072 20 30 BCEDRO C[C@H]1C[N@H+](CCCNC(=O)CC#N)CCCO1 ZINC000432548018 398238573 /nfs/dbraw/zinc/23/85/73/398238573.db2.gz WBFHKFDAVYKPCX-NSHDSACASA-N 1 0 239.319 0.517 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2CC[NH2+]C2)CC2(CC2)C1 ZINC000602425844 349532426 /nfs/dbraw/zinc/53/24/26/349532426.db2.gz WOXNEDFTYJERTJ-SECBINFHSA-N 1 0 219.288 0.548 20 30 BCEDRO C=C[C@@H](CO)NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418422911 192037294 /nfs/dbraw/zinc/03/72/94/192037294.db2.gz BLOYREJODZDYLG-VHSXEESVSA-N 1 0 229.324 0.206 20 30 BCEDRO CC#CC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000283244706 136228106 /nfs/dbraw/zinc/22/81/06/136228106.db2.gz PWCWUIYVNZOUST-ZJUUUORDSA-N 1 0 226.345 0.514 20 30 BCEDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCCSCC#N ZINC000193635057 136228886 /nfs/dbraw/zinc/22/88/86/136228886.db2.gz WAGPEFLYOAGMAB-VHSXEESVSA-N 1 0 241.360 0.747 20 30 BCEDRO C=CCCN(C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418465615 192038043 /nfs/dbraw/zinc/03/80/43/192038043.db2.gz NNGFPEVRNRQSRD-JTQLQIEISA-N 1 0 211.309 0.941 20 30 BCEDRO C=CC[N@@H+](C[C@](C)(O)C(=O)OC)C1CC1 ZINC000343767625 365624339 /nfs/dbraw/zinc/62/43/39/365624339.db2.gz OIPCCDVGHYNDBX-NSHDSACASA-N 1 0 213.277 0.561 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2CCCC[NH2+]2)CCC1 ZINC000602432693 349536549 /nfs/dbraw/zinc/53/65/49/349536549.db2.gz QTCSATCATSRINW-SNVBAGLBSA-N 1 0 221.304 0.939 20 30 BCEDRO C=CCNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000195136661 398257095 /nfs/dbraw/zinc/25/70/95/398257095.db2.gz MDTWNHWNKOPEHZ-UHFFFAOYSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CC1CCN(C(=O)COCC[NH3+])CC1 ZINC000381545269 398262421 /nfs/dbraw/zinc/26/24/21/398262421.db2.gz KKACVPRMQBXFQN-UHFFFAOYSA-N 1 0 212.293 0.386 20 30 BCEDRO CC[C@](C)(C[NH+]1CCN(CC#N)CC1)OC ZINC000602454695 349553315 /nfs/dbraw/zinc/55/33/15/349553315.db2.gz OHXILQSMLTZHHJ-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1(CO)CCCC1 ZINC000378737909 346819801 /nfs/dbraw/zinc/81/98/01/346819801.db2.gz NQYAUZFYSYHGFA-UHFFFAOYSA-N 1 0 224.304 0.021 20 30 BCEDRO C=CCOCC(=O)N1CC[NH2+]CC1(C)C ZINC000381508400 398261041 /nfs/dbraw/zinc/26/10/41/398261041.db2.gz MQWFNLACCSHHLX-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCN(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000381509562 398261136 /nfs/dbraw/zinc/26/11/36/398261136.db2.gz VKTSJHHCKQLBHG-QMMMGPOBSA-N 1 0 218.247 0.876 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000602485683 349567993 /nfs/dbraw/zinc/56/79/93/349567993.db2.gz ZCYCFKJNGFCNPP-VIFPVBQESA-N 1 0 221.304 0.781 20 30 BCEDRO C[C@]1(O)CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602486858 349569280 /nfs/dbraw/zinc/56/92/80/349569280.db2.gz WHTTXSZQROXJFN-LBPRGKRZSA-N 1 0 217.272 0.910 20 30 BCEDRO N#CC1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CCC1 ZINC000602490864 349571126 /nfs/dbraw/zinc/57/11/26/349571126.db2.gz WYOWTFWBFSVMOI-AOOOYVTPSA-N 1 0 219.288 0.358 20 30 BCEDRO N#CC1(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)CC2(CC2)C1 ZINC000602490319 349571302 /nfs/dbraw/zinc/57/13/02/349571302.db2.gz REEIONPARLKBSF-PHIMTYICSA-N 1 0 245.326 0.748 20 30 BCEDRO N#CC1(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000602491009 349571348 /nfs/dbraw/zinc/57/13/48/349571348.db2.gz MQRYUROSZZNMRD-GHMZBOCLSA-N 1 0 233.315 0.891 20 30 BCEDRO N#CC1(C(=O)N[C@H]2CC23CC[NH2+]CC3)CCC1 ZINC000602491708 349572219 /nfs/dbraw/zinc/57/22/19/349572219.db2.gz RJJVUEXARGHIDK-JTQLQIEISA-N 1 0 233.315 0.939 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]2C[NH2+]CCCO2)CCC1 ZINC000602496655 349558747 /nfs/dbraw/zinc/55/87/47/349558747.db2.gz OYWILUXVUYRJIZ-JTQLQIEISA-N 1 0 237.303 0.175 20 30 BCEDRO CC[C@H]([NH3+])CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000602496334 349559065 /nfs/dbraw/zinc/55/90/65/349559065.db2.gz RILPPXZNTSAMRD-VIFPVBQESA-N 1 0 221.304 0.924 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CCOCCO ZINC000602499901 349559600 /nfs/dbraw/zinc/55/96/00/349559600.db2.gz UYXCSQKZBLWPLS-SNVBAGLBSA-N 1 0 200.282 0.525 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2C[NH2+]CCO2)CC2(CC2)C1 ZINC000602511846 349584895 /nfs/dbraw/zinc/58/48/95/349584895.db2.gz UTIXXNXKYUBNRK-SNVBAGLBSA-N 1 0 249.314 0.175 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@H](C)CS(C)(=O)=O ZINC000602544278 349588666 /nfs/dbraw/zinc/58/86/66/349588666.db2.gz HGHBRRHBATXFOQ-NXEZZACHSA-N 1 0 232.349 0.949 20 30 BCEDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CCO[C@@H](C#N)C1 ZINC000259869808 349589575 /nfs/dbraw/zinc/58/95/75/349589575.db2.gz JGMQLAHRVWTDHK-WDEREUQCSA-N 1 0 237.303 0.222 20 30 BCEDRO CCS(=O)(=O)NCC[NH2+]C[C@@H](C)CCC#N ZINC000602532568 349601678 /nfs/dbraw/zinc/60/16/78/349601678.db2.gz VUISXIAOIQTARJ-JTQLQIEISA-N 1 0 247.364 0.455 20 30 BCEDRO CNC(=O)CC[NH2+]C1CCC(C#N)CC1 ZINC000602533923 349601981 /nfs/dbraw/zinc/60/19/81/349601981.db2.gz ZNNPVUFHILKGOH-UHFFFAOYSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000602536271 349603814 /nfs/dbraw/zinc/60/38/14/349603814.db2.gz SQOSSAUBHQREKH-ZYHUDNBSSA-N 1 0 219.288 0.796 20 30 BCEDRO CC(C)(C)[C@@H](CO)[NH2+]CCOCCC#N ZINC000378861815 346848245 /nfs/dbraw/zinc/84/82/45/346848245.db2.gz RSFVJYKWGFVIEI-SNVBAGLBSA-N 1 0 214.309 0.913 20 30 BCEDRO CC(C)(C)[C@H](CO)[NH2+]CCOCCC#N ZINC000378861814 346848269 /nfs/dbraw/zinc/84/82/69/346848269.db2.gz RSFVJYKWGFVIEI-JTQLQIEISA-N 1 0 214.309 0.913 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@]1(C)CCO[C@@H]1C ZINC000378863278 346849065 /nfs/dbraw/zinc/84/90/65/346849065.db2.gz VCFQOKUZXSOVGU-ZYHUDNBSSA-N 1 0 224.304 0.283 20 30 BCEDRO CCC(C#N)(CC)C(=O)NCCOCCC[NH3+] ZINC000602551861 349593823 /nfs/dbraw/zinc/59/38/23/349593823.db2.gz KLUTUCCIZJDRBL-UHFFFAOYSA-N 1 0 241.335 0.798 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@H](C)CCC#N ZINC000602585660 349611961 /nfs/dbraw/zinc/61/19/61/349611961.db2.gz GUKRITYBTOKILL-SNVBAGLBSA-N 1 0 209.293 0.818 20 30 BCEDRO COC[C@@H](O)CC[NH2+]C[C@H](C)CCC#N ZINC000602579349 349607833 /nfs/dbraw/zinc/60/78/33/349607833.db2.gz JZEQKIKANVYNSF-MNOVXSKESA-N 1 0 214.309 0.913 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CCc1nnnn1C ZINC000602582829 349610025 /nfs/dbraw/zinc/61/00/25/349610025.db2.gz PCRCRSTVIIVREW-SECBINFHSA-N 1 0 222.296 0.282 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)CCC#N ZINC000602585658 349611576 /nfs/dbraw/zinc/61/15/76/349611576.db2.gz GUKRITYBTOKILL-JTQLQIEISA-N 1 0 209.293 0.818 20 30 BCEDRO C[C@H]1CN(C(=O)NCC(C)(C)C#N)[C@@H](C)C[NH2+]1 ZINC000335604690 136235797 /nfs/dbraw/zinc/23/57/97/136235797.db2.gz OOXHWNNBVRJPIA-UWVGGRQHSA-N 1 0 238.335 0.928 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH+](CCO)CCO)C1 ZINC000600179066 342696920 /nfs/dbraw/zinc/69/69/20/342696920.db2.gz HCBMOTIPRZIJFD-WDEREUQCSA-N 1 0 212.293 0.355 20 30 BCEDRO CC(C)(CCC#N)C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000600191780 342697904 /nfs/dbraw/zinc/69/79/04/342697904.db2.gz OEVPXQLVFIDOHL-UWVGGRQHSA-N 1 0 212.293 0.354 20 30 BCEDRO N#CC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC2(CC2)C1 ZINC000602589948 349614257 /nfs/dbraw/zinc/61/42/57/349614257.db2.gz GZEZSXINFYHNJV-UWVGGRQHSA-N 1 0 231.299 0.643 20 30 BCEDRO N#Cc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)o1 ZINC000309582556 342715719 /nfs/dbraw/zinc/71/57/19/342715719.db2.gz QVSFJCYQHSFEPS-AOOOYVTPSA-N 1 0 217.272 0.802 20 30 BCEDRO COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@@H](C)CC#N ZINC000602593387 349615699 /nfs/dbraw/zinc/61/56/99/349615699.db2.gz NSHVKNSDKQCSPI-IUCAKERBSA-N 1 0 241.291 0.027 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000616156948 398279943 /nfs/dbraw/zinc/27/99/43/398279943.db2.gz QLTSEYAKCVNSAK-AAEUAGOBSA-N 1 0 240.347 0.865 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)CC(F)(F)F ZINC000320641443 342734449 /nfs/dbraw/zinc/73/44/49/342734449.db2.gz MVWSMFZHYUKSQY-JGVFFNPUSA-N 1 0 227.226 0.826 20 30 BCEDRO C=CCSCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000231943827 342762818 /nfs/dbraw/zinc/76/28/18/342762818.db2.gz FBIDMHSDUIDLLZ-LLVKDONJSA-N 1 0 241.360 0.753 20 30 BCEDRO N#C[C@]1(C(=O)NCC2(C(F)F)CC2)CC[NH2+]C1 ZINC000602564727 349617192 /nfs/dbraw/zinc/61/71/92/349617192.db2.gz OBARACPKMLFRHD-LLVKDONJSA-N 1 0 243.257 0.651 20 30 BCEDRO C=CCCN1CCC[NH2+]C[C@H]1C(=O)OC ZINC000309652885 342776457 /nfs/dbraw/zinc/77/64/57/342776457.db2.gz ULGSOBCJJRTAFN-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCOCC(=O)NCC1([NH2+]C)CCC1 ZINC000630001031 361887233 /nfs/dbraw/zinc/88/72/33/361887233.db2.gz WEIIJNHJNCKHEO-UHFFFAOYSA-N 1 0 212.293 0.447 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC[NH+]1CCC(O)CC1 ZINC000321170826 342751523 /nfs/dbraw/zinc/75/15/23/342751523.db2.gz JDLBYCBEQJPRJI-JTQLQIEISA-N 1 0 239.319 0.109 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348777239 136238510 /nfs/dbraw/zinc/23/85/10/136238510.db2.gz UQUHKKWPVPIERO-OLZOCXBDSA-N 1 0 240.347 0.330 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418548119 192044114 /nfs/dbraw/zinc/04/41/14/192044114.db2.gz JQNXRUMRFHVZJB-GUBZILKMSA-N 1 0 211.309 0.858 20 30 BCEDRO COC[C@](C)(O)C[NH2+]C[C@@H](C)CCC#N ZINC000602568873 349620057 /nfs/dbraw/zinc/62/00/57/349620057.db2.gz YTEXAFPLFHRGSE-WDEREUQCSA-N 1 0 214.309 0.913 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@H]([NH3+])CCSC ZINC000157650029 342811296 /nfs/dbraw/zinc/81/12/96/342811296.db2.gz XDSYMUOOKYVYPS-YUMQZZPRSA-N 1 0 202.323 0.758 20 30 BCEDRO CN1CC[NH2+]C[C@@H]1CNc1cccnc1C#N ZINC000394722066 342815147 /nfs/dbraw/zinc/81/51/47/342815147.db2.gz GAUUOJYFGCZPDI-SNVBAGLBSA-N 1 0 231.303 0.269 20 30 BCEDRO C=C(C)CN(C)C(=O)NCC[NH2+]CCOC ZINC000418510827 192045722 /nfs/dbraw/zinc/04/57/22/192045722.db2.gz QMMXKDIEJNVTCU-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348777240 136238801 /nfs/dbraw/zinc/23/88/01/136238801.db2.gz UQUHKKWPVPIERO-QWHCGFSZSA-N 1 0 240.347 0.330 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1ccc(C#N)nc1 ZINC000359595079 398292873 /nfs/dbraw/zinc/29/28/73/398292873.db2.gz OEOMCCPFRHFDGN-UHFFFAOYSA-N 1 0 232.287 0.587 20 30 BCEDRO CC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000602603406 349626439 /nfs/dbraw/zinc/62/64/39/349626439.db2.gz RPNUBNBCCKYRKV-KXUCPTDWSA-N 1 0 209.293 0.874 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@@H](C)CC[NH3+] ZINC000418515576 192045994 /nfs/dbraw/zinc/04/59/94/192045994.db2.gz BQVKRGIQTAWJIR-VHSXEESVSA-N 1 0 229.324 0.350 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)N[C@@H](C)CC[NH3+] ZINC000418515575 192046021 /nfs/dbraw/zinc/04/60/21/192046021.db2.gz BQVKRGIQTAWJIR-UWVGGRQHSA-N 1 0 229.324 0.350 20 30 BCEDRO CCS(=O)(=O)NCCC[NH2+][C@H](C)CC#N ZINC000068615872 342837365 /nfs/dbraw/zinc/83/73/65/342837365.db2.gz VLJRAJHDOSLLTE-SECBINFHSA-N 1 0 233.337 0.208 20 30 BCEDRO C#CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000173892383 166176779 /nfs/dbraw/zinc/17/67/79/166176779.db2.gz PGCKFBPRXZLGMH-MNOVXSKESA-N 1 0 223.320 0.744 20 30 BCEDRO CCNC(=O)C[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000233478272 342865540 /nfs/dbraw/zinc/86/55/40/342865540.db2.gz UIDUBEJLYVSHNU-UHFFFAOYSA-N 1 0 247.298 0.793 20 30 BCEDRO C[C@H](CNc1ccnc(C#N)n1)C[NH+](C)C ZINC000309753329 342866129 /nfs/dbraw/zinc/86/61/29/342866129.db2.gz LASLYYDUBMMDAY-SECBINFHSA-N 1 0 219.292 0.958 20 30 BCEDRO CC(C)[C@@H]([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000134823837 342894510 /nfs/dbraw/zinc/89/45/10/342894510.db2.gz SQVQYQONOPNAEM-LLVKDONJSA-N 1 0 238.335 0.028 20 30 BCEDRO C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000602601422 349647676 /nfs/dbraw/zinc/64/76/76/349647676.db2.gz LEVWZAIEIXMVDS-GUBZILKMSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000602594665 349642908 /nfs/dbraw/zinc/64/29/08/349642908.db2.gz ZSZQRNNXCGQEDH-AXTSPUMRSA-N 1 0 207.277 0.212 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000602594521 349642989 /nfs/dbraw/zinc/64/29/89/349642989.db2.gz YIUFBOMVLWQYHP-DTWKUNHWSA-N 1 0 209.293 0.745 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NC[C@@H](C)[NH2+]CC ZINC000418588401 192053954 /nfs/dbraw/zinc/05/39/54/192053954.db2.gz GBWRFCHPXPXKNB-NXEZZACHSA-N 1 0 229.324 0.221 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@H]([NH3+])CC)C(=O)OC ZINC000602598334 349645046 /nfs/dbraw/zinc/64/50/46/349645046.db2.gz BHTHUMDJJFZOEV-BDAKNGLRSA-N 1 0 228.292 0.348 20 30 BCEDRO C=C(C)C[C@H](NC(=O)CCC[NH3+])C(=O)OC ZINC000602599376 349645685 /nfs/dbraw/zinc/64/56/85/349645685.db2.gz IQIVUUKDCVBXTL-VIFPVBQESA-N 1 0 228.292 0.349 20 30 BCEDRO CO[C@H](C[NH3+])CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000602600018 349646073 /nfs/dbraw/zinc/64/60/73/349646073.db2.gz DSMGQXIATOXWBO-VWYCJHECSA-N 1 0 239.319 0.501 20 30 BCEDRO C=C(C)C[C@H](NC(=O)CCC[NH2+]C)C(=O)OC ZINC000602600861 349646842 /nfs/dbraw/zinc/64/68/42/349646842.db2.gz PKTLGNHKCIDQSI-JTQLQIEISA-N 1 0 242.319 0.610 20 30 BCEDRO CC[N@H+](CCOCCO)Cc1cccc(C#N)n1 ZINC000602651459 349659415 /nfs/dbraw/zinc/65/94/15/349659415.db2.gz HXHVNIJOCNSTMP-UHFFFAOYSA-N 1 0 249.314 0.784 20 30 BCEDRO CC[C@@H](CC#N)NC(=O)/C=C\C[NH+](C)C ZINC000492607818 529444633 /nfs/dbraw/zinc/44/46/33/529444633.db2.gz ZXLYUNRSMRDYCT-OMMCCPJFSA-N 1 0 209.293 0.913 20 30 BCEDRO COC[C@@H](CO)[NH2+]C1CCC(C#N)CC1 ZINC000602639652 349652719 /nfs/dbraw/zinc/65/27/19/349652719.db2.gz XVDWTWSQKCBRSD-VQXHTEKXSA-N 1 0 212.293 0.666 20 30 BCEDRO CC[NH2+]CCCNC(=O)NCC1(CC#N)CC1 ZINC000561199964 398338281 /nfs/dbraw/zinc/33/82/81/398338281.db2.gz YDNULHWPJGXGLQ-UHFFFAOYSA-N 1 0 238.335 0.979 20 30 BCEDRO COCC[C@@H](CO)[NH2+]C[C@@H](C)CCC#N ZINC000602655448 349661753 /nfs/dbraw/zinc/66/17/53/349661753.db2.gz KSTFGADYOBRWPU-QWRGUYRKSA-N 1 0 214.309 0.913 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000602626638 349663602 /nfs/dbraw/zinc/66/36/02/349663602.db2.gz MLZIRVJRCUQGOB-NXEZZACHSA-N 1 0 245.348 0.289 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C1COCCOC1 ZINC000602672530 349666690 /nfs/dbraw/zinc/66/66/90/349666690.db2.gz PWMYTEKSPMROCW-JTQLQIEISA-N 1 0 212.293 0.931 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@](O)(CO)C1 ZINC000602689267 349679150 /nfs/dbraw/zinc/67/91/50/349679150.db2.gz BFILVESXTSKDKU-NWDGAFQWSA-N 1 0 226.320 0.745 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000602681862 349674459 /nfs/dbraw/zinc/67/44/59/349674459.db2.gz XGHRDIHTCCYJJG-QWRGUYRKSA-N 1 0 212.293 0.619 20 30 BCEDRO COCC1(O)C[NH+](C[C@H](C)CCC#N)C1 ZINC000602689187 349679515 /nfs/dbraw/zinc/67/95/15/349679515.db2.gz SWHAQESOOLGLMK-SNVBAGLBSA-N 1 0 212.293 0.619 20 30 BCEDRO CO[C@@H]1C[N@H+](C[C@@H](C)CCC#N)C[C@H]1O ZINC000602684371 349676387 /nfs/dbraw/zinc/67/63/87/349676387.db2.gz WTGRGMXQAJGLQR-HBNTYKKESA-N 1 0 212.293 0.618 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000602680986 349673303 /nfs/dbraw/zinc/67/33/03/349673303.db2.gz IZLJYIUTFNIUNT-VHSXEESVSA-N 1 0 209.293 0.876 20 30 BCEDRO CCOC[C@@H](O)C[NH2+][C@H](CC)CC#N ZINC000308687914 346898734 /nfs/dbraw/zinc/89/87/34/346898734.db2.gz QJLSMHRWTVOPKH-ZJUUUORDSA-N 1 0 200.282 0.666 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCc2nnnn2CC1 ZINC000602693225 349690187 /nfs/dbraw/zinc/69/01/87/349690187.db2.gz DEWMVWKBAFCZIC-QWRGUYRKSA-N 1 0 248.334 0.907 20 30 BCEDRO CO[C@H](CNC(=O)[C@H]1CN(C)CCO1)C1CC1 ZINC000329712234 136253516 /nfs/dbraw/zinc/25/35/16/136253516.db2.gz PTVSQENMKRCCHJ-GHMZBOCLSA-N 1 0 242.319 0.699 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351813724 136254738 /nfs/dbraw/zinc/25/47/38/136254738.db2.gz RPTKXLIOBMQSES-MXWKQRLJSA-N 1 0 239.319 0.060 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000576816830 365692543 /nfs/dbraw/zinc/69/25/43/365692543.db2.gz LESJVPOBESSHDX-MXWKQRLJSA-N 1 0 247.360 0.743 20 30 BCEDRO CCNC(=O)C1C[NH+](C[C@@H](C)CCC#N)C1 ZINC000602691798 349689087 /nfs/dbraw/zinc/68/90/87/349689087.db2.gz ZXFOYLNKPJGNJD-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO N#Cc1cccc(C[NH2+]CC2(CC(N)=O)CC2)n1 ZINC000602700330 349695995 /nfs/dbraw/zinc/69/59/95/349695995.db2.gz VJXYFBLSEONVSE-UHFFFAOYSA-N 1 0 244.298 0.698 20 30 BCEDRO N#CC1(C[NH2+][C@@H]2CCCNC(=O)C2)CCC1 ZINC000602699906 349696254 /nfs/dbraw/zinc/69/62/54/349696254.db2.gz TYIUPSFEDNSTEB-SNVBAGLBSA-N 1 0 221.304 0.939 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)N(C)Cc1cn[nH]c1 ZINC000085826446 342973630 /nfs/dbraw/zinc/97/36/30/342973630.db2.gz UAFCPUIIWCYUSG-JTQLQIEISA-N 1 0 249.318 0.602 20 30 BCEDRO N#CCC1(C[N@H+]2CC[C@@H](NC(N)=O)C2)CC1 ZINC000602795864 349737806 /nfs/dbraw/zinc/73/78/06/349737806.db2.gz BEDIGGFLRVRZAT-SECBINFHSA-N 1 0 222.292 0.423 20 30 BCEDRO C[N@H+](CC1(CC#N)CC1)[C@]1(CO)CCOC1 ZINC000602803708 349742481 /nfs/dbraw/zinc/74/24/81/349742481.db2.gz ACHZAAWMAOQBPU-LBPRGKRZSA-N 1 0 224.304 0.763 20 30 BCEDRO N#CCC1(C[N@H+]2CC[C@]3(CNC(=O)C3)C2)CC1 ZINC000602819454 349760704 /nfs/dbraw/zinc/76/07/04/349760704.db2.gz CASSRHDSUHQFFR-ZDUSSCGKSA-N 1 0 233.315 0.892 20 30 BCEDRO C[C@H](CC#N)N[C@@H](C)C(=O)NC[C@H]1CCCO1 ZINC000602861302 349772389 /nfs/dbraw/zinc/77/23/89/349772389.db2.gz GAMXLDVUWJEFQT-OUAUKWLOSA-N 1 0 239.319 0.562 20 30 BCEDRO C[C@@H]1CN(Cc2cncn2C)C[C@H](C)N1CC#N ZINC000602861841 349773469 /nfs/dbraw/zinc/77/34/69/349773469.db2.gz MCPWXKXADOXFKG-TXEJJXNPSA-N 1 0 247.346 0.838 20 30 BCEDRO Cn1nccc1[C@H](CO)[NH2+]CC1(CC#N)CC1 ZINC000602838219 349777447 /nfs/dbraw/zinc/77/74/47/349777447.db2.gz BULOFQOKHFHKTF-JTQLQIEISA-N 1 0 234.303 0.737 20 30 BCEDRO CN(C)C(=O)C1([NH2+]CC2(CC#N)CC2)CC1 ZINC000602839882 349778267 /nfs/dbraw/zinc/77/82/67/349778267.db2.gz KMTAIAQKURYEIA-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO N#CCC1(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)CC1 ZINC000602840118 349778286 /nfs/dbraw/zinc/77/82/86/349778286.db2.gz LPDDUAOZVWTANA-URLYPYJESA-N 1 0 206.289 0.850 20 30 BCEDRO COCC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856284 349788720 /nfs/dbraw/zinc/78/87/20/349788720.db2.gz YMHZRKVADWLPGN-QWRGUYRKSA-N 1 0 211.309 0.551 20 30 BCEDRO COCC[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856283 349788820 /nfs/dbraw/zinc/78/88/20/349788820.db2.gz YMHZRKVADWLPGN-PHIMTYICSA-N 1 0 211.309 0.551 20 30 BCEDRO CNC(=O)CC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856864 349789276 /nfs/dbraw/zinc/78/92/76/349789276.db2.gz NWZPGBYVXHEACH-GHMZBOCLSA-N 1 0 238.335 0.041 20 30 BCEDRO CC[C@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849759 349784539 /nfs/dbraw/zinc/78/45/39/349784539.db2.gz NMXGUCKKZVHKGA-SRVKXCTJSA-N 1 0 225.336 0.675 20 30 BCEDRO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000602853313 349787061 /nfs/dbraw/zinc/78/70/61/349787061.db2.gz XFQKVFFNGABNRU-SRVKXCTJSA-N 1 0 224.304 0.762 20 30 BCEDRO C=C(C)CN1CCO[C@@H](CNC(C)=O)C1 ZINC000172190442 187227518 /nfs/dbraw/zinc/22/75/18/187227518.db2.gz WFZWXJHRGOCBBA-NSHDSACASA-N 1 0 212.293 0.399 20 30 BCEDRO Cn1cc(C[NH2+][C@@]2(CO)CCOC2)cc1C#N ZINC000191592813 187228889 /nfs/dbraw/zinc/22/88/89/187228889.db2.gz DQARYSRJNXHUIY-GFCCVEGCSA-N 1 0 235.287 0.138 20 30 BCEDRO C[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1C ZINC000246688487 362023831 /nfs/dbraw/zinc/02/38/31/362023831.db2.gz KCEMOODHTDGBMY-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C(C)CN(CC)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418669938 192059794 /nfs/dbraw/zinc/05/97/94/192059794.db2.gz KJHQMFKPCQVVKU-URLYPYJESA-N 1 0 223.320 0.812 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000380103414 343096352 /nfs/dbraw/zinc/09/63/52/343096352.db2.gz XWPUHCGAKPWGPE-GHMZBOCLSA-N 1 0 238.331 0.217 20 30 BCEDRO C=C(Cl)CNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000261543497 187234133 /nfs/dbraw/zinc/23/41/33/187234133.db2.gz HXHVVCTWVJXFLC-SECBINFHSA-N 1 0 232.711 0.624 20 30 BCEDRO C=CCCCn1cc(CC[C@H](O)C[NH3+])nn1 ZINC000640936163 362074195 /nfs/dbraw/zinc/07/41/95/362074195.db2.gz PNRTUTMHVAVGEP-NSHDSACASA-N 1 0 224.308 0.497 20 30 BCEDRO C=CCCCCn1cc(CC[C@@H](O)C[NH3+])nn1 ZINC000640939976 362075388 /nfs/dbraw/zinc/07/53/88/362075388.db2.gz ZOTIWHDJVWGULD-GFCCVEGCSA-N 1 0 238.335 0.887 20 30 BCEDRO C#CC[C@H]([NH2+]CC(N)=O)c1ccccc1 ZINC000271703428 187237289 /nfs/dbraw/zinc/23/72/89/187237289.db2.gz NALNELPRQZRLEI-NSHDSACASA-N 1 0 202.257 0.826 20 30 BCEDRO N#CCCOCC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000339082992 136271207 /nfs/dbraw/zinc/27/12/07/136271207.db2.gz HNVRGKZKXZLGES-TUAOUCFPSA-N 1 0 224.304 0.619 20 30 BCEDRO C[C@@H](O)[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339080104 136271308 /nfs/dbraw/zinc/27/13/08/136271308.db2.gz FVIURYIHKRPZHP-MNOVXSKESA-N 1 0 212.293 0.619 20 30 BCEDRO COC[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339004942 136271342 /nfs/dbraw/zinc/27/13/42/136271342.db2.gz ZTYBVKHCZFDGQS-LLVKDONJSA-N 1 0 212.293 0.885 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1CC12CCCC2 ZINC000263235753 536852469 /nfs/dbraw/zinc/85/24/69/536852469.db2.gz DOVKINKUEAUSQD-SECBINFHSA-N 1 0 211.309 0.870 20 30 BCEDRO C#CCOc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000278407129 187239655 /nfs/dbraw/zinc/23/96/55/187239655.db2.gz PEWACEBFBQZPSO-KBPBESRZSA-N 1 0 247.294 0.236 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCOC[C@@H]1C ZINC000279949610 187241312 /nfs/dbraw/zinc/24/13/12/187241312.db2.gz OLDNAVBJFZHPCO-QWRGUYRKSA-N 1 0 224.304 0.141 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]([NH3+])C[C@H]1C ZINC000133610965 343185270 /nfs/dbraw/zinc/18/52/70/343185270.db2.gz DOMNVKLATXAPMP-ZJUUUORDSA-N 1 0 211.309 0.100 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]([NH3+])C[C@@H]1C ZINC000133610768 343185353 /nfs/dbraw/zinc/18/53/53/343185353.db2.gz DOMNVKLATXAPMP-VHSXEESVSA-N 1 0 211.309 0.100 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(CO)(OC)CC1 ZINC000683678298 488206039 /nfs/dbraw/zinc/20/60/39/488206039.db2.gz HRISVALGFAANLY-LLVKDONJSA-N 1 0 229.320 0.397 20 30 BCEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@@H](O)C1(C)C ZINC000186872067 136275598 /nfs/dbraw/zinc/27/55/98/136275598.db2.gz CWNGJSWYGMRFIL-DTWKUNHWSA-N 1 0 211.309 0.626 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000083251313 349800922 /nfs/dbraw/zinc/80/09/22/349800922.db2.gz DUIYNPUOHYSLMG-LBPRGKRZSA-N 1 0 228.336 0.187 20 30 BCEDRO COc1ccc([C@H](O)CNC(=[NH2+])NC2CC2)cc1 ZINC000264096025 136281333 /nfs/dbraw/zinc/28/13/33/136281333.db2.gz MSPNVPATYXMPIW-GFCCVEGCSA-N 1 0 249.314 0.795 20 30 BCEDRO C[C@H](CC#N)NCCc1nnn(C(C)(C)C)n1 ZINC000602871306 349802492 /nfs/dbraw/zinc/80/24/92/349802492.db2.gz QOCLNDRXAABCBQ-SECBINFHSA-N 1 0 236.323 0.862 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000418698558 192061689 /nfs/dbraw/zinc/06/16/89/192061689.db2.gz NCZPBZPPURKKOW-IVZWLZJFSA-N 1 0 229.324 0.348 20 30 BCEDRO C[C@H](C#N)CN(C(=O)C[NH+](C)C)C1CC1 ZINC000339014283 136280255 /nfs/dbraw/zinc/28/02/55/136280255.db2.gz PIEVZVNLKKNWAW-SECBINFHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)NC(=O)NC ZINC000120106434 136292153 /nfs/dbraw/zinc/29/21/53/136292153.db2.gz GFUCEHHOGYFVLL-SECBINFHSA-N 1 0 227.308 0.729 20 30 BCEDRO C[C@](O)(CCNC(N)=[NH2+])c1ccccc1 ZINC000275032230 136285510 /nfs/dbraw/zinc/28/55/10/136285510.db2.gz CLUKELJLHGUPIU-NSHDSACASA-N 1 0 207.277 0.558 20 30 BCEDRO CCc1ccc([C@H](O)CNC(=[NH2+])NC)cc1 ZINC000284945155 136287092 /nfs/dbraw/zinc/28/70/92/136287092.db2.gz DKSHNUVPDFIXDV-LLVKDONJSA-N 1 0 221.304 0.817 20 30 BCEDRO C=C(C)CCn1cc(COCC[NH3+])nn1 ZINC000641069340 362181333 /nfs/dbraw/zinc/18/13/33/362181333.db2.gz GLLJGTGRDPHWSX-UHFFFAOYSA-N 1 0 210.281 0.720 20 30 BCEDRO C=C(C)CCn1cc(CC[C@@H](O)C[NH3+])nn1 ZINC000641069818 362181579 /nfs/dbraw/zinc/18/15/79/362181579.db2.gz OOMIKAMYLVNGGN-LLVKDONJSA-N 1 0 224.308 0.497 20 30 BCEDRO C=C(C)CCn1cc(CC[C@H](O)C[NH3+])nn1 ZINC000641069819 362181812 /nfs/dbraw/zinc/18/18/12/362181812.db2.gz OOMIKAMYLVNGGN-NSHDSACASA-N 1 0 224.308 0.497 20 30 BCEDRO C=C(C)CCn1cc(C[C@H]([NH3+])CO)nn1 ZINC000641070028 362182968 /nfs/dbraw/zinc/18/29/68/362182968.db2.gz SZWIIGHFGLKNDP-VIFPVBQESA-N 1 0 210.281 0.106 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000669555258 488215856 /nfs/dbraw/zinc/21/58/56/488215856.db2.gz MBBWCPHQTOKURB-QWRGUYRKSA-N 1 0 241.335 0.486 20 30 BCEDRO C=CCOCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000669555233 488215881 /nfs/dbraw/zinc/21/58/81/488215881.db2.gz KBNVBMDDRQBTEC-NSHDSACASA-N 1 0 241.335 0.712 20 30 BCEDRO C=CCOCCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000669555273 488215972 /nfs/dbraw/zinc/21/59/72/488215972.db2.gz NBPUWTIKSCCIRM-UHFFFAOYSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000669555264 488216105 /nfs/dbraw/zinc/21/61/05/488216105.db2.gz MIKIXCAGXHYTGI-WDEREUQCSA-N 1 0 241.335 0.758 20 30 BCEDRO N#Cc1nccc(N2CCC[C@H](CC[NH3+])C2)n1 ZINC000310249984 343401393 /nfs/dbraw/zinc/40/13/93/343401393.db2.gz KFLQUSILTHNFEE-SNVBAGLBSA-N 1 0 231.303 0.913 20 30 BCEDRO N#CCCCC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000602910369 349807715 /nfs/dbraw/zinc/80/77/15/349807715.db2.gz XMDPQFPJLRQXMP-GFCCVEGCSA-N 1 0 249.318 0.673 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc([C@](C)([NH3+])CC)nn1 ZINC000641083273 362203584 /nfs/dbraw/zinc/20/35/84/362203584.db2.gz AEEBZBWZPXPHGY-MWLCHTKSSA-N 1 0 224.308 0.972 20 30 BCEDRO CN(CCC#N)C(=O)CC[NH+]1CCCC1 ZINC000034673842 136330570 /nfs/dbraw/zinc/33/05/70/136330570.db2.gz UDTXUFALNFKANW-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000616420585 343429702 /nfs/dbraw/zinc/42/97/02/343429702.db2.gz NJRQNYOQKWPMBF-LOWVWBTDSA-N 1 0 238.331 0.476 20 30 BCEDRO OCCC[N@@H+](CC#Cc1ccccc1)CCO ZINC000276862411 187339558 /nfs/dbraw/zinc/33/95/58/187339558.db2.gz XEHKBPYYZCHFIE-UHFFFAOYSA-N 1 0 233.311 0.715 20 30 BCEDRO CC1(C#N)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000335712652 136337719 /nfs/dbraw/zinc/33/77/19/136337719.db2.gz GGBRVWWEDOKJRU-NSHDSACASA-N 1 0 233.315 0.985 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NCCCC[NH+](C)C ZINC000349322607 136341240 /nfs/dbraw/zinc/34/12/40/136341240.db2.gz MCIUCCKXOKMOQK-UHFFFAOYSA-N 1 0 248.330 0.968 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCCC)CC1 ZINC000042686111 343447565 /nfs/dbraw/zinc/44/75/65/343447565.db2.gz WSEOWVZUXCNWQA-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO COCC[N@@H+]1CC[C@H](NC(=O)C2(C)COC2)C1 ZINC000329312090 136364840 /nfs/dbraw/zinc/36/48/40/136364840.db2.gz CVMZZMBXDDMRBL-JTQLQIEISA-N 1 0 242.319 0.700 20 30 BCEDRO C=CCN1CC[C@@H](n2cc(C[NH2+]CC)nn2)C1=O ZINC000641108901 362227076 /nfs/dbraw/zinc/22/70/76/362227076.db2.gz NRQORHFQOUKSSX-LLVKDONJSA-N 1 0 249.318 0.347 20 30 BCEDRO COCCN(CCC#N)CCCC(=O)OC ZINC000070844702 343513374 /nfs/dbraw/zinc/51/33/74/343513374.db2.gz KLSOKLYJDXACQP-UHFFFAOYSA-N 1 0 228.292 0.802 20 30 BCEDRO N#Cc1nccc(NCC[NH+]2CCC(O)CC2)n1 ZINC000321761380 343532643 /nfs/dbraw/zinc/53/26/43/343532643.db2.gz NYASHYPBYZCJHQ-UHFFFAOYSA-N 1 0 247.302 0.217 20 30 BCEDRO CC[N@H+](C)C[C@H](O)Cn1cc(C#N)c(C)n1 ZINC000580570823 365776400 /nfs/dbraw/zinc/77/64/00/365776400.db2.gz MZYPMXIHKYSIMP-NSHDSACASA-N 1 0 222.292 0.376 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@](C)(C(=O)OC)C1 ZINC000602929211 349821374 /nfs/dbraw/zinc/82/13/74/349821374.db2.gz KNULSPSZUSYNOR-DGCLKSJQSA-N 1 0 239.315 0.767 20 30 BCEDRO C[NH+](C)C[C@H]1CCCN1c1cc(C#N)ncn1 ZINC000379876855 343647163 /nfs/dbraw/zinc/64/71/63/343647163.db2.gz SNFJMVXIMWLCGZ-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@]12C[N@H+](CC3(C#N)CC3)C[C@@]1(C)C(=O)NC2=O ZINC000602937859 349824494 /nfs/dbraw/zinc/82/44/94/349824494.db2.gz UQDWBXSKRXJXMD-TXEJJXNPSA-N 1 0 247.298 0.275 20 30 BCEDRO C=CCN(C[C@H](O)C[N@@H+](C)CC)C1CC1 ZINC000580583295 365793813 /nfs/dbraw/zinc/79/38/13/365793813.db2.gz WGGFRBZYCZUYND-GFCCVEGCSA-N 1 0 212.337 0.949 20 30 BCEDRO N#Cc1cc(N2CCC[C@H]3C[NH2+]CC[C@H]32)ncn1 ZINC000601979835 343653813 /nfs/dbraw/zinc/65/38/13/343653813.db2.gz DBJFPKZVDFWYLO-CMPLNLGQSA-N 1 0 243.314 0.927 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@H]1C(N)=O ZINC000087595126 343653885 /nfs/dbraw/zinc/65/38/85/343653885.db2.gz RNCIDZHWBPKPRC-VIFPVBQESA-N 1 0 209.293 0.876 20 30 BCEDRO Cc1ncc([C@H](C)[NH2+]CC(=O)NCC#N)s1 ZINC000602957359 349829738 /nfs/dbraw/zinc/82/97/38/349829738.db2.gz SDYXOAQLVJNZRY-ZETCQYMHSA-N 1 0 238.316 0.742 20 30 BCEDRO C[N@H+](C[C@@H]1CNC(=O)C1)[C@H]1CCC[C@@H]1C#N ZINC000602981457 349830604 /nfs/dbraw/zinc/83/06/04/349830604.db2.gz DUEDZZUPMAGMOP-AXFHLTTASA-N 1 0 221.304 0.747 20 30 BCEDRO N#Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3CC2)ncn1 ZINC000311227550 343667912 /nfs/dbraw/zinc/66/79/12/343667912.db2.gz ROTWSKVBPKNHQR-PHIMTYICSA-N 1 0 243.314 0.784 20 30 BCEDRO C=CCOCC[NH2+]C1(CO)CCOCC1 ZINC000338960756 343692585 /nfs/dbraw/zinc/69/25/85/343692585.db2.gz HNXIAYBPGZNLNC-UHFFFAOYSA-N 1 0 215.293 0.320 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCC[C@@H]1C#N ZINC000602982745 349835338 /nfs/dbraw/zinc/83/53/38/349835338.db2.gz XOQARPXSLBNOOV-FRRDWIJNSA-N 1 0 239.363 0.923 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634711644 343701620 /nfs/dbraw/zinc/70/16/20/343701620.db2.gz RZEIKWVOTQWRRJ-OLZOCXBDSA-N 1 0 243.347 0.691 20 30 BCEDRO CC#CC[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339757038 343703063 /nfs/dbraw/zinc/70/30/63/343703063.db2.gz FWCFQDBERNWSQT-STQMWFEESA-N 1 0 223.316 0.919 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](O)CC1 ZINC000339785038 343703100 /nfs/dbraw/zinc/70/31/00/343703100.db2.gz YNTCAPKAEAQLHL-JTQLQIEISA-N 1 0 212.293 0.135 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](O)CC1 ZINC000339785039 343703255 /nfs/dbraw/zinc/70/32/55/343703255.db2.gz YNTCAPKAEAQLHL-SNVBAGLBSA-N 1 0 212.293 0.135 20 30 BCEDRO CC#CCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418723011 192064758 /nfs/dbraw/zinc/06/47/58/192064758.db2.gz NIHIMVLNUUFDFU-MNOVXSKESA-N 1 0 223.320 0.826 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000624405366 343756138 /nfs/dbraw/zinc/75/61/38/343756138.db2.gz IWRPIOVJEGNPGE-UWVGGRQHSA-N 1 0 232.349 0.622 20 30 BCEDRO CC[C@@H](C[NH+]1CCN(CCC#N)CC1)OC ZINC000603016632 349856971 /nfs/dbraw/zinc/85/69/71/349856971.db2.gz IOUWWFRNVQOJSX-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CCOCCC[NH2+][C@](C)(CC)C(N)=O ZINC000309184335 346978294 /nfs/dbraw/zinc/97/82/94/346978294.db2.gz OJRQWYBUGKDHLA-LLVKDONJSA-N 1 0 214.309 0.823 20 30 BCEDRO C[NH+](C)CCOCCNC(=O)CC1(C#N)CC1 ZINC000590322523 346984535 /nfs/dbraw/zinc/98/45/35/346984535.db2.gz LZEQZXWCBUFMPN-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO C=C[C@@H](C)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418746789 192066660 /nfs/dbraw/zinc/06/66/60/192066660.db2.gz YASFGWQXRIWKDE-RNFRBKRXSA-N 1 0 221.251 0.843 20 30 BCEDRO C[N@H+](CCO)Cc1cnc2ccc(C#N)cn12 ZINC000305740014 529920634 /nfs/dbraw/zinc/92/06/34/529920634.db2.gz YAOFCZSWGAQYKK-UHFFFAOYSA-N 1 0 230.271 0.630 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc(C[NH2+]C2CC2)nn1 ZINC000603234545 349892524 /nfs/dbraw/zinc/89/25/24/349892524.db2.gz MCPJLWLXCYUJJL-JTQLQIEISA-N 1 0 236.275 0.430 20 30 BCEDRO N#CC1(Cn2cc(C[C@@H]3CC[NH2+]C3)nn2)CC1 ZINC000603226897 349889726 /nfs/dbraw/zinc/88/97/26/349889726.db2.gz HJYFDBVXMWMGDB-JTQLQIEISA-N 1 0 231.303 0.734 20 30 BCEDRO N#CC1(Cn2cc(CSCC[NH3+])nn2)CC1 ZINC000603227185 349889912 /nfs/dbraw/zinc/88/99/12/349889912.db2.gz NNDNABTUHARKEI-UHFFFAOYSA-N 1 0 237.332 0.774 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000418794183 192067856 /nfs/dbraw/zinc/06/78/56/192067856.db2.gz PEZZJOGFHZNMJG-QJPTWQEYSA-N 1 0 235.331 0.697 20 30 BCEDRO C[C@@H](CC#N)[NH2+]CCC(=O)N1CCOCC1 ZINC000157063723 343906388 /nfs/dbraw/zinc/90/63/88/343906388.db2.gz LZRDDCSKYZQFLW-JTQLQIEISA-N 1 0 225.292 0.127 20 30 BCEDRO CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000334804314 343908467 /nfs/dbraw/zinc/90/84/67/343908467.db2.gz AJRLOGUZGZOPPR-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418794692 192067971 /nfs/dbraw/zinc/06/79/71/192067971.db2.gz RMBFFDNNDNAQIS-NXEZZACHSA-N 1 0 209.293 0.436 20 30 BCEDRO N#C[C@@H](c1ccccc1)n1cc(CC[NH3+])nn1 ZINC000603220685 349896837 /nfs/dbraw/zinc/89/68/37/349896837.db2.gz GWASIWSWVIELCM-LBPRGKRZSA-N 1 0 227.271 0.892 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CC2(CO)COC2)C1 ZINC000625701458 344042196 /nfs/dbraw/zinc/04/21/96/344042196.db2.gz RUNXXWAKTDMDGO-LLVKDONJSA-N 1 0 211.305 0.893 20 30 BCEDRO C=CCC[C@@H](O)Cn1cc(CC[NH3+])nn1 ZINC000641211801 362273304 /nfs/dbraw/zinc/27/33/04/362273304.db2.gz BZBDWBFRWHYYKH-SNVBAGLBSA-N 1 0 210.281 0.106 20 30 BCEDRO C=CCC[C@H](O)Cn1cc([C@H](C)[NH2+]C)nn1 ZINC000641212739 362275264 /nfs/dbraw/zinc/27/52/64/362275264.db2.gz PVLKLISGAKCYEW-UWVGGRQHSA-N 1 0 224.308 0.886 20 30 BCEDRO C=CCC[C@@H](O)Cn1cc(C[NH2+]CC)nn1 ZINC000641212906 362275321 /nfs/dbraw/zinc/27/53/21/362275321.db2.gz UECQHSZEDXUNDC-LLVKDONJSA-N 1 0 224.308 0.715 20 30 BCEDRO C[C@H]1CN(Cc2ccc(C#N)o2)CC[NH2+]1 ZINC000092454908 343956934 /nfs/dbraw/zinc/95/69/34/343956934.db2.gz ZLBSBYFOEQIWGE-VIFPVBQESA-N 1 0 205.261 0.945 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000187948258 259372102 /nfs/dbraw/zinc/37/21/02/259372102.db2.gz CZOQPBVNWYXPII-YPMHNXCESA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CCNS(=O)(=O)CC)C1 ZINC000625701847 344052888 /nfs/dbraw/zinc/05/28/88/344052888.db2.gz TZASMHRWCAMOGZ-LLVKDONJSA-N 1 0 246.376 0.824 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CCCS(=O)(=O)NC)C1 ZINC000625702331 344053744 /nfs/dbraw/zinc/05/37/44/344053744.db2.gz XJWKAQMXNBPFOH-NSHDSACASA-N 1 0 246.376 0.824 20 30 BCEDRO C=C(C)COCC[NH2+][C@H](C)CC(=O)NC ZINC000130809185 344224325 /nfs/dbraw/zinc/22/43/25/344224325.db2.gz XHTZJZYPWQJJIX-SNVBAGLBSA-N 1 0 214.309 0.693 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CCNS(C)(=O)=O ZINC000126796039 344184112 /nfs/dbraw/zinc/18/41/12/344184112.db2.gz RNZHSEBKMOGWBU-SECBINFHSA-N 1 0 220.338 0.480 20 30 BCEDRO COC[C@@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000126897949 344186613 /nfs/dbraw/zinc/18/66/13/344186613.db2.gz AUGNFTVTDXAYPL-JTQLQIEISA-N 1 0 214.309 0.913 20 30 BCEDRO C[NH+](C)C[C@@H](CO)NC(=O)c1ccc(C#N)cc1 ZINC000588863802 344196138 /nfs/dbraw/zinc/19/61/38/344196138.db2.gz STOUIVRICVOROL-LBPRGKRZSA-N 1 0 247.298 0.211 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000290413600 344282306 /nfs/dbraw/zinc/28/23/06/344282306.db2.gz AAFYNHWVEDQCJZ-KXUCPTDWSA-N 1 0 214.309 0.690 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634779635 344312105 /nfs/dbraw/zinc/31/21/05/344312105.db2.gz YGBVZHDMWJPFBE-GRYCIOLGSA-N 1 0 236.315 0.352 20 30 BCEDRO CC[N@@H+]1CCCN(c2cnc(C#N)cn2)CC1 ZINC000133360600 344318828 /nfs/dbraw/zinc/31/88/28/344318828.db2.gz ZTDIVOQDLOTGMV-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO Cn1ccc(CC[NH2+]C[C@H](O)CC2(C#N)CC2)n1 ZINC000600736177 344365764 /nfs/dbraw/zinc/36/57/64/344365764.db2.gz RCWNQFITMNGMJO-GFCCVEGCSA-N 1 0 248.330 0.607 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600749782 344368268 /nfs/dbraw/zinc/36/82/68/344368268.db2.gz RMMWOKOORMCVGQ-NWDGAFQWSA-N 1 0 238.331 0.815 20 30 BCEDRO CC[C@@H](O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600738568 344366556 /nfs/dbraw/zinc/36/65/56/344366556.db2.gz LKNVRWMBLRXOEQ-NXEZZACHSA-N 1 0 212.293 0.402 20 30 BCEDRO CO[C@@H](C)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600745293 344366848 /nfs/dbraw/zinc/36/68/48/344366848.db2.gz FCWPJMXLCMIPTM-UWVGGRQHSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600742017 344367365 /nfs/dbraw/zinc/36/73/65/344367365.db2.gz HZCYGACQNABXTO-VXGBXAGGSA-N 1 0 238.331 0.958 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000600712860 344361810 /nfs/dbraw/zinc/36/18/10/344361810.db2.gz BSFKETSVXLXZKU-GHMZBOCLSA-N 1 0 224.304 0.810 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCCOC2)CC1 ZINC000600718955 344362483 /nfs/dbraw/zinc/36/24/83/344362483.db2.gz AVLHNXWAGWJYDU-WDEREUQCSA-N 1 0 224.304 0.810 20 30 BCEDRO Cn1nccc1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600717763 344362636 /nfs/dbraw/zinc/36/26/36/344362636.db2.gz NJYOOXHAAKRSHC-LLVKDONJSA-N 1 0 234.303 0.564 20 30 BCEDRO CN(C)C(=O)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600718442 344362653 /nfs/dbraw/zinc/36/26/53/344362653.db2.gz XNVGTFOAILEPHE-SNVBAGLBSA-N 1 0 239.319 0.109 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCOC2)CC1 ZINC000600724595 344363663 /nfs/dbraw/zinc/36/36/63/344363663.db2.gz BPWTZMNHJJNUCK-UWVGGRQHSA-N 1 0 210.277 0.420 20 30 BCEDRO C[C@@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C(=O)N(C)C ZINC000600727093 344363717 /nfs/dbraw/zinc/36/37/17/344363717.db2.gz OLFHVZINFADFBK-NXEZZACHSA-N 1 0 239.319 0.107 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCOC2)CC1 ZINC000600724596 344363795 /nfs/dbraw/zinc/36/37/95/344363795.db2.gz BPWTZMNHJJNUCK-VHSXEESVSA-N 1 0 210.277 0.420 20 30 BCEDRO C[C@H](C#N)CNC[C@H](O)C[NH+]1CCCC1 ZINC000600729059 344364092 /nfs/dbraw/zinc/36/40/92/344364092.db2.gz WKSNRWXYIKDURL-MNOVXSKESA-N 1 0 211.309 0.192 20 30 BCEDRO Cc1c(C[NH2+]C[C@H](O)CC2(C#N)CC2)cnn1C ZINC000600729555 344364206 /nfs/dbraw/zinc/36/42/06/344364206.db2.gz BEOBGOVZEGBHKH-GFCCVEGCSA-N 1 0 248.330 0.873 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(C)on1 ZINC000294034345 344310360 /nfs/dbraw/zinc/31/03/60/344310360.db2.gz RVSMWHIPPAGTJC-UHFFFAOYSA-N 1 0 235.287 0.668 20 30 BCEDRO CC(C)[C@@H](CO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600745933 344368294 /nfs/dbraw/zinc/36/82/94/344368294.db2.gz TXTXAAJQVANIKE-VXGBXAGGSA-N 1 0 240.347 0.895 20 30 BCEDRO C[C@@H](O)CCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600746893 344368856 /nfs/dbraw/zinc/36/88/56/344368856.db2.gz YKJPRFLPSIJYDU-MNOVXSKESA-N 1 0 226.320 0.792 20 30 BCEDRO C[NH2+]C1(CNC(=O)CCCC#N)CCC1 ZINC000600826135 344381427 /nfs/dbraw/zinc/38/14/27/344381427.db2.gz MNJYKESZSAIIQQ-UHFFFAOYSA-N 1 0 209.293 0.939 20 30 BCEDRO C=CCNC(=O)CSCC[NH+](C)C ZINC000041365683 344433816 /nfs/dbraw/zinc/43/38/16/344433816.db2.gz ZGOLMRNNDLVJOU-UHFFFAOYSA-N 1 0 202.323 0.583 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)CC1(C#N)CC1 ZINC000590379669 347053031 /nfs/dbraw/zinc/05/30/31/347053031.db2.gz LGPBTLIWAXATNW-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)cc1 ZINC000209380552 344497414 /nfs/dbraw/zinc/49/74/14/344497414.db2.gz ZPFXJJCWRQUZOO-OLZOCXBDSA-N 1 0 241.294 0.992 20 30 BCEDRO CC[N@@H+]1CC[C@@H](Nc2nccc(C#N)n2)C1 ZINC000389373165 344511909 /nfs/dbraw/zinc/51/19/09/344511909.db2.gz ZWKOUAQRXUOWTG-SNVBAGLBSA-N 1 0 217.276 0.854 20 30 BCEDRO CC[N@@H+]1CC[C@H](Nc2nccc(C#N)n2)C1 ZINC000389373164 344512061 /nfs/dbraw/zinc/51/20/61/344512061.db2.gz ZWKOUAQRXUOWTG-JTQLQIEISA-N 1 0 217.276 0.854 20 30 BCEDRO N#Cc1cccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000085283649 344516481 /nfs/dbraw/zinc/51/64/81/344516481.db2.gz WPRDLQKFWIAATH-NXEZZACHSA-N 1 0 214.272 0.609 20 30 BCEDRO N#CCC1(CN2C[C@H]3C[NH2+]C[C@H]3C2)CC1 ZINC000085283363 344516660 /nfs/dbraw/zinc/51/66/60/344516660.db2.gz IEYCBAYHKXMBLB-PHIMTYICSA-N 1 0 205.305 0.831 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)c2cccc(C#N)n2)C1 ZINC000259199726 344551511 /nfs/dbraw/zinc/55/15/11/344551511.db2.gz WUXGTALBBJMBOZ-SNVBAGLBSA-N 1 0 244.298 0.635 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044828042 344551937 /nfs/dbraw/zinc/55/19/37/344551937.db2.gz DLISVMRRWDQODY-VIFPVBQESA-N 1 0 209.293 0.604 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCC(C#N)CC2)C1 ZINC000259328498 344579560 /nfs/dbraw/zinc/57/95/60/344579560.db2.gz DMWZBMPZGSUHSF-LLVKDONJSA-N 1 0 221.304 0.700 20 30 BCEDRO CC(C)[NH2+][C@H]1CCCN(CC(=O)NCC#N)C1 ZINC000609417784 344722629 /nfs/dbraw/zinc/72/26/29/344722629.db2.gz WSZKBCFEVFBJRB-NSHDSACASA-N 1 0 238.335 0.089 20 30 BCEDRO C=C[C@@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000358766457 344732403 /nfs/dbraw/zinc/73/24/03/344732403.db2.gz ICNBMBSTNMHZAC-UWVGGRQHSA-N 1 0 239.319 0.069 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626039460 344690145 /nfs/dbraw/zinc/69/01/45/344690145.db2.gz DBRZEBPDBSNPNH-AOOOYVTPSA-N 1 0 212.293 0.385 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000259859192 344695325 /nfs/dbraw/zinc/69/53/25/344695325.db2.gz GJWJXRVCCJZNQD-QWRGUYRKSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C1CC[NH+](C)CC1 ZINC000259957745 344701930 /nfs/dbraw/zinc/70/19/30/344701930.db2.gz LLLYPOLGMHSTFC-VIFPVBQESA-N 1 0 209.293 0.604 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CCC(CCO)CC1 ZINC000400921746 344705742 /nfs/dbraw/zinc/70/57/42/344705742.db2.gz JYYZWJZCTANCSV-NSHDSACASA-N 1 0 227.304 0.808 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000260172596 344716243 /nfs/dbraw/zinc/71/62/43/344716243.db2.gz UIMPWBAMQGSFLQ-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO CN1CCC[C@H]1C(=O)Nc1ccn(CCC#N)n1 ZINC000117854641 344757778 /nfs/dbraw/zinc/75/77/78/344757778.db2.gz QMXVGTNBPLGCKN-JTQLQIEISA-N 1 0 247.302 0.829 20 30 BCEDRO CN1CCC[C@@H]1C(=O)Nc1ccn(CCC#N)n1 ZINC000117854638 344757936 /nfs/dbraw/zinc/75/79/36/344757936.db2.gz QMXVGTNBPLGCKN-SNVBAGLBSA-N 1 0 247.302 0.829 20 30 BCEDRO CC[C@H]1C[C@H](C)C[N@@H+]1CC(=O)NCC#N ZINC000075021565 344761446 /nfs/dbraw/zinc/76/14/46/344761446.db2.gz FROQNYQQSREYNW-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CC[NH+](CC#C)CCC(=O)NCCCC ZINC000076185612 344799269 /nfs/dbraw/zinc/79/92/69/344799269.db2.gz QXADUZZLHZFIMC-UHFFFAOYSA-N 1 0 220.316 0.861 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(O)(CC)CC1 ZINC000075858582 344785582 /nfs/dbraw/zinc/78/55/82/344785582.db2.gz YCXFRPKPQPLAAY-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C[C@H]1C[C@H](C)C[NH+](CC(=O)NCC#N)C1 ZINC000076667754 344805241 /nfs/dbraw/zinc/80/52/41/344805241.db2.gz JZQMPYQHOXJBSG-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)CN(C)CCOC ZINC000077409180 344823663 /nfs/dbraw/zinc/82/36/63/344823663.db2.gz VZBOYLUJAFLSNZ-LLVKDONJSA-N 1 0 241.335 0.573 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000583377275 344851400 /nfs/dbraw/zinc/85/14/00/344851400.db2.gz KXNSNQOPBHEJCW-NEPJUHHUSA-N 1 0 239.363 0.971 20 30 BCEDRO COCC#CCN1CCc2n[nH]cc2C1 ZINC000678629771 488274581 /nfs/dbraw/zinc/27/45/81/488274581.db2.gz IYYCCBMYMOPUMT-UHFFFAOYSA-N 1 0 205.261 0.418 20 30 BCEDRO COCC#CCN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000678631208 488274595 /nfs/dbraw/zinc/27/45/95/488274595.db2.gz ZQCVEPQGQSRNLC-CYBMUJFWSA-N 1 0 238.331 0.043 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000153282979 344844815 /nfs/dbraw/zinc/84/48/15/344844815.db2.gz PIDZSOXILKTNSB-NEPJUHHUSA-N 1 0 235.331 0.745 20 30 BCEDRO CC#CCN1CCN(Cc2nccn2C)CC1 ZINC000119313851 344845052 /nfs/dbraw/zinc/84/50/52/344845052.db2.gz CDFQCMISHZIOOL-UHFFFAOYSA-N 1 0 232.331 0.561 20 30 BCEDRO COCC#CCN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000678631209 488274729 /nfs/dbraw/zinc/27/47/29/488274729.db2.gz ZQCVEPQGQSRNLC-ZDUSSCGKSA-N 1 0 238.331 0.043 20 30 BCEDRO C#CCN(CC)C(=O)NC1CC[NH+](C)CC1 ZINC000056551813 344897085 /nfs/dbraw/zinc/89/70/85/344897085.db2.gz AVZMYIMXHAMGAO-UHFFFAOYSA-N 1 0 223.320 0.745 20 30 BCEDRO CO[C@H]1C[C@@H](CO)[N@H+](CCCCC#N)C1 ZINC000330549906 344935387 /nfs/dbraw/zinc/93/53/87/344935387.db2.gz RKEUBUUDQZRJJC-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000330445593 344920423 /nfs/dbraw/zinc/92/04/23/344920423.db2.gz HANDYDULPQJNRY-ZJUUUORDSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCNC(=O)C[C@@H]1C ZINC000363491185 344961051 /nfs/dbraw/zinc/96/10/51/344961051.db2.gz SWPVSZLNKYDKJW-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079264453 344949609 /nfs/dbraw/zinc/94/96/09/344949609.db2.gz USDQACCVNVJLOI-WDEREUQCSA-N 1 0 221.304 0.546 20 30 BCEDRO CC#CC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000159416865 187298175 /nfs/dbraw/zinc/29/81/75/187298175.db2.gz FBHAVYBFJOEQIK-UHFFFAOYSA-N 1 0 221.304 0.499 20 30 BCEDRO C[C@@H](CC#N)N(C)CCN1C(=O)CCC1=O ZINC000123810390 345017133 /nfs/dbraw/zinc/01/71/33/345017133.db2.gz AMFBNVXKZJZKFT-VIFPVBQESA-N 1 0 223.276 0.369 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368192415 345028601 /nfs/dbraw/zinc/02/86/01/345028601.db2.gz GFJTWJULMPBSOP-SDDRHHMPSA-N 1 0 238.331 0.788 20 30 BCEDRO C[NH+]1CCC(NC(=O)C(C)(C)C#N)CC1 ZINC000044353357 345032987 /nfs/dbraw/zinc/03/29/87/345032987.db2.gz IHFZEBOGCFVRGL-UHFFFAOYSA-N 1 0 209.293 0.747 20 30 BCEDRO CC#CCCN1C[C@@H](OC)C[C@@H]1C(=O)OC ZINC000155678335 345095000 /nfs/dbraw/zinc/09/50/00/345095000.db2.gz FBNCNJPWJXFGMF-WDEREUQCSA-N 1 0 225.288 0.662 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000226000348 345199755 /nfs/dbraw/zinc/19/97/55/345199755.db2.gz QOLCZQQCOAUZBY-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCOC ZINC000247846886 345320090 /nfs/dbraw/zinc/32/00/90/345320090.db2.gz NBIBRRLCPYQIEO-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO COCCN1CC[C@H]([NH2+]CC2(C#N)CC2)C1 ZINC000381330120 345347186 /nfs/dbraw/zinc/34/71/86/345347186.db2.gz STBICPWFJFCHFS-NSHDSACASA-N 1 0 223.320 0.600 20 30 BCEDRO N#CCCCn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000600967459 345380494 /nfs/dbraw/zinc/38/04/94/345380494.db2.gz HDFAAYOVYKNANW-JTQLQIEISA-N 1 0 219.292 0.734 20 30 BCEDRO CC[C@H](C(=O)N1CCOC[C@H]1C#N)[NH+](C)C ZINC000408471539 345328597 /nfs/dbraw/zinc/32/85/97/345328597.db2.gz SRVSECQJXNHVMQ-NXEZZACHSA-N 1 0 225.292 0.078 20 30 BCEDRO CC#CCN1CCC[N@H+](CC(=O)N(C)C)CC1 ZINC000159132468 345411345 /nfs/dbraw/zinc/41/13/45/345411345.db2.gz JQUUJMDCPUOECE-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO C=CCNC(=O)[C@]1([NH3+])[C@H]2CCCO[C@H]2C1(C)C ZINC000228889073 345413482 /nfs/dbraw/zinc/41/34/82/345413482.db2.gz RAWTVJDSPDDXOT-OPQQBVKSSA-N 1 0 238.331 0.821 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000135735057 345453246 /nfs/dbraw/zinc/45/32/46/345453246.db2.gz FJIKXSRSRSHQQR-SNVBAGLBSA-N 1 0 247.298 0.942 20 30 BCEDRO N#CCCOCC[NH+]1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000378673863 345452012 /nfs/dbraw/zinc/45/20/12/345452012.db2.gz MXVOVNCQHJHHIS-QWRGUYRKSA-N 1 0 209.293 0.068 20 30 BCEDRO N#CCn1cc(CC[NH+]2CCCCC2)nn1 ZINC000600972108 345529346 /nfs/dbraw/zinc/52/93/46/345529346.db2.gz AGHUKDWIDQPKMD-UHFFFAOYSA-N 1 0 219.292 0.830 20 30 BCEDRO N#CCn1cc(CN2CCCCC2)nn1 ZINC000600972344 345538879 /nfs/dbraw/zinc/53/88/79/345538879.db2.gz GUINXWPFVQELGV-UHFFFAOYSA-N 1 0 205.265 0.788 20 30 BCEDRO C#CCN1CCN(c2cccc(F)n2)CC1 ZINC000089592552 345561482 /nfs/dbraw/zinc/56/14/82/345561482.db2.gz DXGDLJSOELKQMC-UHFFFAOYSA-N 1 0 219.263 0.976 20 30 BCEDRO C#CCN(CC#N)CC[C@H]1CCC[N@H+]1C ZINC000281224654 133557314 /nfs/dbraw/zinc/55/73/14/133557314.db2.gz BQXRVJDUGBGLMR-GFCCVEGCSA-N 1 0 205.305 0.929 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@@H]([NH2+]C)C2)C1=O ZINC000563153403 323095976 /nfs/dbraw/zinc/09/59/76/323095976.db2.gz PNEDCSLRCNYXDA-GHMZBOCLSA-N 1 0 223.320 0.067 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@H]([NH2+]C)C2)C1=O ZINC000563153407 323095977 /nfs/dbraw/zinc/09/59/77/323095977.db2.gz PNEDCSLRCNYXDA-MNOVXSKESA-N 1 0 223.320 0.067 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000335896498 345786715 /nfs/dbraw/zinc/78/67/15/345786715.db2.gz PCJVHZNQEHRJLI-NXEZZACHSA-N 1 0 209.293 0.556 20 30 BCEDRO C[C@]1(C(N)=O)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000235739402 345822826 /nfs/dbraw/zinc/82/28/26/345822826.db2.gz XFOSKAWVDDDFTN-NSHDSACASA-N 1 0 221.304 0.878 20 30 BCEDRO C[C@H](CC#N)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601022987 345998852 /nfs/dbraw/zinc/99/88/52/345998852.db2.gz UVMFDKSLSPCBDG-SNVBAGLBSA-N 1 0 249.318 0.477 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635767418 346057986 /nfs/dbraw/zinc/05/79/86/346057986.db2.gz TWZSREFPSOKETO-LLVKDONJSA-N 1 0 240.347 0.629 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635767504 346058131 /nfs/dbraw/zinc/05/81/31/346058131.db2.gz TYYBDMDUCJQJOH-VXGBXAGGSA-N 1 0 240.347 0.629 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C1(C[NH+](C)C)CC1 ZINC000635767420 346058295 /nfs/dbraw/zinc/05/82/95/346058295.db2.gz TWZSREFPSOKETO-NSHDSACASA-N 1 0 240.347 0.629 20 30 BCEDRO C=CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635818626 346079041 /nfs/dbraw/zinc/07/90/41/346079041.db2.gz HTONWADCRZHOEF-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO C=CCN(CCOC)C(=O)C1(C[NH+](C)C)CC1 ZINC000635848668 346089597 /nfs/dbraw/zinc/08/95/97/346089597.db2.gz PLJDZWOUAGFZPS-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635797668 346066320 /nfs/dbraw/zinc/06/63/20/346066320.db2.gz URDQXWJMCDKOTH-SNVBAGLBSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000636005094 346147602 /nfs/dbraw/zinc/14/76/02/346147602.db2.gz BOUHOWATNIIQQS-ZJUUUORDSA-N 1 0 214.309 0.380 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1C(=O)c1cccc(C#N)c1 ZINC000054369855 346186138 /nfs/dbraw/zinc/18/61/38/346186138.db2.gz UPJNORNEUJADHF-SNVBAGLBSA-N 1 0 229.283 0.992 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636091481 346317130 /nfs/dbraw/zinc/31/71/30/346317130.db2.gz LLYOVHUQMSUSBC-IVZWLZJFSA-N 1 0 226.320 0.378 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636112117 346323327 /nfs/dbraw/zinc/32/33/27/346323327.db2.gz OTYQFVDNDUQYFS-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO CNC(=[NH2+])NCCc1ccc(Cl)nc1 ZINC000155511844 346349297 /nfs/dbraw/zinc/34/92/97/346349297.db2.gz IUUYHMNAPRJIJJ-UHFFFAOYSA-N 1 0 212.684 0.812 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H](C)[NH+](C)C ZINC000636200678 346350675 /nfs/dbraw/zinc/35/06/75/346350675.db2.gz RBTGAAOCYJTRGH-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCC[NH2+]C ZINC000419157303 192100904 /nfs/dbraw/zinc/10/09/04/192100904.db2.gz UYMSDBSMHGPOBZ-JTQLQIEISA-N 1 0 241.335 0.183 20 30 BCEDRO C=CCCC[C@H](C)NC(=O)C(=O)NCCC[NH3+] ZINC000419132799 192101002 /nfs/dbraw/zinc/10/10/02/192101002.db2.gz FASJZSBNTFYCLM-JTQLQIEISA-N 1 0 241.335 0.312 20 30 BCEDRO C=Cn1cc(C[NH2+][C@H](CO)CC#CC)cn1 ZINC000641767422 362701469 /nfs/dbraw/zinc/70/14/69/362701469.db2.gz KSNWHRVJKBDGDD-LBPRGKRZSA-N 1 0 219.288 0.848 20 30 BCEDRO C=CCCCNC(=O)NCC[N@H+](CC)CCO ZINC000279437284 166238149 /nfs/dbraw/zinc/23/81/49/166238149.db2.gz ZWPKWKFELOXXET-UHFFFAOYSA-N 1 0 243.351 0.566 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]C1CCC1 ZINC000580064691 346504243 /nfs/dbraw/zinc/50/42/43/346504243.db2.gz PQBDRUOPTKSJJQ-LLVKDONJSA-N 1 0 211.309 0.335 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626169204 346610268 /nfs/dbraw/zinc/61/02/68/346610268.db2.gz HXUHVQOXEWWZAK-SNVBAGLBSA-N 1 0 232.349 0.434 20 30 BCEDRO Cc1nnc(N[C@H](CO)C[NH+](C)C)c(C#N)c1C ZINC000589102073 346664737 /nfs/dbraw/zinc/66/47/37/346664737.db2.gz YSHKBTDEQVIZAM-JTQLQIEISA-N 1 0 249.318 0.300 20 30 BCEDRO N#Cc1cncc(N2CC[N@@H+]3CC[C@H]2C3)n1 ZINC000401343495 346625502 /nfs/dbraw/zinc/62/55/02/346625502.db2.gz TYWOYLPIEUVHEK-JTQLQIEISA-N 1 0 215.260 0.243 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2cccc(C#N)n2)C1 ZINC000589469822 346703752 /nfs/dbraw/zinc/70/37/52/346703752.db2.gz ZXPWPJHYKPWBOC-UHFFFAOYSA-N 1 0 230.271 0.339 20 30 BCEDRO C=CCCCCCNC(=O)C(=O)N(C)CC[NH3+] ZINC000580212461 346688315 /nfs/dbraw/zinc/68/83/15/346688315.db2.gz MLTBPWCMGYBGHK-UHFFFAOYSA-N 1 0 241.335 0.266 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(CC3(C#N)CC3)[C@@H]2C1 ZINC000590012785 346764326 /nfs/dbraw/zinc/76/43/26/346764326.db2.gz YEZRSILDDAXTMI-WDEREUQCSA-N 1 0 205.305 0.926 20 30 BCEDRO CCc1nc(C#N)cc(N[C@@H]2CC[NH2+]C2)n1 ZINC000308241985 346764698 /nfs/dbraw/zinc/76/46/98/346764698.db2.gz KYXDSNFCTQPUQK-MRVPVSSYSA-N 1 0 217.276 0.684 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CSCC#N)C1 ZINC000590043514 346766747 /nfs/dbraw/zinc/76/67/47/346766747.db2.gz BDCXCJKOTDUUJM-UWVGGRQHSA-N 1 0 239.344 0.406 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2cc(C#N)c[nH]2)C1 ZINC000589941596 346754253 /nfs/dbraw/zinc/75/42/53/346754253.db2.gz QVVLIDAJHJUJID-JQWIXIFHSA-N 1 0 244.298 0.662 20 30 BCEDRO C[N@H+](CCOCCC#N)C[C@@H](O)C1CC1 ZINC000590161198 346784302 /nfs/dbraw/zinc/78/43/02/346784302.db2.gz HSWIJKVEESTKNS-LLVKDONJSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@@H](C)COC ZINC000188233349 346795732 /nfs/dbraw/zinc/79/57/32/346795732.db2.gz RRLHXJYHJRVTKV-SECBINFHSA-N 1 0 200.282 0.161 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CC3(C#N)CC3)[C@@H]2C1 ZINC000590444174 347118605 /nfs/dbraw/zinc/11/86/05/347118605.db2.gz LSRNWIUXFRIZPG-WDEREUQCSA-N 1 0 233.315 0.843 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)cn2)C1 ZINC000111277265 347160123 /nfs/dbraw/zinc/16/01/23/347160123.db2.gz AWEJBPXKNRIVDD-LLVKDONJSA-N 1 0 244.298 0.777 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000363912127 347175142 /nfs/dbraw/zinc/17/51/42/347175142.db2.gz WRCAFWHSFWTXFC-SECBINFHSA-N 1 0 236.275 0.498 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000309826729 347177266 /nfs/dbraw/zinc/17/72/66/347177266.db2.gz XLTHFBMTXSJECR-SNVBAGLBSA-N 1 0 226.320 0.836 20 30 BCEDRO C[C@H](CC#N)NS(=O)(=O)CCC[NH+](C)C ZINC000601327638 347214023 /nfs/dbraw/zinc/21/40/23/347214023.db2.gz YCMMVWGPOZNGBB-SECBINFHSA-N 1 0 233.337 0.160 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)Cc1ccnc(C#N)c1 ZINC000310136301 347238672 /nfs/dbraw/zinc/23/86/72/347238672.db2.gz ZKWMSUNCXPMKTR-JTQLQIEISA-N 1 0 235.287 0.128 20 30 BCEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000310322619 347262973 /nfs/dbraw/zinc/26/29/73/347262973.db2.gz XNJQMICSYWQJBD-GFCCVEGCSA-N 1 0 239.319 0.238 20 30 BCEDRO C[NH+](C)CCCS(=O)(=O)N1CC(C)(C#N)C1 ZINC000601408036 347331066 /nfs/dbraw/zinc/33/10/66/347331066.db2.gz JPWZKNHHGZNRIE-UHFFFAOYSA-N 1 0 245.348 0.113 20 30 BCEDRO CO[C@H](C)CNC(=[NH2+])Nc1ccccn1 ZINC000189389581 347301914 /nfs/dbraw/zinc/30/19/14/347301914.db2.gz XDVVJAXKWAHXHU-MRVPVSSYSA-N 1 0 208.265 0.843 20 30 BCEDRO N#CC1CN(C(=O)CCc2c[nH]cn2)C1 ZINC000590485806 347374567 /nfs/dbraw/zinc/37/45/67/347374567.db2.gz PPKGJEHQUHWXTN-UHFFFAOYSA-N 1 0 204.233 0.324 20 30 BCEDRO C[N@H+](CC(=O)N1CC(C#N)C1)[C@@H]1CCSC1 ZINC000590486023 347375942 /nfs/dbraw/zinc/37/59/42/347375942.db2.gz ARBBQCWYSHXSSP-SNVBAGLBSA-N 1 0 239.344 0.406 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)COC)CC1 ZINC000132555577 133662561 /nfs/dbraw/zinc/66/25/61/133662561.db2.gz JTDBUELZPRZKEZ-UHFFFAOYSA-N 1 0 212.293 0.353 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)CCOC ZINC000180031128 133662941 /nfs/dbraw/zinc/66/29/41/133662941.db2.gz IRHVGIXCNBFGEJ-VIFPVBQESA-N 1 0 200.282 0.303 20 30 BCEDRO N#Cc1ncn(CC[NH2+]CC2(O)CCCC2)n1 ZINC000582118161 347384232 /nfs/dbraw/zinc/38/42/32/347384232.db2.gz ZZQWMPLWFYYLTC-UHFFFAOYSA-N 1 0 235.291 0.044 20 30 BCEDRO COCC[N@@H+]1CCCN(C(=O)CC#N)CC1 ZINC000364380969 347397746 /nfs/dbraw/zinc/39/77/46/347397746.db2.gz GKXFGDWLWROVMI-UHFFFAOYSA-N 1 0 225.292 0.081 20 30 BCEDRO N#CC1CN(C(=O)c2ccc3c[nH+]cn3c2)C1 ZINC000590491155 347399065 /nfs/dbraw/zinc/39/90/65/347399065.db2.gz TZTDYDAWWJIOSM-UHFFFAOYSA-N 1 0 226.239 0.930 20 30 BCEDRO COCCNC(=[NH2+])NCc1c(C)noc1C ZINC000195523142 347457252 /nfs/dbraw/zinc/45/72/52/347457252.db2.gz OHCKSKWFQFGFPC-UHFFFAOYSA-N 1 0 226.280 0.342 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](c1ccco1)N1CCCC1 ZINC000195522116 347457353 /nfs/dbraw/zinc/45/73/53/347457353.db2.gz NXFPOIMUBVXJDV-JTQLQIEISA-N 1 0 236.319 0.951 20 30 BCEDRO C#CCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000364548419 347461967 /nfs/dbraw/zinc/46/19/67/347461967.db2.gz VIWRLAMJZGMDER-ZDUSSCGKSA-N 1 0 221.348 0.331 20 30 BCEDRO N#CC1(C[N@H+]2CCC[C@]3(CNC(=O)C3)C2)CC1 ZINC000334320568 347577942 /nfs/dbraw/zinc/57/79/42/347577942.db2.gz HEXFGTCGWAXSSE-ZDUSSCGKSA-N 1 0 233.315 0.892 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000591100914 347619207 /nfs/dbraw/zinc/61/92/07/347619207.db2.gz WPOSBXWWYRDUGR-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000591100915 347619281 /nfs/dbraw/zinc/61/92/81/347619281.db2.gz WPOSBXWWYRDUGR-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000591188215 347631823 /nfs/dbraw/zinc/63/18/23/347631823.db2.gz QNXZQEVVPDTPRD-LBPRGKRZSA-N 1 0 238.331 0.886 20 30 BCEDRO C=CCSCCNC(=O)NC[C@@H](C)[NH3+] ZINC000591348085 347642455 /nfs/dbraw/zinc/64/24/55/347642455.db2.gz FNTVZTQUDNJOCU-MRVPVSSYSA-N 1 0 217.338 0.552 20 30 BCEDRO N#CCC1(CNC(=O)NCC[NH2+]C2CC2)CC1 ZINC000591357526 347644596 /nfs/dbraw/zinc/64/45/96/347644596.db2.gz JKFKWGMVHDMRHI-UHFFFAOYSA-N 1 0 236.319 0.731 20 30 BCEDRO N#CCCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591356684 347644763 /nfs/dbraw/zinc/64/47/63/347644763.db2.gz YGTNXRNNKPBSBR-JTQLQIEISA-N 1 0 224.308 0.731 20 30 BCEDRO CC[NH2+]CCNC(=O)N1CC[C@](F)(C#N)C1 ZINC000591359382 347645122 /nfs/dbraw/zinc/64/51/22/347645122.db2.gz GEWGPFWDKZWQMO-JTQLQIEISA-N 1 0 228.271 0.243 20 30 BCEDRO N#C[C@@]1(F)CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000591359450 347645257 /nfs/dbraw/zinc/64/52/57/347645257.db2.gz GQMVPECJPSNTKR-KOLCDFICSA-N 1 0 240.282 0.386 20 30 BCEDRO CC[NH2+]CCNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000591359391 347645299 /nfs/dbraw/zinc/64/52/99/347645299.db2.gz JTCURBPMNZKRTP-LBPRGKRZSA-N 1 0 238.335 0.931 20 30 BCEDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000591359854 347645303 /nfs/dbraw/zinc/64/53/03/347645303.db2.gz FPLNXFLKSHOBGD-GXSJLCMTSA-N 1 0 242.298 0.617 20 30 BCEDRO CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000591359856 347645481 /nfs/dbraw/zinc/64/54/81/347645481.db2.gz FPLNXFLKSHOBGD-MWLCHTKSSA-N 1 0 242.298 0.617 20 30 BCEDRO C[C@]1(C#N)CCCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000591361400 347645914 /nfs/dbraw/zinc/64/59/14/347645914.db2.gz ADELLFOZXIZEDT-MPPDQPJWSA-N 1 0 248.330 0.539 20 30 BCEDRO Cc1ccc(N2C[C@H]3C[NH2+]C[C@H]3C2)nc1C#N ZINC000591436630 347660482 /nfs/dbraw/zinc/66/04/82/347660482.db2.gz HXTCAWLQVZERSL-PHIMTYICSA-N 1 0 228.299 0.917 20 30 BCEDRO N#CCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000364958209 347606187 /nfs/dbraw/zinc/60/61/87/347606187.db2.gz WZRHVJNEEDVGKD-AXFHLTTASA-N 1 0 221.304 0.876 20 30 BCEDRO N#C[C@]1(C(=O)N2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000591615709 347679627 /nfs/dbraw/zinc/67/96/27/347679627.db2.gz SRRFBZAIOQSLNO-NTZNESFSSA-N 1 0 233.315 0.748 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1c1cncc(C#N)n1 ZINC000577273350 365912221 /nfs/dbraw/zinc/91/22/21/365912221.db2.gz XRNKVARLTXWWKI-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000590753945 347691181 /nfs/dbraw/zinc/69/11/81/347691181.db2.gz XYMJUQRBMYUYFT-ZJUUUORDSA-N 1 0 240.303 0.220 20 30 BCEDRO CC(C)(C#N)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000591758950 347691791 /nfs/dbraw/zinc/69/17/91/347691791.db2.gz CAFOIFFRRTVBTG-JTQLQIEISA-N 1 0 222.292 0.383 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759330 347692022 /nfs/dbraw/zinc/69/20/22/347692022.db2.gz HVQRCORRLDZCEO-NSHDSACASA-N 1 0 238.335 0.332 20 30 BCEDRO CCOCC[C@@H](O)C[NH2+]C[C@@H](C)C#N ZINC000591735055 347693812 /nfs/dbraw/zinc/69/38/12/347693812.db2.gz YHJUYJGUMGHOON-VHSXEESVSA-N 1 0 200.282 0.523 20 30 BCEDRO C[NH+](C)[C@]1(CNCCC#N)CCSC1 ZINC000591748135 347695794 /nfs/dbraw/zinc/69/57/94/347695794.db2.gz YZCODEIEUUEEKV-JTQLQIEISA-N 1 0 213.350 0.927 20 30 BCEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000592217431 347762762 /nfs/dbraw/zinc/76/27/62/347762762.db2.gz MJDUWWGZFAQEMA-QXEWZRGKSA-N 1 0 242.298 0.759 20 30 BCEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CC[C@](F)(C#N)C1 ZINC000592217429 347762765 /nfs/dbraw/zinc/76/27/65/347762765.db2.gz MJDUWWGZFAQEMA-NGZCFLSTSA-N 1 0 242.298 0.759 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000592129424 347739271 /nfs/dbraw/zinc/73/92/71/347739271.db2.gz BLLOOQQCGKDSSA-GHMZBOCLSA-N 1 0 225.288 0.377 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150730 347742022 /nfs/dbraw/zinc/74/20/22/347742022.db2.gz IBPAABVSFFYUBY-NWDGAFQWSA-N 1 0 224.304 0.664 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000592152843 347743859 /nfs/dbraw/zinc/74/38/59/347743859.db2.gz FORRRWFHUWMLED-NEPJUHHUSA-N 1 0 224.304 0.763 20 30 BCEDRO COC(=O)C1(C[N@@H+]2CC[C@@](O)(CC#N)C2)CC1 ZINC000592153801 347744160 /nfs/dbraw/zinc/74/41/60/347744160.db2.gz OYQNRNRIHDNZJD-LBPRGKRZSA-N 1 0 238.287 0.290 20 30 BCEDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000592154733 347744547 /nfs/dbraw/zinc/74/45/47/347744547.db2.gz UEXADBMWEOHARJ-VXGBXAGGSA-N 1 0 233.271 0.457 20 30 BCEDRO CCc1nn(CC2C[NH2+]C2)c(=O)c(C#N)c1CC ZINC000592158893 347745882 /nfs/dbraw/zinc/74/58/82/347745882.db2.gz ZHEQYBFDXXZGFT-UHFFFAOYSA-N 1 0 246.314 0.459 20 30 BCEDRO CC[N@H+](CCSC)CC(=O)NCC#N ZINC000592205603 347757026 /nfs/dbraw/zinc/75/70/26/347757026.db2.gz XBBXOOMFTKPVGZ-UHFFFAOYSA-N 1 0 215.322 0.311 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N(CC#N)C2CC2)CC[N@@H+]1C ZINC000592752682 347809980 /nfs/dbraw/zinc/80/99/80/347809980.db2.gz ATZCWKDRDOIXPY-MWLCHTKSSA-N 1 0 221.304 0.841 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N2CCOC[C@@H]2C#N)CC[N@@H+]1C ZINC000592767241 347816009 /nfs/dbraw/zinc/81/60/09/347816009.db2.gz QJWHHVFFRNXDRO-OUAUKWLOSA-N 1 0 237.303 0.078 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CC[C@](O)(CC#N)C1 ZINC000592843597 347821145 /nfs/dbraw/zinc/82/11/45/347821145.db2.gz RGPWXXCVVWTYCU-GFCCVEGCSA-N 1 0 239.319 0.205 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000592842430 347821232 /nfs/dbraw/zinc/82/12/32/347821232.db2.gz ZYQXLIADPOYXBL-LBPRGKRZSA-N 1 0 239.319 0.205 20 30 BCEDRO CCCN(C(=O)CC#N)[C@@H]1CC[N@H+](C)C1 ZINC000592828705 347827464 /nfs/dbraw/zinc/82/74/64/347827464.db2.gz IFIIQAIKBJRLGD-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO N#Cc1cnccc1CN1CCCO[C@H](C[NH3+])C1 ZINC000592495850 347788547 /nfs/dbraw/zinc/78/85/47/347788547.db2.gz SMOPNXKTEDWHIB-CYBMUJFWSA-N 1 0 246.314 0.503 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000593018880 347845953 /nfs/dbraw/zinc/84/59/53/347845953.db2.gz BONPTGHVCYRNRY-DTWKUNHWSA-N 1 0 210.281 0.421 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000593018873 347846125 /nfs/dbraw/zinc/84/61/25/347846125.db2.gz BONPTGHVCYRNRY-BDAKNGLRSA-N 1 0 210.281 0.421 20 30 BCEDRO CC[N@H+](CC(=O)NCC#N)[C@@H]1CCCOC1 ZINC000593068669 347849997 /nfs/dbraw/zinc/84/99/97/347849997.db2.gz MYUBVDMWGPMEHF-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO CC[N@H+](CC(=O)NCC#N)[C@H]1CCCOC1 ZINC000593068177 347850417 /nfs/dbraw/zinc/85/04/17/347850417.db2.gz MYUBVDMWGPMEHF-JTQLQIEISA-N 1 0 225.292 0.127 20 30 BCEDRO C[C@H](CCO)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000593108039 347859920 /nfs/dbraw/zinc/85/99/20/347859920.db2.gz KWHFVUYJWZQHSZ-SNVBAGLBSA-N 1 0 239.319 0.252 20 30 BCEDRO C[C@@H](CCO)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000593107247 347859799 /nfs/dbraw/zinc/85/97/99/347859799.db2.gz BUEUKXLJJAVLCJ-NSHDSACASA-N 1 0 241.335 0.451 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCCC[N@H+](C)CCOC ZINC000593410254 347893056 /nfs/dbraw/zinc/89/30/56/347893056.db2.gz MWXSOMOGUWWPNX-NSHDSACASA-N 1 0 241.335 0.621 20 30 BCEDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)CCCC#N ZINC000344923161 133711156 /nfs/dbraw/zinc/71/11/56/133711156.db2.gz UGOJVWSEOOWIPC-VIFPVBQESA-N 1 0 233.337 0.160 20 30 BCEDRO N#CCCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000593708867 347931400 /nfs/dbraw/zinc/93/14/00/347931400.db2.gz RMLGGVJPHJOWFH-UHFFFAOYSA-N 1 0 238.335 0.979 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000593721614 347937105 /nfs/dbraw/zinc/93/71/05/347937105.db2.gz QYQMBANCHOZVLO-MXWKQRLJSA-N 1 0 221.304 0.699 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000593721612 347937146 /nfs/dbraw/zinc/93/71/46/347937146.db2.gz QYQMBANCHOZVLO-GMTAPVOTSA-N 1 0 221.304 0.699 20 30 BCEDRO C[NH2+]C[C@](C)(O)CN1Cc2cccc(C#N)c2C1 ZINC000593731236 347937722 /nfs/dbraw/zinc/93/77/22/347937722.db2.gz UXKVKXBAJDQHAR-AWEZNQCLSA-N 1 0 245.326 0.844 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC[N@H+](C)CCCOC ZINC000593486217 347904936 /nfs/dbraw/zinc/90/49/36/347904936.db2.gz QGBYFNYOQDMUSD-LLVKDONJSA-N 1 0 241.335 0.621 20 30 BCEDRO N#Cc1ccc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)nc1 ZINC000593502900 347907077 /nfs/dbraw/zinc/90/70/77/347907077.db2.gz DUXRYGRUBRWDAC-GFCCVEGCSA-N 1 0 244.298 0.208 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000593538871 347908921 /nfs/dbraw/zinc/90/89/21/347908921.db2.gz RJQMJYIVWOWSKH-HBNTYKKESA-N 1 0 239.319 0.371 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)COc1ccc(C#N)cc1 ZINC000593904877 347968058 /nfs/dbraw/zinc/96/80/58/347968058.db2.gz FWMYUUZVEYCWEC-VIFPVBQESA-N 1 0 233.271 0.400 20 30 BCEDRO CCC[NH2+]CCNC(=O)c1ccc(C#N)c(C)n1 ZINC000593905740 347968519 /nfs/dbraw/zinc/96/85/19/347968519.db2.gz OBEFIOFGCRIOAF-UHFFFAOYSA-N 1 0 246.314 0.991 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000593905640 347968795 /nfs/dbraw/zinc/96/87/95/347968795.db2.gz ZTUGHORHTJSSPX-ZJUUUORDSA-N 1 0 247.298 0.789 20 30 BCEDRO C[NH2+]CC(=O)Nc1n[nH]c2cc(C#N)c(C)cc21 ZINC000593916486 347970465 /nfs/dbraw/zinc/97/04/65/347970465.db2.gz MMZORBBHLPKIRC-UHFFFAOYSA-N 1 0 243.270 0.901 20 30 BCEDRO CC[C@@H](CC#N)NCC(=O)Nc1ccncc1 ZINC000594010394 347985612 /nfs/dbraw/zinc/98/56/12/347985612.db2.gz BMDQRIXRTLDHMC-JTQLQIEISA-N 1 0 232.287 0.724 20 30 BCEDRO CC[C@H](CC#N)NCC(=O)Nc1ccncc1 ZINC000594010395 347985741 /nfs/dbraw/zinc/98/57/41/347985741.db2.gz BMDQRIXRTLDHMC-SNVBAGLBSA-N 1 0 232.287 0.724 20 30 BCEDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000594013966 347989041 /nfs/dbraw/zinc/98/90/41/347989041.db2.gz BJRKBJYOBCXQBG-LLVKDONJSA-N 1 0 244.298 0.521 20 30 BCEDRO N#C[C@H]1CC[C@H](N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000594025192 347991119 /nfs/dbraw/zinc/99/11/19/347991119.db2.gz DGHSQPVUCSJAAY-ZDEQEGDKSA-N 1 0 235.331 0.429 20 30 BCEDRO N#Cc1nccc(N[C@H]2CC[N@H+](CC3CC3)C2)n1 ZINC000594550170 348067448 /nfs/dbraw/zinc/06/74/48/348067448.db2.gz MUBXOZJZNLDRDA-NSHDSACASA-N 1 0 243.314 0.666 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594525398 348069999 /nfs/dbraw/zinc/06/99/99/348069999.db2.gz QVXPOSVYVNSTNU-RITPCOANSA-N 1 0 238.213 0.335 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)NCC2(C#N)CC2)C1 ZINC000594353944 348039052 /nfs/dbraw/zinc/03/90/52/348039052.db2.gz NIUPPZTYXANBBL-JTQLQIEISA-N 1 0 221.304 0.748 20 30 BCEDRO Cn1nccc1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594429590 348044604 /nfs/dbraw/zinc/04/46/04/348044604.db2.gz RSSYPTBLFDAUSF-VIFPVBQESA-N 1 0 235.291 0.770 20 30 BCEDRO CCOCCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594428135 348044616 /nfs/dbraw/zinc/04/46/16/348044616.db2.gz ZQPDJJUIKOIWKN-LLVKDONJSA-N 1 0 241.335 0.940 20 30 BCEDRO CCOC(=O)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594428374 348044752 /nfs/dbraw/zinc/04/47/52/348044752.db2.gz MZUVOYCMSSXVME-SECBINFHSA-N 1 0 241.291 0.077 20 30 BCEDRO CN(C(=O)[C@H]([NH3+])CCCCC#N)[C@@H]1CCOC1 ZINC000594434996 348046657 /nfs/dbraw/zinc/04/66/57/348046657.db2.gz YICUEUBRPZRPBJ-GHMZBOCLSA-N 1 0 239.319 0.645 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCOCC1 ZINC000594424332 348051549 /nfs/dbraw/zinc/05/15/49/348051549.db2.gz ATOGZGHOVDVGCX-JTQLQIEISA-N 1 0 225.292 0.256 20 30 BCEDRO COCC[C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437528 348053789 /nfs/dbraw/zinc/05/37/89/348053789.db2.gz LWVJAWWCDZYWPO-QWRGUYRKSA-N 1 0 241.335 0.939 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccncc1O ZINC000594469368 348053928 /nfs/dbraw/zinc/05/39/28/348053928.db2.gz VSRZJBHVCOIEBT-SECBINFHSA-N 1 0 248.286 0.559 20 30 BCEDRO COCC[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437529 348053941 /nfs/dbraw/zinc/05/39/41/348053941.db2.gz LWVJAWWCDZYWPO-WDEREUQCSA-N 1 0 241.335 0.939 20 30 BCEDRO COCC(C)(C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594439216 348054218 /nfs/dbraw/zinc/05/42/18/348054218.db2.gz OPLKGCOAWHTOQA-JTQLQIEISA-N 1 0 241.335 0.939 20 30 BCEDRO N#Cc1ccncc1N1CC2CC1(C[NH3+])C2 ZINC000594699329 348101838 /nfs/dbraw/zinc/10/18/38/348101838.db2.gz TVNLBKGJASVJDN-UHFFFAOYSA-N 1 0 214.272 0.881 20 30 BCEDRO CC(C)OC[C@H](O)C[NH+]1CC(CC#N)C1 ZINC000594715932 348105572 /nfs/dbraw/zinc/10/55/72/348105572.db2.gz DQZOWXCJPBUMME-LLVKDONJSA-N 1 0 212.293 0.618 20 30 BCEDRO COC[C@H](C)OC[C@@H](O)C[NH+]1CC(CC#N)C1 ZINC000594715990 348105794 /nfs/dbraw/zinc/10/57/94/348105794.db2.gz FRLPEYRUMFJIHM-JQWIXIFHSA-N 1 0 242.319 0.244 20 30 BCEDRO C=CCOCCC[NH2+]C[C@@H](O)CSC ZINC000594731228 348113249 /nfs/dbraw/zinc/11/32/49/348113249.db2.gz GWTWGHIJXUCVPX-SNVBAGLBSA-N 1 0 219.350 0.893 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000594644896 348086483 /nfs/dbraw/zinc/08/64/83/348086483.db2.gz WTOWBNYFOVLZBV-LBPRGKRZSA-N 1 0 238.331 0.790 20 30 BCEDRO N#Cc1cncc(-c2cn(CCC[NH3+])nn2)c1 ZINC000594646648 348087105 /nfs/dbraw/zinc/08/71/05/348087105.db2.gz XRNRJDYLXKIJFW-UHFFFAOYSA-N 1 0 228.259 0.561 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC(C)(C)C[NH+](C)C ZINC000308712710 348160629 /nfs/dbraw/zinc/16/06/29/348160629.db2.gz YQSLWLGJQMNMIR-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000595089740 348191010 /nfs/dbraw/zinc/19/10/10/348191010.db2.gz KEMFFJLIJBHYLD-DCAQKATOSA-N 1 0 221.304 0.937 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000595092654 348193027 /nfs/dbraw/zinc/19/30/27/348193027.db2.gz YPPYCUPTDRXDKK-GUBZILKMSA-N 1 0 207.277 0.547 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1c1cccc(C#N)n1 ZINC000203516914 348199221 /nfs/dbraw/zinc/19/92/21/348199221.db2.gz BZSKSJNLRFXWMP-SECBINFHSA-N 1 0 202.261 0.751 20 30 BCEDRO C[C@H](C[NH3+])C(=O)NCCc1ccc(C#N)cc1 ZINC000595256151 348203807 /nfs/dbraw/zinc/20/38/07/348203807.db2.gz LUQAXTWFRFBWBT-SNVBAGLBSA-N 1 0 231.299 0.812 20 30 BCEDRO C=CCOCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000595258326 348205527 /nfs/dbraw/zinc/20/55/27/348205527.db2.gz BRYNNESVWLVOCQ-LLVKDONJSA-N 1 0 239.319 0.716 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NC[C@H]([NH3+])C2CC2)C1 ZINC000595264698 348207627 /nfs/dbraw/zinc/20/76/27/348207627.db2.gz FVODARXFIWOCGI-JQWIXIFHSA-N 1 0 236.319 0.669 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595264939 348207685 /nfs/dbraw/zinc/20/76/85/348207685.db2.gz HKOZONJQLWECDJ-MWLCHTKSSA-N 1 0 224.308 0.526 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)NCCCCC#N ZINC000595265384 348207744 /nfs/dbraw/zinc/20/77/44/348207744.db2.gz KHGLACOVEHZVSS-SECBINFHSA-N 1 0 212.297 0.587 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)NCC(C)(C)C#N ZINC000595264871 348207746 /nfs/dbraw/zinc/20/77/46/348207746.db2.gz SZMNRTJQCOTMLZ-QMMMGPOBSA-N 1 0 212.297 0.443 20 30 BCEDRO C[NH2+]CCNC(=O)NCCc1ccc(C#N)cc1 ZINC000595267049 348209115 /nfs/dbraw/zinc/20/91/15/348209115.db2.gz FBMGLRJEUJDIAE-UHFFFAOYSA-N 1 0 246.314 0.619 20 30 BCEDRO N#Cc1ccc(CCNC(=O)CC[NH3+])cc1 ZINC000595248590 348209120 /nfs/dbraw/zinc/20/91/20/348209120.db2.gz AWJAHCWYADGTEQ-UHFFFAOYSA-N 1 0 217.272 0.566 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000595267018 348209190 /nfs/dbraw/zinc/20/91/90/348209190.db2.gz DRYFRBIVXGDCFH-PWSUYJOCSA-N 1 0 236.319 0.684 20 30 BCEDRO C[NH2+]CCCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595268166 348209654 /nfs/dbraw/zinc/20/96/54/348209654.db2.gz RJNRQSRTKDWVRZ-NSHDSACASA-N 1 0 224.308 0.541 20 30 BCEDRO CC[NH2+]CCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595269021 348209703 /nfs/dbraw/zinc/20/97/03/348209703.db2.gz YMETWKIOGWGNHO-NSHDSACASA-N 1 0 224.308 0.541 20 30 BCEDRO C[NH2+]CCCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595268165 348209971 /nfs/dbraw/zinc/20/99/71/348209971.db2.gz RJNRQSRTKDWVRZ-LLVKDONJSA-N 1 0 224.308 0.541 20 30 BCEDRO CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595269048 348209980 /nfs/dbraw/zinc/20/99/80/348209980.db2.gz ZCKPLDFBNMHSFJ-ZYHUDNBSSA-N 1 0 238.335 0.915 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N(C)C[C@H](C)C#N ZINC000595275074 348211208 /nfs/dbraw/zinc/21/12/08/348211208.db2.gz FYTXEEAALZXCAO-BDAKNGLRSA-N 1 0 212.297 0.395 20 30 BCEDRO C[C@@]1(C#N)CCC[N@H+](C[C@H]2CNC(=O)C2)C1 ZINC000595423657 348246142 /nfs/dbraw/zinc/24/61/42/348246142.db2.gz GCWUALNKWKYHBA-PWSUYJOCSA-N 1 0 221.304 0.748 20 30 BCEDRO C=CCCS(=O)(=O)NC1CC[NH+](C)CC1 ZINC000360177521 166291245 /nfs/dbraw/zinc/29/12/45/166291245.db2.gz MQAWKBDTWXQFMU-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C[C@H]1CN(CCc2ccc(C#N)cc2)CC(=O)N1 ZINC000595515785 348259773 /nfs/dbraw/zinc/25/97/73/348259773.db2.gz AQXQZZLHAWQDDL-NSHDSACASA-N 1 0 243.310 0.921 20 30 BCEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@@H]1CCNC1=O ZINC000595396136 348237551 /nfs/dbraw/zinc/23/75/51/348237551.db2.gz OSYQJRXYFBKDSW-CYBMUJFWSA-N 1 0 243.310 0.921 20 30 BCEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@H]1CCNC1=O ZINC000595396138 348237613 /nfs/dbraw/zinc/23/76/13/348237613.db2.gz OSYQJRXYFBKDSW-ZDUSSCGKSA-N 1 0 243.310 0.921 20 30 BCEDRO CNC(=O)NC1CC[NH+](CCCC#N)CC1 ZINC000595545666 348267654 /nfs/dbraw/zinc/26/76/54/348267654.db2.gz VONXQXXZRVPLGV-UHFFFAOYSA-N 1 0 224.308 0.684 20 30 BCEDRO N#CC[C@@]1(O)CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000595562356 348281133 /nfs/dbraw/zinc/28/11/33/348281133.db2.gz IUYXMIXKUFBZON-IJLUTSLNSA-N 1 0 224.304 0.640 20 30 BCEDRO C[C@@H]1C[C@H]([N@@H+]2CC[C@@](O)(CC#N)C2)CCO1 ZINC000595563677 348282049 /nfs/dbraw/zinc/28/20/49/348282049.db2.gz TZLVLSNQIRSQKU-UTUOFQBUSA-N 1 0 224.304 0.904 20 30 BCEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000595658202 348298064 /nfs/dbraw/zinc/29/80/64/348298064.db2.gz CDGLQHNPHHZEKB-VHSXEESVSA-N 1 0 240.303 0.846 20 30 BCEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CCCC#N ZINC000595659235 348298483 /nfs/dbraw/zinc/29/84/83/348298483.db2.gz KQVXQDPYHHARIB-DTWKUNHWSA-N 1 0 212.249 0.210 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC000595661813 348300364 /nfs/dbraw/zinc/30/03/64/348300364.db2.gz IQGBBWUGRDYWCB-GARJFASQSA-N 1 0 243.303 0.234 20 30 BCEDRO C[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1CCO ZINC000595706057 348308592 /nfs/dbraw/zinc/30/85/92/348308592.db2.gz XDSXFWOGCZDTEK-MNOVXSKESA-N 1 0 239.319 0.109 20 30 BCEDRO C[N@H+](CCCSCC#N)C[C@H]1COCCO1 ZINC000595739849 348318954 /nfs/dbraw/zinc/31/89/54/348318954.db2.gz KXRJMCNQFHWZMP-NSHDSACASA-N 1 0 244.360 0.980 20 30 BCEDRO C[C@@H](CNC[C@@H](C#N)CCC#N)[NH+](C)C ZINC000309006589 323184213 /nfs/dbraw/zinc/18/42/13/323184213.db2.gz QBBRCSMPALWQMG-WDEREUQCSA-N 1 0 208.309 0.970 20 30 BCEDRO C=CC[N@@H+](CCC(=O)NC(N)=O)C(C)(C)C ZINC000595763243 348333311 /nfs/dbraw/zinc/33/33/11/348333311.db2.gz LSIRUAOANBNWPV-UHFFFAOYSA-N 1 0 227.308 0.858 20 30 BCEDRO C[C@H](O)[C@H]1CCC[N@@H+]1CCOCCC#N ZINC000595767513 348334950 /nfs/dbraw/zinc/33/49/50/348334950.db2.gz YEEKDBAYOBXIAZ-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO CN1CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)CCC1=O ZINC000595772829 348337454 /nfs/dbraw/zinc/33/74/54/348337454.db2.gz ODTCMJAYCMAZAX-WDEREUQCSA-N 1 0 221.304 0.843 20 30 BCEDRO CN(C)C(=O)CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595838697 348372672 /nfs/dbraw/zinc/37/26/72/348372672.db2.gz DEMGBVTWNFFOHP-NSHDSACASA-N 1 0 209.293 0.700 20 30 BCEDRO CCNC(=O)CC[N@@H+]1CC[C@@](C)(C#N)C1 ZINC000595839771 348373272 /nfs/dbraw/zinc/37/32/72/348373272.db2.gz KXWPNOTXABHFQL-NSHDSACASA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@@]1(C#N)CC[N@H+](CC2(O)CCOCC2)C1 ZINC000595840493 348374190 /nfs/dbraw/zinc/37/41/90/348374190.db2.gz OPARGYKGPWLPJE-NSHDSACASA-N 1 0 224.304 0.763 20 30 BCEDRO C[C@@]1(C#N)CC[N@H+](C[C@]2(O)CCCOC2)C1 ZINC000595842126 348377326 /nfs/dbraw/zinc/37/73/26/348377326.db2.gz PREDTKOAGIFYJP-NWDGAFQWSA-N 1 0 224.304 0.763 20 30 BCEDRO C[C@@]1(C#N)CC[N@H+](CC[C@@H]2CCNC2=O)C1 ZINC000595842217 348378249 /nfs/dbraw/zinc/37/82/49/348378249.db2.gz QASIPDFVANSCOQ-JQWIXIFHSA-N 1 0 221.304 0.748 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000595864358 348384394 /nfs/dbraw/zinc/38/43/94/348384394.db2.gz ZQMLAMMAUODXGD-ZYHUDNBSSA-N 1 0 239.319 0.177 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC1(CC(=O)OC)CC1 ZINC000595872868 348386186 /nfs/dbraw/zinc/38/61/86/348386186.db2.gz IKGAHCVLFDIWFS-SECBINFHSA-N 1 0 213.277 0.466 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCSCCOC ZINC000595873610 348387132 /nfs/dbraw/zinc/38/71/32/348387132.db2.gz NPQUBOJYPFXSHD-SNVBAGLBSA-N 1 0 219.350 0.893 20 30 BCEDRO CN(C)C(=O)N(C)[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000595822998 348364218 /nfs/dbraw/zinc/36/42/18/348364218.db2.gz BYPNZLFHLVAUFA-LLVKDONJSA-N 1 0 238.335 0.978 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H](CO)C1CCC1 ZINC000595962296 348405202 /nfs/dbraw/zinc/40/52/02/348405202.db2.gz JPHCBHYJOSTQRK-GHMZBOCLSA-N 1 0 239.319 0.285 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H](CO)C1CCC1 ZINC000595962297 348405561 /nfs/dbraw/zinc/40/55/61/348405561.db2.gz JPHCBHYJOSTQRK-MNOVXSKESA-N 1 0 239.319 0.285 20 30 BCEDRO N#Cc1ccc(CCNC(=O)[C@H]2C[C@H]([NH3+])C2)cc1 ZINC000595962264 348405571 /nfs/dbraw/zinc/40/55/71/348405571.db2.gz IVAHRZPGHMLAMD-JOCQHMNTSA-N 1 0 243.310 0.954 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)CC2([NH3+])CC2)C1 ZINC000595963998 348406360 /nfs/dbraw/zinc/40/63/60/348406360.db2.gz OHHLNMMAHNIZAG-DTWKUNHWSA-N 1 0 207.277 0.676 20 30 BCEDRO C[C@]1(C#N)CCN([C@@H]2CC(=O)N(C3CC3)C2=O)C1 ZINC000596010465 348412880 /nfs/dbraw/zinc/41/28/80/348412880.db2.gz AQJNAAABFJMQDE-ZWNOBZJWSA-N 1 0 247.298 0.512 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2CCCC[NH2+]2)C1 ZINC000595979696 348414327 /nfs/dbraw/zinc/41/43/27/348414327.db2.gz CLWJYWCHDJKHDU-CMPLNLGQSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000595980128 348414893 /nfs/dbraw/zinc/41/48/93/348414893.db2.gz GGFILCZKOSBACS-OIBJUYFYSA-N 1 0 231.246 0.731 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)CCCC[NH3+])C1 ZINC000595980409 348415013 /nfs/dbraw/zinc/41/50/13/348415013.db2.gz HUZJRXDZGZWJCL-LLVKDONJSA-N 1 0 209.293 0.878 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@@H]([NH3+])CC(F)F)C1 ZINC000595980130 348415054 /nfs/dbraw/zinc/41/50/54/348415054.db2.gz GGFILCZKOSBACS-XVKPBYJWSA-N 1 0 231.246 0.731 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@H]([NH3+])CC(F)F)C1 ZINC000595980127 348415124 /nfs/dbraw/zinc/41/51/24/348415124.db2.gz GGFILCZKOSBACS-GMSGAONNSA-N 1 0 231.246 0.731 20 30 BCEDRO C[C@@H]([NH3+])CCC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595981075 348415737 /nfs/dbraw/zinc/41/57/37/348415737.db2.gz MBKWZJMAZOEGAR-KOLCDFICSA-N 1 0 209.293 0.876 20 30 BCEDRO CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595981067 348415908 /nfs/dbraw/zinc/41/59/08/348415908.db2.gz LZJFPKVDAXBDPL-CABZTGNLSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000595982434 348417461 /nfs/dbraw/zinc/41/74/61/348417461.db2.gz VFAITXYLIQCYTG-MWGHHZFTSA-N 1 0 219.288 0.499 20 30 BCEDRO C[NH2+]C[C@](C)(O)CN1CC[C@](C)(C#N)C1 ZINC000595904659 348395944 /nfs/dbraw/zinc/39/59/44/348395944.db2.gz KCDYXPLYNVAAMY-MNOVXSKESA-N 1 0 211.309 0.192 20 30 BCEDRO C[C@]1(C#N)CCN(C[C@H]2C[NH2+]CCO2)C1 ZINC000595905628 348395962 /nfs/dbraw/zinc/39/59/62/348395962.db2.gz WMHDUFYQOJVDPL-GHMZBOCLSA-N 1 0 209.293 0.210 20 30 BCEDRO COC(=O)c1ccc(NC2C[NH2+]C2)c(C#N)n1 ZINC000596014033 348429956 /nfs/dbraw/zinc/42/99/56/348429956.db2.gz KVYQJYBEBISYIO-UHFFFAOYSA-N 1 0 232.243 0.124 20 30 BCEDRO N#Cc1cncnc1N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000596017020 348431264 /nfs/dbraw/zinc/43/12/64/348431264.db2.gz ZLQQXZFDAQCHCC-ZDUSSCGKSA-N 1 0 243.314 0.928 20 30 BCEDRO C[NH+](C)CCCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000596084245 348431860 /nfs/dbraw/zinc/43/18/60/348431860.db2.gz YLHHMLJCCZMUDM-LBPRGKRZSA-N 1 0 238.335 0.883 20 30 BCEDRO C[C@H]1[C@@H](C)[N@@H+](CC(=O)NCC#N)C[C@H]1C ZINC000419378034 192133230 /nfs/dbraw/zinc/13/32/30/192133230.db2.gz VLKVQXYQNDZSHG-OPRDCNLKSA-N 1 0 209.293 0.602 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000603553876 349992187 /nfs/dbraw/zinc/99/21/87/349992187.db2.gz AJPGICZNVOGBCG-GFCCVEGCSA-N 1 0 240.347 0.989 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)NCC1(C#N)CCC1 ZINC000419510014 192138166 /nfs/dbraw/zinc/13/81/66/192138166.db2.gz GJJCCZKCQAZBOW-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H](CNc1c(C#N)cnn1C)[NH+](C)C ZINC000596089790 348444334 /nfs/dbraw/zinc/44/43/34/348444334.db2.gz JVTRLSJRACLRLY-QMMMGPOBSA-N 1 0 207.281 0.654 20 30 BCEDRO CC[N@@H+]1CCN(c2cc(C#N)cnn2)[C@H](C)C1 ZINC000596231313 348472092 /nfs/dbraw/zinc/47/20/92/348472092.db2.gz PWMDNNNBGYJPOU-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(C#N)c[nH]1 ZINC000596463966 348543693 /nfs/dbraw/zinc/54/36/93/348543693.db2.gz BHCQGKKPPZWWPH-UHFFFAOYSA-N 1 0 232.287 0.520 20 30 BCEDRO CN(CC1C[NH+](C)C1)c1cc(C#N)cnn1 ZINC000596452088 348552047 /nfs/dbraw/zinc/55/20/47/348552047.db2.gz BTYJBDVIOZPEIV-UHFFFAOYSA-N 1 0 217.276 0.346 20 30 BCEDRO C[C@@H](O)[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000419801269 192145123 /nfs/dbraw/zinc/14/51/23/192145123.db2.gz BNMZTMIESZMZMH-BXKDBHETSA-N 1 0 220.272 0.390 20 30 BCEDRO C[C@H](CCNc1ncncc1C#N)[NH+](C)C ZINC000596428713 348530275 /nfs/dbraw/zinc/53/02/75/348530275.db2.gz GYPZKXNQEOTVCC-SECBINFHSA-N 1 0 219.292 0.522 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1C(=O)NC ZINC000268597021 166303720 /nfs/dbraw/zinc/30/37/20/166303720.db2.gz WRFJYMCMYSWFJC-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@@H](CC#N)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000597162379 348667028 /nfs/dbraw/zinc/66/70/28/348667028.db2.gz IRMFUORNVWJJPI-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@H]1CCCCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420035927 192158994 /nfs/dbraw/zinc/15/89/94/192158994.db2.gz ZJAJXLKOJKCCPJ-UWVGGRQHSA-N 1 0 239.319 0.017 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)CC#N)C1 ZINC000597172635 348669010 /nfs/dbraw/zinc/66/90/10/348669010.db2.gz ILDWVVOXHMBGJH-GHMZBOCLSA-N 1 0 239.319 0.373 20 30 BCEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1ncc[nH]1 ZINC000596926406 348634621 /nfs/dbraw/zinc/63/46/21/348634621.db2.gz OXTOTEQFAMXVLF-UHFFFAOYSA-N 1 0 249.318 0.717 20 30 BCEDRO C[C@H](CC#N)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596928546 348634849 /nfs/dbraw/zinc/63/48/49/348634849.db2.gz QVAIJTUTRCVHTO-NXEZZACHSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@@]1(NC(=O)N[C@@H]2CC[C@H](C#N)C2)CC[NH2+]C1 ZINC000597434727 348736019 /nfs/dbraw/zinc/73/60/19/348736019.db2.gz SOLRZTXQSYAMKD-HOSYDEDBSA-N 1 0 236.319 0.730 20 30 BCEDRO CN1CCN(Cc2ccc(C#N)o2)CCC1=O ZINC000597214350 348689517 /nfs/dbraw/zinc/68/95/17/348689517.db2.gz OCJRQIPLUKIGOY-UHFFFAOYSA-N 1 0 233.271 0.815 20 30 BCEDRO C[C@H](CC#N)C(=O)NCCCC[NH+](C)C ZINC000597224130 348694441 /nfs/dbraw/zinc/69/44/41/348694441.db2.gz YKSWOGIIRIEAEL-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN(C)[C@H](C)CC#N ZINC000308811666 348698763 /nfs/dbraw/zinc/69/87/63/348698763.db2.gz HKWVMIYVYVNLTG-GHMZBOCLSA-N 1 0 213.325 0.533 20 30 BCEDRO C[C@H](CC#N)C(=O)NC(C)(C)C[NH+](C)C ZINC000597759266 348798123 /nfs/dbraw/zinc/79/81/23/348798123.db2.gz HVHOKXDNOFZDPY-SECBINFHSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597531263 348756609 /nfs/dbraw/zinc/75/66/09/348756609.db2.gz BKRTZXSQUQPEKV-IVZWLZJFSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H](C#N)C(=O)NCC12CCC[NH+]1CCC2 ZINC000597587420 348758946 /nfs/dbraw/zinc/75/89/46/348758946.db2.gz SYCHYDZJLMQPBE-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO N#CCC(=O)N1CC[C@@H](N2CCC2)[C@H](F)C1 ZINC000597576918 348762182 /nfs/dbraw/zinc/76/21/82/348762182.db2.gz DYMRNDRPZFNSNX-NXEZZACHSA-N 1 0 225.267 0.545 20 30 BCEDRO N#CCC(=O)N1CC[C@H](N2CCC2)[C@@H](F)C1 ZINC000597576919 348762383 /nfs/dbraw/zinc/76/23/83/348762383.db2.gz DYMRNDRPZFNSNX-UWVGGRQHSA-N 1 0 225.267 0.545 20 30 BCEDRO C[C@H](CC#N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000597825046 348820482 /nfs/dbraw/zinc/82/04/82/348820482.db2.gz IUJWMSQUHOFJRW-MXWKQRLJSA-N 1 0 223.320 0.993 20 30 BCEDRO CC(C)(C)[N@@H+]1CC[C@@H]1CNC(=O)CC#N ZINC000597859058 348829499 /nfs/dbraw/zinc/82/94/99/348829499.db2.gz RBHUWZZEXPYGPY-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO N#Cc1ccccc1CN1CC[C@@H](O)[C@H](CO)C1 ZINC000396932275 350001148 /nfs/dbraw/zinc/00/11/48/350001148.db2.gz XXAGCYIPXVMFAT-UONOGXRCSA-N 1 0 246.310 0.733 20 30 BCEDRO C[C@@H](C#N)C(=O)NCCN(C)CCC[NH+](C)C ZINC000597989562 348851440 /nfs/dbraw/zinc/85/14/40/348851440.db2.gz GFELRSRMWMSFBK-NSHDSACASA-N 1 0 240.351 0.146 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597992052 348851961 /nfs/dbraw/zinc/85/19/61/348851961.db2.gz IYRYWPPMBFWOEY-UWVGGRQHSA-N 1 0 211.309 0.993 20 30 BCEDRO N#CCC1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000598022287 348861774 /nfs/dbraw/zinc/86/17/74/348861774.db2.gz CPHPEYLSVKTLMQ-GFCCVEGCSA-N 1 0 233.315 0.985 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CC(CC#N)C1 ZINC000598034177 348868702 /nfs/dbraw/zinc/86/87/02/348868702.db2.gz LSGAGRJVALLPBE-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO CCN(C(=O)CC#N)[C@H]1CC[N@H+](CC)C1 ZINC000598040269 348874182 /nfs/dbraw/zinc/87/41/82/348874182.db2.gz OCQCCQXYLCEDNE-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000354633258 348918935 /nfs/dbraw/zinc/91/89/35/348918935.db2.gz FZXNWMSFLQSKIB-LOWVWBTDSA-N 1 0 240.347 0.912 20 30 BCEDRO COC[C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598619205 349002008 /nfs/dbraw/zinc/00/20/08/349002008.db2.gz LXFBYFWPOMOZIJ-VHSXEESVSA-N 1 0 214.309 0.912 20 30 BCEDRO C[NH+](C)CCC[C@H]1CN(C(=O)CC#N)CCO1 ZINC000598541136 348992149 /nfs/dbraw/zinc/99/21/49/348992149.db2.gz SPVBLMPYUYWMOM-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598598651 348992239 /nfs/dbraw/zinc/99/22/39/348992239.db2.gz HNYMGSPZNUCFIX-OUAUKWLOSA-N 1 0 226.320 0.742 20 30 BCEDRO CC[N@H+](CCO)C[C@H](O)CC(C)(C)C#N ZINC000598589230 348996646 /nfs/dbraw/zinc/99/66/46/348996646.db2.gz HAHPXUNFCXRKEW-SNVBAGLBSA-N 1 0 214.309 0.601 20 30 BCEDRO C[C@@H]1C[C@@H](O)C[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598620887 349002875 /nfs/dbraw/zinc/00/28/75/349002875.db2.gz PBKAPJUUYRMWTF-UTUOFQBUSA-N 1 0 240.347 0.990 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000598593216 348998456 /nfs/dbraw/zinc/99/84/56/348998456.db2.gz QMOSFPUJQKLVNK-NWDGAFQWSA-N 1 0 240.347 0.991 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598414079 348968014 /nfs/dbraw/zinc/96/80/14/348968014.db2.gz YDBONVZNABJEHU-JQWIXIFHSA-N 1 0 221.304 0.843 20 30 BCEDRO C[NH2+]C1(CNc2cncc(C#N)n2)CCC1 ZINC000598634170 349005233 /nfs/dbraw/zinc/00/52/33/349005233.db2.gz RVDWOEKPJISRTD-UHFFFAOYSA-N 1 0 217.276 0.902 20 30 BCEDRO C[NH2+]C1(CNc2ccnc(C#N)n2)CCC1 ZINC000598635000 349005452 /nfs/dbraw/zinc/00/54/52/349005452.db2.gz UHHODNZPOBWTCR-UHFFFAOYSA-N 1 0 217.276 0.324 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]C2COCCOC2)C1 ZINC000308891243 349026114 /nfs/dbraw/zinc/02/61/14/349026114.db2.gz WZOBKPWHGNSTPD-VHSXEESVSA-N 1 0 210.277 0.684 20 30 BCEDRO CCN(C)C(=O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598725241 349029035 /nfs/dbraw/zinc/02/90/35/349029035.db2.gz WKKGVTHKQPNJIC-SNVBAGLBSA-N 1 0 241.335 0.355 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1C[C@@H](O)C1 ZINC000598729222 349031511 /nfs/dbraw/zinc/03/15/11/349031511.db2.gz HLOKXCWOMDKUJH-AEJSXWLSSA-N 1 0 212.293 0.400 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@H](O)C1CC1 ZINC000598729958 349031684 /nfs/dbraw/zinc/03/16/84/349031684.db2.gz PHMAPTPQEZRAGW-MNOVXSKESA-N 1 0 226.320 0.648 20 30 BCEDRO C[C@H](O)CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598729832 349032112 /nfs/dbraw/zinc/03/21/12/349032112.db2.gz NREQVJRULZBXOF-VHSXEESVSA-N 1 0 214.309 0.648 20 30 BCEDRO C[C@H](CCO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730433 349032773 /nfs/dbraw/zinc/03/27/73/349032773.db2.gz VIQJKIYLBBIZPD-NXEZZACHSA-N 1 0 214.309 0.648 20 30 BCEDRO N#Cc1csc(C[NH2+]C[C@H]2C[C@@H](O)C2)n1 ZINC000599006806 349074507 /nfs/dbraw/zinc/07/45/07/349074507.db2.gz JHIFDZWKNKXMNU-OTSSQURYSA-N 1 0 223.301 0.875 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000599091538 349091249 /nfs/dbraw/zinc/09/12/49/349091249.db2.gz BZWOVGWMJZIRRO-AVGNSLFASA-N 1 0 237.347 0.725 20 30 BCEDRO C[C@@H](Cn1cccn1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599290607 349148338 /nfs/dbraw/zinc/14/83/38/349148338.db2.gz XKBDMISBINSRCF-NWDGAFQWSA-N 1 0 248.330 0.916 20 30 BCEDRO C[C@H](Cn1cccn1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599290605 349148374 /nfs/dbraw/zinc/14/83/74/349148374.db2.gz XKBDMISBINSRCF-NEPJUHHUSA-N 1 0 248.330 0.916 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000599171232 349110844 /nfs/dbraw/zinc/11/08/44/349110844.db2.gz CYEUPPUOYVBZJP-AWEZNQCLSA-N 1 0 248.326 0.786 20 30 BCEDRO Cc1ccnc(NCC[N@@H+]2CC[C@@H](O)C2)c1C#N ZINC000599175447 349113097 /nfs/dbraw/zinc/11/30/97/349113097.db2.gz BKVIPMIMWWOWOK-LLVKDONJSA-N 1 0 246.314 0.740 20 30 BCEDRO CC[C@@H]1CN(c2cc(C#N)ncn2)C[C@H](C)[NH2+]1 ZINC000599178854 349121519 /nfs/dbraw/zinc/12/15/19/349121519.db2.gz KYLIQMLFOYZTAE-VHSXEESVSA-N 1 0 231.303 0.925 20 30 BCEDRO CC[C@@H]1CN(c2ccnc(C#N)n2)C[C@H](C)[NH2+]1 ZINC000599178902 349121808 /nfs/dbraw/zinc/12/18/08/349121808.db2.gz MOMJPEMQZZXDIE-VHSXEESVSA-N 1 0 231.303 0.925 20 30 BCEDRO C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599362293 349160122 /nfs/dbraw/zinc/16/01/22/349160122.db2.gz JFLYJLHEVQMWKJ-OUAUKWLOSA-N 1 0 226.320 0.648 20 30 BCEDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599434281 349174068 /nfs/dbraw/zinc/17/40/68/349174068.db2.gz XCZVNHAASNLDRQ-GARJFASQSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599558885 349217443 /nfs/dbraw/zinc/21/74/43/349217443.db2.gz PCORHTIGOZPNCO-LBPRGKRZSA-N 1 0 243.303 0.453 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)Cc1ccc(C#N)nc1 ZINC000599621518 349229535 /nfs/dbraw/zinc/22/95/35/349229535.db2.gz NUEMOIKRKPYQAP-UHFFFAOYSA-N 1 0 246.314 0.516 20 30 BCEDRO C[N@H+](CCOCCC#N)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599651991 349234644 /nfs/dbraw/zinc/23/46/44/349234644.db2.gz KEVOIXWZLFCKDL-AOOOYVTPSA-N 1 0 225.292 0.112 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599633488 349237257 /nfs/dbraw/zinc/23/72/57/349237257.db2.gz RDRUUDSRGFTXKD-AZKPJATDSA-N 1 0 243.372 0.909 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000599526636 349207274 /nfs/dbraw/zinc/20/72/74/349207274.db2.gz OKEOGRAVMKDYKU-MRVPVSSYSA-N 1 0 211.265 0.079 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC000599526134 349207548 /nfs/dbraw/zinc/20/75/48/349207548.db2.gz FQFUFUSLQLLQRB-SNVBAGLBSA-N 1 0 239.319 0.730 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CC(=O)NC(=O)NCC)C1 ZINC000599526133 349207716 /nfs/dbraw/zinc/20/77/16/349207716.db2.gz FQFUFUSLQLLQRB-JTQLQIEISA-N 1 0 239.319 0.730 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1nccn1CC ZINC000309053895 323221174 /nfs/dbraw/zinc/22/11/74/323221174.db2.gz SNSSLPGVXOKFBY-SNVBAGLBSA-N 1 0 209.293 0.930 20 30 BCEDRO CCN(CC[NH3+])C(=O)NCC1(CC#N)CC1 ZINC000599915640 349270089 /nfs/dbraw/zinc/27/00/89/349270089.db2.gz CDZNHSGBKHBDNE-UHFFFAOYSA-N 1 0 224.308 0.670 20 30 BCEDRO C[NH2+]CCOCCN(C)C(=O)NCCCC#N ZINC000599918435 349270655 /nfs/dbraw/zinc/27/06/55/349270655.db2.gz PRLHNTGQJJYYBY-UHFFFAOYSA-N 1 0 242.323 0.168 20 30 BCEDRO N#CCCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000599918373 349270711 /nfs/dbraw/zinc/27/07/11/349270711.db2.gz OSHZNQWDINXNDB-JTQLQIEISA-N 1 0 236.319 0.874 20 30 BCEDRO CC(C)(C#N)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000599918320 349270734 /nfs/dbraw/zinc/27/07/34/349270734.db2.gz OACGBFCWXDRNSA-MRVPVSSYSA-N 1 0 210.281 0.197 20 30 BCEDRO C[C@H]1CC[C@H](NC(=O)NCC2(C#N)CC2)C[NH2+]1 ZINC000599916101 349270778 /nfs/dbraw/zinc/27/07/78/349270778.db2.gz IYEHCQVKWLIOLS-UWVGGRQHSA-N 1 0 236.319 0.730 20 30 BCEDRO CCN(CC[NH3+])C(=O)NCC(C)(C)CC#N ZINC000599924050 349271272 /nfs/dbraw/zinc/27/12/72/349271272.db2.gz DCEDNWZAZGLBDV-UHFFFAOYSA-N 1 0 226.324 0.916 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NCCOCCC[NH3+] ZINC000599934602 349272386 /nfs/dbraw/zinc/27/23/86/349272386.db2.gz RQSKMQDVHYSZQD-SNVBAGLBSA-N 1 0 242.323 0.153 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NCCOCCC[NH3+] ZINC000599934601 349272431 /nfs/dbraw/zinc/27/24/31/349272431.db2.gz RQSKMQDVHYSZQD-JTQLQIEISA-N 1 0 242.323 0.153 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CC(C)(C)C#N)C[C@H]21 ZINC000599991544 349278402 /nfs/dbraw/zinc/27/84/02/349278402.db2.gz KNAYWDDNBINQTH-IAZYJMLFSA-N 1 0 235.331 0.945 20 30 BCEDRO COCCN1CC[C@H]([NH2+]C[C@H](C)C#N)C1 ZINC000309055254 323221081 /nfs/dbraw/zinc/22/10/81/323221081.db2.gz UBVNLSVGLROHMO-MNOVXSKESA-N 1 0 211.309 0.456 20 30 BCEDRO CC#CC[N@@H+]1C[C@H](CO)[C@H](c2cnn(C)c2)C1 ZINC000354835549 349330265 /nfs/dbraw/zinc/33/02/65/349330265.db2.gz VYPIHSHRKNEWFV-OLZOCXBDSA-N 1 0 233.315 0.451 20 30 BCEDRO N#Cc1ccc(CN2CCC([NH2+]CCO)CC2)o1 ZINC000601964487 349403121 /nfs/dbraw/zinc/40/31/21/349403121.db2.gz RBSDCKMAGDPWCC-UHFFFAOYSA-N 1 0 249.314 0.698 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CC[C@H](O)C(F)F)CC1 ZINC000601967452 349404535 /nfs/dbraw/zinc/40/45/35/349404535.db2.gz JKSHKINBQYEFPR-IUCAKERBSA-N 1 0 248.273 0.647 20 30 BCEDRO CCOCc1csc(NC(N)=[NH2+])n1 ZINC000185922849 349380974 /nfs/dbraw/zinc/38/09/74/349380974.db2.gz LAZMLUNYQAQDNB-UHFFFAOYSA-N 1 0 200.267 0.585 20 30 BCEDRO C[NH+](C)CC1(C(=O)N(CCC#N)CCC#N)CC1 ZINC000602080097 349430392 /nfs/dbraw/zinc/43/03/92/349430392.db2.gz VLPYYJNJKVWVNL-UHFFFAOYSA-N 1 0 248.330 0.984 20 30 BCEDRO N#Cc1ncn(CC[C@H]2CC[NH2+]C2)c1C#N ZINC000396666956 349413276 /nfs/dbraw/zinc/41/32/76/349413276.db2.gz WJTGNYWVGYCEDH-SECBINFHSA-N 1 0 215.260 0.626 20 30 BCEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)CC(N)=O ZINC000186258597 349413593 /nfs/dbraw/zinc/41/35/93/349413593.db2.gz NKTMJSQZJAFCNY-VIFPVBQESA-N 1 0 214.309 0.557 20 30 BCEDRO CC(C)C[C@H]([NH3+])CN1CCN(CCC#N)CC1 ZINC000602023608 349419974 /nfs/dbraw/zinc/41/99/74/349419974.db2.gz YQEFJXCYLZCUEH-ZDUSSCGKSA-N 1 0 238.379 0.891 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000309157565 350108694 /nfs/dbraw/zinc/10/86/94/350108694.db2.gz XUQDKUJHLUJNSH-RKDXNWHRSA-N 1 0 212.293 0.038 20 30 BCEDRO C[C@@H]1CN(c2cc(C#N)ncn2)C[C@H](C)[NH2+]1 ZINC000309171416 350114910 /nfs/dbraw/zinc/11/49/10/350114910.db2.gz ANFQWAHJIVKOIT-DTORHVGOSA-N 1 0 217.276 0.535 20 30 BCEDRO CC[C@H](CC#N)NCC(=O)N1CCOCC1 ZINC000303565583 350123656 /nfs/dbraw/zinc/12/36/56/350123656.db2.gz GKQIADMOJZNWSV-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO C=C(C)[C@@H](CO)N1CC[NH+](CC2CC2)CC1 ZINC000677048298 490330734 /nfs/dbraw/zinc/33/07/34/490330734.db2.gz UTCQGBOXPPLWNS-CYBMUJFWSA-N 1 0 224.348 0.951 20 30 BCEDRO CC[C@@H](OC)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000604484383 350138414 /nfs/dbraw/zinc/13/84/14/350138414.db2.gz LUGJSJYILZDSFD-SNVBAGLBSA-N 1 0 239.319 0.516 20 30 BCEDRO C=CCCOCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000132343313 191031836 /nfs/dbraw/zinc/03/18/36/191031836.db2.gz DGUOPNPEZRUCLI-JTQLQIEISA-N 1 0 235.349 0.602 20 30 BCEDRO C=CCCOCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000132343437 191031895 /nfs/dbraw/zinc/03/18/95/191031895.db2.gz DGUOPNPEZRUCLI-SNVBAGLBSA-N 1 0 235.349 0.602 20 30 BCEDRO C=CCCCNC(=O)NCC[N@H+]1CC[C@@H](O)C1 ZINC000637102172 350198806 /nfs/dbraw/zinc/19/88/06/350198806.db2.gz MUHDYOZHBFHFQR-LLVKDONJSA-N 1 0 241.335 0.318 20 30 BCEDRO COCCN(CC#N)C[C@@H](O)C[N@H+](C)C(C)C ZINC000316499029 350217330 /nfs/dbraw/zinc/21/73/30/350217330.db2.gz QQXAPCHFUPVIRQ-LBPRGKRZSA-N 1 0 243.351 0.159 20 30 BCEDRO COC[C@](C)([NH3+])CNc1cc(C#N)ncn1 ZINC000309261717 350243804 /nfs/dbraw/zinc/24/38/04/350243804.db2.gz IGKNKXXATLIDIM-SNVBAGLBSA-N 1 0 221.264 0.124 20 30 BCEDRO N#Cc1nccc(N[C@@H]2CCC[NH2+]CC2)n1 ZINC000309261525 350244061 /nfs/dbraw/zinc/24/40/61/350244061.db2.gz BYMLITKVVNMIIG-SECBINFHSA-N 1 0 217.276 0.902 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1cc(C#N)ncn1 ZINC000309261716 350244234 /nfs/dbraw/zinc/24/42/34/350244234.db2.gz IGKNKXXATLIDIM-JTQLQIEISA-N 1 0 221.264 0.124 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@H](C)CC#N ZINC000309266824 350247110 /nfs/dbraw/zinc/24/71/10/350247110.db2.gz QHFKRVJCKBBHTP-VXGBXAGGSA-N 1 0 227.352 0.921 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN(C)C[C@H](C)C#N ZINC000309298836 350269611 /nfs/dbraw/zinc/26/96/11/350269611.db2.gz XSAFLVXQQPEXRG-VXGBXAGGSA-N 1 0 227.352 0.779 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN(C)C[C@@H](C)C#N ZINC000309298831 350269659 /nfs/dbraw/zinc/26/96/59/350269659.db2.gz XSAFLVXQQPEXRG-NWDGAFQWSA-N 1 0 227.352 0.779 20 30 BCEDRO C=C(CC)CNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637205684 350272516 /nfs/dbraw/zinc/27/25/16/350272516.db2.gz KXQQMZZGLFVEGS-NSHDSACASA-N 1 0 241.335 0.318 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@H]1CCCCS1(=O)=O ZINC000262270570 535124229 /nfs/dbraw/zinc/12/42/29/535124229.db2.gz SYQJMFBXHNTBBE-SECBINFHSA-N 1 0 247.364 0.266 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NCC[NH2+]C1CC1 ZINC000637307715 350435653 /nfs/dbraw/zinc/43/56/53/350435653.db2.gz SWAPHKUECJAVGE-SNVBAGLBSA-N 1 0 241.335 0.222 20 30 BCEDRO CS[C@H]1CN(CCC#N)C[C@H]1[NH+](C)C ZINC000336676809 350438275 /nfs/dbraw/zinc/43/82/75/350438275.db2.gz ZTUIPHZIKJHJBZ-ZJUUUORDSA-N 1 0 213.350 0.877 20 30 BCEDRO CC#CCC[N@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336654028 350420618 /nfs/dbraw/zinc/42/06/18/350420618.db2.gz JWODBFMPUUGZNG-NSHDSACASA-N 1 0 244.360 0.366 20 30 BCEDRO C[N@H+](C[C@H](O)CN(CC#N)C1CC1)C1CC1 ZINC000336654008 350420821 /nfs/dbraw/zinc/42/08/21/350420821.db2.gz JVHDDOFGGFQOGN-LBPRGKRZSA-N 1 0 223.320 0.429 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](O)Cn1cccn1 ZINC000336666461 350427958 /nfs/dbraw/zinc/42/79/58/350427958.db2.gz DLETUZNCPOXUMP-LLVKDONJSA-N 1 0 209.293 0.752 20 30 BCEDRO CC#CCN1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000336673759 350431428 /nfs/dbraw/zinc/43/14/28/350431428.db2.gz QBUMGLFHNJUXMP-WDEREUQCSA-N 1 0 212.362 0.987 20 30 BCEDRO N#Cc1cccc(NC(=O)C[C@@H]2COCC[NH2+]2)c1 ZINC000128836646 350569323 /nfs/dbraw/zinc/56/93/23/350569323.db2.gz HYXLUFHNEUVDAD-GFCCVEGCSA-N 1 0 245.282 0.875 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](O)CSC ZINC000577513688 365976078 /nfs/dbraw/zinc/97/60/78/365976078.db2.gz VKQZENWJSGWINE-NXEZZACHSA-N 1 0 219.350 0.627 20 30 BCEDRO C[C@@H]([N@H+](C)CC(=O)NCC#N)C(C)(C)C ZINC000532927854 323397460 /nfs/dbraw/zinc/39/74/60/323397460.db2.gz UNHONLOKIVHION-SECBINFHSA-N 1 0 211.309 0.993 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347315798 133825368 /nfs/dbraw/zinc/82/53/68/133825368.db2.gz RQHLPSYKFUMRLU-UTUOFQBUSA-N 1 0 229.320 0.131 20 30 BCEDRO C=CCC[NH+]1CCN(C[C@H](O)COCC)CC1 ZINC000606897368 350622428 /nfs/dbraw/zinc/62/24/28/350622428.db2.gz DBEOSLHXZIAQAF-ZDUSSCGKSA-N 1 0 242.363 0.578 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CC[C@H](C)O)CC1 ZINC000491408790 490687242 /nfs/dbraw/zinc/68/72/42/490687242.db2.gz WVGOSDHOOMKPPB-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000289775921 490669491 /nfs/dbraw/zinc/66/94/91/490669491.db2.gz JCRNNXFZTWVJLH-LLVKDONJSA-N 1 0 220.272 0.422 20 30 BCEDRO CN(CC1([NH+](C)C)CCC1)C(=O)CC#N ZINC000097932564 350724565 /nfs/dbraw/zinc/72/45/65/350724565.db2.gz VSXQEFZZMNLLHS-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO CC#CC[N@@H+](C)C[C@H](O)CO[C@H](C)COC ZINC000339755112 350818442 /nfs/dbraw/zinc/81/84/42/350818442.db2.gz WCRCMPPKSYUKJK-NEPJUHHUSA-N 1 0 229.320 0.354 20 30 BCEDRO C=C1CC[NH+](C[C@H](O)CC(=O)OCC)CC1 ZINC000382478784 350844870 /nfs/dbraw/zinc/84/48/70/350844870.db2.gz LWIAYUABBNWGLJ-LLVKDONJSA-N 1 0 227.304 0.953 20 30 BCEDRO COC[C@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397571556 350920415 /nfs/dbraw/zinc/92/04/15/350920415.db2.gz BZLYESQKWWGHLE-WDEREUQCSA-N 1 0 212.293 0.619 20 30 BCEDRO CC[C@@H](C(N)=O)[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397659511 350959009 /nfs/dbraw/zinc/95/90/09/350959009.db2.gz FANXLZCLQZFUET-ZJUUUORDSA-N 1 0 209.293 0.876 20 30 BCEDRO N#CCSCCC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000336685959 350950337 /nfs/dbraw/zinc/95/03/37/350950337.db2.gz IPMNCHXAJVVAGP-MNOVXSKESA-N 1 0 244.360 0.763 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CCC(O)CC1 ZINC000052660142 351037635 /nfs/dbraw/zinc/03/76/35/351037635.db2.gz AMUKRBJYUWURDE-JTQLQIEISA-N 1 0 239.319 0.204 20 30 BCEDRO C=CC1CC[NH+](CC(=O)NC(=O)NC)CC1 ZINC000111257891 191130181 /nfs/dbraw/zinc/13/01/81/191130181.db2.gz LTGQPZZYRMYEDZ-UHFFFAOYSA-N 1 0 225.292 0.340 20 30 BCEDRO C=C[C@H](CO)N[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623574181 363003991 /nfs/dbraw/zinc/00/39/91/363003991.db2.gz GYTAYDURRIGACB-MNOVXSKESA-N 1 0 212.337 0.996 20 30 BCEDRO N#Cc1nccc(N[C@@H]2CCc3nc[nH]c3C2)n1 ZINC000572855862 351085181 /nfs/dbraw/zinc/08/51/81/351085181.db2.gz PFZVELDLFKDQLK-MRVPVSSYSA-N 1 0 240.270 0.463 20 30 BCEDRO C#CCN(CCC)[C@H]1CCS(=O)(=O)C1 ZINC000071015831 351139860 /nfs/dbraw/zinc/13/98/60/351139860.db2.gz ANCJQIDPFPROCW-JTQLQIEISA-N 1 0 215.318 0.519 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000611030442 358461631 /nfs/dbraw/zinc/46/16/31/358461631.db2.gz VISFPQVKTRFXTK-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC[N@H+](C)C(C)C ZINC000054134156 351312136 /nfs/dbraw/zinc/31/21/36/351312136.db2.gz CSNFAPRAVCSNFY-SNVBAGLBSA-N 1 0 211.309 0.993 20 30 BCEDRO N#Cc1cc(CN2C[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000090322587 363039566 /nfs/dbraw/zinc/03/95/66/363039566.db2.gz GBVCAPUWDUATPT-VXGBXAGGSA-N 1 0 228.299 0.604 20 30 BCEDRO C[NH2+]C[C@@H](C)CNc1nccc(C#N)n1 ZINC000231943929 351476650 /nfs/dbraw/zinc/47/66/50/351476650.db2.gz BYPXRIFQZZNMCP-MRVPVSSYSA-N 1 0 205.265 0.616 20 30 BCEDRO CC1(C#N)CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000272488969 351480285 /nfs/dbraw/zinc/48/02/85/351480285.db2.gz BXMGKJVJJSFSSH-LBPRGKRZSA-N 1 0 248.330 0.870 20 30 BCEDRO CN(C(=[NH2+])NC[C@](C)(O)c1ccco1)C1CC1 ZINC000273372056 351524625 /nfs/dbraw/zinc/52/46/25/351524625.db2.gz VSLDFECHRNGQAI-LBPRGKRZSA-N 1 0 237.303 0.896 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)N(C)CCC[NH+](C)C ZINC000577697106 366038048 /nfs/dbraw/zinc/03/80/48/366038048.db2.gz GPYIAGRMXDSXHN-ZYHUDNBSSA-N 1 0 223.320 0.946 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@]2(C)CCC[NH2+]2)nn1 ZINC000577721463 366042135 /nfs/dbraw/zinc/04/21/35/366042135.db2.gz JKOLLLOIQHQVRX-LBPRGKRZSA-N 1 0 249.318 0.222 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000637869225 351729663 /nfs/dbraw/zinc/72/96/63/351729663.db2.gz JKBBNSWGFYYFFF-CYBMUJFWSA-N 1 0 238.331 0.943 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H]1OCC[C@H]1[NH3+] ZINC000637870010 351735882 /nfs/dbraw/zinc/73/58/82/351735882.db2.gz PTVYDQFPKWDAHN-ZJUUUORDSA-N 1 0 210.277 0.303 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000088477221 351805066 /nfs/dbraw/zinc/80/50/66/351805066.db2.gz AQVSITOSAJFXMY-JTQLQIEISA-N 1 0 245.348 0.304 20 30 BCEDRO C=C[C@@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638004250 351878883 /nfs/dbraw/zinc/87/88/83/351878883.db2.gz XEDWLBWKCXFKMJ-KOLCDFICSA-N 1 0 212.293 0.433 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CO[C@@H](C)C1 ZINC000328184064 351928604 /nfs/dbraw/zinc/92/86/04/351928604.db2.gz OCYPFLXFGPOEBX-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO CCC[N@H+](CCCC#N)[C@H]1CC(=O)N(C)C1=O ZINC000282583781 351937266 /nfs/dbraw/zinc/93/72/66/351937266.db2.gz WFWYPAUOCKRYHJ-JTQLQIEISA-N 1 0 237.303 0.759 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638009796 351888304 /nfs/dbraw/zinc/88/83/04/351888304.db2.gz OEFBNFFALJKJRW-GXSJLCMTSA-N 1 0 212.293 0.446 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)[C@@H]1CCCO1 ZINC000353945786 187547994 /nfs/dbraw/zinc/54/79/94/187547994.db2.gz CJCVVORSHNHBPQ-ZJUUUORDSA-N 1 0 235.291 0.307 20 30 BCEDRO CC(C)(C#N)CCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000086331066 191149242 /nfs/dbraw/zinc/14/92/42/191149242.db2.gz CKYCLTWZRUJLOW-AOOOYVTPSA-N 1 0 212.293 0.354 20 30 BCEDRO CN1CC[NH+]=C1NCCCNc1ccccn1 ZINC000285062065 352019142 /nfs/dbraw/zinc/01/91/42/352019142.db2.gz LWNDPWKFIUADID-UHFFFAOYSA-N 1 0 233.319 0.775 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCCc2cnn(C)c2)N1 ZINC000285085974 352021381 /nfs/dbraw/zinc/02/13/81/352021381.db2.gz NPDFFUDPIJVHMD-VIFPVBQESA-N 1 0 221.308 0.290 20 30 BCEDRO CN1CC[NH+]=C1NC[C@H](CO)c1ccccc1 ZINC000285247660 352031408 /nfs/dbraw/zinc/03/14/08/352031408.db2.gz YWHMFPYTVBUTCD-GFCCVEGCSA-N 1 0 233.315 0.654 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@H]1CCNC1=O ZINC000340204980 352040277 /nfs/dbraw/zinc/04/02/77/352040277.db2.gz XQJCXVBDWRHPMA-NSHDSACASA-N 1 0 225.336 0.315 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627016015 363115418 /nfs/dbraw/zinc/11/54/18/363115418.db2.gz HDCILQVZHIDKAF-VHSXEESVSA-N 1 0 209.293 0.449 20 30 BCEDRO CNC(NC[C@H]1COc2ccccc21)=[NH+]C ZINC000288685253 352161501 /nfs/dbraw/zinc/16/15/01/352161501.db2.gz JIJLMRNEOWFDKV-VIFPVBQESA-N 1 0 219.288 0.957 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[NH+](C)C ZINC000289609519 352192542 /nfs/dbraw/zinc/19/25/42/352192542.db2.gz QVHFCPMTOPGKPK-GXSJLCMTSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C1CCN(C(=O)[C@@]2(C[NH3+])CCCOC2)CC1 ZINC000638381802 352194013 /nfs/dbraw/zinc/19/40/13/352194013.db2.gz OXEVKQCRHDTSTB-CYBMUJFWSA-N 1 0 238.331 0.921 20 30 BCEDRO C=CCOCCNC(=O)N(CC)CC[NH3+] ZINC000627011941 363112740 /nfs/dbraw/zinc/11/27/40/363112740.db2.gz MXOWDUHHWLTDLI-UHFFFAOYSA-N 1 0 215.297 0.179 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627012231 363113928 /nfs/dbraw/zinc/11/39/28/363113928.db2.gz VNTOQBDIRNHHCY-WDEREUQCSA-N 1 0 241.335 0.629 20 30 BCEDRO CNC(NC[C@]1(CO)C[C@H]1c1ccccc1)=[NH+]C ZINC000290714958 352237311 /nfs/dbraw/zinc/23/73/11/352237311.db2.gz UKLFOJQSMQIEBG-JSGCOSHPSA-N 1 0 247.342 0.947 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2cn(C)nn2)CC1 ZINC000290021351 352207165 /nfs/dbraw/zinc/20/71/65/352207165.db2.gz XCDCHUGHWMURTJ-UHFFFAOYSA-N 1 0 249.318 0.195 20 30 BCEDRO C=CCCNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638405650 352212042 /nfs/dbraw/zinc/21/20/42/352212042.db2.gz FOFMBTDAJVOXTH-GFCCVEGCSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCOCCCNC(=O)C[C@H](C)[NH3+] ZINC000638414049 352222182 /nfs/dbraw/zinc/22/21/82/352222182.db2.gz AHEXJIPGLJZUMD-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000613374752 363150300 /nfs/dbraw/zinc/15/03/00/363150300.db2.gz IENYDHWZQASFAD-MWLCHTKSSA-N 1 0 224.304 0.300 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000182305512 259424531 /nfs/dbraw/zinc/42/45/31/259424531.db2.gz IEUSLFZSFQMFNA-TUAOUCFPSA-N 1 0 238.331 0.672 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000638471616 352280594 /nfs/dbraw/zinc/28/05/94/352280594.db2.gz JYMZDLBHJZPSBQ-NNYUYHANSA-N 1 0 220.316 0.876 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000638475122 352283750 /nfs/dbraw/zinc/28/37/50/352283750.db2.gz TUPHGSHAXDZARS-SNVBAGLBSA-N 1 0 249.318 0.275 20 30 BCEDRO C=CCOCC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000638488832 352297118 /nfs/dbraw/zinc/29/71/18/352297118.db2.gz WTYXWINAITVUFF-NSHDSACASA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCCn1cc(C(=O)N(CC)CC[NH3+])nn1 ZINC000638515850 352343193 /nfs/dbraw/zinc/34/31/93/352343193.db2.gz GJXNYOJINKUJGP-UHFFFAOYSA-N 1 0 237.307 0.275 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)NCC ZINC000411639918 191197555 /nfs/dbraw/zinc/19/75/55/191197555.db2.gz JVDMLJQSNOTWMI-UHFFFAOYSA-N 1 0 227.352 0.562 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@H]1CCCNC1=O ZINC000411635136 191199583 /nfs/dbraw/zinc/19/95/83/191199583.db2.gz AZMHPCKZSQPCBG-LBPRGKRZSA-N 1 0 239.363 0.705 20 30 BCEDRO CC[C@@H](C#N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000044825950 352442445 /nfs/dbraw/zinc/44/24/45/352442445.db2.gz MKJHZAMBASNTSW-UWVGGRQHSA-N 1 0 211.309 0.993 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@@H](C)CN1CCOCC1 ZINC000044825532 352442514 /nfs/dbraw/zinc/44/25/14/352442514.db2.gz AOUJYSMZYCDANC-WDEREUQCSA-N 1 0 239.319 0.373 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638621354 352460759 /nfs/dbraw/zinc/46/07/59/352460759.db2.gz WGZUALXKBNCNGA-QWRGUYRKSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCCOCC(=O)NC1(C[NH3+])CCOCC1 ZINC000638634133 352476958 /nfs/dbraw/zinc/47/69/58/352476958.db2.gz CDIWTZSKWSNKOK-UHFFFAOYSA-N 1 0 242.319 0.203 20 30 BCEDRO C=CCCC(=O)N(C)CCOCC[NH3+] ZINC000638676196 352516108 /nfs/dbraw/zinc/51/61/08/352516108.db2.gz QFRHLORKBSXNFH-UHFFFAOYSA-N 1 0 200.282 0.386 20 30 BCEDRO CC[C@@H](O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232315990 352618227 /nfs/dbraw/zinc/61/82/27/352618227.db2.gz BVHMUBCSGRHFEK-LLVKDONJSA-N 1 0 207.277 0.757 20 30 BCEDRO C=CCOCCC[NH2+]C1(C(=O)N(C)C)CC1 ZINC000411917110 191227356 /nfs/dbraw/zinc/22/73/56/191227356.db2.gz XGKZEFLJETYYEI-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000268418816 166354586 /nfs/dbraw/zinc/35/45/86/166354586.db2.gz CDAUNYRPHNBBDE-UHFFFAOYSA-N 1 0 225.336 0.268 20 30 BCEDRO CC[C@H](CC#N)[NH2+][C@H]1CCN(CCOC)C1 ZINC000336744388 352695119 /nfs/dbraw/zinc/69/51/19/352695119.db2.gz UVGQNGCMVXFGMJ-NEPJUHHUSA-N 1 0 225.336 0.989 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC000336744261 352697178 /nfs/dbraw/zinc/69/71/78/352697178.db2.gz PZRBURLMHYPCJC-VHSXEESVSA-N 1 0 224.308 0.793 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638771425 352712647 /nfs/dbraw/zinc/71/26/47/352712647.db2.gz ZBSTZWMYGLLNTO-GARJFASQSA-N 1 0 226.320 0.834 20 30 BCEDRO CNC(=O)C[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000336747086 352745000 /nfs/dbraw/zinc/74/50/00/352745000.db2.gz BROXYMGNNYBWPT-SECBINFHSA-N 1 0 209.293 0.794 20 30 BCEDRO CC#CCC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000334188382 352778112 /nfs/dbraw/zinc/77/81/12/352778112.db2.gz JRDPLACYUZUBRL-NSHDSACASA-N 1 0 206.289 0.706 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412071638 191250715 /nfs/dbraw/zinc/25/07/15/191250715.db2.gz GNEUJXPHADTLJZ-SRVKXCTJSA-N 1 0 229.320 0.395 20 30 BCEDRO C=C(C)CN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000334192790 352784466 /nfs/dbraw/zinc/78/44/66/352784466.db2.gz JUKHDBRLWFBPIW-VHSXEESVSA-N 1 0 215.318 0.681 20 30 BCEDRO C=CCOCCC[N@@H+]1CCO[C@H]([C@@H](C)O)C1 ZINC000412088129 191255722 /nfs/dbraw/zinc/25/57/22/191255722.db2.gz OMTOKFWZRPAUAA-NEPJUHHUSA-N 1 0 229.320 0.661 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000268781770 187915116 /nfs/dbraw/zinc/91/51/16/187915116.db2.gz CKCCTPDGDLBJJP-JTQLQIEISA-N 1 0 234.303 0.210 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000342877749 352885964 /nfs/dbraw/zinc/88/59/64/352885964.db2.gz XLEVCLNLTWROGD-MXWKQRLJSA-N 1 0 223.320 0.945 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC[NH+](CC)CC ZINC000278759146 187920024 /nfs/dbraw/zinc/92/00/24/187920024.db2.gz WEWWMMOTVREHQO-GFCCVEGCSA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000264376328 166364487 /nfs/dbraw/zinc/36/44/87/166364487.db2.gz BTRFMTXNBJVBLC-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CC1(F)F ZINC000638846845 353027022 /nfs/dbraw/zinc/02/70/22/353027022.db2.gz HSRYTXLVHMSGBI-YUMQZZPRSA-N 1 0 218.247 0.922 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1ncnn1C ZINC000638828470 353008358 /nfs/dbraw/zinc/00/83/58/353008358.db2.gz CPIYZPNQNATKKT-VIFPVBQESA-N 1 0 210.281 0.089 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000638830910 353010517 /nfs/dbraw/zinc/01/05/17/353010517.db2.gz UBEREADEYVIGLG-MNOVXSKESA-N 1 0 226.320 0.429 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000270208727 166365742 /nfs/dbraw/zinc/36/57/42/166365742.db2.gz XZKYLOOGGCTNCV-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO N#Cc1csc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000187667087 188001591 /nfs/dbraw/zinc/00/15/91/188001591.db2.gz UUECFIOLZUDSMN-UWVGGRQHSA-N 1 0 238.312 0.547 20 30 BCEDRO C=CCn1cc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)nn1 ZINC000638928382 353088003 /nfs/dbraw/zinc/08/80/03/353088003.db2.gz IKSNMUHDHYGSIR-BDAKNGLRSA-N 1 0 235.291 0.026 20 30 BCEDRO C[NH+]1CC2(C1)CCN(C(=O)C1(C#N)CCC1)C2 ZINC000398645060 353123179 /nfs/dbraw/zinc/12/31/79/353123179.db2.gz BWOXTWWXUKNCQC-UHFFFAOYSA-N 1 0 233.315 0.844 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638939970 353124882 /nfs/dbraw/zinc/12/48/82/353124882.db2.gz TUVKBXVHQSFPCI-HBNTYKKESA-N 1 0 226.320 0.916 20 30 BCEDRO C#CCN(CC(=O)NC(=O)NCCC)C1CC1 ZINC000274006481 188027395 /nfs/dbraw/zinc/02/73/95/188027395.db2.gz AAZKFPVSUZVXRQ-UHFFFAOYSA-N 1 0 237.303 0.320 20 30 BCEDRO COCC[C@H](CO)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336754481 353137881 /nfs/dbraw/zinc/13/78/81/353137881.db2.gz HKGHCOGBFZSHFU-HBNTYKKESA-N 1 0 212.293 0.666 20 30 BCEDRO C#CCNC(=O)[C@H]1[NH2+]CCc2ccccc21 ZINC000049843583 188046085 /nfs/dbraw/zinc/04/60/85/188046085.db2.gz TWPCHPZIARACJW-LBPRGKRZSA-N 1 0 214.268 0.623 20 30 BCEDRO CO[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000336760044 353170158 /nfs/dbraw/zinc/17/01/58/353170158.db2.gz JKFCAPITDNPAAV-VHSXEESVSA-N 1 0 225.292 0.173 20 30 BCEDRO CN(C)c1cc[nH+]cc1C(=O)N[C@@H]1CNC(=O)C1 ZINC000330851984 353193832 /nfs/dbraw/zinc/19/38/32/353193832.db2.gz FNZKAOOJKLDVDD-QMMMGPOBSA-N 1 0 248.286 0.341 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)CCCC#N)C1 ZINC000330907845 353198125 /nfs/dbraw/zinc/19/81/25/353198125.db2.gz WKDJCZLUGRUHGU-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@@H](CCO)CNC(=O)NC1CC[NH+](C)CC1 ZINC000330934391 353201783 /nfs/dbraw/zinc/20/17/83/353201783.db2.gz IJYQRVIRSJTLRK-JTQLQIEISA-N 1 0 243.351 0.603 20 30 BCEDRO C[C@@H](C#N)NC(=O)C(C)(C)c1c[nH]cn1 ZINC000330956894 353204023 /nfs/dbraw/zinc/20/40/23/353204023.db2.gz NERFKSLADLWOSH-ZETCQYMHSA-N 1 0 206.249 0.716 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@H+](CCCC(=O)OC)C1 ZINC000330962105 353204674 /nfs/dbraw/zinc/20/46/74/353204674.db2.gz YNTGBXPXZPKKMF-VIFPVBQESA-N 1 0 243.307 0.147 20 30 BCEDRO C[C@H]1C[NH+](CCCNC(=O)CC#N)C[C@H](C)O1 ZINC000330915554 353205824 /nfs/dbraw/zinc/20/58/24/353205824.db2.gz ZBXGQLLTVUACDY-QWRGUYRKSA-N 1 0 239.319 0.516 20 30 BCEDRO CN(CCCO)C(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000331260738 353238574 /nfs/dbraw/zinc/23/85/74/353238574.db2.gz BHMVSOJAMGWOHM-GHMZBOCLSA-N 1 0 243.351 0.697 20 30 BCEDRO C[NH+](C)[C@H]1CCN(C(=O)NCc2cccnn2)C1 ZINC000331344416 353245257 /nfs/dbraw/zinc/24/52/57/353245257.db2.gz ZVZGYCHVGVYCLZ-NSHDSACASA-N 1 0 249.318 0.527 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCC[C@H]([NH2+]C)C1 ZINC000053204446 353247404 /nfs/dbraw/zinc/24/74/04/353247404.db2.gz GKWDCTGBFSNMSA-MNOVXSKESA-N 1 0 225.336 0.361 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000070074594 353253364 /nfs/dbraw/zinc/25/33/64/353253364.db2.gz IKQMQAXXVAYIAR-SRVKXCTJSA-N 1 0 239.363 0.736 20 30 BCEDRO COCCOCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336765109 353258898 /nfs/dbraw/zinc/25/88/98/353258898.db2.gz QOAAALSNEYSVRC-MNOVXSKESA-N 1 0 212.293 0.931 20 30 BCEDRO CCNC(=O)NCCC[NH+]1CCC(O)CC1 ZINC000331263452 353239367 /nfs/dbraw/zinc/23/93/67/353239367.db2.gz NTNDTTSUGTYPMP-UHFFFAOYSA-N 1 0 229.324 0.357 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@H]1C ZINC000016484625 166376050 /nfs/dbraw/zinc/37/60/50/166376050.db2.gz YEPGVJSLXGEAPJ-SNVBAGLBSA-N 1 0 239.319 0.873 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@](C)(CO)C(C)C ZINC000336765701 353262076 /nfs/dbraw/zinc/26/20/76/353262076.db2.gz RIULPLMOFZMNIE-LLVKDONJSA-N 1 0 214.309 0.285 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(C)[C@@H]1CC[NH2+]C1 ZINC000071311401 353265762 /nfs/dbraw/zinc/26/57/62/353265762.db2.gz UVAUXQBRJKPLPY-GFCCVEGCSA-N 1 0 237.347 0.481 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2CC[C@H](C1)[N@@H+]2C ZINC000073500772 353289065 /nfs/dbraw/zinc/28/90/65/353289065.db2.gz AQMWXGJNJZZBCQ-WDEREUQCSA-N 1 0 221.304 0.498 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[C@H]([NH3+])CC1 ZINC000639028575 353290037 /nfs/dbraw/zinc/29/00/37/353290037.db2.gz CSXWVWADOQLONE-MGCOHNPYSA-N 1 0 212.293 0.575 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCC[N@@H+](C)C1CC1 ZINC000273418380 188263932 /nfs/dbraw/zinc/26/39/32/188263932.db2.gz RKZWBPBPEIOTJK-SNVBAGLBSA-N 1 0 241.335 0.317 20 30 BCEDRO CC#CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000278749820 188266624 /nfs/dbraw/zinc/26/66/24/188266624.db2.gz FEDWWWMHRGCNAU-MNOVXSKESA-N 1 0 208.305 0.951 20 30 BCEDRO COc1cc(C[N@H+](C)CCC(N)=O)ccc1C#N ZINC000289972694 188268084 /nfs/dbraw/zinc/26/80/84/188268084.db2.gz ZKXWHKDINBXCQO-UHFFFAOYSA-N 1 0 247.298 0.874 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)C1CCC1 ZINC000285580054 188268250 /nfs/dbraw/zinc/26/82/50/188268250.db2.gz HBXGEBSDCVFYQP-SECBINFHSA-N 1 0 219.292 0.928 20 30 BCEDRO C=C[C@@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000162307130 353310858 /nfs/dbraw/zinc/31/08/58/353310858.db2.gz IXNMDGSEIDYSLJ-BDAKNGLRSA-N 1 0 203.307 0.728 20 30 BCEDRO C#CCNC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000073999070 353299278 /nfs/dbraw/zinc/29/92/78/353299278.db2.gz LRCGVWRPPHYRFN-UHFFFAOYSA-N 1 0 239.319 0.030 20 30 BCEDRO C#CCCN1CCN(C(=O)[C@@H](C)SC)CC1 ZINC000068271971 188297536 /nfs/dbraw/zinc/29/75/36/188297536.db2.gz YWZGZLVEVRSIBI-LLVKDONJSA-N 1 0 240.372 0.905 20 30 BCEDRO C=C(Cl)CNC(=O)C1(OC)CC[NH2+]CC1 ZINC000261529515 188259819 /nfs/dbraw/zinc/25/98/19/188259819.db2.gz AXNGVFMEFJKVOS-UHFFFAOYSA-N 1 0 232.711 0.624 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000639044242 353331524 /nfs/dbraw/zinc/33/15/24/353331524.db2.gz IGKXTMLHNGJRGM-IJLUTSLNSA-N 1 0 229.320 0.565 20 30 BCEDRO C#CCSCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000130086526 353338424 /nfs/dbraw/zinc/33/84/24/353338424.db2.gz YEQNHHNQAATWDB-SNVBAGLBSA-N 1 0 226.345 0.563 20 30 BCEDRO CC#CCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000334505788 353364511 /nfs/dbraw/zinc/36/45/11/353364511.db2.gz TUIFECLCTDBFPH-WDEREUQCSA-N 1 0 221.304 0.355 20 30 BCEDRO C=CC[NH+](CC=C)CCCNS(=O)(=O)CC ZINC000130765368 353365873 /nfs/dbraw/zinc/36/58/73/353365873.db2.gz QRWBWICDORPPOF-UHFFFAOYSA-N 1 0 246.376 0.990 20 30 BCEDRO C=CC[C@H](C)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000158390655 188331770 /nfs/dbraw/zinc/33/17/70/188331770.db2.gz WMLPYRXGWNJYFH-VHSXEESVSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268180002 166380207 /nfs/dbraw/zinc/38/02/07/166380207.db2.gz NEMIYFJGUJWZIF-MWLCHTKSSA-N 1 0 223.320 0.954 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000351268020 133967498 /nfs/dbraw/zinc/96/74/98/133967498.db2.gz JKZXOTDUKKAERK-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCC[N@@H+](CCOC)[C@H](C)C(N)=O ZINC000132995490 353396492 /nfs/dbraw/zinc/39/64/92/353396492.db2.gz GEHBYWXBIFAYMX-SECBINFHSA-N 1 0 200.282 0.385 20 30 BCEDRO C=CCC[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000132995286 353396797 /nfs/dbraw/zinc/39/67/97/353396797.db2.gz GEHBYWXBIFAYMX-VIFPVBQESA-N 1 0 200.282 0.385 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCC(NC(N)=O)CC1 ZINC000132242046 353378387 /nfs/dbraw/zinc/37/83/87/353378387.db2.gz LUVBOVLJVGWGRC-NSHDSACASA-N 1 0 241.335 0.446 20 30 BCEDRO C#CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@@H]2[NH2+]1 ZINC000019516735 188349436 /nfs/dbraw/zinc/34/94/36/188349436.db2.gz BWVGLAMITFDCIA-DCAQKATOSA-N 1 0 206.289 0.657 20 30 BCEDRO C=CCNC(=O)C[NH2+]CC[C@@H]1CCOC1 ZINC000336774863 353426335 /nfs/dbraw/zinc/42/63/35/353426335.db2.gz ZYPRKHJQVMAQSN-SNVBAGLBSA-N 1 0 212.293 0.305 20 30 BCEDRO C#CCC[N@@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000281435019 353447238 /nfs/dbraw/zinc/44/72/38/353447238.db2.gz SUUKDIXFXZQQOZ-NSHDSACASA-N 1 0 206.289 0.728 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)CC[C@@H](C)O)C1=O ZINC000281136296 353430536 /nfs/dbraw/zinc/43/05/36/353430536.db2.gz AEFNQPCNQQJHGA-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)[C@H](C)CCC#N ZINC000514864643 324113028 /nfs/dbraw/zinc/11/30/28/324113028.db2.gz JHBADHGSXZCWQQ-NXEZZACHSA-N 1 0 211.309 0.993 20 30 BCEDRO C#CC[N@H+](CC)CCC(=O)OC[C@H](C)O ZINC000281341830 353435542 /nfs/dbraw/zinc/43/55/42/353435542.db2.gz QQMXDHLJTFSCPQ-JTQLQIEISA-N 1 0 213.277 0.256 20 30 BCEDRO N#Cc1cccc(C[NH+]2[C@@H](CO)CC[C@@H]2CO)c1 ZINC000287610753 188387843 /nfs/dbraw/zinc/38/78/43/188387843.db2.gz ZFHHDLOQFGPOHI-ZIAGYGMSSA-N 1 0 246.310 0.876 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)C[NH+](C)C ZINC000281171445 353436540 /nfs/dbraw/zinc/43/65/40/353436540.db2.gz BFNUESMSTPGXEC-PWSUYJOCSA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)CCn2cccn2)C1=O ZINC000282086935 353462806 /nfs/dbraw/zinc/46/28/06/353462806.db2.gz UZOXPEWIRALJGH-GFCCVEGCSA-N 1 0 248.330 0.602 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000134388930 353494288 /nfs/dbraw/zinc/49/42/88/353494288.db2.gz JXHOGTMCTNKEFG-SNVBAGLBSA-N 1 0 228.336 0.627 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](COC)C1 ZINC000062161006 353548016 /nfs/dbraw/zinc/54/80/16/353548016.db2.gz IFLLPQRSXIEYKO-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284442350 353513371 /nfs/dbraw/zinc/51/33/71/353513371.db2.gz ANAMIRHOJPTFLI-CYBMUJFWSA-N 1 0 248.330 0.518 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000284613420 353514602 /nfs/dbraw/zinc/51/46/02/353514602.db2.gz BGCOWNNERJAEML-ZWNOBZJWSA-N 1 0 248.330 0.858 20 30 BCEDRO C=CCC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1ccnn1C ZINC000285389802 353542092 /nfs/dbraw/zinc/54/20/92/353542092.db2.gz ZVLJWINBRODYCN-ZWNOBZJWSA-N 1 0 248.330 0.858 20 30 BCEDRO C=CC[C@@H](C)[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000134747937 353504879 /nfs/dbraw/zinc/50/48/79/353504879.db2.gz RUFDKMGLODWZJE-SECBINFHSA-N 1 0 237.303 0.138 20 30 BCEDRO C#CCSCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000287481862 353578116 /nfs/dbraw/zinc/57/81/16/353578116.db2.gz PKGWZAPPVIVQBV-JTQLQIEISA-N 1 0 243.376 0.602 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000193647500 353596812 /nfs/dbraw/zinc/59/68/12/353596812.db2.gz XQPNHYMPBHHJFC-MXWKQRLJSA-N 1 0 226.320 0.428 20 30 BCEDRO C[N@@H+](CC#Cc1ccc(F)cc1)CCC(N)=O ZINC000286519849 353562313 /nfs/dbraw/zinc/56/23/13/353562313.db2.gz QRKWDBPBZYPIOH-UHFFFAOYSA-N 1 0 234.274 0.984 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NC1CC[NH+](C)CC1 ZINC000183672259 353566005 /nfs/dbraw/zinc/56/60/05/353566005.db2.gz AQUUQAXAJXQPIE-NSHDSACASA-N 1 0 241.335 0.317 20 30 BCEDRO CC#CCNC(=O)NC1CC[NH+](C)CC1 ZINC000135602058 353567609 /nfs/dbraw/zinc/56/76/09/353567609.db2.gz VKPYITCYMWIBPF-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO CC#CCNC(=O)c1c[nH+]ccc1N(C)C ZINC000184249488 353623454 /nfs/dbraw/zinc/62/34/54/353623454.db2.gz HHFAPLCOGZHILX-UHFFFAOYSA-N 1 0 217.272 0.901 20 30 BCEDRO N#CC1(C[N@H+]2CCC[C@@H](CC(N)=O)C2)CC1 ZINC000343313452 353628708 /nfs/dbraw/zinc/62/87/08/353628708.db2.gz IEVIPKODONREMB-JTQLQIEISA-N 1 0 221.304 0.878 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289479191 353629222 /nfs/dbraw/zinc/62/92/22/353629222.db2.gz ROAPPEOGZIHRQQ-MRVPVSSYSA-N 1 0 208.265 0.463 20 30 BCEDRO C#Cc1ccc(C[N@@H+](C)[C@@H]2COC[C@H]2O)cc1 ZINC000289985098 353645581 /nfs/dbraw/zinc/64/55/81/353645581.db2.gz ZWOMRNCAOBLRSF-ZIAGYGMSSA-N 1 0 231.295 0.859 20 30 BCEDRO C#Cc1ccc(C[NH2+]C[C@]2(O)CCOC2)cc1 ZINC000290054168 353647012 /nfs/dbraw/zinc/64/70/12/353647012.db2.gz JYDZBHDFDIJQMC-CQSZACIVSA-N 1 0 231.295 0.909 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000288814329 353606927 /nfs/dbraw/zinc/60/69/27/353606927.db2.gz SVAHMSIMZKACIS-BDAKNGLRSA-N 1 0 228.292 0.348 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@H]([NH3+])CCC(=O)OC ZINC000288814330 353607076 /nfs/dbraw/zinc/60/70/76/353607076.db2.gz SVAHMSIMZKACIS-DTWKUNHWSA-N 1 0 228.292 0.348 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1 ZINC000289322023 353613199 /nfs/dbraw/zinc/61/31/99/353613199.db2.gz TXBLJBPEGLBUMT-CYBMUJFWSA-N 1 0 228.295 0.988 20 30 BCEDRO C=C[C@@H](CO)NC(=O)C[NH+]1CCC(C)CC1 ZINC000290632179 353666211 /nfs/dbraw/zinc/66/62/11/353666211.db2.gz PKCOGTDSYWIOLH-NSHDSACASA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@H](c1ccccc1)N(C)C ZINC000290689251 353667432 /nfs/dbraw/zinc/66/74/32/353667432.db2.gz UVYWDPDDQIXWIC-STQMWFEESA-N 1 0 248.326 0.952 20 30 BCEDRO C[C@@H](C#N)CN(C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000343318443 353667494 /nfs/dbraw/zinc/66/74/94/353667494.db2.gz XUMVMUWPLKKODD-RWMBFGLXSA-N 1 0 237.347 0.941 20 30 BCEDRO C=C[C@H](CO)NC(=O)C12CCC[NH+]1CCC2 ZINC000290745644 353669545 /nfs/dbraw/zinc/66/95/45/353669545.db2.gz ZYGMIVBQFBGTDJ-SNVBAGLBSA-N 1 0 224.304 0.278 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)c1c[nH+]ccc1N(C)C ZINC000184444460 353672492 /nfs/dbraw/zinc/67/24/92/353672492.db2.gz NBGBLIQTWLCFTG-JTQLQIEISA-N 1 0 249.314 0.814 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@H](CCC)OC ZINC000393835726 353674363 /nfs/dbraw/zinc/67/43/63/353674363.db2.gz BORQMBGZGYVMEJ-JTQLQIEISA-N 1 0 214.309 0.693 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000290868464 353674442 /nfs/dbraw/zinc/67/44/42/353674442.db2.gz BZJXNPHJJGLBSA-QWRGUYRKSA-N 1 0 243.351 0.563 20 30 BCEDRO C[NH2+]C[C@H](C)CNc1ccncc1C#N ZINC000399022396 353680387 /nfs/dbraw/zinc/68/03/87/353680387.db2.gz FSJTYAPQCZUEOR-VIFPVBQESA-N 1 0 204.277 0.643 20 30 BCEDRO C=CCNC(=O)C[N@H+](CC)C[C@H](C)OC ZINC000291369647 353691645 /nfs/dbraw/zinc/69/16/45/353691645.db2.gz ZUENGFNDLNAICV-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC[N@@H+](CC)C1CC1 ZINC000291376692 353691941 /nfs/dbraw/zinc/69/19/41/353691941.db2.gz VPMGJZGKMGQUCF-SNVBAGLBSA-N 1 0 241.335 0.317 20 30 BCEDRO Cc1nnsc1CNC1=[NH+]CCN1C ZINC000291895315 353701312 /nfs/dbraw/zinc/70/13/12/353701312.db2.gz KCXNXTOZBAPZQR-UHFFFAOYSA-N 1 0 211.294 0.238 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000291923305 353702263 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353748117 /nfs/dbraw/zinc/74/81/17/353748117.db2.gz ZLCYKRSNYIIEEU-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)C[C@H](C)OC ZINC000293531505 353752925 /nfs/dbraw/zinc/75/29/25/353752925.db2.gz JKMHNJKBCSSTDW-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cc[n+]([O-])cc1 ZINC000293856416 353761529 /nfs/dbraw/zinc/76/15/29/353761529.db2.gz AWFFSQVSEXOBBJ-UHFFFAOYSA-N 1 0 247.298 0.005 20 30 BCEDRO Cc1cc(N2CCO[C@@H](C[NH3+])C2)c(C#N)cn1 ZINC000399064752 353764181 /nfs/dbraw/zinc/76/41/81/353764181.db2.gz MCYLXBOTYMSLIC-NSHDSACASA-N 1 0 232.287 0.426 20 30 BCEDRO Cc1cc(N2CCO[C@H](C[NH3+])C2)c(C#N)cn1 ZINC000399064749 353764460 /nfs/dbraw/zinc/76/44/60/353764460.db2.gz MCYLXBOTYMSLIC-LLVKDONJSA-N 1 0 232.287 0.426 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000293971763 353765708 /nfs/dbraw/zinc/76/57/08/353765708.db2.gz DBRRPEVLPUXQBM-GFCCVEGCSA-N 1 0 224.304 0.401 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000294416347 353777545 /nfs/dbraw/zinc/77/75/45/353777545.db2.gz PNHGWRCMUQXXRM-UWVGGRQHSA-N 1 0 212.293 0.091 20 30 BCEDRO C=CCOCC[N@@H+](C)CCC(=O)NC ZINC000293050211 353737017 /nfs/dbraw/zinc/73/70/17/353737017.db2.gz KMRNAQGADSBSAH-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CC)[C@@H](C)CO)C1=O ZINC000293554596 353747674 /nfs/dbraw/zinc/74/76/74/353747674.db2.gz ZLCYKRSNYIIEEU-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@H]1C ZINC000293547839 353747819 /nfs/dbraw/zinc/74/78/19/353747819.db2.gz YRGSLOKJNRGOMD-GUBZILKMSA-N 1 0 239.319 0.727 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@@H]([NH3+])CC ZINC000295360037 353804520 /nfs/dbraw/zinc/80/45/20/353804520.db2.gz ZLSPXXGDOWSGKW-ZJUUUORDSA-N 1 0 214.309 0.821 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000295356593 353804984 /nfs/dbraw/zinc/80/49/84/353804984.db2.gz YWAVZAHGAANKLO-ZJUUUORDSA-N 1 0 224.304 0.281 20 30 BCEDRO CC[N@@H+](CC(=O)NCC#N)C[C@@H]1CCCO1 ZINC000066664818 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/nfs/dbraw/zinc/85/17/67/353851767.db2.gz YBEZDCSGHOZKPW-UHFFFAOYSA-N 1 0 234.299 0.571 20 30 BCEDRO N#CCCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000368817311 181035834 /nfs/dbraw/zinc/03/58/34/181035834.db2.gz MLQNONJXQGRPSC-LLVKDONJSA-N 1 0 209.293 0.307 20 30 BCEDRO C=C[C@@H]1CCCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000343760583 353976230 /nfs/dbraw/zinc/97/62/30/353976230.db2.gz BGLAZDDKMVLLLK-ZYHUDNBSSA-N 1 0 227.304 0.951 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000343825993 354015742 /nfs/dbraw/zinc/01/57/42/354015742.db2.gz IYOLJVRUNHRWMH-WDEREUQCSA-N 1 0 223.320 0.067 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)CO ZINC000164892029 166388300 /nfs/dbraw/zinc/38/83/00/166388300.db2.gz BSBFUYCYXDWHFA-UTLUCORTSA-N 1 0 214.309 0.284 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000301018584 363296851 /nfs/dbraw/zinc/29/68/51/363296851.db2.gz IXEKIYLEKWLANC-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CCC[N@@H+](CCO)CCN1CCOCC1 ZINC000086168788 491058840 /nfs/dbraw/zinc/05/88/40/491058840.db2.gz YKIKLGOPKFRDEZ-UHFFFAOYSA-N 1 0 228.336 0.189 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCOC[C@@H]1C ZINC000277942601 166388466 /nfs/dbraw/zinc/38/84/66/166388466.db2.gz RCRYREALZJJAEW-GARJFASQSA-N 1 0 226.320 0.692 20 30 BCEDRO N#C[C@H]1CCC[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333783544 181070127 /nfs/dbraw/zinc/07/01/27/181070127.db2.gz LHIDROILXMPPSG-OUAUKWLOSA-N 1 0 236.319 0.730 20 30 BCEDRO CC(C)(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000344170121 354171331 /nfs/dbraw/zinc/17/13/31/354171331.db2.gz QAYAYCNBWNMQOF-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)CC(=O)N(C)C ZINC000449697946 202003949 /nfs/dbraw/zinc/00/39/49/202003949.db2.gz MIJYNRXFNVPVCT-WDEREUQCSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@H]([NH3+])C2)C1=O ZINC000334587509 354212581 /nfs/dbraw/zinc/21/25/81/354212581.db2.gz OJRDNOQDNIKJPQ-QWRGUYRKSA-N 1 0 223.320 0.196 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)CO ZINC000164891907 166389396 /nfs/dbraw/zinc/38/93/96/166389396.db2.gz BSBFUYCYXDWHFA-GUBZILKMSA-N 1 0 214.309 0.284 20 30 BCEDRO C=CCSCC[NH2+]C[C@@H](O)COC ZINC000231945608 363359362 /nfs/dbraw/zinc/35/93/62/363359362.db2.gz IBBXBUITCOTFPH-SECBINFHSA-N 1 0 205.323 0.503 20 30 BCEDRO CC[C@H](C(=O)N[C@H](C#N)C1CC1)[NH+](C)C ZINC000331755607 134001765 /nfs/dbraw/zinc/00/17/65/134001765.db2.gz LZGVKBZGGSIHFL-NXEZZACHSA-N 1 0 209.293 0.745 20 30 BCEDRO C=CCCCNC(=O)CN1CC[NH+](CC)CC1 ZINC000344453255 354262578 /nfs/dbraw/zinc/26/25/78/354262578.db2.gz YXGAYSGJVYKADN-UHFFFAOYSA-N 1 0 239.363 0.706 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000331770388 134001908 /nfs/dbraw/zinc/00/19/08/134001908.db2.gz MWYWQWPLJKSIDW-KKZNHRDASA-N 1 0 221.304 0.745 20 30 BCEDRO C=CCOCCC[N@@H+]1C[C@@H](OC)C[C@H]1C(N)=O ZINC000344558249 354295761 /nfs/dbraw/zinc/29/57/61/354295761.db2.gz XWVQPLFLBVXFPH-QWRGUYRKSA-N 1 0 242.319 0.154 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@H+](C)C1CC(O)C1 ZINC000332061694 134003785 /nfs/dbraw/zinc/00/37/85/134003785.db2.gz QFKMYDVOYZGROV-UHFFFAOYSA-N 1 0 239.319 0.204 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)C1CC(O)C1 ZINC000332074591 134003975 /nfs/dbraw/zinc/00/39/75/134003975.db2.gz WGVVCVKEXBUJPH-KPPDAEKUSA-N 1 0 239.319 0.202 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)o1 ZINC000353686050 181108319 /nfs/dbraw/zinc/10/83/19/181108319.db2.gz JKRPFASRAXXCGZ-RYUDHWBXSA-N 1 0 236.271 0.781 20 30 BCEDRO N#Cc1ccc(C[NH2+]CC2(O)CCOCC2)o1 ZINC000135172949 181108680 /nfs/dbraw/zinc/10/86/80/181108680.db2.gz IEOZZVMDQHCGQY-UHFFFAOYSA-N 1 0 236.271 0.782 20 30 BCEDRO C=CCC(CC=C)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000344624146 354329332 /nfs/dbraw/zinc/32/93/32/354329332.db2.gz CUYCWRVIQUXTAK-RYUDHWBXSA-N 1 0 238.331 0.451 20 30 BCEDRO N#Cc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000236592293 181105431 /nfs/dbraw/zinc/10/54/31/181105431.db2.gz YPKWOLMBDSTNNH-RYUDHWBXSA-N 1 0 218.256 0.096 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000048036920 181105926 /nfs/dbraw/zinc/10/59/26/181105926.db2.gz ZARJTJWAFHLCCM-GFCCVEGCSA-N 1 0 229.283 0.865 20 30 BCEDRO N#Cc1ccc(NC[C@@H]2C[NH2+]CCO2)cn1 ZINC000122693321 181122280 /nfs/dbraw/zinc/12/22/80/181122280.db2.gz ZQJWUHXLKPOVIM-NSHDSACASA-N 1 0 218.260 0.354 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CCOC[C@@H](C)C2)C1=O ZINC000335920505 134007154 /nfs/dbraw/zinc/00/71/54/134007154.db2.gz MMQDUHXHWAFRKK-NWDGAFQWSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000354605631 491064073 /nfs/dbraw/zinc/06/40/73/491064073.db2.gz VIKBTRNGEMIHEJ-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@@H](CO)C2)cc1 ZINC000217835641 181130207 /nfs/dbraw/zinc/13/02/07/181130207.db2.gz FUNGNNBBIUUTEG-TZMCWYRMSA-N 1 0 246.310 0.906 20 30 BCEDRO N#Cc1cccc(C(=O)N2CC[C@H](C[NH3+])C2)c1 ZINC000050246122 181135644 /nfs/dbraw/zinc/13/56/44/181135644.db2.gz IIIIGPICSOLPMY-LLVKDONJSA-N 1 0 229.283 0.979 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000345814464 354783494 /nfs/dbraw/zinc/78/34/94/354783494.db2.gz KOJKROMBCJTNGD-NSHDSACASA-N 1 0 223.320 0.994 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[NH+](CC)CC1 ZINC000301053219 363396675 /nfs/dbraw/zinc/39/66/75/363396675.db2.gz XTFQRPLMBSWLFH-JTQLQIEISA-N 1 0 212.293 0.352 20 30 BCEDRO CC#CCCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000335141053 354845066 /nfs/dbraw/zinc/84/50/66/354845066.db2.gz YKKPLNCNKNBHQX-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C=CCN(C(=O)NC[C@@H]1COCC[NH2+]1)C1CC1 ZINC000627187612 363444221 /nfs/dbraw/zinc/44/42/21/363444221.db2.gz LTNAGSKUMVVXPB-SNVBAGLBSA-N 1 0 239.319 0.335 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000346416507 354952164 /nfs/dbraw/zinc/95/21/64/354952164.db2.gz SKTMDBNFMGOEKS-GMTAPVOTSA-N 1 0 223.320 0.945 20 30 BCEDRO C=CCCN(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000346819825 355125192 /nfs/dbraw/zinc/12/51/92/355125192.db2.gz FLNSHUWUSQWBFK-GFCCVEGCSA-N 1 0 237.347 0.411 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@@H+](CC)C1 ZINC000412876876 191324597 /nfs/dbraw/zinc/32/45/97/191324597.db2.gz KWHWRWFSSZBYBM-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO CC(C)[C@H](CO)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000346945028 355160437 /nfs/dbraw/zinc/16/04/37/355160437.db2.gz MNHSOYLSAVLDJC-JTQLQIEISA-N 1 0 239.319 0.155 20 30 BCEDRO C[NH+](C)C1CN(c2ncc(C#N)cc2F)C1 ZINC000413209819 191363090 /nfs/dbraw/zinc/36/30/90/191363090.db2.gz FXNYTEZQVUDYNQ-UHFFFAOYSA-N 1 0 220.251 0.843 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)CC(=O)OCC ZINC000383785779 355305783 /nfs/dbraw/zinc/30/57/83/355305783.db2.gz YHVOMNIOOQHPKI-SECBINFHSA-N 1 0 201.266 0.418 20 30 BCEDRO CC[C@H](C)[N@H+](C)CCNc1ccnc(C#N)n1 ZINC000383792870 355324744 /nfs/dbraw/zinc/32/47/44/355324744.db2.gz RIGCIWHBKBRMFL-JTQLQIEISA-N 1 0 233.319 0.912 20 30 BCEDRO COC[C@H](C)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000584346169 355368570 /nfs/dbraw/zinc/36/85/70/355368570.db2.gz VMECFMYZEDUMJS-VXGBXAGGSA-N 1 0 243.351 0.065 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN(C[C@@H](C)C#N)C1CC1 ZINC000583507541 355344316 /nfs/dbraw/zinc/34/43/16/355344316.db2.gz APYJHVLFKKHEJH-WCQYABFASA-N 1 0 239.363 0.923 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000087509560 355353269 /nfs/dbraw/zinc/35/32/69/355353269.db2.gz LXHZZFSMYPWBQM-VHSXEESVSA-N 1 0 225.292 0.125 20 30 BCEDRO N#Cc1cncnc1N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000383860936 355416941 /nfs/dbraw/zinc/41/69/41/355416941.db2.gz CQLLJLMLWYUSKG-JTQLQIEISA-N 1 0 229.287 0.419 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1ccccc1Cl ZINC000491622949 491079325 /nfs/dbraw/zinc/07/93/25/491079325.db2.gz JKKDRMSVHHBUQV-SKDRFNHKSA-N 1 0 239.702 0.957 20 30 BCEDRO C=CC[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000335796927 355453550 /nfs/dbraw/zinc/45/35/50/355453550.db2.gz RBGZAPAVSWPWFL-UHFFFAOYSA-N 1 0 232.349 0.528 20 30 BCEDRO C[NH+]1CCC(C(=O)N2CC(C)(C#N)C2)CC1 ZINC000335807234 355479378 /nfs/dbraw/zinc/47/93/78/355479378.db2.gz WCEUNNNYRKLAFU-UHFFFAOYSA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000335833688 355561670 /nfs/dbraw/zinc/56/16/70/355561670.db2.gz FLWMESHRABTCPI-GXSJLCMTSA-N 1 0 221.304 0.841 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000335887098 355678696 /nfs/dbraw/zinc/67/86/96/355678696.db2.gz BTJGVPDWHBDRCQ-VXGBXAGGSA-N 1 0 235.331 0.936 20 30 BCEDRO C=CCSCCNC(=O)N(C)CC[NH2+]C ZINC000417341093 191788565 /nfs/dbraw/zinc/78/85/65/191788565.db2.gz KWFAPDCUGPWOJG-UHFFFAOYSA-N 1 0 231.365 0.766 20 30 BCEDRO C=C[C@H](CO)NC1CC[NH+](CC(C)(C)O)CC1 ZINC000639325733 355725167 /nfs/dbraw/zinc/72/51/67/355725167.db2.gz BGLYCDCGSAHWSY-LLVKDONJSA-N 1 0 242.363 0.358 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000613485330 363455519 /nfs/dbraw/zinc/45/55/19/363455519.db2.gz KCHJFBMBWCPXBQ-NXEZZACHSA-N 1 0 249.314 0.568 20 30 BCEDRO N#Cc1cccc(C[NH2+]CC(=O)NC2CC2)c1 ZINC000035142859 355851737 /nfs/dbraw/zinc/85/17/37/355851737.db2.gz BSYPSYAMBXSNRO-UHFFFAOYSA-N 1 0 229.283 0.926 20 30 BCEDRO C=CC[C@H](C)[C@H](C)[NH+](CCO)CCO ZINC000628369571 355875988 /nfs/dbraw/zinc/87/59/88/355875988.db2.gz JITKXVUFGLWSFQ-QWRGUYRKSA-N 1 0 201.310 0.874 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CCc2ncnn2C1)C(=O)NC1CC1 ZINC000329142829 355899812 /nfs/dbraw/zinc/89/98/12/355899812.db2.gz LORQSLIZJBBCDD-WCBMZHEXSA-N 1 0 249.318 0.690 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418027173 191955790 /nfs/dbraw/zinc/95/57/90/191955790.db2.gz ILYFDBMNWYOQCW-MNOVXSKESA-N 1 0 223.320 0.697 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000617551199 356106547 /nfs/dbraw/zinc/10/65/47/356106547.db2.gz NDBGLNRVGZZOBU-YPMHNXCESA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000617551198 356107228 /nfs/dbraw/zinc/10/72/28/356107228.db2.gz NDBGLNRVGZZOBU-WCQYABFASA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000617550171 356093210 /nfs/dbraw/zinc/09/32/10/356093210.db2.gz KJMIFEWXCUDBJG-VHSXEESVSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418255571 192005872 /nfs/dbraw/zinc/00/58/72/192005872.db2.gz RVEZNTXPIABSGU-KYXWUPHJSA-N 1 0 227.308 0.365 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)CC[NH2+]C ZINC000418257809 192005916 /nfs/dbraw/zinc/00/59/16/192005916.db2.gz VIQASERJWVIINR-MNOVXSKESA-N 1 0 241.335 0.581 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418253643 192007840 /nfs/dbraw/zinc/00/78/40/192007840.db2.gz ZGZQLCCEMVRMTL-SNVBAGLBSA-N 1 0 211.309 0.989 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418253811 192008767 /nfs/dbraw/zinc/00/87/67/192008767.db2.gz PZPSQMLDAOKHGG-YTWAJWBKSA-N 1 0 241.335 0.755 20 30 BCEDRO C=C(CC)CNC(=O)NCCN1CC[NH2+]CC1 ZINC000418272543 192011285 /nfs/dbraw/zinc/01/12/85/192011285.db2.gz XPOKFAITVKTVTB-UHFFFAOYSA-N 1 0 240.351 0.157 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)NC1(CO)CCC1 ZINC000329859249 356135311 /nfs/dbraw/zinc/13/53/11/356135311.db2.gz WNYXMDMULNOPSM-JTQLQIEISA-N 1 0 241.335 0.499 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NC1(CO)CCC1 ZINC000329859250 356135511 /nfs/dbraw/zinc/13/55/11/356135511.db2.gz WNYXMDMULNOPSM-SNVBAGLBSA-N 1 0 241.335 0.499 20 30 BCEDRO C=CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@@H](C)COC ZINC000617578812 356147605 /nfs/dbraw/zinc/14/76/05/356147605.db2.gz RBGREABWUUCSBU-NWDGAFQWSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@@H](C)COC ZINC000617578813 356147703 /nfs/dbraw/zinc/14/77/03/356147703.db2.gz RBGREABWUUCSBU-RYUDHWBXSA-N 1 0 240.347 0.988 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329942561 356148367 /nfs/dbraw/zinc/14/83/67/356148367.db2.gz CWQVVSCRWAVLMS-UKKRHICBSA-N 1 0 239.319 0.229 20 30 BCEDRO C[NH+]1CCC(NC(=O)N[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000329968743 356151457 /nfs/dbraw/zinc/15/14/57/356151457.db2.gz UBQJJATVRVBWLO-URLYPYJESA-N 1 0 239.319 0.229 20 30 BCEDRO CC#CCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000418313280 192023177 /nfs/dbraw/zinc/02/31/77/192023177.db2.gz QEQGBBYFBWHAHD-GHMZBOCLSA-N 1 0 223.320 0.697 20 30 BCEDRO CC[C@@H](CO)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000331366198 356199487 /nfs/dbraw/zinc/19/94/87/356199487.db2.gz CZGRFRLGYWYCDP-LBPRGKRZSA-N 1 0 237.347 0.679 20 30 BCEDRO C[C@@H]([NH3+])[C@H](C)NC(=O)NCC(C)(C)CC#N ZINC000418292669 192017402 /nfs/dbraw/zinc/01/74/02/192017402.db2.gz OKSJNJOWAWNIDX-BDAKNGLRSA-N 1 0 226.324 0.961 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@@H](C)[NH2+][C@@H](C)C2)C1=O ZINC000420289137 192201662 /nfs/dbraw/zinc/20/16/62/192201662.db2.gz HRNHGWRYQGTBSF-TUAOUCFPSA-N 1 0 237.347 0.456 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@@H](C)[NH2+]C[C@@H]2C)C1=O ZINC000420337304 192214016 /nfs/dbraw/zinc/21/40/16/192214016.db2.gz LVAGVDYKXVGOTN-WOPDTQHZSA-N 1 0 237.347 0.456 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[NH2+]C[C@@](C)(F)C1 ZINC000420345174 192215395 /nfs/dbraw/zinc/21/53/95/192215395.db2.gz ZFCWHXSAXZYZAX-ZYHUDNBSSA-N 1 0 243.326 0.311 20 30 BCEDRO C=CCNC(=O)CN[C@@H](C[NH3+])C1CCCCC1 ZINC000420365850 192224172 /nfs/dbraw/zinc/22/41/72/192224172.db2.gz SUKOLTIWVPQLFK-LBPRGKRZSA-N 1 0 239.363 0.786 20 30 BCEDRO C=CCNC(=O)[C@H](C)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420366268 192225410 /nfs/dbraw/zinc/22/54/10/192225410.db2.gz LZFMRFJLUPUCEI-WISYIIOYSA-N 1 0 239.363 0.653 20 30 BCEDRO CC[N@@H+]1CCN(c2ncncc2C#N)C[C@H]1C ZINC000384142854 356410254 /nfs/dbraw/zinc/41/02/54/356410254.db2.gz NOPMKGVMFDNBST-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000420445738 192243124 /nfs/dbraw/zinc/24/31/24/192243124.db2.gz SNQCTIRYCWOYGN-HTQZYQBOSA-N 1 0 206.311 0.218 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H]([NH3+])CC ZINC000420461371 192244022 /nfs/dbraw/zinc/24/40/22/192244022.db2.gz GNCGIQUMSXSZMO-QMMMGPOBSA-N 1 0 206.311 0.219 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000420425646 192244149 /nfs/dbraw/zinc/24/41/49/192244149.db2.gz SPCVXZQPGZCWEZ-MNOVXSKESA-N 1 0 246.376 0.952 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+](CC)C[C@H](C)O ZINC000352219141 134109200 /nfs/dbraw/zinc/10/92/00/134109200.db2.gz BUAIRJKWSQLHNR-LBPRGKRZSA-N 1 0 240.347 0.890 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000669184011 491092674 /nfs/dbraw/zinc/09/26/74/491092674.db2.gz VQMKYNDXRLWNOP-AEJSXWLSSA-N 1 0 212.293 0.132 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000669184014 491092680 /nfs/dbraw/zinc/09/26/80/491092680.db2.gz VQMKYNDXRLWNOP-UTLUCORTSA-N 1 0 212.293 0.132 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420995065 192293917 /nfs/dbraw/zinc/29/39/17/192293917.db2.gz CYLKIDJMCBSAFD-VXGBXAGGSA-N 1 0 239.363 0.703 20 30 BCEDRO C[C@@H]1C[N@H+](CCO)CCN1Cc1ccc(C#N)o1 ZINC000449787429 202038347 /nfs/dbraw/zinc/03/83/47/202038347.db2.gz VLUGJKCTAZWTIS-LLVKDONJSA-N 1 0 249.314 0.650 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000639659505 356568525 /nfs/dbraw/zinc/56/85/25/356568525.db2.gz PHKLIWHGAGVHQH-QWHCGFSZSA-N 1 0 225.332 0.854 20 30 BCEDRO C[C@H](Cn1cccn1)[NH2+]C1CCN(CC#N)CC1 ZINC000613559545 363483153 /nfs/dbraw/zinc/48/31/53/363483153.db2.gz YJQSCPDOMHDHAI-GFCCVEGCSA-N 1 0 247.346 0.849 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1ccccn1 ZINC000639663082 356576794 /nfs/dbraw/zinc/57/67/94/356576794.db2.gz AAMRIVHDVZCSDJ-MNOVXSKESA-N 1 0 247.298 0.953 20 30 BCEDRO C=CCN(C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627204797 363501210 /nfs/dbraw/zinc/50/12/10/363501210.db2.gz GGOPDDZIRXGANH-UWVGGRQHSA-N 1 0 211.309 0.954 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627207153 363503608 /nfs/dbraw/zinc/50/36/08/363503608.db2.gz PADWXNMXLJMCEJ-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO C=CCNS(=O)(=O)CC[NH+](CC)CC ZINC000352322989 134140561 /nfs/dbraw/zinc/14/05/61/134140561.db2.gz WTQMXOUQWDOXAF-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO C[C@H](C#N)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000336454181 134147929 /nfs/dbraw/zinc/14/79/29/134147929.db2.gz GCXLGTPGYUJTSC-SCZZXKLOSA-N 1 0 207.277 0.641 20 30 BCEDRO C=CCNC(=O)CN1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC000639745237 356636722 /nfs/dbraw/zinc/63/67/22/356636722.db2.gz YACJWEQGYBHABI-TXEJJXNPSA-N 1 0 239.363 0.703 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000609921753 356654438 /nfs/dbraw/zinc/65/44/38/356654438.db2.gz ADWBSNFMPZLCID-KOLCDFICSA-N 1 0 221.304 0.747 20 30 BCEDRO C[NH+](C)C[C@H]1CN(CC2(C#N)CCC2)CCO1 ZINC000450383262 202147235 /nfs/dbraw/zinc/14/72/35/202147235.db2.gz ZJWIPUALIXKOQA-LBPRGKRZSA-N 1 0 237.347 0.943 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@H+](C)C1(CO)CC1 ZINC000353024025 134158695 /nfs/dbraw/zinc/15/86/95/134158695.db2.gz NWZOKEQAULONRR-UHFFFAOYSA-N 1 0 239.319 0.205 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](COC(F)F)C1 ZINC000353017008 134158734 /nfs/dbraw/zinc/15/87/34/134158734.db2.gz AZORTWYWCGXIFS-VIFPVBQESA-N 1 0 248.273 0.850 20 30 BCEDRO C=CCOCC(=O)NC1CC[NH+](CC)CC1 ZINC000354316925 134167846 /nfs/dbraw/zinc/16/78/46/134167846.db2.gz CWCPVYIFWAGCEX-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000355561485 134173789 /nfs/dbraw/zinc/17/37/89/134173789.db2.gz DZLMFYIFBZXRCO-LOWVWBTDSA-N 1 0 240.347 0.912 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000362072728 356941788 /nfs/dbraw/zinc/94/17/88/356941788.db2.gz PVPSJZKDLOWYSQ-LBPRGKRZSA-N 1 0 237.347 0.993 20 30 BCEDRO CCCN(CC#N)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000356998885 134181601 /nfs/dbraw/zinc/18/16/01/134181601.db2.gz UJXNMJGLJRTEHL-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369684876 356991785 /nfs/dbraw/zinc/99/17/85/356991785.db2.gz YHKQBHNWZPYZBC-GRYCIOLGSA-N 1 0 236.315 0.235 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@H](O)C1 ZINC000114470639 134182895 /nfs/dbraw/zinc/18/28/95/134182895.db2.gz ATQASYILKRPARR-RYUDHWBXSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)CN1CCOCC1)C1CC1 ZINC000357548818 134184200 /nfs/dbraw/zinc/18/42/00/134184200.db2.gz BOOLPEVDXNHLER-CYBMUJFWSA-N 1 0 240.347 0.330 20 30 BCEDRO C=CCOCC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000582295989 357030120 /nfs/dbraw/zinc/03/01/20/357030120.db2.gz CKIUIIVFWLXTPY-WDEREUQCSA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCOCC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000582295988 357030126 /nfs/dbraw/zinc/03/01/26/357030126.db2.gz CKIUIIVFWLXTPY-QWRGUYRKSA-N 1 0 226.320 0.823 20 30 BCEDRO C[N@@H+]1CCN(CC#Cc2ccccc2)[C@@H](CO)C1 ZINC000639872556 357044417 /nfs/dbraw/zinc/04/44/17/357044417.db2.gz RKIZVANUNBNYLI-OAHLLOKOSA-N 1 0 244.338 0.646 20 30 BCEDRO CC#CCNC(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000367286264 134186033 /nfs/dbraw/zinc/18/60/33/134186033.db2.gz NDWUVLLTZZRRSM-LBPRGKRZSA-N 1 0 240.372 0.953 20 30 BCEDRO CC[NH2+]CCNC(=O)c1ccc(C#N)c(C)n1 ZINC000582308139 357047188 /nfs/dbraw/zinc/04/71/88/357047188.db2.gz AZGHZXSNVWOHPK-UHFFFAOYSA-N 1 0 232.287 0.601 20 30 BCEDRO C=C[C@@H](C(=O)OC)N(C)C[C@@H]1CCOC1 ZINC000399687431 357011639 /nfs/dbraw/zinc/01/16/39/357011639.db2.gz RSAVXSYAKDBEOO-UWVGGRQHSA-N 1 0 213.277 0.682 20 30 BCEDRO CO/N=C/C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367315994 134190862 /nfs/dbraw/zinc/19/08/62/134190862.db2.gz BVLCSBSAVBRRNP-UBMYWWEXSA-N 1 0 225.292 0.362 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000359222658 134194335 /nfs/dbraw/zinc/19/43/35/134194335.db2.gz JXHXZRSRGNVJFU-GHMZBOCLSA-N 1 0 242.319 0.154 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(CCCO)CC1 ZINC000360088181 134198663 /nfs/dbraw/zinc/19/86/63/134198663.db2.gz KDQUZDZSPYNZHI-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO C[N@H+](C[C@@H](O)CNCCCC#N)C1CC1 ZINC000582602272 357348253 /nfs/dbraw/zinc/34/82/53/357348253.db2.gz UQDZHTYLOMZIBV-NSHDSACASA-N 1 0 211.309 0.335 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)COc1ccc(C#N)cc1 ZINC000582613395 357352409 /nfs/dbraw/zinc/35/24/09/357352409.db2.gz BBNYMWQCDVEHAW-SECBINFHSA-N 1 0 233.271 0.400 20 30 BCEDRO CC#CCC[N@H+](C)C1CCN(CCO)CC1 ZINC000360454194 134200334 /nfs/dbraw/zinc/20/03/34/134200334.db2.gz IIOAMXTZCKBVJT-UHFFFAOYSA-N 1 0 224.348 0.788 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)N[C@H]1CC[NH2+]C1 ZINC000582856864 357421776 /nfs/dbraw/zinc/42/17/76/357421776.db2.gz SCTSRCPGGLNFQQ-VIFPVBQESA-N 1 0 224.308 0.539 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CCC(CC#N)CC1 ZINC000397187302 357508768 /nfs/dbraw/zinc/50/87/68/357508768.db2.gz MODMSMYWEQGQND-CYBMUJFWSA-N 1 0 239.363 0.925 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000360815013 134202625 /nfs/dbraw/zinc/20/26/25/134202625.db2.gz DGPSUXGXUOQEAJ-GFCCVEGCSA-N 1 0 224.304 0.401 20 30 BCEDRO CO[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)CCC#N)C1 ZINC000361362956 134204590 /nfs/dbraw/zinc/20/45/90/134204590.db2.gz XAXUCUGXPSWEGA-QWRGUYRKSA-N 1 0 239.319 0.468 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCC(=O)NC(N)=O)c1 ZINC000584382219 357469282 /nfs/dbraw/zinc/46/92/82/357469282.db2.gz JEPSRQJBZIUASC-UHFFFAOYSA-N 1 0 246.270 0.233 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](C(=O)N2CCOCC2)C1 ZINC000054994486 363583250 /nfs/dbraw/zinc/58/32/50/363583250.db2.gz DUZJSOMXQFSNQD-LBPRGKRZSA-N 1 0 238.331 0.743 20 30 BCEDRO N#CCCCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000583215864 357568303 /nfs/dbraw/zinc/56/83/03/357568303.db2.gz YHLSGJUIVFMHDU-VIFPVBQESA-N 1 0 210.281 0.341 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230376446 357530605 /nfs/dbraw/zinc/53/06/05/357530605.db2.gz RHVRQEPSGXBAHI-WCQYABFASA-N 1 0 238.331 0.361 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000361677160 134207546 /nfs/dbraw/zinc/20/75/46/134207546.db2.gz DUJSWDPFERMVFC-SRVKXCTJSA-N 1 0 229.320 0.395 20 30 BCEDRO C=CC[N@H+](CCOC)CCN1C(=O)CCC1=O ZINC000189421381 357639243 /nfs/dbraw/zinc/63/92/43/357639243.db2.gz GQFXXIQAHZHTCP-UHFFFAOYSA-N 1 0 240.303 0.270 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362758048 134214208 /nfs/dbraw/zinc/21/42/08/134214208.db2.gz USFPXGFFJIDQOR-AXFHLTTASA-N 1 0 223.320 0.848 20 30 BCEDRO N#Cc1c[nH]c(C(=O)N2CC[NH+]3CCC2CC3)c1 ZINC000190886467 357729045 /nfs/dbraw/zinc/72/90/45/357729045.db2.gz KCTKVYJQSMFCPU-UHFFFAOYSA-N 1 0 244.298 0.807 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000368061478 134217224 /nfs/dbraw/zinc/21/72/24/134217224.db2.gz ISHZKAPJHLTJMV-WOPDTQHZSA-N 1 0 238.331 0.381 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@H](CC)[NH+](C)C ZINC000191959662 357805914 /nfs/dbraw/zinc/80/59/14/357805914.db2.gz PBWSORNAIWPDRL-NSHDSACASA-N 1 0 228.336 0.988 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000371097929 134227103 /nfs/dbraw/zinc/22/71/03/134227103.db2.gz DQDMPAJRBDKFQP-QWRGUYRKSA-N 1 0 224.304 0.093 20 30 BCEDRO C[NH+](C)[C@]1(C(=O)NCC#N)CCCSC1 ZINC000373088600 134233810 /nfs/dbraw/zinc/23/38/10/134233810.db2.gz SXIKAQQJLKZVQB-SNVBAGLBSA-N 1 0 227.333 0.454 20 30 BCEDRO Cc1nn(C[C@H](O)C[N@@H+](C)C(C)C)cc1C#N ZINC000584421657 357918361 /nfs/dbraw/zinc/91/83/61/357918361.db2.gz YRTVPKZXZWFCNL-GFCCVEGCSA-N 1 0 236.319 0.764 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639950341 357973270 /nfs/dbraw/zinc/97/32/70/357973270.db2.gz SAIPSURELTYMTF-HONMWMINSA-N 1 0 248.326 0.773 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@](C)(CO)COC ZINC000639956739 357980057 /nfs/dbraw/zinc/98/00/57/357980057.db2.gz YIAOKYFVZPRUMU-GHMZBOCLSA-N 1 0 217.309 0.301 20 30 BCEDRO C[C@@H](C(=O)NC1CCN(CC#N)CC1)[NH+](C)C ZINC000610560667 357987848 /nfs/dbraw/zinc/98/78/48/357987848.db2.gz QKPUDCRJLZSSNV-JTQLQIEISA-N 1 0 238.335 0.041 20 30 BCEDRO NC(=[NH2+])NCc1cccc(N2CC=CC2)c1 ZINC000304254976 134237170 /nfs/dbraw/zinc/23/71/70/134237170.db2.gz AHBLMXKWGIIKMR-UHFFFAOYSA-N 1 0 216.288 0.836 20 30 BCEDRO CC(C)(C#N)CCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604164 358015927 /nfs/dbraw/zinc/01/59/27/358015927.db2.gz DWWOIFSOOXHGDV-PHIMTYICSA-N 1 0 226.320 0.744 20 30 BCEDRO N#Cc1csc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000350322740 358054079 /nfs/dbraw/zinc/05/40/79/358054079.db2.gz UUECFIOLZUDSMN-VHSXEESVSA-N 1 0 238.312 0.547 20 30 BCEDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677422 358065753 /nfs/dbraw/zinc/06/57/53/358065753.db2.gz FHTAWKSCBXFBMR-YPMHNXCESA-N 1 0 236.363 0.514 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170712930 134253114 /nfs/dbraw/zinc/25/31/14/134253114.db2.gz IDRZBTOOVSXKST-GFCCVEGCSA-N 1 0 237.347 0.459 20 30 BCEDRO C=C(CC)C[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000640051093 358145744 /nfs/dbraw/zinc/14/57/44/358145744.db2.gz GLAXXSDAZZBCRX-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO CCOC(=O)CC[C@@H](O)C[NH2+]CCCC#N ZINC000584715896 358159455 /nfs/dbraw/zinc/15/94/55/358159455.db2.gz FCCCYXMNCUVGJL-SNVBAGLBSA-N 1 0 228.292 0.584 20 30 BCEDRO N#CCN1CCC([NH2+]CC2=CCCOC2)CC1 ZINC000610898901 358228993 /nfs/dbraw/zinc/22/89/93/358228993.db2.gz QUDKJXSUBKWFMP-UHFFFAOYSA-N 1 0 235.331 0.911 20 30 BCEDRO CCNC(=[NH2+])NC[C@H](O)c1cccc(OC)c1 ZINC000267450399 535423405 /nfs/dbraw/zinc/42/34/05/535423405.db2.gz RFBOVIIPVGCMGD-NSHDSACASA-N 1 0 237.303 0.653 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](O)c1cccc(F)c1 ZINC000264082395 535423441 /nfs/dbraw/zinc/42/34/41/535423441.db2.gz HXMOOZRVRNSPEY-SNVBAGLBSA-N 1 0 225.267 0.783 20 30 BCEDRO CCNC(=[NH2+])NCc1cn2ccccc2n1 ZINC000264094705 535423856 /nfs/dbraw/zinc/42/38/56/535423856.db2.gz LPTRUPOPNVDXDL-UHFFFAOYSA-N 1 0 217.276 0.759 20 30 BCEDRO CCNC(=[NH2+])NC[C@H](c1ccco1)N(C)C ZINC000264079111 535423028 /nfs/dbraw/zinc/42/30/28/535423028.db2.gz HYYCIDZZKFHTOZ-SECBINFHSA-N 1 0 224.308 0.807 20 30 BCEDRO C[N@H+](CCCCO)CCOCCC#N ZINC000339120743 358514979 /nfs/dbraw/zinc/51/49/79/358514979.db2.gz SORZEOVZQZYXEC-UHFFFAOYSA-N 1 0 200.282 0.621 20 30 BCEDRO CC(C)(C)[C@@H]([NH2+]Cc1ccnc(C#N)c1)C(N)=O ZINC000610993579 358422771 /nfs/dbraw/zinc/42/27/71/358422771.db2.gz VEQUVWXBYXKJHL-NSHDSACASA-N 1 0 246.314 0.943 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000044824665 358555894 /nfs/dbraw/zinc/55/58/94/358555894.db2.gz LEDZERYVJVLMQE-JTQLQIEISA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@H](CNC(=O)C1(C#N)CCOCC1)[NH+](C)C ZINC000045109497 358558830 /nfs/dbraw/zinc/55/88/30/358558830.db2.gz SDUACXWOBPAISN-SNVBAGLBSA-N 1 0 239.319 0.373 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@@H](C)C[C@@H]1C ZINC000547768574 325394409 /nfs/dbraw/zinc/39/44/09/325394409.db2.gz AWGMZPLLLOEPEK-GUBZILKMSA-N 1 0 239.319 0.869 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@H+](CCO)C1CC1 ZINC000042479247 358525044 /nfs/dbraw/zinc/52/50/44/358525044.db2.gz YCDDXGDIABTRET-UHFFFAOYSA-N 1 0 239.319 0.205 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@@H](C)O ZINC000130589818 358632356 /nfs/dbraw/zinc/63/23/56/358632356.db2.gz PSJWHOWZJBJPIU-GHMZBOCLSA-N 1 0 241.335 0.307 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)C[C@@H](C)O ZINC000131270565 358667106 /nfs/dbraw/zinc/66/71/06/358667106.db2.gz LCFKTIJVPNGBPU-SNVBAGLBSA-N 1 0 227.308 0.061 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CCO)C1CCCCC1 ZINC000049855131 358704026 /nfs/dbraw/zinc/70/40/26/358704026.db2.gz DUUUTWIZMDLWCZ-UHFFFAOYSA-N 1 0 240.347 0.916 20 30 BCEDRO CC[N@H+](CCCC(=O)NC(N)=O)C[C@H](C)C#N ZINC000049442052 358689449 /nfs/dbraw/zinc/68/94/49/358689449.db2.gz AOQYAIUBVLUBPN-SECBINFHSA-N 1 0 240.307 0.443 20 30 BCEDRO C[C@@H](C[NH2+]CCC#N)CN1CCOCC1 ZINC000578232613 366463339 /nfs/dbraw/zinc/46/33/39/366463339.db2.gz ZVNOHOZUPCUSLR-NSHDSACASA-N 1 0 211.309 0.458 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NCCN1CCOCC1 ZINC000136175489 358866375 /nfs/dbraw/zinc/86/63/75/358866375.db2.gz ZHQAAZRFJQCIHN-LBPRGKRZSA-N 1 0 239.319 0.375 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C#N)cc1 ZINC000135502911 358840795 /nfs/dbraw/zinc/84/07/95/358840795.db2.gz WCFRJDZDORIRQL-VIFPVBQESA-N 1 0 217.272 0.912 20 30 BCEDRO CC1(C[NH+]2CCN(CCC#N)CC2)COC1 ZINC000611174858 358917990 /nfs/dbraw/zinc/91/79/90/358917990.db2.gz RWFRKNATSHZVEZ-UHFFFAOYSA-N 1 0 223.320 0.554 20 30 BCEDRO COCC[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175813 358934759 /nfs/dbraw/zinc/93/47/59/358934759.db2.gz NAONCZXFVVAZIY-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCC[C@@H](C)O)CC1 ZINC000136057361 325439346 /nfs/dbraw/zinc/43/93/46/325439346.db2.gz QKWJSSCWJZMRMD-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO CCOCC[N@@H+]1CCN(CC#N)C[C@@H]1C ZINC000071864799 359081337 /nfs/dbraw/zinc/08/13/37/359081337.db2.gz AYDPHXYPKVRSQF-NSHDSACASA-N 1 0 211.309 0.553 20 30 BCEDRO C=CC[N@@H+]1CCCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000072252736 359085470 /nfs/dbraw/zinc/08/54/70/359085470.db2.gz VDEZDZSFZFIYFR-LBPRGKRZSA-N 1 0 238.331 0.886 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000611194717 359118972 /nfs/dbraw/zinc/11/89/72/359118972.db2.gz DQNQXLILBAZCNL-GFCCVEGCSA-N 1 0 225.288 0.521 20 30 BCEDRO CC[N@@H+](CC#CCOC)CCC(=O)OC ZINC000611194682 359119295 /nfs/dbraw/zinc/11/92/95/359119295.db2.gz WHQDEKNBMSSNRX-UHFFFAOYSA-N 1 0 213.277 0.521 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000611237488 359205077 /nfs/dbraw/zinc/20/50/77/359205077.db2.gz LCDOZVYZQXJBLS-CMPLNLGQSA-N 1 0 227.304 0.808 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000613795190 363641766 /nfs/dbraw/zinc/64/17/66/363641766.db2.gz ANZXFSKWNNMYIQ-NSHDSACASA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](O)C(=O)NCC1([NH+](C)C)CCC1 ZINC000613795325 363642079 /nfs/dbraw/zinc/64/20/79/363642079.db2.gz CHKQTLUGBXWPFI-VIFPVBQESA-N 1 0 212.293 0.134 20 30 BCEDRO C=C[C@@H](NCCN1CCCOCC1)C(=O)OC ZINC000619702344 363644151 /nfs/dbraw/zinc/64/41/51/363644151.db2.gz CRXHTTQNVRVOFN-LLVKDONJSA-N 1 0 242.319 0.026 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NC(N)=O)c1cccc(C#N)c1 ZINC000611387754 359358205 /nfs/dbraw/zinc/35/82/05/359358205.db2.gz GJDXQTOCRMTQFZ-QMMMGPOBSA-N 1 0 246.270 0.404 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000611432657 359364776 /nfs/dbraw/zinc/36/47/76/359364776.db2.gz IEULRDGGFZUZRR-GRYCIOLGSA-N 1 0 244.404 0.901 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)c1ccc(C#N)nc1 ZINC000611426419 359367677 /nfs/dbraw/zinc/36/76/77/359367677.db2.gz HPHNAFABKMUQLQ-UHFFFAOYSA-N 1 0 246.314 0.977 20 30 BCEDRO N#CCN1CCC([NH2+]C[C@@H]2CCCOC2)CC1 ZINC000611439184 359371659 /nfs/dbraw/zinc/37/16/59/359371659.db2.gz KCRRGVQYNGRJJU-LBPRGKRZSA-N 1 0 237.347 0.991 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)NCC(C)(C)C#N)C1 ZINC000611623521 359401895 /nfs/dbraw/zinc/40/18/95/359401895.db2.gz KRHHMZURSFIAFH-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO CCN(CCC#N)C[C@H](O)C[N@H+](C)C(C)C ZINC000390639086 359519633 /nfs/dbraw/zinc/51/96/33/359519633.db2.gz KKSLOAUBRWSZNH-GFCCVEGCSA-N 1 0 227.352 0.923 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423690321 192823182 /nfs/dbraw/zinc/82/31/82/192823182.db2.gz YMFDEMCKVXOTDV-AXFHLTTASA-N 1 0 226.320 0.916 20 30 BCEDRO CCOC(=O)CC[C@H](O)C[NH2+]C[C@@H](C)C#N ZINC000580434583 359545819 /nfs/dbraw/zinc/54/58/19/359545819.db2.gz BKVOUZWHLMWIDT-UWVGGRQHSA-N 1 0 228.292 0.440 20 30 BCEDRO CNC(=O)CC[NH+]1CCC(CC#N)CC1 ZINC000397201316 359647566 /nfs/dbraw/zinc/64/75/66/359647566.db2.gz QFVWANLYPYKWPC-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO COC[C@H](O)C[NH+]1CCC(CC#N)CC1 ZINC000397207322 359647731 /nfs/dbraw/zinc/64/77/31/359647731.db2.gz UUHLGLAKAKPWJP-LLVKDONJSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@@H+]1C[C@H](O)[C@@H](C)C1 ZINC000351777004 366541300 /nfs/dbraw/zinc/54/13/00/366541300.db2.gz DXZBNFFYTZXWIO-RYUDHWBXSA-N 1 0 238.331 0.500 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCCN(c3cncc(C#N)n3)[C@@H]2C1 ZINC000578436896 366566989 /nfs/dbraw/zinc/56/69/89/366566989.db2.gz NFAVXCPXYRDPTE-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCC(=O)NC ZINC000578451222 366572596 /nfs/dbraw/zinc/57/25/96/366572596.db2.gz ZGRAHLBYQIDKRU-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO C[C@@H](C#N)CNC(=O)CC1CC[NH+](C)CC1 ZINC000612427378 359848926 /nfs/dbraw/zinc/84/89/26/359848926.db2.gz HGHHHBBBNQPOEK-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CC)CCC[NH+]1CCCC1 ZINC000613880738 363677684 /nfs/dbraw/zinc/67/76/84/363677684.db2.gz SGMVLLVORISZAU-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@H](F)C1 ZINC000451179743 202371317 /nfs/dbraw/zinc/37/13/17/202371317.db2.gz BDIYGHOOXSMSKP-BDAKNGLRSA-N 1 0 200.257 0.721 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@H](F)C1 ZINC000451185350 202373477 /nfs/dbraw/zinc/37/34/77/202373477.db2.gz LOCCXEYSJTWEAZ-BDAKNGLRSA-N 1 0 243.282 0.431 20 30 BCEDRO C[C@](CO)([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000169251807 359909813 /nfs/dbraw/zinc/90/98/13/359909813.db2.gz SZAFOVLLKBHFKI-CYBMUJFWSA-N 1 0 247.298 0.123 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2CCOC2(C)C)C1=O ZINC000451241067 202384131 /nfs/dbraw/zinc/38/41/31/202384131.db2.gz JRLSKJNYPKFTER-GHMZBOCLSA-N 1 0 238.331 0.930 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000088485548 359958373 /nfs/dbraw/zinc/95/83/73/359958373.db2.gz DIYZZXMJRNIOCY-NXEZZACHSA-N 1 0 245.348 0.254 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000612649917 359971221 /nfs/dbraw/zinc/97/12/21/359971221.db2.gz OOGVHZBCXDUNDK-SRVKXCTJSA-N 1 0 238.331 0.476 20 30 BCEDRO CCOC[C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000578860793 366659212 /nfs/dbraw/zinc/65/92/12/366659212.db2.gz LRYXVRKUMNXRCV-NWDGAFQWSA-N 1 0 243.351 0.207 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000612692688 360005657 /nfs/dbraw/zinc/00/56/57/360005657.db2.gz CBHFZHXTUNUIHW-UFBFGSQYSA-N 1 0 235.287 0.320 20 30 BCEDRO C=CCOCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612898515 360157522 /nfs/dbraw/zinc/15/75/22/360157522.db2.gz GFGUVZPBKYTBIJ-NSHDSACASA-N 1 0 227.308 0.240 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000092842782 360203344 /nfs/dbraw/zinc/20/33/44/360203344.db2.gz JBOKVPKLWLESBY-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612908445 360172357 /nfs/dbraw/zinc/17/23/57/360172357.db2.gz MEPYSAPNPJIILO-SCVCMEIPSA-N 1 0 239.319 0.381 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000613149026 360448757 /nfs/dbraw/zinc/44/87/57/360448757.db2.gz OTEUKPUENIHHJA-AXFHLTTASA-N 1 0 226.320 0.474 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@H]2CCC[N@H+]2C)nn1 ZINC000628648164 360594802 /nfs/dbraw/zinc/59/48/02/360594802.db2.gz FWESHJKKEKARTB-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000628748662 360631014 /nfs/dbraw/zinc/63/10/14/360631014.db2.gz CMLLKFYQMQWRJW-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CC(C)(C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629167930 360917796 /nfs/dbraw/zinc/91/77/96/360917796.db2.gz HUIRUBJCLNSYFE-SNVBAGLBSA-N 1 0 226.320 0.381 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)NC[C@@H]1CCCCO1 ZINC000424105617 200860303 /nfs/dbraw/zinc/86/03/03/200860303.db2.gz VRZAERWAHLYGQZ-QWRGUYRKSA-N 1 0 239.319 0.693 20 30 BCEDRO C=CCCn1cc(C(=O)NCCCC[NH3+])nn1 ZINC000424140842 200867543 /nfs/dbraw/zinc/86/75/43/200867543.db2.gz FQMSSJWYORGMJV-UHFFFAOYSA-N 1 0 237.307 0.323 20 30 BCEDRO C=CCCn1cc(C(=O)NC[C@@H](C)[NH2+]C)nn1 ZINC000424165613 200872145 /nfs/dbraw/zinc/87/21/45/200872145.db2.gz GCOGRWWKZHZXDR-SECBINFHSA-N 1 0 237.307 0.192 20 30 BCEDRO C=CCCn1cc(C(=O)NC[C@H]([NH3+])CC)nn1 ZINC000424179051 200877122 /nfs/dbraw/zinc/87/71/22/200877122.db2.gz SGUJQHZDBJSFTP-SECBINFHSA-N 1 0 237.307 0.321 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[NH2+]C1 ZINC000424208240 200888921 /nfs/dbraw/zinc/88/89/21/200888921.db2.gz JWIQESBDLGCXOL-AXFHLTTASA-N 1 0 224.304 0.303 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@H](C[NH3+])C2)C1 ZINC000424470636 200929025 /nfs/dbraw/zinc/92/90/25/200929025.db2.gz RCIDBNOONKDQTG-HBNTYKKESA-N 1 0 236.319 0.669 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)CC[NH3+] ZINC000424478815 200929061 /nfs/dbraw/zinc/92/90/61/200929061.db2.gz NQBHXCNWYGGPIZ-DCAQKATOSA-N 1 0 241.335 0.614 20 30 BCEDRO C=CCn1cc(CN[C@H]2C[NH2+]CC[C@@H]2C)nn1 ZINC000424376356 200925550 /nfs/dbraw/zinc/92/55/50/200925550.db2.gz LLRFLJSQZJJNHV-JQWIXIFHSA-N 1 0 235.335 0.552 20 30 BCEDRO C=CCOCC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428943511 201051813 /nfs/dbraw/zinc/05/18/13/201051813.db2.gz PNEPPIAOYNNHBP-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000579374890 366773886 /nfs/dbraw/zinc/77/38/86/366773886.db2.gz RKGBVVQSHNAZFV-CYBMUJFWSA-N 1 0 240.347 0.866 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccc1 ZINC000579447574 366802634 /nfs/dbraw/zinc/80/26/34/366802634.db2.gz UIXGIHKGOKJILP-CQSZACIVSA-N 1 0 247.342 0.983 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1CCO ZINC000429770339 201131248 /nfs/dbraw/zinc/13/12/48/201131248.db2.gz UFHORBWMKXSBPS-SDDRHHMPSA-N 1 0 240.347 0.818 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000579472695 366821307 /nfs/dbraw/zinc/82/13/07/366821307.db2.gz JIRXPSABEKXQFF-VHSXEESVSA-N 1 0 212.293 0.433 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000613228148 361562290 /nfs/dbraw/zinc/56/22/90/361562290.db2.gz YACKZKPFHVGYRL-AEJSXWLSSA-N 1 0 212.293 0.084 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(CC#N)CC1 ZINC000435231661 201256953 /nfs/dbraw/zinc/25/69/53/201256953.db2.gz YELYLZTUGHOCTQ-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCOCC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435248374 201257317 /nfs/dbraw/zinc/25/73/17/201257317.db2.gz NYEOXDKLYOUHGN-NSHDSACASA-N 1 0 224.304 0.542 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000435423806 201269320 /nfs/dbraw/zinc/26/93/20/201269320.db2.gz SBZFXIHBBCXYBZ-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[NH+]1CCCC1 ZINC000435439427 201271294 /nfs/dbraw/zinc/27/12/94/201271294.db2.gz UZKUEJZAGXBOJG-UHFFFAOYSA-N 1 0 232.349 0.578 20 30 BCEDRO C=C(C)CS(=O)(=O)NC[C@@H]1CCC[N@H+]1C ZINC000435431187 201271650 /nfs/dbraw/zinc/27/16/50/201271650.db2.gz HJCFSAFOZUTKSS-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C=C(C)CS(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000435431188 201271960 /nfs/dbraw/zinc/27/19/60/201271960.db2.gz HJCFSAFOZUTKSS-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C[C@H]1C[C@]1(C#N)C(=O)NCC(C)(C)[NH+](C)C ZINC000448581119 201341918 /nfs/dbraw/zinc/34/19/18/201341918.db2.gz IRZOMDNVJPWPBZ-JOYOIKCWSA-N 1 0 223.320 0.993 20 30 BCEDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@H](C)C#N ZINC000041680712 361711061 /nfs/dbraw/zinc/71/10/61/361711061.db2.gz ATZURLUATIXAHM-NXEZZACHSA-N 1 0 211.309 0.993 20 30 BCEDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@@H](C)C#N ZINC000041680711 361711134 /nfs/dbraw/zinc/71/11/34/361711134.db2.gz ATZURLUATIXAHM-UWVGGRQHSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@H](CNC(=O)[C@@]1(C#N)C[C@H]1C)C[NH+](C)C ZINC000452010002 202508684 /nfs/dbraw/zinc/50/86/84/202508684.db2.gz VMWDRDQFXZDQBK-CKYFFXLPSA-N 1 0 223.320 0.850 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCN(CC)C[C@@H]1C ZINC000614711272 363934842 /nfs/dbraw/zinc/93/48/42/363934842.db2.gz VVRGUFAXRROMCU-UWVGGRQHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=CCC(C)(C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614847511 363996272 /nfs/dbraw/zinc/99/62/72/363996272.db2.gz MESFGYNLEJXOTJ-JTQLQIEISA-N 1 0 228.336 0.627 20 30 BCEDRO C=CC(C)(C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614841270 363991015 /nfs/dbraw/zinc/99/10/15/363991015.db2.gz DCQYNZRBCNTSJH-VIFPVBQESA-N 1 0 214.309 0.237 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000614961024 364237581 /nfs/dbraw/zinc/23/75/81/364237581.db2.gz REWYXYOEWIMWTP-WDEREUQCSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000614979324 364268138 /nfs/dbraw/zinc/26/81/38/364268138.db2.gz MNOMCCLDDQDJQR-CMPLNLGQSA-N 1 0 228.336 0.768 20 30 BCEDRO C=CCCn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000630590320 364300129 /nfs/dbraw/zinc/30/01/29/364300129.db2.gz DEYIIBZPSHHFCK-UHFFFAOYSA-N 1 0 235.335 0.302 20 30 BCEDRO C=CCCn1cc(C[C@H]([NH3+])CCOC)nn1 ZINC000630590639 364303127 /nfs/dbraw/zinc/30/31/27/364303127.db2.gz KOFVAKGTMXCQBM-SNVBAGLBSA-N 1 0 224.308 0.761 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)OC ZINC000134402558 364402263 /nfs/dbraw/zinc/40/22/63/364402263.db2.gz RJUOUIVYHNRTOK-DTWKUNHWSA-N 1 0 200.282 0.302 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H](C)C[N@@H+](CC)CCC ZINC000615066346 364447965 /nfs/dbraw/zinc/44/79/65/364447965.db2.gz AAPCFRFWSJOKGJ-WDEREUQCSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000615041242 364409830 /nfs/dbraw/zinc/40/98/30/364409830.db2.gz MNOMCCLDDQDJQR-ZYHUDNBSSA-N 1 0 228.336 0.768 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](COC)C1CC1 ZINC000136672113 364475340 /nfs/dbraw/zinc/47/53/40/364475340.db2.gz YROMWQBOMMXNOS-MWLCHTKSSA-N 1 0 226.320 0.692 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000615178860 364600615 /nfs/dbraw/zinc/60/06/15/364600615.db2.gz ZCTSWOJDHSQOQA-MWLCHTKSSA-N 1 0 214.309 0.237 20 30 BCEDRO C[C@H]([NH2+][C@H]1COC[C@@H]1O)c1ccc(C#N)cc1 ZINC000037749443 364572000 /nfs/dbraw/zinc/57/20/00/364572000.db2.gz ATEUFVREVMFDQD-XDTLVQLUSA-N 1 0 232.283 0.969 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000354605632 219948483 /nfs/dbraw/zinc/94/84/83/219948483.db2.gz VIKBTRNGEMIHEJ-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CC1CC1 ZINC000294107508 364775745 /nfs/dbraw/zinc/77/57/45/364775745.db2.gz YSXJYCFFTIPNKZ-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1cnnn1CC ZINC000573437137 364832360 /nfs/dbraw/zinc/83/23/60/364832360.db2.gz OLUONWMSLUNKOW-JQWIXIFHSA-N 1 0 236.319 0.979 20 30 BCEDRO C[NH+](C)[C@H]1CN([C@@H]2CC[C@H](C#N)C2)C[C@@H]1O ZINC000573456195 364839634 /nfs/dbraw/zinc/83/96/34/364839634.db2.gz WQZJINHVVWGHCJ-USZNOCQGSA-N 1 0 223.320 0.285 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[NH2+]CC1 ZINC000573834058 364926546 /nfs/dbraw/zinc/92/65/46/364926546.db2.gz KQXJHNBLDSQQQO-QWRGUYRKSA-N 1 0 239.319 0.192 20 30 BCEDRO CC(C)(O)C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000573803074 364919012 /nfs/dbraw/zinc/91/90/12/364919012.db2.gz GGRODIFTOFEMRT-UHFFFAOYSA-N 1 0 245.286 0.461 20 30 BCEDRO C[C@@H]1CC[N@H+](C)CCN1c1cc(C#N)ncn1 ZINC000573903430 364941378 /nfs/dbraw/zinc/94/13/78/364941378.db2.gz PMXOKZHYKQLIPS-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@H]1CC[N@H+](C)CCN1c1cc(C#N)ncn1 ZINC000573903427 364941458 /nfs/dbraw/zinc/94/14/58/364941458.db2.gz PMXOKZHYKQLIPS-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO CC(C)NC(=O)CC[NH2+]C[C@@H](C#N)CCC#N ZINC000574032797 364971394 /nfs/dbraw/zinc/97/13/94/364971394.db2.gz WGAYNCBFHKQFCS-LLVKDONJSA-N 1 0 236.319 0.934 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000574130064 364992821 /nfs/dbraw/zinc/99/28/21/364992821.db2.gz DPFVQCRSWGWPNG-MXWKQRLJSA-N 1 0 224.304 0.398 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN(C)C[C@@H](C)C#N ZINC000379818796 365281107 /nfs/dbraw/zinc/28/11/07/365281107.db2.gz SOZOUENHGQUOHU-WDEREUQCSA-N 1 0 213.325 0.390 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000575759421 365356568 /nfs/dbraw/zinc/35/65/68/365356568.db2.gz SUVWGVMLCPQMMT-RYUDHWBXSA-N 1 0 225.336 0.989 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](C)S(C)(=O)=O ZINC000575862044 365388473 /nfs/dbraw/zinc/38/84/73/365388473.db2.gz RKLIVSOUBROSPA-AEJSXWLSSA-N 1 0 233.333 0.353 20 30 BCEDRO CC(=O)N1CCN(CCOCCC#N)CC1 ZINC000338902573 365440344 /nfs/dbraw/zinc/44/03/44/365440344.db2.gz LSWMBQFDUWISTC-UHFFFAOYSA-N 1 0 225.292 0.081 20 30 BCEDRO COC(=O)[C@H]1CCCCN1CCOCCC#N ZINC000338882178 365440520 /nfs/dbraw/zinc/44/05/20/365440520.db2.gz YFYYBEGNTRMIMN-LLVKDONJSA-N 1 0 240.303 0.944 20 30 BCEDRO N#CCCOCCN1CC[NH+](CC2CC2)CC1 ZINC000338930765 365442008 /nfs/dbraw/zinc/44/20/08/365442008.db2.gz XIIPUKXVHAUSSG-UHFFFAOYSA-N 1 0 237.347 0.944 20 30 BCEDRO CC[C@@H]1C[N@H+](CCOCCC#N)C[C@H]1O ZINC000339057375 365446992 /nfs/dbraw/zinc/44/69/92/365446992.db2.gz ARMLYTZBNSVGMI-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO CCOC(=O)[C@H]1CCCN1CCOCCC#N ZINC000339096401 365448514 /nfs/dbraw/zinc/44/85/14/365448514.db2.gz SXFGMORVHNRTJL-LLVKDONJSA-N 1 0 240.303 0.944 20 30 BCEDRO CNC(=O)[C@@]1(C)CC[N@H+](CCOCCC#N)C1 ZINC000339150500 365449586 /nfs/dbraw/zinc/44/95/86/365449586.db2.gz SWEPWYUMFREIKL-LBPRGKRZSA-N 1 0 239.319 0.375 20 30 BCEDRO C[C@H]1CC[N@H+](CCOCCC#N)[C@H]1CO ZINC000339113351 365449700 /nfs/dbraw/zinc/44/97/00/365449700.db2.gz CBQRTEZJRFCNBK-QWRGUYRKSA-N 1 0 212.293 0.619 20 30 BCEDRO C[C@@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)N(C)C ZINC000380246784 366992072 /nfs/dbraw/zinc/99/20/72/366992072.db2.gz OJOJHERJKMLMDX-UTLUCORTSA-N 1 0 209.293 0.745 20 30 BCEDRO N#Cc1cccc(CN(CC[NH3+])CCO)c1 ZINC000565043908 325849940 /nfs/dbraw/zinc/84/99/40/325849940.db2.gz KHXFEVVUTOLRNM-UHFFFAOYSA-N 1 0 219.288 0.311 20 30 BCEDRO C=C(C)CS(=O)(=O)NC1CC[NH+](C)CC1 ZINC000184303179 367071562 /nfs/dbraw/zinc/07/15/62/367071562.db2.gz GOKLCPMFYBOEDY-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO N#CCNC(=O)C[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000152993950 325854336 /nfs/dbraw/zinc/85/43/36/325854336.db2.gz OUJOTVIALIOEFU-UWVGGRQHSA-N 1 0 207.277 0.358 20 30 BCEDRO N#CCCC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367453039 367083668 /nfs/dbraw/zinc/08/36/68/367083668.db2.gz XSIALIZNFLZANG-CMPLNLGQSA-N 1 0 221.304 0.937 20 30 BCEDRO N#CCCC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367453040 367083725 /nfs/dbraw/zinc/08/37/25/367083725.db2.gz XSIALIZNFLZANG-JQWIXIFHSA-N 1 0 221.304 0.937 20 30 BCEDRO N#CCCNC1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000579943212 367094200 /nfs/dbraw/zinc/09/42/00/367094200.db2.gz GDOAWKKLMHCQFB-OLZOCXBDSA-N 1 0 237.347 0.867 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[NH2+]C1CC1 ZINC000579947205 367096357 /nfs/dbraw/zinc/09/63/57/367096357.db2.gz ZABZVDITQAZXIC-ONGXEEELSA-N 1 0 224.304 0.446 20 30 BCEDRO Cc1cc(C#N)nc(N2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000116823063 370839637 /nfs/dbraw/zinc/83/96/37/370839637.db2.gz SKOOEHPLDBKDJT-UWVGGRQHSA-N 1 0 229.287 0.312 20 30 BCEDRO N#CCC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000580770284 367160124 /nfs/dbraw/zinc/16/01/24/367160124.db2.gz WPHSLFDFUYONBK-ONGXEEELSA-N 1 0 207.277 0.547 20 30 BCEDRO CC[NH+](CC)CCS(=O)(=O)NC[C@H](C)C#N ZINC000581039554 367242732 /nfs/dbraw/zinc/24/27/32/367242732.db2.gz BTTGGNKJHNTVBR-SNVBAGLBSA-N 1 0 247.364 0.407 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCN1C(=O)N[C@@H](C)C1=O ZINC000581319021 367345122 /nfs/dbraw/zinc/34/51/22/367345122.db2.gz ONVKNZHRYMGVPO-IUCAKERBSA-N 1 0 238.291 0.209 20 30 BCEDRO C[NH+](C)CCNC(=O)c1cnccc1C#N ZINC000258944572 370861478 /nfs/dbraw/zinc/86/14/78/370861478.db2.gz KXOYJHGQRWIDGZ-UHFFFAOYSA-N 1 0 218.260 0.245 20 30 BCEDRO C=CCN1CC[C@H](N(C)[C@H](C)C[NH3+])C1=O ZINC000581251803 367307804 /nfs/dbraw/zinc/30/78/04/367307804.db2.gz QKKNDMSHQPENLA-ZJUUUORDSA-N 1 0 211.309 0.052 20 30 BCEDRO COC(=O)N1CC([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000381435098 367403043 /nfs/dbraw/zinc/40/30/43/367403043.db2.gz CMAKQOQBKWMHFH-IUCAKERBSA-N 1 0 223.276 0.719 20 30 BCEDRO COC(=O)N1CC([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000381435101 367403270 /nfs/dbraw/zinc/40/32/70/367403270.db2.gz CMAKQOQBKWMHFH-RKDXNWHRSA-N 1 0 223.276 0.719 20 30 BCEDRO C[C@@H](O)C[N@H+](Cc1ccc(C#N)cn1)[C@@H](C)CO ZINC000581455302 367478726 /nfs/dbraw/zinc/47/87/26/367478726.db2.gz CZBXHKWGQCENJO-WDEREUQCSA-N 1 0 249.314 0.517 20 30 BCEDRO C[C@H](CO)[N@@H+](Cc1ccc(C#N)cn1)C[C@H](C)O ZINC000581455300 367478750 /nfs/dbraw/zinc/47/87/50/367478750.db2.gz CZBXHKWGQCENJO-MNOVXSKESA-N 1 0 249.314 0.517 20 30 BCEDRO C=C1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000382574968 367543372 /nfs/dbraw/zinc/54/33/72/367543372.db2.gz BVVODSHUXGIPLR-NSHDSACASA-N 1 0 224.304 0.544 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@](C)(CC)OC ZINC000383080600 367594547 /nfs/dbraw/zinc/59/45/47/367594547.db2.gz TXWPZKJSHIZLSG-ZDUSSCGKSA-N 1 0 240.347 0.873 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CC[C@H]([NH3+])[C@@H]1C ZINC000383346916 367615303 /nfs/dbraw/zinc/61/53/03/367615303.db2.gz MVPJVLRVOBQNCR-RYUDHWBXSA-N 1 0 237.347 0.609 20 30 BCEDRO C=CC(C)(C)C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000384814016 367736374 /nfs/dbraw/zinc/73/63/74/367736374.db2.gz AONRJSACCJDTRA-GFCCVEGCSA-N 1 0 242.363 0.481 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)C[C@H]1C ZINC000384958737 367765125 /nfs/dbraw/zinc/76/51/25/367765125.db2.gz RHXMETOKUWNMPO-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000440837880 201522747 /nfs/dbraw/zinc/52/27/47/201522747.db2.gz LNAUVURNQPSKDH-LLVKDONJSA-N 1 0 246.376 0.872 20 30 BCEDRO CC(=O)NCC[N@@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000566186086 326008401 /nfs/dbraw/zinc/00/84/01/326008401.db2.gz HCTWUOOJNHLZOD-GHMZBOCLSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615600312 368128434 /nfs/dbraw/zinc/12/84/34/368128434.db2.gz CDZBLUMPZLRPKO-AAEUAGOBSA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCOCCCC(=O)N1CC(C[NH+](C)C)C1 ZINC000615509114 368083855 /nfs/dbraw/zinc/08/38/55/368083855.db2.gz KYNRQXIEGPTZFY-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO C=CCCOCC(=O)N1CC(C[NH+](C)C)C1 ZINC000615512041 368084592 /nfs/dbraw/zinc/08/45/92/368084592.db2.gz DFWAYUWDBYRLTJ-UHFFFAOYSA-N 1 0 226.320 0.599 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000566405778 326040014 /nfs/dbraw/zinc/04/00/14/326040014.db2.gz GVEQVORSIBKTLF-SDDRHHMPSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](CC)C1CC1 ZINC000045770839 368432833 /nfs/dbraw/zinc/43/28/33/368432833.db2.gz AXMBIMWDGBPFJC-UHFFFAOYSA-N 1 0 225.292 0.483 20 30 BCEDRO C[NH+]1CCC(C(=O)N2CC[C@@](F)(C#N)C2)CC1 ZINC000615824590 368459545 /nfs/dbraw/zinc/45/95/45/368459545.db2.gz BDLCLEBSMCWZIG-GFCCVEGCSA-N 1 0 239.294 0.792 20 30 BCEDRO N#CCN1CCC(CC[NH+]2CCOCC2)CC1 ZINC000064344390 368604746 /nfs/dbraw/zinc/60/47/46/368604746.db2.gz NNSDNVCBCLEMMF-UHFFFAOYSA-N 1 0 237.347 0.944 20 30 BCEDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)CSCC#N ZINC000615917699 368658376 /nfs/dbraw/zinc/65/83/76/368658376.db2.gz SEUOLADYXSVRNB-NXEZZACHSA-N 1 0 241.360 0.842 20 30 BCEDRO C=C(CC)CNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567148956 326124527 /nfs/dbraw/zinc/12/45/27/326124527.db2.gz JCTVEPRFYUKDHY-NSHDSACASA-N 1 0 240.351 0.237 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)C[C@@H](C)C#N)CC1 ZINC000068081206 368713099 /nfs/dbraw/zinc/71/30/99/368713099.db2.gz MBFPMAWCBWLSDW-LBPRGKRZSA-N 1 0 247.342 0.950 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(CC#N)C2CC2)CC1 ZINC000068230570 368718475 /nfs/dbraw/zinc/71/84/75/368718475.db2.gz HBTMGFIVRZOTEB-UHFFFAOYSA-N 1 0 245.326 0.846 20 30 BCEDRO CCC(N)=[NH+]OCc1cccc(C(N)=O)c1 ZINC000067385567 368686482 /nfs/dbraw/zinc/68/64/82/368686482.db2.gz YKCQATMZLMRZTN-UHFFFAOYSA-N 1 0 221.260 0.984 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457233061 203020630 /nfs/dbraw/zinc/02/06/30/203020630.db2.gz IHLPDTGKABHTPW-LBPRGKRZSA-N 1 0 228.336 0.770 20 30 BCEDRO COCCN(CC#N)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000457206185 203019643 /nfs/dbraw/zinc/01/96/43/203019643.db2.gz RVXGQLJFWTWNCX-QWRGUYRKSA-N 1 0 239.319 0.183 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@H](C#N)C2)C1 ZINC000259738547 370936500 /nfs/dbraw/zinc/93/65/00/370936500.db2.gz DQAVRXKEPVXFKU-GHMZBOCLSA-N 1 0 237.303 0.079 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000259738549 370936825 /nfs/dbraw/zinc/93/68/25/370936825.db2.gz DQAVRXKEPVXFKU-MNOVXSKESA-N 1 0 237.303 0.079 20 30 BCEDRO N#CCCCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000074316583 368837867 /nfs/dbraw/zinc/83/78/67/368837867.db2.gz OEAKRCLPVRSIRX-JTQLQIEISA-N 1 0 245.348 0.433 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000615960211 368791008 /nfs/dbraw/zinc/79/10/08/368791008.db2.gz XPDDRYPMOWKNNS-JAUFEGHXSA-N 1 0 238.331 0.665 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000616185594 369017548 /nfs/dbraw/zinc/01/75/48/369017548.db2.gz ANDOUEXPOXLTLW-CYBMUJFWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](O)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000617923831 369049297 /nfs/dbraw/zinc/04/92/97/369049297.db2.gz JJXWGYIBQFTHEM-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO N#Cc1ccncc1N1CCC[NH2+]CC1 ZINC000106880859 369214849 /nfs/dbraw/zinc/21/48/49/369214849.db2.gz VHSJHSYCQUFVAL-UHFFFAOYSA-N 1 0 202.261 0.753 20 30 BCEDRO C[NH+](C)CC(C)(C)NC(=O)NCCCC#N ZINC000458655655 203186709 /nfs/dbraw/zinc/18/67/09/203186709.db2.gz PUIKNOAJUXWFGM-UHFFFAOYSA-N 1 0 226.324 0.930 20 30 BCEDRO CC#CCN(C)C(=O)NCCOCC[NH+](C)C ZINC000458706002 203189216 /nfs/dbraw/zinc/18/92/16/203189216.db2.gz ZMVHXQHVCOTVGT-UHFFFAOYSA-N 1 0 241.335 0.229 20 30 BCEDRO CCOC(=O)c1cnn(C[C@@H](C)[NH3+])c1C#N ZINC000567730550 326252209 /nfs/dbraw/zinc/25/22/09/326252209.db2.gz IIZHBURJUJXPDX-SSDOTTSWSA-N 1 0 222.248 0.279 20 30 BCEDRO C[N@@H+]1CC[C@@]2(CCN(c3cncc(C#N)n3)C2)C1 ZINC000401312353 369361072 /nfs/dbraw/zinc/36/10/72/369361072.db2.gz WIFKMMMXGXSLEN-CYBMUJFWSA-N 1 0 243.314 0.880 20 30 BCEDRO N#Cc1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)nc1 ZINC000405343639 369453876 /nfs/dbraw/zinc/45/38/76/369453876.db2.gz FCOOMDKCTNNPCI-NWDGAFQWSA-N 1 0 244.298 0.208 20 30 BCEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459693939 203337163 /nfs/dbraw/zinc/33/71/63/203337163.db2.gz JNDHPZIEVQUZQW-NEPJUHHUSA-N 1 0 238.335 0.973 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCOC[C@@H]1C#N ZINC000260198201 370983309 /nfs/dbraw/zinc/98/33/09/370983309.db2.gz WZIWCVUCIARBDJ-QWRGUYRKSA-N 1 0 237.303 0.222 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000260218419 370984684 /nfs/dbraw/zinc/98/46/84/370984684.db2.gz WEYYGIPLGQIKEX-GHMZBOCLSA-N 1 0 223.320 0.946 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C2CCN(CCO)CC2)C1 ZINC000619673344 369522398 /nfs/dbraw/zinc/52/23/98/369522398.db2.gz GXHZFMGVLYWDKL-YPMHNXCESA-N 1 0 237.347 0.725 20 30 BCEDRO COC[C@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000250413932 369525012 /nfs/dbraw/zinc/52/50/12/369525012.db2.gz OGERUGOISBODGK-HBNTYKKESA-N 1 0 212.293 0.618 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000619718773 369548702 /nfs/dbraw/zinc/54/87/02/369548702.db2.gz WMDRTJLQMRSBRS-RYUDHWBXSA-N 1 0 240.347 0.988 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)C[C@@H]1CCC[C@@H]1O ZINC000619719896 369550050 /nfs/dbraw/zinc/55/00/50/369550050.db2.gz LMUDJKNNNHUQKH-AXFHLTTASA-N 1 0 227.304 0.807 20 30 BCEDRO C=C[C@@H](C(=O)OC)N(C)CCCC(=O)NC ZINC000619720067 369550111 /nfs/dbraw/zinc/55/01/11/369550111.db2.gz XOAZPSUZWPZVAI-VIFPVBQESA-N 1 0 228.292 0.172 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@](O)(CC)C1 ZINC000619721836 369552713 /nfs/dbraw/zinc/55/27/13/369552713.db2.gz IZJBPJWNPNAMGO-MWLCHTKSSA-N 1 0 213.277 0.561 20 30 BCEDRO C[NH2+]C1(CNC(=O)c2ccnc(C#N)c2)CCC1 ZINC000600827220 369568265 /nfs/dbraw/zinc/56/82/65/369568265.db2.gz VJAKKKJSOCJCQV-UHFFFAOYSA-N 1 0 244.298 0.825 20 30 BCEDRO C[NH2+]C1(CNC(=O)c2ccc(C#N)[nH]2)CCC1 ZINC000600825352 369568280 /nfs/dbraw/zinc/56/82/80/369568280.db2.gz SMJZJWGAWUGZFC-UHFFFAOYSA-N 1 0 232.287 0.758 20 30 BCEDRO C[NH2+][C@H](C)c1cn(-c2ncccc2C#N)nn1 ZINC000600976024 369582300 /nfs/dbraw/zinc/58/23/00/369582300.db2.gz HNMQXTKMHOPHNT-MRVPVSSYSA-N 1 0 228.259 0.814 20 30 BCEDRO C[NH2+]Cc1cn(Cc2cccc(C#N)c2)nn1 ZINC000600973813 369583327 /nfs/dbraw/zinc/58/33/27/369583327.db2.gz XRMMEXGNOURZAI-UHFFFAOYSA-N 1 0 227.271 0.917 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CN1Cc1ccncc1C#N ZINC000601329587 369621060 /nfs/dbraw/zinc/62/10/60/369621060.db2.gz KMWFNRCPIKLYFO-SKDRFNHKSA-N 1 0 216.288 0.875 20 30 BCEDRO N#Cc1csc(C[NH2+][C@@H]2COCC[C@H]2O)c1 ZINC000601158679 369599059 /nfs/dbraw/zinc/59/90/59/369599059.db2.gz ALHLITCBVUQOBF-GHMZBOCLSA-N 1 0 238.312 0.859 20 30 BCEDRO C=CCCOCC(=O)NC1CC[NH+](C)CC1 ZINC000620166976 369755128 /nfs/dbraw/zinc/75/51/28/369755128.db2.gz DVPMFFSZLWPOJL-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1ccnc(C#N)n1 ZINC000601984583 369730410 /nfs/dbraw/zinc/73/04/10/369730410.db2.gz SLENQJJTSVZTRD-DTWKUNHWSA-N 1 0 217.276 0.323 20 30 BCEDRO N#Cc1nccc(N2CC[C@H]3CC[NH2+][C@H]3C2)n1 ZINC000601981280 369730495 /nfs/dbraw/zinc/73/04/95/369730495.db2.gz UPVNVTRJCBCWOU-ZJUUUORDSA-N 1 0 229.287 0.536 20 30 BCEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)Cc1ccc(C#N)nc1 ZINC000602512561 369802491 /nfs/dbraw/zinc/80/24/91/369802491.db2.gz CHDYLOUEUAPKNZ-UWVGGRQHSA-N 1 0 246.314 0.738 20 30 BCEDRO CN(C)C(=O)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000602528226 369805762 /nfs/dbraw/zinc/80/57/62/369805762.db2.gz NWVWJKHJQOATKF-UHFFFAOYSA-N 1 0 246.314 0.911 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]Cc1cccc(C#N)n1 ZINC000602569709 369814827 /nfs/dbraw/zinc/81/48/27/369814827.db2.gz RFRKDBAUZSZBRM-QMMMGPOBSA-N 1 0 218.260 0.307 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)Cc1ccc(C#N)nc1 ZINC000602596574 369822423 /nfs/dbraw/zinc/82/24/23/369822423.db2.gz QCCIRRLYBYTTES-KOLCDFICSA-N 1 0 244.298 0.444 20 30 BCEDRO C[C@@]1(C(=O)Nc2cccc(C#N)c2)C[NH2+]CCO1 ZINC000602602147 369827697 /nfs/dbraw/zinc/82/76/97/369827697.db2.gz AHJGFAVMXKBXHL-ZDUSSCGKSA-N 1 0 245.282 0.875 20 30 BCEDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602644386 369833811 /nfs/dbraw/zinc/83/38/11/369833811.db2.gz NENMQNWORCGTNT-CYBMUJFWSA-N 1 0 244.298 0.651 20 30 BCEDRO C[S@](=O)C1(C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602658732 369835037 /nfs/dbraw/zinc/83/50/37/369835037.db2.gz XBCGXCYIOHLHOU-KRWDZBQOSA-N 1 0 249.339 0.954 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1cccc(C#N)n1 ZINC000602653544 369835389 /nfs/dbraw/zinc/83/53/89/369835389.db2.gz NGHWCWUIYSAIFO-LLVKDONJSA-N 1 0 221.260 0.050 20 30 BCEDRO N#Cc1ncn(CC[NH2+]C[C@@H]2C[C@H]3C[C@H]3C2)n1 ZINC000602652367 369835542 /nfs/dbraw/zinc/83/55/42/369835542.db2.gz CWNSLMCSZLGNJP-JGPRNRPPSA-N 1 0 231.303 0.785 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)[C@H]1CC1(F)F ZINC000602655603 369835702 /nfs/dbraw/zinc/83/57/02/369835702.db2.gz QGWPQOZZRURSBN-HTQZYQBOSA-N 1 0 241.245 0.783 20 30 BCEDRO CCC[C@H](C[NH2+]CCn1cnc(C#N)n1)OC ZINC000602652301 369835833 /nfs/dbraw/zinc/83/58/33/369835833.db2.gz CIMRSMIBXWEVLL-SNVBAGLBSA-N 1 0 237.307 0.554 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)Cc1ccc(C#N)nc1 ZINC000602427311 369786950 /nfs/dbraw/zinc/78/69/50/369786950.db2.gz DWXIQJHADYIHBX-VIFPVBQESA-N 1 0 232.287 0.349 20 30 BCEDRO CC(C)[C@H]([NH3+])CNC(=O)Cc1ccc(C#N)nc1 ZINC000602436173 369787767 /nfs/dbraw/zinc/78/77/67/369787767.db2.gz XXCOKRCHOWXILS-GFCCVEGCSA-N 1 0 246.314 0.595 20 30 BCEDRO N#Cc1ccc(CC(=O)N[C@H](C[NH3+])C2CC2)cn1 ZINC000602432546 369788602 /nfs/dbraw/zinc/78/86/02/369788602.db2.gz HOOWOJQKFCFYRS-GFCCVEGCSA-N 1 0 244.298 0.349 20 30 BCEDRO CN(C(=O)Cc1ccc(C#N)nc1)C1CC([NH3+])C1 ZINC000602496891 369796056 /nfs/dbraw/zinc/79/60/56/369796056.db2.gz GCYQPSFPOORHFD-UHFFFAOYSA-N 1 0 244.298 0.444 20 30 BCEDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(C#N)cc1 ZINC000602896671 369861096 /nfs/dbraw/zinc/86/10/96/369861096.db2.gz GFCGABANEQUSDC-UONOGXRCSA-N 1 0 246.310 0.876 20 30 BCEDRO C[NH2+][C@@H](C)c1cn(Cc2ccc(C#N)cn2)nn1 ZINC000603224462 369899294 /nfs/dbraw/zinc/89/92/94/369899294.db2.gz ZKXFUKFWGKKMGH-VIFPVBQESA-N 1 0 242.286 0.873 20 30 BCEDRO C[NH2+][C@H](C)c1cn(Cc2ccncc2C#N)nn1 ZINC000603254186 369905736 /nfs/dbraw/zinc/90/57/36/369905736.db2.gz MLOYZOFVNILBER-SECBINFHSA-N 1 0 242.286 0.873 20 30 BCEDRO N#Cc1nccnc1NC[C@@H]1CSCC[NH2+]1 ZINC000603417768 369960019 /nfs/dbraw/zinc/96/00/19/369960019.db2.gz ALTHLZOUDVCQET-MRVPVSSYSA-N 1 0 235.316 0.465 20 30 BCEDRO CC[C@H](C#N)C(=O)N(C)CCC[NH+](C)C ZINC000110895342 369998972 /nfs/dbraw/zinc/99/89/72/369998972.db2.gz KDZRIHCAXPLNID-SNVBAGLBSA-N 1 0 211.309 0.946 20 30 BCEDRO C[C@@H](CO)C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000604417939 370035131 /nfs/dbraw/zinc/03/51/31/370035131.db2.gz SNKAKVLQIVZGQG-SECBINFHSA-N 1 0 245.286 0.319 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000621159325 370131938 /nfs/dbraw/zinc/13/19/38/370131938.db2.gz IVSCOVGRZSSMHA-PWSUYJOCSA-N 1 0 226.320 0.380 20 30 BCEDRO C[C@H](CC#N)N[C@H](C)C(=O)NCC(F)(F)F ZINC000309749122 370251987 /nfs/dbraw/zinc/25/19/87/370251987.db2.gz JYQFEWLHJDPDKG-RNFRBKRXSA-N 1 0 237.225 0.945 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621363568 370297745 /nfs/dbraw/zinc/29/77/45/370297745.db2.gz SAQBAXWFSBSEPI-GRYCIOLGSA-N 1 0 240.347 0.627 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621370875 370306627 /nfs/dbraw/zinc/30/66/27/370306627.db2.gz TYHJNTSHFIXBBQ-WOPDTQHZSA-N 1 0 213.321 0.874 20 30 BCEDRO C[C@@H](CNCCC#N)C[NH+]1CCN(C)CC1 ZINC000568501470 326360293 /nfs/dbraw/zinc/36/02/93/326360293.db2.gz XIWGNKBVJVLINB-LBPRGKRZSA-N 1 0 224.352 0.373 20 30 BCEDRO C=C(CC)C[NH2+]C[C@H](O)CO[C@H](C)COC ZINC000313482330 370590033 /nfs/dbraw/zinc/59/00/33/370590033.db2.gz MRMRDNKKXRJXQB-NEPJUHHUSA-N 1 0 231.336 0.955 20 30 BCEDRO C[C@H](CC#N)[NH2+]CCCN1CCOCC1 ZINC000037871380 371038243 /nfs/dbraw/zinc/03/82/43/371038243.db2.gz VTINVTRCMBPKBH-LLVKDONJSA-N 1 0 211.309 0.600 20 30 BCEDRO CN(C[C@@H]1CCC[N@@H+]1C)c1nccnc1C#N ZINC000092631229 371106042 /nfs/dbraw/zinc/10/60/42/371106042.db2.gz YOSYNUPIDYRTAG-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO COC[C@](C)(O)CC[NH2+]C[C@@H](C#N)CCC#N ZINC000569112260 326390743 /nfs/dbraw/zinc/39/07/43/326390743.db2.gz VXVWSFFWJNYDFO-VXGBXAGGSA-N 1 0 239.319 0.807 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000623946251 371172548 /nfs/dbraw/zinc/17/25/48/371172548.db2.gz TXMQORZKSWPBSJ-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000623946252 371172571 /nfs/dbraw/zinc/17/25/71/371172571.db2.gz TXMQORZKSWPBSJ-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000623946250 371172636 /nfs/dbraw/zinc/17/26/36/371172636.db2.gz TXMQORZKSWPBSJ-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO CN(CCC[NH+](C)C)c1cc(C#N)ncn1 ZINC000390621405 371220766 /nfs/dbraw/zinc/22/07/66/371220766.db2.gz FVLXWNRSUDRGAK-UHFFFAOYSA-N 1 0 219.292 0.736 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000390804273 371236699 /nfs/dbraw/zinc/23/66/99/371236699.db2.gz WLZMJCCDRLIATE-UTLUCORTSA-N 1 0 209.293 0.697 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CCN(CCC#N)CC1 ZINC000157042657 371517552 /nfs/dbraw/zinc/51/75/52/371517552.db2.gz HRTRTLMSGLNESR-QWRGUYRKSA-N 1 0 238.335 0.028 20 30 BCEDRO C=CC[C@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624393148 371498116 /nfs/dbraw/zinc/49/81/16/371498116.db2.gz NCWQUWIGAPWGKR-QMMMGPOBSA-N 1 0 234.307 0.489 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627654960 371814025 /nfs/dbraw/zinc/81/40/25/371814025.db2.gz USDJTKIDSIGPBP-RSLMWUCJSA-N 1 0 238.331 0.332 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000228060263 371983047 /nfs/dbraw/zinc/98/30/47/371983047.db2.gz DFHKNGNEDFABQX-SNVBAGLBSA-N 1 0 246.314 0.767 20 30 BCEDRO C[C@@]1(O)CC[N@H+](Cc2ccnc(C#N)c2)C1 ZINC000228060309 371983395 /nfs/dbraw/zinc/98/33/95/371983395.db2.gz QUGZNISBKDEICW-GFCCVEGCSA-N 1 0 217.272 0.910 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@@H]2C[NH2+]CCO2)cc1 ZINC000134255122 372185997 /nfs/dbraw/zinc/18/59/97/372185997.db2.gz OHYYECSVMMGDNF-LBPRGKRZSA-N 1 0 245.282 0.276 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1C[C@@H]([NH3+])C[C@@H]1C ZINC000631858418 372658035 /nfs/dbraw/zinc/65/80/35/372658035.db2.gz YJZWLVCQJMATHP-RYUDHWBXSA-N 1 0 237.347 0.609 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCCCC[C@H]([NH3+])C1 ZINC000631832405 372615998 /nfs/dbraw/zinc/61/59/98/372615998.db2.gz FKUJUNKRWFAJQP-RYUDHWBXSA-N 1 0 239.363 0.880 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631855549 372654795 /nfs/dbraw/zinc/65/47/95/372654795.db2.gz LXCGMHDUVINJRQ-MXWKQRLJSA-N 1 0 223.320 0.113 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000631888401 372681301 /nfs/dbraw/zinc/68/13/01/372681301.db2.gz YPBWVCHGCUDRMO-VXGBXAGGSA-N 1 0 237.347 0.363 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000631888396 372683020 /nfs/dbraw/zinc/68/30/20/372683020.db2.gz YPBWVCHGCUDRMO-NEPJUHHUSA-N 1 0 237.347 0.363 20 30 BCEDRO C=C[C@H](C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631926428 372695026 /nfs/dbraw/zinc/69/50/26/372695026.db2.gz XFZXTYGFWJMRAB-VIFPVBQESA-N 1 0 247.364 0.079 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@H](C)CC ZINC000171950033 372837540 /nfs/dbraw/zinc/83/75/40/372837540.db2.gz NJMACHLQOWTZPC-SNVBAGLBSA-N 1 0 241.335 0.976 20 30 BCEDRO C=CCCN(C)S(=O)(=O)CCC[NH+](C)C ZINC000632262009 372844441 /nfs/dbraw/zinc/84/44/41/372844441.db2.gz GMDLRUOJFFMECM-UHFFFAOYSA-N 1 0 234.365 0.776 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000632369515 372902200 /nfs/dbraw/zinc/90/22/00/372902200.db2.gz PBVONWWPQOFPAA-QWRGUYRKSA-N 1 0 246.376 0.917 20 30 BCEDRO C=CCCS(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000632488323 372970038 /nfs/dbraw/zinc/97/00/38/372970038.db2.gz RISJKLHEIIHNGO-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000633650086 373658763 /nfs/dbraw/zinc/65/87/63/373658763.db2.gz RZLIMWXYZXLYFT-OUAUKWLOSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCOC[C@H]1C ZINC000192125932 205944199 /nfs/dbraw/zinc/94/41/99/205944199.db2.gz SVOIOKDIWMFAMC-ZJUUUORDSA-N 1 0 212.293 0.303 20 30 BCEDRO COC[C@](C)([NH3+])CNc1cc(C)ncc1C#N ZINC000425228042 206021131 /nfs/dbraw/zinc/02/11/31/206021131.db2.gz OXESMNBOQHBSLW-GFCCVEGCSA-N 1 0 234.303 0.459 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000289444308 206028100 /nfs/dbraw/zinc/02/81/00/206028100.db2.gz AZWCFRVSPBHHKB-JTQLQIEISA-N 1 0 222.292 0.179 20 30 BCEDRO CCn1cc(NC(=O)[C@H]([NH3+])CCCC#N)cn1 ZINC000424087538 206028750 /nfs/dbraw/zinc/02/87/50/206028750.db2.gz ICWDZBOGBWKMGF-SNVBAGLBSA-N 1 0 235.291 0.863 20 30 BCEDRO CSC[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424129460 206033272 /nfs/dbraw/zinc/03/32/72/206033272.db2.gz RXICBZBJOUTZIQ-IUCAKERBSA-N 1 0 229.349 0.875 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CCNS(=O)(=O)N(C)C ZINC000459544439 206132696 /nfs/dbraw/zinc/13/26/96/206132696.db2.gz ZLBVKBSDZQNJMW-SNVBAGLBSA-N 1 0 249.380 0.327 20 30 BCEDRO CCCNC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000190094302 169183631 /nfs/dbraw/zinc/18/36/31/169183631.db2.gz UPEPAIKFYFXFLB-OPRDCNLKSA-N 1 0 211.309 0.868 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2ccc(C#N)o2)C1 ZINC000334467458 383895848 /nfs/dbraw/zinc/89/58/48/383895848.db2.gz DZYOKLTZAIMZML-UHFFFAOYSA-N 1 0 219.244 0.537 20 30 BCEDRO CO[C@@H]1C[N@H+](Cc2ccc(C#N)cc2)C[C@H]1O ZINC000395352931 383905618 /nfs/dbraw/zinc/90/56/18/383905618.db2.gz GFHWPSDGXHVDST-CHWSQXEVSA-N 1 0 232.283 0.750 20 30 BCEDRO COC[C@H](CO)[NH2+]Cc1ccc(C#N)s1 ZINC000234789405 383996724 /nfs/dbraw/zinc/99/67/24/383996724.db2.gz VJRGNGXFBIYCBX-QMMMGPOBSA-N 1 0 226.301 0.717 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](C)CC(=O)OCC ZINC000089585019 383977944 /nfs/dbraw/zinc/97/79/44/383977944.db2.gz FJVLNWDBAWFCLX-VIFPVBQESA-N 1 0 227.308 0.666 20 30 BCEDRO Cc1noc(CNC(=[NH2+])NCC2CCC2)n1 ZINC000104176907 134388200 /nfs/dbraw/zinc/38/82/00/134388200.db2.gz NQQZPEBLUHLFFN-UHFFFAOYSA-N 1 0 223.280 0.582 20 30 BCEDRO C=C(Br)CNC(=O)[C@H](C)[NH3+] ZINC000155895873 384053162 /nfs/dbraw/zinc/05/31/62/384053162.db2.gz UQIOFPPIRXMMPO-YFKPBYRVSA-N 1 0 207.071 0.358 20 30 BCEDRO COC[C@@H](O)CC[NH2+]Cc1nc(C#N)cs1 ZINC000309630942 384101062 /nfs/dbraw/zinc/10/10/62/384101062.db2.gz HSTUBBBMVJCBNY-VIFPVBQESA-N 1 0 241.316 0.502 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292839473 533036066 /nfs/dbraw/zinc/03/60/66/533036066.db2.gz BAHSFBVSGWKKHQ-ZDUSSCGKSA-N 1 0 248.330 0.821 20 30 BCEDRO COc1cc(CN2C[C@H](O)[C@@H](O)C2)ccc1C#N ZINC000235012491 384174401 /nfs/dbraw/zinc/17/44/01/384174401.db2.gz DKKWKKGWJUJRPE-RYUDHWBXSA-N 1 0 248.282 0.104 20 30 BCEDRO C#CCCNC(N[C@@H]1C[C@H](OC)C1(C)C)=[NH+]C ZINC000261632689 533044670 /nfs/dbraw/zinc/04/46/70/533044670.db2.gz CROZSJRMCYJCNW-MNOVXSKESA-N 1 0 237.347 0.988 20 30 BCEDRO C#CCCNC(=[NH+]C)N(C)C[C@@H]1CCOC1 ZINC000261645561 533043913 /nfs/dbraw/zinc/04/39/13/533043913.db2.gz LSPXGVPVNLNDMC-NSHDSACASA-N 1 0 223.320 0.553 20 30 BCEDRO C=C(C)COCC[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000162337000 384203656 /nfs/dbraw/zinc/20/36/56/384203656.db2.gz GDMAKYBVPYDMNB-NSHDSACASA-N 1 0 249.376 0.992 20 30 BCEDRO C#CCC[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000375923069 533047542 /nfs/dbraw/zinc/04/75/42/533047542.db2.gz YQERIMWAPOJDPY-UHFFFAOYSA-N 1 0 229.287 0.810 20 30 BCEDRO COc1cc(C[NH2+]C[C@@H](O)CO)ccc1C#N ZINC000234846704 384186903 /nfs/dbraw/zinc/18/69/03/384186903.db2.gz VMDBFVROAQOFOC-LLVKDONJSA-N 1 0 236.271 0.010 20 30 BCEDRO CN(Cc1ccc(C#N)s1)[C@H]1CCNC1=O ZINC000336369999 384217541 /nfs/dbraw/zinc/21/75/41/384217541.db2.gz IYWTXHWKCSWHKL-JTQLQIEISA-N 1 0 235.312 0.940 20 30 BCEDRO CN(Cc1ccc(C#N)s1)[C@@H]1CCNC1=O ZINC000336370000 384218894 /nfs/dbraw/zinc/21/88/94/384218894.db2.gz IYWTXHWKCSWHKL-SNVBAGLBSA-N 1 0 235.312 0.940 20 30 BCEDRO CC[C@@H](CO)[NH2+]Cc1nc(C#N)cs1 ZINC000336653137 384245425 /nfs/dbraw/zinc/24/54/25/384245425.db2.gz LHTRBGWMPFSGTJ-ZETCQYMHSA-N 1 0 211.290 0.875 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000235528295 384264695 /nfs/dbraw/zinc/26/46/95/384264695.db2.gz NBGPNTFZQXDYKH-MVWJERBFSA-N 1 0 238.331 0.834 20 30 BCEDRO CS[C@@H]1CC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000425342429 384273903 /nfs/dbraw/zinc/27/39/03/384273903.db2.gz AADROATVJIBSSZ-RKDXNWHRSA-N 1 0 237.332 0.633 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000405410251 384296089 /nfs/dbraw/zinc/29/60/89/384296089.db2.gz TXYHGTYMHAAFFY-DTWKUNHWSA-N 1 0 211.309 0.004 20 30 BCEDRO C#CCCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000363457439 533053709 /nfs/dbraw/zinc/05/37/09/533053709.db2.gz LSOJRJUNJNMQEC-CHWSQXEVSA-N 1 0 222.332 0.541 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCc1nccn1C ZINC000070855028 384357076 /nfs/dbraw/zinc/35/70/76/384357076.db2.gz KMERGFOOPBCRRT-QMMMGPOBSA-N 1 0 206.249 0.586 20 30 BCEDRO CC(C)(CC#N)CNc1cc[nH+]cc1C(N)=O ZINC000560821033 384368824 /nfs/dbraw/zinc/36/88/24/384368824.db2.gz AGPOEFBXNDCYKA-UHFFFAOYSA-N 1 0 232.287 0.954 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000337400051 384421469 /nfs/dbraw/zinc/42/14/69/384421469.db2.gz GWOVQDKVIBPMIL-SNVBAGLBSA-N 1 0 246.314 0.910 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)[C@H](C)OC ZINC000490876408 384455773 /nfs/dbraw/zinc/45/57/73/384455773.db2.gz UHUXSYKEMGCIIM-QWRGUYRKSA-N 1 0 225.288 0.662 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCc2cn[nH]c2)CC1 ZINC000600738183 384432489 /nfs/dbraw/zinc/43/24/89/384432489.db2.gz DTFDUQSZHIDHKC-NSHDSACASA-N 1 0 234.303 0.597 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369285620 533062942 /nfs/dbraw/zinc/06/29/42/533062942.db2.gz QFCGBOBQOCQCQE-NWDGAFQWSA-N 1 0 235.331 0.936 20 30 BCEDRO CC(C)COC[C@H](O)CN(C)CCC#N ZINC000175583256 384457060 /nfs/dbraw/zinc/45/70/60/384457060.db2.gz BLZNIKXIOCFIQS-LLVKDONJSA-N 1 0 214.309 0.865 20 30 BCEDRO C#CCCNC(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000372856835 533066023 /nfs/dbraw/zinc/06/60/23/533066023.db2.gz KBCIWRYTEGLBOS-LBPRGKRZSA-N 1 0 240.372 0.953 20 30 BCEDRO C#C[C@H](CC)[NH2+]C1CCN(C(C)=O)CC1 ZINC000229881652 384461305 /nfs/dbraw/zinc/46/13/05/384461305.db2.gz KXZIUOBYONQMQB-LLVKDONJSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCCNC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000372856833 533065328 /nfs/dbraw/zinc/06/53/28/533065328.db2.gz KBCIWRYTEGLBOS-GFCCVEGCSA-N 1 0 240.372 0.953 20 30 BCEDRO C#CCN(CC)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000490877249 384458681 /nfs/dbraw/zinc/45/86/81/384458681.db2.gz XJCVVAPFPQHEHV-LLVKDONJSA-N 1 0 240.372 0.905 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000249105624 384490615 /nfs/dbraw/zinc/49/06/15/384490615.db2.gz XBKDUBIEARRAJS-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](CO)C1 ZINC000363349605 384528116 /nfs/dbraw/zinc/52/81/16/384528116.db2.gz VYGYKRZODDLVDE-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCCC[C@H](CO)C1 ZINC000363349603 384529253 /nfs/dbraw/zinc/52/92/53/384529253.db2.gz VYGYKRZODDLVDE-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249938257 384529271 /nfs/dbraw/zinc/52/92/71/384529271.db2.gz SMUDYPTYMPSDII-UKKRHICBSA-N 1 0 241.335 0.493 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000249938262 384529530 /nfs/dbraw/zinc/52/95/30/384529530.db2.gz SMUDYPTYMPSDII-ZDCRXTMVSA-N 1 0 241.335 0.493 20 30 BCEDRO [NH2+]=C(NC1CC1)N[C@@H]1C[C@H]2OCCC[C@H]12 ZINC000249953364 384529550 /nfs/dbraw/zinc/52/95/50/384529550.db2.gz VKFBEDXBBUXXLV-OPRDCNLKSA-N 1 0 209.293 0.621 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H](CC)Cn1cncn1 ZINC000309731025 384569150 /nfs/dbraw/zinc/56/91/50/384569150.db2.gz ZYUNVEMPQFAPPM-MNOVXSKESA-N 1 0 224.308 0.583 20 30 BCEDRO C#CC[N@@H+](C)CCCNc1cc(=O)n(C)cn1 ZINC000491380940 384603818 /nfs/dbraw/zinc/60/38/18/384603818.db2.gz BTNISCRFWBOOHJ-UHFFFAOYSA-N 1 0 234.303 0.147 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCC(C)(C)CO ZINC000491383160 384629547 /nfs/dbraw/zinc/62/95/47/384629547.db2.gz KYBAJHUQUKQSDV-UHFFFAOYSA-N 1 0 240.347 0.514 20 30 BCEDRO C#CCN(C(=O)NCCC[NH2+]C)C1CC1 ZINC000491384338 384641740 /nfs/dbraw/zinc/64/17/40/384641740.db2.gz ONNCKYMRTOVKNM-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCO[C@@H]1C1CC1 ZINC000491384820 384654425 /nfs/dbraw/zinc/65/44/25/384654425.db2.gz PSUHDIIAHLGLGD-DGCLKSJQSA-N 1 0 236.315 0.283 20 30 BCEDRO CC#CCC[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000155586597 384725059 /nfs/dbraw/zinc/72/50/59/384725059.db2.gz RJHBDJFIOAKHAI-JTQLQIEISA-N 1 0 212.293 0.222 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000491780713 384679721 /nfs/dbraw/zinc/67/97/21/384679721.db2.gz MIHDBSRJAYEOGA-UWVGGRQHSA-N 1 0 209.293 0.449 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3cc(C#N)ncn3)C[C@H]2C1 ZINC000565751139 384684315 /nfs/dbraw/zinc/68/43/15/384684315.db2.gz JOAPYXKDGOMSJP-AOOOYVTPSA-N 1 0 229.287 0.346 20 30 BCEDRO CC#CCC[NH+]1CCC(C(=O)NC)CC1 ZINC000155059811 384688756 /nfs/dbraw/zinc/68/87/56/384688756.db2.gz FNJYGQCPVVJZTR-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CCC[C@H]1CO ZINC000050115104 384693946 /nfs/dbraw/zinc/69/39/46/384693946.db2.gz DCIRWKWFUIIMQS-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CCNC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000518111746 384694325 /nfs/dbraw/zinc/69/43/25/384694325.db2.gz XKPAQBKIOHHAIF-SNVBAGLBSA-N 1 0 211.309 0.908 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CCCOC)CC1 ZINC000491804947 384775266 /nfs/dbraw/zinc/77/52/66/384775266.db2.gz NHKPGNNUIRDPJT-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NCCC[NH2+]CC ZINC000518140701 384731579 /nfs/dbraw/zinc/73/15/79/384731579.db2.gz ODAYSRVEJJRPEM-LLVKDONJSA-N 1 0 243.351 0.470 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC/C=C\C[NH3+] ZINC000644199064 384747524 /nfs/dbraw/zinc/74/75/24/384747524.db2.gz XOFJRKOTGMEBES-WZQADMAKSA-N 1 0 239.319 0.392 20 30 BCEDRO C[C@@H]([NH3+])C[C@@H](C)Nc1nccc(C#N)n1 ZINC000320593061 384748710 /nfs/dbraw/zinc/74/87/10/384748710.db2.gz WBLNYWIYUJZQJT-HTQZYQBOSA-N 1 0 205.265 0.886 20 30 BCEDRO C=C(Br)CNC(=O)C(C)(C)[NH3+] ZINC000155896004 384766785 /nfs/dbraw/zinc/76/67/85/384766785.db2.gz IROWASQFFUUGHB-UHFFFAOYSA-N 1 0 221.098 0.749 20 30 BCEDRO C#CCN(C(=O)NCCC[N@@H+](C)CC#C)C1CC1 ZINC000297524833 384833223 /nfs/dbraw/zinc/83/32/23/384833223.db2.gz QFNFVOBEHNQJBN-UHFFFAOYSA-N 1 0 247.342 0.749 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(COC)C1 ZINC000491806831 384782019 /nfs/dbraw/zinc/78/20/19/384782019.db2.gz RPDOBZKLFBTHSJ-WCQYABFASA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCc1cnn(C)c1 ZINC000104192716 384810463 /nfs/dbraw/zinc/81/04/63/384810463.db2.gz OVDREMBNZCOAQH-UHFFFAOYSA-N 1 0 235.335 0.833 20 30 BCEDRO Cn1ccnc1CN1CCOC[C@@H]1C#N ZINC000177112240 384870538 /nfs/dbraw/zinc/87/05/38/384870538.db2.gz CWLPKBUKVQNYRY-VIFPVBQESA-N 1 0 206.249 0.144 20 30 BCEDRO CC[C@@H](C(=O)NCC#CCO)[NH+](CC)CC ZINC000559248801 384877533 /nfs/dbraw/zinc/87/75/33/384877533.db2.gz HRDBIUZQYBXAHG-NSHDSACASA-N 1 0 226.320 0.219 20 30 BCEDRO C#CCN(C(=O)NCC[NH3+])C1CCCCC1 ZINC000491430597 384839711 /nfs/dbraw/zinc/83/97/11/384839711.db2.gz YQRMJJOYKACQND-UHFFFAOYSA-N 1 0 223.320 0.923 20 30 BCEDRO C=CCN1CCC([NH2+]C[C@H](O)COCC)CC1 ZINC000644549096 384951992 /nfs/dbraw/zinc/95/19/92/384951992.db2.gz QCSQCFBICWJJDW-ZDUSSCGKSA-N 1 0 242.363 0.624 20 30 BCEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](O)C2)CC1 ZINC000528373980 384899446 /nfs/dbraw/zinc/89/94/46/384899446.db2.gz SFTGDTMWJVVHFO-UWVGGRQHSA-N 1 0 210.277 0.108 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000191720276 384907656 /nfs/dbraw/zinc/90/76/56/384907656.db2.gz ZDLHZMOITDQYHR-GUBZILKMSA-N 1 0 212.293 0.137 20 30 BCEDRO C[NH+]1CCC(NC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181168990 384938753 /nfs/dbraw/zinc/93/87/53/384938753.db2.gz XKDRULYBWUUUNQ-UHFFFAOYSA-N 1 0 232.287 0.710 20 30 BCEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)CC#N ZINC000336073522 384940599 /nfs/dbraw/zinc/94/05/99/384940599.db2.gz LLMYFSZTXZXQKD-MNOVXSKESA-N 1 0 221.304 0.985 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000491465357 384942297 /nfs/dbraw/zinc/94/22/97/384942297.db2.gz WFYLCJSHRVSSPV-QWRGUYRKSA-N 1 0 238.331 0.529 20 30 BCEDRO CN(C)C(=[NH2+])NCCn1c2ccccc2[nH]c1=O ZINC000175672894 384942506 /nfs/dbraw/zinc/94/25/06/384942506.db2.gz RLARPBDVAJAEFB-UHFFFAOYSA-N 1 0 247.302 0.206 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000491465356 384943057 /nfs/dbraw/zinc/94/30/57/384943057.db2.gz WFYLCJSHRVSSPV-MNOVXSKESA-N 1 0 238.331 0.529 20 30 BCEDRO CC#CCC[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000156798134 384965526 /nfs/dbraw/zinc/96/55/26/384965526.db2.gz JIHVGQJLBRAJTJ-LBPRGKRZSA-N 1 0 239.315 0.646 20 30 BCEDRO COC[C@H](C[NH2+]Cc1ccc(C#N)o1)OC ZINC000227706334 384966877 /nfs/dbraw/zinc/96/68/77/384966877.db2.gz HEHKDNJHQIQKLO-NSHDSACASA-N 1 0 224.260 0.902 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]C1CCCC1 ZINC000564845515 384979601 /nfs/dbraw/zinc/97/96/01/384979601.db2.gz BQJYHTZDODOMDO-GFCCVEGCSA-N 1 0 225.336 0.725 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000557506297 384987928 /nfs/dbraw/zinc/98/79/28/384987928.db2.gz RNHWUDORLPQWQK-QWRGUYRKSA-N 1 0 226.320 0.601 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000557506295 384989835 /nfs/dbraw/zinc/98/98/35/384989835.db2.gz RNHWUDORLPQWQK-GHMZBOCLSA-N 1 0 226.320 0.601 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)nn1 ZINC000648148561 385002046 /nfs/dbraw/zinc/00/20/46/385002046.db2.gz OXDMHHMXAHAVMG-VHSXEESVSA-N 1 0 249.318 0.321 20 30 BCEDRO N#CCCOCC[NH+]1CCC(CC(N)=O)CC1 ZINC000338914318 384962637 /nfs/dbraw/zinc/96/26/37/384962637.db2.gz UFIBAWKLSINNEG-UHFFFAOYSA-N 1 0 239.319 0.504 20 30 BCEDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)NCC#N)C[C@@H]1C ZINC000408046261 385049532 /nfs/dbraw/zinc/04/95/32/385049532.db2.gz KKOSFBXFEHVMKT-WDEREUQCSA-N 1 0 238.335 0.041 20 30 BCEDRO CN(CC[NH+](C)C)c1cncc(C#N)n1 ZINC000401358843 385058113 /nfs/dbraw/zinc/05/81/13/385058113.db2.gz DJPOVXWSEFCCNV-UHFFFAOYSA-N 1 0 205.265 0.346 20 30 BCEDRO CN1CCOC[C@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000599002868 385084281 /nfs/dbraw/zinc/08/42/81/385084281.db2.gz CVALFUKYTJAQIP-CQSZACIVSA-N 1 0 245.326 0.978 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)o1 ZINC000599004546 385084854 /nfs/dbraw/zinc/08/48/54/385084854.db2.gz SSRCBRQOAJMOFW-ZKCHVHJHSA-N 1 0 219.244 0.505 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)O ZINC000245902780 385080625 /nfs/dbraw/zinc/08/06/25/385080625.db2.gz UIEQDWFIAUVOKS-VXGBXAGGSA-N 1 0 240.347 0.888 20 30 BCEDRO C[C@H]1CCC[N@H+](CCNC(=O)CC#N)C1 ZINC000130423828 385033385 /nfs/dbraw/zinc/03/33/85/385033385.db2.gz PINDQOQFHMLGBN-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](OC)C1CC1 ZINC000388266868 385041163 /nfs/dbraw/zinc/04/11/63/385041163.db2.gz FRJAMIBPCZVLKL-JBLDHEPKSA-N 1 0 238.331 0.527 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCC[C@@H]([NH2+]C)C1 ZINC000226717974 385044705 /nfs/dbraw/zinc/04/47/05/385044705.db2.gz GKWDCTGBFSNMSA-GHMZBOCLSA-N 1 0 225.336 0.361 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)n1cccn1 ZINC000294112790 533105960 /nfs/dbraw/zinc/10/59/60/533105960.db2.gz ZEEZWCMGJSHLBA-GFCCVEGCSA-N 1 0 248.330 0.515 20 30 BCEDRO CS(=O)(=O)NCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000336693553 385116787 /nfs/dbraw/zinc/11/67/87/385116787.db2.gz LGIWCDQZKZQHQB-UWVGGRQHSA-N 1 0 245.348 0.208 20 30 BCEDRO C=CCOc1ccc(C[NH2+]C[C@@H](O)CO)cc1 ZINC000004071762 385123453 /nfs/dbraw/zinc/12/34/53/385123453.db2.gz UQMZZOQNIYKHJY-GFCCVEGCSA-N 1 0 237.299 0.694 20 30 BCEDRO N#Cc1ccc(NC(=O)NC2C[NH2+]C2)cc1 ZINC000085256222 385086580 /nfs/dbraw/zinc/08/65/80/385086580.db2.gz VPFYSNDOYPHNPA-UHFFFAOYSA-N 1 0 216.244 0.652 20 30 BCEDRO CN1CCOC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000599003910 385087103 /nfs/dbraw/zinc/08/71/03/385087103.db2.gz MELDQOREHWAHPS-SNVBAGLBSA-N 1 0 235.287 0.571 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCCS1 ZINC000293874986 533104922 /nfs/dbraw/zinc/10/49/22/533104922.db2.gz CDDLWNKVRUFMPC-LLVKDONJSA-N 1 0 240.372 0.953 20 30 BCEDRO C=CCn1cc(C[NH2+]C[C@@H](O)CC)nn1 ZINC000644675524 385099135 /nfs/dbraw/zinc/09/91/35/385099135.db2.gz SOICAOHIVATSNC-JTQLQIEISA-N 1 0 210.281 0.325 20 30 BCEDRO C#CCNC(=O)CC[N@H+](C)CC[C@H]1CCCO1 ZINC000491202489 385100682 /nfs/dbraw/zinc/10/06/82/385100682.db2.gz OOFGMVDEDFNCLL-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647012241 385146036 /nfs/dbraw/zinc/14/60/36/385146036.db2.gz QSNMJRLAWIPOPV-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccncc1F ZINC000294095574 533106951 /nfs/dbraw/zinc/10/69/51/533106951.db2.gz XYTMSJMOALQCKA-UHFFFAOYSA-N 1 0 249.289 0.906 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000647034986 385170531 /nfs/dbraw/zinc/17/05/31/385170531.db2.gz NFALNYRTTMSSOZ-QWRGUYRKSA-N 1 0 244.310 0.738 20 30 BCEDRO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000427800558 385172676 /nfs/dbraw/zinc/17/26/76/385172676.db2.gz SPLQUKQVCXUUBY-BBBLOLIVSA-N 1 0 207.277 0.166 20 30 BCEDRO CO[C@H]1C[C@@H](C(=O)N(CC#N)C2CC2)N(C)C1 ZINC000408048725 385178259 /nfs/dbraw/zinc/17/82/59/385178259.db2.gz PDAQNOQFEXCLOU-QWRGUYRKSA-N 1 0 237.303 0.220 20 30 BCEDRO CC#CCN1Cc2ccccc2C[C@H]1C(N)=O ZINC000157430850 385178641 /nfs/dbraw/zinc/17/86/41/385178641.db2.gz SJYODXDMTWTKNS-ZDUSSCGKSA-N 1 0 228.295 0.922 20 30 BCEDRO C#CCN(C(=O)NC[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000491229942 385211064 /nfs/dbraw/zinc/21/10/64/385211064.db2.gz JYPWWGPZTWVDSL-LBPRGKRZSA-N 1 0 235.331 0.888 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H]([NH3+])CC ZINC000647069275 385216256 /nfs/dbraw/zinc/21/62/56/385216256.db2.gz FXIOHENBNHFVAP-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO CCN(C)C(=O)[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189599278 385219412 /nfs/dbraw/zinc/21/94/12/385219412.db2.gz ZLKGIDFCNSKMLY-JTQLQIEISA-N 1 0 248.330 0.853 20 30 BCEDRO Cn1cc(C[NH2+]C2(CO)CCC2)cc1C#N ZINC000189598567 385219915 /nfs/dbraw/zinc/21/99/15/385219915.db2.gz OPLOYMAYHOECGE-UHFFFAOYSA-N 1 0 219.288 0.901 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000157661121 385241283 /nfs/dbraw/zinc/24/12/83/385241283.db2.gz WYEDVUJGVGJOOT-QMMMGPOBSA-N 1 0 202.685 0.855 20 30 BCEDRO C=C(Cl)CNC(=O)C1CC[NH2+]CC1 ZINC000157658440 385241973 /nfs/dbraw/zinc/24/19/73/385241973.db2.gz BKVXXEUOHLWWRY-UHFFFAOYSA-N 1 0 202.685 0.855 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000647082877 385242399 /nfs/dbraw/zinc/24/23/99/385242399.db2.gz PVUOTGXPWFHFBG-WDEREUQCSA-N 1 0 226.320 0.823 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636099874 385308710 /nfs/dbraw/zinc/30/87/10/385308710.db2.gz GPROBXQLPRRHTG-NTZNESFSSA-N 1 0 238.331 0.666 20 30 BCEDRO C#C[C@H](CO)[NH2+]CC1(O)CCC(C)CC1 ZINC000491641712 385314793 /nfs/dbraw/zinc/31/47/93/385314793.db2.gz SLQACVXMBZIHIO-MOENNCHZSA-N 1 0 211.305 0.511 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1cnnn1C ZINC000308919098 385293030 /nfs/dbraw/zinc/29/30/30/385293030.db2.gz IEYUZWRJXKLHMT-SECBINFHSA-N 1 0 210.281 0.089 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000491304177 385329260 /nfs/dbraw/zinc/32/92/60/385329260.db2.gz DQKOQKHFFQTPIU-NXEZZACHSA-N 1 0 209.293 0.246 20 30 BCEDRO C[C@@H]1C[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C[C@H]1C(N)=O ZINC000407995936 385338853 /nfs/dbraw/zinc/33/88/53/385338853.db2.gz JPNBXZZWQRULSQ-GWOFURMSSA-N 1 0 221.304 0.732 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C)C[C@@H]32)C1=O ZINC000644733320 385342990 /nfs/dbraw/zinc/34/29/90/385342990.db2.gz NTUSYHSCRQZFAQ-AGIUHOORSA-N 1 0 249.358 0.409 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H]3CN(C)C[C@H]32)C1=O ZINC000644733326 385343474 /nfs/dbraw/zinc/34/34/74/385343474.db2.gz NTUSYHSCRQZFAQ-RWMBFGLXSA-N 1 0 249.358 0.409 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@@H]1C ZINC000247526070 385347418 /nfs/dbraw/zinc/34/74/18/385347418.db2.gz NVNDKRJUDJIVQA-VHSXEESVSA-N 1 0 239.319 0.871 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000247628054 385358800 /nfs/dbraw/zinc/35/88/00/385358800.db2.gz UMONGUFFBFQJTA-QWRGUYRKSA-N 1 0 239.319 0.023 20 30 BCEDRO CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309066457 385392649 /nfs/dbraw/zinc/39/26/49/385392649.db2.gz ZSDAMIXETNMPIE-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO CS(=O)(=O)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309080994 385401056 /nfs/dbraw/zinc/40/10/56/385401056.db2.gz PNLNAUUGUCNXID-UWVGGRQHSA-N 1 0 230.333 0.703 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C=Cc1c[nH]cn1 ZINC000492813679 385438961 /nfs/dbraw/zinc/43/89/61/385438961.db2.gz QGNJGYVIPIRCOH-UMCURTJPSA-N 1 0 235.287 0.724 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCC(=O)N(C)C ZINC000170910279 385454402 /nfs/dbraw/zinc/45/44/02/385454402.db2.gz KRBXOPIYWNPYNQ-UHFFFAOYSA-N 1 0 226.324 0.335 20 30 BCEDRO C#C[C@@H]1COCCN1CC[C@@H]1CCCO1 ZINC000491371130 385431079 /nfs/dbraw/zinc/43/10/79/385431079.db2.gz CSGVUDDKRZEXSS-NEPJUHHUSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000491671944 385433410 /nfs/dbraw/zinc/43/34/10/385433410.db2.gz OIDLOUUCCQVANQ-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(OCC#N)cc1 ZINC000171043159 385464912 /nfs/dbraw/zinc/46/49/12/385464912.db2.gz NKOYQGBCFMLAPR-UHFFFAOYSA-N 1 0 218.260 0.623 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCN1CC=C(C)CC1 ZINC000491677778 385467960 /nfs/dbraw/zinc/46/79/60/385467960.db2.gz ZSHJWUVKWFQVAA-UHFFFAOYSA-N 1 0 249.358 0.368 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000491373448 385479066 /nfs/dbraw/zinc/47/90/66/385479066.db2.gz MZGLVIUMZOCCNP-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO CCCN(CC#N)C[C@@H](O)Cn1cccn1 ZINC000171637918 385503757 /nfs/dbraw/zinc/50/37/57/385503757.db2.gz LETYLDIBYNNMDF-LLVKDONJSA-N 1 0 222.292 0.480 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@@](C)(CC)OC ZINC000319016042 385540243 /nfs/dbraw/zinc/54/02/43/385540243.db2.gz GZHUQNSHJZSRDW-LLVKDONJSA-N 1 0 214.309 0.693 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000299358123 533130966 /nfs/dbraw/zinc/13/09/66/533130966.db2.gz JIYTULGPZNRTOX-NSHDSACASA-N 1 0 225.336 0.991 20 30 BCEDRO CO[C@@H](C)[C@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000309443613 385584254 /nfs/dbraw/zinc/58/42/54/385584254.db2.gz JEDYVTMOGFCGHC-IUCAKERBSA-N 1 0 223.280 0.163 20 30 BCEDRO CC(C)[C@@H](C(=O)N1CC(CC#N)C1)[NH+](C)C ZINC000598030666 385592804 /nfs/dbraw/zinc/59/28/04/385592804.db2.gz GFLOHRJTQBITMZ-NSHDSACASA-N 1 0 223.320 0.945 20 30 BCEDRO C=CCOCCC[NH2+]C1(CO)CCOCC1 ZINC000309491517 385622864 /nfs/dbraw/zinc/62/28/64/385622864.db2.gz IUEHUMMCZYGOMK-UHFFFAOYSA-N 1 0 229.320 0.710 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000309499111 385625468 /nfs/dbraw/zinc/62/54/68/385625468.db2.gz UOHYUKRIICDGLW-SNVBAGLBSA-N 1 0 214.309 0.679 20 30 BCEDRO C[C@H](C[S@@](C)=O)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598724359 385629321 /nfs/dbraw/zinc/62/93/21/385629321.db2.gz OHTIMTOACUJXPL-KCWFYHRYSA-N 1 0 246.376 0.644 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCS(=O)(=O)C2)C1 ZINC000336681163 385637292 /nfs/dbraw/zinc/63/72/92/385637292.db2.gz ONTLOHBUUGPYFO-VWYCJHECSA-N 1 0 242.344 0.845 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644822386 385645382 /nfs/dbraw/zinc/64/53/82/385645382.db2.gz SFSYMLTTYIELAP-NWDGAFQWSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCOCC(=O)NC(CC)(CC)C[NH3+] ZINC000309516977 385649891 /nfs/dbraw/zinc/64/98/91/385649891.db2.gz YYAZQJSQJTXTKX-UHFFFAOYSA-N 1 0 214.309 0.823 20 30 BCEDRO C#CCNC(NCc1c(C)noc1C)=[NH+]CC ZINC000175473320 533142312 /nfs/dbraw/zinc/14/23/12/533142312.db2.gz MUCATPNTEZVFIX-UHFFFAOYSA-N 1 0 234.303 0.980 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309571445 385700479 /nfs/dbraw/zinc/70/04/79/385700479.db2.gz NSMMGWLTDIVQRA-MXWKQRLJSA-N 1 0 219.292 0.948 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000309571444 385701615 /nfs/dbraw/zinc/70/16/15/385701615.db2.gz NSMMGWLTDIVQRA-GMTAPVOTSA-N 1 0 219.292 0.948 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000309572494 385702993 /nfs/dbraw/zinc/70/29/93/385702993.db2.gz NMNZVHCQPSENBK-GXSJLCMTSA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000309572495 385703300 /nfs/dbraw/zinc/70/33/00/385703300.db2.gz NMNZVHCQPSENBK-KOLCDFICSA-N 1 0 221.304 0.794 20 30 BCEDRO C#CCNC(NC[C@@H]1CCC[C@@H]1O)=[NH+]CC ZINC000262796642 533142873 /nfs/dbraw/zinc/14/28/73/533142873.db2.gz PTFKRZKHMPSLNK-QWRGUYRKSA-N 1 0 223.320 0.336 20 30 BCEDRO C[NH+](C)C[C@@H]1CCCN1S(=O)(=O)CCC#N ZINC000408457635 385708093 /nfs/dbraw/zinc/70/80/93/385708093.db2.gz BWBPKEOXPQUGRP-JTQLQIEISA-N 1 0 245.348 0.256 20 30 BCEDRO C[NH+](C)C1(CNc2nccnc2C#N)CC1 ZINC000397793501 385710109 /nfs/dbraw/zinc/71/01/09/385710109.db2.gz APNWLWJASKMVRJ-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO N#CCCC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000184790441 385711062 /nfs/dbraw/zinc/71/10/62/385711062.db2.gz GGLRVEKXSOJYOD-VHSXEESVSA-N 1 0 209.293 0.924 20 30 BCEDRO C#CCNC(NC[C@@H]1CCCCO1)=[NH+]CC ZINC000262601389 533142152 /nfs/dbraw/zinc/14/21/52/533142152.db2.gz CWHZXTRJVAZFQM-NSHDSACASA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCNC(NC[C@@]1(C)CCCO1)=[NH+]CC ZINC000261695136 533142912 /nfs/dbraw/zinc/14/29/12/533142912.db2.gz FPGABOPTGMMIIR-GFCCVEGCSA-N 1 0 223.320 0.744 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(c2nccnc2C#N)C1 ZINC000264949546 385744666 /nfs/dbraw/zinc/74/46/66/385744666.db2.gz KUWIDXYKXWOGLP-SNVBAGLBSA-N 1 0 231.303 0.736 20 30 BCEDRO C#CCNC(NC[C@@](C)(O)c1ccco1)=[NH+]CC ZINC000262364901 533143337 /nfs/dbraw/zinc/14/33/37/533143337.db2.gz JCHCFRBRQJSNQV-CYBMUJFWSA-N 1 0 249.314 0.675 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CS(=O)(=O)CC ZINC000186698157 385782784 /nfs/dbraw/zinc/78/27/84/385782784.db2.gz ZDDFMDIDRMQNSB-ZJUUUORDSA-N 1 0 235.349 0.336 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCC(=O)NC2)C1 ZINC000309593647 385723239 /nfs/dbraw/zinc/72/32/39/385723239.db2.gz TUTVERQVUYAWLK-VWYCJHECSA-N 1 0 221.304 0.937 20 30 BCEDRO C#CCNC(=O)N(CC)CCC[NH+](C)C ZINC000188494403 385723781 /nfs/dbraw/zinc/72/37/81/385723781.db2.gz OGHOBELPDMFOKY-UHFFFAOYSA-N 1 0 211.309 0.603 20 30 BCEDRO CN(C(=O)CCC[NH3+])[C@@H]1CCC[C@H]1C#N ZINC000602597316 385810199 /nfs/dbraw/zinc/81/01/99/385810199.db2.gz AXDHFAOAJLXRNU-VHSXEESVSA-N 1 0 209.293 0.876 20 30 BCEDRO CCCCNC(=[NH2+])NCc1cc(C)nn1C ZINC000283816883 385834425 /nfs/dbraw/zinc/83/44/25/385834425.db2.gz CFNJLILPGQJUDH-UHFFFAOYSA-N 1 0 223.324 0.933 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc(C[NH2+]CC)nn1 ZINC000603233719 385846026 /nfs/dbraw/zinc/84/60/26/385846026.db2.gz KBCNEGLRZXJZPY-SECBINFHSA-N 1 0 224.264 0.288 20 30 BCEDRO N#Cc1cnc(NCC[NH+]2CCSCC2)cn1 ZINC000228850129 385847550 /nfs/dbraw/zinc/84/75/50/385847550.db2.gz KDWSVZWHSVXZRX-UHFFFAOYSA-N 1 0 249.343 0.809 20 30 BCEDRO C#CC[NH+]1CCC(Nc2nccc(OC)n2)CC1 ZINC000192867854 533150918 /nfs/dbraw/zinc/15/09/18/533150918.db2.gz DHZSMEFDCVSZTJ-UHFFFAOYSA-N 1 0 246.314 0.995 20 30 BCEDRO C#CC[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373397740 533150940 /nfs/dbraw/zinc/15/09/40/533150940.db2.gz CDWHSZKQESTXJM-UHFFFAOYSA-N 1 0 215.260 0.420 20 30 BCEDRO C[C@H]1C[C@@H](N(C)CC(=O)NCC#N)CC[N@@H+]1C ZINC000123470821 385885612 /nfs/dbraw/zinc/88/56/12/385885612.db2.gz NPQKSVCRUIPLDP-QWRGUYRKSA-N 1 0 238.335 0.041 20 30 BCEDRO C=C1CC[NH+](CCCS(=O)(=O)N(C)C)CC1 ZINC000341991509 385915890 /nfs/dbraw/zinc/91/58/90/385915890.db2.gz AFNCRTHMENJIHU-UHFFFAOYSA-N 1 0 246.376 0.920 20 30 BCEDRO CNC(=[NH2+])NCc1cc(C)nc(N2CCCC2)n1 ZINC000262689147 385875012 /nfs/dbraw/zinc/87/50/12/385875012.db2.gz FJVRUQARSKRLIZ-UHFFFAOYSA-N 1 0 248.334 0.419 20 30 BCEDRO C#CC[N@@H+]1CCCC[C@@H]1CN1CCOCC1 ZINC000369179503 533151665 /nfs/dbraw/zinc/15/16/65/533151665.db2.gz BPHCUNHRZHOLDY-CYBMUJFWSA-N 1 0 222.332 0.806 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCC(C)([NH3+])CC1 ZINC000647927111 385985604 /nfs/dbraw/zinc/98/56/04/385985604.db2.gz ZNMPPGGNTQICOF-SNVBAGLBSA-N 1 0 225.336 0.490 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N1CCCCC1 ZINC000451600217 385942738 /nfs/dbraw/zinc/94/27/38/385942738.db2.gz QVBAVLMZCBJNGP-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO COCC#CCN(C)C[C@H]1CCC[N@@H+]1C ZINC000643256151 386000804 /nfs/dbraw/zinc/00/08/04/386000804.db2.gz NGTFZTHHCPYSGA-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000304714374 533155917 /nfs/dbraw/zinc/15/59/17/533155917.db2.gz MRMCGYOLKJMPSA-OLZOCXBDSA-N 1 0 222.332 0.541 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000020035448 386016571 /nfs/dbraw/zinc/01/65/71/386016571.db2.gz FIPPUTHFJYNOSD-SNVBAGLBSA-N 1 0 217.272 0.977 20 30 BCEDRO CCC[N@H+](CC)CCNC(=O)[C@@H](C)C#N ZINC000222267055 386040906 /nfs/dbraw/zinc/04/09/06/386040906.db2.gz KORFTDACIWRDMJ-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO CC[C@H](C#N)NC(=O)CN1CC[NH+](CC)CC1 ZINC000345173567 386042426 /nfs/dbraw/zinc/04/24/26/386042426.db2.gz HPTBCPQDDQKKLZ-LLVKDONJSA-N 1 0 238.335 0.042 20 30 BCEDRO COc1cc(C[N@H+](C)CCO)ccc1C#N ZINC000234798538 386102172 /nfs/dbraw/zinc/10/21/72/386102172.db2.gz NOZDLSAOANNAOF-UHFFFAOYSA-N 1 0 220.272 0.991 20 30 BCEDRO C#CCN1CC[NH+]([C@@H]2CCSC2)CC1 ZINC000366064554 533157387 /nfs/dbraw/zinc/15/73/87/533157387.db2.gz BLAKSPHKJXGCMD-LLVKDONJSA-N 1 0 210.346 0.743 20 30 BCEDRO C=CCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000335073414 386065447 /nfs/dbraw/zinc/06/54/47/386065447.db2.gz MRQFTERTPNRURA-UHFFFAOYSA-N 1 0 209.293 0.662 20 30 BCEDRO C=CC[C@H](C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000162321030 386081306 /nfs/dbraw/zinc/08/13/06/386081306.db2.gz FHQVPMYTSLYOMN-DTWKUNHWSA-N 1 0 205.323 0.974 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@H](O)C(C)(C)C2)C1=O ZINC000334460942 386122717 /nfs/dbraw/zinc/12/27/17/386122717.db2.gz ODARBLUVMUVJHF-QWRGUYRKSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1cnn(C)c1 ZINC000336728963 386087449 /nfs/dbraw/zinc/08/74/49/386087449.db2.gz IPJMJBVHDXOXJT-JTQLQIEISA-N 1 0 209.293 0.694 20 30 BCEDRO CCNC(=O)C[NH2+]Cc1cc(C#N)cs1 ZINC000086500140 386162234 /nfs/dbraw/zinc/16/22/34/386162234.db2.gz LWIOADGILRKGRM-UHFFFAOYSA-N 1 0 223.301 0.845 20 30 BCEDRO C[NH+](C)CC(=O)N(CCC#N)Cc1ccccn1 ZINC000274932997 386165149 /nfs/dbraw/zinc/16/51/49/386165149.db2.gz DRAWATHQLAQWHI-UHFFFAOYSA-N 1 0 246.314 0.885 20 30 BCEDRO C[C@H](Cn1c(N)nc(C#N)c1C#N)[NH+](C)C ZINC000309392014 386203299 /nfs/dbraw/zinc/20/32/99/386203299.db2.gz TXLYWWMUALEIOV-SSDOTTSWSA-N 1 0 218.264 0.159 20 30 BCEDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1nccnc1C#N ZINC000129543217 386211670 /nfs/dbraw/zinc/21/16/70/386211670.db2.gz HIZFULXFYPICBD-IUCAKERBSA-N 1 0 217.276 0.901 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(OC)CC1 ZINC000293594640 533161898 /nfs/dbraw/zinc/16/18/98/533161898.db2.gz UTXMAKVDEWHIQM-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000347076498 386218937 /nfs/dbraw/zinc/21/89/37/386218937.db2.gz SVNDKIQDAOWVHD-PSASIEDQSA-N 1 0 209.293 0.602 20 30 BCEDRO COCC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC000347037731 386225666 /nfs/dbraw/zinc/22/56/66/386225666.db2.gz OAZGHCMXVYZCER-JTQLQIEISA-N 1 0 239.319 0.373 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C[C@H](C)OC ZINC000293635755 533162685 /nfs/dbraw/zinc/16/26/85/533162685.db2.gz RJWZEXGGJRZRJW-JTQLQIEISA-N 1 0 212.293 0.093 20 30 BCEDRO CCCC[N@H+](C)CCNS(=O)(=O)[C@H](C)C#N ZINC000416387066 386308160 /nfs/dbraw/zinc/30/81/60/386308160.db2.gz IXXOKHBVOBAOBA-SNVBAGLBSA-N 1 0 247.364 0.550 20 30 BCEDRO Cc1cc(NCCCC[NH3+])c(C#N)cn1 ZINC000398987364 386321954 /nfs/dbraw/zinc/32/19/54/386321954.db2.gz IELZOKLHALYCSP-UHFFFAOYSA-N 1 0 204.277 0.834 20 30 BCEDRO C=CCCC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000416300233 386264816 /nfs/dbraw/zinc/26/48/16/386264816.db2.gz SYWAOYGOUZIMGC-NWDGAFQWSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCCC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000416300232 386264856 /nfs/dbraw/zinc/26/48/56/386264856.db2.gz SYWAOYGOUZIMGC-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(CC)C[NH2+]Cc1cnc(N)nc1N ZINC000639238607 386354108 /nfs/dbraw/zinc/35/41/08/386354108.db2.gz BSSZWQBQZVRVCZ-UHFFFAOYSA-N 1 0 207.281 0.358 20 30 BCEDRO O=C(NCC#Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000416939810 386425700 /nfs/dbraw/zinc/42/57/00/386425700.db2.gz DJANXZUWVPYBJR-ZDUSSCGKSA-N 1 0 243.310 0.699 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)NCC#Cc1ccccc1 ZINC000416944391 386427583 /nfs/dbraw/zinc/42/75/83/386427583.db2.gz LONSDYGLMRMOIJ-GFCCVEGCSA-N 1 0 245.326 0.932 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@]1(C)C[C@@H]1F ZINC000399266897 386472080 /nfs/dbraw/zinc/47/20/80/386472080.db2.gz FSDGTLZDOSMSGB-JQWIXIFHSA-N 1 0 226.295 0.806 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@]1(C)C[C@H]1F ZINC000399266900 386474041 /nfs/dbraw/zinc/47/40/41/386474041.db2.gz FSDGTLZDOSMSGB-PWSUYJOCSA-N 1 0 226.295 0.806 20 30 BCEDRO C=CCSCCNC(=O)NC(C)(C)C[NH3+] ZINC000417343047 386485543 /nfs/dbraw/zinc/48/55/43/386485543.db2.gz NRYGYKZMZPMJBR-UHFFFAOYSA-N 1 0 231.365 0.942 20 30 BCEDRO C=CCSCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417347789 386486760 /nfs/dbraw/zinc/48/67/60/386486760.db2.gz WUFISMAKPIPQHR-MYJAWHEDSA-N 1 0 241.360 0.423 20 30 BCEDRO C=CCSCCNC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000417347343 386486989 /nfs/dbraw/zinc/48/69/89/386486989.db2.gz VWGHHFLEPJCOCZ-NXEZZACHSA-N 1 0 243.376 0.894 20 30 BCEDRO C[C@@H](CCC#N)[N@H+](C)CCOCCO ZINC000519613204 386511572 /nfs/dbraw/zinc/51/15/72/386511572.db2.gz WWTVDUVPFBTPPP-JTQLQIEISA-N 1 0 200.282 0.619 20 30 BCEDRO C=C(C)CCN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000335453682 386528007 /nfs/dbraw/zinc/52/80/07/386528007.db2.gz DLNHSTKQNUMMPX-LBPRGKRZSA-N 1 0 237.303 0.627 20 30 BCEDRO C=CCN1C(=O)N[C@@]2(CCCC[C@@H]2C[NH3+])C1=O ZINC000335454364 386528165 /nfs/dbraw/zinc/52/81/65/386528165.db2.gz GVRIYFMRDZWHQQ-BXKDBHETSA-N 1 0 237.303 0.612 20 30 BCEDRO C=CCCOCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417921675 386462904 /nfs/dbraw/zinc/46/29/04/386462904.db2.gz BHUSENGFOOMANN-JTQLQIEISA-N 1 0 227.308 0.240 20 30 BCEDRO C[N@@H+]1CCN(CCNC(=O)CC#N)CC1(C)C ZINC000408430040 386583841 /nfs/dbraw/zinc/58/38/41/386583841.db2.gz ORNGEUGTYBUINT-UHFFFAOYSA-N 1 0 238.335 0.042 20 30 BCEDRO N#CCCC1CCN(C(=O)[C@H]2C[C@H]2[NH3+])CC1 ZINC000335416866 386584675 /nfs/dbraw/zinc/58/46/75/386584675.db2.gz HYGMEVQIWZAYLZ-WDEREUQCSA-N 1 0 221.304 0.876 20 30 BCEDRO CC#CC[N@H+](C)CCN1CCO[C@H](C)C1 ZINC000339759237 386593365 /nfs/dbraw/zinc/59/33/65/386593365.db2.gz XXCGMYJDRIWRGR-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C=CCCCCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000193322858 386545769 /nfs/dbraw/zinc/54/57/69/386545769.db2.gz DJUWEZDXQLHWEY-NSHDSACASA-N 1 0 226.320 0.919 20 30 BCEDRO C=C1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000519825245 386562211 /nfs/dbraw/zinc/56/22/11/386562211.db2.gz AFACTNNMKVFCND-VIFPVBQESA-N 1 0 226.276 0.055 20 30 BCEDRO C=CCN1CC[C@H](N[C@](C)(C[NH3+])C2CC2)C1=O ZINC000519827874 386565752 /nfs/dbraw/zinc/56/57/52/386565752.db2.gz VFVOWUCYDPJAOH-WCQYABFASA-N 1 0 237.347 0.490 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(CC)C1 ZINC000425923604 386635655 /nfs/dbraw/zinc/63/56/55/386635655.db2.gz SLANZNVXBMDPNO-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000428104751 386641123 /nfs/dbraw/zinc/64/11/23/386641123.db2.gz XXZRZUHWAAYZQR-LLVKDONJSA-N 1 0 223.320 0.069 20 30 BCEDRO C=C(C)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000428104755 386641268 /nfs/dbraw/zinc/64/12/68/386641268.db2.gz XXZRZUHWAAYZQR-NSHDSACASA-N 1 0 223.320 0.069 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000293101610 386650369 /nfs/dbraw/zinc/65/03/69/386650369.db2.gz XVCFPWAFYQJUNE-LBPRGKRZSA-N 1 0 234.303 0.431 20 30 BCEDRO CC[NH+](CC)CCNC(=O)c1ccc(C#N)[nH]1 ZINC000129711179 386650526 /nfs/dbraw/zinc/65/05/26/386650526.db2.gz YUSOGRNKOXGHAN-UHFFFAOYSA-N 1 0 234.303 0.958 20 30 BCEDRO C=C(C)COCCNC(=O)N(C)CCC[NH3+] ZINC000520203918 386601670 /nfs/dbraw/zinc/60/16/70/386601670.db2.gz RDQRAWBWUGCOBB-UHFFFAOYSA-N 1 0 229.324 0.569 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425550819 386604872 /nfs/dbraw/zinc/60/48/72/386604872.db2.gz PKKNCEGQDDMRTQ-MNOVXSKESA-N 1 0 236.319 0.921 20 30 BCEDRO O=C(NCC[NH+]1CCC1)NC[C@H]1CCCOC1 ZINC000328659597 386605260 /nfs/dbraw/zinc/60/52/60/386605260.db2.gz TVJQHAKGFGNYNE-LLVKDONJSA-N 1 0 241.335 0.622 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000278969044 386612595 /nfs/dbraw/zinc/61/25/95/386612595.db2.gz XKEVPLZZLPANDC-PWSUYJOCSA-N 1 0 228.336 0.770 20 30 BCEDRO C[C@@H](O)C[N@H+](CCCCC#N)[C@@H](C)CO ZINC000190813932 386668527 /nfs/dbraw/zinc/66/85/27/386668527.db2.gz OUEICUKSMSYEPH-WDEREUQCSA-N 1 0 214.309 0.744 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@@H]1CCN(CC=C)C1=O ZINC000294010997 386674609 /nfs/dbraw/zinc/67/46/09/386674609.db2.gz GRZPCXWZTUIYHU-GFCCVEGCSA-N 1 0 238.331 0.908 20 30 BCEDRO Cn1cc(C[NH2+]CC(=O)NC2CC2)cc1C#N ZINC000232314085 386678976 /nfs/dbraw/zinc/67/89/76/386678976.db2.gz BYUQJSIXNFRSTK-UHFFFAOYSA-N 1 0 232.287 0.265 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000124570449 386657804 /nfs/dbraw/zinc/65/78/04/386657804.db2.gz BWNIBOXNSCAFQF-MNOVXSKESA-N 1 0 246.376 0.999 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[NH2+]C[C@H]1C ZINC000124635950 386658707 /nfs/dbraw/zinc/65/87/07/386658707.db2.gz ODYNZMFINWBVSP-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO CCNC(=O)NC[C@H](O)C[NH+]1CCC(C)CC1 ZINC000330417136 386709750 /nfs/dbraw/zinc/70/97/50/386709750.db2.gz OWCXEUSKGHBHKC-NSHDSACASA-N 1 0 243.351 0.603 20 30 BCEDRO C#CCOc1ccc(CNC(=O)C[NH+](C)C)cc1 ZINC000296919493 533185618 /nfs/dbraw/zinc/18/56/18/533185618.db2.gz IAWYZFADLLDYKP-UHFFFAOYSA-N 1 0 246.310 0.876 20 30 BCEDRO CN(C)C(=O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185885002 386735648 /nfs/dbraw/zinc/73/56/48/386735648.db2.gz CPVFBQFBWQRUHV-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO CCn1nncc1C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000330457451 386718893 /nfs/dbraw/zinc/71/88/93/386718893.db2.gz QFLLKYZFQBWHED-SECBINFHSA-N 1 0 237.307 0.554 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330459912 386720194 /nfs/dbraw/zinc/72/01/94/386720194.db2.gz USRNQHNBYCELEG-JTQLQIEISA-N 1 0 227.308 0.397 20 30 BCEDRO CC[N@H+](C)CCNC(=O)N[C@@H](C)c1cn[nH]c1 ZINC000330463660 386721079 /nfs/dbraw/zinc/72/10/79/386721079.db2.gz CUVPSKGJPQFLDN-VIFPVBQESA-N 1 0 239.323 0.926 20 30 BCEDRO C#C[C@H](C)NC(=O)NC1CC[NH+](CC=C)CC1 ZINC000186123591 386729515 /nfs/dbraw/zinc/72/95/15/386729515.db2.gz ROOKQRSQAXIYPC-NSHDSACASA-N 1 0 235.331 0.958 20 30 BCEDRO N#CCCCC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330512984 386745641 /nfs/dbraw/zinc/74/56/41/386745641.db2.gz GHQFXXMTEIGKJD-VIFPVBQESA-N 1 0 210.281 0.837 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000645150442 386756390 /nfs/dbraw/zinc/75/63/90/386756390.db2.gz DTTNRMSWODTRKR-SNVBAGLBSA-N 1 0 212.293 0.386 20 30 BCEDRO C=CCCOCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000417955109 386761676 /nfs/dbraw/zinc/76/16/76/386761676.db2.gz GQQUHCBJAVURFE-UHFFFAOYSA-N 1 0 241.335 0.710 20 30 BCEDRO C=CCCOCCNC(=O)NCCC[NH3+] ZINC000417955896 386762785 /nfs/dbraw/zinc/76/27/85/386762785.db2.gz HORHNYGNRMYOQO-UHFFFAOYSA-N 1 0 215.297 0.227 20 30 BCEDRO C[C@H](C[NH+]1CCOCC1)C(=O)N(C)CCC#N ZINC000330566860 386789516 /nfs/dbraw/zinc/78/95/16/386789516.db2.gz LCYZENKHQNXAFT-LLVKDONJSA-N 1 0 239.319 0.327 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000336672753 386822084 /nfs/dbraw/zinc/82/20/84/386822084.db2.gz JBADETRSKDTEPZ-MNOVXSKESA-N 1 0 221.304 0.794 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395364303 386823134 /nfs/dbraw/zinc/82/31/34/386823134.db2.gz MQQJCUDYNBTNKC-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@@H](CNC(=O)N[C@@H]1CCC[C@@H]1C#N)[NH+](C)C ZINC000458644404 386803313 /nfs/dbraw/zinc/80/33/13/386803313.db2.gz JBAJPKDKVNBWAA-HBNTYKKESA-N 1 0 238.335 0.928 20 30 BCEDRO C[C@@H]1CCN(C(=O)NCCCC#N)C[C@@H]1C[NH3+] ZINC000417995238 386803328 /nfs/dbraw/zinc/80/33/28/386803328.db2.gz CVYFDFIMBNNWRW-MNOVXSKESA-N 1 0 238.335 0.916 20 30 BCEDRO C[C@@H](CNC(=O)N[C@H]1CCC[C@@H]1C#N)[NH+](C)C ZINC000458644401 386803367 /nfs/dbraw/zinc/80/33/67/386803367.db2.gz JBAJPKDKVNBWAA-AXFHLTTASA-N 1 0 238.335 0.928 20 30 BCEDRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCCCO)C1 ZINC000330596354 386805670 /nfs/dbraw/zinc/80/56/70/386805670.db2.gz CGZPZISCLRMRPX-VHSXEESVSA-N 1 0 229.324 0.355 20 30 BCEDRO C[C@]1(CCCO)CCC[N@@H+]1CC(=O)NCC#N ZINC000330593057 386806172 /nfs/dbraw/zinc/80/61/72/386806172.db2.gz AFZWICURHFJFNS-GFCCVEGCSA-N 1 0 239.319 0.253 20 30 BCEDRO CC[C@H](CO)NC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000330638826 386808108 /nfs/dbraw/zinc/80/81/08/386808108.db2.gz AOTNSIFNNSDMFY-GMTAPVOTSA-N 1 0 243.351 0.744 20 30 BCEDRO CCCN(CC#N)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336672389 386824431 /nfs/dbraw/zinc/82/44/31/386824431.db2.gz SKKRGVJADLNPBC-LBPRGKRZSA-N 1 0 225.336 0.677 20 30 BCEDRO C[N@H+](CC(=O)NCC#N)C1Cc2ccccc2C1 ZINC000330644665 386811263 /nfs/dbraw/zinc/81/12/63/386811263.db2.gz DULFOLAGOIDDSP-UHFFFAOYSA-N 1 0 243.310 0.725 20 30 BCEDRO N#CCCCC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000330656735 386814777 /nfs/dbraw/zinc/81/47/77/386814777.db2.gz QUDFGDYZJHBSPU-JTQLQIEISA-N 1 0 245.348 0.433 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@]2(O)CCOC2)C1 ZINC000193050201 386825370 /nfs/dbraw/zinc/82/53/70/386825370.db2.gz NVDREEBJXMAKRP-IJLUTSLNSA-N 1 0 224.304 0.810 20 30 BCEDRO COC(=O)CC[N@@H+]1CCN(CCC#N)[C@H](C)C1 ZINC000330696936 386834699 /nfs/dbraw/zinc/83/46/99/386834699.db2.gz DWFLSQPTOCXPDN-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO CC(C)[C@H]([NH3+])CNC(=O)NCC(C)(C)C#N ZINC000418002966 386838106 /nfs/dbraw/zinc/83/81/06/386838106.db2.gz YDNNPPLCQILCOS-SECBINFHSA-N 1 0 226.324 0.819 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@H](C)C[NH2+]C ZINC000417880520 386838725 /nfs/dbraw/zinc/83/87/25/386838725.db2.gz CQABTMUNUNNMSV-LLVKDONJSA-N 1 0 243.351 0.734 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@@H](C)C[NH2+]C ZINC000417880521 386838835 /nfs/dbraw/zinc/83/88/35/386838835.db2.gz CQABTMUNUNNMSV-NSHDSACASA-N 1 0 243.351 0.734 20 30 BCEDRO C=C(C)COCCNC(=O)NCC[NH2+]CCC ZINC000417879246 386840333 /nfs/dbraw/zinc/84/03/33/386840333.db2.gz BGRNTDPVDSQZAO-UHFFFAOYSA-N 1 0 243.351 0.878 20 30 BCEDRO Cc1ocnc1CNC(=O)N(C)CC[NH+](C)C ZINC000330707783 386860103 /nfs/dbraw/zinc/86/01/03/386860103.db2.gz QBMRTROPMJZABP-UHFFFAOYSA-N 1 0 240.307 0.890 20 30 BCEDRO C=C(C)CN1CCN(C(=O)C[NH+](C)C)CC1 ZINC000051761826 386870190 /nfs/dbraw/zinc/87/01/90/386870190.db2.gz AJTWOMMKFDCNPW-UHFFFAOYSA-N 1 0 225.336 0.268 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](CO)C1 ZINC000051886737 386870998 /nfs/dbraw/zinc/87/09/98/386870998.db2.gz IAMCIHPDGVVRQX-GFCCVEGCSA-N 1 0 238.331 0.501 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@@H](C)O ZINC000051821439 386871113 /nfs/dbraw/zinc/87/11/13/386871113.db2.gz UKCBIORPZPVQEQ-LLVKDONJSA-N 1 0 226.320 0.500 20 30 BCEDRO CC(C)C[C@H](C[NH3+])NC(=O)NCCCC#N ZINC000418009530 386885300 /nfs/dbraw/zinc/88/53/00/386885300.db2.gz UVUVOPLKBXDXQK-SNVBAGLBSA-N 1 0 226.324 0.963 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000335769825 386916366 /nfs/dbraw/zinc/91/63/66/386916366.db2.gz SGBFRNYIMWWJPQ-MNOVXSKESA-N 1 0 244.360 0.576 20 30 BCEDRO C=CCOCC[N@H+]1CCCN(C(N)=O)CC1 ZINC000331890534 386922269 /nfs/dbraw/zinc/92/22/69/386922269.db2.gz PKPZDTJITSZSHD-UHFFFAOYSA-N 1 0 227.308 0.275 20 30 BCEDRO CC#CCC[NH2+]Cc1ccnc(OC)n1 ZINC000395146001 386945510 /nfs/dbraw/zinc/94/55/10/386945510.db2.gz BIKFRUQTWNLOQZ-UHFFFAOYSA-N 1 0 205.261 0.988 20 30 BCEDRO C=C[C@@H](CO)NC(=O)CC[N@H+]1CCCC[C@H]1C ZINC000331142176 386973792 /nfs/dbraw/zinc/97/37/92/386973792.db2.gz KXZMYBDYJBTXDB-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CC[C@H]1SC ZINC000425359254 386977549 /nfs/dbraw/zinc/97/75/49/386977549.db2.gz RQVDEWZNVQBERT-DTWKUNHWSA-N 1 0 214.334 0.772 20 30 BCEDRO C=C(C)COCCNC(=O)NCC1([NH3+])CCC1 ZINC000417895921 387006401 /nfs/dbraw/zinc/00/64/01/387006401.db2.gz VOSZUTWHCAJLEO-UHFFFAOYSA-N 1 0 241.335 0.760 20 30 BCEDRO C#CC[C@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369819707 533208032 /nfs/dbraw/zinc/20/80/32/533208032.db2.gz PUQUOIXZRGYKJM-NWDGAFQWSA-N 1 0 235.331 0.888 20 30 BCEDRO C=CCN(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000334954318 387031936 /nfs/dbraw/zinc/03/19/36/387031936.db2.gz ZVUREBQFBCPIRJ-ZJUUUORDSA-N 1 0 211.309 0.812 20 30 BCEDRO CC#CCCNC(=O)NC1CCC([NH3+])CC1 ZINC000418036411 387062107 /nfs/dbraw/zinc/06/21/07/387062107.db2.gz WABJERJLDFTKSL-UHFFFAOYSA-N 1 0 223.320 0.969 20 30 BCEDRO CC#CCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000418036885 387064215 /nfs/dbraw/zinc/06/42/15/387064215.db2.gz WSUUXZHSXZKUKP-NSHDSACASA-N 1 0 223.320 0.923 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000418038308 387065081 /nfs/dbraw/zinc/06/50/81/387065081.db2.gz YJIHVHZOGOZBPY-VIFPVBQESA-N 1 0 245.273 0.696 20 30 BCEDRO C=CCCCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418022793 387016689 /nfs/dbraw/zinc/01/66/89/387016689.db2.gz BEHDLZOMZSANNL-URLYPYJESA-N 1 0 223.320 0.860 20 30 BCEDRO N#Cc1cccc(C[N@@H+](CCO)CCCO)c1 ZINC000264635443 387019599 /nfs/dbraw/zinc/01/95/99/387019599.db2.gz SUMUYJWMHJVOEY-UHFFFAOYSA-N 1 0 234.299 0.735 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000418024216 387023444 /nfs/dbraw/zinc/02/34/44/387023444.db2.gz DCBWLKASOPOWDI-WDEREUQCSA-N 1 0 223.320 0.779 20 30 BCEDRO C=CCCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418096874 387103483 /nfs/dbraw/zinc/10/34/83/387103483.db2.gz JLYIUMHPAGGMEA-SNVBAGLBSA-N 1 0 211.309 0.989 20 30 BCEDRO C[C@@H](CCC#N)[N@H+](C)CCNC(=O)N(C)C ZINC000571885565 387193910 /nfs/dbraw/zinc/19/39/10/387193910.db2.gz RPUAZZHETQDZND-JTQLQIEISA-N 1 0 226.324 0.882 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cnc(C#N)cn1 ZINC000292782646 387140615 /nfs/dbraw/zinc/14/06/15/387140615.db2.gz LYFFVJLIVUHHKP-UHFFFAOYSA-N 1 0 229.287 0.715 20 30 BCEDRO CC(C)(C#N)CCCCn1nnnc1C[NH3+] ZINC000572032372 387224178 /nfs/dbraw/zinc/22/41/78/387224178.db2.gz LCJCNUMNUKJMGN-UHFFFAOYSA-N 1 0 222.296 0.852 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000572039299 387225493 /nfs/dbraw/zinc/22/54/93/387225493.db2.gz PIOOQRGJCJPBTQ-NWDGAFQWSA-N 1 0 239.319 0.018 20 30 BCEDRO CNS(=O)(=O)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193330460 387200760 /nfs/dbraw/zinc/20/07/60/387200760.db2.gz LHNKJHDSOVWDPI-UWVGGRQHSA-N 1 0 245.348 0.208 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)CC1(CC#N)CC1 ZINC000389713741 387290540 /nfs/dbraw/zinc/29/05/40/387290540.db2.gz NBYPXBPWAXTNGV-SNVBAGLBSA-N 1 0 212.293 0.355 20 30 BCEDRO C#CCC[NH2+][C@@H](C(N)=O)c1ccc(F)cc1 ZINC000264999390 387300176 /nfs/dbraw/zinc/30/01/76/387300176.db2.gz ZFGGMONREQWTRU-LLVKDONJSA-N 1 0 220.247 0.965 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000353985039 387306302 /nfs/dbraw/zinc/30/63/02/387306302.db2.gz XWZGVZGBHHDGPI-GWCFXTLKSA-N 1 0 240.347 0.912 20 30 BCEDRO CC#CCN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000515307884 387361953 /nfs/dbraw/zinc/36/19/53/387361953.db2.gz AEQNZWAQVFLOAO-UHFFFAOYSA-N 1 0 224.348 0.835 20 30 BCEDRO CC#CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000515356198 387369840 /nfs/dbraw/zinc/36/98/40/387369840.db2.gz TUGYOHJVPHTYCP-UHFFFAOYSA-N 1 0 234.303 0.198 20 30 BCEDRO N#Cc1ccccc1C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347320904 387330407 /nfs/dbraw/zinc/33/04/07/387330407.db2.gz UHZDHTYZMXSBFB-KBPBESRZSA-N 1 0 246.310 0.876 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](C)C(C)C ZINC000354136133 387335015 /nfs/dbraw/zinc/33/50/15/387335015.db2.gz GNZZEBQFKITRGM-GFCCVEGCSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000273275529 387456696 /nfs/dbraw/zinc/45/66/96/387456696.db2.gz KGNQUJXGKXGWBV-QWRGUYRKSA-N 1 0 241.335 0.317 20 30 BCEDRO C[C@H](O)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191478815 387457978 /nfs/dbraw/zinc/45/79/78/387457978.db2.gz VDLQYPHZPUDBLB-VIFPVBQESA-N 1 0 207.277 0.709 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)/C=C/C[NH+](C)C ZINC000273555529 387459549 /nfs/dbraw/zinc/45/95/49/387459549.db2.gz GVPYPXLWNJBYMQ-STUBTGCMSA-N 1 0 212.293 0.157 20 30 BCEDRO C[C@H]1CN(C(=O)NCC2(C#N)CC2)[C@@H](C)C[NH2+]1 ZINC000515460764 387385779 /nfs/dbraw/zinc/38/57/79/387385779.db2.gz GCFJFTVKMGGRPB-UWVGGRQHSA-N 1 0 236.319 0.682 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCC(=O)NC(=O)NC ZINC000515497247 387389935 /nfs/dbraw/zinc/38/99/35/387389935.db2.gz VOUFGRCDRMGCIT-MRVPVSSYSA-N 1 0 226.280 0.114 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000417964473 387393574 /nfs/dbraw/zinc/39/35/74/387393574.db2.gz QHRDWTPAZOJOLH-NSHDSACASA-N 1 0 241.335 0.616 20 30 BCEDRO Cn1cc(C[N@@H+]2CC[C@@](C)(O)C2)cc1C#N ZINC000191430536 387398630 /nfs/dbraw/zinc/39/86/30/387398630.db2.gz WQPYZJXTKGLOEV-GFCCVEGCSA-N 1 0 219.288 0.853 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N[C@@H](C#N)C2CC2)C1 ZINC000515667562 387415582 /nfs/dbraw/zinc/41/55/82/387415582.db2.gz NEEYQCMAWALSGT-ONGXEEELSA-N 1 0 221.304 0.747 20 30 BCEDRO C#CCNC(=O)[C@@H]1C[NH2+]Cc2ccccc21 ZINC000083643637 387417439 /nfs/dbraw/zinc/41/74/39/387417439.db2.gz NYZSPDLNRYBGFO-GFCCVEGCSA-N 1 0 214.268 0.623 20 30 BCEDRO C=CCOCCCC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274848745 387494273 /nfs/dbraw/zinc/49/42/73/387494273.db2.gz XYEWYPQRCDZRRG-LLVKDONJSA-N 1 0 242.319 0.155 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361572245 387500166 /nfs/dbraw/zinc/50/01/66/387500166.db2.gz RGVWHYBMEXNGMK-LBPRGKRZSA-N 1 0 226.320 0.776 20 30 BCEDRO Cn1cc(C[NH2+]C[C@H]2CC[C@@H](CO)O2)cc1C#N ZINC000292859528 387504625 /nfs/dbraw/zinc/50/46/25/387504625.db2.gz ZZDOSUREEDPMKX-OLZOCXBDSA-N 1 0 249.314 0.526 20 30 BCEDRO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)CO1 ZINC000424099278 387520114 /nfs/dbraw/zinc/52/01/14/387520114.db2.gz VBMQSPRHZKHMRD-HBNTYKKESA-N 1 0 239.319 0.643 20 30 BCEDRO C[C@@H](Nc1ccnc(C#N)n1)C1=CC[N@H+](C)CC1 ZINC000576887107 387521429 /nfs/dbraw/zinc/52/14/29/387521429.db2.gz DEVDYZVSYSQLGN-SNVBAGLBSA-N 1 0 243.314 0.832 20 30 BCEDRO C=CCOc1cccc(C[NH2+]C[C@H](O)CO)c1 ZINC000276838190 387526261 /nfs/dbraw/zinc/52/62/61/387526261.db2.gz YIGTXNODSMNHSD-LBPRGKRZSA-N 1 0 237.299 0.694 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@H]([NH3+])CC ZINC000417968332 387528227 /nfs/dbraw/zinc/52/82/27/387528227.db2.gz WUYGDEYQCLTERS-SNVBAGLBSA-N 1 0 229.324 0.616 20 30 BCEDRO C=CCCOCCNC(=O)N1CCC[NH2+]CC1 ZINC000417968681 387528281 /nfs/dbraw/zinc/52/82/81/387528281.db2.gz XXQMPKBCOMOSBN-UHFFFAOYSA-N 1 0 241.335 0.584 20 30 BCEDRO COC[C@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424108435 387529471 /nfs/dbraw/zinc/52/94/71/387529471.db2.gz QQMQRYIBATUYST-ZJUUUORDSA-N 1 0 227.308 0.406 20 30 BCEDRO C=CCC(CC=C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000423996905 387464700 /nfs/dbraw/zinc/46/47/00/387464700.db2.gz XQXXJLQYMFEJLA-LBPRGKRZSA-N 1 0 238.331 0.859 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@@H]2CCC[NH2+]C2)nn1 ZINC000424056877 387471715 /nfs/dbraw/zinc/47/17/15/387471715.db2.gz IPHZPDUFVQZFMJ-SNVBAGLBSA-N 1 0 249.318 0.336 20 30 BCEDRO C=CCCn1cc(C(=O)N2CC[C@H]([NH3+])C2)nn1 ZINC000424055015 387471738 /nfs/dbraw/zinc/47/17/38/387471738.db2.gz CZACDJZIERVWLU-VIFPVBQESA-N 1 0 235.291 0.027 20 30 BCEDRO COC(=O)C[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424056910 387471759 /nfs/dbraw/zinc/47/17/59/387471759.db2.gz AGUHLKYKMSOGAB-IUCAKERBSA-N 1 0 241.291 0.075 20 30 BCEDRO C=CCCn1cc(C(=O)N2CC[C@@H]([NH3+])C2)nn1 ZINC000424055014 387472472 /nfs/dbraw/zinc/47/24/72/387472472.db2.gz CZACDJZIERVWLU-SECBINFHSA-N 1 0 235.291 0.027 20 30 BCEDRO C[N@H+](CCNC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC000269738151 387473222 /nfs/dbraw/zinc/47/32/22/387473222.db2.gz YXNUKMYBQMHODT-UHFFFAOYSA-N 1 0 232.287 0.710 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC(C)(C)C[NH3+] ZINC000424075285 387478103 /nfs/dbraw/zinc/47/81/03/387478103.db2.gz JEGMASGNGROPSJ-ZJUUUORDSA-N 1 0 226.320 0.821 20 30 BCEDRO C=CCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000424075047 387478599 /nfs/dbraw/zinc/47/85/99/387478599.db2.gz ILNSSQAGCJUZGY-VIFPVBQESA-N 1 0 235.291 0.118 20 30 BCEDRO CC[C@H](NC(=O)[C@H]([NH3+])CCCC#N)C(=O)OC ZINC000424077285 387481126 /nfs/dbraw/zinc/48/11/26/387481126.db2.gz BFSDUZRKWIQKAW-BDAKNGLRSA-N 1 0 241.291 0.075 20 30 BCEDRO CC[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC000424080118 387481284 /nfs/dbraw/zinc/48/12/84/387481284.db2.gz HWALOKSQNNTCKP-GHMZBOCLSA-N 1 0 239.319 0.645 20 30 BCEDRO CC#CCC[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000361562165 387493124 /nfs/dbraw/zinc/49/31/24/387493124.db2.gz HYVBSLUTBFXCDJ-NWDGAFQWSA-N 1 0 211.305 0.872 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[N@@H+](C)C[C@H]2C)n1 ZINC000300548657 387619247 /nfs/dbraw/zinc/61/92/47/387619247.db2.gz NPMUGYSQOJYNSF-SNVBAGLBSA-N 1 0 231.303 0.797 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000426206408 387548207 /nfs/dbraw/zinc/54/82/07/387548207.db2.gz ZVLOPCOIDIUVMC-IJLUTSLNSA-N 1 0 240.347 0.912 20 30 BCEDRO CC#CC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000278303077 387550965 /nfs/dbraw/zinc/55/09/65/387550965.db2.gz HQZJOLSNNUIDSQ-UWVGGRQHSA-N 1 0 206.289 0.751 20 30 BCEDRO C=CCOc1cccc(C[NH+]2C[C@@H](O)[C@H](O)C2)c1 ZINC000278392061 387552365 /nfs/dbraw/zinc/55/23/65/387552365.db2.gz MWKGZOZEONFCNH-ZIAGYGMSSA-N 1 0 249.310 0.789 20 30 BCEDRO Cc1csc(C[NH2+]CCn2cnc(C#N)n2)n1 ZINC000353048217 387555880 /nfs/dbraw/zinc/55/58/80/387555880.db2.gz PJTOLHRLKGXCFL-UHFFFAOYSA-N 1 0 248.315 0.705 20 30 BCEDRO CO[C@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C(C)C ZINC000424116546 387558712 /nfs/dbraw/zinc/55/87/12/387558712.db2.gz AHELUDBFJLTYBK-WDEREUQCSA-N 1 0 241.335 0.795 20 30 BCEDRO CC(C)C[C@H](CNC(=O)CC#N)[NH+](C)C ZINC000356206726 387627342 /nfs/dbraw/zinc/62/73/42/387627342.db2.gz QKVRQYLWDYPXEP-SNVBAGLBSA-N 1 0 211.309 0.993 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000278964448 387559401 /nfs/dbraw/zinc/55/94/01/387559401.db2.gz WZNOZPFMUUNTHX-JQWIXIFHSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CCn1ccc(CN(CC)C(=O)C[NH+](C)C)n1 ZINC000279209561 387563303 /nfs/dbraw/zinc/56/33/03/387563303.db2.gz WLPITGJROLMLLV-UHFFFAOYSA-N 1 0 248.330 0.426 20 30 BCEDRO CC#CCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279922911 387570764 /nfs/dbraw/zinc/57/07/64/387570764.db2.gz QHTXYHQHRBZWGM-NSHDSACASA-N 1 0 206.289 0.753 20 30 BCEDRO C=CCOc1cccnc1C(=O)NCCC[NH3+] ZINC000422716592 387627844 /nfs/dbraw/zinc/62/78/44/387627844.db2.gz ULXBGANOSCIHTN-UHFFFAOYSA-N 1 0 235.287 0.725 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000451896812 387672900 /nfs/dbraw/zinc/67/29/00/387672900.db2.gz CEUBIRFOAGDVSK-CYBMUJFWSA-N 1 0 238.331 0.791 20 30 BCEDRO CC[C@H](C)[C@H](O)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424140398 387689693 /nfs/dbraw/zinc/68/96/93/387689693.db2.gz ODPSOMLIPUZOIK-GARJFASQSA-N 1 0 241.335 0.531 20 30 BCEDRO C=CCNC(=O)CN(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000452117653 387745455 /nfs/dbraw/zinc/74/54/55/387745455.db2.gz OEOOSYUCUHDTAP-GFCCVEGCSA-N 1 0 239.363 0.703 20 30 BCEDRO C[C@]1(CNC(=O)[C@H]([NH3+])CCCC#N)CCOC1 ZINC000424141032 387700212 /nfs/dbraw/zinc/70/02/12/387700212.db2.gz OITWAMYEALVSDT-ZYHUDNBSSA-N 1 0 239.319 0.550 20 30 BCEDRO C#CC[N@H+](C)CCCNS(=O)(=O)CC1CC1 ZINC000328023239 387703906 /nfs/dbraw/zinc/70/39/06/387703906.db2.gz SWSQCWKLYCHTJA-UHFFFAOYSA-N 1 0 244.360 0.271 20 30 BCEDRO C=CCOCC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000440935570 387712755 /nfs/dbraw/zinc/71/27/55/387712755.db2.gz WFDCFRPKYNNIRI-QWRGUYRKSA-N 1 0 238.331 0.930 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)CCCO ZINC000440942158 387713076 /nfs/dbraw/zinc/71/30/76/387713076.db2.gz TXAGTMMHEQWASI-JTQLQIEISA-N 1 0 227.308 0.061 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)CCCO ZINC000440948312 387717845 /nfs/dbraw/zinc/71/78/45/387717845.db2.gz LTQOIYAFDFMJFG-NSHDSACASA-N 1 0 241.335 0.309 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@](C)(CCO)COC ZINC000150877952 387779471 /nfs/dbraw/zinc/77/94/71/387779471.db2.gz WFLDOTIXSZZKED-NEPJUHHUSA-N 1 0 231.336 0.691 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCN2CCOCC2)C1 ZINC000442630941 387810172 /nfs/dbraw/zinc/81/01/72/387810172.db2.gz RWNOLEXKSPTKGY-OLZOCXBDSA-N 1 0 237.347 0.991 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@H](C)CC[NH3+])nn1 ZINC000424153862 387811217 /nfs/dbraw/zinc/81/12/17/387811217.db2.gz LTPSHAIUCCHGNL-SECBINFHSA-N 1 0 237.307 0.321 20 30 BCEDRO CN(CCC#N)C[C@@H](O)COCC(F)(F)F ZINC000432828690 387830982 /nfs/dbraw/zinc/83/09/82/387830982.db2.gz KHNJDBDCCUHVJM-MRVPVSSYSA-N 1 0 240.225 0.772 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@H]2CC[C@H](CO)O2)cc1C#N ZINC000353718968 387831492 /nfs/dbraw/zinc/83/14/92/387831492.db2.gz ZZDOSUREEDPMKX-QWHCGFSZSA-N 1 0 249.314 0.526 20 30 BCEDRO C[NH+](C)CCCCNC(=O)c1ccc(C#N)[nH]1 ZINC000269849446 387835394 /nfs/dbraw/zinc/83/53/94/387835394.db2.gz ITXVRWVISSRODH-UHFFFAOYSA-N 1 0 234.303 0.958 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000643479671 387842918 /nfs/dbraw/zinc/84/29/18/387842918.db2.gz YZEVEVBADXNOFK-STQMWFEESA-N 1 0 240.347 0.546 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000448678173 387852956 /nfs/dbraw/zinc/85/29/56/387852956.db2.gz SLZFCIMWLAWRQK-MXWKQRLJSA-N 1 0 226.320 0.644 20 30 BCEDRO C=CCn1cc(C[NH2+]CC2(C)COC2)nn1 ZINC000424170993 387861031 /nfs/dbraw/zinc/86/10/31/387861031.db2.gz KYVULSWNCQPFPD-UHFFFAOYSA-N 1 0 222.292 0.590 20 30 BCEDRO C=C(C)CCNC(=O)[C@@H]1CN(C)CCO1 ZINC000452720861 387897400 /nfs/dbraw/zinc/89/74/00/387897400.db2.gz XYDPXRKOEDTLRG-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000424217434 387934078 /nfs/dbraw/zinc/93/40/78/387934078.db2.gz LLMPUWYGNKCYAG-AXFHLTTASA-N 1 0 237.303 0.173 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000424217863 387934560 /nfs/dbraw/zinc/93/45/60/387934560.db2.gz ORKWONBABHJXLU-AEJSXWLSSA-N 1 0 207.277 0.547 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000424218370 387935096 /nfs/dbraw/zinc/93/50/96/387935096.db2.gz SSTUPTQDNYJJDR-AXFHLTTASA-N 1 0 237.303 0.173 20 30 BCEDRO COCC[NH2+]CC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424218083 387935217 /nfs/dbraw/zinc/93/52/17/387935217.db2.gz QKMRYCQQYRDNOO-VHSXEESVSA-N 1 0 225.292 0.031 20 30 BCEDRO C=C(CC)C[NH2+][C@H]1CCN[C@H]1C(=O)OCC ZINC000423161690 387944422 /nfs/dbraw/zinc/94/44/22/387944422.db2.gz OBZDURLJPNYPCQ-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCOCC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000453036210 387967522 /nfs/dbraw/zinc/96/75/22/387967522.db2.gz NIYWCTCEEPRHMR-MNOVXSKESA-N 1 0 224.304 0.352 20 30 BCEDRO C=C(C)CC[N@@H+](C)[C@H](COC)C(N)=O ZINC000339356705 135071237 /nfs/dbraw/zinc/07/12/37/135071237.db2.gz JEOLVAKKNUUINA-SECBINFHSA-N 1 0 200.282 0.385 20 30 BCEDRO CSCCC[N@H+](C)CC(=O)NCC#N ZINC000439479156 388002146 /nfs/dbraw/zinc/00/21/46/388002146.db2.gz SIWOSORJBUCIRV-UHFFFAOYSA-N 1 0 215.322 0.311 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H]([NH3+])CC ZINC000424468456 388012086 /nfs/dbraw/zinc/01/20/86/388012086.db2.gz OIROROIASSNMTK-AXFHLTTASA-N 1 0 241.335 0.614 20 30 BCEDRO CC[C@@H]([NH3+])CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424466245 388012551 /nfs/dbraw/zinc/01/25/51/388012551.db2.gz KMJPXNYGHWVLHI-IVZWLZJFSA-N 1 0 224.308 0.715 20 30 BCEDRO C[N@@H+]1CCC[C@@H](CNC(=O)CSCC#N)C1 ZINC000108339906 388015567 /nfs/dbraw/zinc/01/55/67/388015567.db2.gz DLJKLIWEKHMBNW-JTQLQIEISA-N 1 0 241.360 0.701 20 30 BCEDRO CC[NH2+][C@H](C)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424474789 388026059 /nfs/dbraw/zinc/02/60/59/388026059.db2.gz IYTPTWHPSRESPX-OUAUKWLOSA-N 1 0 238.335 0.976 20 30 BCEDRO CN1CC[C@](O)(C[NH2+][C@H]2CCC[C@H](C#N)C2)C1 ZINC000446756457 388037076 /nfs/dbraw/zinc/03/70/76/388037076.db2.gz IPLLDMSTYDCCBA-AVGNSLFASA-N 1 0 237.347 0.725 20 30 BCEDRO C[NH2+]CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424481121 388037494 /nfs/dbraw/zinc/03/74/94/388037494.db2.gz QPAJIIOUKPOAPV-DTWKUNHWSA-N 1 0 210.281 0.197 20 30 BCEDRO CC(C)[C@H]([NH3+])CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424475393 388027256 /nfs/dbraw/zinc/02/72/56/388027256.db2.gz JGZQOTWEEFIDIY-HBNTYKKESA-N 1 0 238.335 0.961 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C#N)C2CC2)CC1 ZINC000108836732 388052048 /nfs/dbraw/zinc/05/20/48/388052048.db2.gz CHBPVBVPECESKX-ZDUSSCGKSA-N 1 0 245.326 0.750 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)CO[C@H](C)COC ZINC000447269230 388059537 /nfs/dbraw/zinc/05/95/37/388059537.db2.gz AKTTUSRPGNNLGE-MNOVXSKESA-N 1 0 217.309 0.517 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)C2(C#N)CCC2)C1 ZINC000083797890 388063583 /nfs/dbraw/zinc/06/35/83/388063583.db2.gz VQJXNKJDMQLALH-JTQLQIEISA-N 1 0 221.304 0.748 20 30 BCEDRO CC#CC[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000447391562 388068562 /nfs/dbraw/zinc/06/85/62/388068562.db2.gz KANATPHFAQUKBK-STQMWFEESA-N 1 0 241.331 0.356 20 30 BCEDRO C[N@H+](CCCC#N)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336657451 388068878 /nfs/dbraw/zinc/06/88/78/388068878.db2.gz LXRHVENDWSOMJM-SNVBAGLBSA-N 1 0 245.348 0.256 20 30 BCEDRO CC#CC[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000447391558 388068938 /nfs/dbraw/zinc/06/89/38/388068938.db2.gz KANATPHFAQUKBK-CHWSQXEVSA-N 1 0 241.331 0.356 20 30 BCEDRO CC[C@H](CC#N)[NH2+][C@@H](C)COCC(=O)OC ZINC000449243102 388162043 /nfs/dbraw/zinc/16/20/43/388162043.db2.gz IFUHNXAGLHXGRF-VHSXEESVSA-N 1 0 228.292 0.846 20 30 BCEDRO C=CC[C@@H](C)[NH2+][C@H](C)CS(C)(=O)=O ZINC000162321164 388148392 /nfs/dbraw/zinc/14/83/92/388148392.db2.gz FHQVPMYTSLYOMN-RKDXNWHRSA-N 1 0 205.323 0.974 20 30 BCEDRO C#CC[N@H+](CC)CCC(=O)N1CCOCC1 ZINC000490739325 388251471 /nfs/dbraw/zinc/25/14/71/388251471.db2.gz CWSCHMHXMLNUDP-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)COCC(C)C ZINC000490739861 388251666 /nfs/dbraw/zinc/25/16/66/388251666.db2.gz HIJXEUFYSJQUCT-LBPRGKRZSA-N 1 0 213.321 0.975 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000490740409 388251691 /nfs/dbraw/zinc/25/16/91/388251691.db2.gz LETOEIRLCDHEDA-DMDPSCGWSA-N 1 0 238.331 0.265 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCN1CCOC[C@@H]1C ZINC000490799378 388254965 /nfs/dbraw/zinc/25/49/65/388254965.db2.gz GZUGYPKTZDOIBG-NEPJUHHUSA-N 1 0 210.321 0.661 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCN1CCOC[C@@H]1C ZINC000490799380 388254986 /nfs/dbraw/zinc/25/49/86/388254986.db2.gz GZUGYPKTZDOIBG-RYUDHWBXSA-N 1 0 210.321 0.661 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000490840223 388256393 /nfs/dbraw/zinc/25/63/93/388256393.db2.gz MYQIPJPWRWOZIV-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCNC(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000490852053 388256634 /nfs/dbraw/zinc/25/66/34/388256634.db2.gz KNTQVQFRBKSNLS-RYUDHWBXSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CC[N@H+](CC)CCCNS(=O)(=O)CC ZINC000490852251 388256898 /nfs/dbraw/zinc/25/68/98/388256898.db2.gz MCQLYPHRWQNGOB-UHFFFAOYSA-N 1 0 232.349 0.271 20 30 BCEDRO C=C(Cl)CNC(=O)CCOC1C[NH2+]C1 ZINC000261528721 135154530 /nfs/dbraw/zinc/15/45/30/135154530.db2.gz UMHGZULEKRGFEJ-UHFFFAOYSA-N 1 0 218.684 0.234 20 30 BCEDRO C=CCC[C@H](NC(=O)C[NH+](C)C)C(=O)OCC ZINC000456637143 388211419 /nfs/dbraw/zinc/21/14/19/388211419.db2.gz YWEXFZPZPYYTCF-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO C[C@H](C[NH2+]CC(C)(C)CC#N)S(C)(=O)=O ZINC000517927130 256554286 /nfs/dbraw/zinc/55/42/86/256554286.db2.gz ZJZCYFLXJPDKLJ-SECBINFHSA-N 1 0 232.349 0.949 20 30 BCEDRO C=CCCCS(=O)(=O)N(C)CC[NH+](C)C ZINC000489548429 388220420 /nfs/dbraw/zinc/22/04/20/388220420.db2.gz FMSMIUBNWKIJTK-UHFFFAOYSA-N 1 0 234.365 0.776 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCN(CCOC)C1 ZINC000449522198 388223172 /nfs/dbraw/zinc/22/31/72/388223172.db2.gz UPQGDFJJKRHOCM-UPJWGTAASA-N 1 0 240.347 0.640 20 30 BCEDRO C=C(CC)CNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000456811371 388223253 /nfs/dbraw/zinc/22/32/53/388223253.db2.gz JBOSEDROQVSBPM-GFCCVEGCSA-N 1 0 237.347 0.459 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000490575429 388240742 /nfs/dbraw/zinc/24/07/42/388240742.db2.gz RRUFQYYGGUHVIU-NSHDSACASA-N 1 0 223.320 0.649 20 30 BCEDRO C=CC[N@@H+](C)CCN1C(=O)N[C@H](C)C1=O ZINC000459424693 388243949 /nfs/dbraw/zinc/24/39/49/388243949.db2.gz JLDDEUCLPOTKPB-MRVPVSSYSA-N 1 0 211.265 0.045 20 30 BCEDRO C#C[C@H](NC(=O)NCC[NH+](C)C)C(C)C ZINC000491264147 388280973 /nfs/dbraw/zinc/28/09/73/388280973.db2.gz FGSFHLCTQWKNDK-JTQLQIEISA-N 1 0 211.309 0.505 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[NH+](C)C)C(C)C ZINC000491264148 388281307 /nfs/dbraw/zinc/28/13/07/388281307.db2.gz FGSFHLCTQWKNDK-SNVBAGLBSA-N 1 0 211.309 0.505 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)NC[C@H]([NH3+])C(C)C ZINC000491267899 388281579 /nfs/dbraw/zinc/28/15/79/388281579.db2.gz WJPNAEXHGOFVBP-MNOVXSKESA-N 1 0 239.319 0.013 20 30 BCEDRO C#CC[N@@H+](C[C@@](C)(O)C(=O)OC)C1CCCC1 ZINC000491305431 388281769 /nfs/dbraw/zinc/28/17/69/388281769.db2.gz JARKIOXWPUUJNR-CYBMUJFWSA-N 1 0 239.315 0.788 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(C)CC1CC1 ZINC000451605903 388283559 /nfs/dbraw/zinc/28/35/59/388283559.db2.gz LBGAUEOJIWUDHJ-NEPJUHHUSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCC(=O)OC ZINC000451607326 388284109 /nfs/dbraw/zinc/28/41/09/388284109.db2.gz PNBUKFJRKCVOBZ-ZJUUUORDSA-N 1 0 213.277 0.873 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1CC ZINC000491337478 388285917 /nfs/dbraw/zinc/28/59/17/388285917.db2.gz AOARLMCVQVAWSP-MXWKQRLJSA-N 1 0 224.304 0.281 20 30 BCEDRO C#C[C@@H](CCC)NC(=[NH2+])N[C@H](C)COC ZINC000491380979 388290566 /nfs/dbraw/zinc/29/05/66/388290566.db2.gz BZUVQDIRPPQLSH-ZJUUUORDSA-N 1 0 211.309 0.937 20 30 BCEDRO C#CCN(C[C@@H]1C[C@@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000491384912 388290724 /nfs/dbraw/zinc/29/07/24/388290724.db2.gz QBPJQVYOYCTPLT-SDDRHHMPSA-N 1 0 241.356 0.765 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000491386045 388290807 /nfs/dbraw/zinc/29/08/07/388290807.db2.gz UGUIQNMUNZTKOG-ZJUUUORDSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H]1COCCN1C[C@H]([NH3+])CC(C)C ZINC000491384210 388290976 /nfs/dbraw/zinc/29/09/76/388290976.db2.gz OFHFHWLEDFHUJX-NEPJUHHUSA-N 1 0 210.321 0.694 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOC1CCCC1 ZINC000491384184 388291136 /nfs/dbraw/zinc/29/11/36/388291136.db2.gz OATRWIMFVPDEON-UHFFFAOYSA-N 1 0 238.331 0.675 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCO[C@H]1C=C ZINC000491392648 388291228 /nfs/dbraw/zinc/29/12/28/388291228.db2.gz CZRXDEZRXPXVNQ-MNOVXSKESA-N 1 0 222.288 0.059 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000491396755 388291818 /nfs/dbraw/zinc/29/18/18/388291818.db2.gz ZTXOMGCLSYOMCO-GHMZBOCLSA-N 1 0 221.304 0.390 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC=CCC1 ZINC000491420312 388293107 /nfs/dbraw/zinc/29/31/07/388293107.db2.gz WZCRFUGXGTTZTE-LLVKDONJSA-N 1 0 206.289 0.824 20 30 BCEDRO C#CCNC(=O)c1conc1C(C)(C)[NH3+] ZINC000491452858 388295589 /nfs/dbraw/zinc/29/55/89/388295589.db2.gz NUDBLANPFAZCES-UHFFFAOYSA-N 1 0 207.233 0.231 20 30 BCEDRO C#CC(C)(C)NC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000491452801 388295865 /nfs/dbraw/zinc/29/58/65/388295865.db2.gz NIJJLMSORLRNAO-JTQLQIEISA-N 1 0 208.305 0.855 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1ccccc1F ZINC000491473577 388297437 /nfs/dbraw/zinc/29/74/37/388297437.db2.gz FPLXSSGPLYUTEH-SKDRFNHKSA-N 1 0 223.247 0.443 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)COc1cccc(C)c1 ZINC000491484989 388298120 /nfs/dbraw/zinc/29/81/20/388298120.db2.gz MERLHMTWAHMBDY-QWHCGFSZSA-N 1 0 249.310 0.318 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@]1(C)CCCO1 ZINC000491497712 388299369 /nfs/dbraw/zinc/29/93/69/388299369.db2.gz ZKPRFGSDLADGEM-LBPRGKRZSA-N 1 0 224.304 0.285 20 30 BCEDRO C#CCN(CC#C)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000491515081 388300097 /nfs/dbraw/zinc/30/00/97/388300097.db2.gz LNPOJENXKUYTIG-UHFFFAOYSA-N 1 0 232.327 0.813 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1(N(C)C)CCC1 ZINC000491515000 388300340 /nfs/dbraw/zinc/30/03/40/388300340.db2.gz LAOHANHCBMODAY-UHFFFAOYSA-N 1 0 237.347 0.200 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000491524123 388301210 /nfs/dbraw/zinc/30/12/10/388301210.db2.gz JISVUOVFCAIKPI-NEPJUHHUSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@H]1CC1(C)C ZINC000491536250 388302062 /nfs/dbraw/zinc/30/20/62/388302062.db2.gz IUNOZNOERORPFZ-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+](CCCC)CC1 ZINC000491536542 388302235 /nfs/dbraw/zinc/30/22/35/388302235.db2.gz KMJJOTJYHKBABA-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO C#CCNC(=O)NC1CCC([NH+](C)C)CC1 ZINC000491547084 388303118 /nfs/dbraw/zinc/30/31/18/388303118.db2.gz YNVTYCRMFRMNEH-UHFFFAOYSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CC[C@@H](C)O1 ZINC000491554538 388303333 /nfs/dbraw/zinc/30/33/33/388303333.db2.gz KCEUEYXMBIZPKI-GHMZBOCLSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CC[N@@H+](CC#CC)C[C@H]1CCNC(=O)CC1 ZINC000491555559 388303613 /nfs/dbraw/zinc/30/36/13/388303613.db2.gz RQMKQAGRUGXZBT-CYBMUJFWSA-N 1 0 232.327 0.861 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000491618536 388305076 /nfs/dbraw/zinc/30/50/76/388305076.db2.gz AIUXQQQPWIBFRV-VXGBXAGGSA-N 1 0 235.331 0.780 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CC=C)CC1 ZINC000491626723 388305948 /nfs/dbraw/zinc/30/59/48/388305948.db2.gz KMPSKHMCQARBHF-UHFFFAOYSA-N 1 0 206.289 0.634 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000491635718 388307032 /nfs/dbraw/zinc/30/70/32/388307032.db2.gz SCVWAZWMKTVMFN-WOPDTQHZSA-N 1 0 237.347 0.941 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@]1(C#N)C[C@H]1C ZINC000491636286 388307371 /nfs/dbraw/zinc/30/73/71/388307371.db2.gz XGACNZYPIRVENS-DGCLKSJQSA-N 1 0 233.315 0.607 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CC[C@H](C[NH3+])CC1 ZINC000491646758 388307746 /nfs/dbraw/zinc/30/77/46/388307746.db2.gz UNOIQUOYXPKDAS-XYPYZODXSA-N 1 0 223.320 0.684 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C[C@H](O)CC ZINC000491657149 388308543 /nfs/dbraw/zinc/30/85/43/388308543.db2.gz JQSLOVZYIHHDAM-LLVKDONJSA-N 1 0 226.320 0.219 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000491656377 388308651 /nfs/dbraw/zinc/30/86/51/388308651.db2.gz IIQLWHPIQABDBO-RYUDHWBXSA-N 1 0 235.331 0.888 20 30 BCEDRO C#C[C@H]1COCCN1C[C@H]1CC2(CC2)C(=O)O1 ZINC000491663252 388309209 /nfs/dbraw/zinc/30/92/09/388309209.db2.gz PCLMKUFRPZMQAV-WDEREUQCSA-N 1 0 235.283 0.416 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCC[C@H]1OC ZINC000491663242 388309278 /nfs/dbraw/zinc/30/92/78/388309278.db2.gz RGXPBVXTUMWIIJ-VXGBXAGGSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1COCC1(C)C ZINC000491679125 388310443 /nfs/dbraw/zinc/31/04/43/388310443.db2.gz WTXVDWHEFALWPI-JTQLQIEISA-N 1 0 224.304 0.141 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)[C@H](C)CCC ZINC000491693543 388311525 /nfs/dbraw/zinc/31/15/25/388311525.db2.gz CZVWHUNHVWKBNX-VXGBXAGGSA-N 1 0 240.347 0.513 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000491708499 388313635 /nfs/dbraw/zinc/31/36/35/388313635.db2.gz URSOQFVIAZRRHU-VHSXEESVSA-N 1 0 211.309 0.600 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000491724871 388314892 /nfs/dbraw/zinc/31/48/92/388314892.db2.gz HFFZWQSYANEGNZ-CABZTGNLSA-N 1 0 241.237 0.582 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000491725795 388315116 /nfs/dbraw/zinc/31/51/16/388315116.db2.gz BYJWMUDTSVDZGW-VXGBXAGGSA-N 1 0 238.331 0.361 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000491729126 388315507 /nfs/dbraw/zinc/31/55/07/388315507.db2.gz MXKLZUZQZVMRCM-GHMZBOCLSA-N 1 0 223.320 0.825 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1CCC(OC)CC1 ZINC000491733263 388316040 /nfs/dbraw/zinc/31/60/40/388316040.db2.gz DASISMQQOQFHBJ-UHFFFAOYSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCN(CC#CC)CCc1cn[nH]c1 ZINC000491738852 388316665 /nfs/dbraw/zinc/31/66/65/388316665.db2.gz MYZUSPLZSZHNGB-UHFFFAOYSA-N 1 0 201.273 0.911 20 30 BCEDRO C#CCN1C(=O)C[C@H]([N@H+]2CCC(C)=C(C)C2)C1=O ZINC000491739244 388316801 /nfs/dbraw/zinc/31/68/01/388316801.db2.gz XJRJDFWHCDITLW-LBPRGKRZSA-N 1 0 246.310 0.789 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1(C2CC2)CC1 ZINC000491740963 388316805 /nfs/dbraw/zinc/31/68/05/388316805.db2.gz FFLFRBBNNVXXMC-UHFFFAOYSA-N 1 0 220.316 0.906 20 30 BCEDRO C#C[C@H](C)N(C)S(=O)(=O)CC[NH+](CC)CC ZINC000491742703 388317124 /nfs/dbraw/zinc/31/71/24/388317124.db2.gz QPDJKUYQLLEENI-NSHDSACASA-N 1 0 246.376 0.612 20 30 BCEDRO C#C[C@H](CC)NC(=O)C[N@H+](CC)C1CC1 ZINC000491748048 388317236 /nfs/dbraw/zinc/31/72/36/388317236.db2.gz OBSCPDGTAKVHCL-SNVBAGLBSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000491748657 388317346 /nfs/dbraw/zinc/31/73/46/388317346.db2.gz YHKQBHNWZPYZBC-TUAOUCFPSA-N 1 0 236.315 0.235 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000491753667 388318261 /nfs/dbraw/zinc/31/82/61/388318261.db2.gz OXCBAQVDZYRPEK-UPJWGTAASA-N 1 0 249.358 0.895 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000491759469 388318417 /nfs/dbraw/zinc/31/84/17/388318417.db2.gz MONMCGAWSWPZOB-GRYCIOLGSA-N 1 0 220.316 0.904 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)CSC)C(C)C ZINC000491759008 388318524 /nfs/dbraw/zinc/31/85/24/388318524.db2.gz KWPHUSDVDBRALL-NXEZZACHSA-N 1 0 201.335 0.958 20 30 BCEDRO C#C[C@@H](NC(=O)N1CC[C@@H]([NH3+])C1)C(C)C ZINC000491759724 388318574 /nfs/dbraw/zinc/31/85/74/388318574.db2.gz ODFFYKUKZPCBQH-NXEZZACHSA-N 1 0 209.293 0.387 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1C[C@H](C)O[C@H]1C ZINC000491760726 388318700 /nfs/dbraw/zinc/31/87/00/388318700.db2.gz SJCANIVIIREKPG-SRVKXCTJSA-N 1 0 238.331 0.529 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOC(C)(C)C ZINC000491770663 388318941 /nfs/dbraw/zinc/31/89/41/388318941.db2.gz PELSZYBVCKGTSP-UHFFFAOYSA-N 1 0 226.320 0.531 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H](C)C[NH3+] ZINC000491774162 388319584 /nfs/dbraw/zinc/31/95/84/388319584.db2.gz VUYKZZTXQZVUGV-NSHDSACASA-N 1 0 221.304 0.249 20 30 BCEDRO C#CCN(Cc1cnnn1CC)C1CC1 ZINC000491775330 388319735 /nfs/dbraw/zinc/31/97/35/388319735.db2.gz FAGWOTLOBBPEKE-UHFFFAOYSA-N 1 0 204.277 0.896 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C(N)=O)(c2ccccc2)C1 ZINC000491776524 388319759 /nfs/dbraw/zinc/31/97/59/388319759.db2.gz WEZDMKWKIRXBRW-AWEZNQCLSA-N 1 0 228.295 0.749 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)CSC ZINC000491781810 388320737 /nfs/dbraw/zinc/32/07/37/388320737.db2.gz OEZRYKUVBLTLGH-SECBINFHSA-N 1 0 214.334 0.467 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CC[C@H](O)CC1 ZINC000491785618 388320961 /nfs/dbraw/zinc/32/09/61/388320961.db2.gz RRXJATFGLXHMQN-XYPYZODXSA-N 1 0 224.304 0.019 20 30 BCEDRO C#CC[N@H+](CC#CC)CC[C@@H]1CCNC1=O ZINC000491785519 388321023 /nfs/dbraw/zinc/32/10/23/388321023.db2.gz RMJXEVHXCBVAPO-LBPRGKRZSA-N 1 0 218.300 0.471 20 30 BCEDRO C#C[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])C(C)C ZINC000491785915 388321121 /nfs/dbraw/zinc/32/11/21/388321121.db2.gz VQTXLCIVQOKFBS-UWVGGRQHSA-N 1 0 211.309 0.633 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)[C@H](O)C(F)F ZINC000491804422 388321910 /nfs/dbraw/zinc/32/19/10/388321910.db2.gz LVIXMYPCBPLXRM-WPRPVWTQSA-N 1 0 248.273 0.120 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)CCC=C ZINC000491810541 388322683 /nfs/dbraw/zinc/32/26/83/388322683.db2.gz IVDGLBQSNCEEQA-LLVKDONJSA-N 1 0 224.304 0.043 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000491816303 388323191 /nfs/dbraw/zinc/32/31/91/388323191.db2.gz WCIJKVNNNRRJND-AVGNSLFASA-N 1 0 241.331 0.496 20 30 BCEDRO C#CCN(C(=O)N[C@H](C)C[NH3+])C1CCCC1 ZINC000491814426 388323293 /nfs/dbraw/zinc/32/32/93/388323293.db2.gz NHJOYUSADSHBMF-SNVBAGLBSA-N 1 0 223.320 0.921 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)CN(CC)CC ZINC000491817379 388323557 /nfs/dbraw/zinc/32/35/57/388323557.db2.gz OJTYBIHOOPUOMX-LBPRGKRZSA-N 1 0 239.363 0.446 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000491820630 388323850 /nfs/dbraw/zinc/32/38/50/388323850.db2.gz YMAHBVSFPRRGSM-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO CCC[C@@H](C#N)NC(=O)/C=C\C[NH+](C)C ZINC000491873100 388325421 /nfs/dbraw/zinc/32/54/21/388325421.db2.gz SYGWHXWWAOUNFL-BXKUYDPTSA-N 1 0 209.293 0.913 20 30 BCEDRO C#C[C@@H](NC(=O)/C=C\C[NH+](C)C)C(C)C ZINC000490986091 388261186 /nfs/dbraw/zinc/26/11/86/388261186.db2.gz QESBKGMZIVWYIX-SKVAFPRGSA-N 1 0 208.305 0.878 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+]C(C)(C)c1cnn(C)c1 ZINC000491024004 388265688 /nfs/dbraw/zinc/26/56/88/388265688.db2.gz ZXHYQYBILFGYKG-JTQLQIEISA-N 1 0 248.330 0.383 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000491071118 388267700 /nfs/dbraw/zinc/26/77/00/388267700.db2.gz IHXFJYORWATPDU-TUAOUCFPSA-N 1 0 237.347 0.149 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](C)Cn1cccn1 ZINC000491071202 388268105 /nfs/dbraw/zinc/26/81/05/388268105.db2.gz IMNFPTLFNBSYLZ-CYBMUJFWSA-N 1 0 234.347 0.816 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CCC)CC1 ZINC000491100832 388269268 /nfs/dbraw/zinc/26/92/68/388269268.db2.gz HYVGPRNTOIMYMY-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CCCCO)CC1 ZINC000491106080 388270375 /nfs/dbraw/zinc/27/03/75/388270375.db2.gz XFIIDLARLDXKRW-UHFFFAOYSA-N 1 0 238.331 0.220 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000491121444 388270591 /nfs/dbraw/zinc/27/05/91/388270591.db2.gz QYBPQRGGHSGENE-VXGBXAGGSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(C)(OC)CC1 ZINC000491128030 388271626 /nfs/dbraw/zinc/27/16/26/388271626.db2.gz YTABKDGADRFJNE-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1cnn(C)c1C ZINC000491164735 388273225 /nfs/dbraw/zinc/27/32/25/388273225.db2.gz FEKYDMSWCWLALY-SNVBAGLBSA-N 1 0 248.330 0.519 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000491154473 388273467 /nfs/dbraw/zinc/27/34/67/388273467.db2.gz JQRFINONOISXIK-RYUDHWBXSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCN(C)C[C@@H]1CCCS(=O)(=O)C1 ZINC000491167706 388274355 /nfs/dbraw/zinc/27/43/55/388274355.db2.gz ZCXPLFOUMDVYEB-JTQLQIEISA-N 1 0 215.318 0.376 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)Cc1cccc(O)c1 ZINC000491203803 388277202 /nfs/dbraw/zinc/27/72/02/388277202.db2.gz ZJIKLLDSQVPYGT-UHFFFAOYSA-N 1 0 246.310 0.964 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](OC)C1(C)C ZINC000451483565 388277316 /nfs/dbraw/zinc/27/73/16/388277316.db2.gz AYEUNBZLWVPAID-ZJUUUORDSA-N 1 0 226.320 0.692 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](C[C@H](O)CC)CC1 ZINC000491202900 388277359 /nfs/dbraw/zinc/27/73/59/388277359.db2.gz QVCQSUAUUJZOEC-GFCCVEGCSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCc2ncsc2C1 ZINC000491202104 388277391 /nfs/dbraw/zinc/27/73/91/388277391.db2.gz LVZDTCBKNVMIKM-UHFFFAOYSA-N 1 0 249.339 0.641 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000491203644 388277436 /nfs/dbraw/zinc/27/74/36/388277436.db2.gz YEMJAGSWTZZCJP-RYUDHWBXSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](C)C[C@H]1C ZINC000491203656 388277489 /nfs/dbraw/zinc/27/74/89/388277489.db2.gz YFJCGKGIVPNGRW-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C[C@H]1CC(NC(=O)C=CC[NH+](C)C)=NO1 ZINC000492389035 388343163 /nfs/dbraw/zinc/34/31/63/388343163.db2.gz FEMKVCOSXOLDRG-LGYSABEFSA-N 1 0 211.265 0.343 20 30 BCEDRO C=CCn1cc(CNC(=O)CC(C)(C)[NH3+])nn1 ZINC000646389184 388349006 /nfs/dbraw/zinc/34/90/06/388349006.db2.gz MSVAWTIHTFWNSR-UHFFFAOYSA-N 1 0 237.307 0.208 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1ccnc(C#N)c1 ZINC000227930209 388373869 /nfs/dbraw/zinc/37/38/69/388373869.db2.gz WUMGGHBGPFCSLJ-GFCCVEGCSA-N 1 0 234.303 0.678 20 30 BCEDRO Cc1cc(C#N)nc(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000227933770 388373948 /nfs/dbraw/zinc/37/39/48/388373948.db2.gz NQCGJXBQGKUMBS-LBPRGKRZSA-N 1 0 249.318 0.381 20 30 BCEDRO C[C@]1(C(N)=O)CC[N@H+](CCCCC#N)C1 ZINC000235747051 388375099 /nfs/dbraw/zinc/37/50/99/388375099.db2.gz BVUZRYBFTIIWOV-NSHDSACASA-N 1 0 209.293 0.878 20 30 BCEDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000227975483 388375414 /nfs/dbraw/zinc/37/54/14/388375414.db2.gz GVWPRGZMNLXYBB-GXFFZTMASA-N 1 0 249.314 0.526 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)CCC[NH3+] ZINC000572842059 388380833 /nfs/dbraw/zinc/38/08/33/388380833.db2.gz OYECFBNQOBXQMS-VIFPVBQESA-N 1 0 220.338 0.609 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C[NH3+])CCCC ZINC000236743277 388382909 /nfs/dbraw/zinc/38/29/09/388382909.db2.gz AFWQNEUXFMQJBY-SNVBAGLBSA-N 1 0 234.365 0.999 20 30 BCEDRO C[N@H+]1CC=C(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000271820689 388406356 /nfs/dbraw/zinc/40/63/56/388406356.db2.gz KMBRUXUCDOMHKI-UHFFFAOYSA-N 1 0 244.298 0.878 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H](C)C[NH2+]C ZINC000237206365 388391152 /nfs/dbraw/zinc/39/11/52/388391152.db2.gz BLVUFIIYGPQHCG-VIFPVBQESA-N 1 0 220.338 0.337 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000646592362 388392205 /nfs/dbraw/zinc/39/22/05/388392205.db2.gz RDRSGFCDYBGYMD-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCCOCC(=O)N1CCC(C[NH3+])CC1 ZINC000646608882 388394482 /nfs/dbraw/zinc/39/44/82/388394482.db2.gz POZNRSZZLFAMFT-UHFFFAOYSA-N 1 0 226.320 0.776 20 30 BCEDRO COC[C@H](CCO)[NH2+]Cc1ccc(C#N)o1 ZINC000164634736 388394702 /nfs/dbraw/zinc/39/47/02/388394702.db2.gz OJFPQOYKOBYZRC-VIFPVBQESA-N 1 0 224.260 0.638 20 30 BCEDRO C[NH+](C)[C@@H]1CCN(c2nccnc2C#N)C1 ZINC000070916237 388441223 /nfs/dbraw/zinc/44/12/23/388441223.db2.gz PSDMJIYWOWGQFA-SECBINFHSA-N 1 0 217.276 0.489 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000646741760 388451622 /nfs/dbraw/zinc/45/16/22/388451622.db2.gz HYOHLEXSMMEDAI-UTUOFQBUSA-N 1 0 240.347 0.770 20 30 BCEDRO C[NH+](C)CCNC(=O)CNc1cccc(C#N)c1 ZINC000130826993 388464628 /nfs/dbraw/zinc/46/46/28/388464628.db2.gz TYZJTQBQGXPOKH-UHFFFAOYSA-N 1 0 246.314 0.648 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648852454 388470717 /nfs/dbraw/zinc/47/07/17/388470717.db2.gz GAMWBSPQNHTUSR-GRYCIOLGSA-N 1 0 240.347 0.627 20 30 BCEDRO C[C@H](C[S@@](C)=O)[N@H+](C)CCOCCC#N ZINC000339083424 388476977 /nfs/dbraw/zinc/47/69/77/388476977.db2.gz JEOQIVCQAXGAPA-MEBBXXQBSA-N 1 0 232.349 0.615 20 30 BCEDRO C[C@@H]1[C@H](C)N(c2cc(C#N)cnn2)CC[N@H+]1C ZINC000596181726 388407883 /nfs/dbraw/zinc/40/78/83/388407883.db2.gz DYBJNNPDOIPZEJ-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO C=CCOCC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000524775791 388409603 /nfs/dbraw/zinc/40/96/03/388409603.db2.gz RNYOIPSNMQMLCU-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)[NH+](C)C ZINC000272001430 388418166 /nfs/dbraw/zinc/41/81/66/388418166.db2.gz OBUKIRJPOGLILM-QMMMGPOBSA-N 1 0 220.276 0.566 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000646697775 388418900 /nfs/dbraw/zinc/41/89/00/388418900.db2.gz FRRAQILRMTXNOC-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCOCC[NH2+][C@H](COC)[C@@H]1CCCO1 ZINC000339136972 388480193 /nfs/dbraw/zinc/48/01/93/388480193.db2.gz NVKGNIIVWNDKKN-NEPJUHHUSA-N 1 0 229.320 0.973 20 30 BCEDRO COC[C@H]1CC[N@@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528511417 388538150 /nfs/dbraw/zinc/53/81/50/388538150.db2.gz IDCKDNXALCLTQC-GHMZBOCLSA-N 1 0 224.304 0.762 20 30 BCEDRO COC[C@H]1CC[N@@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528511419 388538966 /nfs/dbraw/zinc/53/89/66/388538966.db2.gz IDCKDNXALCLTQC-MNOVXSKESA-N 1 0 224.304 0.762 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000517199410 388541869 /nfs/dbraw/zinc/54/18/69/388541869.db2.gz UJRVPQAMWHKPIM-RYUDHWBXSA-N 1 0 229.320 0.254 20 30 BCEDRO C=C(C)[C@H](CO)N1CCc2nnc(NC)cc2C1 ZINC000649287307 388543032 /nfs/dbraw/zinc/54/30/32/388543032.db2.gz HBNWTUSIQLVBSN-LBPRGKRZSA-N 1 0 248.330 0.235 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000646780980 388500970 /nfs/dbraw/zinc/50/09/70/388500970.db2.gz QWWGTODAGGDIRL-NWDGAFQWSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000614250319 388510728 /nfs/dbraw/zinc/51/07/28/388510728.db2.gz ODCBITBVOFIACN-PWSUYJOCSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CC[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000517008793 256810902 /nfs/dbraw/zinc/81/09/02/256810902.db2.gz XFBOSBIVYSFKSR-UHFFFAOYSA-N 1 0 208.265 0.807 20 30 BCEDRO CC1(C)CN(C(=O)c2cc(C#N)c[nH]2)CC[NH2+]1 ZINC000177938399 388523873 /nfs/dbraw/zinc/52/38/73/388523873.db2.gz BAEXKNBQAPWTAJ-UHFFFAOYSA-N 1 0 232.287 0.710 20 30 BCEDRO C[NH2+][C@@H](C)C(=O)NCc1ccc(CC#N)cc1 ZINC000564348054 388530717 /nfs/dbraw/zinc/53/07/17/388530717.db2.gz JHWXQPRCTZDSCM-JTQLQIEISA-N 1 0 231.299 0.977 20 30 BCEDRO C[NH+](C)CCNS(=O)(=O)CCCCC#N ZINC000136441837 388534867 /nfs/dbraw/zinc/53/48/67/388534867.db2.gz GZKVHUAKEKTYPJ-UHFFFAOYSA-N 1 0 233.337 0.161 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000328285204 388590740 /nfs/dbraw/zinc/59/07/40/388590740.db2.gz QECSBXAEQQVHOP-QWHCGFSZSA-N 1 0 224.348 0.956 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+](C)CCn1cccn1 ZINC000649308318 388595085 /nfs/dbraw/zinc/59/50/85/388595085.db2.gz WKMXRJMOPJPRSK-NSHDSACASA-N 1 0 209.293 0.752 20 30 BCEDRO CC#CCCCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000184798631 256848844 /nfs/dbraw/zinc/84/88/44/256848844.db2.gz UILOHIXQOGGNRB-ZDUSSCGKSA-N 1 0 240.347 0.609 20 30 BCEDRO C=C(C)[C@H](CO)N(C)CC[NH+]1CCCC1 ZINC000649311195 388597947 /nfs/dbraw/zinc/59/79/47/388597947.db2.gz YMYQDWQPIHKQIJ-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000530026457 388606012 /nfs/dbraw/zinc/60/60/12/388606012.db2.gz IPABDHBMYLDWDZ-RYUDHWBXSA-N 1 0 238.331 0.666 20 30 BCEDRO CN(C)C(=O)C[N@H+](C)CCCSCC#N ZINC000080626791 388560309 /nfs/dbraw/zinc/56/03/09/388560309.db2.gz RQRPNHLVTLEATP-UHFFFAOYSA-N 1 0 229.349 0.653 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)c1cccc(C#N)n1 ZINC000598162106 388561434 /nfs/dbraw/zinc/56/14/34/388561434.db2.gz UUOCUCHCSXRKKM-UHFFFAOYSA-N 1 0 244.298 0.587 20 30 BCEDRO CC[NH+](CC)CCNC(=O)c1cc(C#N)cn1C ZINC000081552016 388581981 /nfs/dbraw/zinc/58/19/81/388581981.db2.gz TXJTYILWDLFIGP-UHFFFAOYSA-N 1 0 248.330 0.968 20 30 BCEDRO Cc1nsc(NC(=O)NCCC[NH3+])c1C#N ZINC000415725309 388669345 /nfs/dbraw/zinc/66/93/45/388669345.db2.gz OUEAJTKQWOVVLW-UHFFFAOYSA-N 1 0 239.304 0.794 20 30 BCEDRO CCOC[C@@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000521995237 388672474 /nfs/dbraw/zinc/67/24/74/388672474.db2.gz JBSCGWDRSZWCIS-AXFHLTTASA-N 1 0 212.293 0.666 20 30 BCEDRO C[NH2+]CCCNC(=O)NCc1cccc(C#N)c1 ZINC000416990158 388673242 /nfs/dbraw/zinc/67/32/42/388673242.db2.gz JEPHMNQLECIBPK-UHFFFAOYSA-N 1 0 246.314 0.967 20 30 BCEDRO C#CCN(C)Cc1nn2c(nc(C)cc2=O)s1 ZINC000192222095 388676902 /nfs/dbraw/zinc/67/69/02/388676902.db2.gz JGRRMSKQHYZKNK-UHFFFAOYSA-N 1 0 248.311 0.524 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CCCC[NH3+] ZINC000521622076 388618998 /nfs/dbraw/zinc/61/89/98/388618998.db2.gz NEUMACQOTSHIDK-QWRGUYRKSA-N 1 0 226.320 0.823 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]CCOc1ccc(C#N)cc1 ZINC000358195950 388620903 /nfs/dbraw/zinc/62/09/03/388620903.db2.gz DKMBGVDFLBPCGL-JTQLQIEISA-N 1 0 247.298 0.791 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@@H]2CC[C@H]2C2CC2)n1 ZINC000554377141 388623155 /nfs/dbraw/zinc/62/31/55/388623155.db2.gz JDLFCMXXHXROAN-WDEREUQCSA-N 1 0 231.303 0.928 20 30 BCEDRO C[C@H](CNC(=O)c1cnccc1C#N)[NH+](C)C ZINC000358669500 388625204 /nfs/dbraw/zinc/62/52/04/388625204.db2.gz XHBFPOULSTYWLC-SECBINFHSA-N 1 0 232.287 0.633 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1cnccc1C#N ZINC000359721961 388630431 /nfs/dbraw/zinc/63/04/31/388630431.db2.gz CTVKRMLCAFEQGE-VIFPVBQESA-N 1 0 232.287 0.633 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000551866724 388643230 /nfs/dbraw/zinc/64/32/30/388643230.db2.gz TULZNICBQSYWBC-NSHDSACASA-N 1 0 226.320 0.599 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000261551624 388643405 /nfs/dbraw/zinc/64/34/05/388643405.db2.gz QPSATAYEURDTHV-UWVGGRQHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCOCC(=O)NC1(C)CC[NH2+]CC1 ZINC000261551649 388643459 /nfs/dbraw/zinc/64/34/59/388643459.db2.gz QRUXJGFBGYXKOF-UHFFFAOYSA-N 1 0 212.293 0.447 20 30 BCEDRO C#CC[N@@H+](C)CC(C)(C)CN1CCOCC1 ZINC000124041274 388660087 /nfs/dbraw/zinc/66/00/87/388660087.db2.gz BBOMCPZZBIQDJD-UHFFFAOYSA-N 1 0 224.348 0.910 20 30 BCEDRO C[C@@H](C[NH3+])CNS(=O)(=O)c1ccc(C#N)o1 ZINC000517395656 388660824 /nfs/dbraw/zinc/66/08/24/388660824.db2.gz LZEXNSOBGABQGS-ZETCQYMHSA-N 1 0 243.288 0.024 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C(C)(C)C#N ZINC000194695634 388739832 /nfs/dbraw/zinc/73/98/32/388739832.db2.gz ZQOQBBIINTYBEV-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H](CO)[C@H]2CCCO2)o1 ZINC000447971718 388740258 /nfs/dbraw/zinc/74/02/58/388740258.db2.gz MFLQUVJCPLATTA-VXGBXAGGSA-N 1 0 236.271 0.781 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000552980052 388742943 /nfs/dbraw/zinc/74/29/43/388742943.db2.gz LERLXYLFFXWAGD-WDEREUQCSA-N 1 0 223.320 0.946 20 30 BCEDRO CO[C@H](C)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370132740 388692510 /nfs/dbraw/zinc/69/25/10/388692510.db2.gz OZFMVPUYXZWZLD-SNVBAGLBSA-N 1 0 249.318 0.822 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000248888883 388697753 /nfs/dbraw/zinc/69/77/53/388697753.db2.gz RPHAOLIXLARALA-VXGBXAGGSA-N 1 0 227.304 0.108 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCSC[C@@H](C)C1 ZINC000249129979 388710300 /nfs/dbraw/zinc/71/03/00/388710300.db2.gz XUNSXRJVVYGZTM-WDEREUQCSA-N 1 0 240.372 0.809 20 30 BCEDRO C#CCNC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000193624900 388711776 /nfs/dbraw/zinc/71/17/76/388711776.db2.gz IQHQORNZZCLTFY-UHFFFAOYSA-N 1 0 235.331 0.793 20 30 BCEDRO CC[NH+]1CCN(c2cc(C#N)ncn2)CC1 ZINC000259062899 388719883 /nfs/dbraw/zinc/71/98/83/388719883.db2.gz WTIJTNZCWVUZKH-UHFFFAOYSA-N 1 0 217.276 0.490 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1cc(C#N)cn1C ZINC000081758784 388722119 /nfs/dbraw/zinc/72/21/19/388722119.db2.gz VWDYDWZNHQPJGZ-UHFFFAOYSA-N 1 0 234.303 0.578 20 30 BCEDRO CC(C)(CCC#N)C[NH2+]C[C@@H](O)CO ZINC000229698426 388798693 /nfs/dbraw/zinc/79/86/93/388798693.db2.gz ADEAETUNLQNQEB-SECBINFHSA-N 1 0 200.282 0.259 20 30 BCEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642639262 388807072 /nfs/dbraw/zinc/80/70/72/388807072.db2.gz SZIJICYYUTXVIM-NXEZZACHSA-N 1 0 241.335 0.311 20 30 BCEDRO Cn1cc(C[N@@H+]2CC[C@@](C)(C(N)=O)C2)cc1C#N ZINC000280314614 388781715 /nfs/dbraw/zinc/78/17/15/388781715.db2.gz PWQVKWGIYFDRQH-CYBMUJFWSA-N 1 0 246.314 0.594 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)CCOCC ZINC000564855122 388894305 /nfs/dbraw/zinc/89/43/05/388894305.db2.gz AEOXCWQZUJTRSU-AVGNSLFASA-N 1 0 243.347 0.955 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)C[N@@H+](C)CCC ZINC000649187336 388898669 /nfs/dbraw/zinc/89/86/69/388898669.db2.gz NZIVWISJUVDCOB-LLVKDONJSA-N 1 0 226.320 0.219 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)[C@@H](CC)[NH+](C)C ZINC000649185547 388900372 /nfs/dbraw/zinc/90/03/72/388900372.db2.gz GPHIQLXLHUNGCF-WDEREUQCSA-N 1 0 226.320 0.217 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000565050004 388910709 /nfs/dbraw/zinc/91/07/09/388910709.db2.gz VNNMTGFULIFUPP-ONGXEEELSA-N 1 0 209.293 0.876 20 30 BCEDRO CC#CCN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000565660472 388959716 /nfs/dbraw/zinc/95/97/16/388959716.db2.gz LETIJBGRLMPXTI-UHFFFAOYSA-N 1 0 236.359 0.836 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@@H](C[NH3+])C2)C1=O ZINC000565775737 388968370 /nfs/dbraw/zinc/96/83/70/388968370.db2.gz VZXSIWCLKXDKBQ-RYUDHWBXSA-N 1 0 237.347 0.444 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000153190721 388948629 /nfs/dbraw/zinc/94/86/29/388948629.db2.gz HBAVFVSPVZYUQR-SDDRHHMPSA-N 1 0 220.316 0.856 20 30 BCEDRO CC(C)OCC[C@H](O)C[NH2+]C[C@@H](C)C#N ZINC000566116990 388989006 /nfs/dbraw/zinc/98/90/06/388989006.db2.gz OJCMUZBRXFQRDK-QWRGUYRKSA-N 1 0 214.309 0.912 20 30 BCEDRO COC[C@H](C)OC[C@@H](O)C[NH2+]CCCC#N ZINC000565829311 388971466 /nfs/dbraw/zinc/97/14/66/388971466.db2.gz HFOJMSFUOIYNEY-QWRGUYRKSA-N 1 0 230.308 0.292 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1c1cc(C#N)ccn1 ZINC000054374859 132364378 /nfs/dbraw/zinc/36/43/78/132364378.db2.gz GMUKDVGSNRZGLC-SECBINFHSA-N 1 0 202.261 0.751 20 30 BCEDRO C#C[C@H](NC(=[NH2+])N1CCOCC1)C(C)C ZINC000262246363 533278063 /nfs/dbraw/zinc/27/80/63/533278063.db2.gz YQQHYMTZZORZPI-JTQLQIEISA-N 1 0 209.293 0.291 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000368412962 533295350 /nfs/dbraw/zinc/29/53/50/533295350.db2.gz QPMYEONBSRPAJF-TUAOUCFPSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000185329368 533295616 /nfs/dbraw/zinc/29/56/16/533295616.db2.gz ZUOSJEXMFZTTGN-WDEREUQCSA-N 1 0 208.305 0.999 20 30 BCEDRO C#C[C@H](CC)NC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262891802 533299257 /nfs/dbraw/zinc/29/92/57/533299257.db2.gz AGVSTZNJKKDWGW-ZJUUUORDSA-N 1 0 209.293 0.482 20 30 BCEDRO C#Cc1ccc(C[NH2+]CC(=O)NC)cc1 ZINC000289060741 533342490 /nfs/dbraw/zinc/34/24/90/533342490.db2.gz BVYGKZOLNFCYHU-UHFFFAOYSA-N 1 0 202.257 0.504 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[N@@H+](C)CC ZINC000184406282 533523953 /nfs/dbraw/zinc/52/39/53/533523953.db2.gz ODGBYKYTGIJNGL-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO C[NH+]=C(NCCOC)N1CC[C@@]2(CCOC2)C1 ZINC000261947456 533477797 /nfs/dbraw/zinc/47/77/97/533477797.db2.gz GHLPWTZFFLCEAH-GFCCVEGCSA-N 1 0 241.335 0.321 20 30 BCEDRO C=C(C)C[N@@H+](C)CC(=O)NCCOCC ZINC000181333824 533494401 /nfs/dbraw/zinc/49/44/01/533494401.db2.gz SERHFOXQTMANPR-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C[C@H](O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000275016892 132204489 /nfs/dbraw/zinc/20/44/89/132204489.db2.gz KXPPDUDJUVLQME-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO COCC[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000283471012 132212553 /nfs/dbraw/zinc/21/25/53/132212553.db2.gz GEIXKANOCDZEIS-UHFFFAOYSA-N 1 0 246.314 0.722 20 30 BCEDRO C[C@@H](O)C[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000286626542 132215184 /nfs/dbraw/zinc/21/51/84/132215184.db2.gz KBLQPRRSDDYXDD-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(c2ccc(C#N)nn2)C1 ZINC000301961409 132308587 /nfs/dbraw/zinc/30/85/87/132308587.db2.gz IAFSDJVKCNFGCL-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCC#N)C1 ZINC000408367971 133477579 /nfs/dbraw/zinc/47/75/79/133477579.db2.gz ZYMGNUXGENHWBI-JTQLQIEISA-N 1 0 224.308 0.493 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247357750 133495667 /nfs/dbraw/zinc/49/56/67/133495667.db2.gz OJGSQKQIYNURDL-DGCLKSJQSA-N 1 0 236.315 0.237 20 30 BCEDRO NC(=[NH2+])Nc1nc([C@@H]2CCOC2)cs1 ZINC000273956888 133546333 /nfs/dbraw/zinc/54/63/33/133546333.db2.gz VTMATAJKFDXJAM-RXMQYKEDSA-N 1 0 212.278 0.552 20 30 BCEDRO N#Cc1ccc(C(=O)NCC2C[NH2+]C2)cc1 ZINC000334322944 133620505 /nfs/dbraw/zinc/62/05/05/133620505.db2.gz JCFPBMBQYLJPFE-UHFFFAOYSA-N 1 0 215.256 0.507 20 30 BCEDRO C=CC[NH2+][C@@H]1CC(=O)N(C)[C@H]1c1cnn(C)c1C ZINC000332420380 134004871 /nfs/dbraw/zinc/00/48/71/134004871.db2.gz RWVITFWNRPCJAN-YPMHNXCESA-N 1 0 248.330 0.776 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@@H](C)[C@@H](O)C1 ZINC000351959322 134018320 /nfs/dbraw/zinc/01/83/20/134018320.db2.gz OOVNKZKMVOUICJ-MNOVXSKESA-N 1 0 239.319 0.061 20 30 BCEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C(=O)CC#N ZINC000335952723 134022003 /nfs/dbraw/zinc/02/20/03/134022003.db2.gz HABHGEUROZSADH-GHMZBOCLSA-N 1 0 221.304 0.985 20 30 BCEDRO N#Cc1c[nH]c(C(=O)N[C@@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000336082999 134075531 /nfs/dbraw/zinc/07/55/31/134075531.db2.gz WIPJZOKABDVFJC-SNVBAGLBSA-N 1 0 244.298 0.853 20 30 BCEDRO Cn1cc(CN2C[C@@H](F)C[C@@H]2CO)cc1C#N ZINC000336089706 134077839 /nfs/dbraw/zinc/07/78/39/134077839.db2.gz NZENSYJTFDXBKH-CMPLNLGQSA-N 1 0 237.278 0.801 20 30 BCEDRO CN(CC#N)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000336107478 134082843 /nfs/dbraw/zinc/08/28/43/134082843.db2.gz UVVDJAKCMGAFPH-SNVBAGLBSA-N 1 0 207.277 0.595 20 30 BCEDRO C=CCN(C)S(=O)(=O)CC[NH+](CC)CC ZINC000352199980 134100161 /nfs/dbraw/zinc/10/01/61/134100161.db2.gz GRWDPTIBLAZSAE-UHFFFAOYSA-N 1 0 234.365 0.776 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H](O)C(C)C)CC1 ZINC000352269540 134129363 /nfs/dbraw/zinc/12/93/63/134129363.db2.gz RAVLVOGBFOTPHJ-GFCCVEGCSA-N 1 0 240.347 0.770 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000333793880 134135092 /nfs/dbraw/zinc/13/50/92/134135092.db2.gz MVTGXCIXTTVOFP-DCAQKATOSA-N 1 0 236.319 0.730 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000333830448 134139137 /nfs/dbraw/zinc/13/91/37/134139137.db2.gz LEAORCJULOVUDL-XWLWVQCSSA-N 1 0 210.277 0.682 20 30 BCEDRO C[C@@H](C#N)N(C)C(=O)C12CCC[NH+]1CCC2 ZINC000336283360 134142196 /nfs/dbraw/zinc/14/21/96/134142196.db2.gz VANYOKFIFIPESM-JTQLQIEISA-N 1 0 221.304 0.985 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000336329301 134143848 /nfs/dbraw/zinc/14/38/48/134143848.db2.gz LOUQYCIEWYFODT-VHSXEESVSA-N 1 0 215.318 0.681 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H](CO)C1 ZINC000304439400 134159892 /nfs/dbraw/zinc/15/98/92/134159892.db2.gz VWDQAFCLZLHVTO-GHMZBOCLSA-N 1 0 239.319 0.061 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CC(C)(C)O ZINC000304718552 134160056 /nfs/dbraw/zinc/16/00/56/134160056.db2.gz NXAHXKJHUSEPIH-SNVBAGLBSA-N 1 0 241.335 0.450 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)CC1(O)CCC1 ZINC000353494149 134163908 /nfs/dbraw/zinc/16/39/08/134163908.db2.gz YFRNOGAAZCTUDJ-UHFFFAOYSA-N 1 0 212.293 0.135 20 30 BCEDRO N#CCCC[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355108903 134171892 /nfs/dbraw/zinc/17/18/92/134171892.db2.gz TXEOSDPQAILUFB-LLVKDONJSA-N 1 0 236.319 0.826 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000355508276 134173510 /nfs/dbraw/zinc/17/35/10/134173510.db2.gz KQKCZGRWCWTWID-MDZLAQPJSA-N 1 0 240.347 0.865 20 30 BCEDRO C=CCOCC(=O)N1CCC([NH+](C)C)CC1 ZINC000355548340 134173754 /nfs/dbraw/zinc/17/37/54/134173754.db2.gz RLLRNYQYZWAKFK-UHFFFAOYSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCOCC(=O)N1CCC[N@@H+](CC)CC1 ZINC000356510228 134178686 /nfs/dbraw/zinc/17/86/86/134178686.db2.gz AOQSVSBOJBDVLS-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000356837453 134179799 /nfs/dbraw/zinc/17/97/99/134179799.db2.gz OGZIREFGYNJZSE-OUAUKWLOSA-N 1 0 226.320 0.380 20 30 BCEDRO CC#CCNC(=O)NCCC[NH+]1CCCC1 ZINC000357064743 134182021 /nfs/dbraw/zinc/18/20/21/134182021.db2.gz HXSVMOLEFKKSNY-UHFFFAOYSA-N 1 0 223.320 0.795 20 30 BCEDRO C=CCN(C)C(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000357243143 134182601 /nfs/dbraw/zinc/18/26/01/134182601.db2.gz QRKVHDLAGBWMPW-GFCCVEGCSA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357421627 134183116 /nfs/dbraw/zinc/18/31/16/134183116.db2.gz NMZCOXATLGXWFK-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO CCC[N@H+](CC(=O)NCC#N)CC(C)(C)O ZINC000357971347 134186424 /nfs/dbraw/zinc/18/64/24/134186424.db2.gz HOSMHOZSBLQREM-UHFFFAOYSA-N 1 0 227.308 0.109 20 30 BCEDRO C[C@@H](NC(=O)[C@@H](C)C#N)C1=CC[N@H+](C)CC1 ZINC000358127583 134186974 /nfs/dbraw/zinc/18/69/74/134186974.db2.gz PUDMHUGOXIDDBP-VHSXEESVSA-N 1 0 221.304 0.913 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358184566 134187150 /nfs/dbraw/zinc/18/71/50/134187150.db2.gz OSBMMQZLVICOLB-SECBINFHSA-N 1 0 218.322 0.173 20 30 BCEDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000358210814 134187211 /nfs/dbraw/zinc/18/72/11/134187211.db2.gz POFOVIUPXMVSEK-WDEREUQCSA-N 1 0 239.319 0.252 20 30 BCEDRO CC[NH+](CC)CCOCCNC(=O)CC#N ZINC000358397404 134187860 /nfs/dbraw/zinc/18/78/60/134187860.db2.gz XPPWPDPTXGKTNU-UHFFFAOYSA-N 1 0 227.308 0.375 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](OC)C1 ZINC000361367120 134204673 /nfs/dbraw/zinc/20/46/73/134204673.db2.gz DPTWQLXBVTXHNM-VHSXEESVSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@](C)(O)C(=O)OCC ZINC000361996202 134208456 /nfs/dbraw/zinc/20/84/56/134208456.db2.gz KRYIERUUBOKJMQ-LBPRGKRZSA-N 1 0 245.319 0.435 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CCC#N)CCC#N ZINC000362605922 134212687 /nfs/dbraw/zinc/21/26/87/134212687.db2.gz JPJGXYFTKNUCSV-NWDGAFQWSA-N 1 0 248.330 0.840 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NC1(C#N)CCC1 ZINC000362634565 134213663 /nfs/dbraw/zinc/21/36/63/134213663.db2.gz GEOQEPXTZCLVLX-ZJUUUORDSA-N 1 0 221.304 0.747 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362758050 134214526 /nfs/dbraw/zinc/21/45/26/134214526.db2.gz USFPXGFFJIDQOR-DCAQKATOSA-N 1 0 223.320 0.848 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362981601 134215154 /nfs/dbraw/zinc/21/51/54/134215154.db2.gz CLXQYEUHTOBIDC-SRVKXCTJSA-N 1 0 240.347 0.485 20 30 BCEDRO C=CCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000363179818 134215229 /nfs/dbraw/zinc/21/52/29/134215229.db2.gz RHIRGBVZJSBJES-ZDUSSCGKSA-N 1 0 223.364 0.884 20 30 BCEDRO C=CCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000363179817 134215302 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134233122 /nfs/dbraw/zinc/23/31/22/134233122.db2.gz CJXCHXRACUNBGC-UHFFFAOYSA-N 1 0 210.212 0.038 20 30 BCEDRO C#CCCNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000373177506 134233517 /nfs/dbraw/zinc/23/35/17/134233517.db2.gz JLURGWCACIXVEG-NWDGAFQWSA-N 1 0 235.331 0.745 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@](O)(C2CC2)C1 ZINC000373907915 134235220 /nfs/dbraw/zinc/23/52/20/134235220.db2.gz HFFASEIYWZQXFZ-LBPRGKRZSA-N 1 0 224.304 0.135 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375334749 134239061 /nfs/dbraw/zinc/23/90/61/134239061.db2.gz XWDDVZWDDIHHKR-LLVKDONJSA-N 1 0 204.277 0.938 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375343489 134239160 /nfs/dbraw/zinc/23/91/60/134239160.db2.gz YIFJRILKYAGIBX-NEPJUHHUSA-N 1 0 236.319 0.852 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000376500462 134242610 /nfs/dbraw/zinc/24/26/10/134242610.db2.gz LBESJUDLIHVGJP-NEPJUHHUSA-N 1 0 237.347 0.315 20 30 BCEDRO CO/N=C/C(=O)N[C@@H]1CC[N@@H+](C2CCCC2)C1 ZINC000377702007 134244721 /nfs/dbraw/zinc/24/47/21/134244721.db2.gz TUTFEJBYKNVBTC-SEEODLKFSA-N 1 0 239.319 0.752 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000378162341 134245654 /nfs/dbraw/zinc/24/56/54/134245654.db2.gz VPTRAWUMCBOGGE-ZDUSSCGKSA-N 1 0 240.347 0.868 20 30 BCEDRO CC[C@](C)(C#N)C(=O)N[C@H](C)C[NH+](C)C ZINC000168790748 134247893 /nfs/dbraw/zinc/24/78/93/134247893.db2.gz FHXHVIZSWKAQAN-MWLCHTKSSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218414464 134254580 /nfs/dbraw/zinc/25/45/80/134254580.db2.gz ZGOWJQUMLVECOO-VWYCJHECSA-N 1 0 221.304 0.889 20 30 BCEDRO CN(C)C(=[NH+]CC1CCOCC1)N(C)C ZINC000170904754 134254842 /nfs/dbraw/zinc/25/48/42/134254842.db2.gz FYWJYYNQYXAMHD-UHFFFAOYSA-N 1 0 213.325 0.892 20 30 BCEDRO CN(C)C(=[NH2+])NCc1cccnc1-n1cccn1 ZINC000170912186 134255446 /nfs/dbraw/zinc/25/54/46/134255446.db2.gz FRCLZJUMFLDLSG-UHFFFAOYSA-N 1 0 244.302 0.644 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172542726 134267967 /nfs/dbraw/zinc/26/79/67/134267967.db2.gz DTPRNVRETLIJHG-LBPRGKRZSA-N 1 0 249.358 0.294 20 30 BCEDRO N#CCNC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000177521030 134298441 /nfs/dbraw/zinc/29/84/41/134298441.db2.gz SOBDAKWRJXMAIN-PHIMTYICSA-N 1 0 221.304 0.748 20 30 BCEDRO N#Cc1c[nH]c(C(=O)NCC[NH+]2CCCC2)c1 ZINC000177481377 134298710 /nfs/dbraw/zinc/29/87/10/134298710.db2.gz RBHGRRCYFXKMLY-UHFFFAOYSA-N 1 0 232.287 0.712 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CCS(=O)(=O)NC ZINC000221096418 134318357 /nfs/dbraw/zinc/31/83/57/134318357.db2.gz KCHLXEVPLQQMHI-SECBINFHSA-N 1 0 220.338 0.480 20 30 BCEDRO CNC(=O)CC[NH+]1CCC(C)(C#N)CC1 ZINC000227351140 134378881 /nfs/dbraw/zinc/37/88/81/134378881.db2.gz KCKLXBCZLWDWCC-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO CC#CCCCC(=O)NCC[N@@H+](C)CCOC ZINC000185423287 134380369 /nfs/dbraw/zinc/38/03/69/134380369.db2.gz VODZACSAXORVFO-UHFFFAOYSA-N 1 0 240.347 0.874 20 30 BCEDRO CC[C@@H]1CCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000309067852 134413639 /nfs/dbraw/zinc/41/36/39/134413639.db2.gz AJTCGFYTHMMOGO-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO CC(C)C[C@@H](C[NH+](C)C)NC(=O)CC#N ZINC000049559959 134634486 /nfs/dbraw/zinc/63/44/86/134634486.db2.gz CCIAHMKDMSRVJO-JTQLQIEISA-N 1 0 211.309 0.993 20 30 BCEDRO C=C(Br)CNC(=O)[C@H]1CCC[NH2+]1 ZINC000155896625 134701513 /nfs/dbraw/zinc/70/15/13/134701513.db2.gz HOZGBILMEALQJL-SSDOTTSWSA-N 1 0 233.109 0.763 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000159400748 134774297 /nfs/dbraw/zinc/77/42/97/134774297.db2.gz MTHFUALHVMFXDI-SNVBAGLBSA-N 1 0 226.320 0.836 20 30 BCEDRO CCCOc1ncccc1CNC(N)=[NH2+] ZINC000161553010 134837388 /nfs/dbraw/zinc/83/73/88/134837388.db2.gz CGPVUAORVBSHOQ-UHFFFAOYSA-N 1 0 208.265 0.644 20 30 BCEDRO CC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000336681336 134899358 /nfs/dbraw/zinc/89/93/58/134899358.db2.gz RMXDYAHKDFILPC-SRVKXCTJSA-N 1 0 221.304 0.889 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](COC)CC(C)C ZINC000336767237 134961100 /nfs/dbraw/zinc/96/11/00/134961100.db2.gz POBTVBHIBSTOSH-LLVKDONJSA-N 1 0 228.336 0.939 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@H](CO)C2)C1=O ZINC000337122657 135000463 /nfs/dbraw/zinc/00/04/63/135000463.db2.gz BDUKNBXNZCICED-RYUDHWBXSA-N 1 0 238.331 0.478 20 30 BCEDRO C[C@H](C#N)CN(C)CCN1CCOC[C@H]1C ZINC000337122848 135000880 /nfs/dbraw/zinc/00/08/80/135000880.db2.gz BTRSYHDBOGHRHA-VXGBXAGGSA-N 1 0 225.336 0.799 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H]2CCCO2)C1=O ZINC000337137962 135001219 /nfs/dbraw/zinc/00/12/19/135001219.db2.gz OOKAILVYWJKHDU-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](C)C2)C1=O ZINC000337177529 135003248 /nfs/dbraw/zinc/00/32/48/135003248.db2.gz JRQNRDRNASZXJT-DCAQKATOSA-N 1 0 224.304 0.086 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)CCC[C@H](C)O)C1=O ZINC000337201184 135005052 /nfs/dbraw/zinc/00/50/52/135005052.db2.gz CQSQJWRNHBIWCN-NWDGAFQWSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@](O)(CC)C2)C1=O ZINC000337206006 135006869 /nfs/dbraw/zinc/00/68/69/135006869.db2.gz LTKOXCIIGRTOPW-AAEUAGOBSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@@H]2CCCOC2)C1=O ZINC000337236690 135009185 /nfs/dbraw/zinc/00/91/85/135009185.db2.gz YDIBUOPGLCDGMF-VXGBXAGGSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCC[NH+]1CCN(C[C@H](O)CC)CC1 ZINC000337277583 135010846 /nfs/dbraw/zinc/01/08/46/135010846.db2.gz RURIDBWWBVSFKY-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C[C@H](C#N)N1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000248461359 135012550 /nfs/dbraw/zinc/01/25/50/135012550.db2.gz OZJABWVCTPVRJK-NEPJUHHUSA-N 1 0 223.320 0.553 20 30 BCEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N(C)CC#N ZINC000337540399 135019146 /nfs/dbraw/zinc/01/91/46/135019146.db2.gz KEZSIBARSHTPGT-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO N#CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000365810313 135024152 /nfs/dbraw/zinc/02/41/52/135024152.db2.gz ABSJEPNKLHUXEX-NXEZZACHSA-N 1 0 207.277 0.501 20 30 BCEDRO N#CCN(CC#N)C(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365824478 135024953 /nfs/dbraw/zinc/02/49/53/135024953.db2.gz WLUTVZABSJSWLK-NEPJUHHUSA-N 1 0 246.314 0.737 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCOC[C@@H](C)C1 ZINC000338256890 135030291 /nfs/dbraw/zinc/03/02/91/135030291.db2.gz WKDUQMJJRKDKOT-WDEREUQCSA-N 1 0 226.320 0.645 20 30 BCEDRO N#CCSCCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338365601 135035093 /nfs/dbraw/zinc/03/50/93/135035093.db2.gz IODWOJUATQMQSN-PHIMTYICSA-N 1 0 242.344 0.733 20 30 BCEDRO C=CCC[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000338546738 135038755 /nfs/dbraw/zinc/03/87/55/135038755.db2.gz JCVZVWLDOAMYAY-UHFFFAOYSA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCC[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000338546371 135038902 /nfs/dbraw/zinc/03/89/02/135038902.db2.gz GWWJHCDERPGHJU-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCC[N@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000338549908 135040054 /nfs/dbraw/zinc/04/00/54/135040054.db2.gz YENPIZVJLPXMME-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@](F)(CO)C1 ZINC000338586968 135042151 /nfs/dbraw/zinc/04/21/51/135042151.db2.gz KSQWGVJNFNMBAP-MNOVXSKESA-N 1 0 217.284 0.720 20 30 BCEDRO C[C@@H](O)C[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000249723869 135043604 /nfs/dbraw/zinc/04/36/04/135043604.db2.gz FQODPPWTGPGJIR-BXKDBHETSA-N 1 0 239.319 0.107 20 30 BCEDRO N#CCCOCC[N@@H+](CCO)CC1CC1 ZINC000338926780 135048123 /nfs/dbraw/zinc/04/81/23/135048123.db2.gz VOFQFMCCISWLJK-UHFFFAOYSA-N 1 0 212.293 0.621 20 30 BCEDRO C=CCOCC[N@@H+](C)C1CCN(CCO)CC1 ZINC000338975626 135049553 /nfs/dbraw/zinc/04/95/53/135049553.db2.gz VYERXPPKAHHRIY-UHFFFAOYSA-N 1 0 242.363 0.578 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000339002216 135051135 /nfs/dbraw/zinc/05/11/35/135051135.db2.gz ZBMVFVYFLYWAPE-SNVBAGLBSA-N 1 0 212.293 0.352 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)CC)CC1 ZINC000366241657 135053802 /nfs/dbraw/zinc/05/38/02/135053802.db2.gz ZOAYQHNYZLJOAL-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000339043440 135054040 /nfs/dbraw/zinc/05/40/40/135054040.db2.gz OCRHXISNMKQPBW-SNVBAGLBSA-N 1 0 244.360 0.719 20 30 BCEDRO C[C@@H]1CN(CCOCCC#N)[C@@H](C)C[N@@H+]1C ZINC000339061467 135056285 /nfs/dbraw/zinc/05/62/85/135056285.db2.gz KULCDXRXLFIRNJ-NEPJUHHUSA-N 1 0 225.336 0.941 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000339080465 135057186 /nfs/dbraw/zinc/05/71/86/135057186.db2.gz BVUIVABBTXJKGD-LLVKDONJSA-N 1 0 215.293 0.272 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000339119555 135059704 /nfs/dbraw/zinc/05/97/04/135059704.db2.gz SCGYCHLAKIDNTI-TUAOUCFPSA-N 1 0 238.331 0.775 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000339100384 135060332 /nfs/dbraw/zinc/06/03/32/135060332.db2.gz YHSPJABJYYXTMB-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCOCC[N@@H+]1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000339155620 135062561 /nfs/dbraw/zinc/06/25/61/135062561.db2.gz OFFMXPDFPFEOSW-MNOVXSKESA-N 1 0 224.304 0.399 20 30 BCEDRO C=CCOCC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000339196354 135066737 /nfs/dbraw/zinc/06/67/37/135066737.db2.gz AJIKKUUPJKCUIE-PHIMTYICSA-N 1 0 215.293 0.007 20 30 BCEDRO C[NH2+]CCNC(=O)c1ccc(/C=N/OC)cc1 ZINC000237097662 135069337 /nfs/dbraw/zinc/06/93/37/135069337.db2.gz BRSLPAZVFFMRMI-OQLLNIDSSA-N 1 0 235.287 0.616 20 30 BCEDRO CO/N=C/c1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000237109048 135069390 /nfs/dbraw/zinc/06/93/90/135069390.db2.gz KXGRKRFLXUMLKC-XNTDXEJSSA-N 1 0 247.298 0.712 20 30 BCEDRO CC[N@H+](CCC(=O)N(C)CCC#N)[C@H](C)CO ZINC000339635183 135076651 /nfs/dbraw/zinc/07/66/51/135076651.db2.gz RINHQKIMBKKNJO-LLVKDONJSA-N 1 0 241.335 0.451 20 30 BCEDRO CNC(=O)CC[NH2+]Cc1cc(C#N)cs1 ZINC000086500230 135087281 /nfs/dbraw/zinc/08/72/81/135087281.db2.gz CSWRINWJNNKBPN-UHFFFAOYSA-N 1 0 223.301 0.845 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000252571564 135092472 /nfs/dbraw/zinc/09/24/72/135092472.db2.gz BLNNBIBUHFCIJW-NXEZZACHSA-N 1 0 245.348 0.254 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000366560763 135093159 /nfs/dbraw/zinc/09/31/59/135093159.db2.gz RIRWLLSTTZDLNG-CYBMUJFWSA-N 1 0 237.347 0.316 20 30 BCEDRO COCCC(C)(C)CNC1=[NH+]CCN1C ZINC000261531185 135108535 /nfs/dbraw/zinc/10/85/35/135108535.db2.gz FNQYUJWIRFNMLI-UHFFFAOYSA-N 1 0 213.325 0.940 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H](O)c2ccccc2)N1 ZINC000261589661 135110156 /nfs/dbraw/zinc/11/01/56/135110156.db2.gz UAPQFVNGPWSKDZ-MWLCHTKSSA-N 1 0 219.288 0.657 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1cc(C)nn1C ZINC000261880692 135111839 /nfs/dbraw/zinc/11/18/39/135111839.db2.gz QUUSKNBIYQFZOQ-VIFPVBQESA-N 1 0 239.323 0.168 20 30 BCEDRO Cc1ncc(CNC(=[NH2+])N2CCOCC2)s1 ZINC000261983212 135112946 /nfs/dbraw/zinc/11/29/46/135112946.db2.gz IWYVMSQAXSZEPB-UHFFFAOYSA-N 1 0 240.332 0.598 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1nccn1C ZINC000262013579 135114179 /nfs/dbraw/zinc/11/41/79/135114179.db2.gz VBFPXPLATGCMAP-QMMMGPOBSA-N 1 0 209.297 0.623 20 30 BCEDRO C=CCNC(=[NH+]C)N1CCO[C@H](COC)C1 ZINC000262003718 135114747 /nfs/dbraw/zinc/11/47/47/135114747.db2.gz UISZDBBBUFTLMP-JTQLQIEISA-N 1 0 227.308 0.095 20 30 BCEDRO CN(C)C(=[NH+]Cc1cnn(C)c1)N(C)C ZINC000262014283 135114840 /nfs/dbraw/zinc/11/48/40/135114840.db2.gz VHQUOEDURXRLCO-UHFFFAOYSA-N 1 0 209.297 0.399 20 30 BCEDRO C[NH+]=C(NCc1ccnn1C)N1CCCC1 ZINC000262177983 135116445 /nfs/dbraw/zinc/11/64/45/135116445.db2.gz WDGUIBLICGRYFM-UHFFFAOYSA-N 1 0 221.308 0.591 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2noc3c2CCCC3)N1 ZINC000262307725 135118136 /nfs/dbraw/zinc/11/81/36/135118136.db2.gz MWDZFINNFQAVGD-MRVPVSSYSA-N 1 0 234.303 0.991 20 30 BCEDRO CNC(NCc1ncccc1N(C)C)=[NH+]C ZINC000262379930 135118151 /nfs/dbraw/zinc/11/81/51/135118151.db2.gz OFFVSLWTPVIUKL-UHFFFAOYSA-N 1 0 221.308 0.442 20 30 BCEDRO COc1cccc([C@@H](O)CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262420329 135118671 /nfs/dbraw/zinc/11/86/71/135118671.db2.gz BCVCRVXWPNBEKP-SKDRFNHKSA-N 1 0 249.314 0.666 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2cccc(C(N)=O)c2)N1 ZINC000262474719 135118922 /nfs/dbraw/zinc/11/89/22/135118922.db2.gz BWSZALRPQAKKPN-SECBINFHSA-N 1 0 246.314 0.265 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1cncn1C ZINC000262415928 135118967 /nfs/dbraw/zinc/11/89/67/135118967.db2.gz YYBNBRVAULKEKJ-MRVPVSSYSA-N 1 0 209.297 0.623 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1cccn1C ZINC000262510941 135118986 /nfs/dbraw/zinc/11/89/86/135118986.db2.gz DCLQCKJTBLKRHN-VIFPVBQESA-N 1 0 224.308 0.464 20 30 BCEDRO CNC(NCCc1cn2c(n1)SCC2)=[NH+]C ZINC000262427075 135119029 /nfs/dbraw/zinc/11/90/29/135119029.db2.gz RTLNDFMWSJIQQA-UHFFFAOYSA-N 1 0 239.348 0.326 20 30 BCEDRO C[NH+]=C(NCc1noc(C)n1)N[C@H]1C[C@H]1C ZINC000262439417 135119140 /nfs/dbraw/zinc/11/91/40/135119140.db2.gz COKWHNPQDMTSRO-SVRRBLITSA-N 1 0 223.280 0.451 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H](O)c2cccc(F)c2)N1 ZINC000262628827 135119871 /nfs/dbraw/zinc/11/98/71/135119871.db2.gz FEMSUIPWYFVUGR-KWQFWETISA-N 1 0 237.278 0.796 20 30 BCEDRO COc1ccncc1CNC1=[NH+]CCN1C ZINC000262663161 135120526 /nfs/dbraw/zinc/12/05/26/135120526.db2.gz ZZIWSWLIEKSECA-UHFFFAOYSA-N 1 0 220.276 0.481 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1noc(C)n1 ZINC000262666466 135120534 /nfs/dbraw/zinc/12/05/34/135120534.db2.gz NMBOWVBSTBEJML-ZCFIWIBFSA-N 1 0 211.269 0.581 20 30 BCEDRO CN1CC[NH+]=C1NCC#Cc1ccccc1 ZINC000262681823 135120991 /nfs/dbraw/zinc/12/09/91/135120991.db2.gz WMQIUXIKMQLBFA-UHFFFAOYSA-N 1 0 213.284 0.929 20 30 BCEDRO COCCNC(=[NH2+])NCc1c(C)nn(C)c1C ZINC000262676555 135121061 /nfs/dbraw/zinc/12/10/61/135121061.db2.gz RCMXGQSJCPWYPU-UHFFFAOYSA-N 1 0 239.323 0.088 20 30 BCEDRO Cc1ccc([C@@H](O)CNC2=[NH+]CCN2C)cc1 ZINC000262674541 135121269 /nfs/dbraw/zinc/12/12/69/135121269.db2.gz SPBBARMOGJOJBO-LBPRGKRZSA-N 1 0 233.315 0.919 20 30 BCEDRO C=CCNC(NC[C@@H]1CCCO1)=[NH+]CC ZINC000263109902 135124252 /nfs/dbraw/zinc/12/42/52/135124252.db2.gz DOEMFPMGUFVVKM-JTQLQIEISA-N 1 0 211.309 0.907 20 30 BCEDRO Cn1ncc(CNC(=[NH2+])N2CCCCCC2)n1 ZINC000263141404 135125164 /nfs/dbraw/zinc/12/51/64/135125164.db2.gz JQTWXQHWNDKUTD-UHFFFAOYSA-N 1 0 236.323 0.506 20 30 BCEDRO C=CCNC(NC[C@@H]1CCCCO1)=[NH+]C ZINC000263256450 135125882 /nfs/dbraw/zinc/12/58/82/135125882.db2.gz QUSDXKNDGZQQKH-JTQLQIEISA-N 1 0 211.309 0.907 20 30 BCEDRO CNC(=[NH2+])NCCCOc1ccc(OC)cc1 ZINC000264064899 135130875 /nfs/dbraw/zinc/13/08/75/135130875.db2.gz ATLANIMKODQHGN-UHFFFAOYSA-N 1 0 237.303 0.998 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NC[C@@H](C)CO ZINC000264061910 135131006 /nfs/dbraw/zinc/13/10/06/135131006.db2.gz PQIJEOMKTHPAEM-SECBINFHSA-N 1 0 225.292 0.573 20 30 BCEDRO CNC(NCc1ccnc(N2CCCC2)c1)=[NH+]C ZINC000264076528 135131679 /nfs/dbraw/zinc/13/16/79/135131679.db2.gz HLKIQJHXLNRTFD-UHFFFAOYSA-N 1 0 247.346 0.977 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCN1CCCC1=O ZINC000264073855 135131805 /nfs/dbraw/zinc/13/18/05/135131805.db2.gz GQWFCNVQPBEHDC-UHFFFAOYSA-N 1 0 238.335 0.479 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCc1cnn(C)c1 ZINC000264087041 135132517 /nfs/dbraw/zinc/13/25/17/135132517.db2.gz JWGYEHUOMXKTLR-SECBINFHSA-N 1 0 223.324 0.665 20 30 BCEDRO C=CCNC(=[NH2+])NCCC(=O)N1CCCCC1 ZINC000264099614 135133138 /nfs/dbraw/zinc/13/31/38/135133138.db2.gz NQKXWMVKTQGEFL-UHFFFAOYSA-N 1 0 238.335 0.479 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ccc(C#N)cc1 ZINC000264104283 135133314 /nfs/dbraw/zinc/13/33/14/135133314.db2.gz PAEDTMUPRMICKE-JTQLQIEISA-N 1 0 246.314 0.997 20 30 BCEDRO CNC(NCCNC(=O)c1ccccc1)=[NH+]C ZINC000264107479 135133477 /nfs/dbraw/zinc/13/34/77/135133477.db2.gz ODIYGXWZIBNBTD-UHFFFAOYSA-N 1 0 234.303 0.211 20 30 BCEDRO C=CCNC(=[NH2+])NCCC(=O)N[C@H](C)CC ZINC000264108587 135133690 /nfs/dbraw/zinc/13/36/90/135133690.db2.gz QFJFIFYNMGHCAJ-SECBINFHSA-N 1 0 226.324 0.382 20 30 BCEDRO Cc1ccc([C@@H](O)CNC(=[NH2+])N(C)C)cc1 ZINC000264114880 135133755 /nfs/dbraw/zinc/13/37/55/135133755.db2.gz SCZYINJNDJYAOW-NSHDSACASA-N 1 0 221.304 0.905 20 30 BCEDRO CNC(NCCc1nc2ccccc2[nH]1)=[NH+]C ZINC000264125660 135134419 /nfs/dbraw/zinc/13/44/19/135134419.db2.gz SFBATIGLOUVWGY-UHFFFAOYSA-N 1 0 231.303 0.900 20 30 BCEDRO C=CCSCCNC(=[NH2+])N[C@H](C)COC ZINC000264125200 135134468 /nfs/dbraw/zinc/13/44/68/135134468.db2.gz WFSJNIMGWLCLSB-SECBINFHSA-N 1 0 231.365 0.845 20 30 BCEDRO COCCNC(=[NH2+])NCCc1ccccc1O ZINC000264132800 135135131 /nfs/dbraw/zinc/13/51/31/135135131.db2.gz YPSAPILDWVKOBX-UHFFFAOYSA-N 1 0 237.303 0.485 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](C)C(=O)OC ZINC000264278539 135137224 /nfs/dbraw/zinc/13/72/24/135137224.db2.gz NEYFCDOUDHSRNS-MRVPVSSYSA-N 1 0 213.281 0.276 20 30 BCEDRO CNC(NC[C@](C)(O)c1ccccc1)=[NH+]C ZINC000265137341 135142048 /nfs/dbraw/zinc/14/20/48/135142048.db2.gz MKIYTBHRRRDFNX-LBPRGKRZSA-N 1 0 221.304 0.689 20 30 BCEDRO CNC(NC[C@@](C)(O)c1ccccc1)=[NH+]C ZINC000265137340 135142470 /nfs/dbraw/zinc/14/24/70/135142470.db2.gz MKIYTBHRRRDFNX-GFCCVEGCSA-N 1 0 221.304 0.689 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000259821537 135144906 /nfs/dbraw/zinc/14/49/06/135144906.db2.gz DHRVPQQNUVIRQS-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)C1CC[NH+](C)CC1 ZINC000259919069 135145304 /nfs/dbraw/zinc/14/53/04/135145304.db2.gz JVRFHDBEEMWFHK-JTQLQIEISA-N 1 0 223.320 0.946 20 30 BCEDRO CNC(=[NH2+])NC[C@](C)(O)c1cccs1 ZINC000265764456 135145822 /nfs/dbraw/zinc/14/58/22/135145822.db2.gz IFSRMOHEVCINCU-VIFPVBQESA-N 1 0 213.306 0.490 20 30 BCEDRO CNC(NCC[C@H](O)c1ccccc1)=[NH+]C ZINC000266076536 135147781 /nfs/dbraw/zinc/14/77/81/135147781.db2.gz APPTYUXVGZGGSU-NSHDSACASA-N 1 0 221.304 0.905 20 30 BCEDRO CCCCNC(=[NH2+])NCCn1cc(C)cn1 ZINC000267379724 135153163 /nfs/dbraw/zinc/15/31/63/135153163.db2.gz ATIVJMKEGGNBKC-UHFFFAOYSA-N 1 0 223.324 0.896 20 30 BCEDRO CCc1nc(CCNC(=[NH2+])NCC(C)C)no1 ZINC000267378257 135153310 /nfs/dbraw/zinc/15/33/10/135153310.db2.gz AJRGGYIIFSSNAZ-UHFFFAOYSA-N 1 0 239.323 0.735 20 30 BCEDRO CNC(=[NH2+])NCCN(C)Cc1ccc(F)cc1 ZINC000267327837 135153332 /nfs/dbraw/zinc/15/33/32/135153332.db2.gz OCXYLAGYWKXERN-UHFFFAOYSA-N 1 0 238.310 0.792 20 30 BCEDRO CNC(=[NH2+])NC[C@](C)(O)c1ccc(F)cc1F ZINC000267406104 135154184 /nfs/dbraw/zinc/15/41/84/135154184.db2.gz GZDJUVFJCLDXJG-NSHDSACASA-N 1 0 243.257 0.706 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1noc(CC)n1 ZINC000267469474 135154793 /nfs/dbraw/zinc/15/47/93/135154793.db2.gz XKLRKBMLTPPTFW-UHFFFAOYSA-N 1 0 223.280 0.265 20 30 BCEDRO CNC(NCCc1ccccc1[N+](=O)[O-])=[NH+]C ZINC000267465896 135155051 /nfs/dbraw/zinc/15/50/51/135155051.db2.gz WKAUMONIHPBRIK-UHFFFAOYSA-N 1 0 236.275 0.932 20 30 BCEDRO C[C@H]1[C@@H]([NH3+])CCN1c1ccc(C#N)nc1 ZINC000261530864 135159474 /nfs/dbraw/zinc/15/94/74/135159474.db2.gz DILDZRGKSKZOJK-KWQFWETISA-N 1 0 202.261 0.879 20 30 BCEDRO C[C@H](O)C[C@@H](CNC(N)=[NH2+])c1ccccc1 ZINC000268473830 135159516 /nfs/dbraw/zinc/15/95/16/135159516.db2.gz XHPBKFFLYOEPFL-ONGXEEELSA-N 1 0 221.304 0.815 20 30 BCEDRO Cc1ccc(CNC2=[NH+]C[C@H](C)N2)cn1 ZINC000261531370 135159861 /nfs/dbraw/zinc/15/98/61/135159861.db2.gz GGJTVYAIZIXUPS-VIFPVBQESA-N 1 0 204.277 0.827 20 30 BCEDRO CC1CC[NH+](CC(=O)N(CC#N)CC#N)CC1 ZINC000268507635 135159914 /nfs/dbraw/zinc/15/99/14/135159914.db2.gz BOOWLVKFRRLZNY-UHFFFAOYSA-N 1 0 234.303 0.594 20 30 BCEDRO Cc1cccc([C@H](O)CNC(=[NH2+])N(C)C)c1 ZINC000268994553 135163140 /nfs/dbraw/zinc/16/31/40/135163140.db2.gz WBOKFZBZEKZGKO-LLVKDONJSA-N 1 0 221.304 0.905 20 30 BCEDRO Cc1noc(C)c1CNC1=[NH+]CCN1C ZINC000261533857 135165860 /nfs/dbraw/zinc/16/58/60/135165860.db2.gz LKTBHULWAZTNSL-UHFFFAOYSA-N 1 0 208.265 0.682 20 30 BCEDRO CCNC(=[NH2+])NC[C@H](CO)c1ccccc1 ZINC000270169978 135170149 /nfs/dbraw/zinc/17/01/49/135170149.db2.gz ZXIHXQUUTXNPKN-LLVKDONJSA-N 1 0 221.304 0.687 20 30 BCEDRO COCC1(CNC2=[NH+]C[C@@H](C)N2)CCC1 ZINC000261535623 135170842 /nfs/dbraw/zinc/17/08/42/135170842.db2.gz OUZYFRWLDRRHNN-SECBINFHSA-N 1 0 211.309 0.740 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2cccnc2)N1 ZINC000261535669 135170952 /nfs/dbraw/zinc/17/09/52/135170952.db2.gz OZJRGUFVEUNBRH-VIFPVBQESA-N 1 0 204.277 0.561 20 30 BCEDRO CN1CC[NH+]=C1NCC1(O)CCCCC1 ZINC000261538443 135176288 /nfs/dbraw/zinc/17/62/88/135176288.db2.gz YDLZYGWOHNIILH-UHFFFAOYSA-N 1 0 211.309 0.573 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000261548886 135187584 /nfs/dbraw/zinc/18/75/84/135187584.db2.gz OAGSJIIZFZFDSA-ZJUUUORDSA-N 1 0 232.349 0.575 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000261554519 135194315 /nfs/dbraw/zinc/19/43/15/135194315.db2.gz UISADZMIPGOMOJ-VHSXEESVSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000261561962 135203590 /nfs/dbraw/zinc/20/35/90/135203590.db2.gz VUUHTMIWXFYHHS-QJPTWQEYSA-N 1 0 237.347 0.218 20 30 BCEDRO Cc1nccn1CCNC(=[NH2+])NC(C)(C)C ZINC000261568360 135210048 /nfs/dbraw/zinc/21/00/48/135210048.db2.gz FKUCDRRALQVSBJ-UHFFFAOYSA-N 1 0 223.324 0.894 20 30 BCEDRO N#Cc1ccc2ncc(C[NH2+]CCO)n2c1 ZINC000164184092 135215714 /nfs/dbraw/zinc/21/57/14/135215714.db2.gz LKGQADMKIGJCFO-UHFFFAOYSA-N 1 0 216.244 0.288 20 30 BCEDRO CCc1nc(C)c(CNC2=[NH+]CCN2C)o1 ZINC000261583631 135224062 /nfs/dbraw/zinc/22/40/62/135224062.db2.gz HIJGVCUQFQPYMP-UHFFFAOYSA-N 1 0 222.292 0.936 20 30 BCEDRO C=CCOCC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261586273 135227635 /nfs/dbraw/zinc/22/76/35/135227635.db2.gz QYMNIVJZIQMOTQ-ZJUUUORDSA-N 1 0 212.293 0.385 20 30 BCEDRO C=CCN(C[C@@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000261586330 135227650 /nfs/dbraw/zinc/22/76/50/135227650.db2.gz RAYPNHHCZHKQFH-ZJUUUORDSA-N 1 0 232.349 0.009 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000261546381 135238606 /nfs/dbraw/zinc/23/86/06/135238606.db2.gz KZBSPOOQARWSOC-ZJUUUORDSA-N 1 0 232.349 0.480 20 30 BCEDRO C=CCOCC(=O)N1CCC([NH2+]C)CC1 ZINC000261547022 135239501 /nfs/dbraw/zinc/23/95/01/135239501.db2.gz LOXXYIIKKTYINN-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO CC/[NH+]=C(\N(C)C)N1CCC[C@@H](CC(N)=O)C1 ZINC000261667691 135245099 /nfs/dbraw/zinc/24/50/99/135245099.db2.gz BQOXRCZNLVRBEY-OKQWNRDOSA-N 1 0 240.351 0.511 20 30 BCEDRO C[NH+]=C(NCCOC)N(C)C[C@@H]1CCOC1 ZINC000261682546 135245139 /nfs/dbraw/zinc/24/51/39/135245139.db2.gz QTIAXCTUTGKLPY-JTQLQIEISA-N 1 0 229.324 0.177 20 30 BCEDRO Cc1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)cn1 ZINC000261689542 135246003 /nfs/dbraw/zinc/24/60/03/135246003.db2.gz BAXGFWHLJPSDRN-LBPRGKRZSA-N 1 0 248.330 0.973 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NCC1(O)CCCC1 ZINC000261711148 135247489 /nfs/dbraw/zinc/24/74/89/135247489.db2.gz DQLCSMJBAPUBDN-SNVBAGLBSA-N 1 0 241.335 0.375 20 30 BCEDRO Cn1nccc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261754453 135249956 /nfs/dbraw/zinc/24/99/56/135249956.db2.gz KLVACDJETWDWCM-JTQLQIEISA-N 1 0 237.307 0.003 20 30 BCEDRO [NH2+]=C(NCCC1(O)CCC1)NC[C@H]1CCCO1 ZINC000261747735 135250032 /nfs/dbraw/zinc/25/00/32/135250032.db2.gz JFSHJFOEIIXQJP-SNVBAGLBSA-N 1 0 241.335 0.375 20 30 BCEDRO C[C@@H](NC(N)=[NH2+])c1ccc([S@@](C)=O)cc1 ZINC000261831773 135256465 /nfs/dbraw/zinc/25/64/65/135256465.db2.gz VMAAFUUIHWTCLR-KWKYVRJSSA-N 1 0 225.317 0.758 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)NCC1CCOCC1 ZINC000261869454 135258045 /nfs/dbraw/zinc/25/80/45/135258045.db2.gz OPXRUJBIYDWJQT-NSHDSACASA-N 1 0 241.335 0.496 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NCC1CCOCC1 ZINC000261869453 135258290 /nfs/dbraw/zinc/25/82/90/135258290.db2.gz OPXRUJBIYDWJQT-LLVKDONJSA-N 1 0 241.335 0.496 20 30 BCEDRO [NH2+]=C(NCc1nccs1)NC[C@@H]1CCCO1 ZINC000261884019 135259975 /nfs/dbraw/zinc/25/99/75/135259975.db2.gz RLRXYNDXXVRURT-QMMMGPOBSA-N 1 0 240.332 0.726 20 30 BCEDRO [NH2+]=C(NCCc1ccccn1)NC[C@@H]1CCCO1 ZINC000261899259 135261196 /nfs/dbraw/zinc/26/11/96/135261196.db2.gz VOFJSNVJSGVIEK-LBPRGKRZSA-N 1 0 248.330 0.707 20 30 BCEDRO CN(C)C(=[NH+]CCC1(O)CCC1)N(C)C ZINC000261898304 135261257 /nfs/dbraw/zinc/26/12/57/135261257.db2.gz VMEWACCLCOHPBW-UHFFFAOYSA-N 1 0 213.325 0.771 20 30 BCEDRO CNC(=O)N[C@@H]1CCN(C[C@@H](C#N)CCC#N)C1 ZINC000342355560 135261547 /nfs/dbraw/zinc/26/15/47/135261547.db2.gz OTQHHQBVVCXVSB-GHMZBOCLSA-N 1 0 249.318 0.433 20 30 BCEDRO [NH2+]=C(NCc1cccnc1)NC[C@H]1CCCO1 ZINC000261908120 135261724 /nfs/dbraw/zinc/26/17/24/135261724.db2.gz XMWIZAXZUGBZMW-LLVKDONJSA-N 1 0 234.303 0.665 20 30 BCEDRO CN(C)C(=[NH2+])NCc1noc(C2CC2)n1 ZINC000261925137 135263800 /nfs/dbraw/zinc/26/38/00/135263800.db2.gz JSHGDGOBYGETNN-UHFFFAOYSA-N 1 0 209.253 0.323 20 30 BCEDRO C[NH+]=C(NC1CC1)N1CC[C@@]2(CCOC2)C1 ZINC000261943746 135265575 /nfs/dbraw/zinc/26/55/75/135265575.db2.gz FDZJARLUOOPIFE-GFCCVEGCSA-N 1 0 223.320 0.837 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCn1cccn1 ZINC000262007987 135272551 /nfs/dbraw/zinc/27/25/51/135272551.db2.gz SHXQUSLTFFDOEB-UHFFFAOYSA-N 1 0 207.281 0.364 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000342478271 135272638 /nfs/dbraw/zinc/27/26/38/135272638.db2.gz RDVMXOPDIJSHBG-CMPLNLGQSA-N 1 0 238.331 0.788 20 30 BCEDRO CN(C)C(=[NH2+])NCc1nccn1C(F)F ZINC000262021267 135273036 /nfs/dbraw/zinc/27/30/36/135273036.db2.gz XYJCOMOGBAXRCR-UHFFFAOYSA-N 1 0 217.223 0.655 20 30 BCEDRO [NH2+]=C(NCC1CCC1)NCC1(O)CCOCC1 ZINC000262026827 135273584 /nfs/dbraw/zinc/27/35/84/135273584.db2.gz ZSXGLTKFBXITKX-UHFFFAOYSA-N 1 0 241.335 0.232 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCO[C@H](C)C1 ZINC000262024818 135274153 /nfs/dbraw/zinc/27/41/53/135274153.db2.gz ZBSXPFKRZXJDTM-AXFHLTTASA-N 1 0 243.351 0.741 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CCOC[C@H]1C ZINC000262120410 135279893 /nfs/dbraw/zinc/27/98/93/135279893.db2.gz LXTLTWIKJVQXTR-ZJUUUORDSA-N 1 0 211.309 0.749 20 30 BCEDRO COCCNC(=[NH2+])NCc1cnn2ccccc12 ZINC000262128148 135280211 /nfs/dbraw/zinc/28/02/11/135280211.db2.gz NMACZOPPEVUDKW-UHFFFAOYSA-N 1 0 247.302 0.385 20 30 BCEDRO C#C[C@@H](NC(=[NH2+])N1CCO[C@@H](C)C1)C(C)C ZINC000262190704 135285016 /nfs/dbraw/zinc/28/50/16/135285016.db2.gz RDCFTNSALRLCNY-WDEREUQCSA-N 1 0 223.320 0.680 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CC[N@H+](C)C1)N1CCCC1 ZINC000262193342 135285244 /nfs/dbraw/zinc/28/52/44/135285244.db2.gz ZARBEZJWRGZJGI-NSHDSACASA-N 1 0 224.352 0.609 20 30 BCEDRO C=CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000262240054 135286985 /nfs/dbraw/zinc/28/69/85/135286985.db2.gz OZMAIFRSTBGWBK-NSHDSACASA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000262240049 135287483 /nfs/dbraw/zinc/28/74/83/135287483.db2.gz OZMAIFRSTBGWBK-LLVKDONJSA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCNC(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000262256452 135288437 /nfs/dbraw/zinc/28/84/37/135288437.db2.gz QSJFKBVFJBXZKW-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C[C@H](CC#N)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000342561579 135289682 /nfs/dbraw/zinc/28/96/82/135289682.db2.gz VWTUWIFKQFDMEK-IVZWLZJFSA-N 1 0 209.293 0.602 20 30 BCEDRO C[C@@H]1CCC[C@]1(O)CNC1=[NH+]CCN1C ZINC000262303489 135292312 /nfs/dbraw/zinc/29/23/12/135292312.db2.gz XVUUYTTVMYJVGS-KOLCDFICSA-N 1 0 211.309 0.429 20 30 BCEDRO CCc1nnc(CNC(=[NH2+])N(C)C)s1 ZINC000262329635 135292890 /nfs/dbraw/zinc/29/28/90/135292890.db2.gz USCYKVZKMOBNNI-UHFFFAOYSA-N 1 0 213.310 0.477 20 30 BCEDRO CNC(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)=[NH+]C ZINC000262331965 135293674 /nfs/dbraw/zinc/29/36/74/135293674.db2.gz BDMXXJWIPFKZRY-AEJSXWLSSA-N 1 0 225.336 0.985 20 30 BCEDRO C=CCOCCCC(=O)NCC1([NH3+])CCC1 ZINC000342586902 135293757 /nfs/dbraw/zinc/29/37/57/135293757.db2.gz LRQCDRRVVFJXLC-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO CCn1ncnc1CNC(=[NH2+])NC1CCCC1 ZINC000262356310 135294429 /nfs/dbraw/zinc/29/44/29/135294429.db2.gz JKKNEJHHMUFERL-UHFFFAOYSA-N 1 0 236.323 0.645 20 30 BCEDRO Cc1cc(CNC(=[NH2+])N2CCO[C@@H](C)C2)on1 ZINC000262419749 135295984 /nfs/dbraw/zinc/29/59/84/135295984.db2.gz ATUKFKSKPSXQGW-VIFPVBQESA-N 1 0 238.291 0.518 20 30 BCEDRO CCO[C@H]1C[C@H](NC(=[NH2+])NC)C12CCC2 ZINC000262416487 135296276 /nfs/dbraw/zinc/29/62/76/135296276.db2.gz MIQBUHASXVZLFC-IUCAKERBSA-N 1 0 211.309 0.868 20 30 BCEDRO Cn1ccc(CNC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000262421934 135296418 /nfs/dbraw/zinc/29/64/18/135296418.db2.gz BJSPUAKTRUPMCF-NSHDSACASA-N 1 0 236.319 0.608 20 30 BCEDRO C[C@@H](C[S@@](C)=O)N(C)CC1(C#N)CC1 ZINC000342629009 135297262 /nfs/dbraw/zinc/29/72/62/135297262.db2.gz DBHUSTHSLDQVMG-LKFCYVNXSA-N 1 0 214.334 0.989 20 30 BCEDRO C[C@H](C[S@](C)=O)N(C)CC1(C#N)CC1 ZINC000342629011 135297502 /nfs/dbraw/zinc/29/75/02/135297502.db2.gz DBHUSTHSLDQVMG-OTYXRUKQSA-N 1 0 214.334 0.989 20 30 BCEDRO CN(C)C(=[NH+]CCc1ccn(C)n1)N(C)C ZINC000262378865 135298055 /nfs/dbraw/zinc/29/80/55/135298055.db2.gz NVVTZHOZWQKLJI-UHFFFAOYSA-N 1 0 223.324 0.442 20 30 BCEDRO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC)[C@@]12CCCO2 ZINC000262384691 135298541 /nfs/dbraw/zinc/29/85/41/135298541.db2.gz PLYFDVKVOCPFAS-KKZNHRDASA-N 1 0 227.308 0.247 20 30 BCEDRO CCc1nnc(CNC2=[NH+]C[C@H](C)N2)s1 ZINC000262394833 135298725 /nfs/dbraw/zinc/29/87/25/135298725.db2.gz SOFUXXYWNPGFRJ-LURJTMIESA-N 1 0 225.321 0.538 20 30 BCEDRO CCc1nnc(CNC2=[NH+]C[C@@H](C)N2)s1 ZINC000262394834 135298757 /nfs/dbraw/zinc/29/87/57/135298757.db2.gz SOFUXXYWNPGFRJ-ZCFIWIBFSA-N 1 0 225.321 0.538 20 30 BCEDRO CCCNC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262445229 135299884 /nfs/dbraw/zinc/29/98/84/135299884.db2.gz DEDJSJJSJWULDW-SECBINFHSA-N 1 0 217.338 0.169 20 30 BCEDRO C[C@@H]1C[C@@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262446686 135299902 /nfs/dbraw/zinc/29/99/02/135299902.db2.gz IWPDTDOENJQBQR-OPRDCNLKSA-N 1 0 211.309 0.678 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)N[C@@H]1C[C@H]1C1CC1 ZINC000262457564 135300140 /nfs/dbraw/zinc/30/01/40/135300140.db2.gz QIROMACNBLYSNX-OUAUKWLOSA-N 1 0 223.320 0.868 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CCCO1)NC1CCC1 ZINC000262461267 135300208 /nfs/dbraw/zinc/30/02/08/135300208.db2.gz WDTHSGLEPQEVTG-JTQLQIEISA-N 1 0 211.309 0.883 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@H]2CCSC2)CCO1 ZINC000262460694 135300412 /nfs/dbraw/zinc/30/04/12/135300412.db2.gz MGYYKIDWBQQSEF-VHSXEESVSA-N 1 0 243.376 0.775 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCC2(CC#N)CC2)CCO1 ZINC000262454783 135300618 /nfs/dbraw/zinc/30/06/18/135300618.db2.gz RKTJCLJLUIMXDN-JTQLQIEISA-N 1 0 236.319 0.716 20 30 BCEDRO CCOC(C)(C)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262470134 135300777 /nfs/dbraw/zinc/30/07/77/135300777.db2.gz ORRPLWHOJPQOHS-SNVBAGLBSA-N 1 0 243.351 0.837 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCc2cccnn2)CCO1 ZINC000262474575 135300819 /nfs/dbraw/zinc/30/08/19/135300819.db2.gz PTQNIKOTJBPPCU-SECBINFHSA-N 1 0 235.291 0.012 20 30 BCEDRO [NH2+]=C(NCC(=O)NCC(F)F)NC1CCCC1 ZINC000262470960 135300985 /nfs/dbraw/zinc/30/09/85/135300985.db2.gz OVVAEAJXFYURRY-UHFFFAOYSA-N 1 0 248.277 0.215 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@H]2CCCO2)CCO1 ZINC000262467063 135301066 /nfs/dbraw/zinc/30/10/66/135301066.db2.gz NWQUUZXJTHIHHP-VHSXEESVSA-N 1 0 227.308 0.201 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262466567 135301208 /nfs/dbraw/zinc/30/12/08/135301208.db2.gz YDCJPEYMFNUILS-ZJUUUORDSA-N 1 0 235.335 0.901 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2COc3ccccc3O2)N1 ZINC000262477790 135301482 /nfs/dbraw/zinc/30/14/82/135301482.db2.gz CKNKWTYTALFDOK-NXEZZACHSA-N 1 0 247.298 0.764 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCc2ccco2)CCO1 ZINC000262480756 135301707 /nfs/dbraw/zinc/30/17/07/135301707.db2.gz RLGJQSUEMKWEAM-SECBINFHSA-N 1 0 223.276 0.815 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H]2COc3ccccc3O2)N1 ZINC000262477791 135301903 /nfs/dbraw/zinc/30/19/03/135301903.db2.gz CKNKWTYTALFDOK-UWVGGRQHSA-N 1 0 247.298 0.764 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@]2(C)CCOC2)CCO1 ZINC000262487173 135302067 /nfs/dbraw/zinc/30/20/67/135302067.db2.gz SVWNMXFUOGRAAN-PWSUYJOCSA-N 1 0 241.335 0.448 20 30 BCEDRO CS[C@H](C)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262477121 135302072 /nfs/dbraw/zinc/30/20/72/135302072.db2.gz QJLYCTOBJIXCHB-RKDXNWHRSA-N 1 0 231.365 0.773 20 30 BCEDRO CCO[C@@H]1C[C@@](O)(CNC(NC)=[NH+]C)C1(C)C ZINC000262491567 135302303 /nfs/dbraw/zinc/30/23/03/135302303.db2.gz JHZZTHIXYRWOLQ-BXKDBHETSA-N 1 0 243.351 0.347 20 30 BCEDRO C[NH+]=C(NC1CC1)N1CC[C@@H](COC)C1 ZINC000262494215 135302760 /nfs/dbraw/zinc/30/27/60/135302760.db2.gz VYDFEGBMDFLNRO-SECBINFHSA-N 1 0 211.309 0.693 20 30 BCEDRO Cn1cccc1CNC(=[NH2+])N1CCSCC1 ZINC000262503114 135303275 /nfs/dbraw/zinc/30/32/75/135303275.db2.gz ALCSVXUUJZGGPT-UHFFFAOYSA-N 1 0 238.360 0.889 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@@]2(C)CCCO2)CCO1 ZINC000262506184 135303332 /nfs/dbraw/zinc/30/33/32/135303332.db2.gz ZWYBVHLSNMQCRN-CMPLNLGQSA-N 1 0 241.335 0.591 20 30 BCEDRO [NH2+]=C(NCCOCC1CC1)N1CCOCC1 ZINC000262543614 135304377 /nfs/dbraw/zinc/30/43/77/135304377.db2.gz TTXJPMISBOUZFT-UHFFFAOYSA-N 1 0 227.308 0.060 20 30 BCEDRO CN(C)C(=[NH+]C[C@@](C)(O)c1ccco1)N(C)C ZINC000262547860 135305400 /nfs/dbraw/zinc/30/54/00/135305400.db2.gz WGDAHRDKLZBLKK-GFCCVEGCSA-N 1 0 239.319 0.966 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262573773 135306693 /nfs/dbraw/zinc/30/66/93/135306693.db2.gz ZNXPCFDKYSIBCO-WPRPVWTQSA-N 1 0 231.365 0.557 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2cccnc2N(C)C)N1 ZINC000262626562 135309351 /nfs/dbraw/zinc/30/93/51/135309351.db2.gz DOVUMENKPBLHLT-SECBINFHSA-N 1 0 233.319 0.585 20 30 BCEDRO CN(C)c1ncccc1CNC1=[NH+]CCN1C ZINC000262625728 135309354 /nfs/dbraw/zinc/30/93/54/135309354.db2.gz DIEHGKBJLVYBAB-UHFFFAOYSA-N 1 0 233.319 0.539 20 30 BCEDRO CCNC(=O)C(C)(C)CNC1=[NH+]C[C@@H](C)N1 ZINC000262631093 135309643 /nfs/dbraw/zinc/30/96/43/135309643.db2.gz FTCUWDSNBGNGCZ-MRVPVSSYSA-N 1 0 226.324 0.086 20 30 BCEDRO Cc1cncc(CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262646792 135310773 /nfs/dbraw/zinc/31/07/73/135310773.db2.gz JJVXRZOAVCWBTB-SECBINFHSA-N 1 0 204.277 0.827 20 30 BCEDRO Cc1cncc(CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262646794 135310858 /nfs/dbraw/zinc/31/08/58/135310858.db2.gz JJVXRZOAVCWBTB-VIFPVBQESA-N 1 0 204.277 0.827 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCN2CCOC(C)(C)C2)N1 ZINC000262648088 135311165 /nfs/dbraw/zinc/31/11/65/135311165.db2.gz JRVCTDYIFARXEN-JTQLQIEISA-N 1 0 240.351 0.035 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2cnc(C3CC3)nc2)N1 ZINC000262649613 135311391 /nfs/dbraw/zinc/31/13/91/135311391.db2.gz KBRKCWNPDMWLKG-SECBINFHSA-N 1 0 245.330 0.834 20 30 BCEDRO CO[C@@H]1CCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262656356 135311737 /nfs/dbraw/zinc/31/17/37/135311737.db2.gz LSUNRQLKLFGMRF-KXUCPTDWSA-N 1 0 211.309 0.739 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@]2(C)CCCC[C@@H]2O)N1 ZINC000262666546 135312504 /nfs/dbraw/zinc/31/25/04/135312504.db2.gz OXTVCENTHPILJV-JFGNBEQYSA-N 1 0 225.336 0.865 20 30 BCEDRO CO[C@H](CNC1=[NH+]CCN1C)C(C)(C)C ZINC000262667983 135312530 /nfs/dbraw/zinc/31/25/30/135312530.db2.gz PSRGVKRPWFIOCL-SECBINFHSA-N 1 0 213.325 0.939 20 30 BCEDRO C[C@H]1C[NH+]=C(NCC(=O)Nc2ccccc2)N1 ZINC000262677892 135313348 /nfs/dbraw/zinc/31/33/48/135313348.db2.gz USFJUGZPYTXISP-VIFPVBQESA-N 1 0 232.287 0.562 20 30 BCEDRO C[C@@H]1C[NH+]=C(N[C@@H]2[C@@H]3CCO[C@@H]3C23CCC3)N1 ZINC000262680729 135313356 /nfs/dbraw/zinc/31/33/56/135313356.db2.gz WBTHLRDNAFPTBB-YTWAJWBKSA-N 1 0 235.331 0.881 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2ncccc2O)N1 ZINC000262686220 135313964 /nfs/dbraw/zinc/31/39/64/135313964.db2.gz YMCNUXWNYWSXHV-SSDOTTSWSA-N 1 0 206.249 0.225 20 30 BCEDRO CNC(NCC1([S@@](C)=O)CCC1)=[NH+]C ZINC000262685880 135314153 /nfs/dbraw/zinc/31/41/53/135314153.db2.gz ALKJRIVMZWBESX-CQSZACIVSA-N 1 0 217.338 0.082 20 30 BCEDRO C[C@@H]1OCC[C@]1(O)CNC(=[NH2+])NCC1CCC1 ZINC000262716459 135315781 /nfs/dbraw/zinc/31/57/81/135315781.db2.gz DQOVPAPUPIYXKE-CABZTGNLSA-N 1 0 241.335 0.231 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000342734208 135316867 /nfs/dbraw/zinc/31/68/67/135316867.db2.gz MSBBXGWXJCJQTN-TUAOUCFPSA-N 1 0 238.331 0.775 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CCO[C@H]1C ZINC000262772832 135317017 /nfs/dbraw/zinc/31/70/17/135317017.db2.gz LMQDETCTUKWLSY-QXEWZRGKSA-N 1 0 229.324 0.229 20 30 BCEDRO C[NH+]=C(NC[C@H]1CCOC1)NCC1(O)CCC1 ZINC000262814714 135319883 /nfs/dbraw/zinc/31/98/83/135319883.db2.gz WKGYHTYCPLIZPO-SNVBAGLBSA-N 1 0 241.335 0.103 20 30 BCEDRO C=CC1CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000262830785 135321239 /nfs/dbraw/zinc/32/12/39/135321239.db2.gz ZVZJNOVTOSJHEK-NSHDSACASA-N 1 0 226.320 0.775 20 30 BCEDRO [NH2+]=C(NCCC1(O)CCC1)NC1CCC1 ZINC000263024691 135327139 /nfs/dbraw/zinc/32/71/39/135327139.db2.gz AKDRAOPHQPTOFE-UHFFFAOYSA-N 1 0 211.309 0.748 20 30 BCEDRO C[C@H]1CCC[C@]1(O)CNC(=[NH2+])N1CCC1 ZINC000263031860 135328413 /nfs/dbraw/zinc/32/84/13/135328413.db2.gz BKWDMKIGDKLFQV-ONGXEEELSA-N 1 0 211.309 0.558 20 30 BCEDRO [NH2+]=C(NCC(F)(F)CO)NC1CCC1 ZINC000263060235 135329907 /nfs/dbraw/zinc/32/99/07/135329907.db2.gz FLBWRKORQVRYTG-UHFFFAOYSA-N 1 0 207.224 0.071 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])N[C@H]2CC23CC3)CCO1 ZINC000263057293 135329544 /nfs/dbraw/zinc/32/95/44/135329544.db2.gz LZERRMZGEVWLJZ-BDAKNGLRSA-N 1 0 209.293 0.574 20 30 BCEDRO CO[C@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)C1CC1 ZINC000263066736 135330571 /nfs/dbraw/zinc/33/05/71/135330571.db2.gz GFWZXESXCDBLLL-GXSJLCMTSA-N 1 0 241.335 0.447 20 30 BCEDRO CO[C@H](CNC(=[NH2+])N1CCOCC1)C1CC1 ZINC000263084880 135331601 /nfs/dbraw/zinc/33/16/01/135331601.db2.gz IEDGSPRJXMPGSS-SNVBAGLBSA-N 1 0 227.308 0.058 20 30 BCEDRO [NH2+]=C(NC[C@@H](O)c1ccc(F)cc1)N1CCC1 ZINC000263086995 135331703 /nfs/dbraw/zinc/33/17/03/135331703.db2.gz IMHVVVCAHDXSJS-LLVKDONJSA-N 1 0 237.278 0.880 20 30 BCEDRO CCn1nc(C)c(CNC2=[NH+]C[C@H](C)N2)n1 ZINC000263102745 135333005 /nfs/dbraw/zinc/33/30/05/135333005.db2.gz XBGFVHYKKSKUPR-ZETCQYMHSA-N 1 0 222.296 0.044 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1cnn(C)n1 ZINC000263128180 135334815 /nfs/dbraw/zinc/33/48/15/135334815.db2.gz GAUMACHHBHUCSO-ZETCQYMHSA-N 1 0 210.285 0.018 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccnc(N(C)C)n1 ZINC000263129838 135334987 /nfs/dbraw/zinc/33/49/87/135334987.db2.gz GMBOOYRSGRTSLH-UHFFFAOYSA-N 1 0 234.307 0.133 20 30 BCEDRO [NH2+]=C(NCCN1CC=CCC1)NC1CCC1 ZINC000263137928 135335103 /nfs/dbraw/zinc/33/51/03/135335103.db2.gz NWSNOIHYACSSTL-UHFFFAOYSA-N 1 0 222.336 0.705 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2cnn(C)n2)C1 ZINC000263138195 135335161 /nfs/dbraw/zinc/33/51/61/135335161.db2.gz IPUIMCAXLVWLDX-SECBINFHSA-N 1 0 236.323 0.362 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@]2(O)CCCC2(C)C)N1 ZINC000263151083 135335539 /nfs/dbraw/zinc/33/55/39/135335539.db2.gz PKQAVHLSEFONFM-JOYOIKCWSA-N 1 0 225.336 0.865 20 30 BCEDRO [NH2+]=C(NCCN1CC=CCC1)N1CCC1 ZINC000263143423 135335788 /nfs/dbraw/zinc/33/57/88/135335788.db2.gz OMWNORNIMXSIJP-UHFFFAOYSA-N 1 0 208.309 0.269 20 30 BCEDRO C[C@@H]1CC[C@@H](CNC2=[NH+]CCCN2C)O1 ZINC000263174277 135336860 /nfs/dbraw/zinc/33/68/60/135336860.db2.gz SMQQGXSBDZRAAD-ZJUUUORDSA-N 1 0 211.309 0.835 20 30 BCEDRO C[C@H]1CC[C@@H](CNC2=[NH+]CCCN2C)O1 ZINC000263174275 135337111 /nfs/dbraw/zinc/33/71/11/135337111.db2.gz SMQQGXSBDZRAAD-UWVGGRQHSA-N 1 0 211.309 0.835 20 30 BCEDRO Cc1ccnc(CNC(=[NH2+])N2CCC2)c1 ZINC000263170986 135337221 /nfs/dbraw/zinc/33/72/21/135337221.db2.gz RZWRDHMDNOPJOK-UHFFFAOYSA-N 1 0 204.277 0.910 20 30 BCEDRO CCn1cc(CNC(=[NH2+])NC2CCC2)cn1 ZINC000263170130 135337367 /nfs/dbraw/zinc/33/73/67/135337367.db2.gz RWIOZPZUBYOPPI-UHFFFAOYSA-N 1 0 221.308 0.860 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CCC[C@@H]1OC ZINC000263174244 135337409 /nfs/dbraw/zinc/33/74/09/135337409.db2.gz SLEOGHNRJLCEJI-ZJUUUORDSA-N 1 0 211.309 0.892 20 30 BCEDRO [NH2+]=C(NCC1(CO)CCCC1)N1CCC1 ZINC000263185859 135338200 /nfs/dbraw/zinc/33/82/00/135338200.db2.gz UWKKWXKGFLPRBC-UHFFFAOYSA-N 1 0 211.309 0.560 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1nnc(CC)[nH]1 ZINC000263199032 135338666 /nfs/dbraw/zinc/33/86/66/135338666.db2.gz WXQKSTKAMGHDCP-UHFFFAOYSA-N 1 0 222.296 0.348 20 30 BCEDRO C[C@H]1CC[C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)O1 ZINC000263209118 135339400 /nfs/dbraw/zinc/33/94/00/135339400.db2.gz YTJMBKRFCBFGEH-HBNTYKKESA-N 1 0 241.335 0.589 20 30 BCEDRO CN(C)C(=O)CNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000263228152 135341019 /nfs/dbraw/zinc/34/10/19/135341019.db2.gz HFXQYPOUEYBTKE-UHFFFAOYSA-N 1 0 240.351 0.571 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC1CC(F)(F)C1 ZINC000263263418 135343506 /nfs/dbraw/zinc/34/35/06/135343506.db2.gz MYDIFHXODPGGHY-ZCFIWIBFSA-N 1 0 221.251 0.723 20 30 BCEDRO N#CC1CC[NH+]([C@@H]2CCCCNC2=O)CC1 ZINC000079840993 135363345 /nfs/dbraw/zinc/36/33/45/135363345.db2.gz ZRLQPOPUQSGKIA-LLVKDONJSA-N 1 0 221.304 0.891 20 30 BCEDRO CNC(NCc1c(C)nn(C)c1C)=[NH+]C ZINC000266150922 135363455 /nfs/dbraw/zinc/36/34/55/135363455.db2.gz SXZCMLZPRPFOEP-UHFFFAOYSA-N 1 0 209.297 0.332 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCn2cccn2)N1 ZINC000285156349 135372205 /nfs/dbraw/zinc/37/22/05/135372205.db2.gz SERPMTDOFZLVKF-SECBINFHSA-N 1 0 207.281 0.211 20 30 BCEDRO CN1CC[NH+]=C1NCc1ccccc1O ZINC000285207618 135372289 /nfs/dbraw/zinc/37/22/89/135372289.db2.gz WMHOOXKZCVFQTE-UHFFFAOYSA-N 1 0 205.261 0.783 20 30 BCEDRO C#CCNc1nc(NCC)[nH+]c(NCC)n1 ZINC000287085643 135372955 /nfs/dbraw/zinc/37/29/55/135372955.db2.gz UMGINMRJFBCFSK-UHFFFAOYSA-N 1 0 220.280 0.780 20 30 BCEDRO Cc1nnc(CCNC(=[NH2+])NCC(C)C)s1 ZINC000290514482 135374874 /nfs/dbraw/zinc/37/48/74/135374874.db2.gz IUYPRSUKUDQBPI-UHFFFAOYSA-N 1 0 241.364 0.949 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000290675773 135374995 /nfs/dbraw/zinc/37/49/95/135374995.db2.gz ZDLHZMOITDQYHR-KXUCPTDWSA-N 1 0 212.293 0.137 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000294543961 135377956 /nfs/dbraw/zinc/37/79/56/135377956.db2.gz KLAIAZOCEWDFOI-GHMZBOCLSA-N 1 0 226.320 0.823 20 30 BCEDRO N#CCNC(=O)C[NH+]1CCC(CCCO)CC1 ZINC000330830519 135393727 /nfs/dbraw/zinc/39/37/27/135393727.db2.gz XQQVIYPVZNMEFH-UHFFFAOYSA-N 1 0 239.319 0.111 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000331959230 135396807 /nfs/dbraw/zinc/39/68/07/135396807.db2.gz ADVZLNSEULBBIP-SECBINFHSA-N 1 0 245.348 0.302 20 30 BCEDRO CC(C)(C)[NH2+]CCNC(=O)c1nccnc1N ZINC000330609463 135479358 /nfs/dbraw/zinc/47/93/58/135479358.db2.gz SHIMHWLPQVTMAH-UHFFFAOYSA-N 1 0 237.307 0.752 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000281571491 135508083 /nfs/dbraw/zinc/50/80/83/135508083.db2.gz DIQWBEVVORYFGE-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCNC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000334888858 135835393 /nfs/dbraw/zinc/83/53/93/135835393.db2.gz FYEXTRYXAAVHNF-JTQLQIEISA-N 1 0 211.309 0.908 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CCC[NH2+][C@H]1C ZINC000334957820 135850529 /nfs/dbraw/zinc/85/05/29/135850529.db2.gz SKLBEAOZFCQLAD-UWVGGRQHSA-N 1 0 209.293 0.449 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000346332604 135919327 /nfs/dbraw/zinc/91/93/27/135919327.db2.gz IROQJFOWLCRVFL-CYBMUJFWSA-N 1 0 240.347 0.866 20 30 BCEDRO N#Cc1cc(NC(=O)NC2C[NH2+]C2)ccc1F ZINC000335178703 135936778 /nfs/dbraw/zinc/93/67/78/135936778.db2.gz DFDPYZIXFSSGFJ-UHFFFAOYSA-N 1 0 234.234 0.791 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000335294313 136005585 /nfs/dbraw/zinc/00/55/85/136005585.db2.gz FPWFPNTXVIVYOG-UWVGGRQHSA-N 1 0 209.293 0.449 20 30 BCEDRO CC#CCN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000367013119 136014875 /nfs/dbraw/zinc/01/48/75/136014875.db2.gz JBYWMVYGTIMGPR-LBPRGKRZSA-N 1 0 208.305 0.416 20 30 BCEDRO N#Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000335304413 136021883 /nfs/dbraw/zinc/02/18/83/136021883.db2.gz PYHFMIJLQLJMKN-LBPRGKRZSA-N 1 0 244.298 0.719 20 30 BCEDRO C=CCOCCC[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000348172771 136042955 /nfs/dbraw/zinc/04/29/55/136042955.db2.gz ZCIQNPOHGSUGSL-ZDUSSCGKSA-N 1 0 238.331 0.791 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@@H](C)O[C@@H](CO)C1 ZINC000348192811 136049555 /nfs/dbraw/zinc/04/95/55/136049555.db2.gz JGCSWIQQCLJHRV-VXGBXAGGSA-N 1 0 229.320 0.661 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000335399627 136093730 /nfs/dbraw/zinc/09/37/30/136093730.db2.gz LFOMYPGLHAASKK-UWVGGRQHSA-N 1 0 207.277 0.501 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@H]2CCC[C@H]21 ZINC000335399626 136093834 /nfs/dbraw/zinc/09/38/34/136093834.db2.gz LFOMYPGLHAASKK-NXEZZACHSA-N 1 0 207.277 0.501 20 30 BCEDRO CC1CC(C#N)(C(=O)N2CC(C[NH+](C)C)C2)C1 ZINC000382117387 397889693 /nfs/dbraw/zinc/88/96/93/397889693.db2.gz ARLSIINJOWFDIL-UHFFFAOYSA-N 1 0 235.331 0.946 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C(C)C ZINC000491805586 397873610 /nfs/dbraw/zinc/87/36/10/397873610.db2.gz OLLRBFXQVKBMTP-ZRUFSTJUSA-N 1 0 221.304 0.161 20 30 BCEDRO CC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000408021734 397815217 /nfs/dbraw/zinc/81/52/17/397815217.db2.gz SBNWLNCJOYNGLF-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO CC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000408021738 397815234 /nfs/dbraw/zinc/81/52/34/397815234.db2.gz SBNWLNCJOYNGLF-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO COC[C@H](C)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523309 397950655 /nfs/dbraw/zinc/95/06/55/397950655.db2.gz YDVZNJSOEMUEMI-MNOVXSKESA-N 1 0 212.293 0.619 20 30 BCEDRO CC(C)(C#N)c1ccc(C[NH2+]C(CO)CO)cc1 ZINC000594001353 397963782 /nfs/dbraw/zinc/96/37/82/397963782.db2.gz NGNDACSVERRHIG-UHFFFAOYSA-N 1 0 248.326 0.931 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1nccn1CC ZINC000491633798 398050351 /nfs/dbraw/zinc/05/03/51/398050351.db2.gz RWIJNFRLFAMJNK-UHFFFAOYSA-N 1 0 234.303 0.132 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](C)n2ccnc21 ZINC000491535141 398047512 /nfs/dbraw/zinc/04/75/12/398047512.db2.gz AEERLZFVDJVECE-MNOVXSKESA-N 1 0 246.314 0.618 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@H](C)n2ccnc21 ZINC000491535142 398047600 /nfs/dbraw/zinc/04/76/00/398047600.db2.gz AEERLZFVDJVECE-QWRGUYRKSA-N 1 0 246.314 0.618 20 30 BCEDRO CC[C@H](C#N)C(=O)N(C)CC1C[NH+](C)C1 ZINC000598158410 398027522 /nfs/dbraw/zinc/02/75/22/398027522.db2.gz GZXJQKACMJRSBT-SNVBAGLBSA-N 1 0 209.293 0.556 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC000598595190 398031927 /nfs/dbraw/zinc/03/19/27/398031927.db2.gz CRSLYOUCVRTESR-NXEZZACHSA-N 1 0 212.293 0.354 20 30 BCEDRO C=C(C)CCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649684842 398035315 /nfs/dbraw/zinc/03/53/15/398035315.db2.gz DKPGZNCOWBEQHI-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)CC1CC1 ZINC000491632815 398049768 /nfs/dbraw/zinc/04/97/68/398049768.db2.gz RHYWUOLEECAZTJ-UHFFFAOYSA-N 1 0 237.347 0.993 20 30 BCEDRO C[C@@]1(NC(=O)[C@@H]([NH3+])CCCCC#N)CCOC1 ZINC000594439468 397974347 /nfs/dbraw/zinc/97/43/47/397974347.db2.gz QWIFMSIBBXAFJS-CMPLNLGQSA-N 1 0 239.319 0.693 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCCCC ZINC000451597426 397978412 /nfs/dbraw/zinc/97/84/12/397978412.db2.gz ICXNQCDSFRLTRX-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C=C ZINC000451600956 397978444 /nfs/dbraw/zinc/97/84/44/397978444.db2.gz SRKURWACLCECAJ-MXWKQRLJSA-N 1 0 224.304 0.610 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CCCO)C1 ZINC000452133994 397985398 /nfs/dbraw/zinc/98/53/98/397985398.db2.gz TWDXWMUQORGODD-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CC[NH2+][C@@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185873478 398092292 /nfs/dbraw/zinc/09/22/92/398092292.db2.gz FBZYFJVYLAIEFO-NSHDSACASA-N 1 0 236.702 0.959 20 30 BCEDRO N#Cc1nccc(N2CC3CC2(C[NH3+])C3)n1 ZINC000601983263 398062344 /nfs/dbraw/zinc/06/23/44/398062344.db2.gz MOHUXEHZTXCKLC-UHFFFAOYSA-N 1 0 215.260 0.276 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000491766066 398065937 /nfs/dbraw/zinc/06/59/37/398065937.db2.gz DCHAYACFRSJHAP-GUBZILKMSA-N 1 0 211.309 0.775 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1CO[C@H](C)C1 ZINC000328184062 398066614 /nfs/dbraw/zinc/06/66/14/398066614.db2.gz OCYPFLXFGPOEBX-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000491789777 398069622 /nfs/dbraw/zinc/06/96/22/398069622.db2.gz ZGLUBNKMZQYTMO-HBNTYKKESA-N 1 0 221.304 0.307 20 30 BCEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)[C@H]1CCOC1 ZINC000610812651 398071600 /nfs/dbraw/zinc/07/16/00/398071600.db2.gz GIGSGVVTXGAATQ-RYUDHWBXSA-N 1 0 237.347 0.989 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)[C@H](C)c1ccccc1 ZINC000491795871 398071962 /nfs/dbraw/zinc/07/19/62/398071962.db2.gz XRHAWVNQYZNCNZ-BNOWGMLFSA-N 1 0 233.311 0.735 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC1(F)CCC1 ZINC000491815319 398072837 /nfs/dbraw/zinc/07/28/37/398072837.db2.gz PJTHGEYQTKPBLB-UHFFFAOYSA-N 1 0 226.295 0.998 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)[C@@H](O)CC ZINC000491801197 398074284 /nfs/dbraw/zinc/07/42/84/398074284.db2.gz BUQNSDPPCBKQCQ-QWRGUYRKSA-N 1 0 226.320 0.265 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCOC[C@@H]1C ZINC000491801494 398074653 /nfs/dbraw/zinc/07/46/53/398074653.db2.gz CQJLCNHXFMNRKW-NWDGAFQWSA-N 1 0 238.331 0.388 20 30 BCEDRO C#CC(C)(C)[N@H+](C)CC[C@@H]1CCNC1=O ZINC000491637951 398051631 /nfs/dbraw/zinc/05/16/31/398051631.db2.gz XKKIHCDAGXTOIB-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCN(C(=O)NCC[NH2+]CC)C1CC1 ZINC000491655112 398054552 /nfs/dbraw/zinc/05/45/52/398054552.db2.gz BRFLMWZGAQIVRK-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCC[NH2+]CCC ZINC000491667080 398056785 /nfs/dbraw/zinc/05/67/85/398056785.db2.gz XCXONWKJICLIAI-SNVBAGLBSA-N 1 0 211.309 0.649 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[NH2+][C@H](C)C1)C(C)C ZINC000491667249 398056789 /nfs/dbraw/zinc/05/67/89/398056789.db2.gz HYPSTIYXJNKNCL-MNOVXSKESA-N 1 0 223.320 0.648 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)COCC ZINC000491669702 398057275 /nfs/dbraw/zinc/05/72/75/398057275.db2.gz YCPZUAGOXDRMQM-UHFFFAOYSA-N 1 0 240.347 0.778 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1ccc(C#N)nn1 ZINC000611256824 398125866 /nfs/dbraw/zinc/12/58/66/398125866.db2.gz AONOIJOQLFEHBX-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000669362766 487558154 /nfs/dbraw/zinc/55/81/54/487558154.db2.gz GEYCZJQDNRYCSS-AAEUAGOBSA-N 1 0 240.347 0.724 20 30 BCEDRO C#CC(C)(C)NC(=O)C[N@@H+](CC)C1CC1 ZINC000269652526 166111801 /nfs/dbraw/zinc/11/18/01/166111801.db2.gz CIIDTWISAYTGTQ-UHFFFAOYSA-N 1 0 208.305 0.999 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000612520361 487597331 /nfs/dbraw/zinc/59/73/31/487597331.db2.gz XWCILOQHYGBGLM-UTUOFQBUSA-N 1 0 238.331 0.476 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000612520359 487597398 /nfs/dbraw/zinc/59/73/98/487597398.db2.gz XWCILOQHYGBGLM-SRVKXCTJSA-N 1 0 238.331 0.476 20 30 BCEDRO C#CCCC[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000271048484 166130414 /nfs/dbraw/zinc/13/04/14/166130414.db2.gz OVRWJCUOIFBYKH-UHFFFAOYSA-N 1 0 232.331 0.956 20 30 BCEDRO C#CCC[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000270651390 166137274 /nfs/dbraw/zinc/13/72/74/166137274.db2.gz UBBVTDNSBHJBIJ-UHFFFAOYSA-N 1 0 218.304 0.565 20 30 BCEDRO C=CC[C@]1(C(=O)N2CC[C@H](OC)C2)CCC[NH2+]1 ZINC000662612159 409786597 /nfs/dbraw/zinc/78/65/97/409786597.db2.gz NFNOCTYGWWKVFQ-WCQYABFASA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000662628794 409800402 /nfs/dbraw/zinc/80/04/02/409800402.db2.gz USPIGVQPGQIBIZ-VIFPVBQESA-N 1 0 234.303 0.793 20 30 BCEDRO C=CCN(C(=O)[C@@H](N)CC[NH+](C)C)C1CC1 ZINC000653158904 410035934 /nfs/dbraw/zinc/03/59/34/410035934.db2.gz OXCLIUIFCADXGO-NSHDSACASA-N 1 0 225.336 0.442 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000159191836 410451481 /nfs/dbraw/zinc/45/14/81/410451481.db2.gz FHJUKXNJEOLGBA-GRYCIOLGSA-N 1 0 240.347 0.912 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000265523006 166143240 /nfs/dbraw/zinc/14/32/40/166143240.db2.gz IBQMLCAFUPGGCU-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000272274710 166178074 /nfs/dbraw/zinc/17/80/74/166178074.db2.gz YZTNRUSIMKHBBW-WDEREUQCSA-N 1 0 221.304 0.355 20 30 BCEDRO C#CCNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268096162 166181465 /nfs/dbraw/zinc/18/14/65/166181465.db2.gz AVJWMTUDHKOAHU-KOLCDFICSA-N 1 0 221.304 0.402 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCOC1 ZINC000267445401 166181746 /nfs/dbraw/zinc/18/17/46/166181746.db2.gz PYYHKMWKDXMXKF-MNOVXSKESA-N 1 0 224.304 0.093 20 30 BCEDRO C#CCSCC[NH2+]Cc1ccn(C)n1 ZINC000164314019 166202916 /nfs/dbraw/zinc/20/29/16/166202916.db2.gz MCWSNRUQKBZVIX-UHFFFAOYSA-N 1 0 209.318 0.876 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000289577779 166217426 /nfs/dbraw/zinc/21/74/26/166217426.db2.gz SXTUISLNBOBIMH-VIFPVBQESA-N 1 0 204.277 0.654 20 30 BCEDRO C=CCCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000271503643 166235526 /nfs/dbraw/zinc/23/55/26/166235526.db2.gz DKWYSVMWZRAWBH-VIFPVBQESA-N 1 0 214.334 0.855 20 30 BCEDRO C=CCCC[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000272840254 166234387 /nfs/dbraw/zinc/23/43/87/166234387.db2.gz INUZRJJXTUQKOM-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCCCNC(=O)NCC[N@@H+](C)CCOC ZINC000279541821 166238127 /nfs/dbraw/zinc/23/81/27/166238127.db2.gz LXWDFLFDZJEFRS-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=CCC[N@H+](C)CCNS(C)(=O)=O ZINC000265740627 166255624 /nfs/dbraw/zinc/25/56/24/166255624.db2.gz BXZMZUQNTIOOTE-UHFFFAOYSA-N 1 0 206.311 0.044 20 30 BCEDRO C=CCC[N@H+](C)CCCS(N)(=O)=O ZINC000276076929 166256609 /nfs/dbraw/zinc/25/66/09/166256609.db2.gz APPWGINUDIGASQ-UHFFFAOYSA-N 1 0 206.311 0.173 20 30 BCEDRO C=CCCOCCNC(=O)NCC[N@@H+](C)CC ZINC000119034912 166268212 /nfs/dbraw/zinc/26/82/12/166268212.db2.gz CXTBJVDDFAPOLD-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178589142 166272537 /nfs/dbraw/zinc/27/25/37/166272537.db2.gz YUACEAHWKIGCPN-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000268575727 166298368 /nfs/dbraw/zinc/29/83/68/166298368.db2.gz SBMUHTHFVRVZBX-WDEREUQCSA-N 1 0 227.304 0.808 20 30 BCEDRO C=CCC[C@H](O)C[N@H+](C)CCN1CCOCC1 ZINC000305048486 166303904 /nfs/dbraw/zinc/30/39/04/166303904.db2.gz BORXXAGFVRYHCG-ZDUSSCGKSA-N 1 0 242.363 0.578 20 30 BCEDRO C=CCN(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000155291972 166316493 /nfs/dbraw/zinc/31/64/93/166316493.db2.gz FDNBUFDDWRNRDQ-SNVBAGLBSA-N 1 0 211.309 0.908 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000273971940 166327622 /nfs/dbraw/zinc/32/76/22/166327622.db2.gz HRGSHEJUSVCLNS-NWDGAFQWSA-N 1 0 240.347 0.794 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)Cn1cccn1)C1CC1 ZINC000271476317 166346320 /nfs/dbraw/zinc/34/63/20/166346320.db2.gz RYFIHVKZIYGQTQ-LBPRGKRZSA-N 1 0 221.304 0.894 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccnc(C)n1 ZINC000195522655 166348941 /nfs/dbraw/zinc/34/89/41/166348941.db2.gz JCWIJSBRBMMSFH-UHFFFAOYSA-N 1 0 205.265 0.375 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)N(C)CCO)CC1 ZINC000271060799 166352755 /nfs/dbraw/zinc/35/27/55/166352755.db2.gz LBXSGVUZLBWMNL-UHFFFAOYSA-N 1 0 241.335 0.271 20 30 BCEDRO C=CC[NH+]1CCC(Nc2nccn(C)c2=O)CC1 ZINC000266316926 166353698 /nfs/dbraw/zinc/35/36/98/166353698.db2.gz FBQCARIANKKBFF-UHFFFAOYSA-N 1 0 248.330 0.843 20 30 BCEDRO C=CCNC(=O)CN1CCCC[C@H]1CC[NH3+] ZINC000069721231 166364878 /nfs/dbraw/zinc/36/48/78/166364878.db2.gz OCZULTULOVMLJM-NSHDSACASA-N 1 0 225.336 0.492 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000275507178 166368883 /nfs/dbraw/zinc/36/88/83/166368883.db2.gz SBCCQMCBCFQQAN-JTQLQIEISA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H](C)C(=O)OCC ZINC000274131135 166371054 /nfs/dbraw/zinc/37/10/54/166371054.db2.gz YIQYUXREAHOCLG-VHSXEESVSA-N 1 0 242.319 0.466 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CC[C@H](C)C1 ZINC000263680433 166376204 /nfs/dbraw/zinc/37/62/04/166376204.db2.gz ICMKEQHNIPKIEN-VHSXEESVSA-N 1 0 239.319 0.729 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H](C)C1 ZINC000016446164 166376447 /nfs/dbraw/zinc/37/64/47/166376447.db2.gz OSKUJPRYXCMTDO-SNVBAGLBSA-N 1 0 239.319 0.730 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCc2n[nH]cc2C1 ZINC000118854540 166381509 /nfs/dbraw/zinc/38/15/09/166381509.db2.gz NZPYXZCJNSCTIC-SECBINFHSA-N 1 0 234.303 0.459 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CC1CC(O)C1 ZINC000084453934 166381975 /nfs/dbraw/zinc/38/19/75/166381975.db2.gz NSZVMRYADYYNCN-KPPDAEKUSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000300422995 166388292 /nfs/dbraw/zinc/38/82/92/166388292.db2.gz NBGPNTFZQXDYKH-WCQGTBRESA-N 1 0 238.331 0.834 20 30 BCEDRO CC(C)(C)C[NH2+]CCn1cnc(C#N)n1 ZINC000285667143 166589730 /nfs/dbraw/zinc/58/97/30/166589730.db2.gz ZLNUSXVHSWHWKQ-UHFFFAOYSA-N 1 0 207.281 0.785 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H]([NH3+])C(C)C ZINC000309287026 410713319 /nfs/dbraw/zinc/71/33/19/410713319.db2.gz OXPVYTBQTKIPSJ-SNVBAGLBSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCCOCC(=O)NCC(C)(C)[NH3+] ZINC000308839208 410778936 /nfs/dbraw/zinc/77/89/36/410778936.db2.gz MQXMNPCUVWTQIB-UHFFFAOYSA-N 1 0 200.282 0.433 20 30 BCEDRO C=CCCCCCNC(=O)[C@@H]1C[NH2+]CCO1 ZINC000655488526 410791899 /nfs/dbraw/zinc/79/18/99/410791899.db2.gz GLOJQRVSNJZEJX-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO CC(C)NC(=O)CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189597236 167043364 /nfs/dbraw/zinc/04/33/64/167043364.db2.gz PXYQCNSVXQEMKD-UHFFFAOYSA-N 1 0 248.330 0.901 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)C[C@@H]1COCCO1 ZINC000661602734 411017679 /nfs/dbraw/zinc/01/76/79/411017679.db2.gz DYADPWURMZDITN-VXGBXAGGSA-N 1 0 229.320 0.661 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661603802 411025943 /nfs/dbraw/zinc/02/59/43/411025943.db2.gz WGOFULBLAURFQK-GHMZBOCLSA-N 1 0 206.289 0.610 20 30 BCEDRO C[N@H+](C[C@@H](O)CNCC1(C#N)CC1)C1CC1 ZINC000591764697 411130337 /nfs/dbraw/zinc/13/03/37/411130337.db2.gz LXZFTDRWTPYUHH-NSHDSACASA-N 1 0 223.320 0.335 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CC1=CCCOC1 ZINC000661657753 411134418 /nfs/dbraw/zinc/13/44/18/411134418.db2.gz VKVKLCAUPZFAMJ-LLVKDONJSA-N 1 0 238.331 0.956 20 30 BCEDRO C=CCC[NH2+][C@H](C)CS(=O)(=O)CC ZINC000217327674 411142068 /nfs/dbraw/zinc/14/20/68/411142068.db2.gz SLBKBNWMUQPBLF-SECBINFHSA-N 1 0 205.323 0.975 20 30 BCEDRO C=CCCn1cc(CN2CC[C@H]([NH3+])[C@@H]2C)nn1 ZINC000655941588 411160438 /nfs/dbraw/zinc/16/04/38/411160438.db2.gz XNAVAGCJRDSYLC-JQWIXIFHSA-N 1 0 235.335 0.776 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[NH+]1CCCC1 ZINC000665532045 411110369 /nfs/dbraw/zinc/11/03/69/411110369.db2.gz YKWHPXDKVLZMBN-NSHDSACASA-N 1 0 212.293 0.135 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCn2nccc21 ZINC000657954456 411180009 /nfs/dbraw/zinc/18/00/09/411180009.db2.gz ZKJDLUMZSABGTO-SNVBAGLBSA-N 1 0 234.303 0.610 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)Cn1cncn1 ZINC000657970316 411183054 /nfs/dbraw/zinc/18/30/54/411183054.db2.gz AZTIMEXWOVZLIO-SNVBAGLBSA-N 1 0 210.281 0.459 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)Cn1cncn1 ZINC000658038062 411214795 /nfs/dbraw/zinc/21/47/95/411214795.db2.gz LCSAWXLZVUPWJB-WOPDTQHZSA-N 1 0 236.319 0.847 20 30 BCEDRO C=CCOCCNC(=O)N(C)C1CC[NH2+]CC1 ZINC000659608874 411229587 /nfs/dbraw/zinc/22/95/87/411229587.db2.gz CRJWYDIBAMPGDI-UHFFFAOYSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCOCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000652177585 411166608 /nfs/dbraw/zinc/16/66/08/411166608.db2.gz OSMOUDXWVQLTQC-UHFFFAOYSA-N 1 0 241.335 0.617 20 30 BCEDRO C=C(C)C[NH+]1CCC(N=c2nc[nH]n2C)CC1 ZINC000653464914 411282018 /nfs/dbraw/zinc/28/20/18/411282018.db2.gz LOKZNLMHOXCIGG-UHFFFAOYSA-N 1 0 235.335 0.689 20 30 BCEDRO C=CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000656477346 411282759 /nfs/dbraw/zinc/28/27/59/411282759.db2.gz GENODEDSFMODIW-UWVGGRQHSA-N 1 0 222.288 0.690 20 30 BCEDRO C=CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000656477347 411282805 /nfs/dbraw/zinc/28/28/05/411282805.db2.gz GENODEDSFMODIW-VHSXEESVSA-N 1 0 222.288 0.690 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC[C@@]3(O)C[C@H]3C2)C1=O ZINC000661723817 411291896 /nfs/dbraw/zinc/29/18/96/411291896.db2.gz VJUDBEHVYHLYKH-GMXVVIOVSA-N 1 0 236.315 0.230 20 30 BCEDRO C=CCOCCC[NH2+][C@@H](C)Cn1cncn1 ZINC000658204873 411292388 /nfs/dbraw/zinc/29/23/88/411292388.db2.gz CRIRJNXEALVRMG-NSHDSACASA-N 1 0 224.308 0.849 20 30 BCEDRO COCC#CC[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000656539698 411292707 /nfs/dbraw/zinc/29/27/07/411292707.db2.gz MIWVURUDAJCZTR-LLVKDONJSA-N 1 0 212.293 0.126 20 30 BCEDRO C=CCOCCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000658210040 411294633 /nfs/dbraw/zinc/29/46/33/411294633.db2.gz MYSVIODETPDGCO-NSHDSACASA-N 1 0 247.360 0.746 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000658408129 411353575 /nfs/dbraw/zinc/35/35/75/411353575.db2.gz LJYLZQKQZZNWJN-RKDXNWHRSA-N 1 0 236.312 0.263 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CCOC(C)C ZINC000662168285 411370591 /nfs/dbraw/zinc/37/05/91/411370591.db2.gz ADXBWMCIWNFTMH-MNOVXSKESA-N 1 0 217.309 0.299 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCc1cnn(CC)c1 ZINC000662168733 411371650 /nfs/dbraw/zinc/37/16/50/411371650.db2.gz RYWMBYRNMRZUCU-LLVKDONJSA-N 1 0 209.293 0.582 20 30 BCEDRO C=CCOCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000656709136 411336217 /nfs/dbraw/zinc/33/62/17/411336217.db2.gz NHSVUSQBVPWWQO-GFCCVEGCSA-N 1 0 239.319 0.426 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC000662168797 411372041 /nfs/dbraw/zinc/37/20/41/411372041.db2.gz VIKFWGGCCAVAMH-NXEZZACHSA-N 1 0 212.293 0.039 20 30 BCEDRO C=CCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC000656705010 411339734 /nfs/dbraw/zinc/33/97/34/411339734.db2.gz LXRXINIBAFCTLV-NSHDSACASA-N 1 0 229.320 0.709 20 30 BCEDRO CC1(C)C[C@H]([NH2+]CC(=O)NCC#N)C(C)(C)O1 ZINC000119879299 167992073 /nfs/dbraw/zinc/99/20/73/167992073.db2.gz YOHIJJJBFMLLLQ-VIFPVBQESA-N 1 0 239.319 0.562 20 30 BCEDRO C=CCCn1cc(CN2CC[NH+](CC)CC2)nn1 ZINC000653488477 411378501 /nfs/dbraw/zinc/37/85/01/411378501.db2.gz XVLQSECEHKOGGN-UHFFFAOYSA-N 1 0 249.362 0.992 20 30 BCEDRO C=CCOCCCNC(=O)[C@H](C)C[NH2+]C ZINC000659358312 411374398 /nfs/dbraw/zinc/37/43/98/411374398.db2.gz GZTHGPZZVBZDCM-SNVBAGLBSA-N 1 0 214.309 0.551 20 30 BCEDRO C=CCOCCCNC(=O)CC1(C[NH3+])CC1 ZINC000659358687 411374886 /nfs/dbraw/zinc/37/48/86/411374886.db2.gz KQQHHCBYGWZLEP-UHFFFAOYSA-N 1 0 226.320 0.824 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000656864873 411386882 /nfs/dbraw/zinc/38/68/82/411386882.db2.gz VZEDDBYPQXFMEM-NWDGAFQWSA-N 1 0 211.305 0.608 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000656864874 411387229 /nfs/dbraw/zinc/38/72/29/411387229.db2.gz VZEDDBYPQXFMEM-RYUDHWBXSA-N 1 0 211.305 0.608 20 30 BCEDRO C=CCCNC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000659338970 411398324 /nfs/dbraw/zinc/39/83/24/411398324.db2.gz WITCXUMSDJNLOI-SNVBAGLBSA-N 1 0 249.318 0.509 20 30 BCEDRO C=CCN(C(=O)[C@H](C)[NH2+]C)[C@H](C)COC ZINC000659340767 411399539 /nfs/dbraw/zinc/39/95/39/411399539.db2.gz XLLVIYFDWBTRPG-ZJUUUORDSA-N 1 0 214.309 0.644 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000621814300 411399995 /nfs/dbraw/zinc/39/99/95/411399995.db2.gz ITEIPDMQROGPOI-DGCLKSJQSA-N 1 0 240.347 0.912 20 30 BCEDRO C=CCOCCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000659358390 411401435 /nfs/dbraw/zinc/40/14/35/411401435.db2.gz IERLHHIKYRIOFV-GFCCVEGCSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000659383283 411402101 /nfs/dbraw/zinc/40/21/01/411402101.db2.gz SLLXKRPMXSUCPW-VIFPVBQESA-N 1 0 248.273 0.550 20 30 BCEDRO C=CCOCCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000659359754 411402199 /nfs/dbraw/zinc/40/21/99/411402199.db2.gz XOIIHPHFIYRPAQ-GFCCVEGCSA-N 1 0 226.320 0.695 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653056505 411408446 /nfs/dbraw/zinc/40/84/46/411408446.db2.gz JZUFBWMEIKKFII-AAEUAGOBSA-N 1 0 236.315 0.423 20 30 BCEDRO CC#CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659483314 411419944 /nfs/dbraw/zinc/41/99/44/411419944.db2.gz WSEYSJQLTWRMIX-UHFFFAOYSA-N 1 0 221.304 0.451 20 30 BCEDRO C=CCCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000659508723 411424238 /nfs/dbraw/zinc/42/42/38/411424238.db2.gz ARVWKAFBRGJJKY-SNVBAGLBSA-N 1 0 211.309 0.861 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000659514880 411425982 /nfs/dbraw/zinc/42/59/82/411425982.db2.gz FZXOJMHRAZPGRT-LLVKDONJSA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCN(C(=O)NCCC[NH2+]C)[C@@H](C)COC ZINC000659506099 411462917 /nfs/dbraw/zinc/46/29/17/411462917.db2.gz XFEUCSHLKHZSIU-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO C=CCOCCNC(=O)N[C@H](C)CCC[NH3+] ZINC000659552542 411434547 /nfs/dbraw/zinc/43/45/47/411434547.db2.gz HOKMFDAEMCUUOV-SNVBAGLBSA-N 1 0 229.324 0.616 20 30 BCEDRO C=CCCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000659550404 411434730 /nfs/dbraw/zinc/43/47/30/411434730.db2.gz QTVDJOMWSPMEFP-JTQLQIEISA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000122711483 411435084 /nfs/dbraw/zinc/43/50/84/411435084.db2.gz KIDARYKEBBMHMG-QWRGUYRKSA-N 1 0 225.336 0.348 20 30 BCEDRO C=CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000659554023 411435542 /nfs/dbraw/zinc/43/55/42/411435542.db2.gz KPDLPUQMKJFAGX-UWVGGRQHSA-N 1 0 211.309 0.989 20 30 BCEDRO C=CCCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000659561235 411436192 /nfs/dbraw/zinc/43/61/92/411436192.db2.gz HLUOCCXXQODRES-NXEZZACHSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000659563155 411436952 /nfs/dbraw/zinc/43/69/52/411436952.db2.gz PZIIRMOPWCSVMK-UWVGGRQHSA-N 1 0 227.308 0.320 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCC1([NH3+])CCCC1 ZINC000659573172 411438362 /nfs/dbraw/zinc/43/83/62/411438362.db2.gz LXTRXQVLTKOXEE-JTQLQIEISA-N 1 0 241.335 0.494 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000659612336 411441462 /nfs/dbraw/zinc/44/14/62/411441462.db2.gz XEVAGPBTMNSNPC-WDEREUQCSA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000659612334 411441552 /nfs/dbraw/zinc/44/15/52/411441552.db2.gz XEVAGPBTMNSNPC-MNOVXSKESA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCCCN(C)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659751721 411450041 /nfs/dbraw/zinc/45/00/41/411450041.db2.gz JEAHQJVNWGMQEY-SNVBAGLBSA-N 1 0 241.335 0.135 20 30 BCEDRO C=CCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000307760511 411484165 /nfs/dbraw/zinc/48/41/65/411484165.db2.gz WAHAARRTPGEZID-ZETCQYMHSA-N 1 0 204.220 0.533 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@H](C)CCO)nn1 ZINC000657381649 411488002 /nfs/dbraw/zinc/48/80/02/411488002.db2.gz HDEPMOLZSYWTSO-LLVKDONJSA-N 1 0 238.335 0.962 20 30 BCEDRO C=CCN(C(=O)NC/C=C/C[NH3+])[C@H](C)COC ZINC000659544669 411513200 /nfs/dbraw/zinc/51/32/00/411513200.db2.gz VWAGDHBHJRSEGL-MVIFTORASA-N 1 0 241.335 0.734 20 30 BCEDRO Cc1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)n[nH]1 ZINC000594463955 411624716 /nfs/dbraw/zinc/62/47/16/411624716.db2.gz MIAQEDRPTZQSHZ-VIFPVBQESA-N 1 0 235.291 1.068 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H](COC)OC ZINC000660402632 411579869 /nfs/dbraw/zinc/57/98/69/411579869.db2.gz JCXXCBFNCIJXKB-NSHDSACASA-N 1 0 217.309 0.782 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc2n1CCC2 ZINC000657794817 411599583 /nfs/dbraw/zinc/59/95/83/411599583.db2.gz XCCRTMSDPZVAFD-SECBINFHSA-N 1 0 207.277 0.466 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663312752 411621781 /nfs/dbraw/zinc/62/17/81/411621781.db2.gz HQSPCMNNUOWAPZ-VIFPVBQESA-N 1 0 218.322 0.234 20 30 BCEDRO C=C[C@H](CO)NC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000660844109 411657691 /nfs/dbraw/zinc/65/76/91/411657691.db2.gz DUDNVHDTLNOTIR-WDEREUQCSA-N 1 0 241.335 0.174 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000660965113 411688769 /nfs/dbraw/zinc/68/87/69/411688769.db2.gz ZTICUFVEQFSXBS-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661146413 411718643 /nfs/dbraw/zinc/71/86/43/411718643.db2.gz SQCDQWMENRPBNH-NEPJUHHUSA-N 1 0 236.319 0.537 20 30 BCEDRO C=CC[C@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000661380205 411763017 /nfs/dbraw/zinc/76/30/17/411763017.db2.gz CBYTYLMOFJKNBK-JTQLQIEISA-N 1 0 236.319 0.897 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000661388567 411765358 /nfs/dbraw/zinc/76/53/58/411765358.db2.gz BMUQOLHEMOFSLP-NWDGAFQWSA-N 1 0 229.320 0.397 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000661388569 411765930 /nfs/dbraw/zinc/76/59/30/411765930.db2.gz BMUQOLHEMOFSLP-VXGBXAGGSA-N 1 0 229.320 0.397 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H](C)CO ZINC000661433604 411773742 /nfs/dbraw/zinc/77/37/42/411773742.db2.gz LOQQNRCZDMCLGM-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)[C@H](CO)N1CCN(CC(C)C)C(=O)C1 ZINC000663939165 411782567 /nfs/dbraw/zinc/78/25/67/411782567.db2.gz RNOWSPYBTICFOP-LBPRGKRZSA-N 1 0 240.347 0.724 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CCO ZINC000661487735 411785499 /nfs/dbraw/zinc/78/54/99/411785499.db2.gz ICDZJBMRDZBWOX-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661146415 411719465 /nfs/dbraw/zinc/71/94/65/411719465.db2.gz SQCDQWMENRPBNH-RYUDHWBXSA-N 1 0 236.319 0.537 20 30 BCEDRO C=CCCCC[NH2+]C1(C(N)=O)CCOCC1 ZINC000661595799 411810355 /nfs/dbraw/zinc/81/03/55/411810355.db2.gz YZOYULHEGHDWEA-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO CCC#C[C@@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000661619550 411818604 /nfs/dbraw/zinc/81/86/04/411818604.db2.gz ZAZRCPUKFPEKCM-LLVKDONJSA-N 1 0 211.305 0.608 20 30 BCEDRO COCC#CC[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661629057 411823604 /nfs/dbraw/zinc/82/36/04/411823604.db2.gz VUGWMDMONAUIDE-GDNZZTSVSA-N 1 0 211.305 0.585 20 30 BCEDRO C=CCC[N@H+]1CCc2nnc(N)cc2C1 ZINC000368525407 411842055 /nfs/dbraw/zinc/84/20/55/411842055.db2.gz DBENFRZYTYEASA-UHFFFAOYSA-N 1 0 204.277 0.993 20 30 BCEDRO C=CC[N@@H+](CCNS(C)(=O)=O)C(C)(C)C ZINC000661756198 411867357 /nfs/dbraw/zinc/86/73/57/411867357.db2.gz FFBCBNHGIZUPTG-UHFFFAOYSA-N 1 0 234.365 0.822 20 30 BCEDRO C#C[C@@H](C)N(C)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000491617868 411849268 /nfs/dbraw/zinc/84/92/68/411849268.db2.gz CZKSUHMXKBZPAD-SECBINFHSA-N 1 0 242.286 0.702 20 30 BCEDRO CC#CC[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000647933066 411852290 /nfs/dbraw/zinc/85/22/90/411852290.db2.gz ZZQVROICXJTMGL-UHFFFAOYSA-N 1 0 219.292 0.590 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661714370 411856926 /nfs/dbraw/zinc/85/69/26/411856926.db2.gz YMQBVHFBQCBHHO-JFGNBEQYSA-N 1 0 224.304 0.134 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000661839223 411899877 /nfs/dbraw/zinc/89/98/77/411899877.db2.gz OYLMUGUAKWISPX-DCAQKATOSA-N 1 0 238.331 0.570 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CCC(CO)(CO)C1 ZINC000661946665 411916060 /nfs/dbraw/zinc/91/60/60/411916060.db2.gz BRJZDWBQIAVPGB-LLVKDONJSA-N 1 0 211.305 0.465 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000661950340 411918804 /nfs/dbraw/zinc/91/88/04/411918804.db2.gz XJHHWTFMOOTXST-GHMZBOCLSA-N 1 0 241.335 0.317 20 30 BCEDRO Cc1ccncc1Cn1c(N)nc(C#N)c1C#N ZINC000346602603 411935056 /nfs/dbraw/zinc/93/50/56/411935056.db2.gz AMLHBMYOMVZURI-UHFFFAOYSA-N 1 0 238.254 0.960 20 30 BCEDRO C=CC[N@@H+](CCN1C(=O)CNC1=O)C(C)(C)C ZINC000661756906 411869137 /nfs/dbraw/zinc/86/91/37/411869137.db2.gz XGCJRQBGSGSTCY-UHFFFAOYSA-N 1 0 239.319 0.825 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662031911 411941539 /nfs/dbraw/zinc/94/15/39/411941539.db2.gz GPOPERWUPGNTDX-VXGBXAGGSA-N 1 0 209.289 0.605 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000661775351 411883826 /nfs/dbraw/zinc/88/38/26/411883826.db2.gz YBPTZISKOCCTAO-VHSXEESVSA-N 1 0 212.293 0.134 20 30 BCEDRO N#Cc1nc(N)n(CC[C@H]2CCC[NH2+]C2)c1C#N ZINC000564925974 411973698 /nfs/dbraw/zinc/97/36/98/411973698.db2.gz DFQOJRPXIIUGMT-SECBINFHSA-N 1 0 244.302 0.598 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC2(COC2)C1 ZINC000662076889 411979748 /nfs/dbraw/zinc/97/97/48/411979748.db2.gz XUQONCGRYAKBFF-JTQLQIEISA-N 1 0 224.304 0.399 20 30 BCEDRO COCC#CC[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662143254 412004308 /nfs/dbraw/zinc/00/43/08/412004308.db2.gz LJNNPZKOFQCIGP-NWDGAFQWSA-N 1 0 211.305 0.587 20 30 BCEDRO C=CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662154987 412009112 /nfs/dbraw/zinc/00/91/12/412009112.db2.gz HXIHFIGYTALLOO-LBPRGKRZSA-N 1 0 210.321 0.703 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662147971 412009895 /nfs/dbraw/zinc/00/98/95/412009895.db2.gz XNAKDNTVUNUXPT-WOPDTQHZSA-N 1 0 213.321 0.874 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1C[C@@H](C)C[C@H](C)C1 ZINC000662163433 412012991 /nfs/dbraw/zinc/01/29/91/412012991.db2.gz AMKCPNQGGJZXIJ-SDDRHHMPSA-N 1 0 240.347 0.627 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1 ZINC000662163792 412014697 /nfs/dbraw/zinc/01/46/97/412014697.db2.gz KUZPCSJHINVDRB-NEPJUHHUSA-N 1 0 237.299 0.563 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCCC[C@@H]1C ZINC000662165935 412014878 /nfs/dbraw/zinc/01/48/78/412014878.db2.gz QMCWCDSIWYWYDV-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NC(C)(C)CC ZINC000662165619 412015090 /nfs/dbraw/zinc/01/50/90/412015090.db2.gz LGXAQWWFYOZVDD-VHSXEESVSA-N 1 0 228.336 0.816 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NCCC ZINC000662165226 412015144 /nfs/dbraw/zinc/01/51/44/412015144.db2.gz AREREDIPFSJTER-DTWKUNHWSA-N 1 0 200.282 0.038 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)COCc1ccco1 ZINC000662167758 412015569 /nfs/dbraw/zinc/01/55/69/412015569.db2.gz OTNVIYCTPFFSQB-GHMZBOCLSA-N 1 0 241.287 0.294 20 30 BCEDRO C=C[C@H](CO)N[C@@H](C)c1nc(C)cc(=O)[nH]1 ZINC000662168385 412016726 /nfs/dbraw/zinc/01/67/26/412016726.db2.gz DHXJJEXDCIAPCR-DTWKUNHWSA-N 1 0 223.276 0.688 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(CC)CC(=C)C ZINC000662167991 412016824 /nfs/dbraw/zinc/01/68/24/412016824.db2.gz XABICZTURAIGHH-LLVKDONJSA-N 1 0 226.320 0.548 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCO[C@@H]1CC1(F)F ZINC000662169499 412017724 /nfs/dbraw/zinc/01/77/24/412017724.db2.gz NACMVIXAUFRGRJ-HTQZYQBOSA-N 1 0 207.220 0.547 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCc1nnn(C(C)(C)C)n1 ZINC000662169581 412017785 /nfs/dbraw/zinc/01/77/85/412017785.db2.gz NYTOIIBDIMJUEM-SECBINFHSA-N 1 0 239.323 0.107 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662040845 411957706 /nfs/dbraw/zinc/95/77/06/411957706.db2.gz SGMZAVCVSRLILE-QWRGUYRKSA-N 1 0 224.304 0.257 20 30 BCEDRO CC[C@H](C(=O)Nc1n[nH]c(C)c1C#N)[NH+](C)C ZINC000287748854 171234157 /nfs/dbraw/zinc/23/41/57/171234157.db2.gz CSONNCVZLKFXOL-SECBINFHSA-N 1 0 235.291 0.869 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1CNc1nc(C)nc(N)n1 ZINC000631263147 412089715 /nfs/dbraw/zinc/08/97/15/412089715.db2.gz XSFVEVQKINAJJO-VHSXEESVSA-N 1 0 249.318 0.577 20 30 BCEDRO C=CCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662349347 412120460 /nfs/dbraw/zinc/12/04/60/412120460.db2.gz VSRNHMOPGWWWDT-MRVPVSSYSA-N 1 0 220.276 0.402 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000665201690 412134191 /nfs/dbraw/zinc/13/41/91/412134191.db2.gz JAIJRLZERBLBGT-CHWSQXEVSA-N 1 0 248.326 0.952 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@@H](C)COC)CCC[NH2+]1 ZINC000662437806 412175157 /nfs/dbraw/zinc/17/51/57/412175157.db2.gz VEQOMTWOZYEIKV-CMPLNLGQSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CC[C@@]1(C(=O)N[C@H](C)COC)CCC[NH2+]1 ZINC000662437808 412175281 /nfs/dbraw/zinc/17/52/81/412175281.db2.gz VEQOMTWOZYEIKV-PWSUYJOCSA-N 1 0 226.320 0.836 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000665270707 412214371 /nfs/dbraw/zinc/21/43/71/412214371.db2.gz UXAPFNWFFNJQJU-RYUDHWBXSA-N 1 0 211.305 0.729 20 30 BCEDRO C=CCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000665237838 412178465 /nfs/dbraw/zinc/17/84/65/412178465.db2.gz KYADOZJJYWQKCT-NWDGAFQWSA-N 1 0 210.321 0.919 20 30 BCEDRO C=CC[C@]1(C(=O)NCc2ccnn2C)CCC[NH2+]1 ZINC000662493099 412193807 /nfs/dbraw/zinc/19/38/07/412193807.db2.gz FGFLGRQNTVMDEO-CYBMUJFWSA-N 1 0 248.330 0.735 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(C#N)nn2)C1 ZINC000594592836 412194587 /nfs/dbraw/zinc/19/45/87/412194587.db2.gz YVKVBWZTWKNMFF-HOMQSWHASA-N 1 0 231.303 1.100 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccc(C#N)c(N)n2)C1 ZINC000594591235 412197274 /nfs/dbraw/zinc/19/72/74/412197274.db2.gz ILPISILNMBBRSZ-HOMQSWHASA-N 1 0 245.330 1.288 20 30 BCEDRO CC#CCC[NH2+]CCC(=O)Nc1cc(C)on1 ZINC000566132641 412146301 /nfs/dbraw/zinc/14/63/01/412146301.db2.gz VTAYSQDHGKAQRM-UHFFFAOYSA-N 1 0 235.287 1.315 20 30 BCEDRO Cn1cncc1CCNc1cc(C#N)ncn1 ZINC000401773723 412155491 /nfs/dbraw/zinc/15/54/91/412155491.db2.gz LEBNPXMDIHPQFA-UHFFFAOYSA-N 1 0 228.259 0.736 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662433661 412171289 /nfs/dbraw/zinc/17/12/89/412171289.db2.gz NXSAUHQWRQIPEG-QWRGUYRKSA-N 1 0 224.304 0.551 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662433659 412171859 /nfs/dbraw/zinc/17/18/59/412171859.db2.gz NXSAUHQWRQIPEG-GHMZBOCLSA-N 1 0 224.304 0.551 20 30 BCEDRO C[C@H]1CCC[N@H+](CCNc2cc(C#N)cnn2)C1 ZINC000596077954 412256344 /nfs/dbraw/zinc/25/63/44/412256344.db2.gz WZLLQTCMUOTASG-NSHDSACASA-N 1 0 245.330 1.492 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000662663830 412262012 /nfs/dbraw/zinc/26/20/12/412262012.db2.gz KMQYSAQFZIABMS-LLVKDONJSA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000662663470 412262285 /nfs/dbraw/zinc/26/22/85/412262285.db2.gz HRFWFLKLWODLHD-WDEREUQCSA-N 1 0 226.320 0.823 20 30 BCEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1Nc1cc(C#N)cnn1 ZINC000596161302 412266611 /nfs/dbraw/zinc/26/66/11/412266611.db2.gz HCAMIULDWTWOQY-JOYOIKCWSA-N 1 0 243.314 1.243 20 30 BCEDRO C[C@H]1C[C@H](Nc2ccc(C#N)c(N)n2)CC[NH2+]1 ZINC000596015751 412270266 /nfs/dbraw/zinc/27/02/66/412270266.db2.gz HWLBLHFQNDQQOX-WCBMZHEXSA-N 1 0 231.303 1.088 20 30 BCEDRO C=CC[C@]1(C(=O)NCc2nccn2C)CCC[NH2+]1 ZINC000662718393 412282120 /nfs/dbraw/zinc/28/21/20/412282120.db2.gz ZOGDFBPHAGUHRQ-CYBMUJFWSA-N 1 0 248.330 0.735 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC(C)(C)[NH+](C)C ZINC000665357246 412284946 /nfs/dbraw/zinc/28/49/46/412284946.db2.gz ILNXCGDPHZKELV-NSHDSACASA-N 1 0 214.309 0.380 20 30 BCEDRO C=CC1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662593681 412233669 /nfs/dbraw/zinc/23/36/69/412233669.db2.gz MUHBKETZDJMJBQ-NEPJUHHUSA-N 1 0 238.331 0.775 20 30 BCEDRO C=CCOCC(=O)N(C)CC(C)(C)[NH3+] ZINC000662608602 412238425 /nfs/dbraw/zinc/23/84/25/412238425.db2.gz NOYCLANBDRKEIE-UHFFFAOYSA-N 1 0 200.282 0.385 20 30 BCEDRO C=CCCOCC(=O)N(C)CC(C)(C)[NH3+] ZINC000662608688 412240072 /nfs/dbraw/zinc/24/00/72/412240072.db2.gz PMAWXNNKIIFHMD-UHFFFAOYSA-N 1 0 214.309 0.775 20 30 BCEDRO C[N@H+]1CC=C(CNc2ccc(C#N)c(N)n2)CC1 ZINC000577293119 412244262 /nfs/dbraw/zinc/24/42/62/412244262.db2.gz LRUIGPQMZGBDAT-UHFFFAOYSA-N 1 0 243.314 1.209 20 30 BCEDRO C=CCCNC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000662625822 412245914 /nfs/dbraw/zinc/24/59/14/412245914.db2.gz BXKDNGLUNARCNA-FGWVZKOKSA-N 1 0 236.315 0.493 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000594468491 412251392 /nfs/dbraw/zinc/25/13/92/412251392.db2.gz NECASCCHDKSQOK-BXKDBHETSA-N 1 0 245.286 0.610 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000594468492 412251480 /nfs/dbraw/zinc/25/14/80/412251480.db2.gz NECASCCHDKSQOK-CABZTGNLSA-N 1 0 245.286 0.610 20 30 BCEDRO C=CC[C@@]1(C(=O)NCCc2nnc[nH]2)CCC[NH2+]1 ZINC000662636081 412252184 /nfs/dbraw/zinc/25/21/84/412252184.db2.gz OLYLVRYMKQBAJZ-LBPRGKRZSA-N 1 0 249.318 0.162 20 30 BCEDRO C=CC[C@@H]1CCCN(C(=O)COCC[NH3+])C1 ZINC000662635585 412252896 /nfs/dbraw/zinc/25/28/96/412252896.db2.gz MJOYGTWGDALDLN-LLVKDONJSA-N 1 0 226.320 0.776 20 30 BCEDRO Cc1cc(NC(=O)NC[C@@H](C)[NH+](C)C)nn1C ZINC000331266439 412321247 /nfs/dbraw/zinc/32/12/47/412321247.db2.gz QJLNWQZHOCMWMA-SECBINFHSA-N 1 0 239.323 1.005 20 30 BCEDRO C=CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H](C)COC ZINC000662854714 412324623 /nfs/dbraw/zinc/32/46/23/412324623.db2.gz NCYBGJNWJJOQMT-NNYUYHANSA-N 1 0 238.331 0.501 20 30 BCEDRO C=CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H](C)COC ZINC000662856145 412325468 /nfs/dbraw/zinc/32/54/68/412325468.db2.gz ZVLFCKJRRQNLRP-WDEREUQCSA-N 1 0 242.319 0.024 20 30 BCEDRO C=CCN(C(=O)C[C@@H](C[NH3+])OC)[C@H](C)COC ZINC000662855880 412325894 /nfs/dbraw/zinc/32/58/94/412325894.db2.gz WKTFFIIZXIKLNH-MNOVXSKESA-N 1 0 244.335 0.400 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662872650 412330577 /nfs/dbraw/zinc/33/05/77/412330577.db2.gz IHAVZEAKHAOWQC-MXWKQRLJSA-N 1 0 224.304 0.446 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662872151 412331222 /nfs/dbraw/zinc/33/12/22/412331222.db2.gz BVNHKNRILZKXBK-QWRGUYRKSA-N 1 0 242.319 0.059 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCCC[NH+]1CCCCC1 ZINC000665487755 412335556 /nfs/dbraw/zinc/33/55/56/412335556.db2.gz KNASVIBLOXFGJL-CYBMUJFWSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCCC[NH+]1CCCC1 ZINC000665488740 412336753 /nfs/dbraw/zinc/33/67/53/412336753.db2.gz XTYBUBMDQPKVLZ-LBPRGKRZSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000665520136 412344277 /nfs/dbraw/zinc/34/42/77/412344277.db2.gz MTFHQFVMIBUGAG-GFCCVEGCSA-N 1 0 247.298 0.277 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CCC[NH2+]CC1 ZINC000662921423 412346199 /nfs/dbraw/zinc/34/61/99/412346199.db2.gz NOYABUPCRKPXQJ-LLVKDONJSA-N 1 0 226.320 0.695 20 30 BCEDRO C=CCCN(C)C(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000662942382 412351138 /nfs/dbraw/zinc/35/11/38/412351138.db2.gz WUYWZHBMZLDTTR-UHFFFAOYSA-N 1 0 241.335 0.217 20 30 BCEDRO C=CC[C@]1(C(=O)NCC(F)(F)CN)CCC[NH2+]1 ZINC000662767075 412296288 /nfs/dbraw/zinc/29/62/88/412296288.db2.gz RKOVENCWRVGZTP-SNVBAGLBSA-N 1 0 247.289 0.395 20 30 BCEDRO C=CC[C@]1(C(=O)NCc2c[nH]cn2)CCC[NH2+]1 ZINC000662790656 412304034 /nfs/dbraw/zinc/30/40/34/412304034.db2.gz DYMDWUSBDKMYJO-GFCCVEGCSA-N 1 0 234.303 0.724 20 30 BCEDRO C=CC[C@@]1(C(=O)N[C@H]2CCOC2)CCC[NH2+]1 ZINC000662791572 412304320 /nfs/dbraw/zinc/30/43/20/412304320.db2.gz BGUNUXKRDIHRLN-JQWIXIFHSA-N 1 0 224.304 0.590 20 30 BCEDRO C=CCOCCCC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663011460 412370010 /nfs/dbraw/zinc/37/00/10/412370010.db2.gz VAZAMQNKUDTUOR-LBPRGKRZSA-N 1 0 226.320 0.837 20 30 BCEDRO CN(C)C(=O)CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000054828043 172360053 /nfs/dbraw/zinc/36/00/53/172360053.db2.gz BQHHYQLPYLKQRW-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[NH+](C)CCCCNC(=O)c1cc(C#N)c[nH]1 ZINC000267328229 172429083 /nfs/dbraw/zinc/42/90/83/172429083.db2.gz QVGAPQRAEKIYPD-UHFFFAOYSA-N 1 0 234.303 0.958 20 30 BCEDRO CN(CC[NH+](C)C)c1cc(C#N)ccn1 ZINC000110895373 172453877 /nfs/dbraw/zinc/45/38/77/172453877.db2.gz PPMGRVPPPVWLEK-UHFFFAOYSA-N 1 0 204.277 0.951 20 30 BCEDRO C[NH+](C)CCNC(=O)c1cc(C#N)ccn1 ZINC000259008261 172460776 /nfs/dbraw/zinc/46/07/76/172460776.db2.gz QYSLSYCYADKOGF-UHFFFAOYSA-N 1 0 218.260 0.245 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(C(=O)NCCCC#N)C1 ZINC000362072591 172496201 /nfs/dbraw/zinc/49/62/01/172496201.db2.gz OWNJNXOZJVCDOZ-LLVKDONJSA-N 1 0 238.335 0.883 20 30 BCEDRO C[NH+](C)[C@H]1CCN(c2cnc(C#N)cn2)C1 ZINC000071179078 172540208 /nfs/dbraw/zinc/54/02/08/172540208.db2.gz LWLMRUGRRDJBTP-JTQLQIEISA-N 1 0 217.276 0.489 20 30 BCEDRO C[N@@H+]1CCC[C@H](CNC(=O)C(C)(C)C#N)C1 ZINC000044752896 173041307 /nfs/dbraw/zinc/04/13/07/173041307.db2.gz RTWICRPLPLHVAF-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C[NH+]1CCN(CCNc2cnccc2C#N)CC1 ZINC000135787189 173081879 /nfs/dbraw/zinc/08/18/79/173081879.db2.gz RUOCSDGUZYHVBA-UHFFFAOYSA-N 1 0 245.330 0.613 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000175389124 173114375 /nfs/dbraw/zinc/11/43/75/173114375.db2.gz BUBOZTQYBLXVAG-VIFPVBQESA-N 1 0 232.287 0.568 20 30 BCEDRO C[N@@H+]1CC[C@@]2(CCN(c3nccnc3C#N)C2)C1 ZINC000292283282 173141522 /nfs/dbraw/zinc/14/15/22/173141522.db2.gz MMAPACLJZUNJQR-CYBMUJFWSA-N 1 0 243.314 0.880 20 30 BCEDRO CN(C[C@@H](C#N)CCC#N)[C@H]1CCN(C)C1=O ZINC000352668729 173148394 /nfs/dbraw/zinc/14/83/94/173148394.db2.gz UPUGXFDOZNOJIF-MNOVXSKESA-N 1 0 234.303 0.592 20 30 BCEDRO C[N@@H+]1CC[C@](O)(CNCc2cccc(C#N)c2)C1 ZINC000358166861 173165881 /nfs/dbraw/zinc/16/58/81/173165881.db2.gz PKPIBNZYSSHUTF-AWEZNQCLSA-N 1 0 245.326 0.714 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3ccncc3C#N)C[C@H]2C1 ZINC000368552034 173199897 /nfs/dbraw/zinc/19/98/97/173199897.db2.gz VMGXAOCHEZMGET-TXEJJXNPSA-N 1 0 228.299 0.951 20 30 BCEDRO CNC(=O)C(C)(C)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191451392 173219572 /nfs/dbraw/zinc/21/95/72/173219572.db2.gz MBKZYJSVCOIDDP-UHFFFAOYSA-N 1 0 248.330 0.759 20 30 BCEDRO CNC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000037224857 173277704 /nfs/dbraw/zinc/27/77/04/173277704.db2.gz RJYCAHWXFFHCCS-VIFPVBQESA-N 1 0 217.272 0.955 20 30 BCEDRO CNC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000037254152 173278485 /nfs/dbraw/zinc/27/84/85/173278485.db2.gz MISKZCVAWQRCNB-SECBINFHSA-N 1 0 217.272 0.955 20 30 BCEDRO CNC(=O)[C@@H](C)[NH2+]Cc1ccc(C#N)cc1 ZINC000037749162 173294976 /nfs/dbraw/zinc/29/49/76/173294976.db2.gz VSXRCDGLOBFWSS-SECBINFHSA-N 1 0 217.272 0.782 20 30 BCEDRO CNC(=O)[C@@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000338994732 173297633 /nfs/dbraw/zinc/29/76/33/173297633.db2.gz IGKUQZWMWUBISY-LLVKDONJSA-N 1 0 239.319 0.375 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)CCOCCC#N ZINC000339012259 173301247 /nfs/dbraw/zinc/30/12/47/173301247.db2.gz WUJHXKPHJXDWBI-SNVBAGLBSA-N 1 0 227.308 0.231 20 30 BCEDRO COCC1(O)CN(Cc2ccc(C#N)cc2)C1 ZINC000297382777 174113046 /nfs/dbraw/zinc/11/30/46/174113046.db2.gz JSUYAPWBPLHUEP-UHFFFAOYSA-N 1 0 232.283 0.751 20 30 BCEDRO COCCOCC[NH2+]Cc1ccc(C#N)o1 ZINC000135483224 174357146 /nfs/dbraw/zinc/35/71/46/174357146.db2.gz ONNBWGTWXUBEPO-UHFFFAOYSA-N 1 0 224.260 0.904 20 30 BCEDRO COc1ccc(C[N@H+](C)CCO)cc1C#N ZINC000083730337 175095048 /nfs/dbraw/zinc/09/50/48/175095048.db2.gz HOGNPBKXQDKZOW-UHFFFAOYSA-N 1 0 220.272 0.991 20 30 BCEDRO COc1ccc(C[NH2+]CCO)cc1C#N ZINC000083729963 175106601 /nfs/dbraw/zinc/10/66/01/175106601.db2.gz HHHUPDMKQQLPGX-UHFFFAOYSA-N 1 0 206.245 0.649 20 30 BCEDRO COc1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1C#N ZINC000295406252 175110029 /nfs/dbraw/zinc/11/00/29/175110029.db2.gz BRDXBYSZETXHEO-VXGBXAGGSA-N 1 0 248.282 0.416 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(C#N)c[nH]1 ZINC000267275812 175670335 /nfs/dbraw/zinc/67/03/35/175670335.db2.gz WOHRMFCMJAQLCW-VIFPVBQESA-N 1 0 234.303 0.956 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H]2COC3(CCCC3)O2)N1 ZINC000262669170 176322563 /nfs/dbraw/zinc/32/25/63/176322563.db2.gz QENVRSFVAYYXLT-ZJUUUORDSA-N 1 0 239.319 0.609 20 30 BCEDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1cnc(C#N)cn1 ZINC000129527358 176458753 /nfs/dbraw/zinc/45/87/53/176458753.db2.gz NBRWDQVFSUZATP-WPRPVWTQSA-N 1 0 217.276 0.901 20 30 BCEDRO C[C@H]1CN(C(=O)c2ccc(C#N)cc2)CC[NH2+]1 ZINC000088059135 177226060 /nfs/dbraw/zinc/22/60/60/177226060.db2.gz LAQASJHDPUNVJP-JTQLQIEISA-N 1 0 229.283 0.992 20 30 BCEDRO C[NH+](C)CCOCCNC(=O)NCCCC#N ZINC000471638202 225067338 /nfs/dbraw/zinc/06/73/38/225067338.db2.gz QYKRNOQNFBCXND-UHFFFAOYSA-N 1 0 242.323 0.168 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)NCC1(C#N)CC1 ZINC000493322316 226185811 /nfs/dbraw/zinc/18/58/11/226185811.db2.gz NGXFTJNNIJRICD-ARJAWSKDSA-N 1 0 207.277 0.524 20 30 BCEDRO C[C@H](C#N)OCCN1CCN2C(=O)OC[C@@H]2C1 ZINC000496779857 226313996 /nfs/dbraw/zinc/31/39/96/226313996.db2.gz CFPKUKYBHXOXNZ-ZJUUUORDSA-N 1 0 239.275 0.051 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000668329474 487652456 /nfs/dbraw/zinc/65/24/56/487652456.db2.gz XNKOUWXPAQQFFC-ONGXEEELSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H](O)C2CC2)CC1 ZINC000668369024 487657956 /nfs/dbraw/zinc/65/79/56/487657956.db2.gz MOTXTUUQSVFVKN-GFCCVEGCSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000668369905 487657982 /nfs/dbraw/zinc/65/79/82/487657982.db2.gz IBYUYSHRYFRZLA-GFCCVEGCSA-N 1 0 238.331 0.690 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](O)C2CC2)CC1 ZINC000668369025 487657993 /nfs/dbraw/zinc/65/79/93/487657993.db2.gz MOTXTUUQSVFVKN-LBPRGKRZSA-N 1 0 238.331 0.524 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH+](C)C ZINC000294416343 262756303 /nfs/dbraw/zinc/75/63/03/262756303.db2.gz PNHGWRCMUQXXRM-NXEZZACHSA-N 1 0 212.293 0.091 20 30 BCEDRO CN(C)C(=O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404106404 229371897 /nfs/dbraw/zinc/37/18/97/229371897.db2.gz HVPDDXRUYKSIRE-UHFFFAOYSA-N 1 0 235.262 0.875 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)N[C@@H](C)C[NH2+]C ZINC000659644828 487695359 /nfs/dbraw/zinc/69/53/59/487695359.db2.gz ZPMQSGUGNLYYFP-UWVGGRQHSA-N 1 0 229.324 0.221 20 30 BCEDRO N#CC[C@]1(O)CC[N@@H+](Cc2ccnc(N)c2)C1 ZINC000592151545 487719973 /nfs/dbraw/zinc/71/99/73/487719973.db2.gz NGAHIPAROQAKPO-LBPRGKRZSA-N 1 0 232.287 0.514 20 30 BCEDRO N#Cc1ccc(CNC[C@@H]2COCC[NH2+]2)o1 ZINC000530246732 268233419 /nfs/dbraw/zinc/23/34/19/268233419.db2.gz JSFMLDYBHKKNAO-SECBINFHSA-N 1 0 221.260 0.229 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)CC(=O)NCC ZINC000675488490 487739733 /nfs/dbraw/zinc/73/97/33/487739733.db2.gz LZZRAHWPTMFMOB-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000666427720 487806745 /nfs/dbraw/zinc/80/67/45/487806745.db2.gz BMSZRZQNERURRD-YPMHNXCESA-N 1 0 240.347 0.772 20 30 BCEDRO CC1(C#N)CC[NH+](CCC(=O)NC(N)=O)CC1 ZINC000408158118 487816932 /nfs/dbraw/zinc/81/69/32/487816932.db2.gz ITTNFRIINDUOOZ-UHFFFAOYSA-N 1 0 238.291 0.197 20 30 BCEDRO C#C[C@H](C)NC(=O)NC(C)(C)C[NH+](C)C ZINC000820399652 587046158 /nfs/dbraw/zinc/04/61/58/587046158.db2.gz HZEKWGDWSYJDRJ-VIFPVBQESA-N 1 0 211.309 0.648 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000668101242 487838483 /nfs/dbraw/zinc/83/84/83/487838483.db2.gz KGWMJYQXXRJMDG-NSHDSACASA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCOCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655510088 487838515 /nfs/dbraw/zinc/83/85/15/487838515.db2.gz LVFZAMYEWBVPCE-ZCFIWIBFSA-N 1 0 226.198 0.195 20 30 BCEDRO CCCN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852810926 588704746 /nfs/dbraw/zinc/70/47/46/588704746.db2.gz YTSXEGSXRXQCOR-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=CC[C@@H](C)[N@H+](C)CCS(N)(=O)=O ZINC000880085238 590921558 /nfs/dbraw/zinc/92/15/58/590921558.db2.gz GJOCRJMSENXDHW-MRVPVSSYSA-N 1 0 206.311 0.171 20 30 BCEDRO C[C@@H](CCO)[NH2+]Cc1nc(C#N)cs1 ZINC000308720364 487852497 /nfs/dbraw/zinc/85/24/97/487852497.db2.gz CXDBZDJJYWZLJW-ZETCQYMHSA-N 1 0 211.290 0.875 20 30 BCEDRO C=CCC[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1OC ZINC000668507615 487863229 /nfs/dbraw/zinc/86/32/29/487863229.db2.gz PNYPMUIOXLWCEU-AXFHLTTASA-N 1 0 247.360 0.743 20 30 BCEDRO C=CCSCCNC(=O)N(CC)CC[NH3+] ZINC000599910459 640966420 /nfs/dbraw/zinc/96/64/20/640966420.db2.gz RTEHYJIIKOLBHD-UHFFFAOYSA-N 1 0 231.365 0.896 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000042244934 641549012 /nfs/dbraw/zinc/54/90/12/641549012.db2.gz SQZQXYORQYVZSG-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO COCC#CC[N@@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000677133348 487892766 /nfs/dbraw/zinc/89/27/66/487892766.db2.gz RTNXEYXBUMDSCD-GHMZBOCLSA-N 1 0 224.304 0.222 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000682089483 487908855 /nfs/dbraw/zinc/90/88/55/487908855.db2.gz PZSZDNQZDLCXCM-LLVKDONJSA-N 1 0 211.305 0.729 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@H](C)C1 ZINC000669065405 487925582 /nfs/dbraw/zinc/92/55/82/487925582.db2.gz MELBXHVHPPABEN-WOPDTQHZSA-N 1 0 240.347 0.865 20 30 BCEDRO C=CCCCC[NH+]1CCN(CCO)CC1 ZINC000569555600 322970079 /nfs/dbraw/zinc/97/00/79/322970079.db2.gz KEZUQMZRSULVIW-UHFFFAOYSA-N 1 0 212.337 0.953 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000668574908 487957168 /nfs/dbraw/zinc/95/71/68/487957168.db2.gz DQCNVSQAIMOYSU-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO CC[N@@H+]1CCN(c2cc(C#N)ncn2)[C@H](C)C1 ZINC000561356753 323000232 /nfs/dbraw/zinc/00/02/32/323000232.db2.gz AHENTYJVSUOVAA-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO COC[C@@H](O)C[NH2+]CC1CCC(C#N)CC1 ZINC000564724148 323008736 /nfs/dbraw/zinc/00/87/36/323008736.db2.gz VVZOVDFJWNHBAJ-MCIGGMRASA-N 1 0 226.320 0.913 20 30 BCEDRO C[C@@H](C#N)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000562342816 323017195 /nfs/dbraw/zinc/01/71/95/323017195.db2.gz TUQJZQPFHFSVCY-GXSJLCMTSA-N 1 0 221.304 0.889 20 30 BCEDRO C=CCOc1cccnc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000572719593 323036315 /nfs/dbraw/zinc/03/63/15/323036315.db2.gz DZJNWEPUJXDOCI-SNVBAGLBSA-N 1 0 247.298 0.820 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000569808569 323041025 /nfs/dbraw/zinc/04/10/25/323041025.db2.gz WJZQVRRBPHDZMV-MXWKQRLJSA-N 1 0 243.351 0.596 20 30 BCEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCCC[NH3+] ZINC000569820404 323041772 /nfs/dbraw/zinc/04/17/72/323041772.db2.gz NTCKGSSFWLKIBE-SNVBAGLBSA-N 1 0 247.298 0.791 20 30 BCEDRO COCC[N@H+](C)CCNC[C@H](C#N)CCC#N ZINC000569837402 323042148 /nfs/dbraw/zinc/04/21/48/323042148.db2.gz PNDQIGWZAYSRJJ-LBPRGKRZSA-N 1 0 238.335 0.598 20 30 BCEDRO N#Cc1ncc(OCC[C@@H]2CC[NH2+]C2)cn1 ZINC000569924967 323044771 /nfs/dbraw/zinc/04/47/71/323044771.db2.gz TXSFYBDZJCJOEZ-VIFPVBQESA-N 1 0 218.260 0.727 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCSC1 ZINC000562965704 323049333 /nfs/dbraw/zinc/04/93/33/323049333.db2.gz UJJKOIRUMBDMBH-RKDXNWHRSA-N 1 0 227.333 0.629 20 30 BCEDRO C[C@@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(C#N)o1 ZINC000570108482 323050305 /nfs/dbraw/zinc/05/03/05/323050305.db2.gz YTKSUWMYTBWCSC-RQJHMYQMSA-N 1 0 243.288 0.165 20 30 BCEDRO N#CCC[NH2+][C@@H]1CCC(=O)NC12CCC2 ZINC000570626932 323065159 /nfs/dbraw/zinc/06/51/59/323065159.db2.gz NYERHDWMEWILPG-SECBINFHSA-N 1 0 207.277 0.691 20 30 BCEDRO C[C@@H]1C[C@@H](C)[NH+]1C[C@H](O)CN(C)CCC#N ZINC000570781766 323070079 /nfs/dbraw/zinc/07/00/79/323070079.db2.gz HSGKUNGKCHUXGC-IJLUTSLNSA-N 1 0 225.336 0.675 20 30 BCEDRO COC[C@H](C)OC[C@@H](O)C[NH2+]C[C@H](C)C#N ZINC000562994081 323078721 /nfs/dbraw/zinc/07/87/21/323078721.db2.gz UTTHMCSAQCIUIJ-VWYCJHECSA-N 1 0 230.308 0.148 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCCN(c3cc(C#N)ncn3)[C@@H]2C1 ZINC000563018270 323080034 /nfs/dbraw/zinc/08/00/34/323080034.db2.gz IMIGGDGVZVMGBO-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1ccncc1 ZINC000491728630 323082382 /nfs/dbraw/zinc/08/23/82/323082382.db2.gz HRXOQKFVCVSPBS-UHFFFAOYSA-N 1 0 231.299 0.353 20 30 BCEDRO C#CCNC(=O)[C@@H]1CCCC[N@H+]1C(C)C ZINC000118785592 323087294 /nfs/dbraw/zinc/08/72/94/323087294.db2.gz JLYCOQMXAAHEEH-NSHDSACASA-N 1 0 208.305 0.999 20 30 BCEDRO CNC(=O)[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000571048851 323105384 /nfs/dbraw/zinc/10/53/84/323105384.db2.gz AMRIJZBXLKFWJI-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCCS(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000531684690 323110999 /nfs/dbraw/zinc/11/09/99/323110999.db2.gz MDHUEAIPDKYMAQ-LLVKDONJSA-N 1 0 246.376 0.824 20 30 BCEDRO CC(C)[C@H](C(=O)NC[C@H](C)C#N)[NH+](C)C ZINC000531852401 323116307 /nfs/dbraw/zinc/11/63/07/323116307.db2.gz JHVHAYXGTYHQML-NXEZZACHSA-N 1 0 211.309 0.848 20 30 BCEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[NH3+] ZINC000563337559 323119189 /nfs/dbraw/zinc/11/91/89/323119189.db2.gz AZRRMDVVDIHNOX-JTQLQIEISA-N 1 0 247.298 0.743 20 30 BCEDRO CC[C@@](C)(O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000563360603 323119741 /nfs/dbraw/zinc/11/97/41/323119741.db2.gz QRWQQAYTBJPRIL-GFCCVEGCSA-N 1 0 239.319 0.205 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCN1CCNC1=O ZINC000563366361 323121407 /nfs/dbraw/zinc/12/14/07/323121407.db2.gz PZWXUDWSXBRTQE-VIFPVBQESA-N 1 0 210.281 0.293 20 30 BCEDRO CC#CCN(C)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000563399500 323123004 /nfs/dbraw/zinc/12/30/04/323123004.db2.gz YNUCFPZCLFISKH-LLVKDONJSA-N 1 0 208.305 0.808 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC000310127421 323128228 /nfs/dbraw/zinc/12/82/28/323128228.db2.gz GLMOKBZGBJXWGJ-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C[N@@H+]1CCC[C@H](CCNc2ccnc(C#N)n2)C1 ZINC000563548250 323129739 /nfs/dbraw/zinc/12/97/39/323129739.db2.gz DABKMQBSYJYVDJ-LLVKDONJSA-N 1 0 245.330 0.914 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000571158632 323136874 /nfs/dbraw/zinc/13/68/74/323136874.db2.gz PXEMPLUNYKAEGI-TUAOUCFPSA-N 1 0 237.303 0.177 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000111785567 323163650 /nfs/dbraw/zinc/16/36/50/323163650.db2.gz RIJSBKFOVZBQTJ-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO C#CCN(CC#C)C(=O)C[NH+]1CCC(C)CC1 ZINC000121825840 323166182 /nfs/dbraw/zinc/16/61/82/323166182.db2.gz WRGHSEIZRKDDOS-UHFFFAOYSA-N 1 0 232.327 0.813 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](C(=O)NCCC)C1 ZINC000051043222 323173009 /nfs/dbraw/zinc/17/30/09/323173009.db2.gz TZLWPNIKSOHLSM-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO CN(CC[NH+](C)C)c1ncncc1C#N ZINC000308935246 323181979 /nfs/dbraw/zinc/18/19/79/323181979.db2.gz CMSHAHJWTREFBT-UHFFFAOYSA-N 1 0 205.265 0.346 20 30 BCEDRO C[C@@H](C#N)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000535761346 323190669 /nfs/dbraw/zinc/19/06/69/323190669.db2.gz PYJLXMZHINIIFK-WDEREUQCSA-N 1 0 239.319 0.231 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=[NH2+])NC(C)C ZINC000328320616 323195742 /nfs/dbraw/zinc/19/57/42/323195742.db2.gz YZLOMBFEJNHKAL-UHFFFAOYSA-N 1 0 210.325 0.464 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000536068791 323195819 /nfs/dbraw/zinc/19/58/19/323195819.db2.gz NOXVWJJOTKYQIH-NSHDSACASA-N 1 0 248.330 0.512 20 30 BCEDRO COC[C@](C)([NH3+])CNc1ccncc1C#N ZINC000309285732 323340845 /nfs/dbraw/zinc/34/08/45/323340845.db2.gz OPNOAKQGCLCSGL-LLVKDONJSA-N 1 0 220.276 0.729 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNc1ccnc(C#N)n1 ZINC000309356522 323344184 /nfs/dbraw/zinc/34/41/84/323344184.db2.gz NLCZZVMGMCKOHV-SECBINFHSA-N 1 0 217.276 0.854 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCN(C2CC2)CC1 ZINC000677047654 487958001 /nfs/dbraw/zinc/95/80/01/487958001.db2.gz DVDJWUMFZUUEFK-GFCCVEGCSA-N 1 0 210.321 0.703 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCN(CCOCC)CC1 ZINC000677047727 487958901 /nfs/dbraw/zinc/95/89/01/487958901.db2.gz HPGHTFMWVBSRAM-ZDUSSCGKSA-N 1 0 242.363 0.578 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@@H]1C ZINC000076115119 487958442 /nfs/dbraw/zinc/95/84/42/487958442.db2.gz NVNDKRJUDJIVQA-UWVGGRQHSA-N 1 0 239.319 0.871 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCN(CCOCC)CC1 ZINC000677047726 487959420 /nfs/dbraw/zinc/95/94/20/487959420.db2.gz HPGHTFMWVBSRAM-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO CC[N@H+](C)CCNC(=O)C1(C#N)CC(C)C1 ZINC000122379476 324042549 /nfs/dbraw/zinc/04/25/49/324042549.db2.gz OPQFXDWGRJEKDF-UHFFFAOYSA-N 1 0 223.320 0.994 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000491305899 324155867 /nfs/dbraw/zinc/15/58/67/324155867.db2.gz KNPHBBBSUQYCPZ-TUAOUCFPSA-N 1 0 238.331 0.265 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)[C@@H](C)CC ZINC000491737135 324158714 /nfs/dbraw/zinc/15/87/14/324158714.db2.gz VOVTUDNGRBTGIU-WDEREUQCSA-N 1 0 226.320 0.123 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1nn(C)cc1C ZINC000491745298 324159582 /nfs/dbraw/zinc/15/95/82/324159582.db2.gz NGRALMDNFGDUDL-UHFFFAOYSA-N 1 0 248.330 0.413 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1cccnc1 ZINC000517732553 324176146 /nfs/dbraw/zinc/17/61/46/324176146.db2.gz KKGZTPYBHMNXOK-CYBMUJFWSA-N 1 0 248.330 0.378 20 30 BCEDRO CNS(=O)(=O)[C@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000572527663 324190793 /nfs/dbraw/zinc/19/07/93/324190793.db2.gz HEQFAKVZZYUANF-UWVGGRQHSA-N 1 0 245.348 0.302 20 30 BCEDRO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000572527664 324190808 /nfs/dbraw/zinc/19/08/08/324190808.db2.gz HEQFAKVZZYUANF-VHSXEESVSA-N 1 0 245.348 0.302 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000541947505 325000195 /nfs/dbraw/zinc/00/01/95/325000195.db2.gz HGTXDTMOEOBSOV-NXEZZACHSA-N 1 0 236.319 0.682 20 30 BCEDRO C=C(C)CN1CC[NH+](CC(C)(C)O)CC1 ZINC000070557908 325015895 /nfs/dbraw/zinc/01/58/95/325015895.db2.gz IDJDLJVTSRFKCY-UHFFFAOYSA-N 1 0 212.337 0.951 20 30 BCEDRO CC#CCCNC(=O)[C@H](C)N1CCN(C)CC1 ZINC000542673352 325038463 /nfs/dbraw/zinc/03/84/63/325038463.db2.gz HQXMWJBTLBCZJS-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCCNc1cc[nH+]cc1 ZINC000542875984 325059295 /nfs/dbraw/zinc/05/92/95/325059295.db2.gz VIHVHWUXNIBJQC-SNVBAGLBSA-N 1 0 247.302 0.374 20 30 BCEDRO CO[C@H](C)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000130786838 325087303 /nfs/dbraw/zinc/08/73/03/325087303.db2.gz VBSLWSQPIZIIKE-LLVKDONJSA-N 1 0 241.335 0.715 20 30 BCEDRO CC#CCCNC(=O)C1CC[NH+](C)CC1 ZINC000543608572 325097858 /nfs/dbraw/zinc/09/78/58/325097858.db2.gz QHPUDOFHAXRVPW-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO CN(CC#N)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000543714232 325103707 /nfs/dbraw/zinc/10/37/07/325103707.db2.gz HEYKVTAXKWCUOL-UHFFFAOYSA-N 1 0 232.287 0.890 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000543837754 325116726 /nfs/dbraw/zinc/11/67/26/325116726.db2.gz AVCHBVYPGMZLNC-GFCCVEGCSA-N 1 0 240.347 0.819 20 30 BCEDRO CCCN(CC#N)CCCNS(=O)(=O)CC ZINC000132947016 325256012 /nfs/dbraw/zinc/25/60/12/325256012.db2.gz MWXLDCILSAMRGK-UHFFFAOYSA-N 1 0 247.364 0.551 20 30 BCEDRO C=CC[C@@H](CO)CNc1cc[nH+]cc1C(N)=O ZINC000546580950 325288523 /nfs/dbraw/zinc/28/85/23/325288523.db2.gz ZMYVXXDSKFPLRZ-SECBINFHSA-N 1 0 235.287 0.199 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccc(N(C)C)nc1 ZINC000309441379 487967385 /nfs/dbraw/zinc/96/73/85/487967385.db2.gz IPEBCBYZUOPMQC-LLVKDONJSA-N 1 0 221.304 0.784 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000547404736 325351547 /nfs/dbraw/zinc/35/15/47/325351547.db2.gz KDTRNCDANCOUIL-IJLUTSLNSA-N 1 0 240.347 0.912 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2ccc(C#N)nc2)C1 ZINC000134973685 325385375 /nfs/dbraw/zinc/38/53/75/325385375.db2.gz CPUXGDXCRQXIEX-UHFFFAOYSA-N 1 0 230.271 0.339 20 30 BCEDRO CC[C@H](C(=O)NCC1(C#N)CC1)[NH+](C)C ZINC000555862085 325771527 /nfs/dbraw/zinc/77/15/27/325771527.db2.gz OLCDZUYVAOQHPY-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC1CC([NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000564847895 325816426 /nfs/dbraw/zinc/81/64/26/325816426.db2.gz IXRGFDJHEXABJJ-MCIGGMRASA-N 1 0 225.336 0.581 20 30 BCEDRO CC(C)COC[C@@H](O)C[NH2+]C[C@@H](C)C#N ZINC000564857766 325818231 /nfs/dbraw/zinc/81/82/31/325818231.db2.gz YBFJEQBAHOEIEX-QWRGUYRKSA-N 1 0 214.309 0.769 20 30 BCEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCO[C@@H](C#N)C1 ZINC000565652659 325938332 /nfs/dbraw/zinc/93/83/32/325938332.db2.gz ALMNRBLZARPWEA-GUBZILKMSA-N 1 0 240.307 0.046 20 30 BCEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N1CCO[C@H](C#N)C1 ZINC000565652661 325938403 /nfs/dbraw/zinc/93/84/03/325938403.db2.gz ALMNRBLZARPWEA-LPEHRKFASA-N 1 0 240.307 0.046 20 30 BCEDRO CS(=O)(=O)NC[C@@H]1CCC[C@H]1[NH2+]CCC#N ZINC000566129238 326000834 /nfs/dbraw/zinc/00/08/34/326000834.db2.gz AZERMRSNZFUENO-VHSXEESVSA-N 1 0 245.348 0.208 20 30 BCEDRO C=CCOCCC[NH2+][C@@H]1COC[C@H]1OC ZINC000566185935 326008502 /nfs/dbraw/zinc/00/85/02/326008502.db2.gz AMXQIEDYKIZEBZ-GHMZBOCLSA-N 1 0 215.293 0.583 20 30 BCEDRO C[C@@H]1[C@H](C)N(c2ccnc(C#N)n2)CC[N@H+]1C ZINC000566485346 326057068 /nfs/dbraw/zinc/05/70/68/326057068.db2.gz GSDUGZCWMNNKEV-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO COC[C@H](O)C[NH2+]CC#Cc1cccc(F)c1 ZINC000566851384 326086593 /nfs/dbraw/zinc/08/65/93/326086593.db2.gz FRJHXUFSHQBZSP-CYBMUJFWSA-N 1 0 237.274 0.774 20 30 BCEDRO C=CCCC[C@H](C)[NH2+]CCC(=O)NC(N)=O ZINC000566909820 326093045 /nfs/dbraw/zinc/09/30/45/326093045.db2.gz PVYOWECKYAXZNN-VIFPVBQESA-N 1 0 227.308 0.906 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCCCF)CC1 ZINC000153968000 326122936 /nfs/dbraw/zinc/12/29/36/326122936.db2.gz AHGOGNKRGBFQMU-UHFFFAOYSA-N 1 0 226.295 0.807 20 30 BCEDRO C=C(CC)CNC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000567148955 326124623 /nfs/dbraw/zinc/12/46/23/326124623.db2.gz JCTVEPRFYUKDHY-LLVKDONJSA-N 1 0 240.351 0.237 20 30 BCEDRO CC[C@H](C)C(=O)N[C@](C)(C#N)CN(C)C ZINC000567324339 326161065 /nfs/dbraw/zinc/16/10/65/326161065.db2.gz LKGHHLPNVBTMJA-GXSJLCMTSA-N 1 0 211.309 0.993 20 30 BCEDRO COC[C@@](C)(O)C[NH2+]Cc1ccc(C#N)o1 ZINC000309670653 326163253 /nfs/dbraw/zinc/16/32/53/326163253.db2.gz VVHPZXWHEPLODE-NSHDSACASA-N 1 0 224.260 0.638 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)o1 ZINC000155019982 326179360 /nfs/dbraw/zinc/17/93/60/326179360.db2.gz QIBYBJOCWJOJAZ-SECBINFHSA-N 1 0 233.271 0.849 20 30 BCEDRO C=CC(C)(C)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000567696960 326246897 /nfs/dbraw/zinc/24/68/97/326246897.db2.gz LQBMOXJWZIZUHU-LBPRGKRZSA-N 1 0 239.363 0.995 20 30 BCEDRO COC[C@H](O)C[NH2+]CC(C)(C)CC#N ZINC000567697214 326247431 /nfs/dbraw/zinc/24/74/31/326247431.db2.gz RXNBOGYSPXWMBB-SECBINFHSA-N 1 0 200.282 0.523 20 30 BCEDRO N#Cc1cncn(CCC2CC[NH2+]CC2)c1=O ZINC000567808955 326260441 /nfs/dbraw/zinc/26/04/41/326260441.db2.gz DSOMFUMIJWUAKP-UHFFFAOYSA-N 1 0 232.287 0.505 20 30 BCEDRO COC[C@@H](C)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000567887150 326276632 /nfs/dbraw/zinc/27/66/32/326276632.db2.gz DIVRGNJJFKKKPK-SECBINFHSA-N 1 0 245.286 0.725 20 30 BCEDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(C#N)c(C)n1 ZINC000568152134 326313711 /nfs/dbraw/zinc/31/37/11/326313711.db2.gz XTRBQMMEJPLJHN-SNVBAGLBSA-N 1 0 232.287 0.729 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCN(C)C1=O ZINC000568839763 326378949 /nfs/dbraw/zinc/37/89/49/326378949.db2.gz JITACCDQQGKRPR-MXWKQRLJSA-N 1 0 224.304 0.540 20 30 BCEDRO C=CCCCC[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000569315747 326399741 /nfs/dbraw/zinc/39/97/41/326399741.db2.gz KLPGZZZUBWALRK-JTQLQIEISA-N 1 0 237.303 0.579 20 30 BCEDRO C=CCOCCNC(=O)C1(OC)CC[NH2+]CC1 ZINC000302575203 487974766 /nfs/dbraw/zinc/97/47/66/487974766.db2.gz QDOUZIBFHYOXHW-UHFFFAOYSA-N 1 0 242.319 0.074 20 30 BCEDRO COCC#CC[NH+]1CCC(C(=O)N(C)C)CC1 ZINC000677132917 487979348 /nfs/dbraw/zinc/97/93/48/487979348.db2.gz ZGYYTQFDQABSEW-UHFFFAOYSA-N 1 0 238.331 0.436 20 30 BCEDRO COCC#CC[NH+]1CCC(NC(C)=O)CC1 ZINC000677133131 487980287 /nfs/dbraw/zinc/98/02/87/487980287.db2.gz JFTKVZDUGXBOEQ-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)CCOCCOCC ZINC000682537514 487981119 /nfs/dbraw/zinc/98/11/19/487981119.db2.gz BGNDCLDCGJLVJV-LBPRGKRZSA-N 1 0 231.336 0.908 20 30 BCEDRO C#CCNC(=O)CC[N@H+](C)CCOCC1CC1 ZINC000491068797 488029885 /nfs/dbraw/zinc/02/98/85/488029885.db2.gz RFUBKSBMCYTVKW-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000491508038 488033673 /nfs/dbraw/zinc/03/36/73/488033673.db2.gz YEWHEBFVMVNUBO-KBPBESRZSA-N 1 0 233.311 0.921 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)C[C@@H](C)O ZINC000491678819 488037353 /nfs/dbraw/zinc/03/73/53/488037353.db2.gz VDOCQFYNASQAAM-GHMZBOCLSA-N 1 0 226.320 0.123 20 30 BCEDRO N#CC1(CNC(=O)Cn2ccnc2)CC1 ZINC000619545597 488041380 /nfs/dbraw/zinc/04/13/80/488041380.db2.gz AVBOKZOBWXYKPC-UHFFFAOYSA-N 1 0 204.233 0.303 20 30 BCEDRO CC#CCC[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000401779350 488066208 /nfs/dbraw/zinc/06/62/08/488066208.db2.gz PECQTNXEDLMPLR-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000389390305 488093599 /nfs/dbraw/zinc/09/35/99/488093599.db2.gz VKUOLTOQVIPAIE-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](C(F)F)C1 ZINC000677735813 488113861 /nfs/dbraw/zinc/11/38/61/488113861.db2.gz HMRSLUJGXYVSRQ-QMMMGPOBSA-N 1 0 218.247 0.876 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000668690579 488120733 /nfs/dbraw/zinc/12/07/33/488120733.db2.gz WUBVNBNIQQERQY-CMPLNLGQSA-N 1 0 228.336 0.770 20 30 BCEDRO COCC#CC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000683222083 488132636 /nfs/dbraw/zinc/13/26/36/488132636.db2.gz DKQLPNNYOYZWHC-ZSBIGDGJSA-N 1 0 211.305 0.870 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC1CC[NH+](C)CC1 ZINC000667830916 488134807 /nfs/dbraw/zinc/13/48/07/488134807.db2.gz DPBVSSQNAOBVQJ-LBPRGKRZSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC1CC[NH+](C)CC1 ZINC000667830915 488134933 /nfs/dbraw/zinc/13/49/33/488134933.db2.gz DPBVSSQNAOBVQJ-GFCCVEGCSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CCCOC[C@H]2C)C1=O ZINC000685003683 487490662 /nfs/dbraw/zinc/49/06/62/487490662.db2.gz KPYQVCQMPAYYAA-NEPJUHHUSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000334600899 487526160 /nfs/dbraw/zinc/52/61/60/487526160.db2.gz SULQXVOBEVJMEN-LBPRGKRZSA-N 1 0 223.320 0.958 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000677950913 488164978 /nfs/dbraw/zinc/16/49/78/488164978.db2.gz DQCKPLXQNCLJOJ-NWDGAFQWSA-N 1 0 240.347 0.901 20 30 BCEDRO CC#CC[N@@H+](C)C[C@H](OC)[C@@H]1CCOC1 ZINC000660644728 488140413 /nfs/dbraw/zinc/14/04/13/488140413.db2.gz MVTHSFBAFHGSML-NEPJUHHUSA-N 1 0 211.305 0.993 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CO[C@@H](C2CC2)C1 ZINC000667926985 488159976 /nfs/dbraw/zinc/15/99/76/488159976.db2.gz HIHQYVQKQXJSKY-WDEREUQCSA-N 1 0 224.304 0.446 20 30 BCEDRO C=CCCOCC(=O)N1CC([NH+](C)C)C1 ZINC000677942881 488162374 /nfs/dbraw/zinc/16/23/74/488162374.db2.gz TVXXMMCZPJHAKX-UHFFFAOYSA-N 1 0 212.293 0.352 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCc2cncn2C1 ZINC000672150464 488173009 /nfs/dbraw/zinc/17/30/09/488173009.db2.gz BFAYKCBYKQXHEQ-ZWNOBZJWSA-N 1 0 249.314 0.641 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000668008782 488182792 /nfs/dbraw/zinc/18/27/92/488182792.db2.gz CYKWGSSDQYIWAS-WCQYABFASA-N 1 0 238.331 0.620 20 30 BCEDRO C=C(C)COCCNC(=O)NCC[NH2+]C1CC1 ZINC000669533737 488183778 /nfs/dbraw/zinc/18/37/78/488183778.db2.gz VBSUAMQKBKSZBX-UHFFFAOYSA-N 1 0 241.335 0.630 20 30 BCEDRO COCC#CC[N@H+](C)CCNC(=O)C(C)C ZINC000678087710 488195121 /nfs/dbraw/zinc/19/51/21/488195121.db2.gz XELPAAPXQZPKMA-UHFFFAOYSA-N 1 0 226.320 0.340 20 30 BCEDRO COCC#CC[NH+]1CCC(CO)(OC)CC1 ZINC000683677592 488206083 /nfs/dbraw/zinc/20/60/83/488206083.db2.gz XOZDDHXJJRNZCI-UHFFFAOYSA-N 1 0 227.304 0.110 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(CO)(OC)CC1 ZINC000683678299 488206150 /nfs/dbraw/zinc/20/61/50/488206150.db2.gz HRISVALGFAANLY-NSHDSACASA-N 1 0 229.320 0.397 20 30 BCEDRO COCC#CCN1C[C@@H](C)[N@H+](C)C[C@H]1C ZINC000678173023 488212143 /nfs/dbraw/zinc/21/21/43/488212143.db2.gz QZBNXNUNFBEMAA-VXGBXAGGSA-N 1 0 210.321 0.661 20 30 BCEDRO C=CCOCCNC(=O)N1CCC[NH2+]CC1 ZINC000669555345 488216657 /nfs/dbraw/zinc/21/66/57/488216657.db2.gz RJKHTAOEANKQRG-UHFFFAOYSA-N 1 0 227.308 0.194 20 30 BCEDRO COCC#CC[N@@H+](CCOC)[C@@H]1CCOC1 ZINC000683802573 488224223 /nfs/dbraw/zinc/22/42/23/488224223.db2.gz YYBXSSIGLSIJKZ-GFCCVEGCSA-N 1 0 227.304 0.374 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000684005946 488254673 /nfs/dbraw/zinc/25/46/73/488254673.db2.gz XOQANUHNZNEKRQ-JQWIXIFHSA-N 1 0 224.304 0.135 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000673010871 488271384 /nfs/dbraw/zinc/27/13/84/488271384.db2.gz CHIVKISEKIPHHN-JTQLQIEISA-N 1 0 229.324 0.438 20 30 BCEDRO C=CCOCC[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000684200379 488275581 /nfs/dbraw/zinc/27/55/81/488275581.db2.gz JNGVWYQSYGJJJQ-NSHDSACASA-N 1 0 236.319 0.717 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000684202932 488276235 /nfs/dbraw/zinc/27/62/35/488276235.db2.gz ZHSUESJHOGCZTA-WDEREUQCSA-N 1 0 236.319 0.451 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCN(CC)CC1 ZINC000678714778 488276919 /nfs/dbraw/zinc/27/69/19/488276919.db2.gz OYRRIBIGTBOQOU-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000684628590 488335594 /nfs/dbraw/zinc/33/55/94/488335594.db2.gz NMCASZMEDCZVKC-ONGXEEELSA-N 1 0 212.293 0.121 20 30 BCEDRO COCC#CCN1CCO[C@@H](C(C)C)C1 ZINC000679218311 488317923 /nfs/dbraw/zinc/31/79/23/488317923.db2.gz AJNORNUHDMYREC-GFCCVEGCSA-N 1 0 211.305 0.993 20 30 BCEDRO CNC(=O)[C@@]1(C)CC[N@H+](CC#CCOC)C1 ZINC000684668103 488337533 /nfs/dbraw/zinc/33/75/33/488337533.db2.gz BABCSEWYQUVYFV-LBPRGKRZSA-N 1 0 224.304 0.094 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000684761284 488340290 /nfs/dbraw/zinc/34/02/90/488340290.db2.gz PBTRTHRHXLFXCB-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCOCCNC(=O)NC1CC[NH+](C)CC1 ZINC000679493308 488355036 /nfs/dbraw/zinc/35/50/36/488355036.db2.gz DTQKBMUGPHEHSW-UHFFFAOYSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCOCCC[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000352660141 490099062 /nfs/dbraw/zinc/09/90/62/490099062.db2.gz MPCQJWWKHISRAV-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC=CO1 ZINC000491786618 490118517 /nfs/dbraw/zinc/11/85/17/490118517.db2.gz UOODWMJCSMZDCI-GFCCVEGCSA-N 1 0 236.315 0.750 20 30 BCEDRO COCC#CC[N@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000653698998 490198549 /nfs/dbraw/zinc/19/85/49/490198549.db2.gz QRJIHKAYIUOTKW-LLVKDONJSA-N 1 0 224.304 0.189 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@H](C)C[NH2+]C)nn1 ZINC000662967191 490245929 /nfs/dbraw/zinc/24/59/29/490245929.db2.gz GIFGBQURYWQQKU-SECBINFHSA-N 1 0 237.307 0.192 20 30 BCEDRO C[N@H+](CCOCCC#N)[C@@H]1CCC[C@@H]1O ZINC000339187025 490256406 /nfs/dbraw/zinc/25/64/06/490256406.db2.gz BSVNURKVWXVVIW-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCC(NC(C)=O)CC1 ZINC000305105039 490433802 /nfs/dbraw/zinc/43/38/02/490433802.db2.gz ZCXAEQPWZRFGAD-ZDUSSCGKSA-N 1 0 240.347 0.914 20 30 BCEDRO C[NH+](C)C1CN(c2ncc(C#N)cc2[N+](=O)[O-])C1 ZINC000297496967 491098990 /nfs/dbraw/zinc/09/89/90/491098990.db2.gz MXJMRULDICXINB-UHFFFAOYSA-N 1 0 247.258 0.612 20 30 BCEDRO C[NH2+][C@@H]1CCN(C(=O)C2(C#N)CCCC2)C1 ZINC000563337159 491104467 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534389120 /nfs/dbraw/zinc/38/91/20/534389120.db2.gz YQRKDFZBFONVDS-GFCCVEGCSA-N 1 0 237.303 0.627 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000342171194 534392778 /nfs/dbraw/zinc/39/27/78/534392778.db2.gz ZWRKOSXMGQCPTA-NWDGAFQWSA-N 1 0 242.363 0.873 20 30 BCEDRO C=C(CC)C[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000358737289 534396500 /nfs/dbraw/zinc/39/65/00/534396500.db2.gz OFMAUYUVSUFTEY-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000261528352 534447669 /nfs/dbraw/zinc/44/76/69/534447669.db2.gz NXWAWDGBDSUADU-WPRPVWTQSA-N 1 0 214.696 0.855 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NC2CCCC2)nn1 ZINC000263039730 534452705 /nfs/dbraw/zinc/45/27/05/534452705.db2.gz ISJBVLRLYWCLRC-UHFFFAOYSA-N 1 0 248.334 0.811 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NCCC[NH+]1CCCC1 ZINC000357068850 534524417 /nfs/dbraw/zinc/52/44/17/534524417.db2.gz RJZGXJYAVPPPEP-NSHDSACASA-N 1 0 241.335 0.318 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1ccc2c(c1)oc(=O)n2C ZINC000353577979 534540366 /nfs/dbraw/zinc/54/03/66/534540366.db2.gz URBQUROWSSNWMQ-JTQLQIEISA-N 1 0 248.282 0.768 20 30 BCEDRO C=C[C@@H](CO)[NH2+]CCC(C)(C)C(=O)OC ZINC000308963713 534540681 /nfs/dbraw/zinc/54/06/81/534540681.db2.gz TXKMTVVFBRRSJO-VIFPVBQESA-N 1 0 215.293 0.712 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)C1CC([NH3+])C1 ZINC000333827337 534598146 /nfs/dbraw/zinc/59/81/46/534598146.db2.gz SBYQVRJJIMLOTA-LXKPXOPUSA-N 1 0 239.319 0.461 20 30 BCEDRO C=CCCCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358059318 534661006 /nfs/dbraw/zinc/66/10/06/534661006.db2.gz DEJLBAUSAYCWRM-GFCCVEGCSA-N 1 0 226.320 0.526 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCC1(CO)CCOCC1 ZINC000160768109 534662233 /nfs/dbraw/zinc/66/22/33/534662233.db2.gz IWVHGXQDEYXZLS-UHFFFAOYSA-N 1 0 243.351 0.478 20 30 BCEDRO CC(C)(C)NC(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262485183 534663200 /nfs/dbraw/zinc/66/32/00/534663200.db2.gz UBLPYKCNYXQSCP-VIFPVBQESA-N 1 0 235.335 0.901 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000360137841 534678825 /nfs/dbraw/zinc/67/88/25/534678825.db2.gz XQHQUTMRKNKUQP-WDEREUQCSA-N 1 0 243.351 0.561 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000356837450 534680634 /nfs/dbraw/zinc/68/06/34/534680634.db2.gz OGZIREFGYNJZSE-HBNTYKKESA-N 1 0 226.320 0.380 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](CC)Cn1cncn1 ZINC000336744656 534683515 /nfs/dbraw/zinc/68/35/15/534683515.db2.gz ZRONEQKJBDAIOZ-VHSXEESVSA-N 1 0 210.281 0.193 20 30 BCEDRO C=CCCC[N@@H+](C)CC(=O)NC(=O)NCC=C ZINC000076734118 534705627 /nfs/dbraw/zinc/70/56/27/534705627.db2.gz JWBPPYIKIRTSCL-UHFFFAOYSA-N 1 0 239.319 0.896 20 30 BCEDRO C=CCCC[N@@H+](C)[C@@H](COC)C(N)=O ZINC000339364707 534712019 /nfs/dbraw/zinc/71/20/19/534712019.db2.gz WXWJJLKKKSOIBS-VIFPVBQESA-N 1 0 200.282 0.385 20 30 BCEDRO C=CCCC[N@@H+](C)[C@H](COC)C(N)=O ZINC000339364706 534714503 /nfs/dbraw/zinc/71/45/03/534714503.db2.gz WXWJJLKKKSOIBS-SECBINFHSA-N 1 0 200.282 0.385 20 30 BCEDRO CC#CCNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339343435 534715740 /nfs/dbraw/zinc/71/57/40/534715740.db2.gz JWSJICHFZIKFNU-UHFFFAOYSA-N 1 0 231.299 0.896 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000338549971 534768391 /nfs/dbraw/zinc/76/83/91/534768391.db2.gz ZVSZBVQBBZXVTF-JTQLQIEISA-N 1 0 217.334 0.929 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000338362788 534768845 /nfs/dbraw/zinc/76/88/45/534768845.db2.gz NHUUSIJJEHLGIA-LLVKDONJSA-N 1 0 246.376 0.776 20 30 BCEDRO Cc1ccc(C=NNC(N)=[NH2+])cc1[N+](=O)[O-] ZINC000252447540 524243446 /nfs/dbraw/zinc/24/34/46/524243446.db2.gz LVXAJYMPVMIHTE-UHFFFAOYSA-N 1 0 221.220 0.720 20 30 BCEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC ZINC000342727498 534770435 /nfs/dbraw/zinc/77/04/35/534770435.db2.gz UOKYBBXEUKTTRG-MRVPVSSYSA-N 1 0 213.281 0.338 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]([NH2+]C)C1 ZINC000261527879 534785856 /nfs/dbraw/zinc/78/58/56/534785856.db2.gz BGQGGSJHJMZKGB-VIFPVBQESA-N 1 0 218.322 0.186 20 30 BCEDRO C=CC[N@@H+](C)[C@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000121359185 534816190 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/nfs/dbraw/zinc/86/86/02/534868602.db2.gz KKCOIEMWCKVPCP-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCOCC(=O)N[C@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361110144 534870243 /nfs/dbraw/zinc/87/02/43/534870243.db2.gz OYFWAVXBQWSWAI-RYUDHWBXSA-N 1 0 238.331 0.693 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261554518 534870310 /nfs/dbraw/zinc/87/03/10/534870310.db2.gz UISADZMIPGOMOJ-UWVGGRQHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCOCCC[N@@H+](C)[C@@H](COC)C(N)=O ZINC000339355632 534873480 /nfs/dbraw/zinc/87/34/80/534873480.db2.gz FLWUAOFYPZCCLN-JTQLQIEISA-N 1 0 230.308 0.011 20 30 BCEDRO C=CCOCCC[N@@H+](C)[C@@]1(CO)CCOC1 ZINC000348044558 534874204 /nfs/dbraw/zinc/87/42/04/534874204.db2.gz ZZGMDRPHQUNHOL-GFCCVEGCSA-N 1 0 229.320 0.662 20 30 BCEDRO C=CCOCCC[N@@H+](C)[C@@H]1CCNC1=O ZINC000348046259 534874330 /nfs/dbraw/zinc/87/43/30/534874330.db2.gz IRSHHVOXOQXJHB-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCOCCC[N@@H+](C)[C@@H]1COC[C@@H]1O ZINC000352804075 534874471 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/nfs/dbraw/zinc/47/30/24/526473024.db2.gz COPJQCYEJMPAAG-GRYCIOLGSA-N 1 0 238.331 0.883 20 30 BCEDRO C=CCNC(=O)C[NH2+]C/C=C\c1ccncc1 ZINC000487572741 526568660 /nfs/dbraw/zinc/56/86/60/526568660.db2.gz MDLGBYVUKHXUEC-ARJAWSKDSA-N 1 0 231.299 0.987 20 30 BCEDRO C#CCN(C(=O)NC[C@@H]1CCC[NH2+]1)C1CC1 ZINC000491661478 526769290 /nfs/dbraw/zinc/76/92/90/526769290.db2.gz NMMJVZYVGGIQCK-JTQLQIEISA-N 1 0 221.304 0.546 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C1CC1 ZINC000491697857 526772609 /nfs/dbraw/zinc/77/26/09/526772609.db2.gz ARYVTOXVDAFNFG-CMPLNLGQSA-N 1 0 235.331 0.792 20 30 BCEDRO C#CCN(C(=O)N[C@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000491483306 526772755 /nfs/dbraw/zinc/77/27/55/526772755.db2.gz AXWNLXPBOZJXBA-NXEZZACHSA-N 1 0 223.320 0.919 20 30 BCEDRO C#CCN(C)CC1(C[N@H+](C)CC#C)COC1 ZINC000491670561 526802116 /nfs/dbraw/zinc/80/21/16/526802116.db2.gz PDGYOPVPFPQOQW-UHFFFAOYSA-N 1 0 220.316 0.133 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@](C)(O)C(C)C ZINC000491712094 526823049 /nfs/dbraw/zinc/82/30/49/526823049.db2.gz WMRBIUADQZLAGK-ZDUSSCGKSA-N 1 0 240.347 0.465 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(C)ncn1 ZINC000491630123 526823146 /nfs/dbraw/zinc/82/31/46/526823146.db2.gz NRSGSTKXVDMCAV-UHFFFAOYSA-N 1 0 246.314 0.470 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000491818177 526856325 /nfs/dbraw/zinc/85/63/25/526856325.db2.gz PSQDNAFLYATGBW-CYBMUJFWSA-N 1 0 247.342 0.654 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCc2cc[nH]n2)CC1 ZINC000490574204 526926467 /nfs/dbraw/zinc/92/64/67/526926467.db2.gz JJIRVJSJLYAWJA-UHFFFAOYSA-N 1 0 246.314 0.371 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OCCCO)CC1 ZINC000490839790 526935034 /nfs/dbraw/zinc/93/50/34/526935034.db2.gz KIYOUYQLHPMTIH-UHFFFAOYSA-N 1 0 225.288 0.257 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOCCC(C)C ZINC000491474734 526981838 /nfs/dbraw/zinc/98/18/38/526981838.db2.gz PMKNHOWHAHHCFJ-UHFFFAOYSA-N 1 0 240.347 0.778 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000491646261 526982480 /nfs/dbraw/zinc/98/24/80/526982480.db2.gz SIYSBBJSWQAMJF-NWDGAFQWSA-N 1 0 240.347 0.777 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C[C@H]1CCC[C@@H]1O ZINC000491067277 526974417 /nfs/dbraw/zinc/97/44/17/526974417.db2.gz HLEYMELXIXCMSX-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCN(CC)CCC ZINC000491670370 526981506 /nfs/dbraw/zinc/98/15/06/526981506.db2.gz MBOAXEFPRXQWQE-UHFFFAOYSA-N 1 0 239.363 0.447 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCCOC(C)C ZINC000491670428 526981912 /nfs/dbraw/zinc/98/19/12/526981912.db2.gz ZANQPYSPDHOKAH-UHFFFAOYSA-N 1 0 240.347 0.921 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](CC)CCO ZINC000491626421 526984004 /nfs/dbraw/zinc/98/40/04/526984004.db2.gz SMJNLTFDJCCNRS-LLVKDONJSA-N 1 0 226.320 0.124 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@@H](OC)C1CC1 ZINC000491712896 526984953 /nfs/dbraw/zinc/98/49/53/526984953.db2.gz IVRVVQBKNNBNGW-GXFFZTMASA-N 1 0 238.331 0.529 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000491203643 526986550 /nfs/dbraw/zinc/98/65/50/526986550.db2.gz YEMJAGSWTZZCJP-NWDGAFQWSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+]C1(C2CC2)CC1 ZINC000309008711 527022445 /nfs/dbraw/zinc/02/24/45/527022445.db2.gz QYCVPOGZSYBQIW-SECBINFHSA-N 1 0 206.289 0.657 20 30 BCEDRO C#CCNN=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCOC ZINC000491665969 527045464 /nfs/dbraw/zinc/04/54/64/527045464.db2.gz LIIPSZVAGNCXCC-BETUJISGSA-N 1 0 235.331 0.838 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@@H]1CCC[NH2+]C1)C(C)C ZINC000491627979 527280405 /nfs/dbraw/zinc/28/04/05/527280405.db2.gz KHVIVQFMTNQYJL-GHMZBOCLSA-N 1 0 223.320 0.695 20 30 BCEDRO C=CCCOCCNC(=O)NCC[NH2+]CC ZINC000417961664 527354361 /nfs/dbraw/zinc/35/43/61/527354361.db2.gz NVLXIBCLYKWHMB-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000491789280 527323664 /nfs/dbraw/zinc/32/36/64/527323664.db2.gz ZBLOGYUUIXTLCE-WPRPVWTQSA-N 1 0 209.293 0.387 20 30 BCEDRO C#C[C@H](NC(=O)N1CCC[C@@H]1C[NH3+])C(C)C ZINC000491619181 527387077 /nfs/dbraw/zinc/38/70/77/527387077.db2.gz AYTUSGLDNJRUQB-MNOVXSKESA-N 1 0 223.320 0.777 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@@H]([NH2+]C)C1)C(C)C ZINC000491630054 527388635 /nfs/dbraw/zinc/38/86/35/527388635.db2.gz WVOZXACIMSYVSK-MNOVXSKESA-N 1 0 223.320 0.648 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1)C(C)C ZINC000491730249 527390062 /nfs/dbraw/zinc/39/00/62/527390062.db2.gz JKZAUVGVDLMGFB-XQQFMLRXSA-N 1 0 249.358 0.895 20 30 BCEDRO C#C[C@H](NC(=O)NCCC[NH2+]C)C(C)C ZINC000491702755 527391876 /nfs/dbraw/zinc/39/18/76/527391876.db2.gz IRTOACRYKRDSAB-JTQLQIEISA-N 1 0 211.309 0.553 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000487999731 527494008 /nfs/dbraw/zinc/49/40/08/527494008.db2.gz BXEKUKVEUAIVPK-QJPTWQEYSA-N 1 0 229.320 0.659 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000424463638 527495643 /nfs/dbraw/zinc/49/56/43/527495643.db2.gz HBIBHMXWPVPFHT-VLEAKVRGSA-N 1 0 241.335 0.612 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1cccc(O)c1 ZINC000264083263 536520823 /nfs/dbraw/zinc/52/08/23/536520823.db2.gz IZZJLUZKBZKFAO-SECBINFHSA-N 1 0 237.303 0.831 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@]1(C)CCOC1 ZINC000262520035 536520911 /nfs/dbraw/zinc/52/09/11/536520911.db2.gz IBYZRPYSCIOEPG-KOLCDFICSA-N 1 0 229.324 0.352 20 30 BCEDRO CC(C)(C#N)CNC(=[NH2+])N1CCSCC1 ZINC000262241194 534977048 /nfs/dbraw/zinc/97/70/48/534977048.db2.gz ACZCQEICKGGIGX-UHFFFAOYSA-N 1 0 226.349 0.900 20 30 BCEDRO CC(C)(C#N)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262318411 534977300 /nfs/dbraw/zinc/97/73/00/534977300.db2.gz QFCWJDAXFHNURI-VIFPVBQESA-N 1 0 224.308 0.619 20 30 BCEDRO CCC(CC)(CO)CNC1=[NH+]C[C@@H](C)N1 ZINC000261537611 534989667 /nfs/dbraw/zinc/98/96/67/534989667.db2.gz VVCYVCUXRVQCQA-SECBINFHSA-N 1 0 213.325 0.722 20 30 BCEDRO CC(C)[N@H+](CC(=O)NCC#N)[C@@H]1CCOC1 ZINC000361402612 535037954 /nfs/dbraw/zinc/03/79/54/535037954.db2.gz JZNNITZCKWWVQX-SNVBAGLBSA-N 1 0 225.292 0.125 20 30 BCEDRO CC(C)CNC(=[NH2+])NC[C@]1(C)CCOC1 ZINC000262533740 535064948 /nfs/dbraw/zinc/06/49/48/535064948.db2.gz OTULIRQBWDGJTJ-NSHDSACASA-N 1 0 213.325 0.973 20 30 BCEDRO CC(C)[C@@H]1CN(C(=O)CC#N)CC[N@@H+]1C ZINC000336090789 535255859 /nfs/dbraw/zinc/25/58/59/535255859.db2.gz SDHBCXHDVOMLFR-JTQLQIEISA-N 1 0 209.293 0.699 20 30 BCEDRO CC(C)C(N)=[NH+]OC[C@@H]1CNC(=O)O1 ZINC000282290340 535338264 /nfs/dbraw/zinc/33/82/64/535338264.db2.gz QKVQQADFMGUVLF-LURJTMIESA-N 1 0 201.226 0.040 20 30 BCEDRO CCN(CC)C(=[NH2+])NCC(=O)N1CCCCC1 ZINC000261995516 535388340 /nfs/dbraw/zinc/38/83/40/535388340.db2.gz NLSXBJQMXDRHFD-UHFFFAOYSA-N 1 0 240.351 0.655 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1cccnn1 ZINC000262865246 535390566 /nfs/dbraw/zinc/39/05/66/535390566.db2.gz BYHYSMATLUMHPE-UHFFFAOYSA-N 1 0 207.281 0.633 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1ccn(C)n1 ZINC000263073764 535390689 /nfs/dbraw/zinc/39/06/89/535390689.db2.gz WVHCAIJJNLCWAZ-UHFFFAOYSA-N 1 0 209.297 0.577 20 30 BCEDRO CC[C@@H](C(=O)N1CC(C)(C#N)C1)[NH+](C)C ZINC000335783505 535401174 /nfs/dbraw/zinc/40/11/74/535401174.db2.gz DFPZYVBIPVGKTA-VIFPVBQESA-N 1 0 209.293 0.699 20 30 BCEDRO CCNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000261724373 535425607 /nfs/dbraw/zinc/42/56/07/535425607.db2.gz XGYFKTLVUWIGRQ-AEJSXWLSSA-N 1 0 223.320 0.868 20 30 BCEDRO CCO[C@@H]1C[C@H](NC(NC)=[NH+]C)[C@]12CCCO2 ZINC000262342944 535455037 /nfs/dbraw/zinc/45/50/37/535455037.db2.gz CVWXWNYVHWWZJG-HOSYDEDBSA-N 1 0 241.335 0.508 20 30 BCEDRO CCN(CC#N)C(=O)C12CCC[NH+]1CCC2 ZINC000336383037 535767592 /nfs/dbraw/zinc/76/75/92/535767592.db2.gz VAMTTZJNPLDFGQ-UHFFFAOYSA-N 1 0 221.304 0.987 20 30 BCEDRO CCNC(NCCc1cnn(C)c1)=[NH+]CC ZINC000161517867 535786762 /nfs/dbraw/zinc/78/67/62/535786762.db2.gz MSFVUXWPRCAODX-UHFFFAOYSA-N 1 0 223.324 0.538 20 30 BCEDRO CCNC(NCc1cccc(C(N)=O)c1)=[NH+]CC ZINC000264071716 535786879 /nfs/dbraw/zinc/78/68/79/535786879.db2.gz DKMHDCHMMLRMBB-UHFFFAOYSA-N 1 0 248.330 0.861 20 30 BCEDRO C[NH+](C)CCNC(=O)NCC(C)(C)C#N ZINC000358624471 535883897 /nfs/dbraw/zinc/88/38/97/535883897.db2.gz HRQNQDCRSGFDPV-UHFFFAOYSA-N 1 0 212.297 0.397 20 30 BCEDRO CC[S@@](=O)[C@@H]1CCC[C@H](NC(=[NH2+])NC)C1 ZINC000155946963 535969308 /nfs/dbraw/zinc/96/93/08/535969308.db2.gz WLLMKWJOAIRXKC-QQXLSSBLSA-N 1 0 231.365 0.600 20 30 BCEDRO CCc1ccnc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000262770957 535997225 /nfs/dbraw/zinc/99/72/25/535997225.db2.gz HFKVYNWMNYIIKE-UHFFFAOYSA-N 1 0 248.330 0.791 20 30 BCEDRO CN(C(=O)[C@H]1CCC[N@@H+]1C)C1(C#N)CCC1 ZINC000336617537 536064209 /nfs/dbraw/zinc/06/42/09/536064209.db2.gz YKYADWHDXGBCID-SNVBAGLBSA-N 1 0 221.304 0.985 20 30 BCEDRO CC[C@H](C)NC(=O)CCNC1=[NH+]CCN1C ZINC000261578208 536150863 /nfs/dbraw/zinc/15/08/63/536150863.db2.gz LOIYNTDXTMPACN-VIFPVBQESA-N 1 0 226.324 0.182 20 30 BCEDRO CNC(=[NH2+])NCC(=O)N(C)C1CCCCC1 ZINC000262384850 536304490 /nfs/dbraw/zinc/30/44/90/536304490.db2.gz LDHPSAQTDFKYDE-UHFFFAOYSA-N 1 0 226.324 0.312 20 30 BCEDRO CN1C(=O)CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1=O ZINC000333551956 536310304 /nfs/dbraw/zinc/31/03/04/536310304.db2.gz JOYSLODJIPWJGJ-BBBLOLIVSA-N 1 0 235.287 0.416 20 30 BCEDRO C[N@H+](CCOCCO)[C@H]1CC[C@@H](C#N)C1 ZINC000339155319 536396740 /nfs/dbraw/zinc/39/67/40/536396740.db2.gz BRAGEZLWRMBMHH-MNOVXSKESA-N 1 0 212.293 0.619 20 30 BCEDRO CNC(=O)c1cccc(CNC(=[NH2+])NC2CC2)c1 ZINC000161551293 536437375 /nfs/dbraw/zinc/43/73/75/536437375.db2.gz JBTSMFLDCZHQCN-UHFFFAOYSA-N 1 0 246.314 0.613 20 30 BCEDRO COC1(C)CC[NH+](CC(=O)NCC#N)CC1 ZINC000342138932 536561493 /nfs/dbraw/zinc/56/14/93/536561493.db2.gz PEHXULSKDONMLP-UHFFFAOYSA-N 1 0 225.292 0.127 20 30 BCEDRO COC1(CCNC2=[NH+]C[C@H](C)N2)CCC1 ZINC000261556757 536607333 /nfs/dbraw/zinc/60/73/33/536607333.db2.gz QZHKFFZMCFAIAL-VIFPVBQESA-N 1 0 211.309 0.883 20 30 BCEDRO COc1cc(CNC2=[NH+]C[C@H](C)N2)ccn1 ZINC000261585953 536711831 /nfs/dbraw/zinc/71/18/31/536711831.db2.gz QSDYNYKAWSOUFF-QMMMGPOBSA-N 1 0 220.276 0.528 20 30 BCEDRO CO[C@@H]1COCC[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000263126125 536748561 /nfs/dbraw/zinc/74/85/61/536748561.db2.gz MMITWFPQEFKGBZ-GXSJLCMTSA-N 1 0 241.335 0.495 20 30 BCEDRO CO[C@@H]1COCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000263148279 536749221 /nfs/dbraw/zinc/74/92/21/536749221.db2.gz PCZGQMDMWOGZRD-VHSXEESVSA-N 1 0 243.351 0.741 20 30 BCEDRO COCCNC(=[NH2+])NCc1scnc1C ZINC000261967560 536852847 /nfs/dbraw/zinc/85/28/47/536852847.db2.gz BVEGYKHYIPOLTC-UHFFFAOYSA-N 1 0 228.321 0.502 20 30 BCEDRO COc1ccccc1CNC(=[NH2+])N1CCOCC1 ZINC000264148434 537007006 /nfs/dbraw/zinc/00/70/06/537007006.db2.gz YQNFEEOAFMZDTG-UHFFFAOYSA-N 1 0 249.314 0.842 20 30 BCEDRO COc1cccc(CNC(=[NH2+])N2CCOCC2)c1 ZINC000264063590 537096644 /nfs/dbraw/zinc/09/66/44/537096644.db2.gz DMDLPXDAEIKNRK-UHFFFAOYSA-N 1 0 249.314 0.842 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H]([C@H]2CC[NH2+]C2)C1 ZINC000491633157 566451604 /nfs/dbraw/zinc/45/16/04/566451604.db2.gz RJZCJPIUYPDLDC-NWDGAFQWSA-N 1 0 235.331 0.651 20 30 BCEDRO C#CCOCC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000851815897 582968803 /nfs/dbraw/zinc/96/88/03/582968803.db2.gz AABZPBBQPJUCPF-NEPJUHHUSA-N 1 0 241.356 0.843 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000852632972 583014916 /nfs/dbraw/zinc/01/49/16/583014916.db2.gz AATBCWQWCUDJDJ-QWRGUYRKSA-N 1 0 206.289 0.468 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000893283119 583084792 /nfs/dbraw/zinc/08/47/92/583084792.db2.gz JHMGFKQMMMLZSI-YVECIDJPSA-N 1 0 243.347 0.953 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853104939 588720403 /nfs/dbraw/zinc/72/04/03/588720403.db2.gz MCMVOMCXAPSRLI-GFCCVEGCSA-N 1 0 220.272 0.354 20 30 BCEDRO C#Cc1cccnc1N1CC[NH+](CCCO)CC1 ZINC000853245363 588728420 /nfs/dbraw/zinc/72/84/20/588728420.db2.gz XRBMZLIWYRZSAM-UHFFFAOYSA-N 1 0 245.326 0.567 20 30 BCEDRO CCOC(=O)NC1CCC(N=NC(N)=[NH2+])CC1 ZINC000853287799 588730785 /nfs/dbraw/zinc/73/07/85/588730785.db2.gz UPIVMYVFLGBSRP-UHFFFAOYSA-N 1 0 241.295 0.514 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cn(C3CCC3)nn2)N1 ZINC000853330393 588733587 /nfs/dbraw/zinc/73/35/87/588733587.db2.gz MRTQXDOXCOGWGX-QMMMGPOBSA-N 1 0 247.306 0.274 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccnn2CC2CC2)N1 ZINC000853330215 588733615 /nfs/dbraw/zinc/73/36/15/588733615.db2.gz KPGLPDCDCRQCIL-VIFPVBQESA-N 1 0 246.318 0.564 20 30 BCEDRO COC1(C(C)=NNC2=[NH+][C@H](C)CN2)CCC1 ZINC000853330240 588733731 /nfs/dbraw/zinc/73/37/31/588733731.db2.gz LBDXQSCUNAHCAS-MRVPVSSYSA-N 1 0 224.308 0.869 20 30 BCEDRO CC(C)n1ccnc1C=NNC1=[NH+]CCN1 ZINC000853357641 588737661 /nfs/dbraw/zinc/73/76/61/588737661.db2.gz INHKPXJEJWUNRK-UHFFFAOYSA-N 1 0 220.280 0.347 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccncc1F ZINC000853402009 588741230 /nfs/dbraw/zinc/74/12/30/588741230.db2.gz KZBAQZDAMNXNCJ-QMMMGPOBSA-N 1 0 222.267 0.992 20 30 BCEDRO Cc1nnc(N=NCc2cncn2C)n1C ZINC000853432850 588742130 /nfs/dbraw/zinc/74/21/30/588742130.db2.gz LZIHRWIFWORNCP-UHFFFAOYSA-N 1 0 219.252 0.303 20 30 BCEDRO C#Cc1cccnc1NC[C@](C)(O)C[NH+](C)C ZINC000853455980 588744182 /nfs/dbraw/zinc/74/41/82/588744182.db2.gz BGSNGLXMQWBYAO-ZDUSSCGKSA-N 1 0 233.315 0.787 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cnc(F)cn1 ZINC000853647255 588751978 /nfs/dbraw/zinc/75/19/78/588751978.db2.gz VGRVPRRJUQRLGB-UHFFFAOYSA-N 1 0 222.267 0.983 20 30 BCEDRO CCN(C(=O)NCCC#N)[C@H]1CC[N@H+](C)C1 ZINC000854025848 588772003 /nfs/dbraw/zinc/77/20/03/588772003.db2.gz WEOOUXBBLVGOHG-JTQLQIEISA-N 1 0 224.308 0.636 20 30 BCEDRO C[C@H](CC#N)C(=O)NOC1CC[NH+](C)CC1 ZINC000854357589 588784761 /nfs/dbraw/zinc/78/47/61/588784761.db2.gz CCHXTILLFLBMJS-SECBINFHSA-N 1 0 225.292 0.678 20 30 BCEDRO CC(C)C#CC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000854354072 588784975 /nfs/dbraw/zinc/78/49/75/588784975.db2.gz LYKCRWURARDKDW-ZDUSSCGKSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(C)(C)CC1 ZINC000112259864 588788657 /nfs/dbraw/zinc/78/86/57/588788657.db2.gz MHNSPWCWUYZQCC-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO CC(C)C#CC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000854600368 588796656 /nfs/dbraw/zinc/79/66/56/588796656.db2.gz SFQOQLKTSNBDCI-NWDGAFQWSA-N 1 0 220.316 0.808 20 30 BCEDRO CC#CC(=O)N1CCOC[C@@H]1[C@@H]1CCC[N@@H+]1C ZINC000854642392 588798973 /nfs/dbraw/zinc/79/89/73/588798973.db2.gz LNKCXLRUEPEUBO-NWDGAFQWSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1conc1CC ZINC000854664449 588799921 /nfs/dbraw/zinc/79/99/21/588799921.db2.gz VGEHMBICQZBQPK-UHFFFAOYSA-N 1 0 249.314 0.922 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ncc[nH]1 ZINC000854663099 588800011 /nfs/dbraw/zinc/80/00/11/588800011.db2.gz VFCLRJBDIJSEAL-UHFFFAOYSA-N 1 0 220.276 0.095 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC(C)=NO1 ZINC000854804622 588811144 /nfs/dbraw/zinc/81/11/44/588811144.db2.gz RZEMBJHPBTXYJU-JTQLQIEISA-N 1 0 225.292 0.385 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CCOC2)CC1 ZINC000854806698 588811350 /nfs/dbraw/zinc/81/13/50/588811350.db2.gz XEHCUZHPAKRUSV-UHFFFAOYSA-N 1 0 222.288 0.148 20 30 BCEDRO CCCCCC[N@H+](C)CC(=O)N[C@@H](C#N)CO ZINC000854872618 588815085 /nfs/dbraw/zinc/81/50/85/588815085.db2.gz MCENYZYCWISFOF-NSHDSACASA-N 1 0 241.335 0.499 20 30 BCEDRO N#C[C@@H](CO)NC(=O)CCCC[NH+]1CCCC1 ZINC000854873484 588815189 /nfs/dbraw/zinc/81/51/89/588815189.db2.gz ZKFYLAZMGIYBLE-NSHDSACASA-N 1 0 239.319 0.253 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cocn1 ZINC000854905179 588816429 /nfs/dbraw/zinc/81/64/29/588816429.db2.gz LIHYMSJVOSXNKT-UHFFFAOYSA-N 1 0 209.249 0.409 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC2(CCO2)CC1 ZINC000854970039 588819498 /nfs/dbraw/zinc/81/94/98/588819498.db2.gz QKPWNLVSCYVWNH-UHFFFAOYSA-N 1 0 238.331 0.886 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)Cc1c[nH]cn1 ZINC000855135358 588823328 /nfs/dbraw/zinc/82/33/28/588823328.db2.gz ICIMHVBDTLEUBN-UHFFFAOYSA-N 1 0 222.292 0.486 20 30 BCEDRO C#C[C@@H](CC)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000867772120 582457219 /nfs/dbraw/zinc/45/72/19/582457219.db2.gz MBCGBSYQVDMWQV-LBPRGKRZSA-N 1 0 248.330 0.586 20 30 BCEDRO C#C[C@H](Nc1nc(N)[nH+]c(N)n1)C(C)C ZINC000858526867 582462783 /nfs/dbraw/zinc/46/27/83/582462783.db2.gz ACFUYSMOILYKIO-LURJTMIESA-N 1 0 206.253 0.106 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000890526137 582466536 /nfs/dbraw/zinc/46/65/36/582466536.db2.gz ILLNSGMTSQOJPB-SNVBAGLBSA-N 1 0 236.315 0.066 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC12CCOCC2 ZINC000855350223 588828536 /nfs/dbraw/zinc/82/85/36/588828536.db2.gz QEOPERFQDDRRLB-UHFFFAOYSA-N 1 0 238.331 0.886 20 30 BCEDRO C=CC[C@@H]1CCN1C(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000890548268 582470320 /nfs/dbraw/zinc/47/03/20/582470320.db2.gz OQLQNBBYMJTGKL-NQBHXWOUSA-N 1 0 238.331 0.619 20 30 BCEDRO C=C(C)CN[NH+]=Cc1cnc(N(C)C)n1C ZINC000811651525 582482181 /nfs/dbraw/zinc/48/21/81/582482181.db2.gz BTDDKFXNDSJMRS-UHFFFAOYSA-N 1 0 221.308 0.986 20 30 BCEDRO CN(C)c1cc[nH+]cc1C=NN1CCCNC1=O ZINC000777903059 582486868 /nfs/dbraw/zinc/48/68/68/582486868.db2.gz SVFRRHYVWSESTM-UHFFFAOYSA-N 1 0 247.302 0.897 20 30 BCEDRO C=CC(C)(C)NC(=O)CN1CC[NH+](CC)CC1 ZINC000891268915 582649038 /nfs/dbraw/zinc/64/90/38/582649038.db2.gz AHYKSPYHXBEJSR-UHFFFAOYSA-N 1 0 239.363 0.705 20 30 BCEDRO C=C[C@@H](C)ONC(=O)C1CC[NH+](C)CC1 ZINC000846546733 582657438 /nfs/dbraw/zinc/65/74/38/582657438.db2.gz YNRFSQGBAREMAO-SECBINFHSA-N 1 0 212.293 0.951 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC=CCC1 ZINC000846677116 582663973 /nfs/dbraw/zinc/66/39/73/582663973.db2.gz KOTXFKQRUNQZNR-HBNTYKKESA-N 1 0 219.288 0.570 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCc1ccco1 ZINC000846678428 582664332 /nfs/dbraw/zinc/66/43/32/582664332.db2.gz UCRUMEMMKUJKSI-KOLCDFICSA-N 1 0 233.271 0.440 20 30 BCEDRO CC#CCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891813684 582725592 /nfs/dbraw/zinc/72/55/92/582725592.db2.gz LLKRZLQDDXMKAS-AOOOYVTPSA-N 1 0 209.293 0.436 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCCCC#N ZINC000891512383 582694859 /nfs/dbraw/zinc/69/48/59/582694859.db2.gz MJLZUKNILCGWJV-ZJUUUORDSA-N 1 0 224.308 0.811 20 30 BCEDRO C=CCCOCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891717803 582713984 /nfs/dbraw/zinc/71/39/84/582713984.db2.gz CFPUZRZIWSEVKM-GHMZBOCLSA-N 1 0 241.335 0.710 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891765463 582717886 /nfs/dbraw/zinc/71/78/86/582717886.db2.gz RCNDEAUZSKZMQG-UWVGGRQHSA-N 1 0 227.308 0.320 20 30 BCEDRO N#CCCCNC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000891770513 582718798 /nfs/dbraw/zinc/71/87/98/582718798.db2.gz ZACUGNVENBHUGK-UHFFFAOYSA-N 1 0 236.319 0.955 20 30 BCEDRO C#CCOCCNC(=O)NCc1cc(N)cc[nH+]1 ZINC000891777097 582718995 /nfs/dbraw/zinc/71/89/95/582718995.db2.gz UVFLZWMUFBLYCF-UHFFFAOYSA-N 1 0 248.286 0.113 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891812816 582725053 /nfs/dbraw/zinc/72/50/53/582725053.db2.gz DWKXZZMMABZPAV-WCQYABFASA-N 1 0 235.331 0.651 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cnc(C)nc1C ZINC000779795283 582733105 /nfs/dbraw/zinc/73/31/05/582733105.db2.gz RJULAZITZHVPNB-ZETCQYMHSA-N 1 0 246.318 0.755 20 30 BCEDRO N#CC1(CNC(=O)N2C3CCC2(C[NH3+])CC3)CC1 ZINC000891877297 582734243 /nfs/dbraw/zinc/73/42/43/582734243.db2.gz YKMDZXKXJJQBQZ-UHFFFAOYSA-N 1 0 248.330 0.955 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C(C)C ZINC000891904740 582736292 /nfs/dbraw/zinc/73/62/92/582736292.db2.gz MJCYSBILMOITFC-DCAQKATOSA-N 1 0 221.304 0.400 20 30 BCEDRO C=C(C)CCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891936799 582740433 /nfs/dbraw/zinc/74/04/33/582740433.db2.gz SOBQVNQSSGWIOX-UWVGGRQHSA-N 1 0 209.293 0.708 20 30 BCEDRO C=CCONC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000891942233 582741691 /nfs/dbraw/zinc/74/16/91/582741691.db2.gz CCAZWTWFAGBJHB-MGCOHNPYSA-N 1 0 227.308 0.921 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891943521 582742466 /nfs/dbraw/zinc/74/24/66/582742466.db2.gz OSKNIPILDRNSAA-AOOOYVTPSA-N 1 0 211.309 0.989 20 30 BCEDRO COc1cccc(NC(=[NH2+])NC[C@@H](C)O)c1 ZINC000104153309 582791907 /nfs/dbraw/zinc/79/19/07/582791907.db2.gz WRTZPVRKRDBEPX-MRVPVSSYSA-N 1 0 223.276 0.803 20 30 BCEDRO CN1CC[C@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000135484581 582802626 /nfs/dbraw/zinc/80/26/26/582802626.db2.gz LTVGTXVEJFEJBQ-VIFPVBQESA-N 1 0 205.261 0.945 20 30 BCEDRO CON=CC(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000855899799 588853037 /nfs/dbraw/zinc/85/30/37/588853037.db2.gz ULLXFSQCVKOBEW-LLVKDONJSA-N 1 0 241.335 0.855 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCOCC(F)(F)F)N1 ZINC000848988324 582818638 /nfs/dbraw/zinc/81/86/38/582818638.db2.gz SYYMHGWDPJEDGB-SSDOTTSWSA-N 1 0 239.241 0.893 20 30 BCEDRO C[NH+]=C(NC[C@@]1(C)CCOC1)NC1CC1 ZINC000849008145 582822473 /nfs/dbraw/zinc/82/24/73/582822473.db2.gz UMWCGNXRXBACNL-LLVKDONJSA-N 1 0 211.309 0.740 20 30 BCEDRO CNC(NC[C@H](OC)C(F)(F)F)=[NH+]C ZINC000849008879 582822810 /nfs/dbraw/zinc/82/28/10/582822810.db2.gz WVFHGJLMMCRPFH-YFKPBYRVSA-N 1 0 213.203 0.359 20 30 BCEDRO C#CCOCCNC(=[NH2+])NC1CCCC1 ZINC000849018187 582827602 /nfs/dbraw/zinc/82/76/02/582827602.db2.gz WNYUGOFRSRADQY-UHFFFAOYSA-N 1 0 209.293 0.693 20 30 BCEDRO CN(C)C(=[NH+][C@@H]1CCn2ccnc2C1)N(C)C ZINC000849020480 582828344 /nfs/dbraw/zinc/82/83/44/582828344.db2.gz VZUMBORDFHRWEO-SNVBAGLBSA-N 1 0 235.335 0.677 20 30 BCEDRO C#CCN(C(=O)NC[C@H]1C[C@H]([NH3+])C1)C1CC1 ZINC000892565585 582915626 /nfs/dbraw/zinc/91/56/26/582915626.db2.gz BGHSQXOSKQFGFC-MGCOHNPYSA-N 1 0 221.304 0.531 20 30 BCEDRO C#CCOCCN1CC[C@](F)(C(=O)OC)C1 ZINC000851795533 582968288 /nfs/dbraw/zinc/96/82/88/582968288.db2.gz DRPMVYLAKRYNLB-LLVKDONJSA-N 1 0 229.251 0.223 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NCCC(C)(C)[NH3+] ZINC000892850775 582996048 /nfs/dbraw/zinc/99/60/48/582996048.db2.gz NHEVQABXAOBPNM-SNVBAGLBSA-N 1 0 243.351 0.740 20 30 BCEDRO C[C@H](O)CN(C)N=C1C[NH+]2CCC1CC2 ZINC000841649564 583011320 /nfs/dbraw/zinc/01/13/20/583011320.db2.gz CYKRXMDVCYIQSR-VIFPVBQESA-N 1 0 211.309 0.381 20 30 BCEDRO C#CCC[N@@H+](CCOC)Cc1ccn(C)c(=O)c1 ZINC000852752162 583016819 /nfs/dbraw/zinc/01/68/19/583016819.db2.gz VRNBCKRPSNCIGN-UHFFFAOYSA-N 1 0 248.326 0.857 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)C#CC2CC2)CC[NH2+]1 ZINC000856490880 588873769 /nfs/dbraw/zinc/87/37/69/588873769.db2.gz UAENBEACPQXNIY-GFCCVEGCSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000856489145 588873956 /nfs/dbraw/zinc/87/39/56/588873956.db2.gz KFEPZNMZUSYNDC-NEPJUHHUSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCCCNS(=O)(=O)CCC[NH+](C)C ZINC000866885851 583058072 /nfs/dbraw/zinc/05/80/72/583058072.db2.gz MHNDHTHAZDNOFS-UHFFFAOYSA-N 1 0 232.349 0.271 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000856736284 588875592 /nfs/dbraw/zinc/87/55/92/588875592.db2.gz GFWPQQUGPQYPEQ-QWRGUYRKSA-N 1 0 226.320 0.648 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H]1COC(C)(C)O1 ZINC000893282735 583084593 /nfs/dbraw/zinc/08/45/93/583084593.db2.gz GNTGFYXPIMUXLW-QWRGUYRKSA-N 1 0 229.320 0.912 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000893285565 583085907 /nfs/dbraw/zinc/08/59/07/583085907.db2.gz XTGKCXNXUWOMBW-WHXUTIOJSA-N 1 0 247.360 0.336 20 30 BCEDRO C#CCCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000893303283 583094780 /nfs/dbraw/zinc/09/47/80/583094780.db2.gz MPDYMXHKBKICLD-NWDGAFQWSA-N 1 0 235.331 0.745 20 30 BCEDRO CC(C)C[C@H](CO)[N@H+](C)CC(=O)NCCC#N ZINC000775752519 583103184 /nfs/dbraw/zinc/10/31/84/583103184.db2.gz AFFNCAXPOQFPSJ-LLVKDONJSA-N 1 0 241.335 0.355 20 30 BCEDRO CC[S@@](=O)CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857234686 583136049 /nfs/dbraw/zinc/13/60/49/583136049.db2.gz SVLVDNYSXUZOJV-QLJPJBMISA-N 1 0 246.376 0.645 20 30 BCEDRO COCCOC[C@H](C)[NH2+]CCCC#N ZINC000893514647 583155446 /nfs/dbraw/zinc/15/54/46/583155446.db2.gz LOAOIKSTZNWTIN-JTQLQIEISA-N 1 0 200.282 0.931 20 30 BCEDRO CCOc1ccc(C=NNC2=[NH+]CCN2)c(O)c1 ZINC000841663295 583167450 /nfs/dbraw/zinc/16/74/50/583167450.db2.gz XIHGTPYQGSBXFI-UHFFFAOYSA-N 1 0 248.286 0.674 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)COCCOC)[C@H]1CCCO1 ZINC000893677215 583195716 /nfs/dbraw/zinc/19/57/16/583195716.db2.gz QVDWUSBDUULHCU-FRRDWIJNSA-N 1 0 241.331 0.808 20 30 BCEDRO Cc1nc(C#N)cc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000893933514 583251550 /nfs/dbraw/zinc/25/15/50/583251550.db2.gz ABEWSXUPAXZVOI-ZYHUDNBSSA-N 1 0 243.314 0.797 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(c3ccc(C#N)nn3)[C@@H]2C1 ZINC000893934128 583252381 /nfs/dbraw/zinc/25/23/81/583252381.db2.gz FODGAIZMCCUBDH-GXSJLCMTSA-N 1 0 229.287 0.489 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[C@H]3C[N@@H+](C)C[C@@H]32)n1 ZINC000893938446 583253564 /nfs/dbraw/zinc/25/35/64/583253564.db2.gz CPQDAQZKLXCBEY-JQWIXIFHSA-N 1 0 243.314 0.797 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NCC[C@H](C)[NH3+] ZINC000857110414 588888924 /nfs/dbraw/zinc/88/89/24/588888924.db2.gz RWLRSDKWLMEXKF-UWVGGRQHSA-N 1 0 229.324 0.350 20 30 BCEDRO C#CC[N@@H+](C)CCCNc1cc(N(C)C)ncn1 ZINC000893989166 583269879 /nfs/dbraw/zinc/26/98/79/583269879.db2.gz SQMSREXSVLBUKX-UHFFFAOYSA-N 1 0 247.346 0.910 20 30 BCEDRO O=C(C#CC1CC1)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877270886 583306223 /nfs/dbraw/zinc/30/62/23/583306223.db2.gz ABCPTUYTVHDJMN-NEPJUHHUSA-N 1 0 218.300 0.753 20 30 BCEDRO O=C(C#CC1CC1)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877270900 583306326 /nfs/dbraw/zinc/30/63/26/583306326.db2.gz ABCPTUYTVHDJMN-VXGBXAGGSA-N 1 0 218.300 0.753 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CN2CCC2=O)C1 ZINC000857236177 588900118 /nfs/dbraw/zinc/90/01/18/588900118.db2.gz CYZIIWQRRMOXHH-LLVKDONJSA-N 1 0 206.289 0.912 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCc1cnccn1 ZINC000857237951 588900856 /nfs/dbraw/zinc/90/08/56/588900856.db2.gz YEKVOKCLQAQODW-GFCCVEGCSA-N 1 0 248.330 0.909 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@H]1CC1(F)F ZINC000857238776 588900957 /nfs/dbraw/zinc/90/09/57/588900957.db2.gz CISOPHSOWZBUPC-VIFPVBQESA-N 1 0 230.258 0.761 20 30 BCEDRO C#CCCCCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000878300540 583369356 /nfs/dbraw/zinc/36/93/56/583369356.db2.gz KIFVGFVSNWCWPK-NSHDSACASA-N 1 0 244.360 0.543 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC1CC([NH+](C)C)C1 ZINC000857228010 588896337 /nfs/dbraw/zinc/89/63/37/588896337.db2.gz XKZIQNZWBKACJB-AMUVOQDHSA-N 1 0 212.293 0.132 20 30 BCEDRO CCOc1ccccc1C=NNC(N)=[NH2+] ZINC000017324231 583440476 /nfs/dbraw/zinc/44/04/76/583440476.db2.gz SAXGMFNHXQOZTQ-UHFFFAOYSA-N 1 0 206.249 0.902 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1COCC1(C)C ZINC000894437449 583459870 /nfs/dbraw/zinc/45/98/70/583459870.db2.gz OOVCZIFWCIBQTF-JTQLQIEISA-N 1 0 247.360 0.602 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCC3(C#N)CC3)[C@@H]2C1 ZINC000894568386 583485079 /nfs/dbraw/zinc/48/50/79/583485079.db2.gz BSXTYEHIBPLMQB-WDEREUQCSA-N 1 0 248.330 0.636 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H](C)[NH2+][C@H](CC)CO ZINC000857330609 588905900 /nfs/dbraw/zinc/90/59/00/588905900.db2.gz VFVUIAWBXIYEEI-VXGBXAGGSA-N 1 0 240.347 0.936 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](CF)C1 ZINC000880238171 583509293 /nfs/dbraw/zinc/50/92/93/583509293.db2.gz QKCMVPQKBVGJJD-LLVKDONJSA-N 1 0 226.295 0.807 20 30 BCEDRO C#C[C@H](C)[NH2+]C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894737542 583514689 /nfs/dbraw/zinc/51/46/89/583514689.db2.gz BXJJHFILVLPORF-RNJXMRFFSA-N 1 0 217.215 0.652 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)COC(C)=O ZINC000894770018 583516960 /nfs/dbraw/zinc/51/69/60/583516960.db2.gz SEDMNWGGULNDSR-GXSJLCMTSA-N 1 0 215.293 0.855 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](CF)C1 ZINC000880299742 583526368 /nfs/dbraw/zinc/52/63/68/583526368.db2.gz KZQGSTYRTXZPOK-SNVBAGLBSA-N 1 0 212.268 0.417 20 30 BCEDRO CON(C)C(=O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000895046709 583572184 /nfs/dbraw/zinc/57/21/84/583572184.db2.gz RARWQHQYVVQARS-DTWKUNHWSA-N 1 0 211.265 0.288 20 30 BCEDRO CCC[C@H]1CN(c2nccnc2C#N)CC[NH2+]1 ZINC000895057674 583575158 /nfs/dbraw/zinc/57/51/58/583575158.db2.gz HCJFKYIUIFWHAQ-JTQLQIEISA-N 1 0 231.303 0.927 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)Cc1cnccn1 ZINC000895097119 583588135 /nfs/dbraw/zinc/58/81/35/583588135.db2.gz DLNCQFVNTMGZDX-RYUDHWBXSA-N 1 0 233.315 0.772 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000895097659 583588387 /nfs/dbraw/zinc/58/83/87/583588387.db2.gz HDHFDGQNQUBVFE-YNEHKIRRSA-N 1 0 241.331 0.402 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H](C)Cc1cnccn1 ZINC000895097120 583588429 /nfs/dbraw/zinc/58/84/29/583588429.db2.gz DLNCQFVNTMGZDX-VXGBXAGGSA-N 1 0 233.315 0.772 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000895097654 583588438 /nfs/dbraw/zinc/58/84/38/583588438.db2.gz HDHFDGQNQUBVFE-UPJWGTAASA-N 1 0 241.331 0.402 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc(Cl)nn1 ZINC000895097413 583588467 /nfs/dbraw/zinc/58/84/67/583588467.db2.gz FNTIERKQRUUZIE-JTQLQIEISA-N 1 0 239.706 0.994 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1ocnc1C ZINC000895103548 583589115 /nfs/dbraw/zinc/58/91/15/583589115.db2.gz XKROLWFKLHVDHM-SNVBAGLBSA-N 1 0 208.261 0.847 20 30 BCEDRO O=C1[C@@H]([NH2+]CCC[C@@H]2CCO2)CCCN1O ZINC000895158847 583608382 /nfs/dbraw/zinc/60/83/82/583608382.db2.gz PIHXZSCDFASPRF-ZJUUUORDSA-N 1 0 228.292 0.525 20 30 BCEDRO CCC[C@@H](C[NH2+][C@@H]1CCCN(O)C1=O)OC ZINC000895158627 583608536 /nfs/dbraw/zinc/60/85/36/583608536.db2.gz LEJPLODASFIIOS-VHSXEESVSA-N 1 0 230.308 0.771 20 30 BCEDRO CC(C)OC[C@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895158928 583608689 /nfs/dbraw/zinc/60/86/89/583608689.db2.gz QXFQAYSLYQWHJI-UWVGGRQHSA-N 1 0 230.308 0.770 20 30 BCEDRO CSC1(C[NH2+][C@@H]2CCCN(O)C2=O)CC1 ZINC000895159976 583608995 /nfs/dbraw/zinc/60/89/95/583608995.db2.gz ZFIZNUZMZFWAGA-MRVPVSSYSA-N 1 0 230.333 0.852 20 30 BCEDRO C[C@@H]1C[C@H](N[C@@H]2CCCN(O)C2=O)CC[N@@H+]1C ZINC000895159420 583609119 /nfs/dbraw/zinc/60/91/19/583609119.db2.gz VMCBYLAIGUBPEY-GMTAPVOTSA-N 1 0 241.335 0.439 20 30 BCEDRO COC1CCC([NH2+][C@@H]2CCCN(O)C2=O)CC1 ZINC000895160358 583609446 /nfs/dbraw/zinc/60/94/46/583609446.db2.gz MJPVNTBBXHMNDQ-VQXHTEKXSA-N 1 0 242.319 0.914 20 30 BCEDRO O=C1[C@H]([NH2+][C@H]2CCCOC2)CCCN1O ZINC000895160609 583609677 /nfs/dbraw/zinc/60/96/77/583609677.db2.gz BUMHMLYXGXQBQL-DTWKUNHWSA-N 1 0 214.265 0.135 20 30 BCEDRO O=C1[C@@H]([NH2+][C@H]2CCCOC2)CCCN1O ZINC000895160610 583609881 /nfs/dbraw/zinc/60/98/81/583609881.db2.gz BUMHMLYXGXQBQL-IUCAKERBSA-N 1 0 214.265 0.135 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCN(O)C2=O)C1 ZINC000895160706 583610014 /nfs/dbraw/zinc/61/00/14/583610014.db2.gz OSCYYRVOEAVUPG-UTLUCORTSA-N 1 0 223.276 0.648 20 30 BCEDRO C[NH+]1CCC(N[C@H]2CCCN(O)C2=O)CC1 ZINC000895161845 583610260 /nfs/dbraw/zinc/61/02/60/583610260.db2.gz IAVDQTDKTZLHKS-JTQLQIEISA-N 1 0 227.308 0.050 20 30 BCEDRO COCC[C@@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895161823 583610623 /nfs/dbraw/zinc/61/06/23/583610623.db2.gz UUYOVYMJYNRUHH-BDAKNGLRSA-N 1 0 216.281 0.381 20 30 BCEDRO C[C@@H]([NH2+][C@H]1CCCN(O)C1=O)C1CCOCC1 ZINC000895162432 583610748 /nfs/dbraw/zinc/61/07/48/583610748.db2.gz ZLOVEOOYFMXFHI-KOLCDFICSA-N 1 0 242.319 0.771 20 30 BCEDRO C[C@@H]([NH2+][C@@H]1CCCN(O)C1=O)C1CCOCC1 ZINC000895162433 583610982 /nfs/dbraw/zinc/61/09/82/583610982.db2.gz ZLOVEOOYFMXFHI-MWLCHTKSSA-N 1 0 242.319 0.771 20 30 BCEDRO O=C1[C@@H]([NH2+][C@@H]2COC3(CCC3)C2)CCCN1O ZINC000895193189 583622295 /nfs/dbraw/zinc/62/22/95/583622295.db2.gz MRMGTEYJEKKSDQ-UWVGGRQHSA-N 1 0 240.303 0.668 20 30 BCEDRO O=C1[C@H]([NH2+][C@@H]2COC3(CCC3)C2)CCCN1O ZINC000895193190 583622437 /nfs/dbraw/zinc/62/24/37/583622437.db2.gz MRMGTEYJEKKSDQ-VHSXEESVSA-N 1 0 240.303 0.668 20 30 BCEDRO CC1(O)CCC([NH2+][C@@H]2CCCN(O)C2=O)CC1 ZINC000895194591 583622599 /nfs/dbraw/zinc/62/25/99/583622599.db2.gz ZSVZWHUJRLLUQG-SQLBVSGCSA-N 1 0 242.319 0.650 20 30 BCEDRO CC1(C)CNC(=O)[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000895322696 583650016 /nfs/dbraw/zinc/65/00/16/583650016.db2.gz FFKCARLFJAWCAX-BBBLOLIVSA-N 1 0 221.304 0.793 20 30 BCEDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000895325861 583651287 /nfs/dbraw/zinc/65/12/87/583651287.db2.gz VEIWFKXVZMAOOK-OLZOCXBDSA-N 1 0 247.298 0.271 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(C)(C)N1CCOCC1 ZINC000895340182 583654241 /nfs/dbraw/zinc/65/42/41/583654241.db2.gz KUFFAVBNAALCEF-LLVKDONJSA-N 1 0 228.336 0.234 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2c(C)nn(C)c2C)CC1 ZINC000895380428 583661719 /nfs/dbraw/zinc/66/17/19/583661719.db2.gz QHAFDLBRMYPNKI-UHFFFAOYSA-N 1 0 247.342 0.997 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895458071 583677088 /nfs/dbraw/zinc/67/70/88/583677088.db2.gz BKPZAOLJXUEXDK-LLVKDONJSA-N 1 0 221.304 0.934 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895461313 583677813 /nfs/dbraw/zinc/67/78/13/583677813.db2.gz IRLBNYSXMAQTPR-LLVKDONJSA-N 1 0 221.304 0.934 20 30 BCEDRO C#CCSCC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000895538950 583687488 /nfs/dbraw/zinc/68/74/88/583687488.db2.gz LVJONMYUEXSGJB-LLVKDONJSA-N 1 0 240.372 0.953 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000895675242 583704254 /nfs/dbraw/zinc/70/42/54/583704254.db2.gz CUHSUUGUVBELHL-AXFHLTTASA-N 1 0 221.304 0.354 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@H](C)COCCOC ZINC000895672836 583707049 /nfs/dbraw/zinc/70/70/49/583707049.db2.gz XTWUASANJKHTTK-NEPJUHHUSA-N 1 0 229.320 0.666 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CCCNC(=O)C1 ZINC000895712817 583710656 /nfs/dbraw/zinc/71/06/56/583710656.db2.gz DGURZYKXWVYDDF-QWRGUYRKSA-N 1 0 226.320 0.572 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000895713285 583711291 /nfs/dbraw/zinc/71/12/91/583711291.db2.gz MPSHJGUGROQDBI-JHJVBQTASA-N 1 0 243.347 0.955 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2CCNC(=O)CC2)C1 ZINC000895747733 583716369 /nfs/dbraw/zinc/71/63/69/583716369.db2.gz JIULWWHYRMLXOW-QWHCGFSZSA-N 1 0 249.358 0.342 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C2CSC2)C1 ZINC000895747192 583716732 /nfs/dbraw/zinc/71/67/32/583716732.db2.gz FDCHCVVFDAQOEA-JTQLQIEISA-N 1 0 210.346 0.789 20 30 BCEDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000895796780 583730538 /nfs/dbraw/zinc/73/05/38/583730538.db2.gz PKGNVTHKUZKQQO-YTWAJWBKSA-N 1 0 242.344 0.701 20 30 BCEDRO C#CCSCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000895816631 583734099 /nfs/dbraw/zinc/73/40/99/583734099.db2.gz BXUUISSCAFVEQI-JTQLQIEISA-N 1 0 226.345 0.421 20 30 BCEDRO C[C@H](C#N)Oc1ccc(C=NNC(N)=[NH2+])cc1 ZINC000727686622 583737387 /nfs/dbraw/zinc/73/73/87/583737387.db2.gz GHFCSSVJMRZYQC-MRVPVSSYSA-N 1 0 231.259 0.794 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnn(C)c1C1CC1 ZINC000895963407 583753707 /nfs/dbraw/zinc/75/37/07/583753707.db2.gz HQTNWKZKUAFPEB-GFCCVEGCSA-N 1 0 233.315 0.771 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccnc(OC)c1F ZINC000895965194 583753741 /nfs/dbraw/zinc/75/37/41/583753741.db2.gz UYMIZFHUVJOOCL-JTQLQIEISA-N 1 0 238.262 0.703 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(OC)cn1 ZINC000895963461 583753997 /nfs/dbraw/zinc/75/39/97/583753997.db2.gz IRSWQVMNSWUGIA-NSHDSACASA-N 1 0 220.272 0.564 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895965142 583754089 /nfs/dbraw/zinc/75/40/89/583754089.db2.gz SPWGDKCZSCXFTJ-LBPRGKRZSA-N 1 0 233.315 0.771 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895982717 583758218 /nfs/dbraw/zinc/75/82/18/583758218.db2.gz PDOHPJINUUBVQU-GXSJLCMTSA-N 1 0 237.303 0.125 20 30 BCEDRO CC1(C)[C@@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CS1(=O)=O ZINC000895982810 583758422 /nfs/dbraw/zinc/75/84/22/583758422.db2.gz FZZCXYQHWFFRGV-BBBLOLIVSA-N 1 0 242.344 0.844 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cn(CC)nn1 ZINC000896035125 583764561 /nfs/dbraw/zinc/76/45/61/583764561.db2.gz NMXFCLDONOXAFB-JTQLQIEISA-N 1 0 224.308 0.715 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000896035927 583765010 /nfs/dbraw/zinc/76/50/10/583765010.db2.gz XUYXOVSNQLGMEY-HSOILSAZSA-N 1 0 247.360 0.479 20 30 BCEDRO C#CCSCC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000896116332 583772131 /nfs/dbraw/zinc/77/21/31/583772131.db2.gz WKEHZBHYCQGMGE-LLVKDONJSA-N 1 0 240.372 0.905 20 30 BCEDRO C#Cc1cnc(NC[C@@H](C[NH+](C)C)OCC)nc1 ZINC000896110765 583772826 /nfs/dbraw/zinc/77/28/26/583772826.db2.gz BVZJOZGQWGZAIR-LBPRGKRZSA-N 1 0 248.330 0.837 20 30 BCEDRO C=CC[C@H](C)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896413760 583801049 /nfs/dbraw/zinc/80/10/49/583801049.db2.gz HTXFUKDFTYFERN-JQWIXIFHSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCCC(=O)N[C@@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896564061 583812764 /nfs/dbraw/zinc/81/27/64/583812764.db2.gz NPKOZVABKWLZML-RYUDHWBXSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCCC(=O)N[C@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896564062 583812774 /nfs/dbraw/zinc/81/27/74/583812774.db2.gz NPKOZVABKWLZML-VXGBXAGGSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CC(C)(C)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000896618552 583818043 /nfs/dbraw/zinc/81/80/43/583818043.db2.gz FBKVTGPAILARGE-VIFPVBQESA-N 1 0 211.309 0.954 20 30 BCEDRO C#CCSCC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000896665760 583822014 /nfs/dbraw/zinc/82/20/14/583822014.db2.gz CAXUGMJRMDWPBS-WDEREUQCSA-N 1 0 240.372 0.952 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCO[C@H]2CCOC2)n1 ZINC000897201517 583893256 /nfs/dbraw/zinc/89/32/56/583893256.db2.gz KDGKRNPMSMOUKY-ZDUSSCGKSA-N 1 0 247.298 0.848 20 30 BCEDRO C#CCOCCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000121675364 583909548 /nfs/dbraw/zinc/90/95/48/583909548.db2.gz VFFICVCAHREFBE-LLVKDONJSA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCSCC(=O)NCC1=CC[N@H+](C)CC1 ZINC000897310263 583914016 /nfs/dbraw/zinc/91/40/16/583914016.db2.gz OFFZQLBLWDWZCA-UHFFFAOYSA-N 1 0 238.356 0.731 20 30 BCEDRO CC#CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897336040 583924528 /nfs/dbraw/zinc/92/45/28/583924528.db2.gz MXZDIKUVIKXFSY-GFCCVEGCSA-N 1 0 236.315 0.237 20 30 BCEDRO CC#CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897336041 583924557 /nfs/dbraw/zinc/92/45/57/583924557.db2.gz MXZDIKUVIKXFSY-LBPRGKRZSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccnn1C ZINC000858333498 588943448 /nfs/dbraw/zinc/94/34/48/588943448.db2.gz IIRBLUJSHNAESN-LLVKDONJSA-N 1 0 221.304 0.938 20 30 BCEDRO N#CCCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897367952 583942879 /nfs/dbraw/zinc/94/28/79/583942879.db2.gz KEGYWEHZAPNHGA-LLVKDONJSA-N 1 0 237.303 0.127 20 30 BCEDRO C#C[C@@H](C)NC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897433882 583973545 /nfs/dbraw/zinc/97/35/45/583973545.db2.gz GJLNKTHUJIHWJY-NXEZZACHSA-N 1 0 208.305 0.997 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ncc[nH]1 ZINC000858333476 588946508 /nfs/dbraw/zinc/94/65/08/588946508.db2.gz HPKOQFUTFHDJLI-JTQLQIEISA-N 1 0 207.277 0.928 20 30 BCEDRO C[NH+](C)CCCNC(=O)N1CCC(C#N)CC1 ZINC000729581303 584018541 /nfs/dbraw/zinc/01/85/41/584018541.db2.gz QCCALVCNPCHMNY-UHFFFAOYSA-N 1 0 238.335 0.883 20 30 BCEDRO CC(C)(C)[N@@H+]1CC[C@@H]1C(=O)NCCC#N ZINC000897592965 584023733 /nfs/dbraw/zinc/02/37/33/584023733.db2.gz XTJLHNXRSQDYHS-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)Nc2cnn(CC#N)c2)C1 ZINC000729921527 584029474 /nfs/dbraw/zinc/02/94/74/584029474.db2.gz BFMNPFRDQVUIFA-SECBINFHSA-N 1 0 233.275 0.297 20 30 BCEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@@H]1O ZINC000897680566 584037859 /nfs/dbraw/zinc/03/78/59/584037859.db2.gz SQTOGUVFVSSBQM-CABZTGNLSA-N 1 0 217.272 0.766 20 30 BCEDRO C#CCSCC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000898588070 584143431 /nfs/dbraw/zinc/14/34/31/584143431.db2.gz VVOCFRHXZDDKAL-NSHDSACASA-N 1 0 240.372 0.905 20 30 BCEDRO C=CCNC(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000899241532 584185033 /nfs/dbraw/zinc/18/50/33/584185033.db2.gz JVPDIFLMVASBLU-VHSXEESVSA-N 1 0 209.293 0.423 20 30 BCEDRO CNC(NCCc1cccnc1C)=[NH+]C ZINC000899264040 584189024 /nfs/dbraw/zinc/18/90/24/584189024.db2.gz XDBMIPFPLHNTNA-UHFFFAOYSA-N 1 0 206.293 0.727 20 30 BCEDRO CNC(NC[C@@H]1CCC2(CCOCC2)O1)=[NH+]C ZINC000899261738 584190105 /nfs/dbraw/zinc/19/01/05/584190105.db2.gz AACICBSNPNBNFW-JTQLQIEISA-N 1 0 241.335 0.509 20 30 BCEDRO CCNC(NCCO[C@H]1CCOC1)=[NH+]CC ZINC000899261929 584190372 /nfs/dbraw/zinc/19/03/72/584190372.db2.gz CPZWLOPETYZZHT-JTQLQIEISA-N 1 0 229.324 0.367 20 30 BCEDRO CCNC(NCC1CC2(C1)OCCO2)=[NH+]CC ZINC000899262248 584190582 /nfs/dbraw/zinc/19/05/82/584190582.db2.gz IDWXINGIUNLIJN-UHFFFAOYSA-N 1 0 241.335 0.715 20 30 BCEDRO CNC(NCCNc1ccc(C)cn1)=[NH+]C ZINC000899262628 584190638 /nfs/dbraw/zinc/19/06/38/584190638.db2.gz ORBOTVWPTPTTHK-UHFFFAOYSA-N 1 0 221.308 0.597 20 30 BCEDRO CNC(NCCOC1CCSCC1)=[NH+]C ZINC000899263561 584190842 /nfs/dbraw/zinc/19/08/42/584190842.db2.gz CTBXQZLDQCWTIA-UHFFFAOYSA-N 1 0 231.365 0.693 20 30 BCEDRO C[N@H+](CCO)CCNC(=O)c1ccc(C#N)cc1 ZINC000899726504 584229702 /nfs/dbraw/zinc/22/97/02/584229702.db2.gz OODUQJVKAODGLI-UHFFFAOYSA-N 1 0 247.298 0.212 20 30 BCEDRO CON(C)C(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000858580698 588968681 /nfs/dbraw/zinc/96/86/81/588968681.db2.gz ULHPRDAHXQMVET-AEJSXWLSSA-N 1 0 225.292 0.677 20 30 BCEDRO CON(C)C(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000858580699 588968856 /nfs/dbraw/zinc/96/88/56/588968856.db2.gz ULHPRDAHXQMVET-GUBZILKMSA-N 1 0 225.292 0.677 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](O)CN(C)CCC#N ZINC000899914638 584254064 /nfs/dbraw/zinc/25/40/64/584254064.db2.gz OGCLNVMHBWAWTP-OLZOCXBDSA-N 1 0 237.347 0.843 20 30 BCEDRO CON(C)C(=O)[C@@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000858587977 588969873 /nfs/dbraw/zinc/96/98/73/588969873.db2.gz ULHPRDAHXQMVET-UTLUCORTSA-N 1 0 225.292 0.677 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccncc1 ZINC000900011353 584265836 /nfs/dbraw/zinc/26/58/36/584265836.db2.gz PQIMLEWSANEHLZ-UHFFFAOYSA-N 1 0 219.288 0.950 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C(=O)OC ZINC000900102289 584271517 /nfs/dbraw/zinc/27/15/17/584271517.db2.gz RSCFEEHSEYWARR-VIFPVBQESA-N 1 0 228.292 0.172 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1cnn(C)c1 ZINC000900170042 584281878 /nfs/dbraw/zinc/28/18/78/584281878.db2.gz DWTRUSYKFGYIIU-UHFFFAOYSA-N 1 0 222.292 0.867 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)Cc1cnc[nH]1 ZINC000900329758 584295181 /nfs/dbraw/zinc/29/51/81/584295181.db2.gz VUKBFWHIBXMFBK-MRVPVSSYSA-N 1 0 206.249 0.570 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC(=O)OCC ZINC000900399725 584302736 /nfs/dbraw/zinc/30/27/36/584302736.db2.gz IHZPGFHZBNFXMD-UHFFFAOYSA-N 1 0 242.319 0.516 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc[nH]n1 ZINC000900416567 584306587 /nfs/dbraw/zinc/30/65/87/584306587.db2.gz ARUGGOCBKICRMD-UHFFFAOYSA-N 1 0 208.265 0.856 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900432178 584309057 /nfs/dbraw/zinc/30/90/57/584309057.db2.gz BZAZUMTYORLRES-JQWIXIFHSA-N 1 0 239.319 0.252 20 30 BCEDRO C#CCCN1CCN(C(=O)[C@H](O)/C=C/C)CC1 ZINC000900473026 584314041 /nfs/dbraw/zinc/31/40/41/584314041.db2.gz BUKONGXONQNDFK-FVOPLDGLSA-N 1 0 236.315 0.091 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](C)C(=O)OC ZINC000900500161 584319297 /nfs/dbraw/zinc/31/92/97/584319297.db2.gz FALYFCKDPLLWGA-SNVBAGLBSA-N 1 0 242.319 0.420 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)OC(C)C ZINC000900575807 584327470 /nfs/dbraw/zinc/32/74/70/584327470.db2.gz INMMQPZCWURXNC-UHFFFAOYSA-N 1 0 242.319 0.562 20 30 BCEDRO CC[NH2+]Cc1cn(Cc2cc(C#N)ccn2)nn1 ZINC000900628643 584333327 /nfs/dbraw/zinc/33/33/27/584333327.db2.gz LUZJHMGHOVOZEL-UHFFFAOYSA-N 1 0 242.286 0.703 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)Cc1ncc[nH]1 ZINC000900629332 584333580 /nfs/dbraw/zinc/33/35/80/584333580.db2.gz JXTDIBVVYUXQHT-UHFFFAOYSA-N 1 0 236.319 0.876 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900648654 584335374 /nfs/dbraw/zinc/33/53/74/584335374.db2.gz IXGUTULTQXAPBG-CMPLNLGQSA-N 1 0 239.319 0.109 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC1(C)COC1 ZINC000900680467 584340669 /nfs/dbraw/zinc/34/06/69/584340669.db2.gz DNAKSJACTLMEPE-UHFFFAOYSA-N 1 0 226.320 0.647 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC[C@@H](C)O ZINC000900755106 584345490 /nfs/dbraw/zinc/34/54/90/584345490.db2.gz MVVHKGHQJVQXHP-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=CC[C@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900741043 584347803 /nfs/dbraw/zinc/34/78/03/584347803.db2.gz GELUIWDERNCNOG-AAEUAGOBSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](COC)C1 ZINC000900789937 584352132 /nfs/dbraw/zinc/35/21/32/584352132.db2.gz MVDWLQQDHJSTHR-GFCCVEGCSA-N 1 0 240.347 0.989 20 30 BCEDRO C[C@H](NC(=O)C#CC1CC1)[C@H]1C[N@H+](C)CCN1C ZINC000900809874 584355526 /nfs/dbraw/zinc/35/55/26/584355526.db2.gz FBFFLVPCGGOTAT-WCQYABFASA-N 1 0 249.358 0.150 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@](C)(O)C1CC1 ZINC000900898701 584363625 /nfs/dbraw/zinc/36/36/25/584363625.db2.gz AXEIVQXPMUGWGB-ZDUSSCGKSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCSCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000900938447 584367101 /nfs/dbraw/zinc/36/71/01/584367101.db2.gz XQZSYRJLYHVYHU-UHFFFAOYSA-N 1 0 226.345 0.563 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CCCO ZINC000901017434 584373913 /nfs/dbraw/zinc/37/39/13/584373913.db2.gz MTERQXXWKYWCDF-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C=C[C@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901016141 584374285 /nfs/dbraw/zinc/37/42/85/584374285.db2.gz BPUQVBWPQSDQAE-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](O)CCC ZINC000901072841 584381677 /nfs/dbraw/zinc/38/16/77/584381677.db2.gz KFROUYSFENFAEH-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(C)COCCNC(=O)Cc1c[nH]cn1 ZINC000901080398 584381854 /nfs/dbraw/zinc/38/18/54/584381854.db2.gz CUPHNKCUYJNRRU-UHFFFAOYSA-N 1 0 223.276 0.661 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CCO)CC1CC1 ZINC000901151139 584391540 /nfs/dbraw/zinc/39/15/40/584391540.db2.gz GFLJUNDREUKRKH-UHFFFAOYSA-N 1 0 240.347 0.725 20 30 BCEDRO CC(=NNCCOC(C)C)c1c[nH]c(N)[nH+]1 ZINC000901215699 584401415 /nfs/dbraw/zinc/40/14/15/584401415.db2.gz SLGSGWJKCRQNST-UHFFFAOYSA-N 1 0 225.296 0.731 20 30 BCEDRO CCOc1ccc(C=NNC2=[NH+]C[C@@H](C)N2)o1 ZINC000901215625 584401527 /nfs/dbraw/zinc/40/15/27/584401527.db2.gz LAFHHDMTQVDXRE-MRVPVSSYSA-N 1 0 236.275 0.950 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnn(C3CCC3)c2)N1 ZINC000901215658 584401547 /nfs/dbraw/zinc/40/15/47/584401547.db2.gz LITLTOCKNMUFCK-VIFPVBQESA-N 1 0 246.318 0.879 20 30 BCEDRO Cc1cc(F)ncc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000901216011 584401644 /nfs/dbraw/zinc/40/16/44/584401644.db2.gz NCADMFQIEYQSFM-MRVPVSSYSA-N 1 0 235.266 0.800 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2csc(C#N)c2)N1 ZINC000901216875 584401779 /nfs/dbraw/zinc/40/17/79/584401779.db2.gz SBAQFFQSDIVGCH-SSDOTTSWSA-N 1 0 233.300 0.891 20 30 BCEDRO C[C@H]1CC(N=Nc2ccnn2C)C[N@@H+]1C ZINC000901220048 584402953 /nfs/dbraw/zinc/40/29/53/584402953.db2.gz ILQJAWOOKGQFFG-QMMMGPOBSA-N 1 0 207.281 0.912 20 30 BCEDRO CC(=NN[C@H]1CCSC1)c1c[nH]c(N)[nH+]1 ZINC000901238297 584405890 /nfs/dbraw/zinc/40/58/90/584405890.db2.gz BBXYTVIPRVQRAZ-ZETCQYMHSA-N 1 0 225.321 0.811 20 30 BCEDRO CCc1onc(C)c1C=NNC1=[NH+]CCN1 ZINC000901252660 584410217 /nfs/dbraw/zinc/41/02/17/584410217.db2.gz LGMWMIYOJKIUQU-UHFFFAOYSA-N 1 0 221.264 0.428 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(C)(OC)C1 ZINC000901273244 584412677 /nfs/dbraw/zinc/41/26/77/584412677.db2.gz HELBOHAUGGWKTP-UHFFFAOYSA-N 1 0 226.320 0.742 20 30 BCEDRO C=C[C@H](NC[C@H](C[NH+](C)C)OCC)C(=O)OC ZINC000901591979 584465603 /nfs/dbraw/zinc/46/56/03/584465603.db2.gz FZRRJPGXNDLSTK-MNOVXSKESA-N 1 0 244.335 0.270 20 30 BCEDRO C=C[C@@H](NC[C@@H](C[NH+](C)C)OCC)C(=O)OC ZINC000901591981 584465910 /nfs/dbraw/zinc/46/59/10/584465910.db2.gz FZRRJPGXNDLSTK-WDEREUQCSA-N 1 0 244.335 0.270 20 30 BCEDRO N#Cc1csc(CN[C@@H]2C[NH2+]CCOC2)n1 ZINC000902447685 584604810 /nfs/dbraw/zinc/60/48/10/584604810.db2.gz VCWNGTJJZNNZDO-SECBINFHSA-N 1 0 238.316 0.093 20 30 BCEDRO N#Cc1csc(CN[C@H]2CCC[C@@H]2[NH3+])n1 ZINC000902448358 584605824 /nfs/dbraw/zinc/60/58/24/584605824.db2.gz ZRNMCGWKFMCXII-IUCAKERBSA-N 1 0 222.317 0.984 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C ZINC000902929323 584698187 /nfs/dbraw/zinc/69/81/87/584698187.db2.gz SHLOFEZIMOXQOC-KWQFWETISA-N 1 0 232.287 0.709 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C ZINC000902929322 584698452 /nfs/dbraw/zinc/69/84/52/584698452.db2.gz SHLOFEZIMOXQOC-KCJUWKMLSA-N 1 0 232.287 0.709 20 30 BCEDRO COC[C@H](CO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902976157 584707441 /nfs/dbraw/zinc/70/74/41/584707441.db2.gz NTTIWJNJGZOKFA-ONGXEEELSA-N 1 0 235.287 0.611 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H](F)C1 ZINC000903001191 584715804 /nfs/dbraw/zinc/71/58/04/584715804.db2.gz MIGPKMFHJJTWCU-VIFPVBQESA-N 1 0 200.257 0.723 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903020035 584717597 /nfs/dbraw/zinc/71/75/97/584717597.db2.gz UWPSBDKWZPDGKA-GFCCVEGCSA-N 1 0 246.314 0.613 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903031905 584718679 /nfs/dbraw/zinc/71/86/79/584718679.db2.gz UNHYIZZYMVAMJY-SNVBAGLBSA-N 1 0 202.261 0.596 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903020917 584720994 /nfs/dbraw/zinc/72/09/94/584720994.db2.gz IWOIFEDXBKGMRA-NEPJUHHUSA-N 1 0 248.330 0.900 20 30 BCEDRO C[C@@H]([NH2+][C@@H]1COCC[C@H]1O)c1cc(C#N)ccn1 ZINC000903082230 584724955 /nfs/dbraw/zinc/72/49/55/584724955.db2.gz RKACRTCKXJUATG-OASPWFOLSA-N 1 0 247.298 0.754 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000801944032 584726689 /nfs/dbraw/zinc/72/66/89/584726689.db2.gz MVXWZLOOIPADGA-WDEREUQCSA-N 1 0 235.291 0.454 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903095727 584729186 /nfs/dbraw/zinc/72/91/86/584729186.db2.gz XQVFVCUTLWAKQE-VHSXEESVSA-N 1 0 224.308 0.793 20 30 BCEDRO COCC[N@H+](CCO[C@H](C)C#N)[C@@H]1CCOC1 ZINC000801952458 584730764 /nfs/dbraw/zinc/73/07/64/584730764.db2.gz XUPTTYXFDODMMV-VXGBXAGGSA-N 1 0 242.319 0.652 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000903564254 584782090 /nfs/dbraw/zinc/78/20/90/584782090.db2.gz SBKDZTJSEUXXPF-QWRGUYRKSA-N 1 0 209.293 0.210 20 30 BCEDRO C[C@@H]1C[NH2+]C[C@H]1CN1CCO[C@](C)(C#N)C1 ZINC000903824614 584804462 /nfs/dbraw/zinc/80/44/62/584804462.db2.gz RWAGGSQPUZFAOM-GRYCIOLGSA-N 1 0 223.320 0.456 20 30 BCEDRO C[C@]1(C#N)CN(C[C@H]2CCC[NH2+]2)CCO1 ZINC000903824627 584804564 /nfs/dbraw/zinc/80/45/64/584804564.db2.gz SCSKISUXDWWBDY-MNOVXSKESA-N 1 0 209.293 0.353 20 30 BCEDRO C[C@@]1(C#N)CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000903824363 584804750 /nfs/dbraw/zinc/80/47/50/584804750.db2.gz PPENPVJUGIIITF-CHWSQXEVSA-N 1 0 237.347 0.991 20 30 BCEDRO Cc1noc(C2CC3(C2)C[NH2+]C[C@@H]3C#N)n1 ZINC000904081086 584840283 /nfs/dbraw/zinc/84/02/83/584840283.db2.gz IUZZLCINOKVQAE-YUCVTWSNSA-N 1 0 218.260 0.985 20 30 BCEDRO N#CCCN1CCN(Cc2ccc(N)nn2)CC1 ZINC000904385381 584877927 /nfs/dbraw/zinc/87/79/27/584877927.db2.gz XBHNWZQOLJKMCE-UHFFFAOYSA-N 1 0 246.318 0.090 20 30 BCEDRO Cc1cc(NC2CCN(CC#N)CC2)nc(N)[nH+]1 ZINC000730566641 584912727 /nfs/dbraw/zinc/91/27/27/584912727.db2.gz BKAQKAHZZKCMSC-UHFFFAOYSA-N 1 0 246.318 0.767 20 30 BCEDRO CO[C@H]1CC(=NNC2=[NH+][C@@H](C)CN2)C12CCC2 ZINC000834971011 584916139 /nfs/dbraw/zinc/91/61/39/584916139.db2.gz SQHIIOILOCCPPO-WPRPVWTQSA-N 1 0 236.319 0.869 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC(O)CC1 ZINC000764192430 584925933 /nfs/dbraw/zinc/92/59/33/584925933.db2.gz FBWPIOAPQQWRSM-UHFFFAOYSA-N 1 0 212.293 0.088 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000732061998 584933587 /nfs/dbraw/zinc/93/35/87/584933587.db2.gz NKXKASBGMXZIAE-STQMWFEESA-N 1 0 249.358 0.152 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000733647280 584951459 /nfs/dbraw/zinc/95/14/59/584951459.db2.gz PINRRWHXUNBWHP-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C#CCOCCC(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000755904189 584999389 /nfs/dbraw/zinc/99/93/89/584999389.db2.gz NKETZHAUYCBGKT-GFCCVEGCSA-N 1 0 240.347 0.729 20 30 BCEDRO CCCNC(=[NH2+])NCCNC(=O)C(C)C ZINC000104155980 585012888 /nfs/dbraw/zinc/01/28/88/585012888.db2.gz FPXDIXCLKLPBOF-UHFFFAOYSA-N 1 0 214.313 0.073 20 30 BCEDRO C[N@H+](CCCn1ccnc1)CC(=O)NCCC#N ZINC000774744777 585034856 /nfs/dbraw/zinc/03/48/56/585034856.db2.gz KYYRKFSIPFAOEP-UHFFFAOYSA-N 1 0 249.318 0.235 20 30 BCEDRO C#CCN1CCN(C(=O)[C@H]2CCCC[N@H+]2C)CC1 ZINC000737851409 585038837 /nfs/dbraw/zinc/03/88/37/585038837.db2.gz VATXDNQZDUJVKZ-CYBMUJFWSA-N 1 0 249.358 0.248 20 30 BCEDRO CON=CC(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000838147222 585047164 /nfs/dbraw/zinc/04/71/64/585047164.db2.gz BCBKZJDYRCEKCH-SNVBAGLBSA-N 1 0 227.308 0.467 20 30 BCEDRO C#CCN(CC)C(=O)NCCC[N@H+](C)CC#C ZINC000838623308 585063927 /nfs/dbraw/zinc/06/39/27/585063927.db2.gz ZNTUHZXLBXENFI-UHFFFAOYSA-N 1 0 235.331 0.606 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CO[C@H](C)C2)C1 ZINC000886208911 585112931 /nfs/dbraw/zinc/11/29/31/585112931.db2.gz ACGSTUMQAGPMMH-FRRDWIJNSA-N 1 0 222.332 0.851 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cnc(C)n2C)C1 ZINC000886209624 585112998 /nfs/dbraw/zinc/11/29/98/585112998.db2.gz QBGDTKODFKYDSQ-ZDUSSCGKSA-N 1 0 246.358 0.916 20 30 BCEDRO CC[N@@H+]1CCC(=NN2CCN(C)CC2)[C@@H](C)C1 ZINC000741451427 585114214 /nfs/dbraw/zinc/11/42/14/585114214.db2.gz OSAQCDWQPLXWCA-LBPRGKRZSA-N 1 0 238.379 0.952 20 30 BCEDRO C[C@H]1CC(=NNC(=S)N(C)C)CC[N@@H+]1C ZINC000741464005 585114273 /nfs/dbraw/zinc/11/42/73/585114273.db2.gz JZNHCAFWRKEHDH-QMMMGPOBSA-N 1 0 228.365 0.893 20 30 BCEDRO NC(=[NH2+])NN=Cc1cc(-c2cccnc2)n[nH]1 ZINC000743416909 585136442 /nfs/dbraw/zinc/13/64/42/585136442.db2.gz CRLLBRQQLLGZQK-UHFFFAOYSA-N 1 0 229.247 0.289 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC000743492129 585137470 /nfs/dbraw/zinc/13/74/70/585137470.db2.gz PYCBGYYNGXOHDU-UHFFFAOYSA-N 1 0 247.302 0.022 20 30 BCEDRO C=CC[N@@H+](CCCC(=O)NC(N)=O)C(C)C ZINC000744195348 585145850 /nfs/dbraw/zinc/14/58/50/585145850.db2.gz FDTGNYBHSIPJOJ-UHFFFAOYSA-N 1 0 227.308 0.858 20 30 BCEDRO N#CCSCCC[N@@H+]1CCCNC(=O)C1 ZINC000745942738 585161786 /nfs/dbraw/zinc/16/17/86/585161786.db2.gz PSNNAIMHJLIVSJ-UHFFFAOYSA-N 1 0 227.333 0.455 20 30 BCEDRO C=CCN(C(=O)[C@H]1CN(C)CCO1)C(C)C ZINC000746217692 585165609 /nfs/dbraw/zinc/16/56/09/585165609.db2.gz AJQBVKKOXCUDIU-LLVKDONJSA-N 1 0 226.320 0.740 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)c2cn[nH]c2)CC1 ZINC000746445315 585167951 /nfs/dbraw/zinc/16/79/51/585167951.db2.gz ADVGSBLZXAJKMY-UHFFFAOYSA-N 1 0 246.314 0.718 20 30 BCEDRO Cc1nnc(NCC[N@H+](C)CCO)c(C#N)c1C ZINC000748814123 585196722 /nfs/dbraw/zinc/19/67/22/585196722.db2.gz ZZVDFBDAOXLCPY-UHFFFAOYSA-N 1 0 249.318 0.301 20 30 BCEDRO CNC(NCc1ccccc1CO)=[NH+]C ZINC000750544448 585217097 /nfs/dbraw/zinc/21/70/97/585217097.db2.gz COVWSFVHLAKOSI-UHFFFAOYSA-N 1 0 207.277 0.474 20 30 BCEDRO COC[C@@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000752086984 585242140 /nfs/dbraw/zinc/24/21/40/585242140.db2.gz BTOKSVHZNQLVIX-JTQLQIEISA-N 1 0 225.292 0.127 20 30 BCEDRO C[C@@H]1CC(=[NH+]n2cnnc2)CN1C1CC1 ZINC000753968344 585273841 /nfs/dbraw/zinc/27/38/41/585273841.db2.gz VLXFGMYPXOEXTN-MRVPVSSYSA-N 1 0 205.265 0.739 20 30 BCEDRO C#CC(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000753981611 585274280 /nfs/dbraw/zinc/27/42/80/585274280.db2.gz VUWSAGBKQBSFTH-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CC(=O)N(CCOC)CC[NH+](CC)CC ZINC000754021559 585275508 /nfs/dbraw/zinc/27/55/08/585275508.db2.gz HVCZTICHWRUIMB-UHFFFAOYSA-N 1 0 226.320 0.436 20 30 BCEDRO C#CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000754021425 585275640 /nfs/dbraw/zinc/27/56/40/585275640.db2.gz FOHQNPQPENAKDU-LLVKDONJSA-N 1 0 224.304 0.189 20 30 BCEDRO C#CC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000754063274 585277175 /nfs/dbraw/zinc/27/71/75/585277175.db2.gz CSLCNCYTSQWXCZ-JTQLQIEISA-N 1 0 212.318 0.173 20 30 BCEDRO C#CC(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000754090895 585277904 /nfs/dbraw/zinc/27/79/04/585277904.db2.gz CATANDCIZMEIBT-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO CC(C)N1CC(=[NH+]n2cnnc2)[C@@H](C)C1 ZINC000754256175 585281251 /nfs/dbraw/zinc/28/12/51/585281251.db2.gz URJJZUNGENFOJI-VIFPVBQESA-N 1 0 207.281 0.842 20 30 BCEDRO CC(CN1Cc2ccccc2C1=O)N=NC(N)=[NH2+] ZINC000754923687 585292509 /nfs/dbraw/zinc/29/25/09/585292509.db2.gz QASFVJGZSGQLGT-UHFFFAOYSA-N 1 0 245.286 0.501 20 30 BCEDRO C#CCCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000755211592 585296267 /nfs/dbraw/zinc/29/62/67/585296267.db2.gz KDRQUDFSWLZOKM-GFCCVEGCSA-N 1 0 208.305 0.416 20 30 BCEDRO NC(=[NH2+])NN=Cc1cnc([C@H]2CCCO2)s1 ZINC000755632299 585302742 /nfs/dbraw/zinc/30/27/42/585302742.db2.gz GDGUFBLQZUUTFX-SSDOTTSWSA-N 1 0 239.304 0.812 20 30 BCEDRO C#CCOCCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000755948081 585311122 /nfs/dbraw/zinc/31/11/22/585311122.db2.gz RZDLNDSFEKJYAX-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCOCCC(=O)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000756024278 585313251 /nfs/dbraw/zinc/31/32/51/585313251.db2.gz DKHCCNPQIBEKSA-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C1=COCC1 ZINC000756542417 585321069 /nfs/dbraw/zinc/32/10/69/585321069.db2.gz INRSNZRYHBMABO-GFCCVEGCSA-N 1 0 235.283 0.931 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)OC)[C@@H]1CCCO1 ZINC000839565256 585330234 /nfs/dbraw/zinc/33/02/34/585330234.db2.gz WCZJBRXIHLNZGV-UWVGGRQHSA-N 1 0 211.261 0.320 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCCNC1=O)[C@@H]1CCCO1 ZINC000839563300 585331404 /nfs/dbraw/zinc/33/14/04/585331404.db2.gz HAVRUUQUNJYMJX-AXFHLTTASA-N 1 0 222.288 0.035 20 30 BCEDRO C#CCC[N@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC000839630939 585333060 /nfs/dbraw/zinc/33/30/60/585333060.db2.gz SFUGPQBDSOQWKW-NSHDSACASA-N 1 0 224.304 0.046 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000839637710 585334836 /nfs/dbraw/zinc/33/48/36/585334836.db2.gz YBPXVSWJPLKKNO-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@](C)(OC)C1CC1 ZINC000839638345 585335011 /nfs/dbraw/zinc/33/50/11/585335011.db2.gz HTXDKICEHDPACU-GWCFXTLKSA-N 1 0 238.331 0.529 20 30 BCEDRO COc1cc(C(C)=NNC(N)=[NH2+])ccc1O ZINC000757450672 585337321 /nfs/dbraw/zinc/33/73/21/585337321.db2.gz IWPYMYCUORMLFK-UHFFFAOYSA-N 1 0 222.248 0.608 20 30 BCEDRO CCOC(=O)[C@@H]1CCC(N=NC(N)=[NH2+])C[C@H]1C ZINC000758097843 585348877 /nfs/dbraw/zinc/34/88/77/585348877.db2.gz HPXLZOLIXWASDB-VXNVDRBHSA-N 1 0 240.307 0.825 20 30 BCEDRO C#CCNC(=S)NCC[NH+]1CCC(C)CC1 ZINC000758188203 585351427 /nfs/dbraw/zinc/35/14/27/585351427.db2.gz ASTAJFHXADNHSN-UHFFFAOYSA-N 1 0 239.388 0.816 20 30 BCEDRO C#CCNC(=S)NC[C@H]1CCC[N@H+]1C ZINC000758209546 585351994 /nfs/dbraw/zinc/35/19/94/585351994.db2.gz LBGYSDZQUOMPSU-SECBINFHSA-N 1 0 211.334 0.178 20 30 BCEDRO COC[C@@H]1CCN(Cn2cccc(C#N)c2=O)C1 ZINC000758221014 585352123 /nfs/dbraw/zinc/35/21/23/585352123.db2.gz BMYRYAFTEQWZBB-LLVKDONJSA-N 1 0 247.298 0.646 20 30 BCEDRO CO[C@H]1CCCN(Cn2cccc(C#N)c2=O)C1 ZINC000758220729 585352163 /nfs/dbraw/zinc/35/21/63/585352163.db2.gz SBJWYTFQZIZTIG-LBPRGKRZSA-N 1 0 247.298 0.788 20 30 BCEDRO CN(Cn1cccc(C#N)c1=O)[C@@H]1CCOC1 ZINC000758222443 585352167 /nfs/dbraw/zinc/35/21/67/585352167.db2.gz DYTUBGIKLRZQHQ-LLVKDONJSA-N 1 0 233.271 0.398 20 30 BCEDRO C#CCNC(=S)NC1CC[NH+](CC=C)CC1 ZINC000758229464 585352382 /nfs/dbraw/zinc/35/23/82/585352382.db2.gz MLSCPBUWUIEJDJ-UHFFFAOYSA-N 1 0 237.372 0.734 20 30 BCEDRO C#CCOCCNC(=O)N(C)CCC[NH+](C)C ZINC000758664384 585358240 /nfs/dbraw/zinc/35/82/40/585358240.db2.gz XFSMIPZXXUJJJO-UHFFFAOYSA-N 1 0 241.335 0.229 20 30 BCEDRO CN(C)c1ccc(C=[NH+]NCC(N)=O)cc1 ZINC000758888061 585361248 /nfs/dbraw/zinc/36/12/48/585361248.db2.gz IQLBPYHVSNQFJI-UHFFFAOYSA-N 1 0 220.276 0.161 20 30 BCEDRO Cc1cc(C=NNC(N)=[NH2+])cnc1Cl ZINC000760214975 585386760 /nfs/dbraw/zinc/38/67/60/585386760.db2.gz FGHIPZBEPFSEJZ-UHFFFAOYSA-N 1 0 211.656 0.860 20 30 BCEDRO C#CCCCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000760314605 585389925 /nfs/dbraw/zinc/38/99/25/585389925.db2.gz QOELUNNMVSFCSH-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCCCC(=O)NCCOCC[NH+](C)C ZINC000760489302 585393165 /nfs/dbraw/zinc/39/31/65/585393165.db2.gz HDJNTBXNSCRQHJ-UHFFFAOYSA-N 1 0 226.320 0.484 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000760828873 585397360 /nfs/dbraw/zinc/39/73/60/585397360.db2.gz ZCDOGSMTFPHVQI-LLVKDONJSA-N 1 0 208.305 0.987 20 30 BCEDRO C#CCCN1CC[NH+](C[C@@H](O)CC)CC1 ZINC000760840928 585398722 /nfs/dbraw/zinc/39/87/22/585398722.db2.gz KCNPVNMGUJZNEW-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO C#CCCN1CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000760841314 585398880 /nfs/dbraw/zinc/39/88/80/585398880.db2.gz UMSDDLDYDXGRTO-CYBMUJFWSA-N 1 0 222.332 0.398 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@](C)(CC)CC(=O)OC ZINC000760904182 585401673 /nfs/dbraw/zinc/40/16/73/585401673.db2.gz XUMWKIPGWBUMLS-GFCCVEGCSA-N 1 0 240.303 0.057 20 30 BCEDRO C#CCC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000761030546 585403593 /nfs/dbraw/zinc/40/35/93/585403593.db2.gz XKMDPMNGJZIUHS-UHFFFAOYSA-N 1 0 230.333 0.010 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[N@H+](C)[C@H](C)C1 ZINC000761074538 585405281 /nfs/dbraw/zinc/40/52/81/585405281.db2.gz XGBJGWNFDQQURN-MNOVXSKESA-N 1 0 225.336 0.313 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H]2C[C@H]21 ZINC000761082022 585407004 /nfs/dbraw/zinc/40/70/04/585407004.db2.gz GMVOZYFKEFMSJM-OUAUKWLOSA-N 1 0 221.304 0.841 20 30 BCEDRO N#CCCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761089563 585408032 /nfs/dbraw/zinc/40/80/32/585408032.db2.gz JEFDBWATNGEVKY-NEPJUHHUSA-N 1 0 246.314 0.737 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761092049 585408376 /nfs/dbraw/zinc/40/83/76/585408376.db2.gz WJORBAHRJGLUME-MNOVXSKESA-N 1 0 221.304 0.843 20 30 BCEDRO C#CCOCC[N@@H+](C)CCN1CCCC1=O ZINC000761108435 585409684 /nfs/dbraw/zinc/40/96/84/585409684.db2.gz MTAZUTFLOGUDFM-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO C#CCOCC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000761115202 585410603 /nfs/dbraw/zinc/41/06/03/585410603.db2.gz PKULGWKPRBQWRE-LBPRGKRZSA-N 1 0 211.305 0.995 20 30 BCEDRO C[C@@H]1CC(N=Nc2cnccn2)C[N@@H+]1C ZINC000761806224 585419016 /nfs/dbraw/zinc/41/90/16/585419016.db2.gz USAKHRXEJKJSFW-MRVPVSSYSA-N 1 0 205.265 0.969 20 30 BCEDRO CC(Cn1ccccc1=O)=NNC1=[NH+][C@@H](C)CN1 ZINC000761834560 585419793 /nfs/dbraw/zinc/41/97/93/585419793.db2.gz SAHDZSGAUPXEFP-VIFPVBQESA-N 1 0 247.302 0.162 20 30 BCEDRO C#CC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000762642265 585434885 /nfs/dbraw/zinc/43/48/85/585434885.db2.gz LPVMOUZGGXLTOO-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000762642266 585434978 /nfs/dbraw/zinc/43/49/78/585434978.db2.gz LPVMOUZGGXLTOO-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[NH2+][C@@H](CO)C1CC1 ZINC000763064959 585442630 /nfs/dbraw/zinc/44/26/30/585442630.db2.gz FPSZZBXKMVFISL-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000839796241 585451408 /nfs/dbraw/zinc/45/14/08/585451408.db2.gz CGHBPCNCGWHVMI-IJLUTSLNSA-N 1 0 236.315 0.187 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCCOC ZINC000763898703 585456464 /nfs/dbraw/zinc/45/64/64/585456464.db2.gz HPTLGSIYRPSHQZ-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CCOC)CCOC ZINC000763899769 585456591 /nfs/dbraw/zinc/45/65/91/585456591.db2.gz SWMGSDKNMFEDNY-UHFFFAOYSA-N 1 0 244.335 0.226 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC(=O)CC1 ZINC000764122161 585460442 /nfs/dbraw/zinc/46/04/42/585460442.db2.gz WVRJIYMKOKLUFB-UHFFFAOYSA-N 1 0 210.277 0.296 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C)OC[C@@H]1C ZINC000764190694 585461026 /nfs/dbraw/zinc/46/10/26/585461026.db2.gz ZXZBOBSCGHJYAK-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC([C@H](C)O)CC1 ZINC000764542484 585467512 /nfs/dbraw/zinc/46/75/12/585467512.db2.gz WNFAHAIYZFJWQI-NSHDSACASA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CCCO ZINC000764611946 585468750 /nfs/dbraw/zinc/46/87/50/585468750.db2.gz YHPADXLXKWXIMR-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1CCOC1 ZINC000764613536 585468901 /nfs/dbraw/zinc/46/89/01/585468901.db2.gz PINIJVJPEFURQT-NSHDSACASA-N 1 0 226.320 0.599 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C[C@H](C)O ZINC000764626091 585469308 /nfs/dbraw/zinc/46/93/08/585469308.db2.gz MHMDQEWBQXTRFG-RYUDHWBXSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1(C)CCOCC1 ZINC000764628693 585469346 /nfs/dbraw/zinc/46/93/46/585469346.db2.gz WUAVHGIAKJXFMO-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1C(C)(C)O ZINC000764629420 585469504 /nfs/dbraw/zinc/46/95/04/585469504.db2.gz AUDZUIPEGIKXMF-LLVKDONJSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)[C@H](C)CC ZINC000764633076 585469740 /nfs/dbraw/zinc/46/97/40/585469740.db2.gz XISNRZRKJOXPEN-KOLCDFICSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)c1nc[nH]n1 ZINC000764651890 585470171 /nfs/dbraw/zinc/47/01/71/585470171.db2.gz XNKJRZFOWZATKU-MRVPVSSYSA-N 1 0 223.280 0.100 20 30 BCEDRO C[C@H]1CN(C2CC2)CC1=NNS(C)(=O)=O ZINC000764699352 585471306 /nfs/dbraw/zinc/47/13/06/585471306.db2.gz FJUBLMALTSTZJT-ZETCQYMHSA-N 1 0 231.321 0.006 20 30 BCEDRO C[C@H]1CC(NC(=O)CCCC[NH+](C)C)=NO1 ZINC000765372736 585484441 /nfs/dbraw/zinc/48/44/41/585484441.db2.gz NVDOKPHDLOPHLK-VIFPVBQESA-N 1 0 227.308 0.957 20 30 BCEDRO CC(C)[C@H](C(=O)NC1=NO[C@H](C)C1)[NH+](C)C ZINC000765375870 585484542 /nfs/dbraw/zinc/48/45/42/585484542.db2.gz LCBDGDSDJVITDL-PSASIEDQSA-N 1 0 227.308 0.811 20 30 BCEDRO C#CCNC(=S)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000765509190 585488825 /nfs/dbraw/zinc/48/88/25/585488825.db2.gz BZLHDOMDCPDKFE-WDEREUQCSA-N 1 0 239.388 0.909 20 30 BCEDRO C1C[C@@H]2C(=NN3CCOCC3)CC[N@H+]2C1 ZINC000765549252 585489773 /nfs/dbraw/zinc/48/97/73/585489773.db2.gz SXBATIMXALJAGO-LLVKDONJSA-N 1 0 209.293 0.543 20 30 BCEDRO C#CC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000765804286 585492909 /nfs/dbraw/zinc/49/29/09/585492909.db2.gz VMZBWDRFYGYYBX-LLVKDONJSA-N 1 0 206.289 0.753 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccnn1C ZINC000766029119 585496609 /nfs/dbraw/zinc/49/66/09/585496609.db2.gz IUVZAWNKPYBJDQ-SSDOTTSWSA-N 1 0 220.280 0.081 20 30 BCEDRO COC(=O)c1coc(C(C)=NNC(N)=[NH2+])c1 ZINC000766434971 585502548 /nfs/dbraw/zinc/50/25/48/585502548.db2.gz UVLBYMCUBUXKRZ-UHFFFAOYSA-N 1 0 224.220 0.273 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000766894871 585509052 /nfs/dbraw/zinc/50/90/52/585509052.db2.gz FTHFHPHQCUWDBM-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCCCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000766896581 585509813 /nfs/dbraw/zinc/50/98/13/585509813.db2.gz UBHSLSPITPTLAN-UONOGXRCSA-N 1 0 236.359 0.931 20 30 BCEDRO C#CCCC[N@@H+]1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000766907297 585511124 /nfs/dbraw/zinc/51/11/24/585511124.db2.gz ZDWBIFFKZMGECP-LLVKDONJSA-N 1 0 249.314 0.368 20 30 BCEDRO C#CCCC[N@@H+]1CCN2C(=O)N(CC)C(=O)[C@@H]2C1 ZINC000766907298 585511178 /nfs/dbraw/zinc/51/11/78/585511178.db2.gz ZDWBIFFKZMGECP-NSHDSACASA-N 1 0 249.314 0.368 20 30 BCEDRO C#CCCC[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000766927457 585511714 /nfs/dbraw/zinc/51/17/14/585511714.db2.gz PTKAYBXPHXSZNJ-GFCCVEGCSA-N 1 0 239.315 0.646 20 30 BCEDRO C#CCCC[NH+]1CCN(CCCCO)CC1 ZINC000766920980 585511720 /nfs/dbraw/zinc/51/17/20/585511720.db2.gz SGCYNRAGHYHIDH-UHFFFAOYSA-N 1 0 224.348 0.790 20 30 BCEDRO C#CCCC[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000767032496 585512781 /nfs/dbraw/zinc/51/27/81/585512781.db2.gz XYBRVGMODHICIH-NEPJUHHUSA-N 1 0 211.305 0.872 20 30 BCEDRO C[NH+](C)Cc1ccc(C(N)=NOCCO)cc1 ZINC000768161400 585533107 /nfs/dbraw/zinc/53/31/07/585533107.db2.gz KYPGEOQUVSBWHP-UHFFFAOYSA-N 1 0 237.303 0.377 20 30 BCEDRO C[C@H]1CC(=NN2CC(=O)N(C)C2=O)CC[N@@H+]1C ZINC000768381295 585537449 /nfs/dbraw/zinc/53/74/49/585537449.db2.gz YLGLIIUYZLQZKP-QMMMGPOBSA-N 1 0 238.291 0.351 20 30 BCEDRO C#CCC(C)(C)C(=O)NCCOCC[NH+](C)C ZINC000768387577 585537682 /nfs/dbraw/zinc/53/76/82/585537682.db2.gz NFRVFXOWEJTQJT-UHFFFAOYSA-N 1 0 240.347 0.730 20 30 BCEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1CC(=O)NCCC#N ZINC000768765874 585542907 /nfs/dbraw/zinc/54/29/07/585542907.db2.gz VNXHLHZFULTWOG-QWRGUYRKSA-N 1 0 238.335 0.041 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CCOCC)[C@H]1CCCO1 ZINC000769790115 585563220 /nfs/dbraw/zinc/56/32/20/585563220.db2.gz URVHOISIQXCYCJ-FRRDWIJNSA-N 1 0 241.331 0.544 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCCCS(C)(=O)=O ZINC000769962232 585567456 /nfs/dbraw/zinc/56/74/56/585567456.db2.gz CXVSKBZVSWIINC-JTQLQIEISA-N 1 0 217.334 0.765 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCn1ccccc1=O ZINC000769962206 585567459 /nfs/dbraw/zinc/56/74/59/585567459.db2.gz CDOHIZVUVBRLEX-LLVKDONJSA-N 1 0 204.273 0.802 20 30 BCEDRO C#CCCNC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000770015087 585569355 /nfs/dbraw/zinc/56/93/55/585569355.db2.gz HMGXMIZPZUBCBK-MNOVXSKESA-N 1 0 239.319 0.028 20 30 BCEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1CC(=O)NCCC#N ZINC000771463834 585594431 /nfs/dbraw/zinc/59/44/31/585594431.db2.gz ZRPZJBJXUJAMEJ-QWRGUYRKSA-N 1 0 238.335 0.041 20 30 BCEDRO CC(=[NH+]OCC(N)=O)c1ccccc1N(C)C ZINC000771579440 585597327 /nfs/dbraw/zinc/59/73/27/585597327.db2.gz XTVJXESUEVTOJG-UHFFFAOYSA-N 1 0 235.287 0.979 20 30 BCEDRO C#CCOCCC(=O)OCC[NH+](CC)CC ZINC000772217517 585610242 /nfs/dbraw/zinc/61/02/42/585610242.db2.gz JMCUOLYGUTXREV-UHFFFAOYSA-N 1 0 227.304 0.911 20 30 BCEDRO C=CCCOC(=O)[C@H]1CN(CC)CCO1 ZINC000805471412 585623883 /nfs/dbraw/zinc/62/38/83/585623883.db2.gz IXNARYSFCROGNA-SNVBAGLBSA-N 1 0 213.277 0.826 20 30 BCEDRO C#CC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000772848495 585624908 /nfs/dbraw/zinc/62/49/08/585624908.db2.gz VDIKDXSRVVCFKB-RKDXNWHRSA-N 1 0 212.318 0.124 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000772972364 585628617 /nfs/dbraw/zinc/62/86/17/585628617.db2.gz GKQMMOBSRBGAQI-WDEREUQCSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCCC[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000773482243 585637851 /nfs/dbraw/zinc/63/78/51/585637851.db2.gz KHKLRMDIDNXHQG-CYBMUJFWSA-N 1 0 222.332 0.806 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000773590701 585640903 /nfs/dbraw/zinc/64/09/03/585640903.db2.gz JZXJGUZBQFTXRC-NXEZZACHSA-N 1 0 221.304 0.544 20 30 BCEDRO CON=CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000773729639 585642921 /nfs/dbraw/zinc/64/29/21/585642921.db2.gz YCQRFJMJQITHMJ-UHFFFAOYSA-N 1 0 227.308 0.608 20 30 BCEDRO CON=CC(=O)NCC[NH+]1CCCCC1 ZINC000773807611 585644334 /nfs/dbraw/zinc/64/43/34/585644334.db2.gz JBAANZVXLKHYAM-UHFFFAOYSA-N 1 0 213.281 0.221 20 30 BCEDRO CON=CC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000773831450 585644478 /nfs/dbraw/zinc/64/44/78/585644478.db2.gz URGDUEZQYJEXPS-JTQLQIEISA-N 1 0 227.308 0.467 20 30 BCEDRO CON=CC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000773881227 585645549 /nfs/dbraw/zinc/64/55/49/585645549.db2.gz VHVSVPPGMZEDBM-JTQLQIEISA-N 1 0 229.324 0.711 20 30 BCEDRO CON=CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000773905224 585646300 /nfs/dbraw/zinc/64/63/00/585646300.db2.gz BQVFJRZGXLLTOC-SNVBAGLBSA-N 1 0 225.292 0.315 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](C)[C@@H]1C ZINC000774065570 585649332 /nfs/dbraw/zinc/64/93/32/585649332.db2.gz PDOFLDBADBIMOC-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NN1CCCCC1 ZINC000774082062 585649997 /nfs/dbraw/zinc/64/99/97/585649997.db2.gz NDVQMLLKLMZRFA-UHFFFAOYSA-N 1 0 211.309 0.621 20 30 BCEDRO C#CCOCCOC(=O)[C@H]1CCCCN1C ZINC000774193340 585653357 /nfs/dbraw/zinc/65/33/57/585653357.db2.gz ZQFBXPJSZOLQOT-LLVKDONJSA-N 1 0 225.288 0.664 20 30 BCEDRO C[C@H]1CC(=NN=c2cc[nH]n2C)CC[N@@H+]1C ZINC000774413538 585657797 /nfs/dbraw/zinc/65/77/97/585657797.db2.gz TWBICHVEIMUNMZ-VIFPVBQESA-N 1 0 221.308 0.724 20 30 BCEDRO CON=CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000774434369 585658896 /nfs/dbraw/zinc/65/88/96/585658896.db2.gz MMIGVXXEHVKEDM-PSASIEDQSA-N 1 0 225.292 0.218 20 30 BCEDRO CON=CC(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000774440300 585659132 /nfs/dbraw/zinc/65/91/32/585659132.db2.gz VDMQABYIJXYOTO-ZJUUUORDSA-N 1 0 227.308 0.560 20 30 BCEDRO CON(C)C(=O)CN(CCC#N)CC(C)C ZINC000774621648 585662427 /nfs/dbraw/zinc/66/24/27/585662427.db2.gz AVEPWHIEPJQBDL-UHFFFAOYSA-N 1 0 227.308 0.878 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)c1cccc(C#N)c1 ZINC000775335166 585675837 /nfs/dbraw/zinc/67/58/37/585675837.db2.gz FNNWVMIEIPSZFE-LLVKDONJSA-N 1 0 241.294 0.958 20 30 BCEDRO C#C[C@@H](C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000775385566 585677140 /nfs/dbraw/zinc/67/71/40/585677140.db2.gz IUNYXWJZXZASDZ-MXWKQRLJSA-N 1 0 208.305 0.997 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)[C@H]1CCCO1 ZINC000775789139 585684748 /nfs/dbraw/zinc/68/47/48/585684748.db2.gz AXNGHXATUKNYOZ-FRRDWIJNSA-N 1 0 249.314 0.014 20 30 BCEDRO C#C[C@H]([NH2+]CCc1cnn(C)c1)[C@H]1CCCO1 ZINC000775797824 585685043 /nfs/dbraw/zinc/68/50/43/585685043.db2.gz DZTDJJUUFDVCIZ-QWHCGFSZSA-N 1 0 233.315 0.733 20 30 BCEDRO C#C[C@H]([NH2+]C/C=C(\C)C(=O)OC)[C@@H]1CCCO1 ZINC000775797842 585685371 /nfs/dbraw/zinc/68/53/71/585685371.db2.gz GCYKJLPHDOBDGK-SKWDFFSCSA-N 1 0 237.299 0.876 20 30 BCEDRO C#C[C@H]([NH2+]CCN1CCCC1=O)[C@@H]1CCCO1 ZINC000775801045 585685663 /nfs/dbraw/zinc/68/56/63/585685663.db2.gz VYBSSNULSNDBMN-RYUDHWBXSA-N 1 0 236.315 0.379 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(=O)N(C)CC)[C@H]1CCCO1 ZINC000775801147 585685687 /nfs/dbraw/zinc/68/56/87/585685687.db2.gz WNPJHDOBFRJDKZ-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO CN(C)c1cc[nH+]cc1C=NNS(C)(=O)=O ZINC000776187851 585692350 /nfs/dbraw/zinc/69/23/50/585692350.db2.gz NUXKUPMTAKUQQK-UHFFFAOYSA-N 1 0 242.304 0.031 20 30 BCEDRO C#CCNC(=S)NCC1=CC[N@H+](C)CC1 ZINC000776197683 585692604 /nfs/dbraw/zinc/69/26/04/585692604.db2.gz FVNOHTHSNLLBMJ-UHFFFAOYSA-N 1 0 223.345 0.346 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H](CO)C2CC2)CC1 ZINC000859250482 589024697 /nfs/dbraw/zinc/02/46/97/589024697.db2.gz KNZNKMGVTGIEFB-WDEREUQCSA-N 1 0 224.304 0.402 20 30 BCEDRO CC(CCn1cccn1)=[NH+]n1cnnc1 ZINC000776757549 585704466 /nfs/dbraw/zinc/70/44/66/585704466.db2.gz UVGVHALHUBIOBX-UHFFFAOYSA-N 1 0 204.237 0.789 20 30 BCEDRO C[NH+](C)CCNS(=O)(=O)CC(C)(C)C#N ZINC000777816550 585720619 /nfs/dbraw/zinc/72/06/19/585720619.db2.gz YLZQGITUTLXMKD-UHFFFAOYSA-N 1 0 233.337 0.017 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@](CC)(CO)C1 ZINC000778328774 585731612 /nfs/dbraw/zinc/73/16/12/585731612.db2.gz OPMPGSMBZQFTQK-ZDUSSCGKSA-N 1 0 238.331 0.220 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1cn(C)nn1)[C@@H]1CCCO1 ZINC000859258871 589024934 /nfs/dbraw/zinc/02/49/34/589024934.db2.gz VPRVVIBQZSPGLE-NEPJUHHUSA-N 1 0 234.303 0.128 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000778426111 585734374 /nfs/dbraw/zinc/73/43/74/585734374.db2.gz CBTVSJNIGRKZTF-DGCLKSJQSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@H](C)C1 ZINC000778426109 585734421 /nfs/dbraw/zinc/73/44/21/585734421.db2.gz CBTVSJNIGRKZTF-AAEUAGOBSA-N 1 0 238.331 0.219 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](CC)CO)CC1 ZINC000779770797 585761813 /nfs/dbraw/zinc/76/18/13/585761813.db2.gz ZIVLTPGATDMNQO-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO CCc1cccnc1C(C)=NNC(N)=[NH2+] ZINC000779768897 585761843 /nfs/dbraw/zinc/76/18/43/585761843.db2.gz OWFBSQPRGOWJPE-UHFFFAOYSA-N 1 0 205.265 0.851 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cncs1 ZINC000779793419 585763621 /nfs/dbraw/zinc/76/36/21/585763621.db2.gz TVKXVBFUFJVJQK-LURJTMIESA-N 1 0 223.305 0.804 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc(O)cn2)N1 ZINC000779791429 585763633 /nfs/dbraw/zinc/76/36/33/585763633.db2.gz COCXHPJOXUXKTF-SSDOTTSWSA-N 1 0 219.248 0.058 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc(O)c(O)c2)N1 ZINC000779792370 585763681 /nfs/dbraw/zinc/76/36/81/585763681.db2.gz MLGKBAJGHWLBTR-ZETCQYMHSA-N 1 0 234.259 0.369 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccncc1 ZINC000779791127 585763731 /nfs/dbraw/zinc/76/37/31/585763731.db2.gz FNUQZJZTIQSABX-QMMMGPOBSA-N 1 0 217.276 0.743 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc(O)cc2)N1 ZINC000779791394 585763815 /nfs/dbraw/zinc/76/38/15/585763815.db2.gz IPIHNCGXWGVXDF-MRVPVSSYSA-N 1 0 218.260 0.663 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@H]1CCOC1 ZINC000779795018 585763831 /nfs/dbraw/zinc/76/38/31/585763831.db2.gz OREQFOCPURGJKL-CBAPKCEASA-N 1 0 210.281 0.336 20 30 BCEDRO CC[C@H]1CC(=NNC2=[NH+][C@H](C)CN2)CCO1 ZINC000779791462 585763891 /nfs/dbraw/zinc/76/38/91/585763891.db2.gz CXFAXRKXHGJLGS-SCZZXKLOSA-N 1 0 224.308 0.869 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCCOCC2)=[NH+]1 ZINC000779793903 585764119 /nfs/dbraw/zinc/76/41/19/585764119.db2.gz BRTMJDGLIAVFAQ-MRVPVSSYSA-N 1 0 210.281 0.480 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@@H]1CCOC1 ZINC000779795019 585764134 /nfs/dbraw/zinc/76/41/34/585764134.db2.gz OREQFOCPURGJKL-IONNQARKSA-N 1 0 210.281 0.336 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cccn2C)N1 ZINC000779795024 585764406 /nfs/dbraw/zinc/76/44/06/585764406.db2.gz OXRRXKJOMZNJPV-MRVPVSSYSA-N 1 0 205.265 0.296 20 30 BCEDRO CCc1nc(C=NNC2=[NH+]C[C@H](C)N2)cs1 ZINC000779794228 585764438 /nfs/dbraw/zinc/76/44/38/585764438.db2.gz FHXPFBPLISJMCT-ZETCQYMHSA-N 1 0 237.332 0.977 20 30 BCEDRO CCc1nc(C=NNC2=[NH+]C[C@@H](C)N2)cs1 ZINC000779794227 585764506 /nfs/dbraw/zinc/76/45/06/585764506.db2.gz FHXPFBPLISJMCT-SSDOTTSWSA-N 1 0 237.332 0.977 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cncs2)N1 ZINC000779799505 585764564 /nfs/dbraw/zinc/76/45/64/585764564.db2.gz UBKRCIBJWKKYOS-LURJTMIESA-N 1 0 209.278 0.414 20 30 BCEDRO C[C@@H]1CNC(NN=C2C[C@H](C)N(C3CC3)C2)=[NH+]1 ZINC000779799559 585764774 /nfs/dbraw/zinc/76/47/74/585764774.db2.gz VKOBZGRGHZDPDO-BDAKNGLRSA-N 1 0 235.335 0.536 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cccc(C#N)c2)N1 ZINC000779800763 585764782 /nfs/dbraw/zinc/76/47/82/585764782.db2.gz PVYUBJWRIRXPBW-SECBINFHSA-N 1 0 227.271 0.829 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cnn(C)c1C ZINC000779800756 585764802 /nfs/dbraw/zinc/76/48/02/585764802.db2.gz PQRDRUXIJJOHJI-ZETCQYMHSA-N 1 0 234.307 0.390 20 30 BCEDRO c1cc(N=NC2C[NH+]3CCC2CC3)ccn1 ZINC000779809467 585765596 /nfs/dbraw/zinc/76/55/96/585765596.db2.gz JRLGHDXYPFTHHT-UHFFFAOYSA-N 1 0 216.288 0.997 20 30 BCEDRO C[C@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000780555519 585780938 /nfs/dbraw/zinc/78/09/38/585780938.db2.gz HUFWFFVXUTUGSA-GWCFXTLKSA-N 1 0 230.315 0.993 20 30 BCEDRO C[C@@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000780555553 585781021 /nfs/dbraw/zinc/78/10/21/585781021.db2.gz HUFWFFVXUTUGSA-ZWNOBZJWSA-N 1 0 230.315 0.993 20 30 BCEDRO CC[C@@H](C(=O)NCc1ccc(C#N)cn1)[NH+](C)C ZINC000782028965 585807034 /nfs/dbraw/zinc/80/70/34/585807034.db2.gz MPSZKPSHJCVAEL-LBPRGKRZSA-N 1 0 246.314 0.910 20 30 BCEDRO NC(=[NH2+])NN=Cc1scnc1C1CC1 ZINC000782188890 585811309 /nfs/dbraw/zinc/81/13/09/585811309.db2.gz ZNZUYGJGKMVTOL-UHFFFAOYSA-N 1 0 209.278 0.837 20 30 BCEDRO C=CCNC(=S)NCC[N@@H+]1CCCOCC1 ZINC000782210737 585812133 /nfs/dbraw/zinc/81/21/33/585812133.db2.gz RSVKUHMEQMZSCW-UHFFFAOYSA-N 1 0 243.376 0.359 20 30 BCEDRO COc1cc(C(C)=NNC2=[NH+]C[C@H](C)N2)ccn1 ZINC000782267501 585813546 /nfs/dbraw/zinc/81/35/46/585813546.db2.gz JQRMTONZXNAYJO-QMMMGPOBSA-N 1 0 247.302 0.752 20 30 BCEDRO Cc1ccnc(N2CCC([NH3+])(CO)CC2)c1C#N ZINC000784154130 585851956 /nfs/dbraw/zinc/85/19/56/585851956.db2.gz PYMKTSNFETVDKC-UHFFFAOYSA-N 1 0 246.314 0.552 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C)C[C@@H]1[C@H](C)O ZINC000785546046 585875431 /nfs/dbraw/zinc/87/54/31/585875431.db2.gz KXQPQDGMRVKUCN-SDDRHHMPSA-N 1 0 238.331 0.217 20 30 BCEDRO C=CCC[N@@H+](C)CN1C[C@@H](OC)CC1=O ZINC000787235084 585903646 /nfs/dbraw/zinc/90/36/46/585903646.db2.gz LYWHGTVVEZECSQ-JTQLQIEISA-N 1 0 212.293 0.699 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](C(=O)OC)[C@@H]1C ZINC000787324286 585906914 /nfs/dbraw/zinc/90/69/14/585906914.db2.gz IHFMXWQVYLUYGU-QWRGUYRKSA-N 1 0 225.288 0.520 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CC[C@](F)(C#N)C2)CCC1 ZINC000787377939 585908243 /nfs/dbraw/zinc/90/82/43/585908243.db2.gz PEIKCMFVNFVIOD-NSHDSACASA-N 1 0 239.294 0.935 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)NCCC#N ZINC000787371454 585908251 /nfs/dbraw/zinc/90/82/51/585908251.db2.gz GJFZWVQEXDGSEX-UHFFFAOYSA-N 1 0 212.297 0.493 20 30 BCEDRO N#CCCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000787630125 585913419 /nfs/dbraw/zinc/91/34/19/585913419.db2.gz VGBTZMYTGVSYSS-LLVKDONJSA-N 1 0 221.304 0.891 20 30 BCEDRO CN(C)c1ccncc1C=[NH+]N[C@@H]1CCOC1 ZINC000788452576 585924569 /nfs/dbraw/zinc/92/45/69/585924569.db2.gz PJAJMIPXJAXPOQ-LLVKDONJSA-N 1 0 234.303 0.860 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=C2CCCc3c[nH]nc32)N1 ZINC000789037063 585934018 /nfs/dbraw/zinc/93/40/18/585934018.db2.gz MDTGMRUBEQUAHW-ZETCQYMHSA-N 1 0 232.291 0.387 20 30 BCEDRO Cn1cncc1C=NNCCc1ccncc1 ZINC000789093280 585935010 /nfs/dbraw/zinc/93/50/10/585935010.db2.gz IQMDPJNHUNHYSO-UHFFFAOYSA-N 1 0 229.287 0.981 20 30 BCEDRO CC(C)N(C)c1ccc(C=[NH+]NCC(N)=O)cn1 ZINC000790176677 585959452 /nfs/dbraw/zinc/95/94/52/585959452.db2.gz TVUFFGOGBOXOEB-UHFFFAOYSA-N 1 0 249.318 0.335 20 30 BCEDRO CC(C)N1c2ccccc2C(=NNC(N)=[NH2+])C1=O ZINC000790271916 585962241 /nfs/dbraw/zinc/96/22/41/585962241.db2.gz CETWKUPOKJFDDF-UHFFFAOYSA-N 1 0 245.286 0.629 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc[nH]c(=O)c1 ZINC000790297336 585962401 /nfs/dbraw/zinc/96/24/01/585962401.db2.gz JIDVXQNSLKLHQZ-ZETCQYMHSA-N 1 0 233.275 0.449 20 30 BCEDRO C#CC(=O)NC[C@@H]1[N@H+](C)CCCC1(C)C ZINC000791146636 585974538 /nfs/dbraw/zinc/97/45/38/585974538.db2.gz LORYAQWHAHSZHF-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCn1cc(CNC(=O)C[N@@H+](C)C(C)C)cn1 ZINC000791261909 585975680 /nfs/dbraw/zinc/97/56/80/585975680.db2.gz FENIIBDSKYAVSA-UHFFFAOYSA-N 1 0 248.330 0.473 20 30 BCEDRO C=C(CO)C(=O)NCCC[NH+]1CCCCCC1 ZINC000791302333 585976459 /nfs/dbraw/zinc/97/64/59/585976459.db2.gz XGGYZTSBHVSFKE-UHFFFAOYSA-N 1 0 240.347 0.917 20 30 BCEDRO C=C(CO)C(=O)NCC[NH+]1CCCCC1 ZINC000791326569 585977493 /nfs/dbraw/zinc/97/74/93/585977493.db2.gz DXQPYMQGRSAUDH-UHFFFAOYSA-N 1 0 212.293 0.137 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000791368999 585979374 /nfs/dbraw/zinc/97/93/74/585979374.db2.gz FXKJSSBYJISQAE-PWSUYJOCSA-N 1 0 240.347 0.724 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](O)CC(=O)OCC ZINC000859281613 589026995 /nfs/dbraw/zinc/02/69/95/589026995.db2.gz UAMPMKGVAAQSDV-UWVGGRQHSA-N 1 0 213.277 0.254 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC)C(=O)OC ZINC000791383961 585979718 /nfs/dbraw/zinc/97/97/18/585979718.db2.gz GDINSKIXXYYZBR-VIFPVBQESA-N 1 0 228.292 0.172 20 30 BCEDRO C[NH+](C)CCCOC(=O)C1(C#N)CCOCC1 ZINC000792018489 585993760 /nfs/dbraw/zinc/99/37/60/585993760.db2.gz CJENZJBJNCNUEP-UHFFFAOYSA-N 1 0 240.303 0.802 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000792939198 586007506 /nfs/dbraw/zinc/00/75/06/586007506.db2.gz GDZCVDMODGABLM-CYBMUJFWSA-N 1 0 236.315 0.238 20 30 BCEDRO C[C@@H]([NH2+]Cc1cnc2ccc(C#N)cn12)C(N)=O ZINC000793590924 586023819 /nfs/dbraw/zinc/02/38/19/586023819.db2.gz PMWWNJKSXOWVOG-MRVPVSSYSA-N 1 0 243.270 0.169 20 30 BCEDRO CO[C@H]1CCCC(=NNC2=[NH+][C@@H](C)CN2)C1 ZINC000794530388 586041692 /nfs/dbraw/zinc/04/16/92/586041692.db2.gz LLLPOFPMYMUXNP-WPRPVWTQSA-N 1 0 224.308 0.869 20 30 BCEDRO N#CCCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000794575617 586044743 /nfs/dbraw/zinc/04/47/43/586044743.db2.gz DDRJGISTDFPSGZ-GHMZBOCLSA-N 1 0 239.319 0.157 20 30 BCEDRO N#CCCNC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000794575620 586044780 /nfs/dbraw/zinc/04/47/80/586044780.db2.gz DDRJGISTDFPSGZ-WDEREUQCSA-N 1 0 239.319 0.157 20 30 BCEDRO C#CC(C)(C)[N@H+](C)CCN1CCOC1=O ZINC000794578692 586045208 /nfs/dbraw/zinc/04/52/08/586045208.db2.gz HXHABQQJHPWLAW-UHFFFAOYSA-N 1 0 210.277 0.782 20 30 BCEDRO C#CC(=O)Nc1cccc(C[N@H+]2CC[C@@H](O)C2)c1 ZINC000794588737 586045470 /nfs/dbraw/zinc/04/54/70/586045470.db2.gz WVBFWCLPWRYQGF-CYBMUJFWSA-N 1 0 244.294 0.825 20 30 BCEDRO COC(=O)[C@@H]1CCCC(=[NH+]n2cnnc2)C1 ZINC000794857576 586050923 /nfs/dbraw/zinc/05/09/23/586050923.db2.gz VVWYGWUNVCOUJH-MRVPVSSYSA-N 1 0 222.248 0.845 20 30 BCEDRO COC(=O)[C@H]1[C@@H]2C[N@@H+](CCCC#N)C[C@@H]21 ZINC000794965015 586058649 /nfs/dbraw/zinc/05/86/49/586058649.db2.gz VFITUXRAMRTSLK-MYJAWHEDSA-N 1 0 208.261 0.641 20 30 BCEDRO C#CCNC(=S)NC[C@@H]1CCC[N@H+]1CCC ZINC000795156331 586069958 /nfs/dbraw/zinc/06/99/58/586069958.db2.gz IQFRJGZXYSQSGL-NSHDSACASA-N 1 0 239.388 0.958 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)C1(CO)CCC1 ZINC000795201875 586071588 /nfs/dbraw/zinc/07/15/88/586071588.db2.gz QCDNLLFQSHQOMB-JTQLQIEISA-N 1 0 212.293 0.762 20 30 BCEDRO C[C@@H](C[C@@H]1CCOC1)[NH2+]CCn1cnc(C#N)n1 ZINC000797089655 586119861 /nfs/dbraw/zinc/11/98/61/586119861.db2.gz YULDNFPBHMRVCF-QWRGUYRKSA-N 1 0 249.318 0.554 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000843076368 586136445 /nfs/dbraw/zinc/13/64/45/586136445.db2.gz HGMQGYAZAPIMOA-JQWIXIFHSA-N 1 0 240.278 0.781 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CC(C)=O ZINC000798301070 586142672 /nfs/dbraw/zinc/14/26/72/586142672.db2.gz NILHKWXJQOQPIG-VIFPVBQESA-N 1 0 212.293 0.588 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)C[N@@H+](CC)C1CC1 ZINC000799071702 586155666 /nfs/dbraw/zinc/15/56/66/586155666.db2.gz PTRWSAGWLNBSGF-LBPRGKRZSA-N 1 0 238.331 0.361 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H]3C[C@H]32)C1=O ZINC000799148055 586162137 /nfs/dbraw/zinc/16/21/37/586162137.db2.gz RKUCSZKUSQQREO-GARJFASQSA-N 1 0 206.289 0.868 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCN(CC=C)C1=O)[C@H]1CCCO1 ZINC000799167419 586162978 /nfs/dbraw/zinc/16/29/78/586162978.db2.gz XVYXCPICBJIIMR-RWMBFGLXSA-N 1 0 248.326 0.544 20 30 BCEDRO N#CCC1CC[NH+]([C@@H]2CCC(=O)NC2=O)CC1 ZINC000799163341 586163377 /nfs/dbraw/zinc/16/33/77/586163377.db2.gz IXAXULKANQPNJA-SNVBAGLBSA-N 1 0 235.287 0.417 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CCO)C2CC2)C1=O ZINC000799166142 586163925 /nfs/dbraw/zinc/16/39/25/586163925.db2.gz ZNIMGJJRDLJWMZ-NWDGAFQWSA-N 1 0 238.331 0.524 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]CCC(=O)Nc1cccnc1 ZINC000843078011 586174254 /nfs/dbraw/zinc/17/42/54/586174254.db2.gz RPCAPXKFWUDVKI-LBPRGKRZSA-N 1 0 247.298 0.384 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)CC2(O)CCC2)C1 ZINC000859337035 589032270 /nfs/dbraw/zinc/03/22/70/589032270.db2.gz VSIOAIKZRHVJIL-CHWSQXEVSA-N 1 0 237.343 0.998 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)CC2(O)CCC2)C1 ZINC000859337037 589032582 /nfs/dbraw/zinc/03/25/82/589032582.db2.gz VSIOAIKZRHVJIL-QWHCGFSZSA-N 1 0 237.343 0.998 20 30 BCEDRO Cn1cc([C@H](O)C[NH2+][C@H]2CC[C@H](C#N)C2)cn1 ZINC000799718665 586193583 /nfs/dbraw/zinc/19/35/83/586193583.db2.gz JABHCXCCDAZTTH-ZMLRMANQSA-N 1 0 234.303 0.735 20 30 BCEDRO Cn1cc([C@H](O)C[NH2+][C@H]2CC[C@@H](C#N)C2)cn1 ZINC000799718662 586194197 /nfs/dbraw/zinc/19/41/97/586194197.db2.gz JABHCXCCDAZTTH-ADEWGFFLSA-N 1 0 234.303 0.735 20 30 BCEDRO C#CCCN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000800374258 586213315 /nfs/dbraw/zinc/21/33/15/586213315.db2.gz MGVFGTWHLOQFMC-VXGBXAGGSA-N 1 0 210.321 0.397 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](S(C)(=O)=O)CC1 ZINC000800456675 586219079 /nfs/dbraw/zinc/21/90/79/586219079.db2.gz BYZYCIPBFLIJFN-NSHDSACASA-N 1 0 229.345 0.909 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](S(C)(=O)=O)CC1 ZINC000800456673 586220986 /nfs/dbraw/zinc/22/09/86/586220986.db2.gz BYZYCIPBFLIJFN-LLVKDONJSA-N 1 0 229.345 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0.875 20 30 BCEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NO)C1 ZINC000810043660 586531978 /nfs/dbraw/zinc/53/19/78/586531978.db2.gz AWXRTDJOBVPGTA-VIFPVBQESA-N 1 0 204.245 0.704 20 30 BCEDRO CC(C)[C@@H](C(=O)OCC1(C#N)COC1)[NH+](C)C ZINC000811045803 586553608 /nfs/dbraw/zinc/55/36/08/586553608.db2.gz LPQIGNNIILRMQW-JTQLQIEISA-N 1 0 240.303 0.656 20 30 BCEDRO CC[C@H](O)CNN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000811652553 586563576 /nfs/dbraw/zinc/56/35/76/586563576.db2.gz PHBGBWDVOUVNQD-ONGXEEELSA-N 1 0 211.309 0.571 20 30 BCEDRO CON=C1CC[NH+](CC(C)(C)O)CC1 ZINC000814217677 586615646 /nfs/dbraw/zinc/61/56/46/586615646.db2.gz MCENBAIZEBQTCL-UHFFFAOYSA-N 1 0 200.282 0.856 20 30 BCEDRO C[C@@H](CO)NN=C1CC[NH+](CC(C)(C)O)CC1 ZINC000814223150 586617962 /nfs/dbraw/zinc/61/79/62/586617962.db2.gz CEXWCNQTTONUSH-JTQLQIEISA-N 1 0 243.351 0.180 20 30 BCEDRO C#C[C@H](C)NC(=O)NCc1cnccc1OC ZINC000814321385 586621275 /nfs/dbraw/zinc/62/12/75/586621275.db2.gz KMVRTIVWQHHFFC-VIFPVBQESA-N 1 0 233.271 0.911 20 30 BCEDRO C#CCCN1CC[NH+](C[C@H](O)C(C)C)CC1 ZINC000814628922 586627221 /nfs/dbraw/zinc/62/72/21/586627221.db2.gz FTHCPEKJYJBOHN-ZDUSSCGKSA-N 1 0 224.348 0.644 20 30 BCEDRO NC(=[NH2+])NN=Cc1nc2c(s1)CCCC2 ZINC000814796767 586634334 /nfs/dbraw/zinc/63/43/34/586634334.db2.gz OWPYYOQGSPMAMD-UHFFFAOYSA-N 1 0 223.305 0.839 20 30 BCEDRO Cn1ncc(C=NOCc2cccnc2)c1N ZINC000814884076 586642481 /nfs/dbraw/zinc/64/24/81/586642481.db2.gz NMVQUGDHYZFKFD-UHFFFAOYSA-N 1 0 231.259 0.948 20 30 BCEDRO Cn1ccc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)n1 ZINC000814885758 586643003 /nfs/dbraw/zinc/64/30/03/586643003.db2.gz JERCJMYRTMWQDO-PHIMTYICSA-N 1 0 246.318 0.614 20 30 BCEDRO C[C@H]1CNC(NN=C2CCOC2(C)C)=[NH+]1 ZINC000814898794 586645641 /nfs/dbraw/zinc/64/56/41/586645641.db2.gz WFLTVBCZSLSRRH-ZETCQYMHSA-N 1 0 210.281 0.479 20 30 BCEDRO C[C@@H]1CC(N=Nc2cnnn2C)C[N@@H+]1C1CC1 ZINC000814981310 586663111 /nfs/dbraw/zinc/66/31/11/586663111.db2.gz BTSYINAUGVXVKN-MRVPVSSYSA-N 1 0 234.307 0.840 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@H]1CCCCNC1=O ZINC000815037123 586664498 /nfs/dbraw/zinc/66/44/98/586664498.db2.gz FJTIFACVPOWDFK-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCOCC[C@@H]1C ZINC000815085573 586666150 /nfs/dbraw/zinc/66/61/50/586666150.db2.gz ZUYVIHCUNPZIIX-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@H]3C[C@@]3(CO)C2)C1 ZINC000815100695 586666654 /nfs/dbraw/zinc/66/66/54/586666654.db2.gz VNUFBQGPVQKBFC-WYUUTHIRSA-N 1 0 206.289 0.993 20 30 BCEDRO C[N@H+](CCOCCC#N)C1(CO)CCC1 ZINC000815120428 586667282 /nfs/dbraw/zinc/66/72/82/586667282.db2.gz ICNSZQAJBIPPTN-UHFFFAOYSA-N 1 0 212.293 0.763 20 30 BCEDRO CCNC(=O)[C@@H]([NH2+]CCO[C@@H](C)C#N)C(C)C ZINC000815133738 586668637 /nfs/dbraw/zinc/66/86/37/586668637.db2.gz UPDKCYIHKKZPRA-QWRGUYRKSA-N 1 0 241.335 0.665 20 30 BCEDRO C=CCC(F)(F)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000816111327 586709187 /nfs/dbraw/zinc/70/91/87/586709187.db2.gz VNXCMCXPMRROJZ-SNVBAGLBSA-N 1 0 248.273 0.381 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)CC1CCC1 ZINC000816802587 586764869 /nfs/dbraw/zinc/76/48/69/586764869.db2.gz RFVLFSWKHVQDNT-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000816915607 586771219 /nfs/dbraw/zinc/77/12/19/586771219.db2.gz FDDSDCPAIMTHHU-ZJUUUORDSA-N 1 0 214.309 0.380 20 30 BCEDRO CC(=[NH+]N[C@@H]1CCC[C@H]1O)c1ccc(N)nc1 ZINC000817338795 586797506 /nfs/dbraw/zinc/79/75/06/586797506.db2.gz JUDPYQRZGIBLGO-GHMZBOCLSA-N 1 0 234.303 0.891 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817494531 586808389 /nfs/dbraw/zinc/80/83/89/586808389.db2.gz KBZVWORREJNZPF-NEPJUHHUSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000859888853 589068267 /nfs/dbraw/zinc/06/82/67/589068267.db2.gz KXMUERRYMHOSMA-SUNKGSAMSA-N 1 0 211.330 0.995 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H](O)C(C)(C)C ZINC000818589105 586904188 /nfs/dbraw/zinc/90/41/88/586904188.db2.gz QUDHRQSFBCTDLT-LLVKDONJSA-N 1 0 240.347 0.465 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000818969897 586918026 /nfs/dbraw/zinc/91/80/26/586918026.db2.gz BEQAXSWZPYDDOF-GFCCVEGCSA-N 1 0 239.363 0.657 20 30 BCEDRO C#CCOCCC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000818972713 586919548 /nfs/dbraw/zinc/91/95/48/586919548.db2.gz YGHGHMOTMFHFHS-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C=CCN1CCC([NH2+]C[C@H](O)C2CC2)CC1 ZINC000819022369 586924419 /nfs/dbraw/zinc/92/44/19/586924419.db2.gz KSMLQXBENFKYKX-ZDUSSCGKSA-N 1 0 224.348 0.997 20 30 BCEDRO N#CCN1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000819035975 586926187 /nfs/dbraw/zinc/92/61/87/586926187.db2.gz YRIDSCRJNFYENQ-GFCCVEGCSA-N 1 0 223.320 0.335 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cc(CC)n[nH]1 ZINC000819052818 586927409 /nfs/dbraw/zinc/92/74/09/586927409.db2.gz FGQCMJRYEFDIAL-UHFFFAOYSA-N 1 0 234.303 0.201 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](CO)CC1 ZINC000819229358 586940158 /nfs/dbraw/zinc/94/01/58/586940158.db2.gz PZUDOBZAUJQQNU-LBPRGKRZSA-N 1 0 240.347 0.725 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)CC(F)(F)F ZINC000819230960 586941116 /nfs/dbraw/zinc/94/11/16/586941116.db2.gz NSMAJISBAKWTQW-QMMMGPOBSA-N 1 0 225.210 0.539 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000819230650 586941164 /nfs/dbraw/zinc/94/11/64/586941164.db2.gz KIIRZVDBFVVUJK-CQSZACIVSA-N 1 0 233.311 0.829 20 30 BCEDRO Cn1ncc(CCC[NH2+]C[C@@H](C#N)CCC#N)n1 ZINC000819331304 586953179 /nfs/dbraw/zinc/95/31/79/586953179.db2.gz QILRKWBLLDMYPC-LLVKDONJSA-N 1 0 246.318 0.781 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CC(O)(CC)CC ZINC000860067520 589078748 /nfs/dbraw/zinc/07/87/48/589078748.db2.gz LVAJMKKDTRYXKB-UHFFFAOYSA-N 1 0 240.347 0.609 20 30 BCEDRO CCO[C@@H]1CC(N=NC(N)=[NH2+])[C@]12CCCO2 ZINC000819806490 586996166 /nfs/dbraw/zinc/99/61/66/586996166.db2.gz SRWBHCUAWJFGKP-PSASIEDQSA-N 1 0 226.280 0.183 20 30 BCEDRO OCC[NH+]1CCC(=NNC2CCCC2)CC1 ZINC000819808503 586996597 /nfs/dbraw/zinc/99/65/97/586996597.db2.gz WYJFGILTHQVUAZ-UHFFFAOYSA-N 1 0 225.336 0.963 20 30 BCEDRO Cn1cc(N=NC2CC[NH+](CCO)CC2)cn1 ZINC000819809920 586996786 /nfs/dbraw/zinc/99/67/86/586996786.db2.gz RRWOBVLJKCWCOF-UHFFFAOYSA-N 1 0 237.307 0.276 20 30 BCEDRO CS[C@H]1CCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000819811813 586997125 /nfs/dbraw/zinc/99/71/25/586997125.db2.gz CMUZLUKRKCFNTP-XPUUQOCRSA-N 1 0 212.322 0.805 20 30 BCEDRO C#CC(C)(C)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000819971967 587009251 /nfs/dbraw/zinc/00/92/51/587009251.db2.gz SFVIASUACSRXLB-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860131508 589081587 /nfs/dbraw/zinc/08/15/87/589081587.db2.gz MQGSNJYVJGFSNR-WRWGMCAJSA-N 1 0 224.304 0.760 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000820428684 587048165 /nfs/dbraw/zinc/04/81/65/587048165.db2.gz REZHZFPLMKVDTI-NWDGAFQWSA-N 1 0 237.347 0.990 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000820435399 587048897 /nfs/dbraw/zinc/04/88/97/587048897.db2.gz IPKLAIFGQZBCQY-RYUDHWBXSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000820435401 587049008 /nfs/dbraw/zinc/04/90/08/587049008.db2.gz IPKLAIFGQZBCQY-VXGBXAGGSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000820435398 587049055 /nfs/dbraw/zinc/04/90/55/587049055.db2.gz IPKLAIFGQZBCQY-NWDGAFQWSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000820440349 587049382 /nfs/dbraw/zinc/04/93/82/587049382.db2.gz IXSYKKJJSCGYCA-LBPRGKRZSA-N 1 0 237.347 0.991 20 30 BCEDRO N#CCCCC[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC000860159704 589083311 /nfs/dbraw/zinc/08/33/11/589083311.db2.gz NXWGEOIBKVWLMJ-UWVGGRQHSA-N 1 0 208.261 0.785 20 30 BCEDRO CC(=O)N1C[C@@H]2C[N@@H+](CCCC#N)C[C@@H]2C1 ZINC000821329318 587108482 /nfs/dbraw/zinc/10/84/82/587108482.db2.gz ZHKMSBZDCCTFDL-TXEJJXNPSA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@H]1CC(NC(=O)C[NH+]2CCCC2)=NO1 ZINC000821399564 587116973 /nfs/dbraw/zinc/11/69/73/587116973.db2.gz MOQATNGGVSMJGT-QMMMGPOBSA-N 1 0 211.265 0.321 20 30 BCEDRO C#CCOCCNC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000821880918 587145340 /nfs/dbraw/zinc/14/53/40/587145340.db2.gz FLCVGUUEQGBTDJ-NXEZZACHSA-N 1 0 233.271 0.279 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000821911846 587146541 /nfs/dbraw/zinc/14/65/41/587146541.db2.gz FRWWZKNKTGHTMK-SNVBAGLBSA-N 1 0 212.293 0.135 20 30 BCEDRO C#CCN(C(=O)C[NH+]1CCCC1)C1CC1 ZINC000821961850 587148357 /nfs/dbraw/zinc/14/83/57/587148357.db2.gz VQSSWORREMXRLX-UHFFFAOYSA-N 1 0 206.289 0.706 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CCC)CCO ZINC000822437641 587167682 /nfs/dbraw/zinc/16/76/82/587167682.db2.gz GDXHZVVVISTARB-UHFFFAOYSA-N 1 0 214.309 0.335 20 30 BCEDRO CC(C)(C[NH+]1CCOCC1)C(=O)NCCC#N ZINC000822502174 587172239 /nfs/dbraw/zinc/17/22/39/587172239.db2.gz LMMUMIWRQAETSO-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO C#C[C@H](NC(=O)C[NH+]1CCCC1)C(C)C ZINC000822667318 587180344 /nfs/dbraw/zinc/18/03/44/587180344.db2.gz VGXRRDOPQVFTIJ-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCCN1CC[NH+](CC[C@H](C)O)CC1 ZINC000822784912 587186086 /nfs/dbraw/zinc/18/60/86/587186086.db2.gz IMWSLLLALHTNEB-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO C[C@H](C(=O)NCc1ccc(C#N)cn1)[NH+](C)C ZINC000822948998 587195218 /nfs/dbraw/zinc/19/52/18/587195218.db2.gz CYSJDNKADDLEIE-SECBINFHSA-N 1 0 232.287 0.520 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000823025542 587198660 /nfs/dbraw/zinc/19/86/60/587198660.db2.gz RHUFTJSZWYMZFG-NWDGAFQWSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000823132808 587203542 /nfs/dbraw/zinc/20/35/42/587203542.db2.gz IMSRTFYCMKWVCB-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1CCO[C@@H](C)C#N ZINC000823195131 587207369 /nfs/dbraw/zinc/20/73/69/587207369.db2.gz PMYDCZXMOGVEPS-NWDGAFQWSA-N 1 0 225.336 0.941 20 30 BCEDRO C#CCC[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000823650364 587234508 /nfs/dbraw/zinc/23/45/08/587234508.db2.gz ZTEXKZWBELGSGY-UHFFFAOYSA-N 1 0 221.304 0.499 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1nn(CC)nc1C ZINC000824066008 587253148 /nfs/dbraw/zinc/25/31/48/587253148.db2.gz KNJUCHUJQHYJKZ-NSHDSACASA-N 1 0 238.335 0.881 20 30 BCEDRO C=C(CO)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000824086734 587254584 /nfs/dbraw/zinc/25/45/84/587254584.db2.gz OHWWPZFWSABGFU-NXEZZACHSA-N 1 0 226.320 0.380 20 30 BCEDRO CON=CC(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824095500 587255195 /nfs/dbraw/zinc/25/51/95/587255195.db2.gz SSGYVFJFWYRAFQ-IUCAKERBSA-N 1 0 227.308 0.464 20 30 BCEDRO C=C[C@H](C)ONC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000824233559 587262105 /nfs/dbraw/zinc/26/21/05/587262105.db2.gz UFKGDUZRASVSIY-UWVGGRQHSA-N 1 0 212.293 0.951 20 30 BCEDRO C=C[C@@H](C)ONC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000824233558 587262131 /nfs/dbraw/zinc/26/21/31/587262131.db2.gz UFKGDUZRASVSIY-NXEZZACHSA-N 1 0 212.293 0.951 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1cnccn1 ZINC000824344991 587266709 /nfs/dbraw/zinc/26/67/09/587266709.db2.gz ITMQJZDVOPDPOU-JTQLQIEISA-N 1 0 234.303 0.772 20 30 BCEDRO C#CC1CCN(C(=O)NCCC[NH+](C)C)CC1 ZINC000825534988 587324174 /nfs/dbraw/zinc/32/41/74/587324174.db2.gz WPCPLPZZHIDMSC-UHFFFAOYSA-N 1 0 237.347 0.993 20 30 BCEDRO C[C@H]1CCC[N@@H+]1CCNc1ncncc1C#N ZINC000825790673 587339249 /nfs/dbraw/zinc/33/92/49/587339249.db2.gz PVQXVRBTYXAELV-JTQLQIEISA-N 1 0 231.303 0.666 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000825985092 587347830 /nfs/dbraw/zinc/34/78/30/587347830.db2.gz XTROHHLYHYAMFR-JTQLQIEISA-N 1 0 226.320 0.529 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000826831312 587363831 /nfs/dbraw/zinc/36/38/31/587363831.db2.gz VWXNXQMMYJYVNS-IJLUTSLNSA-N 1 0 238.331 0.481 20 30 BCEDRO CC#CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827266356 587374813 /nfs/dbraw/zinc/37/48/13/587374813.db2.gz KBSLFBIJYMOYBH-WDEREUQCSA-N 1 0 206.289 0.562 20 30 BCEDRO C#Cc1cnc(NC2CC[NH+](C)CC2)nc1 ZINC000827317089 587376815 /nfs/dbraw/zinc/37/68/15/587376815.db2.gz ODAITJGCQBZGJB-UHFFFAOYSA-N 1 0 216.288 0.964 20 30 BCEDRO C#Cc1cnc(N2CC[NH+](CC3CC3)CC2)nc1 ZINC000827425572 587380697 /nfs/dbraw/zinc/38/06/97/587380697.db2.gz KKJBJDJVBVQWRL-UHFFFAOYSA-N 1 0 242.326 0.990 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000827488790 587383045 /nfs/dbraw/zinc/38/30/45/587383045.db2.gz LEEVLQNRHBHZAM-WDEREUQCSA-N 1 0 228.336 0.626 20 30 BCEDRO C#C[C@H]([NH2+]Cc1cnnn1C)C1CCOCC1 ZINC000827564619 587388348 /nfs/dbraw/zinc/38/83/48/587388348.db2.gz DVGHOSMSKNGRLD-LBPRGKRZSA-N 1 0 234.303 0.333 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1cncnc1)C1CCOCC1 ZINC000827569750 587389102 /nfs/dbraw/zinc/38/91/02/587389102.db2.gz FQFIJPDYFMRKMQ-CYBMUJFWSA-N 1 0 231.299 0.995 20 30 BCEDRO C#Cc1cnc(N2CC[C@@H]([NH+]3CC=CC3)C2)nc1 ZINC000827685623 587396710 /nfs/dbraw/zinc/39/67/10/587396710.db2.gz PCGYQOCGFDILND-CYBMUJFWSA-N 1 0 240.310 0.908 20 30 BCEDRO C#Cc1cnc(NC[C@@](C)(O)C[NH+](C)C)nc1 ZINC000827803374 587403241 /nfs/dbraw/zinc/40/32/41/587403241.db2.gz NPTPNTPTAYNIBD-GFCCVEGCSA-N 1 0 234.303 0.182 20 30 BCEDRO Cn1cc(C(=O)NCC#CC[NH+](C)C)cc1C=O ZINC000827971641 587414138 /nfs/dbraw/zinc/41/41/38/587414138.db2.gz CPJQPQSQNNKVNU-UHFFFAOYSA-N 1 0 247.298 0.132 20 30 BCEDRO C#Cc1cnc(N[C@@H](C)C[NH+](C)C)nc1 ZINC000828201657 587423754 /nfs/dbraw/zinc/42/37/54/587423754.db2.gz LLBKQWUEIVCXHL-VIFPVBQESA-N 1 0 204.277 0.820 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)CCCC[NH+](C)C ZINC000828270039 587429981 /nfs/dbraw/zinc/42/99/81/587429981.db2.gz VYMFUXNTYIMJHG-JTQLQIEISA-N 1 0 214.309 0.334 20 30 BCEDRO C#C[C@H]([NH2+]C[C@](C)(O)C(C)=O)[C@@H]1CCCO1 ZINC000828954889 587474687 /nfs/dbraw/zinc/47/46/87/587474687.db2.gz YBWZIBIAORNGFN-SRVKXCTJSA-N 1 0 225.288 0.097 20 30 BCEDRO C#C[C@H]([NH2+]CCC[C@@H](C)O)[C@H]1CCCO1 ZINC000828952873 587475031 /nfs/dbraw/zinc/47/50/31/587475031.db2.gz DKBDOUGRZSUUMX-GRYCIOLGSA-N 1 0 211.305 0.918 20 30 BCEDRO C=CC[C@H](NC(=O)COCC[NH3+])c1ccncc1 ZINC000829689917 587510042 /nfs/dbraw/zinc/51/00/42/587510042.db2.gz GLLMCCOJSVIWAL-LBPRGKRZSA-N 1 0 249.314 0.790 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](CO)CC(C)C ZINC000829728735 587512296 /nfs/dbraw/zinc/51/22/96/587512296.db2.gz UDEOCQSMRSXEOU-LBPRGKRZSA-N 1 0 242.363 0.970 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)COC)C1 ZINC000829785013 587516469 /nfs/dbraw/zinc/51/64/69/587516469.db2.gz PCJVZMMFYLBWKR-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC000829814819 587518931 /nfs/dbraw/zinc/51/89/31/587518931.db2.gz ADHPLAMQSQSNQR-LBPRGKRZSA-N 1 0 235.331 0.747 20 30 BCEDRO CCOC(C[N@@H+]1CC[C@@](O)(CC#N)C1)OCC ZINC000829992176 587531220 /nfs/dbraw/zinc/53/12/20/587531220.db2.gz STTGMKSHBLMOKG-LBPRGKRZSA-N 1 0 242.319 0.736 20 30 BCEDRO C#CC1CC[NH+](CC(=O)NCC=C)CC1 ZINC000830311184 587545563 /nfs/dbraw/zinc/54/55/63/587545563.db2.gz GVKXMBLOSCBJKV-UHFFFAOYSA-N 1 0 206.289 0.634 20 30 BCEDRO C#CC1CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000830321218 587545961 /nfs/dbraw/zinc/54/59/61/587545961.db2.gz BLUINIDRRUFXND-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO CC(C)C#CC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000831006587 587582575 /nfs/dbraw/zinc/58/25/75/587582575.db2.gz BMFCGJYGRKATGG-LBPRGKRZSA-N 1 0 226.320 0.075 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000831358673 587600839 /nfs/dbraw/zinc/60/08/39/587600839.db2.gz MGOWMMWAWRIAHY-UHTWSYAYSA-N 1 0 248.326 0.283 20 30 BCEDRO C[C@H]1CC(NC(=O)C2([NH+](C)C)CC2)=NO1 ZINC000831398646 587601882 /nfs/dbraw/zinc/60/18/82/587601882.db2.gz DZORPYZOIWOHPN-ZETCQYMHSA-N 1 0 211.265 0.319 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000831386805 587602251 /nfs/dbraw/zinc/60/22/51/587602251.db2.gz QUHDZLBIPCABJA-MVWJERBFSA-N 1 0 238.331 0.385 20 30 BCEDRO CCO[C@H](CNC(=O)[C@H](C)CC#N)C[NH+](C)C ZINC000831709325 587628284 /nfs/dbraw/zinc/62/82/84/587628284.db2.gz ZCVAHLVKLZHLKA-GHMZBOCLSA-N 1 0 241.335 0.619 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000831754325 587630171 /nfs/dbraw/zinc/63/01/71/587630171.db2.gz ZIOIVTAPKMFVBE-NHCYSSNCSA-N 1 0 242.294 0.395 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)C[C@@H]([NH3+])C1CC1 ZINC000831789882 587631963 /nfs/dbraw/zinc/63/19/63/587631963.db2.gz VDWJUFDVIOSOSY-MRVPVSSYSA-N 1 0 219.248 0.347 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@@H](CO)CC(C)(C)C ZINC000832084665 587644788 /nfs/dbraw/zinc/64/47/88/587644788.db2.gz MTSYGPCTPSGODF-LLVKDONJSA-N 1 0 240.347 0.465 20 30 BCEDRO COC[C@@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000832605784 587669053 /nfs/dbraw/zinc/66/90/53/587669053.db2.gz OXBHTWBHQLJCCL-NSHDSACASA-N 1 0 239.319 0.517 20 30 BCEDRO CCO[C@H](CC)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834500166 587755954 /nfs/dbraw/zinc/75/59/54/587755954.db2.gz QOFFOHVFGQQFIN-OPRDCNLKSA-N 1 0 225.292 0.029 20 30 BCEDRO Cc1cscc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834479941 587756046 /nfs/dbraw/zinc/75/60/46/587756046.db2.gz JQGVKUYNERMKRH-WPRPVWTQSA-N 1 0 235.312 0.898 20 30 BCEDRO C=CCOCCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834480236 587756062 /nfs/dbraw/zinc/75/60/62/587756062.db2.gz NBSXFIACXIFOHP-QWRGUYRKSA-N 1 0 237.303 0.197 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(F)n1 ZINC000834479573 587756068 /nfs/dbraw/zinc/75/60/68/587756068.db2.gz GEUCNAJHLZFTPD-IONNQARKSA-N 1 0 234.234 0.062 20 30 BCEDRO CCCc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)[nH]n1 ZINC000834479527 587756158 /nfs/dbraw/zinc/75/61/58/587756158.db2.gz FKSOEMWNMXRVDI-KWQFWETISA-N 1 0 247.302 0.204 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC12CCCC2 ZINC000834479955 587756164 /nfs/dbraw/zinc/75/61/64/587756164.db2.gz JWFXRZDJUYGJSH-MXWKQRLJSA-N 1 0 233.315 0.794 20 30 BCEDRO C=CCCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834480180 587756216 /nfs/dbraw/zinc/75/62/16/587756216.db2.gz MGWPUXBHKKPRON-UWVGGRQHSA-N 1 0 207.277 0.570 20 30 BCEDRO Cc1cc(F)ccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834480229 587756244 /nfs/dbraw/zinc/75/62/44/587756244.db2.gz MYWCCALRECBZEY-BXKDBHETSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@H]1CCOC1 ZINC000834479740 587756246 /nfs/dbraw/zinc/75/62/46/587756246.db2.gz IACCWMVESMYHHY-AXFHLTTASA-N 1 0 237.303 0.031 20 30 BCEDRO Cc1cccnc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834479236 587756269 /nfs/dbraw/zinc/75/62/69/587756269.db2.gz BHPVJTOUNFWITO-ZJUUUORDSA-N 1 0 230.271 0.231 20 30 BCEDRO C=CCCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834480181 587756311 /nfs/dbraw/zinc/75/63/11/587756311.db2.gz MGWPUXBHKKPRON-VHSXEESVSA-N 1 0 207.277 0.570 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C(C1CC1)C1CC1 ZINC000834480794 587756323 /nfs/dbraw/zinc/75/63/23/587756323.db2.gz WFTGLVQWPLASPM-GHMZBOCLSA-N 1 0 233.315 0.650 20 30 BCEDRO CCCC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834481054 587756350 /nfs/dbraw/zinc/75/63/50/587756350.db2.gz ZNKANIHVGHEIJV-UWVGGRQHSA-N 1 0 221.304 0.794 20 30 BCEDRO Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1F ZINC000834480832 587756435 /nfs/dbraw/zinc/75/64/35/587756435.db2.gz WWKAEYHCMDDBLG-MWLCHTKSSA-N 1 0 247.273 0.976 20 30 BCEDRO CC[C@H](C)OCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834480407 587756441 /nfs/dbraw/zinc/75/64/41/587756441.db2.gz PPJXQOUVANBDNI-IVZWLZJFSA-N 1 0 225.292 0.029 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCC1CCC1 ZINC000834480729 587756449 /nfs/dbraw/zinc/75/64/49/587756449.db2.gz VJKNORPEBZJBCI-QWRGUYRKSA-N 1 0 221.304 0.794 20 30 BCEDRO Cc1cc(F)cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834480458 587756471 /nfs/dbraw/zinc/75/64/71/587756471.db2.gz QGPRUJSSWCCXEI-JQWIXIFHSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccncc1F ZINC000834488434 587756643 /nfs/dbraw/zinc/75/66/43/587756643.db2.gz CJNAVNJKTKPRNU-OIBJUYFYSA-N 1 0 234.234 0.062 20 30 BCEDRO CC(C)n1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000834488941 587756775 /nfs/dbraw/zinc/75/67/75/587756775.db2.gz HWOHOMLTPLYIQN-GXSJLCMTSA-N 1 0 247.302 0.305 20 30 BCEDRO CCc1ocnc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834489211 587756947 /nfs/dbraw/zinc/75/69/47/587756947.db2.gz KSYRRDHIAMJERF-HTQZYQBOSA-N 1 0 234.259 0.078 20 30 BCEDRO CCCCOCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834490993 587757023 /nfs/dbraw/zinc/75/70/23/587757023.db2.gz ZEDTVSDJDPMGCA-UWVGGRQHSA-N 1 0 225.292 0.031 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cccc(N)c1 ZINC000834493819 587757212 /nfs/dbraw/zinc/75/72/12/587757212.db2.gz HSPLABXRCLMNEE-PWSUYJOCSA-N 1 0 244.298 0.039 20 30 BCEDRO Cc1cncc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834490536 587757228 /nfs/dbraw/zinc/75/72/28/587757228.db2.gz VQRWPFIGZZPSKP-MNOVXSKESA-N 1 0 230.271 0.231 20 30 BCEDRO CC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCOCC1 ZINC000834494107 587757265 /nfs/dbraw/zinc/75/72/65/587757265.db2.gz KGABZBPQESANHQ-UWVGGRQHSA-N 1 0 237.303 0.031 20 30 BCEDRO CC(C)c1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)no1 ZINC000834498879 587757287 /nfs/dbraw/zinc/75/72/87/587757287.db2.gz CNSAWMMWTUQLJD-SCZZXKLOSA-N 1 0 248.286 0.639 20 30 BCEDRO C[C@H](CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C1CC1 ZINC000834495427 587757463 /nfs/dbraw/zinc/75/74/63/587757463.db2.gz VMHHAAKSQSRSMT-MIMYLULJSA-N 1 0 221.304 0.650 20 30 BCEDRO CCCCO[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834495434 587757504 /nfs/dbraw/zinc/75/75/04/587757504.db2.gz VOJTVWPQLAHOCZ-OUAUKWLOSA-N 1 0 239.319 0.419 20 30 BCEDRO CCn1nc(C)cc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834494520 587757525 /nfs/dbraw/zinc/75/75/25/587757525.db2.gz NRPQIPNIHBBYFC-ZJUUUORDSA-N 1 0 247.302 0.053 20 30 BCEDRO Cc1nscc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834499434 587757619 /nfs/dbraw/zinc/75/76/19/587757619.db2.gz IKXCYEXMYGSEGE-VXNVDRBHSA-N 1 0 236.300 0.293 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(F)cn1 ZINC000834499831 587757893 /nfs/dbraw/zinc/75/78/93/587757893.db2.gz NGXFOOLLHXKLNB-XCBNKYQSSA-N 1 0 234.234 0.062 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1CCCCC1 ZINC000834505426 587757976 /nfs/dbraw/zinc/75/79/76/587757976.db2.gz KPEJICRMELOTKQ-WDEREUQCSA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccccc1N ZINC000834505856 587757996 /nfs/dbraw/zinc/75/79/96/587757996.db2.gz OSUFFFQOIGMRSG-CMPLNLGQSA-N 1 0 244.298 0.039 20 30 BCEDRO CCOCC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834506307 587758110 /nfs/dbraw/zinc/75/81/10/587758110.db2.gz RVWBIGXMXPTCGK-UWVGGRQHSA-N 1 0 237.303 0.031 20 30 BCEDRO Cc1ccsc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834506696 587758127 /nfs/dbraw/zinc/75/81/27/587758127.db2.gz VGHLYIKPYVNJRA-IUCAKERBSA-N 1 0 235.312 0.898 20 30 BCEDRO Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834510903 587758153 /nfs/dbraw/zinc/75/81/53/587758153.db2.gz GYAXCGRNGZLXPW-NEPJUHHUSA-N 1 0 229.283 0.836 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC1CCCC1 ZINC000834512186 587758195 /nfs/dbraw/zinc/75/81/95/587758195.db2.gz SQMWFYVMJYOPDZ-MNOVXSKESA-N 1 0 221.304 0.794 20 30 BCEDRO Cc1ccsc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834506694 587758347 /nfs/dbraw/zinc/75/83/47/587758347.db2.gz VGHLYIKPYVNJRA-BDAKNGLRSA-N 1 0 235.312 0.898 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccc(F)cc1 ZINC000834510338 587758365 /nfs/dbraw/zinc/75/83/65/587758365.db2.gz AHSDYRRUXCOREO-ZYHUDNBSSA-N 1 0 247.273 0.596 20 30 BCEDRO COCc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)o1 ZINC000834517583 587758504 /nfs/dbraw/zinc/75/85/04/587758504.db2.gz XHHDKDREQOSLCO-WCBMZHEXSA-N 1 0 249.270 0.267 20 30 BCEDRO CC(C)OCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834517806 587758547 /nfs/dbraw/zinc/75/85/47/587758547.db2.gz ZJHXRBIBHHYTAQ-NXEZZACHSA-N 1 0 225.292 0.029 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Cl)o1 ZINC000834517710 587758601 /nfs/dbraw/zinc/75/86/01/587758601.db2.gz YMFOAKOMSPVLIX-BQBZGAKWSA-N 1 0 239.662 0.774 20 30 BCEDRO Cc1ccccc1CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834512501 587758673 /nfs/dbraw/zinc/75/86/73/587758673.db2.gz XYWZKEWHAGKEDB-STQMWFEESA-N 1 0 243.310 0.765 20 30 BCEDRO C#CCn1cc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000834610065 587760769 /nfs/dbraw/zinc/76/07/69/587760769.db2.gz VJFRXWQEWSPNMI-GFCCVEGCSA-N 1 0 246.314 0.084 20 30 BCEDRO CON=CC(=O)NCC12CCC[NH+]1CCC2 ZINC000834752926 587765875 /nfs/dbraw/zinc/76/58/75/587765875.db2.gz VTWHSDDJDXYOKP-UHFFFAOYSA-N 1 0 225.292 0.363 20 30 BCEDRO CC(Cc1ccccn1)=NNC1=[NH+][C@H](C)CN1 ZINC000834971427 587774383 /nfs/dbraw/zinc/77/43/83/587774383.db2.gz WJJBTEVDOUPAMG-SNVBAGLBSA-N 1 0 231.303 0.937 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccncn1 ZINC000835001892 587777108 /nfs/dbraw/zinc/77/71/08/587777108.db2.gz LITNIPGAAICAMM-MRVPVSSYSA-N 1 0 205.265 0.826 20 30 BCEDRO C#CCN(C)S(=O)(=O)CCC[NH+]1CCCC1 ZINC000867177071 587834387 /nfs/dbraw/zinc/83/43/87/587834387.db2.gz NBVHKCMRZAVUED-UHFFFAOYSA-N 1 0 244.360 0.367 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](OC)[C@H](C)C1 ZINC000836837938 587839245 /nfs/dbraw/zinc/83/92/45/587839245.db2.gz NOGUSITVITUWOA-PWSUYJOCSA-N 1 0 240.347 0.988 20 30 BCEDRO CC[C@H](C)[NH+]1CCN(C(=O)C=NOC)CC1 ZINC000837004264 587847356 /nfs/dbraw/zinc/84/73/56/587847356.db2.gz GLWADMCSHUSURE-JTQLQIEISA-N 1 0 227.308 0.561 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)C1CCC1 ZINC000837114596 587855025 /nfs/dbraw/zinc/85/50/25/587855025.db2.gz RZRUVRAFIYDQGI-NSHDSACASA-N 1 0 226.320 0.381 20 30 BCEDRO CON=CC(=O)NCC[N@@H+]1CCCC1(C)C ZINC000837175629 587857844 /nfs/dbraw/zinc/85/78/44/587857844.db2.gz UZCKPGCXTKBDEK-UHFFFAOYSA-N 1 0 227.308 0.609 20 30 BCEDRO CC#CC(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000837192622 587858825 /nfs/dbraw/zinc/85/88/25/587858825.db2.gz RVNTUIFRVMMILD-LLVKDONJSA-N 1 0 208.305 0.951 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC(C)(C)C[NH+](C)C ZINC000837246031 587861166 /nfs/dbraw/zinc/86/11/66/587861166.db2.gz MZVSQZSRAZRMEK-SNVBAGLBSA-N 1 0 226.320 0.481 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](C)O1 ZINC000837282927 587863679 /nfs/dbraw/zinc/86/36/79/587863679.db2.gz NPUBGXRVPXDRTD-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO O=C(C#CC1CC1)N1CC[NH+](CC2CC2)CC1 ZINC000837355015 587868792 /nfs/dbraw/zinc/86/87/92/587868792.db2.gz YBTGETSOKRLFKT-UHFFFAOYSA-N 1 0 232.327 0.954 20 30 BCEDRO CC[N@H+](CCO)CCNC(=O)C#CC(C)(C)C ZINC000837539803 587880373 /nfs/dbraw/zinc/88/03/73/587880373.db2.gz XMKHJYXRPMHZDM-UHFFFAOYSA-N 1 0 240.347 0.466 20 30 BCEDRO CN(CC[N@H+](C)C1CC1)C(=O)C#CC1CC1 ZINC000837538042 587880520 /nfs/dbraw/zinc/88/05/20/587880520.db2.gz IVOZYUVFEUJXOG-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO C#Cc1ccc(C(=O)NC2CN(C(C)C)C2)nc1 ZINC000837549290 587881355 /nfs/dbraw/zinc/88/13/55/587881355.db2.gz SAYUZSSWWDZNBR-UHFFFAOYSA-N 1 0 243.310 0.885 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000837665238 587889024 /nfs/dbraw/zinc/88/90/24/587889024.db2.gz CMIFBCJOKJNJDT-NWDGAFQWSA-N 1 0 218.300 0.562 20 30 BCEDRO C[NH+](C)CC(C)(C)NC(=O)C#CC1CC1 ZINC000837694508 587891924 /nfs/dbraw/zinc/89/19/24/587891924.db2.gz MNCKSQRSGZKTRT-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCNC(=S)NC(C)(C)C[NH+](C)C ZINC000840837206 587924721 /nfs/dbraw/zinc/92/47/21/587924721.db2.gz IBZAYXBLXWPCQN-UHFFFAOYSA-N 1 0 215.366 0.977 20 30 BCEDRO Cc1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)nc1 ZINC000841184053 587948335 /nfs/dbraw/zinc/94/83/35/587948335.db2.gz ZDLNTOFEQBBEGO-NXEZZACHSA-N 1 0 245.286 0.623 20 30 BCEDRO Cc1ccc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)nc1 ZINC000841184056 587948483 /nfs/dbraw/zinc/94/84/83/587948483.db2.gz ZDLNTOFEQBBEGO-UWVGGRQHSA-N 1 0 245.286 0.623 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc2c(c1)CCO2 ZINC000841658549 587968853 /nfs/dbraw/zinc/96/88/53/587968853.db2.gz FMFWUIHGZIAWJJ-UHFFFAOYSA-N 1 0 244.298 0.894 20 30 BCEDRO CCOc1cc(C=NNC2=[NH+]CCN2)ccc1O ZINC000841660169 587969304 /nfs/dbraw/zinc/96/93/04/587969304.db2.gz DIUPGBLTPYENGT-UHFFFAOYSA-N 1 0 248.286 0.674 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc(O)cc1F ZINC000841660461 587969715 /nfs/dbraw/zinc/96/97/15/587969715.db2.gz YOVYGQZTGBMEPJ-UHFFFAOYSA-N 1 0 236.250 0.804 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc2c(c1)COC2 ZINC000841660445 587969765 /nfs/dbraw/zinc/96/97/65/587969765.db2.gz XYGWULISPNNEJQ-UHFFFAOYSA-N 1 0 244.298 0.990 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]CCN2)c(C)[nH]1 ZINC000841661264 587970001 /nfs/dbraw/zinc/97/00/01/587970001.db2.gz LXSDNJWDAFZWJR-UHFFFAOYSA-N 1 0 205.265 0.514 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccccc1[N+](=O)[O-] ZINC000841661079 587970110 /nfs/dbraw/zinc/97/01/10/587970110.db2.gz JSZJFRIIGMEYGZ-UHFFFAOYSA-N 1 0 247.258 0.868 20 30 BCEDRO Cc1cc(N(C)C)ccc1C=NNC1=[NH+]CCN1 ZINC000841661450 587970419 /nfs/dbraw/zinc/97/04/19/587970419.db2.gz XRLCYLHGWSABQG-UHFFFAOYSA-N 1 0 245.330 0.944 20 30 BCEDRO C#CCSCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000841831072 587976422 /nfs/dbraw/zinc/97/64/22/587976422.db2.gz ARPZXNAOWCZKHJ-UWVGGRQHSA-N 1 0 241.360 0.484 20 30 BCEDRO C#CCSCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841832617 587976713 /nfs/dbraw/zinc/97/67/13/587976713.db2.gz QZAWMPRFAQLGLI-JTQLQIEISA-N 1 0 241.360 0.389 20 30 BCEDRO C#CCSCCNC(=O)NC[C@H]([NH3+])CC ZINC000841831972 587976812 /nfs/dbraw/zinc/97/68/12/587976812.db2.gz JGHVFLQRTXVSJK-SECBINFHSA-N 1 0 229.349 0.389 20 30 BCEDRO C#CCCCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000841860085 587979074 /nfs/dbraw/zinc/97/90/74/587979074.db2.gz LDCRPIHCJQRYHM-NEPJUHHUSA-N 1 0 235.331 0.793 20 30 BCEDRO C#CCOCCNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000841875184 587979844 /nfs/dbraw/zinc/97/98/44/587979844.db2.gz MJHCCDCZLMKJEK-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])[C@@H]1CCCO1 ZINC000841879221 587979856 /nfs/dbraw/zinc/97/98/56/587979856.db2.gz LVGBLWFZRGOLDT-VLEAKVRGSA-N 1 0 239.319 0.202 20 30 BCEDRO C#C[C@H](NC(=O)NC(C)(C)C[NH3+])[C@@H]1CCCO1 ZINC000841881440 587980350 /nfs/dbraw/zinc/98/03/50/587980350.db2.gz RCESMIUQUCGEDK-UWVGGRQHSA-N 1 0 239.319 0.204 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841885221 587980664 /nfs/dbraw/zinc/98/06/64/587980664.db2.gz HJSPXVQHPHSOIF-WDEREUQCSA-N 1 0 223.320 0.969 20 30 BCEDRO C#CCCCNC(=O)NCC[NH2+]C1CC1 ZINC000841884350 587980878 /nfs/dbraw/zinc/98/08/78/587980878.db2.gz BGAUFVWXYDYEKN-UHFFFAOYSA-N 1 0 209.293 0.451 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841886649 587981269 /nfs/dbraw/zinc/98/12/69/587981269.db2.gz PRUZJYQGOHUOIA-SNVBAGLBSA-N 1 0 209.293 0.451 20 30 BCEDRO C#CCCCNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000841887191 587981343 /nfs/dbraw/zinc/98/13/43/587981343.db2.gz ZPXXEOQGUBVBQW-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C#Cc1ccc(CNC(=O)NCCC[NH3+])cc1 ZINC000841908380 587983390 /nfs/dbraw/zinc/98/33/90/587983390.db2.gz OCWKUXGHBPUXBP-UHFFFAOYSA-N 1 0 231.299 0.816 20 30 BCEDRO C=CCONC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000841913819 587984677 /nfs/dbraw/zinc/98/46/77/587984677.db2.gz VDBINLLSVOHVKT-NSHDSACASA-N 1 0 225.292 0.499 20 30 BCEDRO C=CCONC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000841913232 587984679 /nfs/dbraw/zinc/98/46/79/587984679.db2.gz LDYUXUPYQRYEFT-VIFPVBQESA-N 1 0 213.281 0.497 20 30 BCEDRO C=CCONC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000841913099 587984684 /nfs/dbraw/zinc/98/46/84/587984684.db2.gz IJUBIVRNYZMUBQ-AXFHLTTASA-N 1 0 239.319 0.873 20 30 BCEDRO C=CCONC(=O)N[C@@H](C)CCCC[NH3+] ZINC000841913559 587984724 /nfs/dbraw/zinc/98/47/24/587984724.db2.gz QPHXKQJGQOWOIZ-VIFPVBQESA-N 1 0 215.297 0.921 20 30 BCEDRO C=CCONC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@H]2C1 ZINC000841913100 587984966 /nfs/dbraw/zinc/98/49/66/587984966.db2.gz IJUBIVRNYZMUBQ-DCAQKATOSA-N 1 0 239.319 0.873 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCCC[NH2+]C1CC1 ZINC000841918523 587985290 /nfs/dbraw/zinc/98/52/90/587985290.db2.gz MMCWZTSVGDZQDP-SECBINFHSA-N 1 0 209.293 0.449 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841923143 587985582 /nfs/dbraw/zinc/98/55/82/587985582.db2.gz YAXGXHGGGFJDFE-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000841939101 587985893 /nfs/dbraw/zinc/98/58/93/587985893.db2.gz MIHDBSRJAYEOGA-VHSXEESVSA-N 1 0 209.293 0.449 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000841939100 587986005 /nfs/dbraw/zinc/98/60/05/587986005.db2.gz MIHDBSRJAYEOGA-NXEZZACHSA-N 1 0 209.293 0.449 20 30 BCEDRO C=CCN(C(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000841940620 587986247 /nfs/dbraw/zinc/98/62/47/587986247.db2.gz FTGSREXBXBRJKV-JTQLQIEISA-N 1 0 211.309 0.954 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000841955027 587986688 /nfs/dbraw/zinc/98/66/88/587986688.db2.gz YDODTJOBIDCQCK-UWVGGRQHSA-N 1 0 211.309 0.681 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000841972637 587987195 /nfs/dbraw/zinc/98/71/95/587987195.db2.gz JXQZPFHNJRFNBQ-JQWIXIFHSA-N 1 0 223.320 0.697 20 30 BCEDRO C=C(Cl)CNC(=O)NCC1=CC[NH2+]CC1 ZINC000841972622 587987200 /nfs/dbraw/zinc/98/72/00/587987200.db2.gz CRKLVUXPPIBWBB-UHFFFAOYSA-N 1 0 229.711 0.958 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000841972641 587987335 /nfs/dbraw/zinc/98/73/35/587987335.db2.gz JXQZPFHNJRFNBQ-ZYHUDNBSSA-N 1 0 223.320 0.697 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CCC[NH2+]CC1)C1CC1 ZINC000841976581 587987582 /nfs/dbraw/zinc/98/75/82/587987582.db2.gz CWTFDXQKFGJDPN-LLVKDONJSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841981171 587987614 /nfs/dbraw/zinc/98/76/14/587987614.db2.gz TVVDXQSXAFKQLP-ZJUUUORDSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000841977539 587987642 /nfs/dbraw/zinc/98/76/42/587987642.db2.gz MSGLADRXWGOPLV-ZJUUUORDSA-N 1 0 209.293 0.307 20 30 BCEDRO C#CC[C@@H]1NC(=O)N(CC2([NH+](C)C)CCC2)C1=O ZINC000842241825 588008431 /nfs/dbraw/zinc/00/84/31/588008431.db2.gz ASOJSSJBDDICHH-JTQLQIEISA-N 1 0 249.314 0.414 20 30 BCEDRO Cn1ncnc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000842529087 588033864 /nfs/dbraw/zinc/03/38/64/588033864.db2.gz OIXPUTCXAZEZCH-DTORHVGOSA-N 1 0 247.306 0.009 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CCOC(C)C ZINC000843077074 588077185 /nfs/dbraw/zinc/07/71/85/588077185.db2.gz LHDOLZGZYSQDMW-VXGBXAGGSA-N 1 0 229.320 0.136 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000843080697 588078668 /nfs/dbraw/zinc/07/86/68/588078668.db2.gz ZMYBYDRICHGDPG-GFCCVEGCSA-N 1 0 239.702 0.959 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]CCC(=O)Nc1ccccc1 ZINC000843077085 588079884 /nfs/dbraw/zinc/07/98/84/588079884.db2.gz LRSPBDNBPIUIRH-ZDUSSCGKSA-N 1 0 246.310 0.989 20 30 BCEDRO Cc1ccccc1[C@@H](O)C[NH2+]CC#CCO ZINC000843079948 588080181 /nfs/dbraw/zinc/08/01/81/588080181.db2.gz OGZGPGXNKRMKOC-ZDUSSCGKSA-N 1 0 219.284 0.614 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)CSC ZINC000843101751 588081072 /nfs/dbraw/zinc/08/10/72/588081072.db2.gz QTTIKSMLPSHKCX-NXEZZACHSA-N 1 0 217.334 0.074 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)CCOC(C)C ZINC000843102755 588081517 /nfs/dbraw/zinc/08/15/17/588081517.db2.gz YXYSEKALNPBPGW-QWHCGFSZSA-N 1 0 243.347 0.526 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000843113942 588082482 /nfs/dbraw/zinc/08/24/82/588082482.db2.gz CLPOZQBDFCYFCM-UPJWGTAASA-N 1 0 232.283 0.705 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000843269301 588096382 /nfs/dbraw/zinc/09/63/82/588096382.db2.gz MRGWPOMKVMDIQX-MNOVXSKESA-N 1 0 234.299 0.479 20 30 BCEDRO CON=Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000843291360 588097967 /nfs/dbraw/zinc/09/79/67/588097967.db2.gz JJDSGOYFJWEHTK-GFCCVEGCSA-N 1 0 247.298 0.840 20 30 BCEDRO CON=Cc1ccc(C(=O)NCC2C[NH2+]C2)cc1 ZINC000843453028 588112119 /nfs/dbraw/zinc/11/21/19/588112119.db2.gz MIVZIHWOLHVFRO-UHFFFAOYSA-N 1 0 247.298 0.616 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C/C1CCOCC1 ZINC000843459964 588112302 /nfs/dbraw/zinc/11/23/02/588112302.db2.gz JXCLDYMCPRBARF-HHDBNCKJSA-N 1 0 249.314 0.197 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C\C1CCOCC1 ZINC000843459973 588112497 /nfs/dbraw/zinc/11/24/97/588112497.db2.gz JXCLDYMCPRBARF-VHYYUZIWSA-N 1 0 249.314 0.197 20 30 BCEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)c1ccccn1 ZINC000843461506 588112529 /nfs/dbraw/zinc/11/25/29/588112529.db2.gz VDKOJGDDUPBGPE-UMNHJUIQSA-N 1 0 244.298 0.413 20 30 BCEDRO C#CCCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843808551 588142157 /nfs/dbraw/zinc/14/21/57/588142157.db2.gz PZZKTAGLXYHTGP-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)NCc1ccccc1C[NH2+]C ZINC000844273868 588179133 /nfs/dbraw/zinc/17/91/33/588179133.db2.gz ZCDNWVAOYMSWJQ-UHFFFAOYSA-N 1 0 231.299 0.838 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NCCN1CCOCC1 ZINC000844281654 588180401 /nfs/dbraw/zinc/18/04/01/588180401.db2.gz ONGWTPHKUXSENF-SNVBAGLBSA-N 1 0 243.307 0.124 20 30 BCEDRO C#CCCN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000844337382 588185539 /nfs/dbraw/zinc/18/55/39/588185539.db2.gz DUSWXKFTYADWFE-UHFFFAOYSA-N 1 0 236.359 0.836 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H]3[C@@H](C2)C3(F)F)C1=O ZINC000844463691 588197337 /nfs/dbraw/zinc/19/73/37/588197337.db2.gz SYJZBBMVVCCVLQ-AEJSXWLSSA-N 1 0 242.269 0.970 20 30 BCEDRO C#CCO[C@H](C)C(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845821972 588246534 /nfs/dbraw/zinc/24/65/34/588246534.db2.gz UQPSQWGNPGFAEJ-UTUOFQBUSA-N 1 0 239.315 0.908 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000846184243 588259560 /nfs/dbraw/zinc/25/95/60/588259560.db2.gz YYMNYFIEFSFHBQ-SNVBAGLBSA-N 1 0 223.320 0.779 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C/C1CCCC1 ZINC000846678918 588282264 /nfs/dbraw/zinc/28/22/64/588282264.db2.gz XJUYUWNPHZSSHD-AIIUZBJTSA-N 1 0 233.315 0.961 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C/C1CCCC1 ZINC000846678921 588282321 /nfs/dbraw/zinc/28/23/21/588282321.db2.gz XJUYUWNPHZSSHD-IEVRTODYSA-N 1 0 233.315 0.961 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C\C1CCCC1 ZINC000846678920 588282370 /nfs/dbraw/zinc/28/23/70/588282370.db2.gz XJUYUWNPHZSSHD-GKKDLHFNSA-N 1 0 233.315 0.961 20 30 BCEDRO C[C@H](CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N)n1ccnc1 ZINC000846677490 588282417 /nfs/dbraw/zinc/28/24/17/588282417.db2.gz NEEXNCGNTHROET-MXWKQRLJSA-N 1 0 247.302 0.062 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@H]1CN(CC)C(=O)O1 ZINC000846874272 588294124 /nfs/dbraw/zinc/29/41/24/588294124.db2.gz YAIWBCSPMOOCSH-NSHDSACASA-N 1 0 242.319 0.962 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)COCCOC)C1 ZINC000847020135 588301767 /nfs/dbraw/zinc/30/17/67/588301767.db2.gz WEGWUEYPCGXKMA-QWHCGFSZSA-N 1 0 241.331 0.356 20 30 BCEDRO C#C[C@H]1CCCN(C[C@H](O)C[N@@H+](C)CC)C1 ZINC000847019391 588302247 /nfs/dbraw/zinc/30/22/47/588302247.db2.gz PRQWIKLPXVHIIC-QWHCGFSZSA-N 1 0 224.348 0.644 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000847020928 588302940 /nfs/dbraw/zinc/30/29/40/588302940.db2.gz GNEMLDKPMWDURP-LLVKDONJSA-N 1 0 234.299 0.481 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)NC(C)C)C1 ZINC000847026166 588304089 /nfs/dbraw/zinc/30/40/89/588304089.db2.gz BSHXBCUKEWOTGS-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000847025147 588303620 /nfs/dbraw/zinc/30/36/20/588303620.db2.gz BRLGNPHHKBXHGP-GFCCVEGCSA-N 1 0 236.315 0.190 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000847024804 588303833 /nfs/dbraw/zinc/30/38/33/588303833.db2.gz LKEFNPZMALEVGC-SNVBAGLBSA-N 1 0 230.333 0.010 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)NCCOCC)C1 ZINC000847024510 588303959 /nfs/dbraw/zinc/30/39/59/588303959.db2.gz JQYNBZNJBDXKHP-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CC)[C@@H]1CCCCO1 ZINC000847090792 588306108 /nfs/dbraw/zinc/30/61/08/588306108.db2.gz SKSUBLPUZAWREZ-RYUDHWBXSA-N 1 0 238.331 0.673 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C#CC2CC2)C1 ZINC000848295678 588371073 /nfs/dbraw/zinc/37/10/73/588371073.db2.gz RZTMQCWLJSYZCI-TXEJJXNPSA-N 1 0 220.316 0.856 20 30 BCEDRO C=C(CO)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000848302732 588371615 /nfs/dbraw/zinc/37/16/15/588371615.db2.gz OBCNNLBCTIQGET-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CCCCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848306681 588371910 /nfs/dbraw/zinc/37/19/10/588371910.db2.gz XJLYAFHVYDDQQZ-NWDGAFQWSA-N 1 0 238.331 0.620 20 30 BCEDRO OCCNN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848410511 588380186 /nfs/dbraw/zinc/38/01/86/588380186.db2.gz QAFKRHRFCLZJJV-NSHDSACASA-N 1 0 211.309 0.573 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=NCCCn1ccnc1 ZINC000848418552 588382078 /nfs/dbraw/zinc/38/20/78/588382078.db2.gz NMHHMXIRKNKBBU-NSHDSACASA-N 1 0 235.335 0.800 20 30 BCEDRO N#Cc1ccc2c(c1)CN(C(=O)[C@H]1C[C@H]1[NH3+])C2 ZINC000848435049 588384768 /nfs/dbraw/zinc/38/47/68/588384768.db2.gz PJGVVDZDDRRPHF-NWDGAFQWSA-N 1 0 227.267 0.748 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCN1CCO[C@H](C)C1 ZINC000848999388 588430430 /nfs/dbraw/zinc/43/04/30/588430430.db2.gz AUHKBLGGJPFHSV-LLVKDONJSA-N 1 0 240.351 0.397 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC(=O)NC1CCCC1 ZINC000848999709 588430490 /nfs/dbraw/zinc/43/04/90/588430490.db2.gz HAQAVRUFRBCJQA-UHFFFAOYSA-N 1 0 238.335 0.735 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCN2CCc3ccccc32)N1 ZINC000849000488 588430651 /nfs/dbraw/zinc/43/06/51/588430651.db2.gz WPZJSIKTQKABLX-LLVKDONJSA-N 1 0 244.342 0.986 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCCCCC#N)CCO1 ZINC000849003174 588431177 /nfs/dbraw/zinc/43/11/77/588431177.db2.gz QMDTWJWNMHLDQK-SNVBAGLBSA-N 1 0 224.308 0.925 20 30 BCEDRO C[NH+]=C(NC[C@@](C)(O)C(F)(F)F)NC1CC1 ZINC000849001768 588431416 /nfs/dbraw/zinc/43/14/16/588431416.db2.gz XVCGWECZZIDDEQ-MRVPVSSYSA-N 1 0 239.241 0.627 20 30 BCEDRO CCNC(NCCN1CCOC[C@@H]1C)=[NH+]CC ZINC000849003317 588431431 /nfs/dbraw/zinc/43/14/31/588431431.db2.gz FVTNYBAQGZWGHY-NSHDSACASA-N 1 0 242.367 0.282 20 30 BCEDRO CCNC(NCc1ccc(C(N)=O)nc1)=[NH+]CC ZINC000849012315 588435457 /nfs/dbraw/zinc/43/54/57/588435457.db2.gz XWECLDPOLBOJAE-UHFFFAOYSA-N 1 0 249.318 0.256 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])NCC(=C)C ZINC000849016276 588437187 /nfs/dbraw/zinc/43/71/87/588437187.db2.gz YJGDMDJFTXYUQX-SNVBAGLBSA-N 1 0 211.309 0.861 20 30 BCEDRO Cc1ncc(CCNC2=[NH+]CCN2C)s1 ZINC000849013853 588436043 /nfs/dbraw/zinc/43/60/43/588436043.db2.gz MZIFKMMKOGCIMF-UHFFFAOYSA-N 1 0 224.333 0.885 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849015593 588436825 /nfs/dbraw/zinc/43/68/25/588436825.db2.gz CMXPITUEAGPFIB-MNOVXSKESA-N 1 0 241.335 0.464 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849016241 588437009 /nfs/dbraw/zinc/43/70/09/588437009.db2.gz WQOVFQLWYSUTAW-MNOVXSKESA-N 1 0 241.335 0.416 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nnc(C)s1 ZINC000849016433 588437200 /nfs/dbraw/zinc/43/72/00/588437200.db2.gz BSIJRWKPGPUGGG-UHFFFAOYSA-N 1 0 211.294 0.646 20 30 BCEDRO CCOCCCNC(=[NH2+])NCCCC#N ZINC000849017444 588437274 /nfs/dbraw/zinc/43/72/74/588437274.db2.gz HQDUWULHNPFXGM-UHFFFAOYSA-N 1 0 212.297 0.831 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cn(C)nn1 ZINC000849017634 588437926 /nfs/dbraw/zinc/43/79/26/588437926.db2.gz ZKJGZDXESNYMAU-UHFFFAOYSA-N 1 0 208.269 0.005 20 30 BCEDRO CN(C)C(=[NH+][C@@H]1C[C@@H](O)C1(C)C)N(C)C ZINC000849020375 588438624 /nfs/dbraw/zinc/43/86/24/588438624.db2.gz BLKPDSQJVUODNH-RKDXNWHRSA-N 1 0 213.325 0.625 20 30 BCEDRO CN(C)C(=[NH+]CC(F)(F)CO)N(C)C ZINC000849020026 588438646 /nfs/dbraw/zinc/43/86/46/588438646.db2.gz WCIZRUVKQAMVHN-UHFFFAOYSA-N 1 0 209.240 0.093 20 30 BCEDRO CN1CC[NH+]=C1NCc1ccc(C#N)cn1 ZINC000849020912 588438877 /nfs/dbraw/zinc/43/88/77/588438877.db2.gz VLVBZPURFGUMQM-UHFFFAOYSA-N 1 0 215.260 0.344 20 30 BCEDRO C=CCNC(=[NH2+])NCCOC(F)(F)F ZINC000849021643 588439443 /nfs/dbraw/zinc/43/94/43/588439443.db2.gz VVJIPJNQUFOZIV-UHFFFAOYSA-N 1 0 211.187 0.823 20 30 BCEDRO CN(C)C(=[NH+]C[C@H](CO)[C@@H]1CCOC1)N(C)C ZINC000849024965 588440302 /nfs/dbraw/zinc/44/03/02/588440302.db2.gz HKZUSYPMRGHCCF-GHMZBOCLSA-N 1 0 243.351 0.111 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCC2(C#N)CC2)CCO1 ZINC000849026103 588440680 /nfs/dbraw/zinc/44/06/80/588440680.db2.gz VMRLUYBUBOWRJY-VIFPVBQESA-N 1 0 222.292 0.535 20 30 BCEDRO C[NH+]=C(NC[C@H](CO)c1cccnc1)NC1CC1 ZINC000849028961 588441833 /nfs/dbraw/zinc/44/18/33/588441833.db2.gz RLIKYBAWBSCCST-LLVKDONJSA-N 1 0 248.330 0.485 20 30 BCEDRO CNC(NCCCC1CCOCC1)=[NH+]C ZINC000849032691 588443598 /nfs/dbraw/zinc/44/35/98/588443598.db2.gz QNKKRARJOJRJAU-UHFFFAOYSA-N 1 0 213.325 0.988 20 30 BCEDRO C[NH+]=C(NCc1nnc(C(C)C)[nH]1)NC1CC1 ZINC000849034629 588444426 /nfs/dbraw/zinc/44/44/26/588444426.db2.gz AQNCNNACLDJEFR-UHFFFAOYSA-N 1 0 236.323 0.756 20 30 BCEDRO CCNC(NCCOCC(=O)OCC)=[NH+]CC ZINC000849036761 588445676 /nfs/dbraw/zinc/44/56/76/588445676.db2.gz WOYAVUHGXDXXAH-UHFFFAOYSA-N 1 0 245.323 0.141 20 30 BCEDRO C#CCOc1ccc(CNC(=[NH2+])NC)cc1 ZINC000849037379 588445895 /nfs/dbraw/zinc/44/58/95/588445895.db2.gz CXNQZYDUJRUKGK-UHFFFAOYSA-N 1 0 217.272 0.942 20 30 BCEDRO CCCc1ncc(CNC(NC)=[NH+]C)o1 ZINC000849038474 588446514 /nfs/dbraw/zinc/44/65/14/588446514.db2.gz PVISSYHTOKMMEY-UHFFFAOYSA-N 1 0 210.281 0.922 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@]1(C)CCC(=O)N1 ZINC000849039083 588446618 /nfs/dbraw/zinc/44/66/18/588446618.db2.gz HOCFTOICPNDXJZ-NSHDSACASA-N 1 0 224.308 0.345 20 30 BCEDRO CN(C)C(=[NH+]C[C@]1(C)CCC(=O)N1)N(C)C ZINC000849039414 588447086 /nfs/dbraw/zinc/44/70/86/588447086.db2.gz XMDSUFUVURHUKL-NSHDSACASA-N 1 0 226.324 0.134 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CC[C@H](C)O1)NC1CC1 ZINC000849039534 588447137 /nfs/dbraw/zinc/44/71/37/588447137.db2.gz DNNCWCQMCJFRMO-WPRPVWTQSA-N 1 0 211.309 0.881 20 30 BCEDRO Cc1ncc(C[NH+]=C(N(C)C)N(C)C)o1 ZINC000849040763 588447442 /nfs/dbraw/zinc/44/74/42/588447442.db2.gz RQDHNIYNDRMVJS-UHFFFAOYSA-N 1 0 210.281 0.962 20 30 BCEDRO C[NH+]=C(NC[C@H](C)CCOC)NC1CC1 ZINC000849041911 588448242 /nfs/dbraw/zinc/44/82/42/588448242.db2.gz PLRIHDPHMFCDMS-SECBINFHSA-N 1 0 213.325 0.986 20 30 BCEDRO CNC(NCc1cc(C)nc(C)c1)=[NH+]C ZINC000849043696 588448832 /nfs/dbraw/zinc/44/88/32/588448832.db2.gz QPXAWZJANYEITN-UHFFFAOYSA-N 1 0 206.293 0.993 20 30 BCEDRO CNC(NCc1nnc(C2CC2)s1)=[NH+]C ZINC000849042809 588448918 /nfs/dbraw/zinc/44/89/18/588448918.db2.gz CZBSFKXIZWGJHH-UHFFFAOYSA-N 1 0 225.321 0.710 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])NCCOC ZINC000849044446 588449190 /nfs/dbraw/zinc/44/91/90/588449190.db2.gz PNCGSRSCRHHHTO-UWVGGRQHSA-N 1 0 227.308 0.338 20 30 BCEDRO C[NH+]=C(NCCCc1ncn(C)n1)NC1CC1 ZINC000849045295 588449592 /nfs/dbraw/zinc/44/95/92/588449592.db2.gz IGXXOWSMHOTKJZ-UHFFFAOYSA-N 1 0 236.323 0.075 20 30 BCEDRO COCC1(CCNC2=[NH+]C[C@H](C)N2)CC1 ZINC000849045903 588449811 /nfs/dbraw/zinc/44/98/11/588449811.db2.gz RIAZONGSNKUGDR-VIFPVBQESA-N 1 0 211.309 0.740 20 30 BCEDRO C=CCNC(=[NH2+])NCCCc1ncn(C)n1 ZINC000849045849 588450023 /nfs/dbraw/zinc/45/00/23/588450023.db2.gz PQGSYHQIAYPHRR-UHFFFAOYSA-N 1 0 222.296 0.048 20 30 BCEDRO CC[C@H](C[NH+]=C(N(C)C)N(C)C)C(=O)OC ZINC000849046935 588450377 /nfs/dbraw/zinc/45/03/77/588450377.db2.gz ZCGVXDIVHSAQAZ-SECBINFHSA-N 1 0 229.324 0.665 20 30 BCEDRO CN(C)C(=[NH+]CC[C@@]1(O)CCOC1)N(C)C ZINC000849047547 588450548 /nfs/dbraw/zinc/45/05/48/588450548.db2.gz NBONPETTZQXLDB-LLVKDONJSA-N 1 0 229.324 0.007 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CC(=O)N(CC)C1 ZINC000849047928 588450782 /nfs/dbraw/zinc/45/07/82/588450782.db2.gz ZXUHKDBVLCMDFN-SECBINFHSA-N 1 0 224.308 0.155 20 30 BCEDRO CN(C)C(=[NH+]CC[C@]1(O)CCCOC1)N(C)C ZINC000849048468 588451022 /nfs/dbraw/zinc/45/10/22/588451022.db2.gz HRQIQCFTMMNVPC-GFCCVEGCSA-N 1 0 243.351 0.397 20 30 BCEDRO COCC1(C[NH+]=C(N(C)C)N(C)C)CC1 ZINC000849048389 588451146 /nfs/dbraw/zinc/45/11/46/588451146.db2.gz CJOZYGCVZZILRA-UHFFFAOYSA-N 1 0 213.325 0.892 20 30 BCEDRO CN1CC[NH+]=C1NCCC1(CO)CCC1 ZINC000849048529 588451186 /nfs/dbraw/zinc/45/11/86/588451186.db2.gz IGUSLGWPGVWAGW-UHFFFAOYSA-N 1 0 211.309 0.430 20 30 BCEDRO CN(C)C(=[NH+][C@@H](CO)CCF)N(C)C ZINC000849048859 588451576 /nfs/dbraw/zinc/45/15/76/588451576.db2.gz MELPGJXMZWXHLH-MRVPVSSYSA-N 1 0 205.277 0.186 20 30 BCEDRO C[C@H]([NH3+])c1cn(CC2(CC#N)CC2)nn1 ZINC000849145379 588455354 /nfs/dbraw/zinc/45/53/54/588455354.db2.gz ZHNZPBFRCDCYMI-QMMMGPOBSA-N 1 0 205.265 0.992 20 30 BCEDRO C=C[C@](C)(O)c1cn([C@H]2CC[NH2+]C2)nn1 ZINC000849155909 588456560 /nfs/dbraw/zinc/45/65/60/588456560.db2.gz QTVCCXUZFRRRBB-WPRPVWTQSA-N 1 0 208.265 0.206 20 30 BCEDRO C=C[C@](C)(O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000849155352 588456739 /nfs/dbraw/zinc/45/67/39/588456739.db2.gz AQYFYAGUENLKDT-ONGXEEELSA-N 1 0 222.292 0.596 20 30 BCEDRO C#CCNC(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000849227813 588463899 /nfs/dbraw/zinc/46/38/99/588463899.db2.gz SESLTQWPCLCTHF-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO C=CCNC(=S)NCC[C@H](C)[NH+](C)C ZINC000849279631 588469218 /nfs/dbraw/zinc/46/92/18/588469218.db2.gz BZJUXVSBBHTXSX-VIFPVBQESA-N 1 0 215.366 0.977 20 30 BCEDRO C=CCNC(=S)NCC[C@@H](C)[NH+](C)C ZINC000849279630 588469225 /nfs/dbraw/zinc/46/92/25/588469225.db2.gz BZJUXVSBBHTXSX-SECBINFHSA-N 1 0 215.366 0.977 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCO[C@H]1CC1(F)F ZINC000849326098 588472925 /nfs/dbraw/zinc/47/29/25/588472925.db2.gz CMZHPCHCMKIYTG-VIFPVBQESA-N 1 0 246.257 0.140 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1COC2(CCC2)C1 ZINC000850431040 588545897 /nfs/dbraw/zinc/54/58/97/588545897.db2.gz SDKXGYVWFAWMEG-LLVKDONJSA-N 1 0 236.315 0.427 20 30 BCEDRO COC(=O)N(C)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000850548337 588559510 /nfs/dbraw/zinc/55/95/10/588559510.db2.gz OONNJMDFFOYMMO-NXEZZACHSA-N 1 0 225.292 0.966 20 30 BCEDRO COc1cc(C(=O)N(C)CCC[NH3+])ccc1C#N ZINC000851631671 588611940 /nfs/dbraw/zinc/61/19/40/588611940.db2.gz FHTFYZKKJJNENE-UHFFFAOYSA-N 1 0 247.298 0.988 20 30 BCEDRO C#CCCCNC(=O)NCC1([NH3+])CCCC1 ZINC000851658428 588613486 /nfs/dbraw/zinc/61/34/86/588613486.db2.gz CCZQHIORIYTTMP-UHFFFAOYSA-N 1 0 223.320 0.971 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H](C)C[NH2+]C)[C@H]1CCCO1 ZINC000851659871 588613516 /nfs/dbraw/zinc/61/35/16/588613516.db2.gz WRMAXEIDLRXTGT-GARJFASQSA-N 1 0 239.319 0.074 20 30 BCEDRO C=CCOCCNC(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000851677339 588614572 /nfs/dbraw/zinc/61/45/72/588614572.db2.gz VAPGEYLUOIWQPB-NSHDSACASA-N 1 0 241.335 0.569 20 30 BCEDRO N#CC1CCN(C(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000851677716 588614598 /nfs/dbraw/zinc/61/45/98/588614598.db2.gz UMCWMHBIWFYXSG-UHFFFAOYSA-N 1 0 248.330 0.684 20 30 BCEDRO C#CCOCC[N@@H+](CC)CC(=O)NCC ZINC000851715891 588616021 /nfs/dbraw/zinc/61/60/21/588616021.db2.gz FDDPNCDICOITFQ-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C#CCOCC[NH+]1CCC(C(=O)NC)CC1 ZINC000851717386 588616033 /nfs/dbraw/zinc/61/60/33/588616033.db2.gz KQZBQFTYMPYNPF-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CCOCC#C)CC1 ZINC000851739708 588621179 /nfs/dbraw/zinc/62/11/79/588621179.db2.gz FMAXEPZWPOOJDC-UHFFFAOYSA-N 1 0 248.326 0.098 20 30 BCEDRO C#CC[N@@H+](CC#CC)C[C@H]1CNC(=O)C1 ZINC000851785316 588628435 /nfs/dbraw/zinc/62/84/35/588628435.db2.gz PMJRHPBAPHDWPF-LLVKDONJSA-N 1 0 204.273 0.081 20 30 BCEDRO C#CC[NH+](CC#C)C[C@H](OC)[C@@H]1CCOC1 ZINC000851793676 588629456 /nfs/dbraw/zinc/62/94/56/588629456.db2.gz GWJLNMGISGVHCV-OLZOCXBDSA-N 1 0 221.300 0.606 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000851799888 588630438 /nfs/dbraw/zinc/63/04/38/588630438.db2.gz UQHVABQLHDXQMP-ZDUSSCGKSA-N 1 0 247.342 0.934 20 30 BCEDRO C#CCOCC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000851806581 588631343 /nfs/dbraw/zinc/63/13/43/588631343.db2.gz RUGBPZCQOFGWQG-UHFFFAOYSA-N 1 0 234.303 0.634 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000851811159 588632651 /nfs/dbraw/zinc/63/26/51/588632651.db2.gz SBGBBTRKSSWJOA-GFCCVEGCSA-N 1 0 225.288 0.521 20 30 BCEDRO C#CCOCC[N@@H+]1CCOC2(CCOCC2)C1 ZINC000851816470 588633185 /nfs/dbraw/zinc/63/31/85/588633185.db2.gz HHJFTOSHFWCOEO-UHFFFAOYSA-N 1 0 239.315 0.518 20 30 BCEDRO C#CCOCC[N@@H+](CCO)Cc1cccnc1 ZINC000851814402 588633198 /nfs/dbraw/zinc/63/31/98/588633198.db2.gz OOAWATGALXXAKD-UHFFFAOYSA-N 1 0 234.299 0.526 20 30 BCEDRO C#CCOCC[NH2+]C1(CO)CCCCC1 ZINC000851857845 588635757 /nfs/dbraw/zinc/63/57/57/588635757.db2.gz AGARQBDBQGBKBQ-UHFFFAOYSA-N 1 0 211.305 0.921 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000851862104 588635923 /nfs/dbraw/zinc/63/59/23/588635923.db2.gz UMMCXWMHNIETSQ-OLZOCXBDSA-N 1 0 223.316 0.995 20 30 BCEDRO C#CCOCC[N@@H+]1CCOCC12CCC2 ZINC000851860499 588636026 /nfs/dbraw/zinc/63/60/26/588636026.db2.gz AVELXVQTTOVGKN-UHFFFAOYSA-N 1 0 209.289 0.891 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H]1C(C)(C)O ZINC000851862331 588636336 /nfs/dbraw/zinc/63/63/36/588636336.db2.gz XMEVADFXTDTBFE-NSHDSACASA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCOCCN1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000851878338 588639180 /nfs/dbraw/zinc/63/91/80/588639180.db2.gz BIKOHQQDLIXKPC-NWDGAFQWSA-N 1 0 242.388 0.614 20 30 BCEDRO C#CCOCC[N@@H+]1CCN(C)[C@H](C)[C@H]1C ZINC000851889840 588640922 /nfs/dbraw/zinc/64/09/22/588640922.db2.gz PQZPMKMRESDULT-VXGBXAGGSA-N 1 0 210.321 0.661 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851909360 588642292 /nfs/dbraw/zinc/64/22/92/588642292.db2.gz CJBISXXXAIWYJD-CQSZACIVSA-N 1 0 248.326 0.867 20 30 BCEDRO C=C(Cl)CN[C@@H](CO)c1cnn(C)c1 ZINC000851933688 588644996 /nfs/dbraw/zinc/64/49/96/588644996.db2.gz TWVTXLZYHBWNTH-VIFPVBQESA-N 1 0 215.684 0.796 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)c1ccccn1)[C@H]1CCCO1 ZINC000851949597 588646890 /nfs/dbraw/zinc/64/68/90/588646890.db2.gz GPOBDZODDTVJPW-FPMFFAJLSA-N 1 0 246.310 0.885 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](COC)OC)[C@H]1CCCO1 ZINC000851951095 588647170 /nfs/dbraw/zinc/64/71/70/588647170.db2.gz UUAMXFKKSNLJPO-GRYCIOLGSA-N 1 0 227.304 0.418 20 30 BCEDRO C#CCOCC[N@@H+](CC)C[C@H](O)C(F)(F)F ZINC000851955328 588647388 /nfs/dbraw/zinc/64/73/88/588647388.db2.gz FTCDEVSDQIUIEA-VIFPVBQESA-N 1 0 239.237 0.881 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@]1(CC)CO ZINC000851972083 588649490 /nfs/dbraw/zinc/64/94/90/588649490.db2.gz VTMIUDFVKFIBMG-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CC[N@H+](C)CCn1cnc(Br)n1 ZINC000851978542 588651049 /nfs/dbraw/zinc/65/10/49/588651049.db2.gz NRGRUJDFIPJOPK-UHFFFAOYSA-N 1 0 243.108 0.606 20 30 BCEDRO C#CCOCC[N@@H+]1CCc2cc[nH]c(=O)c2C1 ZINC000851985705 588651974 /nfs/dbraw/zinc/65/19/74/588651974.db2.gz ZMHHJHQIULBKSH-UHFFFAOYSA-N 1 0 232.283 0.795 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H](CO)COC(C)C ZINC000851986654 588651977 /nfs/dbraw/zinc/65/19/77/588651977.db2.gz DANPSLNWXISWSR-LBPRGKRZSA-N 1 0 229.320 0.354 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851989962 588652271 /nfs/dbraw/zinc/65/22/71/588652271.db2.gz MILLVKYVISPJDD-SMDDNHRTSA-N 1 0 246.310 0.313 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](OC)[C@H]1CCOC1 ZINC000851990793 588653018 /nfs/dbraw/zinc/65/30/18/588653018.db2.gz WJUSCBVWVSLIGW-SDDRHHMPSA-N 1 0 211.305 0.991 20 30 BCEDRO C#CCOCC[NH2+][C@@H](c1nncn1C)C(C)C ZINC000852040077 588657036 /nfs/dbraw/zinc/65/70/36/588657036.db2.gz QIYSIJIAWVRRPX-LLVKDONJSA-N 1 0 236.319 0.752 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000852076301 588658846 /nfs/dbraw/zinc/65/88/46/588658846.db2.gz QKPIEHYRBGXDER-RYUDHWBXSA-N 1 0 208.305 0.272 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000852103371 588661372 /nfs/dbraw/zinc/66/13/72/588661372.db2.gz FWZNYRKKQHTXKC-UWVGGRQHSA-N 1 0 217.334 0.811 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NC(=O)NCC=C ZINC000852096477 588661729 /nfs/dbraw/zinc/66/17/29/588661729.db2.gz CEJJSDBTJLEFIU-LBPRGKRZSA-N 1 0 237.303 0.390 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCC(=O)N1CCOCC1 ZINC000852099572 588662591 /nfs/dbraw/zinc/66/25/91/588662591.db2.gz MSOYTWZLXSSJMQ-ZDUSSCGKSA-N 1 0 238.331 0.627 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@H]1CCC(=O)NC1=O ZINC000852100773 588662611 /nfs/dbraw/zinc/66/26/11/588662611.db2.gz IVRZQYNMFDZHTL-GZMMTYOYSA-N 1 0 208.261 0.183 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCC(=O)NC(=O)NC ZINC000852099291 588662661 /nfs/dbraw/zinc/66/26/61/588662661.db2.gz JEBWIBAEFWWCAG-NSHDSACASA-N 1 0 225.292 0.224 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCCS(N)(=O)=O ZINC000852102931 588663332 /nfs/dbraw/zinc/66/33/32/588663332.db2.gz TWMJZMDLCFYNFP-VIFPVBQESA-N 1 0 218.322 0.057 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCC(=O)N(C)OC ZINC000852103903 588663732 /nfs/dbraw/zinc/66/37/32/588663732.db2.gz VAHKUGRGSBBRIY-LLVKDONJSA-N 1 0 212.293 0.788 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](CO)[C@@H]1CC ZINC000852113162 588664922 /nfs/dbraw/zinc/66/49/22/588664922.db2.gz VNXCSIJDPUYNGI-NEPJUHHUSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@](O)(C(F)F)C1 ZINC000852121332 588665134 /nfs/dbraw/zinc/66/51/34/588665134.db2.gz OFMMXVGNKVKGSW-JTQLQIEISA-N 1 0 219.231 0.338 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](CCCO)C1 ZINC000852149893 588667462 /nfs/dbraw/zinc/66/74/62/588667462.db2.gz WVUILIBEGMDDMU-GFCCVEGCSA-N 1 0 211.305 0.731 20 30 BCEDRO C#CCOCC[NH2+]C(C)(C)C(=O)NCC ZINC000852156576 588667916 /nfs/dbraw/zinc/66/79/16/588667916.db2.gz ULWLYWYWVLJKTN-UHFFFAOYSA-N 1 0 212.293 0.141 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000852171399 588669226 /nfs/dbraw/zinc/66/92/26/588669226.db2.gz FHTVFJRTJJECPZ-LLVKDONJSA-N 1 0 224.304 0.046 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000852178338 588669625 /nfs/dbraw/zinc/66/96/25/588669625.db2.gz TXQKVHKOKKXPSY-CYBMUJFWSA-N 1 0 239.315 0.911 20 30 BCEDRO C#CCOCCN1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000852181189 588670198 /nfs/dbraw/zinc/67/01/98/588670198.db2.gz DFELVZOYQDJYDC-OLZOCXBDSA-N 1 0 240.347 0.023 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H]2CON(CC)C2=O)C1 ZINC000852206498 588671695 /nfs/dbraw/zinc/67/16/95/588671695.db2.gz KWIDNCLIPCYRDJ-VXGBXAGGSA-N 1 0 236.315 0.884 20 30 BCEDRO C#CCOCC[N@H+]1CCCCC[C@@H]1CO ZINC000852217071 588673728 /nfs/dbraw/zinc/67/37/28/588673728.db2.gz UAONTSAXXZUHBK-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCOCC[N@@H+](CCOCCO)C1CCC1 ZINC000852289605 588676593 /nfs/dbraw/zinc/67/65/93/588676593.db2.gz WTEAGUZOIYHKLK-UHFFFAOYSA-N 1 0 241.331 0.500 20 30 BCEDRO CC#CC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296840 588676868 /nfs/dbraw/zinc/67/68/68/588676868.db2.gz BSGACUTXIHICMG-UHFFFAOYSA-N 1 0 204.273 0.880 20 30 BCEDRO COCC#CC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296729 588677223 /nfs/dbraw/zinc/67/72/23/588677223.db2.gz AIONDRNZSPYLHV-UHFFFAOYSA-N 1 0 234.299 0.506 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852313719 588677998 /nfs/dbraw/zinc/67/79/98/588677998.db2.gz LXITUFJQDCFFIJ-RYUDHWBXSA-N 1 0 249.318 0.529 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852313720 588678061 /nfs/dbraw/zinc/67/80/61/588678061.db2.gz LXITUFJQDCFFIJ-VXGBXAGGSA-N 1 0 249.318 0.529 20 30 BCEDRO C=CCN(CC(=O)N(C)OC)[C@@H](C)COC ZINC000852356681 588679118 /nfs/dbraw/zinc/67/91/18/588679118.db2.gz LHPJNNMNRQGURH-JTQLQIEISA-N 1 0 230.308 0.529 20 30 BCEDRO C=CC[C@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000852411814 588681347 /nfs/dbraw/zinc/68/13/47/588681347.db2.gz VOUCIUODZOSIBK-JTQLQIEISA-N 1 0 232.349 0.563 20 30 BCEDRO C#CCNC(=O)CC[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000852499948 588685783 /nfs/dbraw/zinc/68/57/83/588685783.db2.gz CSDUZZAPMMEMLB-GHMZBOCLSA-N 1 0 238.331 0.075 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CC1=CCCOC1 ZINC000852515601 588687408 /nfs/dbraw/zinc/68/74/08/588687408.db2.gz AUXLTVHBZWJQDN-UHFFFAOYSA-N 1 0 236.315 0.404 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000852533441 588688042 /nfs/dbraw/zinc/68/80/42/588688042.db2.gz ZARCXEDYMHEJSU-GVXVVHGQSA-N 1 0 236.315 0.093 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000852533437 588688230 /nfs/dbraw/zinc/68/82/30/588688230.db2.gz ZARCXEDYMHEJSU-DMDPSCGWSA-N 1 0 236.315 0.093 20 30 BCEDRO C[C@H](C#N)OCC[N@H+]1CCC[C@@H]1[C@H](C)O ZINC000852559061 588690384 /nfs/dbraw/zinc/69/03/84/588690384.db2.gz NWCGKEHLPMQIIV-OUAUKWLOSA-N 1 0 212.293 0.760 20 30 BCEDRO CCN(C[C@@H](O)C[NH+]1CCCC1)[C@@H](C)C#N ZINC000852641128 588693866 /nfs/dbraw/zinc/69/38/66/588693866.db2.gz MRTXOEWGRZPHCT-RYUDHWBXSA-N 1 0 225.336 0.677 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852664642 588694529 /nfs/dbraw/zinc/69/45/29/588694529.db2.gz JZEIUUWQBYGVRW-NEPJUHHUSA-N 1 0 209.289 0.605 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000852705562 588696954 /nfs/dbraw/zinc/69/69/54/588696954.db2.gz YIGUXHVEDSLASP-NWDGAFQWSA-N 1 0 211.305 0.587 20 30 BCEDRO C#CC[NH2+]C1(CC(=O)OCC)CCOCC1 ZINC000852727425 588697940 /nfs/dbraw/zinc/69/79/40/588697940.db2.gz KCOPGRDZFNNBAT-UHFFFAOYSA-N 1 0 225.288 0.712 20 30 BCEDRO C#CCC[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852720787 588698006 /nfs/dbraw/zinc/69/80/06/588698006.db2.gz UWYNPFZPPUODHC-UHFFFAOYSA-N 1 0 222.288 0.926 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@H]1COCCO1 ZINC000852748868 588699765 /nfs/dbraw/zinc/69/97/65/588699765.db2.gz JEDDPCCHNYRWOP-LBPRGKRZSA-N 1 0 227.304 0.374 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCn1ccccc1=O ZINC000852751178 588700154 /nfs/dbraw/zinc/70/01/54/588700154.db2.gz RSYDWGNUDKKQQN-UHFFFAOYSA-N 1 0 248.326 0.820 20 30 BCEDRO C#CCOCC[NH+]1CCC(NC(=O)OC)CC1 ZINC000852763749 588701062 /nfs/dbraw/zinc/70/10/62/588701062.db2.gz XPZMJRJLWLATDP-UHFFFAOYSA-N 1 0 240.303 0.457 20 30 BCEDRO CC(C)N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852799268 588703935 /nfs/dbraw/zinc/70/39/35/588703935.db2.gz CPEVMNIEDQCXCP-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO CSCCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852808495 588704955 /nfs/dbraw/zinc/70/49/55/588704955.db2.gz ZLIAGIYZSYTIFK-UHFFFAOYSA-N 1 0 240.372 0.859 20 30 BCEDRO C[C@H]1C[C@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852812678 588705043 /nfs/dbraw/zinc/70/50/43/588705043.db2.gz DQIOGAUAJGAPEX-JQWIXIFHSA-N 1 0 220.316 0.762 20 30 BCEDRO CC[C@@H](O)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852828606 588706246 /nfs/dbraw/zinc/70/62/46/588706246.db2.gz MDOUGRLXXNQBQL-GFCCVEGCSA-N 1 0 238.331 0.267 20 30 BCEDRO C=C[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852841443 588707421 /nfs/dbraw/zinc/70/74/21/588707421.db2.gz KKJMMHBBRLHPPD-JTQLQIEISA-N 1 0 206.289 0.680 20 30 BCEDRO CSC[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852843820 588707558 /nfs/dbraw/zinc/70/75/58/588707558.db2.gz HXCSIBHVYGFLQO-JTQLQIEISA-N 1 0 240.372 0.857 20 30 BCEDRO CSC[C@@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852843821 588707765 /nfs/dbraw/zinc/70/77/65/588707765.db2.gz HXCSIBHVYGFLQO-SNVBAGLBSA-N 1 0 240.372 0.857 20 30 BCEDRO Cc1c(NC(=O)C#CC2CC[NH2+]CC2)cnn1C ZINC000852845283 588708094 /nfs/dbraw/zinc/70/80/94/588708094.db2.gz UCPZZJMGEPTYCI-UHFFFAOYSA-N 1 0 246.314 0.670 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CC12CC2 ZINC000852892332 588711793 /nfs/dbraw/zinc/71/17/93/588711793.db2.gz DPEBNLPPNYWPOQ-LLVKDONJSA-N 1 0 218.300 0.658 20 30 BCEDRO C=CCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000852902878 588712485 /nfs/dbraw/zinc/71/24/85/588712485.db2.gz PIUFRXVYMNYDLR-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCC1(NC(=O)C[NH2+]CC)CCOCC1 ZINC000852907025 588712952 /nfs/dbraw/zinc/71/29/52/588712952.db2.gz BPOCZJVSSAMBJV-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCOCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000852915481 588713191 /nfs/dbraw/zinc/71/31/91/588713191.db2.gz HCHCGNZKQJRPQC-LLVKDONJSA-N 1 0 242.319 0.074 20 30 BCEDRO C#CCN1CCC[C@@H]1COC(=O)c1cccnn1 ZINC000860529843 589104566 /nfs/dbraw/zinc/10/45/66/589104566.db2.gz MMBPBEQTRGNQBJ-LLVKDONJSA-N 1 0 245.282 0.731 20 30 BCEDRO C=CCSCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861571139 589168315 /nfs/dbraw/zinc/16/83/15/589168315.db2.gz VXTKWGWLGYFGRH-VIFPVBQESA-N 1 0 231.365 0.894 20 30 BCEDRO C#C[C@H](NC(=O)N(CC)CC[NH3+])[C@@H]1CCCO1 ZINC000861619381 589170549 /nfs/dbraw/zinc/17/05/49/589170549.db2.gz ZFBKCTSJKYHSBU-QWRGUYRKSA-N 1 0 239.319 0.157 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)NCC(C)(C)C#N ZINC000861619583 589170648 /nfs/dbraw/zinc/17/06/48/589170648.db2.gz KHWMJNLHZRLBDN-QMMMGPOBSA-N 1 0 212.297 0.525 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861624450 589170897 /nfs/dbraw/zinc/17/08/97/589170897.db2.gz SYGFKZMWRJAJOF-WDEREUQCSA-N 1 0 223.320 0.840 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)NCC1(C#N)CC1 ZINC000861629492 589171044 /nfs/dbraw/zinc/17/10/44/589171044.db2.gz RTEBOBXPXMHKIB-MRVPVSSYSA-N 1 0 210.281 0.279 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)C[C@H](C)[NH3+])C(C)C ZINC000861633608 589171403 /nfs/dbraw/zinc/17/14/03/589171403.db2.gz QZYVKYXHVBPKPG-VHSXEESVSA-N 1 0 211.309 0.633 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861691539 589174719 /nfs/dbraw/zinc/17/47/19/589174719.db2.gz WPZAFAZWPYPARR-VWYCJHECSA-N 1 0 223.320 0.790 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCCOCCC[NH3+] ZINC000861692757 589174863 /nfs/dbraw/zinc/17/48/63/589174863.db2.gz JHLHNILKXCFRGV-NSHDSACASA-N 1 0 241.335 0.453 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861720191 589175869 /nfs/dbraw/zinc/17/58/69/589175869.db2.gz VFWNNCZZHWEZLG-STQMWFEESA-N 1 0 248.326 0.067 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)COCC(F)F ZINC000861838100 589178885 /nfs/dbraw/zinc/17/88/85/589178885.db2.gz QKAHIMRFXLYCSI-UHFFFAOYSA-N 1 0 248.273 0.339 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861912298 589183343 /nfs/dbraw/zinc/18/33/43/589183343.db2.gz ORJFTKJWNZVBOY-NNYUYHANSA-N 1 0 236.315 0.043 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C1CC(CC(=O)OC)C1 ZINC000862550230 589220812 /nfs/dbraw/zinc/22/08/12/589220812.db2.gz KGOJDMCMRJTAQP-MOENNCHZSA-N 1 0 239.315 0.956 20 30 BCEDRO C#CC[C@@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000862566160 589223395 /nfs/dbraw/zinc/22/33/95/589223395.db2.gz JAMBRPGHPNYDQQ-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC2(C1)CCCO2 ZINC000862821185 589243566 /nfs/dbraw/zinc/24/35/66/589243566.db2.gz SACNETWCRKHZKV-UHFFFAOYSA-N 1 0 224.304 0.496 20 30 BCEDRO CON=CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863029163 589252693 /nfs/dbraw/zinc/25/26/93/589252693.db2.gz AHZQYMSYBXQSQY-NSHDSACASA-N 1 0 239.319 0.752 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccns1 ZINC000863105653 589256741 /nfs/dbraw/zinc/25/67/41/589256741.db2.gz WYMWZPZPGRSNMT-LURJTMIESA-N 1 0 223.305 0.804 20 30 BCEDRO CCC(=[NH+]NCC(N)=O)c1ccc(N)cc1 ZINC000863108423 589257565 /nfs/dbraw/zinc/25/75/65/589257565.db2.gz RFFKMQXKJNHSJL-UHFFFAOYSA-N 1 0 220.276 0.458 20 30 BCEDRO Cc1cnccc1N=NC1CC[NH+](CCO)CC1 ZINC000863158041 589263911 /nfs/dbraw/zinc/26/39/11/589263911.db2.gz MNTSMSAOACQYFU-UHFFFAOYSA-N 1 0 248.330 0.668 20 30 BCEDRO CC(=NNc1cc[nH+]c(C)c1)c1cn(C)nn1 ZINC000863161076 589265156 /nfs/dbraw/zinc/26/51/56/589265156.db2.gz WTAZZKGXGZSTAS-UHFFFAOYSA-N 1 0 230.275 0.777 20 30 BCEDRO CCn1ncnc1C=NNc1cc[nH+]c(C)c1 ZINC000863160468 589265161 /nfs/dbraw/zinc/26/51/61/589265161.db2.gz GJILFYCSMRATLF-UHFFFAOYSA-N 1 0 230.275 0.869 20 30 BCEDRO OCC[NH+]1CCC(=Nn2cccn2)CC1 ZINC000863163474 589266370 /nfs/dbraw/zinc/26/63/70/589266370.db2.gz FEBSQXJEYFYJCB-UHFFFAOYSA-N 1 0 208.265 0.175 20 30 BCEDRO O=C1CN=C(NN=C2CCC[N@@H+]3CCCC[C@H]23)N1 ZINC000863176657 589268468 /nfs/dbraw/zinc/26/84/68/589268468.db2.gz YYAQYWAVHNEYND-SNVBAGLBSA-N 1 0 249.318 0.066 20 30 BCEDRO O=c1ccn(N=C2CC[N@@H+]3CCC[C@@H]23)c(=O)[nH]1 ZINC000863184834 589269665 /nfs/dbraw/zinc/26/96/65/589269665.db2.gz LJIQBMPPBBGXQY-VIFPVBQESA-N 1 0 234.259 0.021 20 30 BCEDRO C#CC[C@@H]1CCN(C(=S)NCC[NH+](C)C)C1 ZINC000863207553 589271219 /nfs/dbraw/zinc/27/12/19/589271219.db2.gz ZDIVSHCTGSEROL-LLVKDONJSA-N 1 0 239.388 0.768 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CO[C@@H](C2CC2)C1 ZINC000863285253 589276390 /nfs/dbraw/zinc/27/63/90/589276390.db2.gz POHGIMCROQMDNY-VXGBXAGGSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CO[C@H](C2CC2)C1 ZINC000863285252 589276413 /nfs/dbraw/zinc/27/64/13/589276413.db2.gz POHGIMCROQMDNY-RYUDHWBXSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863557132 589299008 /nfs/dbraw/zinc/29/90/08/589299008.db2.gz JQKRYSZEHZHPGC-CYBMUJFWSA-N 1 0 249.358 0.586 20 30 BCEDRO C=CCN1CC[C@@H](N(C)C[C@@H](C)[NH3+])C1=O ZINC000863567331 589299501 /nfs/dbraw/zinc/29/95/01/589299501.db2.gz CJYYDUYMQVEVNF-NXEZZACHSA-N 1 0 211.309 0.052 20 30 BCEDRO C#CCOc1ccc(C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000863584899 589301691 /nfs/dbraw/zinc/30/16/91/589301691.db2.gz GARJKZHVDWJWPD-JTQLQIEISA-N 1 0 232.283 0.776 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)CCOC(C)C ZINC000863589902 589302748 /nfs/dbraw/zinc/30/27/48/589302748.db2.gz ZGJZGGLESDGNCY-STQMWFEESA-N 1 0 243.347 0.790 20 30 BCEDRO C=C(C)CN(CC)C(=O)C(=O)N(C)C[C@H](C)[NH3+] ZINC000863749619 589314375 /nfs/dbraw/zinc/31/43/75/589314375.db2.gz WMIMOWULPCPJAN-JTQLQIEISA-N 1 0 241.335 0.217 20 30 BCEDRO C=CCN(C(=O)C(=O)N(C)C[C@@H](C)[NH3+])C(C)C ZINC000863750631 589314464 /nfs/dbraw/zinc/31/44/64/589314464.db2.gz SCDSDNAFFCASDW-SNVBAGLBSA-N 1 0 241.335 0.215 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC1([NH2+]C)CCC1 ZINC000863922375 589326509 /nfs/dbraw/zinc/32/65/09/589326509.db2.gz SBOSLNGWBXHXEB-SNVBAGLBSA-N 1 0 224.304 0.283 20 30 BCEDRO CC[NH+]=C(NC[C@@H](O)C(F)(F)F)NC(C)C ZINC000864236730 589348227 /nfs/dbraw/zinc/34/82/27/589348227.db2.gz SVYFPLUXVVSXSN-SSDOTTSWSA-N 1 0 241.257 0.873 20 30 BCEDRO CNC(NC[C@H]1CC2(CO1)CCOCC2)=[NH+]C ZINC000864358273 589355360 /nfs/dbraw/zinc/35/53/60/589355360.db2.gz RHDGJDQMZSTVSJ-SNVBAGLBSA-N 1 0 241.335 0.367 20 30 BCEDRO CNC(N[C@@H]1C[C@H]1C1CCOCC1)=[NH+]C ZINC000864358269 589355521 /nfs/dbraw/zinc/35/55/21/589355521.db2.gz RBAVSGRLKFAHAL-VHSXEESVSA-N 1 0 211.309 0.596 20 30 BCEDRO CNC(NC[C@@H]1CC(=O)c2ccccc2O1)=[NH+]C ZINC000864358077 589355653 /nfs/dbraw/zinc/35/56/53/589355653.db2.gz HFUGURSQLMVLSU-VIFPVBQESA-N 1 0 247.298 0.815 20 30 BCEDRO CNC(NC[C@@H]1CCC12CCOCC2)=[NH+]C ZINC000864358267 589355671 /nfs/dbraw/zinc/35/56/71/589355671.db2.gz RAEOHHNWPKPAAT-JTQLQIEISA-N 1 0 225.336 0.988 20 30 BCEDRO C#CCN(CC)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000864990790 589403725 /nfs/dbraw/zinc/40/37/25/589403725.db2.gz XZAGFDOSIICHPP-UHFFFAOYSA-N 1 0 248.330 0.540 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[NH2+]CC(C)(C)C1 ZINC000865342923 589422741 /nfs/dbraw/zinc/42/27/41/589422741.db2.gz FICZSCWEGKFJJC-SNVBAGLBSA-N 1 0 223.320 0.697 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1cn(CCC)nn1 ZINC000865519536 589442772 /nfs/dbraw/zinc/44/27/72/589442772.db2.gz ALIBURRXJQLXMQ-NSHDSACASA-N 1 0 238.335 0.962 20 30 BCEDRO C#CCOc1ccc(C[NH2+]C[C@@H](O)[C@@H](C)O)cc1 ZINC000865738016 589459886 /nfs/dbraw/zinc/45/98/86/589459886.db2.gz AQDMASKPKYGXSC-BXUZGUMPSA-N 1 0 249.310 0.530 20 30 BCEDRO C#Cc1ccc(C[NH2+]C[C@H](O)[C@H](C)O)cc1 ZINC000865738335 589459917 /nfs/dbraw/zinc/45/99/17/589459917.db2.gz LLJWUPAHGNYHKP-GWCFXTLKSA-N 1 0 219.284 0.499 20 30 BCEDRO C=CC[C@H](C)NC(=O)/C=C/CN1CCOCC1 ZINC000865926727 589468939 /nfs/dbraw/zinc/46/89/39/589468939.db2.gz YLIJQXJIASEKCY-FUEXJSSKSA-N 1 0 238.331 0.956 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3cc(C#N)ncn3)CC[C@@H]21 ZINC000866210174 589480533 /nfs/dbraw/zinc/48/05/33/589480533.db2.gz YZIDMFHDFICOPH-JQWIXIFHSA-N 1 0 243.314 0.879 20 30 BCEDRO C#Cc1cnc(N2CC[C@H]3[C@H](CC[N@H+]3C)C2)nc1 ZINC000866210101 589480629 /nfs/dbraw/zinc/48/06/29/589480629.db2.gz XZERUCAEVICNGF-OLZOCXBDSA-N 1 0 242.326 0.988 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3cnc(C#N)cn3)CC[C@H]21 ZINC000866207178 589480752 /nfs/dbraw/zinc/48/07/52/589480752.db2.gz VPTGMAYWKINKAM-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO COC(=O)[C@@H](c1ccc(C#N)cc1)N(C)CC[NH3+] ZINC000866666589 589509652 /nfs/dbraw/zinc/50/96/52/589509652.db2.gz SKIAKPHHOOPAFA-GFCCVEGCSA-N 1 0 247.298 0.663 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@H]3[NH2+]CC[C@@H]32)C1=O ZINC000866726395 589516145 /nfs/dbraw/zinc/51/61/45/589516145.db2.gz ZOSWPRQJJRQGEM-AGIUHOORSA-N 1 0 249.358 0.600 20 30 BCEDRO C[N@H+]1C[C@H]2CN(C(=O)c3coc(C#N)c3)C[C@H]2C1 ZINC000867872809 589537821 /nfs/dbraw/zinc/53/78/21/589537821.db2.gz HQXWRJWQHVLQRD-PHIMTYICSA-N 1 0 245.282 0.785 20 30 BCEDRO CC1(C)C[NH2+]CCN1C(=O)c1coc(C#N)c1 ZINC000867960172 589541409 /nfs/dbraw/zinc/54/14/09/589541409.db2.gz HZKQJGDFYFKTRZ-UHFFFAOYSA-N 1 0 233.271 0.975 20 30 BCEDRO CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867953225 589541533 /nfs/dbraw/zinc/54/15/33/589541533.db2.gz QOVQESIMHFJWLY-LBPRGKRZSA-N 1 0 229.283 0.881 20 30 BCEDRO C[NH2+][C@@H]1CCN(C(=O)c2coc(C#N)c2)C1 ZINC000867966036 589541605 /nfs/dbraw/zinc/54/16/05/589541605.db2.gz LRZYNEBDJIDLDM-SECBINFHSA-N 1 0 219.244 0.585 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)CC[NH3+])C2 ZINC000868038599 589545538 /nfs/dbraw/zinc/54/55/38/589545538.db2.gz WWAFSPZSBPCGLK-LBPRGKRZSA-N 1 0 229.283 0.490 20 30 BCEDRO C[NH2+]CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868038129 589545791 /nfs/dbraw/zinc/54/57/91/589545791.db2.gz MDUIQFBJVIVHNZ-LBPRGKRZSA-N 1 0 229.283 0.361 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)[C@H]1CC[NH2+]1)C2 ZINC000868037421 589545809 /nfs/dbraw/zinc/54/58/09/589545809.db2.gz DXGDBVSJLKZHLY-CHWSQXEVSA-N 1 0 241.294 0.504 20 30 BCEDRO C#CCCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000868253624 589552898 /nfs/dbraw/zinc/55/28/98/589552898.db2.gz WJWDDQMVGMGSKO-VXGBXAGGSA-N 1 0 235.331 0.745 20 30 BCEDRO CC#CCNC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868454273 589558148 /nfs/dbraw/zinc/55/81/48/589558148.db2.gz AOSWPGGYTNUVGQ-RYUDHWBXSA-N 1 0 235.331 0.745 20 30 BCEDRO C[NH+](C)C1(CNC(=O)c2coc(C#N)c2)CC1 ZINC000868895693 589581740 /nfs/dbraw/zinc/58/17/40/589581740.db2.gz AKOLWAFEPAMVAO-UHFFFAOYSA-N 1 0 233.271 0.975 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)/C=C\COC ZINC000870194095 589648435 /nfs/dbraw/zinc/64/84/35/589648435.db2.gz IRUUEWXXOCZROR-SMYYYNMVSA-N 1 0 237.299 0.830 20 30 BCEDRO C#CCO[C@@H](C)C(=O)O[C@@H](CC)C[NH+](C)C ZINC000870547753 589672819 /nfs/dbraw/zinc/67/28/19/589672819.db2.gz JVXUHWJBXPNMGL-QWRGUYRKSA-N 1 0 227.304 0.908 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@](O)(CC)C1 ZINC000870680672 589683145 /nfs/dbraw/zinc/68/31/45/589683145.db2.gz KCYWBACFCLNXHH-CYBMUJFWSA-N 1 0 240.347 0.868 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@]23C[C@@H]2C[C@@H]([NH3+])C3)C1 ZINC000870914512 589696871 /nfs/dbraw/zinc/69/68/71/589696871.db2.gz VGOZLGBBLZSKLB-ZTVLKNOQSA-N 1 0 233.315 0.922 20 30 BCEDRO CC[NH2+]CCCNC(=O)c1coc(C#N)c1 ZINC000870932397 589697964 /nfs/dbraw/zinc/69/79/64/589697964.db2.gz GGGAOZXZOJPOFL-UHFFFAOYSA-N 1 0 221.260 0.881 20 30 BCEDRO CC(C)[C@H]([NH3+])CNC(=O)c1coc(C#N)c1 ZINC000870936766 589698809 /nfs/dbraw/zinc/69/88/09/589698809.db2.gz OQVLUWVVGBATTB-SNVBAGLBSA-N 1 0 221.260 0.864 20 30 BCEDRO N#Cc1cc(C(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)co1 ZINC000870941927 589699636 /nfs/dbraw/zinc/69/96/36/589699636.db2.gz DSCHRGLJGMMQPU-AOOOYVTPSA-N 1 0 231.255 0.443 20 30 BCEDRO N#Cc1cc(C(=O)N2CC3CC2(C[NH3+])C3)co1 ZINC000870955576 589701125 /nfs/dbraw/zinc/70/11/25/589701125.db2.gz WJQJYLBOSWJWIE-UHFFFAOYSA-N 1 0 231.255 0.715 20 30 BCEDRO N#Cc1cc(C(=O)NCC23CC(C2)C[NH2+]3)co1 ZINC000870957174 589701484 /nfs/dbraw/zinc/70/14/84/589701484.db2.gz YQQPWIUSYWPDHP-UHFFFAOYSA-N 1 0 231.255 0.633 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870964563 589702202 /nfs/dbraw/zinc/70/22/02/589702202.db2.gz BQTHXARCMSZWPG-PHIMTYICSA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCCn1cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)nn1 ZINC000870964906 589702441 /nfs/dbraw/zinc/70/24/41/589702441.db2.gz JJLCUMZCXSXFTI-AOOOYVTPSA-N 1 0 249.318 0.321 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970504 589703300 /nfs/dbraw/zinc/70/33/00/589703300.db2.gz YDEWACYZGRAFRA-DCAQKATOSA-N 1 0 226.320 0.821 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)CCC[NH3+])C2 ZINC000871012346 589711188 /nfs/dbraw/zinc/71/11/88/589711188.db2.gz QBKCQRDFSYOTMJ-CYBMUJFWSA-N 1 0 243.310 0.881 20 30 BCEDRO C#CCCCCNC(=[NH2+])N(C)CCOC ZINC000871605924 589774941 /nfs/dbraw/zinc/77/49/41/589774941.db2.gz SCPJLMMCGQCNKD-UHFFFAOYSA-N 1 0 211.309 0.892 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])N(C)CCOC ZINC000871606876 589769300 /nfs/dbraw/zinc/76/93/00/589769300.db2.gz YEFIHKJBZXBELS-SNVBAGLBSA-N 1 0 229.324 0.274 20 30 BCEDRO CNC(NCCn1ccc(C(F)(F)F)n1)=[NH+]C ZINC000871603208 589773498 /nfs/dbraw/zinc/77/34/98/589773498.db2.gz JHEHAJUOIGCIEE-UHFFFAOYSA-N 1 0 249.240 0.697 20 30 BCEDRO C#CCNC(=O)NCCN1CCOC[C@H]1CC ZINC000871629679 589779343 /nfs/dbraw/zinc/77/93/43/589779343.db2.gz SGCAXUPVEIECNK-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000123895656 589850001 /nfs/dbraw/zinc/85/00/01/589850001.db2.gz KXLVXAKHSMBTGN-NWDGAFQWSA-N 1 0 238.331 0.361 20 30 BCEDRO N#Cc1ccc(N2CCN(CCC[NH3+])CC2)cn1 ZINC000872146272 589884956 /nfs/dbraw/zinc/88/49/56/589884956.db2.gz JHEBZOIFRCLGAQ-UHFFFAOYSA-N 1 0 245.330 0.424 20 30 BCEDRO N#Cc1cc(-c2nc(N3CC[NH2+]CC3)no2)co1 ZINC000872183682 589889679 /nfs/dbraw/zinc/88/96/79/589889679.db2.gz LADVMBPOVURCKN-UHFFFAOYSA-N 1 0 245.242 0.611 20 30 BCEDRO C#CCSCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872204170 589891740 /nfs/dbraw/zinc/89/17/40/589891740.db2.gz LMHDXUMSFXHKHE-SNVBAGLBSA-N 1 0 231.361 0.464 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872216368 589895287 /nfs/dbraw/zinc/89/52/87/589895287.db2.gz SDESIAQMPVGNRP-WDEREUQCSA-N 1 0 229.320 0.136 20 30 BCEDRO C[C@H](O)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000872238627 589898880 /nfs/dbraw/zinc/89/88/80/589898880.db2.gz IYIVRWSQHTZCEB-ZANVPECISA-N 1 0 216.284 0.996 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]CCC(N)=O)C2 ZINC000872240687 589898949 /nfs/dbraw/zinc/89/89/49/589898949.db2.gz YYXQURZZRYFKPY-LBPRGKRZSA-N 1 0 229.283 0.490 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@]12CCC[C@H]1OCC2 ZINC000872280308 589904762 /nfs/dbraw/zinc/90/47/62/589904762.db2.gz QMSNCWIPWCZOIP-YPMHNXCESA-N 1 0 238.331 0.932 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@]12CCC[C@H]1OCC2 ZINC000872288013 589906336 /nfs/dbraw/zinc/90/63/36/589906336.db2.gz RVCSKMPSOILKGM-WGBDABJCSA-N 1 0 249.314 0.173 20 30 BCEDRO C=C(C)C[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872286485 589906372 /nfs/dbraw/zinc/90/63/72/589906372.db2.gz IYATZXVMDQEMLU-UHFFFAOYSA-N 1 0 238.331 0.934 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N1C[C@@H]2COC[C@@H]2C1 ZINC000872314412 589910078 /nfs/dbraw/zinc/91/00/78/589910078.db2.gz CTYXWYUYXUHIFQ-BETUJISGSA-N 1 0 248.326 0.094 20 30 BCEDRO C=CCNC(=S)NN=CC1CC[NH+](C)CC1 ZINC000872327951 589913978 /nfs/dbraw/zinc/91/39/78/589913978.db2.gz MWRNFGHZXJNBIL-UHFFFAOYSA-N 1 0 240.376 0.964 20 30 BCEDRO COc1ccnc(N=NC2CC[N@H+](C)[C@@H]2C)n1 ZINC000872342084 589915283 /nfs/dbraw/zinc/91/52/83/589915283.db2.gz HWMSCYKPUMVDMW-MRVPVSSYSA-N 1 0 235.291 0.977 20 30 BCEDRO C[C@H]1C(N=Nc2ncnc3[nH]cnc32)CC[N@@H+]1C ZINC000872344578 589915770 /nfs/dbraw/zinc/91/57/70/589915770.db2.gz KZQMLFOEDUVJLX-ZETCQYMHSA-N 1 0 245.290 0.845 20 30 BCEDRO C[C@@H]1C(N=Nc2cccnn2)CC[N@@H+]1C ZINC000872352908 589916094 /nfs/dbraw/zinc/91/60/94/589916094.db2.gz MCQVNLFMHTVYBD-MRVPVSSYSA-N 1 0 205.265 0.969 20 30 BCEDRO C[C@@H]1C(N=NC2=N[C@H]3CCCC[C@@H]3N2)CC[N@@H+]1C ZINC000872359769 589918945 /nfs/dbraw/zinc/91/89/45/589918945.db2.gz ORSTZSFWUNPRIT-USWWRNFRSA-N 1 0 249.362 0.926 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnsc2)N1 ZINC000872365027 589920866 /nfs/dbraw/zinc/92/08/66/589920866.db2.gz ZPNKEXUZQVDHQF-LURJTMIESA-N 1 0 209.278 0.414 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCN(C)[C@H]2C)=[NH+]1 ZINC000872364623 589920897 /nfs/dbraw/zinc/92/08/97/589920897.db2.gz PGUSDZZBLNFJCO-SFYZADRCSA-N 1 0 209.297 0.004 20 30 BCEDRO COCCN(C)N=CC1CC[NH+](C)CC1 ZINC000872373003 589923803 /nfs/dbraw/zinc/92/38/03/589923803.db2.gz VXFVEDSSDVYSMB-UHFFFAOYSA-N 1 0 213.325 0.892 20 30 BCEDRO Cc1ccc(C=NNC2=[NH+]CCN2)c(O)c1 ZINC000872385378 589929130 /nfs/dbraw/zinc/92/91/30/589929130.db2.gz GCHKGFZQEWTULL-UHFFFAOYSA-N 1 0 218.260 0.583 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]N(C)C[C@H](C)O ZINC000872385639 589929203 /nfs/dbraw/zinc/92/92/03/589929203.db2.gz KPZJJANCBGRJFS-VIFPVBQESA-N 1 0 222.292 0.619 20 30 BCEDRO c1cnc2c(c1)C(=NNC1=[NH+]CCN1)CCC2 ZINC000872385723 589929410 /nfs/dbraw/zinc/92/94/10/589929410.db2.gz NRYLXHKLOVDUSB-UHFFFAOYSA-N 1 0 229.287 0.671 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCNC(=O)CC1 ZINC000873129289 589985509 /nfs/dbraw/zinc/98/55/09/589985509.db2.gz KFMDMVCAFAKGMS-WDEREUQCSA-N 1 0 226.320 0.572 20 30 BCEDRO C#CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000873821248 590073411 /nfs/dbraw/zinc/07/34/11/590073411.db2.gz GVLSBASLAGHMDQ-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO CC[C@H](O)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000124698181 590075317 /nfs/dbraw/zinc/07/53/17/590075317.db2.gz KDVBKNDZZINOCJ-STQMWFEESA-N 1 0 234.299 0.952 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874828445 590141841 /nfs/dbraw/zinc/14/18/41/590141841.db2.gz WMBCCMRGFZPYIX-MDZLAQPJSA-N 1 0 238.331 0.619 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000874840332 590144804 /nfs/dbraw/zinc/14/48/04/590144804.db2.gz MGWMTHPEFPGUGC-RYUDHWBXSA-N 1 0 238.331 0.884 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C(C)(C)O)C1 ZINC000874875365 590152323 /nfs/dbraw/zinc/15/23/23/590152323.db2.gz YKOHVOLTZFOYLU-LLVKDONJSA-N 1 0 240.347 0.724 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@H]1COCCN1CC ZINC000875371455 590163354 /nfs/dbraw/zinc/16/33/54/590163354.db2.gz GGLAURHNXJOFTK-CYBMUJFWSA-N 1 0 248.326 0.192 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000875584327 590165971 /nfs/dbraw/zinc/16/59/71/590165971.db2.gz ZXXGWXDIUZBBJU-QWRGUYRKSA-N 1 0 241.335 0.274 20 30 BCEDRO C[C@H](NC(=O)C#CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000876516411 590206360 /nfs/dbraw/zinc/20/63/60/590206360.db2.gz RJCKKVVOBKJCIE-CMPLNLGQSA-N 1 0 220.316 0.904 20 30 BCEDRO CN(C(=O)C#CC(C)(C)C)[C@@H]1CC[NH2+]C1 ZINC000876527525 590209119 /nfs/dbraw/zinc/20/91/19/590209119.db2.gz ADSLJMIXXLZYHA-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CCC[C@@H]1C[NH3+] ZINC000876538866 590211493 /nfs/dbraw/zinc/21/14/93/590211493.db2.gz OXWLENVUHCKYRV-SNVBAGLBSA-N 1 0 208.305 0.986 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCC(=O)OCC ZINC000876579500 590218050 /nfs/dbraw/zinc/21/80/50/590218050.db2.gz UEKQOTTXEHJPDV-QMMMGPOBSA-N 1 0 248.710 0.526 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCCOC ZINC000876623945 590223014 /nfs/dbraw/zinc/22/30/14/590223014.db2.gz CBWKGSSZGLNZHV-SECBINFHSA-N 1 0 234.727 0.951 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[C@@H](O)CC ZINC000876636929 590224209 /nfs/dbraw/zinc/22/42/09/590224209.db2.gz NMSGRPDLGJOZMO-DTWKUNHWSA-N 1 0 234.727 0.734 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCC(=O)NC ZINC000876644051 590225469 /nfs/dbraw/zinc/22/54/69/590225469.db2.gz UZHYBYUJFNOPLG-QMMMGPOBSA-N 1 0 247.726 0.051 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)C(=O)OC ZINC000876641907 590225820 /nfs/dbraw/zinc/22/58/20/590225820.db2.gz PXCHHFXLMCKMGA-POYBYMJQSA-N 1 0 248.710 0.382 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(F)F ZINC000876655224 590226454 /nfs/dbraw/zinc/22/64/54/590226454.db2.gz HKUBMRMQCJQHRO-YFKPBYRVSA-N 1 0 212.627 0.838 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CCO)C(C)C ZINC000876656027 590226641 /nfs/dbraw/zinc/22/66/41/590226641.db2.gz CAAZWZYYNBPYRV-UWVGGRQHSA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CC[C@H](OC)C1 ZINC000876669137 590228148 /nfs/dbraw/zinc/22/81/48/590228148.db2.gz BTSAIZUIOQSQTQ-DTWKUNHWSA-N 1 0 232.711 0.704 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876668955 590228317 /nfs/dbraw/zinc/22/83/17/590228317.db2.gz WVOGZZYIENJSIT-XHNCKOQMSA-N 1 0 200.257 0.625 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)N(C)C ZINC000876689177 590230779 /nfs/dbraw/zinc/23/07/79/590230779.db2.gz UQBRGLSUKKRBCV-SFYZADRCSA-N 1 0 247.726 0.049 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)C[C@@H]1CCOC1 ZINC000876696842 590231952 /nfs/dbraw/zinc/23/19/52/590231952.db2.gz ZIIDNVIPQSGBOR-VHSXEESVSA-N 1 0 246.738 0.951 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)Cc1cc[nH]n1 ZINC000876758427 590238783 /nfs/dbraw/zinc/23/87/83/590238783.db2.gz IWVJTPHONQOAAO-SECBINFHSA-N 1 0 242.710 0.838 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1ncc[nH]1 ZINC000876763771 590239873 /nfs/dbraw/zinc/23/98/73/590239873.db2.gz HMMQBBSIRAXVJP-SSDOTTSWSA-N 1 0 228.683 0.496 20 30 BCEDRO COCC[NH2+]CCNC(=O)C#CC(C)(C)C ZINC000876791441 590241426 /nfs/dbraw/zinc/24/14/26/590241426.db2.gz MHTJRLRPRSTBDF-UHFFFAOYSA-N 1 0 226.320 0.388 20 30 BCEDRO COC1(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCC1 ZINC000876802152 590243120 /nfs/dbraw/zinc/24/31/20/590243120.db2.gz MDTBBWCMISILAR-VHSXEESVSA-N 1 0 237.303 0.173 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1CCC=CCC1 ZINC000876801305 590243165 /nfs/dbraw/zinc/24/31/65/590243165.db2.gz AUIBVLQOEJZZDJ-NWDGAFQWSA-N 1 0 233.315 0.961 20 30 BCEDRO CCO[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)C1CC1 ZINC000876801819 590243348 /nfs/dbraw/zinc/24/33/48/590243348.db2.gz JHUVUOAZBSUYIX-VWYCJHECSA-N 1 0 237.303 0.029 20 30 BCEDRO CC/C=C(\F)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876802538 590243731 /nfs/dbraw/zinc/24/37/31/590243731.db2.gz QBTPXIGPKRMFGV-XBFYPUGGSA-N 1 0 211.240 0.478 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC000876802806 590243756 /nfs/dbraw/zinc/24/37/56/590243756.db2.gz SEWPHYJRBIHBDK-DTWKUNHWSA-N 1 0 246.270 0.393 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(C#N)CC2(CC2)C1 ZINC000876803941 590244096 /nfs/dbraw/zinc/24/40/96/590244096.db2.gz ZTQLDBSSPFXJAC-NXEZZACHSA-N 1 0 244.298 0.298 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000876805920 590244423 /nfs/dbraw/zinc/24/44/23/590244423.db2.gz IKNFMGIZSLLZTJ-CYBMUJFWSA-N 1 0 218.300 0.612 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(F)(F)CN ZINC000876809295 590245355 /nfs/dbraw/zinc/24/53/55/590245355.db2.gz RVOMHAPNSLSCTE-LURJTMIESA-N 1 0 241.669 0.167 20 30 BCEDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C#CC1CC1 ZINC000876831409 590245854 /nfs/dbraw/zinc/24/58/54/590245854.db2.gz ZNRYTCVZPPOTOZ-ONGXEEELSA-N 1 0 206.289 0.514 20 30 BCEDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C#CC1CC1 ZINC000876831406 590247721 /nfs/dbraw/zinc/24/77/21/590247721.db2.gz ZNRYTCVZPPOTOZ-GXSJLCMTSA-N 1 0 206.289 0.514 20 30 BCEDRO CC[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1[NH3+] ZINC000876834614 590247876 /nfs/dbraw/zinc/24/78/76/590247876.db2.gz SVESMHWRCZAYAR-VXGBXAGGSA-N 1 0 220.316 0.986 20 30 BCEDRO O=C(C#CC1CC1)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000876838964 590248310 /nfs/dbraw/zinc/24/83/10/590248310.db2.gz XHOUGDIPGOZPCS-PHIMTYICSA-N 1 0 204.273 0.078 20 30 BCEDRO C[C@@H]1CC[NH2+][C@@H](C)[C@H]1NC(=O)C#CC1CC1 ZINC000876847206 590249652 /nfs/dbraw/zinc/24/96/52/590249652.db2.gz ARPLDUGWYHYMGH-NRUUGDAUSA-N 1 0 220.316 0.903 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000876857949 590249833 /nfs/dbraw/zinc/24/98/33/590249833.db2.gz XMXNISGLPZMFMM-RYUDHWBXSA-N 1 0 218.300 0.610 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCOC(C)C ZINC000876884074 590253760 /nfs/dbraw/zinc/25/37/60/590253760.db2.gz IBACVGVQXAAHLQ-VIFPVBQESA-N 1 0 234.727 0.998 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876932886 590258547 /nfs/dbraw/zinc/25/85/47/590258547.db2.gz YROUNOISJHZODX-ZDCRXTMVSA-N 1 0 239.294 0.742 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2[C@@H](C[NH3+])C2(F)F)C1 ZINC000876932831 590258615 /nfs/dbraw/zinc/25/86/15/590258615.db2.gz XKIQRYILNSFRON-JQCXWYLXSA-N 1 0 243.257 0.635 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CO[C@H](C)C1 ZINC000876940717 590259408 /nfs/dbraw/zinc/25/94/08/590259408.db2.gz ZIUNXYOMTNKGTO-HLTSFMKQSA-N 1 0 232.711 0.750 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)C#CC1CC1 ZINC000876952422 590260222 /nfs/dbraw/zinc/26/02/22/590260222.db2.gz OVPZKQRDNPLEGX-KOLCDFICSA-N 1 0 206.289 0.738 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)Cc1c[nH]cn1 ZINC000876956897 590260714 /nfs/dbraw/zinc/26/07/14/590260714.db2.gz RHNGGXNURLPHST-SECBINFHSA-N 1 0 242.710 0.838 20 30 BCEDRO C=CCOCCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876968901 590262487 /nfs/dbraw/zinc/26/24/87/590262487.db2.gz UWUVWXOAWNNWJV-GHMZBOCLSA-N 1 0 244.310 0.643 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CCC)C(N)=O ZINC000876986661 590263405 /nfs/dbraw/zinc/26/34/05/590263405.db2.gz IDFSXAZYJAZGNY-YUMQZZPRSA-N 1 0 247.726 0.227 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000876978042 590263755 /nfs/dbraw/zinc/26/37/55/590263755.db2.gz DQDMFXILCSUBTE-NXEZZACHSA-N 1 0 226.295 0.934 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CCS(C)(=O)=O ZINC000876977351 590263847 /nfs/dbraw/zinc/26/38/47/590263847.db2.gz YPJSBHACQQGOFR-SECBINFHSA-N 1 0 218.322 0.560 20 30 BCEDRO C[C@]1(NC(=O)c2coc(C#N)c2)CC[NH2+]C1 ZINC000876981553 590264559 /nfs/dbraw/zinc/26/45/59/590264559.db2.gz VMQQOLUMCCBJST-NSHDSACASA-N 1 0 219.244 0.633 20 30 BCEDRO C=CC(C)(C)CCNC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000876990464 590266382 /nfs/dbraw/zinc/26/63/82/590266382.db2.gz DIQJJQSDRCQGDJ-SECBINFHSA-N 1 0 239.319 0.809 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)C1 ZINC000876994932 590266972 /nfs/dbraw/zinc/26/69/72/590266972.db2.gz SNMDEVQZCABSTH-NXEZZACHSA-N 1 0 237.303 0.515 20 30 BCEDRO CN1CC[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877019328 590269289 /nfs/dbraw/zinc/26/92/89/590269289.db2.gz JVRDHCKIHCWPGM-LBPRGKRZSA-N 1 0 216.288 0.747 20 30 BCEDRO C=CCCCC(=O)NCCOCC[NH2+]C ZINC000877025639 590271151 /nfs/dbraw/zinc/27/11/51/590271151.db2.gz QKEUIJZURWOREL-UHFFFAOYSA-N 1 0 214.309 0.695 20 30 BCEDRO C[NH2+]CCOCCN(C)C(=O)C#CC1CC1 ZINC000877029435 590271620 /nfs/dbraw/zinc/27/16/20/590271620.db2.gz CAQSGBCUOVWFPL-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO C[C@H]1CC[C@@H](NC(=O)C#CC2CC2)C[NH2+]1 ZINC000877052940 590275360 /nfs/dbraw/zinc/27/53/60/590275360.db2.gz YTZBRCPUSQIPQY-GXSJLCMTSA-N 1 0 206.289 0.657 20 30 BCEDRO CC[C@@H]1C[C@H]1NC(=O)C#CC1CC[NH2+]CC1 ZINC000877079704 590279597 /nfs/dbraw/zinc/27/95/97/590279597.db2.gz JLBVFLWHKBBTRH-VXGBXAGGSA-N 1 0 220.316 0.904 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000877117944 590288298 /nfs/dbraw/zinc/28/82/98/590288298.db2.gz FCGSGEKATXSFHL-AEJSXWLSSA-N 1 0 246.738 0.998 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000877145557 590292212 /nfs/dbraw/zinc/29/22/12/590292212.db2.gz KTTYGQMPHIPWOY-WPRPVWTQSA-N 1 0 213.256 0.449 20 30 BCEDRO CC(C)(C)C#CC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000877168392 590292554 /nfs/dbraw/zinc/29/25/54/590292554.db2.gz LTVCVZJGGMUKBB-UWVGGRQHSA-N 1 0 206.289 0.609 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)C#CC(C)(C)C ZINC000877171345 590295721 /nfs/dbraw/zinc/29/57/21/590295721.db2.gz FCYSAPLTYQIHIN-VHSXEESVSA-N 1 0 208.305 0.984 20 30 BCEDRO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172940 590296355 /nfs/dbraw/zinc/29/63/55/590296355.db2.gz YUNAVIPTINAYJQ-PHIMTYICSA-N 1 0 204.273 0.363 20 30 BCEDRO C=C(C)C[C@H](NC(=O)C[NH2+]CC)C(=O)OC ZINC000877195519 590299586 /nfs/dbraw/zinc/29/95/86/590299586.db2.gz LNPNRLDTSCWOKR-VIFPVBQESA-N 1 0 228.292 0.220 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000877245013 590303286 /nfs/dbraw/zinc/30/32/86/590303286.db2.gz ZABMVASDHYVNCU-MGCOHNPYSA-N 1 0 208.305 0.889 20 30 BCEDRO O=C(C#CC1CC1)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877384380 590320530 /nfs/dbraw/zinc/32/05/30/590320530.db2.gz FTODTIUOYLEQFS-AAEUAGOBSA-N 1 0 218.300 0.801 20 30 BCEDRO C[C@H](C[C@H]1CCCC(=O)N1)[NH2+]CCC#N ZINC000877483809 590337698 /nfs/dbraw/zinc/33/76/98/590337698.db2.gz QBNZYXRKMQTJBC-NXEZZACHSA-N 1 0 209.293 0.937 20 30 BCEDRO C#C[C@@H]([NH2+][C@H]1CCNC(=O)CC1)C(C)C ZINC000877513755 590342677 /nfs/dbraw/zinc/34/26/77/590342677.db2.gz YXWUETLNNUEPOU-GHMZBOCLSA-N 1 0 208.305 0.903 20 30 BCEDRO COC[C@@H](O)C[NH2+]C[C@H](C)CCC#N ZINC000877505781 590343191 /nfs/dbraw/zinc/34/31/91/590343191.db2.gz YSNGJWUQXOODMS-ZJUUUORDSA-N 1 0 200.282 0.523 20 30 BCEDRO COC(=O)N(C)CC[NH2+]Cc1cccc(C#N)n1 ZINC000877634187 590379947 /nfs/dbraw/zinc/37/99/47/590379947.db2.gz XPAQMZQLZXTIBH-UHFFFAOYSA-N 1 0 248.286 0.741 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ncnn1C ZINC000877661207 590386702 /nfs/dbraw/zinc/38/67/02/590386702.db2.gz XTCICMORIKGALN-JTQLQIEISA-N 1 0 222.292 0.333 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1ncnn1CC ZINC000877661038 590386767 /nfs/dbraw/zinc/38/67/67/590386767.db2.gz VVBDHASKGGEANH-LLVKDONJSA-N 1 0 236.319 0.816 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+][C@H](C)Cn1cncn1 ZINC000877659965 590387167 /nfs/dbraw/zinc/38/71/67/590387167.db2.gz BZMHBVVDNFRCKK-NEPJUHHUSA-N 1 0 236.319 0.685 20 30 BCEDRO C#CCCCCCC[NH2+][C@H]1COC[C@H]1O ZINC000877668665 590389161 /nfs/dbraw/zinc/38/91/61/590389161.db2.gz SQGUGDCQNJWWBC-NWDGAFQWSA-N 1 0 211.305 0.919 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719760 590400382 /nfs/dbraw/zinc/40/03/82/590400382.db2.gz HIDLWOHIXNQOBO-GARJFASQSA-N 1 0 249.314 0.473 20 30 BCEDRO C#Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000877764711 590420613 /nfs/dbraw/zinc/42/06/13/590420613.db2.gz JXTZGGAMBZKMTF-GASCZTMLSA-N 1 0 245.322 0.701 20 30 BCEDRO C=CC[C@H](C(=O)OC)N1CCO[C@@H](C)C1 ZINC000877896399 590441661 /nfs/dbraw/zinc/44/16/61/590441661.db2.gz ZFFISXCTCAVOIS-VHSXEESVSA-N 1 0 213.277 0.825 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCN(C(=O)CN(C)C)CC1 ZINC000877957572 590457720 /nfs/dbraw/zinc/45/77/20/590457720.db2.gz BCUYPNFUJSZMPV-LBPRGKRZSA-N 1 0 239.363 0.657 20 30 BCEDRO C=CC[C@@H](C(=O)OC)N1CCCOCC1 ZINC000878014911 590471425 /nfs/dbraw/zinc/47/14/25/590471425.db2.gz SHXWFCWSGLFRNU-JTQLQIEISA-N 1 0 213.277 0.826 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000878034633 590476456 /nfs/dbraw/zinc/47/64/56/590476456.db2.gz IOEPUDUMFBFNOM-MNOVXSKESA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+](C)CCCC(=O)NC ZINC000878296758 590536857 /nfs/dbraw/zinc/53/68/57/590536857.db2.gz MUSFQACRXYARRY-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000878301528 590538510 /nfs/dbraw/zinc/53/85/10/590538510.db2.gz ZTIQAWKVEIFJST-BDAKNGLRSA-N 1 0 218.322 0.314 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000878331573 590548299 /nfs/dbraw/zinc/54/82/99/590548299.db2.gz WCYDBZZXEONRBS-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@@H]1O ZINC000878335074 590549756 /nfs/dbraw/zinc/54/97/56/590549756.db2.gz HTSVOUQCMRWIDV-KWQFWETISA-N 1 0 206.245 0.964 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000878338378 590550302 /nfs/dbraw/zinc/55/03/02/590550302.db2.gz RDCZXHLQKXKMAT-SNVBAGLBSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000878340696 590552369 /nfs/dbraw/zinc/55/23/69/590552369.db2.gz UELIWGZXJDPTHJ-MNOVXSKESA-N 1 0 246.376 0.965 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnnn1)c1cccc(C#N)c1 ZINC000878361421 590554021 /nfs/dbraw/zinc/55/40/21/590554021.db2.gz QVKDAZBYKMCFOG-SNVBAGLBSA-N 1 0 242.286 0.896 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000878429155 590566718 /nfs/dbraw/zinc/56/67/18/590566718.db2.gz BKIAFIOPPMBDIL-VXGBXAGGSA-N 1 0 210.321 0.967 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)CC1(O)CCCC1 ZINC000878501209 590580656 /nfs/dbraw/zinc/58/06/56/590580656.db2.gz OCZDIXMRABGBCY-LLVKDONJSA-N 1 0 211.305 0.608 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000878532172 590587335 /nfs/dbraw/zinc/58/73/35/590587335.db2.gz QATLYPYCVUKLDV-UWVGGRQHSA-N 1 0 227.304 0.807 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCCS(C)(=O)=O ZINC000878676646 590607848 /nfs/dbraw/zinc/60/78/48/590607848.db2.gz WSLZOLSLTYRIQW-MNOVXSKESA-N 1 0 247.360 0.744 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCc1nnnn1C ZINC000878698088 590611347 /nfs/dbraw/zinc/61/13/47/590611347.db2.gz AOCFOXUHRLYSSD-MRVPVSSYSA-N 1 0 208.269 0.034 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)CC(C)(C)O ZINC000878698122 590611324 /nfs/dbraw/zinc/61/13/24/590611324.db2.gz BFEXPRFMNYTCAQ-NXEZZACHSA-N 1 0 214.309 0.790 20 30 BCEDRO C#CCC[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@@H]1C ZINC000878752092 590618642 /nfs/dbraw/zinc/61/86/42/590618642.db2.gz GNUMDOAYJQQLOF-OUAUKWLOSA-N 1 0 208.305 0.949 20 30 BCEDRO COC(C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1)OC ZINC000878772023 590620666 /nfs/dbraw/zinc/62/06/66/590620666.db2.gz CNDITXSQAWFOCV-GHMZBOCLSA-N 1 0 241.335 0.523 20 30 BCEDRO C#CCOCC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878772341 590620915 /nfs/dbraw/zinc/62/09/15/590620915.db2.gz LDFIVGPJSNGHOG-STQMWFEESA-N 1 0 235.331 0.554 20 30 BCEDRO C[C@H](CC#N)NC[C@@](O)(C(N)=O)c1ccccc1 ZINC000878821501 590627902 /nfs/dbraw/zinc/62/79/02/590627902.db2.gz ZPCUSJSOTGEXFC-MFKMUULPSA-N 1 0 247.298 0.251 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCc2nnnn2C)C1 ZINC000878844254 590631039 /nfs/dbraw/zinc/63/10/39/590631039.db2.gz UXZZGRILSNOAOE-SNVBAGLBSA-N 1 0 219.292 0.098 20 30 BCEDRO C#CC[NH2+][C@@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000878873381 590636382 /nfs/dbraw/zinc/63/63/82/590636382.db2.gz KJORTPIZXDCTLB-NEPJUHHUSA-N 1 0 223.316 0.919 20 30 BCEDRO C=CC[N@@H+](CCc1nnnn1C)[C@H](C)COC ZINC000878889875 590641489 /nfs/dbraw/zinc/64/14/89/590641489.db2.gz LKBLPCPJHNYROH-SNVBAGLBSA-N 1 0 239.323 0.276 20 30 BCEDRO C#CCN(CCN1CCOC1=O)C1CSC1 ZINC000878909516 590644760 /nfs/dbraw/zinc/64/47/60/590644760.db2.gz UFBXDQIJYGFIDL-UHFFFAOYSA-N 1 0 240.328 0.489 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000878949394 590658713 /nfs/dbraw/zinc/65/87/13/590658713.db2.gz LXSLSQNQQCGOQW-GHMZBOCLSA-N 1 0 246.376 0.917 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCc1ccc(C(N)=O)cc1 ZINC000878995266 590672192 /nfs/dbraw/zinc/67/21/92/590672192.db2.gz PFLRULAXFPHWPX-GFCCVEGCSA-N 1 0 234.299 0.465 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CCC2(CCOCC2)O1 ZINC000878995410 590672666 /nfs/dbraw/zinc/67/26/66/590672666.db2.gz QSBRNRRHEZVTCA-NEPJUHHUSA-N 1 0 241.331 0.851 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000878995749 590672844 /nfs/dbraw/zinc/67/28/44/590672844.db2.gz VYNIRQMUOMDACY-GHMZBOCLSA-N 1 0 229.320 0.179 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@H](O)CC(C)(C)O ZINC000878999435 590674653 /nfs/dbraw/zinc/67/46/53/590674653.db2.gz MMIFCZSZWGYGSU-GFCCVEGCSA-N 1 0 243.347 0.480 20 30 BCEDRO C=CC[C@H](C)[N@H+]1CCO[C@H](CNC(=O)NC)C1 ZINC000879034098 590682893 /nfs/dbraw/zinc/68/28/93/590682893.db2.gz WHGUZRZDQBHYCP-WDEREUQCSA-N 1 0 241.335 0.581 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879042835 590685279 /nfs/dbraw/zinc/68/52/79/590685279.db2.gz XULHXHWFZAQWRQ-GHMZBOCLSA-N 1 0 244.310 0.459 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000879056817 590689241 /nfs/dbraw/zinc/68/92/41/590689241.db2.gz UYBJNHUQNZSRBD-OUAUKWLOSA-N 1 0 227.304 0.807 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C)C[C@H]1CO ZINC000879150499 590703452 /nfs/dbraw/zinc/70/34/52/590703452.db2.gz XHCBRPIVGFLGAE-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO CO[C@H]1CC[C@H](C)[N@H+](CC(=O)NCCC#N)C1 ZINC000879319316 590740735 /nfs/dbraw/zinc/74/07/35/590740735.db2.gz VJLAYENMDRVWCB-QWRGUYRKSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCC[N@H+]1CCCC[C@H]1CNC(=O)NC ZINC000879334923 590749105 /nfs/dbraw/zinc/74/91/05/590749105.db2.gz HLJSITLMBZINFU-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879363419 590753548 /nfs/dbraw/zinc/75/35/48/590753548.db2.gz UDOUJJIWYSBHAH-RWMBFGLXSA-N 1 0 243.347 0.379 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C)(F)CC1 ZINC000879381332 590758290 /nfs/dbraw/zinc/75/82/90/590758290.db2.gz ZHRYVUSIGBJUBO-SNVBAGLBSA-N 1 0 226.295 0.948 20 30 BCEDRO C#CCNC(=O)C[NH2+]C(C)(C)[C@@H]1CCCCO1 ZINC000879409138 590762920 /nfs/dbraw/zinc/76/29/20/590762920.db2.gz QFOMNMAASPOYIV-NSHDSACASA-N 1 0 238.331 0.673 20 30 BCEDRO C#CC[N@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879494607 590780895 /nfs/dbraw/zinc/78/08/95/590780895.db2.gz SLTYXKCRZBHHOZ-NSHDSACASA-N 1 0 206.289 0.596 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(CCOCCC#N)CC[C@@H]21 ZINC000879578422 590814132 /nfs/dbraw/zinc/81/41/32/590814132.db2.gz DWEOYHLQBUMKCT-OLZOCXBDSA-N 1 0 237.347 0.943 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(CCOCCC#N)CC[C@@H]21 ZINC000879578424 590814932 /nfs/dbraw/zinc/81/49/32/590814932.db2.gz DWEOYHLQBUMKCT-STQMWFEESA-N 1 0 237.347 0.943 20 30 BCEDRO COCC#CCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579281 590816375 /nfs/dbraw/zinc/81/63/75/590816375.db2.gz ZAQHLTQAQZOHEL-CHWSQXEVSA-N 1 0 222.332 0.662 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879617259 590831719 /nfs/dbraw/zinc/83/17/19/590831719.db2.gz MQHBGTMLEHNBKV-JTQLQIEISA-N 1 0 226.320 0.381 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879720814 590855045 /nfs/dbraw/zinc/85/50/45/590855045.db2.gz HQLVUVNRSDXAHK-VXGBXAGGSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879931492 590890971 /nfs/dbraw/zinc/89/09/71/590890971.db2.gz LNLMDFIIMVLTTD-MNOVXSKESA-N 1 0 229.345 0.929 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879931498 590891196 /nfs/dbraw/zinc/89/11/96/590891196.db2.gz LNLMDFIIMVLTTD-WDEREUQCSA-N 1 0 229.345 0.929 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879992737 590904791 /nfs/dbraw/zinc/90/47/91/590904791.db2.gz SHLUOJXTULTXRB-MNOVXSKESA-N 1 0 239.319 0.109 20 30 BCEDRO C=C(C)CC[N@@H+](C)CCS(N)(=O)=O ZINC000880083630 590921355 /nfs/dbraw/zinc/92/13/55/590921355.db2.gz DHKBOEVGNGDRSC-UHFFFAOYSA-N 1 0 206.311 0.173 20 30 BCEDRO C=CCCCC[N@@H+](C)CCS(N)(=O)=O ZINC000880085401 590921159 /nfs/dbraw/zinc/92/11/59/590921159.db2.gz LXJUJQXWMFBELR-UHFFFAOYSA-N 1 0 220.338 0.563 20 30 BCEDRO C=CCOCC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880166877 590948757 /nfs/dbraw/zinc/94/87/57/590948757.db2.gz GGDDIWUNGHJIJF-UHFFFAOYSA-N 1 0 238.331 0.934 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](CF)C1 ZINC000880234614 590964478 /nfs/dbraw/zinc/96/44/78/590964478.db2.gz JVRXERSUHZKYMM-SNVBAGLBSA-N 1 0 214.284 0.970 20 30 BCEDRO N#CCCNC(=O)C[N@H+]1CC[C@H](CF)C1 ZINC000880292361 590987859 /nfs/dbraw/zinc/98/78/59/590987859.db2.gz OUDRQTTWXKGYGR-SECBINFHSA-N 1 0 213.256 0.308 20 30 BCEDRO C=C(C)C[N@H+](CC(N)=O)C1CCOCC1 ZINC000880392881 591019303 /nfs/dbraw/zinc/01/93/03/591019303.db2.gz DOXBYWCKJYXAEB-UHFFFAOYSA-N 1 0 212.293 0.529 20 30 BCEDRO C=C(C)CCN1CCC(=O)NCC12COC2 ZINC000880399972 591021009 /nfs/dbraw/zinc/02/10/09/591021009.db2.gz CHNURQPNVOWHJL-UHFFFAOYSA-N 1 0 224.304 0.544 20 30 BCEDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CCOCCC#N ZINC000880436733 591039103 /nfs/dbraw/zinc/03/91/03/591039103.db2.gz AOLXHVNAABIIEC-NWDGAFQWSA-N 1 0 242.319 0.652 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[N@H+]2CC=C[C@H]2CO)cc1 ZINC000880486384 591060026 /nfs/dbraw/zinc/06/00/26/591060026.db2.gz BGKWULCGCHLOKO-KBPBESRZSA-N 1 0 244.294 0.824 20 30 BCEDRO C#CCCC[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880566939 591095355 /nfs/dbraw/zinc/09/53/55/591095355.db2.gz UIBJQVUGSZZWBD-LLVKDONJSA-N 1 0 211.261 0.010 20 30 BCEDRO COC(=O)[C@]1(O)CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000880565601 591096494 /nfs/dbraw/zinc/09/64/94/591096494.db2.gz MXUSLSCLTPNIEO-FOGDFJRCSA-N 1 0 238.287 0.288 20 30 BCEDRO C#CCC[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880583803 591100037 /nfs/dbraw/zinc/10/00/37/591100037.db2.gz BQIUIVGVKQIBGJ-GFCCVEGCSA-N 1 0 223.316 0.873 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC000880611067 591110838 /nfs/dbraw/zinc/11/08/38/591110838.db2.gz IIUKFFVHAPELFR-NTZNESFSSA-N 1 0 240.347 0.865 20 30 BCEDRO [NH2+]=C(NCCCF)NC[C@H]1CCCO1 ZINC000128726570 591155970 /nfs/dbraw/zinc/15/59/70/591155970.db2.gz SCSCVWRALZAOSV-MRVPVSSYSA-N 1 0 203.261 0.429 20 30 BCEDRO CC[NH2+]Cc1cn(Cc2ccc(C#N)o2)nn1 ZINC000881302842 591184397 /nfs/dbraw/zinc/18/43/97/591184397.db2.gz KPYSAQWELARSIB-UHFFFAOYSA-N 1 0 231.259 0.901 20 30 BCEDRO CC[C@](C)([NH3+])c1cn(CCO[C@H](C)C#N)nn1 ZINC000881324498 591191471 /nfs/dbraw/zinc/19/14/71/591191471.db2.gz WAUFRAXOJBHLGT-KOLCDFICSA-N 1 0 237.307 0.791 20 30 BCEDRO C=CCC[C@@H](O)Cn1cc([C@H](C)[NH3+])nn1 ZINC000881406393 591201493 /nfs/dbraw/zinc/20/14/93/591201493.db2.gz IHJJDRPCAYVFCS-DTWKUNHWSA-N 1 0 210.281 0.625 20 30 BCEDRO C=C(Cl)Cn1cc(C[C@@H]([NH3+])CCOC)nn1 ZINC000881426486 591203479 /nfs/dbraw/zinc/20/34/79/591203479.db2.gz IYFSFVDFGFNPBT-VIFPVBQESA-N 1 0 244.726 0.937 20 30 BCEDRO C#CC1(F)CN(C(=O)C[N@@H+](CC)C2CC2)C1 ZINC000881942142 591281664 /nfs/dbraw/zinc/28/16/64/591281664.db2.gz VWUQPADLLDCRGY-UHFFFAOYSA-N 1 0 224.279 0.654 20 30 BCEDRO C#CC1(F)CN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000881943691 591282549 /nfs/dbraw/zinc/28/25/49/591282549.db2.gz JYWSLFNWJRTFFH-SECBINFHSA-N 1 0 210.252 0.122 20 30 BCEDRO COCC[N@H+]1[C@H](C)CN(CC#N)C[C@@H]1C ZINC000129385105 591287359 /nfs/dbraw/zinc/28/73/59/591287359.db2.gz VHPCHNWSTNRGDH-PHIMTYICSA-N 1 0 211.309 0.551 20 30 BCEDRO Cc1ccc(NC[C@@](C)(O)C[NH+](C)C)c(C#N)n1 ZINC000882128588 591302394 /nfs/dbraw/zinc/30/23/94/591302394.db2.gz ZNECCZKAUFQMDI-CYBMUJFWSA-N 1 0 248.330 0.986 20 30 BCEDRO C=CCOCC(=O)NC[C@H]1CC[N@H+]1CC ZINC000882486726 591364760 /nfs/dbraw/zinc/36/47/60/591364760.db2.gz NZPMVIIVUNQPGA-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000882490863 591369997 /nfs/dbraw/zinc/36/99/97/591369997.db2.gz XZNOSHPGJINCIR-NSHDSACASA-N 1 0 232.287 0.710 20 30 BCEDRO C#Cc1cncc(C(=O)NC[C@@H]2CC[N@H+]2CC)c1 ZINC000882493247 591372711 /nfs/dbraw/zinc/37/27/11/591372711.db2.gz WYPUMFKLBRSUDN-ZDUSSCGKSA-N 1 0 243.310 0.887 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@H]2CC[N@H+]2CC)nn1 ZINC000882496256 591377555 /nfs/dbraw/zinc/37/75/55/591377555.db2.gz ZXXQSRQRKDCSAJ-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO CON=CC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000882509469 591380586 /nfs/dbraw/zinc/38/05/86/591380586.db2.gz AFWACSKOYRLTAE-UHFFFAOYSA-N 1 0 239.319 0.705 20 30 BCEDRO CS[C@H](C)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000130532111 591479328 /nfs/dbraw/zinc/47/93/28/591479328.db2.gz QTNPLHJBOZKYFD-BDAKNGLRSA-N 1 0 231.365 0.821 20 30 BCEDRO CNC(=[NH2+])NC[C@H](C)c1c(C)noc1C ZINC000130536449 591480763 /nfs/dbraw/zinc/48/07/63/591480763.db2.gz NFGZPWCDHXUYIC-LURJTMIESA-N 1 0 210.281 0.929 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000883123640 591543138 /nfs/dbraw/zinc/54/31/38/591543138.db2.gz FTBSECBJTHMJBH-SNVBAGLBSA-N 1 0 236.271 0.275 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000883125072 591544171 /nfs/dbraw/zinc/54/41/71/591544171.db2.gz YFLNEGLGSADEFD-DTWKUNHWSA-N 1 0 240.328 0.670 20 30 BCEDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000883375133 591637010 /nfs/dbraw/zinc/63/70/10/591637010.db2.gz DDHFMTUPBRPBMF-NAKRPEOUSA-N 1 0 242.344 0.844 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cncn1C ZINC000883400270 591640550 /nfs/dbraw/zinc/64/05/50/591640550.db2.gz ILANPRWVCPQDST-SNVBAGLBSA-N 1 0 209.293 0.837 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000883390717 591642514 /nfs/dbraw/zinc/64/25/14/591642514.db2.gz RXQCMFXNVUXOIR-TUAOUCFPSA-N 1 0 212.337 0.853 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C1CCN(C=O)CC1 ZINC000883391669 591644218 /nfs/dbraw/zinc/64/42/18/591644218.db2.gz PUWRPOXPGLZNRF-LBPRGKRZSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cnnn1C ZINC000883399989 591646558 /nfs/dbraw/zinc/64/65/58/591646558.db2.gz AXKFZDFMRXUYOE-SECBINFHSA-N 1 0 210.281 0.232 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ncnn1C ZINC000883400834 591648035 /nfs/dbraw/zinc/64/80/35/591648035.db2.gz WLXKQMSCGUKRDK-SECBINFHSA-N 1 0 210.281 0.232 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883560632 591691882 /nfs/dbraw/zinc/69/18/82/591691882.db2.gz JHSWGLKZDSKXSX-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=C(C)CNC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883586712 591695114 /nfs/dbraw/zinc/69/51/14/591695114.db2.gz QXRKBBWOPFUGSI-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO CN(C(=O)Nc1cccc(CC#N)n1)C1C[NH2+]C1 ZINC000883587955 591695726 /nfs/dbraw/zinc/69/57/26/591695726.db2.gz XJIIDXHLEUZBBK-UHFFFAOYSA-N 1 0 245.286 0.583 20 30 BCEDRO N#CCc1cccc(NC(=O)N[C@H]2CC[NH2+]C2)n1 ZINC000883587426 591696061 /nfs/dbraw/zinc/69/60/61/591696061.db2.gz ILQSRFGHJWAPPN-JTQLQIEISA-N 1 0 245.286 0.631 20 30 BCEDRO C=C(C)CNC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883586713 591696102 /nfs/dbraw/zinc/69/61/02/591696102.db2.gz QXRKBBWOPFUGSI-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C#CCCCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000132311063 591700264 /nfs/dbraw/zinc/70/02/64/591700264.db2.gz AACLWDSHLBGLBH-SNVBAGLBSA-N 1 0 217.334 0.813 20 30 BCEDRO CCCCCCNC(=[NH2+])NC[C@@H](C)O ZINC000132378317 591705948 /nfs/dbraw/zinc/70/59/48/591705948.db2.gz AGCGNHQQQSCDSF-SECBINFHSA-N 1 0 201.314 0.852 20 30 BCEDRO C#CC1(F)CN(C(=O)NC[C@H](C)[NH+](C)C)C1 ZINC000883729178 591729328 /nfs/dbraw/zinc/72/93/28/591729328.db2.gz KTSNOSCQUFUPHT-VIFPVBQESA-N 1 0 227.283 0.303 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883896329 591764720 /nfs/dbraw/zinc/76/47/20/591764720.db2.gz NMFDPUAAXNNCKF-QWRGUYRKSA-N 1 0 241.335 0.317 20 30 BCEDRO N#Cc1ccc(C(=O)N2CCC[C@@H]([NH3+])C2)[nH]1 ZINC000884005094 591792744 /nfs/dbraw/zinc/79/27/44/591792744.db2.gz TYEUXVLWQZPYNU-MRVPVSSYSA-N 1 0 218.260 0.450 20 30 BCEDRO C[NH2+]C[C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000884006447 591793815 /nfs/dbraw/zinc/79/38/15/591793815.db2.gz RIZLANXCHBDCAD-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO N#Cc1ccc(C(=O)NC2CC[NH2+]CC2)[nH]1 ZINC000884005669 591793939 /nfs/dbraw/zinc/79/39/39/591793939.db2.gz PXIYXFXQCQAVED-UHFFFAOYSA-N 1 0 218.260 0.368 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)NC2CC2)C1 ZINC000884007657 591794237 /nfs/dbraw/zinc/79/42/37/591794237.db2.gz JCDHHUBIURKOFW-NSHDSACASA-N 1 0 221.304 0.546 20 30 BCEDRO CC(C)C[C@H](C[NH3+])NC(=O)c1ccc(C#N)[nH]1 ZINC000884033292 591816120 /nfs/dbraw/zinc/81/61/20/591816120.db2.gz LHHUCRCNFQTKLF-SNVBAGLBSA-N 1 0 234.303 0.990 20 30 BCEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@H]1[NH3+] ZINC000884032720 591816358 /nfs/dbraw/zinc/81/63/58/591816358.db2.gz ANSOCPVXWKXPPE-PSASIEDQSA-N 1 0 232.287 0.696 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H](C[NH3+])C2CC2)[nH]1 ZINC000884036665 591819169 /nfs/dbraw/zinc/81/91/69/591819169.db2.gz BINGKISWQRXYTI-SNVBAGLBSA-N 1 0 218.260 0.353 20 30 BCEDRO CC(C)CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884046505 591825919 /nfs/dbraw/zinc/82/59/19/591825919.db2.gz HXAHHMMSXNIUEH-QWKFWESOSA-N 1 0 235.331 0.898 20 30 BCEDRO C=CCN(C)CCS(=O)(=O)C(C)C ZINC000133837542 591862696 /nfs/dbraw/zinc/86/26/96/591862696.db2.gz JAKTUOKSDPCFCI-UHFFFAOYSA-N 1 0 205.323 0.927 20 30 BCEDRO C=CCN(CC(=O)OCC)CC1(CO)COC1 ZINC000133950066 591870651 /nfs/dbraw/zinc/87/06/51/591870651.db2.gz YDSZSWONPZMTKY-UHFFFAOYSA-N 1 0 243.303 0.046 20 30 BCEDRO C[NH2+]CCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC000884242939 591879483 /nfs/dbraw/zinc/87/94/83/591879483.db2.gz OMIVRZLVOLYTOP-UHFFFAOYSA-N 1 0 206.249 0.178 20 30 BCEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@H](C)C[NH2+]1 ZINC000884244493 591880335 /nfs/dbraw/zinc/88/03/35/591880335.db2.gz GHRVXULUJVDHFI-RKDXNWHRSA-N 1 0 232.287 0.709 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)nc1 ZINC000884249971 591884043 /nfs/dbraw/zinc/88/40/43/591884043.db2.gz VEWSSCMCVQDUEI-KOLCDFICSA-N 1 0 230.271 0.231 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)[nH]1 ZINC000884250494 591884151 /nfs/dbraw/zinc/88/41/51/591884151.db2.gz GDCHKQSNHLCNHR-CYBMUJFWSA-N 1 0 244.298 0.712 20 30 BCEDRO Cc1coc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000884250736 591884261 /nfs/dbraw/zinc/88/42/61/591884261.db2.gz MOCXWDOBFXACPM-RKDXNWHRSA-N 1 0 219.244 0.429 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884254536 591885647 /nfs/dbraw/zinc/88/56/47/591885647.db2.gz NMSQYUGQXIVTIO-GZMMTYOYSA-N 1 0 232.287 0.614 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[NH2+]CC2)[nH]1 ZINC000884265680 591888127 /nfs/dbraw/zinc/88/81/27/591888127.db2.gz QJFUNAXHFYLMAJ-SECBINFHSA-N 1 0 232.287 0.758 20 30 BCEDRO CC1([NH3+])CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000884266647 591888656 /nfs/dbraw/zinc/88/86/56/591888656.db2.gz CPLFSVBDDWWFDO-UHFFFAOYSA-N 1 0 232.287 0.840 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[NH2+]1 ZINC000884274618 591890100 /nfs/dbraw/zinc/89/01/00/591890100.db2.gz QLVPGIPPWRAFGM-RKDXNWHRSA-N 1 0 232.287 0.757 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)N[C@@H](C)C#C)C1 ZINC000884275171 591890687 /nfs/dbraw/zinc/89/06/87/591890687.db2.gz FICAFLBFUZFOKE-RYUDHWBXSA-N 1 0 233.315 0.405 20 30 BCEDRO C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH3+] ZINC000884341193 591906974 /nfs/dbraw/zinc/90/69/74/591906974.db2.gz UJMJQDWSUUBKRD-NXEZZACHSA-N 1 0 246.314 0.943 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2C[C@H]([NH3+])C2(C)C)nn1 ZINC000884360838 591914485 /nfs/dbraw/zinc/91/44/85/591914485.db2.gz HSFROMYVVACGII-VHSXEESVSA-N 1 0 249.318 0.320 20 30 BCEDRO CC1(C)[C@H](NC(=O)C#CC2CC2)C[C@@H]1[NH3+] ZINC000884363734 591916424 /nfs/dbraw/zinc/91/64/24/591916424.db2.gz HXHZUKCXWBETLY-VHSXEESVSA-N 1 0 206.289 0.642 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000884368680 591917888 /nfs/dbraw/zinc/91/78/88/591917888.db2.gz FOAKYBKCSOHCHW-SRVKXCTJSA-N 1 0 238.331 0.821 20 30 BCEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N1CCCCN1)C2 ZINC000884379733 591920953 /nfs/dbraw/zinc/92/09/53/591920953.db2.gz HWSYOOFSYDJSGA-AKJDGMEZSA-N 1 0 248.330 0.253 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884434745 591933347 /nfs/dbraw/zinc/93/33/47/591933347.db2.gz WEULJYBJYUOLOU-VHSXEESVSA-N 1 0 232.287 0.757 20 30 BCEDRO C[C@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[NH2+]1 ZINC000884437630 591933956 /nfs/dbraw/zinc/93/39/56/591933956.db2.gz KBIYRSKOYLXUDU-WCBMZHEXSA-N 1 0 232.287 0.757 20 30 BCEDRO CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000884461675 591937299 /nfs/dbraw/zinc/93/72/99/591937299.db2.gz KXMBKQNOCFYZGZ-GUBZILKMSA-N 1 0 225.292 0.111 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2CCc3cccnc32)N1 ZINC000884447603 591937313 /nfs/dbraw/zinc/93/73/13/591937313.db2.gz DHWHHSUGBWEKQL-MRVPVSSYSA-N 1 0 229.287 0.669 20 30 BCEDRO CO[C@@H](C[NH3+])C(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000884461674 591937548 /nfs/dbraw/zinc/93/75/48/591937548.db2.gz KXMBKQNOCFYZGZ-BBBLOLIVSA-N 1 0 225.292 0.111 20 30 BCEDRO N#Cc1ccc(C(=O)N2C3CCC2(C[NH3+])CC3)[nH]1 ZINC000884461226 591940971 /nfs/dbraw/zinc/94/09/71/591940971.db2.gz YQBAJEAFRRANQR-UHFFFAOYSA-N 1 0 244.298 0.982 20 30 BCEDRO Cc1cc(C)c(C#N)c(NCC[N@H+](C)CCO)n1 ZINC000884824401 592021712 /nfs/dbraw/zinc/02/17/12/592021712.db2.gz YEYYNBRULLQGMX-UHFFFAOYSA-N 1 0 248.330 0.906 20 30 BCEDRO C=CCCN(C)C(=O)C(=O)NCCC(C)(C)[NH3+] ZINC000885196575 592056900 /nfs/dbraw/zinc/05/69/00/592056900.db2.gz FPRPTNWGFJSQMH-UHFFFAOYSA-N 1 0 241.335 0.265 20 30 BCEDRO COC(=O)CN(C)C[C@@H](O)CC1(C#N)CCC1 ZINC000885937682 592110646 /nfs/dbraw/zinc/11/06/46/592110646.db2.gz HMLFODYHVSKHKO-JTQLQIEISA-N 1 0 240.303 0.536 20 30 BCEDRO CC[N@H+](CCO)C[C@@H](O)CC1(C#N)CCC1 ZINC000885985540 592121917 /nfs/dbraw/zinc/12/19/17/592121917.db2.gz KLDFSYOSPBEYMC-NSHDSACASA-N 1 0 226.320 0.745 20 30 BCEDRO CC[N@H+](CCO)C[C@H](O)CC1(C#N)CCC1 ZINC000885985539 592122157 /nfs/dbraw/zinc/12/21/57/592122157.db2.gz KLDFSYOSPBEYMC-LLVKDONJSA-N 1 0 226.320 0.745 20 30 BCEDRO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H](CO)C2)CCC1 ZINC000886019175 592133452 /nfs/dbraw/zinc/13/34/52/592133452.db2.gz MZNCKLQSLAWIAM-NEPJUHHUSA-N 1 0 238.331 0.745 20 30 BCEDRO C[C@H](O)C[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886021084 592134247 /nfs/dbraw/zinc/13/42/47/592134247.db2.gz OSHBJNJSTVSFMM-WDEREUQCSA-N 1 0 226.320 0.744 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H]1C[C@]12CCOC2 ZINC000886028797 592135261 /nfs/dbraw/zinc/13/52/61/592135261.db2.gz XHSXEMCDGRLCNB-STQMWFEESA-N 1 0 203.285 0.981 20 30 BCEDRO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886094837 592147692 /nfs/dbraw/zinc/14/76/92/592147692.db2.gz ZZOVFQOKJKEIQF-WOPDTQHZSA-N 1 0 238.331 0.886 20 30 BCEDRO Cc1coc(C[NH2+]CCn2cnc(C#N)n2)c1 ZINC000886114439 592156345 /nfs/dbraw/zinc/15/63/45/592156345.db2.gz PDQLXXJNWZTMOB-UHFFFAOYSA-N 1 0 231.259 0.841 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1[nH]nc(C)c1C ZINC000886120884 592157835 /nfs/dbraw/zinc/15/78/35/592157835.db2.gz PTKYBJLXZNXKHG-JTQLQIEISA-N 1 0 207.277 0.500 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886166273 592168091 /nfs/dbraw/zinc/16/80/91/592168091.db2.gz DMUAIHUWXDMSNO-LLVKDONJSA-N 1 0 206.289 0.996 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cc(C)nn2C)C1 ZINC000886209829 592176765 /nfs/dbraw/zinc/17/67/65/592176765.db2.gz WDQQFEFOPXWWQZ-CYBMUJFWSA-N 1 0 246.358 0.916 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2c[nH]nc2C)C1 ZINC000886212835 592177195 /nfs/dbraw/zinc/17/71/95/592177195.db2.gz GQYLLTMRTDSRRS-CYBMUJFWSA-N 1 0 232.331 0.905 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccc(CO)o2)C1 ZINC000886211235 592177399 /nfs/dbraw/zinc/17/73/99/592177399.db2.gz LLNPVNGCEXFATN-GFCCVEGCSA-N 1 0 248.326 0.959 20 30 BCEDRO C[C@@](O)(C[N@@H+]1CC[C@@](O)(CC#N)C1)C(F)F ZINC000886265402 592189926 /nfs/dbraw/zinc/18/99/26/592189926.db2.gz HWIOLUQDBXBLDH-ZJUUUORDSA-N 1 0 234.246 0.353 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](C[C@@H]2C[C@]23CCOC3)C1 ZINC000886265598 592190291 /nfs/dbraw/zinc/19/02/91/592190291.db2.gz MENBQOVUVTXHQH-AVGNSLFASA-N 1 0 236.315 0.763 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@H+]2CC=C[C@@H]2CO)CCC1 ZINC000886317962 592207854 /nfs/dbraw/zinc/20/78/54/592207854.db2.gz FZZZOVTYIRTRGN-VXGBXAGGSA-N 1 0 236.315 0.664 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000886353087 592214876 /nfs/dbraw/zinc/21/48/76/592214876.db2.gz BGCPHYCWRIZZJA-VHSXEESVSA-N 1 0 237.303 0.176 20 30 BCEDRO 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/nfs/dbraw/zinc/25/66/11/631256611.db2.gz SVDYBGBBUKYALB-UHFFFAOYSA-N 1 0 240.351 0.061 20 30 BCEDRO C=CCNC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000891438333 631260682 /nfs/dbraw/zinc/26/06/82/631260682.db2.gz KCOOKAZCVKQMGB-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000971503094 631282411 /nfs/dbraw/zinc/28/24/11/631282411.db2.gz ZHNAJJVPXWLYPV-JTQLQIEISA-N 1 0 234.303 0.742 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001022053647 631306861 /nfs/dbraw/zinc/30/68/61/631306861.db2.gz QXBXLZSZMJFNMP-AOOOYVTPSA-N 1 0 249.318 0.078 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2nn(C)cc2C)C1 ZINC001022064260 631325127 /nfs/dbraw/zinc/32/51/27/631325127.db2.gz BVDPQRYHCAGNMC-PHIMTYICSA-N 1 0 248.330 0.765 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000891569264 631393689 /nfs/dbraw/zinc/39/36/89/631393689.db2.gz QTLXSMXUNGBTEQ-GHMZBOCLSA-N 1 0 221.304 0.498 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@H]1C[C@@H]1C ZINC000308655272 631468197 /nfs/dbraw/zinc/46/81/97/631468197.db2.gz NSKQCPMPEBEPHQ-VHSXEESVSA-N 1 0 217.334 0.833 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000308799605 631475687 /nfs/dbraw/zinc/47/56/87/631475687.db2.gz MBXKTABWMFPHTK-GMTAPVOTSA-N 1 0 212.293 0.618 20 30 BCEDRO CC#CCC[N@@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933700097 631490232 /nfs/dbraw/zinc/49/02/32/631490232.db2.gz NBRYJWCXAUJHEW-MNOVXSKESA-N 1 0 244.360 0.256 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001022436522 631556074 /nfs/dbraw/zinc/55/60/74/631556074.db2.gz LNTWNDOVQRHVAW-TXEJJXNPSA-N 1 0 248.330 0.614 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cncn2C)C1 ZINC000971875274 631573184 /nfs/dbraw/zinc/57/31/84/631573184.db2.gz KWSBPVSKMIZTRO-NSHDSACASA-N 1 0 248.330 0.752 20 30 BCEDRO N#CC1(C[C@H](O)C[N@H+]2CC[C@H]2CO)CC1 ZINC000934014172 631595955 /nfs/dbraw/zinc/59/59/55/631595955.db2.gz ZKGPUCLLPNWRSE-UWVGGRQHSA-N 1 0 210.277 0.108 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cccnc2)C1 ZINC001028362746 635660095 /nfs/dbraw/zinc/66/00/95/635660095.db2.gz RYHKUACMHJFZAU-GFCCVEGCSA-N 1 0 243.310 0.767 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ccccn2)C1 ZINC001028363403 635662726 /nfs/dbraw/zinc/66/27/26/635662726.db2.gz RRGMWLMZWUOGPD-GFCCVEGCSA-N 1 0 243.310 0.767 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2cnn(C)c2)C1 ZINC001028395460 635665972 /nfs/dbraw/zinc/66/59/72/635665972.db2.gz OFHMTDPMROMCBB-LLVKDONJSA-N 1 0 248.330 0.658 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cocn2)C1 ZINC001028434245 635671047 /nfs/dbraw/zinc/67/10/47/635671047.db2.gz QWRMBCCPGJDACW-JTQLQIEISA-N 1 0 233.271 0.360 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](CNC(=O)c2cocn2)C1 ZINC001028445599 635676260 /nfs/dbraw/zinc/67/62/60/635676260.db2.gz SAKUAKJWYUTELQ-NSHDSACASA-N 1 0 247.298 0.750 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001022526870 631660738 /nfs/dbraw/zinc/66/07/38/631660738.db2.gz JFAAYBPCWBNTLA-DTORHVGOSA-N 1 0 235.291 0.150 20 30 BCEDRO C#C[C@H]([NH2+]C1CCOCC1)[C@H]1CCCO1 ZINC000308824167 631671951 /nfs/dbraw/zinc/67/19/51/631671951.db2.gz HMJASXBXRPSDFX-NWDGAFQWSA-N 1 0 209.289 0.936 20 30 BCEDRO CN1CC[C@@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000308914261 631721668 /nfs/dbraw/zinc/72/16/68/631721668.db2.gz FKNUEQOWQCPAFO-MRVPVSSYSA-N 1 0 222.317 0.808 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnc(C)n2C)C1 ZINC001022601697 631726122 /nfs/dbraw/zinc/72/61/22/631726122.db2.gz VIGYCSFLQKKCJQ-PHIMTYICSA-N 1 0 246.314 0.212 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2C[C@@H]2C)C1 ZINC001022657862 631742569 /nfs/dbraw/zinc/74/25/69/631742569.db2.gz VKXZEYDUVRJWBZ-FIQHERPVSA-N 1 0 220.316 0.903 20 30 BCEDRO C#C[C@H]([NH2+]CCCCCO)[C@@H]1CCCO1 ZINC000308934442 631745904 /nfs/dbraw/zinc/74/59/04/631745904.db2.gz NQUHHNDLMUIYIA-RYUDHWBXSA-N 1 0 211.305 0.919 20 30 BCEDRO C#CCN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934254299 631749288 /nfs/dbraw/zinc/74/92/88/631749288.db2.gz JBWDSBGWYAPYCQ-VXGBXAGGSA-N 1 0 208.305 0.151 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC000972090477 631762295 /nfs/dbraw/zinc/76/22/95/631762295.db2.gz KSLKAXQZYTWGTI-IJLUTSLNSA-N 1 0 220.316 0.808 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892197105 631776734 /nfs/dbraw/zinc/77/67/34/631776734.db2.gz WJENMBZUORDEEB-UKKRHICBSA-N 1 0 236.319 0.715 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)C1CCCC1 ZINC000309010502 631797549 /nfs/dbraw/zinc/79/75/49/631797549.db2.gz RRXPFPTYZSACBZ-JTQLQIEISA-N 1 0 208.305 0.904 20 30 BCEDRO C#CCCC[NH2+][C@H]1CCN(CCOC)C1 ZINC000309037311 631808418 /nfs/dbraw/zinc/80/84/18/631808418.db2.gz IYVQJZSPRALBPU-LBPRGKRZSA-N 1 0 210.321 0.710 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934393540 631819343 /nfs/dbraw/zinc/81/93/43/631819343.db2.gz YQOVUCRRRVHVRC-GHMZBOCLSA-N 1 0 224.304 0.952 20 30 BCEDRO C[C@H](C#N)CN(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309058830 631833623 /nfs/dbraw/zinc/83/36/23/631833623.db2.gz HBWUKXBOBIEOJQ-VXGBXAGGSA-N 1 0 225.336 0.535 20 30 BCEDRO COC[C@@H](O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000309078489 631837884 /nfs/dbraw/zinc/83/78/84/631837884.db2.gz NEBDMBIXRAKSRZ-VWYCJHECSA-N 1 0 212.293 0.666 20 30 BCEDRO C#CC1(O)CN(CC[NH+]2C[C@@H](C)C[C@H](C)C2)C1 ZINC000934450937 631841365 /nfs/dbraw/zinc/84/13/65/631841365.db2.gz WMGKQIXETFJLOT-STQMWFEESA-N 1 0 236.359 0.644 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000934460428 631845225 /nfs/dbraw/zinc/84/52/25/631845225.db2.gz IPYHLCNUBJWYDB-GXSJLCMTSA-N 1 0 213.277 0.561 20 30 BCEDRO C=CC[C@H]1CC[N@@H+]1CCN1CCOCC1 ZINC000934458931 631848210 /nfs/dbraw/zinc/84/82/10/631848210.db2.gz GERSZQAFQPMFMX-LBPRGKRZSA-N 1 0 210.321 0.969 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000934459659 631849704 /nfs/dbraw/zinc/84/97/04/631849704.db2.gz KWNBZUXDWUCGCW-LLVKDONJSA-N 1 0 244.360 0.528 20 30 BCEDRO C=CC[C@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC000934461433 631857702 /nfs/dbraw/zinc/85/77/02/631857702.db2.gz RDQAQEDXXIMMKM-JTQLQIEISA-N 1 0 222.288 0.786 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](O)C1(O)CCOCC1 ZINC000934461850 631858146 /nfs/dbraw/zinc/85/81/46/631858146.db2.gz NZYBSWDZEDTDCX-VXGBXAGGSA-N 1 0 241.331 0.539 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCNS(=O)(=O)CC ZINC000934468803 631860666 /nfs/dbraw/zinc/86/06/66/631860666.db2.gz JVCOMGAMZPIGQM-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](CO)C1 ZINC000308839041 631900174 /nfs/dbraw/zinc/90/01/74/631900174.db2.gz XVOXFUNWJHNONJ-QWRGUYRKSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+]1CC(=O)NCCC#N ZINC000934472778 631865615 /nfs/dbraw/zinc/86/56/15/631865615.db2.gz UQCFAONPZLRPHH-SNVBAGLBSA-N 1 0 207.277 0.667 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC000934473499 631866949 /nfs/dbraw/zinc/86/69/49/631866949.db2.gz WTVWVRXQEJKZNE-HTQZYQBOSA-N 1 0 211.265 0.220 20 30 BCEDRO C#C[C@@H]([NH2+]CC1(C)COC1)[C@@H]1CCCO1 ZINC000309117063 631888622 /nfs/dbraw/zinc/88/86/22/631888622.db2.gz LZFXCXRKIOLYJV-MNOVXSKESA-N 1 0 209.289 0.793 20 30 BCEDRO C#C[C@@H]1CCCCN1CCS(=O)(=O)NC ZINC000934515016 631896937 /nfs/dbraw/zinc/89/69/37/631896937.db2.gz FIQPFZLMPNCMLQ-SNVBAGLBSA-N 1 0 230.333 0.023 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1CCO ZINC000308862564 631977394 /nfs/dbraw/zinc/97/73/94/631977394.db2.gz KBGYYNGNJUPNLI-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO C=CCCC[N@@H+](CC)Cc1nc(=O)n(C)[nH]1 ZINC000934647336 632001743 /nfs/dbraw/zinc/00/17/43/632001743.db2.gz XFXYYFCSZLXYGK-UHFFFAOYSA-N 1 0 224.308 0.897 20 30 BCEDRO C=CCCC[N@@H+](CC)CC(=O)NCC(=O)OC ZINC000934648775 632002238 /nfs/dbraw/zinc/00/22/38/632002238.db2.gz DQFYYHNLWVQEBP-UHFFFAOYSA-N 1 0 242.319 0.564 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000972415531 632025714 /nfs/dbraw/zinc/02/57/14/632025714.db2.gz PTBXXAXTCYUEDP-LBPRGKRZSA-N 1 0 244.298 0.256 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001022889413 632032849 /nfs/dbraw/zinc/03/28/49/632032849.db2.gz GYRIUNSBXHGJLA-PHIMTYICSA-N 1 0 248.330 0.765 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2oncc2C)C1 ZINC001022922995 632059344 /nfs/dbraw/zinc/05/93/44/632059344.db2.gz RRESKSAAZALMLJ-AOOOYVTPSA-N 1 0 233.271 0.467 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(C)c2)C1 ZINC001028477223 635691643 /nfs/dbraw/zinc/69/16/43/635691643.db2.gz RLANFCQPCRXQLB-LBPRGKRZSA-N 1 0 245.326 0.710 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC001028482515 635693824 /nfs/dbraw/zinc/69/38/24/635693824.db2.gz MZRSYADHONAICQ-LLVKDONJSA-N 1 0 248.330 0.658 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2coc(C)n2)C1 ZINC001028491623 635695627 /nfs/dbraw/zinc/69/56/27/635695627.db2.gz DMUDDLCOFFBMKL-LLVKDONJSA-N 1 0 247.298 0.668 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)NCCCC#N)C1 ZINC000894131781 635700300 /nfs/dbraw/zinc/70/03/00/635700300.db2.gz XRCLGOSIZHBICJ-QWRGUYRKSA-N 1 0 236.319 0.636 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001022976805 632092322 /nfs/dbraw/zinc/09/23/22/632092322.db2.gz IZPIPXNPABZZOO-PHIMTYICSA-N 1 0 248.330 0.385 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@H]2C[C@@H]([NH2+]CC)C2)nc1 ZINC001022992579 632097839 /nfs/dbraw/zinc/09/78/39/632097839.db2.gz PLMAZENPYJMZGL-TXEJJXNPSA-N 1 0 243.310 0.933 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2ncn(C)n2)C1 ZINC001028510239 635710686 /nfs/dbraw/zinc/71/06/86/635710686.db2.gz DXMIBYOVIDKPDQ-SNVBAGLBSA-N 1 0 249.318 0.053 20 30 BCEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC#N ZINC000426416853 635711394 /nfs/dbraw/zinc/71/13/94/635711394.db2.gz MMTFKDOJCJFUFW-GXSJLCMTSA-N 1 0 236.319 0.682 20 30 BCEDRO C#CC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](C3CC3)C2)C1=O ZINC000924884375 635716100 /nfs/dbraw/zinc/71/61/00/635716100.db2.gz CDEVBLQZWCXURG-QWRGUYRKSA-N 1 0 247.298 0.167 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001023087275 632125561 /nfs/dbraw/zinc/12/55/61/632125561.db2.gz SJZLXNCIXGYSAA-AOOOYVTPSA-N 1 0 234.303 0.457 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001023090971 632127462 /nfs/dbraw/zinc/12/74/62/632127462.db2.gz CNAYWHGIPWQZSP-TXEJJXNPSA-N 1 0 246.314 0.062 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)c2cnco2)C1 ZINC001028717968 635806711 /nfs/dbraw/zinc/80/67/11/635806711.db2.gz ZICQXXDUDROJCX-SNVBAGLBSA-N 1 0 235.287 0.912 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CCO)C1 ZINC000226001963 632397431 /nfs/dbraw/zinc/39/74/31/632397431.db2.gz CQZUEIGSHSPROT-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO CNC(=O)C(C)(C)CNC(=[NH2+])NCCC(C)C ZINC000157371764 632428319 /nfs/dbraw/zinc/42/83/19/632428319.db2.gz IJHRNIKBRULGIB-UHFFFAOYSA-N 1 0 242.367 0.709 20 30 BCEDRO N#CCC[C@H](C#N)C[NH2+][C@H](CO)C1CC1 ZINC000308916959 632430866 /nfs/dbraw/zinc/43/08/66/632430866.db2.gz HTQBTAGETHLPCB-MWLCHTKSSA-N 1 0 207.277 0.790 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1 ZINC000309513257 632432263 /nfs/dbraw/zinc/43/22/63/632432263.db2.gz QHLKSCCWGPKNAG-CHWSQXEVSA-N 1 0 217.268 0.517 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](CO)[C@@H]1C ZINC000840561973 632462808 /nfs/dbraw/zinc/46/28/08/632462808.db2.gz ZGKSQOXYNNQQDX-RYUDHWBXSA-N 1 0 240.347 0.724 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457825 632465152 /nfs/dbraw/zinc/46/51/52/632465152.db2.gz ZRYSMLFLRLPGTK-SNVBAGLBSA-N 1 0 249.318 0.433 20 30 BCEDRO C#CCC[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000309527914 632467958 /nfs/dbraw/zinc/46/79/58/632467958.db2.gz COSWMBZQVHMXNY-NSHDSACASA-N 1 0 224.304 0.270 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cnnn1C ZINC000926544597 632472253 /nfs/dbraw/zinc/47/22/53/632472253.db2.gz CPJPURAEYDNDIE-VHSXEESVSA-N 1 0 224.308 0.793 20 30 BCEDRO C#C[C@@H](CC)[NH2+]C1CCS(=O)(=O)CC1 ZINC000229513554 632570231 /nfs/dbraw/zinc/57/02/31/632570231.db2.gz KBFAJBIERQRHLO-VIFPVBQESA-N 1 0 215.318 0.565 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C/C1CC1 ZINC000309623153 632586536 /nfs/dbraw/zinc/58/65/36/632586536.db2.gz IFFSVDMGHSFXOV-HIHHVFROSA-N 1 0 205.261 0.180 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C\C1CC1 ZINC000309623155 632587751 /nfs/dbraw/zinc/58/77/51/632587751.db2.gz IFFSVDMGHSFXOV-HWKXXFMVSA-N 1 0 205.261 0.180 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC000972685184 632605127 /nfs/dbraw/zinc/60/51/27/632605127.db2.gz SMORTVJMIQAHOE-LLVKDONJSA-N 1 0 247.298 0.763 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccsc1 ZINC000309653324 632618929 /nfs/dbraw/zinc/61/89/29/632618929.db2.gz UNYDRDALVUIFMK-RKDXNWHRSA-N 1 0 221.285 0.589 20 30 BCEDRO CC[NH2+]C[C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC001023895381 632630939 /nfs/dbraw/zinc/63/09/39/632630939.db2.gz NSPQRKPPBCABDT-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO COC[C@@H](O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309078482 632634435 /nfs/dbraw/zinc/63/44/35/632634435.db2.gz NEBDMBIXRAKSRZ-AXFHLTTASA-N 1 0 212.293 0.666 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H](NC(C)=O)C(C)(C)C1 ZINC000972720806 632645921 /nfs/dbraw/zinc/64/59/21/632645921.db2.gz HVHDUIBUEWBPFT-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(Cl)CNC(=O)NCc1cncn1C ZINC000290596715 632650045 /nfs/dbraw/zinc/65/00/45/632650045.db2.gz AGWZRFWMFCZMHF-UHFFFAOYSA-N 1 0 228.683 0.972 20 30 BCEDRO CCCCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000309845521 632675390 /nfs/dbraw/zinc/67/53/90/632675390.db2.gz SUHPDSQJUFDPBB-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2COC[C@H]2C)nn1 ZINC000926613356 632680663 /nfs/dbraw/zinc/68/06/63/632680663.db2.gz DYPNHDKMCCVXTG-MWLCHTKSSA-N 1 0 222.292 0.589 20 30 BCEDRO Cn1ncc(CNCc2cccc(C#N)c2)n1 ZINC000310207468 632708329 /nfs/dbraw/zinc/70/83/29/632708329.db2.gz CVQQMSPSTIRHOH-UHFFFAOYSA-N 1 0 227.271 0.977 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)Cc2cnoc2)CC1 ZINC000949810213 632714688 /nfs/dbraw/zinc/71/46/88/632714688.db2.gz KEZFMBGSSQDBMB-UHFFFAOYSA-N 1 0 249.314 0.937 20 30 BCEDRO C[C@@H](C#N)OCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000310470335 632746035 /nfs/dbraw/zinc/74/60/35/632746035.db2.gz BFESOJXLANHNJE-STQMWFEESA-N 1 0 237.347 0.943 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001028829661 635827451 /nfs/dbraw/zinc/82/74/51/635827451.db2.gz UXKWYWYHLAPPQE-NWDGAFQWSA-N 1 0 232.327 0.858 20 30 BCEDRO Cc1ccnc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000841183695 635833631 /nfs/dbraw/zinc/83/36/31/635833631.db2.gz WUZVNJWGHOZZTC-UWVGGRQHSA-N 1 0 245.286 0.623 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2nccs2)C1 ZINC001028888135 635844425 /nfs/dbraw/zinc/84/44/25/635844425.db2.gz XBAZDDJLZBPRPM-JTQLQIEISA-N 1 0 249.339 0.828 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cnon2)C1 ZINC001028883206 635844576 /nfs/dbraw/zinc/84/45/76/635844576.db2.gz NBDKRPPPGKCMEZ-JTQLQIEISA-N 1 0 248.286 0.145 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2nocc2C)C1 ZINC001028914279 635849426 /nfs/dbraw/zinc/84/94/26/635849426.db2.gz QKCWRHOQEZJAAY-LLVKDONJSA-N 1 0 247.298 0.668 20 30 BCEDRO C=CCNC(=O)C[NH2+]C(C)(C)CC(=O)OC ZINC000177923703 632907062 /nfs/dbraw/zinc/90/70/62/632907062.db2.gz WIQAWLDHISJQHL-UHFFFAOYSA-N 1 0 228.292 0.220 20 30 BCEDRO C#C[C@H]([NH2+]CCCNC(C)=O)[C@H]1CCCO1 ZINC000309318474 632930801 /nfs/dbraw/zinc/93/08/01/632930801.db2.gz DPOQJARXZRGGQI-NWDGAFQWSA-N 1 0 224.304 0.283 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+]CCCCO)cc1 ZINC000236498538 632952481 /nfs/dbraw/zinc/95/24/81/632952481.db2.gz UTKLANVYDJSVFW-ZDUSSCGKSA-N 1 0 234.299 0.954 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)c1cccc(C#N)c1 ZINC000309365026 632975979 /nfs/dbraw/zinc/97/59/79/632975979.db2.gz AGEXDQGGEHZITG-SECBINFHSA-N 1 0 217.272 0.977 20 30 BCEDRO C#CCCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000229682081 632986574 /nfs/dbraw/zinc/98/65/74/632986574.db2.gz AJFZXAWXMMITMD-GFCCVEGCSA-N 1 0 221.304 0.637 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928427607 635905394 /nfs/dbraw/zinc/90/53/94/635905394.db2.gz KDWZSCIJTADEMA-RYUDHWBXSA-N 1 0 239.363 0.703 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](COCC)C(C)C ZINC000309459120 633091392 /nfs/dbraw/zinc/09/13/92/633091392.db2.gz NJGIZIWSHPAVGJ-NSHDSACASA-N 1 0 226.320 0.387 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001018593734 633101693 /nfs/dbraw/zinc/10/16/93/633101693.db2.gz QPCJMEPHMXJPCU-QWRGUYRKSA-N 1 0 224.304 0.399 20 30 BCEDRO Cc1nsc(NC[C@@H](O)C[NH+](C)C)c1C#N ZINC000309494795 633179062 /nfs/dbraw/zinc/17/90/62/633179062.db2.gz YBVPNYDHLRVSLH-MRVPVSSYSA-N 1 0 240.332 0.658 20 30 BCEDRO C#CCCNC(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000926833702 633180697 /nfs/dbraw/zinc/18/06/97/633180697.db2.gz BPEGZNBREWRPDQ-NSHDSACASA-N 1 0 241.335 0.276 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H]1CCCOC1 ZINC000327982107 633199903 /nfs/dbraw/zinc/19/99/03/633199903.db2.gz JAGPIBWYQOQHIW-LBPRGKRZSA-N 1 0 210.321 0.710 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccoc1 ZINC000309635625 633215428 /nfs/dbraw/zinc/21/54/28/633215428.db2.gz MIWVGDKKILRSHD-BDAKNGLRSA-N 1 0 205.217 0.121 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C1CCN(C=O)CC1 ZINC000894769101 635923941 /nfs/dbraw/zinc/92/39/41/635923941.db2.gz KJQFHHXPTBSZFT-GFCCVEGCSA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)n2C)CC[N@@H+]1C ZINC000928434332 635927898 /nfs/dbraw/zinc/92/78/98/635927898.db2.gz PIQDJWHFMAPBSM-ONGXEEELSA-N 1 0 246.314 0.719 20 30 BCEDRO C#CCN(C)CCC[NH2+]Cc1cncn1C ZINC000328056355 633227097 /nfs/dbraw/zinc/22/70/97/633227097.db2.gz AMXDHFZPQIDRHK-UHFFFAOYSA-N 1 0 220.320 0.465 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)c2ccnc(C#N)c2)CC[N@@H+]1C ZINC000928439025 635933995 /nfs/dbraw/zinc/93/39/95/635933995.db2.gz VYPQGIVMMWDGAQ-CABZTGNLSA-N 1 0 244.298 0.776 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)CCCC#N)CC[N@@H+]1C ZINC000928438436 635934754 /nfs/dbraw/zinc/93/47/54/635934754.db2.gz ZXKRQVPTIRCSRI-ZJUUUORDSA-N 1 0 209.293 0.889 20 30 BCEDRO CCN(CC)C(=[NH2+])NC[C@H]1CCCS1(=O)=O ZINC000305074424 635949690 /nfs/dbraw/zinc/94/96/90/635949690.db2.gz MXUGMLKMRUMPJB-SECBINFHSA-N 1 0 247.364 0.220 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](CC(N)=O)C1CCCC1 ZINC000305954411 635956407 /nfs/dbraw/zinc/95/64/07/635956407.db2.gz APPRAZYMHPTXPU-SNVBAGLBSA-N 1 0 239.319 0.645 20 30 BCEDRO CC/[NH+]=C(/N(C)C)N1CCC[C@H](CC(N)=O)C1 ZINC000428745365 636026165 /nfs/dbraw/zinc/02/61/65/636026165.db2.gz BQOXRCZNLVRBEY-XUXSRRMHSA-N 1 0 240.351 0.511 20 30 BCEDRO CCOC(=O)[C@H]1CCCN(C(=[NH2+])NC)C1 ZINC000072592416 636029852 /nfs/dbraw/zinc/02/98/52/636029852.db2.gz NWVVYKSRICJCOX-QMMMGPOBSA-N 1 0 213.281 0.206 20 30 BCEDRO CS[C@@H]1CC[C@H]1[NH2+][C@H]1CCCN(O)C1=O ZINC000895157429 636099724 /nfs/dbraw/zinc/09/97/24/636099724.db2.gz CHWQTTVIIOAKQC-HRDYMLBCSA-N 1 0 230.333 0.850 20 30 BCEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CS1 ZINC000895158450 636101026 /nfs/dbraw/zinc/10/10/26/636101026.db2.gz IXDSOIUMSJJESC-HLTSFMKQSA-N 1 0 230.333 0.850 20 30 BCEDRO O=C1[C@H]([NH2+][C@@H]2CCSC2)CCCN1O ZINC000895163589 636108474 /nfs/dbraw/zinc/10/84/74/636108474.db2.gz WDEJAPBRIXWORI-HTQZYQBOSA-N 1 0 216.306 0.462 20 30 BCEDRO O=C1[C@@H]([NH2+]C2CCSCC2)CCCN1O ZINC000895163364 636108690 /nfs/dbraw/zinc/10/86/90/636108690.db2.gz TYUZZTHXKMDIJJ-VIFPVBQESA-N 1 0 230.333 0.852 20 30 BCEDRO C#C[C@H]1COCCN1CCC(OC)OC ZINC000852161127 633727028 /nfs/dbraw/zinc/72/70/28/633727028.db2.gz FRPFCWXAMXFMAN-JTQLQIEISA-N 1 0 213.277 0.329 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C ZINC001025664681 633740382 /nfs/dbraw/zinc/74/03/82/633740382.db2.gz QYGVGDSGBDDLQB-OBPIAQAESA-N 1 0 232.327 0.712 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)c2cnnn2C)C1 ZINC000926869765 633748180 /nfs/dbraw/zinc/74/81/80/633748180.db2.gz YJEQKFWXXKNAJL-VXGBXAGGSA-N 1 0 247.346 0.563 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CCCCO ZINC000309802602 633755521 /nfs/dbraw/zinc/75/55/21/633755521.db2.gz WVKGZXCKHARWCK-LLVKDONJSA-N 1 0 249.376 0.728 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@H](C)C1 ZINC001025823747 633781254 /nfs/dbraw/zinc/78/12/54/633781254.db2.gz CITXUUKCZRYRSO-FHUSYTEZSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cccn2CC)C1 ZINC001019776076 633790358 /nfs/dbraw/zinc/79/03/58/633790358.db2.gz VCQWRUZLSPRBIW-LBPRGKRZSA-N 1 0 245.326 0.945 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001019997758 633802238 /nfs/dbraw/zinc/80/22/38/633802238.db2.gz VEQIJLXISHMQKG-IJLUTSLNSA-N 1 0 248.330 0.867 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001020029144 633805922 /nfs/dbraw/zinc/80/59/22/633805922.db2.gz WDWZWMYWFAFGLR-MGCOHNPYSA-N 1 0 232.287 0.202 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001020018241 633806587 /nfs/dbraw/zinc/80/65/87/633806587.db2.gz VKIDSJHWIIHTRG-IJLUTSLNSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CO[C@H](C)C2)C1 ZINC001020319852 633815105 /nfs/dbraw/zinc/81/51/05/633815105.db2.gz XXSKBJYKSIPBFZ-DDHJBXDOSA-N 1 0 238.331 0.834 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CO[C@@H](C)C2)C1 ZINC001020318245 633815598 /nfs/dbraw/zinc/81/55/98/633815598.db2.gz HUOSELRBNUGMCX-USZNOCQGSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@H]1C ZINC001026008483 633830579 /nfs/dbraw/zinc/83/05/79/633830579.db2.gz PHJNJCCMPDMEAW-MOWSAHLDSA-N 1 0 232.327 0.712 20 30 BCEDRO CCCCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000309845519 633834166 /nfs/dbraw/zinc/83/41/66/633834166.db2.gz SUHPDSQJUFDPBB-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCC[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001007759081 633834552 /nfs/dbraw/zinc/83/45/52/633834552.db2.gz JHWLZOCOWDWAQD-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C#CCCCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000925525430 633900965 /nfs/dbraw/zinc/90/09/65/633900965.db2.gz ATXJENGIZZEXQY-SNVBAGLBSA-N 1 0 208.305 0.904 20 30 BCEDRO C#C[C@@H]([NH2+]CCn1cccn1)[C@@H]1CCCO1 ZINC000309582300 633958654 /nfs/dbraw/zinc/95/86/54/633958654.db2.gz SYYGIXUJARRLLR-NEPJUHHUSA-N 1 0 219.288 0.654 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000895490367 636151331 /nfs/dbraw/zinc/15/13/31/636151331.db2.gz NUEGAFHLNQHCPD-YPMHNXCESA-N 1 0 248.326 0.995 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947679069 634082468 /nfs/dbraw/zinc/08/24/68/634082468.db2.gz DZSCNTNCHQAZIC-ZJUUUORDSA-N 1 0 239.319 0.017 20 30 BCEDRO CC[C@@H](CO)NC(=[NH2+])N1CCC[C@H](C)C1 ZINC000187141664 634096856 /nfs/dbraw/zinc/09/68/56/634096856.db2.gz CNUXQMZCUFWHNR-UWVGGRQHSA-N 1 0 213.325 0.804 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000930884599 634152289 /nfs/dbraw/zinc/15/22/89/634152289.db2.gz GEULZRKFWSJVCE-VXGBXAGGSA-N 1 0 223.316 0.608 20 30 BCEDRO C=CC[N@H+](C[C@@H](O)C1(O)CCC1)[C@H](C)COC ZINC000930931780 634183026 /nfs/dbraw/zinc/18/30/26/634183026.db2.gz ATCCTTBPWLYTOW-VXGBXAGGSA-N 1 0 243.347 0.785 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001027735957 635129215 /nfs/dbraw/zinc/12/92/15/635129215.db2.gz BOGWTULXTSWSRM-RYUDHWBXSA-N 1 0 236.315 0.379 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001027765141 635138921 /nfs/dbraw/zinc/13/89/21/635138921.db2.gz LNZRVTDDEKZYFR-GFCCVEGCSA-N 1 0 246.314 0.627 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001027770610 635141863 /nfs/dbraw/zinc/14/18/63/635141863.db2.gz XLQJEXDQESKOQX-NSHDSACASA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccnn1C ZINC001027783361 635150235 /nfs/dbraw/zinc/15/02/35/635150235.db2.gz WJFWUTVMPUIFRB-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010034803 635167743 /nfs/dbraw/zinc/16/77/43/635167743.db2.gz XMIXGHKKIIVYTG-GFCCVEGCSA-N 1 0 247.298 0.310 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000980391970 635217159 /nfs/dbraw/zinc/21/71/59/635217159.db2.gz ULEJSEBEGUGFSZ-LLVKDONJSA-N 1 0 246.314 0.200 20 30 BCEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cncn1C ZINC001028004903 635299686 /nfs/dbraw/zinc/29/96/86/635299686.db2.gz WQFWEYYLBCAMAX-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000980940865 635304556 /nfs/dbraw/zinc/30/45/56/635304556.db2.gz NXTRILLZEHVNHH-NEPJUHHUSA-N 1 0 246.314 0.674 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC000980940867 635305378 /nfs/dbraw/zinc/30/53/78/635305378.db2.gz NXTRILLZEHVNHH-RYUDHWBXSA-N 1 0 246.314 0.674 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000981188628 635325536 /nfs/dbraw/zinc/32/55/36/635325536.db2.gz XDKTUGCXTZLWBO-NXEZZACHSA-N 1 0 247.302 0.069 20 30 BCEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001028064146 635343000 /nfs/dbraw/zinc/34/30/00/635343000.db2.gz DMBZVFUJNMZYAP-JTQLQIEISA-N 1 0 249.318 0.493 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC000981304358 635356607 /nfs/dbraw/zinc/35/66/07/635356607.db2.gz QSTKGMUIHQTMIH-NXEZZACHSA-N 1 0 239.319 0.065 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)c2cncnc2)C1 ZINC001028492927 635694938 /nfs/dbraw/zinc/69/49/38/635694938.db2.gz DVRIQCFODURERI-LLVKDONJSA-N 1 0 246.314 0.714 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028650220 635769645 /nfs/dbraw/zinc/76/96/45/635769645.db2.gz VTGXHMUOLLANOH-JTQLQIEISA-N 1 0 249.318 0.433 20 30 BCEDRO Cn1ccnc1CNC(=[NH2+])NCC1CCC1 ZINC000262007245 635885913 /nfs/dbraw/zinc/88/59/13/635885913.db2.gz RXKFNMCTMLGXMB-UHFFFAOYSA-N 1 0 221.308 0.625 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)CC(C)(C)O)CC1 ZINC000928653450 636270090 /nfs/dbraw/zinc/27/00/90/636270090.db2.gz MQCWJVSFFVDKHK-UHFFFAOYSA-N 1 0 238.331 0.361 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000841914109 636301070 /nfs/dbraw/zinc/30/10/70/636301070.db2.gz YSEBNKGIPIVHGJ-OUAUKWLOSA-N 1 0 239.319 0.791 20 30 BCEDRO CCNC(NCCC(=O)OC(C)C)=[NH+]CC ZINC000303257231 636303835 /nfs/dbraw/zinc/30/38/35/636303835.db2.gz JDQZMRZZNLUOSH-UHFFFAOYSA-N 1 0 229.324 0.903 20 30 BCEDRO CNC(N[C@@H]1CCN(CC(F)(F)F)C1)=[NH+]C ZINC000303255513 636304275 /nfs/dbraw/zinc/30/42/75/636304275.db2.gz GLYIFQHXGCUBKK-SSDOTTSWSA-N 1 0 238.257 0.418 20 30 BCEDRO COc1c(C)cnc(CNC(N)=[NH2+])c1C ZINC000303260834 636305468 /nfs/dbraw/zinc/30/54/68/636305468.db2.gz NPTLSHABDXEXAI-UHFFFAOYSA-N 1 0 208.265 0.480 20 30 BCEDRO CNC(=[NH2+])NCC(=O)Nc1ccccc1 ZINC000303265492 636305689 /nfs/dbraw/zinc/30/56/89/636305689.db2.gz UMUOZTTVQMBXMP-UHFFFAOYSA-N 1 0 206.249 0.159 20 30 BCEDRO C#CCSCC(=O)NCCOCC[NH+](C)C ZINC000897311722 636307893 /nfs/dbraw/zinc/30/78/93/636307893.db2.gz LPLYDRPFEXKTMP-UHFFFAOYSA-N 1 0 244.360 0.047 20 30 BCEDRO COCCNC(=[NH2+])NCC[S@@](=O)C(C)(C)C ZINC000304229577 636321218 /nfs/dbraw/zinc/32/12/18/636321218.db2.gz MWAYOJSNOHBNLN-MRXNPFEDSA-N 1 0 249.380 0.084 20 30 BCEDRO CCNC(=[NH2+])NC[C@@](C)(O)c1ccco1 ZINC000304622864 636324523 /nfs/dbraw/zinc/32/45/23/636324523.db2.gz OHUFGDIRQOVTHT-SNVBAGLBSA-N 1 0 211.265 0.411 20 30 BCEDRO CCCCNC(=[NH2+])NCC(=O)NCC1CC1 ZINC000305828432 636332233 /nfs/dbraw/zinc/33/22/33/636332233.db2.gz UDPYMPMSHMHQDE-UHFFFAOYSA-N 1 0 226.324 0.217 20 30 BCEDRO COCCNC(=[NH2+])NCC1(OC)CCC1 ZINC000305824375 636333549 /nfs/dbraw/zinc/33/35/49/636333549.db2.gz CATVBRLZSVXLQU-UHFFFAOYSA-N 1 0 215.297 0.106 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@H](C)[NH+](C)C)nc1 ZINC000728861606 636365774 /nfs/dbraw/zinc/36/57/74/636365774.db2.gz NLBVNKHHVOHUFZ-JTQLQIEISA-N 1 0 231.299 0.743 20 30 BCEDRO C[NH2+]C[C@H]1CCCN1C(=O)c1coc(C#N)c1 ZINC000870936634 636384969 /nfs/dbraw/zinc/38/49/69/636384969.db2.gz AAWVSTOONOJXGL-SNVBAGLBSA-N 1 0 233.271 0.975 20 30 BCEDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1coc(C#N)c1 ZINC000870936601 636385303 /nfs/dbraw/zinc/38/53/03/636385303.db2.gz AAWVSTOONOJXGL-JTQLQIEISA-N 1 0 233.271 0.975 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(C)C)[C@H]1C ZINC000985996617 636462800 /nfs/dbraw/zinc/46/28/00/636462800.db2.gz KPPGSWFCUFKOOG-QWRGUYRKSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(C)(F)F)[C@H]1C ZINC000985851384 636431339 /nfs/dbraw/zinc/43/13/39/636431339.db2.gz LCPWYOBNESYIJC-IUCAKERBSA-N 1 0 230.258 0.854 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC2CC2)[C@@H]1C ZINC000985848431 636431394 /nfs/dbraw/zinc/43/13/94/636431394.db2.gz FOXUVNSNJQFZGS-PWSUYJOCSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccncc2)[C@H]1C ZINC000985884728 636444506 /nfs/dbraw/zinc/44/45/06/636444506.db2.gz KUFUFLQHVSMGSJ-AAEUAGOBSA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccnc2)[C@@H]1C ZINC000985887037 636445777 /nfs/dbraw/zinc/44/57/77/636445777.db2.gz PNJHYEIGBXXYCS-DGCLKSJQSA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C)on2)[C@@H]1C ZINC000985958887 636457138 /nfs/dbraw/zinc/45/71/38/636457138.db2.gz NSGPDRCSHQUUMN-MNOVXSKESA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C)on2)[C@@H]1C ZINC000985958883 636457316 /nfs/dbraw/zinc/45/73/16/636457316.db2.gz NSGPDRCSHQUUMN-GHMZBOCLSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccn2C)[C@@H]1C ZINC000986001800 636465729 /nfs/dbraw/zinc/46/57/29/636465729.db2.gz LEGPPULMPIPFDI-VXGBXAGGSA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ocnc2C)[C@H]1C ZINC000986109491 636508977 /nfs/dbraw/zinc/50/89/77/636508977.db2.gz RZJXWYRWTOGZTM-WDEREUQCSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)cn2)[C@@H]1C ZINC000986148478 636531788 /nfs/dbraw/zinc/53/17/88/636531788.db2.gz BAKOSFLVGAHDRS-MNOVXSKESA-N 1 0 246.314 0.246 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2nccn2)[C@@H]1C ZINC000986330402 636554280 /nfs/dbraw/zinc/55/42/80/636554280.db2.gz CUALYQBUYDITOQ-MNOVXSKESA-N 1 0 249.318 0.043 20 30 BCEDRO C=CCCCN(CC)c1nc(N)[nH+]c(N)n1 ZINC000897399442 636586823 /nfs/dbraw/zinc/58/68/23/636586823.db2.gz MGLXRVLAPKFULA-UHFFFAOYSA-N 1 0 222.296 0.829 20 30 BCEDRO COc1cc2c(cc1F)CCC2=NNC(N)=[NH2+] ZINC000799109181 636599465 /nfs/dbraw/zinc/59/94/65/636599465.db2.gz XZBUBFZNERCVIX-UHFFFAOYSA-N 1 0 236.250 0.968 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccnnc2)[C@@H]1C ZINC000987066595 636621345 /nfs/dbraw/zinc/62/13/45/636621345.db2.gz WDFOYEQDZCZWSS-ZYHUDNBSSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccnnc2)[C@H]1C ZINC000987062814 636622343 /nfs/dbraw/zinc/62/23/43/636622343.db2.gz METXSQZVQYBNSR-JQWIXIFHSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccnnc2)[C@H]1C ZINC000987062812 636623012 /nfs/dbraw/zinc/62/30/12/636623012.db2.gz METXSQZVQYBNSR-CMPLNLGQSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nc(C)c[nH]2)[C@@H]1C ZINC000987163645 636638140 /nfs/dbraw/zinc/63/81/40/636638140.db2.gz YUAYLXDEEBZEJJ-GHMZBOCLSA-N 1 0 246.314 0.544 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@@H]1C ZINC000987262971 636645562 /nfs/dbraw/zinc/64/55/62/636645562.db2.gz XBWCWBZXSGQEBD-MNOVXSKESA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nocc2C)[C@H]1C ZINC000987315023 636647283 /nfs/dbraw/zinc/64/72/83/636647283.db2.gz XPHOGJQNVGNFFW-QWRGUYRKSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C(C)C)C1 ZINC000988135356 636680558 /nfs/dbraw/zinc/68/05/58/636680558.db2.gz PATHXYNAMQACFJ-MNOVXSKESA-N 1 0 208.305 0.855 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1C[C@@H](C)N(C(=O)COC)C1 ZINC000987659573 636658525 /nfs/dbraw/zinc/65/85/25/636658525.db2.gz ULRVYRLPKXMRPE-ZJUUUORDSA-N 1 0 246.738 0.964 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)COC)C1 ZINC000987657049 636659299 /nfs/dbraw/zinc/65/92/99/636659299.db2.gz OULJZEVIHGCALY-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(C)(F)F)C1 ZINC000987741521 636665432 /nfs/dbraw/zinc/66/54/32/636665432.db2.gz DDAIVKDXBBHOAW-RKDXNWHRSA-N 1 0 230.258 0.854 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CC2CC2)C1 ZINC000987750544 636668065 /nfs/dbraw/zinc/66/80/65/636668065.db2.gz FOZOWSJEPLIAJN-PWSUYJOCSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)CCC)C1 ZINC000987839933 636669756 /nfs/dbraw/zinc/66/97/56/636669756.db2.gz IXICIQRFSXMFAA-MNOVXSKESA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(C)c2)C1 ZINC000987980453 636674619 /nfs/dbraw/zinc/67/46/19/636674619.db2.gz DPVAPMVNYGZPDQ-PWSUYJOCSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CSC)C1 ZINC000987995502 636675581 /nfs/dbraw/zinc/67/55/81/636675581.db2.gz NYVCFGHIRAGTCY-NXEZZACHSA-N 1 0 226.345 0.562 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C)no2)C1 ZINC000988045766 636677766 /nfs/dbraw/zinc/67/77/66/636677766.db2.gz KBIPXUZPDWGFIC-MNOVXSKESA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cccn2)C1 ZINC000988080713 636678448 /nfs/dbraw/zinc/67/84/48/636678448.db2.gz PSFQMHZWANXVJK-NEPJUHHUSA-N 1 0 248.330 0.648 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C(C)C)C1 ZINC000988135360 636680445 /nfs/dbraw/zinc/68/04/45/636680445.db2.gz PATHXYNAMQACFJ-WDEREUQCSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cocn2)C1 ZINC000988302843 636686979 /nfs/dbraw/zinc/68/69/79/636686979.db2.gz LLFQIRHBRSOBJG-VHSXEESVSA-N 1 0 233.271 0.500 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCn2cccc2C1 ZINC000928961738 636687073 /nfs/dbraw/zinc/68/70/73/636687073.db2.gz MCOSNHFRCDDBGZ-UHFFFAOYSA-N 1 0 233.315 0.948 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccnn2C)C1 ZINC000988331734 636689903 /nfs/dbraw/zinc/68/99/03/636689903.db2.gz BJXGSTVNWWLOCD-QWRGUYRKSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[C@H]1NC(=O)N([C@H]2CCC[N@@H+](CC)C2)C1=O ZINC000925290063 636735031 /nfs/dbraw/zinc/73/50/31/636735031.db2.gz APZMIZLXYRGHBT-WDEREUQCSA-N 1 0 249.314 0.414 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cn(C)cn2)C1 ZINC000988617242 636744980 /nfs/dbraw/zinc/74/49/80/636744980.db2.gz BPEWWJAJXQWXDC-MNOVXSKESA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cncnc2)C1 ZINC000988680366 636758226 /nfs/dbraw/zinc/75/82/26/636758226.db2.gz ROKMAEJFRCMCLM-PWSUYJOCSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2=CCOCC2)C1 ZINC000988688453 636760624 /nfs/dbraw/zinc/76/06/24/636760624.db2.gz CQSPJVHWQLAYGU-AAEUAGOBSA-N 1 0 248.326 0.545 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ncc[nH]2)C1 ZINC000988799412 636786926 /nfs/dbraw/zinc/78/69/26/636786926.db2.gz CEHHOXSMCKHQAI-ZJUUUORDSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ncc[nH]2)C1 ZINC000988803794 636787239 /nfs/dbraw/zinc/78/72/39/636787239.db2.gz OUTMEGQBNGKDRN-ZJUUUORDSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C#CC2CC2)C1 ZINC000988825516 636789359 /nfs/dbraw/zinc/78/93/59/636789359.db2.gz MAGVUKIHVXDUSY-AAEUAGOBSA-N 1 0 230.311 0.612 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccns2)C1 ZINC000988912649 636791118 /nfs/dbraw/zinc/79/11/18/636791118.db2.gz PWMINSITLDZFNB-UWVGGRQHSA-N 1 0 249.339 0.969 20 30 BCEDRO CC[NH+]=C(NCc1nncn1C)NC(C)(C)C ZINC000264109543 636802428 /nfs/dbraw/zinc/80/24/28/636802428.db2.gz FOTCFZDBVNOIPG-UHFFFAOYSA-N 1 0 238.339 0.669 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc(F)c[nH]2)C1 ZINC000989203082 636803780 /nfs/dbraw/zinc/80/37/80/636803780.db2.gz VEIWSBBGLMUEHL-ONGXEEELSA-N 1 0 249.289 0.980 20 30 BCEDRO C#CC[N@@H+](C)CCCN1C(=O)[C@@H](C)N(C)C1=O ZINC000925306144 636808907 /nfs/dbraw/zinc/80/89/07/636808907.db2.gz GZJNFGNWXOTHNT-SNVBAGLBSA-N 1 0 237.303 0.224 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cnoc2)C1 ZINC000989341267 636818657 /nfs/dbraw/zinc/81/86/57/636818657.db2.gz KGRDCUVWDHBMKZ-JQWIXIFHSA-N 1 0 249.314 0.982 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC000989488261 636859309 /nfs/dbraw/zinc/85/93/09/636859309.db2.gz QOOPAICZGUFHPR-PWSUYJOCSA-N 1 0 248.330 0.717 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnon2)C1 ZINC000989575341 636862961 /nfs/dbraw/zinc/86/29/61/636862961.db2.gz JBDURZRVTNFRPC-RKDXNWHRSA-N 1 0 236.275 0.448 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC000989569299 636863786 /nfs/dbraw/zinc/86/37/86/636863786.db2.gz SFOHRARTRURBJM-IUCAKERBSA-N 1 0 235.291 0.183 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ncccn2)C1 ZINC000989587722 636864260 /nfs/dbraw/zinc/86/42/60/636864260.db2.gz SXQDCVYEIDNCFF-WDEREUQCSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC000989609998 636867174 /nfs/dbraw/zinc/86/71/74/636867174.db2.gz VNJZQKVPPFZQDZ-GHMZBOCLSA-N 1 0 248.330 0.717 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccnn2)C1 ZINC000989592820 636867679 /nfs/dbraw/zinc/86/76/79/636867679.db2.gz DGIUEXCGFXQTDP-WDEREUQCSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cncn2)C1 ZINC000989752250 636880402 /nfs/dbraw/zinc/88/04/02/636880402.db2.gz LQFYDAJSEWULTH-MNOVXSKESA-N 1 0 249.318 0.043 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2ccc[nH]2)C1 ZINC000989816534 636880879 /nfs/dbraw/zinc/88/08/79/636880879.db2.gz NTRGGLAJKXSNGV-AAEUAGOBSA-N 1 0 245.326 0.769 20 30 BCEDRO C#CC[N@@H+]1CC[C@]2(NC(=O)C(F)F)CCC[C@H]12 ZINC000989883532 636888664 /nfs/dbraw/zinc/88/86/64/636888664.db2.gz KMSFRJHDKOWEDQ-JOYOIKCWSA-N 1 0 242.269 0.998 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@H]2C[C@@H]2C)CC1 ZINC000989890961 636891271 /nfs/dbraw/zinc/89/12/71/636891271.db2.gz VPJAILLNYBUQJC-JQWIXIFHSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000990029388 636914371 /nfs/dbraw/zinc/91/43/71/636914371.db2.gz HTKIXMWBVYHAJY-UHFFFAOYSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000990102713 636917204 /nfs/dbraw/zinc/91/72/04/636917204.db2.gz HMLFBLHKSNMYOU-SNVBAGLBSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000990129092 636921267 /nfs/dbraw/zinc/92/12/67/636921267.db2.gz UYAREWTUAJDBDO-LLVKDONJSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000990505213 636956003 /nfs/dbraw/zinc/95/60/03/636956003.db2.gz WHCPOXGDIFGWLP-UHFFFAOYSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CCC1(O)CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000899595731 637100227 /nfs/dbraw/zinc/10/02/27/637100227.db2.gz YTMXSTAVQOBEHO-NSHDSACASA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1ccn(C)n1 ZINC000900024993 637168480 /nfs/dbraw/zinc/16/84/80/637168480.db2.gz ACPIDGCQLZCWHO-UHFFFAOYSA-N 1 0 222.292 0.867 20 30 BCEDRO C#CCN(CC)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900352667 637179083 /nfs/dbraw/zinc/17/90/83/637179083.db2.gz HMMVGIJFLZFAJU-CYBMUJFWSA-N 1 0 238.331 0.315 20 30 BCEDRO CN(CCC#N)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900356780 637182701 /nfs/dbraw/zinc/18/27/01/637182701.db2.gz OCMFUYUSIGXWRH-LBPRGKRZSA-N 1 0 239.319 0.205 20 30 BCEDRO C#CCN(CC#C)C(=O)C12CC[NH+](CC1)C2 ZINC000900906012 637199236 /nfs/dbraw/zinc/19/92/36/637199236.db2.gz FVFZRMLZGREVKK-UHFFFAOYSA-N 1 0 216.284 0.177 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2nccn2C2CC2)N1 ZINC000901214560 637235712 /nfs/dbraw/zinc/23/57/12/637235712.db2.gz AMOWGUDJRKLUMG-MRVPVSSYSA-N 1 0 232.291 0.489 20 30 BCEDRO C#CCNC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000905002722 637541176 /nfs/dbraw/zinc/54/11/76/637541176.db2.gz KXCXLSXUISRWBE-NXEZZACHSA-N 1 0 209.293 0.164 20 30 BCEDRO CNC(NC[C@](C)(O)c1cccc(F)c1)=[NH+]C ZINC000905032412 637555127 /nfs/dbraw/zinc/55/51/27/637555127.db2.gz KTBIPAPUYKSJOL-LBPRGKRZSA-N 1 0 239.294 0.828 20 30 BCEDRO C=CCSCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905072899 637602938 /nfs/dbraw/zinc/60/29/38/637602938.db2.gz TYFSIJQOEWKIMI-JTQLQIEISA-N 1 0 231.361 0.771 20 30 BCEDRO C[C@H](C#N)C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905107199 637616400 /nfs/dbraw/zinc/61/64/00/637616400.db2.gz WMMWQHMDHIINJW-MNOVXSKESA-N 1 0 226.320 0.792 20 30 BCEDRO C#CCSCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905133371 637644908 /nfs/dbraw/zinc/64/49/08/637644908.db2.gz LKHUZQPQCVOUFT-SNVBAGLBSA-N 1 0 229.345 0.218 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NCCOC)CC1 ZINC000905145240 637654066 /nfs/dbraw/zinc/65/40/66/637654066.db2.gz LZMCARXLSZDRIN-UHFFFAOYSA-N 1 0 239.319 0.030 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NCC)CC1 ZINC000905144327 637654957 /nfs/dbraw/zinc/65/49/57/637654957.db2.gz DXTJOOBPVZXBFB-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO CC(C)(C#N)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905201743 637693792 /nfs/dbraw/zinc/69/37/92/637693792.db2.gz FKGZHGLALPTTNT-SNVBAGLBSA-N 1 0 226.320 0.792 20 30 BCEDRO N#CCCC[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905205981 637695114 /nfs/dbraw/zinc/69/51/14/637695114.db2.gz WYCJWXBRRUQXQB-LLVKDONJSA-N 1 0 226.320 0.936 20 30 BCEDRO N#CC1(C[NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC000905242987 637703484 /nfs/dbraw/zinc/70/34/84/637703484.db2.gz HEDBMSHTKMOWKG-JTQLQIEISA-N 1 0 224.304 0.546 20 30 BCEDRO N#CCC[NH2+]C[C@@H](O)CC1(CO)CCCC1 ZINC000905237718 637723050 /nfs/dbraw/zinc/72/30/50/637723050.db2.gz KKHJWUYXQOSDAK-NSHDSACASA-N 1 0 226.320 0.793 20 30 BCEDRO C=CC[C@@H](CC)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905242650 637725978 /nfs/dbraw/zinc/72/59/78/637725978.db2.gz DMZSYZYGHCWDIO-VXGBXAGGSA-N 1 0 243.347 0.833 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905271027 637729162 /nfs/dbraw/zinc/72/91/62/637729162.db2.gz ATABDQQOYPKPKE-NSHDSACASA-N 1 0 229.320 0.445 20 30 BCEDRO C=C(CC)C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905281264 637734801 /nfs/dbraw/zinc/73/48/01/637734801.db2.gz RTFVJSPSHHEPKG-LLVKDONJSA-N 1 0 229.320 0.445 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905356158 637775539 /nfs/dbraw/zinc/77/55/39/637775539.db2.gz DAOYYODOTYGQLZ-NEPJUHHUSA-N 1 0 241.331 0.016 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905356193 637775769 /nfs/dbraw/zinc/77/57/69/637775769.db2.gz DUJPBGAFGVEKNK-ZIAGYGMSSA-N 1 0 249.310 0.056 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@](C)(O)C(F)F ZINC000905360210 637778555 /nfs/dbraw/zinc/77/85/55/637778555.db2.gz XRYGZJFOLQUTQN-IONNQARKSA-N 1 0 209.236 0.529 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@](C)(O)C(F)F ZINC000905365389 637787763 /nfs/dbraw/zinc/78/77/63/637787763.db2.gz PFKPLGAUGMRLGW-SCZZXKLOSA-N 1 0 221.247 0.366 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)C[C@H](O)c1ccccc1 ZINC000905365235 637788082 /nfs/dbraw/zinc/78/80/82/637788082.db2.gz HVKDRIVMGRNJOK-MCIONIFRSA-N 1 0 249.310 0.055 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905367808 637790041 /nfs/dbraw/zinc/79/00/41/637790041.db2.gz VUQMXTUCKNWSGD-NEPJUHHUSA-N 1 0 241.331 0.016 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905399996 637795776 /nfs/dbraw/zinc/79/57/76/637795776.db2.gz QUOGCZVUFMPXID-NEPJUHHUSA-N 1 0 241.331 0.280 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1C=CCC1 ZINC000905410051 637799962 /nfs/dbraw/zinc/79/99/62/637799962.db2.gz ONEHEHXUHZDXRJ-LLVKDONJSA-N 1 0 206.289 0.682 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000905452965 637809918 /nfs/dbraw/zinc/80/99/18/637809918.db2.gz POQWRKMNLJDMPF-VXGBXAGGSA-N 1 0 239.319 0.161 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000905449134 637810112 /nfs/dbraw/zinc/81/01/12/637810112.db2.gz CTYIBORUTIKZLX-AAEUAGOBSA-N 1 0 242.363 0.358 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]CCC(=O)N(C)OC ZINC000905452948 637810398 /nfs/dbraw/zinc/81/03/98/637810398.db2.gz PMGCIMWRRURLQL-SNVBAGLBSA-N 1 0 230.308 0.313 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905450661 637810405 /nfs/dbraw/zinc/81/04/05/637810405.db2.gz HWRYDVOFLWMWRL-WDEREUQCSA-N 1 0 229.320 0.179 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]CCS(=O)(=O)CC ZINC000905455167 637820548 /nfs/dbraw/zinc/82/05/48/637820548.db2.gz WJWOQEDMYNDYFR-SNVBAGLBSA-N 1 0 235.349 0.338 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000905455539 637821484 /nfs/dbraw/zinc/82/14/84/637821484.db2.gz ZCPUQIFMBOXJEC-ZJUUUORDSA-N 1 0 235.349 0.336 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000905455536 637822110 /nfs/dbraw/zinc/82/21/10/637822110.db2.gz ZCPUQIFMBOXJEC-NXEZZACHSA-N 1 0 235.349 0.336 20 30 BCEDRO C[C@@H]1[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CCN1C ZINC000905543842 637840354 /nfs/dbraw/zinc/84/03/54/637840354.db2.gz RNSDPDDZSZSVLN-IJLUTSLNSA-N 1 0 239.363 0.969 20 30 BCEDRO C[C@@H]1[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CCN1C ZINC000905543840 637841033 /nfs/dbraw/zinc/84/10/33/637841033.db2.gz RNSDPDDZSZSVLN-GRYCIOLGSA-N 1 0 239.363 0.969 20 30 BCEDRO C#CCN1CCC[C@H](NC(=S)NCCC)C1 ZINC000905572243 637850831 /nfs/dbraw/zinc/85/08/31/637850831.db2.gz VXXUPZGYOOLNPD-NSHDSACASA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@H](O)CCC ZINC000905590925 637856880 /nfs/dbraw/zinc/85/68/80/637856880.db2.gz UGOBLYCNZKQYGL-LLVKDONJSA-N 1 0 226.320 0.267 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@@H](O)CCC ZINC000905590926 637857181 /nfs/dbraw/zinc/85/71/81/637857181.db2.gz UGOBLYCNZKQYGL-NSHDSACASA-N 1 0 226.320 0.267 20 30 BCEDRO C#CC[NH+]1CCC(NC(=S)NCCC)CC1 ZINC000905656967 637872818 /nfs/dbraw/zinc/87/28/18/637872818.db2.gz VLACWAALQUHVPW-UHFFFAOYSA-N 1 0 239.388 0.958 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]C/C=C/Cl ZINC000905709779 637892264 /nfs/dbraw/zinc/89/22/64/637892264.db2.gz ZPNHSVJIOSPKID-XCRNYIDWSA-N 1 0 231.727 0.535 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1cccnc1C ZINC000905699352 637895161 /nfs/dbraw/zinc/89/51/61/637895161.db2.gz BVAHVLKUKWEHBQ-UHFFFAOYSA-N 1 0 245.326 0.662 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CC[C@@H](O)C2CC2)CC1 ZINC000905692912 637895259 /nfs/dbraw/zinc/89/52/59/637895259.db2.gz YHVLQZTZPYLKJL-NWDGAFQWSA-N 1 0 238.331 0.792 20 30 BCEDRO C=CC[C@@H](NC[C@H]1CC[N@H+]1CC)C(=O)OC ZINC000905802973 637934478 /nfs/dbraw/zinc/93/44/78/637934478.db2.gz AQIOERTVSHGFTR-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C(C)Cn1cc(CN2CCC([NH3+])CC2)nn1 ZINC000905784036 637936265 /nfs/dbraw/zinc/93/62/65/637936265.db2.gz AGWOPKRNVFAJGN-UHFFFAOYSA-N 1 0 235.335 0.777 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H]2COC[C@H]2C)C1=O ZINC000905868089 637952061 /nfs/dbraw/zinc/95/20/61/637952061.db2.gz PFCCNJZKVBBXEF-OUAUKWLOSA-N 1 0 224.304 0.398 20 30 BCEDRO CC[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CCC1 ZINC000905871176 637957510 /nfs/dbraw/zinc/95/75/10/637957510.db2.gz WHBPZFNEWHPTSP-GHMZBOCLSA-N 1 0 226.320 0.792 20 30 BCEDRO CN1CC[C@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000905854253 637964241 /nfs/dbraw/zinc/96/42/41/637964241.db2.gz KYYUMMTYPCCZBF-MNOVXSKESA-N 1 0 206.293 0.724 20 30 BCEDRO C=C[C@@H](NCc1cc(N(C)C)cc[nH+]1)C(=O)OC ZINC000905850025 637964843 /nfs/dbraw/zinc/96/48/43/637964843.db2.gz JJXGMLIHJIBCKP-GFCCVEGCSA-N 1 0 249.314 0.965 20 30 BCEDRO C=CCOCCNC(=O)C12CC[NH+](CC1)C2 ZINC000907271927 638332818 /nfs/dbraw/zinc/33/28/18/638332818.db2.gz ZWYAZUWZLGCJEO-UHFFFAOYSA-N 1 0 224.304 0.401 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[C@H](C)O ZINC000907312052 638338476 /nfs/dbraw/zinc/33/84/76/638338476.db2.gz HJWVPKGPLBEYPA-QWRGUYRKSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC1(CO)CCC1 ZINC000907343663 638350709 /nfs/dbraw/zinc/35/07/09/638350709.db2.gz DIVBKVWORKXGAK-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO C[N@@H+]1CCC[C@@](O)(CC(=O)NCCCC#N)C1 ZINC000907321551 638354927 /nfs/dbraw/zinc/35/49/27/638354927.db2.gz SFHGNAGRRDYOJI-GFCCVEGCSA-N 1 0 239.319 0.253 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOCC(F)F ZINC000907381403 638376209 /nfs/dbraw/zinc/37/62/09/638376209.db2.gz KYKAXCQOFMBRDF-UHFFFAOYSA-N 1 0 222.235 0.807 20 30 BCEDRO C=CCCCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907445256 638385969 /nfs/dbraw/zinc/38/59/69/638385969.db2.gz AGBAEZZOMPKBEM-AAEUAGOBSA-N 1 0 240.347 0.914 20 30 BCEDRO C#C[C@@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H]1CCCO1 ZINC000907489494 638389271 /nfs/dbraw/zinc/38/92/71/638389271.db2.gz ZNPBMQAHIUPPNK-WOPDTQHZSA-N 1 0 238.331 0.624 20 30 BCEDRO C=CCN(C)C(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907519453 638401040 /nfs/dbraw/zinc/40/10/40/638401040.db2.gz XKBDOYOODUHBBQ-UHFFFAOYSA-N 1 0 225.336 0.124 20 30 BCEDRO C=CCN(C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907518127 638401680 /nfs/dbraw/zinc/40/16/80/638401680.db2.gz KXOJRVZOOYVLBG-GFCCVEGCSA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(C)CNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907520474 638403357 /nfs/dbraw/zinc/40/33/57/638403357.db2.gz DARYYCJZJNALCU-GXSJLCMTSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H](OC)C1 ZINC000907618621 638434649 /nfs/dbraw/zinc/43/46/49/638434649.db2.gz VONYNKQZYDWTPJ-LLVKDONJSA-N 1 0 242.319 0.326 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C(=C)CC[NH+](C)C ZINC000907772935 638466133 /nfs/dbraw/zinc/46/61/33/638466133.db2.gz BURKSXNWUVCGGI-LLVKDONJSA-N 1 0 208.305 0.974 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000907908823 638509155 /nfs/dbraw/zinc/50/91/55/638509155.db2.gz XCUSPPPHEGWNTG-URLYPYJESA-N 1 0 224.304 0.255 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CO)CCOC ZINC000907979400 638533782 /nfs/dbraw/zinc/53/37/82/638533782.db2.gz HWLCEZLZPFJJCH-LLVKDONJSA-N 1 0 244.335 0.008 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C(OC)OC ZINC000908201913 638610944 /nfs/dbraw/zinc/61/09/44/638610944.db2.gz MZADXCMIVODPLB-SNVBAGLBSA-N 1 0 244.335 0.618 20 30 BCEDRO C[C@H](CC#N)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908208344 638612867 /nfs/dbraw/zinc/61/28/67/638612867.db2.gz PIVDWZANUWCCSD-GHMZBOCLSA-N 1 0 239.319 0.109 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1cnc(C)n1C ZINC000908437705 638716639 /nfs/dbraw/zinc/71/66/39/638716639.db2.gz RPVJQMMMEPRALE-UHFFFAOYSA-N 1 0 248.330 0.413 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cc1cnc(C)o1 ZINC000908437964 638717063 /nfs/dbraw/zinc/71/70/63/638717063.db2.gz VMIDKWCYBLXBDE-UHFFFAOYSA-N 1 0 249.314 0.597 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCn2ccnc21 ZINC000908519816 638754873 /nfs/dbraw/zinc/75/48/73/638754873.db2.gz KKMBQXPNWFGNPO-NSHDSACASA-N 1 0 248.330 0.952 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOC(C)C ZINC000908569458 639018933 /nfs/dbraw/zinc/01/89/33/639018933.db2.gz HPKGKFDKVAHPAD-UHFFFAOYSA-N 1 0 200.282 0.951 20 30 BCEDRO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@H](C#N)CO)C1 ZINC000909306231 639201233 /nfs/dbraw/zinc/20/12/33/639201233.db2.gz QZONQFHFDCRDLW-GHMZBOCLSA-N 1 0 239.319 0.109 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)C(=C)CC[NH+](C)C ZINC000909921771 639288760 /nfs/dbraw/zinc/28/87/60/639288760.db2.gz DRRGTWGELWLRJG-GFCCVEGCSA-N 1 0 236.315 0.355 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@](C)(O)C1 ZINC000910922761 639541480 /nfs/dbraw/zinc/54/14/80/639541480.db2.gz OOAWUCHMSYRUNQ-KLPPZKSPSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCC[N@@H+](C)CC1CN(S(C)(=O)=O)C1 ZINC000930252795 639663613 /nfs/dbraw/zinc/66/36/13/639663613.db2.gz DUJCYRYVPXNZFB-UHFFFAOYSA-N 1 0 232.349 0.386 20 30 BCEDRO C[C@@H](O)C[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930266665 639669176 /nfs/dbraw/zinc/66/91/76/639669176.db2.gz CGIWGDQBRGEWDN-IJLUTSLNSA-N 1 0 226.320 0.886 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC(C[NH3+])CC1 ZINC000911670715 639696368 /nfs/dbraw/zinc/69/63/68/639696368.db2.gz POLBRJMHWFQRHH-NSHDSACASA-N 1 0 212.293 0.121 20 30 BCEDRO N#Cc1cscc1C(=O)N1CC[NH2+]CC1 ZINC000911647285 639700941 /nfs/dbraw/zinc/70/09/41/639700941.db2.gz YSMDEYJBYMDPFM-UHFFFAOYSA-N 1 0 221.285 0.665 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000911654814 639708950 /nfs/dbraw/zinc/70/89/50/639708950.db2.gz CQPGQWLRJXMALP-QJPTWQEYSA-N 1 0 238.331 0.788 20 30 BCEDRO C[C@@H]1CSC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000930455254 639759111 /nfs/dbraw/zinc/75/91/11/639759111.db2.gz JKPYDSQMRMLFLL-HLTSFMKQSA-N 1 0 200.307 0.602 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000930376731 639738148 /nfs/dbraw/zinc/73/81/48/639738148.db2.gz NXRJKUFGCFONLC-NEPJUHHUSA-N 1 0 224.304 0.763 20 30 BCEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C[C@H](O)CC#N ZINC000930458732 639762702 /nfs/dbraw/zinc/76/27/02/639762702.db2.gz XNLIEEMNACJRQH-FRRDWIJNSA-N 1 0 237.347 0.820 20 30 BCEDRO COCCN(Cc1ccccn1)C[C@H](O)CC#N ZINC000930485302 639775681 /nfs/dbraw/zinc/77/56/81/639775681.db2.gz SFICNOGEAJUZLB-CYBMUJFWSA-N 1 0 249.314 0.805 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000930530905 639803533 /nfs/dbraw/zinc/80/35/33/639803533.db2.gz FMAYIDMDXDOUCW-GHMZBOCLSA-N 1 0 220.276 0.404 20 30 BCEDRO COCC(C)(C)[N@H+](C)C[C@H](O)CC#N ZINC000930555893 639810955 /nfs/dbraw/zinc/81/09/55/639810955.db2.gz XPZJSEWALJYDMA-SECBINFHSA-N 1 0 200.282 0.618 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000930602054 639815658 /nfs/dbraw/zinc/81/56/58/639815658.db2.gz XXQUVUACVPJJSJ-NWDGAFQWSA-N 1 0 241.331 0.280 20 30 BCEDRO CCN(CC#N)C(=O)COC1CC[NH+](C)CC1 ZINC000930620863 639825410 /nfs/dbraw/zinc/82/54/10/639825410.db2.gz DNZJJLINDSUJRU-UHFFFAOYSA-N 1 0 239.319 0.469 20 30 BCEDRO N#Cc1cc(Cl)cc(C[NH2+]C(CO)CO)c1 ZINC000930624378 639828478 /nfs/dbraw/zinc/82/84/78/639828478.db2.gz BUCHZZUGRDCJMY-UHFFFAOYSA-N 1 0 240.690 0.654 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000911809025 639830924 /nfs/dbraw/zinc/83/09/24/639830924.db2.gz HPQNZRPZPMVLPD-QJPTWQEYSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCCS1(=O)=O ZINC000930637670 639835885 /nfs/dbraw/zinc/83/58/85/639835885.db2.gz FEJRYFSRFSBGNX-MXWKQRLJSA-N 1 0 245.344 0.497 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CCC2(COC2)O1 ZINC000930639247 639837618 /nfs/dbraw/zinc/83/76/18/639837618.db2.gz NPGIYCAXCRPUPS-TUAOUCFPSA-N 1 0 239.315 0.868 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Nc1ccon1 ZINC000930655772 639848597 /nfs/dbraw/zinc/84/85/97/639848597.db2.gz TZOWPWQNLDYRJO-UHFFFAOYSA-N 1 0 222.248 0.361 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC(C[NH2+]CC)CC1 ZINC000911863191 639850396 /nfs/dbraw/zinc/85/03/96/639850396.db2.gz AWKQBNJQZZEQGF-ZDUSSCGKSA-N 1 0 240.347 0.772 20 30 BCEDRO COC[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930664226 639851795 /nfs/dbraw/zinc/85/17/95/639851795.db2.gz DVIJUMBNRARPNP-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C=C[C@@H](CC)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911878021 639865146 /nfs/dbraw/zinc/86/51/46/639865146.db2.gz DEDIBBXBAOHBTC-NWDGAFQWSA-N 1 0 239.363 0.690 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000930701806 639868331 /nfs/dbraw/zinc/86/83/31/639868331.db2.gz FATGYXITKIAIMN-MXWKQRLJSA-N 1 0 210.277 0.372 20 30 BCEDRO C=CCNC(=O)c1ccn(CCC[NH3+])n1 ZINC000911925600 639883243 /nfs/dbraw/zinc/88/32/43/639883243.db2.gz BCXMMRWZWMYYEP-UHFFFAOYSA-N 1 0 208.265 0.148 20 30 BCEDRO COC[C@](C)([NH3+])CNc1ccnc(C#N)c1 ZINC000911911080 639889496 /nfs/dbraw/zinc/88/94/96/639889496.db2.gz MLZHHGFMIZMYCG-LLVKDONJSA-N 1 0 220.276 0.151 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000930746780 639893350 /nfs/dbraw/zinc/89/33/50/639893350.db2.gz ITABICWNEQHHSB-QWRGUYRKSA-N 1 0 212.293 0.134 20 30 BCEDRO C[C@@H](C#N)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911938912 639899642 /nfs/dbraw/zinc/89/96/42/639899642.db2.gz MZJKXWYFMAFDKS-JTQLQIEISA-N 1 0 239.319 0.061 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H](O)[C@H](C)O)C1 ZINC000930816330 639914713 /nfs/dbraw/zinc/91/47/13/639914713.db2.gz IXGOAVZVUCOKBG-QJPTWQEYSA-N 1 0 211.305 0.463 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000930815255 639916564 /nfs/dbraw/zinc/91/65/64/639916564.db2.gz BPXTVVYKCSKRAZ-QWHCGFSZSA-N 1 0 237.343 0.998 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000930816475 639918353 /nfs/dbraw/zinc/91/83/53/639918353.db2.gz LZQQTFQJUHNLHP-VXGBXAGGSA-N 1 0 236.315 0.884 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NCCCC(=O)OC ZINC000912040750 639932423 /nfs/dbraw/zinc/93/24/23/639932423.db2.gz RIGDAJJQSCGIFT-JTQLQIEISA-N 1 0 242.319 0.739 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)CC(=O)N(C)C ZINC000912066752 639932434 /nfs/dbraw/zinc/93/24/34/639932434.db2.gz VZIFAKNQCLOENK-JTQLQIEISA-N 1 0 241.335 0.217 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000930833385 639935700 /nfs/dbraw/zinc/93/57/00/639935700.db2.gz FTVSBLZUWCAHMF-KXNHARMFSA-N 1 0 240.347 0.911 20 30 BCEDRO C[C@@H](CC#N)[NH2+]C[C@@H]1CCC2(COC2)O1 ZINC000930869399 639962103 /nfs/dbraw/zinc/96/21/03/639962103.db2.gz ZGKLDPIDKYQODN-UWVGGRQHSA-N 1 0 210.277 0.826 20 30 BCEDRO N#Cc1ccc(C2([NH2+]C[C@H](O)CO)CCC2)cc1 ZINC000930888394 639974376 /nfs/dbraw/zinc/97/43/76/639974376.db2.gz YYOHAPXNYLUCRL-ZDUSSCGKSA-N 1 0 246.310 0.880 20 30 BCEDRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1C[C@H](O)CC#N ZINC000930913964 639986108 /nfs/dbraw/zinc/98/61/08/639986108.db2.gz YUJKZQBUJKMVNA-DBIOUOCHSA-N 1 0 239.319 0.235 20 30 BCEDRO CC(C)([NH2+]C[C@H](O)CO)c1cccc(C#N)c1 ZINC000930930917 639993564 /nfs/dbraw/zinc/99/35/64/639993564.db2.gz PARFHWLLZJOTAG-LBPRGKRZSA-N 1 0 234.299 0.736 20 30 BCEDRO Cn1cc(C2=CCCN(C[C@H](O)CC#N)C2)cn1 ZINC000930959620 639999261 /nfs/dbraw/zinc/99/92/61/639999261.db2.gz AYAAHESLBSVSDB-CYBMUJFWSA-N 1 0 246.314 0.784 20 30 BCEDRO C#CCN(CCO[C@H]1CCOC1)C1CSC1 ZINC000930959883 639999454 /nfs/dbraw/zinc/99/94/54/639999454.db2.gz FOXMMYMQFSISIW-LBPRGKRZSA-N 1 0 241.356 0.843 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCC(=O)OCC ZINC000912271932 640012018 /nfs/dbraw/zinc/01/20/18/640012018.db2.gz HKXMSDMZRYHEQK-SNVBAGLBSA-N 1 0 242.319 0.739 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000931020352 640024629 /nfs/dbraw/zinc/02/46/29/640024629.db2.gz BHKFOTKUPUGAKG-OPRDCNLKSA-N 1 0 210.277 0.154 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](N(C)C)[C@@H]1C ZINC000931039286 640033345 /nfs/dbraw/zinc/03/33/45/640033345.db2.gz XGGXSMAYSQFCSH-RYUDHWBXSA-N 1 0 237.347 0.150 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931047358 640040567 /nfs/dbraw/zinc/04/05/67/640040567.db2.gz OSKOYPUCGYBNRK-MNOVXSKESA-N 1 0 225.336 0.313 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NC1CCOCC1 ZINC000912437652 640061913 /nfs/dbraw/zinc/06/19/13/640061913.db2.gz IWQFURVURXOBLV-NSHDSACASA-N 1 0 226.320 0.965 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H](O)CSC)CC1 ZINC000931151368 640077666 /nfs/dbraw/zinc/07/76/66/640077666.db2.gz SEHHQJTZBYRGIC-SNVBAGLBSA-N 1 0 229.345 0.170 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H]2COC(C)(C)O2)CC1 ZINC000931149999 640077732 /nfs/dbraw/zinc/07/77/32/640077732.db2.gz WHHUULVVKNVSSK-LLVKDONJSA-N 1 0 239.315 0.598 20 30 BCEDRO C#CCOCC[NH+]1CCC(O)(C#C)CC1 ZINC000931150777 640078256 /nfs/dbraw/zinc/07/82/56/640078256.db2.gz ANHKVPUCZMWTEY-UHFFFAOYSA-N 1 0 207.273 0.096 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H](O)CCC=C)CC1 ZINC000931145351 640078459 /nfs/dbraw/zinc/07/84/59/640078459.db2.gz IGTLPVAMJVFPNL-GFCCVEGCSA-N 1 0 223.316 0.774 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCCNC(C)=O ZINC000912448921 640078704 /nfs/dbraw/zinc/07/87/04/640078704.db2.gz AZLQGDXRDNNTME-LLVKDONJSA-N 1 0 241.335 0.312 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H]2CCO[C@H]2C)CC1 ZINC000931151831 640079639 /nfs/dbraw/zinc/07/96/39/640079639.db2.gz WNPYSRMOXTXXSO-RYUDHWBXSA-N 1 0 223.316 0.872 20 30 BCEDRO C#CC1(O)CC[NH+](CC[C@H](O)C(C)C)CC1 ZINC000931154600 640080791 /nfs/dbraw/zinc/08/07/91/640080791.db2.gz YCSUCYPQZAWUJR-LBPRGKRZSA-N 1 0 225.332 0.854 20 30 BCEDRO C#CCCC[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931231353 640106737 /nfs/dbraw/zinc/10/67/37/640106737.db2.gz RJVONMQONSOAED-LLVKDONJSA-N 1 0 244.360 0.543 20 30 BCEDRO C#CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912598366 640121093 /nfs/dbraw/zinc/12/10/93/640121093.db2.gz DKPPJBHYSIMGFF-NXEZZACHSA-N 1 0 206.289 0.609 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000931261210 640121654 /nfs/dbraw/zinc/12/16/54/640121654.db2.gz PWYWOHAKAJHZDD-QJPTWQEYSA-N 1 0 224.304 0.355 20 30 BCEDRO C[N@@H+]1C[C@@]2(C)CN(C[C@H](O)CC#N)C[C@@]2(C)C1 ZINC000931313829 640149997 /nfs/dbraw/zinc/14/99/97/640149997.db2.gz GLUUBMHWJRTZJA-UPJWGTAASA-N 1 0 237.347 0.535 20 30 BCEDRO CC[C@@H](C#N)NC(=O)COC1CC[NH+](C)CC1 ZINC000931333072 640159209 /nfs/dbraw/zinc/15/92/09/640159209.db2.gz VGFTTXAJTKZPSV-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@]1(C)OC ZINC000912716598 640175324 /nfs/dbraw/zinc/17/53/24/640175324.db2.gz HIUQBVZBFKYQAT-PWSUYJOCSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CC[NH+](C)C[C@@H]2C1 ZINC000931431666 640200066 /nfs/dbraw/zinc/20/00/66/640200066.db2.gz ZDETYLQNYJSVSS-FRRDWIJNSA-N 1 0 249.358 0.008 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCc1cnoc1 ZINC000912776226 640201519 /nfs/dbraw/zinc/20/15/19/640201519.db2.gz WWHYPTOMRPBDFJ-UHFFFAOYSA-N 1 0 223.276 0.451 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)[nH]1 ZINC000912913087 640237635 /nfs/dbraw/zinc/23/76/35/640237635.db2.gz GUNWAQPJSOVXHS-LLVKDONJSA-N 1 0 244.298 0.807 20 30 BCEDRO C=CCNC(=O)CN1CCc2[nH+]ccc(N)c2C1 ZINC000931511943 640243208 /nfs/dbraw/zinc/24/32/08/640243208.db2.gz IYAIOYSKISBMCG-UHFFFAOYSA-N 1 0 246.314 0.324 20 30 BCEDRO C[C@H](C#N)OCCN1CCc2[nH+]ccc(N)c2C1 ZINC000931517836 640245183 /nfs/dbraw/zinc/24/51/83/640245183.db2.gz LOOWGXSRUTYXTR-SNVBAGLBSA-N 1 0 246.314 0.951 20 30 BCEDRO C[C@@H](C#N)OCCN1CCc2[nH+]ccc(N)c2C1 ZINC000931517833 640248141 /nfs/dbraw/zinc/24/81/41/640248141.db2.gz LOOWGXSRUTYXTR-JTQLQIEISA-N 1 0 246.314 0.951 20 30 BCEDRO C#CCSCC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912904704 640250243 /nfs/dbraw/zinc/25/02/43/640250243.db2.gz WQMDYYQMZMECCG-NSHDSACASA-N 1 0 238.356 0.659 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(C[C@H](O)CC#N)CC[C@H]21 ZINC000931545486 640258648 /nfs/dbraw/zinc/25/86/48/640258648.db2.gz FGYDGNVNFQPKGZ-QJPTWQEYSA-N 1 0 223.320 0.287 20 30 BCEDRO C#CC[C@@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000912986171 640265055 /nfs/dbraw/zinc/26/50/55/640265055.db2.gz UDKNTTMDJKCJIS-GFCCVEGCSA-N 1 0 232.327 0.954 20 30 BCEDRO CC(C)(O)C1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000931552713 640270966 /nfs/dbraw/zinc/27/09/66/640270966.db2.gz PPMFTKQHCSMHTM-LLVKDONJSA-N 1 0 226.320 0.744 20 30 BCEDRO [NH2+]=C(NCCCCO)NC1CCCCC1 ZINC000193285052 640279300 /nfs/dbraw/zinc/27/93/00/640279300.db2.gz OUPJPISLNRRLPQ-UHFFFAOYSA-N 1 0 213.325 0.996 20 30 BCEDRO C[C@H](CCC#N)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931655191 640304648 /nfs/dbraw/zinc/30/46/48/640304648.db2.gz WJLMZLVKGPUXAV-RKDXNWHRSA-N 1 0 209.293 0.793 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931652775 640305130 /nfs/dbraw/zinc/30/51/30/640305130.db2.gz JFMZZPKOJCHVBA-BDAKNGLRSA-N 1 0 212.293 0.038 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931652730 640305191 /nfs/dbraw/zinc/30/51/91/640305191.db2.gz CYLVDWCCUZTICA-BDAKNGLRSA-N 1 0 225.292 0.029 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H]1C[C@@H](O)C1 ZINC000913168056 640317555 /nfs/dbraw/zinc/31/75/55/640317555.db2.gz GRLGPFUPSQPCGI-PHIMTYICSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CCC1(O)CC[NH+]([C@@H](CC)CO)CC1 ZINC000931699801 640323446 /nfs/dbraw/zinc/32/34/46/640323446.db2.gz HPPGKBREEAWVCI-NSHDSACASA-N 1 0 211.305 0.608 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931728205 640342688 /nfs/dbraw/zinc/34/26/88/640342688.db2.gz PLCSRPLAZHHDMU-XQQFMLRXSA-N 1 0 249.358 0.293 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@]1(C)CCCO1 ZINC000151239657 640347664 /nfs/dbraw/zinc/34/76/64/640347664.db2.gz FXABNXNAAFNCTL-MWLCHTKSSA-N 1 0 229.324 0.495 20 30 BCEDRO CC[C@H](CO)[NH2+]CC(=O)N(CC)CCC#N ZINC000931767115 640359732 /nfs/dbraw/zinc/35/97/32/640359732.db2.gz NBIYLJCQUUXWBJ-SNVBAGLBSA-N 1 0 227.308 0.109 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913390421 640362347 /nfs/dbraw/zinc/36/23/47/640362347.db2.gz ZPFJRKZIAKASFB-ZDUSSCGKSA-N 1 0 240.347 0.866 20 30 BCEDRO CCOC(C)(C)C(=O)NCC#CC[NH+](C)C ZINC000913524967 640380012 /nfs/dbraw/zinc/38/00/12/640380012.db2.gz DRSWDDHAKSOTKY-UHFFFAOYSA-N 1 0 226.320 0.483 20 30 BCEDRO COc1ccc(C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913516053 640380725 /nfs/dbraw/zinc/38/07/25/640380725.db2.gz YRHSCUGIOPHLQQ-UHFFFAOYSA-N 1 0 247.298 0.385 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CC1(C)C ZINC000913520017 640381457 /nfs/dbraw/zinc/38/14/57/640381457.db2.gz ZEGHCCDOMLMXKJ-JTQLQIEISA-N 1 0 208.305 0.714 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Cc1ccc(O)cc1 ZINC000913520013 640382105 /nfs/dbraw/zinc/38/21/05/640382105.db2.gz YXZMNEMVULWWGD-UHFFFAOYSA-N 1 0 246.310 0.616 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C(C)(C)F ZINC000913520182 640382457 /nfs/dbraw/zinc/38/24/57/640382457.db2.gz HLKAQIGLHJQLHG-UHFFFAOYSA-N 1 0 200.257 0.416 20 30 BCEDRO CCOC1CC(C(=O)NCC#CC[NH+](C)C)C1 ZINC000913522644 640383971 /nfs/dbraw/zinc/38/39/71/640383971.db2.gz RUIIIJDJRWWBGD-UHFFFAOYSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932003139 640407749 /nfs/dbraw/zinc/40/77/49/640407749.db2.gz PBPGVVMUAHUZES-GHMZBOCLSA-N 1 0 227.304 0.618 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2OC)CC1 ZINC000932141341 640437970 /nfs/dbraw/zinc/43/79/70/640437970.db2.gz WEGKTPQNGDFDEA-VXGBXAGGSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cncnc2)CC1 ZINC000991488681 640439591 /nfs/dbraw/zinc/43/95/91/640439591.db2.gz MHDBPXPXOMVUKJ-UHFFFAOYSA-N 1 0 244.298 0.304 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@@H]1c1ccnn1C ZINC000932274862 640468913 /nfs/dbraw/zinc/46/89/13/640468913.db2.gz KUFYXTCQKHUNAM-GFCCVEGCSA-N 1 0 246.314 0.306 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)C(C)(C)OC ZINC000932367747 640501637 /nfs/dbraw/zinc/50/16/37/640501637.db2.gz QXBYIXGJCJVUQA-VIFPVBQESA-N 1 0 212.293 0.139 20 30 BCEDRO C#CC[N@@H+](CCc1nnnn1C)C(C)C ZINC000932383102 640509860 /nfs/dbraw/zinc/50/98/60/640509860.db2.gz DTFXOJPBOIBKES-UHFFFAOYSA-N 1 0 207.281 0.096 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)CO[C@H](C)COC)C(C)C ZINC000932387376 640515343 /nfs/dbraw/zinc/51/53/43/640515343.db2.gz HVLZPMDGCBUVDJ-CHWSQXEVSA-N 1 0 243.347 0.742 20 30 BCEDRO C#CCN(CCNS(=O)(=O)CC)C(C)C ZINC000932390123 640517247 /nfs/dbraw/zinc/51/72/47/640517247.db2.gz GYGHBZVIQVJZTH-UHFFFAOYSA-N 1 0 232.349 0.269 20 30 BCEDRO C#CC[N@@H+](CCC(=O)NC(=O)NC)C(C)C ZINC000932395353 640519631 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/nfs/dbraw/zinc/29/98/19/642299819.db2.gz CWLVRQULJRNEGW-UHFFFAOYSA-N 1 0 246.314 0.633 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(F)F)C1 ZINC001021769344 642315170 /nfs/dbraw/zinc/31/51/70/642315170.db2.gz LIIPIIKPYSXAGT-OCAPTIKFSA-N 1 0 216.231 0.512 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC001031572794 642325825 /nfs/dbraw/zinc/32/58/25/642325825.db2.gz NTDUTTOXZYDERJ-GFCCVEGCSA-N 1 0 238.331 0.647 20 30 BCEDRO CON1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000846971801 642343419 /nfs/dbraw/zinc/34/34/19/642343419.db2.gz OLVBWCZXYUFNLZ-WDEREUQCSA-N 1 0 209.293 0.858 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001021808548 642353353 /nfs/dbraw/zinc/35/33/53/642353353.db2.gz ZPUZVLAWMMGXQQ-GRYCIOLGSA-N 1 0 238.331 0.978 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC000971337247 642360914 /nfs/dbraw/zinc/36/09/14/642360914.db2.gz KLVQHPCPQSFHGC-ZDUSSCGKSA-N 1 0 245.326 0.805 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ocnc2C)C1 ZINC001031600823 642361152 /nfs/dbraw/zinc/36/11/52/642361152.db2.gz GZTOXROJKVSXED-UHFFFAOYSA-N 1 0 235.287 0.831 20 30 BCEDRO C#C[C@@H]1CCC[N@H+](CCn2cncn2)C1 ZINC000847018813 642386404 /nfs/dbraw/zinc/38/64/04/642386404.db2.gz MTWFIYYEIVXNHB-LLVKDONJSA-N 1 0 204.277 0.623 20 30 BCEDRO C#CCOCC[N@@H+]1CCCNC(=O)[C@H]1CC ZINC000933216844 642395882 /nfs/dbraw/zinc/39/58/82/642395882.db2.gz FSGFPMLBNKZXCD-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001021860159 642411111 /nfs/dbraw/zinc/41/11/11/642411111.db2.gz JGCONLCOKQGWJJ-GRYCIOLGSA-N 1 0 238.331 0.978 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001021860211 642412409 /nfs/dbraw/zinc/41/24/09/642412409.db2.gz LGAOTMRKFBFBRU-GRYCIOLGSA-N 1 0 236.315 0.426 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001021880255 642430141 /nfs/dbraw/zinc/43/01/41/642430141.db2.gz LMDNXDGZCGUVDW-MXWKQRLJSA-N 1 0 224.304 0.446 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccnn2C)C1 ZINC001021880783 642432185 /nfs/dbraw/zinc/43/21/85/642432185.db2.gz WJMVIZCXRDQANU-PHIMTYICSA-N 1 0 248.330 0.847 20 30 BCEDRO C=CC[N@@H+](CCCN1C(=O)CNC1=O)C(C)C ZINC000920086891 642435223 /nfs/dbraw/zinc/43/52/23/642435223.db2.gz QBVAHFXZXFVLGQ-UHFFFAOYSA-N 1 0 239.319 0.825 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ncoc2CC)C1 ZINC001021905147 642453816 /nfs/dbraw/zinc/45/38/16/642453816.db2.gz MZHGVFZRLNSJMS-AOOOYVTPSA-N 1 0 247.298 0.721 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cncc(C)c2)C1 ZINC001021928214 642459527 /nfs/dbraw/zinc/45/95/27/642459527.db2.gz OAKILCTTYLBFLW-BETUJISGSA-N 1 0 243.310 0.874 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC001021943495 642460298 /nfs/dbraw/zinc/46/02/98/642460298.db2.gz DMOIEXFNUXRNIZ-CXYFJQCHSA-N 1 0 232.327 0.903 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2ncn(C)n2)C1 ZINC001031652316 642460879 /nfs/dbraw/zinc/46/08/79/642460879.db2.gz CMNOVMMFIKAETF-UHFFFAOYSA-N 1 0 249.318 0.053 20 30 BCEDRO NC(=[NH2+])NN=Cc1csc(C2CC2)n1 ZINC000920375636 642482854 /nfs/dbraw/zinc/48/28/54/642482854.db2.gz NFJABEIQAHSUOH-UHFFFAOYSA-N 1 0 209.278 0.837 20 30 BCEDRO C#CCCOc1ccc(C=NNC(N)=[NH2+])cc1 ZINC000920374959 642483651 /nfs/dbraw/zinc/48/36/51/642483651.db2.gz DKAYBCUADQNFMU-UHFFFAOYSA-N 1 0 230.271 0.906 20 30 BCEDRO C#CCC[N@@H+](C)CC(=O)NCc1ccco1 ZINC000920417389 642489878 /nfs/dbraw/zinc/48/98/78/642489878.db2.gz DKYHDZVXDWWHQH-UHFFFAOYSA-N 1 0 220.272 0.851 20 30 BCEDRO C#CCCN1CC[NH+](C[C@H]2CCCO2)CC1 ZINC000920417635 642491553 /nfs/dbraw/zinc/49/15/53/642491553.db2.gz JNKRIYQRMFLQHP-CYBMUJFWSA-N 1 0 222.332 0.806 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OCC)C1 ZINC000920421891 642492281 /nfs/dbraw/zinc/49/22/81/642492281.db2.gz LAMGUMCKPRYUKK-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCC1([NH2+]CCCS(C)(=O)=O)CCC1 ZINC000933299100 642521651 /nfs/dbraw/zinc/52/16/51/642521651.db2.gz OWEZTSAZGUPQTI-UHFFFAOYSA-N 1 0 229.345 0.957 20 30 BCEDRO C#CCCCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000920754053 642545396 /nfs/dbraw/zinc/54/53/96/642545396.db2.gz DEQCIAHRVYJAMG-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=S)NCC[NH+](C)C ZINC000920994933 642566926 /nfs/dbraw/zinc/56/69/26/642566926.db2.gz MEWKPJLDZHHCRH-VIFPVBQESA-N 1 0 228.365 0.514 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925334127 642572641 /nfs/dbraw/zinc/57/26/41/642572641.db2.gz JCWWQEZRAZAKMK-HBNTYKKESA-N 1 0 223.320 0.742 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000263168807 642608251 /nfs/dbraw/zinc/60/82/51/642608251.db2.gz RSGHLIUGEDZFOI-GHMZBOCLSA-N 1 0 223.320 0.988 20 30 BCEDRO C#CCN(C(C)C)S(=O)(=O)CCC[NH+](C)C ZINC000921431307 642623859 /nfs/dbraw/zinc/62/38/59/642623859.db2.gz YVBOINQUBNHUMC-UHFFFAOYSA-N 1 0 246.376 0.612 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)OCCF)CC1 ZINC000921437111 642623978 /nfs/dbraw/zinc/62/39/78/642623978.db2.gz MRUVNBFDNYXCCC-UHFFFAOYSA-N 1 0 228.267 0.780 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000305006683 642633238 /nfs/dbraw/zinc/63/32/38/642633238.db2.gz IZNSVCCJDRZPFY-NSHDSACASA-N 1 0 243.351 0.839 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCC2(C1)OCCO2 ZINC000305097981 642640563 /nfs/dbraw/zinc/64/05/63/642640563.db2.gz WFSWQWCCMJDWHC-LLVKDONJSA-N 1 0 227.304 0.762 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC000961395191 642686517 /nfs/dbraw/zinc/68/65/17/642686517.db2.gz LFMRGDRPWXUFBF-IAZYJMLFSA-N 1 0 245.282 0.358 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocc1C ZINC000961482747 642690488 /nfs/dbraw/zinc/69/04/88/642690488.db2.gz QBFAHNHYSADGIR-PJXYFTJBSA-N 1 0 244.294 0.881 20 30 BCEDRO [NH2+]=C(NCCCCCCO)N1CCOCC1 ZINC000305775169 642693553 /nfs/dbraw/zinc/69/35/53/642693553.db2.gz NFHQBVQVMFKLSN-UHFFFAOYSA-N 1 0 229.324 0.186 20 30 BCEDRO CN(C(=[NH2+])NC[C@H](O)c1ccco1)C1CC1 ZINC000305796080 642695904 /nfs/dbraw/zinc/69/59/04/642695904.db2.gz ALLNTFFPARYNCA-VIFPVBQESA-N 1 0 223.276 0.722 20 30 BCEDRO CN(C(=[NH2+])NCCCN1CCCC1=O)C1CC1 ZINC000305835102 642703549 /nfs/dbraw/zinc/70/35/49/642703549.db2.gz WJDJUKOKVXHOQM-UHFFFAOYSA-N 1 0 238.335 0.408 20 30 BCEDRO Cc1nn(C)c(C)c1CCNC(=[NH2+])N(C)C1CC1 ZINC000305836325 642705080 /nfs/dbraw/zinc/70/50/80/642705080.db2.gz WZCHSUNRNBFDJP-UHFFFAOYSA-N 1 0 249.362 0.988 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1CC ZINC000961826323 642706966 /nfs/dbraw/zinc/70/69/66/642706966.db2.gz SFUCPYWGCMEJOS-KVSVUVNWSA-N 1 0 232.327 0.712 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1ccnn1C ZINC000305845121 642709922 /nfs/dbraw/zinc/70/99/22/642709922.db2.gz BOUTTXLTKWGOKK-UHFFFAOYSA-N 1 0 207.281 0.053 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CCC2 ZINC000961901024 642710635 /nfs/dbraw/zinc/71/06/35/642710635.db2.gz ACKMZVPTYWBSPY-XQHKEYJVSA-N 1 0 244.338 0.856 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@]1(C)CCOC1 ZINC000962144569 642716483 /nfs/dbraw/zinc/71/64/83/642716483.db2.gz ODGALPAMQJWXJN-OWTLIXCDSA-N 1 0 248.326 0.093 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nocc1C ZINC000962213209 642723377 /nfs/dbraw/zinc/72/33/77/642723377.db2.gz FWIDKZAFEIFROM-IAZYJMLFSA-N 1 0 247.298 0.829 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](C)[C@@H](NC(C)=O)C1 ZINC000964574899 642754157 /nfs/dbraw/zinc/75/41/57/642754157.db2.gz LTHOQVXXERMFHG-PWSUYJOCSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](C)[C@@H](NC(C)=O)C1 ZINC000964579003 642758427 /nfs/dbraw/zinc/75/84/27/642758427.db2.gz TTYYDLQXOUJEOI-JQWIXIFHSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnc(C)cn2)C1 ZINC000966582801 642788263 /nfs/dbraw/zinc/78/82/63/642788263.db2.gz KQDGPRZXXNSGMV-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000966872565 642790990 /nfs/dbraw/zinc/79/09/90/642790990.db2.gz OSJMYKYVJNDHFW-MNOVXSKESA-N 1 0 224.304 0.542 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000966859039 642792161 /nfs/dbraw/zinc/79/21/61/642792161.db2.gz XDLMZCRIEOVAAY-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccoc2)C1 ZINC000966966865 642793518 /nfs/dbraw/zinc/79/35/18/642793518.db2.gz JABNKGSUMLPCKV-LLVKDONJSA-N 1 0 218.256 0.717 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cccn2)C1 ZINC000967032213 642793642 /nfs/dbraw/zinc/79/36/42/642793642.db2.gz SAQBRGONUWTDFK-LLVKDONJSA-N 1 0 234.303 0.260 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000966911132 642795438 /nfs/dbraw/zinc/79/54/38/642795438.db2.gz UFHYMOPFGLRKMY-SNVBAGLBSA-N 1 0 235.287 0.973 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccon2)C1 ZINC000967361355 642798299 /nfs/dbraw/zinc/79/82/99/642798299.db2.gz CNBCHFNNFRZZCM-SECBINFHSA-N 1 0 221.260 0.665 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cncnc2C)C1 ZINC000967376413 642798875 /nfs/dbraw/zinc/79/88/75/642798875.db2.gz LWMRDXLOSXRYQC-LLVKDONJSA-N 1 0 244.298 0.222 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000967311396 642799617 /nfs/dbraw/zinc/79/96/17/642799617.db2.gz UWFYUQPECUZKDY-LLVKDONJSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(CC)n[nH]2)C1 ZINC000967263725 642799790 /nfs/dbraw/zinc/79/97/90/642799790.db2.gz WTTUURAEGIWJIW-LLVKDONJSA-N 1 0 246.314 0.409 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 ZINC000967289884 642799864 /nfs/dbraw/zinc/79/98/64/642799864.db2.gz VRPJLPFTODEXEX-NWDGAFQWSA-N 1 0 246.314 0.268 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC000967563034 642800541 /nfs/dbraw/zinc/80/05/41/642800541.db2.gz CQZJNHSOXBCHFJ-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO Cc1nn(C)c(C)c1CCCNC(=[NH2+])N(C)C ZINC000180516551 642801235 /nfs/dbraw/zinc/80/12/35/642801235.db2.gz BOPUOXZBGNPPDN-UHFFFAOYSA-N 1 0 237.351 0.846 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2c(C)ncn2C)C1 ZINC001031747940 642801434 /nfs/dbraw/zinc/80/14/34/642801434.db2.gz SGHCLKDKPOWTST-UHFFFAOYSA-N 1 0 248.330 0.576 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cnn(C)c2)C1 ZINC000967645513 642802035 /nfs/dbraw/zinc/80/20/35/642802035.db2.gz OXZMSJPQTGLOID-GFCCVEGCSA-N 1 0 248.330 0.339 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cncc(C)c2)C1 ZINC000968283073 642806525 /nfs/dbraw/zinc/80/65/25/642806525.db2.gz LSNPMBSGZPKUCD-CYBMUJFWSA-N 1 0 243.310 0.827 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccncc2F)C1 ZINC000968252880 642806629 /nfs/dbraw/zinc/80/66/29/642806629.db2.gz VHAATACQHSDYRS-SNVBAGLBSA-N 1 0 247.273 0.658 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000968410338 642810804 /nfs/dbraw/zinc/81/08/04/642810804.db2.gz HCZYMLAOOCTAMX-SNVBAGLBSA-N 1 0 234.303 0.410 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 ZINC000968542354 642814656 /nfs/dbraw/zinc/81/46/56/642814656.db2.gz RGMARIRWRZDGHI-VXGBXAGGSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000968617764 642816019 /nfs/dbraw/zinc/81/60/19/642816019.db2.gz MUHIHMCDIMPLQO-SNVBAGLBSA-N 1 0 234.303 0.708 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@@H]([NH2+]CCF)C1 ZINC000968627084 642816132 /nfs/dbraw/zinc/81/61/32/642816132.db2.gz MBEKTGKVPUOLJZ-LLVKDONJSA-N 1 0 224.279 0.560 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC000968633723 642816173 /nfs/dbraw/zinc/81/61/73/642816173.db2.gz BWXSDKCPVCNVKU-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001006957577 642824967 /nfs/dbraw/zinc/82/49/67/642824967.db2.gz IPNMFLFTCNNZQY-GFCCVEGCSA-N 1 0 249.314 0.984 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001009435449 642836623 /nfs/dbraw/zinc/83/66/23/642836623.db2.gz MOWLQWYLSRFCCU-LLVKDONJSA-N 1 0 249.318 0.045 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccccn2)C1 ZINC001009901224 642846576 /nfs/dbraw/zinc/84/65/76/642846576.db2.gz JSKFCCIFWCFQOW-LBPRGKRZSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)on2)C1 ZINC001010064983 642848590 /nfs/dbraw/zinc/84/85/90/642848590.db2.gz BOZOHJVPLZEVKS-LLVKDONJSA-N 1 0 247.298 0.810 20 30 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234.303 0.790 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010361932 642859060 /nfs/dbraw/zinc/85/90/60/642859060.db2.gz TVQSXUYFHTVJJT-VXGBXAGGSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010361926 642859272 /nfs/dbraw/zinc/85/92/72/642859272.db2.gz TVQSXUYFHTVJJT-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010359320 642860399 /nfs/dbraw/zinc/86/03/99/642860399.db2.gz MUOUOEPJKHRYSM-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001010388011 642862621 /nfs/dbraw/zinc/86/26/21/642862621.db2.gz LQIUZAJZYDZMIZ-NSHDSACASA-N 1 0 235.287 0.594 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001010388009 642863579 /nfs/dbraw/zinc/86/35/79/642863579.db2.gz LQIUZAJZYDZMIZ-LLVKDONJSA-N 1 0 235.287 0.594 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010405180 642863622 /nfs/dbraw/zinc/86/36/22/642863622.db2.gz 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/nfs/dbraw/zinc/86/92/33/642869233.db2.gz QXAKSGSKDVREET-GFCCVEGCSA-N 1 0 218.300 0.920 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)Cc2ncc[nH]2)C[C@@H]1C ZINC000939407239 642869343 /nfs/dbraw/zinc/86/93/43/642869343.db2.gz AGRFONJJFOIWIR-QWRGUYRKSA-N 1 0 248.330 0.575 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)[C@@H](C)n2cncn2)C1 ZINC001010676572 642872614 /nfs/dbraw/zinc/87/26/14/642872614.db2.gz PXGHJJLTTDVPIU-GHMZBOCLSA-N 1 0 249.318 0.216 20 30 BCEDRO CN(C)C(=[NH+]CCCn1ccnn1)N(C)C ZINC000181493424 642877343 /nfs/dbraw/zinc/87/73/43/642877343.db2.gz FNVFFTMMPOGDDB-UHFFFAOYSA-N 1 0 224.312 0.147 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001014520369 642892085 /nfs/dbraw/zinc/89/20/85/642892085.db2.gz GYJDOQPFUJJFJF-GFCCVEGCSA-N 1 0 231.299 0.842 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001015598508 642915355 /nfs/dbraw/zinc/91/53/55/642915355.db2.gz PXYIBWPUEZYXLM-LLVKDONJSA-N 1 0 235.287 0.594 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)CC2=CCOCC2)C1 ZINC001015661410 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ZINC001015905501 642941446 /nfs/dbraw/zinc/94/14/46/642941446.db2.gz PCYYBDVYEQJLBC-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cncn2)C1 ZINC001016192602 642945921 /nfs/dbraw/zinc/94/59/21/642945921.db2.gz MSCQPQLEMUQJSG-LLVKDONJSA-N 1 0 249.318 0.045 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001016108806 642947553 /nfs/dbraw/zinc/94/75/53/642947553.db2.gz XSXIPOWZERPKPF-LLVKDONJSA-N 1 0 246.314 0.084 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2cncn2)C1 ZINC001016189275 642947851 /nfs/dbraw/zinc/94/78/51/642947851.db2.gz XZFPIDCTOJTTFY-NSHDSACASA-N 1 0 249.318 0.045 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001016394228 642954842 /nfs/dbraw/zinc/95/48/42/642954842.db2.gz LXJRRDIIZMUVNF-LLVKDONJSA-N 1 0 234.303 0.260 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC001016425119 642958554 /nfs/dbraw/zinc/95/85/54/642958554.db2.gz QHRAZCHLMJXMEJ-SNVBAGLBSA-N 1 0 234.303 0.708 20 30 BCEDRO CC(C)OCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000182190131 642968511 /nfs/dbraw/zinc/96/85/11/642968511.db2.gz PXFIGFZRPQYURX-SNVBAGLBSA-N 1 0 229.324 0.495 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CCC2)C1 ZINC001018391215 642987186 /nfs/dbraw/zinc/98/71/86/642987186.db2.gz IGKRYIOPJOECSL-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001018396111 642990565 /nfs/dbraw/zinc/99/05/65/642990565.db2.gz DJYNGIIMMGEKTE-LBPRGKRZSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC001018475155 642993464 /nfs/dbraw/zinc/99/34/64/642993464.db2.gz XLBFUFXJHIXWCY-JTQLQIEISA-N 1 0 233.271 0.420 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C)n2C)C1 ZINC001018491286 642993879 /nfs/dbraw/zinc/99/38/79/642993879.db2.gz VZWXMMDIVVRKMN-LBPRGKRZSA-N 1 0 245.326 0.771 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cc[n+]([O-])cc2)C1 ZINC001018460784 642994815 /nfs/dbraw/zinc/99/48/15/642994815.db2.gz XIWHFVNWDFXZMI-LBPRGKRZSA-N 1 0 247.298 0.310 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cccn2C)C1 ZINC001018513075 642996600 /nfs/dbraw/zinc/99/66/00/642996600.db2.gz KFSKEDZYWAXZEE-NSHDSACASA-N 1 0 231.299 0.462 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC001018599998 643001115 /nfs/dbraw/zinc/00/11/15/643001115.db2.gz IUSOTZRJPQMQHU-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccon2)C1 ZINC001018562718 643001313 /nfs/dbraw/zinc/00/13/13/643001313.db2.gz IKXDWOQBIFVWJC-VIFPVBQESA-N 1 0 219.244 0.112 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001018572197 643001373 /nfs/dbraw/zinc/00/13/73/643001373.db2.gz KKZHJQAPQDDHTQ-JTQLQIEISA-N 1 0 234.303 0.708 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 ZINC001018579607 643001605 /nfs/dbraw/zinc/00/16/05/643001605.db2.gz PNHYHVWOAJLFDG-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO CC(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001018617232 643002792 /nfs/dbraw/zinc/00/27/92/643002792.db2.gz GZRDOBQQSUMCDB-QWRGUYRKSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]CC2CC2)C1 ZINC001018631522 643002831 /nfs/dbraw/zinc/00/28/31/643002831.db2.gz GEAYZWFEEUHTFI-ONGXEEELSA-N 1 0 221.304 0.747 20 30 BCEDRO CC(C)C[NH2+][C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001018617230 643003671 /nfs/dbraw/zinc/00/36/71/643003671.db2.gz GZRDOBQQSUMCDB-MNOVXSKESA-N 1 0 223.320 0.993 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC001018624199 643003812 /nfs/dbraw/zinc/00/38/12/643003812.db2.gz JGOXHIXJCXXGFU-JTQLQIEISA-N 1 0 232.287 0.155 20 30 BCEDRO CCC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001018616881 643004233 /nfs/dbraw/zinc/00/42/33/643004233.db2.gz AHBQCULJGQTVKG-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cocn2)C1 ZINC001018617442 643004241 /nfs/dbraw/zinc/00/42/41/643004241.db2.gz VGOATKLAVIWUQU-VIFPVBQESA-N 1 0 221.260 0.665 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnc(C)s2)C1 ZINC001018602746 643004294 /nfs/dbraw/zinc/00/42/94/643004294.db2.gz KCUGRFJBRQRKIH-JTQLQIEISA-N 1 0 249.339 0.889 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nccn2CC)C1 ZINC001018778683 643009694 /nfs/dbraw/zinc/00/96/94/643009694.db2.gz OBZVQYIAEKMPPS-NSHDSACASA-N 1 0 246.314 0.340 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nccc(C)n2)C1 ZINC001018780698 643010516 /nfs/dbraw/zinc/01/05/16/643010516.db2.gz CUJZTSOUKDKJBB-NSHDSACASA-N 1 0 244.298 0.222 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnnc(C)c2)C1 ZINC001018770349 643011473 /nfs/dbraw/zinc/01/14/73/643011473.db2.gz IQWDHBJVNRALDL-LBPRGKRZSA-N 1 0 244.298 0.222 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC001018803476 643011596 /nfs/dbraw/zinc/01/15/96/643011596.db2.gz QUFOACMFQSFUHJ-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](OC)C2CC2)C1 ZINC001018790185 643011642 /nfs/dbraw/zinc/01/16/42/643011642.db2.gz DPKRKFSPORGPLX-NWDGAFQWSA-N 1 0 236.315 0.235 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC001018822345 643014296 /nfs/dbraw/zinc/01/42/96/643014296.db2.gz KRLUABHTQGIYED-NSHDSACASA-N 1 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APSAXDJVRFENCS-JTQLQIEISA-N 1 0 235.287 0.973 20 30 BCEDRO Cc1cccc(CCNC(=[NH2+])NC2CC2)n1 ZINC000279974446 643040335 /nfs/dbraw/zinc/04/03/35/643040335.db2.gz JZLVFENUWLQCNW-UHFFFAOYSA-N 1 0 218.304 0.999 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)CC2CC2)C1 ZINC001019924656 643046185 /nfs/dbraw/zinc/04/61/85/643046185.db2.gz AWBYMSVIQVULCV-XYPYZODXSA-N 1 0 206.289 0.657 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccco2)C1 ZINC001019942153 643047851 /nfs/dbraw/zinc/04/78/51/643047851.db2.gz QDPFKDNXPUOPDB-MGCOHNPYSA-N 1 0 218.256 0.763 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001020017979 643051836 /nfs/dbraw/zinc/05/18/36/643051836.db2.gz MMMQRYIRULPGRO-SRVKXCTJSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001020010682 643052044 /nfs/dbraw/zinc/05/20/44/643052044.db2.gz ZHWYQMRJXCZUSP-XYPYZODXSA-N 1 0 246.314 0.212 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(F)nc2)C1 ZINC001020029665 643052371 /nfs/dbraw/zinc/05/23/71/643052371.db2.gz LAXFHQRRQXDHFM-XYPYZODXSA-N 1 0 247.273 0.704 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC(F)(F)C2)C1 ZINC001020058562 643054988 /nfs/dbraw/zinc/05/49/88/643054988.db2.gz NREOGADTWKQBMW-MGCOHNPYSA-N 1 0 242.269 0.902 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)ccn2C)C1 ZINC001020105599 643058864 /nfs/dbraw/zinc/05/88/64/643058864.db2.gz AUWXJEGEQHYNOT-HAQNSBGRSA-N 1 0 245.326 0.817 20 30 BCEDRO CNC(NCC[S@](=O)C(C)(C)C)=[NH+]C ZINC000304225032 643089064 /nfs/dbraw/zinc/08/90/64/643089064.db2.gz KPVLJJRQHXXWMI-AWEZNQCLSA-N 1 0 219.354 0.328 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2conc2C)C1 ZINC001031947105 643091046 /nfs/dbraw/zinc/09/10/46/643091046.db2.gz YVAZMHQBEYELKB-UHFFFAOYSA-N 1 0 247.298 0.668 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCCO2)C1 ZINC000969255018 643119065 /nfs/dbraw/zinc/11/90/65/643119065.db2.gz XLISVGLTPXEQFE-PWSUYJOCSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2coc(OC)n2)C1 ZINC001020440150 643121962 /nfs/dbraw/zinc/12/19/62/643121962.db2.gz YQCTVKTVYCORBI-KYZUINATSA-N 1 0 249.270 0.167 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnco2)C1 ZINC001020447242 643125895 /nfs/dbraw/zinc/12/58/95/643125895.db2.gz ORCJZJMOACAIEC-KYZUINATSA-N 1 0 219.244 0.158 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]C[C@](C)(O)CO ZINC000090286876 643137850 /nfs/dbraw/zinc/13/78/50/643137850.db2.gz SECIELIAQTUYTE-AWEZNQCLSA-N 1 0 249.310 0.532 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@H](C)C1 ZINC000941847138 643141847 /nfs/dbraw/zinc/14/18/47/643141847.db2.gz QTBQRWBVWHMCPD-MNOVXSKESA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@@H](C)C1 ZINC000941847140 643144076 /nfs/dbraw/zinc/14/40/76/643144076.db2.gz QTBQRWBVWHMCPD-WDEREUQCSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)c2ccn[nH]2)C1 ZINC000969331578 643145911 /nfs/dbraw/zinc/14/59/11/643145911.db2.gz DUPMHZBYMWFIBD-SNVBAGLBSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)c2ccon2)C1 ZINC000969352255 643149875 /nfs/dbraw/zinc/14/98/75/643149875.db2.gz RUFPAWYTLYHJOT-JTQLQIEISA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cnoc2)C1 ZINC001020500650 643165542 /nfs/dbraw/zinc/16/55/42/643165542.db2.gz CEFKGMAKFWFINL-XYPYZODXSA-N 1 0 233.271 0.087 20 30 BCEDRO C#CCC(C)(C)C(=O)NCC[N@H+](CC)CCO ZINC000183996643 643187130 /nfs/dbraw/zinc/18/71/30/643187130.db2.gz RHDFXNPGGXJDPV-UHFFFAOYSA-N 1 0 240.347 0.466 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC000969548504 643188651 /nfs/dbraw/zinc/18/86/51/643188651.db2.gz OAHKDUPPLNWMQT-SECBINFHSA-N 1 0 235.291 0.103 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC000969588362 643196087 /nfs/dbraw/zinc/19/60/87/643196087.db2.gz ILHXFPJGCMBQAF-GMTAPVOTSA-N 1 0 206.289 0.466 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000969683107 643211655 /nfs/dbraw/zinc/21/16/55/643211655.db2.gz YQKXNLKLPGNPFN-LLVKDONJSA-N 1 0 233.271 0.041 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2c(C)n[nH]c2C)C1 ZINC001032057028 643218005 /nfs/dbraw/zinc/21/80/05/643218005.db2.gz UXUOAYPKDIVPJP-UHFFFAOYSA-N 1 0 248.330 0.874 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](OC)C(C)C)C1 ZINC000969823267 643223971 /nfs/dbraw/zinc/22/39/71/643223971.db2.gz CUUPMQPPYYKIPC-NEPJUHHUSA-N 1 0 238.331 0.481 20 30 BCEDRO C=C[C@@](C)(CC)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969832693 643225739 /nfs/dbraw/zinc/22/57/39/643225739.db2.gz YBJWRIITQLWTBT-YPMHNXCESA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2nccs2)C1 ZINC001032069132 643231027 /nfs/dbraw/zinc/23/10/27/643231027.db2.gz FAJADAFZOROCFQ-UHFFFAOYSA-N 1 0 249.339 0.828 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001020611658 643236830 /nfs/dbraw/zinc/23/68/30/643236830.db2.gz NVLZQGXARFPMNX-VEGXAWMVSA-N 1 0 248.326 0.424 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2nccc2C)C1 ZINC001020652863 643255606 /nfs/dbraw/zinc/25/56/06/643255606.db2.gz INRWUHMKLVSRGN-HAQNSBGRSA-N 1 0 246.314 0.062 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC000970015576 643266420 /nfs/dbraw/zinc/26/64/20/643266420.db2.gz VFOCDKFGPULTDU-UPJWGTAASA-N 1 0 248.326 0.401 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)CSC)CC1(C)C ZINC000995413611 643269631 /nfs/dbraw/zinc/26/96/31/643269631.db2.gz DHQNDPDHUHRPMH-SNVBAGLBSA-N 1 0 240.372 0.809 20 30 BCEDRO C[NH+]=C(NCc1nc(C)no1)NC(C)C ZINC000072612287 643272607 /nfs/dbraw/zinc/27/26/07/643272607.db2.gz HLJDEUWBFNTNHD-UHFFFAOYSA-N 1 0 211.269 0.451 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2ccn(C)n2)C1 ZINC001032184483 643280320 /nfs/dbraw/zinc/28/03/20/643280320.db2.gz JLHBMJYZSMOISL-UHFFFAOYSA-N 1 0 246.314 0.105 20 30 BCEDRO C[C@H](C#N)OCCN1CC[NH+](CC2CC2)CC1 ZINC000306027719 643283034 /nfs/dbraw/zinc/28/30/34/643283034.db2.gz NCBXCZQSMZCHES-GFCCVEGCSA-N 1 0 237.347 0.943 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](COCC)C1 ZINC000081519716 643293540 /nfs/dbraw/zinc/29/35/40/643293540.db2.gz DPMCTYVKYUJGMU-LLVKDONJSA-N 1 0 224.304 0.094 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccnc(C)c2)C1 ZINC001020782418 643295445 /nfs/dbraw/zinc/29/54/45/643295445.db2.gz SFFBXNMIGZPVPY-JOCQHMNTSA-N 1 0 243.310 0.874 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCO[C@H]2C)C1 ZINC001020824837 643310420 /nfs/dbraw/zinc/31/04/20/643310420.db2.gz HLRBJTKMHVQRFD-BJDJZHNGSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)CC1(C)C ZINC000995519441 643323854 /nfs/dbraw/zinc/32/38/54/643323854.db2.gz IWDGUBDLVOWIEJ-LLVKDONJSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)OC)CC1(C)C ZINC000995526626 643325525 /nfs/dbraw/zinc/32/55/25/643325525.db2.gz BQCNPFPTQVCYSL-WDEREUQCSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000733356312 643335607 /nfs/dbraw/zinc/33/56/07/643335607.db2.gz IYQZGTWEFPQAEA-UHFFFAOYSA-N 1 0 237.347 0.993 20 30 BCEDRO CCOC(=O)C1CCN(C(=[NH2+])NC)CC1 ZINC000073109690 643387071 /nfs/dbraw/zinc/38/70/71/643387071.db2.gz GCVJLUCMSSYWDN-UHFFFAOYSA-N 1 0 213.281 0.206 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(CC)n2)C1 ZINC000970177433 643389451 /nfs/dbraw/zinc/38/94/51/643389451.db2.gz WFLXROXIDPMPLV-LLVKDONJSA-N 1 0 246.314 0.340 20 30 BCEDRO C=CCn1cc(C(=O)N2CC[C@@H]([NH2+]CC)C2)nn1 ZINC000970205857 643399047 /nfs/dbraw/zinc/39/90/47/643399047.db2.gz OMCWXICPDBCSGO-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC001021067113 643399553 /nfs/dbraw/zinc/39/95/53/643399553.db2.gz WFNDZFUPBNUDPM-XYPYZODXSA-N 1 0 244.298 0.269 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nccs2)C1 ZINC000970320144 643412981 /nfs/dbraw/zinc/41/29/81/643412981.db2.gz PRGYXUMGCVQGTH-SECBINFHSA-N 1 0 235.312 0.580 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncccc2F)C1 ZINC000970331450 643414117 /nfs/dbraw/zinc/41/41/17/643414117.db2.gz ZJZULOLHVZGWRH-SNVBAGLBSA-N 1 0 247.273 0.658 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000185961758 643416028 /nfs/dbraw/zinc/41/60/28/643416028.db2.gz CEFUGXLGGUYTSB-GHMZBOCLSA-N 1 0 235.331 0.792 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[N@@H+](C)C(C)C ZINC000185975984 643419175 /nfs/dbraw/zinc/41/91/75/643419175.db2.gz ZXFQDLLJYUBSIL-SNVBAGLBSA-N 1 0 211.309 0.648 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC)nn2)C1 ZINC000970362827 643420931 /nfs/dbraw/zinc/42/09/31/643420931.db2.gz YFIAKRXFNQKCNN-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000186007300 643422808 /nfs/dbraw/zinc/42/28/08/643422808.db2.gz NDUDRGNFQRBHGF-MNOVXSKESA-N 1 0 223.320 0.649 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2oncc2C)C1 ZINC000970389067 643422918 /nfs/dbraw/zinc/42/29/18/643422918.db2.gz APSAXDJVRFENCS-SNVBAGLBSA-N 1 0 235.287 0.973 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000186007320 643423428 /nfs/dbraw/zinc/42/34/28/643423428.db2.gz NDUDRGNFQRBHGF-WDEREUQCSA-N 1 0 223.320 0.649 20 30 BCEDRO CCNC(NCc1cc(C(N)=O)co1)=[NH+]CC ZINC000186017852 643425490 /nfs/dbraw/zinc/42/54/90/643425490.db2.gz WYKSAVBOKMNOHM-UHFFFAOYSA-N 1 0 238.291 0.454 20 30 BCEDRO COC[C@@H]([NH2+]CC(=O)NCCC#N)C(C)C ZINC000083399334 643445074 /nfs/dbraw/zinc/44/50/74/643445074.db2.gz TXBVGELRKOQWDS-SNVBAGLBSA-N 1 0 227.308 0.277 20 30 BCEDRO C#Cc1ccc(C(=O)N2CC[C@@H]([NH2+]CC)C2)cn1 ZINC000970520205 643453607 /nfs/dbraw/zinc/45/36/07/643453607.db2.gz RTPUGLACIDVIKE-CYBMUJFWSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ncc[nH]2)CC1(C)C ZINC000995794014 643457033 /nfs/dbraw/zinc/45/70/33/643457033.db2.gz SFUGRMJVTNQKFO-JTQLQIEISA-N 1 0 246.314 0.483 20 30 BCEDRO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OC ZINC001032302615 643473650 /nfs/dbraw/zinc/47/36/50/643473650.db2.gz DCWKVKXIYHIQSB-WOPDTQHZSA-N 1 0 238.331 0.883 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCOC1 ZINC001032307403 643484297 /nfs/dbraw/zinc/48/42/97/643484297.db2.gz MHTXZXVRYCWXPK-AGIUHOORSA-N 1 0 248.326 0.331 20 30 BCEDRO C=CCC[NH+]1CC([C@H](C)NC(=O)c2nnc[nH]2)C1 ZINC000970616780 643484928 /nfs/dbraw/zinc/48/49/28/643484928.db2.gz PMMOCZFXPYLKIB-VIFPVBQESA-N 1 0 249.318 0.431 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cnon2)C1 ZINC000970620912 643485875 /nfs/dbraw/zinc/48/58/75/643485875.db2.gz YLBMSJKNNHVYGG-MRVPVSSYSA-N 1 0 236.275 0.306 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2ncccn2)C1 ZINC000970623775 643486487 /nfs/dbraw/zinc/48/64/87/643486487.db2.gz ZRLICBXUODCFEU-SNVBAGLBSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]cc2C)C1 ZINC000970710210 643506620 /nfs/dbraw/zinc/50/66/20/643506620.db2.gz XVBIEQNGAZJRTE-LLVKDONJSA-N 1 0 231.299 0.760 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccnc(C)n2)C1 ZINC000970740552 643525225 /nfs/dbraw/zinc/52/52/25/643525225.db2.gz FTSAFGMEQOUUJP-LLVKDONJSA-N 1 0 244.298 0.222 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H](F)CC)CC1 ZINC000996885091 643534194 /nfs/dbraw/zinc/53/41/94/643534194.db2.gz XPOGLVCXMGJUKV-NSHDSACASA-N 1 0 226.295 0.948 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2ccnnc2)CC1 ZINC000997035628 643575166 /nfs/dbraw/zinc/57/51/66/643575166.db2.gz CISPZZQDEKCRAT-UHFFFAOYSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2cnn(C)n2)CC1 ZINC000997092931 643580430 /nfs/dbraw/zinc/58/04/30/643580430.db2.gz BBTJIOHIFBOZMH-UHFFFAOYSA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000970885266 643586677 /nfs/dbraw/zinc/58/66/77/643586677.db2.gz ZGGZEPZRCQZBIB-SNVBAGLBSA-N 1 0 234.303 0.708 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1cnccn1 ZINC000320294124 643653909 /nfs/dbraw/zinc/65/39/09/643653909.db2.gz QVVRDEQNHOGCKE-JTQLQIEISA-N 1 0 207.277 0.893 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CSC)C1 ZINC000971033559 643680963 /nfs/dbraw/zinc/68/09/63/643680963.db2.gz CPAKLGAAERMPRT-SNVBAGLBSA-N 1 0 226.345 0.515 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000971051595 643687055 /nfs/dbraw/zinc/68/70/55/643687055.db2.gz HVUWUXRFOXMFRT-LBPRGKRZSA-N 1 0 248.330 0.752 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cccnc2)C1 ZINC000998361610 643701530 /nfs/dbraw/zinc/70/15/30/643701530.db2.gz HKYMXRUYAZKUHX-UHFFFAOYSA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)CC2CC2)C1 ZINC000998351587 643701699 /nfs/dbraw/zinc/70/16/99/643701699.db2.gz FWTIBKLDOLZKTD-UHFFFAOYSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ccccn2)C1 ZINC000998385665 643702883 /nfs/dbraw/zinc/70/28/83/643702883.db2.gz SHJCMYACICXAKU-LBPRGKRZSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000998422192 643705919 /nfs/dbraw/zinc/70/59/19/643705919.db2.gz JBSOELUILLQTJR-LLVKDONJSA-N 1 0 244.298 0.304 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cocn2)C1 ZINC000998526630 643709932 /nfs/dbraw/zinc/70/99/32/643709932.db2.gz NZRKPRVCZWXYRF-UHFFFAOYSA-N 1 0 233.271 0.500 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC000998495075 643710656 /nfs/dbraw/zinc/71/06/56/643710656.db2.gz KHIKIGBKEMGPHW-GFCCVEGCSA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccon2)C1 ZINC000998607789 643715011 /nfs/dbraw/zinc/71/50/11/643715011.db2.gz QGJDALLPDWWNND-SNVBAGLBSA-N 1 0 233.271 0.502 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000998626201 643716040 /nfs/dbraw/zinc/71/60/40/643716040.db2.gz PYQCFGNUGCLEEI-LLVKDONJSA-N 1 0 232.287 0.237 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000998722884 643719452 /nfs/dbraw/zinc/71/94/52/643719452.db2.gz PUQZNYPSWCUPCV-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2ncc[nH]2)C1 ZINC000998745218 643720581 /nfs/dbraw/zinc/72/05/81/643720581.db2.gz CPNWWPJOOOCFSS-UHFFFAOYSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2n[nH]cc2C)C1 ZINC000998741669 643720595 /nfs/dbraw/zinc/72/05/95/643720595.db2.gz TYTGOPDGOWPWSZ-UHFFFAOYSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC000998791947 643722409 /nfs/dbraw/zinc/72/24/09/643722409.db2.gz MTHTYLZCQUJBKY-LBPRGKRZSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2ncn(C)n2)C1 ZINC000999081624 643728575 /nfs/dbraw/zinc/72/85/75/643728575.db2.gz DUMCXMYQUUERLN-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2n[nH]cc2C)C1 ZINC000999136754 643729593 /nfs/dbraw/zinc/72/95/93/643729593.db2.gz ZTXZGWMSVKWXLW-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000999114998 643729904 /nfs/dbraw/zinc/72/99/04/643729904.db2.gz UOYJHOOQHPHURD-ZJUUUORDSA-N 1 0 242.269 0.855 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC000999066342 643730871 /nfs/dbraw/zinc/73/08/71/643730871.db2.gz PABNUUZBKRESMZ-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2ccncn2)C1 ZINC000999567390 643737966 /nfs/dbraw/zinc/73/79/66/643737966.db2.gz VQUGEBSAAIWROQ-UHFFFAOYSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000999946373 643744667 /nfs/dbraw/zinc/74/46/67/643744667.db2.gz ATHJCRJGGFGDIN-WUHRBBMRSA-N 1 0 248.326 0.093 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001000292680 643772650 /nfs/dbraw/zinc/77/26/50/643772650.db2.gz YDLYEZPPYNNPPP-LBPRGKRZSA-N 1 0 246.314 0.857 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=C2CCCc3n[nH]cc32)N1 ZINC000814897587 643781212 /nfs/dbraw/zinc/78/12/12/643781212.db2.gz MDPQJCOAZAPKSA-ZETCQYMHSA-N 1 0 232.291 0.387 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccncn2)C1 ZINC001000478315 643783957 /nfs/dbraw/zinc/78/39/57/643783957.db2.gz DINUYLMCTMLMCU-LLVKDONJSA-N 1 0 244.298 0.304 20 30 BCEDRO C#CC[N@H+]1CC=C(CNC(=O)c2ccn[nH]2)CC1 ZINC001000469982 643785361 /nfs/dbraw/zinc/78/53/61/643785361.db2.gz LYJMDDYCMQIOCL-UHFFFAOYSA-N 1 0 244.298 0.405 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001000492422 643786040 /nfs/dbraw/zinc/78/60/40/643786040.db2.gz YUHWBFLXPLEICM-SECBINFHSA-N 1 0 235.291 0.185 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001000514611 643786730 /nfs/dbraw/zinc/78/67/30/643786730.db2.gz JMMLVZDQTQTKBQ-LLVKDONJSA-N 1 0 244.298 0.304 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001000558245 643790270 /nfs/dbraw/zinc/79/02/70/643790270.db2.gz GAEXJLBTPSXYLU-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001000928621 643798821 /nfs/dbraw/zinc/79/88/21/643798821.db2.gz ONJNDNVZDHQPHF-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 ZINC001000965079 643801069 /nfs/dbraw/zinc/80/10/69/643801069.db2.gz QREXOECIIHEHRK-ZDUSSCGKSA-N 1 0 245.326 0.771 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001001056452 643802396 /nfs/dbraw/zinc/80/23/96/643802396.db2.gz QTGRWCOEAXAAGE-GFCCVEGCSA-N 1 0 246.314 0.097 20 30 BCEDRO C=CC[N@H+]1CC=C(CNC(=O)c2nnc[nH]2)CC1 ZINC001001271704 643805097 /nfs/dbraw/zinc/80/50/97/643805097.db2.gz RJDVWUCEGLPLRK-UHFFFAOYSA-N 1 0 247.302 0.353 20 30 BCEDRO CC#CC[NH+]1CCC(NC(=O)C(F)F)CC1 ZINC001002205235 643810765 /nfs/dbraw/zinc/81/07/65/643810765.db2.gz WRKKOAYKDZFULA-UHFFFAOYSA-N 1 0 230.258 0.855 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]Cc1csc(C#N)c1 ZINC000921861764 643811005 /nfs/dbraw/zinc/81/10/05/643811005.db2.gz KVNGITGTKCNDER-SSDOTTSWSA-N 1 0 223.301 0.973 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H]2C[C@@]2(O)C1 ZINC000921904489 643821924 /nfs/dbraw/zinc/82/19/24/643821924.db2.gz LHWRCSGDOHCSEW-ZYHUDNBSSA-N 1 0 224.304 0.088 20 30 BCEDRO CC#CC[NH+]1CCC(NC(=O)c2ccon2)CC1 ZINC001002404744 643823882 /nfs/dbraw/zinc/82/38/82/643823882.db2.gz KMVSSNBTIHOFRJ-UHFFFAOYSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CCOCCNC(=O)NCC1([NH+](C)C)CC1 ZINC000921931578 643828063 /nfs/dbraw/zinc/82/80/63/643828063.db2.gz FZUPGVXZBLNRJG-UHFFFAOYSA-N 1 0 239.319 0.030 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000921980729 643837537 /nfs/dbraw/zinc/83/75/37/643837537.db2.gz NOESPTPYVWRZNT-HBNTYKKESA-N 1 0 236.319 0.682 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1[C@H](C)CC[C@@H]1CO ZINC000922015062 643846478 /nfs/dbraw/zinc/84/64/78/643846478.db2.gz NFYPWRZVWATEAF-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CC[NH+](CC=C)C[C@H](O)C1(O)CCC1 ZINC000929261017 643855869 /nfs/dbraw/zinc/85/58/69/643855869.db2.gz XJUKIIAJCNUKHN-NSHDSACASA-N 1 0 211.305 0.936 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c2c(nn1C)CCC2 ZINC000922139534 643870504 /nfs/dbraw/zinc/87/05/04/643870504.db2.gz CQRCOFOKKLHMQH-JTQLQIEISA-N 1 0 233.315 0.383 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000922139615 643870594 /nfs/dbraw/zinc/87/05/94/643870594.db2.gz DZSRFKPTJFOPHY-SNIKSBKOSA-N 1 0 235.327 0.774 20 30 BCEDRO CC#CC[NH+]1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC001003235716 643883949 /nfs/dbraw/zinc/88/39/49/643883949.db2.gz SOLMNBZVSPOLQM-UHFFFAOYSA-N 1 0 247.302 0.022 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922217933 643906445 /nfs/dbraw/zinc/90/64/45/643906445.db2.gz WWTAIKZELNWZDQ-NSHDSACASA-N 1 0 220.272 0.651 20 30 BCEDRO C=CCCCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000922248342 643919076 /nfs/dbraw/zinc/91/90/76/643919076.db2.gz ABTVLQMBEGHNSX-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCCCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000922248341 643919684 /nfs/dbraw/zinc/91/96/84/643919684.db2.gz ABTVLQMBEGHNSX-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C#CC[NH2+]CC(=O)N(CC)C[C@@H]1CCOC1 ZINC000086156942 643932494 /nfs/dbraw/zinc/93/24/94/643932494.db2.gz WPQAIJWDKZRVCX-NSHDSACASA-N 1 0 224.304 0.094 20 30 BCEDRO C#CC[NH2+]CC(=O)N(CC(C)C)C1CC1 ZINC000086156878 643933348 /nfs/dbraw/zinc/93/33/48/643933348.db2.gz UMCVEZDIURLJLZ-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CC[N@H+](C[C@@H](O)C1(O)CCOCC1)C(C)C ZINC000929292063 643965347 /nfs/dbraw/zinc/96/53/47/643965347.db2.gz GZBKRXJZLSJZDQ-GFCCVEGCSA-N 1 0 243.347 0.785 20 30 BCEDRO C=CC[N@H+](C[C@H](O)C1(O)CCOCC1)C(C)C ZINC000929292064 643965580 /nfs/dbraw/zinc/96/55/80/643965580.db2.gz GZBKRXJZLSJZDQ-LBPRGKRZSA-N 1 0 243.347 0.785 20 30 BCEDRO C#C[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000922525702 644014507 /nfs/dbraw/zinc/01/45/07/644014507.db2.gz NFUDFWFGDZZULA-HBNTYKKESA-N 1 0 223.320 0.790 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000922526819 644014561 /nfs/dbraw/zinc/01/45/61/644014561.db2.gz UXNIRQRFXKQRNJ-UWVGGRQHSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H](CC)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000922525701 644014739 /nfs/dbraw/zinc/01/47/39/644014739.db2.gz NFUDFWFGDZZULA-GMTAPVOTSA-N 1 0 223.320 0.790 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@@H]2COC[C@H]2C)nn1 ZINC000922641246 644056439 /nfs/dbraw/zinc/05/64/39/644056439.db2.gz YYSGOVXPWCDPLA-ZYHUDNBSSA-N 1 0 236.319 0.979 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C(=C)C[NH+](C)C ZINC000922741772 644081094 /nfs/dbraw/zinc/08/10/94/644081094.db2.gz BZCQFQLZAXQMEV-NSHDSACASA-N 1 0 226.320 0.548 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000922733811 644083391 /nfs/dbraw/zinc/08/33/91/644083391.db2.gz WRBZWPSILRNQCQ-NSHDSACASA-N 1 0 238.331 0.526 20 30 BCEDRO C#CC[NH+]1CCC(N(C)C(=O)CC)CC1 ZINC001005012751 644161318 /nfs/dbraw/zinc/16/13/18/644161318.db2.gz YBJFNEXJNARFQI-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000079264472 644167530 /nfs/dbraw/zinc/16/75/30/644167530.db2.gz OTQHKVXZEDPIHV-GFCCVEGCSA-N 1 0 235.331 0.889 20 30 BCEDRO CCN(C)C(=O)CNC(=[NH2+])N1CCCCC1 ZINC000187051970 644200282 /nfs/dbraw/zinc/20/02/82/644200282.db2.gz CYYMZEZCYSFYIR-UHFFFAOYSA-N 1 0 226.324 0.265 20 30 BCEDRO C=CCCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922986341 644216159 /nfs/dbraw/zinc/21/61/59/644216159.db2.gz UZAYVYJKBUSEIZ-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO CC#CCNC(=O)NCC1([NH+](C)C)CC1 ZINC000922991659 644218257 /nfs/dbraw/zinc/21/82/57/644218257.db2.gz JKLOXNWACZUEHI-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO C=CCCNC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000923222885 644291463 /nfs/dbraw/zinc/29/14/63/644291463.db2.gz RHTDDMCYLNGNJW-LLVKDONJSA-N 1 0 243.351 0.828 20 30 BCEDRO C=CCC[C@H](O)CN1CCC[C@@H]1C[NH2+]C ZINC000923295070 644333344 /nfs/dbraw/zinc/33/33/44/644333344.db2.gz RNCZDKJYTDELSU-NEPJUHHUSA-N 1 0 212.337 0.997 20 30 BCEDRO CC[C@@H](CO)NC(=[NH2+])NCCc1ccccc1 ZINC000187141383 644335568 /nfs/dbraw/zinc/33/55/68/644335568.db2.gz ZIOJJGAZSBVUSJ-LBPRGKRZSA-N 1 0 235.331 0.904 20 30 BCEDRO C#CC[NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000082344092 644369239 /nfs/dbraw/zinc/36/92/39/644369239.db2.gz VZSFJTTWXKHDRW-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CCCN1CCN(C(=O)c2cccnn2)CC1 ZINC000952372290 644377222 /nfs/dbraw/zinc/37/72/22/644377222.db2.gz CJLMSHBWRPLCDZ-UHFFFAOYSA-N 1 0 246.314 0.811 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000923361068 644386818 /nfs/dbraw/zinc/38/68/18/644386818.db2.gz HIPLFLCRRFVUPS-WOPDTQHZSA-N 1 0 212.337 0.996 20 30 BCEDRO C=CCC[C@H](O)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923408233 644409644 /nfs/dbraw/zinc/40/96/44/644409644.db2.gz CTJKVVBWUZEIKH-OLZOCXBDSA-N 1 0 242.363 0.360 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923521003 644483576 /nfs/dbraw/zinc/48/35/76/644483576.db2.gz XLFQOXIWNSYFCS-GRYCIOLGSA-N 1 0 237.347 0.218 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)/C=C/COC)C1 ZINC000923561008 644501036 /nfs/dbraw/zinc/50/10/36/644501036.db2.gz PEFZENVCIPJMDU-HOSRBBHYSA-N 1 0 236.315 0.403 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000923556929 644501057 /nfs/dbraw/zinc/50/10/57/644501057.db2.gz ZZYRXHZXPMJFBT-NWDGAFQWSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000923566654 644503178 /nfs/dbraw/zinc/50/31/78/644503178.db2.gz MYBKPDASZDBYPH-ZDUSSCGKSA-N 1 0 249.358 0.296 20 30 BCEDRO C#CC[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000088362453 644518031 /nfs/dbraw/zinc/51/80/31/644518031.db2.gz ADONCLVDTRDRPC-QWRGUYRKSA-N 1 0 208.305 0.904 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc([S@@](C)=O)cc1 ZINC000746366577 644583029 /nfs/dbraw/zinc/58/30/29/644583029.db2.gz BJBFRWSIPLQSQC-MRXNPFEDSA-N 1 0 238.316 0.631 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)c1cnn(C(C)C)c1 ZINC000754800357 644611340 /nfs/dbraw/zinc/61/13/40/644611340.db2.gz OJTWDJRXGRBPHC-LLVKDONJSA-N 1 0 248.330 0.864 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](C)CC[C@@H]1C ZINC000091440391 644627262 /nfs/dbraw/zinc/62/72/62/644627262.db2.gz RBIKHCZPPGFAKT-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=S)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000758240783 644637112 /nfs/dbraw/zinc/63/71/12/644637112.db2.gz GPXZADGGXJTZNY-GXSJLCMTSA-N 1 0 237.372 0.566 20 30 BCEDRO C#CCN(C(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000764446832 644657229 /nfs/dbraw/zinc/65/72/29/644657229.db2.gz NMIATJFHNHISJU-CYBMUJFWSA-N 1 0 247.342 0.001 20 30 BCEDRO C#CCCCSc1nnnn1CC[NH+](C)C ZINC000766295230 644666387 /nfs/dbraw/zinc/66/63/87/644666387.db2.gz NSKGXNUDKBPELG-UHFFFAOYSA-N 1 0 239.348 0.740 20 30 BCEDRO CC(C)N1CC(=NNC2=[NH+][C@@H](C)CN2)[C@H](C)C1 ZINC000779797739 644715071 /nfs/dbraw/zinc/71/50/71/644715071.db2.gz IQZVYJQCSPGTTE-ZJUUUORDSA-N 1 0 237.351 0.640 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnn3cccnc23)N1 ZINC000779797950 644715446 /nfs/dbraw/zinc/71/54/46/644715446.db2.gz LXONNWBZCXEJEL-MRVPVSSYSA-N 1 0 243.274 0.001 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc3c(c2)CCO3)N1 ZINC000779805342 644716747 /nfs/dbraw/zinc/71/67/47/644716747.db2.gz NDDLZCPPECXOSB-SECBINFHSA-N 1 0 244.298 0.893 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnc3cnccn23)N1 ZINC000779805634 644717403 /nfs/dbraw/zinc/71/74/03/644717403.db2.gz QQOSFHYTNIGWNN-MRVPVSSYSA-N 1 0 243.274 0.001 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccccn1 ZINC000779805747 644718654 /nfs/dbraw/zinc/71/86/54/644718654.db2.gz REPFNBUHBBJUTE-MRVPVSSYSA-N 1 0 217.276 0.743 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957783240 644751102 /nfs/dbraw/zinc/75/11/02/644751102.db2.gz DWALGJJTTCBPEF-RYUDHWBXSA-N 1 0 238.331 0.381 20 30 BCEDRO C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC000957863943 644758426 /nfs/dbraw/zinc/75/84/26/644758426.db2.gz NXFSIGJRKVEHGO-PWSUYJOCSA-N 1 0 249.314 0.223 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)F ZINC000958052423 644773522 /nfs/dbraw/zinc/77/35/22/644773522.db2.gz HKAGZJLNLSOMIX-MYJAWHEDSA-N 1 0 226.295 0.967 20 30 BCEDRO C=CCC[N@@H+](C)CCCS(=O)(=O)CCOC ZINC000786447189 644775021 /nfs/dbraw/zinc/77/50/21/644775021.db2.gz UFTYBPHYFWMGML-UHFFFAOYSA-N 1 0 249.376 0.946 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccn1 ZINC000958066710 644775357 /nfs/dbraw/zinc/77/53/57/644775357.db2.gz JJRCTUXUFQFKDN-PJXYFTJBSA-N 1 0 241.294 0.375 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnccn1 ZINC000958120355 644777777 /nfs/dbraw/zinc/77/77/77/644777777.db2.gz TWMULLMDPKNLMR-IAZYJMLFSA-N 1 0 244.298 0.323 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)no1 ZINC000958211699 644782922 /nfs/dbraw/zinc/78/29/22/644782922.db2.gz KCHBYJRJHMBLMV-IAZYJMLFSA-N 1 0 245.282 0.276 20 30 BCEDRO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC000958298659 644787388 /nfs/dbraw/zinc/78/73/88/644787388.db2.gz VNJLSFUWERNQJL-IAZYJMLFSA-N 1 0 246.314 0.646 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC000958337080 644789281 /nfs/dbraw/zinc/78/92/81/644789281.db2.gz YGDTXQWEXWFIJM-NNYUYHANSA-N 1 0 236.315 0.255 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCC1 ZINC000958373333 644792421 /nfs/dbraw/zinc/79/24/21/644792421.db2.gz FDUQWXLDRNCUOM-ITGUQSILSA-N 1 0 246.310 0.360 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn(C)c1 ZINC000958566598 644810331 /nfs/dbraw/zinc/81/03/31/644810331.db2.gz VHEKYZDQIAKEDO-ITGUQSILSA-N 1 0 245.326 0.871 20 30 BCEDRO CNC(NC[C@H](C)Cn1cccn1)=[NH+]C ZINC000303264311 644811500 /nfs/dbraw/zinc/81/15/00/644811500.db2.gz SBKBKIHTVIWRCZ-VIFPVBQESA-N 1 0 209.297 0.314 20 30 BCEDRO CCNC(NCCC(=O)NC(C)C)=[NH+]CC ZINC000303252779 644812399 /nfs/dbraw/zinc/81/23/99/644812399.db2.gz BWEOKLNOTLCTGX-UHFFFAOYSA-N 1 0 228.340 0.476 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCC(=O)N[C@@H](C)CC ZINC000303263578 644813042 /nfs/dbraw/zinc/81/30/42/644813042.db2.gz RCGLEYKHOQAPGF-UWVGGRQHSA-N 1 0 242.367 0.994 20 30 BCEDRO CNC(NC[C@@H](Cc1ccccc1)N(C)C)=[NH+]C ZINC000303265125 644813114 /nfs/dbraw/zinc/81/31/14/644813114.db2.gz UECDBSWLGNPLAH-CYBMUJFWSA-N 1 0 248.374 0.954 20 30 BCEDRO CNC(NCCCOCC(F)(F)F)=[NH+]C ZINC000303265562 644813125 /nfs/dbraw/zinc/81/31/25/644813125.db2.gz UXUDUBAEDOIVHS-UHFFFAOYSA-N 1 0 227.230 0.750 20 30 BCEDRO CCNC(NCCN(C)CCOC)=[NH+]CC ZINC000303409445 644821738 /nfs/dbraw/zinc/82/17/38/644821738.db2.gz VFXNUEYMDDMUBS-UHFFFAOYSA-N 1 0 230.356 0.140 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1[nH]ccc1C ZINC000958738573 644822620 /nfs/dbraw/zinc/82/26/20/644822620.db2.gz YVFQAELWEXYSEB-PJXYFTJBSA-N 1 0 243.310 0.616 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCCOC(C)C ZINC000303714269 644841064 /nfs/dbraw/zinc/84/10/64/644841064.db2.gz RHFRCBQXVKCYMJ-SNVBAGLBSA-N 1 0 231.340 0.741 20 30 BCEDRO CN(C)C(=O)CNC(=[NH2+])NCCc1ccccc1 ZINC000303771650 644844419 /nfs/dbraw/zinc/84/44/19/644844419.db2.gz CUTUPOHFIXOGDF-UHFFFAOYSA-N 1 0 248.330 0.222 20 30 BCEDRO CC(=O)NCCNC(=[NH2+])NCCc1ccccc1 ZINC000303769033 644844536 /nfs/dbraw/zinc/84/45/36/644844536.db2.gz ASORWTOYMSSUAK-UHFFFAOYSA-N 1 0 248.330 0.270 20 30 BCEDRO CC(C)C(=O)NCCNC(=[NH2+])NCC1CCC1 ZINC000303792167 644848264 /nfs/dbraw/zinc/84/82/64/644848264.db2.gz YESFIMJRJPKNFP-UHFFFAOYSA-N 1 0 240.351 0.463 20 30 BCEDRO COc1ccc(C=NNC(N)=[NH2+])cc1C ZINC000252453598 644852799 /nfs/dbraw/zinc/85/27/99/644852799.db2.gz ORKBMDFYRHLPSD-UHFFFAOYSA-N 1 0 206.249 0.821 20 30 BCEDRO CC(C)NC(=[NH2+])NCCNC(=O)c1cccnc1 ZINC000303883824 644854175 /nfs/dbraw/zinc/85/41/75/644854175.db2.gz IUBCKFGNTUVHBO-UHFFFAOYSA-N 1 0 249.318 0.124 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1cccc(C)n1 ZINC000303893963 644854767 /nfs/dbraw/zinc/85/47/67/644854767.db2.gz OLICATXHLRFORR-SNVBAGLBSA-N 1 0 236.319 0.829 20 30 BCEDRO CCCNC(=O)CCNC(=[NH2+])NCC1CCC1 ZINC000303886737 644854967 /nfs/dbraw/zinc/85/49/67/644854967.db2.gz NXYBEXJEUURZQW-UHFFFAOYSA-N 1 0 240.351 0.607 20 30 BCEDRO COCCOCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303903323 644856011 /nfs/dbraw/zinc/85/60/11/644856011.db2.gz YIETWGXLKDPTEB-NSHDSACASA-N 1 0 243.351 0.696 20 30 BCEDRO COCCOCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303903321 644856078 /nfs/dbraw/zinc/85/60/78/644856078.db2.gz YIETWGXLKDPTEB-LLVKDONJSA-N 1 0 243.351 0.696 20 30 BCEDRO CC(C)CNC(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000303976229 644861228 /nfs/dbraw/zinc/86/12/28/644861228.db2.gz JYUMCJFJLVZWEK-UHFFFAOYSA-N 1 0 242.367 0.709 20 30 BCEDRO C#Cc1cncc(C(=O)N2CC([NH+](C)C)C2)c1 ZINC000807173536 644861878 /nfs/dbraw/zinc/86/18/78/644861878.db2.gz JWMDGDJFRAAHJW-UHFFFAOYSA-N 1 0 229.283 0.449 20 30 BCEDRO C[NH+]=C(NCCOCC1CC1)NC1CC1 ZINC000303985133 644863146 /nfs/dbraw/zinc/86/31/46/644863146.db2.gz IARMSKVJCHLIEH-UHFFFAOYSA-N 1 0 211.309 0.740 20 30 BCEDRO COC(=O)[C@@H](C)CNC(=[NH2+])NCC1CCC1 ZINC000303981572 644863342 /nfs/dbraw/zinc/86/33/42/644863342.db2.gz PGYJTVFSZARUGB-QMMMGPOBSA-N 1 0 227.308 0.500 20 30 BCEDRO C=CCNC(=[NH2+])NCCS(=O)(=O)C(C)(C)C ZINC000304029917 644866912 /nfs/dbraw/zinc/86/69/12/644866912.db2.gz WDRGUDRUTNBYAN-UHFFFAOYSA-N 1 0 247.364 0.290 20 30 BCEDRO CNC(NCCN(C)CC(F)(F)F)=[NH+]C ZINC000304062048 644868685 /nfs/dbraw/zinc/86/86/85/644868685.db2.gz QEEYXJSQPHEDTA-UHFFFAOYSA-N 1 0 226.246 0.275 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000304209898 644876951 /nfs/dbraw/zinc/87/69/51/644876951.db2.gz DUZPDWHVNGRQPN-KOLCDFICSA-N 1 0 225.292 0.112 20 30 BCEDRO C[C@H](C#N)OCCSc1nc(N)cc(N)[nH+]1 ZINC000304257674 644881679 /nfs/dbraw/zinc/88/16/79/644881679.db2.gz SMAKDTRBAXKNOZ-ZCFIWIBFSA-N 1 0 239.304 0.662 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H](C2OCCO2)C1 ZINC000809573298 644891528 /nfs/dbraw/zinc/89/15/28/644891528.db2.gz HDRZRIUMUWMNRC-WDEREUQCSA-N 1 0 240.303 0.346 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(C[C@H](O)CC#N)C1 ZINC000809573461 644891864 /nfs/dbraw/zinc/89/18/64/644891864.db2.gz MLRFRIFOGAYEAR-GHMZBOCLSA-N 1 0 211.309 0.287 20 30 BCEDRO N#CC[C@@H](O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000809574408 644892460 /nfs/dbraw/zinc/89/24/60/644892460.db2.gz KMJMBHQYJIHPCY-QWHCGFSZSA-N 1 0 237.347 0.679 20 30 BCEDRO CCC[NH+]=C(NCC(=O)N(C)C)NC(C)(C)C ZINC000304326639 644893888 /nfs/dbraw/zinc/89/38/88/644893888.db2.gz SRNNFYMGHUKRBZ-UHFFFAOYSA-N 1 0 242.367 0.818 20 30 BCEDRO N#CC[C@@H](O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000809574407 644894192 /nfs/dbraw/zinc/89/41/92/644894192.db2.gz KMJMBHQYJIHPCY-CHWSQXEVSA-N 1 0 237.347 0.679 20 30 BCEDRO CON=CC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000809662174 644895088 /nfs/dbraw/zinc/89/50/88/644895088.db2.gz BRUSFLXXMQEIET-UHFFFAOYSA-N 1 0 227.308 0.561 20 30 BCEDRO C=CCNC(=[NH2+])NCc1csc(N(C)C)n1 ZINC000304529033 644913442 /nfs/dbraw/zinc/91/34/42/644913442.db2.gz MPLISOSPLZJVCK-UHFFFAOYSA-N 1 0 239.348 0.799 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCOC[C@H]1CCCO1 ZINC000304749677 644929026 /nfs/dbraw/zinc/92/90/26/644929026.db2.gz HXJOVHHAHHRBAO-LLVKDONJSA-N 1 0 241.335 0.662 20 30 BCEDRO CCCNC(=[NH2+])NC[C@H](C)CN1CCOCC1 ZINC000304742294 644929086 /nfs/dbraw/zinc/92/90/86/644929086.db2.gz CPKRDGUGCARLCH-NSHDSACASA-N 1 0 242.367 0.269 20 30 BCEDRO CCCCNC(=[NH2+])NCCOC[C@@H]1CCCO1 ZINC000304761368 644931148 /nfs/dbraw/zinc/93/11/48/644931148.db2.gz UJBSJWDZIWUPHV-NSHDSACASA-N 1 0 243.351 0.886 20 30 BCEDRO CCc1nncn1CCNC(=[NH2+])NC(C)(C)C ZINC000304794902 644933287 /nfs/dbraw/zinc/93/32/87/644933287.db2.gz MCYRDHCLNDVDFW-UHFFFAOYSA-N 1 0 238.339 0.543 20 30 BCEDRO CC1(CNC(=[NH2+])N2CCOCC2)CCC1 ZINC000304809989 644934937 /nfs/dbraw/zinc/93/49/37/644934937.db2.gz WAUKTPNNRUSJFF-UHFFFAOYSA-N 1 0 211.309 0.824 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253188120 644943512 /nfs/dbraw/zinc/94/35/12/644943512.db2.gz JPOWAACFWGUEQC-GHMZBOCLSA-N 1 0 225.336 0.205 20 30 BCEDRO C[C@@H]1C[N@@H+](C2CC2)CC1N=Nc1cnnn1C ZINC000814983682 644946925 /nfs/dbraw/zinc/94/69/25/644946925.db2.gz MKKSPLKGRAPZMG-MRVPVSSYSA-N 1 0 234.307 0.697 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000815061509 644949420 /nfs/dbraw/zinc/94/94/20/644949420.db2.gz XFIDZIJUKWQHFH-ZDUSSCGKSA-N 1 0 236.315 0.238 20 30 BCEDRO C=C(Cl)C[N@H+]1CC[C@H](C(=O)NC)C1 ZINC000817283984 644970014 /nfs/dbraw/zinc/97/00/14/644970014.db2.gz GKSRHRFKNJQFKF-QMMMGPOBSA-N 1 0 202.685 0.807 20 30 BCEDRO C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000819250200 645008404 /nfs/dbraw/zinc/00/84/04/645008404.db2.gz UUSIEPONGFGXMI-FRRDWIJNSA-N 1 0 239.363 0.971 20 30 BCEDRO CC(C)OC[C@@H](O)C[NH2+]Cc1ccc(C#N)cn1 ZINC000819314072 645011218 /nfs/dbraw/zinc/01/12/18/645011218.db2.gz QEUXBQCXEDOQEB-ZDUSSCGKSA-N 1 0 249.314 0.829 20 30 BCEDRO C#CC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000830316468 645118859 /nfs/dbraw/zinc/11/88/59/645118859.db2.gz UGQZRMZOVRHXMW-UHFFFAOYSA-N 1 0 234.299 0.481 20 30 BCEDRO C#CC1CC[NH+]([C@H](C)C(=O)NC2CC2)CC1 ZINC000830311917 645118903 /nfs/dbraw/zinc/11/89/03/645118903.db2.gz ZRWNRKHJNURFDC-SNVBAGLBSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)C1([NH+](C)C)CC1 ZINC000834364364 645139659 /nfs/dbraw/zinc/13/96/59/645139659.db2.gz YMGPYGDGKOMEMG-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC)C(OC)OC ZINC000834419610 645141911 /nfs/dbraw/zinc/14/19/11/645141911.db2.gz ZSSDSDBMONRFME-SNVBAGLBSA-N 1 0 244.335 0.618 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000834522109 645142470 /nfs/dbraw/zinc/14/24/70/645142470.db2.gz GDAXLZRGVPVXDC-NSHDSACASA-N 1 0 236.315 0.189 20 30 BCEDRO CC(C)COCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834521598 645142840 /nfs/dbraw/zinc/14/28/40/645142840.db2.gz NTTIZIJWWFCGLZ-WDEREUQCSA-N 1 0 239.319 0.277 20 30 BCEDRO C[C@H](NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N)C1CC1 ZINC000841507112 645218312 /nfs/dbraw/zinc/21/83/12/645218312.db2.gz SLTRCJLCTNDCQY-SFGNSQDASA-N 1 0 222.292 0.196 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)NC1CCCCC1 ZINC000841507068 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0.788 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)cn1 ZINC000928448567 645771972 /nfs/dbraw/zinc/77/19/72/645771972.db2.gz OBDFOAAUTKKUNS-GXFFZTMASA-N 1 0 243.310 0.885 20 30 BCEDRO CO[C@]1(C[NH2+]Cc2ccc(C#N)cn2)CCOC1 ZINC000877458655 645796500 /nfs/dbraw/zinc/79/65/00/645796500.db2.gz BCEXHXFYJUZAPW-ZDUSSCGKSA-N 1 0 247.298 0.848 20 30 BCEDRO C=CC(C)(C)CCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923671457 645812846 /nfs/dbraw/zinc/81/28/46/645812846.db2.gz QMWPXLRKANTSAD-UHFFFAOYSA-N 1 0 246.376 0.870 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)C1(O)CCC1)C1CC1 ZINC000930174951 645818111 /nfs/dbraw/zinc/81/81/11/645818111.db2.gz GBNBFZHPEKCBFF-NSHDSACASA-N 1 0 211.305 0.913 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000928562824 645824787 /nfs/dbraw/zinc/82/47/87/645824787.db2.gz IKGXWCVNNMRDSQ-CYBMUJFWSA-N 1 0 243.310 0.921 20 30 BCEDRO C#CCC1(O)CCN(C[C@H]2CCC[N@H+]2C)CC1 ZINC000880484520 645833668 /nfs/dbraw/zinc/83/36/68/645833668.db2.gz YQSZZMMRNULJPC-CYBMUJFWSA-N 1 0 236.359 0.931 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc2ccccn12 ZINC000883123743 645848973 /nfs/dbraw/zinc/84/89/73/645848973.db2.gz JXNPYYOVHYNFCR-LLVKDONJSA-N 1 0 229.283 0.808 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(F)nc1 ZINC000883124291 645849720 /nfs/dbraw/zinc/84/97/20/645849720.db2.gz CKYHLRSZZWKKQI-JTQLQIEISA-N 1 0 208.236 0.695 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C#CC)CC1 ZINC000928652594 645852214 /nfs/dbraw/zinc/85/22/14/645852214.db2.gz DYKJBQPLLMORGK-UHFFFAOYSA-N 1 0 204.273 0.224 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2cncs2)CC1 ZINC000928652696 645852872 /nfs/dbraw/zinc/85/28/72/645852872.db2.gz IYYAUSITLRYRDR-UHFFFAOYSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C2(O)CCC2)CC1 ZINC000928654210 645853167 /nfs/dbraw/zinc/85/31/67/645853167.db2.gz RFZNZEJSXUIPPO-UHFFFAOYSA-N 1 0 236.315 0.115 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C2(F)CC2)CC1 ZINC000928649522 645853305 /nfs/dbraw/zinc/85/33/05/645853305.db2.gz ORIBIIMPYJJHNP-UHFFFAOYSA-N 1 0 224.279 0.702 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@H](O)/C=C\C)CC1 ZINC000928649254 645853442 /nfs/dbraw/zinc/85/34/42/645853442.db2.gz WUYVVPLIPSKIJD-KTLBGCOUSA-N 1 0 236.315 0.137 20 30 BCEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC000884371876 645874642 /nfs/dbraw/zinc/87/46/42/645874642.db2.gz APCYFHZQEFLPTD-YUMQZZPRSA-N 1 0 220.276 0.742 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CC2CC2)C1 ZINC000884369807 645874757 /nfs/dbraw/zinc/87/47/57/645874757.db2.gz QHJGAISPQODTEU-AXFHLTTASA-N 1 0 221.304 0.922 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCN2CCOC2=O)C1 ZINC000886355523 645885180 /nfs/dbraw/zinc/88/51/80/645885180.db2.gz JUSYYOWEWYOLPP-NSHDSACASA-N 1 0 222.288 0.784 20 30 BCEDRO C#CC[NH+]1CCC(Nc2ncccn2)CC1 ZINC000928996978 645926226 /nfs/dbraw/zinc/92/62/26/645926226.db2.gz CLDHQZYLXYDKEP-UHFFFAOYSA-N 1 0 216.288 0.986 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CC)CO ZINC000035115006 645935911 /nfs/dbraw/zinc/93/59/11/645935911.db2.gz ZDKVSBYPBPHGFY-DTWKUNHWSA-N 1 0 200.282 0.038 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(C(=O)NC)CC1 ZINC000929194393 645999792 /nfs/dbraw/zinc/99/97/92/645999792.db2.gz VDEYIGCLMMEFAJ-NSHDSACASA-N 1 0 226.320 0.381 20 30 BCEDRO N#CC[C@@H](O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000929282490 646058925 /nfs/dbraw/zinc/05/89/25/646058925.db2.gz ALWAHYSJNOYINH-CHWSQXEVSA-N 1 0 237.347 0.821 20 30 BCEDRO Cn1nccc1[C@@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000929292638 646069934 /nfs/dbraw/zinc/06/99/34/646069934.db2.gz GAWWEWDQKPVZRZ-VXGBXAGGSA-N 1 0 248.330 0.874 20 30 BCEDRO CCOC(=O)CC[N@H+](C)C[C@H](O)CC#N ZINC000929477036 646133872 /nfs/dbraw/zinc/13/38/72/646133872.db2.gz VMAZJHPHHITSMF-SECBINFHSA-N 1 0 214.265 0.146 20 30 BCEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)c1cnn(C)n1 ZINC000924999332 646154764 /nfs/dbraw/zinc/15/47/64/646154764.db2.gz GQDQUPPZXLEOHW-JTQLQIEISA-N 1 0 248.334 0.454 20 30 BCEDRO C[C@H]1[C@H](C)OC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925003014 646155384 /nfs/dbraw/zinc/15/53/84/646155384.db2.gz MFQRZNRKNHXIQJ-GMXVVIOVSA-N 1 0 237.347 0.987 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)[C@@H](CO)c1ccccc1 ZINC000929503730 646156981 /nfs/dbraw/zinc/15/69/81/646156981.db2.gz KWCBEBAEBXHLBP-OLZOCXBDSA-N 1 0 234.299 0.926 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+]([C@H](C)C2CC2)CC1 ZINC000929511527 646159283 /nfs/dbraw/zinc/15/92/83/646159283.db2.gz PEJHNNTYTMVDJB-GFCCVEGCSA-N 1 0 249.358 0.152 20 30 BCEDRO N#CC[C@@H](O)C[NH+]1CCC(n2cccn2)CC1 ZINC000929607874 646197559 /nfs/dbraw/zinc/19/75/59/646197559.db2.gz DHVIOEUHPNQEKH-GFCCVEGCSA-N 1 0 234.303 0.795 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925332557 646243228 /nfs/dbraw/zinc/24/32/28/646243228.db2.gz PIGBJLMMMXMGHY-AXFHLTTASA-N 1 0 241.335 0.315 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925403647 646262352 /nfs/dbraw/zinc/26/23/52/646262352.db2.gz NFJAGSJMTLEJAM-UWVGGRQHSA-N 1 0 224.308 0.492 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CC[C@](F)(C#N)C1 ZINC000925419885 646272678 /nfs/dbraw/zinc/27/26/78/646272678.db2.gz GZBKGPTWJBQLNI-KOLCDFICSA-N 1 0 240.282 0.338 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](COCCOC)C1 ZINC000929733339 646276343 /nfs/dbraw/zinc/27/63/43/646276343.db2.gz RUMXRJWTCCWCJV-STQMWFEESA-N 1 0 243.347 0.908 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(CC(=O)NC)CC1 ZINC000929768301 646298316 /nfs/dbraw/zinc/29/83/16/646298316.db2.gz RASPCUOFYIPREV-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@H]1C[C@H](N(C)C[C@H](O)CC#N)CC[N@@H+]1C ZINC000929782381 646301055 /nfs/dbraw/zinc/30/10/55/646301055.db2.gz MGUQEWDNFVITTD-QJPTWQEYSA-N 1 0 225.336 0.675 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)C[C@H](C)C(=O)NC ZINC000929776354 646302390 /nfs/dbraw/zinc/30/23/90/646302390.db2.gz KIRUGNWWOQTHAA-UWVGGRQHSA-N 1 0 214.309 0.237 20 30 BCEDRO N#CC1(CCCC[N@@H+]2C[C@@H](O)[C@@H](O)C2)CCC1 ZINC000929773039 646302634 /nfs/dbraw/zinc/30/26/34/646302634.db2.gz RLFILFKTGXNJDF-TXEJJXNPSA-N 1 0 238.331 0.888 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CCSC[C@@H]1CCO ZINC000929831528 646346169 /nfs/dbraw/zinc/34/61/69/646346169.db2.gz FHAAOBWSRNOOCX-VHSXEESVSA-N 1 0 230.333 0.061 20 30 BCEDRO C=CCS(=O)(=O)CCN[C@H]1CC[NH2+]C1(C)C ZINC000925636312 646380066 /nfs/dbraw/zinc/38/00/66/646380066.db2.gz WWIWISIQXUSLQT-JTQLQIEISA-N 1 0 246.376 0.317 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H](c2ncc[nH]2)C1 ZINC000929992855 646388084 /nfs/dbraw/zinc/38/80/84/646388084.db2.gz WUYYHMXIOXWIOZ-WDEREUQCSA-N 1 0 234.303 0.864 20 30 BCEDRO N#CCC1(CN[C@H]2C[NH2+]CCOC2)CC1 ZINC000925652060 646391954 /nfs/dbraw/zinc/39/19/54/646391954.db2.gz BJVSHYRJMJWVHE-JTQLQIEISA-N 1 0 209.293 0.258 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000930073106 646419497 /nfs/dbraw/zinc/41/94/97/646419497.db2.gz YRSSVIBVYOXDDQ-GRYCIOLGSA-N 1 0 224.304 0.619 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cnnn1C ZINC000925698652 646423983 /nfs/dbraw/zinc/42/39/83/646423983.db2.gz SYUOOGUZFOQLCC-NXEZZACHSA-N 1 0 224.308 0.650 20 30 BCEDRO CS[C@@H]1CN(C[C@H](O)CC#N)C[C@H]1[NH+](C)C ZINC000930129117 646452201 /nfs/dbraw/zinc/45/22/01/646452201.db2.gz SDIZPSJUSLCWOE-GMTAPVOTSA-N 1 0 243.376 0.238 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000930142383 646453917 /nfs/dbraw/zinc/45/39/17/646453917.db2.gz KHHMMHCFGBECCY-WDEREUQCSA-N 1 0 224.304 0.230 20 30 BCEDRO C=C(C)C[C@H](CO)N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925772081 646473049 /nfs/dbraw/zinc/47/30/49/646473049.db2.gz PYQBGENJUODRJO-VPCRRHSYSA-N 1 0 236.359 0.900 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1[C@@H](C)COC[C@@H]1C ZINC000925980207 646552195 /nfs/dbraw/zinc/55/21/95/646552195.db2.gz XDJNDMHXLBBNFF-UWVGGRQHSA-N 1 0 226.320 0.549 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCOC[C@H]1C(C)C ZINC000925979320 646552253 /nfs/dbraw/zinc/55/22/53/646552253.db2.gz MDRCJNYAHCZLPB-NWDGAFQWSA-N 1 0 240.347 0.939 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C)c1cnnn1C ZINC000926117026 646577388 /nfs/dbraw/zinc/57/73/88/646577388.db2.gz VHXJOKADNCZYHZ-VIFPVBQESA-N 1 0 210.281 0.668 20 30 BCEDRO C[C@H](C[C@@H]1CCC(=O)N1)[NH2+]CCCC#N ZINC000926131574 646579039 /nfs/dbraw/zinc/57/90/39/646579039.db2.gz FWEUGBKTKKLWMQ-ZJUUUORDSA-N 1 0 209.293 0.937 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1COC[C@@H]1CC ZINC000926123989 646579853 /nfs/dbraw/zinc/57/98/53/646579853.db2.gz BHQZGNVKIUZFIL-QWRGUYRKSA-N 1 0 247.360 0.602 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926151630 646584393 /nfs/dbraw/zinc/58/43/93/646584393.db2.gz BZILDUULGQHFCE-IUCAKERBSA-N 1 0 210.281 0.403 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H]1C[C@@H](C)n2ncnc21 ZINC000926152830 646586184 /nfs/dbraw/zinc/58/61/84/646586184.db2.gz LGPJGAQZYQPKRH-BBBLOLIVSA-N 1 0 222.292 0.811 20 30 BCEDRO C=C[C@@H](C)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000381574941 711672681 /nfs/dbraw/zinc/67/26/81/711672681.db2.gz ZKIGRNVQBLYAKV-NXEZZACHSA-N 1 0 212.293 0.446 20 30 BCEDRO CNC(NC[C@@H]1CC[C@H](C(F)(F)F)O1)=[NH+]C ZINC000722395398 711753626 /nfs/dbraw/zinc/75/36/26/711753626.db2.gz WOTVJKAFZCSZQW-NKWVEPMBSA-N 1 0 239.241 0.891 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001075620026 711761192 /nfs/dbraw/zinc/76/11/92/711761192.db2.gz WNEANNLJGCHGRE-GRYCIOLGSA-N 1 0 233.315 0.865 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928566447 711779119 /nfs/dbraw/zinc/77/91/19/711779119.db2.gz PRUHNDAEIPYCMS-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CC[C@@H]1C ZINC000379648039 711805692 /nfs/dbraw/zinc/80/56/92/711805692.db2.gz BIRYVOCIIQNGAJ-UWVGGRQHSA-N 1 0 217.334 0.975 20 30 BCEDRO C=CCN1C[C@@H](O)[C@H](NC(=O)C2CCCC2)C1 ZINC001076666343 711807910 /nfs/dbraw/zinc/80/79/10/711807910.db2.gz UFXYQVNZAKUCKF-VXGBXAGGSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2C[C@H](C)CO2)C1 ZINC001031858152 711893391 /nfs/dbraw/zinc/89/33/91/711893391.db2.gz QJRRZCWQLIGJIN-CMPLNLGQSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)C2CC2)C1 ZINC001032854217 711963007 /nfs/dbraw/zinc/96/30/07/711963007.db2.gz RDBSQBRUPAOCSX-NSHDSACASA-N 1 0 206.289 0.562 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)C2CC2)C1 ZINC001032854600 711964504 /nfs/dbraw/zinc/96/45/04/711964504.db2.gz UWWNHJDTGSFOAT-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCCC[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000700826222 712007479 /nfs/dbraw/zinc/00/74/79/712007479.db2.gz GOUZENIVZGYFGP-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H](N)C[NH+](C)C ZINC000702373673 712049133 /nfs/dbraw/zinc/04/91/33/712049133.db2.gz VLHRFULOPFCPDR-JTQLQIEISA-N 1 0 211.309 0.076 20 30 BCEDRO CNC(NCC[C@@H]1CCSC1)=[NH+]C ZINC000704862793 712118763 /nfs/dbraw/zinc/11/87/63/712118763.db2.gz CTOLCNNFBDEACE-MRVPVSSYSA-N 1 0 201.339 0.924 20 30 BCEDRO CCC(O)(CC)C[N@H+](C)CC(=O)NCCC#N ZINC000706418073 712146079 /nfs/dbraw/zinc/14/60/79/712146079.db2.gz BDMLPPCYTAYYJJ-UHFFFAOYSA-N 1 0 241.335 0.499 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000707286578 712168332 /nfs/dbraw/zinc/16/83/32/712168332.db2.gz FXRZKKAENXVUOG-NXEZZACHSA-N 1 0 242.319 0.547 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@@H](CC)[NH2+]C ZINC000707333352 712167588 /nfs/dbraw/zinc/16/75/88/712167588.db2.gz GAXWOQMCFVANOQ-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO C#CCNC(=O)CN1CCO[C@@H](C(C)(C)C)C1 ZINC000708881112 712202899 /nfs/dbraw/zinc/20/28/99/712202899.db2.gz VYFZNXFSGFWUJK-LLVKDONJSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCCS(=O)(=O)NC1CC[NH+](C)CC1 ZINC000710958027 712267786 /nfs/dbraw/zinc/26/77/86/712267786.db2.gz HUTZBYHKXXUNOA-UHFFFAOYSA-N 1 0 230.333 0.023 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H]1CCC1(OC)OC ZINC000710956409 712267898 /nfs/dbraw/zinc/26/78/98/712267898.db2.gz VJEQVTJCDCXTJI-LBPRGKRZSA-N 1 0 240.347 0.683 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC1(OC)OC ZINC000710966441 712269719 /nfs/dbraw/zinc/26/97/19/712269719.db2.gz KEOCILJQXYVJBC-VIFPVBQESA-N 1 0 228.292 0.030 20 30 BCEDRO CC(=[NH+]N[C@H](C)CO)c1ccc(N)nc1 ZINC000378853951 712366240 /nfs/dbraw/zinc/36/62/40/712366240.db2.gz IIFLRALPZZQBSQ-SSDOTTSWSA-N 1 0 208.265 0.189 20 30 BCEDRO C[NH+](C)CC#CCNc1ncc(F)cn1 ZINC000717691820 712386092 /nfs/dbraw/zinc/38/60/92/712386092.db2.gz ZWFHZPHTKMAAPL-UHFFFAOYSA-N 1 0 208.240 0.593 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+]C1(CO)CCCC1 ZINC000379778647 712398967 /nfs/dbraw/zinc/39/89/67/712398967.db2.gz BGBOXMVXZLBMKC-JTQLQIEISA-N 1 0 212.293 0.810 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000758214951 712407986 /nfs/dbraw/zinc/40/79/86/712407986.db2.gz BXNBMGAABMZZJT-SECBINFHSA-N 1 0 223.345 0.320 20 30 BCEDRO CC[C@@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000772981821 712414672 /nfs/dbraw/zinc/41/46/72/712414672.db2.gz GKLKLXOZFGNTBX-JFJDQEMCSA-N 1 0 237.303 0.901 20 30 BCEDRO COC(=O)[C@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000390425367 712416988 /nfs/dbraw/zinc/41/69/88/712416988.db2.gz VJWCEQHSAOSXOZ-ZJUUUORDSA-N 1 0 226.276 0.410 20 30 BCEDRO C=CCC[NH+]1CCC(C(=O)NCCO)CC1 ZINC000712603555 712436883 /nfs/dbraw/zinc/43/68/83/712436883.db2.gz JPXZZWNJUWPLJH-UHFFFAOYSA-N 1 0 226.320 0.383 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713239401 712456091 /nfs/dbraw/zinc/45/60/91/712456091.db2.gz HCLWRFAIZBCXST-WYFGTUCQSA-N 1 0 221.304 0.874 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715079124 712506775 /nfs/dbraw/zinc/50/67/75/712506775.db2.gz VTJIYHJBXMMACC-OYNCUSHFSA-N 1 0 243.257 0.589 20 30 BCEDRO C#C[C@H](CC)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716121325 712550623 /nfs/dbraw/zinc/55/06/23/712550623.db2.gz QOYQAUWJXJTFPD-XNWIYYODSA-N 1 0 215.318 0.563 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000716857214 712578765 /nfs/dbraw/zinc/57/87/65/712578765.db2.gz PVUKUPTXGAKOMN-CHWSQXEVSA-N 1 0 240.347 0.335 20 30 BCEDRO C#CCC[N@@H+](CCOC)CC[C@H]1CCOC1=O ZINC000852752075 712612922 /nfs/dbraw/zinc/61/29/22/712612922.db2.gz OPCQUOXOTYEGRL-LBPRGKRZSA-N 1 0 239.315 0.911 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](COC)C1CC1 ZINC000876805864 712629684 /nfs/dbraw/zinc/62/96/84/712629684.db2.gz GTZQRUJJUVGGRL-UWVGGRQHSA-N 1 0 246.738 0.998 20 30 BCEDRO COc1ccnc(NCC#CC[NH+](C)C)n1 ZINC000717572979 712660892 /nfs/dbraw/zinc/66/08/92/712660892.db2.gz AZCVVYFMTNEZSG-UHFFFAOYSA-N 1 0 220.276 0.462 20 30 BCEDRO Cc1nc(C#N)cc(NCC#CC[NH+](C)C)n1 ZINC000717595351 712661133 /nfs/dbraw/zinc/66/11/33/712661133.db2.gz OSIGDYBIBPEJIR-UHFFFAOYSA-N 1 0 229.287 0.634 20 30 BCEDRO C[NH+](C)CC#CCNc1ncnc2c1CCC2 ZINC000717596528 712661201 /nfs/dbraw/zinc/66/12/01/712661201.db2.gz UQGITDWOFSEKDB-UHFFFAOYSA-N 1 0 230.315 0.942 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000717763257 712674319 /nfs/dbraw/zinc/67/43/19/712674319.db2.gz FTDYXAJWSNMOTO-SNVBAGLBSA-N 1 0 243.257 0.622 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CSC)[C@H]1CCCO1 ZINC000380159128 712702317 /nfs/dbraw/zinc/70/23/17/712702317.db2.gz AEIXQCWBKOIPOA-OUAUKWLOSA-N 1 0 229.345 0.481 20 30 BCEDRO C[C@H](C#N)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000718887228 712787979 /nfs/dbraw/zinc/78/79/79/712787979.db2.gz GFAGBOLEHQWXMU-MXWKQRLJSA-N 1 0 221.304 0.841 20 30 BCEDRO C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000718887224 712787892 /nfs/dbraw/zinc/78/78/92/712787892.db2.gz GFAGBOLEHQWXMU-AXFHLTTASA-N 1 0 221.304 0.841 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000720746996 712863126 /nfs/dbraw/zinc/86/31/26/712863126.db2.gz IRUFVTGBBSZZSM-VIFPVBQESA-N 1 0 232.349 0.561 20 30 BCEDRO N#Cc1csc(C[NH2+]C[C@H]2C[C@H](O)C2)n1 ZINC000720907101 712876495 /nfs/dbraw/zinc/87/64/95/712876495.db2.gz JHIFDZWKNKXMNU-XWEPSHTISA-N 1 0 223.301 0.875 20 30 BCEDRO C#CCN1CC[C@H]1CNC(=O)c1ccccn1 ZINC001037992985 712897314 /nfs/dbraw/zinc/89/73/14/712897314.db2.gz HXIDTYAAOHSQGP-NSHDSACASA-N 1 0 229.283 0.519 20 30 BCEDRO C#C[C@@H]([NH2+]CCOCCOC)[C@@H]1CCCO1 ZINC000381350281 710625689 /nfs/dbraw/zinc/62/56/89/710625689.db2.gz ASZXQYYKNHIPMG-NEPJUHHUSA-N 1 0 227.304 0.420 20 30 BCEDRO C=CCCOCC[NH2+]C1CCN(C=O)CC1 ZINC000381448346 710637157 /nfs/dbraw/zinc/63/71/57/710637157.db2.gz GETXSAQCHIZZOT-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO CC/C=C(\C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000381499617 710648275 /nfs/dbraw/zinc/64/82/75/710648275.db2.gz CBXLDTLLKFSJKZ-PSVJHUJZSA-N 1 0 207.277 0.570 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC000384138813 710659358 /nfs/dbraw/zinc/65/93/58/710659358.db2.gz FGLPCSGIVOWNEC-BXKDBHETSA-N 1 0 239.319 0.612 20 30 BCEDRO C#C[C@H](NCc1ccn(C)n1)[C@H]1CCCO1 ZINC000381602289 710660691 /nfs/dbraw/zinc/66/06/91/710660691.db2.gz OMFHRPZNWIITCJ-NWDGAFQWSA-N 1 0 219.288 0.691 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001018682726 710667657 /nfs/dbraw/zinc/66/76/57/710667657.db2.gz RTZLNCRLICYLKM-NSHDSACASA-N 1 0 244.298 0.876 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC001018759442 710669329 /nfs/dbraw/zinc/66/93/29/710669329.db2.gz RFBBOBQUHZJZBK-JTQLQIEISA-N 1 0 235.287 0.973 20 30 BCEDRO CC(C)(C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000393737167 710672054 /nfs/dbraw/zinc/67/20/54/710672054.db2.gz AMSQXZOXCMQJLM-RKDXNWHRSA-N 1 0 209.293 0.650 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]CC(C)(C)COC ZINC000381708814 710682676 /nfs/dbraw/zinc/68/26/76/710682676.db2.gz JXJKCATZLUDXAP-UHFFFAOYSA-N 1 0 249.376 0.849 20 30 BCEDRO CC#CCN1CC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001038289925 710682881 /nfs/dbraw/zinc/68/28/81/710682881.db2.gz RWSPOIJUJDIACB-LBPRGKRZSA-N 1 0 231.299 0.842 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)c1cccnc1 ZINC000381719354 710685817 /nfs/dbraw/zinc/68/58/17/710685817.db2.gz LPWAHSYEOQRRSB-SNVBAGLBSA-N 1 0 217.272 0.482 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@H](C)CC1(C)C ZINC000380387215 712900417 /nfs/dbraw/zinc/90/04/17/712900417.db2.gz ZUUIIHPSZCDPBG-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001038818299 710708331 /nfs/dbraw/zinc/70/83/31/710708331.db2.gz RSYCZFPDXLHFHL-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO CC#CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039027160 710717451 /nfs/dbraw/zinc/71/74/51/710717451.db2.gz JDAKWVLZPMYRPT-STQMWFEESA-N 1 0 249.358 0.152 20 30 BCEDRO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(=O)COC ZINC001039314616 710725353 /nfs/dbraw/zinc/72/53/53/710725353.db2.gz FNZSRZBNUJLHMQ-NEPJUHHUSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CC[N@H+]1CCC[C@]2(CCN(C(C)=O)C2)C1 ZINC001040026054 710756929 /nfs/dbraw/zinc/75/69/29/710756929.db2.gz ZSPKSJKEUACXOQ-ZDUSSCGKSA-N 1 0 220.316 0.954 20 30 BCEDRO C=CCN1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042545848 710790751 /nfs/dbraw/zinc/79/07/51/710790751.db2.gz JVCOYVOFBSINKN-GFCCVEGCSA-N 1 0 237.347 0.409 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001044780218 710830850 /nfs/dbraw/zinc/83/08/50/710830850.db2.gz DEZVGTGFFBEVAB-NXEZZACHSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnon2)[C@@H](C)C1 ZINC001044786493 710831186 /nfs/dbraw/zinc/83/11/86/710831186.db2.gz BVOXNPKCJAXDOL-UWVGGRQHSA-N 1 0 248.286 0.286 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(F)F)[C@@H](C)C1 ZINC001044393537 710824914 /nfs/dbraw/zinc/82/49/14/710824914.db2.gz LRHAWIDFQPVBTI-DTWKUNHWSA-N 1 0 230.258 0.854 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CSC)[C@H](C)C1 ZINC001044446209 710827361 /nfs/dbraw/zinc/82/73/61/710827361.db2.gz JBMYGQLQIFTYCU-MNOVXSKESA-N 1 0 240.372 0.952 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@@H](C)C1 ZINC001044517241 710827735 /nfs/dbraw/zinc/82/77/35/710827735.db2.gz GHBUQQZINSVLPM-UWVGGRQHSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c2)[C@@H](C)C1 ZINC001044486061 710828022 /nfs/dbraw/zinc/82/80/22/710828022.db2.gz IPEYGLIOLPMJQQ-CMPLNLGQSA-N 1 0 246.314 0.626 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2cnccn2)C1 ZINC001046109493 710850071 /nfs/dbraw/zinc/85/00/71/710850071.db2.gz NHWVLRODDYBCRR-ZDUSSCGKSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2cocn2)C1 ZINC001046192610 710854495 /nfs/dbraw/zinc/85/44/95/710854495.db2.gz PQZFKJLAJMUXQU-CYBMUJFWSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CC2(F)F)C1 ZINC001046299897 710859462 /nfs/dbraw/zinc/85/94/62/710859462.db2.gz STIKHDYZCUGTBI-KOLCDFICSA-N 1 0 242.269 0.855 20 30 BCEDRO CC#CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000801134889 710865107 /nfs/dbraw/zinc/86/51/07/710865107.db2.gz PYRYBGDCXYEJGC-GHMZBOCLSA-N 1 0 206.289 0.753 20 30 BCEDRO C#CCN1CC[C@@](C)(NC(=O)c2nccs2)C1 ZINC001046728875 710865238 /nfs/dbraw/zinc/86/52/38/710865238.db2.gz KQJNMGQDMVRFGM-GFCCVEGCSA-N 1 0 249.339 0.971 20 30 BCEDRO CC#CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000801134891 710865348 /nfs/dbraw/zinc/86/53/48/710865348.db2.gz PYRYBGDCXYEJGC-QWRGUYRKSA-N 1 0 206.289 0.753 20 30 BCEDRO C#CCC[N@@H+]1C[C@H]2CN(C(=O)CC)C[C@H]2C1 ZINC001048631451 710883470 /nfs/dbraw/zinc/88/34/70/710883470.db2.gz CALUBXBZRUWMSN-TXEJJXNPSA-N 1 0 220.316 0.810 20 30 BCEDRO CC[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048812304 710887961 /nfs/dbraw/zinc/88/79/61/710887961.db2.gz FTEMIJLYJVACPN-BETUJISGSA-N 1 0 232.327 0.810 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](F)CC)C[C@H]2C1 ZINC001048984306 710890280 /nfs/dbraw/zinc/89/02/80/710890280.db2.gz DCAVEZYMUKVMEX-TUAOUCFPSA-N 1 0 238.306 0.758 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)COC)C[C@@H]1C ZINC001054302326 710925295 /nfs/dbraw/zinc/92/52/95/710925295.db2.gz XFDRRMJQADZWTD-QWRGUYRKSA-N 1 0 226.320 0.645 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)CC2CC2)C[C@@H]1C ZINC001054324549 710928651 /nfs/dbraw/zinc/92/86/51/710928651.db2.gz OZSOJFGTSNZBIS-JQWIXIFHSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cccnc2)C[C@@H]1C ZINC001054328010 710929384 /nfs/dbraw/zinc/92/93/84/710929384.db2.gz AYUPWHBYBNKFKL-WCQYABFASA-N 1 0 243.310 0.765 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(C)(F)F)C[C@H]1C ZINC001054320694 710929431 /nfs/dbraw/zinc/92/94/31/710929431.db2.gz YLUIVSHTAGBVMY-RKDXNWHRSA-N 1 0 230.258 0.711 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccncc2)C[C@H]1C ZINC001054330266 710929862 /nfs/dbraw/zinc/92/98/62/710929862.db2.gz GOUBPQOKAIOVNJ-YPMHNXCESA-N 1 0 243.310 0.765 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1C ZINC001054374645 710931994 /nfs/dbraw/zinc/93/19/94/710931994.db2.gz RTIMDWMMLAZECK-CMPLNLGQSA-N 1 0 248.330 0.656 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1C ZINC001054482949 710935858 /nfs/dbraw/zinc/93/58/58/710935858.db2.gz UVUUIGRMOFOXHJ-QWRGUYRKSA-N 1 0 246.314 0.103 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC001054472047 710936111 /nfs/dbraw/zinc/93/61/11/710936111.db2.gz ZQOODGHKHWSPHA-BXKDBHETSA-N 1 0 248.330 0.954 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C ZINC001054482327 710936126 /nfs/dbraw/zinc/93/61/26/710936126.db2.gz MAPVURYEGUACLH-ZYHUDNBSSA-N 1 0 249.314 0.840 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cocn2)C[C@H]1C ZINC001054469076 710936535 /nfs/dbraw/zinc/93/65/35/710936535.db2.gz DEGKOLAGTWIFDK-ZJUUUORDSA-N 1 0 233.271 0.358 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1C ZINC001054560847 710937958 /nfs/dbraw/zinc/93/79/58/710937958.db2.gz VQWHSTHZPZYQLS-WDEREUQCSA-N 1 0 246.314 0.103 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C ZINC001054554137 710937963 /nfs/dbraw/zinc/93/79/63/710937963.db2.gz BBIJWXJWVCVTNS-GHMZBOCLSA-N 1 0 248.330 0.656 20 30 BCEDRO CC[NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001054566275 710938511 /nfs/dbraw/zinc/93/85/11/710938511.db2.gz AFMFEWITCSFSPL-CABZTGNLSA-N 1 0 246.314 0.956 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C ZINC001054641230 710940190 /nfs/dbraw/zinc/94/01/90/710940190.db2.gz GIDPBRWNHJNMEV-NXEZZACHSA-N 1 0 234.303 0.646 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C ZINC001054656876 710940561 /nfs/dbraw/zinc/94/05/61/710940561.db2.gz LTFSTINLDPJLRJ-GHMZBOCLSA-N 1 0 248.330 0.954 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cncn2C)C[C@H]1C ZINC001054867582 710942108 /nfs/dbraw/zinc/94/21/08/710942108.db2.gz ZJRKKUYKXCKNPM-MNOVXSKESA-N 1 0 246.314 0.103 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn[nH]c2)CC1 ZINC001052228376 710963700 /nfs/dbraw/zinc/96/37/00/710963700.db2.gz APUXDSGSNYBCBO-LBPRGKRZSA-N 1 0 246.314 0.627 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)CCCCO ZINC000384860587 710998649 /nfs/dbraw/zinc/99/86/49/710998649.db2.gz KAUUEFWJRLAEDX-JTQLQIEISA-N 1 0 200.282 0.619 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(O)c(C)c1 ZINC000382598736 710973815 /nfs/dbraw/zinc/97/38/15/710973815.db2.gz LVDPFCGTHVGDKG-UHFFFAOYSA-N 1 0 206.249 0.908 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C(C)(C)OCC ZINC000384099648 710989221 /nfs/dbraw/zinc/98/92/21/710989221.db2.gz IDBGZFLRLJROFT-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO CCC[N@H+](CCO[C@@H](C)C#N)CC(=O)N(C)C ZINC000384139218 710990435 /nfs/dbraw/zinc/99/04/35/710990435.db2.gz MKCWPNPJBMNTEU-NSHDSACASA-N 1 0 241.335 0.715 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@](C)(C#C)CC ZINC000384144750 710990510 /nfs/dbraw/zinc/99/05/10/710990510.db2.gz FFTXIBCOZQJVCL-CMPLNLGQSA-N 1 0 206.289 0.516 20 30 BCEDRO N#CCCOCC[N@H+]1CCCC[C@H]1CO ZINC000385229549 711009067 /nfs/dbraw/zinc/00/90/67/711009067.db2.gz NLYSBPCRZKOUIK-NSHDSACASA-N 1 0 212.293 0.763 20 30 BCEDRO COCCOCCCCNC1=[NH+]CCCN1C ZINC000386353489 711028238 /nfs/dbraw/zinc/02/82/38/711028238.db2.gz YMQRJPAGDNZPSW-UHFFFAOYSA-N 1 0 243.351 0.711 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000388194426 711054094 /nfs/dbraw/zinc/05/40/94/711054094.db2.gz NOHHVKYNDSHDMH-ZJUUUORDSA-N 1 0 212.293 0.618 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCCOC1)[C@@H]1CCCO1 ZINC000389601822 711082298 /nfs/dbraw/zinc/08/22/98/711082298.db2.gz VCSLZQHCMILSND-SRVKXCTJSA-N 1 0 209.289 0.936 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1cc(C(=O)OC)n(C)c1 ZINC000390568415 711125231 /nfs/dbraw/zinc/12/52/31/711125231.db2.gz ULNQHEGHIGBTIT-SECBINFHSA-N 1 0 220.272 0.923 20 30 BCEDRO COCCOCC[N@H+](C)CCO[C@@H](C)C#N ZINC000390685607 711131730 /nfs/dbraw/zinc/13/17/30/711131730.db2.gz ZWWKKELLWDOPFR-NSHDSACASA-N 1 0 230.308 0.510 20 30 BCEDRO CC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCC1 ZINC000390755258 711132154 /nfs/dbraw/zinc/13/21/54/711132154.db2.gz GXABJARWQQMHSB-RKDXNWHRSA-N 1 0 207.277 0.404 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N[C@@H]1CCOC1 ZINC000392772028 711152653 /nfs/dbraw/zinc/15/26/53/711152653.db2.gz SJDTXXKHMLSZBI-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO CNC(NCC(C)(C)C[C@@H](C)O)=[NH+]C ZINC000393573336 711164281 /nfs/dbraw/zinc/16/42/81/711164281.db2.gz MOJJZFBCDWUUEJ-MRVPVSSYSA-N 1 0 201.314 0.578 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)C1CC1 ZINC000393688649 711169795 /nfs/dbraw/zinc/16/97/95/711169795.db2.gz XWAIOCBYBZCFGS-SECBINFHSA-N 1 0 217.334 0.975 20 30 BCEDRO C=CC[N@H+]1C[C@@H](NC(=O)c2cn[nH]n2)CC[C@H]1C ZINC001071635002 711197353 /nfs/dbraw/zinc/19/73/53/711197353.db2.gz MBDDQLAMDRNWLT-ZJUUUORDSA-N 1 0 249.318 0.573 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071789528 711202157 /nfs/dbraw/zinc/20/21/57/711202157.db2.gz VFZKXNQZHKTOHQ-UWVGGRQHSA-N 1 0 239.319 0.017 20 30 BCEDRO C=C(C)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071788709 711202715 /nfs/dbraw/zinc/20/27/15/711202715.db2.gz JGZDMLQLGFAUQA-VHSXEESVSA-N 1 0 239.319 0.017 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCS(=O)(=O)N(C)C ZINC000395268976 711205877 /nfs/dbraw/zinc/20/58/77/711205877.db2.gz PPJMIVZPWKUITD-SNVBAGLBSA-N 1 0 232.349 0.269 20 30 BCEDRO CCNC(NCCC[C@H](C)O)=[NH+]CC ZINC000395832793 711216975 /nfs/dbraw/zinc/21/69/75/711216975.db2.gz YSJBCYQPJKIXCC-VIFPVBQESA-N 1 0 201.314 0.722 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)c3cc[nH]c3)C2)C1 ZINC001072765798 711399162 /nfs/dbraw/zinc/39/91/62/711399162.db2.gz UEMFLHCZXMEOIE-UHFFFAOYSA-N 1 0 243.310 0.796 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@H](C)C[C@@H]1CC ZINC000399496063 711430067 /nfs/dbraw/zinc/43/00/67/711430067.db2.gz JJHMNBNMHOAGKL-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010672772 710594142 /nfs/dbraw/zinc/59/41/42/710594142.db2.gz WMJNLFJBXVOLBL-NSHDSACASA-N 1 0 244.298 0.876 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001014832819 710612535 /nfs/dbraw/zinc/61/25/35/710612535.db2.gz QCEXHOJTBIXGPZ-SNVBAGLBSA-N 1 0 248.286 0.172 20 30 BCEDRO C[C@H](C#N)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000381387432 710631039 /nfs/dbraw/zinc/63/10/39/710631039.db2.gz MNGZCLJSGGSANO-OUAUKWLOSA-N 1 0 221.304 0.556 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC1(Cl)Cl ZINC000381481148 710643301 /nfs/dbraw/zinc/64/33/01/710643301.db2.gz DJDMOEIFKJSCBE-FSDSQADBSA-N 1 0 248.113 0.408 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC001044660415 710829507 /nfs/dbraw/zinc/82/95/07/710829507.db2.gz VZSTVYZHZABLFB-VHSXEESVSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)[C@@H](C)C1 ZINC001044587324 710829842 /nfs/dbraw/zinc/82/98/42/710829842.db2.gz FLIKXOXAOBAXNA-QWRGUYRKSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@H](C)C1 ZINC001044655880 710829966 /nfs/dbraw/zinc/82/99/66/710829966.db2.gz FHNZZORXAWQOPR-ZJUUUORDSA-N 1 0 247.302 0.021 20 30 BCEDRO C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2ccon2)C1 ZINC001046170549 710852212 /nfs/dbraw/zinc/85/22/12/710852212.db2.gz CEGYJMZQRCJGPO-CYBMUJFWSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2)C[C@H]1C ZINC001054379100 710932744 /nfs/dbraw/zinc/93/27/44/710932744.db2.gz DOTKLCZCSCVGKJ-ZYHUDNBSSA-N 1 0 232.283 0.963 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccoc2)C[C@@H]1C ZINC001054379097 710933093 /nfs/dbraw/zinc/93/30/93/710933093.db2.gz DOTKLCZCSCVGKJ-CMPLNLGQSA-N 1 0 232.283 0.963 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc[nH]c2)C[C@@H]1C ZINC001054669327 710941336 /nfs/dbraw/zinc/94/13/36/710941336.db2.gz CCRCYNGKXOGBMV-JQWIXIFHSA-N 1 0 231.299 0.698 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc[nH]c2)C[C@H]1C ZINC001054669328 710941639 /nfs/dbraw/zinc/94/16/39/710941639.db2.gz CCRCYNGKXOGBMV-PWSUYJOCSA-N 1 0 231.299 0.698 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccsn2)C[C@@H]1C ZINC001054787566 710941796 /nfs/dbraw/zinc/94/17/96/710941796.db2.gz VOLQPPKBTPQWSQ-GXSJLCMTSA-N 1 0 249.339 0.826 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1C ZINC001054997601 710943694 /nfs/dbraw/zinc/94/36/94/710943694.db2.gz QOUNZVRNXAMFBM-JQWIXIFHSA-N 1 0 249.314 0.840 20 30 BCEDRO C=CC[N@H+]1CC=C(CNC(=O)c2cnon2)CC1 ZINC001001283073 710949969 /nfs/dbraw/zinc/94/99/69/710949969.db2.gz XTKIMUBBNSPUGJ-UHFFFAOYSA-N 1 0 248.286 0.618 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cc(C#N)cnn1 ZINC000396891010 711372104 /nfs/dbraw/zinc/37/21/04/711372104.db2.gz AVQPFMSFMKDSAL-UHFFFAOYSA-N 1 0 229.287 0.137 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)c3ccn[nH]3)C2)C1 ZINC001072498340 711378416 /nfs/dbraw/zinc/37/84/16/711378416.db2.gz QABSSAPOHHNXMI-UHFFFAOYSA-N 1 0 244.298 0.191 20 30 BCEDRO CC[N@@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001072721316 711395788 /nfs/dbraw/zinc/39/57/88/711395788.db2.gz MRQGTXZADNNOAV-UHFFFAOYSA-N 1 0 232.327 0.954 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)OC)[C@H]1C ZINC001074551005 711442651 /nfs/dbraw/zinc/44/26/51/711442651.db2.gz PRBGFFFYXSBNES-AXFHLTTASA-N 1 0 224.304 0.234 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ocnc2C)C1 ZINC001010464976 711454543 /nfs/dbraw/zinc/45/45/43/711454543.db2.gz UCILENUUIIOMMI-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C#CCCS(=O)(=O)N1CCN(C)C(C)(C)C1 ZINC000711065609 711455881 /nfs/dbraw/zinc/45/58/81/711455881.db2.gz SRXQTGXOEFGNTL-UHFFFAOYSA-N 1 0 244.360 0.366 20 30 BCEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)c2cocn2)C1 ZINC000969402090 711457515 /nfs/dbraw/zinc/45/75/15/711457515.db2.gz MLWRYWXPOIDDQR-SNVBAGLBSA-N 1 0 247.298 0.748 20 30 BCEDRO CC(=[NH+]NC[C@@H](C)O)c1ccc(N)nc1 ZINC000393456807 711477468 /nfs/dbraw/zinc/47/74/68/711477468.db2.gz DZJUJTLNTKNARB-SSDOTTSWSA-N 1 0 208.265 0.189 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001021916016 711509392 /nfs/dbraw/zinc/50/93/92/711509392.db2.gz IHRVDCIBPKYGCS-SDDRHHMPSA-N 1 0 236.315 0.283 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C)ncn2)C1 ZINC001021974820 711511771 /nfs/dbraw/zinc/51/17/71/711511771.db2.gz IFQNKBOBCADZCR-PHIMTYICSA-N 1 0 246.314 0.821 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H]2CCN(C(C)=O)C[C@H]21 ZINC001041872929 711514746 /nfs/dbraw/zinc/51/47/46/711514746.db2.gz RIWPMHJGPDVKHL-QWHCGFSZSA-N 1 0 220.316 0.952 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001038233180 711565905 /nfs/dbraw/zinc/56/59/05/711565905.db2.gz CYBHLDVJZFLUSW-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934261251 711579147 /nfs/dbraw/zinc/57/91/47/711579147.db2.gz DJGJDURTNBTLHD-OLZOCXBDSA-N 1 0 222.332 0.541 20 30 BCEDRO C=CC[C@H]1CC[N@@H+]1CCC(=O)N1CCOCC1 ZINC000934469582 711587870 /nfs/dbraw/zinc/58/78/70/711587870.db2.gz FOCAVPVQBYVKDO-LBPRGKRZSA-N 1 0 238.331 0.886 20 30 BCEDRO CCNC(NCCC[C@H](C)CO)=[NH+]CC ZINC000395715769 711697045 /nfs/dbraw/zinc/69/70/45/711697045.db2.gz KWEKPZADUAXNKU-JTQLQIEISA-N 1 0 215.341 0.970 20 30 BCEDRO C#CCCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000395716086 711697057 /nfs/dbraw/zinc/69/70/57/711697057.db2.gz GNFJKGSRCBLKOM-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C[C@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC#N ZINC000334954365 711719737 /nfs/dbraw/zinc/71/97/37/711719737.db2.gz WOJXVVRRELSYQV-UWVGGRQHSA-N 1 0 224.308 0.811 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C(F)F)C1 ZINC001027262357 711721888 /nfs/dbraw/zinc/72/18/88/711721888.db2.gz XRWUOFSSNJVOOH-VIFPVBQESA-N 1 0 230.258 0.808 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001027824820 711736513 /nfs/dbraw/zinc/73/65/13/711736513.db2.gz PHDOJYQBTNCKOP-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OC)[C@@H]2C1 ZINC001075590838 711747356 /nfs/dbraw/zinc/74/73/56/711747356.db2.gz IIVUVOKBJNEJKA-GRYCIOLGSA-N 1 0 238.331 0.740 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001075616490 711760391 /nfs/dbraw/zinc/76/03/91/711760391.db2.gz UUBVWGYMNBLHFF-FRRDWIJNSA-N 1 0 245.326 0.702 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](CC)C1 ZINC000048058851 711767064 /nfs/dbraw/zinc/76/70/64/711767064.db2.gz NTRUACHQJLCBDX-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO N#CCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000335035085 711770049 /nfs/dbraw/zinc/77/00/49/711770049.db2.gz VGWJLJIQDBNTJB-RKDXNWHRSA-N 1 0 210.281 0.469 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1C=C[C@H](CO)C1 ZINC000748362067 711771783 /nfs/dbraw/zinc/77/17/83/711771783.db2.gz ACLIMQNHKQKDNL-XQQFMLRXSA-N 1 0 248.326 0.137 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001038446395 711779211 /nfs/dbraw/zinc/77/92/11/711779211.db2.gz ACIZMPOCJWEILT-VIFPVBQESA-N 1 0 235.291 0.185 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C1CCN(OC)CC1 ZINC000320362136 711782617 /nfs/dbraw/zinc/78/26/17/711782617.db2.gz DZSBJJVMGYTKGH-LLVKDONJSA-N 1 0 214.309 0.539 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cncn2C)[C@H]1C ZINC000986494897 711788490 /nfs/dbraw/zinc/78/84/90/711788490.db2.gz INRQHDCXUBRHEP-QWRGUYRKSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccnc2)C1 ZINC000987804350 711792370 /nfs/dbraw/zinc/79/23/70/711792370.db2.gz UYVHAHZPDDWANS-AAEUAGOBSA-N 1 0 243.310 0.907 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ncn(C)n2)C1 ZINC000988786566 711797191 /nfs/dbraw/zinc/79/71/91/711797191.db2.gz RKJLHENGYUDRMV-UWVGGRQHSA-N 1 0 249.318 0.194 20 30 BCEDRO CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C#CC2CC2)C1 ZINC000988810314 711797248 /nfs/dbraw/zinc/79/72/48/711797248.db2.gz GSWQIVQVRFQXAN-CMPLNLGQSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2=CCCC2)C1 ZINC001076875434 711809646 /nfs/dbraw/zinc/80/96/46/711809646.db2.gz XEPNLHZKYUSKRC-CHWSQXEVSA-N 1 0 248.326 0.281 20 30 BCEDRO C#CCCC[N@H+]1C[C@H](C(N)=O)CC[C@H]1C ZINC000161119113 711810687 /nfs/dbraw/zinc/81/06/87/711810687.db2.gz KIBSYSFZHXUUNV-GHMZBOCLSA-N 1 0 208.305 0.986 20 30 BCEDRO C#CCCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000161187138 711810975 /nfs/dbraw/zinc/81/09/75/711810975.db2.gz DHJZYUNJPSDDAJ-VIFPVBQESA-N 1 0 203.307 0.423 20 30 BCEDRO C#CCC[NH2+][C@@](C)(COC)CC(=O)OC ZINC000379918003 711814211 /nfs/dbraw/zinc/81/42/11/711814211.db2.gz DYPAOMKFWKPIEP-LLVKDONJSA-N 1 0 213.277 0.568 20 30 BCEDRO C#CCSCC(=O)N1CC(C[NH+](C)C)C1 ZINC000908532675 711816961 /nfs/dbraw/zinc/81/69/61/711816961.db2.gz DBPLNJQVPXFTBT-UHFFFAOYSA-N 1 0 226.345 0.373 20 30 BCEDRO CCC[C@H](OCC)C(=O)NCC#CC[NH+](C)C ZINC000913524380 711823311 /nfs/dbraw/zinc/82/33/11/711823311.db2.gz KWMLCYYCSGSEHD-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO COC1CC(C(=O)NCC#CC[NH+](C)C)C1 ZINC000913524368 711823339 /nfs/dbraw/zinc/82/33/39/711823339.db2.gz KGWFHXXBAQEPIS-UHFFFAOYSA-N 1 0 224.304 0.093 20 30 BCEDRO CCC[C@@H](OCC)C(=O)NCC#CC[NH+](C)C ZINC000913524379 711823484 /nfs/dbraw/zinc/82/34/84/711823484.db2.gz KWMLCYYCSGSEHD-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO Cc1ccc(C(=O)NCC#CC[NH+](C)C)o1 ZINC000913515347 711823540 /nfs/dbraw/zinc/82/35/40/711823540.db2.gz TXIBHACQKOMGNS-UHFFFAOYSA-N 1 0 220.272 0.883 20 30 BCEDRO Cc1conc1C(=O)NCC#CC[NH+](C)C ZINC000913525334 711823554 /nfs/dbraw/zinc/82/35/54/711823554.db2.gz SEKKBQWWMGIJIT-UHFFFAOYSA-N 1 0 221.260 0.278 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1(C)CCOCC1 ZINC000913518543 711823845 /nfs/dbraw/zinc/82/38/45/711823845.db2.gz UERYXQMJJLLRRA-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1C[C@@]12CCOC2 ZINC000913521044 711823904 /nfs/dbraw/zinc/82/39/04/711823904.db2.gz JEBVDNMDLWLEEN-WCQYABFASA-N 1 0 236.315 0.094 20 30 BCEDRO CCCc1nc(C(=O)NCC#CC[NH+](C)C)co1 ZINC000913520986 711823942 /nfs/dbraw/zinc/82/39/42/711823942.db2.gz GZCGDMXVQJQDCC-UHFFFAOYSA-N 1 0 249.314 0.922 20 30 BCEDRO CC#CCCCC(=O)NCC#CC[NH+](C)C ZINC000913520949 711823949 /nfs/dbraw/zinc/82/39/49/711823949.db2.gz FLWIDBWFRPAGFG-UHFFFAOYSA-N 1 0 220.316 0.861 20 30 BCEDRO CC(C)(CO)[NH2+]CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000916572806 711873204 /nfs/dbraw/zinc/87/32/04/711873204.db2.gz OTUOTVBEAUFHNA-LBPRGKRZSA-N 1 0 239.319 0.155 20 30 BCEDRO CC(C)(CO)[NH2+]CC(=O)Nc1ccc(C#N)cc1 ZINC000916572559 711873272 /nfs/dbraw/zinc/87/32/72/711873272.db2.gz KVZCVQRUBKSFAI-UHFFFAOYSA-N 1 0 247.298 0.857 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ccsn2)CC1 ZINC000996702454 711912679 /nfs/dbraw/zinc/91/26/79/711912679.db2.gz MFJAKVATNQKSHZ-UHFFFAOYSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C1(C)CC1 ZINC001032415501 711917875 /nfs/dbraw/zinc/91/78/75/711917875.db2.gz AYJRJXHLMRPXHH-QWRGUYRKSA-N 1 0 218.300 0.705 20 30 BCEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H](CC)[NH+](C)C ZINC001032634039 711930097 /nfs/dbraw/zinc/93/00/97/711930097.db2.gz DDILBYSSVKOWFV-AVGNSLFASA-N 1 0 249.358 0.245 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C(F)F)C12CCC2 ZINC001078521175 711943027 /nfs/dbraw/zinc/94/30/27/711943027.db2.gz LXLPLHYUDPVRQE-IUCAKERBSA-N 1 0 242.269 0.902 20 30 BCEDRO C#CCN1CC(N(C)C(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001043871053 711955776 /nfs/dbraw/zinc/95/57/76/711955776.db2.gz NVZRCBZZQLQWBY-GFCCVEGCSA-N 1 0 249.358 0.104 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001032924864 711967746 /nfs/dbraw/zinc/96/77/46/711967746.db2.gz FPOGRWSAJJVTHJ-GFCCVEGCSA-N 1 0 246.314 0.579 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccn[nH]2)C1 ZINC001032924153 711967821 /nfs/dbraw/zinc/96/78/21/711967821.db2.gz JNKHKSBARDRRGN-SNVBAGLBSA-N 1 0 234.303 0.742 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001032944497 711969175 /nfs/dbraw/zinc/96/91/75/711969175.db2.gz YPUMARQZLOWBGO-NEPJUHHUSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001032979453 711969786 /nfs/dbraw/zinc/96/97/86/711969786.db2.gz CZILVNBWOPFTIQ-GFCCVEGCSA-N 1 0 246.314 0.118 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC)[C@@H](C)C1 ZINC001044391380 711971684 /nfs/dbraw/zinc/97/16/84/711971684.db2.gz TXLJEVRVXCRVJE-WDEREUQCSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055647 711972688 /nfs/dbraw/zinc/97/26/88/711972688.db2.gz ZPJCFAPMGWLAAH-JTQLQIEISA-N 1 0 249.318 0.147 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001033063443 711973905 /nfs/dbraw/zinc/97/39/05/711973905.db2.gz BDWYIYYTRHTRKC-ZJUUUORDSA-N 1 0 242.269 0.808 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001033337187 711984514 /nfs/dbraw/zinc/98/45/14/711984514.db2.gz HFEMUSDTWADPQP-WUHRBBMRSA-N 1 0 248.326 0.045 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000700445875 711995107 /nfs/dbraw/zinc/99/51/07/711995107.db2.gz OLVHHKLWKXSLJE-SRVKXCTJSA-N 1 0 238.331 0.075 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ncccn2)C1 ZINC001033519415 711999203 /nfs/dbraw/zinc/99/92/03/711999203.db2.gz MASVVZLNLKKPIC-LLVKDONJSA-N 1 0 246.314 0.809 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnon2)C1 ZINC001033527290 712000652 /nfs/dbraw/zinc/00/06/52/712000652.db2.gz OJUYSPJSQREORE-SECBINFHSA-N 1 0 236.275 0.402 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001033672955 712010889 /nfs/dbraw/zinc/01/08/89/712010889.db2.gz UOBODYSLOVEMEF-CYBMUJFWSA-N 1 0 245.326 0.723 20 30 BCEDRO CC[C@H](C#N)C(=O)NC1CC([NH+](C)C)C1 ZINC000701487940 712024145 /nfs/dbraw/zinc/02/41/45/712024145.db2.gz JJOVXPCXZFJNML-XNWIYYODSA-N 1 0 209.293 0.745 20 30 BCEDRO C=C(Cl)CNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000701613497 712025812 /nfs/dbraw/zinc/02/58/12/712025812.db2.gz KKBOKEKNYUNJGQ-SCZZXKLOSA-N 1 0 232.711 0.622 20 30 BCEDRO C#CCCC[NH+]1CCC(NC(N)=O)CC1 ZINC000702202479 712040293 /nfs/dbraw/zinc/04/02/93/712040293.db2.gz YWLBDBDFDUHROL-UHFFFAOYSA-N 1 0 209.293 0.533 20 30 BCEDRO C#CC[N@H+]1CCCC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001034121155 712041103 /nfs/dbraw/zinc/04/11/03/712041103.db2.gz ITFFNJBVCJASNN-LBPRGKRZSA-N 1 0 246.314 0.627 20 30 BCEDRO N#CC1(C(=O)N2CC[C@H]([NH+]3CCC3)C2)CCC1 ZINC000702295103 712043356 /nfs/dbraw/zinc/04/33/56/712043356.db2.gz FOSMENOGTKWLQC-NSHDSACASA-N 1 0 233.315 0.987 20 30 BCEDRO C#CC[N@H+]1CCCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001034196741 712049952 /nfs/dbraw/zinc/04/99/52/712049952.db2.gz DZBITULMZRIYNC-NSHDSACASA-N 1 0 246.314 0.627 20 30 BCEDRO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001034282839 712056463 /nfs/dbraw/zinc/05/64/63/712056463.db2.gz NIVUCOCXHQKXCV-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC(F)(F)CC1 ZINC000702837313 712061405 /nfs/dbraw/zinc/06/14/05/712061405.db2.gz WLBXHYBXDGRVNM-UHFFFAOYSA-N 1 0 230.258 0.857 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000702957529 712062164 /nfs/dbraw/zinc/06/21/64/712062164.db2.gz GDJFCLXCKLWTGL-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cocn2)CC1 ZINC001034605438 712070152 /nfs/dbraw/zinc/07/01/52/712070152.db2.gz GOLAINVOJZKAAF-XYPYZODXSA-N 1 0 247.298 0.938 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(c1cncc(C#N)n1)C2 ZINC000703583886 712079788 /nfs/dbraw/zinc/07/97/88/712079788.db2.gz LUDZELBBDOGGIV-JOYOIKCWSA-N 1 0 229.287 0.394 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)[C@H]([NH3+])CCOC)C1 ZINC000703629421 712081121 /nfs/dbraw/zinc/08/11/21/712081121.db2.gz FHZUQPOXHFBZLJ-WDEREUQCSA-N 1 0 226.320 0.775 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)COc1ccc(C#N)cc1 ZINC000703983261 712098478 /nfs/dbraw/zinc/09/84/78/712098478.db2.gz WYPNTWDEDLLGHL-JTQLQIEISA-N 1 0 247.298 0.743 20 30 BCEDRO CC[NH2+]C[C@H]1CCCN1C(=O)[C@@H](C)C#N ZINC001034887133 712098837 /nfs/dbraw/zinc/09/88/37/712098837.db2.gz TUAAHZJQSZIYQT-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC12CC2 ZINC000705220619 712124890 /nfs/dbraw/zinc/12/48/90/712124890.db2.gz AQFNMSBETYAATL-NSHDSACASA-N 1 0 220.316 0.858 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC12CC2 ZINC000705220616 712124996 /nfs/dbraw/zinc/12/49/96/712124996.db2.gz AQFNMSBETYAATL-LLVKDONJSA-N 1 0 220.316 0.858 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000705371235 712130861 /nfs/dbraw/zinc/13/08/61/712130861.db2.gz LLZGUCSJDITNQT-ZJUUUORDSA-N 1 0 207.277 0.453 20 30 BCEDRO C=CC1CCN(C(=O)[C@H]([NH3+])CCOC)CC1 ZINC000706668602 712151180 /nfs/dbraw/zinc/15/11/80/712151180.db2.gz YNWYTEFYDXLTPG-LLVKDONJSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)C[NH2+]C(C)C ZINC000707287367 712168414 /nfs/dbraw/zinc/16/84/14/712168414.db2.gz QDTZMNYWVBRMHN-UHFFFAOYSA-N 1 0 242.319 0.562 20 30 BCEDRO C#CC1(O)CC[NH+](CCCCC(=O)OC)CC1 ZINC000707537751 712171933 /nfs/dbraw/zinc/17/19/33/712171933.db2.gz YZOJZNDEMGFYPI-UHFFFAOYSA-N 1 0 239.315 0.790 20 30 BCEDRO C#CC1(O)CC[NH+](CCN2CCCC2=O)CC1 ZINC000707990670 712174768 /nfs/dbraw/zinc/17/47/68/712174768.db2.gz YRNJYMQMCZAFLT-UHFFFAOYSA-N 1 0 236.315 0.069 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2cncn2CC)CC1 ZINC000708134967 712182375 /nfs/dbraw/zinc/18/23/75/712182375.db2.gz WBPKYZJNFXDCCL-UHFFFAOYSA-N 1 0 233.315 0.863 20 30 BCEDRO C#CC1(O)CC[NH+](CCCCOC)CC1 ZINC000708152249 712183429 /nfs/dbraw/zinc/18/34/29/712183429.db2.gz NJDSFSRAKMYYPZ-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO CC(C)C[C@@H](O)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000709439055 712222057 /nfs/dbraw/zinc/22/20/57/712222057.db2.gz MDNGYRUKYYJRAO-GHMZBOCLSA-N 1 0 241.335 0.531 20 30 BCEDRO C#CCCCS(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000710325380 712251915 /nfs/dbraw/zinc/25/19/15/712251915.db2.gz AJCNSVBCLLLIHZ-NSHDSACASA-N 1 0 246.376 0.659 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710847844 712258725 /nfs/dbraw/zinc/25/87/25/712258725.db2.gz AJUQLGWOKSSHRS-CMPLNLGQSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000710883948 712261475 /nfs/dbraw/zinc/26/14/75/712261475.db2.gz YZXAWECPSISMKQ-KYZUINATSA-N 1 0 218.322 0.219 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000710883233 712261582 /nfs/dbraw/zinc/26/15/82/712261582.db2.gz RBJONPQTHXWAEM-WDEREUQCSA-N 1 0 244.360 0.767 20 30 BCEDRO C=CCCC(=O)N1CCC(O)(C[NH+](C)C)CC1 ZINC000710608848 712264131 /nfs/dbraw/zinc/26/41/31/712264131.db2.gz YIRMCZFOLLVBJF-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO C#CCCS(=O)(=O)NCC[NH+]1CCCC1 ZINC000710958466 712268375 /nfs/dbraw/zinc/26/83/75/712268375.db2.gz NNFQHLINVFGLBV-UHFFFAOYSA-N 1 0 230.333 0.025 20 30 BCEDRO C#CCCS(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000710996524 712273687 /nfs/dbraw/zinc/27/36/87/712273687.db2.gz JYJKNISPQVNQBV-NSHDSACASA-N 1 0 244.360 0.223 20 30 BCEDRO C#CCCS(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000711065086 712278156 /nfs/dbraw/zinc/27/81/56/712278156.db2.gz KNEJPWLFIFEMNO-NSHDSACASA-N 1 0 244.360 0.366 20 30 BCEDRO C#CCCS(=O)(=O)N[C@H](C)C[NH+](CC)CC ZINC000711175161 712288312 /nfs/dbraw/zinc/28/83/12/712288312.db2.gz PWGQVVSUVKFWAM-LLVKDONJSA-N 1 0 246.376 0.659 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2=CCOCC2)C1 ZINC001079612505 712349551 /nfs/dbraw/zinc/34/95/51/712349551.db2.gz RTXJMOKUJKJBSX-DGCLKSJQSA-N 1 0 248.326 0.403 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnnn2C)C1 ZINC001079644235 712349680 /nfs/dbraw/zinc/34/96/80/712349680.db2.gz TWQKXMUCQWVNML-NXEZZACHSA-N 1 0 249.318 0.051 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnon2)C1 ZINC001080647346 712353650 /nfs/dbraw/zinc/35/36/50/712353650.db2.gz PRYXFIBQRWRCST-PSASIEDQSA-N 1 0 236.275 0.306 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001080642764 712353974 /nfs/dbraw/zinc/35/39/74/712353974.db2.gz WHXDPRDITPIQFV-RKDXNWHRSA-N 1 0 235.291 0.041 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccncn2)C1 ZINC001080640034 712354095 /nfs/dbraw/zinc/35/40/95/712354095.db2.gz GSLOTHNVMNRTRI-ZYHUDNBSSA-N 1 0 246.314 0.713 20 30 BCEDRO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001080641835 712354146 /nfs/dbraw/zinc/35/41/46/712354146.db2.gz YBMZTTCZCKCHJR-NXEZZACHSA-N 1 0 249.318 0.431 20 30 BCEDRO CCCCCCCNC(=O)CNC(=O)C[NH3+] ZINC000703758381 712371958 /nfs/dbraw/zinc/37/19/58/712371958.db2.gz ZXUGAYNGFVUERU-UHFFFAOYSA-N 1 0 229.324 0.148 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C=C1CCC1 ZINC000379455394 712385064 /nfs/dbraw/zinc/38/50/64/712385064.db2.gz MYRRXFHHWKZGLR-NXEZZACHSA-N 1 0 205.261 0.324 20 30 BCEDRO C=CC[NH2+]C1(CO)COC(C)(C)OC1 ZINC000379574120 712388562 /nfs/dbraw/zinc/38/85/62/712388562.db2.gz JRZBFNDCFAQYIY-UHFFFAOYSA-N 1 0 201.266 0.276 20 30 BCEDRO Cc1ccc(C=NNC2=[NH+]C[C@H](C)N2)cn1 ZINC000764907310 712412409 /nfs/dbraw/zinc/41/24/09/712412409.db2.gz IIGZJNUDBKJYJC-VIFPVBQESA-N 1 0 217.276 0.661 20 30 BCEDRO COCCC(N=NC(N)=[NH2+])C1CCOCC1 ZINC000764905467 712412485 /nfs/dbraw/zinc/41/24/85/712412485.db2.gz PKRLZOCRYLLOJC-UHFFFAOYSA-N 1 0 228.296 0.289 20 30 BCEDRO C#CCNC(=O)CN1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000796427163 712424873 /nfs/dbraw/zinc/42/48/73/712424873.db2.gz BDWORZNVZWONTE-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNc1ccncc1C#N ZINC000712590720 712435376 /nfs/dbraw/zinc/43/53/76/712435376.db2.gz FOPRWBCTKWVLGS-JTQLQIEISA-N 1 0 202.261 0.491 20 30 BCEDRO C#CCCC[NH+]1CCC(C(=O)NCCO)CC1 ZINC000712649484 712439550 /nfs/dbraw/zinc/43/95/50/712439550.db2.gz CWTKMXWMSGBTKL-UHFFFAOYSA-N 1 0 238.331 0.220 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cn(CCC)nn1 ZINC000714466951 712490581 /nfs/dbraw/zinc/49/05/81/712490581.db2.gz FFPWHHYPEFZFHU-SNVBAGLBSA-N 1 0 224.308 0.715 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC000715086357 712507452 /nfs/dbraw/zinc/50/74/52/712507452.db2.gz UVHWEBVBVWLLSW-PHDIDXHHSA-N 1 0 224.638 0.695 20 30 BCEDRO CC(C)(C#N)C(=O)NC12CC[NH+](CC1)C2 ZINC000715506113 712524011 /nfs/dbraw/zinc/52/40/11/712524011.db2.gz AFBOSVMUTSCIGW-UHFFFAOYSA-N 1 0 207.277 0.501 20 30 BCEDRO CC#CCCNC(=O)C12CC[NH+](CC1)C2 ZINC000715770763 712532517 /nfs/dbraw/zinc/53/25/17/712532517.db2.gz UOMSNYMBTWVCJR-UHFFFAOYSA-N 1 0 206.289 0.612 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000715840979 712532949 /nfs/dbraw/zinc/53/29/49/712532949.db2.gz FDNBHLSDZUASGN-LBPRGKRZSA-N 1 0 233.315 0.844 20 30 BCEDRO CC[C@H](CC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000715822599 712534094 /nfs/dbraw/zinc/53/40/94/712534094.db2.gz GWBPPJLMNNLSGU-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000715827422 712534150 /nfs/dbraw/zinc/53/41/50/712534150.db2.gz VXEAQWUGVNPABG-SNVBAGLBSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC000715821262 712534185 /nfs/dbraw/zinc/53/41/85/712534185.db2.gz AFHJATYKBWSPGJ-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)C12CC[NH+](CC1)C2 ZINC000715821354 712534215 /nfs/dbraw/zinc/53/42/15/712534215.db2.gz BGUCJWLGIDCPBO-JTQLQIEISA-N 1 0 221.304 0.700 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)C(F)(F)F ZINC000716340608 712555557 /nfs/dbraw/zinc/55/55/57/712555557.db2.gz NXOWTOVLEISYFM-HTQZYQBOSA-N 1 0 225.210 0.538 20 30 BCEDRO C#CC[C@@H](COC)NCc1cc(C)n(C)n1 ZINC000716386449 712557719 /nfs/dbraw/zinc/55/77/19/712557719.db2.gz AWGPRRYONXTABX-NSHDSACASA-N 1 0 221.304 0.856 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716412496 712559342 /nfs/dbraw/zinc/55/93/42/712559342.db2.gz JHQQBEKJQWIMBN-UHFFFAOYSA-N 1 0 240.347 0.772 20 30 BCEDRO C#Cc1cncc(C(=O)NC[C@H]2CCC[N@H+]2C)c1 ZINC000806605402 712583021 /nfs/dbraw/zinc/58/30/21/712583021.db2.gz XIZYMJGLOLIVCM-CYBMUJFWSA-N 1 0 243.310 0.887 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+](CCO)Cc1ccccc1 ZINC000809573968 712584838 /nfs/dbraw/zinc/58/48/38/712584838.db2.gz DNTQQGXQFBGYDF-CYBMUJFWSA-N 1 0 234.299 0.755 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@](C)(O)C1 ZINC000379811893 712606268 /nfs/dbraw/zinc/60/62/68/712606268.db2.gz OSUGKJXRXGLVRA-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO CC(C)CCOCCNC1=[NH+]C[C@H](C)N1 ZINC000379813071 712607365 /nfs/dbraw/zinc/60/73/65/712607365.db2.gz PEEXBOUNQVOHIX-JTQLQIEISA-N 1 0 213.325 0.986 20 30 BCEDRO C[NH+](C)C1(C(=O)NCc2ccc(C#N)cn2)CC1 ZINC000854475856 712614242 /nfs/dbraw/zinc/61/42/42/712614242.db2.gz XPCHWVOOSRNNGW-UHFFFAOYSA-N 1 0 244.298 0.664 20 30 BCEDRO COC[C@@H]([NH2+]CCO[C@H](C)C#N)C1CC1 ZINC000379914739 712625206 /nfs/dbraw/zinc/62/52/06/712625206.db2.gz BCZPERQNCLBIRR-MWLCHTKSSA-N 1 0 212.293 0.930 20 30 BCEDRO C=CCNC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000717149540 712637404 /nfs/dbraw/zinc/63/74/04/712637404.db2.gz WCEWCKYIULQXDF-QMMMGPOBSA-N 1 0 233.262 0.716 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000717272295 712642058 /nfs/dbraw/zinc/64/20/58/712642058.db2.gz UUOLJXUGAYDQJJ-PELKAZGASA-N 1 0 238.262 0.529 20 30 BCEDRO C#CC[N@@H+]1CCC[C@H](Nc2ccnc(C#N)c2)C1 ZINC000884611645 712647980 /nfs/dbraw/zinc/64/79/80/712647980.db2.gz QQHFHXGXKGRKNB-ZDUSSCGKSA-N 1 0 240.310 0.885 20 30 BCEDRO Cc1ccnc(NC[C@@H](O)C[NH+](C)C)c1C#N ZINC000717368309 712652545 /nfs/dbraw/zinc/65/25/45/712652545.db2.gz VGWMYSJKJCXTGL-SNVBAGLBSA-N 1 0 234.303 0.596 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCC(=O)N(C)C)C1 ZINC000886355214 712654875 /nfs/dbraw/zinc/65/48/75/712654875.db2.gz DWAFFLHNQMPVKQ-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO C=CCC1(O)CC[NH+](C[C@H]2COCCO2)CC1 ZINC000717404298 712655518 /nfs/dbraw/zinc/65/55/18/712655518.db2.gz FPQBYDDYKDLJCL-LBPRGKRZSA-N 1 0 241.331 0.805 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)c1ccccc1F ZINC000717456168 712658785 /nfs/dbraw/zinc/65/87/85/712658785.db2.gz AVIHHYJAOJGUAU-SKDRFNHKSA-N 1 0 225.263 0.996 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000717532721 712660432 /nfs/dbraw/zinc/66/04/32/712660432.db2.gz PFUFIEIKIJOQGD-LBPRGKRZSA-N 1 0 223.247 0.444 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)c1ccccc1F ZINC000717531940 712660436 /nfs/dbraw/zinc/66/04/36/712660436.db2.gz KRKVGDOKPUWSNL-GFCCVEGCSA-N 1 0 223.247 0.444 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000717532720 712660692 /nfs/dbraw/zinc/66/06/92/712660692.db2.gz PFUFIEIKIJOQGD-GFCCVEGCSA-N 1 0 223.247 0.444 20 30 BCEDRO C[NH+](C)CC#CCNc1nccnc1F ZINC000717628222 712662015 /nfs/dbraw/zinc/66/20/15/712662015.db2.gz IAPYKGBDVFPJNX-UHFFFAOYSA-N 1 0 208.240 0.593 20 30 BCEDRO C[NH+](C)CC#CCNc1ncc([N+](=O)[O-])cn1 ZINC000717606593 712662281 /nfs/dbraw/zinc/66/22/81/712662281.db2.gz PGVZPFDPFKDPFR-UHFFFAOYSA-N 1 0 235.247 0.362 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H](CO)C1CCC1 ZINC000717617878 712662878 /nfs/dbraw/zinc/66/28/78/712662878.db2.gz JYVPXWSNUBHDCG-KOLCDFICSA-N 1 0 212.293 0.666 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cccc(O)c1 ZINC000717680353 712664421 /nfs/dbraw/zinc/66/44/21/712664421.db2.gz WVBFWHHOJZUYBL-UHFFFAOYSA-N 1 0 232.283 0.687 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000717698094 712665307 /nfs/dbraw/zinc/66/53/07/712665307.db2.gz BMPZGFDGBJTBKX-UTUOFQBUSA-N 1 0 211.305 0.918 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cn2ccccc2n1 ZINC000717733978 712667930 /nfs/dbraw/zinc/66/79/30/712667930.db2.gz SNFILUFNMXTIPH-LLVKDONJSA-N 1 0 229.283 0.808 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@@H]1COCC1(C)C ZINC000717731378 712668185 /nfs/dbraw/zinc/66/81/85/712668185.db2.gz BJKVQUJXLHIQQN-WDEREUQCSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000717777811 712675512 /nfs/dbraw/zinc/67/55/12/712675512.db2.gz VIRFJLJYNMTRKG-VIFPVBQESA-N 1 0 204.229 0.625 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(C(=O)NC)cc1 ZINC000717785999 712676947 /nfs/dbraw/zinc/67/69/47/712676947.db2.gz HZAWHKKCPCCPKB-CYBMUJFWSA-N 1 0 246.310 0.520 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cccn1C ZINC000717786068 712676963 /nfs/dbraw/zinc/67/69/63/712676963.db2.gz IZUMDGRZSBSOLA-NSHDSACASA-N 1 0 206.289 0.889 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c(C)noc1C ZINC000717788018 712677663 /nfs/dbraw/zinc/67/76/63/712677663.db2.gz QSNLNFKQBHPJPC-JTQLQIEISA-N 1 0 208.261 0.765 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000717794208 712677975 /nfs/dbraw/zinc/67/79/75/712677975.db2.gz NFMQVGMFHZGSNF-QJPTWQEYSA-N 1 0 211.305 0.918 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000717795158 712677991 /nfs/dbraw/zinc/67/79/91/712677991.db2.gz RLWPUPMROUMLLG-USZNOCQGSA-N 1 0 211.305 0.916 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000717795161 712678253 /nfs/dbraw/zinc/67/82/53/712678253.db2.gz RLWPUPMROUMLLG-WRWGMCAJSA-N 1 0 211.305 0.916 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1nc(C)ccc1O ZINC000717813107 712680746 /nfs/dbraw/zinc/68/07/46/712680746.db2.gz GWLILVHFWPBVHK-SNVBAGLBSA-N 1 0 220.272 0.569 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccncc1C ZINC000717829370 712682063 /nfs/dbraw/zinc/68/20/63/712682063.db2.gz LJASDNZVSUHDSQ-LBPRGKRZSA-N 1 0 204.273 0.864 20 30 BCEDRO C=C(Cl)Cn1cc(CC[C@H](O)C[NH3+])nn1 ZINC000717936141 712734373 /nfs/dbraw/zinc/73/43/73/712734373.db2.gz FSPOAGUVDUSIOK-VIFPVBQESA-N 1 0 230.699 0.283 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000718126942 712746256 /nfs/dbraw/zinc/74/62/56/712746256.db2.gz RTRAWSJZPXKTJB-RYUDHWBXSA-N 1 0 239.702 0.957 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000718137601 712747706 /nfs/dbraw/zinc/74/77/06/712747706.db2.gz RQRMUFGBNYELTJ-CABZTGNLSA-N 1 0 241.237 0.582 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)cn2)CC[N@@H+]1C ZINC000719361134 712805073 /nfs/dbraw/zinc/80/50/73/712805073.db2.gz CPPNYRLTHGQBPO-ONGXEEELSA-N 1 0 244.298 0.776 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)cn2)CC[N@@H+]1C ZINC000719361133 712805279 /nfs/dbraw/zinc/80/52/79/712805279.db2.gz CPPNYRLTHGQBPO-MWLCHTKSSA-N 1 0 244.298 0.776 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)c2ccc(C#N)o2)CC[N@@H+]1C ZINC000719365288 712806259 /nfs/dbraw/zinc/80/62/59/712806259.db2.gz YQFYNXNWGXPCKQ-WPRPVWTQSA-N 1 0 233.271 0.974 20 30 BCEDRO COC(C)(C)[C@H](C)[NH2+]CC(=O)NCC#N ZINC000720238218 712829369 /nfs/dbraw/zinc/82/93/69/712829369.db2.gz GTJCKDOFYYCJEW-QMMMGPOBSA-N 1 0 213.281 0.029 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2C[C@@H](O)C2)cc1 ZINC000720911590 712880239 /nfs/dbraw/zinc/88/02/39/712880239.db2.gz WOSSVSRPYRBEFJ-YUTCNCBUSA-N 1 0 246.310 0.952 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000330363560 136208174 /nfs/dbraw/zinc/20/81/74/136208174.db2.gz KATPZHJKOGHGPJ-SECBINFHSA-N 1 0 231.321 0.043 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC000602097877 349440087 /nfs/dbraw/zinc/44/00/87/349440087.db2.gz QNIYUYIFTLAZNJ-JTQLQIEISA-N 1 0 223.320 0.993 20 30 BCEDRO C[NH+](C)CC1(C(=O)N2CCO[C@H](C#N)C2)CC1 ZINC000602097248 349440092 /nfs/dbraw/zinc/44/00/92/349440092.db2.gz OXHNVXMDXRNEHI-SNVBAGLBSA-N 1 0 237.303 0.079 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1C(=O)NC1(C#N)CC1 ZINC000602103863 349442172 /nfs/dbraw/zinc/44/21/72/349442172.db2.gz QKPGZJMAKVXSBX-VIFPVBQESA-N 1 0 207.277 0.643 20 30 BCEDRO COCCN(CCC#N)C(=O)[C@@H](C)[NH+](C)C ZINC000602091573 349446955 /nfs/dbraw/zinc/44/69/55/349446955.db2.gz KYSBKVKVYZKLCJ-SNVBAGLBSA-N 1 0 227.308 0.325 20 30 BCEDRO CNC(NCCN1C(=O)Cc2ccccc21)=[NH+]C ZINC000066245744 136210880 /nfs/dbraw/zinc/21/08/80/136210880.db2.gz LONSPHAPIBMNNP-UHFFFAOYSA-N 1 0 246.314 0.371 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N2CC[C@@](F)(C#N)C2)C1 ZINC000602145090 349452638 /nfs/dbraw/zinc/45/26/38/349452638.db2.gz XHTCZYPNKOKCAP-ZYHUDNBSSA-N 1 0 239.294 0.792 20 30 BCEDRO C[NH+](C)CC1(C(=O)NCC(C)(C)C#N)CC1 ZINC000602129259 349457497 /nfs/dbraw/zinc/45/74/97/349457497.db2.gz DZPDVHHYKSRGNS-UHFFFAOYSA-N 1 0 223.320 0.994 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](CCCO)C1 ZINC000650353300 398142584 /nfs/dbraw/zinc/14/25/84/398142584.db2.gz PYICVFZMVCFJKC-GFCCVEGCSA-N 1 0 211.305 0.731 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3cc(C#N)ncn3)[C@H]2C1 ZINC000572352032 398143673 /nfs/dbraw/zinc/14/36/73/398143673.db2.gz PCUWJLSGTOHNBK-JQWIXIFHSA-N 1 0 243.314 0.879 20 30 BCEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(O)CC1 ZINC000034674190 136212057 /nfs/dbraw/zinc/21/20/57/136212057.db2.gz AVSGXUZVYXDLQX-UHFFFAOYSA-N 1 0 239.319 0.205 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@H+](CCCC#N)C1 ZINC000408256659 136213037 /nfs/dbraw/zinc/21/30/37/136213037.db2.gz MMEQZJQNUDUDRV-SECBINFHSA-N 1 0 210.281 0.293 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418348331 192026632 /nfs/dbraw/zinc/02/66/32/192026632.db2.gz RDUQBYFGQOJMMS-VHSXEESVSA-N 1 0 211.309 0.860 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3cc(C#N)ncn3)[C@@H]2C1 ZINC000572352031 398144437 /nfs/dbraw/zinc/14/44/37/398144437.db2.gz PCUWJLSGTOHNBK-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO C#CC[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000378718389 346814883 /nfs/dbraw/zinc/81/48/83/346814883.db2.gz DHBRHENCWSXWEI-RYUDHWBXSA-N 1 0 209.289 0.529 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)CCO)C1=O ZINC000649871226 398154491 /nfs/dbraw/zinc/15/44/91/398154491.db2.gz VKSKVIRVBRLYCD-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCN1CC[NH+](CCOCCOC)CC1 ZINC000649896929 398169461 /nfs/dbraw/zinc/16/94/61/398169461.db2.gz IKLASYCRJHXJNA-UHFFFAOYSA-N 1 0 228.336 0.453 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@H](O)C2CC2)cc1C#N ZINC000232315243 398170529 /nfs/dbraw/zinc/17/05/29/398170529.db2.gz MSLOSCPRFUVXJY-GFCCVEGCSA-N 1 0 219.288 0.757 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H](C)[C@@H](C)[NH3+])nn1 ZINC000424205059 398175609 /nfs/dbraw/zinc/17/56/09/398175609.db2.gz FRUPFYQLZQDEDG-RKDXNWHRSA-N 1 0 237.307 0.064 20 30 BCEDRO C=CCOCC[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000645101788 398175834 /nfs/dbraw/zinc/17/58/34/398175834.db2.gz PYURYOLXOYLLJM-CYBMUJFWSA-N 1 0 240.347 0.596 20 30 BCEDRO C=CCOCC[N@H+]1CCNC(=O)C[C@@H]1C ZINC000645102882 398176913 /nfs/dbraw/zinc/17/69/13/398176913.db2.gz OBGIRAXOMQQZCI-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](O)COC(C)C ZINC000571088093 398178558 /nfs/dbraw/zinc/17/85/58/398178558.db2.gz KTGSYBZCXAKHTA-RYUDHWBXSA-N 1 0 231.336 0.547 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)COC(C)C ZINC000571088091 398178727 /nfs/dbraw/zinc/17/87/27/398178727.db2.gz KTGSYBZCXAKHTA-NWDGAFQWSA-N 1 0 231.336 0.547 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H](COC)C2CC2)nn1 ZINC000424290440 398179365 /nfs/dbraw/zinc/17/93/65/398179365.db2.gz BUIPNKMGFONZAM-LBPRGKRZSA-N 1 0 236.319 0.979 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1(C2CC2)CC1 ZINC000378735806 346817745 /nfs/dbraw/zinc/81/77/45/346817745.db2.gz MXGRSTBQDHLQAN-UHFFFAOYSA-N 1 0 206.289 0.658 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ccc(O)c(F)c1 ZINC000178581209 136217589 /nfs/dbraw/zinc/21/75/89/136217589.db2.gz ZCZMEEGDDPCVLS-UHFFFAOYSA-N 1 0 211.240 0.908 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CN(C2CC2)C[C@@H]1C ZINC000309109191 136217628 /nfs/dbraw/zinc/21/76/28/136217628.db2.gz JBZFQJDBPZESAK-HOSYDEDBSA-N 1 0 210.321 0.606 20 30 BCEDRO C[C@@H]([NH3+])C(=O)N1CCC(CCC#N)CC1 ZINC000576229381 365531002 /nfs/dbraw/zinc/53/10/02/365531002.db2.gz SRQGECRYHSBWRG-SECBINFHSA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCC[C@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000309334940 136217860 /nfs/dbraw/zinc/21/78/60/136217860.db2.gz IRCVGBRGGKIMSZ-WDEREUQCSA-N 1 0 247.360 0.744 20 30 BCEDRO C=CCC[C@H](C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000309334939 136218031 /nfs/dbraw/zinc/21/80/31/136218031.db2.gz IRCVGBRGGKIMSZ-QWRGUYRKSA-N 1 0 247.360 0.744 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](CC)Cn1cncn1 ZINC000336744654 136219464 /nfs/dbraw/zinc/21/94/64/136219464.db2.gz ZRONEQKJBDAIOZ-NXEZZACHSA-N 1 0 210.281 0.193 20 30 BCEDRO C=C[C@@H](CO)[NH2+][C@H](CC)Cn1cncn1 ZINC000336744657 136219473 /nfs/dbraw/zinc/21/94/73/136219473.db2.gz ZRONEQKJBDAIOZ-ZJUUUORDSA-N 1 0 210.281 0.193 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CN(C)CC ZINC000576289444 365553662 /nfs/dbraw/zinc/55/36/62/365553662.db2.gz DRECFKWBWXSOOU-XQQFMLRXSA-N 1 0 242.363 0.622 20 30 BCEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@H+](C)CCCO ZINC000302313745 136221511 /nfs/dbraw/zinc/22/15/11/136221511.db2.gz BLPVUXMFPCABKU-LBPRGKRZSA-N 1 0 241.335 0.355 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)O[C@@H](C)C1 ZINC000494685159 538927228 /nfs/dbraw/zinc/92/72/28/538927228.db2.gz ILFOXKAMZXXHJM-XQQFMLRXSA-N 1 0 242.363 0.574 20 30 BCEDRO C[NH+](C)[C@@H](CNc1ccnc(C#N)n1)C1CC1 ZINC000576360536 365576169 /nfs/dbraw/zinc/57/61/69/365576169.db2.gz UWUBSZGLFJSPBP-JTQLQIEISA-N 1 0 231.303 0.522 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418363291 192028259 /nfs/dbraw/zinc/02/82/59/192028259.db2.gz ICMLPZHTKXKQES-MNOVXSKESA-N 1 0 241.335 0.222 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C[C@H]1COCC[NH2+]1 ZINC000122475596 136222237 /nfs/dbraw/zinc/22/22/37/136222237.db2.gz UYFOHGVCEMHGMA-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCCN(C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418370865 192029238 /nfs/dbraw/zinc/02/92/38/192029238.db2.gz PCUPPXNKXLRVFL-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO CC(=O)NCCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000190721154 192030606 /nfs/dbraw/zinc/03/06/06/192030606.db2.gz KUXIRZQEKXKRLQ-UHFFFAOYSA-N 1 0 234.303 0.513 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418382570 192030794 /nfs/dbraw/zinc/03/07/94/192030794.db2.gz MJFYLRABQRWBFH-GHMZBOCLSA-N 1 0 241.335 0.365 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418394765 192032369 /nfs/dbraw/zinc/03/23/69/192032369.db2.gz BCTRVSWEOPZZBX-SNVBAGLBSA-N 1 0 211.309 0.634 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000418396159 192032738 /nfs/dbraw/zinc/03/27/38/192032738.db2.gz ZHNAARZVBXMDKF-SNVBAGLBSA-N 1 0 227.308 0.192 20 30 BCEDRO CC#CCCCC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629914921 361772786 /nfs/dbraw/zinc/77/27/86/361772786.db2.gz ACMRWEQKQJAYBJ-LBPRGKRZSA-N 1 0 238.331 0.363 20 30 BCEDRO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629917596 361772965 /nfs/dbraw/zinc/77/29/65/361772965.db2.gz GSEJAAGPBUGAAQ-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)C2(C#N)CCC2)CCO1 ZINC000602435708 349522358 /nfs/dbraw/zinc/52/23/58/349522358.db2.gz SNHOWARULYOFTD-ZJUUUORDSA-N 1 0 237.303 0.255 20 30 BCEDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C2(C#N)CCC2)CCO1 ZINC000602435705 349522730 /nfs/dbraw/zinc/52/27/30/349522730.db2.gz SNHOWARULYOFTD-UWVGGRQHSA-N 1 0 237.303 0.255 20 30 BCEDRO CC#CCNC(=O)N[C@H](C[NH3+])CCCC ZINC000418438931 192035843 /nfs/dbraw/zinc/03/58/43/192035843.db2.gz FKFRJHQCRZVNCX-JTQLQIEISA-N 1 0 211.309 0.826 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000665802550 488175001 /nfs/dbraw/zinc/17/50/01/488175001.db2.gz GRBGTARGZDKUTC-ZDUSSCGKSA-N 1 0 238.331 0.666 20 30 BCEDRO C[C@H]1C[C@@H](NC(=O)CC#N)C[N@@H+]1C1CC1 ZINC000334494565 136226220 /nfs/dbraw/zinc/22/62/20/136226220.db2.gz ZWPBGBNROMMHGU-DTWKUNHWSA-N 1 0 207.277 0.641 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000387474466 398234255 /nfs/dbraw/zinc/23/42/55/398234255.db2.gz UIQGKQFHDSTRAO-LLVKDONJSA-N 1 0 209.293 0.800 20 30 BCEDRO CC#CC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000283244701 136228479 /nfs/dbraw/zinc/22/84/79/136228479.db2.gz PWCWUIYVNZOUST-NXEZZACHSA-N 1 0 226.345 0.514 20 30 BCEDRO C=C[C@@H](CO)NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418422910 192037092 /nfs/dbraw/zinc/03/70/92/192037092.db2.gz BLOYREJODZDYLG-UWVGGRQHSA-N 1 0 229.324 0.206 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCN(CCOC)CC1 ZINC000336775866 398240523 /nfs/dbraw/zinc/24/05/23/398240523.db2.gz CXCRWUURHHJWFH-LLVKDONJSA-N 1 0 228.336 0.234 20 30 BCEDRO C[C@H]1CN(C(=O)C2(C#N)CCC2)C[C@H](C)[NH2+]1 ZINC000602433041 349536581 /nfs/dbraw/zinc/53/65/81/349536581.db2.gz KNZVNZFWSLDNJV-UWVGGRQHSA-N 1 0 221.304 0.889 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]2CCCC[NH2+]2)CCC1 ZINC000602432692 349536739 /nfs/dbraw/zinc/53/67/39/349536739.db2.gz QTCSATCATSRINW-JTQLQIEISA-N 1 0 221.304 0.939 20 30 BCEDRO COCCC[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000127305344 323004754 /nfs/dbraw/zinc/00/47/54/323004754.db2.gz NVBBAHXQTWQWLB-NSHDSACASA-N 1 0 241.335 0.715 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000301046436 349537499 /nfs/dbraw/zinc/53/74/99/349537499.db2.gz OTYNNARIFLTAHZ-AXFHLTTASA-N 1 0 226.320 0.738 20 30 BCEDRO CN(CCC[NH3+])C(=O)C1(C#N)CC2(CC2)C1 ZINC000602434785 349538127 /nfs/dbraw/zinc/53/81/27/349538127.db2.gz ROGRGLCOYIQEAL-UHFFFAOYSA-N 1 0 221.304 0.878 20 30 BCEDRO C=CCN(C(=O)NC[C@@H](C)C[NH3+])C1CC1 ZINC000418469292 192038529 /nfs/dbraw/zinc/03/85/29/192038529.db2.gz KFWIDIVBSXEKCR-VIFPVBQESA-N 1 0 211.309 0.941 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000320627843 398257538 /nfs/dbraw/zinc/25/75/38/398257538.db2.gz JRTAYJYXGZXEEJ-YNEHKIRRSA-N 1 0 242.363 0.670 20 30 BCEDRO C[NH+](C)CC(C)(C)CNc1ccnc(C#N)n1 ZINC000383969491 488177213 /nfs/dbraw/zinc/17/72/13/488177213.db2.gz KHTRUOXFSHAZLS-UHFFFAOYSA-N 1 0 233.319 0.770 20 30 BCEDRO C=CCOCCCC(=O)NC[C@@H]([NH3+])CC ZINC000294697235 398262913 /nfs/dbraw/zinc/26/29/13/398262913.db2.gz ANPFLRFWFZOMJZ-JTQLQIEISA-N 1 0 214.309 0.823 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CCC1 ZINC000602491617 349571942 /nfs/dbraw/zinc/57/19/42/349571942.db2.gz QCEYBCXACNDDPT-BRPSZJMVSA-N 1 0 205.261 0.014 20 30 BCEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)C1(C#N)CCC1 ZINC000602493807 349573051 /nfs/dbraw/zinc/57/30/51/349573051.db2.gz QQKIYGKULCYEFP-IUCAKERBSA-N 1 0 207.277 0.628 20 30 BCEDRO N#CC1(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)CCC1 ZINC000602495926 349558800 /nfs/dbraw/zinc/55/88/00/349558800.db2.gz IDLIFEFLDIBDSB-ZJUUUORDSA-N 1 0 221.304 0.924 20 30 BCEDRO CN1C[C@@H]([NH2+]C2CCC(C#N)CC2)CC1=O ZINC000602531045 349580220 /nfs/dbraw/zinc/58/02/20/349580220.db2.gz ZCXBERXYKNLKIA-ILDUYXDCSA-N 1 0 221.304 0.889 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]2C[NH2+]CCO2)CC2(CC2)C1 ZINC000602511844 349584862 /nfs/dbraw/zinc/58/48/62/349584862.db2.gz UTIXXNXKYUBNRK-JTQLQIEISA-N 1 0 249.314 0.175 20 30 BCEDRO N#Cc1csc(C[N@H+]2CC[C@H](C(N)=O)C2)c1 ZINC000157205818 344000663 /nfs/dbraw/zinc/00/06/63/344000663.db2.gz AJXRTOHBWAOOAU-VIFPVBQESA-N 1 0 235.312 0.927 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CCC(=O)N(C)C ZINC000602534409 349602307 /nfs/dbraw/zinc/60/23/07/349602307.db2.gz SAFWDVWBPICGDT-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1CCC(C#N)CC1 ZINC000602584825 349611915 /nfs/dbraw/zinc/61/19/15/349611915.db2.gz AZBUCUYCNKYJRF-UHFFFAOYSA-N 1 0 221.304 0.961 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CCc1nnnn1C ZINC000602583289 349609932 /nfs/dbraw/zinc/60/99/32/349609932.db2.gz PCRCRSTVIIVREW-VIFPVBQESA-N 1 0 222.296 0.282 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@]1(O)CCOC1 ZINC000602582439 349610030 /nfs/dbraw/zinc/61/00/30/349610030.db2.gz PIYCJHNQDHITGT-WDEREUQCSA-N 1 0 212.293 0.667 20 30 BCEDRO N#CC1CCC([NH2+]C[C@@]2(O)CCOC2)CC1 ZINC000602582943 349610279 /nfs/dbraw/zinc/61/02/79/349610279.db2.gz SGHYTTACUYWCNB-MCIGGMRASA-N 1 0 224.304 0.810 20 30 BCEDRO C[C@H](CC1(C#N)CCOCC1)[NH2+]CCO ZINC000602585667 349611650 /nfs/dbraw/zinc/61/16/50/349611650.db2.gz GYEUPDXCKSXFFK-SNVBAGLBSA-N 1 0 212.293 0.667 20 30 BCEDRO CC1(C#N)CCC([NH+](CCO)CCO)CC1 ZINC000600179767 342696759 /nfs/dbraw/zinc/69/67/59/342696759.db2.gz XQSAYIBCUBLEEN-UHFFFAOYSA-N 1 0 226.320 0.745 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418489380 192041626 /nfs/dbraw/zinc/04/16/26/192041626.db2.gz OIDQHCCJTQHJFG-QWRGUYRKSA-N 1 0 241.335 0.350 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418489988 192041642 /nfs/dbraw/zinc/04/16/42/192041642.db2.gz PKXUMLRIFJQNBE-PSASIEDQSA-N 1 0 211.309 0.988 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000616347581 342718868 /nfs/dbraw/zinc/71/88/68/342718868.db2.gz GLFYVUKGWUEQSH-LLVKDONJSA-N 1 0 240.347 0.866 20 30 BCEDRO COC[C@@](C)(CO)[NH2+]C[C@@H](C)CCC#N ZINC000602587038 349612838 /nfs/dbraw/zinc/61/28/38/349612838.db2.gz GJBFHBRJPGAXNF-WDEREUQCSA-N 1 0 214.309 0.913 20 30 BCEDRO COCCOCCCC[NH2+]CCC#N ZINC000166866657 361857606 /nfs/dbraw/zinc/85/76/06/361857606.db2.gz ZJZQPQJFOOKQRJ-UHFFFAOYSA-N 1 0 200.282 0.933 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@H](C)C(=O)N(C)C ZINC000602588458 349613622 /nfs/dbraw/zinc/61/36/22/349613622.db2.gz MOZQWFREBWRDJE-NXEZZACHSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H](C#N)C[NH2+]CC(C)(C)N1CCOCC1 ZINC000309609793 342744230 /nfs/dbraw/zinc/74/42/30/342744230.db2.gz ZPEKFJFTPMFVHY-NSHDSACASA-N 1 0 225.336 0.846 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000602592056 349615080 /nfs/dbraw/zinc/61/50/80/349615080.db2.gz HKYUAQDVTHNZPR-PSASIEDQSA-N 1 0 207.277 0.794 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000616156956 398279758 /nfs/dbraw/zinc/27/97/58/398279758.db2.gz QLTSEYAKCVNSAK-WCQYABFASA-N 1 0 240.347 0.865 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)CCC[NH+](C)C ZINC000613260093 361869291 /nfs/dbraw/zinc/86/92/91/361869291.db2.gz QABBLEGYNZXAGJ-LLVKDONJSA-N 1 0 214.309 0.334 20 30 BCEDRO C[NH+](C)CCCNC(=O)CC(C)(C)C#N ZINC000332515932 342749667 /nfs/dbraw/zinc/74/96/67/342749667.db2.gz ZSJZVROZMUZFMA-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C=C(C)CN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC000183058143 538965372 /nfs/dbraw/zinc/96/53/72/538965372.db2.gz WUIMJPMKFLOXJX-JTQLQIEISA-N 1 0 212.293 0.352 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000602594466 349618599 /nfs/dbraw/zinc/61/85/99/349618599.db2.gz XGYBXCXLNKYXTK-BDAKNGLRSA-N 1 0 245.273 0.992 20 30 BCEDRO C=CCSCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000231943830 342762707 /nfs/dbraw/zinc/76/27/07/342762707.db2.gz FBIDMHSDUIDLLZ-NSHDSACASA-N 1 0 241.360 0.753 20 30 BCEDRO C=CCn1cc(C(=O)NCC2([NH2+]C)CCC2)nn1 ZINC000630003183 361886155 /nfs/dbraw/zinc/88/61/55/361886155.db2.gz FTUHTHATUOUKDV-UHFFFAOYSA-N 1 0 249.318 0.336 20 30 BCEDRO C=CCCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348775004 136238517 /nfs/dbraw/zinc/23/85/17/136238517.db2.gz LCPNODFVBZPLPN-GFCCVEGCSA-N 1 0 210.321 0.969 20 30 BCEDRO COC[C@@](C)(O)C[NH2+]C[C@H](C)CCC#N ZINC000602568870 349620216 /nfs/dbraw/zinc/62/02/16/349620216.db2.gz YTEXAFPLFHRGSE-MNOVXSKESA-N 1 0 214.309 0.913 20 30 BCEDRO CN1CC[NH2+]C[C@@H]1CNc1cccc(C#N)n1 ZINC000394733598 342817033 /nfs/dbraw/zinc/81/70/33/342817033.db2.gz MDTZGQBVGZUAGC-LLVKDONJSA-N 1 0 231.303 0.269 20 30 BCEDRO CN1CC[NH2+]C[C@@H]1CNc1ccc(C#N)nc1 ZINC000394740628 342820573 /nfs/dbraw/zinc/82/05/73/342820573.db2.gz QRWNTYQBRSPHAA-GFCCVEGCSA-N 1 0 231.303 0.269 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@H](C#N)C2CC2)C1 ZINC000336470455 342806569 /nfs/dbraw/zinc/80/65/69/342806569.db2.gz AZUWBVQTBAGLBJ-NXEZZACHSA-N 1 0 207.277 0.356 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)CCOC1C[NH2+]C1 ZINC000602594201 349623050 /nfs/dbraw/zinc/62/30/50/349623050.db2.gz UPCBVMMDDODWIF-SECBINFHSA-N 1 0 225.292 0.125 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)NC1(C(F)F)CC1 ZINC000602573525 349623155 /nfs/dbraw/zinc/62/31/55/349623155.db2.gz REZBIFNKBUYMTC-SSDOTTSWSA-N 1 0 231.246 0.921 20 30 BCEDRO CC[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000602603408 349626405 /nfs/dbraw/zinc/62/64/05/349626405.db2.gz RPNUBNBCCKYRKV-OPRDCNLKSA-N 1 0 209.293 0.874 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@@H](C)[NH2+]CC)C(=O)OC ZINC000602602573 349625463 /nfs/dbraw/zinc/62/54/63/349625463.db2.gz UWRWHVAIGXALKD-ZJUUUORDSA-N 1 0 242.319 0.608 20 30 BCEDRO CO[C@H](C[NH2+]CCCC#N)[C@@H]1CCOC1 ZINC000602604943 349627339 /nfs/dbraw/zinc/62/73/39/349627339.db2.gz RZBKBZGPLRHJNP-GHMZBOCLSA-N 1 0 212.293 0.931 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@H](C)CC[NH3+] ZINC000417882150 398295261 /nfs/dbraw/zinc/29/52/61/398295261.db2.gz FUBDPYPARXQRLB-SNVBAGLBSA-N 1 0 229.324 0.616 20 30 BCEDRO COCC#CC[NH2+][C@@H](CO)c1ccccc1 ZINC000390437772 539021367 /nfs/dbraw/zinc/02/13/67/539021367.db2.gz TWDDVNNHLMPZFN-ZDUSSCGKSA-N 1 0 219.284 0.959 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000388232400 539014333 /nfs/dbraw/zinc/01/43/33/539014333.db2.gz YKLHWABBKIAEIT-VXGBXAGGSA-N 1 0 240.347 0.724 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCOC1 ZINC000294020126 398305882 /nfs/dbraw/zinc/30/58/82/398305882.db2.gz QJPVISPCUJBQHJ-NSHDSACASA-N 1 0 224.304 0.094 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000648040373 398306187 /nfs/dbraw/zinc/30/61/87/398306187.db2.gz NGIIEVCSCAZHCY-TUAOUCFPSA-N 1 0 248.330 0.858 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000362883935 536615246 /nfs/dbraw/zinc/61/52/46/536615246.db2.gz UYGIIDIBSQJUMW-UMNHJUIQSA-N 1 0 239.319 0.229 20 30 BCEDRO C=C[C@H](CO)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000418551782 192049766 /nfs/dbraw/zinc/04/97/66/192049766.db2.gz ULKIWFCTOWADGP-ZYHUDNBSSA-N 1 0 241.335 0.222 20 30 BCEDRO C[C@@H]1CN(CC2(CC#N)CC2)C[C@@H](CO)O1 ZINC000229962789 342859416 /nfs/dbraw/zinc/85/94/16/342859416.db2.gz BXJUICWHELIXOU-MNOVXSKESA-N 1 0 224.304 0.762 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(C)(C#N)C1 ZINC000336085386 398315215 /nfs/dbraw/zinc/31/52/15/398315215.db2.gz QHXJNYXVKKSQAY-VIFPVBQESA-N 1 0 207.277 0.453 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CC(C)(C#N)C1 ZINC000584002407 342899841 /nfs/dbraw/zinc/89/98/41/342899841.db2.gz YVHVDLZKDQCLAZ-SNVBAGLBSA-N 1 0 211.309 0.144 20 30 BCEDRO C=CCNC(=O)C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000351515522 136246618 /nfs/dbraw/zinc/24/66/18/136246618.db2.gz GHRJMXYDTPHUMH-NSHDSACASA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000602612258 349636327 /nfs/dbraw/zinc/63/63/27/349636327.db2.gz ORBFNLMSSNVRLH-RYUDHWBXSA-N 1 0 225.336 0.582 20 30 BCEDRO CC[C@H](C#N)C(=O)NCCOCC[NH+](C)C ZINC000233998250 342923913 /nfs/dbraw/zinc/92/39/13/342923913.db2.gz XEVIVTBLLDMJJY-SNVBAGLBSA-N 1 0 227.308 0.231 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418581910 192053000 /nfs/dbraw/zinc/05/30/00/192053000.db2.gz MKFDFDREVTUZCC-GMTAPVOTSA-N 1 0 241.335 0.493 20 30 BCEDRO C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000602601427 349647408 /nfs/dbraw/zinc/64/74/08/349647408.db2.gz LEVWZAIEIXMVDS-LPEHRKFASA-N 1 0 209.293 0.745 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@@H](C)[C@H](C)[NH3+])C(=O)OC ZINC000602599329 349645823 /nfs/dbraw/zinc/64/58/23/349645823.db2.gz HWBPGPXQWLHFBF-GUBZILKMSA-N 1 0 242.319 0.594 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@H](CC)[NH2+]C)C(=O)OC ZINC000602599848 349645897 /nfs/dbraw/zinc/64/58/97/349645897.db2.gz LMWHBPSLZVUWOK-UWVGGRQHSA-N 1 0 242.319 0.608 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CC1(C#N)CC1 ZINC000590247836 346883413 /nfs/dbraw/zinc/88/34/13/346883413.db2.gz ULRGYSWJLCINAO-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@@H](C)C(=O)NCCF ZINC000602653285 349660206 /nfs/dbraw/zinc/66/02/06/349660206.db2.gz OHNYBSVDDHILEA-UWVGGRQHSA-N 1 0 229.299 0.990 20 30 BCEDRO Cc1cc(C[NH2+]CCn2cnc(C#N)n2)sn1 ZINC000602653051 349660377 /nfs/dbraw/zinc/66/03/77/349660377.db2.gz HAFRQGBJPIKLQW-UHFFFAOYSA-N 1 0 248.315 0.705 20 30 BCEDRO COC[C@H](CO)[NH2+]C[C@@H](C)CCC#N ZINC000602637879 349652317 /nfs/dbraw/zinc/65/23/17/349652317.db2.gz IEQDVWABLPGIFX-UWVGGRQHSA-N 1 0 200.282 0.523 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@]2(CCO)CCOC2)n1 ZINC000602638944 349652489 /nfs/dbraw/zinc/65/24/89/349652489.db2.gz YRZGQLMWIKDAKS-ZDUSSCGKSA-N 1 0 247.298 0.584 20 30 BCEDRO N#CCC1(C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000602641791 349654738 /nfs/dbraw/zinc/65/47/38/349654738.db2.gz DJKLRPXTGNXWJQ-SNVBAGLBSA-N 1 0 221.304 0.939 20 30 BCEDRO C=CCCCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000561200074 398338241 /nfs/dbraw/zinc/33/82/41/398338241.db2.gz YQQZPEFYOHEWRD-NSHDSACASA-N 1 0 240.351 0.237 20 30 BCEDRO COC[C@H](O)C[NH2+]C[C@H](C)CCC#N ZINC000602656496 349661933 /nfs/dbraw/zinc/66/19/33/349661933.db2.gz YSNGJWUQXOODMS-NXEZZACHSA-N 1 0 200.282 0.523 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000602683433 349675426 /nfs/dbraw/zinc/67/54/26/349675426.db2.gz AOYDJZKQFYCPFC-LPEHRKFASA-N 1 0 235.287 0.131 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000602683430 349675443 /nfs/dbraw/zinc/67/54/43/349675443.db2.gz AOYDJZKQFYCPFC-BBBLOLIVSA-N 1 0 235.287 0.131 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000418609058 192055990 /nfs/dbraw/zinc/05/59/90/192055990.db2.gz DDMMZYUZUWRKNX-UTLUCORTSA-N 1 0 211.309 0.858 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000668022429 488188530 /nfs/dbraw/zinc/18/85/30/488188530.db2.gz GKQFSIHZVCDKQH-ZYHUDNBSSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000418609056 192055697 /nfs/dbraw/zinc/05/56/97/192055697.db2.gz DDMMZYUZUWRKNX-KXUCPTDWSA-N 1 0 211.309 0.858 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CC1(C[NH3+])CC1 ZINC000576815281 365690888 /nfs/dbraw/zinc/69/08/88/365690888.db2.gz RXLSDQLFARYUPW-QWRGUYRKSA-N 1 0 238.331 0.823 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CC(=O)NC1CC1 ZINC000602662829 349683138 /nfs/dbraw/zinc/68/31/38/349683138.db2.gz AXHGGASVDUIAAZ-SECBINFHSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000602693222 349689649 /nfs/dbraw/zinc/68/96/49/349689649.db2.gz DEWMVWKBAFCZIC-GHMZBOCLSA-N 1 0 248.334 0.907 20 30 BCEDRO CO[C@]1(C[N@@H+]2CC[C@@](O)(CC#N)C2)CCOC1 ZINC000602694736 349691807 /nfs/dbraw/zinc/69/18/07/349691807.db2.gz BVBMPOMFKKFCBQ-RYUDHWBXSA-N 1 0 240.303 0.142 20 30 BCEDRO CNC(=O)[C@@H]1CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000602698280 349694204 /nfs/dbraw/zinc/69/42/04/349694204.db2.gz NCNRRAFNASCTPS-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@H]1C[C@@H](C(N)=O)C1 ZINC000602699313 349695407 /nfs/dbraw/zinc/69/54/07/349695407.db2.gz PTCNZXNVPFRMTJ-LPEHRKFASA-N 1 0 209.293 0.780 20 30 BCEDRO N#Cc1cc(N2CCC[NH2+]CC2)ncn1 ZINC000308782140 346911143 /nfs/dbraw/zinc/91/11/43/346911143.db2.gz CXIKUMIXNRALME-UHFFFAOYSA-N 1 0 203.249 0.148 20 30 BCEDRO CNS(=O)(=O)CCC[NH2+]C[C@@H](C)CCC#N ZINC000602739066 349709305 /nfs/dbraw/zinc/70/93/05/349709305.db2.gz PVHZSPKLIBVSSV-JTQLQIEISA-N 1 0 247.364 0.455 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1COCCN1C ZINC000602724113 349714311 /nfs/dbraw/zinc/71/43/11/349714311.db2.gz GXVTVGJDVYZVLZ-RYUDHWBXSA-N 1 0 225.336 0.846 20 30 BCEDRO CN1CCOC[C@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602726361 349715468 /nfs/dbraw/zinc/71/54/68/349715468.db2.gz PZMRCRQJEDRKPE-WXRRBKDZSA-N 1 0 237.347 0.989 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H](O)CO[C@H](C)COC ZINC000447269228 201711518 /nfs/dbraw/zinc/71/15/18/201711518.db2.gz AKTTUSRPGNNLGE-GHMZBOCLSA-N 1 0 217.309 0.517 20 30 BCEDRO CCC#C[C@@H](C)N1CCN(c2nccnn2)CC1 ZINC000625641982 344022845 /nfs/dbraw/zinc/02/28/45/344022845.db2.gz JLRWVUKNIQESDA-GFCCVEGCSA-N 1 0 245.330 0.796 20 30 BCEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CC(=O)NCC(=O)OC ZINC000602752122 349730943 /nfs/dbraw/zinc/73/09/43/349730943.db2.gz XMXYRPDKLNMRNZ-VHSXEESVSA-N 1 0 242.319 0.466 20 30 BCEDRO C[C@H](CO)[N@H+](C[C@H](C)O)CC1(CC#N)CC1 ZINC000602819163 349759681 /nfs/dbraw/zinc/75/96/81/349759681.db2.gz ZIMDFJVCXCZGKB-MNOVXSKESA-N 1 0 226.320 0.744 20 30 BCEDRO N#CCC1(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000602819453 349760522 /nfs/dbraw/zinc/76/05/22/349760522.db2.gz CASSRHDSUHQFFR-CYBMUJFWSA-N 1 0 233.315 0.892 20 30 BCEDRO CC[N@H+](CC1(CC#N)CC1)[C@@H]1CCNC1=O ZINC000602823771 349763207 /nfs/dbraw/zinc/76/32/07/349763207.db2.gz DHGNIFJECIUSSP-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000602827236 349765000 /nfs/dbraw/zinc/76/50/00/349765000.db2.gz QFVITZLBRWWOML-UWVGGRQHSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@@H](CC#N)N(C)C[C@@H]1CCc2ncnn21 ZINC000602789817 349752453 /nfs/dbraw/zinc/75/24/53/349752453.db2.gz ZQHJUMBMDRUZTH-UWVGGRQHSA-N 1 0 219.292 0.999 20 30 BCEDRO C[C@@H]1C[N@H+](CCO)CCN1CC1(CC#N)CC1 ZINC000602837995 349777317 /nfs/dbraw/zinc/77/73/17/349777317.db2.gz RCHLLYBDXJRLBB-GFCCVEGCSA-N 1 0 237.347 0.679 20 30 BCEDRO C[C@H]1C[N@H+](CCO)CCN1CC1(CC#N)CC1 ZINC000602837996 349777582 /nfs/dbraw/zinc/77/75/82/349777582.db2.gz RCHLLYBDXJRLBB-LBPRGKRZSA-N 1 0 237.347 0.679 20 30 BCEDRO C=C(C)CC[N@H+]1C[C@H](C)O[C@H](C(N)=O)C1 ZINC000351878009 136261590 /nfs/dbraw/zinc/26/15/90/136261590.db2.gz QSIGMYVBBDBPKO-UWVGGRQHSA-N 1 0 212.293 0.527 20 30 BCEDRO C#CCNC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000176484785 166181665 /nfs/dbraw/zinc/18/16/65/166181665.db2.gz WKHJLVXAPNJWMP-ZJUUUORDSA-N 1 0 221.304 0.544 20 30 BCEDRO CNC(=O)CC[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856865 349789245 /nfs/dbraw/zinc/78/92/45/349789245.db2.gz NWZPGBYVXHEACH-PHIMTYICSA-N 1 0 238.335 0.041 20 30 BCEDRO C=CCN(C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418629029 192058779 /nfs/dbraw/zinc/05/87/79/192058779.db2.gz BMPNUVHUOZQXTC-GFCCVEGCSA-N 1 0 241.335 0.582 20 30 BCEDRO C[C@@H]1C[NH+](CCCCO)C[C@@H](C)N1CC#N ZINC000602859184 349789847 /nfs/dbraw/zinc/78/98/47/349789847.db2.gz WXCZHQQUHHZLIV-VXGBXAGGSA-N 1 0 225.336 0.677 20 30 BCEDRO C[NH+](C)C[C@]1(O)CCCN(CC2(C#N)CC2)C1 ZINC000602878842 349791133 /nfs/dbraw/zinc/79/11/33/349791133.db2.gz ZGCUJPWAKJRJNL-CYBMUJFWSA-N 1 0 237.347 0.679 20 30 BCEDRO C[C@@H]1C[N@@H+](CCc2cn[nH]c2)C[C@H](C)N1CC#N ZINC000602849711 349784624 /nfs/dbraw/zinc/78/46/24/349784624.db2.gz MSRZGJTZHYHPAA-TXEJJXNPSA-N 1 0 247.346 0.870 20 30 BCEDRO COCC1(C#N)CC[NH+](CCOCCO)CC1 ZINC000341974969 536801995 /nfs/dbraw/zinc/80/19/95/536801995.db2.gz IDQKEDCHGZAJEJ-UHFFFAOYSA-N 1 0 242.319 0.247 20 30 BCEDRO C[C@H]1C[NH+](CCn2cccn2)C[C@H](C)N1CC#N ZINC000602850709 349785877 /nfs/dbraw/zinc/78/58/77/349785877.db2.gz RRLRBIXBEDYHHU-STQMWFEESA-N 1 0 247.346 0.801 20 30 BCEDRO CC1(C(N)=O)C[NH+](CC2(CC#N)CC2)C1 ZINC000602851476 349786653 /nfs/dbraw/zinc/78/66/53/349786653.db2.gz KERRUNNFUHEBRU-UHFFFAOYSA-N 1 0 207.277 0.487 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCC[C@@H]1O ZINC000352687984 136264314 /nfs/dbraw/zinc/26/43/14/136264314.db2.gz ANVQWBFKDDHGBH-AXFHLTTASA-N 1 0 226.320 0.522 20 30 BCEDRO C=CCSCCNC(=O)[C@H]1CN(C)CCO1 ZINC000174354943 187227328 /nfs/dbraw/zinc/22/73/28/187227328.db2.gz IJAWGTPHMSMPDT-SNVBAGLBSA-N 1 0 244.360 0.352 20 30 BCEDRO C=C(C)C[N@H+](CC)CCCC(=O)NC(N)=O ZINC000171402485 187227477 /nfs/dbraw/zinc/22/74/77/187227477.db2.gz MDKIFVZMNBVRQD-UHFFFAOYSA-N 1 0 227.308 0.860 20 30 BCEDRO C=CCNC(=O)[C@@H](C)n1cc([C@@H]([NH3+])CC)nn1 ZINC000640884076 362068913 /nfs/dbraw/zinc/06/89/13/362068913.db2.gz UUIYSCBUYFSFSR-BDAKNGLRSA-N 1 0 237.307 0.551 20 30 BCEDRO C=CCNC(=O)[C@H](C)n1cc([C@@H]([NH3+])CC)nn1 ZINC000640884078 362068925 /nfs/dbraw/zinc/06/89/25/362068925.db2.gz UUIYSCBUYFSFSR-IUCAKERBSA-N 1 0 237.307 0.551 20 30 BCEDRO C=C(C)Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000640803961 362052395 /nfs/dbraw/zinc/05/23/95/362052395.db2.gz UMFRTQABHAAQPQ-UHFFFAOYSA-N 1 0 232.291 0.558 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000035206499 166182237 /nfs/dbraw/zinc/18/22/37/166182237.db2.gz QKQHAWGHABXBHY-GHMZBOCLSA-N 1 0 231.299 0.870 20 30 BCEDRO C=CC[C@@H](C)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418668514 192059820 /nfs/dbraw/zinc/05/98/20/192059820.db2.gz IAEHLTBMBLKBLG-IMSYWVGJSA-N 1 0 209.293 0.468 20 30 BCEDRO CC(C)OC[C@H](O)C[NH2+][C@@H](C)CC#N ZINC000602864555 349796895 /nfs/dbraw/zinc/79/68/95/349796895.db2.gz RXAWTIZMZYWRHE-VHSXEESVSA-N 1 0 200.282 0.664 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418689157 192060339 /nfs/dbraw/zinc/06/03/39/192060339.db2.gz BNUHGJWJUDKZBZ-ZJUUUORDSA-N 1 0 229.324 0.566 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)Cn1cccn1 ZINC000267310304 187235720 /nfs/dbraw/zinc/23/57/20/187235720.db2.gz MKDNTVKEWZUHIU-LLVKDONJSA-N 1 0 207.277 0.199 20 30 BCEDRO C=C(C)CNC(=O)NCC[N@@H+](C)C1CC1 ZINC000275028912 187237795 /nfs/dbraw/zinc/23/77/95/187237795.db2.gz OUQDAMJFBCCOTF-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO C#C[C@H](C)NC(=O)NC1CC[NH+](CC)CC1 ZINC000274745039 187238310 /nfs/dbraw/zinc/23/83/10/187238310.db2.gz DQALGLXINXEMFI-JTQLQIEISA-N 1 0 223.320 0.792 20 30 BCEDRO COC[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339004943 136271199 /nfs/dbraw/zinc/27/11/99/136271199.db2.gz ZTYBVKHCZFDGQS-NSHDSACASA-N 1 0 212.293 0.885 20 30 BCEDRO C[C@@H](O)[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339080103 136271254 /nfs/dbraw/zinc/27/12/54/136271254.db2.gz FVIURYIHKRPZHP-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO C[N@H+](CCOCCC#N)C[C@H]1CCOC1 ZINC000339013213 136271398 /nfs/dbraw/zinc/27/13/98/136271398.db2.gz LBGGSFLOBGTUCD-LLVKDONJSA-N 1 0 212.293 0.885 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCCC[NH+](C)C ZINC000279136263 187240571 /nfs/dbraw/zinc/24/05/71/187240571.db2.gz CNHOYFDTUGAXMR-NSHDSACASA-N 1 0 214.309 0.381 20 30 BCEDRO CC[N@H+](CCOCCC#N)C[C@@H](C)O ZINC000339190474 136280649 /nfs/dbraw/zinc/28/06/49/136280649.db2.gz VDYNLNYEZUKTIW-SNVBAGLBSA-N 1 0 200.282 0.619 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1snnc1C ZINC000262697888 136281268 /nfs/dbraw/zinc/28/12/68/136281268.db2.gz IUVMEZMCRILELD-LURJTMIESA-N 1 0 243.336 0.286 20 30 BCEDRO C=CCOCCn1cc(CCC[NH3+])nn1 ZINC000641029630 362142613 /nfs/dbraw/zinc/14/26/13/362142613.db2.gz JGCLJVLACDMABZ-UHFFFAOYSA-N 1 0 210.281 0.372 20 30 BCEDRO CNC(NCCOCc1ccccc1)=[NH+]C ZINC000266980085 136282058 /nfs/dbraw/zinc/28/20/58/136282058.db2.gz MHMPPDGMVJBDOS-UHFFFAOYSA-N 1 0 221.304 0.998 20 30 BCEDRO C=CCOCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000641029153 362143650 /nfs/dbraw/zinc/14/36/50/362143650.db2.gz ABLVTMRGTILYRB-NSHDSACASA-N 1 0 236.319 0.948 20 30 BCEDRO COC[C@H](C)OC[C@H](O)C[NH2+][C@@H](C)CC#N ZINC000602871460 349802576 /nfs/dbraw/zinc/80/25/76/349802576.db2.gz RUTOPWLHTLJXLF-GARJFASQSA-N 1 0 230.308 0.291 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000339112359 136280412 /nfs/dbraw/zinc/28/04/12/136280412.db2.gz MZQQVPUTMYMECO-VXGBXAGGSA-N 1 0 229.320 0.925 20 30 BCEDRO C=CC[N@H+](CCOC)CCc1cn(C)nn1 ZINC000625367888 343260648 /nfs/dbraw/zinc/26/06/48/343260648.db2.gz QCSKILKMXGTPOV-UHFFFAOYSA-N 1 0 224.308 0.492 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000120404844 136292545 /nfs/dbraw/zinc/29/25/45/136292545.db2.gz PRNQHYSIVKAJHZ-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCCCCn1cc(C[C@H]([NH3+])CO)nn1 ZINC000641048033 362159095 /nfs/dbraw/zinc/15/90/95/362159095.db2.gz YRSOTVBDSMLUJD-NSHDSACASA-N 1 0 238.335 0.887 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000120405276 136292575 /nfs/dbraw/zinc/29/25/75/136292575.db2.gz PRNQHYSIVKAJHZ-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000127157613 343263830 /nfs/dbraw/zinc/26/38/30/343263830.db2.gz GEXJOFNZPVRNMT-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C1CCCC1 ZINC000039535980 136292227 /nfs/dbraw/zinc/29/22/27/136292227.db2.gz WHYNQHWVEVOWSM-UHFFFAOYSA-N 1 0 239.319 0.873 20 30 BCEDRO Cn1cc([C@H](CO)[NH2+]CCC(C)(C)C#N)cn1 ZINC000275182566 136285500 /nfs/dbraw/zinc/28/55/00/136285500.db2.gz NLNRZLFFAAMAGO-NSHDSACASA-N 1 0 236.319 0.983 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H](CO)c2ccccc2)N1 ZINC000285033290 136287587 /nfs/dbraw/zinc/28/75/87/136287587.db2.gz KABIOMLMIVFQIK-JQWIXIFHSA-N 1 0 233.315 0.700 20 30 BCEDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CCCCC#N ZINC000602908407 349806884 /nfs/dbraw/zinc/80/68/84/349806884.db2.gz PFNQLOFNNFYIJU-MNOVXSKESA-N 1 0 212.293 0.498 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000669555261 488215942 /nfs/dbraw/zinc/21/59/42/488215942.db2.gz MIKIXCAGXHYTGI-GHMZBOCLSA-N 1 0 241.335 0.758 20 30 BCEDRO C=CCOCCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000669555178 488215963 /nfs/dbraw/zinc/21/59/63/488215963.db2.gz FXCIWDPHYUDJMB-LLVKDONJSA-N 1 0 241.335 0.488 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N(CCC#N)CCC#N)C1 ZINC000609257082 343394998 /nfs/dbraw/zinc/39/49/98/343394998.db2.gz QDQHOQIGVCFIAT-LLVKDONJSA-N 1 0 234.303 0.594 20 30 BCEDRO C=CCOCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000669555252 488216039 /nfs/dbraw/zinc/21/60/39/488216039.db2.gz LDZHPHGQGYVYRS-SNVBAGLBSA-N 1 0 229.324 0.472 20 30 BCEDRO N#Cc1nccc(N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000310249981 343401343 /nfs/dbraw/zinc/40/13/43/343401343.db2.gz KFLQUSILTHNFEE-JTQLQIEISA-N 1 0 231.303 0.913 20 30 BCEDRO C=C(C)[C@H](CO)n1cc([C@](C)([NH3+])CC)nn1 ZINC000641083270 362204097 /nfs/dbraw/zinc/20/40/97/362204097.db2.gz AEEBZBWZPXPHGY-GXSJLCMTSA-N 1 0 224.308 0.972 20 30 BCEDRO C=CCOCCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000669555300 488216502 /nfs/dbraw/zinc/21/65/02/488216502.db2.gz OXCUYEQOXCMTNU-QWRGUYRKSA-N 1 0 241.335 0.581 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000641083920 362204888 /nfs/dbraw/zinc/20/48/88/362204888.db2.gz FDYUQMNBJUYQHF-CMPLNLGQSA-N 1 0 236.319 0.540 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc([C@H]([NH3+])CC)nn1 ZINC000641083676 362204902 /nfs/dbraw/zinc/20/49/02/362204902.db2.gz DFHGMAGQSWTSTK-PSASIEDQSA-N 1 0 210.281 0.797 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc(CCC[NH3+])nn1 ZINC000641084764 362207435 /nfs/dbraw/zinc/20/74/35/362207435.db2.gz RQZVHKMHGHYTHX-SNVBAGLBSA-N 1 0 210.281 0.279 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000669555435 488216770 /nfs/dbraw/zinc/21/67/70/488216770.db2.gz XXNWVILKNGSOHT-UWVGGRQHSA-N 1 0 227.308 0.320 20 30 BCEDRO O=C(N[C@@H]1CC[N@@H+](C2CC2)C1)[C@H]1COCCO1 ZINC000329089727 136352519 /nfs/dbraw/zinc/35/25/19/136352519.db2.gz WCUIHOAYBLWFOB-MWLCHTKSSA-N 1 0 240.303 0.595 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[C@H]1C[NH2+]CCO1 ZINC000085620147 346940195 /nfs/dbraw/zinc/94/01/95/346940195.db2.gz MNFXXIHYVWMUNE-ZJUUUORDSA-N 1 0 225.292 0.125 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCN(C)C[C@@H]1C ZINC000351606142 136369635 /nfs/dbraw/zinc/36/96/35/136369635.db2.gz ARFBWMXLHUXJAN-NWDGAFQWSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCN(C)C[C@@H]1C ZINC000351606143 136370202 /nfs/dbraw/zinc/37/02/02/136370202.db2.gz ARFBWMXLHUXJAN-RYUDHWBXSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCN(C)C[C@H]1C ZINC000351606141 136370259 /nfs/dbraw/zinc/37/02/59/136370259.db2.gz ARFBWMXLHUXJAN-NEPJUHHUSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308925462 346941624 /nfs/dbraw/zinc/94/16/24/346941624.db2.gz DECHTLZDDNJRMK-NXEZZACHSA-N 1 0 207.277 0.570 20 30 BCEDRO CO[C@]1(CNC(=[NH2+])N(C)C2CC2)CCOC1 ZINC000262674169 136374632 /nfs/dbraw/zinc/37/46/32/136374632.db2.gz QNVCWSPGERYKAH-NSHDSACASA-N 1 0 227.308 0.201 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2ccc(F)cn2)N1 ZINC000262671855 136374679 /nfs/dbraw/zinc/37/46/79/136374679.db2.gz RLRXZOHDXFBHQK-SSDOTTSWSA-N 1 0 208.240 0.658 20 30 BCEDRO C=CC[NH+](CC=C)C[C@@H](O)CC(=O)OCC ZINC000135028288 343491452 /nfs/dbraw/zinc/49/14/52/343491452.db2.gz VVAQIJBYCOFCRP-NSHDSACASA-N 1 0 227.304 0.975 20 30 BCEDRO C=CCn1cc(C(=O)N(C)CC2C[NH+](C)C2)nn1 ZINC000618188750 343495788 /nfs/dbraw/zinc/49/57/88/343495788.db2.gz JIFWVPIVTIOTDD-UHFFFAOYSA-N 1 0 249.318 0.098 20 30 BCEDRO CCN(CCC#N)C[C@@H](O)C[N@H+](C)CCOC ZINC000310527433 343524475 /nfs/dbraw/zinc/52/44/75/343524475.db2.gz NIEWWWRNAFPNGK-LBPRGKRZSA-N 1 0 243.351 0.161 20 30 BCEDRO CN(CC(=O)NC(N)=O)Cc1ccc(C#N)cc1 ZINC000046519241 343546208 /nfs/dbraw/zinc/54/62/08/343546208.db2.gz BHLZYCOXQANRQW-UHFFFAOYSA-N 1 0 246.270 0.185 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000491309176 259364222 /nfs/dbraw/zinc/36/42/22/259364222.db2.gz XLGVVVZBGAXNHK-NXEZZACHSA-N 1 0 209.293 0.402 20 30 BCEDRO OCC(CO)[NH2+]CC#Cc1ccccc1Cl ZINC000570223499 323053262 /nfs/dbraw/zinc/05/32/62/323053262.db2.gz YNFYCBOWCFUVJX-UHFFFAOYSA-N 1 0 239.702 0.634 20 30 BCEDRO C=CCCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000379989611 365786098 /nfs/dbraw/zinc/78/60/98/365786098.db2.gz WWDRCMJXXXGLGV-LBPRGKRZSA-N 1 0 212.337 0.997 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@H](C)C[NH+](C)C ZINC000379870731 343644996 /nfs/dbraw/zinc/64/49/96/343644996.db2.gz QLHUSVOOEJFFMP-UWVGGRQHSA-N 1 0 211.309 0.850 20 30 BCEDRO C#CC[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000272990778 166192089 /nfs/dbraw/zinc/19/20/89/166192089.db2.gz KWBSBQPGHUHOFJ-LLVKDONJSA-N 1 0 220.247 0.445 20 30 BCEDRO C[C@]12C[NH+](CCCC#N)C[C@]1(C)C(=O)NC2=O ZINC000602936287 349824259 /nfs/dbraw/zinc/82/42/59/349824259.db2.gz PCPTXPLCBOHJAK-VXGBXAGGSA-N 1 0 235.287 0.275 20 30 BCEDRO CO[C@@H]1C[N@H+](CCCC#N)[C@@](C)(CO)C1 ZINC000602963608 349826492 /nfs/dbraw/zinc/82/64/92/349826492.db2.gz HGBLQSFMAJPVFC-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO C[NH2+]C(C)(C)CNc1ccncc1C#N ZINC000379921387 343655347 /nfs/dbraw/zinc/65/53/47/343655347.db2.gz HVWUKBBDYGNQLB-UHFFFAOYSA-N 1 0 204.277 0.785 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCO[C@@H](C)C1 ZINC000054172567 343656243 /nfs/dbraw/zinc/65/62/43/343656243.db2.gz FRVDPQKIHHAISD-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO C[NH+]1CCC(CNc2ccnc(C#N)n2)CC1 ZINC000380100189 343679493 /nfs/dbraw/zinc/67/94/93/343679493.db2.gz IPDNIHASQXRRPK-UHFFFAOYSA-N 1 0 231.303 0.524 20 30 BCEDRO N#Cc1ncn(CC[NH2+]CC2(F)CC2)n1 ZINC000379979743 343662685 /nfs/dbraw/zinc/66/26/85/343662685.db2.gz GRVSZEUFBVGHFV-UHFFFAOYSA-N 1 0 209.228 0.241 20 30 BCEDRO N#Cc1cnc(NCC[NH+]2CCC2)cn1 ZINC000380021245 343670411 /nfs/dbraw/zinc/67/04/11/343670411.db2.gz WLXTXPDLQAIESN-UHFFFAOYSA-N 1 0 203.249 0.466 20 30 BCEDRO C=CCNC(=[NH2+])NCC1(CCOC)CC1 ZINC000178352469 346952777 /nfs/dbraw/zinc/95/27/77/346952777.db2.gz NSYQOFOXTRMDGN-UHFFFAOYSA-N 1 0 211.309 0.893 20 30 BCEDRO N#CCCOCC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000339142071 343694966 /nfs/dbraw/zinc/69/49/66/343694966.db2.gz RXZYZQQPSHEAKJ-QWRGUYRKSA-N 1 0 228.292 0.046 20 30 BCEDRO CC#CCC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634711107 343701115 /nfs/dbraw/zinc/70/11/15/343701115.db2.gz JIWSIMUSNHYRHD-QWHCGFSZSA-N 1 0 225.332 0.901 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634711643 343701581 /nfs/dbraw/zinc/70/15/81/343701581.db2.gz RZEIKWVOTQWRRJ-CHWSQXEVSA-N 1 0 243.347 0.691 20 30 BCEDRO CC#CC[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000339756508 343702917 /nfs/dbraw/zinc/70/29/17/343702917.db2.gz FWCFQDBERNWSQT-CHWSQXEVSA-N 1 0 223.316 0.919 20 30 BCEDRO CC#CCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000418723010 192064819 /nfs/dbraw/zinc/06/48/19/192064819.db2.gz NIHIMVLNUUFDFU-GHMZBOCLSA-N 1 0 223.320 0.826 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](O)C[C@@H]1C ZINC000340920805 343719321 /nfs/dbraw/zinc/71/93/21/343719321.db2.gz XGRQYIKCTUACDG-NWDGAFQWSA-N 1 0 238.331 0.642 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@H]([NH3+])CC ZINC000418730719 192065102 /nfs/dbraw/zinc/06/51/02/192065102.db2.gz PAYFXRHFGCRVDH-VHSXEESVSA-N 1 0 229.324 0.208 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000624405367 343756132 /nfs/dbraw/zinc/75/61/32/343756132.db2.gz IWRPIOVJEGNPGE-VHSXEESVSA-N 1 0 232.349 0.622 20 30 BCEDRO CC[C@H](C[NH+]1CCN(CCC#N)CC1)OC ZINC000603016626 349857101 /nfs/dbraw/zinc/85/71/01/349857101.db2.gz IOUWWFRNVQOJSX-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO N#CCSCCC[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603088701 349866296 /nfs/dbraw/zinc/86/62/96/349866296.db2.gz OGVDSXNJBMAIMJ-NXEZZACHSA-N 1 0 212.318 0.700 20 30 BCEDRO Oc1ccccc1/C=N/C[C@@H]1C[NH+]2CCN1CC2 ZINC000178981059 346969978 /nfs/dbraw/zinc/96/99/78/346969978.db2.gz TXOIKWWZRJGNBA-GULXKOIASA-N 1 0 245.326 0.811 20 30 BCEDRO COC(=O)N1CC(NC(=[NH2+])Nc2ccccn2)C1 ZINC000179015167 346970695 /nfs/dbraw/zinc/97/06/95/346970695.db2.gz YYGBMUCSRGSNDI-UHFFFAOYSA-N 1 0 249.274 0.259 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@H]21 ZINC000381037897 343850966 /nfs/dbraw/zinc/85/09/66/343850966.db2.gz DCAVSZVEVRSURN-YNEHKIRRSA-N 1 0 220.316 0.856 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cncc(OC)n1 ZINC000625459288 343862271 /nfs/dbraw/zinc/86/22/71/343862271.db2.gz FVYHVBZCVZUSLQ-MNOVXSKESA-N 1 0 235.287 0.918 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418786103 192067263 /nfs/dbraw/zinc/06/72/63/192067263.db2.gz INFYAQMLENWLQF-MNOVXSKESA-N 1 0 241.335 0.629 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc([C@H]([NH3+])CCC)nn1 ZINC000603232403 349891965 /nfs/dbraw/zinc/89/19/65/349891965.db2.gz DUGUECASINWUMC-PSASIEDQSA-N 1 0 238.291 0.978 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc(CSCC[NH3+])nn1 ZINC000603232792 349891972 /nfs/dbraw/zinc/89/19/72/349891972.db2.gz FSJARTQMKDBCPW-SNVBAGLBSA-N 1 0 242.348 0.580 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc([C@@](C)([NH3+])CC)nn1 ZINC000603233033 349892100 /nfs/dbraw/zinc/89/21/00/349892100.db2.gz HAFDXHMDHBCNRF-KWQFWETISA-N 1 0 238.291 0.762 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@]2(CO)CCOC2)n1 ZINC000602611546 343936319 /nfs/dbraw/zinc/93/63/19/343936319.db2.gz FSBLCQKINJMAIP-LBPRGKRZSA-N 1 0 233.271 0.194 20 30 BCEDRO CCN(C[C@@H](C)C#N)C[C@@H](O)C[N@H+](C)CC ZINC000381089881 343951138 /nfs/dbraw/zinc/95/11/38/343951138.db2.gz UUQSPNHFJSWAEZ-RYUDHWBXSA-N 1 0 227.352 0.781 20 30 BCEDRO C=CCC[C@@H](O)Cn1cc(COCC[NH3+])nn1 ZINC000641213222 362275160 /nfs/dbraw/zinc/27/51/60/362275160.db2.gz ZIMYYPOZTAODPC-LLVKDONJSA-N 1 0 240.307 0.081 20 30 BCEDRO C[C@H]1CC[C@@](CO)([N@H+](C)CC(=O)NCC#N)C1 ZINC000187988662 259372392 /nfs/dbraw/zinc/37/23/92/259372392.db2.gz KJHUVTNMKZSHDD-CMPLNLGQSA-N 1 0 239.319 0.109 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)CSCC#N ZINC000068469973 362327302 /nfs/dbraw/zinc/32/73/02/362327302.db2.gz IYEUGNPJKOLPOB-SECBINFHSA-N 1 0 229.349 0.700 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000395273150 344139073 /nfs/dbraw/zinc/13/90/73/344139073.db2.gz OLINCBNNEFJXHP-MNOVXSKESA-N 1 0 223.320 0.946 20 30 BCEDRO CC1CCC(O)(C[NH2+]CC(=O)NCC#N)CC1 ZINC000087063265 344228648 /nfs/dbraw/zinc/22/86/48/344228648.db2.gz DBKOPGNKPXMDSC-UHFFFAOYSA-N 1 0 239.319 0.157 20 30 BCEDRO N#CCC1(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000600735161 344365156 /nfs/dbraw/zinc/36/51/56/344365156.db2.gz KEVMNJVCJUGMID-GFCCVEGCSA-N 1 0 237.347 0.727 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCOCC(F)F)CC1 ZINC000600734898 344365170 /nfs/dbraw/zinc/36/51/70/344365170.db2.gz QUKKLHCUVNFJJH-VIFPVBQESA-N 1 0 248.273 0.912 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634781695 344322967 /nfs/dbraw/zinc/32/29/67/344322967.db2.gz LDGIBGXZIUKFBY-GRYCIOLGSA-N 1 0 211.305 0.892 20 30 BCEDRO N#CCCCNC[C@H](O)C[NH+]1CCCC1 ZINC000600737306 344365528 /nfs/dbraw/zinc/36/55/28/344365528.db2.gz VSSHVZOHHZLGIL-NSHDSACASA-N 1 0 211.309 0.336 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600749784 344368271 /nfs/dbraw/zinc/36/82/71/344368271.db2.gz RMMWOKOORMCVGQ-RYUDHWBXSA-N 1 0 238.331 0.815 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C2COCCOC2)CC1 ZINC000600739621 344366655 /nfs/dbraw/zinc/36/66/55/344366655.db2.gz QSZLVZDWUJPLJK-NSHDSACASA-N 1 0 240.303 0.046 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)C2CC2)CC1 ZINC000600740797 344366958 /nfs/dbraw/zinc/36/69/58/344366958.db2.gz BYUTZPNMQCVTFB-MNOVXSKESA-N 1 0 224.304 0.402 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600745143 344366992 /nfs/dbraw/zinc/36/69/92/344366992.db2.gz QYFHNVUNGFAEPC-MNOVXSKESA-N 1 0 224.304 0.568 20 30 BCEDRO COCC[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600745150 344367001 /nfs/dbraw/zinc/36/70/01/344367001.db2.gz QYLCFXQBINGFCL-GHMZBOCLSA-N 1 0 242.319 0.028 20 30 BCEDRO COCC[C@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600745151 344367049 /nfs/dbraw/zinc/36/70/49/344367049.db2.gz QYLCFXQBINGFCL-MNOVXSKESA-N 1 0 242.319 0.028 20 30 BCEDRO C[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)N(C)C ZINC000600740358 344367065 /nfs/dbraw/zinc/36/70/65/344367065.db2.gz XIBYRAYCDKCGLD-QWRGUYRKSA-N 1 0 225.336 0.581 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CC2(CO)CC2)CC1 ZINC000600741221 344367326 /nfs/dbraw/zinc/36/73/26/344367326.db2.gz CPSZKIRXELWCMH-JTQLQIEISA-N 1 0 224.304 0.403 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCOCCF)CC1 ZINC000600743068 344367443 /nfs/dbraw/zinc/36/74/43/344367443.db2.gz IIHBOUNJMGUCDC-JTQLQIEISA-N 1 0 230.283 0.617 20 30 BCEDRO C[C@@H](CCO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600741228 344367578 /nfs/dbraw/zinc/36/75/78/344367578.db2.gz CRHCNVQCNINMEY-WDEREUQCSA-N 1 0 226.320 0.649 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCCn2cccn2)CC1 ZINC000600717001 344362122 /nfs/dbraw/zinc/36/21/22/344362122.db2.gz IFBCSMTWCTUXAE-GFCCVEGCSA-N 1 0 248.330 0.918 20 30 BCEDRO CCOCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600716784 344362232 /nfs/dbraw/zinc/36/22/32/344362232.db2.gz MIKVPTLQRJHOEM-SNVBAGLBSA-N 1 0 212.293 0.667 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000600736695 344363216 /nfs/dbraw/zinc/36/32/16/344363216.db2.gz RVCOCPJIFJMQCU-UKKRHICBSA-N 1 0 222.288 0.276 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCOC2)CC1 ZINC000600724597 344363692 /nfs/dbraw/zinc/36/36/92/344363692.db2.gz BPWTZMNHJJNUCK-ZJUUUORDSA-N 1 0 210.277 0.420 20 30 BCEDRO CN1CCC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600729324 344363973 /nfs/dbraw/zinc/36/39/73/344363973.db2.gz XTLWKZKVGLIJKM-NEPJUHHUSA-N 1 0 237.347 0.725 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCCn2ccnn2)CC1 ZINC000600736915 344364159 /nfs/dbraw/zinc/36/41/59/344364159.db2.gz TUKYLXLNWRHPJI-NSHDSACASA-N 1 0 249.318 0.313 20 30 BCEDRO CN1CCC[C@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600729326 344364238 /nfs/dbraw/zinc/36/42/38/344364238.db2.gz XTLWKZKVGLIJKM-RYUDHWBXSA-N 1 0 237.347 0.725 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000084383410 344424955 /nfs/dbraw/zinc/42/49/55/344424955.db2.gz BDXBSJHVVCVERT-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000600755236 344369303 /nfs/dbraw/zinc/36/93/03/344369303.db2.gz IOCBHEWHPAYNGP-NEPJUHHUSA-N 1 0 236.319 0.350 20 30 BCEDRO N#CC1(C[NH2+]CCC(N)=O)CCCCC1 ZINC000600763198 344369795 /nfs/dbraw/zinc/36/97/95/344369795.db2.gz RWGOCUXKHOGYMV-UHFFFAOYSA-N 1 0 209.293 0.925 20 30 BCEDRO CC(C)(C#N)CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000600807472 344376999 /nfs/dbraw/zinc/37/69/99/344376999.db2.gz FFCUJPMGBIEVHD-JTQLQIEISA-N 1 0 239.319 0.109 20 30 BCEDRO N#CCC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000041569419 344434894 /nfs/dbraw/zinc/43/48/94/344434894.db2.gz NWEZVQJRSFFDOW-JTQLQIEISA-N 1 0 207.277 0.597 20 30 BCEDRO CC[C@@H]([NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC000287562839 344405388 /nfs/dbraw/zinc/40/53/88/344405388.db2.gz QFHDEDVCJWQEAJ-SNVBAGLBSA-N 1 0 219.292 0.928 20 30 BCEDRO CCCN(CC[NH+](C)C)C(=O)[C@@H](C)C#N ZINC000041680732 344439750 /nfs/dbraw/zinc/43/97/50/344439750.db2.gz PQVJVAHOGLNJIE-JTQLQIEISA-N 1 0 211.309 0.946 20 30 BCEDRO C[C@H](C[NH2+]CCC#N)N1C[C@@H](C)O[C@@H](C)C1 ZINC000381449305 344506973 /nfs/dbraw/zinc/50/69/73/344506973.db2.gz GXLWPYVWQIKYKM-UTUOFQBUSA-N 1 0 225.336 0.987 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](CC(C)C)OC ZINC000491702269 347052973 /nfs/dbraw/zinc/05/29/73/347052973.db2.gz VKQPWCRQKCJPSL-LBPRGKRZSA-N 1 0 240.347 0.777 20 30 BCEDRO N#CCC[C@H](C#N)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000381501259 344513404 /nfs/dbraw/zinc/51/34/04/344513404.db2.gz PHTQFKMSEJJERV-IJLUTSLNSA-N 1 0 218.304 0.581 20 30 BCEDRO N#Cc1ccc(CN2CC[C@@H](CO)[C@H](O)C2)nc1 ZINC000577289957 344515448 /nfs/dbraw/zinc/51/54/48/344515448.db2.gz XVSBLBJQSKDSCU-WCQYABFASA-N 1 0 247.298 0.128 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc(C#N)cs1 ZINC000135518085 344530300 /nfs/dbraw/zinc/53/03/00/344530300.db2.gz YVAZHQSCXKPYMK-ZETCQYMHSA-N 1 0 223.301 0.973 20 30 BCEDRO COCCN(CCC#N)CCC(=O)OC ZINC000069051278 344543329 /nfs/dbraw/zinc/54/33/29/344543329.db2.gz JFIFGPGYDOLSRR-UHFFFAOYSA-N 1 0 214.265 0.412 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000044810680 344549070 /nfs/dbraw/zinc/54/90/70/344549070.db2.gz CMJYZLAJSKVABC-SECBINFHSA-N 1 0 209.293 0.699 20 30 BCEDRO CC(C)[NH2+][C@@H]1CCCN(CC(=O)NCC#N)C1 ZINC000609417783 344722426 /nfs/dbraw/zinc/72/24/26/344722426.db2.gz WSZKBCFEVFBJRB-LLVKDONJSA-N 1 0 238.335 0.089 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000358766466 344732633 /nfs/dbraw/zinc/73/26/33/344732633.db2.gz ICNBMBSTNMHZAC-ZJUUUORDSA-N 1 0 239.319 0.069 20 30 BCEDRO CCN(CC#N)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000574291582 344733489 /nfs/dbraw/zinc/73/34/89/344733489.db2.gz YTQKGCBTSGSSGV-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000260049121 344704482 /nfs/dbraw/zinc/70/44/82/344704482.db2.gz PFABXHZUVNLICV-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO CC[N@H+](C)CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425656585 192075631 /nfs/dbraw/zinc/07/56/31/192075631.db2.gz QHAJGRLCJACZFQ-WDEREUQCSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@H](C#N)CNC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000260172583 344716660 /nfs/dbraw/zinc/71/66/60/344716660.db2.gz UIMPWBAMQGSFLQ-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO C=CCCN1CC[NH+]([C@H](CC)CO)CC1 ZINC000075958548 344788984 /nfs/dbraw/zinc/78/89/84/344788984.db2.gz KIJDYGBDSXNCBN-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1nc(C)no1 ZINC000076105457 344794763 /nfs/dbraw/zinc/79/47/63/344794763.db2.gz IEBSGDHEDKGRPM-UHFFFAOYSA-N 1 0 209.253 0.011 20 30 BCEDRO Cc1cc(C#N)ccc1C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000166237462 344811227 /nfs/dbraw/zinc/81/12/27/344811227.db2.gz VADVANXIAFIGNW-BETUJISGSA-N 1 0 232.283 0.404 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000076963947 344811601 /nfs/dbraw/zinc/81/16/01/344811601.db2.gz KPFJKKDCESSGBT-JTQLQIEISA-N 1 0 232.349 0.434 20 30 BCEDRO C=CC[N@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000076963949 344811759 /nfs/dbraw/zinc/81/17/59/344811759.db2.gz KPFJKKDCESSGBT-SNVBAGLBSA-N 1 0 232.349 0.434 20 30 BCEDRO N#CCNC(=O)C[NH2+]C[C@@H](O)CC1CCCC1 ZINC000567707596 323077813 /nfs/dbraw/zinc/07/78/13/323077813.db2.gz ZBVVDZRDJLYQKO-NSHDSACASA-N 1 0 239.319 0.157 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCC1(C)C ZINC000583377277 344851451 /nfs/dbraw/zinc/85/14/51/344851451.db2.gz KXNSNQOPBHEJCW-RYUDHWBXSA-N 1 0 239.363 0.971 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)CC[NH2+]C2CC2)C1 ZINC000583391168 344877276 /nfs/dbraw/zinc/87/72/76/344877276.db2.gz MGRLZHBECYJWSG-GXSJLCMTSA-N 1 0 221.304 0.937 20 30 BCEDRO C=CC[N@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000078614461 344890103 /nfs/dbraw/zinc/89/01/03/344890103.db2.gz JQTSIYCOQXZTTE-UHFFFAOYSA-N 1 0 219.288 0.807 20 30 BCEDRO NC(CCO)=NOCCc1ccccc1 ZINC000121355210 344921882 /nfs/dbraw/zinc/92/18/82/344921882.db2.gz WGRMNAFNRRICNC-UHFFFAOYSA-N 1 0 208.261 0.900 20 30 BCEDRO C#CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000153607120 344922507 /nfs/dbraw/zinc/92/25/07/344922507.db2.gz RRLCERNRVBBKPG-LBPRGKRZSA-N 1 0 236.315 0.379 20 30 BCEDRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000583436029 344952990 /nfs/dbraw/zinc/95/29/90/344952990.db2.gz OQNBFBGBBCQZDY-MXWKQRLJSA-N 1 0 235.287 0.971 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000289336312 166211337 /nfs/dbraw/zinc/21/13/37/166211337.db2.gz HGWIHPGIVNBPKN-SECBINFHSA-N 1 0 219.288 0.828 20 30 BCEDRO Cc1cc(NC[C@]2(O)CC[N@@H+](C)C2)c(C#N)cn1 ZINC000425244113 192085215 /nfs/dbraw/zinc/08/52/15/192085215.db2.gz RFDBNAPYPCVCJJ-CYBMUJFWSA-N 1 0 246.314 0.162 20 30 BCEDRO CC1(C#N)CC[NH+]([C@@H]2COC[C@@H]2O)CC1 ZINC000361348234 345119787 /nfs/dbraw/zinc/11/97/87/345119787.db2.gz IRYCKRZUTVIICT-ZJUUUORDSA-N 1 0 210.277 0.372 20 30 BCEDRO CC#CCC[NH+]1CCN(c2cnn(C)c2)CC1 ZINC000155894068 345111613 /nfs/dbraw/zinc/11/16/13/345111613.db2.gz UFJTYXPXQJTUFM-UHFFFAOYSA-N 1 0 232.331 0.956 20 30 BCEDRO C[C@H](CC#N)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000579729873 345171588 /nfs/dbraw/zinc/17/15/88/345171588.db2.gz OHNWQCPEZNUHKK-SNVBAGLBSA-N 1 0 249.318 0.477 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000306238577 345129595 /nfs/dbraw/zinc/12/95/95/345129595.db2.gz MSVOJVZVMUNLKI-MRVPVSSYSA-N 1 0 206.648 0.557 20 30 BCEDRO C=CCCOCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634973643 345152620 /nfs/dbraw/zinc/15/26/20/345152620.db2.gz HCLWZKXMPBVMQN-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000227069301 345246402 /nfs/dbraw/zinc/24/64/02/345246402.db2.gz KXLFIZWVBNYRGT-GARJFASQSA-N 1 0 225.336 0.346 20 30 BCEDRO C#CCCNC(=O)[C@@H]1CC[NH2+][C@H]1C(C)C ZINC000368103317 345217419 /nfs/dbraw/zinc/21/74/19/345217419.db2.gz UWYLJOZXGKPDBC-MNOVXSKESA-N 1 0 208.305 0.760 20 30 BCEDRO C=C(Cl)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367988536 345221188 /nfs/dbraw/zinc/22/11/88/345221188.db2.gz LIKVVKNMNPOJLJ-QMMMGPOBSA-N 1 0 202.685 0.936 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cnn(C)c1C ZINC000134215699 345404560 /nfs/dbraw/zinc/40/45/60/345404560.db2.gz ULQKPDAVMMSUAI-UHFFFAOYSA-N 1 0 221.308 0.709 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(OCC#N)cc1 ZINC000135735025 345453421 /nfs/dbraw/zinc/45/34/21/345453421.db2.gz FJIKXSRSRSHQQR-JTQLQIEISA-N 1 0 247.298 0.942 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000418882756 192088443 /nfs/dbraw/zinc/08/84/43/192088443.db2.gz ASRMXUCEFOFCGW-JTQLQIEISA-N 1 0 239.319 0.019 20 30 BCEDRO CNC(=O)CC[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000300246476 345434297 /nfs/dbraw/zinc/43/42/97/345434297.db2.gz KLYZEICXROGIPT-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCNC(NC[C@H]1CCC[C@@H]1O)=[NH+]CC ZINC000081772602 345491235 /nfs/dbraw/zinc/49/12/35/345491235.db2.gz OZPAOXGDLQMAQJ-MNOVXSKESA-N 1 0 225.336 0.889 20 30 BCEDRO [NH2+]=C(NCCO)N[C@H]1CCOc2ccccc21 ZINC000083029545 345503752 /nfs/dbraw/zinc/50/37/52/345503752.db2.gz JMMBXLYRIXUQDT-JTQLQIEISA-N 1 0 235.287 0.407 20 30 BCEDRO CN(C)C(=[NH+]Cc1ccc(C(N)=O)o1)N(C)C ZINC000083053689 345508181 /nfs/dbraw/zinc/50/81/81/345508181.db2.gz BHEDIZOZGNQGHZ-UHFFFAOYSA-N 1 0 238.291 0.358 20 30 BCEDRO COCCC[N@@H+]1CCCN(CCC#N)CC1 ZINC000081087631 345464543 /nfs/dbraw/zinc/46/45/43/345464543.db2.gz QUANNQUXRCGKCV-UHFFFAOYSA-N 1 0 225.336 0.944 20 30 BCEDRO C[NH2+]CCCNC(=O)C1(C#N)CCCC1 ZINC000565146010 345532688 /nfs/dbraw/zinc/53/26/88/345532688.db2.gz ANCKADMSLAAVAD-UHFFFAOYSA-N 1 0 209.293 0.796 20 30 BCEDRO CC[N@H+](CCO)Cc1ccnc(C#N)c1 ZINC000082668725 345664822 /nfs/dbraw/zinc/66/48/22/345664822.db2.gz AIPVREMNOJHVHW-UHFFFAOYSA-N 1 0 205.261 0.767 20 30 BCEDRO N#Cc1cccc(OC[C@H]2C[NH2+]CCO2)c1 ZINC000070649770 345794935 /nfs/dbraw/zinc/79/49/35/345794935.db2.gz CEZUECZJYMZCML-GFCCVEGCSA-N 1 0 218.256 0.925 20 30 BCEDRO C=CCC[NH2+]C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000161933781 345869143 /nfs/dbraw/zinc/86/91/43/345869143.db2.gz SLKZRFDSELOKNS-SNVBAGLBSA-N 1 0 240.263 0.318 20 30 BCEDRO N#CCN1CCC[C@H]([NH+]2CCOCC2)CC1 ZINC000585716984 345981083 /nfs/dbraw/zinc/98/10/83/345981083.db2.gz QEYMEGGCASHRNG-LBPRGKRZSA-N 1 0 223.320 0.697 20 30 BCEDRO C=CCOCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635784004 346068918 /nfs/dbraw/zinc/06/89/18/346068918.db2.gz PAYHXZPZUNKQOS-UHFFFAOYSA-N 1 0 226.320 0.647 20 30 BCEDRO C[N@H+](Cc1ccnc(C#N)c1)C1(CO)CC1 ZINC000586782706 346103413 /nfs/dbraw/zinc/10/34/13/346103413.db2.gz DLDNVKPYMPUTSK-UHFFFAOYSA-N 1 0 217.272 0.910 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000636006189 346148212 /nfs/dbraw/zinc/14/82/12/346148212.db2.gz WKCVCTXBWKZPCM-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCCCNC(=O)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000419060809 192098641 /nfs/dbraw/zinc/09/86/41/192098641.db2.gz LELOPPKDIQGSPA-JTQLQIEISA-N 1 0 239.319 0.019 20 30 BCEDRO N#Cc1cc(C[NH2+]C(CO)CO)ccc1F ZINC000236471408 346242717 /nfs/dbraw/zinc/24/27/17/346242717.db2.gz ZRERYQFFPZMFBA-UHFFFAOYSA-N 1 0 224.235 0.140 20 30 BCEDRO CO[C@H](C)[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000167448910 346247836 /nfs/dbraw/zinc/24/78/36/346247836.db2.gz KONIOJHMNGIYIJ-GHMZBOCLSA-N 1 0 225.336 0.987 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000641769063 362708436 /nfs/dbraw/zinc/70/84/36/362708436.db2.gz OWHJRMIZRPYTBE-GFCCVEGCSA-N 1 0 248.330 0.407 20 30 BCEDRO C=CCCOCCNC(=[NH2+])N1CCOCC1 ZINC000155545609 346349882 /nfs/dbraw/zinc/34/98/82/346349882.db2.gz VRNWXMLQPNZEGF-UHFFFAOYSA-N 1 0 227.308 0.226 20 30 BCEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NCCC[NH3+] ZINC000419132800 192100642 /nfs/dbraw/zinc/10/06/42/192100642.db2.gz FASJZSBNTFYCLM-SNVBAGLBSA-N 1 0 241.335 0.312 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419131918 192101063 /nfs/dbraw/zinc/10/10/63/192101063.db2.gz FADOANACRMJFRT-VHSXEESVSA-N 1 0 241.335 0.311 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419131916 192100765 /nfs/dbraw/zinc/10/07/65/192100765.db2.gz FADOANACRMJFRT-NXEZZACHSA-N 1 0 241.335 0.311 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)C(C)C)C1=O ZINC000281428923 346358769 /nfs/dbraw/zinc/35/87/69/346358769.db2.gz SHHYFBFUOAEJPU-WDEREUQCSA-N 1 0 226.320 0.380 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000641767634 362702353 /nfs/dbraw/zinc/70/23/53/362702353.db2.gz NDRZXJACBVHSAI-BFHYXJOUSA-N 1 0 236.359 0.977 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cnc(CC)nc1 ZINC000641767508 362702780 /nfs/dbraw/zinc/70/27/80/362702780.db2.gz LLZOUIAFHQUXKS-GFCCVEGCSA-N 1 0 233.315 0.903 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000641768260 362705213 /nfs/dbraw/zinc/70/52/13/362705213.db2.gz YQMGHVQRYKEXTM-NSHDSACASA-N 1 0 220.272 0.651 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@@H](O)CSC ZINC000574911882 346410117 /nfs/dbraw/zinc/41/01/17/346410117.db2.gz HNYAWYPUQXTVIX-SNVBAGLBSA-N 1 0 219.350 0.893 20 30 BCEDRO C=CCC[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626165981 346397044 /nfs/dbraw/zinc/39/70/44/346397044.db2.gz KPSDMGCOUKSXIC-NSHDSACASA-N 1 0 246.376 0.824 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@H]2COCC[C@H]2O)c1 ZINC000601160121 346516169 /nfs/dbraw/zinc/51/61/69/346516169.db2.gz SNSGDDUKZPHGHB-CHWSQXEVSA-N 1 0 232.283 0.798 20 30 BCEDRO CC(=O)N1CC([NH2+]Cc2cccc(C#N)c2)C1 ZINC000580093730 346520367 /nfs/dbraw/zinc/52/03/67/346520367.db2.gz IELWONNQPBEDSI-UHFFFAOYSA-N 1 0 229.283 0.879 20 30 BCEDRO C[C@H](C[NH3+])N(C)S(=O)(=O)c1ccc(C#N)o1 ZINC000563445514 323126968 /nfs/dbraw/zinc/12/69/68/323126968.db2.gz FRHBIZNRHHUWOU-SSDOTTSWSA-N 1 0 243.288 0.119 20 30 BCEDRO C=CC[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000626169203 346610258 /nfs/dbraw/zinc/61/02/58/346610258.db2.gz HXUHVQOXEWWZAK-JTQLQIEISA-N 1 0 232.349 0.434 20 30 BCEDRO Cc1ccc(C#N)nc1NC[C@@](C)(O)C[NH+](C)C ZINC000589113001 346667503 /nfs/dbraw/zinc/66/75/03/346667503.db2.gz PNLDOYWCQAAEKG-CYBMUJFWSA-N 1 0 248.330 0.986 20 30 BCEDRO C[C@@H]1C[C@@H]1C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000580184763 346629555 /nfs/dbraw/zinc/62/95/55/346629555.db2.gz SNIFVGAKKRFQOH-UTUOFQBUSA-N 1 0 225.336 0.438 20 30 BCEDRO N#Cc1cnc(N[C@H]2CCc3cncn3C2)cn1 ZINC000588067844 346632478 /nfs/dbraw/zinc/63/24/78/346632478.db2.gz URXYAFHOGFMZES-VIFPVBQESA-N 1 0 240.270 0.972 20 30 BCEDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000580189281 346638127 /nfs/dbraw/zinc/63/81/27/346638127.db2.gz LEAORCJULOVUDL-LNFKQOIKSA-N 1 0 210.277 0.682 20 30 BCEDRO COc1cc(C[NH2+][C@H]2CCNC2=O)ccc1C#N ZINC000589573898 346713734 /nfs/dbraw/zinc/71/37/34/346713734.db2.gz VWZLCGOLFDRMSC-NSHDSACASA-N 1 0 245.282 0.545 20 30 BCEDRO C[N@H+](C[C@@H](O)CN1CC[C@](F)(C#N)C1)C1CC1 ZINC000589261607 346682090 /nfs/dbraw/zinc/68/20/90/346682090.db2.gz CTYZDJFIJLKVRQ-NEPJUHHUSA-N 1 0 241.310 0.379 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000053246068 346729517 /nfs/dbraw/zinc/72/95/17/346729517.db2.gz ZOTSHQDMZYUIIF-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO N#Cc1cncc(NC2CC[NH2+]CC2)n1 ZINC000401417945 346698754 /nfs/dbraw/zinc/69/87/54/346698754.db2.gz AFNFNEQILFVWRZ-UHFFFAOYSA-N 1 0 203.249 0.512 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)CCCC#N)C1 ZINC000589693177 346727514 /nfs/dbraw/zinc/72/75/14/346727514.db2.gz RRMSBAXLXVVICL-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2CC2(C#N)CC2)C1 ZINC000590012784 346764118 /nfs/dbraw/zinc/76/41/18/346764118.db2.gz YEZRSILDDAXTMI-QWRGUYRKSA-N 1 0 205.305 0.926 20 30 BCEDRO C[NH+](C)CCCNC(=O)CC1(C#N)CC1 ZINC000590126090 346778228 /nfs/dbraw/zinc/77/82/28/346778228.db2.gz DVRMZUFBGYMVOZ-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000589822778 346739784 /nfs/dbraw/zinc/73/97/84/346739784.db2.gz TZBOBKYUMQWEKO-CHWSQXEVSA-N 1 0 239.363 0.925 20 30 BCEDRO N#CC1(CC(=O)NCC[NH+]2CCCC2)CC1 ZINC000590133090 346779919 /nfs/dbraw/zinc/77/99/19/346779919.db2.gz PNDSPXFZGFOXTG-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000589941595 346754401 /nfs/dbraw/zinc/75/44/01/346754401.db2.gz QVVLIDAJHJUJID-CMPLNLGQSA-N 1 0 244.298 0.662 20 30 BCEDRO C[C@@H]1C[C@H](Nc2cncc(C#N)n2)CC[NH2+]1 ZINC000401536679 346782405 /nfs/dbraw/zinc/78/24/05/346782405.db2.gz YEGRNGMLMYJUEG-RKDXNWHRSA-N 1 0 217.276 0.901 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(CCOCCC#N)[C@@H]2C1 ZINC000590183972 346788663 /nfs/dbraw/zinc/78/86/63/346788663.db2.gz LDBYMAXBZUOAEY-NWDGAFQWSA-N 1 0 223.320 0.553 20 30 BCEDRO CNC(=[NH2+])NCc1nc2cc(C)ccc2n1C ZINC000183888655 347140841 /nfs/dbraw/zinc/14/08/41/347140841.db2.gz YVRJXTKGOYAODF-UHFFFAOYSA-N 1 0 231.303 0.916 20 30 BCEDRO C=CCOCCC[NH2+][C@@H]1C(=O)NCC[C@@H]1C ZINC000309732072 347150925 /nfs/dbraw/zinc/15/09/25/347150925.db2.gz BIOCOZOSYVRLDB-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCOCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C ZINC000309762043 347155725 /nfs/dbraw/zinc/15/57/25/347155725.db2.gz IWLJBYWZVISXMI-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccc(C#N)cn2)C1 ZINC000111277264 347160422 /nfs/dbraw/zinc/16/04/22/347160422.db2.gz AWEJBPXKNRIVDD-NSHDSACASA-N 1 0 244.298 0.777 20 30 BCEDRO C=CC[NH+]1CCC(C(=O)NCCOC)CC1 ZINC000641865844 362792394 /nfs/dbraw/zinc/79/23/94/362792394.db2.gz ZWSDTEZMUVUKEG-UHFFFAOYSA-N 1 0 226.320 0.647 20 30 BCEDRO N#CCCN1CCN(C[C@H]2CCC[NH2+]C2)CC1 ZINC000601333239 347225342 /nfs/dbraw/zinc/22/53/42/347225342.db2.gz QSGVDDOEPNETMW-ZDUSSCGKSA-N 1 0 236.363 0.517 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000172625115 166257023 /nfs/dbraw/zinc/25/70/23/166257023.db2.gz CQBQAVANSWWQJV-UHFFFAOYSA-N 1 0 212.293 0.353 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[NH2+][C@H](C)C1 ZINC000188372544 347279029 /nfs/dbraw/zinc/27/90/29/347279029.db2.gz XJCODZBMWZPKNT-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[NH+]3CCC2CC3)c[nH]1 ZINC000190888225 347336897 /nfs/dbraw/zinc/33/68/97/347336897.db2.gz WOWGWARQMVQRTF-UHFFFAOYSA-N 1 0 244.298 0.807 20 30 BCEDRO C[C@H](O)C[N@H+](CCCC#N)[C@@H](C)CO ZINC000190903248 347338024 /nfs/dbraw/zinc/33/80/24/347338024.db2.gz IIJMZDDQUPKEJY-UWVGGRQHSA-N 1 0 200.282 0.354 20 30 BCEDRO N#CC1CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000590482290 347354660 /nfs/dbraw/zinc/35/46/60/347354660.db2.gz JSCNUJLUMYHMSQ-LLVKDONJSA-N 1 0 219.288 0.595 20 30 BCEDRO C=CCNC(=[NH2+])NCCOCC(F)F ZINC000189573416 347305447 /nfs/dbraw/zinc/30/54/47/347305447.db2.gz PGKOMSZADKDPCZ-UHFFFAOYSA-N 1 0 207.224 0.358 20 30 BCEDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOCCC#N ZINC000338961134 136749768 /nfs/dbraw/zinc/74/97/68/136749768.db2.gz OLXKELQUZFUDHK-MNOVXSKESA-N 1 0 239.319 0.502 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CC1(O)CCOCC1 ZINC000088034184 362835932 /nfs/dbraw/zinc/83/59/32/362835932.db2.gz FWFJRXQQWWSPQM-SNVBAGLBSA-N 1 0 212.293 0.810 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000616235618 347431213 /nfs/dbraw/zinc/43/12/13/347431213.db2.gz PGNXZDDJYHDYIR-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CCC[C@@](CO)(OC)C1 ZINC000401635542 347435620 /nfs/dbraw/zinc/43/56/20/347435620.db2.gz CRVSSUARZWOZMT-ZYHUDNBSSA-N 1 0 243.303 0.187 20 30 BCEDRO C=CCNC(=[NH2+])NCCCNc1ccccn1 ZINC000195522532 347457060 /nfs/dbraw/zinc/45/70/60/347457060.db2.gz DCBGHJJAOOZJNV-UHFFFAOYSA-N 1 0 233.319 0.974 20 30 BCEDRO COCCNC(=[NH2+])NCCc1nccs1 ZINC000195522797 347457115 /nfs/dbraw/zinc/45/71/15/347457115.db2.gz HEMLTFDGKYDKFE-UHFFFAOYSA-N 1 0 228.321 0.236 20 30 BCEDRO CNC(=[NH2+])NCC[C@H]1c2ccccc2NC1=O ZINC000195523268 347457331 /nfs/dbraw/zinc/45/73/31/347457331.db2.gz RFRLLOIQXVMCBJ-VIFPVBQESA-N 1 0 232.287 0.647 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C1 ZINC000382160148 347477865 /nfs/dbraw/zinc/47/78/65/347477865.db2.gz SMKCJTGPEABXBC-KKOKHZNYSA-N 1 0 224.304 0.808 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)CC[NH2+]C1CC1 ZINC000063093314 347505900 /nfs/dbraw/zinc/50/59/00/347505900.db2.gz DSXYDFWFNZQMEM-VIFPVBQESA-N 1 0 209.293 0.889 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000336777403 347520707 /nfs/dbraw/zinc/52/07/07/347520707.db2.gz IIYZMDVTTYXTMU-QWRGUYRKSA-N 1 0 249.376 0.584 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC[C@]12CCOC2 ZINC000367445633 347540894 /nfs/dbraw/zinc/54/08/94/347540894.db2.gz ACYQIHRMUYWCQM-GFCCVEGCSA-N 1 0 224.304 0.544 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC[C@@]12CCOC2 ZINC000367445644 347541013 /nfs/dbraw/zinc/54/10/13/347541013.db2.gz ACYQIHRMUYWCQM-LBPRGKRZSA-N 1 0 224.304 0.544 20 30 BCEDRO C[C@@H](CNC(=O)N1CC[C@](F)(C#N)C1)[NH+](C)C ZINC000590835731 347571985 /nfs/dbraw/zinc/57/19/85/347571985.db2.gz FSSHPPRLLGUTBD-ONGXEEELSA-N 1 0 242.298 0.584 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000617007718 347577433 /nfs/dbraw/zinc/57/74/33/347577433.db2.gz YXRGDFSODUGILU-ZJUUUORDSA-N 1 0 226.320 0.522 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)C#N ZINC000590936358 347592783 /nfs/dbraw/zinc/59/27/83/347592783.db2.gz XPLLMQPDPQKPGQ-MNOVXSKESA-N 1 0 238.335 0.882 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC1(C)C ZINC000591240798 347632939 /nfs/dbraw/zinc/63/29/39/347632939.db2.gz CBDKMHUPHYPYQU-GHMZBOCLSA-N 1 0 225.336 0.581 20 30 BCEDRO CC(C)C1C[NH+](C[C@H](O)CN(C)CCC#N)C1 ZINC000591241796 347632949 /nfs/dbraw/zinc/63/29/49/347632949.db2.gz TXXUAFGTYYXWOM-CYBMUJFWSA-N 1 0 239.363 0.781 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)NCc1ccc(C#N)cc1 ZINC000591352695 347643383 /nfs/dbraw/zinc/64/33/83/347643383.db2.gz RVQGQVNUBNNXRI-SECBINFHSA-N 1 0 232.287 0.705 20 30 BCEDRO C[C@@H](NC(=O)NCC[NH3+])c1cccc(C#N)c1 ZINC000591354574 347643937 /nfs/dbraw/zinc/64/39/37/347643937.db2.gz VZEVUYGKOJJQCV-SECBINFHSA-N 1 0 232.287 0.877 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)NCC[NH2+]C1CC1 ZINC000591359358 347645088 /nfs/dbraw/zinc/64/50/88/347645088.db2.gz YQWAMNPKPFEQQV-UHFFFAOYSA-N 1 0 238.335 0.930 20 30 BCEDRO N#CCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000364958216 347606436 /nfs/dbraw/zinc/60/64/36/347606436.db2.gz WZRHVJNEEDVGKD-DCAQKATOSA-N 1 0 221.304 0.876 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NC/C=C\C[NH3+])C1 ZINC000591692009 347690263 /nfs/dbraw/zinc/69/02/63/347690263.db2.gz RRQFGJFVYJXVEG-MTVLHHSESA-N 1 0 222.292 0.493 20 30 BCEDRO C[N@H+](C[C@H](O)CNCC(C)(C)C#N)C1CC1 ZINC000591759827 347692446 /nfs/dbraw/zinc/69/24/46/347692446.db2.gz YROMUNIQLJCKSR-LLVKDONJSA-N 1 0 225.336 0.581 20 30 BCEDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759619 347692539 /nfs/dbraw/zinc/69/25/39/347692539.db2.gz QCKNYRNOOGQVHO-MNOVXSKESA-N 1 0 244.335 0.538 20 30 BCEDRO CCOCC[C@H](O)C[NH2+]C[C@@H](C)C#N ZINC000591735054 347693830 /nfs/dbraw/zinc/69/38/30/347693830.db2.gz YHJUYJGUMGHOON-UWVGGRQHSA-N 1 0 200.282 0.523 20 30 BCEDRO N#CCN1CCC([NH2+]CC2(O)CCCC2)CC1 ZINC000591736051 347694836 /nfs/dbraw/zinc/69/48/36/347694836.db2.gz GYOYZDDWMRYUFZ-UHFFFAOYSA-N 1 0 237.347 0.869 20 30 BCEDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC1(C#N)CC1 ZINC000592215450 347762635 /nfs/dbraw/zinc/76/26/35/347762635.db2.gz PHBCFSHJGVDGKH-BDAKNGLRSA-N 1 0 224.308 0.715 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)NCc1ccc(CC#N)cc1 ZINC000592216095 347762732 /nfs/dbraw/zinc/76/27/32/347762732.db2.gz AVLYBTGFOUYTPT-SNVBAGLBSA-N 1 0 246.314 0.899 20 30 BCEDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC1(C#N)CC1 ZINC000592215453 347762802 /nfs/dbraw/zinc/76/28/02/347762802.db2.gz PHBCFSHJGVDGKH-RKDXNWHRSA-N 1 0 224.308 0.715 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)NCc1ccc(CC#N)cc1 ZINC000592216094 347762904 /nfs/dbraw/zinc/76/29/04/347762904.db2.gz AVLYBTGFOUYTPT-JTQLQIEISA-N 1 0 246.314 0.899 20 30 BCEDRO C[C@H]1C[C@@H]([NH2+]C2CCN(CC#N)CC2)CO1 ZINC000592363292 347774107 /nfs/dbraw/zinc/77/41/07/347774107.db2.gz PWQOPSRLJWMTGT-CMPLNLGQSA-N 1 0 223.320 0.741 20 30 BCEDRO CN(Cc1ccncc1C#N)[C@]1(CO)CCOC1 ZINC000592100739 347733178 /nfs/dbraw/zinc/73/31/78/347733178.db2.gz MYUVYMUHGDHQEZ-ZDUSSCGKSA-N 1 0 247.298 0.536 20 30 BCEDRO N#CC[C@@]1(O)CCN(Cc2cscn2)C1 ZINC000592147377 347739658 /nfs/dbraw/zinc/73/96/58/347739658.db2.gz KRADYLYFSAWFJN-SNVBAGLBSA-N 1 0 223.301 0.994 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CCN1CC[C@@](O)(CC#N)C1 ZINC000592150149 347740424 /nfs/dbraw/zinc/74/04/24/347740424.db2.gz AFNZKWMGYCQPPO-OLZOCXBDSA-N 1 0 237.347 0.821 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000592149924 347740463 /nfs/dbraw/zinc/74/04/63/347740463.db2.gz ZXMFYKCNXIPKDW-VXGBXAGGSA-N 1 0 224.304 0.763 20 30 BCEDRO CCN(C)C(=O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592149624 347741093 /nfs/dbraw/zinc/74/10/93/347741093.db2.gz SHVFFCATKLSHJG-LBPRGKRZSA-N 1 0 239.319 0.205 20 30 BCEDRO CC(C)OC(=O)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150913 347741479 /nfs/dbraw/zinc/74/14/79/347741479.db2.gz JPYUMSBFAHMBNY-GFCCVEGCSA-N 1 0 240.303 0.679 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000592154582 347744130 /nfs/dbraw/zinc/74/41/30/347744130.db2.gz UKKYAAGLOUYWNW-NEPJUHHUSA-N 1 0 224.304 0.906 20 30 BCEDRO CSC[C@@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592155148 347745378 /nfs/dbraw/zinc/74/53/78/347745378.db2.gz YSTBUWYSKZHRKS-UWVGGRQHSA-N 1 0 230.333 0.061 20 30 BCEDRO C[C@@H]1CC[C@@H](C[N@@H+]2CC[C@@](O)(CC#N)C2)O1 ZINC000592155308 347745592 /nfs/dbraw/zinc/74/55/92/347745592.db2.gz ZRKOJIPIZQEFGX-WOPDTQHZSA-N 1 0 224.304 0.904 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592200919 347752958 /nfs/dbraw/zinc/75/29/58/347752958.db2.gz WUYOCERLPSMCKC-QJPTWQEYSA-N 1 0 239.315 0.644 20 30 BCEDRO COC(=O)[C@H]1C[C@H](O)C[N@H+](CCCC#N)C1 ZINC000592207040 347757275 /nfs/dbraw/zinc/75/72/75/347757275.db2.gz OBNWOQAMMLMBAG-UWVGGRQHSA-N 1 0 226.276 0.146 20 30 BCEDRO C[NH+]1CCC2(CC1)CN(CCC#N)CCO2 ZINC000592181456 347759443 /nfs/dbraw/zinc/75/94/43/347759443.db2.gz DLFDKCLOQBZGAY-UHFFFAOYSA-N 1 0 223.320 0.697 20 30 BCEDRO CC[C@@H](CO)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000345820725 365922265 /nfs/dbraw/zinc/92/22/65/365922265.db2.gz IVGXKWBKBFHRNP-NSHDSACASA-N 1 0 241.335 0.451 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N2CCO[C@@H](C#N)C2)CC[N@@H+]1C ZINC000592762625 347815225 /nfs/dbraw/zinc/81/52/25/347815225.db2.gz ZZLFYESABNKNGN-OUAUKWLOSA-N 1 0 237.303 0.078 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592762253 347815331 /nfs/dbraw/zinc/81/53/31/347815331.db2.gz HUEUCVGIMJGCCC-MXWKQRLJSA-N 1 0 223.320 0.991 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000592843598 347821210 /nfs/dbraw/zinc/82/12/10/347821210.db2.gz RGPWXXCVVWTYCU-LBPRGKRZSA-N 1 0 239.319 0.205 20 30 BCEDRO N#Cc1cnccc1CNCC1([NH3+])CCC1 ZINC000592485616 347786338 /nfs/dbraw/zinc/78/63/38/347786338.db2.gz SKZLEGOZKNUNDP-UHFFFAOYSA-N 1 0 216.288 0.924 20 30 BCEDRO C[NH2+]C[C@H]1CCN(Cc2ccncc2C#N)C1 ZINC000592472592 347790628 /nfs/dbraw/zinc/79/06/28/347790628.db2.gz BQIXHSIBIDIMEQ-LLVKDONJSA-N 1 0 230.315 0.995 20 30 BCEDRO CN(CCC[NH3+])Cc1ccncc1C#N ZINC000592474278 347790770 /nfs/dbraw/zinc/79/07/70/347790770.db2.gz QRJKFHXRCUFYAF-UHFFFAOYSA-N 1 0 204.277 0.734 20 30 BCEDRO C[C@@H](CF)[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000592513395 347792918 /nfs/dbraw/zinc/79/29/18/347792918.db2.gz AFWNOEMUFJYECX-DTWKUNHWSA-N 1 0 237.282 0.744 20 30 BCEDRO C[C@@H](O)C[NH+]1CCN([C@H](C)CCC#N)CC1 ZINC000593011212 347841427 /nfs/dbraw/zinc/84/14/27/347841427.db2.gz NDJZNKBQEICBOK-VXGBXAGGSA-N 1 0 225.336 0.677 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CN1CC[C@@](O)(CC#N)C1 ZINC000593036279 347842550 /nfs/dbraw/zinc/84/25/50/347842550.db2.gz XGFIDXWRAMREDR-NEPJUHHUSA-N 1 0 223.320 0.431 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](NC(N)=O)C1 ZINC000593018882 347845611 /nfs/dbraw/zinc/84/56/11/347845611.db2.gz BONPTGHVCYRNRY-IUCAKERBSA-N 1 0 210.281 0.421 20 30 BCEDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCCCC#N ZINC000593067031 347850201 /nfs/dbraw/zinc/85/02/01/347850201.db2.gz ROUZRQKCCFSBTD-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C=CCCCC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000577340107 365927752 /nfs/dbraw/zinc/92/77/52/365927752.db2.gz BWHUKVKGVNQGBB-NSHDSACASA-N 1 0 212.293 0.265 20 30 BCEDRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)NCC#N ZINC000593051384 347852827 /nfs/dbraw/zinc/85/28/27/347852827.db2.gz LTBIBMRLEKWYAY-UWVGGRQHSA-N 1 0 227.308 0.013 20 30 BCEDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)NCC#N ZINC000593051386 347852871 /nfs/dbraw/zinc/85/28/71/347852871.db2.gz LTBIBMRLEKWYAY-ZJUUUORDSA-N 1 0 227.308 0.013 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158566777 166274910 /nfs/dbraw/zinc/27/49/10/166274910.db2.gz HKHNIAKQMNADSK-MNOVXSKESA-N 1 0 226.320 0.917 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H](CO)CCF)C1 ZINC000593688034 347927701 /nfs/dbraw/zinc/92/77/01/347927701.db2.gz VVYZKHWGAOWKDF-BBBLOLIVSA-N 1 0 200.257 0.989 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593716669 347936198 /nfs/dbraw/zinc/93/61/98/347936198.db2.gz VGEIEAPUHPICIU-VIFPVBQESA-N 1 0 244.298 0.931 20 30 BCEDRO C[NH2+]C[C@@](C)(O)CN1Cc2cccc(C#N)c2C1 ZINC000593731241 347937886 /nfs/dbraw/zinc/93/78/86/347937886.db2.gz UXKVKXBAJDQHAR-CQSZACIVSA-N 1 0 245.326 0.844 20 30 BCEDRO C[NH2+]CCS[C@@H](C)C(=O)N(C)CCC#N ZINC000577369871 365936279 /nfs/dbraw/zinc/93/62/79/365936279.db2.gz NMDRDRROOWCDNN-VIFPVBQESA-N 1 0 229.349 0.700 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@]2(O)CCOC2)C1 ZINC000593670904 347924941 /nfs/dbraw/zinc/92/49/41/347924941.db2.gz MADLQUNSBVIZRK-UTUOFQBUSA-N 1 0 224.304 0.810 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC[C@@]2(O)CCOC2)C1 ZINC000593670903 347925163 /nfs/dbraw/zinc/92/51/63/347925163.db2.gz MADLQUNSBVIZRK-IJLUTSLNSA-N 1 0 224.304 0.810 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC[NH+]2CCC1CC2 ZINC000593642371 347925486 /nfs/dbraw/zinc/92/54/86/347925486.db2.gz HNXHLHIPEAMZEI-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NCC[NH3+] ZINC000593900794 347966588 /nfs/dbraw/zinc/96/65/88/347966588.db2.gz VQUDXHOIWJUMKC-SECBINFHSA-N 1 0 233.271 0.400 20 30 BCEDRO C[C@@H]1CN(C(=O)C2(C#N)CCCC2)CC[NH2+]1 ZINC000593902578 347967267 /nfs/dbraw/zinc/96/72/67/347967267.db2.gz AJCALZJGOALSLF-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO Cc1nc(C(=O)N2C[C@H]([NH3+])[C@@H](C)C2)ccc1C#N ZINC000593908704 347969181 /nfs/dbraw/zinc/96/91/81/347969181.db2.gz WSUJKBPYDVTRQS-KWQFWETISA-N 1 0 244.298 0.681 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CC[C@@](F)(C#N)C1 ZINC000593973154 347985664 /nfs/dbraw/zinc/98/56/64/347985664.db2.gz MEPNEXNWRHRVHG-GHMZBOCLSA-N 1 0 229.299 0.237 20 30 BCEDRO C[NH+](C)[C@H]1CN(Cc2ccncc2C#N)C[C@@H]1O ZINC000593988770 347979571 /nfs/dbraw/zinc/97/95/71/347979571.db2.gz FWMJOUWFCZUSSR-STQMWFEESA-N 1 0 246.314 0.060 20 30 BCEDRO CO[C@](C)(CO)C[NH2+]Cc1ccc(C#N)o1 ZINC000594508537 348064784 /nfs/dbraw/zinc/06/47/84/348064784.db2.gz CRVPPSCCJOWIIM-NSHDSACASA-N 1 0 224.260 0.638 20 30 BCEDRO CC(C)(C#N)c1ccc(C[NH2+]C[C@H](O)CO)cc1 ZINC000594516631 348069199 /nfs/dbraw/zinc/06/91/99/348069199.db2.gz BUJGUDXVZRRRAY-ZDUSSCGKSA-N 1 0 248.326 0.931 20 30 BCEDRO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C2 ZINC000594523669 348069577 /nfs/dbraw/zinc/06/95/77/348069577.db2.gz YZQZNAHIQWAHFF-AXFHLTTASA-N 1 0 245.330 0.954 20 30 BCEDRO C[C@@H](CC#N)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594525689 348070036 /nfs/dbraw/zinc/07/00/36/348070036.db2.gz SYFGNBFKZPPYOV-WDSKDSINSA-N 1 0 238.213 0.477 20 30 BCEDRO CCOC(=O)CC[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000591764568 490125493 /nfs/dbraw/zinc/12/54/93/490125493.db2.gz CEKWUCSXOFCUCT-JTQLQIEISA-N 1 0 240.303 0.584 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000591764623 490125512 /nfs/dbraw/zinc/12/55/12/490125512.db2.gz ILWSLFZGIGWQJH-LLVKDONJSA-N 1 0 236.319 0.086 20 30 BCEDRO CC[C@@H](COC)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594427123 348043793 /nfs/dbraw/zinc/04/37/93/348043793.db2.gz GEZLNXHIYFWPKK-WDEREUQCSA-N 1 0 241.335 0.939 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cn[nH]c1 ZINC000594429165 348044607 /nfs/dbraw/zinc/04/46/07/348044607.db2.gz RCUASSKIGYVBDS-VIFPVBQESA-N 1 0 221.264 0.759 20 30 BCEDRO CSCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594428391 348044618 /nfs/dbraw/zinc/04/46/18/348044618.db2.gz YQTFYYJMBPQEGJ-SECBINFHSA-N 1 0 229.349 0.877 20 30 BCEDRO Cn1nccc1NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594429589 348044678 /nfs/dbraw/zinc/04/46/78/348044678.db2.gz RSSYPTBLFDAUSF-SECBINFHSA-N 1 0 235.291 0.770 20 30 BCEDRO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CCO1 ZINC000594430216 348046121 /nfs/dbraw/zinc/04/61/21/348046121.db2.gz XBNCRNDGNDPPKW-MNOVXSKESA-N 1 0 239.319 0.645 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCC(F)F ZINC000594434703 348046566 /nfs/dbraw/zinc/04/65/66/348046566.db2.gz RRWTYJSRMMSUNQ-SSDOTTSWSA-N 1 0 219.235 0.779 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000594405684 348047910 /nfs/dbraw/zinc/04/79/10/348047910.db2.gz ZZLOJLRDUSGLFD-JGZJWPJOSA-N 1 0 246.314 0.956 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594403257 348047923 /nfs/dbraw/zinc/04/79/23/348047923.db2.gz OMXXOLOTCWGROF-BBBLOLIVSA-N 1 0 209.293 0.602 20 30 BCEDRO C[C@H]1CN(C(=O)CCCCC#N)CC[NH2+]1 ZINC000594424372 348051370 /nfs/dbraw/zinc/05/13/70/348051370.db2.gz CALCSPAUAPZMDV-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO COCCN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425863 348051902 /nfs/dbraw/zinc/05/19/02/348051902.db2.gz BGYYTVINDRVJAQ-JTQLQIEISA-N 1 0 227.308 0.502 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCO1 ZINC000594426138 348052056 /nfs/dbraw/zinc/05/20/56/348052056.db2.gz NNRWLUXXDDJSHH-GHMZBOCLSA-N 1 0 239.319 0.693 20 30 BCEDRO COC(=O)[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594426239 348052098 /nfs/dbraw/zinc/05/20/98/348052098.db2.gz DMKMAMLOHHLZKK-DTWKUNHWSA-N 1 0 241.291 0.075 20 30 BCEDRO C[C@H]1C[NH2+]CCN1C(=O)CCCCC#N ZINC000594426561 348052393 /nfs/dbraw/zinc/05/23/93/348052393.db2.gz OXCOMKLTCBYPKB-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C[C@@H](O)CCN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594441845 348054802 /nfs/dbraw/zinc/05/48/02/348054802.db2.gz AEMTWENEHJQIEQ-GHMZBOCLSA-N 1 0 241.335 0.627 20 30 BCEDRO N#CCCCCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000594444873 348055639 /nfs/dbraw/zinc/05/56/39/348055639.db2.gz ZNFGDTRNHVGDRZ-UWVGGRQHSA-N 1 0 227.283 0.887 20 30 BCEDRO CO[C@H](C)[C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594456118 348059078 /nfs/dbraw/zinc/05/90/78/348059078.db2.gz JGVYNVKXGLDQEH-AXFHLTTASA-N 1 0 241.335 0.937 20 30 BCEDRO CO[C@](C)(CO)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000594513851 348062013 /nfs/dbraw/zinc/06/20/13/348062013.db2.gz SZFVIJGEXCKFQS-MXWKQRLJSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCCSCC[NH2+]C[C@@H](O)COC ZINC000594717642 348106878 /nfs/dbraw/zinc/10/68/78/348106878.db2.gz DKOAZFFQGVSVDE-SNVBAGLBSA-N 1 0 219.350 0.893 20 30 BCEDRO N#CC1(Cn2cc([C@@H]([NH3+])CO)nn2)CCCCC1 ZINC000594658391 348093236 /nfs/dbraw/zinc/09/32/36/348093236.db2.gz RPJHNFIVMBSWMT-JTQLQIEISA-N 1 0 249.318 0.744 20 30 BCEDRO N#CC1(Cn2cc(COCC[NH3+])nn2)CCCC1 ZINC000594657866 348093286 /nfs/dbraw/zinc/09/32/86/348093286.db2.gz HBFJWFXCORKMOL-UHFFFAOYSA-N 1 0 249.318 0.837 20 30 BCEDRO CC[C@@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CO1 ZINC000594941063 348143208 /nfs/dbraw/zinc/14/32/08/348143208.db2.gz QKAWEQAMMJRHPL-NXEZZACHSA-N 1 0 235.291 0.307 20 30 BCEDRO CC[C@H](C#N)C(=O)NC(C)(C)C[NH+](C)C ZINC000308712709 348160512 /nfs/dbraw/zinc/16/05/12/348160512.db2.gz YQSLWLGJQMNMIR-SECBINFHSA-N 1 0 211.309 0.993 20 30 BCEDRO CC[N@H+](C[C@@H](C)C#N)C[C@H]1CNC(=O)C1 ZINC000595297688 348216864 /nfs/dbraw/zinc/21/68/64/348216864.db2.gz JGENPJQCBBEZQV-VHSXEESVSA-N 1 0 209.293 0.604 20 30 BCEDRO N#CC1(CNC(=O)NCC2([NH3+])CCCC2)CC1 ZINC000595262803 348207235 /nfs/dbraw/zinc/20/72/35/348207235.db2.gz LZESMXPEBQLLJG-UHFFFAOYSA-N 1 0 236.319 0.861 20 30 BCEDRO C[C@H](CC[NH3+])NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595265299 348207866 /nfs/dbraw/zinc/20/78/66/348207866.db2.gz NYXAIZBJBUHKPR-KOLCDFICSA-N 1 0 224.308 0.669 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000595266028 348208472 /nfs/dbraw/zinc/20/84/72/348208472.db2.gz XNPUPHKOCNQOMC-CYBMUJFWSA-N 1 0 248.330 0.851 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NCC2=CC[NH2+]CC2)C1 ZINC000595266029 348208527 /nfs/dbraw/zinc/20/85/27/348208527.db2.gz XNPUPHKOCNQOMC-ZDUSSCGKSA-N 1 0 248.330 0.851 20 30 BCEDRO C=CCCSCCNC(=O)NCC[NH3+] ZINC000595267091 348209208 /nfs/dbraw/zinc/20/92/08/348209208.db2.gz FRNRPUWWPPPNSD-UHFFFAOYSA-N 1 0 217.338 0.554 20 30 BCEDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595269045 348209650 /nfs/dbraw/zinc/20/96/50/348209650.db2.gz ZCKPLDFBNMHSFJ-CMPLNLGQSA-N 1 0 238.335 0.915 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NC2CC[NH2+]CC2)C1 ZINC000595267328 348209841 /nfs/dbraw/zinc/20/98/41/348209841.db2.gz HVXNDYJVOIVKDB-LBPRGKRZSA-N 1 0 236.319 0.684 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000595267451 348209950 /nfs/dbraw/zinc/20/99/50/348209950.db2.gz LGHIYWLDWCURPT-GXSJLCMTSA-N 1 0 222.292 0.293 20 30 BCEDRO C=CCCSCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000595268914 348209976 /nfs/dbraw/zinc/20/99/76/348209976.db2.gz XHTNDOJCSGWNLW-SNVBAGLBSA-N 1 0 243.376 0.957 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CC3CC2(C[NH3+])C3)C1 ZINC000595272956 348210622 /nfs/dbraw/zinc/21/06/22/348210622.db2.gz GOKMPYQQPSXKEQ-MSLYCWSTSA-N 1 0 248.330 0.811 20 30 BCEDRO N#Cc1ccc(CC[NH2+]C2(C(N)=O)CC2)cc1 ZINC000595423521 348246110 /nfs/dbraw/zinc/24/61/10/348246110.db2.gz CGWSFRVWFCXTMK-UHFFFAOYSA-N 1 0 229.283 0.708 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(CCC(=O)OC)C1=O ZINC000595444786 348251365 /nfs/dbraw/zinc/25/13/65/348251365.db2.gz FLWLEYMIAIOLBO-SNVBAGLBSA-N 1 0 240.303 0.268 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CC[C@](F)(C#N)C1 ZINC000595457708 348255471 /nfs/dbraw/zinc/25/54/71/348255471.db2.gz ZUFKHQPQTRIARW-NEPJUHHUSA-N 1 0 243.326 0.625 20 30 BCEDRO C#C[C@@H](C)N(C)C(=S)NCC[NH+](C)C ZINC000491622605 362855443 /nfs/dbraw/zinc/85/54/43/362855443.db2.gz PJNRTKMGCKCBOR-SECBINFHSA-N 1 0 213.350 0.376 20 30 BCEDRO N#Cc1ccc(CC[NH2+]C(CO)CO)cc1 ZINC000595512984 348267079 /nfs/dbraw/zinc/26/70/79/348267079.db2.gz QAUIYWPWFMIURM-UHFFFAOYSA-N 1 0 220.272 0.044 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000595613447 348288161 /nfs/dbraw/zinc/28/81/61/348288161.db2.gz DDWBYZKGYNBUSY-UWVGGRQHSA-N 1 0 207.277 0.501 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000595615867 348288765 /nfs/dbraw/zinc/28/87/65/348288765.db2.gz UJOFFGWGKDBWCB-CHWSQXEVSA-N 1 0 248.330 0.870 20 30 BCEDRO C=CC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000595659436 348298770 /nfs/dbraw/zinc/29/87/70/348298770.db2.gz MJCFNCGOCNOCCF-LLVKDONJSA-N 1 0 221.304 0.914 20 30 BCEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000595661359 348300292 /nfs/dbraw/zinc/30/02/92/348300292.db2.gz ZGZZANFGPDJNSN-SNVBAGLBSA-N 1 0 239.319 0.730 20 30 BCEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000595665423 348301686 /nfs/dbraw/zinc/30/16/86/348301686.db2.gz ZSHFWTBITKLKLX-XWLWVQCSSA-N 1 0 238.287 0.599 20 30 BCEDRO CC#CCN1C[C@H](C)[N@H+](CCO)C[C@H]1C ZINC000419319276 192121466 /nfs/dbraw/zinc/12/14/66/192121466.db2.gz CKWGNTTVUPMXCM-NEPJUHHUSA-N 1 0 210.321 0.397 20 30 BCEDRO C[C@H](C#N)N(C[C@@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000595710261 348321992 /nfs/dbraw/zinc/32/19/92/348321992.db2.gz OREJWCKPEFXRFR-MFKMUULPSA-N 1 0 237.347 0.818 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CCC(CO)(CO)C1 ZINC000595807007 348348377 /nfs/dbraw/zinc/34/83/77/348348377.db2.gz ONHKELBQIBGCJV-UHFFFAOYSA-N 1 0 226.320 0.603 20 30 BCEDRO CN1CC[N@@H+]([C@H]2CC[C@H](C#N)C2)CCC1=O ZINC000595772827 348337284 /nfs/dbraw/zinc/33/72/84/348337284.db2.gz ODTCMJAYCMAZAX-QWRGUYRKSA-N 1 0 221.304 0.843 20 30 BCEDRO CN1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)CCC1=O ZINC000595772821 348337398 /nfs/dbraw/zinc/33/73/98/348337398.db2.gz ODTCMJAYCMAZAX-GHMZBOCLSA-N 1 0 221.304 0.843 20 30 BCEDRO CN1CC[N@H+](CCCSCC#N)CCC1=O ZINC000595783238 348344718 /nfs/dbraw/zinc/34/47/18/348344718.db2.gz PFDRUEMTXKOEJG-UHFFFAOYSA-N 1 0 241.360 0.797 20 30 BCEDRO C[C@]1(C#N)CC[N@H+](CCCN2CCOCC2)C1 ZINC000595837114 348370649 /nfs/dbraw/zinc/37/06/49/348370649.db2.gz DJULOAPAPWZTBS-CYBMUJFWSA-N 1 0 237.347 0.944 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CC[C@@](C)(C#N)C1 ZINC000595840409 348374305 /nfs/dbraw/zinc/37/43/05/348374305.db2.gz AXPWHTFKBRMPMX-RYUDHWBXSA-N 1 0 225.336 0.535 20 30 BCEDRO C[C@]1(C#N)CC[N@H+](C[C@@]2(O)CCCOC2)C1 ZINC000595842124 348376702 /nfs/dbraw/zinc/37/67/02/348376702.db2.gz PREDTKOAGIFYJP-NEPJUHHUSA-N 1 0 224.304 0.763 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCC(=O)OC(C)(C)C ZINC000595863334 348383723 /nfs/dbraw/zinc/38/37/23/348383723.db2.gz CHXQBOKRBFFYBB-SECBINFHSA-N 1 0 215.293 0.855 20 30 BCEDRO N#CCCCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595863739 348383831 /nfs/dbraw/zinc/38/38/31/348383831.db2.gz OHVSNNBLFWAEHZ-CYBMUJFWSA-N 1 0 237.347 0.821 20 30 BCEDRO N#Cc1nccc(N[C@@H]2CC[N@@H+]3CCCC[C@H]23)n1 ZINC000385939710 362913207 /nfs/dbraw/zinc/91/32/07/362913207.db2.gz LXHZDKFOVWQGQP-GHMZBOCLSA-N 1 0 243.314 0.809 20 30 BCEDRO CCN(C[C@H](O)C[N@H+](C)CC)[C@H](C)C#N ZINC000595820709 348362621 /nfs/dbraw/zinc/36/26/21/348362621.db2.gz PBRLYQVSPWDSBW-GHMZBOCLSA-N 1 0 213.325 0.533 20 30 BCEDRO CCN(C[C@H](O)C[N@H+](C)C(C)C)[C@@H](C)C#N ZINC000595821377 348363157 /nfs/dbraw/zinc/36/31/57/348363157.db2.gz UWDYXDZRJHGQDD-NWDGAFQWSA-N 1 0 227.352 0.921 20 30 BCEDRO N#CCCOCC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000595826488 348364302 /nfs/dbraw/zinc/36/43/02/348364302.db2.gz CXRMEDZKQAIJJX-NEPJUHHUSA-N 1 0 224.304 0.885 20 30 BCEDRO N#Cc1ccc(CCNC(=O)[C@H]2C[C@@H]([NH3+])C2)cc1 ZINC000595962263 348405514 /nfs/dbraw/zinc/40/55/14/348405514.db2.gz IVAHRZPGHMLAMD-BETUJISGSA-N 1 0 243.310 0.954 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCO[C@H]2C[NH3+])C1 ZINC000595963303 348406231 /nfs/dbraw/zinc/40/62/31/348406231.db2.gz KPIHVYQQHZHMFW-VLEAKVRGSA-N 1 0 237.303 0.159 20 30 BCEDRO C=CCCSCCNC(=O)C[C@H](C[NH3+])OC ZINC000595939836 348409622 /nfs/dbraw/zinc/40/96/22/348409622.db2.gz MHEMGZSYEGIHEY-SNVBAGLBSA-N 1 0 246.376 0.776 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N1CC[C@](C)(C#N)C1 ZINC000595980746 348415752 /nfs/dbraw/zinc/41/57/52/348415752.db2.gz JUYNWCFNLLVYKC-HOSYDEDBSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000595981124 348415756 /nfs/dbraw/zinc/41/57/56/348415756.db2.gz MWGGYUPGWCCQER-JQWIXIFHSA-N 1 0 221.304 0.876 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@H]([NH3+])C2CCC2)C1 ZINC000595981126 348415915 /nfs/dbraw/zinc/41/59/15/348415915.db2.gz MWGGYUPGWCCQER-ZYHUDNBSSA-N 1 0 221.304 0.876 20 30 BCEDRO C[C@H]([NH3+])CCC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595981077 348416063 /nfs/dbraw/zinc/41/60/63/348416063.db2.gz MBKWZJMAZOEGAR-ONGXEEELSA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000595982496 348417418 /nfs/dbraw/zinc/41/74/18/348417418.db2.gz WKDQOKLLJHRXEO-PWSUYJOCSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000595982498 348417613 /nfs/dbraw/zinc/41/76/13/348417613.db2.gz WKXJDOCYCGXQDL-CYZMBNFOSA-N 1 0 233.315 0.748 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)c1cccc(C#N)c1 ZINC000595982225 348417636 /nfs/dbraw/zinc/41/76/36/348417636.db2.gz BTJNESXZCLMPIY-VIFPVBQESA-N 1 0 217.272 0.896 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000595982034 348417655 /nfs/dbraw/zinc/41/76/55/348417655.db2.gz RJIGGOHENZKTJC-SNVBAGLBSA-N 1 0 207.277 0.630 20 30 BCEDRO N#Cc1ccc(CCN2CCO[C@H](C[NH3+])C2)cc1 ZINC000595888014 348389311 /nfs/dbraw/zinc/38/93/11/348389311.db2.gz KTGKGLKNDFCSDD-CQSZACIVSA-N 1 0 245.326 0.760 20 30 BCEDRO C=CC[C@@]1(C(=O)N[C@H](C)C(=O)OC)CCC[NH2+]1 ZINC000595930040 348392456 /nfs/dbraw/zinc/39/24/56/348392456.db2.gz MMRAJSJKXLFIBX-SKDRFNHKSA-N 1 0 240.303 0.362 20 30 BCEDRO CC[C@@H]([NH2+]C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000595931581 348393069 /nfs/dbraw/zinc/39/30/69/348393069.db2.gz HVFVXRRXHZAECO-IVZWLZJFSA-N 1 0 209.293 0.793 20 30 BCEDRO CC(C)[C@@H](CO)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000595959272 348404792 /nfs/dbraw/zinc/40/47/92/348404792.db2.gz MDEKDKIUMISXAT-VHSXEESVSA-N 1 0 227.308 0.141 20 30 BCEDRO N#Cc1cnc(N[C@H]2CC[NH2+]C2)c(F)c1 ZINC000596013267 348430116 /nfs/dbraw/zinc/43/01/16/348430116.db2.gz HHTKZRXDEIUGRW-QMMMGPOBSA-N 1 0 206.224 0.866 20 30 BCEDRO N#Cc1cncnc1N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000596017019 348431050 /nfs/dbraw/zinc/43/10/50/348431050.db2.gz ZLQQXZFDAQCHCC-CYBMUJFWSA-N 1 0 243.314 0.928 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(c2cc(C#N)cnn2)C1 ZINC000596126645 348445982 /nfs/dbraw/zinc/44/59/82/348445982.db2.gz NWOHHCDBJWJMFC-JTQLQIEISA-N 1 0 231.303 0.736 20 30 BCEDRO CC[N@@H+]1CCN(c2c(C#N)cnn2C)C[C@H]1C ZINC000596173496 348461813 /nfs/dbraw/zinc/46/18/13/348461813.db2.gz VSAIEEPYSINOPY-SNVBAGLBSA-N 1 0 233.319 0.822 20 30 BCEDRO Cn1ncc(C#N)c1NCC[N@@H+]1CCCOCC1 ZINC000596202831 348465092 /nfs/dbraw/zinc/46/50/92/348465092.db2.gz JSGKPDXACFZCNW-UHFFFAOYSA-N 1 0 249.318 0.426 20 30 BCEDRO C[C@@H](CCNC(=O)c1cc(C#N)cn1C)[NH+](C)C ZINC000596453462 348551803 /nfs/dbraw/zinc/55/18/03/348551803.db2.gz KHXGZLOAPOVNLJ-JTQLQIEISA-N 1 0 248.330 0.967 20 30 BCEDRO CN(CC1C[NH+](C)C1)c1ccc(C#N)cn1 ZINC000596455050 348541791 /nfs/dbraw/zinc/54/17/91/348541791.db2.gz ZGHUYFCKWUIWHT-UHFFFAOYSA-N 1 0 216.288 0.951 20 30 BCEDRO C[C@H](Nc1ncncc1C#N)c1nccn1C ZINC000596543368 348584355 /nfs/dbraw/zinc/58/43/55/348584355.db2.gz SFJJXIOJLDXGQB-QMMMGPOBSA-N 1 0 228.259 0.677 20 30 BCEDRO C[C@H](CCNC(=O)NC[C@H](C)C#N)[NH+](C)C ZINC000596549651 348585792 /nfs/dbraw/zinc/58/57/92/348585792.db2.gz IVBHPIVOUXCULR-NXEZZACHSA-N 1 0 226.324 0.785 20 30 BCEDRO C=C(C)CN(C)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000420006300 192152073 /nfs/dbraw/zinc/15/20/73/192152073.db2.gz YVUIEPBDEJXJQB-JTQLQIEISA-N 1 0 241.335 0.120 20 30 BCEDRO N#Cc1cnn2cc(C3=CC[NH2+]CC3)cnc12 ZINC000596634726 348598028 /nfs/dbraw/zinc/59/80/28/348598028.db2.gz CWFWRWBUJITPFG-UHFFFAOYSA-N 1 0 225.255 0.978 20 30 BCEDRO C[C@H](CC#N)C(=O)NCC(C)(C)[NH+](C)C ZINC000596658070 348600234 /nfs/dbraw/zinc/60/02/34/348600234.db2.gz PHSTVRUUVKAVAZ-SECBINFHSA-N 1 0 211.309 0.993 20 30 BCEDRO COC(=O)[C@@H]1C[C@@H]1[C@H](C)[NH2+]C[C@H](C)C#N ZINC000597084381 348655100 /nfs/dbraw/zinc/65/51/00/348655100.db2.gz YZEUUKFVWKPSGB-UTINFBMNSA-N 1 0 210.277 0.933 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000275128772 166304547 /nfs/dbraw/zinc/30/45/47/166304547.db2.gz BLTOSZVNAXZSKH-NWDGAFQWSA-N 1 0 239.319 0.370 20 30 BCEDRO COCCN(CC[NH+](C)C)C(=O)[C@@H](C)CC#N ZINC000597162156 348667225 /nfs/dbraw/zinc/66/72/25/348667225.db2.gz RVIAARLGXDYTCO-NSHDSACASA-N 1 0 241.335 0.573 20 30 BCEDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)CC#N)C1 ZINC000597172636 348669020 /nfs/dbraw/zinc/66/90/20/348669020.db2.gz ILDWVVOXHMBGJH-MNOVXSKESA-N 1 0 239.319 0.373 20 30 BCEDRO CC(C)(C#N)CNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000597431575 348735113 /nfs/dbraw/zinc/73/51/13/348735113.db2.gz DLHRTBGPGMVYMN-NSHDSACASA-N 1 0 224.308 0.587 20 30 BCEDRO N#Cc1cc(N2CCC[C@@H]([NH3+])C2)ncn1 ZINC000308803795 348694501 /nfs/dbraw/zinc/69/45/01/348694501.db2.gz LTFLOLJTPPIABN-MRVPVSSYSA-N 1 0 203.249 0.276 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000597235205 348701377 /nfs/dbraw/zinc/70/13/77/348701377.db2.gz GANWJYDKBJDSRK-LLVKDONJSA-N 1 0 243.270 0.237 20 30 BCEDRO C[C@@H](CC#N)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000597482284 348740317 /nfs/dbraw/zinc/74/03/17/348740317.db2.gz WYCXXHAECGWUET-JTQLQIEISA-N 1 0 221.304 0.914 20 30 BCEDRO CC[C@H](CC#N)NC(=O)C1([NH+](C)C)CC1 ZINC000597506474 348746457 /nfs/dbraw/zinc/74/64/57/348746457.db2.gz ATTCYSKCPMKUGI-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO C[C@H](CC#N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000597584165 348758816 /nfs/dbraw/zinc/75/88/16/348758816.db2.gz QAYURWZIPDLOTA-MXWKQRLJSA-N 1 0 221.304 0.556 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000597584163 348758929 /nfs/dbraw/zinc/75/89/29/348758929.db2.gz QAYURWZIPDLOTA-GARJFASQSA-N 1 0 221.304 0.556 20 30 BCEDRO C[NH+](C)C1(C(=O)NCC2(C#N)CCC2)CC1 ZINC000597785500 348817389 /nfs/dbraw/zinc/81/73/89/348817389.db2.gz MXRNPYWLNRCHHW-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO CN(Cc1c[nH]cn1)C(=O)C(C)(C)C#N ZINC000597865761 348831885 /nfs/dbraw/zinc/83/18/85/348831885.db2.gz VZHWMPAVQLCBFV-UHFFFAOYSA-N 1 0 206.249 0.918 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597992051 348851815 /nfs/dbraw/zinc/85/18/15/348851815.db2.gz IYRYWPPMBFWOEY-NXEZZACHSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@H](CCNC(=O)C(C)(C)C#N)[NH+](C)C ZINC000598000953 348854860 /nfs/dbraw/zinc/85/48/60/348854860.db2.gz WETKFSLSKHRTFY-SECBINFHSA-N 1 0 211.309 0.993 20 30 BCEDRO C=C(C)C[N@@H+]1CCCC[C@@H]1CNS(C)(=O)=O ZINC000051734600 348980985 /nfs/dbraw/zinc/98/09/85/348980985.db2.gz FZNHYTARVOBFDN-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)CC(C)(C)C#N ZINC000598598649 348991973 /nfs/dbraw/zinc/99/19/73/348991973.db2.gz HNYMGSPZNUCFIX-GMTAPVOTSA-N 1 0 226.320 0.742 20 30 BCEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598598650 348992229 /nfs/dbraw/zinc/99/22/29/348992229.db2.gz HNYMGSPZNUCFIX-MXWKQRLJSA-N 1 0 226.320 0.742 20 30 BCEDRO C[C@@H]1C[C@H](O)C[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598620888 349002679 /nfs/dbraw/zinc/00/26/79/349002679.db2.gz PBKAPJUUYRMWTF-WOPDTQHZSA-N 1 0 240.347 0.990 20 30 BCEDRO CC(C)[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[NH2+]1 ZINC000598569718 348993381 /nfs/dbraw/zinc/99/33/81/348993381.db2.gz DAUPBLJTXBTYRM-LBPRGKRZSA-N 1 0 246.314 0.956 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000598576608 348994447 /nfs/dbraw/zinc/99/44/47/348994447.db2.gz XPESPOQHNIZJJM-WDEREUQCSA-N 1 0 223.320 0.993 20 30 BCEDRO CN1CCC[N@H+](C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598586142 348994995 /nfs/dbraw/zinc/99/49/95/348994995.db2.gz DNNDMZKSUZOTEQ-GFCCVEGCSA-N 1 0 239.363 0.925 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH+]1CCC(O)CC1 ZINC000598586888 348995579 /nfs/dbraw/zinc/99/55/79/348995579.db2.gz GCLAKUXVLLDBFM-LLVKDONJSA-N 1 0 226.320 0.744 20 30 BCEDRO CC(C)[N@@H+](CC(N)=O)C[C@@H](O)CC(C)(C)C#N ZINC000598586925 348995631 /nfs/dbraw/zinc/99/56/31/348995631.db2.gz LDUOSUBANRZPHF-JTQLQIEISA-N 1 0 241.335 0.483 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCn1cccn1 ZINC000598588368 348995776 /nfs/dbraw/zinc/99/57/76/348995776.db2.gz KDBKCYXWYHGZLS-NSHDSACASA-N 1 0 236.319 0.773 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000598593039 348998697 /nfs/dbraw/zinc/99/86/97/348998697.db2.gz QMOSFPUJQKLVNK-NEPJUHHUSA-N 1 0 240.347 0.991 20 30 BCEDRO C[C@@H](O)C[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598592519 348998848 /nfs/dbraw/zinc/99/88/48/348998848.db2.gz LMARLTLPFPCDHS-ZJUUUORDSA-N 1 0 214.309 0.600 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](C)(C#N)C2)C1 ZINC000598409488 348965225 /nfs/dbraw/zinc/96/52/25/348965225.db2.gz BCKCWYAZLMKOCG-PWSUYJOCSA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@@H](C(=O)N1CC[C@@](C)(C#N)C1)[NH+](C)C ZINC000598409363 348965350 /nfs/dbraw/zinc/96/53/50/348965350.db2.gz QFMXQASNRJAQQT-ONGXEEELSA-N 1 0 209.293 0.699 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@@](C)(C#N)C1 ZINC000598414080 348968361 /nfs/dbraw/zinc/96/83/61/348968361.db2.gz YDBONVZNABJEHU-PWSUYJOCSA-N 1 0 221.304 0.843 20 30 BCEDRO C[C@H](CCO)[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598622900 349003465 /nfs/dbraw/zinc/00/34/65/349003465.db2.gz OTIHJGATTXKWTH-GHMZBOCLSA-N 1 0 228.336 0.990 20 30 BCEDRO CNS(=O)(=O)CCN1CCC[C@@](C)(C#N)C1 ZINC000598603822 349006320 /nfs/dbraw/zinc/00/63/20/349006320.db2.gz KKDJOXISFOBBER-JTQLQIEISA-N 1 0 245.348 0.161 20 30 BCEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@H]1CO ZINC000598607047 349006647 /nfs/dbraw/zinc/00/66/47/349006647.db2.gz LGNKXWXZJHQEFU-UTUOFQBUSA-N 1 0 240.347 0.990 20 30 BCEDRO C[C@@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@H]1CO ZINC000598607049 349007135 /nfs/dbraw/zinc/00/71/35/349007135.db2.gz LGNKXWXZJHQEFU-WOPDTQHZSA-N 1 0 240.347 0.990 20 30 BCEDRO C[C@@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598703668 349022530 /nfs/dbraw/zinc/02/25/30/349022530.db2.gz IRUIJBJJAWCPCW-RKDXNWHRSA-N 1 0 200.282 0.258 20 30 BCEDRO CC[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598703046 349022541 /nfs/dbraw/zinc/02/25/41/349022541.db2.gz BQXOLCAZMSVFQM-NXEZZACHSA-N 1 0 214.309 0.648 20 30 BCEDRO CC(=O)NCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598704540 349023262 /nfs/dbraw/zinc/02/32/62/349023262.db2.gz RFRHXGQBJMMKLC-SNVBAGLBSA-N 1 0 227.308 0.013 20 30 BCEDRO Cn1nccc1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598713464 349025385 /nfs/dbraw/zinc/02/53/85/349025385.db2.gz CEUVWMIJTKIJDU-NSHDSACASA-N 1 0 236.319 0.810 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C2COCCOC2)C1 ZINC000308891247 349025906 /nfs/dbraw/zinc/02/59/06/349025906.db2.gz WZOBKPWHGNSTPD-ZJUUUORDSA-N 1 0 210.277 0.684 20 30 BCEDRO CN1CCC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1 ZINC000598721533 349027810 /nfs/dbraw/zinc/02/78/10/349027810.db2.gz WUSSODGTEUCHRK-VXGBXAGGSA-N 1 0 239.363 0.971 20 30 BCEDRO CN1CCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598722290 349028236 /nfs/dbraw/zinc/02/82/36/349028236.db2.gz ZYBPIHSQOXLLFT-RYUDHWBXSA-N 1 0 239.363 0.971 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCc1cn[nH]c1 ZINC000598725171 349028980 /nfs/dbraw/zinc/02/89/80/349028980.db2.gz CNFAJDVEBRCUIR-LLVKDONJSA-N 1 0 236.319 0.843 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C1COCCOC1 ZINC000598728131 349030291 /nfs/dbraw/zinc/03/02/91/349030291.db2.gz NMXJZXZZRFPGQU-NSHDSACASA-N 1 0 242.319 0.292 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC(C)(C)CO ZINC000598728285 349030626 /nfs/dbraw/zinc/03/06/26/349030626.db2.gz ANKNPVHLKZHULY-JTQLQIEISA-N 1 0 228.336 0.895 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730399 349032399 /nfs/dbraw/zinc/03/23/99/349032399.db2.gz UVFOILCQSCUZGP-QWRGUYRKSA-N 1 0 226.320 0.814 20 30 BCEDRO C[C@@H](CCO)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730403 349032475 /nfs/dbraw/zinc/03/24/75/349032475.db2.gz UXXLTIGIODRJLD-QWRGUYRKSA-N 1 0 228.336 0.895 20 30 BCEDRO C[C@@H](CCO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730435 349032842 /nfs/dbraw/zinc/03/28/42/349032842.db2.gz VIQJKIYLBBIZPD-VHSXEESVSA-N 1 0 214.309 0.648 20 30 BCEDRO C[C@H](CO)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598700157 349033576 /nfs/dbraw/zinc/03/35/76/349033576.db2.gz LNBZSHGUAQVZMW-VHSXEESVSA-N 1 0 214.309 0.505 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)o1 ZINC000599010537 349076139 /nfs/dbraw/zinc/07/61/39/349076139.db2.gz ANHPBGFLZGKOKQ-GHMZBOCLSA-N 1 0 222.244 0.391 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)[C@@H]1CCCCO1 ZINC000599047904 349089627 /nfs/dbraw/zinc/08/96/27/349089627.db2.gz DAKKFTZOIGKNAP-MNOVXSKESA-N 1 0 249.318 0.697 20 30 BCEDRO Cc1ccc(C#N)c(NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000599175991 349103893 /nfs/dbraw/zinc/10/38/93/349103893.db2.gz MUZISZAYLRYOEA-GFCCVEGCSA-N 1 0 246.314 0.740 20 30 BCEDRO N#Cc1ccncc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599176385 349103949 /nfs/dbraw/zinc/10/39/49/349103949.db2.gz SGNIZBWEHGAFQX-LLVKDONJSA-N 1 0 232.287 0.432 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCn2cccn2)CC1 ZINC000599289943 349148130 /nfs/dbraw/zinc/14/81/30/349148130.db2.gz NTBUMBPEQOXHTH-NSHDSACASA-N 1 0 234.303 0.527 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH+]2CCC2)CCOCC1 ZINC000599292010 349149049 /nfs/dbraw/zinc/14/90/49/349149049.db2.gz CUDXIBSKQRDSPJ-LLVKDONJSA-N 1 0 224.304 0.763 20 30 BCEDRO N#Cc1ccc(NCC[N@H+]2CC[C@H](O)C2)cn1 ZINC000599200180 349117299 /nfs/dbraw/zinc/11/72/99/349117299.db2.gz ZPPPKERYRRTELY-LBPRGKRZSA-N 1 0 232.287 0.432 20 30 BCEDRO N#Cc1cccnc1NCC[N@H+]1CC[C@H](O)C1 ZINC000599202580 349118196 /nfs/dbraw/zinc/11/81/96/349118196.db2.gz QSUNDNBSRRHSAK-NSHDSACASA-N 1 0 232.287 0.432 20 30 BCEDRO CC[C@@H]1CN(c2nccnc2C#N)C[C@H](C)[NH2+]1 ZINC000599179478 349121656 /nfs/dbraw/zinc/12/16/56/349121656.db2.gz HTZDDQLIBZZPSN-VHSXEESVSA-N 1 0 231.303 0.925 20 30 BCEDRO CC(C)[N@@H+]1CC[C@H](CNc2ccnc(C#N)n2)C1 ZINC000386079921 362939434 /nfs/dbraw/zinc/93/94/34/362939434.db2.gz GZUNOKRVCDINEK-LLVKDONJSA-N 1 0 245.330 0.912 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NC[C@H]1CCC[N@H+]1C ZINC000273275532 192390280 /nfs/dbraw/zinc/39/02/80/192390280.db2.gz KGNQUJXGKXGWBV-WDEREUQCSA-N 1 0 241.335 0.317 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000273208343 192390591 /nfs/dbraw/zinc/39/05/91/192390591.db2.gz ACGHTLWMYVHCHY-MNOVXSKESA-N 1 0 243.351 0.563 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599432713 349173212 /nfs/dbraw/zinc/17/32/12/349173212.db2.gz AONXCWNYRDVRSO-UTUOFQBUSA-N 1 0 236.315 0.974 20 30 BCEDRO C[N@H+](C[C@H](O)CC1(C#N)CC1)CC(C)(C)CO ZINC000599432591 349173537 /nfs/dbraw/zinc/17/35/37/349173537.db2.gz VSWHYAAXWAPZJM-LLVKDONJSA-N 1 0 240.347 0.991 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CC(=O)OCC ZINC000599433529 349174115 /nfs/dbraw/zinc/17/41/15/349174115.db2.gz UNQBMUSOZHSHMJ-AXFHLTTASA-N 1 0 243.303 0.234 20 30 BCEDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599434283 349174468 /nfs/dbraw/zinc/17/44/68/349174468.db2.gz XCZVNHAASNLDRQ-HBNTYKKESA-N 1 0 238.331 0.790 20 30 BCEDRO COC(=O)[C@@]1(OC)CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000599563536 349218594 /nfs/dbraw/zinc/21/85/94/349218594.db2.gz ILWWXKWXRBNRDS-ZYHUDNBSSA-N 1 0 240.303 0.943 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599563040 349218943 /nfs/dbraw/zinc/21/89/43/349218943.db2.gz HTHKRCDGYRZBAH-JQWIXIFHSA-N 1 0 243.303 0.187 20 30 BCEDRO COC(=O)[C@@]1(OC)CC[N@H+](CCCCC#N)C1 ZINC000599563026 349218976 /nfs/dbraw/zinc/21/89/76/349218976.db2.gz LSGLZOYRXRBAGU-GFCCVEGCSA-N 1 0 240.303 0.944 20 30 BCEDRO C[N@H+](CCCSCC#N)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599646019 349240151 /nfs/dbraw/zinc/24/01/51/349240151.db2.gz YBRQADPOEQMXGS-AOOOYVTPSA-N 1 0 241.360 0.829 20 30 BCEDRO C=CCCC(=O)NCC1CC[NH+](CCO)CC1 ZINC000160588020 349257341 /nfs/dbraw/zinc/25/73/41/349257341.db2.gz WTGWKKBFICDNLK-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO C[C@H]1CN(c2ncncc2C#N)CC[NH2+]1 ZINC000308982146 349262473 /nfs/dbraw/zinc/26/24/73/349262473.db2.gz SMTNQEUYISBCGL-QMMMGPOBSA-N 1 0 203.249 0.146 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(C#N)CC1 ZINC000599918098 349270773 /nfs/dbraw/zinc/27/07/73/349270773.db2.gz YZFBKJCXVVIPIZ-VHSXEESVSA-N 1 0 236.319 0.730 20 30 BCEDRO N#CCC1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000599939259 349273122 /nfs/dbraw/zinc/27/31/22/349273122.db2.gz UKUMQJRPDAOARG-LLVKDONJSA-N 1 0 236.319 0.684 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000599940018 349273157 /nfs/dbraw/zinc/27/31/57/349273157.db2.gz GUBQILHBGFBODZ-RKDXNWHRSA-N 1 0 210.281 0.149 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000599940670 349273190 /nfs/dbraw/zinc/27/31/90/349273190.db2.gz SHENVQGDLNRRSV-IQJOONFLSA-N 1 0 240.282 0.384 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@](F)(C#N)C1 ZINC000599940671 349273197 /nfs/dbraw/zinc/27/31/97/349273197.db2.gz SHENVQGDLNRRSV-NGZCFLSTSA-N 1 0 240.282 0.384 20 30 BCEDRO CC#CC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000277798928 192412948 /nfs/dbraw/zinc/41/29/48/192412948.db2.gz VLZQFFBUDREZAH-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)C[NH+](C)C)C(=O)OC ZINC000601786405 349343698 /nfs/dbraw/zinc/34/36/98/349343698.db2.gz QDTTYHVEIFQSFV-SECBINFHSA-N 1 0 228.292 0.172 20 30 BCEDRO COCCN1CC[C@@H]([NH2+]C[C@@H](C)C#N)C1 ZINC000309055256 323221304 /nfs/dbraw/zinc/22/13/04/323221304.db2.gz UBVNLSVGLROHMO-WDEREUQCSA-N 1 0 211.309 0.456 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N(CC#N)C2CC2)C1 ZINC000602079929 349430137 /nfs/dbraw/zinc/43/01/37/349430137.db2.gz KFKDAZWSPDQKTP-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO C[NH+](C)CC1(C(=O)N(CC#N)C2CC2)CC1 ZINC000602080195 349430215 /nfs/dbraw/zinc/43/02/15/349430215.db2.gz LDKHVLCNWBQVFO-UHFFFAOYSA-N 1 0 221.304 0.843 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N(CC#N)CC#N)C1 ZINC000602084684 349432739 /nfs/dbraw/zinc/43/27/39/349432739.db2.gz CDXYKZAJYPNRGH-JTQLQIEISA-N 1 0 220.276 0.204 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N(CC#N)CC#N)C1 ZINC000602084691 349432763 /nfs/dbraw/zinc/43/27/63/349432763.db2.gz CDXYKZAJYPNRGH-SNVBAGLBSA-N 1 0 220.276 0.204 20 30 BCEDRO N#CCC1CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000397108701 350092500 /nfs/dbraw/zinc/09/25/00/350092500.db2.gz AVSPWIJFHNIMHI-NSHDSACASA-N 1 0 221.304 0.891 20 30 BCEDRO CC1CCN(C(=[NH2+])NCCn2ccnc2)CC1 ZINC000303364863 350115127 /nfs/dbraw/zinc/11/51/27/350115127.db2.gz FZJAVEVBNYBSOE-UHFFFAOYSA-N 1 0 235.335 0.930 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000677048263 490330760 /nfs/dbraw/zinc/33/07/60/490330760.db2.gz SRQUJJWKMKRQBM-ZDUSSCGKSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCCOCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000132342898 191031275 /nfs/dbraw/zinc/03/12/75/191031275.db2.gz KHLMNUPAWSGQKC-LLVKDONJSA-N 1 0 247.360 0.746 20 30 BCEDRO C=CCCOCC[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000132344040 191031565 /nfs/dbraw/zinc/03/15/65/191031565.db2.gz COCRZRGRVQUHLN-NSHDSACASA-N 1 0 249.376 0.992 20 30 BCEDRO N#CCC1(C[N@H+]2CCC[C@](O)(CO)C2)CC1 ZINC000313643633 350163998 /nfs/dbraw/zinc/16/39/98/350163998.db2.gz SBWAZYUNYPEVOH-GFCCVEGCSA-N 1 0 224.304 0.499 20 30 BCEDRO C=CCCCNC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000637102173 350198613 /nfs/dbraw/zinc/19/86/13/350198613.db2.gz MUHDYOZHBFHFQR-NSHDSACASA-N 1 0 241.335 0.318 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN(C)C[C@H](C)C#N ZINC000309298828 350270097 /nfs/dbraw/zinc/27/00/97/350270097.db2.gz XSAFLVXQQPEXRG-NEPJUHHUSA-N 1 0 227.352 0.779 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1ccnc(N(C)C)n1 ZINC000263157813 535123947 /nfs/dbraw/zinc/12/39/47/535123947.db2.gz NUIPBJWQACAQOW-UHFFFAOYSA-N 1 0 236.323 0.355 20 30 BCEDRO C[C@@H]1C[C@H](Nc2cc(C#N)ncn2)CC[NH2+]1 ZINC000309379592 350361409 /nfs/dbraw/zinc/36/14/09/350361409.db2.gz CSPYJHZZLWLUCN-RKDXNWHRSA-N 1 0 217.276 0.901 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@]1(C#N)CC1(C)C ZINC000427881254 191098177 /nfs/dbraw/zinc/09/81/77/191098177.db2.gz HWIWUHJGRCICBD-GIPNMCIBSA-N 1 0 235.331 0.993 20 30 BCEDRO C=C(Cl)CNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000158243329 191100919 /nfs/dbraw/zinc/10/09/19/191100919.db2.gz FBFXHBLLRWFFBW-QMMMGPOBSA-N 1 0 218.684 0.234 20 30 BCEDRO N#CCCC[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000336679278 350435998 /nfs/dbraw/zinc/43/59/98/350435998.db2.gz PBKZLBISXXVJJG-LLVKDONJSA-N 1 0 221.304 0.987 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000580783827 350438080 /nfs/dbraw/zinc/43/80/80/350438080.db2.gz WRTXCXZMQYHFSX-QWRGUYRKSA-N 1 0 237.303 0.079 20 30 BCEDRO CS[C@@H]1CN(CCC#N)C[C@H]1[NH+](C)C ZINC000336676803 350438535 /nfs/dbraw/zinc/43/85/35/350438535.db2.gz ZTUIPHZIKJHJBZ-NXEZZACHSA-N 1 0 213.350 0.877 20 30 BCEDRO N#CCCCN1CCN(C2CC2)C(=O)C1 ZINC000336646241 350415905 /nfs/dbraw/zinc/41/59/05/350415905.db2.gz JWANCDXXVYOEKT-UHFFFAOYSA-N 1 0 207.277 0.597 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H](CNS(C)(=O)=O)C1 ZINC000336660699 350429114 /nfs/dbraw/zinc/42/91/14/350429114.db2.gz BAHWIQUSQOPMFL-LLVKDONJSA-N 1 0 244.360 0.271 20 30 BCEDRO C=CCC[N@@H+](C)CCNS(=O)(=O)CC ZINC000336692258 350448362 /nfs/dbraw/zinc/44/83/62/350448362.db2.gz QCOSKHODUKJTHZ-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO C=CCN(CCOC)[C@@H]1CCCNC1=O ZINC000336694179 350450238 /nfs/dbraw/zinc/45/02/38/350450238.db2.gz WXRIXHBRAFDIAV-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO CC[N@@H+](C[C@@H](C)C#N)C[C@@H](O)Cn1cccn1 ZINC000336702790 350459263 /nfs/dbraw/zinc/45/92/63/350459263.db2.gz AJKJPJQGQFEONK-NWDGAFQWSA-N 1 0 236.319 0.726 20 30 BCEDRO Cn1nnnc1CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000618571429 350492040 /nfs/dbraw/zinc/49/20/40/350492040.db2.gz PIKIRGBUUJORAV-NXEZZACHSA-N 1 0 234.307 0.425 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[C@H](F)C1 ZINC000577502735 365971922 /nfs/dbraw/zinc/97/19/22/365971922.db2.gz CWKAVVFPJSPGQZ-SDDRHHMPSA-N 1 0 243.326 0.673 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645877 350520817 /nfs/dbraw/zinc/52/08/17/350520817.db2.gz JCYJDPAFUUWIAM-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@H]([N@H+](C)CC(=O)NCC#N)C(C)(C)C ZINC000532927855 323396846 /nfs/dbraw/zinc/39/68/46/323396846.db2.gz UNHONLOKIVHION-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000304213767 350634134 /nfs/dbraw/zinc/63/41/34/350634134.db2.gz ISTBITUNRZAGOF-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@@H](N(C)C2CC[NH2+]CC2)C1=O ZINC000570964475 350668313 /nfs/dbraw/zinc/66/83/13/350668313.db2.gz SOKMJMNCLKKABE-GFCCVEGCSA-N 1 0 237.347 0.457 20 30 BCEDRO C=CCCS(=O)(=O)NCCC[NH2+]C(C)C ZINC000123711633 350670470 /nfs/dbraw/zinc/67/04/70/350670470.db2.gz MZEBNAGQELBXRV-UHFFFAOYSA-N 1 0 234.365 0.870 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CCC[C@H](C(=O)NC)C1 ZINC000304219817 350710668 /nfs/dbraw/zinc/71/06/68/350710668.db2.gz LNHSDCCNIMJORX-UWVGGRQHSA-N 1 0 240.303 0.172 20 30 BCEDRO CC#CCN(C)CC(=O)N(C)CC1CC1 ZINC000339754243 350818929 /nfs/dbraw/zinc/81/89/29/350818929.db2.gz OFUBLDGOHFXFOD-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617342938 350772779 /nfs/dbraw/zinc/77/27/79/350772779.db2.gz ITSYMXDYOZECIG-NXEZZACHSA-N 1 0 226.320 0.522 20 30 BCEDRO C=C1CC[NH+](C[C@@H](O)CC(=O)OCC)CC1 ZINC000382478789 350844663 /nfs/dbraw/zinc/84/46/63/350844663.db2.gz LWIAYUABBNWGLJ-NSHDSACASA-N 1 0 227.304 0.953 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H](C)[NH2+]C ZINC000282885699 350862406 /nfs/dbraw/zinc/86/24/06/350862406.db2.gz BHXMKIPOVGSCOS-JTQLQIEISA-N 1 0 214.309 0.693 20 30 BCEDRO CC(=O)N1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000336681346 350904635 /nfs/dbraw/zinc/90/46/35/350904635.db2.gz RMXDYAHKDFILPC-WOPDTQHZSA-N 1 0 221.304 0.889 20 30 BCEDRO C#CC[NH2+][C@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000292380967 350959030 /nfs/dbraw/zinc/95/90/30/350959030.db2.gz ZEKRTAKJNXCYCP-JQWIXIFHSA-N 1 0 216.284 0.867 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC1([NH+](C)C)CC1 ZINC000397891346 350986910 /nfs/dbraw/zinc/98/69/10/350986910.db2.gz MMAKLAWPULPGGH-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCNC(=O)CN[C@](C)(C[NH3+])C(C)C ZINC000336691700 350991589 /nfs/dbraw/zinc/99/15/89/350991589.db2.gz WYEQMQBYHMTVLB-LLVKDONJSA-N 1 0 213.325 0.252 20 30 BCEDRO CCN(CC#N)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336693238 351006988 /nfs/dbraw/zinc/00/69/88/351006988.db2.gz NIFLHYBARIZYLW-LLVKDONJSA-N 1 0 211.309 0.287 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCC(O)CC1 ZINC000052660143 351037618 /nfs/dbraw/zinc/03/76/18/351037618.db2.gz AMUKRBJYUWURDE-SNVBAGLBSA-N 1 0 239.319 0.204 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cccc2nccn21 ZINC000289937653 351011342 /nfs/dbraw/zinc/01/13/42/351011342.db2.gz UDHGGHZRRWELIZ-SNVBAGLBSA-N 1 0 217.272 0.971 20 30 BCEDRO C=CC1CC[NH+](CCCS(=O)(=O)NC)CC1 ZINC000111256277 191130375 /nfs/dbraw/zinc/13/03/75/191130375.db2.gz VASFOAOCECRJKY-UHFFFAOYSA-N 1 0 246.376 0.824 20 30 BCEDRO C[C@@H](C[NH3+])N(C)C(=O)c1cccc(C#N)c1 ZINC000382998907 351162808 /nfs/dbraw/zinc/16/28/08/351162808.db2.gz OGZQYXXQPFGYNX-VIFPVBQESA-N 1 0 217.272 0.977 20 30 BCEDRO C#CCN1CCN(C2C[C@H]3CC[C@@H](C2)[N@H+]3C)CC1 ZINC000119498108 358461771 /nfs/dbraw/zinc/46/17/71/358461771.db2.gz URQPZWSQJZKZRB-YIONKMFJSA-N 1 0 247.386 0.862 20 30 BCEDRO N#Cc1ccnc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000231899763 351438870 /nfs/dbraw/zinc/43/88/70/351438870.db2.gz CJXFMSSJKXCMLN-JTQLQIEISA-N 1 0 229.287 0.997 20 30 BCEDRO C[NH+](C)C[C@@H]1CCCN1c1nccc(C#N)n1 ZINC000231900811 351452467 /nfs/dbraw/zinc/45/24/67/351452467.db2.gz BRXAYIKAZGBXNA-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO Cc1nc(C(=O)N2CC[C@@H]([NH3+])C2)ccc1C#N ZINC000577740622 366049499 /nfs/dbraw/zinc/04/94/99/366049499.db2.gz GOUVULSWUSZDIN-SNVBAGLBSA-N 1 0 230.271 0.435 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)NCC[NH+]1CCCCC1 ZINC000088477222 351805075 /nfs/dbraw/zinc/80/50/75/351805075.db2.gz AQVSITOSAJFXMY-SNVBAGLBSA-N 1 0 245.348 0.304 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCN1CC=CCC1 ZINC000279936040 351829794 /nfs/dbraw/zinc/82/97/94/351829794.db2.gz GOLOUDWROZPUDH-NSHDSACASA-N 1 0 224.352 0.951 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(NC)=[NH+]C ZINC000280656151 351854978 /nfs/dbraw/zinc/85/49/78/351854978.db2.gz WWYOBUCVNJBVSZ-ZJUUUORDSA-N 1 0 211.309 0.762 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000280356974 351840482 /nfs/dbraw/zinc/84/04/82/351840482.db2.gz VBSHRVUIZYHXRK-ONGXEEELSA-N 1 0 206.289 0.751 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@@H](C)CC[NH3+] ZINC000336733774 351881629 /nfs/dbraw/zinc/88/16/29/351881629.db2.gz GVDJVHSYJBFRTK-UWVGGRQHSA-N 1 0 214.309 0.821 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638004046 351882646 /nfs/dbraw/zinc/88/26/46/351882646.db2.gz WGBRTFFVZFHDRQ-NGZCFLSTSA-N 1 0 212.293 0.444 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638002111 351878276 /nfs/dbraw/zinc/87/82/76/351878276.db2.gz HSPJJDCBNTYTCC-SSDOTTSWSA-N 1 0 206.249 0.240 20 30 BCEDRO CCC[N@H+](CCCC#N)[C@@H]1CC(=O)N(C)C1=O ZINC000282583783 351937248 /nfs/dbraw/zinc/93/72/48/351937248.db2.gz WFWYPAUOCKRYHJ-SNVBAGLBSA-N 1 0 237.303 0.759 20 30 BCEDRO N#CC1(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)CCC1 ZINC000083798268 351945025 /nfs/dbraw/zinc/94/50/25/351945025.db2.gz FKRPEPCDORADTD-LLVKDONJSA-N 1 0 233.315 0.987 20 30 BCEDRO C=CC[C@@H](C)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638011113 351887737 /nfs/dbraw/zinc/88/77/37/351887737.db2.gz UTWOLYXAXMKWOF-MRVPVSSYSA-N 1 0 220.276 0.630 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638009798 351888315 /nfs/dbraw/zinc/88/83/15/351888315.db2.gz OEFBNFFALJKJRW-MWLCHTKSSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCCC[N@@H+](C)Cc1cnc(N)nc1N ZINC000638097410 351977969 /nfs/dbraw/zinc/97/79/69/351977969.db2.gz DULAJIYHEHZLLU-UHFFFAOYSA-N 1 0 221.308 0.700 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCc2cnn(C)c2)N1 ZINC000285085973 352021409 /nfs/dbraw/zinc/02/14/09/352021409.db2.gz NPDFFUDPIJVHMD-SECBINFHSA-N 1 0 221.308 0.290 20 30 BCEDRO COc1cccc(CNC2=[NH+]CCN2C)c1O ZINC000285086041 352021431 /nfs/dbraw/zinc/02/14/31/352021431.db2.gz NQQNNUCXMWOJFS-UHFFFAOYSA-N 1 0 235.287 0.792 20 30 BCEDRO C=CCN(C)C(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638220854 352080271 /nfs/dbraw/zinc/08/02/71/352080271.db2.gz BHNDCXYBOVJEOR-KOLCDFICSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCN(C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638223692 352083111 /nfs/dbraw/zinc/08/31/11/352083111.db2.gz YNTNNPNHWYBSCN-NSHDSACASA-N 1 0 212.293 0.386 20 30 BCEDRO [NH2+]=C(NC[C@H](O)Cc1ccccc1)NC1CC1 ZINC000286798664 352104789 /nfs/dbraw/zinc/10/47/89/352104789.db2.gz KHEGCAMFPHYUFP-GFCCVEGCSA-N 1 0 233.315 0.657 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CC(=O)N1CCOCC1 ZINC000618887998 352162979 /nfs/dbraw/zinc/16/29/79/352162979.db2.gz OCXOEDVYXNYQHD-NSHDSACASA-N 1 0 239.319 0.375 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@@H]2CCS(=O)(=O)C2)cc1 ZINC000289117730 352172162 /nfs/dbraw/zinc/17/21/62/352172162.db2.gz NLCDKGPCWIEEOQ-CYBMUJFWSA-N 1 0 249.335 0.945 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)[NH2+]CC ZINC000638362015 352174693 /nfs/dbraw/zinc/17/46/93/352174693.db2.gz AABLUWHEXIXKTM-VWYCJHECSA-N 1 0 226.320 0.692 20 30 BCEDRO CCCCC(N)=NOCc1cnnn1C ZINC000289378893 352183135 /nfs/dbraw/zinc/18/31/35/352183135.db2.gz KYPIQSSHVUZQQQ-UHFFFAOYSA-N 1 0 211.269 0.794 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627011415 363112832 /nfs/dbraw/zinc/11/28/32/363112832.db2.gz ADBKRIPJKZEYAE-WDEREUQCSA-N 1 0 241.335 0.629 20 30 BCEDRO C=CCCCCNC(=O)N(C)CCOCC[NH3+] ZINC000627014424 363113850 /nfs/dbraw/zinc/11/38/50/363113850.db2.gz BBHQJHXVHCBPNN-UHFFFAOYSA-N 1 0 243.351 0.959 20 30 BCEDRO C=CCOCCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638427100 352234796 /nfs/dbraw/zinc/23/47/96/352234796.db2.gz YGAYGAHXXLRDCL-JQWIXIFHSA-N 1 0 242.319 0.072 20 30 BCEDRO CCc1nnc(CNC(=[NH2+])NCCOC)s1 ZINC000290751424 352239440 /nfs/dbraw/zinc/23/94/40/352239440.db2.gz YGSYDHCGKBVUNA-UHFFFAOYSA-N 1 0 243.336 0.151 20 30 BCEDRO C=CCCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638405190 352212128 /nfs/dbraw/zinc/21/21/28/352212128.db2.gz APLJHXYAAPEQTL-MWLCHTKSSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638405188 352212141 /nfs/dbraw/zinc/21/21/41/352212141.db2.gz APLJHXYAAPEQTL-GXSJLCMTSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CC[C@@H]1CCCN(C(=O)[C@H]2OCC[C@H]2[NH3+])C1 ZINC000638409209 352218876 /nfs/dbraw/zinc/21/88/76/352218876.db2.gz NFDRYEIRQHIJHK-UTUOFQBUSA-N 1 0 238.331 0.917 20 30 BCEDRO CCNC(=[NH2+])NCc1csc(COC)n1 ZINC000290457300 352225929 /nfs/dbraw/zinc/22/59/29/352225929.db2.gz DCQVTZNYYDTGGE-UHFFFAOYSA-N 1 0 228.321 0.714 20 30 BCEDRO C=CC(C)(C)CCNC(=O)[C@@H](N)CC[NH+](C)C ZINC000638454885 352264240 /nfs/dbraw/zinc/26/42/40/352264240.db2.gz NDHUAAMQUFHUAA-NSHDSACASA-N 1 0 241.379 0.984 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCCN(C)CC1 ZINC000411148304 191165337 /nfs/dbraw/zinc/16/53/37/191165337.db2.gz LBPQKNMJFDHWPN-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C=C(CC)CNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627055312 363173276 /nfs/dbraw/zinc/17/32/76/363173276.db2.gz LGYJGWGHQOWXLQ-UHFFFAOYSA-N 1 0 241.335 0.760 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000638471617 352280589 /nfs/dbraw/zinc/28/05/89/352280589.db2.gz JYMZDLBHJZPSBQ-WYUUTHIRSA-N 1 0 220.316 0.876 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)c2cnc(C[NH3+])nc2)C1 ZINC000638474509 352284193 /nfs/dbraw/zinc/28/41/93/352284193.db2.gz NOUSTCADOSAEME-SNVBAGLBSA-N 1 0 246.314 0.974 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@H]2CCSC2)n1 ZINC000336721399 187652415 /nfs/dbraw/zinc/65/24/15/187652415.db2.gz DJSYRBLTGIUUES-QMMMGPOBSA-N 1 0 223.305 0.245 20 30 BCEDRO C=CCOCCCC(=O)N(CC)CC[NH3+] ZINC000638520441 352352972 /nfs/dbraw/zinc/35/29/72/352352972.db2.gz ZPDPGYYUJHHKLL-UHFFFAOYSA-N 1 0 214.309 0.776 20 30 BCEDRO C=CCCC(=O)NCC1([NH3+])CCOCC1 ZINC000638539713 352371300 /nfs/dbraw/zinc/37/13/00/352371300.db2.gz TUNJWSHRQNINMW-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO C=CCN(C)CC[N@@H+](CC)C[C@H]1COCCO1 ZINC000411652206 191201482 /nfs/dbraw/zinc/20/14/82/191201482.db2.gz WRIQBRNLTSTYCO-ZDUSSCGKSA-N 1 0 242.363 0.842 20 30 BCEDRO C=CCN(C)CC[N@@H+](CC)CCC(=O)N(C)C ZINC000411643698 191202794 /nfs/dbraw/zinc/20/27/94/191202794.db2.gz PRFQTAJRWUHTCF-UHFFFAOYSA-N 1 0 241.379 0.904 20 30 BCEDRO N#CC1(CC[NH+]2C[C@@H](O)[C@H](O)C2)CCCCC1 ZINC000411642921 191202999 /nfs/dbraw/zinc/20/29/99/191202999.db2.gz ZGRIOBPRZLHGDC-VXGBXAGGSA-N 1 0 238.331 0.888 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)Cc1nnn(C)n1 ZINC000411642098 191203232 /nfs/dbraw/zinc/20/32/32/191203232.db2.gz GSLALACPVDKYTH-UHFFFAOYSA-N 1 0 238.339 0.150 20 30 BCEDRO CC[C@@H](C#N)C(=O)N[C@H](C)CN1CCOCC1 ZINC000044825533 352442346 /nfs/dbraw/zinc/44/23/46/352442346.db2.gz AOUJYSMZYCDANC-MNOVXSKESA-N 1 0 239.319 0.373 20 30 BCEDRO CC[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044828222 352443863 /nfs/dbraw/zinc/44/38/63/352443863.db2.gz DFSYJRZFMCCFOT-UWVGGRQHSA-N 1 0 221.304 0.889 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638613330 352452676 /nfs/dbraw/zinc/45/26/76/352452676.db2.gz IBDRWQVTAXDTRZ-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NCC ZINC000411786328 191211890 /nfs/dbraw/zinc/21/18/90/191211890.db2.gz JYSZDKPEDSYRPQ-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C)[NH2+]C2)nn1 ZINC000638653852 352496648 /nfs/dbraw/zinc/49/66/48/352496648.db2.gz ZNJLKEGEEJMTBN-ZJUUUORDSA-N 1 0 249.318 0.334 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](O)C[C@H]1COC ZINC000411914133 191226421 /nfs/dbraw/zinc/22/64/21/191226421.db2.gz SOLZZCRLJRYHKT-TUAOUCFPSA-N 1 0 229.320 0.395 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411932866 191231367 /nfs/dbraw/zinc/23/13/67/191231367.db2.gz AHSBKEIJIIBPHX-RYUDHWBXSA-N 1 0 240.347 0.724 20 30 BCEDRO C=CCCC[N@@H+]1CC[C@H]2OCC(=O)N[C@@H]2C1 ZINC000366795689 352932468 /nfs/dbraw/zinc/93/24/68/352932468.db2.gz IFHUNUVRLSKHDJ-GHMZBOCLSA-N 1 0 224.304 0.542 20 30 BCEDRO CNC(=O)CC[NH2+]Cc1ccc(C#N)s1 ZINC000135497917 187911541 /nfs/dbraw/zinc/91/15/41/187911541.db2.gz NXUFYSSVPNQGQQ-UHFFFAOYSA-N 1 0 223.301 0.845 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@H](CC(C)C)OC ZINC000638847151 353026929 /nfs/dbraw/zinc/02/69/29/353026929.db2.gz MGEOPNIOCYBFBS-NSHDSACASA-N 1 0 228.336 0.939 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1CC(n2cccn2)C1 ZINC000638846950 353027140 /nfs/dbraw/zinc/02/71/40/353027140.db2.gz JPDKDCBKCKRQIN-UHFFFAOYSA-N 1 0 234.303 0.478 20 30 BCEDRO C=CCNC(=O)C[NH2+]CCC[C@H]1CCO1 ZINC000638848104 353027654 /nfs/dbraw/zinc/02/76/54/353027654.db2.gz ZWCWBPYCLIENCC-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCC(C#N)CC1 ZINC000334375735 353032278 /nfs/dbraw/zinc/03/22/78/353032278.db2.gz VADRGESFWXWFKW-JTQLQIEISA-N 1 0 238.335 0.882 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000159377213 166364749 /nfs/dbraw/zinc/36/47/49/166364749.db2.gz NUJBBCYBKPIQPC-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638831321 353011218 /nfs/dbraw/zinc/01/12/18/353011218.db2.gz YLOYUFMPUVHJES-NEPJUHHUSA-N 1 0 229.320 0.566 20 30 BCEDRO CCCNC(=O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336752316 353071556 /nfs/dbraw/zinc/07/15/56/353071556.db2.gz GDWFQMUTFQPGMS-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000638922297 353080061 /nfs/dbraw/zinc/08/00/61/353080061.db2.gz COXQZSAHHOCYAT-PHIMTYICSA-N 1 0 224.304 0.542 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638934674 353096830 /nfs/dbraw/zinc/09/68/30/353096830.db2.gz ABZPFGWSANSFBZ-ZJUUUORDSA-N 1 0 212.293 0.527 20 30 BCEDRO C=CC[NH+](CC=C)CCC(=O)NC(N)=O ZINC000073869748 353126011 /nfs/dbraw/zinc/12/60/11/353126011.db2.gz KRNFHSWHXFJVQC-UHFFFAOYSA-N 1 0 211.265 0.245 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000398672526 353127771 /nfs/dbraw/zinc/12/77/71/353127771.db2.gz MIIVLUTVOLEGSN-VIFPVBQESA-N 1 0 207.277 0.310 20 30 BCEDRO C[NH+]1CC2(C1)CCN(C(=O)C(C)(C)C#N)C2 ZINC000398704506 353131615 /nfs/dbraw/zinc/13/16/15/353131615.db2.gz UVMRXMNQUFBTKP-UHFFFAOYSA-N 1 0 221.304 0.700 20 30 BCEDRO COCC[C@H](CO)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336754480 353137781 /nfs/dbraw/zinc/13/77/81/353137781.db2.gz HKGHCOGBFZSHFU-GMTAPVOTSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCNC(=O)CN1CC[NH2+]C[C@H]1CCC ZINC000359057913 166366975 /nfs/dbraw/zinc/36/69/75/166366975.db2.gz OCWZTIAEGJFUJS-LLVKDONJSA-N 1 0 225.336 0.363 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189262373 166368816 /nfs/dbraw/zinc/36/88/16/166368816.db2.gz LFUDBXKZCFCWOT-MNOVXSKESA-N 1 0 226.320 0.645 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@@H]1COCCN1C ZINC000623746992 353157785 /nfs/dbraw/zinc/15/77/85/353157785.db2.gz PCHGTLQIPRXAPX-VHSXEESVSA-N 1 0 227.308 0.191 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000336760257 353171321 /nfs/dbraw/zinc/17/13/21/353171321.db2.gz MCJQESIHSLUBKM-SDDRHHMPSA-N 1 0 212.337 0.711 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000638969000 353177141 /nfs/dbraw/zinc/17/71/41/353177141.db2.gz LMNJUPNYKQAIJB-RYUDHWBXSA-N 1 0 229.320 0.830 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H]1CN(CC)C[C@@H]1C ZINC000336758400 353166486 /nfs/dbraw/zinc/16/64/86/353166486.db2.gz JTVGCCQOHBQTHD-TUAOUCFPSA-N 1 0 212.337 0.853 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000330822791 353183628 /nfs/dbraw/zinc/18/36/28/353183628.db2.gz PRSYBTWNVTWCAZ-AAEUAGOBSA-N 1 0 240.347 0.914 20 30 BCEDRO CCOC(=O)[C@](C)(O)C[NH+]1CCC(C#N)CC1 ZINC000330902424 353197739 /nfs/dbraw/zinc/19/77/39/353197739.db2.gz BSEPWSXXZPSXJO-GFCCVEGCSA-N 1 0 240.303 0.536 20 30 BCEDRO C[C@H]1CC[C@H]([N@H+](CCO)CC(=O)NCC#N)C1 ZINC000330867237 353188834 /nfs/dbraw/zinc/18/88/34/353188834.db2.gz VOUGPEZJXSFFAW-QWRGUYRKSA-N 1 0 239.319 0.109 20 30 BCEDRO C[N@@H+](CC(=O)NCC#N)C[C@H]1CC=CCC1 ZINC000330846911 353193292 /nfs/dbraw/zinc/19/32/92/353193292.db2.gz OHSWKCNNDQEZKA-NSHDSACASA-N 1 0 221.304 0.914 20 30 BCEDRO CCN(CCCO)C(=O)NC1CC[NH+](C)CC1 ZINC000330942045 353202436 /nfs/dbraw/zinc/20/24/36/353202436.db2.gz ZLHUDKYXQBXHPY-UHFFFAOYSA-N 1 0 243.351 0.699 20 30 BCEDRO CNC(=O)NC(=O)[C@@H](C)N(C)Cc1ccoc1 ZINC000330957871 353203699 /nfs/dbraw/zinc/20/36/99/353203699.db2.gz WFEKXHYHXYGPGE-MRVPVSSYSA-N 1 0 239.275 0.760 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000330958957 353204743 /nfs/dbraw/zinc/20/47/43/353204743.db2.gz WYDNKXUYJYDTED-JTQLQIEISA-N 1 0 224.308 0.888 20 30 BCEDRO C[C@@H]1C[NH+](CCCNC(=O)CC#N)C[C@@H](C)O1 ZINC000330915551 353206129 /nfs/dbraw/zinc/20/61/29/353206129.db2.gz ZBXGQLLTVUACDY-GHMZBOCLSA-N 1 0 239.319 0.516 20 30 BCEDRO CC(=O)NCCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336762389 353206293 /nfs/dbraw/zinc/20/62/93/353206293.db2.gz OCMHZXAAEXYOOT-MNOVXSKESA-N 1 0 209.293 0.794 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H](C)CN1CCOCC1 ZINC000330933275 353207282 /nfs/dbraw/zinc/20/72/82/353207282.db2.gz CDDFMDAXGSJMOC-QWRGUYRKSA-N 1 0 241.335 0.785 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC[NH+]1CCCCC1 ZINC000330975925 353208626 /nfs/dbraw/zinc/20/86/26/353208626.db2.gz TZIWDTNNYZPTNG-ZDUSSCGKSA-N 1 0 240.347 0.916 20 30 BCEDRO C[NH+](C)CCN(C[C@@H]1CCCO1)C(=O)CC#N ZINC000331042601 353213146 /nfs/dbraw/zinc/21/31/46/353213146.db2.gz DDWXNRPPDZVQQM-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000331145965 353222460 /nfs/dbraw/zinc/22/24/60/353222460.db2.gz MHEHYZHTWJYTSM-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C[N@H+](CC(C)(CO)CO)[C@H]1CC[C@H](C#N)C1 ZINC000331162610 353224247 /nfs/dbraw/zinc/22/42/47/353224247.db2.gz FSRGKXTYVOKLFP-QWRGUYRKSA-N 1 0 226.320 0.601 20 30 BCEDRO C[N@H+](CC(C)(CO)CO)[C@@H]1CC[C@@H](C#N)C1 ZINC000331162607 353224396 /nfs/dbraw/zinc/22/43/96/353224396.db2.gz FSRGKXTYVOKLFP-GHMZBOCLSA-N 1 0 226.320 0.601 20 30 BCEDRO Cc1nnccc1NC(=O)NCC[NH+](C)C ZINC000331171552 353225125 /nfs/dbraw/zinc/22/51/25/353225125.db2.gz OFDAGJLQEMCJKX-UHFFFAOYSA-N 1 0 223.280 0.673 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000070074595 353253188 /nfs/dbraw/zinc/25/31/88/353253188.db2.gz IKQMQAXXVAYIAR-WOPDTQHZSA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000070074593 353253437 /nfs/dbraw/zinc/25/34/37/353253437.db2.gz IKQMQAXXVAYIAR-GRYCIOLGSA-N 1 0 239.363 0.736 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000627073045 363210018 /nfs/dbraw/zinc/21/00/18/363210018.db2.gz FUXSPTLGZIZVEJ-MNOVXSKESA-N 1 0 223.320 0.956 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188591076 353257774 /nfs/dbraw/zinc/25/77/74/353257774.db2.gz NZWGBSFJJMEGOK-XHNCKOQMSA-N 1 0 200.257 0.767 20 30 BCEDRO C=C(C)C[N@@H+](C)CC(=O)N1CCOCC1 ZINC000071080983 353262794 /nfs/dbraw/zinc/26/27/94/353262794.db2.gz LYNLMLDWXLVKQG-UHFFFAOYSA-N 1 0 212.293 0.353 20 30 BCEDRO C#CCSCCNC(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000188913966 353269180 /nfs/dbraw/zinc/26/91/80/353269180.db2.gz NMFNAERRBXLDCS-DTWKUNHWSA-N 1 0 230.308 0.169 20 30 BCEDRO CC(C)[C@@H](C(=O)N[C@H](C)CC#N)[NH+](C)C ZINC000127942445 353280275 /nfs/dbraw/zinc/28/02/75/353280275.db2.gz MFBJKRKHJUGBHO-ZJUUUORDSA-N 1 0 211.309 0.991 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251546686 353282023 /nfs/dbraw/zinc/28/20/23/353282023.db2.gz LIVUOMWCFYMWFG-UTUOFQBUSA-N 1 0 237.347 0.503 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000289988240 353286946 /nfs/dbraw/zinc/28/69/46/353286946.db2.gz XJYUOXMGDFHIPW-MRVPVSSYSA-N 1 0 226.301 0.484 20 30 BCEDRO C=C(C)C[NH+]1CCC(NCc2cnnn2C)CC1 ZINC000267519605 188261068 /nfs/dbraw/zinc/26/10/68/188261068.db2.gz NHIQQKUZTONYNJ-UHFFFAOYSA-N 1 0 249.362 0.945 20 30 BCEDRO CC#CC[NH+]1CCC(CCC(N)=O)CC1 ZINC000270995278 188262783 /nfs/dbraw/zinc/26/27/83/188262783.db2.gz BTTBVJSFIGQKIP-UHFFFAOYSA-N 1 0 208.305 0.987 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000273529592 188263793 /nfs/dbraw/zinc/26/37/93/188263793.db2.gz VZUXOGKJRZCOAM-MNOVXSKESA-N 1 0 228.336 0.626 20 30 BCEDRO CC#CC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000277798931 188266767 /nfs/dbraw/zinc/26/67/67/188266767.db2.gz VLZQFFBUDREZAH-MNOVXSKESA-N 1 0 208.305 0.999 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC[N@@H+](CC)C1CC1 ZINC000343277747 353310739 /nfs/dbraw/zinc/31/07/39/353310739.db2.gz YDYOFAZCEQNFSV-CYBMUJFWSA-N 1 0 240.347 0.914 20 30 BCEDRO CCNC(=O)[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336770272 353300673 /nfs/dbraw/zinc/30/06/73/353300673.db2.gz VNXWQDJXABQBLJ-AEJSXWLSSA-N 1 0 209.293 0.793 20 30 BCEDRO CNC(=O)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000044987976 188297296 /nfs/dbraw/zinc/29/72/96/188297296.db2.gz BOFZGSCYISXBQP-UHFFFAOYSA-N 1 0 217.272 0.784 20 30 BCEDRO C#CCSCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000130086777 353338548 /nfs/dbraw/zinc/33/85/48/353338548.db2.gz YEQNHHNQAATWDB-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](OC)C1 ZINC000076347429 353333936 /nfs/dbraw/zinc/33/39/36/353333936.db2.gz AIBGINGLJWCJPY-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCNC(=O)[C@]1([NH3+])C[C@H](OCC)C1(C)C ZINC000162522246 353327264 /nfs/dbraw/zinc/32/72/64/353327264.db2.gz VVRRKZVHLNNRQI-JOYOIKCWSA-N 1 0 226.320 0.821 20 30 BCEDRO C=CCCC[N@@H+](C)CC(=O)N1CCNC1=O ZINC000076735566 353340708 /nfs/dbraw/zinc/34/07/08/353340708.db2.gz OUBPVQSAKCAUJL-UHFFFAOYSA-N 1 0 225.292 0.436 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000158236181 188331617 /nfs/dbraw/zinc/33/16/17/188331617.db2.gz CIMZSYKFLQHXSN-HTQZYQBOSA-N 1 0 202.685 0.983 20 30 BCEDRO C=C(Cl)CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000158238423 188331755 /nfs/dbraw/zinc/33/17/55/188331755.db2.gz QFOYCDXDVNZFNN-SECBINFHSA-N 1 0 202.685 0.855 20 30 BCEDRO C=CCN(C(=O)C[C@@H]1C[NH2+]CCO1)C1CC1 ZINC000131311249 353372784 /nfs/dbraw/zinc/37/27/84/353372784.db2.gz GUGCWKAFMCEWDG-LLVKDONJSA-N 1 0 224.304 0.542 20 30 BCEDRO N#Cc1cccc(C[N@H+]2C[C@@H](O)C[C@H]2CO)c1 ZINC000186508996 188347823 /nfs/dbraw/zinc/34/78/23/188347823.db2.gz BTIJTDIBSMYGPQ-STQMWFEESA-N 1 0 232.283 0.486 20 30 BCEDRO N#Cc1ncn(CC[C@@H]2CCC[NH2+]C2)n1 ZINC000061842218 188360773 /nfs/dbraw/zinc/36/07/73/188360773.db2.gz RATGHXTVPIRWDX-VIFPVBQESA-N 1 0 205.265 0.539 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)c1cc(C#N)cn1C ZINC000081758737 353413757 /nfs/dbraw/zinc/41/37/57/353413757.db2.gz LKXFHVISAPEOOM-SNVBAGLBSA-N 1 0 248.330 0.967 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CC)[C@H]1CCNC1=O ZINC000281571495 353443456 /nfs/dbraw/zinc/44/34/56/353443456.db2.gz DIQWBEVVORYFGE-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)c2cnn(C)c2)C1=O ZINC000281395104 353445632 /nfs/dbraw/zinc/44/56/32/353445632.db2.gz PZFQPRGYALJRDT-ZYHUDNBSSA-N 1 0 248.330 0.858 20 30 BCEDRO N#Cc1ccccc1CN1CC[C@@H](CO)[C@H](O)C1 ZINC000563746086 353450569 /nfs/dbraw/zinc/45/05/69/353450569.db2.gz AOHLVXPJGWOROT-UONOGXRCSA-N 1 0 246.310 0.733 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCCF)CC1 ZINC000281896685 353455977 /nfs/dbraw/zinc/45/59/77/353455977.db2.gz UTDJVMWROOADJN-UHFFFAOYSA-N 1 0 212.268 0.417 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)COC)C1=O ZINC000281895638 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181102273 /nfs/dbraw/zinc/10/22/73/181102273.db2.gz WVOMWFBHQNOWAK-UHFFFAOYSA-N 1 0 234.299 0.735 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCN2CCC2)o1 ZINC000308857027 181107812 /nfs/dbraw/zinc/10/78/12/181107812.db2.gz RVSRWGSCYPXNRZ-UHFFFAOYSA-N 1 0 205.261 0.947 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](CO)C2)o1 ZINC000092763686 181105428 /nfs/dbraw/zinc/10/54/28/181105428.db2.gz LKCWXHADLBLIHA-SECBINFHSA-N 1 0 206.245 0.965 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)o1 ZINC000279439857 181106043 /nfs/dbraw/zinc/10/60/43/181106043.db2.gz OYYCEKGCIXWVEB-CYBMUJFWSA-N 1 0 245.282 0.863 20 30 BCEDRO N#Cc1ccc(N2CC[NH+]3CCC2CC3)nn1 ZINC000302748471 181115316 /nfs/dbraw/zinc/11/53/16/181115316.db2.gz GCYQUBABZTWVBZ-UHFFFAOYSA-N 1 0 229.287 0.633 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)CSCC#N ZINC000332519018 134005610 /nfs/dbraw/zinc/00/56/10/134005610.db2.gz QUBQUNGLFUTVNU-QMMMGPOBSA-N 1 0 215.322 0.309 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000334685268 354431798 /nfs/dbraw/zinc/43/17/98/354431798.db2.gz JJZAMPWWDYMECR-WCQYABFASA-N 1 0 240.347 0.866 20 30 BCEDRO N#Cc1ccc(O[C@@H]2CC[N@@H+](CCO)C2)nc1 ZINC000292054250 181129035 /nfs/dbraw/zinc/12/90/35/181129035.db2.gz BNCMKLBQVDNHCU-LLVKDONJSA-N 1 0 233.271 0.399 20 30 BCEDRO CC[C@@H](C(=O)N1CCSC[C@@H]1C#N)[NH+](C)C ZINC000334651459 354444268 /nfs/dbraw/zinc/44/42/68/354444268.db2.gz DKBPYDAPZPUHTR-UWVGGRQHSA-N 1 0 241.360 0.794 20 30 BCEDRO CC[C@@H](C(=O)N1CCSC[C@H]1C#N)[NH+](C)C ZINC000334651462 354444672 /nfs/dbraw/zinc/44/46/72/354444672.db2.gz DKBPYDAPZPUHTR-ZJUUUORDSA-N 1 0 241.360 0.794 20 30 BCEDRO C=CCNC(=O)CN1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000351928805 134009625 /nfs/dbraw/zinc/00/96/25/134009625.db2.gz WFJWQXVUGNQCEK-QWRGUYRKSA-N 1 0 225.336 0.313 20 30 BCEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@H](O)C2)cc1 ZINC000061710379 181129638 /nfs/dbraw/zinc/12/96/38/181129638.db2.gz JIBKTBQVYMUVGI-QWHCGFSZSA-N 1 0 232.283 0.658 20 30 BCEDRO C=C(C)CNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000334692394 354482556 /nfs/dbraw/zinc/48/25/56/354482556.db2.gz WURONZBGMNGJSY-MNOVXSKESA-N 1 0 223.320 0.908 20 30 BCEDRO N#Cc1cccc(NC(=O)CN2CC[NH2+]CC2)c1 ZINC000019976840 181140215 /nfs/dbraw/zinc/14/02/15/181140215.db2.gz NYXYRPFJLLZRSD-UHFFFAOYSA-N 1 0 244.298 0.402 20 30 BCEDRO C=CC[NH2+]C1(CC(=O)OC)CCOCC1 ZINC000154504526 166396973 /nfs/dbraw/zinc/39/69/73/166396973.db2.gz VKDBPZVXOTUPPG-UHFFFAOYSA-N 1 0 213.277 0.874 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)CC[NH+]1CCCC1 ZINC000301051152 363395653 /nfs/dbraw/zinc/39/56/53/363395653.db2.gz UAJXZWQFWOCTDN-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000346311153 354892931 /nfs/dbraw/zinc/89/29/31/354892931.db2.gz LCRMGISQUQGUNX-YPMHNXCESA-N 1 0 240.347 0.866 20 30 BCEDRO N#Cc1ccnc(NC[C@H]2CCC[NH2+]2)n1 ZINC000231942355 181157733 /nfs/dbraw/zinc/15/77/33/181157733.db2.gz CDWVEAAOZFREMV-SECBINFHSA-N 1 0 203.249 0.512 20 30 BCEDRO CC1(C#N)CC[NH+](CCN2CCOCC2)CC1 ZINC000227351485 535275520 /nfs/dbraw/zinc/27/55/20/535275520.db2.gz BSKXMENMSANXQA-UHFFFAOYSA-N 1 0 237.347 0.944 20 30 BCEDRO CC1(C#N)CC[NH+](CCN2CCNC2=O)CC1 ZINC000226318496 535276049 /nfs/dbraw/zinc/27/60/49/535276049.db2.gz MKKMGHYTWUZHNX-UHFFFAOYSA-N 1 0 236.319 0.637 20 30 BCEDRO N#Cc1cnc(N[C@H]2CCC[NH2+]C2)cn1 ZINC000070581547 181162899 /nfs/dbraw/zinc/16/28/99/181162899.db2.gz YNFIIGVMFQFSCO-QMMMGPOBSA-N 1 0 203.249 0.512 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000346582084 355000805 /nfs/dbraw/zinc/00/08/05/355000805.db2.gz JKWHDNADURQWKX-GHMZBOCLSA-N 1 0 226.320 0.632 20 30 BCEDRO N#Cc1nccnc1N[C@H]1CCC[NH2+]C1 ZINC000070950382 181175023 /nfs/dbraw/zinc/17/50/23/181175023.db2.gz PRDAXLDZWKTJBM-QMMMGPOBSA-N 1 0 203.249 0.512 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1ncnn1C ZINC000639232564 355215351 /nfs/dbraw/zinc/21/53/51/355215351.db2.gz LLAKFFVGYKKGTB-ZJUUUORDSA-N 1 0 222.292 0.638 20 30 BCEDRO [NH2+]=C(NC1CC1)N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000190086694 181182300 /nfs/dbraw/zinc/18/23/00/181182300.db2.gz VKFBEDXBBUXXLV-AEJSXWLSSA-N 1 0 209.293 0.621 20 30 BCEDRO CC[C@@H](C(=O)N(CC#N)C1CC1)[NH+](C)C ZINC000413234713 191365294 /nfs/dbraw/zinc/36/52/94/191365294.db2.gz FIDOPLLCJIDKSK-JTQLQIEISA-N 1 0 209.293 0.841 20 30 BCEDRO C#CCN([C@H](C)CS(C)(=O)=O)C1CC1 ZINC000113261887 355308481 /nfs/dbraw/zinc/30/84/81/355308481.db2.gz UTLOIXCJVNJANM-SECBINFHSA-N 1 0 215.318 0.517 20 30 BCEDRO C=C(C)C[N@H+](CC)CCCN1C(=O)CNC1=O ZINC000102190967 355356758 /nfs/dbraw/zinc/35/67/58/355356758.db2.gz OUYXRVQYWDUVCC-UHFFFAOYSA-N 1 0 239.319 0.826 20 30 BCEDRO O=C(NCC[NH+]1CCCCC1)C1(CO)COC1 ZINC000329175128 355411543 /nfs/dbraw/zinc/41/15/43/355411543.db2.gz BJYRGCQKYGKBID-UHFFFAOYSA-N 1 0 242.319 0.438 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)CCCCO ZINC000349954081 355535230 /nfs/dbraw/zinc/53/52/30/355535230.db2.gz HGMJHCYRJWZCML-UHFFFAOYSA-N 1 0 241.335 0.453 20 30 BCEDRO C=CCOCCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000639314700 355697184 /nfs/dbraw/zinc/69/71/84/355697184.db2.gz GEFFCGFDTDCHQL-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCOCCC[NH2+]C[C@]1(OC)CCOC1 ZINC000639317556 355708778 /nfs/dbraw/zinc/70/87/78/355708778.db2.gz UGLJYWORYCZIQQ-GFCCVEGCSA-N 1 0 229.320 0.974 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CC(n2cccn2)C1 ZINC000639326084 355726051 /nfs/dbraw/zinc/72/60/51/355726051.db2.gz DDVMPWBPAQHWFG-KPPDAEKUSA-N 1 0 207.277 0.723 20 30 BCEDRO C=CC(C)(C)CC[NH2+]Cc1cnc(N)nc1N ZINC000639343715 355786728 /nfs/dbraw/zinc/78/67/28/355786728.db2.gz NFYBBTMLCYBIFS-UHFFFAOYSA-N 1 0 235.335 0.994 20 30 BCEDRO C=CCOCCCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274848746 166414251 /nfs/dbraw/zinc/41/42/51/166414251.db2.gz XYEWYPQRCDZRRG-NSHDSACASA-N 1 0 242.319 0.155 20 30 BCEDRO N#CCCCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000609572672 355910115 /nfs/dbraw/zinc/91/01/15/355910115.db2.gz PAKUMMQCZZSWKL-STQMWFEESA-N 1 0 237.347 0.821 20 30 BCEDRO N#CCC(=O)NCCCC[NH+]1CCOCC1 ZINC000330875349 355990036 /nfs/dbraw/zinc/99/00/36/355990036.db2.gz JCQVFGLEFSWRCV-UHFFFAOYSA-N 1 0 225.292 0.129 20 30 BCEDRO C[C@H](CCC#N)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000351435556 355990787 /nfs/dbraw/zinc/99/07/87/355990787.db2.gz YPTMVDRRILVSEA-OPRDCNLKSA-N 1 0 225.292 0.253 20 30 BCEDRO C=CCC[C@H](C)N[C@@H](C(=O)OC)[C@@H](C)O ZINC000191967023 355947552 /nfs/dbraw/zinc/94/75/52/355947552.db2.gz YCDZJDNFVKRORF-IVZWLZJFSA-N 1 0 215.293 0.853 20 30 BCEDRO C=C(C)CN(C)C(=O)CN1CC[NH+](CC)CC1 ZINC000351532459 356010156 /nfs/dbraw/zinc/01/01/56/356010156.db2.gz BBTCWFVKDDWWJP-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO CC#CCCNC(=O)NC1(C)CC[NH2+]CC1 ZINC000418022702 191954844 /nfs/dbraw/zinc/95/48/44/191954844.db2.gz AXDIWVJWIOBPIG-UHFFFAOYSA-N 1 0 223.320 0.841 20 30 BCEDRO C=CC[C@H](CC)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418140966 191987481 /nfs/dbraw/zinc/98/74/81/191987481.db2.gz IKSYUMPIPCNXKB-QWRGUYRKSA-N 1 0 241.335 0.710 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCC[NH2+]C ZINC000418246961 192002555 /nfs/dbraw/zinc/00/25/55/192002555.db2.gz GITKEODPEZNWNP-MNOVXSKESA-N 1 0 241.335 0.629 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418242710 192003406 /nfs/dbraw/zinc/00/34/06/192003406.db2.gz MHJLPWSRHFZOHM-NSHDSACASA-N 1 0 240.351 0.155 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](C)C[NH2+]C ZINC000418260896 192006070 /nfs/dbraw/zinc/00/60/70/192006070.db2.gz YCOIXRNFAYOCID-MXWKQRLJSA-N 1 0 241.335 0.485 20 30 BCEDRO C=CC(C)(C)CNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418259139 192006502 /nfs/dbraw/zinc/00/65/02/192006502.db2.gz WRTLSRUBWWOVFJ-SNVBAGLBSA-N 1 0 241.335 0.486 20 30 BCEDRO C=CC(C)(C)CNC(=O)N1CC[NH2+]CC1 ZINC000418250434 192007424 /nfs/dbraw/zinc/00/74/24/192007424.db2.gz LGECEIYTKHDUEQ-UHFFFAOYSA-N 1 0 211.309 0.813 20 30 BCEDRO CC1(C(=O)NCC[N@@H+]2CCCOCC2)COC1 ZINC000329998915 356157527 /nfs/dbraw/zinc/15/75/27/356157527.db2.gz TVSIISSRAAOXTB-UHFFFAOYSA-N 1 0 242.319 0.702 20 30 BCEDRO C=C(C)CCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418252775 192008366 /nfs/dbraw/zinc/00/83/66/192008366.db2.gz YIUMRRGWDSGEEY-JTQLQIEISA-N 1 0 211.309 0.989 20 30 BCEDRO C=C(CC)CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418268062 192009744 /nfs/dbraw/zinc/00/97/44/192009744.db2.gz RDDIRPXUYBCYIT-SNVBAGLBSA-N 1 0 211.309 0.989 20 30 BCEDRO Cc1nnccc1NC(=O)N1CC[C@H]([NH+](C)C)C1 ZINC000330098028 356171345 /nfs/dbraw/zinc/17/13/45/356171345.db2.gz BISNBCFVALOOQX-JTQLQIEISA-N 1 0 249.318 0.966 20 30 BCEDRO Cc1nnccc1NC(=O)N1CC([NH+](C)C)C1 ZINC000330136906 356174758 /nfs/dbraw/zinc/17/47/58/356174758.db2.gz ULUHOZZDHUHNRV-UHFFFAOYSA-N 1 0 235.291 0.576 20 30 BCEDRO C[C@@H]1CC[C@@H](O)C[N@@H+]1CCOCCC#N ZINC000399324401 356131311 /nfs/dbraw/zinc/13/13/11/356131311.db2.gz KIVLWNGTDOYZNP-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO N#Cc1cccc(C#N)c1NC[C@H]1C[NH2+]C[C@@H]1O ZINC000420233987 192181840 /nfs/dbraw/zinc/18/18/40/192181840.db2.gz CDFOUYMSNUGZKA-NEPJUHHUSA-N 1 0 242.282 0.422 20 30 BCEDRO Cn1cnc(CNC(=O)[C@H]2CCC[N@@H+]2C2CC2)n1 ZINC000330214215 356184875 /nfs/dbraw/zinc/18/48/75/356184875.db2.gz GAKPEWRQQUDVOP-SNVBAGLBSA-N 1 0 249.318 0.898 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)NCC(C)(C)CC#N ZINC000418293125 192017581 /nfs/dbraw/zinc/01/75/81/192017581.db2.gz OZRVQSMJKCBCOD-VIFPVBQESA-N 1 0 226.324 0.963 20 30 BCEDRO N#Cc1cccc(C#N)c1NC[C@H]1C[NH2+]CCO1 ZINC000420272351 192196969 /nfs/dbraw/zinc/19/69/69/192196969.db2.gz CFWJUHAZDKQGJG-GFCCVEGCSA-N 1 0 242.282 0.830 20 30 BCEDRO C[C@H]1C[C@@H](Nc2ncncc2C#N)CC[N@@H+]1C ZINC000384099419 356306496 /nfs/dbraw/zinc/30/64/96/356306496.db2.gz APIXWONEWKVCOJ-ONGXEEELSA-N 1 0 231.303 0.665 20 30 BCEDRO C=CCCC(=O)NCCN(C)CCC[NH+](C)C ZINC000617767430 356328547 /nfs/dbraw/zinc/32/85/47/356328547.db2.gz VCTISLRRKZZYRS-UHFFFAOYSA-N 1 0 241.379 0.952 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@H]2C[NH3+])C1=O ZINC000420286982 192200980 /nfs/dbraw/zinc/20/09/80/192200980.db2.gz HIVVWGBXWVTPJQ-QWRGUYRKSA-N 1 0 223.320 0.196 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617762377 356320083 /nfs/dbraw/zinc/32/00/83/356320083.db2.gz NNGPKCIFGSTBER-ONGXEEELSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617762375 356320153 /nfs/dbraw/zinc/32/01/53/356320153.db2.gz NNGPKCIFGSTBER-KOLCDFICSA-N 1 0 214.309 0.380 20 30 BCEDRO C=CCN1CC[C@H](N2CC[NH2+][C@H](C)[C@H]2C)C1=O ZINC000420310575 192211207 /nfs/dbraw/zinc/21/12/07/192211207.db2.gz MJMDWFAWWIPCQW-UTUOFQBUSA-N 1 0 237.347 0.456 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000420321466 192228493 /nfs/dbraw/zinc/22/84/93/192228493.db2.gz VHEGFPOMABMFNK-AVGNSLFASA-N 1 0 249.358 0.315 20 30 BCEDRO CC[N@@H+]1CCN(c2ncncc2C#N)C[C@@H]1C ZINC000384142853 356410146 /nfs/dbraw/zinc/41/01/46/356410146.db2.gz NOPMKGVMFDNBST-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](CC)C[C@@H](C)O ZINC000352202198 134101446 /nfs/dbraw/zinc/10/14/46/134101446.db2.gz IURKIEXIBZKXNV-ZJUUUORDSA-N 1 0 214.309 0.380 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000420445740 192242933 /nfs/dbraw/zinc/24/29/33/192242933.db2.gz SNQCTIRYCWOYGN-SFYZADRCSA-N 1 0 206.311 0.218 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NCC[NH+]2CCC2)C1 ZINC000333400384 134107828 /nfs/dbraw/zinc/10/78/28/134107828.db2.gz NSLUIKVAHDWAFC-WDEREUQCSA-N 1 0 236.319 0.684 20 30 BCEDRO C=C(C)CS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420729039 192259196 /nfs/dbraw/zinc/25/91/96/192259196.db2.gz BOSHEPUWQBEVOG-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C[C@@H](CC#N)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000609804211 356474303 /nfs/dbraw/zinc/47/43/03/356474303.db2.gz FCIHUMKGEAJLST-ONGXEEELSA-N 1 0 247.302 0.417 20 30 BCEDRO C=CCNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420756700 192258081 /nfs/dbraw/zinc/25/80/81/192258081.db2.gz DEPVEUDIDLDFJD-JTQLQIEISA-N 1 0 211.309 0.908 20 30 BCEDRO C[NH+](C)CCCCC(=O)N1CCOC[C@@H]1C#N ZINC000578106882 366254419 /nfs/dbraw/zinc/25/44/19/366254419.db2.gz JHBFKYZIVACGMN-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H]1CCc2ncnn21 ZINC000639608263 356524913 /nfs/dbraw/zinc/52/49/13/356524913.db2.gz GWDUDNZGXZJJOA-NSHDSACASA-N 1 0 236.319 0.900 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000622012940 370663350 /nfs/dbraw/zinc/66/33/50/370663350.db2.gz IHMXIHITQDUBHY-QWRGUYRKSA-N 1 0 244.360 0.706 20 30 BCEDRO C=CC[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352241979 134118050 /nfs/dbraw/zinc/11/80/50/134118050.db2.gz NRAXUJIVHOHBOE-UHFFFAOYSA-N 1 0 232.349 0.434 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000613523361 363473442 /nfs/dbraw/zinc/47/34/42/363473442.db2.gz FUGOWUOFUGBGFR-CYBMUJFWSA-N 1 0 238.331 0.692 20 30 BCEDRO N#Cc1cncn(C[C@H]2CC[C@H](C[NH3+])CC2)c1=O ZINC000578130213 366290026 /nfs/dbraw/zinc/29/00/26/366290026.db2.gz XCMVMZXWLLTKPB-XYPYZODXSA-N 1 0 246.314 0.880 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000578132128 366294011 /nfs/dbraw/zinc/29/40/11/366294011.db2.gz PANRKMXUFSENGW-UWVGGRQHSA-N 1 0 235.349 0.194 20 30 BCEDRO C=CCN(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627204799 363500542 /nfs/dbraw/zinc/50/05/42/363500542.db2.gz GGOPDDZIRXGANH-ZJUUUORDSA-N 1 0 211.309 0.954 20 30 BCEDRO C=C(C)CNC(=O)NCCOCCC[NH3+] ZINC000627215528 363513218 /nfs/dbraw/zinc/51/32/18/363513218.db2.gz HNALFODDHXOTRJ-UHFFFAOYSA-N 1 0 215.297 0.227 20 30 BCEDRO CN(CC#N)C(=O)c1ccc2c[nH+]cn2c1 ZINC000336234096 134140336 /nfs/dbraw/zinc/14/03/36/134140336.db2.gz SZUJXPKCNWDDKX-UHFFFAOYSA-N 1 0 214.228 0.930 20 30 BCEDRO C[C@H]1C(=O)NCCN1CC1(CC#N)CC1 ZINC000088259530 356645133 /nfs/dbraw/zinc/64/51/33/356645133.db2.gz YFAOBNPDWNFKAI-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]2CC[N@H+](C)C[C@H]21 ZINC000352807110 134152594 /nfs/dbraw/zinc/15/25/94/134152594.db2.gz UEXNJHJWLZFOQF-GMTAPVOTSA-N 1 0 221.304 0.699 20 30 BCEDRO Cc1cc(N[C@H]2CCC(=O)N(C)C2)c(C#N)cn1 ZINC000399399258 356661471 /nfs/dbraw/zinc/66/14/71/356661471.db2.gz VUYSYWQXLMZYDZ-NSHDSACASA-N 1 0 244.298 0.716 20 30 BCEDRO CO[C@@H](C)C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000353255862 134162836 /nfs/dbraw/zinc/16/28/36/134162836.db2.gz PSRCOLKFJFVYAO-QWRGUYRKSA-N 1 0 241.335 0.714 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CCCC2)CC1 ZINC000054171283 363563325 /nfs/dbraw/zinc/56/33/25/363563325.db2.gz HRDKEHCBMGPSCU-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000353367634 134163525 /nfs/dbraw/zinc/16/35/25/134163525.db2.gz CSMLGXFJQKHOSE-QWRGUYRKSA-N 1 0 224.304 0.257 20 30 BCEDRO C=C(C)C[N@@H+](CC)CC(=O)N1CCN(C)CC1 ZINC000124064742 358512428 /nfs/dbraw/zinc/51/24/28/358512428.db2.gz MURJNQJHTJOLBV-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C=CCOCC(=O)NCC[NH+]1CCCCC1 ZINC000354663187 134169409 /nfs/dbraw/zinc/16/94/09/134169409.db2.gz WVKXPCSJAPPSKX-UHFFFAOYSA-N 1 0 226.320 0.791 20 30 BCEDRO CC(C)=CCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262423347 535346052 /nfs/dbraw/zinc/34/60/52/535346052.db2.gz BTZRQSOCBMPTAG-SNVBAGLBSA-N 1 0 211.309 0.988 20 30 BCEDRO C[C@@H]1C[C@@H](C)[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC000355733477 134174694 /nfs/dbraw/zinc/17/46/94/134174694.db2.gz AOOXRMYYMMBBQI-MXWKQRLJSA-N 1 0 223.320 0.993 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000356002495 134176603 /nfs/dbraw/zinc/17/66/03/134176603.db2.gz DWVAKEAXBWOYDV-LBPRGKRZSA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CC#Cc1ccccc1 ZINC000639851091 356855141 /nfs/dbraw/zinc/85/51/41/356855141.db2.gz YZENPBZMULHEPL-GJZGRUSLSA-N 1 0 245.322 0.856 20 30 BCEDRO C#CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362075063 356941831 /nfs/dbraw/zinc/94/18/31/356941831.db2.gz CGPKROBTJWRGMI-KBPBESRZSA-N 1 0 235.375 0.577 20 30 BCEDRO C=CCOCC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000356477616 134178512 /nfs/dbraw/zinc/17/85/12/134178512.db2.gz UQOYAUFOWZUCQE-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C[NH+](C)CCOCCNc1ccncc1C#N ZINC000399604296 356983676 /nfs/dbraw/zinc/98/36/76/356983676.db2.gz USZSMAVBBCJQHP-UHFFFAOYSA-N 1 0 234.303 0.365 20 30 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BCEDRO C=CCCC(=O)NC[C@@H](C)N1CC[NH+](C)CC1 ZINC000171133000 357275343 /nfs/dbraw/zinc/27/53/43/357275343.db2.gz VCNDNAGLNOJKBA-GFCCVEGCSA-N 1 0 239.363 0.705 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCOCC2(CC2)C1 ZINC000360088634 134198498 /nfs/dbraw/zinc/19/84/98/134198498.db2.gz MVKMFTSBLDQDIZ-LLVKDONJSA-N 1 0 238.331 0.790 20 30 BCEDRO C[N@H+](C[C@H](O)CNCCCC#N)C1CC1 ZINC000582602271 357348536 /nfs/dbraw/zinc/34/85/36/357348536.db2.gz UQDZHTYLOMZIBV-LLVKDONJSA-N 1 0 211.309 0.335 20 30 BCEDRO N#CCC[NH2+][C@H]1CCN(CC(F)F)C1 ZINC000582959925 357438578 /nfs/dbraw/zinc/43/85/78/357438578.db2.gz TZOINYILAFSOHY-QMMMGPOBSA-N 1 0 203.236 0.829 20 30 BCEDRO CC(=O)N[C@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000583148893 357495256 /nfs/dbraw/zinc/49/52/56/357495256.db2.gz SHBFPAVPRTUHEE-ONGXEEELSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000583154134 357496931 /nfs/dbraw/zinc/49/69/31/357496931.db2.gz UQRRUQLIVMMLFB-VXGBXAGGSA-N 1 0 240.347 0.629 20 30 BCEDRO C[C@H](C(=O)NC(N)=O)[NH+]1CCC(CC#N)CC1 ZINC000397178706 357508400 /nfs/dbraw/zinc/50/84/00/357508400.db2.gz HWVBDIJQCKRTBO-MRVPVSSYSA-N 1 0 238.291 0.195 20 30 BCEDRO C=CCOCC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000360815014 134202539 /nfs/dbraw/zinc/20/25/39/134202539.db2.gz DGPSUXGXUOQEAJ-LBPRGKRZSA-N 1 0 224.304 0.401 20 30 BCEDRO CC[N@H+](CC[C@@H]1CCNC1=O)C[C@H](C)C#N ZINC000395840063 357456833 /nfs/dbraw/zinc/45/68/33/357456833.db2.gz HGYRBOQCNBNTHO-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000361110142 134203559 /nfs/dbraw/zinc/20/35/59/134203559.db2.gz OYFWAVXBQWSWAI-NWDGAFQWSA-N 1 0 238.331 0.693 20 30 BCEDRO Cn1cc(C[NH2+]C[C@H]2CN(C)CCO2)cc1C#N ZINC000189595756 357644833 /nfs/dbraw/zinc/64/48/33/357644833.db2.gz ISYHAHDXVUJXDJ-ZDUSSCGKSA-N 1 0 248.330 0.317 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CCC(C#N)CC1 ZINC000362661822 134213647 /nfs/dbraw/zinc/21/36/47/134213647.db2.gz GLHQJOICRBNPDN-CMPLNLGQSA-N 1 0 235.331 0.946 20 30 BCEDRO C=C(C)CN1CCCN(CCOC)C(=O)C1 ZINC000190763537 357731313 /nfs/dbraw/zinc/73/13/13/357731313.db2.gz ACGIXBMFVXBYSJ-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C[N@H+](CCCC#N)C1(CO)CCOCC1 ZINC000190993302 357736247 /nfs/dbraw/zinc/73/62/47/357736247.db2.gz KKYSOQWNKLAOAP-UHFFFAOYSA-N 1 0 212.293 0.763 20 30 BCEDRO NC(=O)[C@H]1CCCN1CC#Cc1ccccc1 ZINC000191912817 357804090 /nfs/dbraw/zinc/80/40/90/357804090.db2.gz LFLPGVDHCYYEOO-CYBMUJFWSA-N 1 0 228.295 0.988 20 30 BCEDRO C=CCCC(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000368957510 134221102 /nfs/dbraw/zinc/22/11/02/134221102.db2.gz CLAQSKUJYZGHKX-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO CC#CCCN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368966748 134221237 /nfs/dbraw/zinc/22/12/37/134221237.db2.gz QVMAMJNLYNURBU-CYBMUJFWSA-N 1 0 224.348 0.788 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369041288 134221485 /nfs/dbraw/zinc/22/14/85/134221485.db2.gz NUZWUVVTBMMHDU-LLVKDONJSA-N 1 0 223.276 0.865 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000370258841 134225515 /nfs/dbraw/zinc/22/55/15/134225515.db2.gz APIPITRROGVZOD-HCPXXLAASA-N 1 0 225.292 0.171 20 30 BCEDRO C=CCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000370606903 134226545 /nfs/dbraw/zinc/22/65/45/134226545.db2.gz QDRSMENSLAZAAG-SNVBAGLBSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000235525264 357876198 /nfs/dbraw/zinc/87/61/98/357876198.db2.gz UGXOQLZQRSAIQP-UMNHJUIQSA-N 1 0 226.320 0.834 20 30 BCEDRO NC(=[NH2+])NCc1ccc(Cn2ccnc2)cc1 ZINC000303257226 134233047 /nfs/dbraw/zinc/23/30/47/134233047.db2.gz JCVCPEYJNBDUBA-UHFFFAOYSA-N 1 0 229.287 0.705 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000372991499 134233232 /nfs/dbraw/zinc/23/32/32/134233232.db2.gz UGAXOIAJVCHQCT-LBPRGKRZSA-N 1 0 239.363 0.705 20 30 BCEDRO N#CCCC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000399371641 357904737 /nfs/dbraw/zinc/90/47/37/357904737.db2.gz MOEGMHVBVBFNGS-UHFFFAOYSA-N 1 0 238.291 0.197 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000373602705 134234562 /nfs/dbraw/zinc/23/45/62/134234562.db2.gz GKWZAEADOAURAJ-WCQYABFASA-N 1 0 237.299 0.521 20 30 BCEDRO CCC[N@H+](C)CC(=O)N(CCC#N)CCOC ZINC000610491649 357954436 /nfs/dbraw/zinc/95/44/36/357954436.db2.gz IBVQADKZLMDWLJ-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO CC[NH+](CC)CC(=O)N(CCC#N)CCOC ZINC000610486030 357957622 /nfs/dbraw/zinc/95/76/22/357957622.db2.gz LHJLPKWLDBUUMN-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO C=C(C)C[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373236405 134234064 /nfs/dbraw/zinc/23/40/64/134234064.db2.gz IHFGPUINJIWMSF-SNVBAGLBSA-N 1 0 209.293 0.614 20 30 BCEDRO CC[N@H+](CCO)CCCSCC#N ZINC000304379889 134237646 /nfs/dbraw/zinc/23/76/46/134237646.db2.gz IACAITBTUWWHLF-UHFFFAOYSA-N 1 0 202.323 0.947 20 30 BCEDRO C=C(CC)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639948362 357972340 /nfs/dbraw/zinc/97/23/40/357972340.db2.gz GYRNYUXICMAZRQ-BETUJISGSA-N 1 0 236.315 0.937 20 30 BCEDRO C=CCCC[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639954517 357973310 /nfs/dbraw/zinc/97/33/10/357973310.db2.gz SYKVLPHLYHMNRW-CHWSQXEVSA-N 1 0 236.315 0.937 20 30 BCEDRO CC#CCC[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000375180198 134238743 /nfs/dbraw/zinc/23/87/43/134238743.db2.gz ZLFPZYSLWFFPGE-UHFFFAOYSA-N 1 0 246.314 0.718 20 30 BCEDRO C[C@@H](C(=O)N[C@]1(C#N)CCSC1)[NH+](C)C ZINC000610560009 357986906 /nfs/dbraw/zinc/98/69/06/357986906.db2.gz LNNBUFOAGAXEDC-WPRPVWTQSA-N 1 0 227.333 0.452 20 30 BCEDRO C=C(C)CN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000375503035 134239858 /nfs/dbraw/zinc/23/98/58/134239858.db2.gz YOUNELVAMATDKN-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000639997919 358035345 /nfs/dbraw/zinc/03/53/45/358035345.db2.gz AHKSQTKMWWVREE-AVGNSLFASA-N 1 0 243.347 0.785 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000376500464 134242318 /nfs/dbraw/zinc/24/23/18/134242318.db2.gz LBESJUDLIHVGJP-RYUDHWBXSA-N 1 0 237.347 0.315 20 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C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000310258861 358443344 /nfs/dbraw/zinc/44/33/44/358443344.db2.gz QAPDCZLEPVEGOB-QWRGUYRKSA-N 1 0 240.347 0.770 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000418419051 358432641 /nfs/dbraw/zinc/43/26/41/358432641.db2.gz XANZCWOKSJRABZ-GHMZBOCLSA-N 1 0 223.320 0.826 20 30 BCEDRO CC(C)(C#N)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044752908 358552888 /nfs/dbraw/zinc/55/28/88/358552888.db2.gz UTBFJHRVCBDWFL-VIFPVBQESA-N 1 0 221.304 0.889 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](CCC)CC(=O)NC ZINC000129056984 358583631 /nfs/dbraw/zinc/58/36/31/358583631.db2.gz ZASBWHZBJJEJAF-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+]CCn1cccn1 ZINC000042541151 358525525 /nfs/dbraw/zinc/52/55/25/358525525.db2.gz UFVAYTJFFRZTNT-JTQLQIEISA-N 1 0 222.292 0.163 20 30 BCEDRO C=CCCS(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000131309626 358671169 /nfs/dbraw/zinc/67/11/69/358671169.db2.gz XXFARFJRQTZFNA-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO CC#CC[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000359975193 358709735 /nfs/dbraw/zinc/70/97/35/358709735.db2.gz QAKXVKHKBRNMEV-JTQLQIEISA-N 1 0 248.286 0.335 20 30 BCEDRO C[C@@H](C#N)C[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000132829670 358736892 /nfs/dbraw/zinc/73/68/92/358736892.db2.gz BZZOSQHFZJIURS-JTQLQIEISA-N 1 0 238.335 0.882 20 30 BCEDRO C=CCNC(=O)CN1CC[NH+](CC2CC2)CC1 ZINC000052165077 358774587 /nfs/dbraw/zinc/77/45/87/358774587.db2.gz IMQAZGHBOUSRPP-UHFFFAOYSA-N 1 0 237.347 0.316 20 30 BCEDRO C=CCNC(=O)CN[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000134402855 358789628 /nfs/dbraw/zinc/78/96/28/358789628.db2.gz JGXOMBFZHHUTFC-MNOVXSKESA-N 1 0 225.336 0.218 20 30 BCEDRO C[C@H](C#N)C(=O)NCCC1CC[NH+](C)CC1 ZINC000134882424 358809948 /nfs/dbraw/zinc/80/99/48/358809948.db2.gz CLGIZVANVVTUBE-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@H](C#N)NC(=O)C[NH+]1CCC(C)CC1 ZINC000135324565 358830744 /nfs/dbraw/zinc/83/07/44/358830744.db2.gz FJCKGUIQTHHXQR-SNVBAGLBSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC[NH+]1CCCCC1 ZINC000180484549 366480671 /nfs/dbraw/zinc/48/06/71/366480671.db2.gz HMMCVTWJFKARFQ-NSHDSACASA-N 1 0 238.335 0.931 20 30 BCEDRO COCC#CC[NH2+][C@](C)(COC)CC(=O)OC ZINC000611141244 358879617 /nfs/dbraw/zinc/87/96/17/358879617.db2.gz IEUSTSOSUHCCFC-LBPRGKRZSA-N 1 0 243.303 0.194 20 30 BCEDRO CN(Cc1ccnc(C#N)c1)[C@H]1CCNC1=O ZINC000611155162 358898249 /nfs/dbraw/zinc/89/82/49/358898249.db2.gz XEVALFGFFOTOAW-NSHDSACASA-N 1 0 230.271 0.274 20 30 BCEDRO C=CCNC(=O)CN1CCC[N@@H+](C2CC2)CC1 ZINC000061041049 358931010 /nfs/dbraw/zinc/93/10/10/358931010.db2.gz LLDVWYKJFFWROB-UHFFFAOYSA-N 1 0 237.347 0.459 20 30 BCEDRO C#CC[N@@H+]1CCC[C@H](CN2CCOCC2)C1 ZINC000069859554 359034945 /nfs/dbraw/zinc/03/49/45/359034945.db2.gz NFSWTXUHKUIUMN-ZDUSSCGKSA-N 1 0 222.332 0.664 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000611194638 359119164 /nfs/dbraw/zinc/11/91/64/359119164.db2.gz KEXWBKDIPVFTPG-JTQLQIEISA-N 1 0 211.261 0.131 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)C[C@H](C)O ZINC000246532208 359145334 /nfs/dbraw/zinc/14/53/34/359145334.db2.gz PSJWHOWZJBJPIU-MNOVXSKESA-N 1 0 241.335 0.307 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(c2ccc(C#N)nn2)C1 ZINC000611240845 359227109 /nfs/dbraw/zinc/22/71/09/359227109.db2.gz HQYLMFYDFCUOHM-JTQLQIEISA-N 1 0 231.303 0.736 20 30 BCEDRO C=C[C@H](NCCN1CCCOCC1)C(=O)OC ZINC000619702348 363644105 /nfs/dbraw/zinc/64/41/05/363644105.db2.gz CRXHTTQNVRVOFN-NSHDSACASA-N 1 0 242.319 0.026 20 30 BCEDRO Cn1nnnc1CC[NH2+]Cc1ccc(C#N)cc1 ZINC000611314551 359311520 /nfs/dbraw/zinc/31/15/20/359311520.db2.gz FNTRCPDIDCXOGX-UHFFFAOYSA-N 1 0 242.286 0.414 20 30 BCEDRO Cn1nnnc1CC[NH2+]Cc1cc(C#N)cs1 ZINC000611314591 359311763 /nfs/dbraw/zinc/31/17/63/359311763.db2.gz PAEAZUUFBLYKIL-UHFFFAOYSA-N 1 0 248.315 0.476 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NCC#N)c1cccc(C#N)c1 ZINC000611388383 359358319 /nfs/dbraw/zinc/35/83/19/359358319.db2.gz HCWDLQXILXQEMZ-SNVBAGLBSA-N 1 0 242.282 0.849 20 30 BCEDRO C[C@@H](C(=O)N1CCSC[C@@H]1C#N)[NH+](C)C ZINC000611407430 359359965 /nfs/dbraw/zinc/35/99/65/359359965.db2.gz PDBCOELBMVGCBP-IUCAKERBSA-N 1 0 227.333 0.404 20 30 BCEDRO COCC#CCN1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000611432595 359364018 /nfs/dbraw/zinc/36/40/18/359364018.db2.gz UFWQZDHVGOCPNK-RYUDHWBXSA-N 1 0 242.388 0.614 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+](CC)CCC ZINC000611802561 359451114 /nfs/dbraw/zinc/45/11/14/359451114.db2.gz LBXUXQPNMDCFPL-GFCCVEGCSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CCC(N)=O ZINC000572394827 359482916 /nfs/dbraw/zinc/48/29/16/359482916.db2.gz WULCDNZBXGGZKT-KOLCDFICSA-N 1 0 212.293 0.433 20 30 BCEDRO CCOC(=O)CC[C@@H](O)C[NH2+]C[C@@H](C)C#N ZINC000580434584 359545757 /nfs/dbraw/zinc/54/57/57/359545757.db2.gz BKVOUZWHLMWIDT-VHSXEESVSA-N 1 0 228.292 0.440 20 30 BCEDRO CN(CC#N)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080611099 359572734 /nfs/dbraw/zinc/57/27/34/359572734.db2.gz DAEFDHVIFYOYJC-QWRGUYRKSA-N 1 0 221.304 0.843 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423941972 192848965 /nfs/dbraw/zinc/84/89/65/192848965.db2.gz FCYHPULALAKWFR-GMTAPVOTSA-N 1 0 226.320 0.773 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCCC[NH2+]C ZINC000424061192 192858079 /nfs/dbraw/zinc/85/80/79/192858079.db2.gz RHBCYUCPKCMNEP-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000424060675 192858134 /nfs/dbraw/zinc/85/81/34/192858134.db2.gz QMTRGVSPRRUFBM-UTUOFQBUSA-N 1 0 238.331 0.775 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000612102900 359649444 /nfs/dbraw/zinc/64/94/44/359649444.db2.gz GAYYDBZIKVLZGQ-KWBADKCTSA-N 1 0 238.331 0.665 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000612108372 359656786 /nfs/dbraw/zinc/65/67/86/359656786.db2.gz WJVFBGWYHLVZQU-YWVKMMECSA-N 1 0 224.304 0.275 20 30 BCEDRO N#CCC1(C[N@@H+](CCO)CCCO)CC1 ZINC000385780189 359668714 /nfs/dbraw/zinc/66/87/14/359668714.db2.gz MHDKZOHWORGCHD-UHFFFAOYSA-N 1 0 212.293 0.357 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000612303643 359777396 /nfs/dbraw/zinc/77/73/96/359777396.db2.gz JTWTWJHSZVYGSY-LSJOCFKGSA-N 1 0 224.304 0.132 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1noc(C)n1 ZINC000083152645 359785678 /nfs/dbraw/zinc/78/56/78/359785678.db2.gz XHOZTKHWYBQLKA-UHFFFAOYSA-N 1 0 209.253 0.358 20 30 BCEDRO N#CCCCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000612380126 359822917 /nfs/dbraw/zinc/82/29/17/359822917.db2.gz GIYQDKMOTZREGW-GFCCVEGCSA-N 1 0 248.330 0.946 20 30 BCEDRO C=C[C@H](O)C(=O)N(CC)CCC[NH+]1CCCC1 ZINC000613880739 363677764 /nfs/dbraw/zinc/67/77/64/363677764.db2.gz SGMVLLVORISZAU-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C[C@H](O)C(=O)N(CC)CCC[NH+](C)C ZINC000613862054 363670976 /nfs/dbraw/zinc/67/09/76/363670976.db2.gz VDGNGDLHZGGGPG-JTQLQIEISA-N 1 0 214.309 0.334 20 30 BCEDRO C=C(C)C[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000451150291 202364921 /nfs/dbraw/zinc/36/49/21/202364921.db2.gz TWGXCLVHKAPUMD-RYUDHWBXSA-N 1 0 210.321 0.967 20 30 BCEDRO N#CCC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000613946489 363696459 /nfs/dbraw/zinc/69/64/59/363696459.db2.gz ZVSNUKHSFYILGQ-SNVBAGLBSA-N 1 0 207.277 0.501 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000614009313 363700254 /nfs/dbraw/zinc/70/02/54/363700254.db2.gz ODYXTHPJSDCUJG-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC000578659565 366622047 /nfs/dbraw/zinc/62/20/47/366622047.db2.gz WRDIENDOSVSDLO-MNOVXSKESA-N 1 0 221.304 0.891 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000612692686 360005850 /nfs/dbraw/zinc/00/58/50/360005850.db2.gz CBHFZHXTUNUIHW-PRHODGIISA-N 1 0 235.287 0.320 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCN1CCCC1=O ZINC000451672841 202459107 /nfs/dbraw/zinc/45/91/07/202459107.db2.gz JCACBASKCAFXGH-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1COCCO1 ZINC000451685991 202460927 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ZINC000629172254 360920725 /nfs/dbraw/zinc/92/07/25/360920725.db2.gz WROWAOJCBWSZRL-DGCLKSJQSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC(C)(C)CNC(=O)N(CC[NH3+])CCO ZINC000418249947 200831308 /nfs/dbraw/zinc/83/13/08/200831308.db2.gz KRJISPHEAFFZOE-UHFFFAOYSA-N 1 0 229.324 0.161 20 30 BCEDRO CC#CCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418025977 200825679 /nfs/dbraw/zinc/82/56/79/200825679.db2.gz GOIYXJHJLLGCDC-SNVBAGLBSA-N 1 0 209.293 0.436 20 30 BCEDRO CC#CCCNC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418036139 200826638 /nfs/dbraw/zinc/82/66/38/200826638.db2.gz VWBLGQKMMYDGLZ-LLVKDONJSA-N 1 0 223.320 0.841 20 30 BCEDRO CCOCCN(CC)C(=O)[C@H]([NH3+])CCCC#N ZINC000424115511 200862142 /nfs/dbraw/zinc/86/21/42/200862142.db2.gz VHRNUNZUBMENNW-LLVKDONJSA-N 1 0 241.335 0.893 20 30 BCEDRO C[C@@]1(CNC(=O)[C@H]([NH3+])CCCC#N)CCOC1 ZINC000424141029 200866155 /nfs/dbraw/zinc/86/61/55/200866155.db2.gz OITWAMYEALVSDT-PWSUYJOCSA-N 1 0 239.319 0.550 20 30 BCEDRO C=CCCn1cc(C(=O)NC[C@@H](C)C[NH3+])nn1 ZINC000424151541 200868397 /nfs/dbraw/zinc/86/83/97/200868397.db2.gz HWOUVWVZHVIAQT-VIFPVBQESA-N 1 0 237.307 0.179 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@@H]2CCC[N@H+]2C)nn1 ZINC000629451021 361077550 /nfs/dbraw/zinc/07/75/50/361077550.db2.gz FWESHJKKEKARTB-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@@H](C[NH3+])C2CC2)nn1 ZINC000424085802 200856924 /nfs/dbraw/zinc/85/69/24/200856924.db2.gz ZRQUEFJRLZSIAU-JTQLQIEISA-N 1 0 249.318 0.321 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C)C[NH2+]C ZINC000424086021 200857254 /nfs/dbraw/zinc/85/72/54/200857254.db2.gz ZVGCHSXGSAFGID-UTUOFQBUSA-N 1 0 240.347 0.939 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C1CC(CC(=O)OC)C1 ZINC000424279498 200897309 /nfs/dbraw/zinc/89/73/09/200897309.db2.gz KFFJTUZWZGRNHJ-HSOILSAZSA-N 1 0 227.304 0.855 20 30 BCEDRO C[N@H+](CCCC#N)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000336657446 361311178 /nfs/dbraw/zinc/31/11/78/361311178.db2.gz LXRHVENDWSOMJM-JTQLQIEISA-N 1 0 245.348 0.256 20 30 BCEDRO C=CCC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428780723 201040544 /nfs/dbraw/zinc/04/05/44/201040544.db2.gz IGCFFKHHQBRWSD-SNVBAGLBSA-N 1 0 232.349 0.528 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CC[C@H](O)C[C@@H]2C)C1=O ZINC000429169506 201075968 /nfs/dbraw/zinc/07/59/68/201075968.db2.gz UJKIKWWCPGVVSA-SDDRHHMPSA-N 1 0 238.331 0.619 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](O)C[C@@H]1C ZINC000429166097 201076470 /nfs/dbraw/zinc/07/64/70/201076470.db2.gz HNQWHANBGWJENG-UWVGGRQHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCOCC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000429380068 201107313 /nfs/dbraw/zinc/10/73/13/201107313.db2.gz LLHBZPUNEGSLMJ-LLVKDONJSA-N 1 0 226.320 0.695 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429323968 201101565 /nfs/dbraw/zinc/10/15/65/201101565.db2.gz YPSHFLYGUJOCSS-LLVKDONJSA-N 1 0 246.310 0.751 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(N)=O ZINC000429722341 201129149 /nfs/dbraw/zinc/12/91/49/201129149.db2.gz SOKMEGRBQYEGIC-JTQLQIEISA-N 1 0 213.325 0.300 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000579472696 366821566 /nfs/dbraw/zinc/82/15/66/366821566.db2.gz JIRXPSABEKXQFF-ZJUUUORDSA-N 1 0 212.293 0.433 20 30 BCEDRO C=CCCn1cc(CN(CC)CC[NH3+])nn1 ZINC000629558212 361452682 /nfs/dbraw/zinc/45/26/82/361452682.db2.gz SZLPSUDULBZOKG-UHFFFAOYSA-N 1 0 223.324 0.635 20 30 BCEDRO COCC#CC[NH2+][C@H](CO)C1CCOCC1 ZINC000309944274 491158724 /nfs/dbraw/zinc/15/87/24/491158724.db2.gz CSIRILPNPCKLHW-GFCCVEGCSA-N 1 0 227.304 0.013 20 30 BCEDRO C=CCNC(=O)c1ncn([C@H]2CCC[NH2+]C2)n1 ZINC000433404993 201183144 /nfs/dbraw/zinc/18/31/44/201183144.db2.gz CARZLKKMYDOABU-VIFPVBQESA-N 1 0 235.291 0.118 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434456836 201219546 /nfs/dbraw/zinc/21/95/46/201219546.db2.gz PBGRJWRWVJRMKT-QWRGUYRKSA-N 1 0 239.319 0.109 20 30 BCEDRO C=CCOCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000435248371 201256983 /nfs/dbraw/zinc/25/69/83/201256983.db2.gz NYEOXDKLYOUHGN-LLVKDONJSA-N 1 0 224.304 0.542 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000435445107 201271712 /nfs/dbraw/zinc/27/17/12/201271712.db2.gz UWZXCHTWBINOEP-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCN(CCC[NH2+]C)[C@@H]1CCS(=O)(=O)C1 ZINC000435881679 201294638 /nfs/dbraw/zinc/29/46/38/201294638.db2.gz WBZWRVIVSLAIBF-LLVKDONJSA-N 1 0 246.376 0.271 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000614398024 363804924 /nfs/dbraw/zinc/80/49/24/363804924.db2.gz BPYQLQNLEKKUAO-SECBINFHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627244723 363848302 /nfs/dbraw/zinc/84/83/02/363848302.db2.gz QXCJLELTJJWTEJ-WDEREUQCSA-N 1 0 241.335 0.581 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000614722932 363939645 /nfs/dbraw/zinc/93/96/45/363939645.db2.gz ADPDCFXFIWEJMM-WOPDTQHZSA-N 1 0 238.331 0.619 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCN(CC)C[C@@H]1C ZINC000614711273 363935288 /nfs/dbraw/zinc/93/52/88/363935288.db2.gz VVRGUFAXRROMCU-VHSXEESVSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614850648 364002251 /nfs/dbraw/zinc/00/22/51/364002251.db2.gz AJVDXAYXDZLEAF-QWRGUYRKSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000614834088 363988997 /nfs/dbraw/zinc/98/89/97/363988997.db2.gz HANLKXSWJDNCOG-SRVKXCTJSA-N 1 0 238.331 0.619 20 30 BCEDRO N#Cc1cncc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000600885336 364237211 /nfs/dbraw/zinc/23/72/11/364237211.db2.gz QXZZXSHCZMSQOO-PWSUYJOCSA-N 1 0 243.314 0.927 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](C)C[N@@H+](C)CCCC ZINC000614975590 364259049 /nfs/dbraw/zinc/25/90/49/364259049.db2.gz REWYXYOEWIMWTP-MNOVXSKESA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000615040347 364408603 /nfs/dbraw/zinc/40/86/03/364408603.db2.gz DOBXDKYTJOVPAT-NXEZZACHSA-N 1 0 214.309 0.378 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000136230943 364466621 /nfs/dbraw/zinc/46/66/21/364466621.db2.gz SHYWCBPTJNSXTH-KOLCDFICSA-N 1 0 211.309 0.993 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)CC(=O)NC ZINC000453367388 202752047 /nfs/dbraw/zinc/75/20/47/202752047.db2.gz TUXIIPDVEVHEIE-MXWKQRLJSA-N 1 0 226.320 0.834 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615203254 364626140 /nfs/dbraw/zinc/62/61/40/364626140.db2.gz KUOGJWYUWDLACD-PWSUYJOCSA-N 1 0 224.304 0.088 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000615188691 364617212 /nfs/dbraw/zinc/61/72/12/364617212.db2.gz WRYBEXHXCMTLKJ-UMNHJUIQSA-N 1 0 224.304 0.086 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2COC[C@H]2O)cc1 ZINC000037749023 364573204 /nfs/dbraw/zinc/57/32/04/364573204.db2.gz RDICTMIPJPQMJD-NWDGAFQWSA-N 1 0 218.256 0.408 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615303381 364681258 /nfs/dbraw/zinc/68/12/58/364681258.db2.gz HJOYMAWSUAURKY-LOWVWBTDSA-N 1 0 240.347 0.865 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615303383 364681330 /nfs/dbraw/zinc/68/13/30/364681330.db2.gz HJOYMAWSUAURKY-WZRBSPASSA-N 1 0 240.347 0.865 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cc[nH]c(=O)c1 ZINC000293879658 364774913 /nfs/dbraw/zinc/77/49/13/364774913.db2.gz CMBFTURZYKSLST-UHFFFAOYSA-N 1 0 247.298 0.472 20 30 BCEDRO CC[NH+](CC)CC[C@H](CO)NCCC#N ZINC000573370340 364813145 /nfs/dbraw/zinc/81/31/45/364813145.db2.gz AQDXMBFUBGLHDP-LLVKDONJSA-N 1 0 213.325 0.582 20 30 BCEDRO N#CC1CCC([NH2+][C@@H]2CCOC[C@H]2O)CC1 ZINC000602723428 541385227 /nfs/dbraw/zinc/38/52/27/541385227.db2.gz GWPTZTSOBIDCIC-KIDURHIOSA-N 1 0 224.304 0.808 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000573574095 364866324 /nfs/dbraw/zinc/86/63/24/364866324.db2.gz JVPOHWITEAKPDS-JTQLQIEISA-N 1 0 246.314 0.767 20 30 BCEDRO C[NH+](C)CCCCC(=O)N(CC#N)CC#N ZINC000573854073 364930635 /nfs/dbraw/zinc/93/06/35/364930635.db2.gz YYXILULPCQQKDV-UHFFFAOYSA-N 1 0 222.292 0.594 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@H](O)COC ZINC000574193496 365007789 /nfs/dbraw/zinc/00/77/89/365007789.db2.gz XDHMQYLSIYAUOO-WOPDTQHZSA-N 1 0 229.320 0.565 20 30 BCEDRO CSC[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000574150761 364996830 /nfs/dbraw/zinc/99/68/30/364996830.db2.gz IYUMEAKQASCGCB-QMMMGPOBSA-N 1 0 200.307 0.604 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]2CC[NH2+][C@H]2C)nn1 ZINC000574755008 365135452 /nfs/dbraw/zinc/13/54/52/365135452.db2.gz SCUPGIGBVPYDRN-ONGXEEELSA-N 1 0 249.318 0.078 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)CSCC[NH2+]C ZINC000574754231 365135467 /nfs/dbraw/zinc/13/54/67/365135467.db2.gz PEYMNJZGNZJOCU-JTQLQIEISA-N 1 0 243.376 0.947 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)CSCC#N ZINC000171144113 365171017 /nfs/dbraw/zinc/17/10/17/365171017.db2.gz DMWMURHCHRVQAC-UHFFFAOYSA-N 1 0 229.349 0.700 20 30 BCEDRO C=CCCC[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000172181110 365300276 /nfs/dbraw/zinc/30/02/76/365300276.db2.gz RXWAKAQLHAFTKZ-GFCCVEGCSA-N 1 0 226.320 0.790 20 30 BCEDRO COc1ccc(Cn2nnnc2C[NH3+])cc1C#N ZINC000575398501 365308798 /nfs/dbraw/zinc/30/87/98/365308798.db2.gz QJUIYQDBXGWXIB-UHFFFAOYSA-N 1 0 244.258 0.060 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000336674168 365349461 /nfs/dbraw/zinc/34/94/61/365349461.db2.gz KBIYTXUCPNCIMO-GHMZBOCLSA-N 1 0 247.360 0.338 20 30 BCEDRO COCC#CC[NH2+][C@H](C)c1cnn(C)c1 ZINC000379948787 541459883 /nfs/dbraw/zinc/45/98/83/541459883.db2.gz SCBQDBSTWGVASJ-SNVBAGLBSA-N 1 0 207.277 0.721 20 30 BCEDRO CCOC(=O)[C@@H]1CCCN1CCOCCC#N ZINC000339096403 365448094 /nfs/dbraw/zinc/44/80/94/365448094.db2.gz SXFGMORVHNRTJL-NSHDSACASA-N 1 0 240.303 0.944 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CO)[C@@H](C)CCC ZINC000576044411 365460663 /nfs/dbraw/zinc/46/06/63/365460663.db2.gz SHSFHZXOHNDYEW-QWRGUYRKSA-N 1 0 228.336 0.675 20 30 BCEDRO CC(C)COC[C@@H](O)C[NH2+][C@@H](C)CC#N ZINC000068610838 370817708 /nfs/dbraw/zinc/81/77/08/370817708.db2.gz AUPFGBDRYMINBT-QWRGUYRKSA-N 1 0 214.309 0.912 20 30 BCEDRO C[C@H](C#N)CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000182652246 366927749 /nfs/dbraw/zinc/92/77/49/366927749.db2.gz KIKLVYGNGFNZFG-MNOVXSKESA-N 1 0 238.335 0.787 20 30 BCEDRO C=CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000579729440 366995037 /nfs/dbraw/zinc/99/50/37/366995037.db2.gz HLCMVHPZULINQM-UHFFFAOYSA-N 1 0 236.319 0.703 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@]2(CO)CCOC2)cc1 ZINC000184186133 367067648 /nfs/dbraw/zinc/06/76/48/367067648.db2.gz GICCDUCAUJKLSJ-CYBMUJFWSA-N 1 0 232.283 0.799 20 30 BCEDRO C#CC[C@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368569831 367113214 /nfs/dbraw/zinc/11/32/14/367113214.db2.gz XZGULOCVOBYULP-HBNTYKKESA-N 1 0 208.305 0.903 20 30 BCEDRO CCNC(NCC1[C@H]2COC[C@@H]12)=[NH+]CC ZINC000367501604 367084997 /nfs/dbraw/zinc/08/49/97/367084997.db2.gz ZUOPCQOPQZHFGH-PBINXNQUSA-N 1 0 211.309 0.454 20 30 BCEDRO CC[N@H+](CCCC(=O)NC)C[C@H](C)C#N ZINC000068818386 370851365 /nfs/dbraw/zinc/85/13/65/370851365.db2.gz LAKXSGDTHUTPAA-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cnccc2C#N)C1 ZINC000258884687 370857841 /nfs/dbraw/zinc/85/78/41/370857841.db2.gz GRJJQFDBXRKLLU-JTQLQIEISA-N 1 0 244.298 0.635 20 30 BCEDRO C[NH+](C)[C@H](CNc1ncncc1C#N)C1CC1 ZINC000580889898 367197593 /nfs/dbraw/zinc/19/75/93/367197593.db2.gz UUWJGHVZTZDSQS-LLVKDONJSA-N 1 0 231.303 0.522 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1cccc(C#N)n1 ZINC000258917917 370859354 /nfs/dbraw/zinc/85/93/54/370859354.db2.gz IGRADCDPIPTYCE-UHFFFAOYSA-N 1 0 232.287 0.635 20 30 BCEDRO CC(=O)N1CC([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000581083524 367259774 /nfs/dbraw/zinc/25/97/74/367259774.db2.gz YSZCXNSWKVXNGW-VHSXEESVSA-N 1 0 207.277 0.499 20 30 BCEDRO CC(=O)N1CC([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000581083525 367260903 /nfs/dbraw/zinc/26/09/03/367260903.db2.gz YSZCXNSWKVXNGW-ZJUUUORDSA-N 1 0 207.277 0.499 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)CCOCC ZINC000581191128 367289810 /nfs/dbraw/zinc/28/98/10/367289810.db2.gz MBGJXWMTSUBKIN-GHMZBOCLSA-N 1 0 217.309 0.301 20 30 BCEDRO C#C[C@@H]([NH2+][C@H]1CCN(CCOC)C1)C(C)C ZINC000381791028 367457946 /nfs/dbraw/zinc/45/79/46/367457946.db2.gz ZVJICOKZKLAEFW-QWHCGFSZSA-N 1 0 224.348 0.955 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCN(CCOC)C1)C(C)C ZINC000381791033 367458199 /nfs/dbraw/zinc/45/81/99/367458199.db2.gz ZVJICOKZKLAEFW-STQMWFEESA-N 1 0 224.348 0.955 20 30 BCEDRO C#C[C@@H]([NH2+][C@@H]1CCN(CCOC)C1)C(C)C ZINC000381791014 367458567 /nfs/dbraw/zinc/45/85/67/367458567.db2.gz ZVJICOKZKLAEFW-CHWSQXEVSA-N 1 0 224.348 0.955 20 30 BCEDRO C=C(C)C[N@@H+](CC)C[C@@](C)(O)C(=O)OC ZINC000382526883 367533142 /nfs/dbraw/zinc/53/31/42/367533142.db2.gz BKQUVKDQNXPYRQ-LLVKDONJSA-N 1 0 215.293 0.808 20 30 BCEDRO CCC1([NH2+]CC(=O)NCC#N)CCCC1 ZINC000382571256 367541663 /nfs/dbraw/zinc/54/16/63/367541663.db2.gz QJYRPCWVDANIAO-UHFFFAOYSA-N 1 0 209.293 0.939 20 30 BCEDRO C=CCNC(=O)[C@H](C)SCC[NH2+]C ZINC000382665579 367552299 /nfs/dbraw/zinc/55/22/99/367552299.db2.gz YQUALQDOTHPZLG-QMMMGPOBSA-N 1 0 202.323 0.630 20 30 BCEDRO C#CCN1CCN(c2ncncc2C#N)CC1 ZINC000383610205 367645147 /nfs/dbraw/zinc/64/51/47/367645147.db2.gz FDCJGSQNWPSGMS-UHFFFAOYSA-N 1 0 227.271 0.103 20 30 BCEDRO N#Cc1cccc(CC[NH2+]CCC(N)=O)c1 ZINC000566064078 325989171 /nfs/dbraw/zinc/98/91/71/325989171.db2.gz YJLACQVCLVCPHF-UHFFFAOYSA-N 1 0 217.272 0.566 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000385829177 367867991 /nfs/dbraw/zinc/86/79/91/367867991.db2.gz SXYRSRQDDPPPQY-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CCC(=O)OCC)C(C)C ZINC000385540221 367842501 /nfs/dbraw/zinc/84/25/01/367842501.db2.gz LKYKQFLQTUVVMS-RYUDHWBXSA-N 1 0 241.331 0.938 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000386407932 367963031 /nfs/dbraw/zinc/96/30/31/367963031.db2.gz WIVQFHJUGNZLJB-NSHDSACASA-N 1 0 239.319 0.157 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H](C)[C@@H](C)O)nn1 ZINC000581938904 367966081 /nfs/dbraw/zinc/96/60/81/367966081.db2.gz AQSFPRBYSSUXAE-DTWKUNHWSA-N 1 0 210.281 0.323 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC(C)C)CC1 ZINC000060580258 368548014 /nfs/dbraw/zinc/54/80/14/368548014.db2.gz SLVUIKRARPEICQ-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C[N@H+](CCNC(=O)CSCC#N)C1CC1 ZINC000063117685 368580587 /nfs/dbraw/zinc/58/05/87/368580587.db2.gz KOLNXWQFEURRSQ-UHFFFAOYSA-N 1 0 227.333 0.454 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+](C)CC(C)C ZINC000065961546 368637303 /nfs/dbraw/zinc/63/73/03/368637303.db2.gz GJFZWNJWUACTOT-JTQLQIEISA-N 1 0 241.335 0.975 20 30 BCEDRO CCc1nc(CCNC(=[NH2+])NC)cs1 ZINC000066246038 368642535 /nfs/dbraw/zinc/64/25/35/368642535.db2.gz RNXWJHACUVEXGF-UHFFFAOYSA-N 1 0 212.322 0.782 20 30 BCEDRO COCCN(CC#N)C(=O)[C@H]1CCC[N@@H+]1C ZINC000457187608 203015677 /nfs/dbraw/zinc/01/56/77/203015677.db2.gz ZQTXSBMHZVLYQO-SNVBAGLBSA-N 1 0 225.292 0.079 20 30 BCEDRO C=CCNC(=[NH+]C)N1CCC(C(=O)OC)CC1 ZINC000073628400 368812017 /nfs/dbraw/zinc/81/20/17/368812017.db2.gz ABQMHOKRFPVCNB-UHFFFAOYSA-N 1 0 239.319 0.633 20 30 BCEDRO N#CCCCC[N@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000074316582 368837239 /nfs/dbraw/zinc/83/72/39/368837239.db2.gz OEAKRCLPVRSIRX-SNVBAGLBSA-N 1 0 245.348 0.433 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@@]2(CNC(=O)C2)C1 ZINC000072829311 368781288 /nfs/dbraw/zinc/78/12/88/368781288.db2.gz FLTZTAFAZRQBEP-GFCCVEGCSA-N 1 0 221.304 0.892 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000615961103 368795448 /nfs/dbraw/zinc/79/54/48/368795448.db2.gz PZEZGMWJADPHOZ-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000616099802 368950298 /nfs/dbraw/zinc/95/02/98/368950298.db2.gz IMUVFNYUPCAKJX-JTQLQIEISA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000616185063 369018144 /nfs/dbraw/zinc/01/81/44/369018144.db2.gz RYXXISTUMNZZPE-NSHDSACASA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@H](C)[NH+](C)C ZINC000459047400 203226077 /nfs/dbraw/zinc/22/60/77/203226077.db2.gz WEIPVVLQBNTHGS-NSHDSACASA-N 1 0 243.351 0.781 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000459084867 203231954 /nfs/dbraw/zinc/23/19/54/203231954.db2.gz UUFDNVIPMUQMQC-LBPRGKRZSA-N 1 0 241.335 0.318 20 30 BCEDRO N#C[C@@H]1CCC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000459478807 203286912 /nfs/dbraw/zinc/28/69/12/203286912.db2.gz NKJBUYYVDACGML-QWHCGFSZSA-N 1 0 237.347 0.991 20 30 BCEDRO C[C@@H]1CN(CC[NH2+][C@H]2CCC[C@@H]2C#N)CCO1 ZINC000459489230 203291890 /nfs/dbraw/zinc/29/18/90/203291890.db2.gz XKNMMQGRCQIBKU-UPJWGTAASA-N 1 0 237.347 0.989 20 30 BCEDRO C[NH+]1CC2(C1)CCN(C(=O)CSCC#N)C2 ZINC000619251863 369308640 /nfs/dbraw/zinc/30/86/40/369308640.db2.gz SQUKSXSMZGAHJU-UHFFFAOYSA-N 1 0 239.344 0.407 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[NH+](CCCF)CC1 ZINC000402596916 369387710 /nfs/dbraw/zinc/38/77/10/369387710.db2.gz MISGTGRLMYHTLP-LLVKDONJSA-N 1 0 244.310 0.691 20 30 BCEDRO Cc1nnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c(C#N)c1C ZINC000107571733 369353907 /nfs/dbraw/zinc/35/39/07/369353907.db2.gz IPQQKDYYLHSBDJ-GHMZBOCLSA-N 1 0 243.314 0.621 20 30 BCEDRO CN(c1cncc(C#N)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000401438603 369364085 /nfs/dbraw/zinc/36/40/85/369364085.db2.gz YVSKCCAILZUICF-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO CC[N@@H+]1CCCN(c2nccnc2C#N)CC1 ZINC000301295427 369371352 /nfs/dbraw/zinc/37/13/52/369371352.db2.gz YEYBCBYXGKZZBN-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO CO[C@@]1(CO)CCC[N@H+](CCCC#N)C1 ZINC000401774989 369371532 /nfs/dbraw/zinc/37/15/32/369371532.db2.gz MCOOVHYQIDFESC-NSHDSACASA-N 1 0 212.293 0.763 20 30 BCEDRO C[N@H+](CCO)CCOc1ccc(C#N)cc1 ZINC000037855274 369475711 /nfs/dbraw/zinc/47/57/11/369475711.db2.gz URFZXTIHXIPNRL-UHFFFAOYSA-N 1 0 220.272 0.861 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000619568643 369481036 /nfs/dbraw/zinc/48/10/36/369481036.db2.gz NZJKQSQOASRMIL-GHMZBOCLSA-N 1 0 236.319 0.636 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000619568646 369481281 /nfs/dbraw/zinc/48/12/81/369481281.db2.gz NZJKQSQOASRMIL-WDEREUQCSA-N 1 0 236.319 0.636 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]21 ZINC000600000054 369498998 /nfs/dbraw/zinc/49/89/98/369498998.db2.gz LSIHZIWGHIAOBR-GDNZZTSVSA-N 1 0 244.298 0.518 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@H]([NH3+])C[C@@H]2C)C1=O ZINC000631862296 369504862 /nfs/dbraw/zinc/50/48/62/369504862.db2.gz NUULVFJLJOPOJF-AXFHLTTASA-N 1 0 223.320 0.195 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCOC[C@H]1C#N ZINC000260198196 370983471 /nfs/dbraw/zinc/98/34/71/370983471.db2.gz WZIWCVUCIARBDJ-MNOVXSKESA-N 1 0 237.303 0.222 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000260218468 370984274 /nfs/dbraw/zinc/98/42/74/370984274.db2.gz WEYYGIPLGQIKEX-QWRGUYRKSA-N 1 0 223.320 0.946 20 30 BCEDRO N#Cc1csc(C[NH+](CCO)CCO)c1 ZINC000600178738 369512520 /nfs/dbraw/zinc/51/25/20/369512520.db2.gz FDMRWYUNOPTIKJ-UHFFFAOYSA-N 1 0 226.301 0.406 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)[C@@H]1CN(C)CCO1 ZINC000619673119 369520976 /nfs/dbraw/zinc/52/09/76/369520976.db2.gz WKRJLVNMRFFIMV-RVMXOQNASA-N 1 0 237.347 0.987 20 30 BCEDRO CN(CCC[NH+](C)C)c1ncncc1C#N ZINC000304495752 369521452 /nfs/dbraw/zinc/52/14/52/369521452.db2.gz SJQYGFSKYWZPGQ-UHFFFAOYSA-N 1 0 219.292 0.736 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@](O)(CC)C1 ZINC000619721834 369552275 /nfs/dbraw/zinc/55/22/75/369552275.db2.gz IZJBPJWNPNAMGO-GXSJLCMTSA-N 1 0 213.277 0.561 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)CC1(CO)CC1 ZINC000619722115 369552326 /nfs/dbraw/zinc/55/23/26/369552326.db2.gz JQXLNFNYJSQKNE-SECBINFHSA-N 1 0 213.277 0.418 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@@](O)(CC)C1 ZINC000619721837 369552640 /nfs/dbraw/zinc/55/26/40/369552640.db2.gz IZJBPJWNPNAMGO-ONGXEEELSA-N 1 0 213.277 0.561 20 30 BCEDRO N#Cc1ccc(CN2CCO[C@@H](C[NH3+])C2)o1 ZINC000600767591 369560875 /nfs/dbraw/zinc/56/08/75/369560875.db2.gz BNFYLQBHIRBEEL-NSHDSACASA-N 1 0 221.260 0.311 20 30 BCEDRO C[C@@H]([NH3+])[C@H]1CN(Cc2ccc(C#N)o2)CCO1 ZINC000600769036 369562699 /nfs/dbraw/zinc/56/26/99/369562699.db2.gz KCMWGHCLRBFPPS-BXKDBHETSA-N 1 0 235.287 0.699 20 30 BCEDRO N#Cc1ccc(CNC[C@@H]2CCC[NH2+]2)o1 ZINC000600767213 369563346 /nfs/dbraw/zinc/56/33/46/369563346.db2.gz AAIIMDIPHXIRKM-VIFPVBQESA-N 1 0 205.261 0.993 20 30 BCEDRO N#Cc1ccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)o1 ZINC000600768857 369563499 /nfs/dbraw/zinc/56/34/99/369563499.db2.gz HELZTHQGYAXFFT-URLYPYJESA-N 1 0 203.245 0.459 20 30 BCEDRO N#Cc1ccc(CN2CCOC3(C[NH2+]C3)C2)o1 ZINC000600768221 369564460 /nfs/dbraw/zinc/56/44/60/369564460.db2.gz DZUAWAGQWYNZRA-UHFFFAOYSA-N 1 0 233.271 0.325 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NCc1ccc(C#N)o1 ZINC000600775240 369565945 /nfs/dbraw/zinc/56/59/45/369565945.db2.gz SSMNIWXJZAJTLS-GZMMTYOYSA-N 1 0 205.261 0.991 20 30 BCEDRO N#Cc1cncnc1N1CCC[C@@H]2C[NH2+]CC[C@H]21 ZINC000600885321 369571773 /nfs/dbraw/zinc/57/17/73/369571773.db2.gz QESOTADUGDHQMA-ZYHUDNBSSA-N 1 0 243.314 0.927 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CN1Cc1ccncc1C#N ZINC000601329584 369620265 /nfs/dbraw/zinc/62/02/65/369620265.db2.gz KMWFNRCPIKLYFO-CABZTGNLSA-N 1 0 216.288 0.875 20 30 BCEDRO N#Cc1cc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)ncn1 ZINC000600963700 369581141 /nfs/dbraw/zinc/58/11/41/369581141.db2.gz YTFFKBCCXOZHQN-DTORHVGOSA-N 1 0 215.260 0.289 20 30 BCEDRO N#Cc1cnccc1CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000601327436 369621169 /nfs/dbraw/zinc/62/11/69/369621169.db2.gz QCCRLKXIGKYIDJ-RYUDHWBXSA-N 1 0 214.272 0.499 20 30 BCEDRO N#Cc1ccc(N2CC([NH+]3CCCC3)C2)nn1 ZINC000601193528 369604923 /nfs/dbraw/zinc/60/49/23/369604923.db2.gz JLFQCRVOBVSFBJ-UHFFFAOYSA-N 1 0 229.287 0.633 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000619899909 369632766 /nfs/dbraw/zinc/63/27/66/369632766.db2.gz ULGMQVGRRZNTCS-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCCOCC(=O)N1CCC[N@@H+](C)CC1 ZINC000620159402 369754132 /nfs/dbraw/zinc/75/41/32/369754132.db2.gz KEBPYEMGBVTBAW-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000620207533 369767094 /nfs/dbraw/zinc/76/70/94/369767094.db2.gz ZDEUXVQNAPMQIH-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO N#Cc1cc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)ncn1 ZINC000601979839 369728791 /nfs/dbraw/zinc/72/87/91/369728791.db2.gz DBJFPKZVDFWYLO-PWSUYJOCSA-N 1 0 243.314 0.927 20 30 BCEDRO N#Cc1nccc(N2CCC3(CC[NH2+]C3)CC2)n1 ZINC000601980067 369729499 /nfs/dbraw/zinc/72/94/99/369729499.db2.gz CSUHLPNDVYKKEM-UHFFFAOYSA-N 1 0 243.314 0.928 20 30 BCEDRO N#Cc1nccc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1 ZINC000601979995 369730370 /nfs/dbraw/zinc/73/03/70/369730370.db2.gz ALTDFBHOVAKGEV-AOOOYVTPSA-N 1 0 229.287 0.679 20 30 BCEDRO N#Cc1nccc(N2CCC[C@H]3C[NH2+]CC[C@H]32)n1 ZINC000601984581 369730810 /nfs/dbraw/zinc/73/08/10/369730810.db2.gz SLCTXNWWLPDYPV-WDEREUQCSA-N 1 0 243.314 0.927 20 30 BCEDRO N#Cc1cc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)ncn1 ZINC000601979840 369731148 /nfs/dbraw/zinc/73/11/48/369731148.db2.gz DBJFPKZVDFWYLO-ZYHUDNBSSA-N 1 0 243.314 0.927 20 30 BCEDRO CCc1nc(C#N)cc(N2CC[C@@H](F)[C@H]([NH3+])C2)n1 ZINC000601983314 369732074 /nfs/dbraw/zinc/73/20/74/369732074.db2.gz NKAXADWPGZIGTD-NXEZZACHSA-N 1 0 249.293 0.786 20 30 BCEDRO C[C@]1(F)C[NH2+]CCN(c2cc(C#N)ncn2)C1 ZINC000601980538 369732212 /nfs/dbraw/zinc/73/22/12/369732212.db2.gz MTZZSPHALVLDRN-NSHDSACASA-N 1 0 235.266 0.486 20 30 BCEDRO N#Cc1nccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)n1 ZINC000601981275 369732277 /nfs/dbraw/zinc/73/22/77/369732277.db2.gz UPVNVTRJCBCWOU-NXEZZACHSA-N 1 0 229.287 0.536 20 30 BCEDRO COCCOCC[NH2+]Cc1cccc(C#N)n1 ZINC000602520087 369802217 /nfs/dbraw/zinc/80/22/17/369802217.db2.gz CYHOODCKJRMMGC-UHFFFAOYSA-N 1 0 235.287 0.706 20 30 BCEDRO C[C@@]1(NC(=O)Cc2ccc(C#N)nc2)CC[NH2+]C1 ZINC000602528102 369806835 /nfs/dbraw/zinc/80/68/35/369806835.db2.gz MUEPOGMOHJCWRN-CYBMUJFWSA-N 1 0 244.298 0.364 20 30 BCEDRO CN(CCOCC[NH3+])C(=O)c1ccc(C#N)cc1 ZINC000602552810 369812469 /nfs/dbraw/zinc/81/24/69/369812469.db2.gz XVBZEECPERTXER-UHFFFAOYSA-N 1 0 247.298 0.606 20 30 BCEDRO CNC(=O)[C@@H]([NH2+]Cc1cccc(C#N)n1)C(C)C ZINC000602580246 369816221 /nfs/dbraw/zinc/81/62/21/369816221.db2.gz FRTMEVOHHGRDNF-LBPRGKRZSA-N 1 0 246.314 0.813 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)Cc1ccc(C#N)nc1 ZINC000602574737 369816410 /nfs/dbraw/zinc/81/64/10/369816410.db2.gz YWYIGDPXTGORPH-JOYOIKCWSA-N 1 0 244.298 0.362 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@@]2(O)CCOC2)n1 ZINC000602581249 369818763 /nfs/dbraw/zinc/81/87/63/369818763.db2.gz GSQYMOROEQBCES-LBPRGKRZSA-N 1 0 233.271 0.194 20 30 BCEDRO C[C@]1(C[NH2+]Cc2cccc(C#N)n2)CCC(=O)N1 ZINC000602688389 369840970 /nfs/dbraw/zinc/84/09/70/369840970.db2.gz RUPQPGKZTPWUMJ-CYBMUJFWSA-N 1 0 244.298 0.712 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@]2(CO)CCOC2)n1 ZINC000602611545 369829249 /nfs/dbraw/zinc/82/92/49/369829249.db2.gz FSBLCQKINJMAIP-GFCCVEGCSA-N 1 0 233.271 0.194 20 30 BCEDRO COC[C@H](CO)[NH2+]Cc1cccc(C#N)n1 ZINC000602637924 369832526 /nfs/dbraw/zinc/83/25/26/369832526.db2.gz KEHSTCQBHHBZTA-NSHDSACASA-N 1 0 221.260 0.050 20 30 BCEDRO CO[C@@](C)(C[NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC000602655593 369835020 /nfs/dbraw/zinc/83/50/20/369835020.db2.gz PXVPUSYZWUWXLR-LBPRGKRZSA-N 1 0 249.318 0.554 20 30 BCEDRO COCC1(C[NH2+]CCn2cnc(C#N)n2)CCC1 ZINC000602652281 369835465 /nfs/dbraw/zinc/83/54/65/369835465.db2.gz CAVYPNNETVDWSL-UHFFFAOYSA-N 1 0 249.318 0.556 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CCC[C@@H](C(N)=O)C2)n1 ZINC000602423787 369785334 /nfs/dbraw/zinc/78/53/34/369785334.db2.gz GVBKNADXZSZTHN-SNVBAGLBSA-N 1 0 244.298 0.651 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@H](C(N)=O)C2)n1 ZINC000602427187 369785836 /nfs/dbraw/zinc/78/58/36/369785836.db2.gz DJHAFNYFGOJSLA-VIFPVBQESA-N 1 0 230.271 0.260 20 30 BCEDRO CC[NH2+]CCNC(=O)Cc1ccc(C#N)nc1 ZINC000602427143 369786577 /nfs/dbraw/zinc/78/65/77/369786577.db2.gz BXMSWJKCDGKWBC-UHFFFAOYSA-N 1 0 232.287 0.221 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(C#N)nc1 ZINC000602433477 369788663 /nfs/dbraw/zinc/78/86/63/369788663.db2.gz UHPJKGDETZGFGX-SNVBAGLBSA-N 1 0 244.298 0.316 20 30 BCEDRO N#Cc1cccc(CN2CC[C@H](NC(N)=O)C2)n1 ZINC000602494883 369795736 /nfs/dbraw/zinc/79/57/36/369795736.db2.gz QFGBHBRTSJONKV-NSHDSACASA-N 1 0 245.286 0.196 20 30 BCEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)Cc1ccc(C#N)nc1 ZINC000602490690 369796024 /nfs/dbraw/zinc/79/60/24/369796024.db2.gz FMANIXXUJZRUGZ-CABZTGNLSA-N 1 0 244.298 0.444 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@H](CO)CCF)n1 ZINC000602710096 369844210 /nfs/dbraw/zinc/84/42/10/369844210.db2.gz DKKINSGLFHXGFY-LLVKDONJSA-N 1 0 223.251 0.763 20 30 BCEDRO N#Cc1cccc(C[NH2+]C/C=C/CO)n1 ZINC000602709155 369844941 /nfs/dbraw/zinc/84/49/41/369844941.db2.gz GQPLUZDAARTFQL-OWOJBTEDSA-N 1 0 203.245 0.591 20 30 BCEDRO CC(=O)N1CC[C@@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000602713498 369846473 /nfs/dbraw/zinc/84/64/73/369846473.db2.gz CFXMHCTZOOQQBY-CYBMUJFWSA-N 1 0 244.298 0.664 20 30 BCEDRO COC(=O)[C@H]1C[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000602718018 369847748 /nfs/dbraw/zinc/84/77/48/369847748.db2.gz SXDOKWZAWZCEAL-OTCDBFHCSA-N 1 0 245.282 0.994 20 30 BCEDRO C[NH+](C)C1CN(C(=O)Nc2ccnc(C#N)c2)C1 ZINC000603131031 369894487 /nfs/dbraw/zinc/89/44/87/369894487.db2.gz IDNRAWXAJJSBCB-UHFFFAOYSA-N 1 0 245.286 0.731 20 30 BCEDRO N#Cc1ccc(F)c(Cn2cc(CC[NH3+])nn2)c1 ZINC000603195592 369896846 /nfs/dbraw/zinc/89/68/46/369896846.db2.gz XHFMSWQPYAOJPO-UHFFFAOYSA-N 1 0 245.261 0.838 20 30 BCEDRO C[NH+](C)[C@@H]1C[C@H](Nc2ncncc2C#N)C1(C)C ZINC000603399945 369949370 /nfs/dbraw/zinc/94/93/70/369949370.db2.gz FRKCSDUAVGYWKO-WDEREUQCSA-N 1 0 245.330 0.911 20 30 BCEDRO N#Cc1cn(Cc2nccn2C(F)F)nn1 ZINC000603333237 369926580 /nfs/dbraw/zinc/92/65/80/369926580.db2.gz KHQMEIFSNPVTFD-UHFFFAOYSA-N 1 0 224.174 0.790 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)COC1CC[NH2+]CC1 ZINC000111758649 370174388 /nfs/dbraw/zinc/17/43/88/370174388.db2.gz MBCUSIDKRVZLJL-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[NH2+]CC1CC1 ZINC000063093285 370131692 /nfs/dbraw/zinc/13/16/92/370131692.db2.gz JDCZBZNLOKJLES-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000310481232 370347427 /nfs/dbraw/zinc/34/74/27/370347427.db2.gz DWNHNGDANLSOLY-AAEUAGOBSA-N 1 0 238.331 0.742 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000310481236 370347657 /nfs/dbraw/zinc/34/76/57/370347657.db2.gz DWNHNGDANLSOLY-DGCLKSJQSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H]2CCC[C@]2([NH3+])C1 ZINC000621692263 370439998 /nfs/dbraw/zinc/43/99/98/370439998.db2.gz JQUFIQWDPGMFJZ-YPMHNXCESA-N 1 0 238.331 0.919 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCCSCC1 ZINC000161623873 370624941 /nfs/dbraw/zinc/62/49/41/370624941.db2.gz LJUKVQLKBFIRBG-UHFFFAOYSA-N 1 0 212.318 0.175 20 30 BCEDRO C=C(C)CN(CC)c1nc(N)[nH+]c(N)n1 ZINC000623843460 371123834 /nfs/dbraw/zinc/12/38/34/371123834.db2.gz MDGQTDQDGAWGSJ-UHFFFAOYSA-N 1 0 208.269 0.099 20 30 BCEDRO C[C@H](CC#N)[NH2+]CCCN1CCCC1=O ZINC000389993638 371184752 /nfs/dbraw/zinc/18/47/52/371184752.db2.gz PMEYHAAEUHXONQ-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C[N@H+](CCO)C[C@@H](O)c1ccc(C#N)cc1 ZINC000037899287 371287929 /nfs/dbraw/zinc/28/79/29/371287929.db2.gz XYBPZRKWCBQNGC-GFCCVEGCSA-N 1 0 220.272 0.516 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1occc1C ZINC000164478308 326413329 /nfs/dbraw/zinc/41/33/29/326413329.db2.gz WZIJQKVFTXKEIG-UHFFFAOYSA-N 1 0 220.272 0.817 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000624230188 371418317 /nfs/dbraw/zinc/41/83/17/371418317.db2.gz PZSBAPPLAXFPCD-VXGBXAGGSA-N 1 0 212.337 0.997 20 30 BCEDRO C=CCC[C@H](C)[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000624250849 371436545 /nfs/dbraw/zinc/43/65/45/371436545.db2.gz CSGXTFMABHTYQB-QWRGUYRKSA-N 1 0 226.320 0.917 20 30 BCEDRO O=C(C#Cc1ccccc1)N[C@H]1CC[NH2+]C1 ZINC000052093062 181852714 /nfs/dbraw/zinc/85/27/14/181852714.db2.gz GRJHDWJZQFBBBO-LBPRGKRZSA-N 1 0 214.268 0.516 20 30 BCEDRO C#C[C@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000229532148 372161289 /nfs/dbraw/zinc/16/12/89/372161289.db2.gz MSQNQQXUQLCOHJ-IUCAKERBSA-N 1 0 201.291 0.175 20 30 BCEDRO CC(C)(CCC#N)C[NH2+]C[C@@](C)(O)CO ZINC000229698480 372182207 /nfs/dbraw/zinc/18/22/07/372182207.db2.gz GMYAVKPVFXLDOI-LLVKDONJSA-N 1 0 214.309 0.649 20 30 BCEDRO C[C@@H](CNC(=O)CSCC#N)[N@H+](C)C1CC1 ZINC000171106158 372313148 /nfs/dbraw/zinc/31/31/48/372313148.db2.gz PBQIIUFECUDWHT-VIFPVBQESA-N 1 0 241.360 0.842 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CCCS(=O)(=O)NC ZINC000631710708 372517169 /nfs/dbraw/zinc/51/71/69/372517169.db2.gz RBJMOZSEAIZEOG-JTQLQIEISA-N 1 0 234.365 0.870 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000631756387 372559740 /nfs/dbraw/zinc/55/97/40/372559740.db2.gz PGIYFCSCNPKMHK-SNVBAGLBSA-N 1 0 236.319 0.749 20 30 BCEDRO C=CCNC(=O)CN[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000631869231 372672135 /nfs/dbraw/zinc/67/21/35/372672135.db2.gz IPLPTKKKCOSGAQ-PWSUYJOCSA-N 1 0 223.320 0.020 20 30 BCEDRO C=C1CCN(S(=O)(=O)CCC[NH+](C)C)CC1 ZINC000631923425 372695043 /nfs/dbraw/zinc/69/50/43/372695043.db2.gz ATZWDJNANJZXRN-UHFFFAOYSA-N 1 0 246.376 0.920 20 30 BCEDRO C=C1CC(C)(C(=O)N[C@@H](CO)C[NH+](C)C)C1 ZINC000633074045 373285537 /nfs/dbraw/zinc/28/55/37/373285537.db2.gz ZWXRBMSMOHYXBM-SNVBAGLBSA-N 1 0 226.320 0.381 20 30 BCEDRO CC[C@H](COC)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424087286 206029860 /nfs/dbraw/zinc/02/98/60/206029860.db2.gz RGJNRAICWRUSOZ-NXEZZACHSA-N 1 0 227.308 0.549 20 30 BCEDRO CC(C)[C@H](O)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424131320 206033692 /nfs/dbraw/zinc/03/36/92/206033692.db2.gz UTTUJBYVGPKGGB-WDEREUQCSA-N 1 0 241.335 0.531 20 30 BCEDRO C=CCOCC(=O)NC(C)(C)C[NH+](C)C ZINC000457209962 206120126 /nfs/dbraw/zinc/12/01/26/206120126.db2.gz PNMGGACUUBLSLY-UHFFFAOYSA-N 1 0 214.309 0.645 20 30 BCEDRO CC[N@H+](CC(=O)N(CC#N)CCOC)C1CC1 ZINC000457206988 206120993 /nfs/dbraw/zinc/12/09/93/206120993.db2.gz UBDPEODLDRTCMS-UHFFFAOYSA-N 1 0 239.319 0.469 20 30 BCEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459701858 206138322 /nfs/dbraw/zinc/13/83/22/206138322.db2.gz QQHCGOSCMROCJT-SRVKXCTJSA-N 1 0 238.335 0.829 20 30 BCEDRO C[NH+]=C(NCC1CC1)N1CCO[C@@H](COC)C1 ZINC000179259252 134319081 /nfs/dbraw/zinc/31/90/81/134319081.db2.gz NEUFPSPFPKTTFY-LLVKDONJSA-N 1 0 241.335 0.319 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000566193403 383825035 /nfs/dbraw/zinc/82/50/35/383825035.db2.gz WRJUUEBVTSUDQF-IVZWLZJFSA-N 1 0 229.324 0.348 20 30 BCEDRO CO[C@@H]1C[N@H+](Cc2cccc(C#N)c2)C[C@H]1O ZINC000395345111 383888761 /nfs/dbraw/zinc/88/87/61/383888761.db2.gz AMKWSTRXOOSOFS-CHWSQXEVSA-N 1 0 232.283 0.750 20 30 BCEDRO C=CC[C@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188591022 383987530 /nfs/dbraw/zinc/98/75/30/383987530.db2.gz HBSFZUYEUOMPID-QMMMGPOBSA-N 1 0 234.303 0.750 20 30 BCEDRO C=CC[C@@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000188591045 383987880 /nfs/dbraw/zinc/98/78/80/383987880.db2.gz HBSFZUYEUOMPID-MRVPVSSYSA-N 1 0 234.303 0.750 20 30 BCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)C1CCC1 ZINC000285580056 384020432 /nfs/dbraw/zinc/02/04/32/384020432.db2.gz HBXGEBSDCVFYQP-VIFPVBQESA-N 1 0 219.292 0.928 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cncnc1OC ZINC000647215480 384003797 /nfs/dbraw/zinc/00/37/97/384003797.db2.gz VXMKIOTWSRAPJH-MNOVXSKESA-N 1 0 235.287 0.918 20 30 BCEDRO Cc1ccoc1C[NH2+]CCn1cnc(C#N)n1 ZINC000285566381 384011672 /nfs/dbraw/zinc/01/16/72/384011672.db2.gz RZWMGQCRVSYXCM-UHFFFAOYSA-N 1 0 231.259 0.841 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000646880700 384014480 /nfs/dbraw/zinc/01/44/80/384014480.db2.gz ZCPAMTQZOHNMGF-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO C=C(Br)CNC(=O)[C@@H](C)[NH3+] ZINC000155896759 384053720 /nfs/dbraw/zinc/05/37/20/384053720.db2.gz UQIOFPPIRXMMPO-RXMQYKEDSA-N 1 0 207.071 0.358 20 30 BCEDRO CO[C@@H](C)[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000569449664 384053712 /nfs/dbraw/zinc/05/37/12/384053712.db2.gz OOIOJAFMMYOMAQ-GRYCIOLGSA-N 1 0 243.351 0.206 20 30 BCEDRO C=CCn1cc(C(=O)N2CC[NH2+][C@@H](C)[C@@H]2C)nn1 ZINC000648127961 384058083 /nfs/dbraw/zinc/05/80/83/384058083.db2.gz UEJDJZRZFQBAMO-UWVGGRQHSA-N 1 0 249.318 0.287 20 30 BCEDRO C#CCC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000363460476 384061756 /nfs/dbraw/zinc/06/17/56/384061756.db2.gz DUUCZEYPZXCGJL-LBPRGKRZSA-N 1 0 208.305 0.416 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C)[C@@H](N2CCOCC2)C1 ZINC000363466032 384070576 /nfs/dbraw/zinc/07/05/76/384070576.db2.gz AQWBIORXWQOHQG-OLZOCXBDSA-N 1 0 222.332 0.662 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000646882420 384071945 /nfs/dbraw/zinc/07/19/45/384071945.db2.gz QSYTYHTXNJWPLW-QWRGUYRKSA-N 1 0 226.320 0.334 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000646882418 384072053 /nfs/dbraw/zinc/07/20/53/384072053.db2.gz QSYTYHTXNJWPLW-GHMZBOCLSA-N 1 0 226.320 0.334 20 30 BCEDRO C=C[C@H](C)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000643704052 384079501 /nfs/dbraw/zinc/07/95/01/384079501.db2.gz IZOZQXAMWMCBIR-UWVGGRQHSA-N 1 0 249.318 0.507 20 30 BCEDRO C=CCCC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000304241462 384099316 /nfs/dbraw/zinc/09/93/16/384099316.db2.gz NVBGXEGBNXJTAN-UHFFFAOYSA-N 1 0 244.316 0.983 20 30 BCEDRO C=CCNC(=O)C[NH2+]CCCc1cnn(C)c1 ZINC000314590633 384173093 /nfs/dbraw/zinc/17/30/93/384173093.db2.gz WXMIYLSFNFYJCY-UHFFFAOYSA-N 1 0 236.319 0.245 20 30 BCEDRO C=CCn1cc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)nn1 ZINC000648137912 384160065 /nfs/dbraw/zinc/16/00/65/384160065.db2.gz TVLSCSVLRHVCEH-IUCAKERBSA-N 1 0 235.291 0.026 20 30 BCEDRO C#CCCNC(=[NH+]C)N(C)C[C@H]1CCOC1 ZINC000261645557 533044268 /nfs/dbraw/zinc/04/42/68/533044268.db2.gz LSPXGVPVNLNDMC-LLVKDONJSA-N 1 0 223.320 0.553 20 30 BCEDRO C#CCC[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000376809775 533046980 /nfs/dbraw/zinc/04/69/80/533046980.db2.gz BSWVSRJJZPRREH-UHFFFAOYSA-N 1 0 211.261 0.010 20 30 BCEDRO C#CCCN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000364849649 533049399 /nfs/dbraw/zinc/04/93/99/533049399.db2.gz NAHQHBRPJRPSGN-UONOGXRCSA-N 1 0 236.359 0.931 20 30 BCEDRO C#CCC[N@@H+]1CCC[C@H]1Cn1cncn1 ZINC000371206308 533050496 /nfs/dbraw/zinc/05/04/96/533050496.db2.gz FMNWODPNYGXMSM-NSHDSACASA-N 1 0 204.277 0.766 20 30 BCEDRO Cn1cc(C[NH2+]C2(C(N)=O)CC2)cc1C#N ZINC000336701185 384253781 /nfs/dbraw/zinc/25/37/81/384253781.db2.gz NXOFSQWUCBWNDO-UHFFFAOYSA-N 1 0 218.260 0.004 20 30 BCEDRO CC[N@H+](C)CCNc1nccnc1C#N ZINC000054378418 384278786 /nfs/dbraw/zinc/27/87/86/384278786.db2.gz FTZWUZIARRRGIS-UHFFFAOYSA-N 1 0 205.265 0.712 20 30 BCEDRO C=CCNC(=O)CN[C@H]1C[C@H]([NH3+])C1(C)C ZINC000405410252 384295625 /nfs/dbraw/zinc/29/56/25/384295625.db2.gz TXYHGTYMHAAFFY-IUCAKERBSA-N 1 0 211.309 0.004 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](C(=O)N2CCCC2)C1 ZINC000490650575 384298052 /nfs/dbraw/zinc/29/80/52/384298052.db2.gz NZEXXVGQVWHSCX-LBPRGKRZSA-N 1 0 220.316 0.954 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000035247634 384301374 /nfs/dbraw/zinc/30/13/74/384301374.db2.gz NBVCAOUGCXJGEQ-GARJFASQSA-N 1 0 226.320 0.834 20 30 BCEDRO C[C@@H]1C[N@@H+]2CCCC[C@@H]2CN1C(=O)CC#N ZINC000094447214 384302619 /nfs/dbraw/zinc/30/26/19/384302619.db2.gz HTOZGFXAKSYGCG-GHMZBOCLSA-N 1 0 221.304 0.985 20 30 BCEDRO C=CCn1cc(CNC2CSC2)nn1 ZINC000644904690 384337062 /nfs/dbraw/zinc/33/70/62/384337062.db2.gz JLGCOWGCMSLFPF-UHFFFAOYSA-N 1 0 210.306 0.669 20 30 BCEDRO N#CCCN(CCCS(N)(=O)=O)CC1CC1 ZINC000081515242 384341220 /nfs/dbraw/zinc/34/12/20/384341220.db2.gz BQPVPBXDNASPNU-UHFFFAOYSA-N 1 0 245.348 0.291 20 30 BCEDRO C[C@H](CO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600738354 384432252 /nfs/dbraw/zinc/43/22/52/384432252.db2.gz JXLXQBOWXNAPHL-UWVGGRQHSA-N 1 0 212.293 0.259 20 30 BCEDRO C#CCCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000368103739 533065346 /nfs/dbraw/zinc/06/53/46/533065346.db2.gz YGGCFJSYPSKSNR-NWDGAFQWSA-N 1 0 220.316 0.762 20 30 BCEDRO C#CCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000308952006 533068613 /nfs/dbraw/zinc/06/86/13/533068613.db2.gz VMPCIUVXXGGRLU-ZYHUDNBSSA-N 1 0 206.289 0.657 20 30 BCEDRO CN(Cc1nccn1C)C(=O)C(C)(C)C#N ZINC000049086858 384521627 /nfs/dbraw/zinc/52/16/27/384521627.db2.gz LFIHORGYZZHQCY-UHFFFAOYSA-N 1 0 220.276 0.928 20 30 BCEDRO CC#CCN(CC)[C@@H]1CCS(=O)(=O)C1 ZINC000172743794 384522923 /nfs/dbraw/zinc/52/29/23/384522923.db2.gz JSOCKGQPWWYQKU-SNVBAGLBSA-N 1 0 215.318 0.519 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@@H](CO)C1 ZINC000363349604 384528517 /nfs/dbraw/zinc/52/85/17/384528517.db2.gz VYGYKRZODDLVDE-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCC(=O)NC(N)=O)cc1 ZINC000559282403 384531239 /nfs/dbraw/zinc/53/12/39/384531239.db2.gz QZQFDUASGPARBK-UHFFFAOYSA-N 1 0 246.270 0.233 20 30 BCEDRO C=CCN(CCOC)[C@H]1CCS(=O)(=O)C1 ZINC000183668094 384552083 /nfs/dbraw/zinc/55/20/83/384552083.db2.gz ONHDAJRFEOFDHN-JTQLQIEISA-N 1 0 233.333 0.308 20 30 BCEDRO C=CC1CC[NH+](CC2(CO)COC2)CC1 ZINC000151352686 384562257 /nfs/dbraw/zinc/56/22/57/384562257.db2.gz DABXHARVFBCIRN-UHFFFAOYSA-N 1 0 211.305 0.893 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000643069929 384590563 /nfs/dbraw/zinc/59/05/63/384590563.db2.gz ZNMWCOVPVLLLQZ-TUAOUCFPSA-N 1 0 237.347 0.361 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000491757708 384576347 /nfs/dbraw/zinc/57/63/47/384576347.db2.gz FKKQLOHWDSZMHE-GHMZBOCLSA-N 1 0 225.336 0.990 20 30 BCEDRO C=C(C)COCC[NH2+][C@@H](C)CS(C)(=O)=O ZINC000162336502 384606177 /nfs/dbraw/zinc/60/61/77/384606177.db2.gz DEWZMUXLXJYNFZ-JTQLQIEISA-N 1 0 235.349 0.602 20 30 BCEDRO C=C(C)CC[N@@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000528623955 384601809 /nfs/dbraw/zinc/60/18/09/384601809.db2.gz UOSKUHREEAYCNO-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO COCCC[N@@H+]1CCCN([C@H](C)C#N)CC1 ZINC000363667911 384666363 /nfs/dbraw/zinc/66/63/63/384666363.db2.gz ADDGQINBXCXZFM-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO CNC(NCCc1ccncc1C)=[NH+]C ZINC000162534731 384639665 /nfs/dbraw/zinc/63/96/65/384639665.db2.gz UZCGVNJKUXCOMZ-UHFFFAOYSA-N 1 0 206.293 0.727 20 30 BCEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)[C@@H](C)C#N ZINC000357787184 384648613 /nfs/dbraw/zinc/64/86/13/384648613.db2.gz GKEAFSLRNSSXAU-WDEREUQCSA-N 1 0 239.319 0.373 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@@H]2CCCO2)CC[C@H]1NCC#N ZINC000363712107 384724701 /nfs/dbraw/zinc/72/47/01/384724701.db2.gz IZRTZJHGDGZARU-FRRDWIJNSA-N 1 0 237.347 0.989 20 30 BCEDRO CO[C@H]1C[C@@H](C(=O)N(C)[C@H](C)CC#N)[N@H+](C)C1 ZINC000408042881 384724991 /nfs/dbraw/zinc/72/49/91/384724991.db2.gz UTDSYDHERGAIOM-VWYCJHECSA-N 1 0 239.319 0.466 20 30 BCEDRO Cc1cc(C#N)nc(NCC[NH+]2CCC2)n1 ZINC000309906849 384711055 /nfs/dbraw/zinc/71/10/55/384711055.db2.gz KUBUXILWAAALSU-UHFFFAOYSA-N 1 0 217.276 0.774 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644302814 384817057 /nfs/dbraw/zinc/81/70/57/384817057.db2.gz SSHQHUOHVXYXAL-QWRGUYRKSA-N 1 0 244.360 0.528 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644302813 384817401 /nfs/dbraw/zinc/81/74/01/384817401.db2.gz SSHQHUOHVXYXAL-MNOVXSKESA-N 1 0 244.360 0.528 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]CCOc1ccc(C#N)cc1 ZINC000358195951 384782295 /nfs/dbraw/zinc/78/22/95/384782295.db2.gz DKMBGVDFLBPCGL-SNVBAGLBSA-N 1 0 247.298 0.791 20 30 BCEDRO CC[N@H+](CCO)Cc1ccc(C#N)cn1 ZINC000550711538 384785556 /nfs/dbraw/zinc/78/55/56/384785556.db2.gz YQKFTJQYPLJVJG-UHFFFAOYSA-N 1 0 205.261 0.767 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1cn(C)nc1C ZINC000491067501 384799355 /nfs/dbraw/zinc/79/93/55/384799355.db2.gz IORGLKKJRVDGPN-JTQLQIEISA-N 1 0 248.330 0.519 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@H]1CCO ZINC000491068785 384800105 /nfs/dbraw/zinc/80/01/05/384800105.db2.gz QZSZSYOAPUTXOE-NWDGAFQWSA-N 1 0 238.331 0.267 20 30 BCEDRO C[C@]1(C(N)=O)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000361561891 384884206 /nfs/dbraw/zinc/88/42/06/384884206.db2.gz GWNYXHYPUDNAGJ-PWSUYJOCSA-N 1 0 234.303 0.627 20 30 BCEDRO C[C@@]1(C(N)=O)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000361561892 384884801 /nfs/dbraw/zinc/88/48/01/384884801.db2.gz GWNYXHYPUDNAGJ-ZYHUDNBSSA-N 1 0 234.303 0.627 20 30 BCEDRO COC[C@@H](CCO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000234675001 384845411 /nfs/dbraw/zinc/84/54/11/384845411.db2.gz AGMRENBKAJHCMZ-LLVKDONJSA-N 1 0 237.303 0.384 20 30 BCEDRO C#CCN(C(=O)CN1CC[NH+](CC)CC1)C1CC1 ZINC000491821482 384855180 /nfs/dbraw/zinc/85/51/80/384855180.db2.gz VZBPYQUFGTYYAB-UHFFFAOYSA-N 1 0 249.358 0.248 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1c(C)noc1C ZINC000107077740 384949651 /nfs/dbraw/zinc/94/96/51/384949651.db2.gz CJUPMEWFSZFQHM-UHFFFAOYSA-N 1 0 222.292 0.924 20 30 BCEDRO C#CCNC(=O)CCN(C)CC[N@H+](C)C1CC1 ZINC000491118986 384895750 /nfs/dbraw/zinc/89/57/50/384895750.db2.gz GLHSREUMXUNPLN-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cc1cccnc1 ZINC000294048642 533098074 /nfs/dbraw/zinc/09/80/74/533098074.db2.gz TZGGNTSJUWOJGI-UHFFFAOYSA-N 1 0 245.326 0.695 20 30 BCEDRO C=CCN(CCC#N)C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000557383112 384925509 /nfs/dbraw/zinc/92/55/09/384925509.db2.gz CJVZSZTVDOYHAD-LLVKDONJSA-N 1 0 221.304 0.866 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1c[nH]c(C#N)c1 ZINC000181145187 384930859 /nfs/dbraw/zinc/93/08/59/384930859.db2.gz GHRNNHMXCGUZKZ-UHFFFAOYSA-N 1 0 220.276 0.568 20 30 BCEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC000250482700 385021371 /nfs/dbraw/zinc/02/13/71/385021371.db2.gz CWWVZYOWXCXJLS-MNOVXSKESA-N 1 0 223.320 0.993 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1COCC1(C)C ZINC000312977027 384983438 /nfs/dbraw/zinc/98/34/38/384983438.db2.gz MUVSLVNGQHVZHT-VIFPVBQESA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000518370422 384988052 /nfs/dbraw/zinc/98/80/52/384988052.db2.gz BMRGZVREWTVYSQ-GARJFASQSA-N 1 0 243.351 0.739 20 30 BCEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)[C@H](C)C#N)C1 ZINC000250482697 385022189 /nfs/dbraw/zinc/02/21/89/385022189.db2.gz CWWVZYOWXCXJLS-GHMZBOCLSA-N 1 0 223.320 0.993 20 30 BCEDRO COC(=O)CCN(CCC#N)C[C@H]1CCCO1 ZINC000096593214 385004838 /nfs/dbraw/zinc/00/48/38/385004838.db2.gz UNXTWPHZBYKYDS-LLVKDONJSA-N 1 0 240.303 0.944 20 30 BCEDRO COC(=O)CCN(CCC#N)C[C@@H]1CCCO1 ZINC000096593213 385004907 /nfs/dbraw/zinc/00/49/07/385004907.db2.gz UNXTWPHZBYKYDS-NSHDSACASA-N 1 0 240.303 0.944 20 30 BCEDRO C[C@@H]1CC[N@H+](CCNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000539809215 385014906 /nfs/dbraw/zinc/01/49/06/385014906.db2.gz XGXCVVSFBAUSBY-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO CC[N@@H+]1C[C@H](C)N(CC(=O)NCC#N)C[C@H]1C ZINC000408046259 385049253 /nfs/dbraw/zinc/04/92/53/385049253.db2.gz KKOSFBXFEHVMKT-MNOVXSKESA-N 1 0 238.335 0.041 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000648274021 385065600 /nfs/dbraw/zinc/06/56/00/385065600.db2.gz GIAGTMGDJQYUMH-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO N#Cc1ccccc1CNC1(CO)CC[NH2+]CC1 ZINC000598682858 385066762 /nfs/dbraw/zinc/06/67/62/385066762.db2.gz PIRNKKDRSCSXML-UHFFFAOYSA-N 1 0 245.326 0.762 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCC[C@@H](C[NH2+]C)C1 ZINC000226677429 385039938 /nfs/dbraw/zinc/03/99/38/385039938.db2.gz NKYNCBNACWRRLN-NEPJUHHUSA-N 1 0 239.363 0.609 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](OC)C1CC1 ZINC000388266870 385042260 /nfs/dbraw/zinc/04/22/60/385042260.db2.gz FRJAMIBPCZVLKL-JFGNBEQYSA-N 1 0 238.331 0.527 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)n1cccn1 ZINC000294112794 533105867 /nfs/dbraw/zinc/10/58/67/533105867.db2.gz ZEEZWCMGJSHLBA-LBPRGKRZSA-N 1 0 248.330 0.515 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000646997524 385128827 /nfs/dbraw/zinc/12/88/27/385128827.db2.gz WNYZUNCJNLSPGY-GHMZBOCLSA-N 1 0 226.320 0.965 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000647001217 385135276 /nfs/dbraw/zinc/13/52/76/385135276.db2.gz SADINTIJDGZHCQ-WDEREUQCSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000647018409 385142654 /nfs/dbraw/zinc/14/26/54/385142654.db2.gz IMKVQUCYDQXOGY-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CCO[C@H](C#N)C1 ZINC000106043118 385089727 /nfs/dbraw/zinc/08/97/27/385089727.db2.gz WJLXOXGNEIDERN-SNVBAGLBSA-N 1 0 225.292 0.078 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CCCCCO ZINC000227118360 385090190 /nfs/dbraw/zinc/09/01/90/385090190.db2.gz ZTHWELHYUCDCMC-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO COCCOC[C@@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000564855664 385091575 /nfs/dbraw/zinc/09/15/75/385091575.db2.gz HDVUBODLTUYAJK-TUAOUCFPSA-N 1 0 242.319 0.292 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCS1 ZINC000293874989 533105095 /nfs/dbraw/zinc/10/50/95/533105095.db2.gz CDDLWNKVRUFMPC-NSHDSACASA-N 1 0 240.372 0.953 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C#N)n1C ZINC000451758144 385182906 /nfs/dbraw/zinc/18/29/06/385182906.db2.gz JAWNAWDOLYCQBO-VIFPVBQESA-N 1 0 234.303 0.577 20 30 BCEDRO CC#CCN1CC(=O)N[C@@H]2CCCC[C@H]21 ZINC000246591038 385195365 /nfs/dbraw/zinc/19/53/65/385195365.db2.gz MAGSMAIVOQGZKZ-GHMZBOCLSA-N 1 0 206.289 0.753 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cncnc1 ZINC000294048674 533106616 /nfs/dbraw/zinc/10/66/16/533106616.db2.gz TZSVGHCGKDRCMA-UHFFFAOYSA-N 1 0 232.287 0.162 20 30 BCEDRO C=CCC1(C(=O)NC[C@H](C)[NH3+])CCOCC1 ZINC000647023321 385158611 /nfs/dbraw/zinc/15/86/11/385158611.db2.gz XEEBQYDWIFFTSH-JTQLQIEISA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCN(C(=O)[C@]12C[C@H]1CC[NH2+]2)C1CC1 ZINC000565827739 385165196 /nfs/dbraw/zinc/16/51/96/385165196.db2.gz AQWYVFHNIRWERN-SKDRFNHKSA-N 1 0 206.289 0.915 20 30 BCEDRO C#CC[N@H+](C)CCCNc1nncs1 ZINC000294883953 533108924 /nfs/dbraw/zinc/10/89/24/533108924.db2.gz GHBJKZRUJDLQNA-UHFFFAOYSA-N 1 0 210.306 0.905 20 30 BCEDRO C[C@@H](C[S@](C)=O)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189597972 385219276 /nfs/dbraw/zinc/21/92/76/385219276.db2.gz VDDKFCQSCVKBAR-FVMDXXJSSA-N 1 0 239.344 0.753 20 30 BCEDRO C[C@@H](O)CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189595064 385219522 /nfs/dbraw/zinc/21/95/22/385219522.db2.gz ACQNECZQWZOUCG-SECBINFHSA-N 1 0 207.277 0.757 20 30 BCEDRO Cn1cc(C[NH2+]CCNC(=O)C2CC2)cc1C#N ZINC000189597846 385219538 /nfs/dbraw/zinc/21/95/38/385219538.db2.gz FDSFUBXJZKYUKZ-UHFFFAOYSA-N 1 0 246.314 0.513 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000647082875 385242805 /nfs/dbraw/zinc/24/28/05/385242805.db2.gz PVUOTGXPWFHFBG-MNOVXSKESA-N 1 0 226.320 0.823 20 30 BCEDRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308889852 385244860 /nfs/dbraw/zinc/24/48/60/385244860.db2.gz XEHGONFTZJLUFQ-OPRDCNLKSA-N 1 0 230.333 0.701 20 30 BCEDRO C[C@H](CS(C)(=O)=O)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308889850 385245522 /nfs/dbraw/zinc/24/55/22/385245522.db2.gz XEHGONFTZJLUFQ-BBBLOLIVSA-N 1 0 230.333 0.701 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000491630618 385253653 /nfs/dbraw/zinc/25/36/53/385253653.db2.gz QQBSTNUHAKGBCV-LBPRGKRZSA-N 1 0 235.331 0.936 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000308843684 385203856 /nfs/dbraw/zinc/20/38/56/385203856.db2.gz LBQUMHPHWQDHSX-BBBLOLIVSA-N 1 0 209.293 0.922 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000636099873 385307909 /nfs/dbraw/zinc/30/79/09/385307909.db2.gz GPROBXQLPRRHTG-LOWVWBTDSA-N 1 0 238.331 0.666 20 30 BCEDRO COCC#CCN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000644730653 385259636 /nfs/dbraw/zinc/25/96/36/385259636.db2.gz CBUVULPQUSHABJ-NWDGAFQWSA-N 1 0 208.305 0.272 20 30 BCEDRO C#CCNC(=O)CCN[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000491633442 385263579 /nfs/dbraw/zinc/26/35/79/385263579.db2.gz QDHJSHZHJSHCLT-CHWSQXEVSA-N 1 0 249.358 0.342 20 30 BCEDRO C[NH2+]CCNC(=O)Nc1ccc(C#N)cc1OC ZINC000573070958 385286578 /nfs/dbraw/zinc/28/65/78/385286578.db2.gz HMRNORIWVPOOGL-UHFFFAOYSA-N 1 0 248.286 0.908 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCCn2ccnn2)o1 ZINC000168142156 385287838 /nfs/dbraw/zinc/28/78/38/385287838.db2.gz UVUPUEDJBXWWNX-UHFFFAOYSA-N 1 0 231.259 0.923 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000644732390 385291409 /nfs/dbraw/zinc/29/14/09/385291409.db2.gz IIVNQOGOMRXEFG-FRRDWIJNSA-N 1 0 224.348 0.949 20 30 BCEDRO C#CCN(CC)C(=O)NCCC1=CC[NH2+]CC1 ZINC000491304156 385328862 /nfs/dbraw/zinc/32/88/62/385328862.db2.gz DMOAOFROFKXTKU-UHFFFAOYSA-N 1 0 235.331 0.961 20 30 BCEDRO C[N@@H+]([C@@H]1COC[C@H]1O)[C@H]1CC[C@H](C#N)C1 ZINC000407997855 385345166 /nfs/dbraw/zinc/34/51/66/385345166.db2.gz OPSPYUXHEXPDJA-UKKRHICBSA-N 1 0 210.277 0.370 20 30 BCEDRO COCCN1CC[C@H]([NH2+]CCCC#N)C1 ZINC000309045168 385389405 /nfs/dbraw/zinc/38/94/05/385389405.db2.gz NZWUBBQBWQKZDF-NSHDSACASA-N 1 0 211.309 0.600 20 30 BCEDRO CN1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CC1=O ZINC000309099972 385408492 /nfs/dbraw/zinc/40/84/92/385408492.db2.gz GGPZQTFIEDARTN-OPRDCNLKSA-N 1 0 207.277 0.499 20 30 BCEDRO C=CCCn1cc(C(=O)N(C)CCC[NH3+])nn1 ZINC000644067372 385416949 /nfs/dbraw/zinc/41/69/49/385416949.db2.gz SACQZEYZLFJUMG-UHFFFAOYSA-N 1 0 237.307 0.275 20 30 BCEDRO CN(C)C(=[NH2+])NCc1cccnc1-n1ccnc1 ZINC000170912390 385456246 /nfs/dbraw/zinc/45/62/46/385456246.db2.gz CMILUZHGQZDRKX-UHFFFAOYSA-N 1 0 244.302 0.644 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000644079281 385430836 /nfs/dbraw/zinc/43/08/36/385430836.db2.gz XVSGLQHHAYJDIW-LLVKDONJSA-N 1 0 226.320 0.695 20 30 BCEDRO C=CCCn1cc(C(=O)NCC[NH2+]C2CC2)nn1 ZINC000644083677 385434276 /nfs/dbraw/zinc/43/42/76/385434276.db2.gz BNOJIIZFGDASQW-UHFFFAOYSA-N 1 0 249.318 0.336 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000182270236 385436043 /nfs/dbraw/zinc/43/60/43/385436043.db2.gz STWJQWUCRYTUOB-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO N#CCN(CCC(=O)NC(N)=O)C1CCCC1 ZINC000156756745 385466860 /nfs/dbraw/zinc/46/68/60/385466860.db2.gz IPXVAWZNFGERQY-UHFFFAOYSA-N 1 0 238.291 0.340 20 30 BCEDRO C[C@@H](CNC(=O)c1cnccc1C#N)C[NH+](C)C ZINC000341257917 385477628 /nfs/dbraw/zinc/47/76/28/385477628.db2.gz KMOFWIYSHAXAJL-JTQLQIEISA-N 1 0 246.314 0.881 20 30 BCEDRO C[C@H](CNC(=O)c1cnccc1C#N)C[NH+](C)C ZINC000341257921 385478454 /nfs/dbraw/zinc/47/84/54/385478454.db2.gz KMOFWIYSHAXAJL-SNVBAGLBSA-N 1 0 246.314 0.881 20 30 BCEDRO CNC(=[NH2+])NCCc1ccc(OC)c(F)c1 ZINC000171413428 385482862 /nfs/dbraw/zinc/48/28/62/385482862.db2.gz JLWMXBATDYYHJE-UHFFFAOYSA-N 1 0 225.267 0.911 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000644115023 385492466 /nfs/dbraw/zinc/49/24/66/385492466.db2.gz LBKUXDBKERKVLI-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCCOCC(=O)NCC1=CC[NH2+]CC1 ZINC000644115973 385493617 /nfs/dbraw/zinc/49/36/17/385493617.db2.gz WNBJZEXQEVPSPC-UHFFFAOYSA-N 1 0 224.304 0.615 20 30 BCEDRO N#CCC[N@H+]1CCCC[C@@H]1[C@@H]1CNC(=O)C1 ZINC000408033791 385540726 /nfs/dbraw/zinc/54/07/26/385540726.db2.gz PQFAPTGHIRLAFN-WDEREUQCSA-N 1 0 221.304 0.891 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)C[N@@H+](CC)C1CC1 ZINC000491695198 385520974 /nfs/dbraw/zinc/52/09/74/385520974.db2.gz NWDICHKJJFBPGO-NSHDSACASA-N 1 0 236.315 0.331 20 30 BCEDRO Cc1cnn(CC[N@@H+]2CC[C@](O)(CC#N)C2)c1 ZINC000592152673 385567433 /nfs/dbraw/zinc/56/74/33/385567433.db2.gz ZYKHCUZVEZXQRU-GFCCVEGCSA-N 1 0 234.303 0.542 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@](O)(CC#N)C1 ZINC000592145882 385567913 /nfs/dbraw/zinc/56/79/13/385567913.db2.gz AMEUYRXYYWKNNU-CMPLNLGQSA-N 1 0 237.303 0.028 20 30 BCEDRO CC(C)(C)NC(=O)CN1CC[C@](O)(CC#N)C1 ZINC000592146226 385568086 /nfs/dbraw/zinc/56/80/86/385568086.db2.gz GGXNIPLPMALVOK-GFCCVEGCSA-N 1 0 239.319 0.252 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]C1)C(C)C ZINC000491708662 385605292 /nfs/dbraw/zinc/60/52/92/385605292.db2.gz NPMVBPMYCJDNSA-NWDGAFQWSA-N 1 0 237.347 0.943 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H](C)CC[NH+](C)C ZINC000299358122 533131855 /nfs/dbraw/zinc/13/18/55/533131855.db2.gz JIYTULGPZNRTOX-LLVKDONJSA-N 1 0 225.336 0.991 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H](CCC)[NH2+]C(C)C ZINC000309455324 385588787 /nfs/dbraw/zinc/58/87/87/385588787.db2.gz MGNORVPWGWSUMW-GHMZBOCLSA-N 1 0 228.336 0.816 20 30 BCEDRO N#Cc1csc(C[NH2+][C@@]2(CO)CCOC2)c1 ZINC000184178920 385622501 /nfs/dbraw/zinc/62/25/01/385622501.db2.gz LNTGCNSKLRCTCQ-LLVKDONJSA-N 1 0 238.312 0.861 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000491708667 385609165 /nfs/dbraw/zinc/60/91/65/385609165.db2.gz NPMVBPMYCJDNSA-VXGBXAGGSA-N 1 0 237.347 0.943 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@H](C)[NH+](C)C ZINC000491715495 385637851 /nfs/dbraw/zinc/63/78/51/385637851.db2.gz KAJBAPLGADJPLP-UWVGGRQHSA-N 1 0 211.309 0.600 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)NCCF ZINC000309523950 385656378 /nfs/dbraw/zinc/65/63/78/385656378.db2.gz CJQJHVZTJYAKIX-IVZWLZJFSA-N 1 0 227.283 0.742 20 30 BCEDRO C#CCNC(N[C@@H]1C[C@@](C)(OC)C1(C)C)=[NH+]C ZINC000262463637 533142341 /nfs/dbraw/zinc/14/23/41/533142341.db2.gz XWYHVLZZVKWVJS-ZWNOBZJWSA-N 1 0 237.347 0.988 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000645229357 385691171 /nfs/dbraw/zinc/69/11/71/385691171.db2.gz XVNYRIOMGFXSDH-GRYCIOLGSA-N 1 0 212.337 0.948 20 30 BCEDRO C#CCNC(N[C@@H]1C[C@](C)(OC)C1(C)C)=[NH+]C ZINC000262463633 533142844 /nfs/dbraw/zinc/14/28/44/533142844.db2.gz XWYHVLZZVKWVJS-MFKMUULPSA-N 1 0 237.347 0.988 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CC(=O)NCC(F)F)C1 ZINC000309585521 385718026 /nfs/dbraw/zinc/71/80/26/385718026.db2.gz SCJGALLKTGOQMV-YUMQZZPRSA-N 1 0 231.246 0.650 20 30 BCEDRO Cn1cc(C[NH2+]CCc2cn[nH]c2)cc1C#N ZINC000289912069 385700259 /nfs/dbraw/zinc/70/02/59/385700259.db2.gz RRFWKQVJYDRDPY-UHFFFAOYSA-N 1 0 229.287 0.952 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000336735505 385701401 /nfs/dbraw/zinc/70/14/01/385701401.db2.gz OISOXUUHBOFSMZ-VHSXEESVSA-N 1 0 233.333 0.090 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000309572496 385702573 /nfs/dbraw/zinc/70/25/73/385702573.db2.gz NMNZVHCQPSENBK-MWLCHTKSSA-N 1 0 221.304 0.794 20 30 BCEDRO C#CCNC(NC[C@H](c1ccco1)N(C)C)=[NH+]C ZINC000262604481 533140815 /nfs/dbraw/zinc/14/08/15/533140815.db2.gz FQPGRAFDSLIAEM-LLVKDONJSA-N 1 0 248.330 0.681 20 30 BCEDRO C#CCNC(N[C@@H]1[C@@H]2CCCO[C@@H]2C1(C)C)=[NH+]C ZINC000262403638 533141401 /nfs/dbraw/zinc/14/14/01/533141401.db2.gz OCTGTSNLBWLFDO-TUAOUCFPSA-N 1 0 249.358 0.988 20 30 BCEDRO CC#CC[N@H+](C)CCCCS(C)(=O)=O ZINC000645262227 385670195 /nfs/dbraw/zinc/67/01/95/385670195.db2.gz GIDXVXHZGWNRFE-UHFFFAOYSA-N 1 0 217.334 0.766 20 30 BCEDRO CS(=O)(=O)NCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000336693555 385737308 /nfs/dbraw/zinc/73/73/08/385737308.db2.gz LGIWCDQZKZQHQB-VHSXEESVSA-N 1 0 245.348 0.208 20 30 BCEDRO CN(C)C(=O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000185884984 385742982 /nfs/dbraw/zinc/74/29/82/385742982.db2.gz CPVFBQFBWQRUHV-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H](C(=O)NC1(C#N)CCCC1)[NH+](C)C ZINC000602095071 385765492 /nfs/dbraw/zinc/76/54/92/385765492.db2.gz YDQAOOKFIDBJNB-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491743838 385765568 /nfs/dbraw/zinc/76/55/68/385765568.db2.gz LEHRYGPGFVEWBB-QWRGUYRKSA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000182305495 385776102 /nfs/dbraw/zinc/77/61/02/385776102.db2.gz IEUSLFZSFQMFNA-SRVKXCTJSA-N 1 0 238.331 0.672 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)CC(=O)N(C)C ZINC000186699781 385782808 /nfs/dbraw/zinc/78/28/08/385782808.db2.gz QIBLZUSQCIQKPO-UWVGGRQHSA-N 1 0 214.309 0.380 20 30 BCEDRO CN(C(=O)CCC[NH3+])[C@H]1CCC[C@H]1C#N ZINC000602597315 385808878 /nfs/dbraw/zinc/80/88/78/385808878.db2.gz AXDHFAOAJLXRNU-UWVGGRQHSA-N 1 0 209.293 0.876 20 30 BCEDRO CN(C(=O)CCC[NH3+])[C@@H]1CCC[C@@H]1C#N ZINC000602597309 385809028 /nfs/dbraw/zinc/80/90/28/385809028.db2.gz AXDHFAOAJLXRNU-NXEZZACHSA-N 1 0 209.293 0.876 20 30 BCEDRO CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCC[C@H]1C#N ZINC000602597349 385809749 /nfs/dbraw/zinc/80/97/49/385809749.db2.gz BDUSNMZDZFZISW-GARJFASQSA-N 1 0 237.303 0.125 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(C)(CO)CC1 ZINC000186955885 385817963 /nfs/dbraw/zinc/81/79/63/385817963.db2.gz MJEDQXUXZNKDKS-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCCOCC(=O)NC1(C[NH3+])CCCC1 ZINC000647805717 385844178 /nfs/dbraw/zinc/84/41/78/385844178.db2.gz YMIJCOKTXIZWRU-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO CCC(C#N)(CC)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000602482335 385796691 /nfs/dbraw/zinc/79/66/91/385796691.db2.gz FIKWHTNJMJBEHT-JTQLQIEISA-N 1 0 239.319 0.502 20 30 BCEDRO C#CCN1CCC([N@H+]2CCO[C@@H](C)C2)CC1 ZINC000373921846 533151090 /nfs/dbraw/zinc/15/10/90/533151090.db2.gz JILMIGNNJDPILS-LBPRGKRZSA-N 1 0 222.332 0.805 20 30 BCEDRO C=CCn1cc(C(=O)N2CC[NH2+]CC2(C)C)nn1 ZINC000647841297 385889856 /nfs/dbraw/zinc/88/98/56/385889856.db2.gz HTNJYXCMUXVRTB-UHFFFAOYSA-N 1 0 249.318 0.288 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCCCC#N)CC1 ZINC000273009104 533148688 /nfs/dbraw/zinc/14/86/88/533148688.db2.gz IVPVTXMURDHDMG-UHFFFAOYSA-N 1 0 233.315 0.752 20 30 BCEDRO C#CC[NH+]1CCC(c2nc(C)n[nH]2)CC1 ZINC000364020003 533150002 /nfs/dbraw/zinc/15/00/02/533150002.db2.gz XFYQFJROQGJCHS-UHFFFAOYSA-N 1 0 204.277 0.926 20 30 BCEDRO C[C@@](O)(CNC(=[NH2+])NC1CC1)c1ccco1 ZINC000262685746 385874889 /nfs/dbraw/zinc/87/48/89/385874889.db2.gz UWUYAZLVJYPSSM-LLVKDONJSA-N 1 0 223.276 0.554 20 30 BCEDRO C=CC[NH+]1CCC(N=c2nc[nH]n2C)CC1 ZINC000647867902 385981766 /nfs/dbraw/zinc/98/17/66/385981766.db2.gz ZPIDRKKHOYYWAF-UHFFFAOYSA-N 1 0 221.308 0.299 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000643254625 385990271 /nfs/dbraw/zinc/99/02/71/385990271.db2.gz SYOMAZCTYUNQMD-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC(C)([NH3+])CC2)C1=O ZINC000647924202 385940306 /nfs/dbraw/zinc/94/03/06/385940306.db2.gz NXTVUCYJOKODDP-LLVKDONJSA-N 1 0 237.347 0.587 20 30 BCEDRO C=CCN1CC[C@H](N2CCC(C)([NH3+])CC2)C1=O ZINC000647924203 385940971 /nfs/dbraw/zinc/94/09/71/385940971.db2.gz NXTVUCYJOKODDP-NSHDSACASA-N 1 0 237.347 0.587 20 30 BCEDRO CC[C@H](C#N)NC(=O)C[N@H+](CC)C1CC1 ZINC000345143143 386009954 /nfs/dbraw/zinc/00/99/54/386009954.db2.gz AJZCEDAGTDHXDD-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO CC[NH+]1CCN(CC(=O)NCCCC#N)CC1 ZINC000345151945 386015290 /nfs/dbraw/zinc/01/52/90/386015290.db2.gz PFROMPKYBJTAGP-UHFFFAOYSA-N 1 0 238.335 0.044 20 30 BCEDRO C=C(C)CN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000189573088 386018945 /nfs/dbraw/zinc/01/89/45/386018945.db2.gz PVUOTTHPMNOUIS-VXGBXAGGSA-N 1 0 212.337 0.949 20 30 BCEDRO CC(C)[C@@H](C(=O)NCCCC#N)[NH+](C)C ZINC000345157350 386019849 /nfs/dbraw/zinc/01/98/49/386019849.db2.gz XKOFONRKKHDBQC-JTQLQIEISA-N 1 0 211.309 0.993 20 30 BCEDRO C=CCN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000189908401 386113799 /nfs/dbraw/zinc/11/37/99/386113799.db2.gz RTOWVMRXSMJMSF-NSHDSACASA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCOCCN1CC[NH+]([C@H](CC)CO)CC1 ZINC000339006990 386203214 /nfs/dbraw/zinc/20/32/14/386203214.db2.gz GLIMZRTUFCOCJS-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](OC)C1 ZINC000292994328 533162992 /nfs/dbraw/zinc/16/29/92/533162992.db2.gz GGKSPMKDIJRNOL-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNCc1cccc(C#N)c1 ZINC000228726314 386192776 /nfs/dbraw/zinc/19/27/76/386192776.db2.gz DQGHTQQGFNQKHI-AWEZNQCLSA-N 1 0 247.342 0.960 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(C#N)CCC1 ZINC000416350983 386287260 /nfs/dbraw/zinc/28/72/60/386287260.db2.gz LCYDVQJONWHVMN-WDEREUQCSA-N 1 0 235.331 0.994 20 30 BCEDRO C=CCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000416442310 386317772 /nfs/dbraw/zinc/31/77/72/386317772.db2.gz XAMOWKYWKNVHTR-UWVGGRQHSA-N 1 0 211.309 0.989 20 30 BCEDRO C=CCNC(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000416442312 386319028 /nfs/dbraw/zinc/31/90/28/386319028.db2.gz XAMOWKYWKNVHTR-ZJUUUORDSA-N 1 0 211.309 0.989 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@H+](CCC(C)(C)C#N)C1 ZINC000347153698 386263195 /nfs/dbraw/zinc/26/31/95/386263195.db2.gz AYMFMJWLCPAUTJ-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000639238352 386345195 /nfs/dbraw/zinc/34/51/95/386345195.db2.gz KFIAMDLABZKPCE-YNEHKIRRSA-N 1 0 243.347 0.955 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000367338917 533169670 /nfs/dbraw/zinc/16/96/70/533169670.db2.gz GSWYJBFOZXFMAU-RYUDHWBXSA-N 1 0 235.331 0.888 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000639238349 386346910 /nfs/dbraw/zinc/34/69/10/386346910.db2.gz KFIAMDLABZKPCE-JHJVBQTASA-N 1 0 243.347 0.955 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000639238350 386346954 /nfs/dbraw/zinc/34/69/54/386346954.db2.gz KFIAMDLABZKPCE-UPJWGTAASA-N 1 0 243.347 0.955 20 30 BCEDRO C=C(C)CN(C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000181303875 386348738 /nfs/dbraw/zinc/34/87/38/386348738.db2.gz CEJIMYRUZWDBEX-JTQLQIEISA-N 1 0 241.335 0.087 20 30 BCEDRO C#CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000361786175 533175419 /nfs/dbraw/zinc/17/54/19/533175419.db2.gz WHWWBFKYQCOSJT-WDEREUQCSA-N 1 0 206.289 0.610 20 30 BCEDRO CC#CC[C@@H](CO)Nc1cc(C)ncn1 ZINC000645404315 386471583 /nfs/dbraw/zinc/47/15/83/386471583.db2.gz DZKQZOXIEIUZJT-JTQLQIEISA-N 1 0 205.261 0.971 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@]1(C)C[C@H]1F ZINC000399266902 386472097 /nfs/dbraw/zinc/47/20/97/386472097.db2.gz FSDGTLZDOSMSGB-ZYHUDNBSSA-N 1 0 226.295 0.806 20 30 BCEDRO CC#CC[C@H](CO)Nc1cc[nH+]c(C)c1 ZINC000645406037 386481589 /nfs/dbraw/zinc/48/15/89/386481589.db2.gz OXLGXHLGWFIUIK-GFCCVEGCSA-N 1 0 204.273 0.998 20 30 BCEDRO C=CCSCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417345403 386485007 /nfs/dbraw/zinc/48/50/07/386485007.db2.gz RSIJRCJKAUCNSY-VIFPVBQESA-N 1 0 229.349 0.567 20 30 BCEDRO C=CCOCC(=O)N1CCC(CC[NH3+])CC1 ZINC000519539574 386487123 /nfs/dbraw/zinc/48/71/23/386487123.db2.gz AVPZIAYDKXSLHJ-UHFFFAOYSA-N 1 0 226.320 0.776 20 30 BCEDRO C=CCC[C@H]([NH2+]CCS(=O)(=O)NC)C1CC1 ZINC000187189398 386490176 /nfs/dbraw/zinc/49/01/76/386490176.db2.gz CGTDFLLYIJVHCE-NSHDSACASA-N 1 0 246.376 0.870 20 30 BCEDRO C=CCSCCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000417327350 386498077 /nfs/dbraw/zinc/49/80/77/386498077.db2.gz GHNLKRKMNNEXAD-JTQLQIEISA-N 1 0 243.376 0.909 20 30 BCEDRO CCC1(C[NH2+]C[C@H](O)CN(C)CCC#N)CC1 ZINC000519597480 386500334 /nfs/dbraw/zinc/50/03/34/386500334.db2.gz OIJVEDUMIMMDHV-LBPRGKRZSA-N 1 0 239.363 0.973 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C)CCCC[NH3+] ZINC000336733249 386507809 /nfs/dbraw/zinc/50/78/09/386507809.db2.gz GLJFDKDQIIUMKT-JTQLQIEISA-N 1 0 214.309 0.823 20 30 BCEDRO C[C@@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)NCC#N ZINC000408432107 386585271 /nfs/dbraw/zinc/58/52/71/386585271.db2.gz DHKUIKWWDJWVNS-GMTAPVOTSA-N 1 0 239.319 0.107 20 30 BCEDRO C=CCCC[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000187743319 386589379 /nfs/dbraw/zinc/58/93/79/386589379.db2.gz BKOLFPCVPNMSFA-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C=C(C)COCC[NH2+]Cc1cnnn1CC ZINC000417939574 386591013 /nfs/dbraw/zinc/59/10/13/386591013.db2.gz WNYAFTPEEPXKDJ-UHFFFAOYSA-N 1 0 224.308 0.980 20 30 BCEDRO C=CCCC(=O)NCC[N@H+](CC)CCO ZINC000183944633 386562246 /nfs/dbraw/zinc/56/22/46/386562246.db2.gz WEDFMEWEWSUQLN-UHFFFAOYSA-N 1 0 214.309 0.383 20 30 BCEDRO C=CCN1CC[C@H](N[C@@](C)(C[NH3+])C2CC2)C1=O ZINC000519827858 386565234 /nfs/dbraw/zinc/56/52/34/386565234.db2.gz VFVOWUCYDPJAOH-AAEUAGOBSA-N 1 0 237.347 0.490 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1C[C@H](C)O ZINC000123808645 386570515 /nfs/dbraw/zinc/57/05/15/386570515.db2.gz UNXZHPMFVQXBEP-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO CO[C@H]1CC[N@H+](CC(=O)NCC#N)[C@H](C)C1 ZINC000408424113 386573963 /nfs/dbraw/zinc/57/39/63/386573963.db2.gz CYQRZKRKGLOCOT-ZJUUUORDSA-N 1 0 225.292 0.125 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@H+](CC)CCO ZINC000049754366 386655481 /nfs/dbraw/zinc/65/54/81/386655481.db2.gz GFUUOGWBZXHPAP-UHFFFAOYSA-N 1 0 228.336 0.725 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@](O)(CC)C1 ZINC000425921570 386634099 /nfs/dbraw/zinc/63/40/99/386634099.db2.gz QGNVXGKMEOHXQO-NSHDSACASA-N 1 0 212.293 0.135 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](O)(CC)C1 ZINC000425923602 386635117 /nfs/dbraw/zinc/63/51/17/386635117.db2.gz SLANZNVXBMDPNO-PWSUYJOCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292992729 386649132 /nfs/dbraw/zinc/64/91/32/386649132.db2.gz OCNBRKMDJABIMB-LBPRGKRZSA-N 1 0 236.319 0.983 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1COCCO1 ZINC000328919207 386653283 /nfs/dbraw/zinc/65/32/83/386653283.db2.gz APAJMLWVTJDDIV-GHMZBOCLSA-N 1 0 242.319 0.843 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000124570672 386659646 /nfs/dbraw/zinc/65/96/46/386659646.db2.gz BWNIBOXNSCAFQF-WDEREUQCSA-N 1 0 246.376 0.999 20 30 BCEDRO O=C(NCC[NH+]1CCC1)[C@H]1CCc2n[nH]nc2C1 ZINC000328973437 386666418 /nfs/dbraw/zinc/66/64/18/386666418.db2.gz PGWRITGULUZIGQ-VIFPVBQESA-N 1 0 249.318 0.572 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2COC[C@H]2n2ccnn2)C1 ZINC000328985838 386667722 /nfs/dbraw/zinc/66/77/22/386667722.db2.gz ZVBMJWXWNLJWFQ-NOOOWODRSA-N 1 0 247.302 0.500 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000330363561 386675339 /nfs/dbraw/zinc/67/53/39/386675339.db2.gz KATPZHJKOGHGPJ-VIFPVBQESA-N 1 0 231.321 0.043 20 30 BCEDRO CCNC(=O)NC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000330418010 386710044 /nfs/dbraw/zinc/71/00/44/386710044.db2.gz WDLAONLVJSZNKA-RKDXNWHRSA-N 1 0 243.307 0.051 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCCC(N)=O ZINC000330430501 386712444 /nfs/dbraw/zinc/71/24/44/386712444.db2.gz MRCKZSRHKORDDI-QMMMGPOBSA-N 1 0 228.296 0.510 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CC[C@@H]([NH3+])C1 ZINC000050242771 386687788 /nfs/dbraw/zinc/68/77/88/386687788.db2.gz UICNXJZBYVCYCP-LLVKDONJSA-N 1 0 223.320 0.220 20 30 BCEDRO C=CCOCC[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000645128926 386738577 /nfs/dbraw/zinc/73/85/77/386738577.db2.gz XJVQTUAZILFYRC-UHFFFAOYSA-N 1 0 242.363 0.578 20 30 BCEDRO CC[N@H+](C)CCNC(=O)N[C@H](C)c1cn[nH]c1 ZINC000330463659 386723274 /nfs/dbraw/zinc/72/32/74/386723274.db2.gz CUVPSKGJPQFLDN-SECBINFHSA-N 1 0 239.323 0.926 20 30 BCEDRO C[C@@H]1CN(C(=O)CC#N)CC[N@@H+]1CC(C)(C)O ZINC000408441104 386728995 /nfs/dbraw/zinc/72/89/95/386728995.db2.gz GWKKOPRZUAUQJO-SNVBAGLBSA-N 1 0 239.319 0.204 20 30 BCEDRO C[C@@H](CC#N)[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000336761180 386757275 /nfs/dbraw/zinc/75/72/75/386757275.db2.gz NAPYPPFEZRYXPP-DTWKUNHWSA-N 1 0 209.293 0.935 20 30 BCEDRO CCCCNC(=[NH2+])NCCN1CC=CCC1 ZINC000279952868 386759970 /nfs/dbraw/zinc/75/99/70/386759970.db2.gz IBUTWGMZTNXQLW-UHFFFAOYSA-N 1 0 224.352 0.953 20 30 BCEDRO CC[NH2+][C@H](C)CNC(=O)NCC(C)(C)C#N ZINC000417985610 386790311 /nfs/dbraw/zinc/79/03/11/386790311.db2.gz FSWAOCRICPUYIT-SECBINFHSA-N 1 0 226.324 0.833 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000330598520 386805821 /nfs/dbraw/zinc/80/58/21/386805821.db2.gz DLFIPDUSEMFHIB-GMTAPVOTSA-N 1 0 215.293 0.005 20 30 BCEDRO C#CCSCCNC(=[NH2+])N[C@@H](C)COC ZINC000178581752 533199954 /nfs/dbraw/zinc/19/99/54/533199954.db2.gz BPVYRNHYDOWUDV-VIFPVBQESA-N 1 0 229.349 0.292 20 30 BCEDRO C[N@H+](CC(=O)NCCCC#N)[C@@H]1CCSC1 ZINC000330810493 386894095 /nfs/dbraw/zinc/89/40/95/386894095.db2.gz BIYIVELWHFFHGG-SNVBAGLBSA-N 1 0 241.360 0.844 20 30 BCEDRO C#CCSCCNC(=[NH2+])N[C@H](C)COC ZINC000178581766 533200464 /nfs/dbraw/zinc/20/04/64/533200464.db2.gz BPVYRNHYDOWUDV-SECBINFHSA-N 1 0 229.349 0.292 20 30 BCEDRO C[C@@H](NC(=O)N(C)CCO)C1=CC[N@H+](C)CC1 ZINC000330766740 386880958 /nfs/dbraw/zinc/88/09/58/386880958.db2.gz KXQFAKULVNEUIA-SNVBAGLBSA-N 1 0 241.335 0.475 20 30 BCEDRO CC(C)[C@@H](CO)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000330729765 386884514 /nfs/dbraw/zinc/88/45/14/386884514.db2.gz OLBWGUPPNQXUNK-GHMZBOCLSA-N 1 0 243.351 0.601 20 30 BCEDRO N#C[C@H]1CCC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000330816218 386896250 /nfs/dbraw/zinc/89/62/50/386896250.db2.gz GFMHECPBURKLKB-BDAKNGLRSA-N 1 0 236.275 0.024 20 30 BCEDRO CN(C[C@@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000514598751 387007422 /nfs/dbraw/zinc/00/74/22/387007422.db2.gz KEXRVDVKDUSVEA-LOWVWBTDSA-N 1 0 237.347 0.723 20 30 BCEDRO C=C(C)COCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417891410 386970608 /nfs/dbraw/zinc/97/06/08/386970608.db2.gz PFRPDEKPVQVLEG-LLVKDONJSA-N 1 0 241.335 0.712 20 30 BCEDRO C=C(C)COCCNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000417891411 386971881 /nfs/dbraw/zinc/97/18/81/386971881.db2.gz PFRPDEKPVQVLEG-NSHDSACASA-N 1 0 241.335 0.712 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CC[C@H]1SC ZINC000425359256 386976791 /nfs/dbraw/zinc/97/67/91/386976791.db2.gz RQVDEWZNVQBERT-RKDXNWHRSA-N 1 0 214.334 0.772 20 30 BCEDRO C=CCN(CC(F)(F)F)C(=O)COCC[NH3+] ZINC000648018241 386997667 /nfs/dbraw/zinc/99/76/67/386997667.db2.gz QPGJQQAABVEYRL-UHFFFAOYSA-N 1 0 240.225 0.539 20 30 BCEDRO C[NH+](C)CC1(NC(=O)CSCC#N)CCC1 ZINC000341938320 386997935 /nfs/dbraw/zinc/99/79/35/386997935.db2.gz AYSNYMCGIMNZOM-UHFFFAOYSA-N 1 0 241.360 0.844 20 30 BCEDRO C=CC(C)(C)CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000334955229 387033881 /nfs/dbraw/zinc/03/38/81/387033881.db2.gz MSACAMVAGSOKTD-VIFPVBQESA-N 1 0 211.309 0.941 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CCC[NH2+][C@@H]1C ZINC000334957822 387037364 /nfs/dbraw/zinc/03/73/64/387037364.db2.gz SKLBEAOZFCQLAD-ZJUUUORDSA-N 1 0 209.293 0.449 20 30 BCEDRO C=CCCCCNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418031140 387042893 /nfs/dbraw/zinc/04/28/93/387042893.db2.gz KNKPRAHOGWHZLS-LLVKDONJSA-N 1 0 241.335 0.712 20 30 BCEDRO C=CCn1cc(C(=O)N2C[C@H](C)[NH2+]C[C@@H]2C)nn1 ZINC000648108015 387052362 /nfs/dbraw/zinc/05/23/62/387052362.db2.gz MYNRSNHNZFINPH-UWVGGRQHSA-N 1 0 249.318 0.287 20 30 BCEDRO CC#CCCNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000418035462 387059346 /nfs/dbraw/zinc/05/93/46/387059346.db2.gz UUGPSEYFAKOVBO-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO CC#CCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418035560 387060949 /nfs/dbraw/zinc/06/09/49/387060949.db2.gz VIDBVWQVLGFKHR-JTQLQIEISA-N 1 0 209.293 0.436 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000418036931 387064411 /nfs/dbraw/zinc/06/44/11/387064411.db2.gz XAXVEMZYFGMLRL-GHMZBOCLSA-N 1 0 223.320 0.779 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418023471 387018581 /nfs/dbraw/zinc/01/85/81/387018581.db2.gz BZBIORLJIXTJEK-GHMZBOCLSA-N 1 0 223.320 0.697 20 30 BCEDRO CN(CC[NH+](C)C)c1nccc(C#N)c1[N+](=O)[O-] ZINC000268459005 387021248 /nfs/dbraw/zinc/02/12/48/387021248.db2.gz HKPIIHGJXZUKHK-UHFFFAOYSA-N 1 0 249.274 0.859 20 30 BCEDRO C=CCCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418096872 387102020 /nfs/dbraw/zinc/10/20/20/387102020.db2.gz JLYIUMHPAGGMEA-JTQLQIEISA-N 1 0 211.309 0.989 20 30 BCEDRO C[C@H]1CN(C(=O)NCC2(CC#N)CC2)CC[NH2+]1 ZINC000334946742 387108941 /nfs/dbraw/zinc/10/89/41/387108941.db2.gz YRPZDRJAMFEBGM-JTQLQIEISA-N 1 0 236.319 0.684 20 30 BCEDRO C=C(C)CNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000334948973 387111810 /nfs/dbraw/zinc/11/18/10/387111810.db2.gz DKURLLGIORTQMV-NXEZZACHSA-N 1 0 211.309 0.860 20 30 BCEDRO CCN(CCO)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000184539525 387067787 /nfs/dbraw/zinc/06/77/87/387067787.db2.gz JWZVHAJVLWUCHY-UHFFFAOYSA-N 1 0 247.342 0.962 20 30 BCEDRO CC[NH2+][C@H](C)CNC(=O)NCC1(CC#N)CC1 ZINC000418130063 387159056 /nfs/dbraw/zinc/15/90/56/387159056.db2.gz VUHXJUUCJZSMJX-SNVBAGLBSA-N 1 0 238.335 0.977 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCC[NH3+] ZINC000418130177 387160127 /nfs/dbraw/zinc/16/01/27/387160127.db2.gz FNVDGLGZRDDDFD-ZJUUUORDSA-N 1 0 227.308 0.226 20 30 BCEDRO C=CCNC(=O)CN1CC[N@@H+](C)C[C@H]1CC ZINC000580396424 387161665 /nfs/dbraw/zinc/16/16/65/387161665.db2.gz BEZWMIPNMXIGPK-LLVKDONJSA-N 1 0 225.336 0.315 20 30 BCEDRO COCCNCC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000423344581 387193063 /nfs/dbraw/zinc/19/30/63/387193063.db2.gz WZLXQCGYODWTJN-RYUDHWBXSA-N 1 0 225.336 0.894 20 30 BCEDRO C[N@H+](CC(=O)NC1(C#N)CC1)[C@H]1CCSC1 ZINC000120435600 387185824 /nfs/dbraw/zinc/18/58/24/387185824.db2.gz DHTVJORGJQWACK-VIFPVBQESA-N 1 0 239.344 0.596 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000571880079 387191014 /nfs/dbraw/zinc/19/10/14/387191014.db2.gz LPQZAOSDTHJDQM-MMWGEVLESA-N 1 0 221.304 0.793 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418265501 387237279 /nfs/dbraw/zinc/23/72/79/387237279.db2.gz NRJQVGLVLZKEGZ-LLVKDONJSA-N 1 0 240.351 0.155 20 30 BCEDRO CC(C)(C)OC(=O)NCCNC(=[NH2+])NC1CC1 ZINC000161527076 387237589 /nfs/dbraw/zinc/23/75/89/387237589.db2.gz RLTUUAPCBDIFHL-UHFFFAOYSA-N 1 0 242.323 0.578 20 30 BCEDRO C[NH+](C)CCOCCNC(=O)C1(C#N)CCC1 ZINC000230183187 387242628 /nfs/dbraw/zinc/24/26/28/387242628.db2.gz NYWGXFUSYIEQRN-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)[C@H](C)C#N)CC[N@@H+]1C ZINC000336419584 387245201 /nfs/dbraw/zinc/24/52/01/387245201.db2.gz NFCDNUADGQSDDY-GHMZBOCLSA-N 1 0 223.320 0.945 20 30 BCEDRO COC(=O)CC[NH+]1CCC(F)(C#N)CC1 ZINC000352482681 387249127 /nfs/dbraw/zinc/24/91/27/387249127.db2.gz HDDRSKYHUYIKBR-UHFFFAOYSA-N 1 0 214.240 0.877 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1cnccc1C#N ZINC000358837140 387267270 /nfs/dbraw/zinc/26/72/70/387267270.db2.gz HPLHIGRGLNPJKF-UHFFFAOYSA-N 1 0 232.287 0.587 20 30 BCEDRO C[C@H](CCC#N)[NH2+][C@H](CO)c1cnn(C)c1 ZINC000514733252 387281465 /nfs/dbraw/zinc/28/14/65/387281465.db2.gz HNIFHDUGDMVIOE-MWLCHTKSSA-N 1 0 222.292 0.735 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000353985041 387306108 /nfs/dbraw/zinc/30/61/08/387306108.db2.gz XWZGVZGBHHDGPI-MFKMUULPSA-N 1 0 240.347 0.912 20 30 BCEDRO C=CCOCC(=O)N1CC[NH+](C(C)C)CC1 ZINC000354434198 387376811 /nfs/dbraw/zinc/37/68/11/387376811.db2.gz PGCPIGTZCQHTJB-UHFFFAOYSA-N 1 0 226.320 0.742 20 30 BCEDRO COCCN(CC#N)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000515433679 387378791 /nfs/dbraw/zinc/37/87/91/387378791.db2.gz XNDNPEBCKTYVMI-LLVKDONJSA-N 1 0 239.319 0.327 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[NH2+]C[C@H]2C)nn1 ZINC000648124084 387424542 /nfs/dbraw/zinc/42/45/42/387424542.db2.gz QCZMCKJDWHKJAF-ZJUUUORDSA-N 1 0 249.318 0.192 20 30 BCEDRO C[NH+](C)CCNC(=O)NCC#Cc1ccccc1 ZINC000270685849 387433150 /nfs/dbraw/zinc/43/31/50/387433150.db2.gz WCSPTHFBBGDZPV-UHFFFAOYSA-N 1 0 245.326 0.899 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000273208345 387454666 /nfs/dbraw/zinc/45/46/66/387454666.db2.gz ACGHTLWMYVHCHY-QWRGUYRKSA-N 1 0 243.351 0.563 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](COC)C1 ZINC000265801037 387399039 /nfs/dbraw/zinc/39/90/39/387399039.db2.gz OAQJXKFKSJNZSZ-GHMZBOCLSA-N 1 0 224.304 0.093 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](COC)C1 ZINC000265801040 387399973 /nfs/dbraw/zinc/39/99/73/387399973.db2.gz OAQJXKFKSJNZSZ-QWRGUYRKSA-N 1 0 224.304 0.093 20 30 BCEDRO C[C@H](O)C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000051819947 387422416 /nfs/dbraw/zinc/42/24/16/387422416.db2.gz LWNXRPAUIMMFEG-GWCFXTLKSA-N 1 0 234.299 0.904 20 30 BCEDRO C[C@H](CNC(=O)c1ccnc(C#N)c1)C[NH+](C)C ZINC000292412743 387494748 /nfs/dbraw/zinc/49/47/48/387494748.db2.gz PGTJRFKHPRRFAB-SNVBAGLBSA-N 1 0 246.314 0.881 20 30 BCEDRO C[C@@H](CNC(=O)c1ccnc(C#N)c1)C[NH+](C)C ZINC000292412741 387494886 /nfs/dbraw/zinc/49/48/86/387494886.db2.gz PGTJRFKHPRRFAB-JTQLQIEISA-N 1 0 246.314 0.881 20 30 BCEDRO CC1(C)CN(C(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC000424095873 387498556 /nfs/dbraw/zinc/49/85/56/387498556.db2.gz OHYQTQWZRYLSDC-SNVBAGLBSA-N 1 0 239.319 0.645 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1COC(C)(C)C1 ZINC000396858740 387505494 /nfs/dbraw/zinc/50/54/94/387505494.db2.gz SSYWGJVQDHOGTF-SECBINFHSA-N 1 0 212.293 0.446 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1(C)CCC1 ZINC000516453287 387512832 /nfs/dbraw/zinc/51/28/32/387512832.db2.gz FYFXEWZJEXFOEU-GFCCVEGCSA-N 1 0 239.363 0.973 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000417967681 387519150 /nfs/dbraw/zinc/51/91/50/387519150.db2.gz VSEKQIOGFGPNEH-LLVKDONJSA-N 1 0 243.351 0.876 20 30 BCEDRO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H](C)CO1 ZINC000424099275 387519352 /nfs/dbraw/zinc/51/93/52/387519352.db2.gz VBMQSPRHZKHMRD-AXFHLTTASA-N 1 0 239.319 0.643 20 30 BCEDRO C[C@H](Nc1ccnc(C#N)n1)C1=CC[N@H+](C)CC1 ZINC000576887106 387521620 /nfs/dbraw/zinc/52/16/20/387521620.db2.gz DEVDYZVSYSQLGN-JTQLQIEISA-N 1 0 243.314 0.832 20 30 BCEDRO CO[C@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424101715 387527129 /nfs/dbraw/zinc/52/71/29/387527129.db2.gz ZDYVNSCINYTXAM-WDEREUQCSA-N 1 0 239.319 0.645 20 30 BCEDRO CN(CC(F)F)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424108269 387528912 /nfs/dbraw/zinc/52/89/12/387528912.db2.gz QCQCPNMVWSOIFP-ZETCQYMHSA-N 1 0 219.235 0.731 20 30 BCEDRO COC[C@H](C)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424108432 387529052 /nfs/dbraw/zinc/52/90/52/387529052.db2.gz QQMQRYIBATUYST-NXEZZACHSA-N 1 0 227.308 0.406 20 30 BCEDRO CC#CC(=O)N1CCN(Cc2ccccn2)CC1 ZINC000277268682 387530584 /nfs/dbraw/zinc/53/05/84/387530584.db2.gz BDJPGPKQGSDWCA-UHFFFAOYSA-N 1 0 243.310 0.749 20 30 BCEDRO C[NH+](C)CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000425855461 387530829 /nfs/dbraw/zinc/53/08/29/387530829.db2.gz ZQGVCPNKQYLVIN-VHSXEESVSA-N 1 0 224.308 0.539 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417969874 387530954 /nfs/dbraw/zinc/53/09/54/387530954.db2.gz ZVSLEHSBNVJCMG-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO C#CCCCC(=O)NCC[NH+]1CCSCC1 ZINC000277553072 387536257 /nfs/dbraw/zinc/53/62/57/387536257.db2.gz UJRXGIJVHKGSGB-UHFFFAOYSA-N 1 0 240.372 0.955 20 30 BCEDRO C#CC[N@@H+](CCN1CCCC1=O)C1CC1 ZINC000274223154 387465866 /nfs/dbraw/zinc/46/58/66/387465866.db2.gz VNFKYWKPVPQHAE-UHFFFAOYSA-N 1 0 206.289 0.706 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH2+]CC1 ZINC000424058367 387472038 /nfs/dbraw/zinc/47/20/38/387472038.db2.gz KVGNXCGVTZNTCH-MNOVXSKESA-N 1 0 224.304 0.399 20 30 BCEDRO C=CCCn1cc(C(=O)N2CC[C@H]([NH2+]C)C2)nn1 ZINC000424058587 387472523 /nfs/dbraw/zinc/47/25/23/387472523.db2.gz LQRYSLFGLUIVDC-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO CCn1nccc1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424059492 387472944 /nfs/dbraw/zinc/47/29/44/387472944.db2.gz BSHISHYARSZMHJ-VIFPVBQESA-N 1 0 235.291 0.863 20 30 BCEDRO CC[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC000424080321 387480568 /nfs/dbraw/zinc/48/05/68/387480568.db2.gz HWALOKSQNNTCKP-WDEREUQCSA-N 1 0 239.319 0.645 20 30 BCEDRO CN(C[C@@H]1CCCO1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424080469 387481005 /nfs/dbraw/zinc/48/10/05/387481005.db2.gz IGWYLJCOQYWQMJ-QWRGUYRKSA-N 1 0 239.319 0.645 20 30 BCEDRO C#CC[N@@H+](CC)C[C@](C)(O)C(=O)OCC ZINC000274582833 387481802 /nfs/dbraw/zinc/48/18/02/387481802.db2.gz IBSYIINWPZEKKX-NSHDSACASA-N 1 0 213.277 0.256 20 30 BCEDRO CC(C)OCCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424085023 387485145 /nfs/dbraw/zinc/48/51/45/387485145.db2.gz YVMIDTOIYVTTGS-NSHDSACASA-N 1 0 241.335 0.939 20 30 BCEDRO CC1CC(NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424122504 387587356 /nfs/dbraw/zinc/58/73/56/387587356.db2.gz JNDHMGLCENRVCQ-RTBKNWGFSA-N 1 0 209.293 0.922 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000527520774 387592037 /nfs/dbraw/zinc/59/20/37/387592037.db2.gz UETAIQVXPUDQDT-LLVKDONJSA-N 1 0 236.319 0.707 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC(C)(C)CC[NH3+] ZINC000422623810 387609231 /nfs/dbraw/zinc/60/92/31/387609231.db2.gz XPGHKAWZHUJAMU-ZJUUUORDSA-N 1 0 241.335 0.757 20 30 BCEDRO C=CCOc1cccnc1C(=O)NCC[NH3+] ZINC000422687970 387610090 /nfs/dbraw/zinc/61/00/90/387610090.db2.gz CGFCJJRVFIKDOW-UHFFFAOYSA-N 1 0 221.260 0.335 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)NCCC1CC1 ZINC000424120375 387577687 /nfs/dbraw/zinc/57/76/87/387577687.db2.gz GYULVNSGPMJEQX-JTQLQIEISA-N 1 0 209.293 0.924 20 30 BCEDRO C=CCOc1cccnc1C(=O)NCCC[NH2+]C ZINC000422732316 387640307 /nfs/dbraw/zinc/64/03/07/387640307.db2.gz OAEAQTWEYBQAAF-UHFFFAOYSA-N 1 0 249.314 0.986 20 30 BCEDRO COC[C@H](CO)[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000353099434 387644358 /nfs/dbraw/zinc/64/43/58/387644358.db2.gz WWKKLRNMVZVYHZ-ZDUSSCGKSA-N 1 0 234.299 0.964 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000424135900 387657026 /nfs/dbraw/zinc/65/70/26/387657026.db2.gz ZZGITOAZMNXXRQ-OUAUKWLOSA-N 1 0 237.303 0.397 20 30 BCEDRO C[NH+](C)CCNC(=O)NCC1(CC#N)CC1 ZINC000431191942 387685881 /nfs/dbraw/zinc/68/58/81/387685881.db2.gz FSXDVMTZPRLBED-UHFFFAOYSA-N 1 0 224.308 0.541 20 30 BCEDRO CN(CCn1cccn1)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424140576 387693514 /nfs/dbraw/zinc/69/35/14/387693514.db2.gz GHPROWMEXDQFNN-NSHDSACASA-N 1 0 249.318 0.363 20 30 BCEDRO C[C@@H]1CSCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424143379 387748073 /nfs/dbraw/zinc/74/80/73/387748073.db2.gz QYPZYGJQBAXCKG-ZJUUUORDSA-N 1 0 241.360 0.971 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCSC1 ZINC000328048538 387762201 /nfs/dbraw/zinc/76/22/01/387762201.db2.gz YTSQFBHJIQKSBG-LLVKDONJSA-N 1 0 240.372 0.811 20 30 BCEDRO C[C@H]1CN(C)CCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424145704 387769137 /nfs/dbraw/zinc/76/91/37/387769137.db2.gz OGYBPJVCIAKEGC-QWRGUYRKSA-N 1 0 238.335 0.170 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)[C@@H]2CCCO2)C1 ZINC000527957655 387784173 /nfs/dbraw/zinc/78/41/73/387784173.db2.gz RWSGVXFZVBJRJV-RHYQMDGZSA-N 1 0 224.304 0.808 20 30 BCEDRO CN(C(=O)[C@H]([NH3+])CCCC#N)[C@@H]1CCSC1 ZINC000424151969 387794913 /nfs/dbraw/zinc/79/49/13/387794913.db2.gz IWNVXKLMTSRZCA-NXEZZACHSA-N 1 0 241.360 0.971 20 30 BCEDRO C=CCCC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000452345756 387806923 /nfs/dbraw/zinc/80/69/23/387806923.db2.gz FRUQOSHGMJCPSE-GFCCVEGCSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C(C)CN(C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418303084 387807191 /nfs/dbraw/zinc/80/71/91/387807191.db2.gz VENLIXAPKOOIDZ-UHFFFAOYSA-N 1 0 240.351 0.109 20 30 BCEDRO C=CCCN(C)C(=O)NCCN1CC[NH2+]CC1 ZINC000418303443 387808347 /nfs/dbraw/zinc/80/83/47/387808347.db2.gz VSTJPXPQJQHYGK-UHFFFAOYSA-N 1 0 240.351 0.109 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@@H](C)CC[NH3+])nn1 ZINC000424153864 387811157 /nfs/dbraw/zinc/81/11/57/387811157.db2.gz LTPSHAIUCCHGNL-VIFPVBQESA-N 1 0 237.307 0.321 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@]1(C)CCCO1 ZINC000328053822 387821924 /nfs/dbraw/zinc/82/19/24/387821924.db2.gz ZTUDWPKEHQSLLW-CYBMUJFWSA-N 1 0 238.331 0.627 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1([NH3+])CCC1 ZINC000424157002 387826298 /nfs/dbraw/zinc/82/62/98/387826298.db2.gz QFIUBFVLYMWVPL-MNOVXSKESA-N 1 0 238.331 0.965 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NCC[NH2+]CC ZINC000418323124 387828634 /nfs/dbraw/zinc/82/86/34/387828634.db2.gz HLEWTVBBFPBHRT-SNVBAGLBSA-N 1 0 229.324 0.080 20 30 BCEDRO C[C@@H]1COCCN1CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000442786586 387839713 /nfs/dbraw/zinc/83/97/13/387839713.db2.gz UDVJLZXDSRZJOM-FRRDWIJNSA-N 1 0 237.347 0.989 20 30 BCEDRO C[C@@H]1[C@H](C)OCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000424162094 387844377 /nfs/dbraw/zinc/84/43/77/387844377.db2.gz ZFTQSBCPBYOZHE-VWYCJHECSA-N 1 0 239.319 0.643 20 30 BCEDRO C=CCn1cc(CN[C@H]2C[N@H+](CC)C[C@H]2C)nn1 ZINC000424166820 387852967 /nfs/dbraw/zinc/85/29/67/387852967.db2.gz BKTQEDUEENFPKS-YPMHNXCESA-N 1 0 249.362 0.894 20 30 BCEDRO C=CCn1cc(CN[C@@H]2C[N@H+](CC)C[C@@H]2C)nn1 ZINC000424166818 387854427 /nfs/dbraw/zinc/85/44/27/387854427.db2.gz BKTQEDUEENFPKS-WCQYABFASA-N 1 0 249.362 0.894 20 30 BCEDRO Cn1nccc1CNC[C@H](C#N)CCC#N ZINC000582660249 387868698 /nfs/dbraw/zinc/86/86/98/387868698.db2.gz CLCCCZRNIJIZRU-JTQLQIEISA-N 1 0 217.276 0.953 20 30 BCEDRO C=CCCC(=O)NC[C@@H]1CCCC[N@H+]1CCO ZINC000452386252 387814312 /nfs/dbraw/zinc/81/43/12/387814312.db2.gz FDRCNPIRZFOLTE-LBPRGKRZSA-N 1 0 240.347 0.916 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1O ZINC000424180201 387891100 /nfs/dbraw/zinc/89/11/00/387891100.db2.gz NFKGMDHUDNMZGT-GMTAPVOTSA-N 1 0 239.319 0.427 20 30 BCEDRO C=C(C)CCNC(=O)[C@H]1CN(C)CCO1 ZINC000452720862 387897908 /nfs/dbraw/zinc/89/79/08/387897908.db2.gz XYDPXRKOEDTLRG-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO CC#CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000418344726 387917897 /nfs/dbraw/zinc/91/78/97/387917897.db2.gz KTUSISJXJZJHBG-NSHDSACASA-N 1 0 223.320 0.699 20 30 BCEDRO COC(=O)[C@H](C)N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424185436 387904551 /nfs/dbraw/zinc/90/45/51/387904551.db2.gz ZXCVPPRRCFQAFW-DTWKUNHWSA-N 1 0 241.291 0.027 20 30 BCEDRO C#C[C@@H](NC(=[NH2+])N1CCOCC1)C(C)(C)C ZINC000262337610 533220998 /nfs/dbraw/zinc/22/09/98/533220998.db2.gz XMOSOHQIVKOTNY-SNVBAGLBSA-N 1 0 223.320 0.681 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]2CC[C@H]([NH3+])C2)nn1 ZINC000424215362 387933198 /nfs/dbraw/zinc/93/31/98/387933198.db2.gz ZXHQMSYGOOGXPJ-ZJUUUORDSA-N 1 0 249.318 0.208 20 30 BCEDRO CC(C)[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424217042 387934472 /nfs/dbraw/zinc/93/44/72/387934472.db2.gz KFNNWNCWVHOYDE-IVZWLZJFSA-N 1 0 209.293 0.778 20 30 BCEDRO C[C@@H](C(=O)N[C@@H]1CC[C@H](C#N)C1)[C@H](C)[NH3+] ZINC000424218569 387934915 /nfs/dbraw/zinc/93/49/15/387934915.db2.gz VBNPEJULCYJNAS-XFWSIPNHSA-N 1 0 209.293 0.778 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CC[NH2+]C2)C1 ZINC000424217310 387935008 /nfs/dbraw/zinc/93/50/08/387935008.db2.gz KVJIPOQIUGGQKX-LPEHRKFASA-N 1 0 207.277 0.404 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000424284614 387951992 /nfs/dbraw/zinc/95/19/92/387951992.db2.gz CTPDQKJSJRNNGY-GUBZILKMSA-N 1 0 212.293 0.431 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1CC(CC(=O)OC)C1 ZINC000424288106 387952728 /nfs/dbraw/zinc/95/27/28/387952728.db2.gz YKQQPHTZWILWIA-UHFFFAOYSA-N 1 0 240.303 0.220 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H](C)[C@H]2CCOC2)nn1 ZINC000424293095 387954294 /nfs/dbraw/zinc/95/42/94/387954294.db2.gz HZMPTYFIGLVLET-MNOVXSKESA-N 1 0 236.319 0.979 20 30 BCEDRO C=CCn1cc(C[NH2+]C2CCC(O)CC2)nn1 ZINC000424292748 387954610 /nfs/dbraw/zinc/95/46/10/387954610.db2.gz HFYSQEAOHDQZTI-UHFFFAOYSA-N 1 0 236.319 0.857 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000245399100 387944071 /nfs/dbraw/zinc/94/40/71/387944071.db2.gz VPRWQAASCFWZMD-CHWSQXEVSA-N 1 0 249.358 0.294 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000044828083 387945056 /nfs/dbraw/zinc/94/50/56/387945056.db2.gz IXBPGSINFCQQKJ-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO C[C@H](C#N)CN(C)CC[N@@H+]1CCCOCC1 ZINC000438977354 387970028 /nfs/dbraw/zinc/97/00/28/387970028.db2.gz KMFDCBMICDIZRN-GFCCVEGCSA-N 1 0 225.336 0.800 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000445811315 387970499 /nfs/dbraw/zinc/97/04/99/387970499.db2.gz RCIHZYGEXAWBKG-CYBMUJFWSA-N 1 0 244.298 0.762 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@H](C)C[NH3+] ZINC000424457702 388014424 /nfs/dbraw/zinc/01/44/24/388014424.db2.gz AOTPHWSEGCEOQW-VWYCJHECSA-N 1 0 241.335 0.472 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000071128776 388014627 /nfs/dbraw/zinc/01/46/27/388014627.db2.gz BRCNTPODZLALPK-GHMZBOCLSA-N 1 0 221.304 0.843 20 30 BCEDRO CC(C)[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000446737839 388035120 /nfs/dbraw/zinc/03/51/20/388035120.db2.gz BWUGLEAHJHIBAV-JTQLQIEISA-N 1 0 209.293 0.604 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440335084 388038196 /nfs/dbraw/zinc/03/81/96/388038196.db2.gz FNEYZLJODROUPZ-GHMZBOCLSA-N 1 0 246.376 0.870 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@@H](O)CO[C@@H](C)COC ZINC000447296810 388061526 /nfs/dbraw/zinc/06/15/26/388061526.db2.gz RYPHQALOSQLUCN-NWDGAFQWSA-N 1 0 231.336 0.907 20 30 BCEDRO C=C(C)C[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000447384531 388067633 /nfs/dbraw/zinc/06/76/33/388067633.db2.gz MWXUOLYOYPITGL-STQMWFEESA-N 1 0 243.347 0.908 20 30 BCEDRO C=CCn1cc(C(=O)NC2CC[NH+](C)CC2)nn1 ZINC000648718154 388098089 /nfs/dbraw/zinc/09/80/89/388098089.db2.gz SPOFCCGCOAMRJT-UHFFFAOYSA-N 1 0 249.318 0.288 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)CC[C@H]2C)C1=O ZINC000646145149 388156674 /nfs/dbraw/zinc/15/66/74/388156674.db2.gz ZSKHXCHMYXMNRM-IJLUTSLNSA-N 1 0 238.331 0.619 20 30 BCEDRO C=CCOCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000646191778 388162129 /nfs/dbraw/zinc/16/21/29/388162129.db2.gz RNQDSYVESJKWMX-VHSXEESVSA-N 1 0 229.324 0.614 20 30 BCEDRO C=CCC(CC=C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000646208627 388165187 /nfs/dbraw/zinc/16/51/87/388165187.db2.gz CYPJNWQHONPLRH-LBPRGKRZSA-N 1 0 240.347 0.794 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448920388 388120439 /nfs/dbraw/zinc/12/04/39/388120439.db2.gz GLCUQUDYOFXYJW-WZRBSPASSA-N 1 0 233.315 0.843 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000448920385 388120807 /nfs/dbraw/zinc/12/08/07/388120807.db2.gz GLCUQUDYOFXYJW-MDZLAQPJSA-N 1 0 233.315 0.843 20 30 BCEDRO C#CC(C)(C)NC(=O)CN1CC[NH+](CC)CC1 ZINC000490778655 388253297 /nfs/dbraw/zinc/25/32/97/388253297.db2.gz IFNKVNYISRNJKF-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCN(CC)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000490780878 388254316 /nfs/dbraw/zinc/25/43/16/388254316.db2.gz SIZBAGWLSREFLT-RYUDHWBXSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CC[N@H+](CC#CC)CCC(=O)N(C)CC ZINC000490839101 388256328 /nfs/dbraw/zinc/25/63/28/388256328.db2.gz GEABECKZOHRNAG-UHFFFAOYSA-N 1 0 220.316 0.813 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CC(C)(C)OC ZINC000490850981 388256852 /nfs/dbraw/zinc/25/68/52/388256852.db2.gz DCMPVRBQYJYBBE-JTQLQIEISA-N 1 0 226.320 0.481 20 30 BCEDRO C=C[C@H]1CCCC[N@H+]1CCCS(N)(=O)=O ZINC000489403941 388211339 /nfs/dbraw/zinc/21/13/39/388211339.db2.gz LQYQHSFGQPDNQW-JTQLQIEISA-N 1 0 232.349 0.706 20 30 BCEDRO C=C[C@@H]1CCCC[N@H+]1CCCS(N)(=O)=O ZINC000489403942 388211468 /nfs/dbraw/zinc/21/14/68/388211468.db2.gz LQYQHSFGQPDNQW-SNVBAGLBSA-N 1 0 232.349 0.706 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449591699 388238984 /nfs/dbraw/zinc/23/89/84/388238984.db2.gz QQQVWMVXFBRWTO-LPEHRKFASA-N 1 0 214.309 0.820 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(CC)CCO)CC1 ZINC000490575694 388241058 /nfs/dbraw/zinc/24/10/58/388241058.db2.gz ULVJYXBGUHIPGP-UHFFFAOYSA-N 1 0 238.331 0.172 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)CC#N)CC1 ZINC000490594515 388241109 /nfs/dbraw/zinc/24/11/09/388241109.db2.gz QVWUFIRZLDCBIN-UHFFFAOYSA-N 1 0 219.288 0.314 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000490594564 388241799 /nfs/dbraw/zinc/24/17/99/388241799.db2.gz SQOWBNVUJMAMEB-SECBINFHSA-N 1 0 207.277 0.156 20 30 BCEDRO C#CC[N@@H+](CC)[C@H](C)CN1CCOCC1 ZINC000490924216 388260313 /nfs/dbraw/zinc/26/03/13/388260313.db2.gz OGAFPZJQBNOSAW-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CC[NH+](C2CCC2)CC1 ZINC000490656720 388245599 /nfs/dbraw/zinc/24/55/99/388245599.db2.gz MDLONENWGGRXFB-GFCCVEGCSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000490650026 388245883 /nfs/dbraw/zinc/24/58/83/388245883.db2.gz JPVCVQFDKPXNPC-LLVKDONJSA-N 1 0 235.331 0.888 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000490669594 388246738 /nfs/dbraw/zinc/24/67/38/388246738.db2.gz IAKBAILLXSTXQV-LLVKDONJSA-N 1 0 223.320 0.601 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H](C)CC[NH+](C)C ZINC000490689763 388247501 /nfs/dbraw/zinc/24/75/01/388247501.db2.gz PJKDWWJXBMVRAT-CYBMUJFWSA-N 1 0 249.358 0.995 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000490697232 388247914 /nfs/dbraw/zinc/24/79/14/388247914.db2.gz JTFDYDFANSPMFV-ZJUUUORDSA-N 1 0 209.293 0.402 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000490697231 388248016 /nfs/dbraw/zinc/24/80/16/388248016.db2.gz JTFDYDFANSPMFV-VHSXEESVSA-N 1 0 209.293 0.402 20 30 BCEDRO COC(=O)N1CCC(=[NH+]n2cnnc2)CC1 ZINC000490692960 388248222 /nfs/dbraw/zinc/24/82/22/388248222.db2.gz WXOHYTSOGFHDGU-UHFFFAOYSA-N 1 0 223.236 0.344 20 30 BCEDRO C#C[C@H](CCC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000491286192 388282304 /nfs/dbraw/zinc/28/23/04/388282304.db2.gz HAGOJZHNFSSUDV-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C#C[C@H](CCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000491286194 388282372 /nfs/dbraw/zinc/28/23/72/388282372.db2.gz HAGOJZHNFSSUDV-MNOVXSKESA-N 1 0 208.305 0.999 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCN1CCO[C@H](C)C1 ZINC000451606278 388283349 /nfs/dbraw/zinc/28/33/49/388283349.db2.gz HKDKIUZUEKSCBA-UPJWGTAASA-N 1 0 240.347 0.640 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000451610494 388283749 /nfs/dbraw/zinc/28/37/49/388283749.db2.gz GEHLLTUCRBHZQG-XQQFMLRXSA-N 1 0 240.347 0.375 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCN1CCCOCC1 ZINC000451612012 388283971 /nfs/dbraw/zinc/28/39/71/388283971.db2.gz JMRZTQPNWRFPIK-OLZOCXBDSA-N 1 0 240.347 0.642 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC1(C(=O)OC)CC1 ZINC000451611506 388284098 /nfs/dbraw/zinc/28/40/98/388284098.db2.gz INJGSYMRIYMNCU-ZJUUUORDSA-N 1 0 225.288 0.873 20 30 BCEDRO C#CC[N@@H+](C[C@@H]1CCCNC1=O)C1CC1 ZINC000491338107 388286021 /nfs/dbraw/zinc/28/60/21/388286021.db2.gz GEKXIOBFFKJMDQ-JTQLQIEISA-N 1 0 206.289 0.610 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@H]1CCC[NH2+]1)C(C)C ZINC000491338412 388286217 /nfs/dbraw/zinc/28/62/17/388286217.db2.gz IFGIJGDRZIZZQX-GHMZBOCLSA-N 1 0 223.320 0.695 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000491338017 388286239 /nfs/dbraw/zinc/28/62/39/388286239.db2.gz FQOZHXLDYHJLDL-UWVGGRQHSA-N 1 0 209.293 0.436 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H]([NH3+])C1CC1)C(C)C ZINC000491338864 388286690 /nfs/dbraw/zinc/28/66/90/388286690.db2.gz LYRCMXHTJCKMJI-MNOVXSKESA-N 1 0 223.320 0.681 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)COCCCC ZINC000491348083 388286903 /nfs/dbraw/zinc/28/69/03/388286903.db2.gz BXAMMYWSNCLEIB-UHFFFAOYSA-N 1 0 240.347 0.874 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000451649361 388287915 /nfs/dbraw/zinc/28/79/15/388287915.db2.gz BOMFDXAVDCXATM-TXEJJXNPSA-N 1 0 212.337 0.949 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1CC(F)(F)C1 ZINC000491382585 388290103 /nfs/dbraw/zinc/29/01/03/388290103.db2.gz IXONJLNBTNBQGW-UHFFFAOYSA-N 1 0 216.231 0.513 20 30 BCEDRO C#CCN([C@@H](C)C(=O)NC(=O)NCC)C1CC1 ZINC000491395967 388292064 /nfs/dbraw/zinc/29/20/64/388292064.db2.gz VWDNIMQSMNPDHY-VIFPVBQESA-N 1 0 237.303 0.318 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000491417220 388293092 /nfs/dbraw/zinc/29/30/92/388293092.db2.gz MUGHJIJTWGGSDG-RYUDHWBXSA-N 1 0 223.247 0.443 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000491417217 388293369 /nfs/dbraw/zinc/29/33/69/388293369.db2.gz MUGHJIJTWGGSDG-NEPJUHHUSA-N 1 0 223.247 0.443 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1ccccn1 ZINC000491419763 388293402 /nfs/dbraw/zinc/29/34/02/388293402.db2.gz VZGKOOUPWPUZJP-UHFFFAOYSA-N 1 0 231.299 0.353 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccnc1OC ZINC000491429110 388294358 /nfs/dbraw/zinc/29/43/58/388294358.db2.gz RYUDUEUIQSOYBM-UHFFFAOYSA-N 1 0 247.298 0.319 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)CSC ZINC000491440947 388294951 /nfs/dbraw/zinc/29/49/51/388294951.db2.gz SCPJDIKGEQIHOO-JTQLQIEISA-N 1 0 228.361 0.857 20 30 BCEDRO C#CCN(C(=O)NCC[C@H]1CCC[NH2+]1)C1CC1 ZINC000491474476 388297181 /nfs/dbraw/zinc/29/71/81/388297181.db2.gz MYTRXXZPVXEFBE-LLVKDONJSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cnc(C2CC2)o1 ZINC000491485714 388298184 /nfs/dbraw/zinc/29/81/84/388298184.db2.gz QNSUUVZFKBELSY-UHFFFAOYSA-N 1 0 247.298 0.781 20 30 BCEDRO C#CCN1CCN(CN2C(=O)CCC2(C)C)CC1 ZINC000491494738 388298740 /nfs/dbraw/zinc/29/87/40/388298740.db2.gz FFWXIYKUIGPKAV-UHFFFAOYSA-N 1 0 249.358 0.596 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491496416 388299345 /nfs/dbraw/zinc/29/93/45/388299345.db2.gz QHMJYEYTKCNTBA-GHMZBOCLSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@@H](C)C#C)CC1 ZINC000491515506 388300424 /nfs/dbraw/zinc/30/04/24/388300424.db2.gz NYEBJGMXQWYEON-LBPRGKRZSA-N 1 0 232.327 0.812 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NCCCF ZINC000491537113 388301921 /nfs/dbraw/zinc/30/19/21/388301921.db2.gz OJMCLWMXYGIULV-UHFFFAOYSA-N 1 0 229.299 0.600 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cc(C)nc(C)c1 ZINC000491542995 388302616 /nfs/dbraw/zinc/30/26/16/388302616.db2.gz DUNQAAHEHGVSMS-UHFFFAOYSA-N 1 0 245.326 0.928 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC(F)(F)F ZINC000491546809 388303081 /nfs/dbraw/zinc/30/30/81/388303081.db2.gz XRNYKTUUUBSRGZ-UHFFFAOYSA-N 1 0 222.210 0.668 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1[C@@H](C)C1(F)F ZINC000491569519 388303865 /nfs/dbraw/zinc/30/38/65/388303865.db2.gz WHQMYGYUZMOMEO-ZJUUUORDSA-N 1 0 244.285 0.959 20 30 BCEDRO C#CCN(CC#C)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000491569741 388303960 /nfs/dbraw/zinc/30/39/60/388303960.db2.gz XNJZDOFRBVJJNT-LBPRGKRZSA-N 1 0 218.300 0.423 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C1CCOCC1 ZINC000491615038 388304643 /nfs/dbraw/zinc/30/46/43/388304643.db2.gz AJLNKZGSZRBKDN-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCNC(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000491617671 388305061 /nfs/dbraw/zinc/30/50/61/388305061.db2.gz KRCWCNLUMNYMPW-NSHDSACASA-N 1 0 217.272 0.619 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1nccs1 ZINC000491624934 388305847 /nfs/dbraw/zinc/30/58/47/388305847.db2.gz HJQZLPHCLXEVDD-UHFFFAOYSA-N 1 0 237.328 0.415 20 30 BCEDRO C#CCN1CCN(c2cc[nH+]cc2OC)CC1 ZINC000491626601 388305852 /nfs/dbraw/zinc/30/58/52/388305852.db2.gz LOXFYZLABKGFQM-UHFFFAOYSA-N 1 0 231.299 0.845 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCC[C@H]1COC ZINC000491631803 388306636 /nfs/dbraw/zinc/30/66/36/388306636.db2.gz RRDIPUICMFNVDP-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1cccc(C)n1 ZINC000491631429 388306784 /nfs/dbraw/zinc/30/67/84/388306784.db2.gz QIGRWDLTONNPGI-UHFFFAOYSA-N 1 0 245.326 0.662 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)C[C@@H](C)CO ZINC000491634901 388306980 /nfs/dbraw/zinc/30/69/80/388306980.db2.gz SXQXVCRTBQENGP-NEPJUHHUSA-N 1 0 240.347 0.513 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)C(C)C ZINC000491643430 388307629 /nfs/dbraw/zinc/30/76/29/388307629.db2.gz FQZFCIPHLNKTOO-IUCAKERBSA-N 1 0 247.289 0.926 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C(C)C ZINC000491643431 388307660 /nfs/dbraw/zinc/30/76/60/388307660.db2.gz FQZFCIPHLNKTOO-RKDXNWHRSA-N 1 0 247.289 0.926 20 30 BCEDRO C#CCN(C)Cc1cccc(C(=O)OC)n1 ZINC000491663632 388309290 /nfs/dbraw/zinc/30/92/90/388309290.db2.gz NIDOBFRUIOUIJE-UHFFFAOYSA-N 1 0 218.256 0.933 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NCc1cc[nH]n1 ZINC000491665654 388309458 /nfs/dbraw/zinc/30/94/58/388309458.db2.gz UXKFRZQUBDFRTH-UHFFFAOYSA-N 1 0 249.318 0.164 20 30 BCEDRO C#CCO[C@H](C)C(=O)OC[C@@H]1CCC[N@@H+]1CC#C ZINC000491672272 388309936 /nfs/dbraw/zinc/30/99/36/388309936.db2.gz ROXHWZMSBQGDHT-OLZOCXBDSA-N 1 0 249.310 0.666 20 30 BCEDRO C#CCN(CC(=O)N(C)CC1CC1)C1CC1 ZINC000491674326 388310109 /nfs/dbraw/zinc/31/01/09/388310109.db2.gz WWFXWTHKJMTAMT-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](CCC)C1 ZINC000491677931 388310173 /nfs/dbraw/zinc/31/01/73/388310173.db2.gz RYBZTSAPPBXAQO-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CCN1CCC[C@@H]([NH+](C)C)C1 ZINC000491689609 388310995 /nfs/dbraw/zinc/31/09/95/388310995.db2.gz JFDZXEBECCUUDM-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CC(C)(C)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000491690166 388311310 /nfs/dbraw/zinc/31/13/10/388311310.db2.gz LGRGDLUMSOMDHC-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)[C@@H](C)CCC ZINC000491693541 388311473 /nfs/dbraw/zinc/31/14/73/388311473.db2.gz CZVWHUNHVWKBNX-NWDGAFQWSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C1CC1 ZINC000491697866 388312092 /nfs/dbraw/zinc/31/20/92/388312092.db2.gz ARYVTOXVDAFNFG-ZYHUDNBSSA-N 1 0 235.331 0.792 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)OC[C@@H]1CC ZINC000491701420 388312529 /nfs/dbraw/zinc/31/25/29/388312529.db2.gz WOGPVZNMDMAAPV-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000491701566 388312731 /nfs/dbraw/zinc/31/27/31/388312731.db2.gz QHLDCDFEVMATGH-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C#C[C@@H](NC(=O)NCCC[NH2+]C)C(C)C ZINC000491702758 388312859 /nfs/dbraw/zinc/31/28/59/388312859.db2.gz IRTOACRYKRDSAB-SNVBAGLBSA-N 1 0 211.309 0.553 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000491704713 388313087 /nfs/dbraw/zinc/31/30/87/388313087.db2.gz PGELQIPFXSJIOJ-VHSXEESVSA-N 1 0 209.293 0.259 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000491704712 388313125 /nfs/dbraw/zinc/31/31/25/388313125.db2.gz PGELQIPFXSJIOJ-UWVGGRQHSA-N 1 0 209.293 0.259 20 30 BCEDRO C#CCNC(=O)N1CC[NH2+]C[C@H]1CCC ZINC000491724930 388314779 /nfs/dbraw/zinc/31/47/79/388314779.db2.gz GRKPGVLJRVIPRM-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)c1ccccc1 ZINC000491739013 388316606 /nfs/dbraw/zinc/31/66/06/388316606.db2.gz PODWSBHNHBVOSA-CYBMUJFWSA-N 1 0 246.310 0.449 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([N@H+]2CCC(C)=C(C)C2)C1=O ZINC000491739241 388316645 /nfs/dbraw/zinc/31/66/45/388316645.db2.gz XJRJDFWHCDITLW-GFCCVEGCSA-N 1 0 246.310 0.789 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)c1ccccc1 ZINC000491739082 388316680 /nfs/dbraw/zinc/31/66/80/388316680.db2.gz PODWSBHNHBVOSA-ZDUSSCGKSA-N 1 0 246.310 0.449 20 30 BCEDRO C#CCN1CC[NH+](C2CCOCC2)CC1 ZINC000491751805 388317953 /nfs/dbraw/zinc/31/79/53/388317953.db2.gz XJOHWUUFJYCZBY-UHFFFAOYSA-N 1 0 208.305 0.416 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)N(C)C)C1 ZINC000491760695 388318617 /nfs/dbraw/zinc/31/86/17/388318617.db2.gz SFLNWFNPCZFTBY-SNVBAGLBSA-N 1 0 209.293 0.355 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000491771024 388319045 /nfs/dbraw/zinc/31/90/45/388319045.db2.gz NRNJEDFYJUDXHY-GHMZBOCLSA-N 1 0 239.319 0.076 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000491776079 388319815 /nfs/dbraw/zinc/31/98/15/388319815.db2.gz CAYQXCXSBVQQFF-LBPRGKRZSA-N 1 0 237.347 0.993 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000491775796 388319980 /nfs/dbraw/zinc/31/99/80/388319980.db2.gz DKAPMLARCSRQOJ-UPJWGTAASA-N 1 0 222.332 0.803 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1nccn1CC ZINC000491780531 388320299 /nfs/dbraw/zinc/32/02/99/388320299.db2.gz DPEWRTWHUDIFEP-NSHDSACASA-N 1 0 248.330 0.693 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CCCC1 ZINC000491784340 388320868 /nfs/dbraw/zinc/32/08/68/388320868.db2.gz QJNPXJMYYWEFQU-ITGUQSILSA-N 1 0 247.342 0.792 20 30 BCEDRO C#CCN(C)C(=O)c1ccc(-n2ccnc2)nn1 ZINC000491791674 388321297 /nfs/dbraw/zinc/32/12/97/388321297.db2.gz ARCMSUJJDPPDCT-UHFFFAOYSA-N 1 0 241.254 0.368 20 30 BCEDRO C#CCN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000491807391 388322199 /nfs/dbraw/zinc/32/21/99/388322199.db2.gz SOJGIBWGCNIYIB-UHFFFAOYSA-N 1 0 210.321 0.445 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C(C)C ZINC000491810969 388322730 /nfs/dbraw/zinc/32/27/30/388322730.db2.gz ATEVBZRFQSHJTI-SRVKXCTJSA-N 1 0 237.347 0.941 20 30 BCEDRO C#CC[NH+](CC#C)CCCc1cncn1C ZINC000491809939 388322800 /nfs/dbraw/zinc/32/28/00/388322800.db2.gz HDGIYPOLVSTUEV-UHFFFAOYSA-N 1 0 215.300 0.921 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000491816307 388323132 /nfs/dbraw/zinc/32/31/32/388323132.db2.gz WCIJKVNNNRRJND-XQQFMLRXSA-N 1 0 241.331 0.496 20 30 BCEDRO C#C[C@H](CC)NC(=O)C1CC[NH+](C)CC1 ZINC000491815781 388323264 /nfs/dbraw/zinc/32/32/64/388323264.db2.gz LSGKDJMNJHAQCH-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@H](CC)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000491820632 388323905 /nfs/dbraw/zinc/32/39/05/388323905.db2.gz YMAHBVSFPRRGSM-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000646336203 388262608 /nfs/dbraw/zinc/26/26/08/388262608.db2.gz KWWKWKXNAYYGGW-WDEREUQCSA-N 1 0 224.304 0.399 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@](C)(F)C1 ZINC000491069837 388267708 /nfs/dbraw/zinc/26/77/08/388267708.db2.gz YWTBMNHHLOVNEP-LLVKDONJSA-N 1 0 212.268 0.560 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCC=C=C)CC1 ZINC000491126696 388272010 /nfs/dbraw/zinc/27/20/10/388272010.db2.gz QYXBOWUNKKIXBN-UHFFFAOYSA-N 1 0 218.300 0.789 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C(C)C)[C@@H]1CCOC1 ZINC000491166688 388274491 /nfs/dbraw/zinc/27/44/91/388274491.db2.gz UBJOVNCAYWEUMN-GFCCVEGCSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NN2CCCC2)CC1 ZINC000491209163 388277092 /nfs/dbraw/zinc/27/70/92/388277092.db2.gz CLLSHOUBPLVENW-UHFFFAOYSA-N 1 0 235.331 0.459 20 30 BCEDRO C#C[C@H](C)N(C)Cc1c(C)n(C)nc1C(=O)OC ZINC000491243336 388279567 /nfs/dbraw/zinc/27/95/67/388279567.db2.gz WGWJWYKTCMYDPW-VIFPVBQESA-N 1 0 249.314 0.969 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)/C=C\C[NH+](C)C ZINC000492361785 388342576 /nfs/dbraw/zinc/34/25/76/388342576.db2.gz CDGZRQFPGFPDDY-XOIDGJRKSA-N 1 0 226.320 0.405 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000646369699 388346660 /nfs/dbraw/zinc/34/66/60/388346660.db2.gz KUVHCEANRWUHJB-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1CCC1 ZINC000277115849 388352810 /nfs/dbraw/zinc/35/28/10/388352810.db2.gz NBLVSFXRSYUDFN-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO CC1CCC(O)(C[NH2+]CC#CCO)CC1 ZINC000519548421 256651340 /nfs/dbraw/zinc/65/13/40/256651340.db2.gz QYBUMILNQBYBRY-UHFFFAOYSA-N 1 0 211.305 0.513 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(C#N)cc1 ZINC000595261767 388380225 /nfs/dbraw/zinc/38/02/25/388380225.db2.gz CVJIRDVFRPBESZ-SNVBAGLBSA-N 1 0 246.314 0.965 20 30 BCEDRO C=CCCOCC(=O)N(C)C1CC[NH2+]CC1 ZINC000646628348 388398444 /nfs/dbraw/zinc/39/84/44/388398444.db2.gz VXMVCYHDYUKRAH-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000646664544 388407085 /nfs/dbraw/zinc/40/70/85/388407085.db2.gz ULHOYWZPGUVVKA-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO COC[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000042504547 388444459 /nfs/dbraw/zinc/44/44/59/388444459.db2.gz BVICCZNMPBFFHW-ZDUSSCGKSA-N 1 0 234.299 0.997 20 30 BCEDRO COC[C@@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000042504559 388444767 /nfs/dbraw/zinc/44/47/67/388444767.db2.gz CRKJKARTJKPCJJ-ZDUSSCGKSA-N 1 0 234.299 0.997 20 30 BCEDRO CC#CC[NH2+]C(C)(C)CN1CCOCC1 ZINC000308646988 388447285 /nfs/dbraw/zinc/44/72/85/388447285.db2.gz IUKDEIBORPOHHI-UHFFFAOYSA-N 1 0 210.321 0.710 20 30 BCEDRO C=CCOCC[NH2+]C(C)(C)CN1CCOCC1 ZINC000308649034 388447306 /nfs/dbraw/zinc/44/73/06/388447306.db2.gz VRMGCWCORLTPQN-UHFFFAOYSA-N 1 0 242.363 0.889 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000646739092 388449399 /nfs/dbraw/zinc/44/93/99/388449399.db2.gz JNHVBNNMTNMDCX-ZDUSSCGKSA-N 1 0 248.326 0.782 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@@H](C)[NH3+] ZINC000194945631 388457658 /nfs/dbraw/zinc/45/76/58/388457658.db2.gz BRJGOMYKWXWZSO-BDAKNGLRSA-N 1 0 200.282 0.431 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@H](C)[NH3+] ZINC000194945596 388458104 /nfs/dbraw/zinc/45/81/04/388458104.db2.gz BRJGOMYKWXWZSO-DTWKUNHWSA-N 1 0 200.282 0.431 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1ccnc(C#N)c1 ZINC000194975338 388458414 /nfs/dbraw/zinc/45/84/14/388458414.db2.gz ULWDDNCCIVBJTF-UHFFFAOYSA-N 1 0 232.287 0.635 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1nccn1C ZINC000336658835 388460682 /nfs/dbraw/zinc/46/06/82/388460682.db2.gz BEUVDFDMOUFAQF-JTQLQIEISA-N 1 0 209.293 0.694 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000646664541 388407277 /nfs/dbraw/zinc/40/72/77/388407277.db2.gz ULHOYWZPGUVVKA-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO CN(CC[N@H+](C)C1CC1)c1c(C#N)cnn1C ZINC000596193143 388408680 /nfs/dbraw/zinc/40/86/80/388408680.db2.gz CBJOKSJBJROOAS-UHFFFAOYSA-N 1 0 233.319 0.822 20 30 BCEDRO C=CCOCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000524775792 388408709 /nfs/dbraw/zinc/40/87/09/388408709.db2.gz RNYOIPSNMQMLCU-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCOCC[NH2+][C@]1(CCOC)CCOC1 ZINC000339129835 388479118 /nfs/dbraw/zinc/47/91/18/388479118.db2.gz FDLJKQUGYAOIED-GFCCVEGCSA-N 1 0 229.320 0.974 20 30 BCEDRO C[C@H](CNC(=O)c1c[nH]c(C#N)c1)[NH+](C)C ZINC000272001428 388418275 /nfs/dbraw/zinc/41/82/75/388418275.db2.gz OBUKIRJPOGLILM-MRVPVSSYSA-N 1 0 220.276 0.566 20 30 BCEDRO CCC[C@H](C#N)NC(=O)[C@H]1CN(CC)CCO1 ZINC000525178164 388419181 /nfs/dbraw/zinc/41/91/81/388419181.db2.gz QVDRMRMNFWKDDE-GHMZBOCLSA-N 1 0 239.319 0.516 20 30 BCEDRO C=CCOCC(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000378768958 388500038 /nfs/dbraw/zinc/50/00/38/388500038.db2.gz DXRNCOKEFLFKRR-IUCAKERBSA-N 1 0 216.256 0.005 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000178996001 388508459 /nfs/dbraw/zinc/50/84/59/388508459.db2.gz DVVVNCBDZLYJNX-SSDOTTSWSA-N 1 0 228.296 0.140 20 30 BCEDRO C=CCNC(=O)CN[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000347348239 388522295 /nfs/dbraw/zinc/52/22/95/388522295.db2.gz UDLCGQUQQUSQQB-NWDGAFQWSA-N 1 0 237.347 0.505 20 30 BCEDRO CC#CCNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000516979426 388529336 /nfs/dbraw/zinc/52/93/36/388529336.db2.gz PCEXYIYASBXXEL-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000136319052 388530520 /nfs/dbraw/zinc/53/05/20/388530520.db2.gz IOOAUZYVMVMBQN-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000136319005 388530674 /nfs/dbraw/zinc/53/06/74/388530674.db2.gz IOOAUZYVMVMBQN-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000136318927 388530897 /nfs/dbraw/zinc/53/08/97/388530897.db2.gz IOOAUZYVMVMBQN-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCCCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000516244774 256771176 /nfs/dbraw/zinc/77/11/76/256771176.db2.gz HUAAKGWSYVOZTH-SNVBAGLBSA-N 1 0 232.349 0.706 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)Cc1ccc(CC#N)cc1 ZINC000351949003 388536090 /nfs/dbraw/zinc/53/60/90/388536090.db2.gz KQTKBFNBDFTUQW-GFCCVEGCSA-N 1 0 248.326 0.928 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000328285205 388590690 /nfs/dbraw/zinc/59/06/90/388590690.db2.gz QECSBXAEQQVHOP-STQMWFEESA-N 1 0 224.348 0.956 20 30 BCEDRO Cc1nc(C(=O)NC[C@H](C)[NH+](C)C)ccc1C#N ZINC000298368785 388607468 /nfs/dbraw/zinc/60/74/68/388607468.db2.gz TWEGLKHXEGPZPL-VIFPVBQESA-N 1 0 246.314 0.942 20 30 BCEDRO CN(CCC[NH+](C)C)c1ccc(C#N)nn1 ZINC000302046657 388618137 /nfs/dbraw/zinc/61/81/37/388618137.db2.gz YIJNBAUZAKVWGI-UHFFFAOYSA-N 1 0 219.292 0.736 20 30 BCEDRO C#CC[NH2+][C@H](Cc1ccc(Cl)cc1)C(N)=O ZINC000185873497 256859080 /nfs/dbraw/zinc/85/90/80/256859080.db2.gz FBZYFJVYLAIEFO-LLVKDONJSA-N 1 0 236.702 0.959 20 30 BCEDRO C[C@]1(CO)C[N@@H+](CCCCC#N)C[C@@]1(C)CO ZINC000528746946 388564769 /nfs/dbraw/zinc/56/47/69/388564769.db2.gz FEROTSAVYYYCTL-BETUJISGSA-N 1 0 240.347 0.993 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CC[C@](F)(C#N)C1 ZINC000615824711 388585645 /nfs/dbraw/zinc/58/56/45/388585645.db2.gz CFVAKLLBEUMVJU-NSHDSACASA-N 1 0 227.283 0.792 20 30 BCEDRO COc1cc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1C#N ZINC000415063140 388667609 /nfs/dbraw/zinc/66/76/09/388667609.db2.gz OARCNXNBDLEUIB-IMRBUKKESA-N 1 0 243.310 0.874 20 30 BCEDRO Cc1nsc(NC(=O)N[C@@H](C)C[NH3+])c1C#N ZINC000415724160 388668977 /nfs/dbraw/zinc/66/89/77/388668977.db2.gz NFHUVCHGKBCMLD-YFKPBYRVSA-N 1 0 239.304 0.792 20 30 BCEDRO C[C@@H](NC(=O)NCC[NH3+])c1ccc(C#N)cc1 ZINC000417110450 388673207 /nfs/dbraw/zinc/67/32/07/388673207.db2.gz KPDHWIAIIRNLKN-SECBINFHSA-N 1 0 232.287 0.877 20 30 BCEDRO C#CCN(C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000192218870 388676777 /nfs/dbraw/zinc/67/67/77/388676777.db2.gz GZNOXCNNUSWWPT-LBPRGKRZSA-N 1 0 219.288 0.360 20 30 BCEDRO C[N@H+](Cc1cccc(C#N)c1)[C@H]1COC[C@@H]1O ZINC000302354221 388620116 /nfs/dbraw/zinc/62/01/16/388620116.db2.gz JCFYMMLQDBGEAW-STQMWFEESA-N 1 0 232.283 0.750 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000646845294 388624067 /nfs/dbraw/zinc/62/40/67/388624067.db2.gz BWSJOECCAKSYSF-RYUDHWBXSA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCCOCC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000646847622 388624376 /nfs/dbraw/zinc/62/43/76/388624376.db2.gz BRFPNRQJSCNHGY-MNOVXSKESA-N 1 0 242.319 0.154 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@H](O)[C@@H]2CCOC2)cc1C#N ZINC000359714053 388631054 /nfs/dbraw/zinc/63/10/54/388631054.db2.gz CPTGTPLRURNNED-DGCLKSJQSA-N 1 0 249.314 0.384 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1cnccc1C#N ZINC000091672426 388642280 /nfs/dbraw/zinc/64/22/80/388642280.db2.gz JEYBRLCLSRLSIC-LBPRGKRZSA-N 1 0 234.303 0.678 20 30 BCEDRO C#CC[NH2+][C@]1(CO)C[C@@H](OCC)C1(C)C ZINC000190013219 388645968 /nfs/dbraw/zinc/64/59/68/388645968.db2.gz PBEMQSHGTURXPF-PWSUYJOCSA-N 1 0 211.305 0.775 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CCC[C@](O)(CO)C2)c1 ZINC000313679164 388685555 /nfs/dbraw/zinc/68/55/55/388685555.db2.gz LWWQKOMLBIHIEK-CQSZACIVSA-N 1 0 246.310 0.877 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)CC#N)CC1 ZINC000194630132 388737171 /nfs/dbraw/zinc/73/71/71/388737171.db2.gz GYLFFSFZTDHEKI-LLVKDONJSA-N 1 0 233.315 0.750 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1ccc(C#N)nc1 ZINC000115315460 388693730 /nfs/dbraw/zinc/69/37/30/388693730.db2.gz DUEWLAQLLZJPFB-UHFFFAOYSA-N 1 0 232.287 0.635 20 30 BCEDRO C[NH+]1CCC(NC(=O)c2ccc(C#N)nc2)CC1 ZINC000115708025 388698045 /nfs/dbraw/zinc/69/80/45/388698045.db2.gz DBRFFMTWPYOLDE-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3cnc(C#N)cn3)C[C@@H]21 ZINC000372189234 388701997 /nfs/dbraw/zinc/70/19/97/388701997.db2.gz WSBJPGCYIJHCDK-JQWIXIFHSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3cnc(C#N)cn3)C[C@@H]21 ZINC000372189235 388702303 /nfs/dbraw/zinc/70/23/03/388702303.db2.gz WSBJPGCYIJHCDK-PWSUYJOCSA-N 1 0 243.314 0.879 20 30 BCEDRO COCCC[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000127305567 388720584 /nfs/dbraw/zinc/72/05/84/388720584.db2.gz NVBBAHXQTWQWLB-LLVKDONJSA-N 1 0 241.335 0.715 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(C#N)cn1C ZINC000330676896 388759802 /nfs/dbraw/zinc/75/98/02/388759802.db2.gz KTZDKBIHIVRBTH-VIFPVBQESA-N 1 0 234.303 0.577 20 30 BCEDRO CNC(=O)[C@]1(C)CC[N@H+](CCCC#N)C1 ZINC000228070755 388767914 /nfs/dbraw/zinc/76/79/14/388767914.db2.gz FHTXNJJSSRUGHE-LLVKDONJSA-N 1 0 209.293 0.748 20 30 BCEDRO C#CCCC[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000228071655 388769197 /nfs/dbraw/zinc/76/91/97/388769197.db2.gz LQXPJUWVNLGSRP-LBPRGKRZSA-N 1 0 208.305 0.858 20 30 BCEDRO C[N@H+](CCCO)C[C@@H](O)c1ccc(C#N)cc1 ZINC000282024546 388812692 /nfs/dbraw/zinc/81/26/92/388812692.db2.gz YUILUODBHBWRDS-CYBMUJFWSA-N 1 0 234.299 0.906 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCC2CC2)CC1 ZINC000128653269 388778930 /nfs/dbraw/zinc/77/89/30/388778930.db2.gz JAEXRPKSNUENNJ-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000231040476 388834554 /nfs/dbraw/zinc/83/45/54/388834554.db2.gz PLPZEGGQPGGCFN-QWRGUYRKSA-N 1 0 226.320 0.121 20 30 BCEDRO CCOCC[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000564864491 388895751 /nfs/dbraw/zinc/89/57/51/388895751.db2.gz OSSGYAUEDAFEJI-JTQLQIEISA-N 1 0 212.293 0.667 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000649185256 388898498 /nfs/dbraw/zinc/89/84/98/388898498.db2.gz AHIQXQFZMWDUSX-NEPJUHHUSA-N 1 0 240.347 0.463 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000649185257 388899125 /nfs/dbraw/zinc/89/91/25/388899125.db2.gz AHIQXQFZMWDUSX-RYUDHWBXSA-N 1 0 240.347 0.463 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)C[NH+](CC)CC ZINC000649187514 388899314 /nfs/dbraw/zinc/89/93/14/388899314.db2.gz RJNIHPVMQFIVSQ-LLVKDONJSA-N 1 0 226.320 0.219 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000565050003 388911003 /nfs/dbraw/zinc/91/10/03/388911003.db2.gz VNNMTGFULIFUPP-MWLCHTKSSA-N 1 0 209.293 0.876 20 30 BCEDRO C#CC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153288191 388959624 /nfs/dbraw/zinc/95/96/24/388959624.db2.gz FLHICHLKIOBLDT-UHFFFAOYSA-N 1 0 217.276 0.361 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)CO[C@H](C)COC ZINC000565489040 388948430 /nfs/dbraw/zinc/94/84/30/388948430.db2.gz KGVKEURMRTVGIV-UTUOFQBUSA-N 1 0 244.335 0.681 20 30 BCEDRO N#CCCCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000566107240 388988525 /nfs/dbraw/zinc/98/85/25/388988525.db2.gz HDKNGHRMOUGVPX-LLVKDONJSA-N 1 0 222.292 0.527 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cccnc1 ZINC000272808233 389035589 /nfs/dbraw/zinc/03/55/89/389035589.db2.gz GHFKPCDBXLTOJX-UHFFFAOYSA-N 1 0 240.328 0.772 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000274136943 389045100 /nfs/dbraw/zinc/04/51/00/389045100.db2.gz WTNBYJZJWDQSDG-IUCAKERBSA-N 1 0 220.276 0.198 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000335294317 136005338 /nfs/dbraw/zinc/00/53/38/136005338.db2.gz FPWFPNTXVIVYOG-ZJUUUORDSA-N 1 0 209.293 0.449 20 30 BCEDRO C#C[C@@H](C)NC(=O)c1c[nH+]ccc1N(C)C ZINC000185355256 533232860 /nfs/dbraw/zinc/23/28/60/533232860.db2.gz FDRZQCLQOVITEF-SECBINFHSA-N 1 0 217.272 0.899 20 30 BCEDRO C#C[C@H](NC(=[NH2+])NC[C@@H]1CCCO1)C(C)C ZINC000262122981 533277781 /nfs/dbraw/zinc/27/77/81/533277781.db2.gz JUNSPHPTVSNCOC-QWRGUYRKSA-N 1 0 223.320 0.728 20 30 BCEDRO C#C[C@@H]([NH2+][C@H](C)COCC(=O)OC)C(C)C ZINC000296988971 533269585 /nfs/dbraw/zinc/26/95/85/533269585.db2.gz VSCFWJOUNMBJMX-GHMZBOCLSA-N 1 0 227.304 0.812 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000372184115 533292823 /nfs/dbraw/zinc/29/28/23/533292823.db2.gz GMGGTOQGVFTZOI-QJPTWQEYSA-N 1 0 235.331 0.934 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000357158984 533526346 /nfs/dbraw/zinc/52/63/46/533526346.db2.gz JEKCSQAWWCKULG-JTQLQIEISA-N 1 0 234.365 0.822 20 30 BCEDRO C[NH+]=C(NCCN1CCC1)N1CCCC1 ZINC000261908762 533478725 /nfs/dbraw/zinc/47/87/25/533478725.db2.gz XTWUAWVJDPYSBO-UHFFFAOYSA-N 1 0 210.325 0.363 20 30 BCEDRO C=C(C)C[N@@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC000181245235 533495152 /nfs/dbraw/zinc/49/51/52/533495152.db2.gz QWNGHPPIPVKPIN-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C[C@@H](O)C[NH+]1CCN(c2cccc(C#N)n2)CC1 ZINC000275806187 132205097 /nfs/dbraw/zinc/20/50/97/132205097.db2.gz KXPPDUDJUVLQME-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1c1ccc(C#N)cn1 ZINC000054375185 132233882 /nfs/dbraw/zinc/23/38/82/132233882.db2.gz DJQVBUWSMYBYLX-SECBINFHSA-N 1 0 202.261 0.751 20 30 BCEDRO Cc1cc(N2CC[NH+](CCO)CC2)cc(C#N)n1 ZINC000308275206 132294134 /nfs/dbraw/zinc/29/41/34/132294134.db2.gz DOTAUPZLOXNXRZ-UHFFFAOYSA-N 1 0 246.314 0.376 20 30 BCEDRO CCNC(=O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309066461 133454236 /nfs/dbraw/zinc/45/42/36/133454236.db2.gz ZSDAMIXETNMPIE-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO C[NH+](C)C1(CNC(=O)CC#N)CCCC1 ZINC000160867179 133510596 /nfs/dbraw/zinc/51/05/96/133510596.db2.gz PFIHSQAYGCFXBB-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(N2CCOC2=O)cc1 ZINC000272804046 133543769 /nfs/dbraw/zinc/54/37/69/133543769.db2.gz GSCVLVMMRLSWNG-UHFFFAOYSA-N 1 0 248.286 0.677 20 30 BCEDRO CCCNC(=[NH2+])NCc1cnccc1OC ZINC000292343726 133575189 /nfs/dbraw/zinc/57/51/89/133575189.db2.gz PBIZKDYFWYCREC-UHFFFAOYSA-N 1 0 222.292 0.905 20 30 BCEDRO C#CCNC(=[NH+]C)N(C)Cc1cccn1C ZINC000160861444 133645024 /nfs/dbraw/zinc/64/50/24/133645024.db2.gz ZXGKOSWNSLKMFQ-UHFFFAOYSA-N 1 0 218.304 0.666 20 30 BCEDRO C=CCNC(=O)[C@@]1([NH3+])C[C@@H](OCC)C1(C)C ZINC000162521890 133653951 /nfs/dbraw/zinc/65/39/51/133653951.db2.gz VVRRKZVHLNNRQI-SKDRFNHKSA-N 1 0 226.320 0.821 20 30 BCEDRO CC[C@H](C(=O)N[C@@H](C#N)C1CC1)[NH+](C)C ZINC000331755641 134001772 /nfs/dbraw/zinc/00/17/72/134001772.db2.gz LZGVKBZGGSIHFL-VHSXEESVSA-N 1 0 209.293 0.745 20 30 BCEDRO N#CC1(C[N@@H+](CCO)C2CCOCC2)CC1 ZINC000331958982 134002969 /nfs/dbraw/zinc/00/29/69/134002969.db2.gz LCOZOEMRACJMAN-UHFFFAOYSA-N 1 0 224.304 0.763 20 30 BCEDRO CC[C@@H]1CN(CCC#N)CC[N@@H+]1C[C@H](C)O ZINC000330363448 134014349 /nfs/dbraw/zinc/01/43/49/134014349.db2.gz FCQQQAJDVHYQST-NWDGAFQWSA-N 1 0 225.336 0.677 20 30 BCEDRO N#CCCN1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000335959404 134024175 /nfs/dbraw/zinc/02/41/75/134024175.db2.gz WTOHXEPYGHSZMZ-LLVKDONJSA-N 1 0 221.304 0.844 20 30 BCEDRO C=CCCS(=O)(=O)N1CCN2CCC1CC2 ZINC000336044717 134063211 /nfs/dbraw/zinc/06/32/11/134063211.db2.gz HLBBGLCJCDQEAX-UHFFFAOYSA-N 1 0 244.360 0.672 20 30 BCEDRO C=CCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000330435685 134081715 /nfs/dbraw/zinc/08/17/15/134081715.db2.gz LZRXVEVQNMZOPB-VIFPVBQESA-N 1 0 218.322 0.315 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC#CCO ZINC000352188236 134100235 /nfs/dbraw/zinc/10/02/35/134100235.db2.gz XLKBWDRVVOQTHL-LBPRGKRZSA-N 1 0 238.331 0.363 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C2CC(OC)C2)C1=O ZINC000352200981 134100607 /nfs/dbraw/zinc/10/06/07/134100607.db2.gz COPJQCYEJMPAAG-HTAVTVPLSA-N 1 0 238.331 0.883 20 30 BCEDRO CN(C(=O)CC#N)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000336539263 134149366 /nfs/dbraw/zinc/14/93/66/134149366.db2.gz SNNNRZWZVMNHBO-JTQLQIEISA-N 1 0 207.277 0.595 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N2CC(C)(C#N)C2)C1 ZINC000336602670 134151054 /nfs/dbraw/zinc/15/10/54/134151054.db2.gz VVKYPLXQUBYJQE-SECBINFHSA-N 1 0 207.277 0.310 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@](C)(CO)C(C)C)C1=O ZINC000352890354 134157526 /nfs/dbraw/zinc/15/75/26/134157526.db2.gz CPYLGFGKTBIRPR-YPMHNXCESA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000305096274 134160014 /nfs/dbraw/zinc/16/00/14/134160014.db2.gz SWNFNGJTIRZOBJ-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000111259472 134160627 /nfs/dbraw/zinc/16/06/27/134160627.db2.gz TWIPVLRIWKVTLD-UHFFFAOYSA-N 1 0 237.303 0.436 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)C[C@H]1CCCC[C@H]1O ZINC000305838289 134160714 /nfs/dbraw/zinc/16/07/14/134160714.db2.gz XYQDCLPFPKDFEW-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H](CC)Cn1cncn1 ZINC000353354980 134163442 /nfs/dbraw/zinc/16/34/42/134163442.db2.gz RPJKOGSBWIQJJR-VXGBXAGGSA-N 1 0 238.335 0.831 20 30 BCEDRO COCCN(CC[NH+](C)C)C(=O)[C@@H](C)C#N ZINC000353777657 134164934 /nfs/dbraw/zinc/16/49/34/134164934.db2.gz LNMOLSNTTCBYAC-JTQLQIEISA-N 1 0 227.308 0.183 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N(C)CC[NH+]1CCCC1 ZINC000354294932 134167488 /nfs/dbraw/zinc/16/74/88/134167488.db2.gz GKQUTYAXWJUYIT-ZDUSSCGKSA-N 1 0 240.347 0.868 20 30 BCEDRO C[N@H+](CCNS(=O)(=O)CCCC#N)C1CC1 ZINC000354458329 134168543 /nfs/dbraw/zinc/16/85/43/134168543.db2.gz JAAVDWXQHIPZLH-UHFFFAOYSA-N 1 0 245.348 0.304 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000354954328 134170932 /nfs/dbraw/zinc/17/09/32/134170932.db2.gz NQIMECSDWWMYKO-LLVKDONJSA-N 1 0 226.320 0.599 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C12CCC[NH+]1CCC2 ZINC000356360769 134177838 /nfs/dbraw/zinc/17/78/38/134177838.db2.gz JTNSRXKUSXCPTH-NSHDSACASA-N 1 0 238.331 0.668 20 30 BCEDRO C=CCNC(=O)CN1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000356976832 134181686 /nfs/dbraw/zinc/18/16/86/134181686.db2.gz BUCDOPYHUVPVIO-WDEREUQCSA-N 1 0 225.336 0.313 20 30 BCEDRO CCCN(CC#N)C(=O)[C@H]1CCC[N@@H+]1C ZINC000356998886 134181800 /nfs/dbraw/zinc/18/18/00/134181800.db2.gz UJXNMJGLJRTEHL-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000357313411 134182491 /nfs/dbraw/zinc/18/24/91/134182491.db2.gz XIWYMYJZWYQELX-CKYFFXLPSA-N 1 0 226.320 0.692 20 30 BCEDRO C=CC[N@@H+](CCCNS(=O)(=O)CC)C1CC1 ZINC000357554710 134184250 /nfs/dbraw/zinc/18/42/50/134184250.db2.gz RXNIVVDDIMZCGE-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000357920934 134186107 /nfs/dbraw/zinc/18/61/07/134186107.db2.gz QPNTVFGUNZUHRK-NSHDSACASA-N 1 0 238.331 0.956 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000360214213 134199295 /nfs/dbraw/zinc/19/92/95/134199295.db2.gz ADMAUGNNDKZIOM-QWRGUYRKSA-N 1 0 246.376 0.965 20 30 BCEDRO C#CC[C@H](C)NC(=O)[C@H]1CN(CC)CCO1 ZINC000360465333 134200835 /nfs/dbraw/zinc/20/08/35/134200835.db2.gz FMPMHFBZSRAQIO-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO N#CCN(CC[N@@H+]1CCCOCC1)C1CC1 ZINC000361298869 134204097 /nfs/dbraw/zinc/20/40/97/134204097.db2.gz ZWDUKNLAIKAKEF-UHFFFAOYSA-N 1 0 223.320 0.697 20 30 BCEDRO CC#CCCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000361353819 134204505 /nfs/dbraw/zinc/20/45/05/134204505.db2.gz VCLWRAKWPNGTCY-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO CCCN(CC#N)CC[N@@H+]1CCCOCC1 ZINC000361317094 134204540 /nfs/dbraw/zinc/20/45/40/134204540.db2.gz XUKIZHYQOOUBCO-UHFFFAOYSA-N 1 0 225.336 0.944 20 30 BCEDRO O=C(NCCCNC1=[NH+]CCCN1)C1CCC1 ZINC000361984850 134208549 /nfs/dbraw/zinc/20/85/49/134208549.db2.gz VZYXPUDESXZFHN-UHFFFAOYSA-N 1 0 238.335 0.232 20 30 BCEDRO C=C[C@@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000362371019 134210213 /nfs/dbraw/zinc/21/02/13/134210213.db2.gz OONQQJPEOGJOGJ-SECBINFHSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCO[C@H](C2CC2)C1 ZINC000362560250 134211874 /nfs/dbraw/zinc/21/18/74/134211874.db2.gz NBPNJOBBKJAUKC-PWSUYJOCSA-N 1 0 238.331 0.788 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N(CC#N)C1CC1 ZINC000362617111 134213177 /nfs/dbraw/zinc/21/31/77/134213177.db2.gz LZAXCYOAGKNNLF-GXSJLCMTSA-N 1 0 221.304 0.699 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N(CC#N)C1CC1 ZINC000362617113 134213278 /nfs/dbraw/zinc/21/32/78/134213278.db2.gz LZAXCYOAGKNNLF-KOLCDFICSA-N 1 0 221.304 0.699 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000367398020 134214323 /nfs/dbraw/zinc/21/43/23/134214323.db2.gz BQVFJRZGXLLTOC-MJWAUXSNSA-N 1 0 225.292 0.315 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCCC#N ZINC000362755216 134214334 /nfs/dbraw/zinc/21/43/34/134214334.db2.gz GAZPWFONLINKHR-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO C=C(C)COCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362912586 134214829 /nfs/dbraw/zinc/21/48/29/134214829.db2.gz HCSKCFPTDMSBIM-RYUDHWBXSA-N 1 0 240.347 0.893 20 30 BCEDRO C#CCNC(=O)C1([NH+](C)C)Cc2ccccc2C1 ZINC000362933570 134214888 /nfs/dbraw/zinc/21/48/88/134214888.db2.gz OQQFYNWMFSMBSZ-UHFFFAOYSA-N 1 0 242.322 0.835 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000367501792 134215612 /nfs/dbraw/zinc/21/56/12/134215612.db2.gz BNNKLGAYDNKLLS-JTQLQIEISA-N 1 0 230.333 0.023 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367995046 134216735 /nfs/dbraw/zinc/21/67/35/134216735.db2.gz XNRYBWAUTRXDDC-QWRGUYRKSA-N 1 0 226.320 0.511 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000368150418 134217637 /nfs/dbraw/zinc/21/76/37/134217637.db2.gz LJGRSBGTQFGVNL-LBPRGKRZSA-N 1 0 235.331 0.889 20 30 BCEDRO CC#CCC[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368975508 134220854 /nfs/dbraw/zinc/22/08/54/134220854.db2.gz VZFVUWYRYSCXSK-QJPTWQEYSA-N 1 0 220.316 0.986 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368976528 134221116 /nfs/dbraw/zinc/22/11/16/134221116.db2.gz WXUZDFJATLJLCZ-DCAQKATOSA-N 1 0 206.289 0.596 20 30 BCEDRO C=C(C)C[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000369288339 134222498 /nfs/dbraw/zinc/22/24/98/134222498.db2.gz PRGUTNVHWDYOKB-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C#CC[C@@H](C)NC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000369819709 134223448 /nfs/dbraw/zinc/22/34/48/134223448.db2.gz PUQUOIXZRGYKJM-VXGBXAGGSA-N 1 0 235.331 0.888 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1[C@H]2COC[C@H]21 ZINC000370739755 134226727 /nfs/dbraw/zinc/22/67/27/134226727.db2.gz PGJUOUSAZQQLIH-OWUUHHOZSA-N 1 0 209.293 0.569 20 30 BCEDRO C[NH+](C)[C@@H]1CC[C@H]2[C@H](C1)OCCN2CC#N ZINC000371292890 134228374 /nfs/dbraw/zinc/22/83/74/134228374.db2.gz DUDCSXUEBGPSNL-WOPDTQHZSA-N 1 0 223.320 0.693 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371266232 134228379 /nfs/dbraw/zinc/22/83/79/134228379.db2.gz KKKIGNPCRJXIGI-RYUDHWBXSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371458906 134228817 /nfs/dbraw/zinc/22/88/17/134228817.db2.gz MSUNNIAHMVWDHZ-QWHCGFSZSA-N 1 0 233.315 0.941 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000300423200 134229005 /nfs/dbraw/zinc/22/90/05/134229005.db2.gz OMYISRQLFUUWEV-WCQGTBRESA-N 1 0 236.315 0.281 20 30 BCEDRO C[C@@H](CC#N)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000371980623 134230100 /nfs/dbraw/zinc/23/01/00/134230100.db2.gz RIFHCTLJUMANTK-ONGXEEELSA-N 1 0 221.304 0.747 20 30 BCEDRO C=C(C)COCC[NH2+]C1CCS(=O)(=O)CC1 ZINC000168602668 134231213 /nfs/dbraw/zinc/23/12/13/134231213.db2.gz INJKFJLVRDKUKI-UHFFFAOYSA-N 1 0 247.360 0.746 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372299790 134231243 /nfs/dbraw/zinc/23/12/43/134231243.db2.gz CSGCUPJBQSEGMH-WDEREUQCSA-N 1 0 211.305 0.770 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000372991498 134233229 /nfs/dbraw/zinc/23/32/29/134233229.db2.gz UGAXOIAJVCHQCT-GFCCVEGCSA-N 1 0 239.363 0.705 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373066772 134233733 /nfs/dbraw/zinc/23/37/33/134233733.db2.gz VNRSCXQZKRGJNU-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO CC#CCNC(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000374048741 134235560 /nfs/dbraw/zinc/23/55/60/134235560.db2.gz FMFBVESFMDQZQW-NSHDSACASA-N 1 0 224.304 0.235 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@H](CO)C1 ZINC000304385282 134237640 /nfs/dbraw/zinc/23/76/40/134237640.db2.gz KNGRNTIZHJIIHW-JTQLQIEISA-N 1 0 214.334 0.947 20 30 BCEDRO CNC(=[NH2+])NC[C@@H]1CC(=O)Nc2ccccc21 ZINC000304809034 134238916 /nfs/dbraw/zinc/23/89/16/134238916.db2.gz VEBMSAMXKSVYJQ-QMMMGPOBSA-N 1 0 232.287 0.647 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)CC1 ZINC000305107835 134240060 /nfs/dbraw/zinc/24/00/60/134240060.db2.gz ZTWQGUWPZONHFW-SNVBAGLBSA-N 1 0 212.293 0.135 20 30 BCEDRO NC(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000305346507 134241276 /nfs/dbraw/zinc/24/12/76/134241276.db2.gz QCCNHLQURQNCRS-IWSPIJDZSA-N 1 0 209.293 0.608 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@H](C)CO ZINC000305431475 134241458 /nfs/dbraw/zinc/24/14/58/134241458.db2.gz FDNRNIYWUAHMQV-WDEREUQCSA-N 1 0 241.335 0.307 20 30 BCEDRO CO/N=C/C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000377851377 134244975 /nfs/dbraw/zinc/24/49/75/134244975.db2.gz KDKGLKPYMLVGPH-UKTHLTGXSA-N 1 0 239.319 0.752 20 30 BCEDRO C=C(C)COCCNC(=O)[C@H]([NH3+])C(C)C ZINC000168718759 134246516 /nfs/dbraw/zinc/24/65/16/134246516.db2.gz DQLYVEXCNKTYKD-SNVBAGLBSA-N 1 0 214.309 0.679 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000170767234 134252932 /nfs/dbraw/zinc/25/29/32/134252932.db2.gz XKDVSEWMGPJAGU-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO CC(C)NC(=O)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000170908417 134254715 /nfs/dbraw/zinc/25/47/15/134254715.db2.gz XYBFKSWKHIBMIX-SNVBAGLBSA-N 1 0 240.351 0.558 20 30 BCEDRO CC(C)NC(=O)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000170908420 134254889 /nfs/dbraw/zinc/25/48/89/134254889.db2.gz XYBFKSWKHIBMIX-JTQLQIEISA-N 1 0 240.351 0.558 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H]1CCCO1 ZINC000183983308 134355640 /nfs/dbraw/zinc/35/56/40/134355640.db2.gz QKEPUIFLONXULE-UWVGGRQHSA-N 1 0 212.293 0.446 20 30 BCEDRO C[NH+](C)CC(=O)N1CCC(C)(C#N)CC1 ZINC000227519655 134382910 /nfs/dbraw/zinc/38/29/10/134382910.db2.gz PGMZKGAHXFBBMI-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC000227633583 134389204 /nfs/dbraw/zinc/38/92/04/134389204.db2.gz UDERGALEDBDLAI-UWVGGRQHSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000227652271 134389634 /nfs/dbraw/zinc/38/96/34/134389634.db2.gz GFFCBHGNIYOYKU-VHSXEESVSA-N 1 0 245.348 0.254 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000305078915 134391922 /nfs/dbraw/zinc/39/19/22/134391922.db2.gz LXCUQBLXNYDLCO-VXGBXAGGSA-N 1 0 240.347 0.770 20 30 BCEDRO C[C@H](CNC(=O)[C@@H](C)C#N)[N@H+](C)C1CC1 ZINC000227770701 134393640 /nfs/dbraw/zinc/39/36/40/134393640.db2.gz COXLYURUYGIVTD-DTWKUNHWSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000227770707 134393662 /nfs/dbraw/zinc/39/36/62/134393662.db2.gz COXLYURUYGIVTD-RKDXNWHRSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@@H](O)C[N@@H+]1CCN(CC2(C#N)CC2)C[C@H]1C ZINC000408110537 134394858 /nfs/dbraw/zinc/39/48/58/134394858.db2.gz RFIYBPCFXYOGMK-VXGBXAGGSA-N 1 0 237.347 0.677 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CC(=O)N(C)C ZINC000309391561 134398675 /nfs/dbraw/zinc/39/86/75/134398675.db2.gz ULPKPIQURZDYET-MNOVXSKESA-N 1 0 228.336 0.627 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000377273604 134522089 /nfs/dbraw/zinc/52/20/89/134522089.db2.gz PLBQHVRBGZDTRF-CMPLNLGQSA-N 1 0 224.304 0.446 20 30 BCEDRO CNC(=[NH2+])NCC[S@@](=O)Cc1ccccc1 ZINC000117106128 134523963 /nfs/dbraw/zinc/52/39/63/134523963.db2.gz USGUCBYEOKYMFA-INIZCTEOSA-N 1 0 239.344 0.469 20 30 BCEDRO C[C@@H]1NC(=O)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000332011690 134603309 /nfs/dbraw/zinc/60/33/09/134603309.db2.gz TXSYGUNZFNKQEL-IUCAKERBSA-N 1 0 207.277 0.547 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000336726868 134604678 /nfs/dbraw/zinc/60/46/78/134604678.db2.gz BTGCALGYWKJOLC-JTQLQIEISA-N 1 0 246.376 0.822 20 30 BCEDRO COCCN(C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336781659 134604870 /nfs/dbraw/zinc/60/48/70/134604870.db2.gz VFUAMUMMVBAPLU-RYUDHWBXSA-N 1 0 225.336 0.846 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccnc(OC)c1 ZINC000161488978 134835969 /nfs/dbraw/zinc/83/59/69/134835969.db2.gz ATZHISNYPDRBLE-UHFFFAOYSA-N 1 0 238.291 0.141 20 30 BCEDRO [NH2+]=C(NCCc1nccs1)N1CCOCC1 ZINC000170909222 134878833 /nfs/dbraw/zinc/87/88/33/134878833.db2.gz XTAGHPBPRSRSDC-UHFFFAOYSA-N 1 0 240.332 0.333 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCCOC1 ZINC000170908706 134879149 /nfs/dbraw/zinc/87/91/49/134879149.db2.gz ZDCVACDLLPFYJK-SNVBAGLBSA-N 1 0 211.309 0.893 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)C(F)F)C1 ZINC000336660254 134890966 /nfs/dbraw/zinc/89/09/66/134890966.db2.gz RMBYETAIVIEPBH-BWZBUEFSSA-N 1 0 204.220 0.894 20 30 BCEDRO CCCOc1ccc(CNC(N)=[NH2+])cn1 ZINC000107884716 134918196 /nfs/dbraw/zinc/91/81/96/134918196.db2.gz SJYKQHPURXVZCC-UHFFFAOYSA-N 1 0 208.265 0.644 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H]1CN(CC)C[C@H]1C ZINC000336758398 134976201 /nfs/dbraw/zinc/97/62/01/134976201.db2.gz JTVGCCQOHBQTHD-IJLUTSLNSA-N 1 0 212.337 0.853 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](OC)C2)C1=O ZINC000337136966 135001132 /nfs/dbraw/zinc/00/11/32/135001132.db2.gz NPSNZWZXNOTUEG-NEPJUHHUSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@H](O)C2)C1=O ZINC000337177531 135002616 /nfs/dbraw/zinc/00/26/16/135002616.db2.gz JRQNRDRNASZXJT-OUAUKWLOSA-N 1 0 224.304 0.086 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@H](CC)C2)C1=O ZINC000337174958 135002736 /nfs/dbraw/zinc/00/27/36/135002736.db2.gz HMUVKFROEGJQMQ-WOPDTQHZSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)CCC[C@@H](C)O)C1=O ZINC000337201183 135005627 /nfs/dbraw/zinc/00/56/27/135005627.db2.gz CQSQJWRNHBIWCN-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCN1CC[C@H]([NH2+]CCn2cccn2)C1=O ZINC000337186006 135005680 /nfs/dbraw/zinc/00/56/80/135005680.db2.gz OQGJYJRFGLRMGX-NSHDSACASA-N 1 0 234.303 0.260 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC[C@H](CO)[C@@H]2C)C1=O ZINC000337207961 135006705 /nfs/dbraw/zinc/00/67/05/135006705.db2.gz PPWNZIYXWHLWAH-TUAOUCFPSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H](C)[C@H]2CCOC2)C1=O ZINC000337210237 135007219 /nfs/dbraw/zinc/00/72/19/135007219.db2.gz TUNGRGLSDUMPLM-WOPDTQHZSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCOCCC[N@@H+]1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000337246938 135008161 /nfs/dbraw/zinc/00/81/61/135008161.db2.gz JQISYWDIOKHPPT-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CCCOC2)C1=O ZINC000337236687 135009072 /nfs/dbraw/zinc/00/90/72/135009072.db2.gz YDIBUOPGLCDGMF-NEPJUHHUSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCC[NH+]1CCN(C[C@@H](O)CC)CC1 ZINC000337277584 135010915 /nfs/dbraw/zinc/01/09/15/135010915.db2.gz RURIDBWWBVSFKY-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C[N@H+](CCCSCC#N)CC(N)=O ZINC000308256868 135022214 /nfs/dbraw/zinc/02/22/14/135022214.db2.gz JXSGUFHJMOYZRC-UHFFFAOYSA-N 1 0 201.295 0.050 20 30 BCEDRO N#CCN(CC#N)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000365824479 135024449 /nfs/dbraw/zinc/02/44/49/135024449.db2.gz WLUTVZABSJSWLK-NWDGAFQWSA-N 1 0 246.314 0.737 20 30 BCEDRO C=CCC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000338540817 135039816 /nfs/dbraw/zinc/03/98/16/135039816.db2.gz CQBPGKKEEPHQOJ-JTQLQIEISA-N 1 0 232.349 0.563 20 30 BCEDRO N#CCCOCC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000338963791 135049889 /nfs/dbraw/zinc/04/98/89/135049889.db2.gz YIFHUVSKVSDJDY-LLVKDONJSA-N 1 0 239.319 0.647 20 30 BCEDRO C=CCOCC[N@@H+](C)CC(C)(CO)CO ZINC000339023441 135052890 /nfs/dbraw/zinc/05/28/90/135052890.db2.gz KBYNMONXTJXOQP-UHFFFAOYSA-N 1 0 217.309 0.112 20 30 BCEDRO CN(C)C(=O)NCC[N@H+](C)CCOCCC#N ZINC000339061684 135055940 /nfs/dbraw/zinc/05/59/40/135055940.db2.gz OTLLDGLAZGJTQG-UHFFFAOYSA-N 1 0 242.323 0.120 20 30 BCEDRO CC[N@H+](CCOCCC#N)[C@@H](C)CO ZINC000339211376 135066178 /nfs/dbraw/zinc/06/61/78/135066178.db2.gz UIIFLJSKFQFVDV-JTQLQIEISA-N 1 0 200.282 0.619 20 30 BCEDRO C=CCOCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000339196355 135066637 /nfs/dbraw/zinc/06/66/37/135066637.db2.gz AJIKKUUPJKCUIE-QWRGUYRKSA-N 1 0 215.293 0.007 20 30 BCEDRO C[C@@H]1C[C@@H](O)CC[N@@H+]1CCOCCC#N ZINC000339213090 135067631 /nfs/dbraw/zinc/06/76/31/135067631.db2.gz PIQOUBUTCJBDRD-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO C[C@H]1C[C@H](O)CC[N@@H+]1CCOCCC#N ZINC000339213092 135067883 /nfs/dbraw/zinc/06/78/83/135067883.db2.gz PIQOUBUTCJBDRD-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO C=CC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000339407065 135072327 /nfs/dbraw/zinc/07/23/27/135072327.db2.gz KOEKAZWHYLMOIS-NSHDSACASA-N 1 0 222.292 0.593 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000366424042 135075456 /nfs/dbraw/zinc/07/54/56/135075456.db2.gz XMIKFDVPBMEZQA-NSHDSACASA-N 1 0 229.345 0.766 20 30 BCEDRO CC#CCN(C)CC[N@@H+]1CCCOCC1 ZINC000339766067 135081493 /nfs/dbraw/zinc/08/14/93/135081493.db2.gz NGSYRZCQCDTMBU-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000252571565 135092351 /nfs/dbraw/zinc/09/23/51/135092351.db2.gz BLNNBIBUHFCIJW-VHSXEESVSA-N 1 0 245.348 0.254 20 30 BCEDRO [NH2+]=C(NC[C@H](O)c1ccc(F)cc1)NC1CC1 ZINC000261703793 135111431 /nfs/dbraw/zinc/11/14/31/135111431.db2.gz CVSHVJASYGTIJV-NSHDSACASA-N 1 0 237.278 0.926 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(CO)c(F)c1 ZINC000261769957 135111527 /nfs/dbraw/zinc/11/15/27/135111527.db2.gz NYSMFBRMJMZGCB-UHFFFAOYSA-N 1 0 237.278 0.908 20 30 BCEDRO CNC(NCc1nc2ccccc2n1C)=[NH+]C ZINC000261894718 135111848 /nfs/dbraw/zinc/11/18/48/135111848.db2.gz UPVNKNOXTNWOOW-UHFFFAOYSA-N 1 0 231.303 0.868 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cccnc1OC ZINC000261888378 135111896 /nfs/dbraw/zinc/11/18/96/135111896.db2.gz SJYBDVAKNHDUPA-UHFFFAOYSA-N 1 0 220.276 0.681 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cnn(C)c1C ZINC000261819052 135112126 /nfs/dbraw/zinc/11/21/26/135112126.db2.gz NYANYRBDTAKFBF-UHFFFAOYSA-N 1 0 207.281 0.319 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(C)nc1 ZINC000261867967 135112378 /nfs/dbraw/zinc/11/23/78/135112378.db2.gz OHRYIANUIUQSKM-UHFFFAOYSA-N 1 0 204.277 0.980 20 30 BCEDRO C=CCNC(=[NH+]CC)N1CCO[C@@H](COC)C1 ZINC000261968489 135113218 /nfs/dbraw/zinc/11/32/18/135113218.db2.gz QCPDLCVLKKAVAL-LLVKDONJSA-N 1 0 241.335 0.485 20 30 BCEDRO CNC(=[NH2+])N[C@H]1CCN(c2ccccc2OC)C1 ZINC000261989535 135113533 /nfs/dbraw/zinc/11/35/33/135113533.db2.gz QYFROMGTPLJNOZ-JTQLQIEISA-N 1 0 248.330 0.808 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1nncn1CC ZINC000262012598 135114247 /nfs/dbraw/zinc/11/42/47/135114247.db2.gz WYCQEWVBQJWYKR-QMMMGPOBSA-N 1 0 224.312 0.501 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cn2c(n1)CCCC2 ZINC000262068649 135114357 /nfs/dbraw/zinc/11/43/57/135114357.db2.gz BRQDSVJYHMSPBO-UHFFFAOYSA-N 1 0 233.319 0.810 20 30 BCEDRO CNC(=[NH2+])N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262015728 135114422 /nfs/dbraw/zinc/11/44/22/135114422.db2.gz XQCKTJZDBCGNEZ-VHSXEESVSA-N 1 0 221.308 0.711 20 30 BCEDRO CN(CCNC(=[NH2+])Nc1ccccn1)C1CC1 ZINC000262013540 135114487 /nfs/dbraw/zinc/11/44/87/135114487.db2.gz VAHUMERAVFFXBO-UHFFFAOYSA-N 1 0 233.319 0.902 20 30 BCEDRO C[NH+]=C(NCC(=O)Nc1ccccc1)NC1CC1 ZINC000262146918 135116200 /nfs/dbraw/zinc/11/62/00/135116200.db2.gz QMUKDCQBQXYDOS-UHFFFAOYSA-N 1 0 246.314 0.953 20 30 BCEDRO COCc1nc(CNC(=[NH2+])NC2CC2)cs1 ZINC000262355908 135118229 /nfs/dbraw/zinc/11/82/29/135118229.db2.gz HERWJOKGSIUSGY-UHFFFAOYSA-N 1 0 240.332 0.856 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCn1cc(C)cn1 ZINC000262513801 135118902 /nfs/dbraw/zinc/11/89/02/135118902.db2.gz FJIKTCAOFXPMNC-UHFFFAOYSA-N 1 0 221.308 0.672 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262479842 135119010 /nfs/dbraw/zinc/11/90/10/135119010.db2.gz CUYLGQRBVJNMMZ-MXWKQRLJSA-N 1 0 223.320 0.905 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H](c2ccco2)N(C)C)N1 ZINC000262479854 135119039 /nfs/dbraw/zinc/11/90/39/135119039.db2.gz CVSHZJDEVBYIDZ-NXEZZACHSA-N 1 0 236.319 0.820 20 30 BCEDRO CC(C)OCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262427511 135119058 /nfs/dbraw/zinc/11/90/58/135119058.db2.gz DDOJMDRJAWEBBN-JTQLQIEISA-N 1 0 229.324 0.447 20 30 BCEDRO C=CCNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262528915 135119427 /nfs/dbraw/zinc/11/94/27/135119427.db2.gz MLMWDLBSZNZTAD-AEJSXWLSSA-N 1 0 223.320 0.890 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCNC(=O)c2ccccc2)N1 ZINC000262630895 135119682 /nfs/dbraw/zinc/11/96/82/135119682.db2.gz FSDJYCCPZYFQIH-JTQLQIEISA-N 1 0 246.314 0.354 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCC[C@@H]1O ZINC000262536827 135119756 /nfs/dbraw/zinc/11/97/56/135119756.db2.gz PXYPOSSNBANHMK-ZJUUUORDSA-N 1 0 211.309 0.628 20 30 BCEDRO CN1CC[NH+]=C1NCc1cn2ccccc2n1 ZINC000262662372 135120097 /nfs/dbraw/zinc/12/00/97/135120097.db2.gz NGFUNZPGKLBIFH-UHFFFAOYSA-N 1 0 229.287 0.725 20 30 BCEDRO COc1ccncc1CNC(=[NH2+])NC1CC1 ZINC000262660795 135120161 /nfs/dbraw/zinc/12/01/61/135120161.db2.gz XWERWOAJLUFHSB-UHFFFAOYSA-N 1 0 220.276 0.657 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1noc(C)n1 ZINC000262666464 135120499 /nfs/dbraw/zinc/12/04/99/135120499.db2.gz NMBOWVBSTBEJML-LURJTMIESA-N 1 0 211.269 0.581 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@](C)(O)c2ccco2)N1 ZINC000262664333 135120662 /nfs/dbraw/zinc/12/06/62/135120662.db2.gz NYOPGSMAGBASCC-LDYMZIIASA-N 1 0 223.276 0.424 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H](O)c2ccc(F)cc2)N1 ZINC000262640953 135120675 /nfs/dbraw/zinc/12/06/75/135120675.db2.gz HUDNGMUYQIFPSP-KCJUWKMLSA-N 1 0 237.278 0.796 20 30 BCEDRO CN(C)[C@@H](CNC1=[NH+]CCN1C)c1ccco1 ZINC000262669241 135120739 /nfs/dbraw/zinc/12/07/39/135120739.db2.gz QIIOFCCYPGQDPS-JTQLQIEISA-N 1 0 236.319 0.773 20 30 BCEDRO COc1ccccc1[C@@H](O)CNC1=[NH+]C[C@H](C)N1 ZINC000262669683 135120770 /nfs/dbraw/zinc/12/07/70/135120770.db2.gz QKOKBHCSJKUHJK-ONGXEEELSA-N 1 0 249.314 0.666 20 30 BCEDRO Cc1ccc([C@@H](O)CNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000262683005 135121010 /nfs/dbraw/zinc/12/10/10/135121010.db2.gz XBBSDZAYLASCDX-PWSUYJOCSA-N 1 0 233.315 0.966 20 30 BCEDRO Cc1ccc([C@@H](O)CNC2=[NH+]C[C@H](C)N2)cc1 ZINC000262683004 135121017 /nfs/dbraw/zinc/12/10/17/135121017.db2.gz XBBSDZAYLASCDX-JQWIXIFHSA-N 1 0 233.315 0.966 20 30 BCEDRO CN1CC[NH+]=C1NCc1nc2ccccc2n1C ZINC000262682277 135121124 /nfs/dbraw/zinc/12/11/24/135121124.db2.gz WUFRJVBOIWRSKZ-UHFFFAOYSA-N 1 0 243.314 0.964 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H](O)c2ccccc2F)N1 ZINC000262672453 135121238 /nfs/dbraw/zinc/12/12/38/135121238.db2.gz RSQLRFLUUARKQX-KWQFWETISA-N 1 0 237.278 0.796 20 30 BCEDRO C[NH+]=C(NCc1ccnn1C)NC1CCC1 ZINC000262753241 135121582 /nfs/dbraw/zinc/12/15/82/135121582.db2.gz AKESDURVFOVQRR-UHFFFAOYSA-N 1 0 221.308 0.638 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1([S@@](C)=O)CC1 ZINC000262820008 135122495 /nfs/dbraw/zinc/12/24/95/135122495.db2.gz XUQVBYOEDPWNMD-OAHLLOKOSA-N 1 0 229.349 0.378 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1cccnn1 ZINC000262884334 135122631 /nfs/dbraw/zinc/12/26/31/135122631.db2.gz FXMGEZZHNVHAPC-QMMMGPOBSA-N 1 0 207.281 0.679 20 30 BCEDRO C[NH+]=C(NC1CCC1)N[C@@H]1CCc2ncnn2C1 ZINC000262810476 135122715 /nfs/dbraw/zinc/12/27/15/135122715.db2.gz VAMFDBVXOOVQKR-SNVBAGLBSA-N 1 0 248.334 0.310 20 30 BCEDRO CCCNC(=[NH2+])NCc1ccc(C)n(C)c1=O ZINC000262815152 135122722 /nfs/dbraw/zinc/12/27/22/135122722.db2.gz VKSKGGVGLWFAOC-UHFFFAOYSA-N 1 0 236.319 0.508 20 30 BCEDRO Cc1noc(C)c1CCNC(=[NH2+])NC1CC1 ZINC000263193176 135125289 /nfs/dbraw/zinc/12/52/89/135125289.db2.gz ZAGNGDQMJZRWOJ-UHFFFAOYSA-N 1 0 222.292 0.901 20 30 BCEDRO CC(C)[C@H](O)C1(CNC(=[NH2+])NC2CC2)CC1 ZINC000263139959 135125490 /nfs/dbraw/zinc/12/54/90/135125490.db2.gz JGLUINZRXJNRGG-JTQLQIEISA-N 1 0 225.336 0.850 20 30 BCEDRO C[NH+]=C(NCc1nccn1C)NC(C)(C)C ZINC000263245822 135125818 /nfs/dbraw/zinc/12/58/18/135125818.db2.gz MUXQEXOKWJJUKZ-UHFFFAOYSA-N 1 0 223.324 0.884 20 30 BCEDRO CN(C)C(=[NH+]CCNc1ccccn1)N(C)C ZINC000263265857 135125839 /nfs/dbraw/zinc/12/58/39/135125839.db2.gz VAVPDEANWRQINM-UHFFFAOYSA-N 1 0 235.335 0.973 20 30 BCEDRO C=CCNC(=O)C[N@H+](CCOC)CC(C)C ZINC000078520114 135129262 /nfs/dbraw/zinc/12/92/62/135129262.db2.gz HYWXTDHGIMOTJZ-UHFFFAOYSA-N 1 0 228.336 0.893 20 30 BCEDRO C[NH+]=C(NCc1cccc(C(N)=O)c1)NC1CC1 ZINC000264040251 135130158 /nfs/dbraw/zinc/13/01/58/135130158.db2.gz IGKCDMKAFIRRBU-UHFFFAOYSA-N 1 0 246.314 0.613 20 30 BCEDRO CCNC(=O)c1ccc(CNC(=[NH2+])NC)cc1 ZINC000264057900 135130412 /nfs/dbraw/zinc/13/04/12/135130412.db2.gz BMAUXJAZHINFKY-UHFFFAOYSA-N 1 0 234.303 0.470 20 30 BCEDRO CCNC(=[NH2+])NCCN1c2ccccc2CC1=O ZINC000264070922 135131081 /nfs/dbraw/zinc/13/10/81/135131081.db2.gz DCMKMCVRMARFFR-UHFFFAOYSA-N 1 0 246.314 0.500 20 30 BCEDRO CNC(=[NH2+])NC[C@H](c1ccccc1)N(C)C ZINC000264058914 135131139 /nfs/dbraw/zinc/13/11/39/135131139.db2.gz BXQVZFFVZHDDDO-LLVKDONJSA-N 1 0 220.320 0.823 20 30 BCEDRO CN(C)C(=[NH2+])NCc1cccc(C(=O)N(C)C)c1 ZINC000264079879 135131753 /nfs/dbraw/zinc/13/17/53/135131753.db2.gz GYTLFXIUEUYPRV-UHFFFAOYSA-N 1 0 248.330 0.765 20 30 BCEDRO C=CCNC(=[NH2+])NCCCOC[C@H]1CCCO1 ZINC000264073902 135131795 /nfs/dbraw/zinc/13/17/95/135131795.db2.gz GRYHQFXBCRYONL-LLVKDONJSA-N 1 0 241.335 0.662 20 30 BCEDRO CCCNC(=[NH2+])NCCCn1ccnc1C ZINC000264077253 135131943 /nfs/dbraw/zinc/13/19/43/135131943.db2.gz GFCVHINAGBEONC-UHFFFAOYSA-N 1 0 223.324 0.896 20 30 BCEDRO C=CCSCCNC(=[NH2+])NCCOC ZINC000264090828 135132357 /nfs/dbraw/zinc/13/23/57/135132357.db2.gz KZFFRARHOORTCA-UHFFFAOYSA-N 1 0 217.338 0.456 20 30 BCEDRO COc1ccc([C@H](O)CNC(=[NH2+])N(C)C)cc1 ZINC000264089953 135132411 /nfs/dbraw/zinc/13/24/11/135132411.db2.gz KQKAMQOZBRMOLW-LLVKDONJSA-N 1 0 237.303 0.605 20 30 BCEDRO Cc1cccc(C(=O)NCCNC(=[NH2+])N(C)C)c1 ZINC000264088876 135132434 /nfs/dbraw/zinc/13/24/34/135132434.db2.gz KILJVWBUCQCUQL-UHFFFAOYSA-N 1 0 248.330 0.601 20 30 BCEDRO C[NH+]=C(NCCc1cccnc1)NC1CC1 ZINC000264091906 135132488 /nfs/dbraw/zinc/13/24/88/135132488.db2.gz WTNGODTVRRMIHT-UHFFFAOYSA-N 1 0 218.304 0.952 20 30 BCEDRO CCCNC(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000264089013 135132580 /nfs/dbraw/zinc/13/25/80/135132580.db2.gz KLEJLKKNTCHWBL-UHFFFAOYSA-N 1 0 234.303 0.600 20 30 BCEDRO CCCCNC(=[NH2+])NCCn1ccnc1 ZINC000264098831 135133223 /nfs/dbraw/zinc/13/32/23/135133223.db2.gz MMUKXTUOPNERFV-UHFFFAOYSA-N 1 0 209.297 0.588 20 30 BCEDRO CCCNC(=[NH2+])NCCNc1ccccn1 ZINC000264113997 135133679 /nfs/dbraw/zinc/13/36/79/135133679.db2.gz PNJXOLLGVOTHLG-UHFFFAOYSA-N 1 0 221.308 0.808 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)c1ccc(C)cc1 ZINC000264121710 135134410 /nfs/dbraw/zinc/13/44/10/135134410.db2.gz VFUKCIGULMHVBM-SNVBAGLBSA-N 1 0 207.277 0.563 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(Cn2cncn2)cc1 ZINC000264148362 135135916 /nfs/dbraw/zinc/13/59/16/135135916.db2.gz YOKRJWGHYFHVLZ-UHFFFAOYSA-N 1 0 244.302 0.361 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1nccn1C ZINC000264155915 135135924 /nfs/dbraw/zinc/13/59/24/135135924.db2.gz APPARXPOTZMWBE-UHFFFAOYSA-N 1 0 207.281 0.401 20 30 BCEDRO C[NH+]=C(NC[C@@H](O)Cc1ccccc1)NC1CC1 ZINC000264168708 135136698 /nfs/dbraw/zinc/13/66/98/135136698.db2.gz XVNNFPDBGOJNMI-ZDUSSCGKSA-N 1 0 247.342 0.917 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000259795488 135144377 /nfs/dbraw/zinc/14/43/77/135144377.db2.gz BUNPPAHQQFRJFV-UWVGGRQHSA-N 1 0 209.293 0.841 20 30 BCEDRO CNC(=[NH2+])NC[C@](C)(O)c1ccsc1 ZINC000265867323 135146426 /nfs/dbraw/zinc/14/64/26/135146426.db2.gz FTHJGXVZYGNUKB-VIFPVBQESA-N 1 0 213.306 0.490 20 30 BCEDRO C[NH+]=C(NC[C@](C)(O)c1ccco1)NC1CC1 ZINC000266118879 135147439 /nfs/dbraw/zinc/14/74/39/135147439.db2.gz LYNHDFLFWFNYFG-LBPRGKRZSA-N 1 0 237.303 0.815 20 30 BCEDRO C[NH+](C)C1CN(c2ncccc2C#N)C1 ZINC000260358392 135148103 /nfs/dbraw/zinc/14/81/03/135148103.db2.gz MVYBKSHUGXKXPT-UHFFFAOYSA-N 1 0 202.261 0.703 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000261536249 135151151 /nfs/dbraw/zinc/15/11/51/135151151.db2.gz QYJWSQPJLQLNCX-RKDXNWHRSA-N 1 0 218.322 0.171 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccc(O)c(F)c1 ZINC000267377016 135153301 /nfs/dbraw/zinc/15/33/01/135153301.db2.gz AHMNSNLUUJTZCS-UHFFFAOYSA-N 1 0 241.266 0.582 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](O)c1cccc(OC)c1 ZINC000267379709 135153543 /nfs/dbraw/zinc/15/35/43/135153543.db2.gz ASNRPFIBLVKKPL-GFCCVEGCSA-N 1 0 249.314 0.819 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCn1cc(C)cn1 ZINC000267429193 135153896 /nfs/dbraw/zinc/15/38/96/135153896.db2.gz MEHMOCCYNUVCRB-JTQLQIEISA-N 1 0 239.323 0.131 20 30 BCEDRO Cc1cccc2oc(CCNC(N)=[NH2+])nc21 ZINC000267428079 135153916 /nfs/dbraw/zinc/15/39/16/135153916.db2.gz LVHPFLVXYHRMHL-UHFFFAOYSA-N 1 0 218.260 0.952 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCc1noc(CC)n1 ZINC000267403751 135153971 /nfs/dbraw/zinc/15/39/71/135153971.db2.gz GNGBHNAMWQLMCH-UHFFFAOYSA-N 1 0 237.307 0.655 20 30 BCEDRO CNC(=[NH2+])NC[C@H](C)Oc1ccc(OC)cc1 ZINC000267407251 135154071 /nfs/dbraw/zinc/15/40/71/135154071.db2.gz HFKHLSFJZSZRLV-VIFPVBQESA-N 1 0 237.303 0.997 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)c1cccc(OC)c1 ZINC000267454582 135154639 /nfs/dbraw/zinc/15/46/39/135154639.db2.gz SNVICCWXPJCPDO-JTQLQIEISA-N 1 0 223.276 0.263 20 30 BCEDRO COCCNC(=[NH2+])NCCc1c(C)noc1C ZINC000267466829 135154837 /nfs/dbraw/zinc/15/48/37/135154837.db2.gz WQMZMIZACYJZNQ-UHFFFAOYSA-N 1 0 240.307 0.385 20 30 BCEDRO CNC(NC[C@H](CO)c1ccccc1)=[NH+]C ZINC000267464632 135155086 /nfs/dbraw/zinc/15/50/86/135155086.db2.gz WCEIYOBKUYPWOP-LLVKDONJSA-N 1 0 221.304 0.557 20 30 BCEDRO CNC(=[NH2+])NCCCCn1ccnc1C ZINC000267443718 135155138 /nfs/dbraw/zinc/15/51/38/135155138.db2.gz PSDDCJWVKGBWLK-UHFFFAOYSA-N 1 0 209.297 0.506 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCOCC(F)F)N1 ZINC000261529489 135156077 /nfs/dbraw/zinc/15/60/77/135156077.db2.gz SONVZIMEGSUSIO-LURJTMIESA-N 1 0 207.224 0.205 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2ccccn2)N1 ZINC000261530786 135159138 /nfs/dbraw/zinc/15/91/38/135159138.db2.gz DBEWNTKSLHJPGZ-SECBINFHSA-N 1 0 204.277 0.561 20 30 BCEDRO CNC(=O)C[N@H+](C)CCCC(C)(C)C#N ZINC000087608472 135159175 /nfs/dbraw/zinc/15/91/75/135159175.db2.gz ARFXFHWXHSVLPG-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000261532299 135162617 /nfs/dbraw/zinc/16/26/17/135162617.db2.gz ACWFRLAKTJKFEI-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO CNC(NCCCc1ccccn1)=[NH+]C ZINC000269388967 135165543 /nfs/dbraw/zinc/16/55/43/135165543.db2.gz RKIFNCCBGDPHQR-UHFFFAOYSA-N 1 0 206.293 0.809 20 30 BCEDRO CN(C)C(=[NH2+])NCCOc1ncccc1F ZINC000269466266 135165823 /nfs/dbraw/zinc/16/58/23/135165823.db2.gz JLECNPZJNUOXRA-UHFFFAOYSA-N 1 0 226.255 0.476 20 30 BCEDRO CNC(=[NH2+])NC[C@]1(O)CCc2ccccc21 ZINC000269717999 135167217 /nfs/dbraw/zinc/16/72/17/135167217.db2.gz TVOGWBPGTAHBOZ-GFCCVEGCSA-N 1 0 219.288 0.355 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2ccncc2)N1 ZINC000261534389 135167227 /nfs/dbraw/zinc/16/72/27/135167227.db2.gz MERCAEGRTOBGKV-VIFPVBQESA-N 1 0 204.277 0.561 20 30 BCEDRO C=CCCOCCNC(=[NH2+])N[C@@H](C)COC ZINC000270152394 135169662 /nfs/dbraw/zinc/16/96/62/135169662.db2.gz VTLBIHAANVWXDT-JTQLQIEISA-N 1 0 229.324 0.518 20 30 BCEDRO C[C@H]1[C@@H]([NH3+])CCN1c1cccnc1C#N ZINC000261537921 135174461 /nfs/dbraw/zinc/17/44/61/135174461.db2.gz WRFWDLIHLWEFOF-IUCAKERBSA-N 1 0 202.261 0.879 20 30 BCEDRO C=CCN(C)C(=O)C1(OC)CC[NH2+]CC1 ZINC000261538509 135176430 /nfs/dbraw/zinc/17/64/30/135176430.db2.gz YIPVQSYQBYCOLH-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292839471 135178138 /nfs/dbraw/zinc/17/81/38/135178138.db2.gz BAHSFBVSGWKKHQ-CYBMUJFWSA-N 1 0 248.330 0.821 20 30 BCEDRO N#CCCOCC[N@@H+](CCO)Cc1cccnc1 ZINC000292809552 135178436 /nfs/dbraw/zinc/17/84/36/135178436.db2.gz MZSIAOYUABWAHF-UHFFFAOYSA-N 1 0 249.314 0.806 20 30 BCEDRO CN1CC[NH+]=C1NCCC(=O)N1CCCCC1 ZINC000261541235 135181201 /nfs/dbraw/zinc/18/12/01/135181201.db2.gz AXNJRYJGYZMGEG-UHFFFAOYSA-N 1 0 238.335 0.280 20 30 BCEDRO C[C@H]1OCC[C@]1(O)CNC(=[NH2+])NC1CCCC1 ZINC000261544415 135185610 /nfs/dbraw/zinc/18/56/10/135185610.db2.gz XYHYKDQMYNXMDF-SKDRFNHKSA-N 1 0 241.335 0.373 20 30 BCEDRO C#CCC[N@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000295086631 135188836 /nfs/dbraw/zinc/18/88/36/135188836.db2.gz DVUKAMOWDPSKJK-LBPRGKRZSA-N 1 0 225.288 0.521 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000261553491 135193232 /nfs/dbraw/zinc/19/32/32/135193232.db2.gz SOGREVHRGRAVJS-VHSXEESVSA-N 1 0 212.293 0.303 20 30 BCEDRO N#Cc1cccc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000261557703 135197470 /nfs/dbraw/zinc/19/74/70/135197470.db2.gz RUWODXBITNHVGZ-WDEREUQCSA-N 1 0 228.299 0.999 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@H](C[NH3+])C1 ZINC000261563817 135205561 /nfs/dbraw/zinc/20/55/61/135205561.db2.gz CAOOKBFRSPVVOX-SNVBAGLBSA-N 1 0 232.349 0.563 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2cccc(CO)c2)N1 ZINC000261566449 135208519 /nfs/dbraw/zinc/20/85/19/135208519.db2.gz DOZUSTZLZTXPMP-SECBINFHSA-N 1 0 219.288 0.616 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCC(=O)NC(C)(C)C)N1 ZINC000261581240 135222688 /nfs/dbraw/zinc/22/26/88/135222688.db2.gz NLCXHCGVPYCQJD-QMMMGPOBSA-N 1 0 226.324 0.229 20 30 BCEDRO C=CCNC(=O)CN1CCOC[C@]1(C)CC ZINC000340898665 135230637 /nfs/dbraw/zinc/23/06/37/135230637.db2.gz XJWGWUDPCDEMPE-LBPRGKRZSA-N 1 0 226.320 0.790 20 30 BCEDRO CC#CCN(C)C(=O)[C@@H]1C[N@@H+](C(C)C)CCO1 ZINC000341002217 135232038 /nfs/dbraw/zinc/23/20/38/135232038.db2.gz DANWAVQWAKBACB-LBPRGKRZSA-N 1 0 238.331 0.577 20 30 BCEDRO C[C@@H](CNC(=O)CCCC#N)C[NH+](C)C ZINC000341261959 135235233 /nfs/dbraw/zinc/23/52/33/135235233.db2.gz ACMHSAUWZGRPHH-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C#CCNC(=[NH+]C)N(C)CCC1CCOCC1 ZINC000261651626 135242268 /nfs/dbraw/zinc/24/22/68/135242268.db2.gz ABAJOISMLOOBJA-UHFFFAOYSA-N 1 0 237.347 0.944 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000341788278 135243221 /nfs/dbraw/zinc/24/32/21/135243221.db2.gz JZYQJIHLHLBKDY-OUAUKWLOSA-N 1 0 223.320 0.802 20 30 BCEDRO [NH2+]=C(NCc1ccco1)NC[C@H]1CCCO1 ZINC000261763791 135250927 /nfs/dbraw/zinc/25/09/27/135250927.db2.gz LTQOAUSAENVBSA-SNVBAGLBSA-N 1 0 223.276 0.863 20 30 BCEDRO [NH2+]=C(NCCc1cnc(C2CC2)nc1)NC1CC1 ZINC000261823592 135255474 /nfs/dbraw/zinc/25/54/74/135255474.db2.gz URBFFEYKWVGRMS-UHFFFAOYSA-N 1 0 245.330 0.963 20 30 BCEDRO C[C@@H](NC(N)=[NH2+])c1ccc([S@](C)=O)cc1 ZINC000261831775 135256498 /nfs/dbraw/zinc/25/64/98/135256498.db2.gz VMAAFUUIHWTCLR-MLXNANBUSA-N 1 0 225.317 0.758 20 30 BCEDRO CNC(NCc1nccn1C(F)F)=[NH+]C ZINC000261884123 135259637 /nfs/dbraw/zinc/25/96/37/135259637.db2.gz RNJPCZJXLIHZLP-UHFFFAOYSA-N 1 0 217.223 0.573 20 30 BCEDRO [NH2+]=C(NCc1cccnc1)NC[C@@H]1CCCO1 ZINC000261908122 135261644 /nfs/dbraw/zinc/26/16/44/135261644.db2.gz XMWIZAXZUGBZMW-NSHDSACASA-N 1 0 234.303 0.665 20 30 BCEDRO Cc1cc(CNC(=[NH2+])NC2CC2)n(C)n1 ZINC000261900343 135261681 /nfs/dbraw/zinc/26/16/81/135261681.db2.gz VUZWQUNCJDZHBY-UHFFFAOYSA-N 1 0 207.281 0.295 20 30 BCEDRO CCC(=O)N1CC[C@H](NC(=[NH+]C)N(C)C)C1 ZINC000261945115 135264894 /nfs/dbraw/zinc/26/48/94/135264894.db2.gz FQMBRSWKASZTKS-VIFPVBQESA-N 1 0 226.324 0.134 20 30 BCEDRO [NH2+]=C(NC[C@H](O)C(F)(F)F)NCC1CCC1 ZINC000262006150 135271279 /nfs/dbraw/zinc/27/12/79/135271279.db2.gz RLBAPCRECCHQBP-ZETCQYMHSA-N 1 0 239.241 0.614 20 30 BCEDRO CC(C)CNC(=[NH2+])NCCN1CCOC[C@H]1C ZINC000262010310 135272169 /nfs/dbraw/zinc/27/21/69/135272169.db2.gz SYVCGKBEDMWXLE-LLVKDONJSA-N 1 0 242.367 0.267 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1nncn1CC ZINC000262026760 135273578 /nfs/dbraw/zinc/27/35/78/135273578.db2.gz ZRAFFEBHRCICAD-UHFFFAOYSA-N 1 0 222.296 0.278 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1scnc1C ZINC000262023941 135274016 /nfs/dbraw/zinc/27/40/16/135274016.db2.gz YWQYBDAOHIADFA-ZETCQYMHSA-N 1 0 242.348 0.891 20 30 BCEDRO C[NH+]=C(NC[C@H]1CCCO1)N1CCCC1 ZINC000262068782 135276959 /nfs/dbraw/zinc/27/69/59/135276959.db2.gz BUQDMMSHEGSDAN-SNVBAGLBSA-N 1 0 211.309 0.837 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CCOC[C@@H]1C ZINC000262120407 135279783 /nfs/dbraw/zinc/27/97/83/135279783.db2.gz LXTLTWIKJVQXTR-VHSXEESVSA-N 1 0 211.309 0.749 20 30 BCEDRO C#C[C@@H](NC(=[NH2+])NC[C@@H]1CCCO1)C(C)C ZINC000262122983 135280833 /nfs/dbraw/zinc/28/08/33/135280833.db2.gz JUNSPHPTVSNCOC-WDEREUQCSA-N 1 0 223.320 0.728 20 30 BCEDRO C[NH+]=C(NCc1nnc2n1CCC2)NC1CC1 ZINC000262165109 135283339 /nfs/dbraw/zinc/28/33/39/135283339.db2.gz UFYSFTARWZFAMD-UHFFFAOYSA-N 1 0 234.307 0.052 20 30 BCEDRO C#C[C@@H](NC(=[NH2+])N1CCO[C@H](C)C1)C(C)C ZINC000262190701 135284468 /nfs/dbraw/zinc/28/44/68/135284468.db2.gz RDCFTNSALRLCNY-GHMZBOCLSA-N 1 0 223.320 0.680 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000262196004 135285302 /nfs/dbraw/zinc/28/53/02/135285302.db2.gz JZKNJGNZEFDNNB-VHSXEESVSA-N 1 0 211.309 0.989 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@]2(O)CCC[C@H]2C)N1 ZINC000262220718 135285448 /nfs/dbraw/zinc/28/54/48/135285448.db2.gz MPLCSGHDTMBKJE-KKZNHRDASA-N 1 0 211.309 0.475 20 30 BCEDRO C[NH+]=C(NC[C@H]1CC[N@H+](C)C1)N1CCCC1 ZINC000262193339 135285709 /nfs/dbraw/zinc/28/57/09/135285709.db2.gz ZARBEZJWRGZJGI-LLVKDONJSA-N 1 0 224.352 0.609 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)N1CCSCC1 ZINC000262273559 135288671 /nfs/dbraw/zinc/28/86/71/135288671.db2.gz KRDISWHILCQUHF-SECBINFHSA-N 1 0 229.349 0.529 20 30 BCEDRO CN(C)c1nccc(CNC(=[NH2+])N(C)C2CC2)n1 ZINC000262265982 135289087 /nfs/dbraw/zinc/28/90/87/135289087.db2.gz SAVUBFSBFJXUKS-UHFFFAOYSA-N 1 0 248.334 0.452 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCCS1)N1CCOCC1 ZINC000262207312 135289997 /nfs/dbraw/zinc/28/99/97/135289997.db2.gz IHKQZSDPQOTOQQ-SNVBAGLBSA-N 1 0 243.376 0.919 20 30 BCEDRO CN(C(=[NH2+])NCc1nnc2n1CCCC2)C1CC1 ZINC000262300028 135291646 /nfs/dbraw/zinc/29/16/46/135291646.db2.gz ZMOIZEASVVQFMF-UHFFFAOYSA-N 1 0 248.334 0.523 20 30 BCEDRO CS(=O)(=O)C1(CNC(=[NH2+])NC2CC2)CCC1 ZINC000262313230 135292373 /nfs/dbraw/zinc/29/23/73/135292373.db2.gz AVPWLZSCEMGYOX-UHFFFAOYSA-N 1 0 245.348 0.020 20 30 BCEDRO C[C@H]1CCC[C@]1(O)CNC1=[NH+]CCN1C ZINC000262303492 135292488 /nfs/dbraw/zinc/29/24/88/135292488.db2.gz XVUUYTTVMYJVGS-ONGXEEELSA-N 1 0 211.309 0.429 20 30 BCEDRO C[NH+]=C(NC1CCC1)N1CCN(C(C)=O)CC1 ZINC000262334343 135293616 /nfs/dbraw/zinc/29/36/16/135293616.db2.gz BMTWCEHSVFEWCH-UHFFFAOYSA-N 1 0 238.335 0.278 20 30 BCEDRO CC(C)(C)[S@](=O)CCNC(=[NH2+])NC1CC1 ZINC000262337242 135294020 /nfs/dbraw/zinc/29/40/20/135294020.db2.gz ZOYBVSMGXNNOQY-OAHLLOKOSA-N 1 0 231.365 0.600 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H]1CCCSC1 ZINC000262333133 135294104 /nfs/dbraw/zinc/29/41/04/135294104.db2.gz WCIIZTKDQDKYSI-SECBINFHSA-N 1 0 231.365 0.680 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])N[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000262399862 135295121 /nfs/dbraw/zinc/29/51/21/135295121.db2.gz HEFVAYDEXFJNAR-INTQDDNPSA-N 1 0 223.320 0.820 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])N[C@@H]2C[C@H]2C2CC2)CCO1 ZINC000262399861 135295247 /nfs/dbraw/zinc/29/52/47/135295247.db2.gz HEFVAYDEXFJNAR-DVVUODLYSA-N 1 0 223.320 0.820 20 30 BCEDRO CNC(NC[C@@]1(N(C)C)CCSC1)=[NH+]C ZINC000262424007 135296453 /nfs/dbraw/zinc/29/64/53/135296453.db2.gz CBIXXKORLNZCPS-JTQLQIEISA-N 1 0 230.381 0.219 20 30 BCEDRO COCCNC(=[NH2+])NC[C@]1(C)CCCC[C@@H]1O ZINC000262431035 135296767 /nfs/dbraw/zinc/29/67/67/135296767.db2.gz FAAAVOFFBTUKJF-JQWIXIFHSA-N 1 0 243.351 0.478 20 30 BCEDRO [NH2+]=C(NCC(F)F)N1CCSCC1 ZINC000262430792 135296794 /nfs/dbraw/zinc/29/67/94/135296794.db2.gz OGZSYFVENBWQHA-UHFFFAOYSA-N 1 0 209.265 0.615 20 30 BCEDRO CNC(N[C@@H]1C[C@](C)(OC)C1(C)C)=[NH+]C ZINC000262429717 135297073 /nfs/dbraw/zinc/29/70/73/135297073.db2.gz SFAAGTSZFUXGOJ-KCJUWKMLSA-N 1 0 213.325 0.985 20 30 BCEDRO N#CCC1(CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000262386652 135298678 /nfs/dbraw/zinc/29/86/78/135298678.db2.gz HWFWWWNLMMVZCO-JTQLQIEISA-N 1 0 236.319 0.764 20 30 BCEDRO C[NH+]=C(NC[C@H]1CCCO1)NC1CCC1 ZINC000262461270 135300065 /nfs/dbraw/zinc/30/00/65/135300065.db2.gz WDTHSGLEPQEVTG-SNVBAGLBSA-N 1 0 211.309 0.883 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC2CC(F)(F)C2)CCO1 ZINC000262454197 135300462 /nfs/dbraw/zinc/30/04/62/135300462.db2.gz KQDBHRIUTQZPQC-SSDOTTSWSA-N 1 0 233.262 0.820 20 30 BCEDRO C[NH+]=C(NCC1CC1)N1CC[C@@H](COC)C1 ZINC000262472579 135300832 /nfs/dbraw/zinc/30/08/32/135300832.db2.gz PEZULVLTOLOHSA-LLVKDONJSA-N 1 0 225.336 0.940 20 30 BCEDRO Cc1cccnc1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262472693 135301138 /nfs/dbraw/zinc/30/11/38/135301138.db2.gz PHEWMQIEKBHIOJ-LLVKDONJSA-N 1 0 248.330 0.925 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCc2ccco2)CCO1 ZINC000262480757 135301591 /nfs/dbraw/zinc/30/15/91/135301591.db2.gz RLGJQSUEMKWEAM-VIFPVBQESA-N 1 0 223.276 0.815 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2cccc(O)c2)N1 ZINC000262475902 135301746 /nfs/dbraw/zinc/30/17/46/135301746.db2.gz CACYRJGMBRCJHH-QMMMGPOBSA-N 1 0 205.261 0.830 20 30 BCEDRO C[C@H]1COCC[C@@H]1CNC1=[NH+]CCN1C ZINC000262475935 135302061 /nfs/dbraw/zinc/30/20/61/135302061.db2.gz CCGSOZNUWWSFGK-VHSXEESVSA-N 1 0 211.309 0.550 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCc2nccs2)CCO1 ZINC000262493006 135302720 /nfs/dbraw/zinc/30/27/20/135302720.db2.gz VMLGREQOGJJVPH-QMMMGPOBSA-N 1 0 240.332 0.679 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H]1CCC(F)(F)C1 ZINC000262495464 135302808 /nfs/dbraw/zinc/30/28/08/135302808.db2.gz YDPVRZDLQOVLMC-QMMMGPOBSA-N 1 0 235.278 0.973 20 30 BCEDRO CCN(C)C(=O)CNC(=[NH2+])Nc1ccccn1 ZINC000262528591 135303723 /nfs/dbraw/zinc/30/37/23/135303723.db2.gz PEEJOSUBVBVEAT-UHFFFAOYSA-N 1 0 235.291 0.287 20 30 BCEDRO CN(C)C(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262540989 135304700 /nfs/dbraw/zinc/30/47/00/135304700.db2.gz RVLJWEWGNOANFY-HLTSFMKQSA-N 1 0 211.309 0.676 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000262536616 135305050 /nfs/dbraw/zinc/30/50/50/135305050.db2.gz KCEWVHNULVUKQE-VIFPVBQESA-N 1 0 238.335 0.310 20 30 BCEDRO [NH2+]=C(NC[C@]1(O)CCSC1)NC1CCCC1 ZINC000262544966 135305165 /nfs/dbraw/zinc/30/51/65/135305165.db2.gz RTPJSCLODDVDSK-LLVKDONJSA-N 1 0 243.376 0.701 20 30 BCEDRO CCCNC(=[NH2+])NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000262580701 135306218 /nfs/dbraw/zinc/30/62/18/135306218.db2.gz QKEJNWULPRKDIZ-VIFPVBQESA-N 1 0 238.335 0.312 20 30 BCEDRO CNC(NCC1(C(=O)N(C)C)CCCC1)=[NH+]C ZINC000262566610 135306488 /nfs/dbraw/zinc/30/64/88/135306488.db2.gz LOODHQDJKVTPBZ-UHFFFAOYSA-N 1 0 240.351 0.430 20 30 BCEDRO CN1CC[NH+]=C1NC[C@H]1COc2ccccc2O1 ZINC000262630319 135309639 /nfs/dbraw/zinc/30/96/39/135309639.db2.gz FPNZSGNAWOHKHN-JTQLQIEISA-N 1 0 247.298 0.717 20 30 BCEDRO CO[C@@H]1CCC[C@H]1CNC1=[NH+]CCN1C ZINC000262653971 135311037 /nfs/dbraw/zinc/31/10/37/135311037.db2.gz KZEXFKOKNCLZKV-VHSXEESVSA-N 1 0 211.309 0.693 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2nc(C(F)(F)F)n[nH]2)N1 ZINC000262644673 135311214 /nfs/dbraw/zinc/31/12/14/135311214.db2.gz ITYOXZMFAPYVMD-BYPYZUCNSA-N 1 0 248.212 0.261 20 30 BCEDRO CO[C@@H]1CCC[C@@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262656363 135311728 /nfs/dbraw/zinc/31/17/28/135311728.db2.gz LSUNRQLKLFGMRF-OPRDCNLKSA-N 1 0 211.309 0.739 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@]2(N(C)C)CCSC2)N1 ZINC000262661777 135311825 /nfs/dbraw/zinc/31/18/25/135311825.db2.gz NBFYJTUEWVBUNK-MWLCHTKSSA-N 1 0 242.392 0.361 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@]2(N(C)C)CCSC2)N1 ZINC000262661776 135312116 /nfs/dbraw/zinc/31/21/16/135312116.db2.gz NBFYJTUEWVBUNK-KOLCDFICSA-N 1 0 242.392 0.361 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2c3c(nn2C)CCCC3)N1 ZINC000262657341 135312287 /nfs/dbraw/zinc/31/22/87/135312287.db2.gz KTNBYDSDCIUGNX-VIFPVBQESA-N 1 0 247.346 0.736 20 30 BCEDRO C[C@H]1C[C@@H](CNC2=[NH+]CCN2C)CCO1 ZINC000262668416 135312478 /nfs/dbraw/zinc/31/24/78/135312478.db2.gz PWAGKQDTGJJXMQ-UWVGGRQHSA-N 1 0 211.309 0.693 20 30 BCEDRO CNC(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)=[NH+]C ZINC000262684638 135313359 /nfs/dbraw/zinc/31/33/59/135313359.db2.gz UPWBOBOKXKMXSB-YIZRAAEISA-N 1 0 211.309 0.595 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCOC[C@H]2C)N1 ZINC000262676634 135313377 /nfs/dbraw/zinc/31/33/77/135313377.db2.gz UEXROWSYJNHDFO-OPRDCNLKSA-N 1 0 211.309 0.596 20 30 BCEDRO CN1CC[NH+]=C1N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262686849 135313624 /nfs/dbraw/zinc/31/36/24/135313624.db2.gz YQOVTLAEYFNDCY-OPRDCNLKSA-N 1 0 223.320 0.691 20 30 BCEDRO CCNC(=O)C1(CNC2=[NH+]C[C@H](C)N2)CCC1 ZINC000262689984 135313677 /nfs/dbraw/zinc/31/36/77/135313677.db2.gz ZUTQZPXPHHESNE-VIFPVBQESA-N 1 0 238.335 0.230 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)N[C@H](C)C(=O)N(C)C ZINC000342717305 135314064 /nfs/dbraw/zinc/31/40/64/135314064.db2.gz FDSPDUHKBJCTAC-SNVBAGLBSA-N 1 0 241.335 0.087 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000342727458 135315819 /nfs/dbraw/zinc/31/58/19/135315819.db2.gz ULNDWYJCHZMFAK-UHFFFAOYSA-N 1 0 225.336 0.268 20 30 BCEDRO C[S@@](=O)C1(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000262808802 135318703 /nfs/dbraw/zinc/31/87/03/135318703.db2.gz UPROIGLNDFBCNL-MRXNPFEDSA-N 1 0 243.376 0.602 20 30 BCEDRO C[S@](=O)C1(CNC(=[NH2+])NCC2CCC2)CC1 ZINC000262808801 135319235 /nfs/dbraw/zinc/31/92/35/135319235.db2.gz UPROIGLNDFBCNL-INIZCTEOSA-N 1 0 243.376 0.602 20 30 BCEDRO C=CCNC(=[NH2+])N[C@@H]1C[C@H](OC)C1(C)C ZINC000262806684 135319392 /nfs/dbraw/zinc/31/93/92/135319392.db2.gz NNDRMWDNWBYMHH-BDAKNGLRSA-N 1 0 211.309 0.890 20 30 BCEDRO CCNC(NC[C@]1(O)CCO[C@@H]1C)=[NH+]CC ZINC000262911953 135323444 /nfs/dbraw/zinc/32/34/44/135323444.db2.gz YOYYJRSYIKEOMA-MWLCHTKSSA-N 1 0 229.324 0.101 20 30 BCEDRO Cc1cccnc1CCNC1=[NH+]CCN1C ZINC000263052945 135329701 /nfs/dbraw/zinc/32/97/01/135329701.db2.gz DQRYHKUJLOPEDK-UHFFFAOYSA-N 1 0 218.304 0.824 20 30 BCEDRO [NH2+]=C(N[C@@H]1C[C@H]1C1CCC1)N1CCOCC1 ZINC000263054564 135330033 /nfs/dbraw/zinc/33/00/33/135330033.db2.gz LOGIGFHJMAJLMX-WDEREUQCSA-N 1 0 223.320 0.822 20 30 BCEDRO CO[C@@H](CNC(=[NH2+])N1CCO[C@@H](C)C1)C1CC1 ZINC000263066739 135330676 /nfs/dbraw/zinc/33/06/76/135330676.db2.gz GFWZXESXCDBLLL-ONGXEEELSA-N 1 0 241.335 0.447 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1nn(CC)nc1C ZINC000263077856 135330985 /nfs/dbraw/zinc/33/09/85/135330985.db2.gz RBFYZRCWHMTIBQ-QMMMGPOBSA-N 1 0 238.339 0.809 20 30 BCEDRO CCO[C@H]1C[C@@H](NC(=[NH2+])N2CCOCC2)C1 ZINC000263083809 135332106 /nfs/dbraw/zinc/33/21/06/135332106.db2.gz IAIMRJRJROKHMX-AOOOYVTPSA-N 1 0 227.308 0.201 20 30 BCEDRO Cc1cccc(CCNC(=[NH2+])N2CCC2)n1 ZINC000263122808 135334240 /nfs/dbraw/zinc/33/42/40/135334240.db2.gz MDSSIQQKBQMNCK-UHFFFAOYSA-N 1 0 218.304 0.953 20 30 BCEDRO CC1(C)CC[C@@H](CNC(=[NH2+])N2CCC2)O1 ZINC000263150384 135335447 /nfs/dbraw/zinc/33/54/47/135335447.db2.gz PIDNTGNPCMYHIW-VIFPVBQESA-N 1 0 211.309 0.964 20 30 BCEDRO CNC(NC[C@H]1COC2(CCCCC2)O1)=[NH+]C ZINC000263141461 135335711 /nfs/dbraw/zinc/33/57/11/135335711.db2.gz JRLSYZQRORHAGT-JTQLQIEISA-N 1 0 241.335 0.857 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[C@H](C)O1 ZINC000263191161 135338407 /nfs/dbraw/zinc/33/84/07/135338407.db2.gz VSVOSIYSLVREEF-LPEHRKFASA-N 1 0 229.324 0.493 20 30 BCEDRO CO[C@@H]1CCC[C@H]1CNC(=[NH2+])N1CCOCC1 ZINC000263191356 135338462 /nfs/dbraw/zinc/33/84/62/135338462.db2.gz YPCXSYXDEITILQ-WDEREUQCSA-N 1 0 241.335 0.448 20 30 BCEDRO C[NH+]=C(NCc1cnn(C)n1)NCc1ccco1 ZINC000263190191 135338519 /nfs/dbraw/zinc/33/85/19/135338519.db2.gz YCEKYCYUDYDCFB-UHFFFAOYSA-N 1 0 248.290 0.273 20 30 BCEDRO CCn1ccc(C[NH+]=C(N(C)C)N(C)C)n1 ZINC000263197533 135338663 /nfs/dbraw/zinc/33/86/63/135338663.db2.gz WRNNQXVBZQPDAO-UHFFFAOYSA-N 1 0 223.324 0.882 20 30 BCEDRO CO[C@@H](C[NH+]=C(N(C)C)N(C)C)C1CC1 ZINC000263194081 135338839 /nfs/dbraw/zinc/33/88/39/135338839.db2.gz WESRDJZNSVLIOH-JTQLQIEISA-N 1 0 213.325 0.891 20 30 BCEDRO CO[C@H]1COCC[C@H]1CNC(=[NH2+])NCC(C)C ZINC000263215522 135340205 /nfs/dbraw/zinc/34/02/05/135340205.db2.gz ZWXDGULKXPBDIL-QWRGUYRKSA-N 1 0 243.351 0.598 20 30 BCEDRO CC/C=C/CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000263212321 135340397 /nfs/dbraw/zinc/34/03/97/135340397.db2.gz ZGAVREAXPZPLTQ-ORAHPGNNSA-N 1 0 211.309 0.988 20 30 BCEDRO CO[C@H]1COCC[C@@H]1CNC(=[NH2+])NCC(C)C ZINC000263215521 135340438 /nfs/dbraw/zinc/34/04/38/135340438.db2.gz ZWXDGULKXPBDIL-MNOVXSKESA-N 1 0 243.351 0.598 20 30 BCEDRO C[C@@H]1COCC[C@@H]1CNC1=[NH+]CCCN1C ZINC000263213028 135340497 /nfs/dbraw/zinc/34/04/97/135340497.db2.gz ZKIZPFROJSOHCX-GHMZBOCLSA-N 1 0 225.336 0.940 20 30 BCEDRO C=CCNC(NC[C@@H]1COCCO1)=[NH+]CC ZINC000263226963 135340704 /nfs/dbraw/zinc/34/07/04/135340704.db2.gz GTACAVYWWBFTRG-SNVBAGLBSA-N 1 0 227.308 0.143 20 30 BCEDRO CC#CCNC(=O)CCN1CC[NH+](CC)CC1 ZINC000343005023 135344010 /nfs/dbraw/zinc/34/40/10/135344010.db2.gz VAOXRUVEAIIJTL-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO C=CCOCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000343129790 135358978 /nfs/dbraw/zinc/35/89/78/135358978.db2.gz HITQLIWEOHXIEA-JTQLQIEISA-N 1 0 212.293 0.257 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](O)C3(CC3)C2)C1=O ZINC000334346355 135363785 /nfs/dbraw/zinc/36/37/85/135363785.db2.gz VXHXPFSAWVAVAM-GHMZBOCLSA-N 1 0 236.315 0.230 20 30 BCEDRO C=C(C)CC[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000334342934 135364525 /nfs/dbraw/zinc/36/45/25/135364525.db2.gz QPGHWBUTABTRSK-UHFFFAOYSA-N 1 0 246.376 0.920 20 30 BCEDRO C=CCNC(=O)C[NH2+]C(CC)(CC)CCO ZINC000282361105 135372114 /nfs/dbraw/zinc/37/21/14/135372114.db2.gz DGKZRCSXZLJBKZ-UHFFFAOYSA-N 1 0 228.336 0.819 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc(N(C)C)s1 ZINC000289756250 135373632 /nfs/dbraw/zinc/37/36/32/135373632.db2.gz HWZVSXPSRIRXBJ-MRVPVSSYSA-N 1 0 227.333 0.846 20 30 BCEDRO CCCNC(=[NH2+])NCCc1nnc(C)s1 ZINC000290446343 135374487 /nfs/dbraw/zinc/37/44/87/135374487.db2.gz CFVIBWWOHSNFAY-UHFFFAOYSA-N 1 0 227.337 0.703 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000294543980 135378256 /nfs/dbraw/zinc/37/82/56/135378256.db2.gz KLAIAZOCEWDFOI-WDEREUQCSA-N 1 0 226.320 0.823 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000334399245 135388136 /nfs/dbraw/zinc/38/81/36/135388136.db2.gz DJHWEAHEXZDLPY-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCCO1 ZINC000182293667 135522805 /nfs/dbraw/zinc/52/28/05/135522805.db2.gz GRTSAQSTWJCOOF-ZJUUUORDSA-N 1 0 225.292 0.173 20 30 BCEDRO C=CCCCN(C)C(=O)C[C@@H](C[NH3+])OC ZINC000232125574 135648148 /nfs/dbraw/zinc/64/81/48/135648148.db2.gz URPQLJOYTLABOP-JTQLQIEISA-N 1 0 214.309 0.775 20 30 BCEDRO C=C[C@H]1CCCCN1C(=O)NCC1C[NH2+]C1 ZINC000334947433 135865741 /nfs/dbraw/zinc/86/57/41/135865741.db2.gz LOXCGUWKYJWUND-NSHDSACASA-N 1 0 223.320 0.956 20 30 BCEDRO CN(CC[NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000335033150 135869584 /nfs/dbraw/zinc/86/95/84/135869584.db2.gz FZHNWDJZEZBEFM-DTWKUNHWSA-N 1 0 210.281 0.279 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000346393800 135922429 /nfs/dbraw/zinc/92/24/29/135922429.db2.gz CRONBJDUPPYIOI-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCOCCC[NH+]1CCN(C(C)=O)CC1 ZINC000347968403 136017878 /nfs/dbraw/zinc/01/78/78/136017878.db2.gz JTMWNNWMRGYRBS-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=CCOCCC[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000348053435 136031502 /nfs/dbraw/zinc/03/15/02/136031502.db2.gz VJGOBKUOOICOIY-LBPRGKRZSA-N 1 0 238.331 0.886 20 30 BCEDRO C=CCOCCC[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000348170786 136042866 /nfs/dbraw/zinc/04/28/66/136042866.db2.gz SLRWXVGYWIMOBL-RYUDHWBXSA-N 1 0 229.320 0.925 20 30 BCEDRO C=CCOCCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000348192803 136049651 /nfs/dbraw/zinc/04/96/51/136049651.db2.gz JFPCCRDPLNMSKP-UHFFFAOYSA-N 1 0 222.292 0.756 20 30 BCEDRO N#CCCC1CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000335378834 136086754 /nfs/dbraw/zinc/08/67/54/136086754.db2.gz HWHLCORKXGJXTM-LLVKDONJSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCCOCC(=O)NCC1CC[NH2+]CC1 ZINC000644094875 397758589 /nfs/dbraw/zinc/75/85/89/397758589.db2.gz CINCDGHTOAUMSG-UHFFFAOYSA-N 1 0 226.320 0.695 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ccc2c(c1)OCO2 ZINC000170904945 397825549 /nfs/dbraw/zinc/82/55/49/397825549.db2.gz KIVJKFXPQVBWSN-UHFFFAOYSA-N 1 0 221.260 0.792 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592150173 397943916 /nfs/dbraw/zinc/94/39/16/397943916.db2.gz BMICUSKNSQQNFK-LLVKDONJSA-N 1 0 210.277 0.539 20 30 BCEDRO C=CCCS(=O)(=O)NCC1CC[NH2+]CC1 ZINC000390751974 397900410 /nfs/dbraw/zinc/90/04/10/397900410.db2.gz DNYDAESHAGTWOM-UHFFFAOYSA-N 1 0 232.349 0.482 20 30 BCEDRO C#CC[C@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000364733394 397910649 /nfs/dbraw/zinc/91/06/49/397910649.db2.gz JMYNFSYYEQGUQJ-QMMMGPOBSA-N 1 0 232.287 0.197 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@@]12CCNC2=O ZINC000593996187 397963144 /nfs/dbraw/zinc/96/31/44/397963144.db2.gz NBBFSVNSWQJJGZ-NSHDSACASA-N 1 0 207.277 0.645 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000388801236 398001400 /nfs/dbraw/zinc/00/14/00/398001400.db2.gz NAVBLZSASYHVCJ-SSDOTTSWSA-N 1 0 213.199 0.702 20 30 BCEDRO CN([C@H]1CCC[N@H+](C)C1)S(=O)(=O)CCC#N ZINC000408194320 398015914 /nfs/dbraw/zinc/01/59/14/398015914.db2.gz XOOQMVJMNBNHSN-JTQLQIEISA-N 1 0 245.348 0.256 20 30 BCEDRO C[C@@H](C(=O)N[C@@H](C#N)CO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000597746010 398017210 /nfs/dbraw/zinc/01/72/10/398017210.db2.gz GYWZLBIKTYCREC-VLEAKVRGSA-N 1 0 239.319 0.248 20 30 BCEDRO C=CCNC(=O)CN1CC[NH2+][C@@H](C(C)C)C1 ZINC000647931347 398017209 /nfs/dbraw/zinc/01/72/09/398017209.db2.gz HBBGBSIVLSDASZ-LLVKDONJSA-N 1 0 225.336 0.218 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000648122477 398017379 /nfs/dbraw/zinc/01/73/79/398017379.db2.gz YVQGWKZNDLLIOS-VHSXEESVSA-N 1 0 249.318 0.464 20 30 BCEDRO CC[N@H+](CCCO)C[C@H](O)CC(C)(C)C#N ZINC000598595074 398031876 /nfs/dbraw/zinc/03/18/76/398031876.db2.gz MZFJWKGHHNPVDD-LLVKDONJSA-N 1 0 228.336 0.991 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000598594424 398031883 /nfs/dbraw/zinc/03/18/83/398031883.db2.gz HFDDDCNATMYFBL-JQWIXIFHSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@H](CO)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598616825 398032538 /nfs/dbraw/zinc/03/25/38/398032538.db2.gz YVPSYMDAYYHVAN-ZJUUUORDSA-N 1 0 214.309 0.600 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000598616682 398032663 /nfs/dbraw/zinc/03/26/63/398032663.db2.gz DRIIGKWMHQSISC-NNYUYHANSA-N 1 0 238.331 0.457 20 30 BCEDRO C[N@H+](CCCCO)C[C@@H](O)CC(C)(C)C#N ZINC000598616556 398032901 /nfs/dbraw/zinc/03/29/01/398032901.db2.gz QEEJGHLDQOBYIM-NSHDSACASA-N 1 0 228.336 0.991 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)CCOCC(=O)OCC ZINC000491276437 398036211 /nfs/dbraw/zinc/03/62/11/398036211.db2.gz JCLILBUMFQKJRP-JTQLQIEISA-N 1 0 213.277 0.520 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[NH2+]CCOC)C(C)C ZINC000491305275 398037598 /nfs/dbraw/zinc/03/75/98/398037598.db2.gz ICWMIRXFUAHFHD-LLVKDONJSA-N 1 0 241.335 0.179 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)C1CC([NH3+])C1)C(C)C ZINC000491305377 398037678 /nfs/dbraw/zinc/03/76/78/398037678.db2.gz IRWXLXNWXRXKCM-VQXHTEKXSA-N 1 0 223.320 0.775 20 30 BCEDRO C#C[C@H](NC(=O)NCC[NH2+]CCC)C(C)C ZINC000491305985 398037857 /nfs/dbraw/zinc/03/78/57/398037857.db2.gz LHHAUJNVWGAACX-NSHDSACASA-N 1 0 225.336 0.943 20 30 BCEDRO C#C[C@H](NC(=O)N(C)C1CC([NH3+])C1)C(C)C ZINC000491305376 398037940 /nfs/dbraw/zinc/03/79/40/398037940.db2.gz IRWXLXNWXRXKCM-ILDUYXDCSA-N 1 0 223.320 0.775 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(NC(C)=O)nc1 ZINC000278581241 398038935 /nfs/dbraw/zinc/03/89/35/398038935.db2.gz BPJKITKMGIIQEX-UHFFFAOYSA-N 1 0 235.291 0.464 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[C@H]([NH+](C)C)C2)n1 ZINC000231901201 397976252 /nfs/dbraw/zinc/97/62/52/397976252.db2.gz YSDIGSNDQVLSNP-NSHDSACASA-N 1 0 231.303 0.797 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1C=C ZINC000451600948 397978367 /nfs/dbraw/zinc/97/83/67/397978367.db2.gz SRKURWACLCECAJ-AXFHLTTASA-N 1 0 224.304 0.610 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCCO)C1 ZINC000452133987 397985507 /nfs/dbraw/zinc/98/55/07/397985507.db2.gz TWDXWMUQORGODD-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H]1CCC[C@@H]1C#N ZINC000259691098 397987266 /nfs/dbraw/zinc/98/72/66/397987266.db2.gz AVABFTZIASWABI-OUAUKWLOSA-N 1 0 221.304 0.889 20 30 BCEDRO C#C[C@H]1COCCN1CCCSCC#N ZINC000491766102 398065199 /nfs/dbraw/zinc/06/51/99/398065199.db2.gz GJKTVJOXYADUCT-NSHDSACASA-N 1 0 224.329 0.967 20 30 BCEDRO C[C@H](C#N)N(C(=O)[C@@H](C)[NH+](C)C)C1CC1 ZINC000602179525 398067722 /nfs/dbraw/zinc/06/77/22/398067722.db2.gz NTVLZFDRGRNPAW-RKDXNWHRSA-N 1 0 209.293 0.840 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000491793664 398070884 /nfs/dbraw/zinc/07/08/84/398070884.db2.gz MEUIIZYTEVKRJU-VIFPVBQESA-N 1 0 222.248 0.745 20 30 BCEDRO CC#CCNC(=O)NCC([NH3+])(CC)CC ZINC000418434293 398089038 /nfs/dbraw/zinc/08/90/38/398089038.db2.gz FKIBYZLRKQSZHF-UHFFFAOYSA-N 1 0 211.309 0.826 20 30 BCEDRO C#CCN(C(=O)/C=C\C[NH+](C)C)C1CC1 ZINC000491642700 398054502 /nfs/dbraw/zinc/05/45/02/398054502.db2.gz YCDCLBRBFCBWHY-WAYWQWQTSA-N 1 0 206.289 0.728 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NO[C@H](C)C=C ZINC000491656338 398055329 /nfs/dbraw/zinc/05/53/29/398055329.db2.gz SFCCBUWIDCGQNC-LLVKDONJSA-N 1 0 239.319 0.747 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCC[NH2+]CCC ZINC000491667079 398056673 /nfs/dbraw/zinc/05/66/73/398056673.db2.gz XCXONWKJICLIAI-JTQLQIEISA-N 1 0 211.309 0.649 20 30 BCEDRO COCC#CC[NH+]1CCC([C@@H](C)CO)CC1 ZINC000649799832 398108717 /nfs/dbraw/zinc/10/87/17/398108717.db2.gz FKZVBBNRJHCCOJ-LBPRGKRZSA-N 1 0 225.332 0.977 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)COCc1ccco1 ZINC000192227195 398106086 /nfs/dbraw/zinc/10/60/86/398106086.db2.gz JSANXHDETLFKFW-LLVKDONJSA-N 1 0 223.272 0.722 20 30 BCEDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1CC#CCOC ZINC000649809865 398116015 /nfs/dbraw/zinc/11/60/15/398116015.db2.gz LXGVTJHEAXZYRG-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC([C@H](C)CO)CC1 ZINC000649805374 398112581 /nfs/dbraw/zinc/11/25/81/398112581.db2.gz UDSQKQOQNCBFPM-LLVKDONJSA-N 1 0 240.347 0.629 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000231637286 398113834 /nfs/dbraw/zinc/11/38/34/398113834.db2.gz CHVDXTYEVROULF-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO CNC(=O)[C@@H]([NH2+]Cc1ccnc(C#N)c1)C(C)C ZINC000611396147 398133549 /nfs/dbraw/zinc/13/35/49/398133549.db2.gz BNEFSZKJZYDHHM-LBPRGKRZSA-N 1 0 246.314 0.813 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000109809331 322866171 /nfs/dbraw/zinc/86/61/71/322866171.db2.gz NEXAVIIDYZHFCP-NEPJUHHUSA-N 1 0 237.347 0.150 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000685797682 487579276 /nfs/dbraw/zinc/57/92/76/487579276.db2.gz KVJMUMLVMORTKU-WCQYABFASA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000685797680 487579131 /nfs/dbraw/zinc/57/91/31/487579131.db2.gz KVJMUMLVMORTKU-AAEUAGOBSA-N 1 0 240.347 0.866 20 30 BCEDRO C#CCN(C(=O)[C@H]1CCC[N@H+]1C)C1CC1 ZINC000274107783 166154241 /nfs/dbraw/zinc/15/42/41/166154241.db2.gz QFDSQHOCVOBNCX-LLVKDONJSA-N 1 0 206.289 0.705 20 30 BCEDRO C#CCN(C)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000279310958 166157501 /nfs/dbraw/zinc/15/75/01/166157501.db2.gz NHPSRMHYTVXOFG-NSHDSACASA-N 1 0 206.289 0.705 20 30 BCEDRO C#CCCC[N@@H+](CCOC)CC(=O)N(C)C ZINC000271076789 166129042 /nfs/dbraw/zinc/12/90/42/166129042.db2.gz XEUUXQSIXZJBPY-UHFFFAOYSA-N 1 0 226.320 0.436 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278785963 166131431 /nfs/dbraw/zinc/13/14/31/166131431.db2.gz DOMRIMLTVWJNQM-GFCCVEGCSA-N 1 0 206.289 0.612 20 30 BCEDRO C=CC[C@@]1(C(=O)NCCOC)CCC[NH2+]1 ZINC000662428516 409712201 /nfs/dbraw/zinc/71/22/01/409712201.db2.gz CVDHTOMNRHUBJV-NSHDSACASA-N 1 0 212.293 0.447 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@@H](C)CCCO)CCC[NH2+]1 ZINC000662612156 409786652 /nfs/dbraw/zinc/78/66/52/409786652.db2.gz UDYHIOUVIYYLQK-WCQYABFASA-N 1 0 240.347 0.962 20 30 BCEDRO C=CCCS(=O)(=O)N(C)CC[NH2+]C ZINC000308743757 409903829 /nfs/dbraw/zinc/90/38/29/409903829.db2.gz QDGNBOUFHIIJOG-UHFFFAOYSA-N 1 0 206.311 0.044 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[NH2+]C[C@@H]1O ZINC000653138858 409859679 /nfs/dbraw/zinc/85/96/79/409859679.db2.gz MEZNJQOOYCGHHB-AXFHLTTASA-N 1 0 226.320 0.285 20 30 BCEDRO C#CCCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000275381589 166142065 /nfs/dbraw/zinc/14/20/65/166142065.db2.gz BCTYKMKIIZKIJX-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)COc1ccccc1 ZINC000192226776 166159011 /nfs/dbraw/zinc/15/90/11/166159011.db2.gz LNEBLNBLDAWESM-LBPRGKRZSA-N 1 0 219.284 0.991 20 30 BCEDRO C=C1CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)CC1 ZINC000653174161 410147584 /nfs/dbraw/zinc/14/75/84/410147584.db2.gz JPGXBONWUHLRAV-MXWKQRLJSA-N 1 0 206.289 0.915 20 30 BCEDRO C=CCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000665944347 487615235 /nfs/dbraw/zinc/61/52/35/487615235.db2.gz MATMHZSKAUCRDC-NSHDSACASA-N 1 0 229.324 0.174 20 30 BCEDRO C=CC[N@H+](C[C@@H]1COCCO1)[C@H](C)COC ZINC000661238965 410396671 /nfs/dbraw/zinc/39/66/71/410396671.db2.gz AWPPGCIRJQRKME-VXGBXAGGSA-N 1 0 229.320 0.925 20 30 BCEDRO C=CC[N@@H+](CCC(=O)N(C)C)[C@H](C)COC ZINC000661239700 410399186 /nfs/dbraw/zinc/39/91/86/410399186.db2.gz INWWSAHHFJNWNM-LLVKDONJSA-N 1 0 228.336 0.988 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296619800 166159094 /nfs/dbraw/zinc/15/90/94/166159094.db2.gz HBYHTOHJLQYXSK-SNVBAGLBSA-N 1 0 242.319 0.437 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000174021736 166178035 /nfs/dbraw/zinc/17/80/35/166178035.db2.gz BRBHMVVLZBZQSA-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079264204 166178628 /nfs/dbraw/zinc/17/86/28/166178628.db2.gz OOGOKBAVWOYCMF-SNVBAGLBSA-N 1 0 221.304 0.403 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175590546 166179375 /nfs/dbraw/zinc/17/93/75/166179375.db2.gz CUJYSAJDDIYUHN-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C#Cc1cccc(NC(=O)[C@H]2CN(C)CCO2)c1 ZINC000174507727 166222942 /nfs/dbraw/zinc/22/29/42/166222942.db2.gz HVQJDQPDUHQGCO-CYBMUJFWSA-N 1 0 244.294 0.937 20 30 BCEDRO C=CCC[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000276432596 166256892 /nfs/dbraw/zinc/25/68/92/166256892.db2.gz NUXWZASQKWEMKO-UHFFFAOYSA-N 1 0 237.303 0.092 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000178789738 166274426 /nfs/dbraw/zinc/27/44/26/166274426.db2.gz QNPGXEUWUWMYSK-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCC(C)(C)[NH3+] ZINC000160117482 166275107 /nfs/dbraw/zinc/27/51/07/166275107.db2.gz YOZFVSLDMUXWMR-SECBINFHSA-N 1 0 214.309 0.821 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179123010 166275504 /nfs/dbraw/zinc/27/55/04/166275504.db2.gz DNYHPJRPLFFREI-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000275128777 166298238 /nfs/dbraw/zinc/29/82/38/166298238.db2.gz BLTOSZVNAXZSKH-VXGBXAGGSA-N 1 0 239.319 0.370 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000275128775 166303407 /nfs/dbraw/zinc/30/34/07/166303407.db2.gz BLTOSZVNAXZSKH-RYUDHWBXSA-N 1 0 239.319 0.370 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000268597152 166303970 /nfs/dbraw/zinc/30/39/70/166303970.db2.gz WTXKCZMWXQUFKX-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C)[C@H](C)CO ZINC000273971945 166327803 /nfs/dbraw/zinc/32/78/03/166327803.db2.gz HRGSHEJUSVCLNS-VXGBXAGGSA-N 1 0 240.347 0.794 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+](C)C[C@H](C)O ZINC000159503459 166329845 /nfs/dbraw/zinc/32/98/45/166329845.db2.gz UIEQDWFIAUVOKS-RYUDHWBXSA-N 1 0 240.347 0.888 20 30 BCEDRO C=CC[NH+](CC=C)CCCS(N)(=O)=O ZINC000172167262 166336033 /nfs/dbraw/zinc/33/60/33/166336033.db2.gz DLRVYDRCJUJZTD-UHFFFAOYSA-N 1 0 218.322 0.339 20 30 BCEDRO C=CC[N@H+](CCCN1C(=O)CNC1=O)C1CC1 ZINC000271471214 166342010 /nfs/dbraw/zinc/34/20/10/166342010.db2.gz RDVBTTKRTXPNRM-UHFFFAOYSA-N 1 0 237.303 0.579 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H](O)Cn1cccn1 ZINC000189421692 166342219 /nfs/dbraw/zinc/34/22/19/166342219.db2.gz ZVXYFABYURYMGJ-GFCCVEGCSA-N 1 0 239.319 0.378 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@H](O)Cn1cccn1 ZINC000189421671 166342625 /nfs/dbraw/zinc/34/26/25/166342625.db2.gz ZVXYFABYURYMGJ-LBPRGKRZSA-N 1 0 239.319 0.378 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC000171717761 166352813 /nfs/dbraw/zinc/35/28/13/166352813.db2.gz XBROBHYNQSOSMD-UHFFFAOYSA-N 1 0 235.291 0.185 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)OC)CC1 ZINC000171714488 166352866 /nfs/dbraw/zinc/35/28/66/166352866.db2.gz IXVZQMPDCVOZLA-JTQLQIEISA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCCO[C@H](C)C1 ZINC000170773148 166366295 /nfs/dbraw/zinc/36/62/95/166366295.db2.gz SWLBBWNGJZLRHB-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1[C@H](C)CCC[C@@H]1CO ZINC000269699883 166368741 /nfs/dbraw/zinc/36/87/41/166368741.db2.gz LTPZSIWIPOUHJX-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](COC)C1 ZINC000265848503 166368901 /nfs/dbraw/zinc/36/89/01/166368901.db2.gz YBRUJUNUWGAECI-SNVBAGLBSA-N 1 0 212.293 0.257 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000289478698 166370052 /nfs/dbraw/zinc/37/00/52/166370052.db2.gz IOCHGDDGPITBLU-NSHDSACASA-N 1 0 226.320 0.429 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@H](C)C(=O)OCC ZINC000274131136 166370561 /nfs/dbraw/zinc/37/05/61/166370561.db2.gz YIQYUXREAHOCLG-ZJUUUORDSA-N 1 0 242.319 0.466 20 30 BCEDRO C=CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000275600201 166375957 /nfs/dbraw/zinc/37/59/57/166375957.db2.gz KTAHLQBJPHMURE-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268180000 166380321 /nfs/dbraw/zinc/38/03/21/166380321.db2.gz NEMIYFJGUJWZIF-KOLCDFICSA-N 1 0 223.320 0.954 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N(C)CC(=O)NC(C)C ZINC000266033346 166382531 /nfs/dbraw/zinc/38/25/31/166382531.db2.gz WTXMCWTYQQFESV-SNVBAGLBSA-N 1 0 241.335 0.134 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[N@H+](C)CC1 ZINC000267952411 166386175 /nfs/dbraw/zinc/38/61/75/166386175.db2.gz WVMLWZLEAFEWIM-NSHDSACASA-N 1 0 225.336 0.315 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000300422994 166388484 /nfs/dbraw/zinc/38/84/84/166388484.db2.gz NBGPNTFZQXDYKH-DLOVCJGASA-N 1 0 238.331 0.834 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](CC)[C@H](O)C1 ZINC000270957342 166388637 /nfs/dbraw/zinc/38/86/37/166388637.db2.gz ULASWJDKJMECLO-HBNTYKKESA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCNC(=O)c1csc(CC[NH3+])n1 ZINC000085548079 166395542 /nfs/dbraw/zinc/39/55/42/166395542.db2.gz XPUDAPOHENIXET-UHFFFAOYSA-N 1 0 211.290 0.560 20 30 BCEDRO C=CCOCCCC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000237967953 166414558 /nfs/dbraw/zinc/41/45/58/166414558.db2.gz XBBSWYKVLGXJIT-LLVKDONJSA-N 1 0 226.320 0.823 20 30 BCEDRO C[NH+](C)CCn1ccc(NC(=O)CCCC#N)n1 ZINC000360155678 410723840 /nfs/dbraw/zinc/72/38/40/410723840.db2.gz MTRVCAQDYQJKDJ-UHFFFAOYSA-N 1 0 249.318 1.077 20 30 BCEDRO CC(C)OC1CC([NH2+]CCn2cnc(C#N)n2)C1 ZINC000289254416 167176475 /nfs/dbraw/zinc/17/64/75/167176475.db2.gz FIIABGKGZNLKMQ-UHFFFAOYSA-N 1 0 249.318 0.695 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)CCn1ccnc1 ZINC000264748490 167340090 /nfs/dbraw/zinc/34/00/90/167340090.db2.gz KWEUNTJQQFLBCK-SNVBAGLBSA-N 1 0 220.276 0.938 20 30 BCEDRO CC(C)[C@@H](C(=O)N1CC(C)(C#N)C1)[NH+](C)C ZINC000336085268 167342328 /nfs/dbraw/zinc/34/23/28/167342328.db2.gz FIUAGXPTRAMHGV-JTQLQIEISA-N 1 0 223.320 0.945 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000659555740 411163430 /nfs/dbraw/zinc/16/34/30/411163430.db2.gz SRXUIBNMRGUJIT-WDEREUQCSA-N 1 0 241.335 0.616 20 30 BCEDRO C=CCCn1cc(CN2CC[NH2+]CC2)nn1 ZINC000655937176 411159336 /nfs/dbraw/zinc/15/93/36/411159336.db2.gz VJTRFRZWDLVROH-UHFFFAOYSA-N 1 0 221.308 0.259 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCCC[C@H]1CO ZINC000124789464 411160771 /nfs/dbraw/zinc/16/07/71/411160771.db2.gz FSUVZMVNINHZAW-NSHDSACASA-N 1 0 226.320 0.526 20 30 BCEDRO C[C@H](CCNc1cc(C#N)ncn1)[NH+](C)C ZINC000596430218 411181713 /nfs/dbraw/zinc/18/17/13/411181713.db2.gz KFQINCFEEYUNCT-SECBINFHSA-N 1 0 219.292 1.100 20 30 BCEDRO C=CCCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000070800436 411183693 /nfs/dbraw/zinc/18/36/93/411183693.db2.gz NXSDFPIRGHWYCU-UHFFFAOYSA-N 1 0 225.336 0.316 20 30 BCEDRO C[C@@H](C#N)C(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000347100282 411188982 /nfs/dbraw/zinc/18/89/82/411188982.db2.gz FYXUGUATYXLRFF-VIFPVBQESA-N 1 0 241.254 1.365 20 30 BCEDRO CN(CC1(C#N)CC1)C1CC[NH+](CCO)CC1 ZINC000343316989 411190221 /nfs/dbraw/zinc/19/02/21/411190221.db2.gz UIYMKZZBXJFMHU-UHFFFAOYSA-N 1 0 237.347 0.679 20 30 BCEDRO C=C(C)CCNC(=O)N(C)CCOCC[NH3+] ZINC000627050593 411205522 /nfs/dbraw/zinc/20/55/22/411205522.db2.gz NSIQYSTXCSPIJB-UHFFFAOYSA-N 1 0 229.324 0.569 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)Cn1cncn1 ZINC000658032673 411210138 /nfs/dbraw/zinc/21/01/38/411210138.db2.gz VZGWQPNOXBOIIM-QWRGUYRKSA-N 1 0 224.308 0.583 20 30 BCEDRO C=CCCCC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000310329202 411233532 /nfs/dbraw/zinc/23/35/32/411233532.db2.gz ZSDIOLREAKVDQI-ZDUSSCGKSA-N 1 0 242.363 0.625 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H](C)C[NH2+]C ZINC000659638582 411274144 /nfs/dbraw/zinc/27/41/44/411274144.db2.gz HKZMDVHFQHRYBG-JTQLQIEISA-N 1 0 229.324 0.438 20 30 BCEDRO C[NH+](C)C1(CNC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000416305750 411274712 /nfs/dbraw/zinc/27/47/12/411274712.db2.gz XWNZABWZZFVPAZ-UHFFFAOYSA-N 1 0 232.287 0.710 20 30 BCEDRO C=C(CC)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000656452658 411274926 /nfs/dbraw/zinc/27/49/26/411274926.db2.gz MMMOWGRZVPUQEY-UHFFFAOYSA-N 1 0 249.362 0.992 20 30 BCEDRO Cc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)n[nH]1 ZINC000565830646 411295314 /nfs/dbraw/zinc/29/53/14/411295314.db2.gz JNPIRJYNVDQMNC-QMMMGPOBSA-N 1 0 221.264 0.678 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000602532229 411295645 /nfs/dbraw/zinc/29/56/45/411295645.db2.gz DYNFFMPSJTUWSK-VXGBXAGGSA-N 1 0 237.303 0.127 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000653445023 411257163 /nfs/dbraw/zinc/25/71/63/411257163.db2.gz FZCPGVLUIRSQTK-MNOVXSKESA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]([NH3+])C[C@@H]1C ZINC000653445024 411257202 /nfs/dbraw/zinc/25/72/02/411257202.db2.gz FZCPGVLUIRSQTK-QWRGUYRKSA-N 1 0 226.320 0.917 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCc1ccccc1C ZINC000662167950 411372806 /nfs/dbraw/zinc/37/28/06/411372806.db2.gz USIPBWCYPMETML-CYBMUJFWSA-N 1 0 248.326 0.748 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000658954885 411363880 /nfs/dbraw/zinc/36/38/80/411363880.db2.gz YAUPWIBKLVKRSK-JTQLQIEISA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H](C)[C@@H]([NH3+])C1 ZINC000658971289 411364531 /nfs/dbraw/zinc/36/45/31/411364531.db2.gz PHBRRSQKWHQBFK-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@@H](CO)COC(C)C ZINC000339127616 411374025 /nfs/dbraw/zinc/37/40/25/411374025.db2.gz VWGNUANAYIDLLW-LBPRGKRZSA-N 1 0 231.336 0.907 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NCC(F)(F)F ZINC000662166252 411370251 /nfs/dbraw/zinc/37/02/51/411370251.db2.gz XJYPIPGNQYEWFX-RNFRBKRXSA-N 1 0 240.225 0.190 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](C=C)CO ZINC000662167451 411370473 /nfs/dbraw/zinc/37/04/73/411370473.db2.gz FVWAGNVIZCSTHU-LLVKDONJSA-N 1 0 224.304 0.324 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1[C@@H](C)CCC[C@@H]1C ZINC000662167358 411370498 /nfs/dbraw/zinc/37/04/98/411370498.db2.gz AXNNZJLUBCHBPT-SDDRHHMPSA-N 1 0 240.347 0.912 20 30 BCEDRO C=CCOCCC[NH2+]C[C@@H](O)COC ZINC000656709692 411336118 /nfs/dbraw/zinc/33/61/18/411336118.db2.gz QZBABXGGJOAHOY-SNVBAGLBSA-N 1 0 203.282 0.176 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)Cc1cnccn1 ZINC000658334681 411343207 /nfs/dbraw/zinc/34/32/07/411343207.db2.gz RTCNURFLFNHYTD-NXEZZACHSA-N 1 0 207.277 0.544 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)Cc1cnccn1 ZINC000658334682 411343618 /nfs/dbraw/zinc/34/36/18/411343618.db2.gz RTCNURFLFNHYTD-VHSXEESVSA-N 1 0 207.277 0.544 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCN(c2cnccn2)CC1 ZINC000658335237 411343814 /nfs/dbraw/zinc/34/38/14/411343814.db2.gz OMIFBGWRQJZGHH-LLVKDONJSA-N 1 0 248.330 0.582 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H](C)[C@H]1CC[NH3+] ZINC000404313310 411390682 /nfs/dbraw/zinc/39/06/82/411390682.db2.gz XZQGAAHGXCXFFE-NWDGAFQWSA-N 1 0 239.363 0.738 20 30 BCEDRO C#CC[N@@H+](CC[C@H]1CCNC1=O)C1CC1 ZINC000491452225 411393863 /nfs/dbraw/zinc/39/38/63/411393863.db2.gz JSMQVXJKVRZGDE-SNVBAGLBSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CCCn1cc(CN2C[C@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000653501647 411414178 /nfs/dbraw/zinc/41/41/78/411414178.db2.gz DKELHJPKCNMIRN-TXEJJXNPSA-N 1 0 247.346 0.505 20 30 BCEDRO C=CCN(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000660329233 411417029 /nfs/dbraw/zinc/41/70/29/411417029.db2.gz VGHFDJVPABTBNO-NSHDSACASA-N 1 0 200.326 0.805 20 30 BCEDRO C=CCN(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000660329232 411417067 /nfs/dbraw/zinc/41/70/67/411417067.db2.gz VGHFDJVPABTBNO-LLVKDONJSA-N 1 0 200.326 0.805 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659480667 411418907 /nfs/dbraw/zinc/41/89/07/411418907.db2.gz RGHDGBBXJLQNNQ-VIFPVBQESA-N 1 0 215.297 0.096 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659482660 411420389 /nfs/dbraw/zinc/42/03/89/411420389.db2.gz PQAIFIYNKFIRDF-NXEZZACHSA-N 1 0 227.283 0.481 20 30 BCEDRO C=CCN(C(=O)NCCC[NH3+])[C@H](C)COC ZINC000659511692 411425190 /nfs/dbraw/zinc/42/51/90/411425190.db2.gz JYXPYXFVLALFQQ-SNVBAGLBSA-N 1 0 229.324 0.568 20 30 BCEDRO C=CCCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000659512942 411425271 /nfs/dbraw/zinc/42/52/71/411425271.db2.gz FGNAVAVKXJBDLT-SNVBAGLBSA-N 1 0 211.309 0.861 20 30 BCEDRO C=CCN(C(=O)N[C@H](C)C[NH3+])[C@H](C)COC ZINC000659531650 411430189 /nfs/dbraw/zinc/43/01/89/411430189.db2.gz ZWGCFQBZKCWBAV-NXEZZACHSA-N 1 0 229.324 0.566 20 30 BCEDRO C=CCN(C(=O)NC[C@H](C)[NH3+])[C@@H](C)COC ZINC000659538797 411431620 /nfs/dbraw/zinc/43/16/20/411431620.db2.gz PMXLVSYPKIMITM-UWVGGRQHSA-N 1 0 229.324 0.566 20 30 BCEDRO C=CCCNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000659550406 411434875 /nfs/dbraw/zinc/43/48/75/411434875.db2.gz QTVDJOMWSPMEFP-SNVBAGLBSA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCCNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000659554027 411435430 /nfs/dbraw/zinc/43/54/30/411435430.db2.gz KPDLPUQMKJFAGX-ZJUUUORDSA-N 1 0 211.309 0.989 20 30 BCEDRO C=CCCNC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000659561280 411436094 /nfs/dbraw/zinc/43/60/94/411436094.db2.gz ITFZORBFYKBKTJ-JTQLQIEISA-N 1 0 227.308 0.322 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000659563558 411436843 /nfs/dbraw/zinc/43/68/43/411436843.db2.gz XBMCZIGRJWXZGK-VHSXEESVSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCC1([NH3+])CCCC1 ZINC000659573173 411438575 /nfs/dbraw/zinc/43/85/75/411438575.db2.gz LXTRXQVLTKOXEE-SNVBAGLBSA-N 1 0 241.335 0.494 20 30 BCEDRO C=C(C)CN(C)C[C@@H](O)C[N@@H+](C)CC ZINC000653609259 411439214 /nfs/dbraw/zinc/43/92/14/411439214.db2.gz DTXKUBUMKQWTLP-NSHDSACASA-N 1 0 200.326 0.807 20 30 BCEDRO C=C(C)C[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000647932730 411441082 /nfs/dbraw/zinc/44/10/82/411441082.db2.gz NXXYHXSXRVCVQO-UHFFFAOYSA-N 1 0 221.308 1.142 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000659610068 411441188 /nfs/dbraw/zinc/44/11/88/411441188.db2.gz JZKYKEVXTHJMJC-MNOVXSKESA-N 1 0 241.335 0.568 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659619071 411442587 /nfs/dbraw/zinc/44/25/87/411442587.db2.gz HEERGDQCVZLYLH-GHMZBOCLSA-N 1 0 243.351 0.596 20 30 BCEDRO C=CCCNC(=O)NCC1CC[NH2+]CC1 ZINC000659507478 411463679 /nfs/dbraw/zinc/46/36/79/411463679.db2.gz IZJSMYMAZHESMJ-UHFFFAOYSA-N 1 0 211.309 0.861 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)N[C@H](C)C[NH2+]C ZINC000659638108 411445338 /nfs/dbraw/zinc/44/53/38/411445338.db2.gz REQRPYUSBGYIQM-NXEZZACHSA-N 1 0 229.324 0.078 20 30 BCEDRO C=CCN(C(=O)NC[C@H](C)C[NH3+])[C@@H](C)COC ZINC000659525400 411483254 /nfs/dbraw/zinc/48/32/54/411483254.db2.gz FUTDQYKPNCVOIC-MNOVXSKESA-N 1 0 243.351 0.814 20 30 BCEDRO C=CCOCCCNC(=O)N[C@H](C)C[NH3+] ZINC000659530714 411490362 /nfs/dbraw/zinc/49/03/62/411490362.db2.gz KWXZUNVOFSCPAV-SECBINFHSA-N 1 0 215.297 0.226 20 30 BCEDRO C=CCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000659536559 411502541 /nfs/dbraw/zinc/50/25/41/411502541.db2.gz NWORDJJDGNTOMS-UWVGGRQHSA-N 1 0 211.309 0.860 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000657429568 411506822 /nfs/dbraw/zinc/50/68/22/411506822.db2.gz RQBANSXSKLPTKR-UWVGGRQHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cnc2n1CCC2 ZINC000657434772 411507517 /nfs/dbraw/zinc/50/75/17/411507517.db2.gz HNUCEVGZIVBJQS-JTQLQIEISA-N 1 0 221.304 0.856 20 30 BCEDRO C=CCN(C(=O)NC/C=C\C[NH3+])[C@H](C)COC ZINC000659544668 411513073 /nfs/dbraw/zinc/51/30/73/411513073.db2.gz VWAGDHBHJRSEGL-ISALQUGTSA-N 1 0 241.335 0.734 20 30 BCEDRO C=CCN(C(=O)NC[C@@H]([NH3+])CC)[C@H](C)COC ZINC000659547132 411515767 /nfs/dbraw/zinc/51/57/67/411515767.db2.gz BDQHBGREBZGKPN-MNOVXSKESA-N 1 0 243.351 0.956 20 30 BCEDRO CCNC(=O)[C@@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232314090 170087623 /nfs/dbraw/zinc/08/76/23/170087623.db2.gz MPEDNSCKWLKSQP-SECBINFHSA-N 1 0 234.303 0.511 20 30 BCEDRO CCOCCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000053733157 170360565 /nfs/dbraw/zinc/36/05/65/170360565.db2.gz JPKTWBLRTOCXMU-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO CCOCC[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370118452 170397600 /nfs/dbraw/zinc/39/76/00/170397600.db2.gz AZHGIAXWFSIQQV-UHFFFAOYSA-N 1 0 249.318 0.823 20 30 BCEDRO C=CCCn1cc(CNCCOCCF)nn1 ZINC000663338879 411629237 /nfs/dbraw/zinc/62/92/37/411629237.db2.gz OXAMCWJCPFTAHP-UHFFFAOYSA-N 1 0 242.298 0.930 20 30 BCEDRO CC[N@@H+]1CCC[C@H](CNc2cc(C#N)cnn2)C1 ZINC000596097525 411630907 /nfs/dbraw/zinc/63/09/07/411630907.db2.gz YRLBHFMOTFSAKI-LLVKDONJSA-N 1 0 245.330 1.492 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)Nc1cnccn1 ZINC000660400366 411579671 /nfs/dbraw/zinc/57/96/71/411579671.db2.gz MMXIWPPFHVRSFY-UHFFFAOYSA-N 1 0 220.276 0.923 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cncc(OC)c1 ZINC000657793187 411598956 /nfs/dbraw/zinc/59/89/56/411598956.db2.gz GRVSPSLNRLBNPU-SNVBAGLBSA-N 1 0 208.261 0.727 20 30 BCEDRO CC#CCN(C)C[C@@H](O)C[N@H+](C)C(C)C ZINC000660646289 411611993 /nfs/dbraw/zinc/61/19/93/411611993.db2.gz HTOLOJQKUBMBGO-GFCCVEGCSA-N 1 0 212.337 0.643 20 30 BCEDRO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@@H](C)[NH3+] ZINC000593916711 411662253 /nfs/dbraw/zinc/66/22/53/411662253.db2.gz PJHJNWDPURVNLC-SSDOTTSWSA-N 1 0 243.270 1.029 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000660965114 411688675 /nfs/dbraw/zinc/68/86/75/411688675.db2.gz ZTICUFVEQFSXBS-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C=CCCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000661234622 411738823 /nfs/dbraw/zinc/73/88/23/411738823.db2.gz IDPUFPVUHIKWAH-UHFFFAOYSA-N 1 0 241.335 0.584 20 30 BCEDRO C=CC[N@@H+](CCN1CCNC1=O)[C@@H](C)COC ZINC000661240600 411740989 /nfs/dbraw/zinc/74/09/89/411740989.db2.gz OXKHNVJGEUWSFF-NSHDSACASA-N 1 0 241.335 0.535 20 30 BCEDRO C=CC[N@@H+](C[C@@H](O)COCC)[C@@H](C)COC ZINC000661242594 411742624 /nfs/dbraw/zinc/74/26/24/411742624.db2.gz CUHRQPQVZPZISA-NWDGAFQWSA-N 1 0 231.336 0.907 20 30 BCEDRO CCc1[nH]nc(NC(=O)[C@@H]([NH3+])CCCC#N)c1C ZINC000566179828 411757366 /nfs/dbraw/zinc/75/73/66/411757366.db2.gz YBNXWCBUVMZTMI-VIFPVBQESA-N 1 0 249.318 1.240 20 30 BCEDRO C=CC[C@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000661381292 411764509 /nfs/dbraw/zinc/76/45/09/411764509.db2.gz ZHQHHMPAXCNKHG-NSHDSACASA-N 1 0 246.376 0.824 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000661392925 411767802 /nfs/dbraw/zinc/76/78/02/411767802.db2.gz JBKILPCWVNORRF-LBPRGKRZSA-N 1 0 227.304 0.110 20 30 BCEDRO CCc1nc(C#N)cc(NC[C@@](C)([NH3+])COC)n1 ZINC000596128192 411782309 /nfs/dbraw/zinc/78/23/09/411782309.db2.gz JFLCSFHEVLLNPS-GFCCVEGCSA-N 1 0 249.318 0.686 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000661595514 411810898 /nfs/dbraw/zinc/81/08/98/411810898.db2.gz CFZTUADJRHXKQT-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CCC(O)(CO)CC1 ZINC000661617635 411818358 /nfs/dbraw/zinc/81/83/58/411818358.db2.gz AZZNCKFEHHFERQ-LLVKDONJSA-N 1 0 229.320 0.133 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661627909 411824987 /nfs/dbraw/zinc/82/49/87/411824987.db2.gz RXVJFXAYAYRHIA-ZDUSSCGKSA-N 1 0 223.316 0.873 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661701574 411847849 /nfs/dbraw/zinc/84/78/49/411847849.db2.gz QZEGDZIEORWDQZ-NEPJUHHUSA-N 1 0 209.289 0.605 20 30 BCEDRO C=CCOCC[N@@H+]1CCC(=O)N(C)CC1 ZINC000661805578 411888236 /nfs/dbraw/zinc/88/82/36/411888236.db2.gz MPRZWNWYLVKURX-UHFFFAOYSA-N 1 0 212.293 0.353 20 30 BCEDRO C=CCCNc1ncnc2c1OCCN2 ZINC000664226809 411889895 /nfs/dbraw/zinc/88/98/95/411889895.db2.gz RUAGJTXJRDSSMP-UHFFFAOYSA-N 1 0 206.249 0.381 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000661839222 411899600 /nfs/dbraw/zinc/89/96/00/411899600.db2.gz OYLMUGUAKWISPX-AXFHLTTASA-N 1 0 238.331 0.570 20 30 BCEDRO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@H](OC)CS2(=O)=O ZINC000661883970 411913929 /nfs/dbraw/zinc/91/39/29/411913929.db2.gz KEFZCFVQOYXSBF-AXFHLTTASA-N 1 0 245.344 0.306 20 30 BCEDRO C=CC[N@@H+](Cc1nc(=O)n(C)[nH]1)C(C)(C)C ZINC000661759740 411871729 /nfs/dbraw/zinc/87/17/29/411871729.db2.gz JUWOFLYPCOIMLQ-UHFFFAOYSA-N 1 0 224.308 0.895 20 30 BCEDRO N#CCCCC[N@H+]1CCc2cnc(N)nc2C1 ZINC000598951210 411966127 /nfs/dbraw/zinc/96/61/27/411966127.db2.gz YPQNTXOVUKYMKM-UHFFFAOYSA-N 1 0 231.303 1.111 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCNS(C)(=O)=O ZINC000662084692 411981371 /nfs/dbraw/zinc/98/13/71/411981371.db2.gz VDPSSMOOIMVEBO-PHIMTYICSA-N 1 0 244.360 0.719 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000662143256 411988725 /nfs/dbraw/zinc/98/87/25/411988725.db2.gz LJNNPZKOFQCIGP-VXGBXAGGSA-N 1 0 211.305 0.587 20 30 BCEDRO C=CCOCCNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000664621354 412000462 /nfs/dbraw/zinc/00/04/62/412000462.db2.gz OCDAQYLALWEAKP-LLVKDONJSA-N 1 0 243.351 0.828 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@@H](C)C(C)C ZINC000662163483 412014418 /nfs/dbraw/zinc/01/44/18/412014418.db2.gz CNLZXTCRLBYSCK-VHSXEESVSA-N 1 0 214.309 0.284 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N(CC)CC(=C)C ZINC000662166153 412014544 /nfs/dbraw/zinc/01/45/44/412014544.db2.gz SWBGAVHOFOUWNO-VXGBXAGGSA-N 1 0 240.347 0.936 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCOCC(F)(F)F ZINC000662165507 412014813 /nfs/dbraw/zinc/01/48/13/412014813.db2.gz IAFYNKWAOCDZRF-SSDOTTSWSA-N 1 0 213.199 0.702 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCc1cnn(C)c1 ZINC000662165698 412014821 /nfs/dbraw/zinc/01/48/21/412014821.db2.gz MUPYESPZUWFHPU-LLVKDONJSA-N 1 0 209.293 0.489 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NC1CCCCCC1 ZINC000662167435 412015501 /nfs/dbraw/zinc/01/55/01/412015501.db2.gz FGSFUGIOXYVVCT-LLVKDONJSA-N 1 0 240.347 0.962 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCCN(C(C)C)C1=O ZINC000662166815 412015833 /nfs/dbraw/zinc/01/58/33/412015833.db2.gz HSMSDOQOFFMSNN-MNOVXSKESA-N 1 0 226.320 0.522 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662030617 411948313 /nfs/dbraw/zinc/94/83/13/411948313.db2.gz ANNINFJNFZXNND-SRVKXCTJSA-N 1 0 211.305 0.892 20 30 BCEDRO C=CCOCCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000664896841 412040075 /nfs/dbraw/zinc/04/00/75/412040075.db2.gz OBZOQSKXRGDLSY-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO C#CCN(C)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000491363274 412042420 /nfs/dbraw/zinc/04/24/20/412042420.db2.gz YSASONYNZUNCMZ-UHFFFAOYSA-N 1 0 249.318 0.542 20 30 BCEDRO C#CC[N@H+](C)CCCNc1nccc(CO)n1 ZINC000491069605 412043313 /nfs/dbraw/zinc/04/33/13/412043313.db2.gz XEFCOSFAAXCFGP-UHFFFAOYSA-N 1 0 234.303 0.336 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044828221 171218625 /nfs/dbraw/zinc/21/86/25/171218625.db2.gz DFSYJRZFMCCFOT-NXEZZACHSA-N 1 0 221.304 0.889 20 30 BCEDRO C=CCN1CC[C@@H](N(C)CC(C)(C)[NH3+])C1=O ZINC000662292863 412082313 /nfs/dbraw/zinc/08/23/13/412082313.db2.gz BDTHHJFOAVXMCJ-SNVBAGLBSA-N 1 0 225.336 0.442 20 30 BCEDRO C[NH+](C)[C@@H](CNc1ccc(C#N)c(N)n1)C1CC1 ZINC000563898456 412192734 /nfs/dbraw/zinc/19/27/34/412192734.db2.gz KSLMCKLAPMEBJH-NSHDSACASA-N 1 0 245.330 1.288 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000662520456 412203047 /nfs/dbraw/zinc/20/30/47/412203047.db2.gz AFGJVOUJISEAKY-YFKTTZPYSA-N 1 0 238.331 0.821 20 30 BCEDRO C=CCOCCC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000665263793 412207763 /nfs/dbraw/zinc/20/77/63/412207763.db2.gz UVIFZIATKOCKOH-QWHCGFSZSA-N 1 0 242.363 0.936 20 30 BCEDRO C[N@H+](CCNc1ccc(C#N)c(N)n1)C1CC1 ZINC000571224561 412212266 /nfs/dbraw/zinc/21/22/66/412212266.db2.gz BVOPJBQVQWELBB-UHFFFAOYSA-N 1 0 231.303 1.042 20 30 BCEDRO N#Cc1cc(NC[C@H]2CCC[C@@H]([NH3+])C2)ncn1 ZINC000591441620 412254605 /nfs/dbraw/zinc/25/46/05/412254605.db2.gz JCJHFDZXFIALIE-VHSXEESVSA-N 1 0 231.303 1.278 20 30 BCEDRO C=CCOCCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000662662682 412261899 /nfs/dbraw/zinc/26/18/99/412261899.db2.gz BYKWWWQMNQTGHI-NSHDSACASA-N 1 0 226.320 0.695 20 30 BCEDRO C=CCOCCCNC(=O)CCC[NH3+] ZINC000662664964 412263898 /nfs/dbraw/zinc/26/38/98/412263898.db2.gz YKSDFUAMOTUGBP-UHFFFAOYSA-N 1 0 200.282 0.434 20 30 BCEDRO N#Cc1ccc(N[C@@H]2CC[N@@H+](C3CC3)C2)nc1N ZINC000596092978 412274003 /nfs/dbraw/zinc/27/40/03/412274003.db2.gz YQAJNXJARNGIOL-SNVBAGLBSA-N 1 0 243.314 1.184 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](CC)[NH2+]C ZINC000662711830 412279922 /nfs/dbraw/zinc/27/99/22/412279922.db2.gz PFEFLFJSTXDGJJ-SECBINFHSA-N 1 0 200.282 0.303 20 30 BCEDRO Cc1[nH]nc(NC(=O)[C@@H](C)N(C)C)c1C#N ZINC000602187820 412281532 /nfs/dbraw/zinc/28/15/32/412281532.db2.gz GUMCHACABCSCEF-SSDOTTSWSA-N 1 0 221.264 0.478 20 30 BCEDRO C=CCCOCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662720720 412283772 /nfs/dbraw/zinc/28/37/72/412283772.db2.gz JPKSVNCEUFASKT-UHFFFAOYSA-N 1 0 224.304 0.447 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC(C)(C)C ZINC000556882300 322930030 /nfs/dbraw/zinc/93/00/30/322930030.db2.gz ZRHBXZVMYKLYBK-LLVKDONJSA-N 1 0 227.352 0.828 20 30 BCEDRO C=CC[C@]1(C(=O)N(C)CC[C@@H](C)O)CCC[NH2+]1 ZINC000662611541 412240680 /nfs/dbraw/zinc/24/06/80/412240680.db2.gz AKIZIZRUGRSSIQ-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@H](Nc1cc(C#N)cnn1)C1=CC[N@H+](C)CC1 ZINC000596186466 412241308 /nfs/dbraw/zinc/24/13/08/412241308.db2.gz KRLHXRHRSSNKGK-JTQLQIEISA-N 1 0 243.314 1.411 20 30 BCEDRO C=CCCNC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662626063 412245682 /nfs/dbraw/zinc/24/56/82/412245682.db2.gz GDMKGKZTRZKRAO-SECBINFHSA-N 1 0 234.303 0.793 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000594468493 412251192 /nfs/dbraw/zinc/25/11/92/412251192.db2.gz NECASCCHDKSQOK-JOYOIKCWSA-N 1 0 245.286 0.610 20 30 BCEDRO C=CCN(C(=O)[C@H]([NH3+])CC)[C@@H](C)COC ZINC000662853002 412322831 /nfs/dbraw/zinc/32/28/31/412322831.db2.gz BMZWLWLXMPUQDG-VHSXEESVSA-N 1 0 214.309 0.773 20 30 BCEDRO C=CCCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000662853278 412323252 /nfs/dbraw/zinc/32/32/52/412323252.db2.gz FSISALVYAXRIKO-UHFFFAOYSA-N 1 0 248.330 0.654 20 30 BCEDRO C=CCN(C(=O)C[C@H](C[NH3+])OC)[C@@H](C)COC ZINC000662855882 412325119 /nfs/dbraw/zinc/32/51/19/412325119.db2.gz WKTFFIIZXIKLNH-WDEREUQCSA-N 1 0 244.335 0.400 20 30 BCEDRO C=CC[C@@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662858180 412326790 /nfs/dbraw/zinc/32/67/90/412326790.db2.gz VTMOMRDFNCFBMM-SNVBAGLBSA-N 1 0 224.304 0.135 20 30 BCEDRO C=CCn1cc(C(=O)NCC2([NH3+])CCCC2)nn1 ZINC000662863890 412329521 /nfs/dbraw/zinc/32/95/21/412329521.db2.gz ZJASBZVCDCWZHB-UHFFFAOYSA-N 1 0 249.318 0.465 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000662872150 412330765 /nfs/dbraw/zinc/33/07/65/412330765.db2.gz BVNHKNRILZKXBK-MNOVXSKESA-N 1 0 242.319 0.059 20 30 BCEDRO C=CCC1(NC(=O)CC[NH2+]C)CCOCC1 ZINC000662872459 412330927 /nfs/dbraw/zinc/33/09/27/412330927.db2.gz BRBBGCSVEKNTFI-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662872148 412331011 /nfs/dbraw/zinc/33/10/11/412331011.db2.gz BVNHKNRILZKXBK-GHMZBOCLSA-N 1 0 242.319 0.059 20 30 BCEDRO C=CCC1(NC(=O)[C@@H]2C[NH2+]CCO2)CCCC1 ZINC000662889046 412336400 /nfs/dbraw/zinc/33/64/00/412336400.db2.gz QTOREXDNDJOCCG-NSHDSACASA-N 1 0 238.331 0.980 20 30 BCEDRO CCCC[N@H+](C)CCNc1cc(C#N)cnn1 ZINC000596123592 412341216 /nfs/dbraw/zinc/34/12/16/412341216.db2.gz PWSXYGDYGUIPEX-UHFFFAOYSA-N 1 0 233.319 1.492 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000662922025 412345952 /nfs/dbraw/zinc/34/59/52/412345952.db2.gz QPMQQDYJDANDSI-BBBLOLIVSA-N 1 0 210.277 0.056 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000665529562 412348080 /nfs/dbraw/zinc/34/80/80/412348080.db2.gz OKMNLFKMSXRJGG-GFCCVEGCSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000665529698 412348828 /nfs/dbraw/zinc/34/88/28/412348828.db2.gz RFTHVOBKPDTVRL-CMPLNLGQSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCOCCCC(=O)N[C@H](C)C[NH2+]C ZINC000662963679 412356650 /nfs/dbraw/zinc/35/66/50/412356650.db2.gz RSONZLADXFKDMR-SNVBAGLBSA-N 1 0 214.309 0.693 20 30 BCEDRO Cc1cc(C#N)nc(NCC2([NH+](C)C)CC2)n1 ZINC000397798030 412301611 /nfs/dbraw/zinc/30/16/11/412301611.db2.gz AZZKLSQWUKRPHJ-UHFFFAOYSA-N 1 0 231.303 1.163 20 30 BCEDRO Cc1cc(C#N)nc(NCC[NH2+]C(C)(C)C)n1 ZINC000342114630 412302199 /nfs/dbraw/zinc/30/21/99/412302199.db2.gz MKOVGESUTJQGHN-UHFFFAOYSA-N 1 0 233.319 1.457 20 30 BCEDRO Cc1cc(C#N)nc(NC[C@H]2CSCC[NH2+]2)n1 ZINC000603420356 412303126 /nfs/dbraw/zinc/30/31/26/412303126.db2.gz SRCVADWLWVEIIA-JTQLQIEISA-N 1 0 249.343 0.774 20 30 BCEDRO CN(C(=[NH2+])NCCN1CC=CCC1)C1CC1 ZINC000279950237 172292570 /nfs/dbraw/zinc/29/25/70/172292570.db2.gz HTXNAHVZKOGWFX-UHFFFAOYSA-N 1 0 222.336 0.657 20 30 BCEDRO CN(C)C(=[NH+]Cc1cc(C(N)=O)co1)N(C)C ZINC000186876617 172353589 /nfs/dbraw/zinc/35/35/89/172353589.db2.gz OBUQDBHPRLBALT-UHFFFAOYSA-N 1 0 238.291 0.358 20 30 BCEDRO CN(C)C(=[NH+]CCC1(O)CCOCC1)N(C)C ZINC000262669153 172353922 /nfs/dbraw/zinc/35/39/22/172353922.db2.gz QDVPIRLYKDDHOQ-UHFFFAOYSA-N 1 0 243.351 0.397 20 30 BCEDRO CN(C)C(=O)NCC[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000407993112 172378638 /nfs/dbraw/zinc/37/86/38/172378638.db2.gz LJLRFGMAGZAPHR-QWRGUYRKSA-N 1 0 238.335 0.882 20 30 BCEDRO C[NH+](C)CCCNc1ccc(C#N)nn1 ZINC000301950955 172443562 /nfs/dbraw/zinc/44/35/62/172443562.db2.gz ZRVBPLBSQDMHHS-UHFFFAOYSA-N 1 0 205.265 0.712 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1nccnc1C#N ZINC000132952769 172498078 /nfs/dbraw/zinc/49/80/78/172498078.db2.gz YLKPIUHZMVSUHU-LLVKDONJSA-N 1 0 235.291 0.073 20 30 BCEDRO CN(c1cnc(C#N)cn1)[C@H]1CCC[N@H+](C)C1 ZINC000071179033 173044901 /nfs/dbraw/zinc/04/49/01/173044901.db2.gz CWGYFLVDHHSRCH-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNCc1ccc(C#N)o1 ZINC000229301920 173075117 /nfs/dbraw/zinc/07/51/17/173075117.db2.gz PTKYKLCFOUCMBX-NSHDSACASA-N 1 0 248.330 0.487 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNc1cccnc1C#N ZINC000130023094 173076017 /nfs/dbraw/zinc/07/60/17/173076017.db2.gz PHIYGLUYRAXKCR-LLVKDONJSA-N 1 0 245.330 0.611 20 30 BCEDRO C[NH+]1CCN(CCNc2cc(C#N)ccn2)CC1 ZINC000037760127 173083063 /nfs/dbraw/zinc/08/30/63/173083063.db2.gz NTIDXILVSBYJNX-UHFFFAOYSA-N 1 0 245.330 0.613 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)o2)C1 ZINC000335072336 173144428 /nfs/dbraw/zinc/14/44/28/173144428.db2.gz XCSFIVLTXJSKGL-SECBINFHSA-N 1 0 233.271 0.833 20 30 BCEDRO CNC(=O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000037207810 173277223 /nfs/dbraw/zinc/27/72/23/173277223.db2.gz NLNIMOFUMPQHIG-UHFFFAOYSA-N 1 0 203.245 0.394 20 30 BCEDRO C[NH2+]CCNC(=O)Nc1ccc(C#N)cc1 ZINC000054244448 173354997 /nfs/dbraw/zinc/35/49/97/173354997.db2.gz RZFNWKHJZSAJBR-UHFFFAOYSA-N 1 0 218.260 0.899 20 30 BCEDRO C[NH2+]CCNC(=O)c1cccc(C#N)c1 ZINC000054244173 173356049 /nfs/dbraw/zinc/35/60/49/173356049.db2.gz IEWSAKUFFCPSAY-UHFFFAOYSA-N 1 0 203.245 0.507 20 30 BCEDRO COCC1(O)CN(Cc2cccc(C#N)c2)C1 ZINC000297425025 174113379 /nfs/dbraw/zinc/11/33/79/174113379.db2.gz NXBYBURPVSOWEA-UHFFFAOYSA-N 1 0 232.283 0.751 20 30 BCEDRO COCC[N@H+](C)CCCNC(=O)CCCC#N ZINC000359983944 174274641 /nfs/dbraw/zinc/27/46/41/174274641.db2.gz JZJDLGDOVGWEAL-UHFFFAOYSA-N 1 0 241.335 0.765 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NC(=O)c1ccc(C#N)[nH]1 ZINC000269893214 175670097 /nfs/dbraw/zinc/67/00/97/175670097.db2.gz RRRMNEOCRPNSEH-VIFPVBQESA-N 1 0 234.303 0.956 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cnc(C#N)cn1 ZINC000408053581 176319547 /nfs/dbraw/zinc/31/95/47/176319547.db2.gz HQGDWNKUYXYSJI-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@@H]1C[C@@H]1C[NH2+]CCn1cnc(C#N)n1 ZINC000309089663 176397105 /nfs/dbraw/zinc/39/71/05/176397105.db2.gz APUDBDSYBZFVBG-RKDXNWHRSA-N 1 0 205.265 0.395 20 30 BCEDRO C[C@H](CNC(=O)c1cc(C#N)ccn1)C[NH+](C)C ZINC000293833948 176676448 /nfs/dbraw/zinc/67/64/48/176676448.db2.gz CYYVQOADBAQZEO-SNVBAGLBSA-N 1 0 246.314 0.881 20 30 BCEDRO C=C[C@H](O)C(=O)N(CC[NH+](C)C)CC(C)C ZINC000668300478 487635280 /nfs/dbraw/zinc/63/52/80/487635280.db2.gz OFXOWNWPGMCEEW-NSHDSACASA-N 1 0 228.336 0.580 20 30 BCEDRO C[C@H](c1ccc(C#N)cc1)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278622794 177032986 /nfs/dbraw/zinc/03/29/86/177032986.db2.gz FYBOAZPWIFETFK-OASPWFOLSA-N 1 0 232.283 0.657 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H]2COC3(CCCC3)O2)N1 ZINC000262669168 177278989 /nfs/dbraw/zinc/27/89/89/177278989.db2.gz QENVRSFVAYYXLT-UWVGGRQHSA-N 1 0 239.319 0.609 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2ccccc2O)N1 ZINC000285173979 177279440 /nfs/dbraw/zinc/27/94/40/177279440.db2.gz UEVVSXNTSDTCNX-QMMMGPOBSA-N 1 0 205.261 0.830 20 30 BCEDRO N#CCCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424460342 224864696 /nfs/dbraw/zinc/86/46/96/224864696.db2.gz JJGLPBGTXLZNQZ-NXEZZACHSA-N 1 0 224.308 0.859 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCC#N ZINC000487023761 225282351 /nfs/dbraw/zinc/28/23/51/225282351.db2.gz SSALHWUDZNPMSP-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO N#CCN1CC[NH+](CC[C@@H]2CCOC2)CC1 ZINC000400967344 226352485 /nfs/dbraw/zinc/35/24/85/226352485.db2.gz HYGPSOZSVLEJHX-GFCCVEGCSA-N 1 0 223.320 0.554 20 30 BCEDRO C[NH+](C)C1(CNc2cncc(C#N)n2)CC1 ZINC000401217114 226353792 /nfs/dbraw/zinc/35/37/92/226353792.db2.gz RLHQBFINQVMQGH-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226028535 487653757 /nfs/dbraw/zinc/65/37/57/487653757.db2.gz KIDARYKEBBMHMG-WDEREUQCSA-N 1 0 225.336 0.348 20 30 BCEDRO CC#CCCN1CC[NH+](C(C)(C)CO)CC1 ZINC000680884992 487665139 /nfs/dbraw/zinc/66/51/39/487665139.db2.gz IBZQDBOHUBPQPP-UHFFFAOYSA-N 1 0 224.348 0.788 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C1CCCC1 ZINC000564845519 322938315 /nfs/dbraw/zinc/93/83/15/322938315.db2.gz BQJYHTZDODOMDO-LBPRGKRZSA-N 1 0 225.336 0.725 20 30 BCEDRO C=CCOCCNC(=O)[C@]1(C)CCC[NH2+]C1 ZINC000304257693 487670468 /nfs/dbraw/zinc/67/04/68/487670468.db2.gz SMNZOTLYEOPFLF-GFCCVEGCSA-N 1 0 226.320 0.695 20 30 BCEDRO COCC#CCN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000669692940 487677607 /nfs/dbraw/zinc/67/76/07/487677607.db2.gz KNVLDKXSWLFZKO-QWHCGFSZSA-N 1 0 240.347 0.023 20 30 BCEDRO C[C@@H](CCC#N)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528752698 262970124 /nfs/dbraw/zinc/97/01/24/262970124.db2.gz FBDKLWKLWUQEAY-RWMBFGLXSA-N 1 0 240.347 0.991 20 30 BCEDRO CC[N@@H+]1CCN(CC#CCOC)[C@H](C)C1 ZINC000671716856 487700604 /nfs/dbraw/zinc/70/06/04/487700604.db2.gz XZMTWYRJUOBZBJ-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C=CCOCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000309720582 487723448 /nfs/dbraw/zinc/72/34/48/487723448.db2.gz VVWMTSVWOSPXDK-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO N#Cc1cncnc1N[C@H]1CC[NH2+]C12CCC2 ZINC000530180416 268171108 /nfs/dbraw/zinc/17/11/08/268171108.db2.gz ZLKXIBRXPBLDKA-JTQLQIEISA-N 1 0 229.287 0.467 20 30 BCEDRO C=C(C)[C@@H](CO)N(C)CC[N@H+](C)C1CC1 ZINC000681168171 487740927 /nfs/dbraw/zinc/74/09/27/487740927.db2.gz GDDXYDFKYLTZBC-GFCCVEGCSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](CC)CC(=O)N(C)C ZINC000675495318 487741631 /nfs/dbraw/zinc/74/16/31/487741631.db2.gz MINRGWMVCNVQTM-LLVKDONJSA-N 1 0 228.336 0.724 20 30 BCEDRO C=CCOCCNC(=O)NC1CC[NH2+]CC1 ZINC000659504372 487744429 /nfs/dbraw/zinc/74/44/29/487744429.db2.gz BFWSWMZEXMCAQK-UHFFFAOYSA-N 1 0 227.308 0.240 20 30 BCEDRO C=C(C)COCCNC(=O)[C@H](C)[NH+](C)C ZINC000675605741 487751893 /nfs/dbraw/zinc/75/18/93/487751893.db2.gz OBIQRTSPCCXFON-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000251634820 487780192 /nfs/dbraw/zinc/78/01/92/487780192.db2.gz FPVXMUCYTSWZFN-QJPTWQEYSA-N 1 0 239.363 0.736 20 30 BCEDRO COCC#CC[N@H+]1CC=C(COC)CC1 ZINC000681472236 487800662 /nfs/dbraw/zinc/80/06/62/487800662.db2.gz NWYAHDCVVNVLIA-UHFFFAOYSA-N 1 0 209.289 0.915 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000681470260 487800766 /nfs/dbraw/zinc/80/07/66/487800766.db2.gz SYXSRGBOVMDMEF-LLVKDONJSA-N 1 0 235.287 0.477 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000668476947 487803382 /nfs/dbraw/zinc/80/33/82/487803382.db2.gz QHLJYFPCUQUOIU-SNVBAGLBSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000666428256 487804662 /nfs/dbraw/zinc/80/46/62/487804662.db2.gz LVSZJMRXWUBCDF-AAEUAGOBSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000666428257 487805333 /nfs/dbraw/zinc/80/53/33/487805333.db2.gz LVSZJMRXWUBCDF-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(Cl)CNC(=O)/C=C\C[NH+](C)C ZINC000308269576 487814025 /nfs/dbraw/zinc/81/40/25/487814025.db2.gz RIKSNCKNRBOCFX-PLNGDYQASA-N 1 0 202.685 0.973 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H](C)OC ZINC000794002569 586030000 /nfs/dbraw/zinc/03/00/00/586030000.db2.gz FDBRKIJWISZYNS-NXEZZACHSA-N 1 0 214.309 0.644 20 30 BCEDRO C=CCOCCCNC(=O)N(C)CC[NH+](C)C ZINC000666521947 487826701 /nfs/dbraw/zinc/82/67/01/487826701.db2.gz MSYAABVSBNMDIE-UHFFFAOYSA-N 1 0 243.351 0.782 20 30 BCEDRO C=CC[N@H+](C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000681696778 487841905 /nfs/dbraw/zinc/84/19/05/487841905.db2.gz PVVLVQQABYLOTG-SNVBAGLBSA-N 1 0 217.334 0.929 20 30 BCEDRO C=CC[N@H+](C)CC[C@H]1CCS(=O)(=O)C1 ZINC000681696777 487842143 /nfs/dbraw/zinc/84/21/43/487842143.db2.gz PVVLVQQABYLOTG-JTQLQIEISA-N 1 0 217.334 0.929 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1(COC)CC1 ZINC000876678948 590230015 /nfs/dbraw/zinc/23/00/15/590230015.db2.gz TZNPCGSCQMAKCA-MRVPVSSYSA-N 1 0 232.711 0.752 20 30 BCEDRO C#CCCCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905158251 637637850 /nfs/dbraw/zinc/63/78/50/637637850.db2.gz HHKBZCGMLYNPPQ-NSHDSACASA-N 1 0 211.305 0.655 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000668151695 487852430 /nfs/dbraw/zinc/85/24/30/487852430.db2.gz MLAYSLBNRDRLJP-LBPRGKRZSA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000967943836 642805081 /nfs/dbraw/zinc/80/50/81/642805081.db2.gz LZTBNZBMNIHHJK-RKDXNWHRSA-N 1 0 213.256 0.306 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000666800780 487882714 /nfs/dbraw/zinc/88/27/14/487882714.db2.gz NGGOXRHUXHZZKD-ZDUSSCGKSA-N 1 0 238.331 0.478 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000666809624 487884729 /nfs/dbraw/zinc/88/47/29/487884729.db2.gz MVJLHDJMAIAYEK-CMPLNLGQSA-N 1 0 226.320 0.380 20 30 BCEDRO CC#CCN1CC[N@H+](CCO)C(C)(C)C1 ZINC000682034173 487886641 /nfs/dbraw/zinc/88/66/41/487886641.db2.gz DGXCDZNRIDNVBY-UHFFFAOYSA-N 1 0 210.321 0.398 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682037309 487886723 /nfs/dbraw/zinc/88/67/23/487886723.db2.gz CGLBSZNQASPMNG-GFCCVEGCSA-N 1 0 242.363 0.312 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000847020037 645414825 /nfs/dbraw/zinc/41/48/25/645414825.db2.gz VOONUEGTVKTDCE-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO COCC#CCN1CC[NH+](CC(C)C)CC1 ZINC000677132684 487888625 /nfs/dbraw/zinc/88/86/25/487888625.db2.gz MVFLCCDDWFDCAA-UHFFFAOYSA-N 1 0 224.348 0.910 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000677133503 487895324 /nfs/dbraw/zinc/89/53/24/487895324.db2.gz ZMFRPYHNTOVPSJ-ZDUSSCGKSA-N 1 0 247.342 0.934 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000666913749 487903109 /nfs/dbraw/zinc/90/31/09/487903109.db2.gz REKJIZDREKYCQV-CMPLNLGQSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000666913750 487903048 /nfs/dbraw/zinc/90/30/48/487903048.db2.gz REKJIZDREKYCQV-JQWIXIFHSA-N 1 0 226.320 0.381 20 30 BCEDRO O=C(NO)c1cccc(-n2ccnc2)n1 ZINC000671995954 487926435 /nfs/dbraw/zinc/92/64/35/487926435.db2.gz NJEQUWGWSNTRNA-UHFFFAOYSA-N 1 0 204.189 0.386 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000682220951 487928157 /nfs/dbraw/zinc/92/81/57/487928157.db2.gz QVIVFRNEIQQAEK-VXGBXAGGSA-N 1 0 211.305 0.993 20 30 BCEDRO C=CCCS(=O)(=O)NCCC1(C[NH3+])CC1 ZINC000652378987 487937893 /nfs/dbraw/zinc/93/78/93/487937893.db2.gz UPUMAAANLXYFFB-UHFFFAOYSA-N 1 0 232.349 0.611 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676876248 487939736 /nfs/dbraw/zinc/93/97/36/487939736.db2.gz GOECZTJFXPUUMV-WDEREUQCSA-N 1 0 208.305 0.986 20 30 BCEDRO C=C[C@H](O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000667112204 487940318 /nfs/dbraw/zinc/94/03/18/487940318.db2.gz WUPZKVGMWQTNAA-NSHDSACASA-N 1 0 226.320 0.381 20 30 BCEDRO CC(C)[NH2+]CCCNC(=O)NCCCC#N ZINC000561208695 322997190 /nfs/dbraw/zinc/99/71/90/322997190.db2.gz GDDCDBJIWDCKPN-UHFFFAOYSA-N 1 0 226.324 0.977 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+]1CCS[C@H](CC)C1 ZINC000247646423 323013564 /nfs/dbraw/zinc/01/35/64/323013564.db2.gz ULTINYHEZZVEDH-GHMZBOCLSA-N 1 0 240.372 0.952 20 30 BCEDRO C[C@@H](C#N)CNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000562342819 323017135 /nfs/dbraw/zinc/01/71/35/323017135.db2.gz TUQJZQPFHFSVCY-ONGXEEELSA-N 1 0 221.304 0.889 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccco1 ZINC000064615482 323035700 /nfs/dbraw/zinc/03/57/00/323035700.db2.gz CCNZRMVJXGQVIT-UHFFFAOYSA-N 1 0 206.245 0.509 20 30 BCEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CCn1cccn1 ZINC000289578571 323036182 /nfs/dbraw/zinc/03/61/82/323036182.db2.gz BJFASKPLENATCB-QWRGUYRKSA-N 1 0 209.293 0.798 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000569814394 323041273 /nfs/dbraw/zinc/04/12/73/323041273.db2.gz WWPHWEAJNIZDRE-DTWKUNHWSA-N 1 0 231.321 0.041 20 30 BCEDRO COC(=O)c1ccc(NCC[NH+](C)C)c(C#N)n1 ZINC000569868740 323043335 /nfs/dbraw/zinc/04/33/35/323043335.db2.gz ZNVJWKXIUWDQSB-UHFFFAOYSA-N 1 0 248.286 0.713 20 30 BCEDRO N#CCC[NH2+][C@H](CCO)C1CCOCC1 ZINC000569928005 323044574 /nfs/dbraw/zinc/04/45/74/323044574.db2.gz UMBQEUIZDFOGNF-LLVKDONJSA-N 1 0 212.293 0.667 20 30 BCEDRO C[C@@H](NS(=O)(=O)c1ccc(C#N)o1)[C@H](C)[NH3+] ZINC000570108480 323050272 /nfs/dbraw/zinc/05/02/72/323050272.db2.gz YTKSUWMYTBWCSC-NKWVEPMBSA-N 1 0 243.288 0.165 20 30 BCEDRO C=CCNC(=O)CSC[C@@H]1CN(C)CCO1 ZINC000570332006 323056258 /nfs/dbraw/zinc/05/62/58/323056258.db2.gz XQKBUAOAFQBZSD-JTQLQIEISA-N 1 0 244.360 0.352 20 30 BCEDRO C=CCN1CCC([NH2+][C@@H](C)[C@H](C)O)CC1 ZINC000570836019 323072114 /nfs/dbraw/zinc/07/21/14/323072114.db2.gz APHQVMOFCRTAQC-QWRGUYRKSA-N 1 0 212.337 0.996 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000563221023 323104506 /nfs/dbraw/zinc/10/45/06/323104506.db2.gz QLDPUZZABBKWQK-RYUDHWBXSA-N 1 0 223.320 0.695 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1CCCC1 ZINC000563343409 323119218 /nfs/dbraw/zinc/11/92/18/323119218.db2.gz SISMTBGNMBMIHD-ZDUSSCGKSA-N 1 0 239.363 0.973 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000563394106 323122513 /nfs/dbraw/zinc/12/25/13/323122513.db2.gz BZFBKXRMKRQPHI-SRVKXCTJSA-N 1 0 240.347 0.722 20 30 BCEDRO C=C(C)CS(=O)(=O)N(C)Cc1c[nH]cn1 ZINC000563435307 323125297 /nfs/dbraw/zinc/12/52/97/323125297.db2.gz IRONVUDCFFPAQW-UHFFFAOYSA-N 1 0 229.305 0.747 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C#N)CC1 ZINC000571145044 323136467 /nfs/dbraw/zinc/13/64/67/323136467.db2.gz IUOBGZGILQUEBO-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO N#Cc1cncc(N2CC[C@]3(C2)CCC[NH2+]C3)n1 ZINC000571165608 323137332 /nfs/dbraw/zinc/13/73/32/323137332.db2.gz ISUJGNOUBXKOTA-CYBMUJFWSA-N 1 0 243.314 0.928 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C1CC(C)(F)C1 ZINC000571315197 323141148 /nfs/dbraw/zinc/14/11/48/323141148.db2.gz AWBLTOZYWNTSJN-CXQJBGSLSA-N 1 0 243.326 0.673 20 30 BCEDRO C#CC[N@H+](C)CCCNc1nccnc1C#N ZINC000292672792 323151385 /nfs/dbraw/zinc/15/13/85/323151385.db2.gz DEIVUFVNXBICGV-UHFFFAOYSA-N 1 0 229.287 0.715 20 30 BCEDRO C[N@H+](CCNC(=O)c1ccc(C#N)cn1)C1CC1 ZINC000111277017 323159093 /nfs/dbraw/zinc/15/90/93/323159093.db2.gz XIFBYTWKXUIXTJ-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C[N@H+](Cc1ccc(C#N)cc1)CC1(CO)COC1 ZINC000305043923 323166768 /nfs/dbraw/zinc/16/67/68/323166768.db2.gz WZVFKLRFCRPVQO-UHFFFAOYSA-N 1 0 246.310 0.999 20 30 BCEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)CCC ZINC000327995114 323196635 /nfs/dbraw/zinc/19/66/35/323196635.db2.gz MIOOICZFYIVIPU-UHFFFAOYSA-N 1 0 232.349 0.271 20 30 BCEDRO C[C@@H](CC[NH3+])NS(=O)(=O)c1ccc(C#N)o1 ZINC000571702191 323467260 /nfs/dbraw/zinc/46/72/60/323467260.db2.gz DWIABEHMHFIFEL-ZETCQYMHSA-N 1 0 243.288 0.167 20 30 BCEDRO C[C@H]1[NH2+]CC[C@@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000571880081 323496943 /nfs/dbraw/zinc/49/69/43/323496943.db2.gz LPQZAOSDTHJDQM-YTWAJWBKSA-N 1 0 221.304 0.793 20 30 BCEDRO COC[C@H](C)OC[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000571993297 323518893 /nfs/dbraw/zinc/51/88/93/323518893.db2.gz DAWKXTVGUXUUDI-WDEREUQCSA-N 1 0 242.319 0.292 20 30 BCEDRO Cc1nc(C(=O)N(C)C2CC([NH3+])C2)ccc1C#N ZINC000572010554 323522704 /nfs/dbraw/zinc/52/27/04/323522704.db2.gz CAEJXLWUMNSBLJ-UHFFFAOYSA-N 1 0 244.298 0.823 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000321066476 323600159 /nfs/dbraw/zinc/60/01/59/323600159.db2.gz ZDORAYIOOOFGRG-JGVFFNPUSA-N 1 0 227.226 0.826 20 30 BCEDRO C[C@@H]([NH3+])C[C@H](C)Nc1nccc(C#N)n1 ZINC000320593064 323574726 /nfs/dbraw/zinc/57/47/26/323574726.db2.gz WBLNYWIYUJZQJT-SFYZADRCSA-N 1 0 205.265 0.886 20 30 BCEDRO CC#CC[N@@H+](C)C[C@H](O)CC(=O)OCC ZINC000599431091 487961467 /nfs/dbraw/zinc/96/14/67/487961467.db2.gz QIYPGWDRYQFZKN-SNVBAGLBSA-N 1 0 213.277 0.256 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000537120808 324013347 /nfs/dbraw/zinc/01/33/47/324013347.db2.gz KGYLAXFACAAHRO-QWRGUYRKSA-N 1 0 226.320 0.239 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)[C@@H](C)CC ZINC000491737132 324158726 /nfs/dbraw/zinc/15/87/26/324158726.db2.gz VOVTUDNGRBTGIU-QWRGUYRKSA-N 1 0 226.320 0.123 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000491779655 324161254 /nfs/dbraw/zinc/16/12/54/324161254.db2.gz JZGQYRGQXGBSML-OLZOCXBDSA-N 1 0 219.284 0.174 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)N1CCSC[C@@H]1C#N ZINC000492363352 324162884 /nfs/dbraw/zinc/16/28/84/324162884.db2.gz GFUMUVVNUKRHDJ-XOULXFPDSA-N 1 0 239.344 0.572 20 30 BCEDRO CC#CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000542673177 325040758 /nfs/dbraw/zinc/04/07/58/325040758.db2.gz JCGQTOHXAZHYCR-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCN(CCCC)[C@H]1CCS(=O)(=O)C1 ZINC000071015839 325050300 /nfs/dbraw/zinc/05/03/00/325050300.db2.gz YRRDNARORWFHKN-NSHDSACASA-N 1 0 229.345 0.909 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000542878253 325059945 /nfs/dbraw/zinc/05/99/45/325059945.db2.gz VNPVKQJGNLYLEP-UWVGGRQHSA-N 1 0 226.324 0.785 20 30 BCEDRO CO[C@@H](C)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000130786648 325087599 /nfs/dbraw/zinc/08/75/99/325087599.db2.gz VBSLWSQPIZIIKE-NSHDSACASA-N 1 0 241.335 0.715 20 30 BCEDRO Cc1ccccc1[C@H](CO)[NH2+]CC(=O)NCC#N ZINC000543839737 325116683 /nfs/dbraw/zinc/11/66/83/325116683.db2.gz MWHQBEBRHUUMFQ-LBPRGKRZSA-N 1 0 247.298 0.258 20 30 BCEDRO N#CCSCCC[N@H+]1CCCC[C@H]1C(N)=O ZINC000074981392 325273616 /nfs/dbraw/zinc/27/36/16/325273616.db2.gz LQEMIPCXZFBDMR-JTQLQIEISA-N 1 0 241.360 0.973 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000547404412 325351623 /nfs/dbraw/zinc/35/16/23/325351623.db2.gz GSGZFMVRSCVADO-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCN(CCOC)CC1 ZINC000677133142 487968137 /nfs/dbraw/zinc/96/81/37/487968137.db2.gz JRIZSXIIAXMRIU-LBPRGKRZSA-N 1 0 228.336 0.187 20 30 BCEDRO C#CCNC(=[NH2+])NCCc1ccccc1 ZINC000104156190 487969751 /nfs/dbraw/zinc/96/97/51/487969751.db2.gz NSSKGPWRVKCJEA-UHFFFAOYSA-N 1 0 201.273 0.767 20 30 BCEDRO CC(C)COC[C@H](O)C[NH2+]C[C@@H](C)C#N ZINC000564857767 325818699 /nfs/dbraw/zinc/81/86/99/325818699.db2.gz YBFJEQBAHOEIEX-WDEREUQCSA-N 1 0 214.309 0.769 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)Nc1cccc(C#N)n1 ZINC000564943224 325830856 /nfs/dbraw/zinc/83/08/56/325830856.db2.gz XVRMCGVVVOKTPB-UHFFFAOYSA-N 1 0 247.302 0.979 20 30 BCEDRO C=CCOCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000564956972 325833725 /nfs/dbraw/zinc/83/37/25/325833725.db2.gz WGHZTXXGEVHJPD-ZETCQYMHSA-N 1 0 222.235 0.288 20 30 BCEDRO Cc1ccccc1OC[C@H](O)C[NH2+]CC#CCO ZINC000566234054 326020421 /nfs/dbraw/zinc/02/04/21/326020421.db2.gz OVUVHPXVJPCNKE-CYBMUJFWSA-N 1 0 249.310 0.320 20 30 BCEDRO Cc1nc(C(=O)N[C@H](C[NH3+])C2CC2)ccc1C#N ZINC000566404611 326040034 /nfs/dbraw/zinc/04/00/34/326040034.db2.gz QNSBYFQKPZESTN-GFCCVEGCSA-N 1 0 244.298 0.729 20 30 BCEDRO Cc1nc(C(=O)N[C@@H](C[NH3+])C2CC2)ccc1C#N ZINC000566404612 326040227 /nfs/dbraw/zinc/04/02/27/326040227.db2.gz QNSBYFQKPZESTN-LBPRGKRZSA-N 1 0 244.298 0.729 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)CN1CC(C)(C)C1 ZINC000566730899 326077368 /nfs/dbraw/zinc/07/73/68/326077368.db2.gz XAXWHJRVZKOCSX-SNVBAGLBSA-N 1 0 223.320 0.946 20 30 BCEDRO Cc1nc(C#N)c(C#N)n1CC1CC[NH2+]CC1 ZINC000566735739 326078002 /nfs/dbraw/zinc/07/80/02/326078002.db2.gz FTGFPEHSSYOZND-UHFFFAOYSA-N 1 0 229.287 0.934 20 30 BCEDRO C=CCCCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000566746101 326079463 /nfs/dbraw/zinc/07/94/63/326079463.db2.gz UAYATOADVSHXTH-LLVKDONJSA-N 1 0 212.293 0.577 20 30 BCEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@H](O)C1CC1 ZINC000567111173 326118052 /nfs/dbraw/zinc/11/80/52/326118052.db2.gz MAPXBEUPIPVFMI-ONGXEEELSA-N 1 0 207.277 0.790 20 30 BCEDRO CC[C@@H](C)C(=O)N[C@@](C)(C#N)CN(C)C ZINC000567324340 326160872 /nfs/dbraw/zinc/16/08/72/326160872.db2.gz LKGHHLPNVBTMJA-KOLCDFICSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000567632070 326235046 /nfs/dbraw/zinc/23/50/46/326235046.db2.gz OUDZCVJAAXWSNI-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO CC[C@@H]1C[C@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000567700857 326247614 /nfs/dbraw/zinc/24/76/14/326247614.db2.gz SHLPXYXDQSTJPR-GRYCIOLGSA-N 1 0 225.336 0.581 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCCC#N ZINC000567709948 326249386 /nfs/dbraw/zinc/24/93/86/326249386.db2.gz DOFXXTXWFIGNFZ-LLVKDONJSA-N 1 0 224.308 0.086 20 30 BCEDRO CC[N@H+](CCO)CCNC[C@H](C#N)CCC#N ZINC000567873286 326274607 /nfs/dbraw/zinc/27/46/07/326274607.db2.gz RDLIBGKGJKJEAF-LBPRGKRZSA-N 1 0 238.335 0.334 20 30 BCEDRO CC(=O)NCC[N@@H+](C)Cc1cc(C#N)n(C)c1 ZINC000567905227 326280531 /nfs/dbraw/zinc/28/05/31/326280531.db2.gz LORBFOQAXBKJLV-UHFFFAOYSA-N 1 0 234.303 0.465 20 30 BCEDRO COC[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000568104984 326309163 /nfs/dbraw/zinc/30/91/63/326309163.db2.gz KYGNRQZBKUTYDK-CMPLNLGQSA-N 1 0 239.319 0.373 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000568151713 326313712 /nfs/dbraw/zinc/31/37/12/326313712.db2.gz JHOOQLRQQOQZAG-ZNSHCXBVSA-N 1 0 208.305 0.923 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)c1cccc(C#N)c1 ZINC000568153490 326314217 /nfs/dbraw/zinc/31/42/17/326314217.db2.gz IVLPCOAMPPWMTF-VIFPVBQESA-N 1 0 217.272 0.883 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1CC12CC2 ZINC000568255562 326335857 /nfs/dbraw/zinc/33/58/57/326335857.db2.gz NSYJZBORQLHNOU-NEPJUHHUSA-N 1 0 237.347 0.582 20 30 BCEDRO C=CCN1CC[C@@H](SCC[NH2+]C)C1=O ZINC000568628050 326368943 /nfs/dbraw/zinc/36/89/43/326368943.db2.gz KPQUVEOZMJIHTC-SECBINFHSA-N 1 0 214.334 0.726 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NCCCC#N)C1 ZINC000568764491 326376070 /nfs/dbraw/zinc/37/60/70/326376070.db2.gz YAXLKFGOPUJDHP-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO CN(CCC(=O)NCC#CCO)c1cc[nH+]cc1 ZINC000568763153 326376217 /nfs/dbraw/zinc/37/62/17/326376217.db2.gz NMXGUNQJEIYCRK-UHFFFAOYSA-N 1 0 247.298 0.020 20 30 BCEDRO CC(CO)(CO)C[NH2+]C[C@H](C#N)CCC#N ZINC000568983496 326384525 /nfs/dbraw/zinc/38/45/25/326384525.db2.gz KDLKVKWWMVVVCY-JTQLQIEISA-N 1 0 225.292 0.010 20 30 BCEDRO COC[C@@](C)(O)CC[NH2+]C[C@H](C#N)CCC#N ZINC000569112259 326390609 /nfs/dbraw/zinc/39/06/09/326390609.db2.gz VXVWSFFWJNYDFO-RYUDHWBXSA-N 1 0 239.319 0.807 20 30 BCEDRO C[C@@]1(C(=O)N[C@@H]2CC[C@H](C#N)C2)CCC[NH2+]1 ZINC000569109986 326390628 /nfs/dbraw/zinc/39/06/28/326390628.db2.gz KXQFGCSGKLEBHV-UMNHJUIQSA-N 1 0 221.304 0.937 20 30 BCEDRO COC[C@](C)(O)CC[NH2+]C[C@H](C#N)CCC#N ZINC000569112258 326390672 /nfs/dbraw/zinc/39/06/72/326390672.db2.gz VXVWSFFWJNYDFO-NWDGAFQWSA-N 1 0 239.319 0.807 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@]1(CCOC)CCOC1 ZINC000572945558 326420180 /nfs/dbraw/zinc/42/01/80/326420180.db2.gz GMVCEHSOYUBUSE-GFCCVEGCSA-N 1 0 242.319 0.074 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000682538998 487981411 /nfs/dbraw/zinc/98/14/11/487981411.db2.gz MNBIMIYKOHWYED-TUAOUCFPSA-N 1 0 236.315 0.222 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000666427352 488002841 /nfs/dbraw/zinc/00/28/41/488002841.db2.gz TXYRVXMUBNPNON-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000666427350 488003017 /nfs/dbraw/zinc/00/30/17/488003017.db2.gz TXYRVXMUBNPNON-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000669119847 488007582 /nfs/dbraw/zinc/00/75/82/488007582.db2.gz JJDUNWOULOUUSG-MXWKQRLJSA-N 1 0 226.320 0.332 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000669123717 488012961 /nfs/dbraw/zinc/01/29/61/488012961.db2.gz HBOVJYYMQYVLFD-UTUOFQBUSA-N 1 0 240.347 0.722 20 30 BCEDRO C=C(C)CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655924199 488021065 /nfs/dbraw/zinc/02/10/65/488021065.db2.gz HVINXWFIIOFUQJ-ZCFIWIBFSA-N 1 0 225.214 0.751 20 30 BCEDRO C=C(C)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655924198 488021613 /nfs/dbraw/zinc/02/16/13/488021613.db2.gz HVINXWFIIOFUQJ-LURJTMIESA-N 1 0 225.214 0.751 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@@H+](C)C2CCC2)CC1 ZINC000490853526 488025834 /nfs/dbraw/zinc/02/58/34/488025834.db2.gz SHSKMGJNMXRDMI-UHFFFAOYSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000491068310 488029332 /nfs/dbraw/zinc/02/93/32/488029332.db2.gz NUVANURTZPJTMA-NWDGAFQWSA-N 1 0 238.331 0.361 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000491683532 488037375 /nfs/dbraw/zinc/03/73/75/488037375.db2.gz ZNGGCYACPAJRNZ-MNOVXSKESA-N 1 0 223.320 0.840 20 30 BCEDRO C=CCCOCCNC(=O)[C@H](C)[NH+](C)C ZINC000677466140 488042787 /nfs/dbraw/zinc/04/27/87/488042787.db2.gz MOHULXLPNSLNSI-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000667563079 488047237 /nfs/dbraw/zinc/04/72/37/488047237.db2.gz UMQYYRUUUQJUAB-AAEUAGOBSA-N 1 0 240.347 0.772 20 30 BCEDRO Cc1nc(C(=O)N(C)[C@H]2CC[NH2+]C2)ccc1C#N ZINC000515664561 488066584 /nfs/dbraw/zinc/06/65/84/488066584.db2.gz NWLVGFFDQHCFEX-NSHDSACASA-N 1 0 244.298 0.696 20 30 BCEDRO Cc1nc[nH]c1CNC(=O)c1cnn(C)c1 ZINC000331014103 488075929 /nfs/dbraw/zinc/07/59/29/488075929.db2.gz GEYKMADIRHODPQ-UHFFFAOYSA-N 1 0 219.248 0.956 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](C(F)F)C1 ZINC000677735812 488114734 /nfs/dbraw/zinc/11/47/34/488114734.db2.gz HMRSLUJGXYVSRQ-MRVPVSSYSA-N 1 0 218.247 0.876 20 30 BCEDRO COCC#CC[N@H+](CCOCCO)C(C)C ZINC000670108763 488119360 /nfs/dbraw/zinc/11/93/60/488119360.db2.gz WXSGYODWCQNILK-UHFFFAOYSA-N 1 0 229.320 0.356 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)CC[C@H]1CCCC[N@@H+]1C ZINC000669249423 488126616 /nfs/dbraw/zinc/12/66/16/488126616.db2.gz KUMMVTIHDOSLRZ-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO COCC#CCN1CCC([NH+](C)C)CC1 ZINC000677817594 488131148 /nfs/dbraw/zinc/13/11/48/488131148.db2.gz QZKPNYREBUQCLD-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C=CCCNC(=O)COC1CC[NH2+]CC1 ZINC000168811187 487542803 /nfs/dbraw/zinc/54/28/03/487542803.db2.gz AZKHSNZERIZBNY-UHFFFAOYSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCCCNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000669573438 487544965 /nfs/dbraw/zinc/54/49/65/487544965.db2.gz KTAIEOSFHKLDRH-WDEREUQCSA-N 1 0 241.335 0.710 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000677819717 488135819 /nfs/dbraw/zinc/13/58/19/488135819.db2.gz NMQXQALWKWVWDN-GFCCVEGCSA-N 1 0 236.315 0.333 20 30 BCEDRO C=CCOCCNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399423076 487483799 /nfs/dbraw/zinc/48/37/99/487483799.db2.gz GCCNZDKBQZEODW-GHMZBOCLSA-N 1 0 228.336 0.925 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CCCO)C2CC2)C1=O ZINC000685001128 487489480 /nfs/dbraw/zinc/48/94/80/487489480.db2.gz MDTUCNGIOJVRHD-LBPRGKRZSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc2ccccn12 ZINC000381626487 487517225 /nfs/dbraw/zinc/51/72/25/487517225.db2.gz LFKSPBFFIIIASM-SNVBAGLBSA-N 1 0 217.272 0.971 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CC[C@@H](C2CC2)[NH2+]1 ZINC000407292591 487524047 /nfs/dbraw/zinc/52/40/47/487524047.db2.gz YOLXNXDYBYMCOW-NWDGAFQWSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CC[C@H](C2CC2)[NH2+]1 ZINC000407292595 487524300 /nfs/dbraw/zinc/52/43/00/487524300.db2.gz YOLXNXDYBYMCOW-VXGBXAGGSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000685654189 487570701 /nfs/dbraw/zinc/57/07/01/487570701.db2.gz GHUDFAIFYQRQQZ-WDEREUQCSA-N 1 0 238.335 0.928 20 30 BCEDRO C=C[C@@H](C)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000158715956 487972532 /nfs/dbraw/zinc/97/25/32/487972532.db2.gz NFYKEFJYHLKKRG-RKDXNWHRSA-N 1 0 214.334 0.772 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000668700591 488134201 /nfs/dbraw/zinc/13/42/01/488134201.db2.gz DTOIVLMRZJCRAH-ZWNOBZJWSA-N 1 0 240.347 0.770 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000677819718 488135771 /nfs/dbraw/zinc/13/57/71/488135771.db2.gz NMQXQALWKWVWDN-LBPRGKRZSA-N 1 0 236.315 0.333 20 30 BCEDRO CC#CC[N@@H+](C)C[C@@H](OC)[C@@H]1CCOC1 ZINC000660644731 488140013 /nfs/dbraw/zinc/14/00/13/488140013.db2.gz MVTHSFBAFHGSML-VXGBXAGGSA-N 1 0 211.305 0.993 20 30 BCEDRO C=CCOCCNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000379490988 488140120 /nfs/dbraw/zinc/14/01/20/488140120.db2.gz QEZYAYZFTARPMQ-RKDXNWHRSA-N 1 0 200.282 0.289 20 30 BCEDRO CC#CC[N@@H+](C)C[C@@H](OC)[C@H]1CCOC1 ZINC000660644729 488140377 /nfs/dbraw/zinc/14/03/77/488140377.db2.gz MVTHSFBAFHGSML-NWDGAFQWSA-N 1 0 211.305 0.993 20 30 BCEDRO C=CCOCCNC(=O)c1ccnc(C[NH3+])c1 ZINC000379720221 488147606 /nfs/dbraw/zinc/14/76/06/488147606.db2.gz ZGKCWTUBEODRFL-UHFFFAOYSA-N 1 0 235.287 0.473 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CO[C@@H](C2CC2)C1 ZINC000667926982 488160073 /nfs/dbraw/zinc/16/00/73/488160073.db2.gz HIHQYVQKQXJSKY-GHMZBOCLSA-N 1 0 224.304 0.446 20 30 BCEDRO COCC#CCN1CCC[C@H]1c1nncn1C ZINC000678087463 488194848 /nfs/dbraw/zinc/19/48/48/488194848.db2.gz SVDZHRMVLKODJV-NSHDSACASA-N 1 0 234.303 0.602 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000668166445 488213142 /nfs/dbraw/zinc/21/31/42/488213142.db2.gz LHXRGTVFRWBKOO-NXEZZACHSA-N 1 0 209.293 0.566 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000669555389 488216663 /nfs/dbraw/zinc/21/66/63/488216663.db2.gz UUYBHALRMDROPB-QWRGUYRKSA-N 1 0 241.335 0.486 20 30 BCEDRO C=CCCOCC(=O)N(C)CCC[NH+](C)C ZINC000678865724 488291285 /nfs/dbraw/zinc/29/12/85/488291285.db2.gz GAZQXFQTHUZJRT-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C=CCCOCC(=O)NCC1=CC[N@H+](C)CC1 ZINC000678877144 488292813 /nfs/dbraw/zinc/29/28/13/488292813.db2.gz WMUKJLVVROWLSP-UHFFFAOYSA-N 1 0 238.331 0.957 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000684668236 488337436 /nfs/dbraw/zinc/33/74/36/488337436.db2.gz IKMHFXUBUYFCKQ-CMPLNLGQSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000684761962 488340525 /nfs/dbraw/zinc/34/05/25/488340525.db2.gz BZZLPTKXTMHSAI-NSHDSACASA-N 1 0 246.376 0.824 20 30 BCEDRO C=CCOCCNC(=O)N(C)CC[NH+](C)C ZINC000679630477 488360638 /nfs/dbraw/zinc/36/06/38/488360638.db2.gz RJCNGVTXRJCCPW-UHFFFAOYSA-N 1 0 229.324 0.392 20 30 BCEDRO C=CCCCN(C)C(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653093520 490065314 /nfs/dbraw/zinc/06/53/14/490065314.db2.gz GIQLXSAOXJCXDU-AAEUAGOBSA-N 1 0 238.331 0.647 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@]1(F)CCOC1 ZINC000491786266 490118424 /nfs/dbraw/zinc/11/84/24/490118424.db2.gz VVIVTYKJMDUNDZ-GFCCVEGCSA-N 1 0 242.294 0.186 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CCCO)C1 ZINC000491793357 490119738 /nfs/dbraw/zinc/11/97/38/490119738.db2.gz KNNZDLDUMMJZDK-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)CCCC[NH+](C)C ZINC000668950439 490127053 /nfs/dbraw/zinc/12/70/53/490127053.db2.gz ROJJKXBQGIOVBF-GFCCVEGCSA-N 1 0 228.336 0.724 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000669012574 490166362 /nfs/dbraw/zinc/16/63/62/490166362.db2.gz GIOAAFWYVLRNLV-GHMZBOCLSA-N 1 0 226.320 0.332 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000128431908 490579462 /nfs/dbraw/zinc/57/94/62/490579462.db2.gz PQPLULMVTDORND-SECBINFHSA-N 1 0 211.309 0.954 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1ccccc1Cl ZINC000491622940 491079429 /nfs/dbraw/zinc/07/94/29/491079429.db2.gz JKKDRMSVHHBUQV-CABZTGNLSA-N 1 0 239.702 0.957 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000302422858 491085867 /nfs/dbraw/zinc/08/58/67/491085867.db2.gz RDNYPLUWGZAIAF-ZDUSSCGKSA-N 1 0 248.326 0.875 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000669128827 491089659 /nfs/dbraw/zinc/08/96/59/491089659.db2.gz OFOWBYNMLKRAKV-AXFHLTTASA-N 1 0 226.320 0.474 20 30 BCEDRO C=C1CCN(C(=O)[C@]23C[NH2+]C[C@H]2COC3)CC1 ZINC000653174240 491128010 /nfs/dbraw/zinc/12/80/10/491128010.db2.gz UQWMFKSJLNOGKI-AAEUAGOBSA-N 1 0 236.315 0.401 20 30 BCEDRO C#CC1(O)CN(C(=O)C[N@@H+](C)CC(C)(C)C)C1 ZINC000890527697 582467855 /nfs/dbraw/zinc/46/78/55/582467855.db2.gz XHUQMWIALQQGCH-UHFFFAOYSA-N 1 0 238.331 0.171 20 30 BCEDRO C#C[C@@H]1CCCCN1C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000890650955 582492499 /nfs/dbraw/zinc/49/24/99/582492499.db2.gz UFEJNCRYWGTMJU-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890880729 582584907 /nfs/dbraw/zinc/58/49/07/582584907.db2.gz FJYQYMNOGUNNQB-SNVBAGLBSA-N 1 0 228.336 0.580 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C(=O)OC)[C@H](C2CC2)C1 ZINC000844474617 582594520 /nfs/dbraw/zinc/59/45/20/582594520.db2.gz ABWWFLXFSKDZOE-WDEREUQCSA-N 1 0 207.273 0.751 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)NCCCC#N ZINC000487023763 533902088 /nfs/dbraw/zinc/90/20/88/533902088.db2.gz SSALHWUDZNPMSP-VHSXEESVSA-N 1 0 209.293 0.604 20 30 BCEDRO COC(=O)NCC[NH2+]C[C@H](C#N)CCC#N ZINC000496042744 534120264 /nfs/dbraw/zinc/12/02/64/534120264.db2.gz INBYPVOKKIZZML-VIFPVBQESA-N 1 0 224.264 0.376 20 30 BCEDRO COC(=O)NCC[NH2+]C[C@@H](C#N)CCC#N ZINC000496042743 534120940 /nfs/dbraw/zinc/12/09/40/534120940.db2.gz INBYPVOKKIZZML-SECBINFHSA-N 1 0 224.264 0.376 20 30 BCEDRO C#CCCCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891672814 582708136 /nfs/dbraw/zinc/70/81/36/582708136.db2.gz SIPJKTPLMAHLJJ-PHIMTYICSA-N 1 0 223.320 0.826 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC(C)(C)C#N ZINC000891766770 582718127 /nfs/dbraw/zinc/71/81/27/582718127.db2.gz WKGJOAJRUSYINJ-BDAKNGLRSA-N 1 0 224.308 0.667 20 30 BCEDRO CC#CCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891813220 582725610 /nfs/dbraw/zinc/72/56/10/582725610.db2.gz ISOYRJZOWROLSD-RYUDHWBXSA-N 1 0 235.331 0.936 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000354341161 535970699 /nfs/dbraw/zinc/97/06/99/535970699.db2.gz SPGQMZUNRRHVFZ-NWDGAFQWSA-N 1 0 241.335 0.355 20 30 BCEDRO C=CCONC(=O)NCCC(C)(C)[NH3+] ZINC000891942846 582741989 /nfs/dbraw/zinc/74/19/89/582741989.db2.gz GYSWHDVTTKIMQJ-UHFFFAOYSA-N 1 0 201.270 0.531 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(N)=O ZINC000280691404 534323869 /nfs/dbraw/zinc/32/38/69/534323869.db2.gz BFJFJLCRAABLHQ-SCVCMEIPSA-N 1 0 226.320 0.821 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=[NH2+])N(C)C ZINC000280478331 534345217 /nfs/dbraw/zinc/34/52/17/534345217.db2.gz ADYFHCSXMMFGLQ-NXEZZACHSA-N 1 0 211.309 0.844 20 30 BCEDRO CNC(=[NH2+])NCc1cccc(N(C)C)n1 ZINC000261690565 536304888 /nfs/dbraw/zinc/30/48/88/536304888.db2.gz RVBZFNBNPJZWKU-UHFFFAOYSA-N 1 0 207.281 0.182 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C12CCCC2 ZINC000261701609 536305201 /nfs/dbraw/zinc/30/52/01/536305201.db2.gz UATQCZQUFHUHHP-OPRDCNLKSA-N 1 0 223.320 0.868 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC([NH+](C)C)C1 ZINC000336106355 534356237 /nfs/dbraw/zinc/35/62/37/534356237.db2.gz OQWWNIQJERWFOE-VXGBXAGGSA-N 1 0 238.331 0.740 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=[NH2+])N(C)C ZINC000280479525 534361265 /nfs/dbraw/zinc/36/12/65/534361265.db2.gz ADYFHCSXMMFGLQ-VHSXEESVSA-N 1 0 211.309 0.844 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C1CC[NH+](C)CC1 ZINC000342164015 534385639 /nfs/dbraw/zinc/38/56/39/534385639.db2.gz PAONXXUGATXJFR-NSHDSACASA-N 1 0 240.347 0.629 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342375916 534396455 /nfs/dbraw/zinc/39/64/55/534396455.db2.gz XHOKJTVENSLCRE-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO CCOCCCNC(=[NH2+])NCCCOC ZINC000104152682 582791837 /nfs/dbraw/zinc/79/18/37/582791837.db2.gz PANDBDKHILMNAX-UHFFFAOYSA-N 1 0 217.313 0.354 20 30 BCEDRO C=C(Cl)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000371823419 534436955 /nfs/dbraw/zinc/43/69/55/534436955.db2.gz QTYXGVMIAPSVAA-JTQLQIEISA-N 1 0 216.712 0.755 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NC2CC2)nn1 ZINC000263014053 534451054 /nfs/dbraw/zinc/45/10/54/534451054.db2.gz CRJNKWJIOBDIRA-UHFFFAOYSA-N 1 0 220.280 0.031 20 30 BCEDRO C=CCn1nnnc1SC[C@@H](C)[NH+](C)C ZINC000358857487 534476976 /nfs/dbraw/zinc/47/69/76/534476976.db2.gz ZIRCKWQSXCTCCS-MRVPVSSYSA-N 1 0 227.337 0.901 20 30 BCEDRO C=CCn1nnnc1SC[C@H](C)[NH+](C)C ZINC000358857489 534477389 /nfs/dbraw/zinc/47/73/89/534477389.db2.gz ZIRCKWQSXCTCCS-QMMMGPOBSA-N 1 0 227.337 0.901 20 30 BCEDRO C=C[C@@H](C)NC(=O)CN1CC[NH+](CC)CC1 ZINC000362610459 534480972 /nfs/dbraw/zinc/48/09/72/534480972.db2.gz GPULWDGTHVCXBX-LLVKDONJSA-N 1 0 225.336 0.315 20 30 BCEDRO C=C[C@@H](C)NS(=O)(=O)CC[NH+](CC)CC ZINC000352069689 534508718 /nfs/dbraw/zinc/50/87/18/534508718.db2.gz YXLGHEDBVSMYAD-SNVBAGLBSA-N 1 0 234.365 0.822 20 30 BCEDRO C=CC1CCN(C(=O)[C@@H](C[NH3+])OC)CC1 ZINC000261563579 534526098 /nfs/dbraw/zinc/52/60/98/534526098.db2.gz BYLSKIXQWTYPOB-SNVBAGLBSA-N 1 0 212.293 0.385 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000356835892 534529738 /nfs/dbraw/zinc/52/97/38/534529738.db2.gz MPCXLBLMIOTIHC-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCOC[C@H]1CCOC1 ZINC000849006514 582822216 /nfs/dbraw/zinc/82/22/16/582822216.db2.gz CCRUNJQROBVNJJ-NSHDSACASA-N 1 0 241.335 0.730 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cnc(N(C)C)s1 ZINC000289756255 534542673 /nfs/dbraw/zinc/54/26/73/534542673.db2.gz HWZVSXPSRIRXBJ-QMMMGPOBSA-N 1 0 227.333 0.846 20 30 BCEDRO C=CCCC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000165644024 534610371 /nfs/dbraw/zinc/61/03/71/534610371.db2.gz YSPPWKWNAZIRPE-QWRGUYRKSA-N 1 0 226.320 0.917 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000362380327 534643455 /nfs/dbraw/zinc/64/34/55/534643455.db2.gz PONMOHIQZQRZOZ-QWRGUYRKSA-N 1 0 240.351 0.106 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCc1cc(C(N)=O)co1 ZINC000262449453 534663520 /nfs/dbraw/zinc/66/35/20/534663520.db2.gz DXMMZBOQSAXWMC-UHFFFAOYSA-N 1 0 238.291 0.581 20 30 BCEDRO C=C[C@H](C)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000336444881 534665672 /nfs/dbraw/zinc/66/56/72/534665672.db2.gz NKRYESFKLHBKHF-QTZUAFFRSA-N 1 0 237.303 0.671 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000291246606 534679927 /nfs/dbraw/zinc/67/99/27/534679927.db2.gz LNTMGECQRODCBA-NXEZZACHSA-N 1 0 229.324 0.173 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000356856898 534680870 /nfs/dbraw/zinc/68/08/70/534680870.db2.gz DYLJRKKOOBCBRH-VXGBXAGGSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H](CCC)[NH+](C)C ZINC000356855203 534681056 /nfs/dbraw/zinc/68/10/56/534681056.db2.gz NEDLCAGCJZUEIN-NXEZZACHSA-N 1 0 214.309 0.380 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000297403003 534705156 /nfs/dbraw/zinc/70/51/56/534705156.db2.gz XRYCECGSWZIBMB-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO CC#CC[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000373410853 534707902 /nfs/dbraw/zinc/70/79/02/534707902.db2.gz DCHQECYTNORNSB-UHFFFAOYSA-N 1 0 229.287 0.810 20 30 BCEDRO CC#CC[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000374754933 534708539 /nfs/dbraw/zinc/70/85/39/534708539.db2.gz ZXIOXTVSKLANQU-UHFFFAOYSA-N 1 0 249.358 0.248 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178906868 534785916 /nfs/dbraw/zinc/78/59/16/534785916.db2.gz JXZXZBXLTPSLKK-VIFPVBQESA-N 1 0 218.322 0.173 20 30 BCEDRO C=CCC[C@H](O)C[NH2+]C1(CO)CCOCC1 ZINC000309522583 534806226 /nfs/dbraw/zinc/80/62/26/534806226.db2.gz UIELEAQSVPYVIB-NSHDSACASA-N 1 0 229.320 0.445 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336342208 534817549 /nfs/dbraw/zinc/81/75/49/534817549.db2.gz AOEJDKKWFGGDSC-SECBINFHSA-N 1 0 218.322 0.138 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](CO)C(C)C ZINC000362176598 534821994 /nfs/dbraw/zinc/82/19/94/534821994.db2.gz HCNVJBJZRVQJRL-LBPRGKRZSA-N 1 0 240.347 0.794 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(OC)c(O)c1 ZINC000264131953 534843949 /nfs/dbraw/zinc/84/39/49/534843949.db2.gz YFKYFVOZCQOFRK-UHFFFAOYSA-N 1 0 235.287 0.991 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000183983326 534859720 /nfs/dbraw/zinc/85/97/20/534859720.db2.gz QKEPUIFLONXULE-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1[C@@H](C)[C@H](OC)C1(C)C ZINC000355330517 534859350 /nfs/dbraw/zinc/85/93/50/534859350.db2.gz XVCNBAMWAXSNTH-JLLWLGSASA-N 1 0 240.347 0.938 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1[C@H](C)[C@@H](OC)C1(C)C ZINC000355330523 534859558 /nfs/dbraw/zinc/85/95/58/534859558.db2.gz XVCNBAMWAXSNTH-MVWJERBFSA-N 1 0 240.347 0.938 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000262155742 534860098 /nfs/dbraw/zinc/86/00/98/534860098.db2.gz GHPZZMRNICNFSS-ZJUUUORDSA-N 1 0 209.293 0.708 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000371508525 534860303 /nfs/dbraw/zinc/86/03/03/534860303.db2.gz KCIFDCDFPCXNMX-MNOVXSKESA-N 1 0 223.320 0.908 20 30 BCEDRO C=CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000262212140 534861151 /nfs/dbraw/zinc/86/11/51/534861151.db2.gz LSWQVTJEHQHSIA-AXFHLTTASA-N 1 0 223.320 0.941 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000354954329 534869011 /nfs/dbraw/zinc/86/90/11/534869011.db2.gz NQIMECSDWWMYKO-NSHDSACASA-N 1 0 226.320 0.599 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000357421626 534870113 /nfs/dbraw/zinc/87/01/13/534870113.db2.gz NMZCOXATLGXWFK-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCOCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000342478273 534870377 /nfs/dbraw/zinc/87/03/77/534870377.db2.gz RDVMXOPDIJSHBG-JQWIXIFHSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCOCC[N@@H+](CCC)CC(N)=O ZINC000339213045 534876951 /nfs/dbraw/zinc/87/69/51/534876951.db2.gz OIPVWRBYQXOAGH-UHFFFAOYSA-N 1 0 200.282 0.386 20 30 BCEDRO C=CCOCCC[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000348195989 534874926 /nfs/dbraw/zinc/87/49/26/534874926.db2.gz ZYIDAAGPNHBRKJ-VXGBXAGGSA-N 1 0 231.336 0.643 20 30 BCEDRO C=CCOCC[N@@H+](CCOC)[C@@H]1CCOC1 ZINC000339134593 534877589 /nfs/dbraw/zinc/87/75/89/534877589.db2.gz DXYCUJPPAZOBEI-GFCCVEGCSA-N 1 0 229.320 0.926 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3cc(C#N)ccn3)C[C@H]21 ZINC000408107385 536439488 /nfs/dbraw/zinc/43/94/88/536439488.db2.gz OOSLYDRAILHTHI-VXGBXAGGSA-N 1 0 244.298 0.472 20 30 BCEDRO C=C(C)C[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000305195460 526606204 /nfs/dbraw/zinc/60/62/04/526606204.db2.gz DOHZGPGWKNEJQB-LLVKDONJSA-N 1 0 227.304 0.808 20 30 BCEDRO C=CCOCCC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000495512811 526756994 /nfs/dbraw/zinc/75/69/94/526756994.db2.gz QSBMHCKYWWODMH-LLVKDONJSA-N 1 0 240.303 0.716 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1c(C)cnn1C ZINC000491639953 526822543 /nfs/dbraw/zinc/82/25/43/526822543.db2.gz XINCEFQAJYRNKN-UHFFFAOYSA-N 1 0 248.330 0.413 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)CN1C[C@H](C)O[C@@H](C)C1 ZINC000491773117 526829083 /nfs/dbraw/zinc/82/90/83/526829083.db2.gz ABPKNWCXHGGURQ-AVGNSLFASA-N 1 0 240.347 0.022 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)CN1C[C@@H](C)O[C@H](C)C1 ZINC000491773119 526830526 /nfs/dbraw/zinc/83/05/26/526830526.db2.gz ABPKNWCXHGGURQ-UPJWGTAASA-N 1 0 240.347 0.022 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC[NH+](CC)CC ZINC000490676268 526855919 /nfs/dbraw/zinc/85/59/19/526855919.db2.gz HDRLTBCFQNEJIK-UHFFFAOYSA-N 1 0 249.358 0.996 20 30 BCEDRO C#CC[N@H+](CCN1C[C@H]2CC[C@@H](C1)O2)C1CC1 ZINC000491638807 526900791 /nfs/dbraw/zinc/90/07/91/526900791.db2.gz WJITXBJBDGZMTF-OKILXGFUSA-N 1 0 234.343 0.947 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OC[C@@H](C)OC)CC1 ZINC000490893193 526935374 /nfs/dbraw/zinc/93/53/74/526935374.db2.gz RWUCMCOKRDITIL-LLVKDONJSA-N 1 0 239.315 0.910 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(C)(CO)CC1 ZINC000491731671 526975921 /nfs/dbraw/zinc/97/59/21/526975921.db2.gz AYWNREQNHXANQZ-UHFFFAOYSA-N 1 0 238.331 0.220 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@@H](C)F ZINC000491484563 526981485 /nfs/dbraw/zinc/98/14/85/526981485.db2.gz JJTCSPHAAGAJOW-SECBINFHSA-N 1 0 200.257 0.464 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC1(C)CC1 ZINC000491526428 526981691 /nfs/dbraw/zinc/98/16/91/526981691.db2.gz ZFKLYYYNHFRRBY-UHFFFAOYSA-N 1 0 208.305 0.906 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)C[C@H](C)O ZINC000491678822 526982698 /nfs/dbraw/zinc/98/26/98/526982698.db2.gz VDOCQFYNASQAAM-QWRGUYRKSA-N 1 0 226.320 0.123 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[C@H](O)C1 ZINC000491646210 526982912 /nfs/dbraw/zinc/98/29/12/526982912.db2.gz RUEKHNBKFPLHSM-NEPJUHHUSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCCC[C@H]1O ZINC000491639290 526986464 /nfs/dbraw/zinc/98/64/64/526986464.db2.gz WQAACKINXYJRAG-VXGBXAGGSA-N 1 0 238.331 0.409 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)[C@@H](O)C(C)C ZINC000491674914 526986476 /nfs/dbraw/zinc/98/64/76/526986476.db2.gz LFDJFLYLZHYAMM-AAEUAGOBSA-N 1 0 240.347 0.511 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000491759470 526987159 /nfs/dbraw/zinc/98/71/59/526987159.db2.gz MONMCGAWSWPZOB-WOPDTQHZSA-N 1 0 220.316 0.904 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCC[C@@H]1OC ZINC000491068175 526987565 /nfs/dbraw/zinc/98/75/65/526987565.db2.gz MZBXYVDNQLXFMU-RYUDHWBXSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCOC(C)(C)C1 ZINC000491676080 526987814 /nfs/dbraw/zinc/98/78/14/526987814.db2.gz YLWAGYPKGGPSRV-NSHDSACASA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)C[C@@H](C)C1CC[NH2+]CC1 ZINC000491812344 527004799 /nfs/dbraw/zinc/00/47/99/527004799.db2.gz DTFNCWPJSWIXTR-SNVBAGLBSA-N 1 0 208.305 0.762 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000491451088 527012294 /nfs/dbraw/zinc/01/22/94/527012294.db2.gz DMKNTQGFGQWXDK-BDAKNGLRSA-N 1 0 225.292 0.032 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCC1(C)C ZINC000309039797 527022183 /nfs/dbraw/zinc/02/21/83/527022183.db2.gz IZWMKLSKRPQJFO-NXEZZACHSA-N 1 0 208.305 0.903 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000487122066 527204426 /nfs/dbraw/zinc/20/44/26/527204426.db2.gz XWSKXFBBNSFDOP-GMTAPVOTSA-N 1 0 226.320 0.237 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000491666046 527205192 /nfs/dbraw/zinc/20/51/92/527205192.db2.gz LNVBFTAUJMUSQQ-BDAKNGLRSA-N 1 0 245.273 0.647 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@@H](C)C[NH3+] ZINC000491339915 527253664 /nfs/dbraw/zinc/25/36/64/527253664.db2.gz UEVUQOIJGLRNDC-UWVGGRQHSA-N 1 0 211.309 0.682 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC1CC[NH2+]CC1 ZINC000491808486 527253591 /nfs/dbraw/zinc/25/35/91/527253591.db2.gz VUPUBVDZTYHXPM-JTQLQIEISA-N 1 0 223.320 0.840 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N[C@@H](C)CC[NH3+] ZINC000491340712 527254781 /nfs/dbraw/zinc/25/47/81/527254781.db2.gz ZQEHKEMGSUYKGE-UWVGGRQHSA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000491779657 527260485 /nfs/dbraw/zinc/26/04/85/527260485.db2.gz JZGQYRGQXGBSML-STQMWFEESA-N 1 0 219.284 0.174 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@](C)(O)C(=O)OCC ZINC000491624577 527332576 /nfs/dbraw/zinc/33/25/76/527332576.db2.gz IECHNCXEZFOKTG-ONGXEEELSA-N 1 0 213.277 0.254 20 30 BCEDRO C#C[C@H](CC)[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000491758746 527361626 /nfs/dbraw/zinc/36/16/26/527361626.db2.gz JPRNWGKZGOGWLX-LLVKDONJSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1ccccc1 ZINC000491415128 527376455 /nfs/dbraw/zinc/37/64/55/527376455.db2.gz GPMUUKZCRPIZIR-NEPJUHHUSA-N 1 0 205.257 0.304 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1 ZINC000491453910 527376866 /nfs/dbraw/zinc/37/68/66/527376866.db2.gz UKTSRKWHLIAQOL-NEPJUHHUSA-N 1 0 235.283 0.010 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H](C)C[NH2+]C)C(C)C ZINC000491640982 527393444 /nfs/dbraw/zinc/39/34/44/527393444.db2.gz ZAJKGERJSVMQPE-QWRGUYRKSA-N 1 0 225.336 0.799 20 30 BCEDRO C=C[C@@H](C)NC(=O)NCCOCC[NH+](C)C ZINC000471659039 527405295 /nfs/dbraw/zinc/40/52/95/527405295.db2.gz OSWXOTYVPWRPKU-SNVBAGLBSA-N 1 0 229.324 0.438 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)/C=C/C[NH+](C)C ZINC000493653349 527467776 /nfs/dbraw/zinc/46/77/76/527467776.db2.gz OGTFXDASCZFWMO-LXSSAFMLSA-N 1 0 226.320 0.548 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000487999732 527493229 /nfs/dbraw/zinc/49/32/29/527493229.db2.gz BXEKUKVEUAIVPK-SDDRHHMPSA-N 1 0 229.320 0.659 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])N[C@@H]1C[C@H]1C1CC1 ZINC000262439787 536520816 /nfs/dbraw/zinc/52/08/16/536520816.db2.gz NTGPMPZMDXLBCR-FKTZTGRPSA-N 1 0 211.309 0.724 20 30 BCEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)[C@@H](C)C#N ZINC000488163292 528034887 /nfs/dbraw/zinc/03/48/87/528034887.db2.gz FEEYMWRKVNQYLS-WDEREUQCSA-N 1 0 241.335 0.619 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892557841 582913160 /nfs/dbraw/zinc/91/31/60/582913160.db2.gz ATZZFWGCMOPBHJ-BBBLOLIVSA-N 1 0 209.293 0.387 20 30 BCEDRO CC(C)[N@H+](CC(=O)NCC#N)[C@H]1CCOC1 ZINC000361402609 535037880 /nfs/dbraw/zinc/03/78/80/535037880.db2.gz JZNNITZCKWWVQX-JTQLQIEISA-N 1 0 225.292 0.125 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@]1(N(C)C)CCSC1 ZINC000262487123 535125149 /nfs/dbraw/zinc/12/51/49/535125149.db2.gz SUHLSORCTSIYBC-LLVKDONJSA-N 1 0 244.408 0.736 20 30 BCEDRO CCC(O)(CC)CCNC1=[NH+]C[C@H](C)N1 ZINC000262681920 535195090 /nfs/dbraw/zinc/19/50/90/535195090.db2.gz WNYULETZFZRNEC-VIFPVBQESA-N 1 0 213.325 0.865 20 30 BCEDRO CC(C)[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000301841284 535203690 /nfs/dbraw/zinc/20/36/90/535203690.db2.gz PNGLNANQCROSMS-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO CC(C)[N@@H+]1CCO[C@H](C(=O)N(C)CCC#N)C1 ZINC000377073625 535215004 /nfs/dbraw/zinc/21/50/04/535215004.db2.gz OZIHELCTKUGUHE-NSHDSACASA-N 1 0 239.319 0.468 20 30 BCEDRO CCC(N)=[NH+]OCc1ccc(C(N)=O)cc1 ZINC000298772136 535226938 /nfs/dbraw/zinc/22/69/38/535226938.db2.gz GHOCKEPTIHPMGN-UHFFFAOYSA-N 1 0 221.260 0.984 20 30 BCEDRO CCCCNC(=[NH2+])NCc1nccn1C ZINC000264257686 535261981 /nfs/dbraw/zinc/26/19/81/535261981.db2.gz IKMRKPKXDQERNE-UHFFFAOYSA-N 1 0 209.297 0.625 20 30 BCEDRO CC[NH+]=C(NCCO)NC[C@@H]1CCCS1 ZINC000261982785 535262256 /nfs/dbraw/zinc/26/22/56/535262256.db2.gz PIJYEGJCQZBCGU-VIFPVBQESA-N 1 0 231.365 0.429 20 30 BCEDRO CC[NH+]=C(NCCO)NC[C@H]1CCCS1 ZINC000261982782 535262280 /nfs/dbraw/zinc/26/22/80/535262280.db2.gz PIJYEGJCQZBCGU-SECBINFHSA-N 1 0 231.365 0.429 20 30 BCEDRO CC[NH+]=C(NCCn1cncn1)N[C@@H]1C[C@H]1C ZINC000262696578 535262738 /nfs/dbraw/zinc/26/27/38/535262738.db2.gz DYPWVEVDVANQAS-NXEZZACHSA-N 1 0 236.323 0.242 20 30 BCEDRO CC[NH+]=C(NCCn1cncn1)N[C@@H]1C[C@@H]1C ZINC000262696580 535262806 /nfs/dbraw/zinc/26/28/06/535262806.db2.gz DYPWVEVDVANQAS-VHSXEESVSA-N 1 0 236.323 0.242 20 30 BCEDRO CC[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[C@@H]1C ZINC000262463643 535265038 /nfs/dbraw/zinc/26/50/38/535265038.db2.gz GCDMWJHKHLIUNZ-IONNQARKSA-N 1 0 237.307 0.842 20 30 BCEDRO CC(C)(O)C[N@@H+]1CCCN(C(=O)CC#N)CC1 ZINC000364075424 535304499 /nfs/dbraw/zinc/30/44/99/535304499.db2.gz SOUHRQLSVQESAB-UHFFFAOYSA-N 1 0 239.319 0.205 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000264145924 535389647 /nfs/dbraw/zinc/38/96/47/535389647.db2.gz XTNJTOBQRHBDDA-UHFFFAOYSA-N 1 0 248.330 0.942 20 30 BCEDRO CCNC(=O)c1cccc(CNC(=[NH2+])NC)c1 ZINC000264085320 535440778 /nfs/dbraw/zinc/44/07/78/535440778.db2.gz JDTPHTJOHXSKSN-UHFFFAOYSA-N 1 0 234.303 0.470 20 30 BCEDRO CC[N@@H+]1CCCN(C(=O)NC[C@@H](C)C#N)CC1 ZINC000335323939 535513840 /nfs/dbraw/zinc/51/38/40/535513840.db2.gz KWEOLJHKUKFJKK-NSHDSACASA-N 1 0 238.335 0.883 20 30 BCEDRO CC[NH+](CC)CCS(=O)(=O)N[C@@H](C)CC#N ZINC000352256078 535565107 /nfs/dbraw/zinc/56/51/07/535565107.db2.gz JAIXVWVPAIWAQE-JTQLQIEISA-N 1 0 247.364 0.550 20 30 BCEDRO CC[N@H+](CCNS(=O)(=O)[C@H](C)C#N)C1CC1 ZINC000218105934 535740156 /nfs/dbraw/zinc/74/01/56/535740156.db2.gz DVJJDWQDMMQIAB-SECBINFHSA-N 1 0 245.348 0.302 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NCC[NH+](C)C ZINC000175518798 535889424 /nfs/dbraw/zinc/88/94/24/535889424.db2.gz ITTVCPGXGNGLNB-UHFFFAOYSA-N 1 0 220.276 0.188 20 30 BCEDRO CCc1noc(CC)c1CNC(=[NH2+])NC ZINC000267922942 535891163 /nfs/dbraw/zinc/89/11/63/535891163.db2.gz KHGZQRZNAJFOQZ-UHFFFAOYSA-N 1 0 210.281 0.834 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000355552718 535969586 /nfs/dbraw/zinc/96/95/86/535969586.db2.gz FORCIFTZHFIXHR-LOWVWBTDSA-N 1 0 235.331 0.946 20 30 BCEDRO CN(C)C1(CNC(=[NH2+])N2CCSCC2)CC1 ZINC000263119819 536111334 /nfs/dbraw/zinc/11/13/34/536111334.db2.gz LYCIZMZPSBVPBI-UHFFFAOYSA-N 1 0 242.392 0.444 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCC1(S(C)(=O)=O)CC1 ZINC000262376290 536145760 /nfs/dbraw/zinc/14/57/60/536145760.db2.gz NBDGZDNDEOEITK-QMMMGPOBSA-N 1 0 247.364 0.266 20 30 BCEDRO CN/C(N)=[NH+]/Cc1cn2ccsc2n1 ZINC000261727723 536305173 /nfs/dbraw/zinc/30/51/73/536305173.db2.gz GWZWVPWNXDUNCA-UHFFFAOYSA-N 1 0 209.278 0.430 20 30 BCEDRO C[NH+]=C(NC[C@]1(CCO)CCOC1)NC1CC1 ZINC000261987214 536304285 /nfs/dbraw/zinc/30/42/85/536304285.db2.gz QKNVKHKMDNTQDX-LBPRGKRZSA-N 1 0 241.335 0.103 20 30 BCEDRO C[NH+]=C(NC[C@@H](O)C(F)(F)F)NC1CC1 ZINC000262148863 536304307 /nfs/dbraw/zinc/30/43/07/536304307.db2.gz QUOOLZDIYZDQOA-ZCFIWIBFSA-N 1 0 225.214 0.237 20 30 BCEDRO CNC(=[NH2+])NCc1cccnc1OCCOC ZINC000264094664 536305051 /nfs/dbraw/zinc/30/50/51/536305051.db2.gz MAWAPGOKRLSXON-UHFFFAOYSA-N 1 0 238.291 0.141 20 30 BCEDRO CNC(=[NH2+])NCc1nnc(C(C)(C)C)s1 ZINC000262001878 536305117 /nfs/dbraw/zinc/30/51/17/536305117.db2.gz UNOUHNSDGDWUGF-UHFFFAOYSA-N 1 0 227.337 0.870 20 30 BCEDRO CNC(=[NH2+])NCc1cccc(-c2nc[nH]n2)c1 ZINC000304199937 536305133 /nfs/dbraw/zinc/30/51/33/536305133.db2.gz AAUXCHKEEDDYMO-UHFFFAOYSA-N 1 0 230.275 0.506 20 30 BCEDRO CN1C(=O)CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1=O ZINC000333551959 536310205 /nfs/dbraw/zinc/31/02/05/536310205.db2.gz JOYSLODJIPWJGJ-UTLUCORTSA-N 1 0 235.287 0.416 20 30 BCEDRO C[N@H+](CCC1CCOCC1)CC(=O)NCC#N ZINC000120534917 536326503 /nfs/dbraw/zinc/32/65/03/536326503.db2.gz APBBJXKYBRYQLM-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO CN(CCC[NH+]1CCCC1)C(=O)CC#N ZINC000343788431 536345432 /nfs/dbraw/zinc/34/54/32/536345432.db2.gz ZFHXFAHICQYSDX-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO C[N@H+](CCOCCO)[C@@H]1CC[C@H](C#N)C1 ZINC000339155325 536396333 /nfs/dbraw/zinc/39/63/33/536396333.db2.gz BRAGEZLWRMBMHH-WDEREUQCSA-N 1 0 212.293 0.619 20 30 BCEDRO COC(=O)[C@H](C)CNC(=[NH2+])N1CCSCC1 ZINC000261973129 536590079 /nfs/dbraw/zinc/59/00/79/536590079.db2.gz DXYGMLLIRKNKRQ-MRVPVSSYSA-N 1 0 245.348 0.159 20 30 BCEDRO COC1(CCNC2=[NH+]C[C@@H](C)N2)CCC1 ZINC000261556755 536607044 /nfs/dbraw/zinc/60/70/44/536607044.db2.gz QZHKFFZMCFAIAL-SECBINFHSA-N 1 0 211.309 0.883 20 30 BCEDRO COc1cc(CNC2=[NH+]CCN2C)ccn1 ZINC000261579586 536710927 /nfs/dbraw/zinc/71/09/27/536710927.db2.gz MJBLGSPTMGJBCB-UHFFFAOYSA-N 1 0 220.276 0.481 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262514498 536852640 /nfs/dbraw/zinc/85/26/40/536852640.db2.gz FPXWPQMGKXKXRY-BBBLOLIVSA-N 1 0 241.335 0.351 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262514501 536852710 /nfs/dbraw/zinc/85/27/10/536852710.db2.gz FPXWPQMGKXKXRY-IVZWLZJFSA-N 1 0 241.335 0.351 20 30 BCEDRO COc1ccccc1OC[C@H](C)CNC(N)=[NH2+] ZINC000270592311 537097268 /nfs/dbraw/zinc/09/72/68/537097268.db2.gz IUMQWALQNYQMAH-SECBINFHSA-N 1 0 237.303 0.984 20 30 BCEDRO COc1cccc(N2CC[C@@H](CNC(N)=[NH2+])C2)c1 ZINC000264077113 537126275 /nfs/dbraw/zinc/12/62/75/537126275.db2.gz FZXGZMHZUOXPSX-JTQLQIEISA-N 1 0 248.330 0.795 20 30 BCEDRO COc1ncccc1CNC1=[NH+]C[C@H](C)N1 ZINC000261571037 537156518 /nfs/dbraw/zinc/15/65/18/537156518.db2.gz HIJJOAWEOGVARE-QMMMGPOBSA-N 1 0 220.276 0.528 20 30 BCEDRO COc1ncccc1CNC1=[NH+]C[C@@H](C)N1 ZINC000261571036 537156849 /nfs/dbraw/zinc/15/68/49/537156849.db2.gz HIJJOAWEOGVARE-MRVPVSSYSA-N 1 0 220.276 0.528 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]([C@H]2CC[NH2+]C2)C1 ZINC000491633159 566451845 /nfs/dbraw/zinc/45/18/45/566451845.db2.gz RJZCJPIUYPDLDC-RYUDHWBXSA-N 1 0 235.331 0.651 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[N@@H+]3CC[C@H]2C3)[nH]1 ZINC000597708684 566457042 /nfs/dbraw/zinc/45/70/42/566457042.db2.gz NXNAYDRGJVGWRS-JTQLQIEISA-N 1 0 230.271 0.416 20 30 BCEDRO CC(C)([NH3+])CCNC(=O)N1CC[C@](F)(C#N)C1 ZINC000892853497 582996767 /nfs/dbraw/zinc/99/67/67/582996767.db2.gz FWCGDGCNFMXRDP-NSHDSACASA-N 1 0 242.298 0.761 20 30 BCEDRO C#CCCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000893303281 583094928 /nfs/dbraw/zinc/09/49/28/583094928.db2.gz MPDYMXHKBKICLD-NEPJUHHUSA-N 1 0 235.331 0.745 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@H]1C=CCC1 ZINC000855424367 583103552 /nfs/dbraw/zinc/10/35/52/583103552.db2.gz QIENMDLYQLXMLG-RYUDHWBXSA-N 1 0 218.300 0.919 20 30 BCEDRO C#CCOCCSc1nc(N)cc(N)[nH+]1 ZINC000853012771 588715533 /nfs/dbraw/zinc/71/55/33/588715533.db2.gz FNKXSXRKMNTCCI-UHFFFAOYSA-N 1 0 224.289 0.383 20 30 BCEDRO CNC(NCC(C)(C)[C@]1(O)CCCOC1)=[NH+]C ZINC000853013350 588715729 /nfs/dbraw/zinc/71/57/29/588715729.db2.gz XNAMEMPTRXABTR-LBPRGKRZSA-N 1 0 243.351 0.349 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)c1ccccn1 ZINC000853108957 588720928 /nfs/dbraw/zinc/72/09/28/588720928.db2.gz KLDDVOBJRYHAMP-JQWIXIFHSA-N 1 0 220.272 0.089 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853110457 588721214 /nfs/dbraw/zinc/72/12/14/588721214.db2.gz ZXMWZZFIKMOXTD-CMPLNLGQSA-N 1 0 222.288 0.642 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853111391 588721363 /nfs/dbraw/zinc/72/13/63/588721363.db2.gz UKCZACGFMJQNRI-WCQYABFASA-N 1 0 234.299 0.479 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CC)C1CCOCC1 ZINC000853116035 588721470 /nfs/dbraw/zinc/72/14/70/588721470.db2.gz PDDGYODVONZTFN-NEPJUHHUSA-N 1 0 211.305 0.775 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)C1CC1)C1CCOCC1 ZINC000853115914 588721488 /nfs/dbraw/zinc/72/14/88/588721488.db2.gz DMXHBUMSWLBSDK-STQMWFEESA-N 1 0 223.316 0.775 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)COC)C1CCOCC1 ZINC000853117598 588721522 /nfs/dbraw/zinc/72/15/22/588721522.db2.gz XSKDMCYCOZUZKE-VXGBXAGGSA-N 1 0 227.304 0.012 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)COCC)C1CCOCC1 ZINC000853117377 588721537 /nfs/dbraw/zinc/72/15/37/588721537.db2.gz VCBXLBIFNRWNKT-QWHCGFSZSA-N 1 0 241.331 0.402 20 30 BCEDRO COCCON=C(N)C[N@@H+]1CCCC[C@H]1C ZINC000111179331 588727670 /nfs/dbraw/zinc/72/76/70/588727670.db2.gz IMMQTTHCJCVXRE-SNVBAGLBSA-N 1 0 229.324 0.796 20 30 BCEDRO Cn1ncc(C(F)(F)F)c1C=NNC(N)=[NH2+] ZINC000853287878 588730833 /nfs/dbraw/zinc/73/08/33/588730833.db2.gz XCIQKMLYJBXEQE-UHFFFAOYSA-N 1 0 234.185 0.256 20 30 BCEDRO C[C@H]1CNC(NN=C2CO[C@@H](C3CC3)C2)=[NH+]1 ZINC000853329692 588733610 /nfs/dbraw/zinc/73/36/10/588733610.db2.gz CNUMPXVNWVUUKZ-OIBJUYFYSA-N 1 0 222.292 0.479 20 30 BCEDRO C[C@@H]1CNC(NN=C2COC3(CCC3)C2)=[NH+]1 ZINC000853330593 588733830 /nfs/dbraw/zinc/73/38/30/588733830.db2.gz QBURCHPSRJJHJQ-MRVPVSSYSA-N 1 0 222.292 0.623 20 30 BCEDRO CCCn1nccc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000853330819 588733897 /nfs/dbraw/zinc/73/38/97/588733897.db2.gz WEGXYDATIHINJM-VIFPVBQESA-N 1 0 234.307 0.564 20 30 BCEDRO CC[C@H]1CC(=NNC2=[NH+][C@H](C)CN2)CO1 ZINC000853330740 588733990 /nfs/dbraw/zinc/73/39/90/588733990.db2.gz UUIPKMNYKKLVDR-APPZFPTMSA-N 1 0 210.281 0.479 20 30 BCEDRO Cn1ncc(C2CCC2)c1C=NNC1=[NH+]CCN1 ZINC000853357986 588737828 /nfs/dbraw/zinc/73/78/28/588737828.db2.gz QRCIXJKSZUPWBV-UHFFFAOYSA-N 1 0 246.318 0.570 20 30 BCEDRO C#Cc1cccnc1N1CC([NH+](C)C)C1 ZINC000853460669 588744366 /nfs/dbraw/zinc/74/43/66/588744366.db2.gz NLLRDZZIKWIDRJ-UHFFFAOYSA-N 1 0 201.273 0.813 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000854074887 588772536 /nfs/dbraw/zinc/77/25/36/588772536.db2.gz VNCMTBCRJQMERA-CMPLNLGQSA-N 1 0 241.335 0.010 20 30 BCEDRO COc1cc(C(=O)NCC[NH+](C)C)ccc1C#N ZINC000854144262 588776963 /nfs/dbraw/zinc/77/69/63/588776963.db2.gz AQUIMSNXXKXQSR-UHFFFAOYSA-N 1 0 247.298 0.858 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000854546257 588792948 /nfs/dbraw/zinc/79/29/48/588792948.db2.gz AGBACPRCUHSVTK-NWDGAFQWSA-N 1 0 238.331 0.361 20 30 BCEDRO CC(C)C#CC(=O)NC[C@@H](C)C[NH+](C)C ZINC000854596322 588796455 /nfs/dbraw/zinc/79/64/55/588796455.db2.gz HNZWXSZEMCIQRE-LLVKDONJSA-N 1 0 210.321 0.960 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000854655331 588799680 /nfs/dbraw/zinc/79/96/80/588799680.db2.gz PCHAJOKKGQMTIE-ZJUUUORDSA-N 1 0 212.293 0.086 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)CC#N ZINC000854662854 588799971 /nfs/dbraw/zinc/79/99/71/588799971.db2.gz OLULETYSZSBDKA-NSHDSACASA-N 1 0 221.304 0.607 20 30 BCEDRO C#C[C@@](C)(CC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000854697746 588802805 /nfs/dbraw/zinc/80/28/05/588802805.db2.gz KKQUJMGMXAFRID-JQWIXIFHSA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1nccc(N)n1 ZINC000854761952 588806174 /nfs/dbraw/zinc/80/61/74/588806174.db2.gz JZJOFLASSXTAGT-VIFPVBQESA-N 1 0 249.318 0.354 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COC(C)(C)C1 ZINC000855172516 588825336 /nfs/dbraw/zinc/82/53/36/588825336.db2.gz PWCQXHJHGJZXEW-JTQLQIEISA-N 1 0 226.320 0.788 20 30 BCEDRO CC#CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000855165866 588824830 /nfs/dbraw/zinc/82/48/30/588824830.db2.gz ZMIDMMHITARTBI-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(CO)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855162341 588824891 /nfs/dbraw/zinc/82/48/91/588824891.db2.gz WQSUMNXLKAZRKW-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO CC#CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855284991 588827032 /nfs/dbraw/zinc/82/70/32/588827032.db2.gz ACKXVUZQQPJHSG-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(CO)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855285281 588827233 /nfs/dbraw/zinc/82/72/33/588827233.db2.gz DWMUDZCBKUVHPL-JTQLQIEISA-N 1 0 226.320 0.524 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@H]2CCC[N@H+]2CCC)C1 ZINC000890521602 582463199 /nfs/dbraw/zinc/46/31/99/582463199.db2.gz LRYSMEPXBFANBS-LLVKDONJSA-N 1 0 236.315 0.067 20 30 BCEDRO CCN(C(=O)C=NOC)[C@H]1CC[N@H+](C)C1 ZINC000855361938 588829243 /nfs/dbraw/zinc/82/92/43/588829243.db2.gz WYTDMURVNFOOGG-VIFPVBQESA-N 1 0 213.281 0.171 20 30 BCEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)C=NOC ZINC000804776609 582555130 /nfs/dbraw/zinc/55/51/30/582555130.db2.gz CXLRMSDQMBUGCD-JTQLQIEISA-N 1 0 227.308 0.609 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@@H](C)OC ZINC000804838127 582588727 /nfs/dbraw/zinc/58/87/27/582588727.db2.gz QSTHURCGNMGLHJ-SNVBAGLBSA-N 1 0 214.309 0.598 20 30 BCEDRO C=C[C@H](C)ONC(=O)C1CC[NH+](C)CC1 ZINC000846546737 582656907 /nfs/dbraw/zinc/65/69/07/582656907.db2.gz YNRFSQGBAREMAO-VIFPVBQESA-N 1 0 212.293 0.951 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000868471938 582659036 /nfs/dbraw/zinc/65/90/36/582659036.db2.gz APPGWJRWEBFXEO-SDDRHHMPSA-N 1 0 238.331 0.217 20 30 BCEDRO C#Cc1ccc(C(=O)N(C)CC2C[NH+](C)C2)nc1 ZINC000855638903 588842919 /nfs/dbraw/zinc/84/29/19/588842919.db2.gz XKUWVSVJMMGFIW-UHFFFAOYSA-N 1 0 243.310 0.697 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCCCCC#N ZINC000891512382 582694367 /nfs/dbraw/zinc/69/43/67/582694367.db2.gz MJLZUKNILCGWJV-VHSXEESVSA-N 1 0 224.308 0.811 20 30 BCEDRO C#CCSCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891588491 582700122 /nfs/dbraw/zinc/70/01/22/582700122.db2.gz DBXIDJJOMKNVPY-MGCOHNPYSA-N 1 0 241.360 0.389 20 30 BCEDRO C#CCCCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891672802 582708641 /nfs/dbraw/zinc/70/86/41/582708641.db2.gz SDELSYXOXVVVJK-QWRGUYRKSA-N 1 0 223.320 0.921 20 30 BCEDRO C=CCCOCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891717804 582713953 /nfs/dbraw/zinc/71/39/53/582713953.db2.gz CFPUZRZIWSEVKM-MNOVXSKESA-N 1 0 241.335 0.710 20 30 BCEDRO N#CCCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891769867 582718671 /nfs/dbraw/zinc/71/86/71/582718671.db2.gz RWYHAIOXVSPETA-QWRGUYRKSA-N 1 0 236.319 0.826 20 30 BCEDRO CC#CCCNC(=O)NCc1cc(N)cc[nH+]1 ZINC000891813255 582725098 /nfs/dbraw/zinc/72/50/98/582725098.db2.gz JGZGUOUHTKQQMW-UHFFFAOYSA-N 1 0 232.287 0.876 20 30 BCEDRO C#CCCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891848768 582729894 /nfs/dbraw/zinc/72/98/94/582729894.db2.gz RFXHMDKQVBVMRT-NXEZZACHSA-N 1 0 209.293 0.531 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc3c[nH]nc3c2)N1 ZINC000779791471 582730367 /nfs/dbraw/zinc/73/03/67/582730367.db2.gz JNHDCAULAVGDQV-MRVPVSSYSA-N 1 0 242.286 0.834 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@H]1CCCOC1 ZINC000779794087 582732327 /nfs/dbraw/zinc/73/23/27/582732327.db2.gz CNGPJBBFPRKQIV-SCZZXKLOSA-N 1 0 224.308 0.726 20 30 BCEDRO N#CCC1(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000891870117 582732622 /nfs/dbraw/zinc/73/26/22/582732622.db2.gz PIZRDUZHGLDDSN-AOOOYVTPSA-N 1 0 236.319 0.717 20 30 BCEDRO N#CC1(CNC(=O)N2CCC[C@@H]3[NH2+]CC[C@@H]32)CC1 ZINC000891876992 582733498 /nfs/dbraw/zinc/73/34/98/582733498.db2.gz UQBMTFFDJGFLFX-QWRGUYRKSA-N 1 0 248.330 0.826 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1(C#N)CC1 ZINC000891875155 582733780 /nfs/dbraw/zinc/73/37/80/582733780.db2.gz LDFSEHHSXYNVSP-RKDXNWHRSA-N 1 0 222.292 0.421 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cnccn1 ZINC000779800602 582735176 /nfs/dbraw/zinc/73/51/76/582735176.db2.gz OMLRPBHEWUUYMH-ZETCQYMHSA-N 1 0 218.264 0.138 20 30 BCEDRO C#C[C@@H](NC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2)C(C)C ZINC000891904741 582736464 /nfs/dbraw/zinc/73/64/64/582736464.db2.gz MJCYSBILMOITFC-GARJFASQSA-N 1 0 221.304 0.400 20 30 BCEDRO C=CCONC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000891945059 582742262 /nfs/dbraw/zinc/74/22/62/582742262.db2.gz RJUHHIWXIPLPEP-GXSJLCMTSA-N 1 0 225.292 0.355 20 30 BCEDRO C=CCONC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891944568 582742523 /nfs/dbraw/zinc/74/25/23/582742523.db2.gz OJOPWVVXFVAILR-KOLCDFICSA-N 1 0 225.292 0.688 20 30 BCEDRO CC(C)(CC#N)CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891954840 582745654 /nfs/dbraw/zinc/74/56/54/582745654.db2.gz LWBDNKOZVKDIHY-UWVGGRQHSA-N 1 0 236.319 0.682 20 30 BCEDRO C=CCC1(O)CCN(C(=O)NCC[NH3+])CC1 ZINC000891976598 582751188 /nfs/dbraw/zinc/75/11/88/582751188.db2.gz DVRWFQAGQWHOKX-UHFFFAOYSA-N 1 0 227.308 0.058 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@H](O)C12CCC2 ZINC000855921809 588854016 /nfs/dbraw/zinc/85/40/16/588854016.db2.gz ZUOLUWSCUWAADE-MNOVXSKESA-N 1 0 238.331 0.524 20 30 BCEDRO C[NH+]=C(NCC1(CO)CCOCC1)NC1CC1 ZINC000849014228 582826292 /nfs/dbraw/zinc/82/62/92/582826292.db2.gz QDKVTNGMXLRSSO-UHFFFAOYSA-N 1 0 241.335 0.103 20 30 BCEDRO CN(C)C(=[NH+]CC1(S(C)(=O)=O)CC1)N(C)C ZINC000849024743 582830441 /nfs/dbraw/zinc/83/04/41/582830441.db2.gz USGYPHVHOZSDHK-UHFFFAOYSA-N 1 0 247.364 0.043 20 30 BCEDRO CCc1ccnc(CNC(NC)=[NH+]C)c1 ZINC000849026157 582830884 /nfs/dbraw/zinc/83/08/84/582830884.db2.gz LKXGLQDCAQHDJA-UHFFFAOYSA-N 1 0 206.293 0.939 20 30 BCEDRO CNC(NCC1(CF)CCOCC1)=[NH+]C ZINC000849037178 582837251 /nfs/dbraw/zinc/83/72/51/582837251.db2.gz SGNIXDUJVKVYSD-UHFFFAOYSA-N 1 0 217.288 0.548 20 30 BCEDRO C#CCC[NH+]1CCN(c2cc(=O)[nH]cn2)CC1 ZINC000892314523 582838717 /nfs/dbraw/zinc/83/87/17/582838717.db2.gz KVDQCOIITXQAHC-UHFFFAOYSA-N 1 0 232.287 0.328 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NCCC)nn1 ZINC000849044255 582840242 /nfs/dbraw/zinc/84/02/42/582840242.db2.gz CFYKAPCPQKKTQG-UHFFFAOYSA-N 1 0 222.296 0.488 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)C(C)(C)O ZINC000890463487 582848338 /nfs/dbraw/zinc/84/83/38/582848338.db2.gz IRECJFNKMPUYKQ-VIFPVBQESA-N 1 0 214.309 0.380 20 30 BCEDRO C[NH+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCOC1 ZINC000113868891 588858445 /nfs/dbraw/zinc/85/84/45/588858445.db2.gz VEJXOAQKGDGOLN-WDEREUQCSA-N 1 0 241.335 0.367 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892457146 582892316 /nfs/dbraw/zinc/89/23/16/582892316.db2.gz DJLZNBCPSMHFAT-GRZMOONWSA-N 1 0 221.304 0.673 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892561745 582914957 /nfs/dbraw/zinc/91/49/57/582914957.db2.gz QOMLAYYWOPISFK-BBBLOLIVSA-N 1 0 224.308 0.525 20 30 BCEDRO C=CC(C)(C)NC(=O)NCC[N@@H+](C)CCOC ZINC000892687297 582955806 /nfs/dbraw/zinc/95/58/06/582955806.db2.gz IQHIKZMOFRHMJF-UHFFFAOYSA-N 1 0 243.351 0.828 20 30 BCEDRO C#CCOCC[NH2+][C@H](C#C)[C@H]1CCCO1 ZINC000851950014 582983150 /nfs/dbraw/zinc/98/31/50/582983150.db2.gz LLODUNAQKQKJFQ-VXGBXAGGSA-N 1 0 207.273 0.407 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCN1C(=O)N[C@H](C)C1=O ZINC000852103771 583001139 /nfs/dbraw/zinc/00/11/39/583001139.db2.gz QPIPQFWSQSWRFM-BXKDBHETSA-N 1 0 237.303 0.318 20 30 BCEDRO C#CCOCCC(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC000856408870 588871900 /nfs/dbraw/zinc/87/19/00/588871900.db2.gz VVZVLKKFFHDGOO-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(CO)C(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC000856408158 588871936 /nfs/dbraw/zinc/87/19/36/588871936.db2.gz GUGAXSKHTAYXAR-VHSXEESVSA-N 1 0 212.293 0.134 20 30 BCEDRO CCC[C@H](O)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852839012 583020735 /nfs/dbraw/zinc/02/07/35/583020735.db2.gz UQRCNCTYBJQIJW-LBPRGKRZSA-N 1 0 238.331 0.267 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccnn1CC ZINC000856480453 588873642 /nfs/dbraw/zinc/87/36/42/588873642.db2.gz HRNDRZQKBJZPSR-UHFFFAOYSA-N 1 0 236.319 0.637 20 30 BCEDRO C=CC[C@H](CO)CNc1cc[nH+]cc1CO ZINC000893096045 583048824 /nfs/dbraw/zinc/04/88/24/583048824.db2.gz AWAYFVYALYDOID-JTQLQIEISA-N 1 0 222.288 0.592 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H](CO)C1CC1 ZINC000856736283 588875386 /nfs/dbraw/zinc/87/53/86/588875386.db2.gz GFWPQQUGPQYPEQ-MNOVXSKESA-N 1 0 226.320 0.648 20 30 BCEDRO CC(C)C[C@@H](CO)[N@H+](C)CC(=O)NCCC#N ZINC000775752532 583103169 /nfs/dbraw/zinc/10/31/69/583103169.db2.gz AFFNCAXPOQFPSJ-NSHDSACASA-N 1 0 241.335 0.355 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893474967 583150869 /nfs/dbraw/zinc/15/08/69/583150869.db2.gz HMODBAUTJUYDHT-QWRGUYRKSA-N 1 0 247.360 0.602 20 30 BCEDRO CCc1nn(C)c(CC)c1C=NNC1=[NH+]CCN1 ZINC000841659643 583163053 /nfs/dbraw/zinc/16/30/53/583163053.db2.gz BKIPXBISERXCEA-UHFFFAOYSA-N 1 0 248.334 0.428 20 30 BCEDRO CCc1cccnc1C(C)=NNC1=[NH+]CCN1 ZINC000841661549 583166225 /nfs/dbraw/zinc/16/62/25/583166225.db2.gz QVBVEWMYLBPGIP-UHFFFAOYSA-N 1 0 231.303 0.917 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]CCN2)ccc1C#N ZINC000841661481 583166238 /nfs/dbraw/zinc/16/62/38/583166238.db2.gz POEAEGBBQFQWPA-UHFFFAOYSA-N 1 0 227.271 0.749 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H](C)CC#N ZINC000893871983 583237061 /nfs/dbraw/zinc/23/70/61/583237061.db2.gz JMOFNTWPAMGZGG-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[C@@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000893938448 583254094 /nfs/dbraw/zinc/25/40/94/583254094.db2.gz CPQDAQZKLXCBEY-ZYHUDNBSSA-N 1 0 243.314 0.797 20 30 BCEDRO C=CCN(C(=O)NCC[C@H](C)[NH3+])[C@H](C)COC ZINC000857106818 588888307 /nfs/dbraw/zinc/88/83/07/588888307.db2.gz AUQUSJYDHTVNDP-WDEREUQCSA-N 1 0 243.351 0.956 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCC[C@H](C)[NH3+] ZINC000857109055 588889005 /nfs/dbraw/zinc/88/90/05/588889005.db2.gz HIMDTJBISHLQIT-UWVGGRQHSA-N 1 0 211.309 0.825 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)N(C)CC(C)(C)C#N ZINC000857109509 588889098 /nfs/dbraw/zinc/88/90/98/588889098.db2.gz MNSMGFFDANIOPE-VIFPVBQESA-N 1 0 226.324 0.915 20 30 BCEDRO O=C(C#CC1CC1)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877270897 583306259 /nfs/dbraw/zinc/30/62/59/583306259.db2.gz ABCPTUYTVHDJMN-RYUDHWBXSA-N 1 0 218.300 0.753 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000894108088 583307125 /nfs/dbraw/zinc/30/71/25/583307125.db2.gz PUTOUDKKDHWPPO-WDEREUQCSA-N 1 0 238.335 0.787 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(C#N)o3)[C@@H]2C1 ZINC000814145972 583342911 /nfs/dbraw/zinc/34/29/11/583342911.db2.gz PMUJWTJGGWAMCY-MWLCHTKSSA-N 1 0 245.282 0.927 20 30 BCEDRO COC(=O)NCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857236561 588900566 /nfs/dbraw/zinc/90/05/66/588900566.db2.gz HFAZEJFGJVBWJL-SECBINFHSA-N 1 0 243.307 0.233 20 30 BCEDRO C#CCCN(CCOC)CN1CCC1=O ZINC000857238040 588901049 /nfs/dbraw/zinc/90/10/49/588901049.db2.gz ALKYHSJOAQVZMC-UHFFFAOYSA-N 1 0 210.277 0.148 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1CC(C)C1 ZINC000857240399 588901091 /nfs/dbraw/zinc/90/10/91/588901091.db2.gz JXKCFDAEIRLTAW-UHFFFAOYSA-N 1 0 208.305 0.762 20 30 BCEDRO CCn1ccnc1[C@H](C)NC(=O)C=NOC ZINC000857279578 588902378 /nfs/dbraw/zinc/90/23/78/588902378.db2.gz ARVKGUDCYKMKEU-QMMMGPOBSA-N 1 0 224.264 0.712 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)CC2(C#N)CC2)C1 ZINC000857227206 588896291 /nfs/dbraw/zinc/89/62/91/588896291.db2.gz IIQGMOFWIVQINC-UHFFFAOYSA-N 1 0 221.304 0.889 20 30 BCEDRO C#CCOCCC(=O)NC1CC([NH+](C)C)C1 ZINC000857230831 588897203 /nfs/dbraw/zinc/89/72/03/588897203.db2.gz NGWIXOZMIBPBGI-UHFFFAOYSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CCNC(=O)CNCc1c(C)ccnc1N ZINC000894374786 583442014 /nfs/dbraw/zinc/44/20/14/583442014.db2.gz FXDIIIYIHRMMQB-UHFFFAOYSA-N 1 0 234.303 0.364 20 30 BCEDRO C#C[C@H](C)[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000894385266 583443635 /nfs/dbraw/zinc/44/36/35/583443635.db2.gz YGGCQGYRXOIFNM-IVZWLZJFSA-N 1 0 215.318 0.421 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1c(C)ccnc1N ZINC000894460841 583466584 /nfs/dbraw/zinc/46/65/84/583466584.db2.gz FFNNAXGIZBLMIA-SNVBAGLBSA-N 1 0 221.304 0.999 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894573582 583486440 /nfs/dbraw/zinc/48/64/40/583486440.db2.gz FBKSGQPEMXEMDR-YIZRAAEISA-N 1 0 231.242 0.994 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H]2COCO2)o1 ZINC000894871383 583539597 /nfs/dbraw/zinc/53/95/97/583539597.db2.gz CUXSSQKDHKRYDU-SNVBAGLBSA-N 1 0 208.217 0.614 20 30 BCEDRO Cc1noc2ncnc(NCC#CC[NH+](C)C)c12 ZINC000894875629 583541538 /nfs/dbraw/zinc/54/15/38/583541538.db2.gz FRHIPSOLITXBIE-UHFFFAOYSA-N 1 0 245.286 0.903 20 30 BCEDRO C[NH+](C)CC#CCNc1ncc(C=O)cn1 ZINC000894875656 583541551 /nfs/dbraw/zinc/54/15/51/583541551.db2.gz FVVRZBUFAKDSIK-UHFFFAOYSA-N 1 0 218.260 0.266 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21)C(C)C ZINC000894933292 583556145 /nfs/dbraw/zinc/55/61/45/583556145.db2.gz INJLKBGYIBLFMK-AVGNSLFASA-N 1 0 249.358 0.990 20 30 BCEDRO C#C[C@@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C(C)C ZINC000894935379 583558282 /nfs/dbraw/zinc/55/82/82/583558282.db2.gz YCIFIDOGHZTWGP-FRRDWIJNSA-N 1 0 249.358 0.847 20 30 BCEDRO C[N@H+](CC(=O)NCCC#N)CC(C)(C)C ZINC000726971458 583578844 /nfs/dbraw/zinc/57/88/44/583578844.db2.gz JTYXVUITVNZCAW-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO CCC[C@@H]1CN(c2cc(C#N)ncn2)CC[NH2+]1 ZINC000895058793 583575622 /nfs/dbraw/zinc/57/56/22/583575622.db2.gz OITGAVNZVLBFIW-SNVBAGLBSA-N 1 0 231.303 0.927 20 30 BCEDRO CCC[C@H]1CN(c2cc(C#N)ncn2)CC[NH2+]1 ZINC000895058789 583575819 /nfs/dbraw/zinc/57/58/19/583575819.db2.gz OITGAVNZVLBFIW-JTQLQIEISA-N 1 0 231.303 0.927 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C1CC(n2cccn2)C1 ZINC000895098355 583588381 /nfs/dbraw/zinc/58/83/81/583588381.db2.gz JWHFWQBHIKDZPT-PNESKVBLSA-N 1 0 233.315 0.951 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000895106767 583589701 /nfs/dbraw/zinc/58/97/01/583589701.db2.gz FZTJDSLXTTYIKL-LBPRGKRZSA-N 1 0 233.271 0.638 20 30 BCEDRO C#CCOCCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000841873840 583590114 /nfs/dbraw/zinc/59/01/14/583590114.db2.gz ASSDMNKTXYGQKD-WDEREUQCSA-N 1 0 239.319 0.028 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)COCCOC ZINC000895130667 583600666 /nfs/dbraw/zinc/60/06/66/583600666.db2.gz AOMKZOYDXQDIFD-RYUDHWBXSA-N 1 0 229.320 0.402 20 30 BCEDRO COCC1(C[NH2+][C@H]2CCCN(O)C2=O)CCC1 ZINC000895157076 583607953 /nfs/dbraw/zinc/60/79/53/583607953.db2.gz MJIPABVRTBPWGU-JTQLQIEISA-N 1 0 242.319 0.773 20 30 BCEDRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)CO1 ZINC000895157371 583608021 /nfs/dbraw/zinc/60/80/21/583608021.db2.gz PGVLBRPGJVQREY-IVZWLZJFSA-N 1 0 228.292 0.524 20 30 BCEDRO CC(C)OC[C@@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895158930 583608598 /nfs/dbraw/zinc/60/85/98/583608598.db2.gz QXFQAYSLYQWHJI-ZJUUUORDSA-N 1 0 230.308 0.770 20 30 BCEDRO O=C1[C@@H]([NH2+][C@H]2CCCOCC2)CCCN1O ZINC000895159522 583608858 /nfs/dbraw/zinc/60/88/58/583608858.db2.gz HEIBGWHWJQUJFS-UWVGGRQHSA-N 1 0 228.292 0.525 20 30 BCEDRO O=C1[C@@H]([NH2+]CC[C@H]2CCOC2)CCCN1O ZINC000895158956 583608909 /nfs/dbraw/zinc/60/89/09/583608909.db2.gz AFXMMUHEWRQVLV-UWVGGRQHSA-N 1 0 228.292 0.383 20 30 BCEDRO CSC1(C[NH2+][C@H]2CCCN(O)C2=O)CC1 ZINC000895159981 583609036 /nfs/dbraw/zinc/60/90/36/583609036.db2.gz ZFIZNUZMZFWAGA-QMMMGPOBSA-N 1 0 230.333 0.852 20 30 BCEDRO C[C@@H]1COCC[C@@H]1[NH2+][C@@H]1CCCN(O)C1=O ZINC000895158995 583609295 /nfs/dbraw/zinc/60/92/95/583609295.db2.gz BEMCOTNKQTUDRY-KXUCPTDWSA-N 1 0 228.292 0.381 20 30 BCEDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@H]1CCCN(O)C1=O ZINC000895160996 583609627 /nfs/dbraw/zinc/60/96/27/583609627.db2.gz QFRXGRJDMPYHHS-VWYCJHECSA-N 1 0 242.319 0.771 20 30 BCEDRO O=C1[C@@H]([NH2+]C2CCOCC2)CCCN1O ZINC000895160583 583609728 /nfs/dbraw/zinc/60/97/28/583609728.db2.gz BJTYYQDSBUYGOW-VIFPVBQESA-N 1 0 214.265 0.135 20 30 BCEDRO C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@H]1CCCOC1 ZINC000895161406 583610029 /nfs/dbraw/zinc/61/00/29/583610029.db2.gz RGVYYXICXCCYBN-DCAQKATOSA-N 1 0 242.319 0.771 20 30 BCEDRO C[C@H]([NH2+][C@H]1CCCN(O)C1=O)C1CCOCC1 ZINC000895162434 583610901 /nfs/dbraw/zinc/61/09/01/583610901.db2.gz ZLOVEOOYFMXFHI-ONGXEEELSA-N 1 0 242.319 0.771 20 30 BCEDRO CCOC[C@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895162912 583611172 /nfs/dbraw/zinc/61/11/72/583611172.db2.gz PJGYXOOFXDXBIS-DTWKUNHWSA-N 1 0 216.281 0.381 20 30 BCEDRO C#Cc1ccc(C[N@H+]2C[C@H](O)C[C@]2(C)CO)cc1 ZINC000895329285 583651727 /nfs/dbraw/zinc/65/17/27/583651727.db2.gz ISOYTGDCIKJBKC-HUUCEWRRSA-N 1 0 245.322 0.986 20 30 BCEDRO C#C[C@H]([NH2+]Cc1cnc[nH]1)C1CCOCC1 ZINC000895333203 583652077 /nfs/dbraw/zinc/65/20/77/583652077.db2.gz ZXQXLBOLLNUOHY-LBPRGKRZSA-N 1 0 219.288 0.928 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000882893109 583655575 /nfs/dbraw/zinc/65/55/75/583655575.db2.gz MHMFSBZRFSVLLH-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCCCCCC[N@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000895371788 583661566 /nfs/dbraw/zinc/66/15/66/583661566.db2.gz XUUYUJRBJDSSBT-NEPJUHHUSA-N 1 0 238.331 0.491 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000895415481 583667519 /nfs/dbraw/zinc/66/75/19/583667519.db2.gz NEFYWIZIALWXBF-GRYCIOLGSA-N 1 0 239.315 0.956 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000895461325 583677568 /nfs/dbraw/zinc/67/75/68/583677568.db2.gz JHHZHSPLGLUKOU-LMLFDSFASA-N 1 0 215.293 0.315 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000895490651 583680645 /nfs/dbraw/zinc/68/06/45/583680645.db2.gz RLPMFGBMFKZLQH-QJPTWQEYSA-N 1 0 238.331 0.408 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000895490994 583680963 /nfs/dbraw/zinc/68/09/63/583680963.db2.gz XIQLWEOVODXJFE-VOAKCMCISA-N 1 0 235.327 0.918 20 30 BCEDRO C=C[C@@H](C)ONC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000895578722 583694789 /nfs/dbraw/zinc/69/47/89/583694789.db2.gz RYFZDQFAILZEHD-MXWKQRLJSA-N 1 0 239.319 0.696 20 30 BCEDRO C#CCSCC(=O)NCC(C)(C)[NH+](C)C ZINC000895593200 583695642 /nfs/dbraw/zinc/69/56/42/583695642.db2.gz YASMJPPKONVJQF-UHFFFAOYSA-N 1 0 228.361 0.809 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000895678170 583704664 /nfs/dbraw/zinc/70/46/64/583704664.db2.gz BXTPEOJXGGKHSD-WDEREUQCSA-N 1 0 223.320 0.649 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@@H](C)COC(C)=O ZINC000895672692 583706904 /nfs/dbraw/zinc/70/69/04/583706904.db2.gz URMULEUTUDUIDN-GXSJLCMTSA-N 1 0 213.277 0.566 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C2CC(OC)C2)C1 ZINC000895746666 583716733 /nfs/dbraw/zinc/71/67/33/583716733.db2.gz BFTDGGHDYHPALR-PNESKVBLSA-N 1 0 222.332 0.851 20 30 BCEDRO C#Cc1cnc(N[C@H]2CC[N@H+](C)[C@H]2C)nc1 ZINC000895736281 583717865 /nfs/dbraw/zinc/71/78/65/583717865.db2.gz IXDLKPJRXLWXKF-ONGXEEELSA-N 1 0 216.288 0.962 20 30 BCEDRO C#CC[NH+]1CCC(Nc2nnc(C)o2)CC1 ZINC000895808816 583729795 /nfs/dbraw/zinc/72/97/95/583729795.db2.gz SICKNBYFVHVITL-UHFFFAOYSA-N 1 0 220.276 0.888 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000895962696 583751671 /nfs/dbraw/zinc/75/16/71/583751671.db2.gz ATZHQMZPNDNFGG-IALDZJHCSA-N 1 0 223.316 0.918 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000895963837 583753924 /nfs/dbraw/zinc/75/39/24/583753924.db2.gz JWKHQLQHUNHZQY-IRCOFANPSA-N 1 0 227.304 0.153 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000896035934 583765099 /nfs/dbraw/zinc/76/50/99/583765099.db2.gz XUYXOVSNQLGMEY-YVNMAJEFSA-N 1 0 247.360 0.479 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000896042428 583767031 /nfs/dbraw/zinc/76/70/31/583767031.db2.gz DFBUEWWRCSMZKD-GFCCVEGCSA-N 1 0 247.346 0.485 20 30 BCEDRO C#CCSCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000896116333 583772376 /nfs/dbraw/zinc/77/23/76/583772376.db2.gz WKEHZBHYCQGMGE-NSHDSACASA-N 1 0 240.372 0.905 20 30 BCEDRO CCC(CC)[NH2+]CCNC(=O)NCC#CCO ZINC000896142573 583774582 /nfs/dbraw/zinc/77/45/82/583774582.db2.gz DSBBZEWIYAGXDL-UHFFFAOYSA-N 1 0 241.335 0.060 20 30 BCEDRO C#CCSCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000896268109 583788214 /nfs/dbraw/zinc/78/82/14/583788214.db2.gz UZGIJORHUKIXBQ-NSHDSACASA-N 1 0 240.372 0.811 20 30 BCEDRO C#CCCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896701333 583823020 /nfs/dbraw/zinc/82/30/20/583823020.db2.gz LQOPJACMRMERMC-GFCCVEGCSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000858089576 588931917 /nfs/dbraw/zinc/93/19/17/588931917.db2.gz XQZLVNPFLMYEGG-GFCCVEGCSA-N 1 0 235.331 0.936 20 30 BCEDRO C#Cc1ccc(CNC(=O)NC[C@H](C)[NH3+])cc1 ZINC000841909004 583879908 /nfs/dbraw/zinc/87/99/08/583879908.db2.gz ZXNDITROPJRDOM-JTQLQIEISA-N 1 0 231.299 0.814 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)NCCC[NH+](C)C ZINC000858104043 588933188 /nfs/dbraw/zinc/93/31/88/588933188.db2.gz WDAQZPNRQSVTKY-NSHDSACASA-N 1 0 241.335 0.276 20 30 BCEDRO C#CCOc1ccc(CNC(=O)NCC[NH3+])cc1 ZINC000841912936 583901142 /nfs/dbraw/zinc/90/11/42/583901142.db2.gz NGDAZKYICLCOEW-UHFFFAOYSA-N 1 0 247.298 0.457 20 30 BCEDRO C=CCONC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000841913006 583903273 /nfs/dbraw/zinc/90/32/73/583903273.db2.gz FTCFDIXASWNZLU-BDAKNGLRSA-N 1 0 213.281 0.496 20 30 BCEDRO C=CCONC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000841913008 583903405 /nfs/dbraw/zinc/90/34/05/583903405.db2.gz FTCFDIXASWNZLU-DTWKUNHWSA-N 1 0 213.281 0.496 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@H]2CCC[N@@H+](C)C2)cn1 ZINC000728962880 583939706 /nfs/dbraw/zinc/93/97/06/583939706.db2.gz RCHGLPPBHRPLBS-ZDUSSCGKSA-N 1 0 243.310 0.887 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)cn1 ZINC000728962879 583939783 /nfs/dbraw/zinc/93/97/83/583939783.db2.gz RCHGLPPBHRPLBS-CYBMUJFWSA-N 1 0 243.310 0.887 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cc[nH]c(=O)c2)N1 ZINC000863105712 583975981 /nfs/dbraw/zinc/97/59/81/583975981.db2.gz YJRKBCULPLXPNK-SSDOTTSWSA-N 1 0 219.248 0.058 20 30 BCEDRO C#CCOCCNC(=O)[C@@H](CC)[NH+](C)C ZINC000753225264 583978629 /nfs/dbraw/zinc/97/86/29/583978629.db2.gz DFICHZKDHFTYIT-SNVBAGLBSA-N 1 0 212.293 0.093 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000897505046 583998325 /nfs/dbraw/zinc/99/83/25/583998325.db2.gz HNYVCGQBEHYIHM-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCNC(=[NH2+])Nc1ccc(CCO)cc1 ZINC000864450410 584005014 /nfs/dbraw/zinc/00/50/14/584005014.db2.gz MIBUEMSQTWPCCB-UHFFFAOYSA-N 1 0 217.272 0.791 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]C[C@@H](C)N2)sn1 ZINC000785462130 584008280 /nfs/dbraw/zinc/00/82/80/584008280.db2.gz RQZGFCCWWWKPDT-SSDOTTSWSA-N 1 0 223.305 0.723 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897555680 584018186 /nfs/dbraw/zinc/01/81/86/584018186.db2.gz VWQDNNHCDPFHIX-NWDGAFQWSA-N 1 0 236.315 0.235 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897581269 584022206 /nfs/dbraw/zinc/02/22/06/584022206.db2.gz LQOCWLSSZQSCCR-PWSUYJOCSA-N 1 0 236.315 0.187 20 30 BCEDRO CC1(C#N)CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000897631382 584033273 /nfs/dbraw/zinc/03/32/73/584033273.db2.gz WSWWBCIPTAXFPY-LLVKDONJSA-N 1 0 249.314 0.079 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897648652 584034525 /nfs/dbraw/zinc/03/45/25/584034525.db2.gz CZVXEDQCGJWOCZ-MNOVXSKESA-N 1 0 240.347 0.912 20 30 BCEDRO C[C@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@H]1O ZINC000897680567 584037805 /nfs/dbraw/zinc/03/78/05/584037805.db2.gz SQTOGUVFVSSBQM-JOYOIKCWSA-N 1 0 217.272 0.766 20 30 BCEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@@H]1O ZINC000897680568 584037975 /nfs/dbraw/zinc/03/79/75/584037975.db2.gz SQTOGUVFVSSBQM-SKDRFNHKSA-N 1 0 217.272 0.766 20 30 BCEDRO CC[N@H+](CCC(=O)NC)Cc1cccc(C#N)n1 ZINC000897710038 584041975 /nfs/dbraw/zinc/04/19/75/584041975.db2.gz WGLQTTZZORCMMP-UHFFFAOYSA-N 1 0 246.314 0.911 20 30 BCEDRO C[C@@]1([NH2+]Cc2cccc(C#N)c2)CCNC1=O ZINC000897874394 584056466 /nfs/dbraw/zinc/05/64/66/584056466.db2.gz WFRQVNFQMKXQQJ-CYBMUJFWSA-N 1 0 229.283 0.926 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898601681 584145415 /nfs/dbraw/zinc/14/54/15/584145415.db2.gz RDLCYARZSPCXEH-GFCCVEGCSA-N 1 0 224.304 0.230 20 30 BCEDRO C=C1CN(C(=O)CCN2CC[NH+](CC)CC2)C1 ZINC000898695372 584154428 /nfs/dbraw/zinc/15/44/28/584154428.db2.gz YANQVDIGZZWOIB-UHFFFAOYSA-N 1 0 237.347 0.412 20 30 BCEDRO C#CCN(c1nc(N)[nH+]c(N)n1)C1CCCC1 ZINC000858529079 588963374 /nfs/dbraw/zinc/96/33/74/588963374.db2.gz IJJYCWWJNUVDAH-UHFFFAOYSA-N 1 0 232.291 0.418 20 30 BCEDRO C#CCNC(=O)N1CC[C@H](C[NH3+])[C@@H](C)C1 ZINC000899241879 584185647 /nfs/dbraw/zinc/18/56/47/584185647.db2.gz MPZKMUIKVLXQAJ-VHSXEESVSA-N 1 0 209.293 0.246 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H]2CC[C@@]21C[NH3+] ZINC000899244381 584186501 /nfs/dbraw/zinc/18/65/01/584186501.db2.gz AGVZOCMCMSIOHK-ZYHUDNBSSA-N 1 0 221.304 0.533 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([N@@H+]2C[C@@H]3CCC[C@@H]3C2)C1=O ZINC000899256564 584187222 /nfs/dbraw/zinc/18/72/22/584187222.db2.gz VHTXCVYMVFBEQM-GRYCIOLGSA-N 1 0 246.310 0.479 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000899248067 584187968 /nfs/dbraw/zinc/18/79/68/584187968.db2.gz LTTWNQPKQQYUSG-KOLCDFICSA-N 1 0 207.277 0.142 20 30 BCEDRO C#CCNC(=O)NC1(C2CC[NH2+]CC2)CC1 ZINC000899249406 584188442 /nfs/dbraw/zinc/18/84/42/584188442.db2.gz YYRLPUPTLUUMAI-UHFFFAOYSA-N 1 0 221.304 0.451 20 30 BCEDRO CNC(N[C@@H]1C[C@@H]2C[C@@H](C(=O)OC)C[C@H]12)=[NH+]C ZINC000899262978 584190432 /nfs/dbraw/zinc/19/04/32/584190432.db2.gz XNNWDCGRNWIZCC-QCLAVDOMSA-N 1 0 239.319 0.369 20 30 BCEDRO CNC(NC1CC2(C1)CO[C@@H](C)C2)=[NH+]C ZINC000899262943 584190567 /nfs/dbraw/zinc/19/05/67/584190567.db2.gz WGDSXFQCUUDPSD-SILCLGDVSA-N 1 0 211.309 0.739 20 30 BCEDRO CNC(NCc1cc(C2CC2)nn1C)=[NH+]C ZINC000899262906 584190622 /nfs/dbraw/zinc/19/06/22/584190622.db2.gz UXNNIOTUUBBWIM-UHFFFAOYSA-N 1 0 221.308 0.592 20 30 BCEDRO CNC(NCC#C[C@H]1CCCCO1)=[NH+]C ZINC000899263820 584190901 /nfs/dbraw/zinc/19/09/01/584190901.db2.gz PMQAZXZGFALYLB-SNVBAGLBSA-N 1 0 209.293 0.354 20 30 BCEDRO CNC(NCc1cc(C(F)(F)F)n(C)n1)=[NH+]C ZINC000899263665 584190916 /nfs/dbraw/zinc/19/09/16/584190916.db2.gz IAHNZADDLXWWFU-UHFFFAOYSA-N 1 0 249.240 0.734 20 30 BCEDRO C=C[C@@](C)(CC)C(=O)NCC[N@H+](C)CCO ZINC000899738330 584232772 /nfs/dbraw/zinc/23/27/72/584232772.db2.gz YWLAKTZIHQNDIM-LBPRGKRZSA-N 1 0 228.336 0.629 20 30 BCEDRO C=CC(C)(C)C(=O)NCC[N@H+](C)CCO ZINC000899738427 584233242 /nfs/dbraw/zinc/23/32/42/584233242.db2.gz ALBBROPIJHSPJU-UHFFFAOYSA-N 1 0 214.309 0.239 20 30 BCEDRO C=CCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000899890472 584246212 /nfs/dbraw/zinc/24/62/12/584246212.db2.gz DADFJCHHOJGHQA-JTQLQIEISA-N 1 0 215.293 0.055 20 30 BCEDRO N#Cc1ccc(CC[NH2+]CC[N+](=O)[O-])cc1 ZINC000899892884 584249077 /nfs/dbraw/zinc/24/90/77/584249077.db2.gz ZNTYGMKPXVYIHG-UHFFFAOYSA-N 1 0 219.244 0.967 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CC(Cc2ccoc2)C1 ZINC000899916740 584255095 /nfs/dbraw/zinc/25/50/95/584255095.db2.gz NWFGARLVQRJNHX-UHFFFAOYSA-N 1 0 246.310 0.893 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)COC ZINC000899935250 584257849 /nfs/dbraw/zinc/25/78/49/584257849.db2.gz HSEYVHIJPYGGJS-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C#CCNC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899975607 584262747 /nfs/dbraw/zinc/26/27/47/584262747.db2.gz NWCAFBNTORVHCU-MNOVXSKESA-N 1 0 206.289 0.753 20 30 BCEDRO C#CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000899975609 584262797 /nfs/dbraw/zinc/26/27/97/584262797.db2.gz NWCAFBNTORVHCU-WDEREUQCSA-N 1 0 206.289 0.753 20 30 BCEDRO CC#CC[C@H](CO)Nc1cc[nH+]c(CO)c1 ZINC000858601043 588970126 /nfs/dbraw/zinc/97/01/26/588970126.db2.gz AJYACZWRJCYHHF-LLVKDONJSA-N 1 0 220.272 0.760 20 30 BCEDRO CC1(C)C[NH2+]C[C@@H]1Nc1ccc(C#N)c(N)n1 ZINC000900019504 584266952 /nfs/dbraw/zinc/26/69/52/584266952.db2.gz BIZYQSDFHYMTST-VIFPVBQESA-N 1 0 231.303 0.945 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC(=O)OC ZINC000900101630 584271515 /nfs/dbraw/zinc/27/15/15/584271515.db2.gz FPCDSSCKZYGLHC-UHFFFAOYSA-N 1 0 228.292 0.126 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900169065 584281873 /nfs/dbraw/zinc/28/18/73/584281873.db2.gz QAAFPEROSUJWQE-AAEUAGOBSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1cnn(C)c1 ZINC000900339656 584294309 /nfs/dbraw/zinc/29/43/09/584294309.db2.gz RXQQJHUOADQMNG-UHFFFAOYSA-N 1 0 236.319 0.544 20 30 BCEDRO CCN(CCC#N)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900325370 584295008 /nfs/dbraw/zinc/29/50/08/584295008.db2.gz BYFPYYJXMIVXQE-PWSUYJOCSA-N 1 0 239.319 0.204 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCC(=O)OCC ZINC000900393304 584301144 /nfs/dbraw/zinc/30/11/44/584301144.db2.gz ZNMOTZWSIKZWPP-UHFFFAOYSA-N 1 0 242.319 0.564 20 30 BCEDRO N#CCn1cc(NC(=O)C23CC[NH+](CC2)C3)cn1 ZINC000900440780 584310973 /nfs/dbraw/zinc/31/09/73/584310973.db2.gz WFILWPSGIRQUSW-UHFFFAOYSA-N 1 0 245.286 0.441 20 30 BCEDRO C#CCCN1CCN(C(=O)[C@@H](O)/C=C/C)CC1 ZINC000900473019 584313783 /nfs/dbraw/zinc/31/37/83/584313783.db2.gz BUKONGXONQNDFK-FUEXJSSKSA-N 1 0 236.315 0.091 20 30 BCEDRO C#CCCN1CCN(C(=O)[C@H](O)/C=C\C)CC1 ZINC000900473030 584313968 /nfs/dbraw/zinc/31/39/68/584313968.db2.gz BUKONGXONQNDFK-TXNVCOODSA-N 1 0 236.315 0.091 20 30 BCEDRO C#CCCCCCCn1cc([C@@H]([NH3+])CO)nn1 ZINC000900641572 584331893 /nfs/dbraw/zinc/33/18/93/584331893.db2.gz XZQOLRBISAMNIM-NSHDSACASA-N 1 0 236.319 0.854 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C(N)=O)C(C)C ZINC000900618527 584332847 /nfs/dbraw/zinc/33/28/47/584332847.db2.gz YYWPRYFYNCSGPW-SNVBAGLBSA-N 1 0 241.335 0.120 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900648666 584335305 /nfs/dbraw/zinc/33/53/05/584335305.db2.gz IXGUTULTQXAPBG-JQWIXIFHSA-N 1 0 239.319 0.109 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC[S@@](=O)CC ZINC000900646359 584335473 /nfs/dbraw/zinc/33/54/73/584335473.db2.gz AHYMMJXVZABZTN-INIZCTEOSA-N 1 0 246.376 0.379 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCC[S@](C)=O ZINC000900648723 584335491 /nfs/dbraw/zinc/33/54/91/584335491.db2.gz JPKNVXAAXIWKHS-INIZCTEOSA-N 1 0 246.376 0.379 20 30 BCEDRO C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000900666918 584338023 /nfs/dbraw/zinc/33/80/23/584338023.db2.gz QHWQPCPVYJASLJ-YPMHNXCESA-N 1 0 232.327 0.858 20 30 BCEDRO C#CCN1CCN(C(=O)C(=C)CC[NH+](C)C)CC1 ZINC000900691028 584341913 /nfs/dbraw/zinc/34/19/13/584341913.db2.gz VYQMHTIMUPVXIY-UHFFFAOYSA-N 1 0 249.358 0.272 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC1(O)CCCC1 ZINC000900701623 584342637 /nfs/dbraw/zinc/34/26/37/584342637.db2.gz YZCACZBCVXKKSY-UHFFFAOYSA-N 1 0 240.347 0.916 20 30 BCEDRO C[NH+](C)CCn1nccc1C(=O)NC1(C#N)CC1 ZINC000900722032 584345089 /nfs/dbraw/zinc/34/50/89/584345089.db2.gz FRFPYTVMTQFWNY-UHFFFAOYSA-N 1 0 247.302 0.231 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@](C)(O)COC ZINC000900900877 584364540 /nfs/dbraw/zinc/36/45/40/584364540.db2.gz XSEJKPJSEBHBOT-LBPRGKRZSA-N 1 0 244.335 0.008 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC(C)(C)O ZINC000900912844 584365922 /nfs/dbraw/zinc/36/59/22/584365922.db2.gz ITNMWIQDHIEWKB-UHFFFAOYSA-N 1 0 228.336 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)c1cn[nH]c1 ZINC000900915023 584365987 /nfs/dbraw/zinc/36/59/87/584365987.db2.gz NAGIEGYYQBCQFD-UHFFFAOYSA-N 1 0 222.292 0.880 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1ccnn1CC[NH+](C)C ZINC000901020134 584377329 /nfs/dbraw/zinc/37/73/29/584377329.db2.gz SEKLDMOYKAGQCO-SNVBAGLBSA-N 1 0 236.319 0.749 20 30 BCEDRO COC[C@@](C)(C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000901050220 584378812 /nfs/dbraw/zinc/37/88/12/584378812.db2.gz ABHKJEVUCQIFAZ-LLVKDONJSA-N 1 0 237.303 0.127 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CCO ZINC000901083571 584382498 /nfs/dbraw/zinc/38/24/98/584382498.db2.gz MHGPWQQCDBMZAF-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC[C@@H](O)CC ZINC000901090569 584383575 /nfs/dbraw/zinc/38/35/75/584383575.db2.gz AFJUOVIEKZDHLC-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO CC(=NN1CCOCC1)c1c[nH]c(N)[nH+]1 ZINC000901127489 584387445 /nfs/dbraw/zinc/38/74/45/584387445.db2.gz YSKHLNDRXSFADD-UHFFFAOYSA-N 1 0 209.253 0.048 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cccc3c2OCC3)N1 ZINC000901215484 584401425 /nfs/dbraw/zinc/40/14/25/584401425.db2.gz JSZHTUZHKIOAEN-SECBINFHSA-N 1 0 244.298 0.893 20 30 BCEDRO C[C@@H]1CC(N=Nc2ccnn2C)C[N@@H+]1C ZINC000901220047 584403297 /nfs/dbraw/zinc/40/32/97/584403297.db2.gz ILQJAWOOKGQFFG-MRVPVSSYSA-N 1 0 207.281 0.912 20 30 BCEDRO CC(=NN[C@H]1CCOC1)c1c[nH]c(N)[nH+]1 ZINC000901231862 584404294 /nfs/dbraw/zinc/40/42/94/584404294.db2.gz PYQKWLHKIWHSLY-ZETCQYMHSA-N 1 0 209.253 0.094 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1ccc2c(c1)CCCO2 ZINC000901252678 584410105 /nfs/dbraw/zinc/41/01/05/584410105.db2.gz LNMLGERDGVWINZ-UHFFFAOYSA-N 1 0 244.298 0.894 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1ccnn1C1CCC1 ZINC000901252909 584410168 /nfs/dbraw/zinc/41/01/68/584410168.db2.gz RCMXIVNHDCKRQY-UHFFFAOYSA-N 1 0 232.291 0.491 20 30 BCEDRO CCNN=C1CC[NH+](CC(C)(C)O)CC1 ZINC000901280953 584414698 /nfs/dbraw/zinc/41/46/98/584414698.db2.gz GEDDXFDYKYKROO-UHFFFAOYSA-N 1 0 213.325 0.819 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1nccc(N)n1 ZINC000901302243 584419405 /nfs/dbraw/zinc/41/94/05/584419405.db2.gz JJOLZKILDFHLKE-UHFFFAOYSA-N 1 0 249.318 0.183 20 30 BCEDRO O[C@@H]1CCCC[C@H]1NN=C1C[N@@H+]2C[C@@H]1CCC2 ZINC000901332865 584425962 /nfs/dbraw/zinc/42/59/62/584425962.db2.gz RNAPYZBMNXFQSA-DMDPSCGWSA-N 1 0 237.347 0.961 20 30 BCEDRO C=C(C)CN(C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901349201 584430713 /nfs/dbraw/zinc/43/07/13/584430713.db2.gz GQFCYRVOMAICCS-CYBMUJFWSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(C)CN(C)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901348831 584431038 /nfs/dbraw/zinc/43/10/38/584431038.db2.gz DRLJSCMDHPPRPS-ZYHUDNBSSA-N 1 0 226.320 0.476 20 30 BCEDRO CO[C@H]1CC[C@H]1N(C)Cn1cccc(C#N)c1=O ZINC000902639169 584648891 /nfs/dbraw/zinc/64/88/91/584648891.db2.gz OQHNXETXJLMGCR-NEPJUHHUSA-N 1 0 247.298 0.787 20 30 BCEDRO C[C@H](O)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902720432 584659357 /nfs/dbraw/zinc/65/93/57/584659357.db2.gz ICTVICDLDBHNBK-IUCAKERBSA-N 1 0 205.261 0.985 20 30 BCEDRO C[C@H](CO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902761977 584666038 /nfs/dbraw/zinc/66/60/38/584666038.db2.gz CZXRHLRPIULQQE-RKDXNWHRSA-N 1 0 205.261 0.985 20 30 BCEDRO C[C@@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(C#N)ccn1 ZINC000902784065 584666392 /nfs/dbraw/zinc/66/63/92/584666392.db2.gz MYESTBJKGLRQDP-MWLCHTKSSA-N 1 0 244.298 0.835 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2nccs2)CC1 ZINC000902944803 584696365 /nfs/dbraw/zinc/69/63/65/584696365.db2.gz JPRSKWPHOUGBAO-UHFFFAOYSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2nccn2C)CC1 ZINC000902939949 584701260 /nfs/dbraw/zinc/70/12/60/584701260.db2.gz LRCVHRDNVCSTTC-UHFFFAOYSA-N 1 0 246.314 0.248 20 30 BCEDRO COC[C@@H](CO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902976156 584707693 /nfs/dbraw/zinc/70/76/93/584707693.db2.gz NTTIWJNJGZOKFA-MWLCHTKSSA-N 1 0 235.287 0.611 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CCC[C@H](F)C1 ZINC000903002785 584716338 /nfs/dbraw/zinc/71/63/38/584716338.db2.gz HHDVWXVEIAABGP-UWVGGRQHSA-N 1 0 212.268 0.558 20 30 BCEDRO C=C(C)C[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000903004868 584716779 /nfs/dbraw/zinc/71/67/79/584716779.db2.gz OOYYRNFYIMPQHP-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903147879 584732118 /nfs/dbraw/zinc/73/21/18/584732118.db2.gz TVTONSWPELEFMX-NEPJUHHUSA-N 1 0 227.304 0.727 20 30 BCEDRO N#CC1CCC(CN(CC[NH3+])CCO)CC1 ZINC000903449563 584771151 /nfs/dbraw/zinc/77/11/51/584771151.db2.gz UPIJRNGDTZAVCX-UHFFFAOYSA-N 1 0 225.336 0.569 20 30 BCEDRO C=CCNC(=O)CN[C@H]1CC[NH2+]C12CCC2 ZINC000903464977 584779344 /nfs/dbraw/zinc/77/93/44/584779344.db2.gz COLVGYWCEZYZLL-JTQLQIEISA-N 1 0 223.320 0.163 20 30 BCEDRO C[C@@]1(C#N)CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903824367 584804436 /nfs/dbraw/zinc/80/44/36/584804436.db2.gz PPENPVJUGIIITF-QWHCGFSZSA-N 1 0 237.347 0.991 20 30 BCEDRO C[C@@]1(C#N)CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000903825365 584804657 /nfs/dbraw/zinc/80/46/57/584804657.db2.gz ZTYOHPCARLQWFF-GARJFASQSA-N 1 0 227.283 0.301 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]2CC[C@]21C[NH3+] ZINC000903856862 584809798 /nfs/dbraw/zinc/80/97/98/584809798.db2.gz STQOCZFFPFZIES-PWSUYJOCSA-N 1 0 223.320 0.102 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC[C@H]3CC[C@@]32CN)C1=O ZINC000903861001 584812255 /nfs/dbraw/zinc/81/22/55/584812255.db2.gz VHESNFLNVZBLIN-MBNYWOFBSA-N 1 0 249.358 0.587 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@H]([NH3+])CC(F)F ZINC000903929452 584824627 /nfs/dbraw/zinc/82/46/27/584824627.db2.gz GBKDLXSGIGAXFE-RKDXNWHRSA-N 1 0 218.247 0.303 20 30 BCEDRO N#C[C@@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000903987368 584836098 /nfs/dbraw/zinc/83/60/98/584836098.db2.gz DMOPPIMHHROXFH-UNXYVOJBSA-N 1 0 205.305 0.974 20 30 BCEDRO C#CCCOC(=O)NC[C@H](C)C[NH+](C)C ZINC000859166728 589012742 /nfs/dbraw/zinc/01/27/42/589012742.db2.gz JSSIWKRXKJARPW-JTQLQIEISA-N 1 0 212.293 0.934 20 30 BCEDRO C#CCCOC(=O)NCCC[N@@H+](C)CC#C ZINC000859172217 589013435 /nfs/dbraw/zinc/01/34/35/589013435.db2.gz MLDANPBHFKQNIF-UHFFFAOYSA-N 1 0 222.288 0.691 20 30 BCEDRO COc1cc(C[NH2+][C@H]2CNOC2)ccc1C#N ZINC000904424397 584880783 /nfs/dbraw/zinc/88/07/83/584880783.db2.gz RSFOGBXWNSQZIN-NSHDSACASA-N 1 0 233.271 0.560 20 30 BCEDRO CC(=[NH+]N(C)[C@@H](C)CO)c1ccc(N)nc1 ZINC000842539305 584900803 /nfs/dbraw/zinc/90/08/03/584900803.db2.gz UPLNHQIOZNFXSZ-QMMMGPOBSA-N 1 0 222.292 0.700 20 30 BCEDRO C#CC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000830321288 584908107 /nfs/dbraw/zinc/90/81/07/584908107.db2.gz FKCLRERNLYVUHC-ZDUSSCGKSA-N 1 0 233.315 0.589 20 30 BCEDRO C#CCCN1CCC([N@H+](C)CCCO)CC1 ZINC000760841714 584908488 /nfs/dbraw/zinc/90/84/88/584908488.db2.gz YFSWDXQISJJTAV-UHFFFAOYSA-N 1 0 224.348 0.788 20 30 BCEDRO COCCOc1ccc(C=NNC(N)=[NH2+])cc1 ZINC000730462022 584911269 /nfs/dbraw/zinc/91/12/69/584911269.db2.gz KRNKDSIHUYXTBW-UHFFFAOYSA-N 1 0 236.275 0.529 20 30 BCEDRO C#C[C@@H](CC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000754358027 584917701 /nfs/dbraw/zinc/91/77/01/584917701.db2.gz SMQISTUEDOABFN-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[N@@H+](CCNS(=O)(=O)CC)C(C)C ZINC000731664693 584928234 /nfs/dbraw/zinc/92/82/34/584928234.db2.gz XSOSFJXBMPXZOB-UHFFFAOYSA-N 1 0 234.365 0.822 20 30 BCEDRO CC[C@@H](C)C[N@H+](C)CC(=O)NCCC#N ZINC000732206217 584934833 /nfs/dbraw/zinc/93/48/33/584934833.db2.gz SXSJRYOTIVEQGU-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](c2ccco2)C1 ZINC000732206153 584934869 /nfs/dbraw/zinc/93/48/69/584934869.db2.gz QVNKLSKRSUAXTG-LLVKDONJSA-N 1 0 232.283 0.818 20 30 BCEDRO C=CCNC(=S)NCC[NH+]1CCSCC1 ZINC000732720244 584940162 /nfs/dbraw/zinc/94/01/62/584940162.db2.gz GGIKKKQQMNNENT-UHFFFAOYSA-N 1 0 245.417 0.685 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NCCC#N)CCS1 ZINC000755199756 584946770 /nfs/dbraw/zinc/94/67/70/584946770.db2.gz OQLZQRLKIFFGAQ-SNVBAGLBSA-N 1 0 241.360 0.844 20 30 BCEDRO C#CCCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000733642602 584951404 /nfs/dbraw/zinc/95/14/04/584951404.db2.gz OQHGBTLIOHLMOX-LLVKDONJSA-N 1 0 235.331 0.793 20 30 BCEDRO C#CC(C)(C)NC(=O)CCN1CCOCC1 ZINC000733978897 584955704 /nfs/dbraw/zinc/95/57/04/584955704.db2.gz IKECVKLCKHKJSH-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C[C@@H](O)CNN=C1CC[NH+](CC(C)(C)O)CC1 ZINC000814964804 584971861 /nfs/dbraw/zinc/97/18/61/584971861.db2.gz DSNBTQCGWHTEFJ-SNVBAGLBSA-N 1 0 243.351 0.180 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000820427560 585013513 /nfs/dbraw/zinc/01/35/13/585013513.db2.gz IKGHTCVPASIYHZ-WOPDTQHZSA-N 1 0 237.347 0.990 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000820428690 585013550 /nfs/dbraw/zinc/01/35/50/585013550.db2.gz REZHZFPLMKVDTI-VXGBXAGGSA-N 1 0 237.347 0.990 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCc2n[nH]cc2C1 ZINC000774061498 585026126 /nfs/dbraw/zinc/02/61/26/585026126.db2.gz ABTVOCZJSJUJBQ-NSHDSACASA-N 1 0 248.330 0.501 20 30 BCEDRO C[C@]1(O)CC[N@H+](C[C@H](O)CC2(C#N)CCC2)C1 ZINC000886033045 585036595 /nfs/dbraw/zinc/03/65/95/585036595.db2.gz RAEHFEFHNOBTIP-NEPJUHHUSA-N 1 0 238.331 0.888 20 30 BCEDRO C=CCONC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000838710928 585066626 /nfs/dbraw/zinc/06/66/26/585066626.db2.gz DJDCWABJOULCDZ-GXSJLCMTSA-N 1 0 239.319 0.886 20 30 BCEDRO C=CCONC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000838710934 585066654 /nfs/dbraw/zinc/06/66/54/585066654.db2.gz DJDCWABJOULCDZ-MWLCHTKSSA-N 1 0 239.319 0.886 20 30 BCEDRO COC(=O)CC1([NH2+]CCOCCC#N)CCC1 ZINC000838917249 585078326 /nfs/dbraw/zinc/07/83/26/585078326.db2.gz FACJRWJTPXQDIP-UHFFFAOYSA-N 1 0 240.303 0.992 20 30 BCEDRO C#CCN(CC#C)CC[C@@H](C)[NH+](CC#C)CC#C ZINC000839500104 585105734 /nfs/dbraw/zinc/10/57/34/585105734.db2.gz ASXIGGWTTHNHOZ-MRXNPFEDSA-N 1 0 240.350 0.902 20 30 BCEDRO CC[N@@H+]1CCC(=NNC(=S)NC)[C@@H](C)C1 ZINC000741452002 585114070 /nfs/dbraw/zinc/11/40/70/585114070.db2.gz TVGHRNHFPKIGGO-QMMMGPOBSA-N 1 0 228.365 0.798 20 30 BCEDRO C[C@@H]1CC(=NN2CCN(C)CC2)CC[N@@H+]1C ZINC000741450778 585114090 /nfs/dbraw/zinc/11/40/90/585114090.db2.gz AVWKNSHQSDMQSG-LLVKDONJSA-N 1 0 224.352 0.704 20 30 BCEDRO C#CC[C@@H]1CC[N@H+](C[C@@H]2COCCO2)C1 ZINC000886366225 585134229 /nfs/dbraw/zinc/13/42/29/585134229.db2.gz ZQGFATUJKCNCOR-VXGBXAGGSA-N 1 0 209.289 0.747 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC000743490672 585137532 /nfs/dbraw/zinc/13/75/32/585137532.db2.gz SXTCNAUGDUCBDX-LLVKDONJSA-N 1 0 233.315 0.750 20 30 BCEDRO C#CCCCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000745899765 585161296 /nfs/dbraw/zinc/16/12/96/585161296.db2.gz KJKRQPYQMDAAFL-UHFFFAOYSA-N 1 0 223.320 0.747 20 30 BCEDRO C#CCCNC(=O)[C@H]1CCn2ccnc2C1 ZINC000749239289 585200617 /nfs/dbraw/zinc/20/06/17/585200617.db2.gz DKPHNNQARLGMOQ-JTQLQIEISA-N 1 0 217.272 0.585 20 30 BCEDRO C#CCCNC(=O)[C@@H]1CCn2ccnc2C1 ZINC000749239291 585200783 /nfs/dbraw/zinc/20/07/83/585200783.db2.gz DKPHNNQARLGMOQ-SNVBAGLBSA-N 1 0 217.272 0.585 20 30 BCEDRO CNC(NC[C@H](O)COc1ccccc1)=[NH+]C ZINC000750541985 585217139 /nfs/dbraw/zinc/21/71/39/585217139.db2.gz KZWNMQJWGRIOEP-JTQLQIEISA-N 1 0 237.303 0.221 20 30 BCEDRO CNC(NCCNc1ccc(C#N)cn1)=[NH+]C ZINC000750542100 585217251 /nfs/dbraw/zinc/21/72/51/585217251.db2.gz YLBFWRNXWZFLHU-UHFFFAOYSA-N 1 0 232.291 0.160 20 30 BCEDRO C#CC(=O)NCCC[NH+]1C[C@@H](C)O[C@H](C)C1 ZINC000753908169 585271950 /nfs/dbraw/zinc/27/19/50/585271950.db2.gz XLGYMUSILGZXFN-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO Cn1ccnc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000753934116 585272060 /nfs/dbraw/zinc/27/20/60/585272060.db2.gz FYMGEVGVTZLJFZ-AOOOYVTPSA-N 1 0 246.318 0.614 20 30 BCEDRO C#CC(=O)N[C@H](Cc1ccccc1)C[NH+](C)C ZINC000753949593 585272911 /nfs/dbraw/zinc/27/29/11/585272911.db2.gz COIPFSYYNJRIPD-CYBMUJFWSA-N 1 0 230.311 0.909 20 30 BCEDRO C#CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000753957370 585273273 /nfs/dbraw/zinc/27/32/73/585273273.db2.gz QIAADCMIJVTYFX-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC(=O)Nc1ccn(-c2cc[nH+]cc2)n1 ZINC000754028902 585275848 /nfs/dbraw/zinc/27/58/48/585275848.db2.gz CUXQXFYVCWHZDZ-UHFFFAOYSA-N 1 0 212.212 0.839 20 30 BCEDRO C#CC(=O)N1CC[C@H](C[NH+]2CCCCC2)C1 ZINC000754057569 585276659 /nfs/dbraw/zinc/27/66/59/585276659.db2.gz BPLOHMPFGVUUAD-GFCCVEGCSA-N 1 0 220.316 0.954 20 30 BCEDRO Cn1cc(C(C)(C)[NH2+]CC(=O)NCCC#N)cn1 ZINC000754873242 585292043 /nfs/dbraw/zinc/29/20/43/585292043.db2.gz NKTIQOFKDYLGCK-UHFFFAOYSA-N 1 0 249.318 0.275 20 30 BCEDRO C#CCCN[C@H](C(=O)OCC)C1CCOCC1 ZINC000755193572 585295837 /nfs/dbraw/zinc/29/58/37/585295837.db2.gz RHSOUNOAHXLGEZ-LBPRGKRZSA-N 1 0 239.315 0.958 20 30 BCEDRO Cc1cc(C)n2c(C=NNC(N)=[NH2+])cnc2n1 ZINC000755633829 585302756 /nfs/dbraw/zinc/30/27/56/585302756.db2.gz OIJLEQVKSBRQIF-UHFFFAOYSA-N 1 0 231.263 0.163 20 30 BCEDRO C#CCOCCC(=O)N[C@H](C)CC[NH+](C)C ZINC000755902584 585309898 /nfs/dbraw/zinc/30/98/98/585309898.db2.gz HHSDUJXHUPUXOX-LLVKDONJSA-N 1 0 226.320 0.483 20 30 BCEDRO C#CCOCCC(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000756024280 585313247 /nfs/dbraw/zinc/31/32/47/585313247.db2.gz DKHCCNPQIBEKSA-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCOCCC(=O)OC[C@H]1CCC[N@@H+]1CC#C ZINC000756541498 585320847 /nfs/dbraw/zinc/32/08/47/585320847.db2.gz HXBYTWPPTBVJAR-CYBMUJFWSA-N 1 0 249.310 0.667 20 30 BCEDRO C=CCCOCCNC(=S)NCC[NH+](C)C ZINC000756851947 585324520 /nfs/dbraw/zinc/32/45/20/585324520.db2.gz NJDGDJJGRCGQCV-UHFFFAOYSA-N 1 0 245.392 0.605 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000756902926 585324925 /nfs/dbraw/zinc/32/49/25/585324925.db2.gz FCEBSIQHBXQCAO-LBPRGKRZSA-N 1 0 237.303 0.129 20 30 BCEDRO C#CCC[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000839670589 585336089 /nfs/dbraw/zinc/33/60/89/585336089.db2.gz VCEAPVZIDXCIHD-LLVKDONJSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000839677376 585336685 /nfs/dbraw/zinc/33/66/85/585336685.db2.gz SLBXXCBBGZJJQY-LBPRGKRZSA-N 1 0 220.316 0.858 20 30 BCEDRO CCC(=NNC1=[NH+]C[C@@H](C)N1)c1ccn(C)n1 ZINC000758126451 585349782 /nfs/dbraw/zinc/34/97/82/585349782.db2.gz JSQBWDQGDREGFL-MRVPVSSYSA-N 1 0 234.307 0.472 20 30 BCEDRO C#CCOCC[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000758145960 585350681 /nfs/dbraw/zinc/35/06/81/585350681.db2.gz FTHSGYVQSCUYFE-ZDUSSCGKSA-N 1 0 246.310 0.322 20 30 BCEDRO CCN(CCOC)Cn1ccc(C)c(C#N)c1=O ZINC000758191316 585351106 /nfs/dbraw/zinc/35/11/06/585351106.db2.gz IRXHLCHDCNHWQR-UHFFFAOYSA-N 1 0 249.314 0.954 20 30 BCEDRO C#CCNC(=S)NCCC[NH+]1CCCCC1 ZINC000758184907 585351199 /nfs/dbraw/zinc/35/11/99/585351199.db2.gz OXJLADADTUZLEY-UHFFFAOYSA-N 1 0 239.388 0.960 20 30 BCEDRO C#CCNC(=S)NC[C@H](C)C[NH+]1CCCC1 ZINC000758198145 585351676 /nfs/dbraw/zinc/35/16/76/585351676.db2.gz NOMPILUPWFCTSY-NSHDSACASA-N 1 0 239.388 0.816 20 30 BCEDRO C#CCNC(=S)NC[C@@H](C1CC1)[NH+](C)C ZINC000758206242 585351793 /nfs/dbraw/zinc/35/17/93/585351793.db2.gz ZEPUKVTVZJSGCR-JTQLQIEISA-N 1 0 225.361 0.424 20 30 BCEDRO COC[C@H]1CCN(Cn2cccc(C#N)c2=O)C1 ZINC000758221016 585352058 /nfs/dbraw/zinc/35/20/58/585352058.db2.gz BMYRYAFTEQWZBB-NSHDSACASA-N 1 0 247.298 0.646 20 30 BCEDRO CN(C[C@@H]1CCCO1)Cn1cccc(C#N)c1=O ZINC000758220838 585352306 /nfs/dbraw/zinc/35/23/06/585352306.db2.gz BWRNKVRUFBUBGN-LBPRGKRZSA-N 1 0 247.298 0.788 20 30 BCEDRO C#CCNC(=S)NCC[NH+]1CCSCC1 ZINC000758229947 585352432 /nfs/dbraw/zinc/35/24/32/585352432.db2.gz KPIDROIAXHYENF-UHFFFAOYSA-N 1 0 243.401 0.133 20 30 BCEDRO C#CCNC(=S)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000758250838 585352806 /nfs/dbraw/zinc/35/28/06/585352806.db2.gz GCERXDPEBKOCGI-JTQLQIEISA-N 1 0 225.361 0.520 20 30 BCEDRO C#CCCNc1nc(NC)[nH+]c(NCCC#C)n1 ZINC000758453320 585356014 /nfs/dbraw/zinc/35/60/14/585356014.db2.gz RHNCKXOUNSITQX-UHFFFAOYSA-N 1 0 244.302 0.784 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@H]([NH+](C)C)CC1 ZINC000759965770 585383537 /nfs/dbraw/zinc/38/35/37/585383537.db2.gz IJFOKJHUECHATE-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCC[NH+]1CCC(C(=O)NCCOC)CC1 ZINC000760809293 585397463 /nfs/dbraw/zinc/39/74/63/585397463.db2.gz YAOJBWXKASFBHM-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000760858778 585400076 /nfs/dbraw/zinc/40/00/76/585400076.db2.gz AKBJJDFVCFREKH-JTQLQIEISA-N 1 0 230.333 0.023 20 30 BCEDRO C#CCOCC[N@@H+](C)Cc1cccc(C(N)=O)c1 ZINC000761108291 585409691 /nfs/dbraw/zinc/40/96/91/585409691.db2.gz KDLUOCNKROODLR-UHFFFAOYSA-N 1 0 246.310 0.867 20 30 BCEDRO C#CCOCC[N@@H+](C)Cc1cnn(C)c1C ZINC000761108277 585409923 /nfs/dbraw/zinc/40/99/23/585409923.db2.gz JVSJZJWRVXTRBC-UHFFFAOYSA-N 1 0 221.304 0.810 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](CO)C1CC1 ZINC000763078129 585443066 /nfs/dbraw/zinc/44/30/66/585443066.db2.gz CWXUXSPKAAEMNP-GFCCVEGCSA-N 1 0 238.331 0.548 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(F)(F)F ZINC000764122055 585460408 /nfs/dbraw/zinc/46/04/08/585460408.db2.gz UVHKOYLWMFSEPV-UHFFFAOYSA-N 1 0 210.199 0.783 20 30 BCEDRO C#CCCCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000764409326 585465102 /nfs/dbraw/zinc/46/51/02/585465102.db2.gz UOPXAJZMSCIVOI-LLVKDONJSA-N 1 0 240.372 0.953 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CCC#N)CCC#N ZINC000764425131 585465335 /nfs/dbraw/zinc/46/53/35/585465335.db2.gz SDBWAMFKKRPDNR-UHFFFAOYSA-N 1 0 234.303 0.760 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(=O)n(C)c1 ZINC000764420191 585465389 /nfs/dbraw/zinc/46/53/89/585465389.db2.gz YIENOHCFANDDFT-UHFFFAOYSA-N 1 0 235.287 0.442 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](C)C[C@H](C)O ZINC000764552459 585467794 /nfs/dbraw/zinc/46/77/94/585467794.db2.gz QDFDXBHDMSNOHO-KOLCDFICSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](C)C[C@@H](C)O ZINC000764552461 585467993 /nfs/dbraw/zinc/46/79/93/585467993.db2.gz QDFDXBHDMSNOHO-MWLCHTKSSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@](C)(O)CC ZINC000764575345 585468125 /nfs/dbraw/zinc/46/81/25/585468125.db2.gz JYSXYMGKDRBBCQ-NSHDSACASA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CC[C@@H](C)O ZINC000764602559 585468681 /nfs/dbraw/zinc/46/86/81/585468681.db2.gz CUXUNOQPMIGAQG-SNVBAGLBSA-N 1 0 214.309 0.334 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@@H](O)CC ZINC000764630420 585469426 /nfs/dbraw/zinc/46/94/26/585469426.db2.gz GNSMSVQSNZAQDX-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@@H](CO)SC ZINC000764631245 585469541 /nfs/dbraw/zinc/46/95/41/585469541.db2.gz JROUKPXKFCQVQE-NXEZZACHSA-N 1 0 246.376 0.333 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC)CC#N ZINC000764656352 585470377 /nfs/dbraw/zinc/47/03/77/585470377.db2.gz HSIOEEBYCRTSGG-JTQLQIEISA-N 1 0 209.293 0.913 20 30 BCEDRO CC[C@H](C(=O)Nc1cnn(CC#N)c1)[NH+](C)C ZINC000765342531 585484122 /nfs/dbraw/zinc/48/41/22/585484122.db2.gz HIEDIQMVFMMHLY-SNVBAGLBSA-N 1 0 235.291 0.685 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)NC1=NO[C@H](C)C1 ZINC000765383345 585485026 /nfs/dbraw/zinc/48/50/26/585485026.db2.gz GNHVKMCAIRBKIQ-MRVPVSSYSA-N 1 0 213.281 0.565 20 30 BCEDRO C#CCNC(=O)CN1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000766254323 585499389 /nfs/dbraw/zinc/49/93/89/585499389.db2.gz OROQCERKUPQOPK-RYUDHWBXSA-N 1 0 237.347 0.150 20 30 BCEDRO CCO[C@H]1CCCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000766455962 585502842 /nfs/dbraw/zinc/50/28/42/585502842.db2.gz VTPQXVBNVNQBSX-WPRPVWTQSA-N 1 0 224.308 0.869 20 30 BCEDRO C#CCNC(=S)N1CC[N@@H+](C)CC1(C)C ZINC000766712895 585506259 /nfs/dbraw/zinc/50/62/59/585506259.db2.gz MZWPFOAPJRYYFS-UHFFFAOYSA-N 1 0 225.361 0.520 20 30 BCEDRO C#CCCC[NH+]1CCN(C(=O)C2CC2)CC1 ZINC000766896933 585509855 /nfs/dbraw/zinc/50/98/55/585509855.db2.gz VTOKQTRBMILCHO-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000766904174 585510565 /nfs/dbraw/zinc/51/05/65/585510565.db2.gz XRTISSRWRINNEZ-LLVKDONJSA-N 1 0 244.360 0.400 20 30 BCEDRO C#CCCCN1CC[NH+]([C@H](CC)CO)CC1 ZINC000766902642 585510729 /nfs/dbraw/zinc/51/07/29/585510729.db2.gz MDTMUUGOPQOXSM-CYBMUJFWSA-N 1 0 224.348 0.788 20 30 BCEDRO C#CCCCN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000766902643 585510779 /nfs/dbraw/zinc/51/07/79/585510779.db2.gz MDTMUUGOPQOXSM-ZDUSSCGKSA-N 1 0 224.348 0.788 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000766918331 585511447 /nfs/dbraw/zinc/51/14/47/585511447.db2.gz JVFLSCLAYFFKMA-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000766917346 585511521 /nfs/dbraw/zinc/51/15/21/585511521.db2.gz GNSTUSSGUCEZMB-JTQLQIEISA-N 1 0 230.333 0.153 20 30 BCEDRO C#CCCC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000766938955 585512091 /nfs/dbraw/zinc/51/20/91/585512091.db2.gz TWCDWKOTTLTDEM-UHFFFAOYSA-N 1 0 244.360 0.400 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)NCCC#N)C[C@H]1C ZINC000766984481 585512554 /nfs/dbraw/zinc/51/25/54/585512554.db2.gz KUGCMXSHPCGMPI-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@@H]1c1ccncc1 ZINC000767586366 585522755 /nfs/dbraw/zinc/52/27/55/585522755.db2.gz WBECXRJYAAUPOC-CYBMUJFWSA-N 1 0 243.310 0.968 20 30 BCEDRO C[N@@H+](CC(=O)NCCC#N)CC1CCOCC1 ZINC000767705769 585525254 /nfs/dbraw/zinc/52/52/54/585525254.db2.gz LIVSICULSURTLO-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO CSC[C@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000767904512 585528234 /nfs/dbraw/zinc/52/82/34/585528234.db2.gz ABSYSQODRMBQKI-SNVBAGLBSA-N 1 0 241.360 0.844 20 30 BCEDRO CCn1nc(C=NNC(N)=[NH2+])c2ccccc21 ZINC000769774022 585563247 /nfs/dbraw/zinc/56/32/47/585563247.db2.gz GYMSDWZAVFHQJE-UHFFFAOYSA-N 1 0 230.275 0.873 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CCOCC)[C@@H]1CCCO1 ZINC000769790114 585563545 /nfs/dbraw/zinc/56/35/45/585563545.db2.gz URVHOISIQXCYCJ-AVGNSLFASA-N 1 0 241.331 0.544 20 30 BCEDRO C#Cc1cncc(C(=O)N[C@@H](C)C[NH+](C)C)c1 ZINC000805427113 585592384 /nfs/dbraw/zinc/59/23/84/585592384.db2.gz NYNYZZTXCUBOSI-JTQLQIEISA-N 1 0 231.299 0.743 20 30 BCEDRO C#CC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000772848491 585625492 /nfs/dbraw/zinc/62/54/92/585625492.db2.gz VDIKDXSRVVCFKB-DTWKUNHWSA-N 1 0 212.318 0.124 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000772972363 585628665 /nfs/dbraw/zinc/62/86/65/585628665.db2.gz GKQMMOBSRBGAQI-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO CON=CC(=O)NCC1([NH+](C)C)CCCC1 ZINC000773817476 585644508 /nfs/dbraw/zinc/64/45/08/585644508.db2.gz YEFQWVZQGFNEGV-UHFFFAOYSA-N 1 0 227.308 0.609 20 30 BCEDRO CON=CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000773830417 585644670 /nfs/dbraw/zinc/64/46/70/585644670.db2.gz LVXCYCOXHCGNGJ-UHFFFAOYSA-N 1 0 239.319 0.609 20 30 BCEDRO C#CCOCCNC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000773969522 585647455 /nfs/dbraw/zinc/64/74/55/585647455.db2.gz BDVONRCKTSZEHT-NSHDSACASA-N 1 0 240.347 0.919 20 30 BCEDRO CC[NH+](CC)[C@H]1CCN(C(=O)C=NOC)C1 ZINC000774013802 585648258 /nfs/dbraw/zinc/64/82/58/585648258.db2.gz LKUWZHKPKMSZBO-JTQLQIEISA-N 1 0 227.308 0.561 20 30 BCEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)C=NOC)C1 ZINC000774013804 585648336 /nfs/dbraw/zinc/64/83/36/585648336.db2.gz LKUWZHKPKMSZBO-SNVBAGLBSA-N 1 0 227.308 0.561 20 30 BCEDRO CON=CC(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000774024567 585648514 /nfs/dbraw/zinc/64/85/14/585648514.db2.gz NHIFGZZTRXDOFC-UWVGGRQHSA-N 1 0 227.308 0.608 20 30 BCEDRO CON=CC(=O)NCCC[N@@H+]1CCCC[C@@H]1C ZINC000774324599 585656276 /nfs/dbraw/zinc/65/62/76/585656276.db2.gz TWIKMGYWTVMAIO-NSHDSACASA-N 1 0 241.335 0.999 20 30 BCEDRO CON=CC(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000774383802 585657168 /nfs/dbraw/zinc/65/71/68/585657168.db2.gz YVFUEKUZLZUKSY-MNOVXSKESA-N 1 0 241.335 0.855 20 30 BCEDRO CON=CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000774383827 585657218 /nfs/dbraw/zinc/65/72/18/585657218.db2.gz YVFUEKUZLZUKSY-WDEREUQCSA-N 1 0 241.335 0.855 20 30 BCEDRO CON=CC(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000774383793 585657289 /nfs/dbraw/zinc/65/72/89/585657289.db2.gz YVFUEKUZLZUKSY-GHMZBOCLSA-N 1 0 241.335 0.855 20 30 BCEDRO C#C[C@@H](C)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000775384848 585677168 /nfs/dbraw/zinc/67/71/68/585677168.db2.gz QLLLWDQMFNAOEM-ZJUUUORDSA-N 1 0 226.345 0.562 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)NCC=C)[C@H]1CCCO1 ZINC000775801411 585685261 /nfs/dbraw/zinc/68/52/61/585685261.db2.gz XSIXOPRMMWFJTP-SDDRHHMPSA-N 1 0 236.315 0.448 20 30 BCEDRO C#C[C@@H]([NH2+]CCn1cc(C)cn1)[C@H]1CCCO1 ZINC000775800713 585685435 /nfs/dbraw/zinc/68/54/35/585685435.db2.gz RAQBCRRBYCCKPL-CHWSQXEVSA-N 1 0 233.315 0.962 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)N(C)CC)[C@H]1CCCO1 ZINC000775801145 585685569 /nfs/dbraw/zinc/68/55/69/585685569.db2.gz WNPJHDOBFRJDKZ-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@@H]([NH2+]CCn1cc(C)cn1)[C@@H]1CCCO1 ZINC000775800715 585685613 /nfs/dbraw/zinc/68/56/13/585685613.db2.gz RAQBCRRBYCCKPL-OLZOCXBDSA-N 1 0 233.315 0.962 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2cnc(C)nc2)CC1 ZINC000776593376 585702505 /nfs/dbraw/zinc/70/25/05/585702505.db2.gz USRWNQPLAFTQDH-UHFFFAOYSA-N 1 0 244.342 0.926 20 30 BCEDRO CC(C)(O)C[N@H+](CC(=O)NCCC#N)C1CC1 ZINC000778217905 585727948 /nfs/dbraw/zinc/72/79/48/585727948.db2.gz LQLWATLPUOSYSS-UHFFFAOYSA-N 1 0 239.319 0.252 20 30 BCEDRO CCn1nc(C)c(C=NNC2=[NH+]C[C@H](C)N2)c1C ZINC000779785070 585763040 /nfs/dbraw/zinc/76/30/40/585763040.db2.gz NKDOJQDWPSXYKI-QMMMGPOBSA-N 1 0 248.334 0.791 20 30 BCEDRO CO[C@H]1CCCCC1=NNC1=[NH+][C@H](C)CN1 ZINC000779793653 585763537 /nfs/dbraw/zinc/76/35/37/585763537.db2.gz WEFDXAMEASKERS-SCZZXKLOSA-N 1 0 224.308 0.869 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cccc(O)c2)N1 ZINC000779791166 585763750 /nfs/dbraw/zinc/76/37/50/585763750.db2.gz GAWLLHWWEFZMDF-MRVPVSSYSA-N 1 0 218.260 0.663 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc(O)c(O)c2)N1 ZINC000779792369 585763775 /nfs/dbraw/zinc/76/37/75/585763775.db2.gz MLGKBAJGHWLBTR-SSDOTTSWSA-N 1 0 234.259 0.369 20 30 BCEDRO COc1ccc(O)c(C=NNC2=[NH+]C[C@@H](C)N2)c1 ZINC000779795531 585764315 /nfs/dbraw/zinc/76/43/15/585764315.db2.gz VPTHCXGJIQTQRZ-MRVPVSSYSA-N 1 0 248.286 0.672 20 30 BCEDRO Cc1n[nH]c(C)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779794178 585764459 /nfs/dbraw/zinc/76/44/59/585764459.db2.gz DEGVCMJPTBXCCZ-ZCFIWIBFSA-N 1 0 220.280 0.298 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCO[C@H](C)C2)=[NH+]1 ZINC000779794508 585764478 /nfs/dbraw/zinc/76/44/78/585764478.db2.gz JMCNZGSODWTZQQ-HTQZYQBOSA-N 1 0 210.281 0.479 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cncs2)N1 ZINC000779799507 585764630 /nfs/dbraw/zinc/76/46/30/585764630.db2.gz UBKRCIBJWKKYOS-ZCFIWIBFSA-N 1 0 209.278 0.414 20 30 BCEDRO Cc1ncccc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779801836 585764850 /nfs/dbraw/zinc/76/48/50/585764850.db2.gz YVQHBVBDSNWCJI-QMMMGPOBSA-N 1 0 217.276 0.661 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1nccs1 ZINC000779803339 585765043 /nfs/dbraw/zinc/76/50/43/585765043.db2.gz PIUUZZRMHSNOPR-ZCFIWIBFSA-N 1 0 223.305 0.804 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccncc1 ZINC000779811751 585766411 /nfs/dbraw/zinc/76/64/11/585766411.db2.gz TZABNQLUGJAFJV-SECBINFHSA-N 1 0 204.277 0.853 20 30 BCEDRO C1C[C@H]2C(=NN[C@@H]3CCCOC3)CC[N@H+]2C1 ZINC000780261086 585775689 /nfs/dbraw/zinc/77/56/89/585775689.db2.gz KOBHTORFZQAHSX-PWSUYJOCSA-N 1 0 223.320 0.979 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@H](C)[NH+](C)C ZINC000781348958 585795018 /nfs/dbraw/zinc/79/50/18/585795018.db2.gz NYQZMZCALXAZML-JTQLQIEISA-N 1 0 242.319 0.514 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782004308 585806423 /nfs/dbraw/zinc/80/64/23/585806423.db2.gz KNIIRCFEFYCGJJ-JTQLQIEISA-N 1 0 240.303 0.498 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)NCc1ccc(C#N)cn1 ZINC000782029015 585806950 /nfs/dbraw/zinc/80/69/50/585806950.db2.gz OXBAUZUXGJOAJP-UHFFFAOYSA-N 1 0 246.314 0.910 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2COCc3ccccc32)N1 ZINC000782266724 585813489 /nfs/dbraw/zinc/81/34/89/585813489.db2.gz CSBNDNBEVFAXIF-SECBINFHSA-N 1 0 244.298 0.858 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@@]1(C)CCCO1 ZINC000782266600 585813576 /nfs/dbraw/zinc/81/35/76/585813576.db2.gz BDDDXFYGAPEMDU-GZMMTYOYSA-N 1 0 224.308 0.869 20 30 BCEDRO C[NH+](C)CCNC(=S)NCCCC#N ZINC000783756057 585842188 /nfs/dbraw/zinc/84/21/88/585842188.db2.gz GYFGWSIAKYIQPC-UHFFFAOYSA-N 1 0 214.338 0.316 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@@H]1CCCO1 ZINC000783861298 585845156 /nfs/dbraw/zinc/84/51/56/585845156.db2.gz DJZAFCIGNXQQEM-CBAPKCEASA-N 1 0 210.281 0.479 20 30 BCEDRO C#CCOCCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000784359649 585857051 /nfs/dbraw/zinc/85/70/51/585857051.db2.gz DFNQFHZLONEIRD-LLVKDONJSA-N 1 0 241.335 0.276 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C1CC1 ZINC000784592616 585864223 /nfs/dbraw/zinc/86/42/23/585864223.db2.gz KRRNXPGNDIHRAY-OLZOCXBDSA-N 1 0 236.315 0.283 20 30 BCEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)NCCC#N)C1 ZINC000785756178 585879620 /nfs/dbraw/zinc/87/96/20/585879620.db2.gz KVWGYDOCJXZJJS-LLVKDONJSA-N 1 0 238.335 0.930 20 30 BCEDRO C=CCC[N@@H+](C)CN1C[C@@H](C(=O)OC)CC1=O ZINC000786100570 585887205 /nfs/dbraw/zinc/88/72/05/585887205.db2.gz BYRHXRRSNRKORK-JTQLQIEISA-N 1 0 240.303 0.473 20 30 BCEDRO C=CCCN(C)Cn1nc(COC)oc1=O ZINC000786102281 585887365 /nfs/dbraw/zinc/88/73/65/585887365.db2.gz VKLNPFLMWPAZGZ-UHFFFAOYSA-N 1 0 227.264 0.448 20 30 BCEDRO CC(C)([NH2+]CC(=O)NCC#N)C1CCOCC1 ZINC000786168704 585888005 /nfs/dbraw/zinc/88/80/05/585888005.db2.gz VSHCGXKZXBEZPM-UHFFFAOYSA-N 1 0 239.319 0.421 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000787324765 585906378 /nfs/dbraw/zinc/90/63/78/585906378.db2.gz MCNQZROMYRXMHP-VWYCJHECSA-N 1 0 227.304 0.807 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000787324283 585906723 /nfs/dbraw/zinc/90/67/23/585906723.db2.gz IHFMXWQVYLUYGU-MNOVXSKESA-N 1 0 225.288 0.520 20 30 BCEDRO N#CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000787370968 585908013 /nfs/dbraw/zinc/90/80/13/585908013.db2.gz SOYTVERVHZPLKC-WDEREUQCSA-N 1 0 236.319 0.826 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)C(F)F)CC1 ZINC000787388065 585908422 /nfs/dbraw/zinc/90/84/22/585908422.db2.gz UNVTWFWLFGVLTO-UHFFFAOYSA-N 1 0 230.258 0.855 20 30 BCEDRO Cc1ccc2nc(C=NNC(N)=[NH2+])cn2c1 ZINC000788992335 585932775 /nfs/dbraw/zinc/93/27/75/585932775.db2.gz VWDRQUGTRKJPRT-UHFFFAOYSA-N 1 0 216.248 0.460 20 30 BCEDRO C#CCC[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000789343186 585940429 /nfs/dbraw/zinc/94/04/29/585940429.db2.gz WDGDRIBQPNUNOT-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCC[N@@H+](C)[C@H](C)CN1CCOCC1 ZINC000789343184 585940603 /nfs/dbraw/zinc/94/06/03/585940603.db2.gz WDGDRIBQPNUNOT-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C=C(CO)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000791346466 585978090 /nfs/dbraw/zinc/97/80/90/585978090.db2.gz FOBAUEGKGQEPFQ-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(CO)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000791347938 585978147 /nfs/dbraw/zinc/97/81/47/585978147.db2.gz AFCKAHVLFRAXDM-SECBINFHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C(CO)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000791370308 585979409 /nfs/dbraw/zinc/97/94/09/585979409.db2.gz DNRFEANYJRTFMQ-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000791370435 585979412 /nfs/dbraw/zinc/97/94/12/585979412.db2.gz GAXCTSGDEUQEBS-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000791368994 585979433 /nfs/dbraw/zinc/97/94/33/585979433.db2.gz FXKJSSBYJISQAE-CMPLNLGQSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC)C(=O)OC ZINC000791383959 585979722 /nfs/dbraw/zinc/97/97/22/585979722.db2.gz GDINSKIXXYYZBR-SECBINFHSA-N 1 0 228.292 0.172 20 30 BCEDRO CO[C@]1(C)CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000791562490 585984091 /nfs/dbraw/zinc/98/40/91/585984091.db2.gz CWFKBAAVAMGKCV-GFCCVEGCSA-N 1 0 239.319 0.517 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](O)CC(=O)OCC ZINC000859280037 589027033 /nfs/dbraw/zinc/02/70/33/589027033.db2.gz HWUXBJVWLXFZGB-JTQLQIEISA-N 1 0 227.304 0.644 20 30 BCEDRO C#CC(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000791898412 585990790 /nfs/dbraw/zinc/99/07/90/585990790.db2.gz KPAJHGHIJWPRJV-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCc2nc[nH]c2C1 ZINC000793565893 586023442 /nfs/dbraw/zinc/02/34/42/586023442.db2.gz GDEQUDNPNJGCAI-SNVBAGLBSA-N 1 0 248.330 0.501 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@]1(C#N)CC1(C)C ZINC000794161243 586033977 /nfs/dbraw/zinc/03/39/77/586033977.db2.gz NKHJYKVVDPAGLZ-GFCCVEGCSA-N 1 0 221.304 0.913 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)C(C)(C)n1cncn1 ZINC000794532073 586042255 /nfs/dbraw/zinc/04/22/55/586042255.db2.gz ZQLUSFUOWTVELM-QMMMGPOBSA-N 1 0 249.322 0.326 20 30 BCEDRO CO[C@H]1CCCC(=NNC2=[NH+][C@H](C)CN2)C1 ZINC000794530384 586042403 /nfs/dbraw/zinc/04/24/03/586042403.db2.gz LLLPOFPMYMUXNP-SCZZXKLOSA-N 1 0 224.308 0.869 20 30 BCEDRO C[C@@H]1CCSCC[N@@H+]1CC(=O)NCCC#N ZINC000794570043 586044107 /nfs/dbraw/zinc/04/41/07/586044107.db2.gz DVFUMJUVMDTRGS-SNVBAGLBSA-N 1 0 241.360 0.844 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCO[C@@H](C)C#N ZINC000794576344 586044727 /nfs/dbraw/zinc/04/47/27/586044727.db2.gz JJMWCVYYPWKMPG-HBNTYKKESA-N 1 0 239.319 0.419 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cn[nH]c1 ZINC000794857391 586051471 /nfs/dbraw/zinc/05/14/71/586051471.db2.gz GYOJMPFNKBYZQZ-ZCFIWIBFSA-N 1 0 206.253 0.071 20 30 BCEDRO COC(=O)c1csc(C(C)=NNC(N)=[NH2+])c1 ZINC000794889171 586053664 /nfs/dbraw/zinc/05/36/64/586053664.db2.gz VCHQZFCJCLAMOP-UHFFFAOYSA-N 1 0 240.288 0.742 20 30 BCEDRO C[C@H]1COC(=O)C1=NNCC[NH+]1CCCCC1 ZINC000794897961 586053795 /nfs/dbraw/zinc/05/37/95/586053795.db2.gz WAJLZNKRDCZHMJ-JTQLQIEISA-N 1 0 239.319 0.611 20 30 BCEDRO C#CCC[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000796258423 586099722 /nfs/dbraw/zinc/09/97/22/586099722.db2.gz BWWQPFCHWSMMOP-UHFFFAOYSA-N 1 0 244.360 0.271 20 30 BCEDRO C#CCNC(=O)C[N@@H+](CC1CCC1)[C@@H](C)CO ZINC000796546695 586106920 /nfs/dbraw/zinc/10/69/20/586106920.db2.gz NDPXTIXDZGCIAL-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000843076374 586136429 /nfs/dbraw/zinc/13/64/29/586136429.db2.gz HGMQGYAZAPIMOA-PWSUYJOCSA-N 1 0 240.278 0.781 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000843076665 586137209 /nfs/dbraw/zinc/13/72/09/586137209.db2.gz JAAIHRJUXMBPPK-KGLIPLIRSA-N 1 0 233.311 0.564 20 30 BCEDRO C=C(CO)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000798282573 586142172 /nfs/dbraw/zinc/14/21/72/586142172.db2.gz LMXDZQQTTNDEIF-JTQLQIEISA-N 1 0 224.304 0.135 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)OC(C)(C)C ZINC000798295195 586142398 /nfs/dbraw/zinc/14/23/98/586142398.db2.gz ZDCKXNSNTQNQMC-UHFFFAOYSA-N 1 0 242.319 0.562 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)C[N@@H+](C)C(C)C ZINC000799080292 586156118 /nfs/dbraw/zinc/15/61/18/586156118.db2.gz GOPYJPMWHXYVJD-NSHDSACASA-N 1 0 226.320 0.217 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H](CCO)C2CC2)C1=O ZINC000799166141 586164187 /nfs/dbraw/zinc/16/41/87/586164187.db2.gz ZNIMGJJRDLJWMZ-NEPJUHHUSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799180657 586165414 /nfs/dbraw/zinc/16/54/14/586165414.db2.gz DTSUZNOXXOXLMB-VWYCJHECSA-N 1 0 240.303 0.354 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799180605 586165646 /nfs/dbraw/zinc/16/56/46/586165646.db2.gz BBOFAOXZLLWRQT-MNOVXSKESA-N 1 0 238.287 0.067 20 30 BCEDRO CO[C@H]1CC[N@H+](CC(=O)NCCC#N)[C@H](C)C1 ZINC000799344304 586172470 /nfs/dbraw/zinc/17/24/70/586172470.db2.gz UYZNSOXOHDNZJF-MNOVXSKESA-N 1 0 239.319 0.516 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC)C2)nc1 ZINC000839900759 586214428 /nfs/dbraw/zinc/21/44/28/586214428.db2.gz VHTMOILDYLLCNN-LBPRGKRZSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000839900697 586219594 /nfs/dbraw/zinc/21/95/94/586219594.db2.gz TYCPIKAODQJGAS-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)Nc1nccn1CC ZINC000839905462 586223515 /nfs/dbraw/zinc/22/35/15/586223515.db2.gz XJSPRLIKVIROTD-NSHDSACASA-N 1 0 246.314 0.939 20 30 BCEDRO CC#CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000801154725 586243976 /nfs/dbraw/zinc/24/39/76/586243976.db2.gz LLDNPAOHGWGBFQ-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO CC#CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000801173874 586244917 /nfs/dbraw/zinc/24/49/17/586244917.db2.gz GAZGZVILVWNVRA-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)[C@H]1CCCCNC1=O ZINC000801917749 586276567 /nfs/dbraw/zinc/27/65/67/586276567.db2.gz NRPBVEMUVQVARV-QWRGUYRKSA-N 1 0 239.319 0.516 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000801921643 586277212 /nfs/dbraw/zinc/27/72/12/586277212.db2.gz IJARDMXDQRJOKU-NWDGAFQWSA-N 1 0 242.319 0.388 20 30 BCEDRO C=CCN1CCN(C[NH+]2CCCC2)C1=O ZINC000839948089 586278188 /nfs/dbraw/zinc/27/81/88/586278188.db2.gz FLJJVPLYUABYQZ-UHFFFAOYSA-N 1 0 209.293 0.963 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](CC(N)=O)C(C)(C)C ZINC000801929628 586278274 /nfs/dbraw/zinc/27/82/74/586278274.db2.gz RAFBMBSWHTZVFZ-VIFPVBQESA-N 1 0 227.308 0.501 20 30 BCEDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000801934780 586278287 /nfs/dbraw/zinc/27/82/87/586278287.db2.gz QYDLBJQWLSJZIJ-MNOVXSKESA-N 1 0 240.303 0.943 20 30 BCEDRO COC(=O)C[C@@H]([NH2+]CCO[C@@H](C)C#N)C1CC1 ZINC000801940099 586280890 /nfs/dbraw/zinc/28/08/90/586280890.db2.gz YBGQRKVCJCZYSO-GXSJLCMTSA-N 1 0 240.303 0.846 20 30 BCEDRO C[C@H](C#N)OCCN(C)CC[N@H+](C)C1CC1 ZINC000801942111 586281668 /nfs/dbraw/zinc/28/16/68/586281668.db2.gz IOEBIBBVFUZDKD-LLVKDONJSA-N 1 0 225.336 0.941 20 30 BCEDRO COCC[C@@]1([NH2+]CCO[C@H](C)C#N)CCOC1 ZINC000801952323 586282108 /nfs/dbraw/zinc/28/21/08/586282108.db2.gz SMOGOMNXIOQKNV-VXGBXAGGSA-N 1 0 242.319 0.700 20 30 BCEDRO COCCC[N@H+](CCO)CCO[C@@H](C)C#N ZINC000801947161 586282626 /nfs/dbraw/zinc/28/26/26/586282626.db2.gz RWPYRJCOYLBRGF-NSHDSACASA-N 1 0 230.308 0.246 20 30 BCEDRO CC(C)C(Cn1cccn1)=NNC1=[NH+][C@@H](C)CN1 ZINC000802712512 586310525 /nfs/dbraw/zinc/31/05/25/586310525.db2.gz PNNVEXZJASLRMO-JTQLQIEISA-N 1 0 248.334 0.832 20 30 BCEDRO C=C(CO)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804564872 586399454 /nfs/dbraw/zinc/39/94/54/586399454.db2.gz QMHHHBSYMIGKRE-FOSCPWQOSA-N 1 0 238.331 0.619 20 30 BCEDRO CON=CC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000804564712 586399644 /nfs/dbraw/zinc/39/96/44/586399644.db2.gz JYWKOZAZBWWVGC-ZACCUICWSA-N 1 0 239.319 0.702 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861686742 589174472 /nfs/dbraw/zinc/17/44/72/589174472.db2.gz SADZBLWPFZUJFZ-VHSXEESVSA-N 1 0 209.293 0.449 20 30 BCEDRO CCO[C@@H]1CC(N=NC(N)=[NH2+])[C@@H]1SC ZINC000807962583 586453582 /nfs/dbraw/zinc/45/35/82/586453582.db2.gz ZOUWHWNXPYNTNU-RQJHMYQMSA-N 1 0 216.310 0.366 20 30 BCEDRO CC[NH+]1CCC(NC(=O)C=NOC)CC1 ZINC000809571833 586507381 /nfs/dbraw/zinc/50/73/81/586507381.db2.gz DADGKMCDJOOYSC-UHFFFAOYSA-N 1 0 213.281 0.219 20 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CON=CC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000809693651 586513247 /nfs/dbraw/zinc/51/32/47/586513247.db2.gz CKQMJXZQLIPMEP-IUCAKERBSA-N 1 0 213.281 0.218 20 30 BCEDRO CCC[N@H+](C)C[C@H]1CCN(C(=O)C=NOC)C1 ZINC000809701461 586514045 /nfs/dbraw/zinc/51/40/45/586514045.db2.gz FWYQNNKLPRGENR-LLVKDONJSA-N 1 0 241.335 0.809 20 30 BCEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)C=NOC)C[C@H]1C ZINC000809740568 586516001 /nfs/dbraw/zinc/51/60/01/586516001.db2.gz DQPDSLVFHBHVDK-NXEZZACHSA-N 1 0 227.308 0.560 20 30 BCEDRO CON=CC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000809800998 586521024 /nfs/dbraw/zinc/52/10/24/586521024.db2.gz JHJXLCHQNDRMIT-SNVBAGLBSA-N 1 0 241.335 0.855 20 30 BCEDRO C#CCOCCC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000811602232 586562162 /nfs/dbraw/zinc/56/21/62/586562162.db2.gz YXKJDGOCNSCGGK-LBPRGKRZSA-N 1 0 240.347 0.871 20 30 BCEDRO CC[C@@H](O)CN[NH+]=Cc1cnccc1N(C)C ZINC000811652832 586563425 /nfs/dbraw/zinc/56/34/25/586563425.db2.gz ZGBPJNVKHUBSIP-LLVKDONJSA-N 1 0 236.319 0.842 20 30 BCEDRO CC[C@@H](O)CN[NH+]=Cc1cnc(N(C)C)n1C ZINC000811655428 586563959 /nfs/dbraw/zinc/56/39/59/586563959.db2.gz NUNVHTZQVAYCMO-SNVBAGLBSA-N 1 0 239.323 0.181 20 30 BCEDRO C#CCOCCc1nc([C@@H]2CCC[NH2+]2)no1 ZINC000842639574 586570210 /nfs/dbraw/zinc/57/02/10/586570210.db2.gz RAQRCRFUDZCSFJ-VIFPVBQESA-N 1 0 221.260 0.686 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2C[N@H+](C)CC[C@@H]2C1 ZINC000812336135 586573855 /nfs/dbraw/zinc/57/38/55/586573855.db2.gz ZCFFKQSUDMQZER-NEPJUHHUSA-N 1 0 238.331 0.599 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@H](C)C[NH+](C)C)nc1 ZINC000814138427 586614464 /nfs/dbraw/zinc/61/44/64/586614464.db2.gz TXNFKUUWOGCPQH-NSHDSACASA-N 1 0 245.326 0.990 20 30 BCEDRO C#CCCCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000814144383 586614614 /nfs/dbraw/zinc/61/46/14/586614614.db2.gz HIXNWORNKSAGCS-RYUDHWBXSA-N 1 0 220.316 0.952 20 30 BCEDRO CCn1ncn(N=C2C[C@H](C)N(C3CC3)C2)c1=O ZINC000814233948 586619023 /nfs/dbraw/zinc/61/90/23/586619023.db2.gz BZZDZUWRHVVMFM-VIFPVBQESA-N 1 0 249.318 0.525 20 30 BCEDRO CNC(=S)NN=C(C)C1CC[NH+](C)CC1 ZINC000814691875 586629584 /nfs/dbraw/zinc/62/95/84/586629584.db2.gz CIIDGUUBKCSXJC-UHFFFAOYSA-N 1 0 228.365 0.798 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cccc(-n2cnnc2)c1 ZINC000814796667 586634615 /nfs/dbraw/zinc/63/46/15/586634615.db2.gz KTHVEQBRTJGMAF-UHFFFAOYSA-N 1 0 243.274 0.474 20 30 BCEDRO CC(=NNS(C)(=O)=O)C1CC[NH+](C)CC1 ZINC000814873031 586641427 /nfs/dbraw/zinc/64/14/27/586641427.db2.gz JELRPFYNYFFDMU-UHFFFAOYSA-N 1 0 233.337 0.253 20 30 BCEDRO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cc[nH]n1 ZINC000814886039 586642840 /nfs/dbraw/zinc/64/28/40/586642840.db2.gz PMCUKHCTKOSCIX-GHMZBOCLSA-N 1 0 246.318 0.994 20 30 BCEDRO C#CC[N@@H+](C)CCCNc1nccc(N(C)C)n1 ZINC000814929991 586652701 /nfs/dbraw/zinc/65/27/01/586652701.db2.gz RDQVQJCWHFBJBH-UHFFFAOYSA-N 1 0 247.346 0.910 20 30 BCEDRO CC(C)[N@@H+]1CC(N=NC[C@H](C)O)[C@H](C)C1 ZINC000814960982 586659366 /nfs/dbraw/zinc/65/93/66/586659366.db2.gz WIPXXPKAVJZFEU-ZJUUUORDSA-N 1 0 213.325 0.673 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1cnnn1C ZINC000814979514 586662415 /nfs/dbraw/zinc/66/24/15/586662415.db2.gz KLWYHGQKYLRWSH-ZETCQYMHSA-N 1 0 208.269 0.165 20 30 BCEDRO CC[N@@H+]1CCC(N=Nc2cnnn2C)[C@H](C)C1 ZINC000814983218 586663487 /nfs/dbraw/zinc/66/34/87/586663487.db2.gz DJZOFVOXSHBQRV-SECBINFHSA-N 1 0 236.323 0.945 20 30 BCEDRO CC[N@@H+]1CCC(N=Nc2cnnn2C)[C@@H](C)C1 ZINC000814983220 586663579 /nfs/dbraw/zinc/66/35/79/586663579.db2.gz DJZOFVOXSHBQRV-VIFPVBQESA-N 1 0 236.323 0.945 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)C[C@H]1CCOC1 ZINC000815020328 586664355 /nfs/dbraw/zinc/66/43/55/586664355.db2.gz BKTIACWZIDFDJJ-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO CC[N@H+](CC(=O)NC)[C@@H]1CC[C@@H](C#N)C1 ZINC000815020916 586664674 /nfs/dbraw/zinc/66/46/74/586664674.db2.gz HBPMISWGDMBEDX-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO COC(=O)C[C@H]([NH2+]CCOCCC#N)C1CC1 ZINC000815088969 586665653 /nfs/dbraw/zinc/66/56/53/586665653.db2.gz MLRAMZICVPRRGP-NSHDSACASA-N 1 0 240.303 0.848 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](C)[C@@H](F)C1 ZINC000815087966 586666165 /nfs/dbraw/zinc/66/61/65/586666165.db2.gz WLCHFUVYRYPNBI-QWRGUYRKSA-N 1 0 226.295 0.806 20 30 BCEDRO COC(=O)C[C@@H]([NH2+]CCOCCC#N)C1CC1 ZINC000815088968 586666208 /nfs/dbraw/zinc/66/62/08/586666208.db2.gz MLRAMZICVPRRGP-LLVKDONJSA-N 1 0 240.303 0.848 20 30 BCEDRO COC[C@H]([NH2+]CCOCCC#N)[C@H]1CCCO1 ZINC000815102446 586666871 /nfs/dbraw/zinc/66/68/71/586666871.db2.gz IZORVYOZDHXRHY-NWDGAFQWSA-N 1 0 242.319 0.700 20 30 BCEDRO CON=CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000816310182 586717494 /nfs/dbraw/zinc/71/74/94/586717494.db2.gz OKSYRWQWEUNWGW-RKDXNWHRSA-N 1 0 213.281 0.218 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000859830550 589064226 /nfs/dbraw/zinc/06/42/26/589064226.db2.gz YOKQDPLCQAZEMG-NOHGZBONSA-N 1 0 238.331 0.527 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000816811208 586765394 /nfs/dbraw/zinc/76/53/94/586765394.db2.gz QGHGNNPWMNPGNQ-LLVKDONJSA-N 1 0 228.336 0.768 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000817043399 586779791 /nfs/dbraw/zinc/77/97/91/586779791.db2.gz IRNREDAXZGCDAO-GFCCVEGCSA-N 1 0 224.304 0.089 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NOCCC1CC1 ZINC000817393296 586800784 /nfs/dbraw/zinc/80/07/84/586800784.db2.gz NHVDNMJROHEARJ-UHFFFAOYSA-N 1 0 212.293 0.952 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817494540 586808013 /nfs/dbraw/zinc/80/80/13/586808013.db2.gz KBZVWORREJNZPF-VXGBXAGGSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000859888852 589069257 /nfs/dbraw/zinc/06/92/57/589069257.db2.gz KXMUERRYMHOSMA-UHIISALHSA-N 1 0 211.330 0.995 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000859926813 589071856 /nfs/dbraw/zinc/07/18/56/589071856.db2.gz XTTGQXAWCCOTJD-QWHCGFSZSA-N 1 0 223.316 0.731 20 30 BCEDRO CCc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)nn1C ZINC000818231306 586880489 /nfs/dbraw/zinc/88/04/89/586880489.db2.gz TZPPLUFFQLNJQO-JTQLQIEISA-N 1 0 249.318 0.942 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1ccnn1CC ZINC000818606302 586905334 /nfs/dbraw/zinc/90/53/34/586905334.db2.gz KTNWHKFXTGTKNG-UHFFFAOYSA-N 1 0 248.330 0.588 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)/C=C\SC ZINC000818612335 586906303 /nfs/dbraw/zinc/90/63/03/586906303.db2.gz WSACEKPEVFDKCF-POHAHGRESA-N 1 0 226.345 0.934 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C[C@H](O)CCC ZINC000818615521 586906957 /nfs/dbraw/zinc/90/69/57/586906957.db2.gz ODQIZNBNDADPFY-GFCCVEGCSA-N 1 0 240.347 0.609 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)[C@@H](C)CO ZINC000818630376 586908161 /nfs/dbraw/zinc/90/81/61/586908161.db2.gz COCQXUYDIVNVAR-JTQLQIEISA-N 1 0 214.309 0.334 20 30 BCEDRO N#Cc1ccc(NCC[NH2+]C[C@@H](O)C2CC2)nc1 ZINC000818952167 586917316 /nfs/dbraw/zinc/91/73/16/586917316.db2.gz GZPNBEUDRRNZBL-GFCCVEGCSA-N 1 0 246.314 0.726 20 30 BCEDRO C#CCNC(=O)CCNCc1nc(C2CC2)no1 ZINC000818965549 586918538 /nfs/dbraw/zinc/91/85/38/586918538.db2.gz IVRQVECPHXHCBY-UHFFFAOYSA-N 1 0 248.286 0.176 20 30 BCEDRO C#CCSCC[NH2+]CCC(=O)N(C)OC ZINC000819093750 586930530 /nfs/dbraw/zinc/93/05/30/586930530.db2.gz WMCFYRFUHZPENU-UHFFFAOYSA-N 1 0 230.333 0.352 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC1CCC1 ZINC000819146325 586933213 /nfs/dbraw/zinc/93/32/13/586933213.db2.gz OKDJVKFUJITWKM-UHFFFAOYSA-N 1 0 208.305 0.906 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCC1CCC1 ZINC000819145318 586933246 /nfs/dbraw/zinc/93/32/46/586933246.db2.gz CNTWOZCMCNLGNO-ZDUSSCGKSA-N 1 0 239.363 0.973 20 30 BCEDRO C#CCCCC[NH2+]CCC(=O)N(C)OC ZINC000819157033 586934194 /nfs/dbraw/zinc/93/41/94/586934194.db2.gz LRJWLNRZBPSNKY-UHFFFAOYSA-N 1 0 212.293 0.789 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)C#N ZINC000819219819 586939841 /nfs/dbraw/zinc/93/98/41/586939841.db2.gz VFWXCGWLGUPVBV-UHFFFAOYSA-N 1 0 207.277 0.265 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)c1ccc(F)cn1 ZINC000819228072 586940445 /nfs/dbraw/zinc/94/04/45/586940445.db2.gz GJSWMHQGNUFIOY-LBPRGKRZSA-N 1 0 238.262 0.494 20 30 BCEDRO CON(C)C(=O)CC[NH2+]CC1(CC#N)CC1 ZINC000819280313 586947929 /nfs/dbraw/zinc/94/79/29/586947929.db2.gz BHWYMRCKXXFOHT-UHFFFAOYSA-N 1 0 225.292 0.680 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(C#N)cn1 ZINC000819310965 586950194 /nfs/dbraw/zinc/95/01/94/586950194.db2.gz FQSBQCRVUNNZFJ-UHFFFAOYSA-N 1 0 242.282 0.182 20 30 BCEDRO Cc1ccccc1[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC000819311867 586950213 /nfs/dbraw/zinc/95/02/13/586950213.db2.gz POEAFIUWEXVTTC-LBPRGKRZSA-N 1 0 247.298 0.258 20 30 BCEDRO CCOCC[C@@H](O)C[NH2+]Cc1ccc(C#N)cn1 ZINC000819311593 586950270 /nfs/dbraw/zinc/95/02/70/586950270.db2.gz LIDSCUSDMCILNP-CYBMUJFWSA-N 1 0 249.314 0.830 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@H](O)C2CC2)nc1 ZINC000819311040 586950319 /nfs/dbraw/zinc/95/03/19/586950319.db2.gz HDYCZLATNJGCQC-LBPRGKRZSA-N 1 0 217.272 0.814 20 30 BCEDRO CCOC[C@H](O)C[NH2+]Cc1ccc(C#N)cn1 ZINC000819310493 586950358 /nfs/dbraw/zinc/95/03/58/586950358.db2.gz BEYPZYXAFWOTTM-GFCCVEGCSA-N 1 0 235.287 0.440 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@H](O)C1CC1 ZINC000819334098 586952985 /nfs/dbraw/zinc/95/29/85/586952985.db2.gz BXTKTZLNBJPUJL-LBPRGKRZSA-N 1 0 210.321 0.302 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC2(C1)CCOC2 ZINC000819378549 586959019 /nfs/dbraw/zinc/95/90/19/586959019.db2.gz IYSRZIWFRCIUMF-UHFFFAOYSA-N 1 0 224.304 0.353 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC000819382908 586959847 /nfs/dbraw/zinc/95/98/47/586959847.db2.gz SEJJAQKNVVSFMJ-UWVGGRQHSA-N 1 0 233.333 0.212 20 30 BCEDRO CC#CC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000819719176 586988421 /nfs/dbraw/zinc/98/84/21/586988421.db2.gz NXMMINVDBCDSKG-WDEREUQCSA-N 1 0 206.289 0.562 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC(C)(C(=O)OC)C1 ZINC000819761130 586990505 /nfs/dbraw/zinc/99/05/05/586990505.db2.gz URUFQROPBZBLER-UHFFFAOYSA-N 1 0 240.303 0.126 20 30 BCEDRO CCCCNN=C1CC[NH+](CCO)CC1 ZINC000819805971 586996125 /nfs/dbraw/zinc/99/61/25/586996125.db2.gz FVOAJUYZACOAEO-UHFFFAOYSA-N 1 0 213.325 0.820 20 30 BCEDRO Cc1cc(N=NC2CC[NH+](CCO)CC2)ncn1 ZINC000819808528 586996357 /nfs/dbraw/zinc/99/63/57/586996357.db2.gz XIUWYQDCOVOJHJ-UHFFFAOYSA-N 1 0 249.318 0.641 20 30 BCEDRO COCCON=C1CC[NH+](CCO)CC1 ZINC000819808708 586996542 /nfs/dbraw/zinc/99/65/42/586996542.db2.gz QZHFTQLTRKQMBV-UHFFFAOYSA-N 1 0 216.281 0.094 20 30 BCEDRO CS[C@@H]1CCC1=NNC1=[NH+][C@H](C)CN1 ZINC000819811810 586997272 /nfs/dbraw/zinc/99/72/72/586997272.db2.gz CMUZLUKRKCFNTP-HTRCEHHLSA-N 1 0 212.322 0.805 20 30 BCEDRO OCC[NH+]1CCC(N=Nc2ccncc2)CC1 ZINC000819812796 586997387 /nfs/dbraw/zinc/99/73/87/586997387.db2.gz PHJHMXIQGUTBQL-UHFFFAOYSA-N 1 0 234.303 0.360 20 30 BCEDRO CC(C)ON=C1CC[NH+](CCO)CC1 ZINC000819813459 586997673 /nfs/dbraw/zinc/99/76/73/586997673.db2.gz OQLYTYYWKNREKJ-UHFFFAOYSA-N 1 0 200.282 0.856 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000860089874 589080137 /nfs/dbraw/zinc/08/01/37/589080137.db2.gz IVYCRXOISBJBMJ-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000820065123 587017211 /nfs/dbraw/zinc/01/72/11/587017211.db2.gz UCCAHYPNBIQXJI-RYUDHWBXSA-N 1 0 240.347 0.607 20 30 BCEDRO C#CCCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000820346305 587044679 /nfs/dbraw/zinc/04/46/79/587044679.db2.gz FNSPUPUVHUJGSG-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000820416583 587047223 /nfs/dbraw/zinc/04/72/23/587047223.db2.gz HVKVPFCJYYOQAF-SNVBAGLBSA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000820416582 587047392 /nfs/dbraw/zinc/04/73/92/587047392.db2.gz HVKVPFCJYYOQAF-JTQLQIEISA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000820435305 587048886 /nfs/dbraw/zinc/04/88/86/587048886.db2.gz HVJRQFBVZUELHT-LLVKDONJSA-N 1 0 235.331 0.888 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000820436233 587049023 /nfs/dbraw/zinc/04/90/23/587049023.db2.gz UOZYVBWQVRABAL-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[NH+](C(C)C)CC1 ZINC000820440670 587049500 /nfs/dbraw/zinc/04/95/00/587049500.db2.gz MWIPRWUVORKLAR-NSHDSACASA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCN(CC#C)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000820456784 587050106 /nfs/dbraw/zinc/05/01/06/587050106.db2.gz FHANTMGDNNFASQ-LBPRGKRZSA-N 1 0 218.300 0.423 20 30 BCEDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N1CC(C#N)C1 ZINC000820507098 587051931 /nfs/dbraw/zinc/05/19/31/587051931.db2.gz OMZAQQJCRZYIDH-NSHDSACASA-N 1 0 221.304 0.841 20 30 BCEDRO C[C@@H]1CC(NC(=O)C[NH+]2CCCC2)=NO1 ZINC000821399563 587117385 /nfs/dbraw/zinc/11/73/85/587117385.db2.gz MOQATNGGVSMJGT-MRVPVSSYSA-N 1 0 211.265 0.321 20 30 BCEDRO C#CCOCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000821881540 587145425 /nfs/dbraw/zinc/14/54/25/587145425.db2.gz KXALREYRGIZLOW-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCOCCNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000821882385 587145481 /nfs/dbraw/zinc/14/54/81/587145481.db2.gz ZIBLGKVQZJFBNA-NSHDSACASA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000822235556 587159029 /nfs/dbraw/zinc/15/90/29/587159029.db2.gz MFKZGLZFLVFBEX-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCn1cc(CNC(=O)C[NH+]2CCCC2)cn1 ZINC000822495536 587171819 /nfs/dbraw/zinc/17/18/19/587171819.db2.gz YGLSEFOTUYJZBY-UHFFFAOYSA-N 1 0 246.314 0.228 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000822626526 587177868 /nfs/dbraw/zinc/17/78/68/587177868.db2.gz XFPANMAGSOMMDM-ZYHUDNBSSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000822673427 587180147 /nfs/dbraw/zinc/18/01/47/587180147.db2.gz QZQRQJYZWJDVDM-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO N#Cc1ccc(CNC(=O)C[NH+]2CCCC2)nc1 ZINC000822950170 587195215 /nfs/dbraw/zinc/19/52/15/587195215.db2.gz ZFKLKXCHISBTBV-UHFFFAOYSA-N 1 0 244.298 0.665 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000823024514 587198564 /nfs/dbraw/zinc/19/85/64/587198564.db2.gz DGEQKOZXAKCCRO-NWDGAFQWSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000823024515 587198686 /nfs/dbraw/zinc/19/86/86/587198686.db2.gz DGEQKOZXAKCCRO-RYUDHWBXSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000823054798 587200210 /nfs/dbraw/zinc/20/02/10/587200210.db2.gz CYXJZZHBODSGGO-WDEREUQCSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CC[C@H](CO)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000823053693 587200302 /nfs/dbraw/zinc/20/03/02/587200302.db2.gz SXAWKCZJNVCUFR-LLVKDONJSA-N 1 0 240.347 0.465 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)C(F)(F)F ZINC000863588975 589302816 /nfs/dbraw/zinc/30/28/16/589302816.db2.gz IQVOPPPIKALIBO-IUCAKERBSA-N 1 0 239.237 0.928 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000824143929 587257875 /nfs/dbraw/zinc/25/78/75/587257875.db2.gz XUYAVQOXXCACIK-HBNTYKKESA-N 1 0 247.360 0.743 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000824143928 587257968 /nfs/dbraw/zinc/25/79/68/587257968.db2.gz XUYAVQOXXCACIK-GMTAPVOTSA-N 1 0 247.360 0.743 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000824143924 587258142 /nfs/dbraw/zinc/25/81/42/587258142.db2.gz XUYAVQOXXCACIK-GARJFASQSA-N 1 0 247.360 0.743 20 30 BCEDRO C#C[C@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000824290408 587264839 /nfs/dbraw/zinc/26/48/39/587264839.db2.gz LYOVARZYNPMRKN-LBPRGKRZSA-N 1 0 220.316 0.954 20 30 BCEDRO C[C@H](C#N)N(C(=O)C[NH+]1CCCC1)C1CC1 ZINC000824459678 587271035 /nfs/dbraw/zinc/27/10/35/587271035.db2.gz RZLJZLDSTWOFBY-SNVBAGLBSA-N 1 0 221.304 0.985 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)NCCC#N)[C@@H]2C1 ZINC000824523484 587273091 /nfs/dbraw/zinc/27/30/91/587273091.db2.gz GOYTVGGPAZIADX-WDEREUQCSA-N 1 0 236.319 0.636 20 30 BCEDRO CN(CC(=O)n1ncc(C#N)c1N)CC(C)(C)C ZINC000824818917 587288561 /nfs/dbraw/zinc/28/85/61/587288561.db2.gz YWFHNIJHIXZOEN-UHFFFAOYSA-N 1 0 249.318 0.955 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000826085447 587350619 /nfs/dbraw/zinc/35/06/19/587350619.db2.gz FGJQDSNMDXYZBX-VXGBXAGGSA-N 1 0 238.331 0.577 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)CCC ZINC000827117804 587370276 /nfs/dbraw/zinc/37/02/76/587370276.db2.gz PQHVUGURJKCLDM-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827256393 587374492 /nfs/dbraw/zinc/37/44/92/587374492.db2.gz WGFXQCGVVAVCSQ-MXWKQRLJSA-N 1 0 224.304 0.086 20 30 BCEDRO CON=CC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827265351 587374689 /nfs/dbraw/zinc/37/46/89/587374689.db2.gz HDTXGLDDOXJYPL-VHSXEESVSA-N 1 0 225.292 0.171 20 30 BCEDRO CC#CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827266354 587374711 /nfs/dbraw/zinc/37/47/11/587374711.db2.gz KBSLFBIJYMOYBH-MNOVXSKESA-N 1 0 206.289 0.562 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000827384101 587379077 /nfs/dbraw/zinc/37/90/77/587379077.db2.gz NPBFJZNZABRRHW-SDDRHHMPSA-N 1 0 238.331 0.576 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1[C@H](C)C[N@@H+](C)C[C@@H]1C ZINC000827384097 587379196 /nfs/dbraw/zinc/37/91/96/587379196.db2.gz NPBFJZNZABRRHW-GRYCIOLGSA-N 1 0 238.331 0.576 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)COCCOC)C(C)C ZINC000827438900 587381067 /nfs/dbraw/zinc/38/10/67/587381067.db2.gz XTXPXUVMWODECJ-LBPRGKRZSA-N 1 0 231.336 0.907 20 30 BCEDRO C#CCN1CCN(C(=O)Cc2occc2C)CC1 ZINC000827526165 587386014 /nfs/dbraw/zinc/38/60/14/587386014.db2.gz HWYPNFYZXKVFTA-UHFFFAOYSA-N 1 0 246.310 0.908 20 30 BCEDRO C#Cc1cnc(N2CCC[N@@H+](CC)CC2)nc1 ZINC000827601883 587391840 /nfs/dbraw/zinc/39/18/40/587391840.db2.gz MQKSNWQIWKCING-UHFFFAOYSA-N 1 0 230.315 0.990 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1(CO)CCCC1 ZINC000827802743 587402902 /nfs/dbraw/zinc/40/29/02/587402902.db2.gz DXKAMYZNVYGGIK-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@](C)(CC)CO ZINC000827821973 587404271 /nfs/dbraw/zinc/40/42/71/587404271.db2.gz YCQQKIOKTIXZRR-LLVKDONJSA-N 1 0 214.309 0.381 20 30 BCEDRO COc1ccc(C#N)cc1CON=C(N)CCO ZINC000121368046 587410214 /nfs/dbraw/zinc/41/02/14/587410214.db2.gz WVDDXJOQMYINQZ-UHFFFAOYSA-N 1 0 249.270 0.738 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@H]1[C@H]2[C@@H]1[C@@H]1CC[C@H]2C1 ZINC000827971915 587414129 /nfs/dbraw/zinc/41/41/29/587414129.db2.gz MAOLOQBBYJFWPQ-SIMOQEFBSA-N 1 0 246.354 0.960 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(C)CCC[NH+](C)C ZINC000828519119 587446996 /nfs/dbraw/zinc/44/69/96/587446996.db2.gz GJISLLJOAOBYAF-NSHDSACASA-N 1 0 226.320 0.435 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000828839424 587465808 /nfs/dbraw/zinc/46/58/08/587465808.db2.gz BMLVOPXAGPFSRU-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)[C@@H](O)CCC)C1 ZINC000829582002 587504404 /nfs/dbraw/zinc/50/44/04/587504404.db2.gz IBBCLQKBOBAKFD-RYUDHWBXSA-N 1 0 238.331 0.361 20 30 BCEDRO C=CC[C@@H](NC(=O)COCC[NH3+])c1ccncc1 ZINC000829689916 587510030 /nfs/dbraw/zinc/51/00/30/587510030.db2.gz GLLMCCOJSVIWAL-GFCCVEGCSA-N 1 0 249.314 0.790 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@@H](CC#C)C1 ZINC000829768599 587514644 /nfs/dbraw/zinc/51/46/44/587514644.db2.gz HKMSUSCDAYSUBG-GFCCVEGCSA-N 1 0 218.300 0.471 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000829783989 587515635 /nfs/dbraw/zinc/51/56/35/587515635.db2.gz CXNFIENNRDGPQN-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000829779428 587515705 /nfs/dbraw/zinc/51/57/05/587515705.db2.gz UONAOLAPACQPCN-GFCCVEGCSA-N 1 0 248.326 0.871 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000829788828 587516175 /nfs/dbraw/zinc/51/61/75/587516175.db2.gz HQQURERRNNRRKS-QWRGUYRKSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](O)COC)C1 ZINC000829785010 587516515 /nfs/dbraw/zinc/51/65/15/587516515.db2.gz PCJVZMMFYLBWKR-NEPJUHHUSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CC2(CO)COC2)C1 ZINC000829789508 587516681 /nfs/dbraw/zinc/51/66/81/587516681.db2.gz XENXHGJXCZQGMJ-LBPRGKRZSA-N 1 0 223.316 0.731 20 30 BCEDRO C#CCNC(=O)CN1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000830074316 587534664 /nfs/dbraw/zinc/53/46/64/587534664.db2.gz KPZOEPIXYOWSNZ-LBPRGKRZSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](O)CCC)CC1 ZINC000830162344 587539800 /nfs/dbraw/zinc/53/98/00/587539800.db2.gz IVXAADFZDYHWAR-LBPRGKRZSA-N 1 0 238.331 0.361 20 30 BCEDRO N#CCCNC(=O)CSCC1CC[NH2+]CC1 ZINC000830470119 587552716 /nfs/dbraw/zinc/55/27/16/587552716.db2.gz AFGNLSGJBLXHFK-UHFFFAOYSA-N 1 0 241.360 0.749 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C)[C@H]1CO ZINC000830708924 587564854 /nfs/dbraw/zinc/56/48/54/587564854.db2.gz YSQMNCMFCQBTGO-MWLCHTKSSA-N 1 0 226.320 0.334 20 30 BCEDRO C#CCCCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000831055162 587584208 /nfs/dbraw/zinc/58/42/08/587584208.db2.gz GSEXIBYPIPQHJW-GFCCVEGCSA-N 1 0 223.320 0.841 20 30 BCEDRO C#CCOCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000831146978 587587482 /nfs/dbraw/zinc/58/74/82/587587482.db2.gz PGDAGVDJBAOFOF-VHSXEESVSA-N 1 0 227.308 0.061 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@](O)(C(F)F)C1 ZINC000831175241 587589123 /nfs/dbraw/zinc/58/91/23/587589123.db2.gz HXCMOJAVBCFMTK-PSASIEDQSA-N 1 0 221.247 0.625 20 30 BCEDRO COCC#CCN1CC[C@](O)(C(F)F)C1 ZINC000831176744 587589400 /nfs/dbraw/zinc/58/94/00/587589400.db2.gz ZHIOAPMJFSLYHG-SNVBAGLBSA-N 1 0 219.231 0.338 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831193509 587591103 /nfs/dbraw/zinc/59/11/03/587591103.db2.gz MIYYSRHLBNTPBG-SNVBAGLBSA-N 1 0 221.304 0.403 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](OC)C(C)(C)C1 ZINC000831539788 587617823 /nfs/dbraw/zinc/61/78/23/587617823.db2.gz XANSLXWOFXHZDM-NSHDSACASA-N 1 0 238.331 0.483 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCC(=O)N(C)OC ZINC000831683524 587627609 /nfs/dbraw/zinc/62/76/09/587627609.db2.gz UZMNJGVDBIJOOJ-ZJUUUORDSA-N 1 0 228.292 0.329 20 30 BCEDRO CCO[C@@H](CNC(=O)[C@@H](C)CC#N)C[NH+](C)C ZINC000831709343 587628696 /nfs/dbraw/zinc/62/86/96/587628696.db2.gz ZCVAHLVKLZHLKA-QWRGUYRKSA-N 1 0 241.335 0.619 20 30 BCEDRO C=CCn1cc(CNC(=O)C[C@@H]([NH3+])C2CC2)nn1 ZINC000831748609 587629648 /nfs/dbraw/zinc/62/96/48/587629648.db2.gz HWXRDVIZBGHDDF-LLVKDONJSA-N 1 0 249.318 0.208 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000832219489 587651133 /nfs/dbraw/zinc/65/11/33/587651133.db2.gz FSIXWCAXNZIVOZ-VXGBXAGGSA-N 1 0 240.347 0.870 20 30 BCEDRO C#CCC(CC#C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000832690705 587677872 /nfs/dbraw/zinc/67/78/72/587677872.db2.gz JRCDXMXYIAJMLU-UONOGXRCSA-N 1 0 244.338 0.812 20 30 BCEDRO CC(C)C#CC(=O)N1CC[NH+]2CCC1CC2 ZINC000832815365 587691833 /nfs/dbraw/zinc/69/18/33/587691833.db2.gz LRYXZRIBSWAOBK-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](CC)CO ZINC000833790182 587731826 /nfs/dbraw/zinc/73/18/26/587731826.db2.gz ISWNKLSRLNFZMD-JTQLQIEISA-N 1 0 214.309 0.334 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](CO)[C@H]1CC ZINC000834094785 587745017 /nfs/dbraw/zinc/74/50/17/587745017.db2.gz SENWADFTVYRQHQ-NWDGAFQWSA-N 1 0 240.347 0.724 20 30 BCEDRO C#CCN(C1CC1)S(=O)(=O)CCC[NH+](C)C ZINC000867109447 587750245 /nfs/dbraw/zinc/75/02/45/587750245.db2.gz LQEUPIJXLMLLPE-UHFFFAOYSA-N 1 0 244.360 0.366 20 30 BCEDRO C=C[C@H](O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000834367823 587753199 /nfs/dbraw/zinc/75/31/99/587753199.db2.gz BIVCVQVUPJDFOV-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CC(C(C)C)C1 ZINC000834374759 587753475 /nfs/dbraw/zinc/75/34/75/587753475.db2.gz XMHKIKXZFVSEOY-UHFFFAOYSA-N 1 0 208.305 0.714 20 30 BCEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C(F)(F)F ZINC000834479578 587755559 /nfs/dbraw/zinc/75/55/59/587755559.db2.gz GGCMCORXDUXTSZ-VQVTYTSYSA-N 1 0 235.209 0.413 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H]1CCCCO1 ZINC000834479558 587756001 /nfs/dbraw/zinc/75/60/01/587756001.db2.gz FWERCQSDWISOHE-VWYCJHECSA-N 1 0 237.303 0.173 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCOCC1CC1 ZINC000834480679 587756400 /nfs/dbraw/zinc/75/64/00/587756400.db2.gz USFNJCDIYDAZRO-QWRGUYRKSA-N 1 0 237.303 0.031 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cncc(F)c1 ZINC000834480535 587756426 /nfs/dbraw/zinc/75/64/26/587756426.db2.gz RSMUSJRKXAUTPI-PSASIEDQSA-N 1 0 234.234 0.062 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(N)c1 ZINC000834485131 587756541 /nfs/dbraw/zinc/75/65/41/587756541.db2.gz SAFXOJOHLFKRFV-ONGXEEELSA-N 1 0 230.271 0.110 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCO1 ZINC000834485337 587756591 /nfs/dbraw/zinc/75/65/91/587756591.db2.gz VJCICROCTXRBHY-GWOFURMSSA-N 1 0 237.303 0.029 20 30 BCEDRO CCc1cccnc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834485018 587756607 /nfs/dbraw/zinc/75/66/07/587756607.db2.gz QXIIXJKFNQNCHG-QWRGUYRKSA-N 1 0 244.298 0.485 20 30 BCEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)ccc1N ZINC000834485121 587756633 /nfs/dbraw/zinc/75/66/33/587756633.db2.gz RYDCECDVEJYNNH-JQWIXIFHSA-N 1 0 244.298 0.419 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000834485093 587756700 /nfs/dbraw/zinc/75/67/00/587756700.db2.gz RRYUKSOIMNOLNS-JQWIXIFHSA-N 1 0 244.298 0.039 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1N ZINC000834485385 587756713 /nfs/dbraw/zinc/75/67/13/587756713.db2.gz VXSUVCKPBUOAOP-JQWIXIFHSA-N 1 0 244.298 0.419 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccc(N)cc1 ZINC000834485092 587756779 /nfs/dbraw/zinc/75/67/79/587756779.db2.gz RRYUKSOIMNOLNS-CMPLNLGQSA-N 1 0 244.298 0.039 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccccc1O ZINC000834493376 587757077 /nfs/dbraw/zinc/75/70/77/587757077.db2.gz DEJWDCIHVVIZQE-MNOVXSKESA-N 1 0 245.282 0.162 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1Cc2ccccc21 ZINC000834489689 587757131 /nfs/dbraw/zinc/75/71/31/587757131.db2.gz OPOYKPSZWLIHKB-WXHSDQCUSA-N 1 0 241.294 0.554 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834495515 587757275 /nfs/dbraw/zinc/75/72/75/587757275.db2.gz WKNDFMDFZQZQEH-GMTAPVOTSA-N 1 0 237.303 0.195 20 30 BCEDRO CCCCO[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834495435 587757317 /nfs/dbraw/zinc/75/73/17/587757317.db2.gz VOJTVWPQLAHOCZ-VWYCJHECSA-N 1 0 239.319 0.419 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834495517 587757393 /nfs/dbraw/zinc/75/73/93/587757393.db2.gz WKNDFMDFZQZQEH-MXWKQRLJSA-N 1 0 237.303 0.195 20 30 BCEDRO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)O1 ZINC000834504408 587758005 /nfs/dbraw/zinc/75/80/05/587758005.db2.gz AULNCEMGVKNEPD-VPJKUYQRSA-N 1 0 237.303 0.028 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC1CCCC1 ZINC000834512187 587758146 /nfs/dbraw/zinc/75/81/46/587758146.db2.gz SQMWFYVMJYOPDZ-QWRGUYRKSA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccc(F)cc1 ZINC000834510333 587758166 /nfs/dbraw/zinc/75/81/66/587758166.db2.gz AHSDYRRUXCOREO-CMPLNLGQSA-N 1 0 247.273 0.596 20 30 BCEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(C)o1 ZINC000834512033 587758185 /nfs/dbraw/zinc/75/81/85/587758185.db2.gz RDXBOBHOOYBPFM-GXSJLCMTSA-N 1 0 233.271 0.738 20 30 BCEDRO Cc1ccoc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834510491 587758244 /nfs/dbraw/zinc/75/82/44/587758244.db2.gz BPUYIOSUMSPXMC-BDAKNGLRSA-N 1 0 219.244 0.429 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccc1F ZINC000834507248 587758357 /nfs/dbraw/zinc/75/83/57/587758357.db2.gz ZAXSMUIMTHZQPC-KWQFWETISA-N 1 0 233.246 0.667 20 30 BCEDRO Cc1noc(C)c1CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834512616 587758445 /nfs/dbraw/zinc/75/84/45/587758445.db2.gz ZHCIPBXCEAULGO-KOLCDFICSA-N 1 0 248.286 0.062 20 30 BCEDRO CCCCSCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834517177 587758668 /nfs/dbraw/zinc/75/86/68/587758668.db2.gz RMBYLBWDJNSIAR-NXEZZACHSA-N 1 0 241.360 0.747 20 30 BCEDRO CCCCSCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834517179 587758692 /nfs/dbraw/zinc/75/86/92/587758692.db2.gz RMBYLBWDJNSIAR-VHSXEESVSA-N 1 0 241.360 0.747 20 30 BCEDRO C=CCNc1ncc(C(=O)N[C@@H](C)C[NH3+])s1 ZINC000834622907 587761659 /nfs/dbraw/zinc/76/16/59/587761659.db2.gz HGTABRXQZMRPKJ-ZETCQYMHSA-N 1 0 240.332 0.818 20 30 BCEDRO C[C@@H]1CNC(NN=C2C[C@@H](C)O[C@@H](C)C2)=[NH+]1 ZINC000834970631 587774289 /nfs/dbraw/zinc/77/42/89/587774289.db2.gz NWYNOOPLOPLGLH-HLTSFMKQSA-N 1 0 224.308 0.867 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NCCSC ZINC000836204180 587828820 /nfs/dbraw/zinc/82/88/20/587828820.db2.gz ZCTMOLHWXSOHIY-UHFFFAOYSA-N 1 0 243.376 0.604 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C=C ZINC000836359116 587831447 /nfs/dbraw/zinc/83/14/47/587831447.db2.gz SXJYOXPTRKGPGH-LLVKDONJSA-N 1 0 223.320 0.815 20 30 BCEDRO C#C[C@H](C)NC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000836625580 587835815 /nfs/dbraw/zinc/83/58/15/587835815.db2.gz SUPNLAIJUCHRFI-YEJSDXFRSA-N 1 0 235.331 0.933 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NO[C@@H](CO)C(C)C ZINC000836894136 587841689 /nfs/dbraw/zinc/84/16/89/587841689.db2.gz BLAAYUJMQGJJDX-JTQLQIEISA-N 1 0 230.308 0.169 20 30 BCEDRO C#C[C@@H](C)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000867197888 587842885 /nfs/dbraw/zinc/84/28/85/587842885.db2.gz BOPGNCOTLDYMKT-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO C=C(CO)C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000837005985 587847254 /nfs/dbraw/zinc/84/72/54/587847254.db2.gz YCGNATRQGSGBLK-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO CN(C(=O)C#CC1CC1)[C@@H]1CCC[N@H+](C)C1 ZINC000837434927 587872772 /nfs/dbraw/zinc/87/27/72/587872772.db2.gz OUICFXXMFDOSSH-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)C#CC1CC1 ZINC000837464901 587874983 /nfs/dbraw/zinc/87/49/83/587874983.db2.gz LSZCUUNCDVGJRR-GXFFZTMASA-N 1 0 232.327 0.999 20 30 BCEDRO O=C(C#CC1CC1)NCC[N@H+]1CC=CCC1 ZINC000837588824 587884161 /nfs/dbraw/zinc/88/41/61/587884161.db2.gz OFBRCAQBMNEFIQ-UHFFFAOYSA-N 1 0 218.300 0.778 20 30 BCEDRO C#CCO[C@H](C)C(=O)OCCC[NH+](C)C ZINC000837843249 587899486 /nfs/dbraw/zinc/89/94/86/587899486.db2.gz OSDJZGAJLOOBGW-SNVBAGLBSA-N 1 0 213.277 0.520 20 30 BCEDRO C#CC[C@@H](NC(=O)C[NH+](CC)CC)C(=O)OC ZINC000837939845 587904245 /nfs/dbraw/zinc/90/42/45/587904245.db2.gz QEBAXCZCIMZUCE-SNVBAGLBSA-N 1 0 240.303 0.009 20 30 BCEDRO C#CC[C@H](NC(=O)[C@H](CC)[NH+](C)C)C(=O)OC ZINC000837945044 587904767 /nfs/dbraw/zinc/90/47/67/587904767.db2.gz WFZBOGDMFKGWLM-UWVGGRQHSA-N 1 0 240.303 0.008 20 30 BCEDRO C[C@H](O)CN(C)N=C1CC[N@H+](C)[C@@H](C)C1 ZINC000841650232 587967193 /nfs/dbraw/zinc/96/71/93/587967193.db2.gz DYLWEUNWQBFLHT-UWVGGRQHSA-N 1 0 213.325 0.769 20 30 BCEDRO C[C@@H](O)CN(C)N=C1CC[N@H+](C)[C@@H](C)C1 ZINC000841650234 587967327 /nfs/dbraw/zinc/96/73/27/587967327.db2.gz DYLWEUNWQBFLHT-VHSXEESVSA-N 1 0 213.325 0.769 20 30 BCEDRO C[C@@H](O)CN(C)N=C1C[C@H](C)N(C2CC2)C1 ZINC000841654911 587967916 /nfs/dbraw/zinc/96/79/16/587967916.db2.gz YUWHAZNSIBEGOB-VHSXEESVSA-N 1 0 225.336 0.912 20 30 BCEDRO Fc1cccc2c1OCCC2=NNC1=[NH+]CCN1 ZINC000841659185 587968724 /nfs/dbraw/zinc/96/87/24/587968724.db2.gz MJNYSEAXOWTFGN-UHFFFAOYSA-N 1 0 248.261 0.861 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1cccc(C#N)c1 ZINC000841658434 587968739 /nfs/dbraw/zinc/96/87/39/587968739.db2.gz AKCOKWYSXJWDRI-UHFFFAOYSA-N 1 0 227.271 0.831 20 30 BCEDRO COCc1ccc(C=NNC2=[NH+]CCN2)cc1 ZINC000841659196 587969406 /nfs/dbraw/zinc/96/94/06/587969406.db2.gz MXCOWFANOBYFQP-UHFFFAOYSA-N 1 0 232.287 0.716 20 30 BCEDRO CC[N@@H+]1CCC(N=NC2=NCCN2)[C@@H](C)C1 ZINC000841660103 587969651 /nfs/dbraw/zinc/96/96/51/587969651.db2.gz VCIUFALFRFKIOM-VIFPVBQESA-N 1 0 223.324 0.253 20 30 BCEDRO CCOc1ccc(O)c(C=NNC2=[NH+]CCN2)c1 ZINC000841661778 587969965 /nfs/dbraw/zinc/96/99/65/587969965.db2.gz OPFFAGWHOWXANO-UHFFFAOYSA-N 1 0 248.286 0.674 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccccc1C#N ZINC000841661387 587969967 /nfs/dbraw/zinc/96/99/67/587969967.db2.gz XICNYUOVKGZFDF-UHFFFAOYSA-N 1 0 227.271 0.831 20 30 BCEDRO Cc1sccc1C=NNC1=[NH+]CCN1 ZINC000841661040 587970464 /nfs/dbraw/zinc/97/04/64/587970464.db2.gz VBWGTOAKWSGCBL-UHFFFAOYSA-N 1 0 208.290 0.939 20 30 BCEDRO CCOc1ccccc1C=NNC1=[NH+]CCN1 ZINC000841663239 587970937 /nfs/dbraw/zinc/97/09/37/587970937.db2.gz VYEHSBNQVWWFGB-UHFFFAOYSA-N 1 0 232.287 0.968 20 30 BCEDRO C=C(Br)CNC(=O)NCC[NH3+] ZINC000841746036 587973811 /nfs/dbraw/zinc/97/38/11/587973811.db2.gz UHXXFXVSLQDYJQ-UHFFFAOYSA-N 1 0 222.086 0.153 20 30 BCEDRO C#CCSCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841830279 587976378 /nfs/dbraw/zinc/97/63/78/587976378.db2.gz GNXXMNDVSYWHCV-SNVBAGLBSA-N 1 0 241.360 0.404 20 30 BCEDRO C#CCSCCNC(=O)NCC[NH2+]CCC ZINC000841833060 587976769 /nfs/dbraw/zinc/97/67/69/587976769.db2.gz YVRNXXDLTFRHIE-UHFFFAOYSA-N 1 0 243.376 0.652 20 30 BCEDRO C#CCSCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841832009 587976825 /nfs/dbraw/zinc/97/68/25/587976825.db2.gz KZLLXJQPRAXYJI-SNVBAGLBSA-N 1 0 241.360 0.389 20 30 BCEDRO C#CCSCCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000841832829 587976902 /nfs/dbraw/zinc/97/69/02/587976902.db2.gz UWQGFVULMAGBPT-VIFPVBQESA-N 1 0 227.333 0.095 20 30 BCEDRO C#CCSCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000841832504 587976988 /nfs/dbraw/zinc/97/69/88/587976988.db2.gz PAQJDPUIYDHYMB-IUCAKERBSA-N 1 0 229.349 0.388 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CNc1ccccc1 ZINC000841849808 587977656 /nfs/dbraw/zinc/97/76/56/587977656.db2.gz LPMADVFHERPEDP-JQWIXIFHSA-N 1 0 244.298 0.326 20 30 BCEDRO C#CCCCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000841860556 587978790 /nfs/dbraw/zinc/97/87/90/587978790.db2.gz OZJDKUZDCPVZJN-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCOCCNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000841875183 587979894 /nfs/dbraw/zinc/97/98/94/587979894.db2.gz MJHCCDCZLMKJEK-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO C#CCOCCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000841874351 587979993 /nfs/dbraw/zinc/97/99/93/587979993.db2.gz GSHAAQPQUPSJGW-LLVKDONJSA-N 1 0 239.319 0.159 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)CCC[NH3+])[C@H]1CCCO1 ZINC000841881037 587980416 /nfs/dbraw/zinc/98/04/16/587980416.db2.gz MTQUSXAAOYTWJJ-GHMZBOCLSA-N 1 0 239.319 0.157 20 30 BCEDRO C#C[C@@H](NC(=O)NCCC[NH2+]C)[C@H]1CCCO1 ZINC000841880869 587980568 /nfs/dbraw/zinc/98/05/68/587980568.db2.gz JNOQGCWHPOMXNZ-GHMZBOCLSA-N 1 0 239.319 0.076 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000841887037 587981315 /nfs/dbraw/zinc/98/13/15/587981315.db2.gz XQXGRHDHAFSDEA-QWRGUYRKSA-N 1 0 223.320 0.697 20 30 BCEDRO C#CCCCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000841886248 587981439 /nfs/dbraw/zinc/98/14/39/587981439.db2.gz LVRJJRNIBIGZJE-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841886721 587981545 /nfs/dbraw/zinc/98/15/45/587981545.db2.gz RKRBQFKIZTTYAO-LLVKDONJSA-N 1 0 223.320 0.841 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[NH2+]C1CC1)C(C)C ZINC000841904062 587982924 /nfs/dbraw/zinc/98/29/24/587982924.db2.gz HDUDQCSGEWWLIM-LLVKDONJSA-N 1 0 223.320 0.695 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000841904722 587983501 /nfs/dbraw/zinc/98/35/01/587983501.db2.gz VHNGTEPCLYIVNN-ZJUUUORDSA-N 1 0 209.293 0.305 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000841914101 587984717 /nfs/dbraw/zinc/98/47/17/587984717.db2.gz YSEBNKGIPIVHGJ-GARJFASQSA-N 1 0 239.319 0.791 20 30 BCEDRO C=CCONC(=O)N1CCCC[C@H]1C[NH3+] ZINC000841913451 587984848 /nfs/dbraw/zinc/98/48/48/587984848.db2.gz NMTRBXAGCUVSEX-VIFPVBQESA-N 1 0 213.281 0.627 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000841913303 587985079 /nfs/dbraw/zinc/98/50/79/587985079.db2.gz LZLRPOODVWARRE-UWVGGRQHSA-N 1 0 227.308 0.873 20 30 BCEDRO C#Cc1cccc(CNC(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000841912887 587985105 /nfs/dbraw/zinc/98/51/05/587985105.db2.gz CTDWYCQYLNHSMT-ZDUSSCGKSA-N 1 0 243.310 0.911 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000841937194 587985696 /nfs/dbraw/zinc/98/56/96/587985696.db2.gz OWHGTXHASZUXJA-MRVPVSSYSA-N 1 0 217.700 0.790 20 30 BCEDRO C=C(Cl)CNC(=O)NCC[NH2+]CC ZINC000841935775 587985985 /nfs/dbraw/zinc/98/59/85/587985985.db2.gz YWRMZNSEZBQHBQ-UHFFFAOYSA-N 1 0 205.689 0.648 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000841945453 587986450 /nfs/dbraw/zinc/98/64/50/587986450.db2.gz LSXHNAMVBVXRDF-QMMMGPOBSA-N 1 0 217.700 0.775 20 30 BCEDRO C#CCCNC(=O)NCC([NH3+])(CC)CC ZINC000841953931 587986863 /nfs/dbraw/zinc/98/68/63/587986863.db2.gz GBCFGLONVLUAIN-UHFFFAOYSA-N 1 0 211.309 0.826 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000841970234 587987197 /nfs/dbraw/zinc/98/71/97/587987197.db2.gz SDXFWGCSVDGJHQ-SNVBAGLBSA-N 1 0 223.320 0.697 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841980833 587987547 /nfs/dbraw/zinc/98/75/47/587987547.db2.gz IDCWVWWSRDPNCJ-UWVGGRQHSA-N 1 0 209.293 0.579 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841981169 587987677 /nfs/dbraw/zinc/98/76/77/587987677.db2.gz TVVDXQSXAFKQLP-UWVGGRQHSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841982175 587987710 /nfs/dbraw/zinc/98/77/10/587987710.db2.gz RNVCKEDNOJOFHD-GHMZBOCLSA-N 1 0 223.320 0.921 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841981646 587987736 /nfs/dbraw/zinc/98/77/36/587987736.db2.gz FYTOGWZLSKGSEF-AXFHLTTASA-N 1 0 223.320 0.919 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841986074 587988097 /nfs/dbraw/zinc/98/80/97/587988097.db2.gz LKGQPLQWURZYAT-MWLCHTKSSA-N 1 0 223.320 0.825 20 30 BCEDRO C=CCN(C(=O)NC[C@H]1C[NH2+]CCO1)C(C)C ZINC000842010136 587988856 /nfs/dbraw/zinc/98/88/56/587988856.db2.gz DHDLQVDOYFPQGM-LLVKDONJSA-N 1 0 241.335 0.581 20 30 BCEDRO C=CCN(C(=O)C(=O)NCC[NH2+]CC)C(C)C ZINC000842231073 588007866 /nfs/dbraw/zinc/00/78/66/588007866.db2.gz FPQOHCHAJLUGLK-UHFFFAOYSA-N 1 0 241.335 0.135 20 30 BCEDRO C[C@@H](CO)N(C)[NH+]=Cc1cnc(N(C)C)n1C ZINC000842540532 588038139 /nfs/dbraw/zinc/03/81/39/588038139.db2.gz LOJAVUMNIWBGAH-VIFPVBQESA-N 1 0 239.323 0.133 20 30 BCEDRO C#CC1CC[NH+](CN2CCCC2=O)CC1 ZINC000842634556 588047482 /nfs/dbraw/zinc/04/74/82/588047482.db2.gz XYPLFOUQENYKEN-UHFFFAOYSA-N 1 0 206.289 0.912 20 30 BCEDRO C#CCO[C@@H](C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000842634256 588047617 /nfs/dbraw/zinc/04/76/17/588047617.db2.gz CMKSEVRFHCHHQZ-IUCAKERBSA-N 1 0 223.276 0.931 20 30 BCEDRO C#CCO[C@@H](C)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000842634254 588047867 /nfs/dbraw/zinc/04/78/67/588047867.db2.gz CMKSEVRFHCHHQZ-BDAKNGLRSA-N 1 0 223.276 0.931 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)CCOC(C)C ZINC000843077073 588076676 /nfs/dbraw/zinc/07/66/76/588076676.db2.gz LHDOLZGZYSQDMW-RYUDHWBXSA-N 1 0 229.320 0.136 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)c1cccc(Cl)c1 ZINC000843080698 588078797 /nfs/dbraw/zinc/07/87/97/588078797.db2.gz ZMYBYDRICHGDPG-LBPRGKRZSA-N 1 0 239.702 0.959 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)C[C@H](C)CC ZINC000843074112 588079753 /nfs/dbraw/zinc/07/97/53/588079753.db2.gz BZHOECZHAMPUOD-VXGBXAGGSA-N 1 0 240.347 0.513 20 30 BCEDRO Cc1ccccc1[C@H](O)C[NH2+]CC#CCO ZINC000843079947 588080125 /nfs/dbraw/zinc/08/01/25/588080125.db2.gz OGZGPGXNKRMKOC-CYBMUJFWSA-N 1 0 219.284 0.614 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)CCOCC ZINC000843103054 588081802 /nfs/dbraw/zinc/08/18/02/588081802.db2.gz YCTOMHCJKBFPSH-VXGBXAGGSA-N 1 0 229.320 0.138 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)CCOC(C)C ZINC000843102754 588081835 /nfs/dbraw/zinc/08/18/35/588081835.db2.gz YXYSEKALNPBPGW-OLZOCXBDSA-N 1 0 243.347 0.526 20 30 BCEDRO C=CCN(C)C(=O)C(=O)NCCCCCC[NH3+] ZINC000843263278 588096171 /nfs/dbraw/zinc/09/61/71/588096171.db2.gz UXHBWORDFNFYIY-UHFFFAOYSA-N 1 0 241.335 0.266 20 30 BCEDRO C=CCN(CC=C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843358263 588103795 /nfs/dbraw/zinc/10/37/95/588103795.db2.gz JVGLRRZKHPYHAH-LBPRGKRZSA-N 1 0 238.331 0.956 20 30 BCEDRO CON=Cc1ccc(C(=O)NC[C@H](C)C[NH3+])cc1 ZINC000843451631 588111556 /nfs/dbraw/zinc/11/15/56/588111556.db2.gz WLOYIKLZDLSVJI-SNVBAGLBSA-N 1 0 249.314 0.992 20 30 BCEDRO CCC/C(C)=C\C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843458883 588111695 /nfs/dbraw/zinc/11/16/95/588111695.db2.gz AVPCVUMAEQEOAA-DESOLJLISA-N 1 0 221.304 0.961 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccc1N ZINC000843459007 588112046 /nfs/dbraw/zinc/11/20/46/588112046.db2.gz BGOZNTIJOGLEFG-KCJUWKMLSA-N 1 0 230.271 0.110 20 30 BCEDRO Cc1ccc(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)s1 ZINC000843461028 588112637 /nfs/dbraw/zinc/11/26/37/588112637.db2.gz JIRTVGSFZXCTEF-GXSJLCMTSA-N 1 0 249.339 0.827 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1cccs1 ZINC000843463375 588112893 /nfs/dbraw/zinc/11/28/93/588112893.db2.gz WGQCBGZODBPIPH-WCBMZHEXSA-N 1 0 235.312 0.518 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(C2CC2)on1 ZINC000843463244 588112932 /nfs/dbraw/zinc/11/29/32/588112932.db2.gz VYZFMVNUKAPOHG-SCZZXKLOSA-N 1 0 246.270 0.393 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NC1CC[NH+](C)CC1 ZINC000844284929 588180639 /nfs/dbraw/zinc/18/06/39/588180639.db2.gz YYHOKBVUCQHKJF-SECBINFHSA-N 1 0 227.308 0.886 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844299795 588182044 /nfs/dbraw/zinc/18/20/44/588182044.db2.gz HFQAITPCKDVJHR-LLVKDONJSA-N 1 0 222.288 0.925 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H](C)CCO ZINC000844448607 588195139 /nfs/dbraw/zinc/19/51/39/588195139.db2.gz GIPPKVYQNGIDOC-VHSXEESVSA-N 1 0 200.282 0.618 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844470840 588198190 /nfs/dbraw/zinc/19/81/90/588198190.db2.gz LZNCZDGUKZTZMT-ONGXEEELSA-N 1 0 242.269 0.855 20 30 BCEDRO NC(=[NH2+])NN=Cc1cccc2c1CCC2 ZINC000844576562 588204159 /nfs/dbraw/zinc/20/41/59/588204159.db2.gz PSTJSCKGMFKVKX-UHFFFAOYSA-N 1 0 202.261 0.992 20 30 BCEDRO C=C(C)CONC(=O)NCC[NH+]1CCC1 ZINC000845601547 588235249 /nfs/dbraw/zinc/23/52/49/588235249.db2.gz QOLHJRYTWMBUBQ-UHFFFAOYSA-N 1 0 213.281 0.499 20 30 BCEDRO C=C(C)CONC(=O)NCCOCC[NH+](C)C ZINC000845606698 588235665 /nfs/dbraw/zinc/23/56/65/588235665.db2.gz SUQYUKSOHALKGW-UHFFFAOYSA-N 1 0 245.323 0.372 20 30 BCEDRO C=C(C)CONC(=O)N1CC[NH+]2CCC1CC2 ZINC000845612235 588236019 /nfs/dbraw/zinc/23/60/19/588236019.db2.gz UEBLFNGUNUKKOD-UHFFFAOYSA-N 1 0 239.319 0.984 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NC[C@H](C)[NH+](C)C ZINC000845614968 588236250 /nfs/dbraw/zinc/23/62/50/588236250.db2.gz GRRLLXGSIFEPRL-DTWKUNHWSA-N 1 0 215.297 0.742 20 30 BCEDRO C=C[C@H](C)ONC(=O)N[C@@H](C)C[NH+](C)C ZINC000845621130 588237223 /nfs/dbraw/zinc/23/72/23/588237223.db2.gz VWVNESGGYFAASG-IUCAKERBSA-N 1 0 215.297 0.742 20 30 BCEDRO CCON(C)C(=O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000846066090 588255234 /nfs/dbraw/zinc/25/52/34/588255234.db2.gz ZMAYUDYTINLSSU-ZJUUUORDSA-N 1 0 225.292 0.678 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)N1Cc2cccc(C#N)c2C1 ZINC000846171190 588259294 /nfs/dbraw/zinc/25/92/94/588259294.db2.gz DHATVQLVOJKBCU-VIFPVBQESA-N 1 0 244.298 0.931 20 30 BCEDRO C#CCN(C(=O)NCCC1(C[NH3+])CC1)C1CC1 ZINC000846183672 588259440 /nfs/dbraw/zinc/25/94/40/588259440.db2.gz IQIIDNFNOXJOSS-UHFFFAOYSA-N 1 0 235.331 0.923 20 30 BCEDRO C#CCN(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000846183683 588259443 /nfs/dbraw/zinc/25/94/43/588259443.db2.gz ITKZVGMTMZVHSI-UHFFFAOYSA-N 1 0 209.293 0.390 20 30 BCEDRO C=C[C@@H](C)ONC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000846555790 588277199 /nfs/dbraw/zinc/27/71/99/588277199.db2.gz ZESNMBYUBIOMQP-OPRDCNLKSA-N 1 0 212.293 0.949 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(C#N)CCCC1 ZINC000846677813 588282185 /nfs/dbraw/zinc/28/21/85/588282185.db2.gz OTZISLBYTYLYAL-ZJUUUORDSA-N 1 0 232.287 0.298 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CC=CCC1 ZINC000846677114 588282356 /nfs/dbraw/zinc/28/23/56/588282356.db2.gz KOTXFKQRUNQZNR-GMTAPVOTSA-N 1 0 219.288 0.570 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000846702512 588283629 /nfs/dbraw/zinc/28/36/29/588283629.db2.gz IGQIGOZKNHEFGL-UWVGGRQHSA-N 1 0 220.272 0.137 20 30 BCEDRO C#CC[C@H]1NC(=O)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000846785921 588288369 /nfs/dbraw/zinc/28/83/69/588288369.db2.gz LTHDSEHSTOTELC-OUAUKWLOSA-N 1 0 249.314 0.270 20 30 BCEDRO C#CC[C@@H]1NC(=O)N(C[C@H]2C[C@@H]([NH+](C)C)C2)C1=O ZINC000846785920 588288453 /nfs/dbraw/zinc/28/84/53/588288453.db2.gz LTHDSEHSTOTELC-AXFHLTTASA-N 1 0 249.314 0.270 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@@H]1CN(CC)C(=O)O1 ZINC000846880085 588295241 /nfs/dbraw/zinc/29/52/41/588295241.db2.gz SNQUEASAZRAHMN-VHSXEESVSA-N 1 0 210.277 0.781 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000847021125 588302526 /nfs/dbraw/zinc/30/25/26/588302526.db2.gz JIHKRMUMQWSWGG-GFCCVEGCSA-N 1 0 220.316 0.954 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000847020929 588302785 /nfs/dbraw/zinc/30/27/85/588302785.db2.gz GNEMLDKPMWDURP-NSHDSACASA-N 1 0 234.299 0.481 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000847020901 588303005 /nfs/dbraw/zinc/30/30/05/588303005.db2.gz FWNRQUXXRHJMCH-GFCCVEGCSA-N 1 0 223.316 0.873 20 30 BCEDRO C#C[C@@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000847023056 588303190 /nfs/dbraw/zinc/30/31/90/588303190.db2.gz AOKMBIATZMSGDZ-CYBMUJFWSA-N 1 0 222.332 0.664 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000847024078 588303469 /nfs/dbraw/zinc/30/34/69/588303469.db2.gz PIDZKDKUAUXRJP-ZDUSSCGKSA-N 1 0 249.358 0.106 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000847026400 588304006 /nfs/dbraw/zinc/30/40/06/588304006.db2.gz YNYVAHNWILAAOX-LLVKDONJSA-N 1 0 206.289 0.564 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000847026560 588304046 /nfs/dbraw/zinc/30/40/46/588304046.db2.gz QATDOSFPUVHYML-GHMZBOCLSA-N 1 0 206.289 0.562 20 30 BCEDRO C#CCOCCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847179648 588308947 /nfs/dbraw/zinc/30/89/47/588308947.db2.gz ALYLGXPLTCZUGZ-TXEJJXNPSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000847531877 588315760 /nfs/dbraw/zinc/31/57/60/588315760.db2.gz IRKIDTPMKXVNRD-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C#C[C@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000847760082 588329641 /nfs/dbraw/zinc/32/96/41/588329641.db2.gz DUJCZCUVKFODRG-JTQLQIEISA-N 1 0 234.303 0.196 20 30 BCEDRO C#C[C@H]1CCCN(C(=O)C(=C)C[NH+](C)C)C1 ZINC000848280445 588370244 /nfs/dbraw/zinc/37/02/44/588370244.db2.gz YZMDENXGDJASNT-LBPRGKRZSA-N 1 0 220.316 0.976 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)Cc1nc(C)no1 ZINC000848353652 588373371 /nfs/dbraw/zinc/37/33/71/588373371.db2.gz QJXQOMJAKQSUGT-UHFFFAOYSA-N 1 0 238.291 0.454 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnc(Cl)n2C)N1 ZINC000848408607 588378886 /nfs/dbraw/zinc/37/88/86/588378886.db2.gz UBCYBAWBNIFTRP-LURJTMIESA-N 1 0 240.698 0.345 20 30 BCEDRO C#C[C@H](C)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000848910539 588419264 /nfs/dbraw/zinc/41/92/64/588419264.db2.gz MBWAVZXJTJTXMO-AAEUAGOBSA-N 1 0 222.332 0.851 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCOC[C@@H]2CCCO2)N1 ZINC000848982975 588424526 /nfs/dbraw/zinc/42/45/26/588424526.db2.gz PDTVIAYGPWBECX-MNOVXSKESA-N 1 0 241.335 0.509 20 30 BCEDRO C[NH+]=C(NCc1cc(C)ncn1)NC1CC1 ZINC000848994173 588428175 /nfs/dbraw/zinc/42/81/75/588428175.db2.gz ANUBOZNRFLQRQV-UHFFFAOYSA-N 1 0 219.292 0.612 20 30 BCEDRO CNC(NCc1cnn(CC(F)(F)F)c1)=[NH+]C ZINC000848995840 588428973 /nfs/dbraw/zinc/42/89/73/588428973.db2.gz ASZSLUPNYOQVDQ-UHFFFAOYSA-N 1 0 249.240 0.740 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CCCCO1)NC1CC1 ZINC000848995888 588428995 /nfs/dbraw/zinc/42/89/95/588428995.db2.gz JDTUDMWUSLVWAN-JTQLQIEISA-N 1 0 211.309 0.883 20 30 BCEDRO C=CCNC(=[NH2+])NCCN1CCO[C@H](C)C1 ZINC000848996530 588429020 /nfs/dbraw/zinc/42/90/20/588429020.db2.gz CBNJSILINFSIAF-SNVBAGLBSA-N 1 0 226.324 0.007 20 30 BCEDRO C[NH+]=C(NC[C@H](O)COCC1CC1)NC1CC1 ZINC000849000004 588430314 /nfs/dbraw/zinc/43/03/14/588430314.db2.gz FGYYCFZNIFXZLK-NSHDSACASA-N 1 0 241.335 0.101 20 30 BCEDRO CCN(CCNC(NC1CC1)=[NH+]C)C1CC1 ZINC000849000946 588430632 /nfs/dbraw/zinc/43/06/32/588430632.db2.gz HZQAYWJZRCARQK-UHFFFAOYSA-N 1 0 224.352 0.798 20 30 BCEDRO N#CCCCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849003159 588431435 /nfs/dbraw/zinc/43/14/35/588431435.db2.gz PFCVFZWTSRYTAH-JTQLQIEISA-N 1 0 224.308 0.973 20 30 BCEDRO CNC(NC[C@]1(C)CCCC[C@H]1O)=[NH+]C ZINC000849004590 588431561 /nfs/dbraw/zinc/43/15/61/588431561.db2.gz PIUSQXKVQMXWCY-KOLCDFICSA-N 1 0 213.325 0.722 20 30 BCEDRO C[NH+]=C(NCCOC[C@H]1CCCO1)NC1CC1 ZINC000849005349 588432070 /nfs/dbraw/zinc/43/20/70/588432070.db2.gz LFFRUBJYLIBWSB-LLVKDONJSA-N 1 0 241.335 0.509 20 30 BCEDRO CNC(NCCc1ccc(O)c(OC)c1)=[NH+]C ZINC000849004991 588432095 /nfs/dbraw/zinc/43/20/95/588432095.db2.gz NZHRPWWUCKHONN-UHFFFAOYSA-N 1 0 237.303 0.738 20 30 BCEDRO Cc1cc(C[NH+]=C(N(C)C)N(C)C)[nH]n1 ZINC000849007577 588433598 /nfs/dbraw/zinc/43/35/98/588433598.db2.gz YQEYPPIXLZWPLY-UHFFFAOYSA-N 1 0 209.297 0.697 20 30 BCEDRO CCCCOCCOCCNC1=[NH+]C[C@@H](C)N1 ZINC000849010839 588435055 /nfs/dbraw/zinc/43/50/55/588435055.db2.gz NSPUPYBTXNNZAF-LLVKDONJSA-N 1 0 243.351 0.757 20 30 BCEDRO CNC(NCC1CCC(OC)CC1)=[NH+]C ZINC000849011728 588435522 /nfs/dbraw/zinc/43/55/22/588435522.db2.gz YZSIQBXVBBDVAE-UHFFFAOYSA-N 1 0 213.325 0.986 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849015594 588436782 /nfs/dbraw/zinc/43/67/82/588436782.db2.gz CMXPITUEAGPFIB-QWRGUYRKSA-N 1 0 241.335 0.464 20 30 BCEDRO CNC(NCC1([C@@H](O)C(C)C)CC1)=[NH+]C ZINC000849016775 588437529 /nfs/dbraw/zinc/43/75/29/588437529.db2.gz ILNYQLLHVZGYTB-VIFPVBQESA-N 1 0 213.325 0.578 20 30 BCEDRO C[NH+]=C(NCC[C@@H]1CCOC1)NC1CC1 ZINC000849017682 588437841 /nfs/dbraw/zinc/43/78/41/588437841.db2.gz CENQEGYMJNFOTN-SECBINFHSA-N 1 0 211.309 0.740 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCCCC#N)CCO1 ZINC000849017631 588437859 /nfs/dbraw/zinc/43/78/59/588437859.db2.gz YQVPIRKNBYQSRE-SECBINFHSA-N 1 0 210.281 0.535 20 30 BCEDRO CCNC(N[C@H]1CCn2ccnc2C1)=[NH+]CC ZINC000849020500 588438507 /nfs/dbraw/zinc/43/85/07/588438507.db2.gz YCGBHVINJQZTND-JTQLQIEISA-N 1 0 235.335 0.773 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC1(CC#N)CC1 ZINC000849025936 588440630 /nfs/dbraw/zinc/44/06/30/588440630.db2.gz OUSKIPVARXGZIX-VIFPVBQESA-N 1 0 224.308 0.829 20 30 BCEDRO CC(C)[C@@H](CO)C[NH+]=C(N(C)C)N(C)C ZINC000849028222 588441486 /nfs/dbraw/zinc/44/14/86/588441486.db2.gz FGYPJLZPQYCRFH-SNVBAGLBSA-N 1 0 215.341 0.730 20 30 BCEDRO CCCCCCNC(=[NH2+])NCC(=O)NCC#N ZINC000849027559 588441572 /nfs/dbraw/zinc/44/15/72/588441572.db2.gz HYVVREBLRBFLGU-UHFFFAOYSA-N 1 0 239.323 0.320 20 30 BCEDRO C[NH+]=C(NCCc1cn[nH]c1)NCc1ccco1 ZINC000849029183 588441847 /nfs/dbraw/zinc/44/18/47/588441847.db2.gz AXMUHSIBHRUWPM-UHFFFAOYSA-N 1 0 247.302 0.910 20 30 BCEDRO CCC[C@@H](C)C(=O)NCCNC1=[NH+]CCN1C ZINC000849030809 588442547 /nfs/dbraw/zinc/44/25/47/588442547.db2.gz PEJJUVFLYREIIU-SNVBAGLBSA-N 1 0 240.351 0.430 20 30 BCEDRO CCC[C@H](C)C(=O)NCCNC1=[NH+]CCN1C ZINC000849030808 588442628 /nfs/dbraw/zinc/44/26/28/588442628.db2.gz PEJJUVFLYREIIU-JTQLQIEISA-N 1 0 240.351 0.430 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCc1cnn(C)n1 ZINC000849031142 588442827 /nfs/dbraw/zinc/44/28/27/588442827.db2.gz VUSUCFMGYACJNC-UHFFFAOYSA-N 1 0 236.323 0.438 20 30 BCEDRO CCC[C@H](C)C(=O)NCCNC1=[NH+]C[C@@H](C)N1 ZINC000849031116 588442891 /nfs/dbraw/zinc/44/28/91/588442891.db2.gz UVGIWLWSVYULRW-VHSXEESVSA-N 1 0 240.351 0.476 20 30 BCEDRO C[C@H](CCO)CC[NH+]=C(N(C)C)N(C)C ZINC000849032610 588443502 /nfs/dbraw/zinc/44/35/02/588443502.db2.gz SEJJQSZHFPEQCZ-JTQLQIEISA-N 1 0 215.341 0.874 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@]1(O)CCC[C@H]1C ZINC000849033396 588443754 /nfs/dbraw/zinc/44/37/54/588443754.db2.gz ZNWKFTYSEXPGTC-KOLCDFICSA-N 1 0 211.309 0.837 20 30 BCEDRO C[NH+]=C(NCC[C@@](C)(O)COC)NC1CC1 ZINC000849033807 588443970 /nfs/dbraw/zinc/44/39/70/588443970.db2.gz AWUXUHOZKXTTHO-LLVKDONJSA-N 1 0 229.324 0.101 20 30 BCEDRO C[C@H](CCCO)C[NH+]=C(N(C)C)N(C)C ZINC000849035353 588444754 /nfs/dbraw/zinc/44/47/54/588444754.db2.gz DOFTWJIOOLDLIO-SNVBAGLBSA-N 1 0 215.341 0.874 20 30 BCEDRO C[NH+]=C(NCc1nn(C)cc1Cl)NC1CC1 ZINC000849034924 588444825 /nfs/dbraw/zinc/44/48/25/588444825.db2.gz CFERWSCXOOSAPX-UHFFFAOYSA-N 1 0 241.726 0.901 20 30 BCEDRO CNC(NCc1ncccc1OC)=[NH+]C ZINC000849038150 588446260 /nfs/dbraw/zinc/44/62/60/588446260.db2.gz JCKJUFMLNIAXPX-UHFFFAOYSA-N 1 0 208.265 0.385 20 30 BCEDRO CNC(NCC1(COC)CCCC1)=[NH+]C ZINC000849038501 588446518 /nfs/dbraw/zinc/44/65/18/588446518.db2.gz PXURTNQMHXBZQL-UHFFFAOYSA-N 1 0 213.325 0.988 20 30 BCEDRO CN(C)C(=[NH+]C[C@@]1(C)CCC(=O)N1)N(C)C ZINC000849039413 588447178 /nfs/dbraw/zinc/44/71/78/588447178.db2.gz XMDSUFUVURHUKL-LLVKDONJSA-N 1 0 226.324 0.134 20 30 BCEDRO C[NH+]=C(NCCc1cnc(C)cn1)NC1CC1 ZINC000849039753 588447224 /nfs/dbraw/zinc/44/72/24/588447224.db2.gz QIZHJIKJKVXQIG-UHFFFAOYSA-N 1 0 233.319 0.655 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCNC1=O ZINC000849041786 588448443 /nfs/dbraw/zinc/44/84/43/588448443.db2.gz WMQXJFOXXLSSHX-VIFPVBQESA-N 1 0 224.308 0.203 20 30 BCEDRO COCCNC(=[NH2+])NCC1(C#N)CCC1 ZINC000849043543 588448645 /nfs/dbraw/zinc/44/86/45/588448645.db2.gz OYUQNUSBWUUODK-UHFFFAOYSA-N 1 0 210.281 0.441 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CC(=O)N(CCC)C1 ZINC000849043423 588448740 /nfs/dbraw/zinc/44/87/40/588448740.db2.gz CGXKAIXMDDZGRR-SNVBAGLBSA-N 1 0 238.335 0.545 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CC(=O)N(CCC)C1 ZINC000849043422 588448782 /nfs/dbraw/zinc/44/87/82/588448782.db2.gz CGXKAIXMDDZGRR-JTQLQIEISA-N 1 0 238.335 0.545 20 30 BCEDRO CCNC(NCc1nc2ncccn2n1)=[NH+]CC ZINC000849042870 588448910 /nfs/dbraw/zinc/44/89/10/588448910.db2.gz GXCFVBIXEQBLRN-UHFFFAOYSA-N 1 0 247.306 0.199 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000849044315 588449062 /nfs/dbraw/zinc/44/90/62/588449062.db2.gz HCDMDYYKXZSFJS-VWYCJHECSA-N 1 0 241.335 0.726 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cn(CC=C)nn1 ZINC000849044273 588449095 /nfs/dbraw/zinc/44/90/95/588449095.db2.gz DKKNWZBVQGEJDM-UHFFFAOYSA-N 1 0 220.280 0.264 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CN(C2CC2)C(=O)O1 ZINC000849050402 588451833 /nfs/dbraw/zinc/45/18/33/588451833.db2.gz QBAPJAVTOVMTTA-SECBINFHSA-N 1 0 238.291 0.270 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nnn(C(C)(C)C)n1 ZINC000849049801 588451921 /nfs/dbraw/zinc/45/19/21/588451921.db2.gz SODAUJZSMUEQFX-UHFFFAOYSA-N 1 0 237.311 0.228 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(CC(N)=O)cc1 ZINC000849084891 588452116 /nfs/dbraw/zinc/45/21/16/588452116.db2.gz RZCHIQAJXQRHCI-UHFFFAOYSA-N 1 0 246.314 0.514 20 30 BCEDRO C=C[C@](C)(O)c1cn(CCC[NH+](C)C)nn1 ZINC000849136573 588453752 /nfs/dbraw/zinc/45/37/52/588453752.db2.gz KGGALOMQOZDZIC-NSHDSACASA-N 1 0 224.308 0.623 20 30 BCEDRO C=C[C@](C)(O)c1cn(CCCC[NH3+])nn1 ZINC000849137845 588454487 /nfs/dbraw/zinc/45/44/87/588454487.db2.gz YQTATLXNJSCOEE-JTQLQIEISA-N 1 0 210.281 0.411 20 30 BCEDRO C=C[C@@](C)(O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000849155349 588456702 /nfs/dbraw/zinc/45/67/02/588456702.db2.gz AQYFYAGUENLKDT-GXSJLCMTSA-N 1 0 222.292 0.596 20 30 BCEDRO C=C[C@](C)(O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000849155907 588456869 /nfs/dbraw/zinc/45/68/69/588456869.db2.gz QTVCCXUZFRRRBB-SCZZXKLOSA-N 1 0 208.265 0.206 20 30 BCEDRO C[NH+]=C(NC[C@@H](O)C(F)(F)F)N1CCCC1 ZINC000849214250 588461558 /nfs/dbraw/zinc/46/15/58/588461558.db2.gz PDUBXSGNUWYMBL-SSDOTTSWSA-N 1 0 239.241 0.581 20 30 BCEDRO CCNC(NC[C@H](O)[C@@H](C)CC)=[NH+]CC ZINC000849214546 588461652 /nfs/dbraw/zinc/46/16/52/588461652.db2.gz NYLIULLTCYDFLQ-UWVGGRQHSA-N 1 0 215.341 0.968 20 30 BCEDRO CNC(NCCc1cnccc1C)=[NH+]C ZINC000849215197 588461752 /nfs/dbraw/zinc/46/17/52/588461752.db2.gz UBIZRFAAEGBSRE-UHFFFAOYSA-N 1 0 206.293 0.727 20 30 BCEDRO CNC(NCCc1ccc(C#N)cc1)=[NH+]C ZINC000849214887 588461852 /nfs/dbraw/zinc/46/18/52/588461852.db2.gz AHSZCZIRAMKUIF-UHFFFAOYSA-N 1 0 216.288 0.896 20 30 BCEDRO CCNC(NCc1nc(COC)n[nH]1)=[NH+]CC ZINC000849215248 588461994 /nfs/dbraw/zinc/46/19/94/588461994.db2.gz XHIFEIRJZGYBRA-UHFFFAOYSA-N 1 0 240.311 0.026 20 30 BCEDRO N#Cc1nc(F)ccc1OC[C@H]1C[NH2+]CCO1 ZINC000849240714 588464163 /nfs/dbraw/zinc/46/41/63/588464163.db2.gz UCXCGVCDPUIIOU-MRVPVSSYSA-N 1 0 237.234 0.460 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@H]2COC3(CCC3)C2)n1 ZINC000850469476 588548873 /nfs/dbraw/zinc/54/88/73/588548873.db2.gz QMEQENSTZXFXOL-SNVBAGLBSA-N 1 0 247.302 0.451 20 30 BCEDRO COC(=O)N(C)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000850548338 588559537 /nfs/dbraw/zinc/55/95/37/588559537.db2.gz OONNJMDFFOYMMO-UWVGGRQHSA-N 1 0 225.292 0.966 20 30 BCEDRO COC(=O)N(C)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000850548339 588559958 /nfs/dbraw/zinc/55/99/58/588559958.db2.gz OONNJMDFFOYMMO-VHSXEESVSA-N 1 0 225.292 0.966 20 30 BCEDRO COc1cc(C(=O)N[C@@H]2CC[NH2+]C2)ccc1C#N ZINC000851633900 588612285 /nfs/dbraw/zinc/61/22/85/588612285.db2.gz XSYZBQQSCCMXPR-LLVKDONJSA-N 1 0 245.282 0.659 20 30 BCEDRO C=CCCSCCNC(=O)[C@H]1C[C@H]1[NH3+] ZINC000851641220 588612523 /nfs/dbraw/zinc/61/25/23/588612523.db2.gz IBMPNHURTNIYJK-DTWKUNHWSA-N 1 0 214.334 0.759 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H](C)C[NH2+]C)[C@@H]1CCCO1 ZINC000851659870 588613363 /nfs/dbraw/zinc/61/33/63/588613363.db2.gz WRMAXEIDLRXTGT-DCAQKATOSA-N 1 0 239.319 0.074 20 30 BCEDRO CC(C)[C@H]([NH3+])CCNC(=O)NCCC#N ZINC000851658306 588613432 /nfs/dbraw/zinc/61/34/32/588613432.db2.gz AQXNVLTZQOWEBY-SECBINFHSA-N 1 0 212.297 0.573 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000851669810 588614349 /nfs/dbraw/zinc/61/43/49/588614349.db2.gz UBTAYTZANVOBFP-ZJUUUORDSA-N 1 0 209.293 0.566 20 30 BCEDRO C#CCN(CC)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676509 588614420 /nfs/dbraw/zinc/61/44/20/588614420.db2.gz DBZHPGFJEJNUHU-UHFFFAOYSA-N 1 0 221.304 0.403 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N1CCC(C#N)CC1 ZINC000851681246 588614776 /nfs/dbraw/zinc/61/47/76/588614776.db2.gz MYBSBLXBDREMFV-SECBINFHSA-N 1 0 224.308 0.539 20 30 BCEDRO C#CCOCCN1CC[NH+](CC2CC2)CC1 ZINC000851730991 588619498 /nfs/dbraw/zinc/61/94/98/588619498.db2.gz WPNZEUXVPHPTBH-UHFFFAOYSA-N 1 0 222.332 0.664 20 30 BCEDRO C#CCOCC[N@@H+](CCC)CC(=O)NC ZINC000851733401 588620031 /nfs/dbraw/zinc/62/00/31/588620031.db2.gz UNDKCJSZFPDVDV-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C#CCOCC[NH+]1CCC(CC(=O)OC)CC1 ZINC000851736128 588620505 /nfs/dbraw/zinc/62/05/05/588620505.db2.gz NBUCLWUQAZRUEU-UHFFFAOYSA-N 1 0 239.315 0.911 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000851738096 588620910 /nfs/dbraw/zinc/62/09/10/588620910.db2.gz VXWFFIKBKHOKCF-ZDUSSCGKSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCOCC[N@@H+](CCO)CC(C)(C)C ZINC000851761872 588624556 /nfs/dbraw/zinc/62/45/56/588624556.db2.gz CFUCFHJAZKBIBT-UHFFFAOYSA-N 1 0 213.321 0.977 20 30 BCEDRO C#CC[N@H+](CC#CC)C[C@H](OC)[C@H]1CCOC1 ZINC000851784814 588628510 /nfs/dbraw/zinc/62/85/10/588628510.db2.gz LKKOZKGGZKSAIO-KBPBESRZSA-N 1 0 235.327 0.996 20 30 BCEDRO C#CCOCCN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000851787538 588628816 /nfs/dbraw/zinc/62/88/16/588628816.db2.gz DEVQPEMIPXXARQ-ZDUSSCGKSA-N 1 0 240.347 0.025 20 30 BCEDRO C#CC[N@H+](CC#CC)CCC(OC)OC ZINC000851785991 588628836 /nfs/dbraw/zinc/62/88/36/588628836.db2.gz UZGZIVATONWXSY-UHFFFAOYSA-N 1 0 209.289 0.954 20 30 BCEDRO C#CCOCC[NH2+][C@@](C)(CCO)COC ZINC000851808953 588632192 /nfs/dbraw/zinc/63/21/92/588632192.db2.gz RSJCUCZMSAKOSS-NSHDSACASA-N 1 0 215.293 0.013 20 30 BCEDRO C#CCOCC[N@@H+]1CCCC2(C1)OCCO2 ZINC000851858945 588635962 /nfs/dbraw/zinc/63/59/62/588635962.db2.gz IDZHFWFKUSSRBZ-UHFFFAOYSA-N 1 0 225.288 0.475 20 30 BCEDRO C#CCOCC[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000851864729 588636331 /nfs/dbraw/zinc/63/63/31/588636331.db2.gz JDHLXQFXALNNAW-ZDUSSCGKSA-N 1 0 248.330 0.640 20 30 BCEDRO C#CCOCC[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000851868279 588636776 /nfs/dbraw/zinc/63/67/76/588636776.db2.gz LMUUFVCAWCNFFX-CYBMUJFWSA-N 1 0 238.331 0.436 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](OCCOC)C1 ZINC000851872979 588637827 /nfs/dbraw/zinc/63/78/27/588637827.db2.gz SILHTDOCGZQSHF-ZDUSSCGKSA-N 1 0 241.331 0.764 20 30 BCEDRO C#CCOCC[NH2+][C@@H](CCO)c1ccco1 ZINC000851941934 588646167 /nfs/dbraw/zinc/64/61/67/588646167.db2.gz FTIMSEYFDOLGNZ-NSHDSACASA-N 1 0 223.272 0.943 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H](CO)CC(C)C ZINC000851948382 588647026 /nfs/dbraw/zinc/64/70/26/588647026.db2.gz CLKJKHOLKWDZNJ-GFCCVEGCSA-N 1 0 213.321 0.975 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@@H]1CCCO1 ZINC000851949121 588647061 /nfs/dbraw/zinc/64/70/61/588647061.db2.gz ADGAQTTZJCACOT-SRVKXCTJSA-N 1 0 239.315 0.908 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000851983349 588651228 /nfs/dbraw/zinc/65/12/28/588651228.db2.gz GYMVRIIZIIMNAH-MNOVXSKESA-N 1 0 224.304 0.141 20 30 BCEDRO C#C[C@H](C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000851988716 588652530 /nfs/dbraw/zinc/65/25/30/588652530.db2.gz CLZFXPHLRSNAHV-RYUDHWBXSA-N 1 0 212.337 0.641 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000852103816 588662039 /nfs/dbraw/zinc/66/20/39/588662039.db2.gz RYUHLNXHBHAAKJ-WDEREUQCSA-N 1 0 229.345 0.813 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCC(=O)N1CCOCC1 ZINC000852099571 588662565 /nfs/dbraw/zinc/66/25/65/588662565.db2.gz MSOYTWZLXSSJMQ-CYBMUJFWSA-N 1 0 238.331 0.627 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NCCOCC ZINC000852101935 588663008 /nfs/dbraw/zinc/66/30/08/588663008.db2.gz IMEOKJYQNYAOLQ-GFCCVEGCSA-N 1 0 226.320 0.531 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000852103813 588663759 /nfs/dbraw/zinc/66/37/59/588663759.db2.gz RYUHLNXHBHAAKJ-GHMZBOCLSA-N 1 0 229.345 0.813 20 30 BCEDRO C#CCCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000852106829 588664093 /nfs/dbraw/zinc/66/40/93/588664093.db2.gz FFGLDJRNCDMVNE-UHFFFAOYSA-N 1 0 209.293 0.213 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@](C)(COC)C1 ZINC000852111394 588664324 /nfs/dbraw/zinc/66/43/24/588664324.db2.gz GAYSXDPXLMVMBT-LBPRGKRZSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@@H]2CON(CC)C2=O)C1 ZINC000852206496 588671624 /nfs/dbraw/zinc/67/16/24/588671624.db2.gz KWIDNCLIPCYRDJ-NWDGAFQWSA-N 1 0 236.315 0.884 20 30 BCEDRO C#CC1CC[NH+](C[C@H]2CNC(=O)C2)CC1 ZINC000852205959 588671633 /nfs/dbraw/zinc/67/16/33/588671633.db2.gz WPZPWTOOXDCYLI-LLVKDONJSA-N 1 0 206.289 0.468 20 30 BCEDRO C#C[C@H]1CCCN([C@@H]2CON(CC)C2=O)C1 ZINC000852215285 588673419 /nfs/dbraw/zinc/67/34/19/588673419.db2.gz GTXRWHVHZMDZBH-WDEREUQCSA-N 1 0 222.288 0.494 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000852219041 588673687 /nfs/dbraw/zinc/67/36/87/588673687.db2.gz PJVAXLQJIWFBJU-WOPDTQHZSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@H](CC)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000852276851 588675495 /nfs/dbraw/zinc/67/54/95/588675495.db2.gz DWZHXOYKOYEVAP-LLVKDONJSA-N 1 0 223.320 0.601 20 30 BCEDRO C#CCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852313851 588677805 /nfs/dbraw/zinc/67/78/05/588677805.db2.gz OYIBMKJVFHLKFE-LLVKDONJSA-N 1 0 204.277 0.623 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852311536 588677886 /nfs/dbraw/zinc/67/78/86/588677886.db2.gz IUQODBIVEPYOEC-LBPRGKRZSA-N 1 0 234.303 0.250 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000852319872 588678473 /nfs/dbraw/zinc/67/84/73/588678473.db2.gz SULIXIHMLOEGHL-GFCCVEGCSA-N 1 0 233.315 0.752 20 30 BCEDRO C=CCN(CC1OCCO1)[C@H](C)COC ZINC000852356848 588679541 /nfs/dbraw/zinc/67/95/41/588679541.db2.gz PVEDSBDLCXBOLN-SNVBAGLBSA-N 1 0 215.293 0.882 20 30 BCEDRO C[C@@H](C#N)N(C[C@H](O)C[NH+]1CCCC1)C1CC1 ZINC000852480957 588684099 /nfs/dbraw/zinc/68/40/99/588684099.db2.gz XWIYUKJVGNRKFF-WCQYABFASA-N 1 0 237.347 0.820 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000852500773 588686219 /nfs/dbraw/zinc/68/62/19/588686219.db2.gz DMRSOKSWZMITGH-ZDUSSCGKSA-N 1 0 223.316 0.873 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000852535784 588687627 /nfs/dbraw/zinc/68/76/27/588687627.db2.gz KUELJJIUYZUROG-NWDGAFQWSA-N 1 0 209.289 0.605 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC1=CCCOC1 ZINC000852518847 588687698 /nfs/dbraw/zinc/68/76/98/588687698.db2.gz QBIIWFMZTUAHPY-NSHDSACASA-N 1 0 236.315 0.403 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000852536501 588689356 /nfs/dbraw/zinc/68/93/56/588689356.db2.gz VZSIRULPXARVKC-YPMHNXCESA-N 1 0 236.315 0.094 20 30 BCEDRO C#CCCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000852708181 588697240 /nfs/dbraw/zinc/69/72/40/588697240.db2.gz SNYQNKSDNAUSMA-ZDUSSCGKSA-N 1 0 222.332 0.541 20 30 BCEDRO C#CC[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852724406 588698027 /nfs/dbraw/zinc/69/80/27/588698027.db2.gz XPWXEGDEOLYUFS-UHFFFAOYSA-N 1 0 208.261 0.536 20 30 BCEDRO C#CCN1CCO[C@H](CCC[NH+](C)C)C1 ZINC000852761373 588700925 /nfs/dbraw/zinc/70/09/25/588700925.db2.gz VIMPGVZRZRTUJC-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO COc1cc(C(=O)N2CC[NH2+]CC2)ccc1C#N ZINC000852773340 588701794 /nfs/dbraw/zinc/70/17/94/588701794.db2.gz WIOTXXQDYXFBQV-UHFFFAOYSA-N 1 0 245.282 0.612 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NC[C@@H]1CCCO1 ZINC000852799121 588704065 /nfs/dbraw/zinc/70/40/65/588704065.db2.gz DHXWQNQQDZNTBK-LBPRGKRZSA-N 1 0 236.315 0.285 20 30 BCEDRO Cc1cc(NC(=O)C#CC2CC[NH2+]CC2)n(C)n1 ZINC000852802243 588704487 /nfs/dbraw/zinc/70/44/87/588704487.db2.gz FJEZSWGIKLEJBL-UHFFFAOYSA-N 1 0 246.314 0.670 20 30 BCEDRO CCn1cc(NC(=O)C#CC2CC[NH2+]CC2)cn1 ZINC000852812969 588705109 /nfs/dbraw/zinc/70/51/09/588705109.db2.gz FVWOTSGWSJGOHA-UHFFFAOYSA-N 1 0 246.314 0.845 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N1CCCOCC1 ZINC000852817027 588705355 /nfs/dbraw/zinc/70/53/55/588705355.db2.gz MXFZTPFDAXIYHR-UHFFFAOYSA-N 1 0 236.315 0.238 20 30 BCEDRO COC[C@H](C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852823965 588705838 /nfs/dbraw/zinc/70/58/38/588705838.db2.gz NDQYIAZGVOTXAV-LLVKDONJSA-N 1 0 238.331 0.388 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(F)s1 ZINC000852827057 588705923 /nfs/dbraw/zinc/70/59/23/588705923.db2.gz AOKGZXSFKFQWDG-RQJHMYQMSA-N 1 0 239.275 0.729 20 30 BCEDRO Cc1ccoc1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852827313 588706276 /nfs/dbraw/zinc/70/62/76/588706276.db2.gz GJRCKQJIKKWAKK-VHSXEESVSA-N 1 0 233.271 0.358 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(CF)cc1 ZINC000852827265 588706312 /nfs/dbraw/zinc/70/63/12/588706312.db2.gz FIGNVXDZMJLCOR-RYUDHWBXSA-N 1 0 247.273 0.997 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[C@H]2C[C@H]21 ZINC000852827287 588706432 /nfs/dbraw/zinc/70/64/32/588706432.db2.gz FVYGBINUMIMLOB-KQSJRHEJSA-N 1 0 233.315 0.650 20 30 BCEDRO CO[C@@H]1CC[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000852827763 588706446 /nfs/dbraw/zinc/70/64/46/588706446.db2.gz PBYTWYRVEATBOT-LNFKQOIKSA-N 1 0 237.303 0.029 20 30 BCEDRO C=CC[C@@]1(C(=O)NCc2ccon2)CCC[NH2+]1 ZINC000852839933 588707223 /nfs/dbraw/zinc/70/72/23/588707223.db2.gz HGNJULQRCMMAPG-LBPRGKRZSA-N 1 0 235.287 0.989 20 30 BCEDRO C[C@H](CCCO)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852841994 588707307 /nfs/dbraw/zinc/70/73/07/588707307.db2.gz UKDLPMIFOLDEME-LLVKDONJSA-N 1 0 238.331 0.267 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCCC1CC1 ZINC000852842211 588707551 /nfs/dbraw/zinc/70/75/51/588707551.db2.gz XLTFMUBBURGPGO-UHFFFAOYSA-N 1 0 220.316 0.906 20 30 BCEDRO C[C@H](O)CCN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852842881 588707730 /nfs/dbraw/zinc/70/77/30/588707730.db2.gz KOQGEIOBDBWGQK-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)Nc1ccc[nH]c1=O ZINC000852864237 588709131 /nfs/dbraw/zinc/70/91/31/588709131.db2.gz PIFBMRWVTJCXJE-UHFFFAOYSA-N 1 0 245.282 0.729 20 30 BCEDRO CCC/C=C/C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852876159 588709435 /nfs/dbraw/zinc/70/94/35/588709435.db2.gz WNJNAWMGQVYGTK-OCIBVNFRSA-N 1 0 207.277 0.570 20 30 BCEDRO Cc1cnccc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852865836 588709674 /nfs/dbraw/zinc/70/96/74/588709674.db2.gz PYCIVIWSVQWCQI-UHFFFAOYSA-N 1 0 243.310 0.753 20 30 BCEDRO CC(C)n1nccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852875812 588710086 /nfs/dbraw/zinc/71/00/86/588710086.db2.gz QJAGGSWTEOMFCZ-UWVGGRQHSA-N 1 0 247.302 0.305 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852876315 588710206 /nfs/dbraw/zinc/71/02/06/588710206.db2.gz XZJLXDSCFDGONS-UHFFFAOYSA-N 1 0 249.358 0.154 20 30 BCEDRO CC(C)OCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852885514 588711443 /nfs/dbraw/zinc/71/14/43/588711443.db2.gz XACODCKDVDDAQU-UHFFFAOYSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000852893085 588711799 /nfs/dbraw/zinc/71/17/99/588711799.db2.gz DIIWTZDRTGINBC-UHFFFAOYSA-N 1 0 207.233 0.231 20 30 BCEDRO C#CCNC(=O)c1cc(C2CC[NH2+]CC2)no1 ZINC000852893552 588711880 /nfs/dbraw/zinc/71/18/80/588711880.db2.gz IPJHOZFFWIAXPO-UHFFFAOYSA-N 1 0 233.271 0.505 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000852895419 588711921 /nfs/dbraw/zinc/71/19/21/588711921.db2.gz BCTLNQMISIWPQB-UPJWGTAASA-N 1 0 248.326 0.426 20 30 BCEDRO C=CC[C@]1(C(=O)NCc2ncccn2)CCC[NH2+]1 ZINC000852914923 588713161 /nfs/dbraw/zinc/71/31/61/588713161.db2.gz KXZXCJMCTDLJAW-CYBMUJFWSA-N 1 0 246.314 0.791 20 30 BCEDRO C=CC[C@@]1(C(=O)NCc2ncccn2)CCC[NH2+]1 ZINC000852914924 588713192 /nfs/dbraw/zinc/71/31/92/588713192.db2.gz KXZXCJMCTDLJAW-ZDUSSCGKSA-N 1 0 246.314 0.791 20 30 BCEDRO C#CCN1CCC[C@H]1COC(=O)c1cccnn1 ZINC000860529844 589104764 /nfs/dbraw/zinc/10/47/64/589104764.db2.gz MMBPBEQTRGNQBJ-NSHDSACASA-N 1 0 245.282 0.731 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)OCC[NH+]1CCC1 ZINC000861390167 589163618 /nfs/dbraw/zinc/16/36/18/589163618.db2.gz ARNZDLAEXAHFRQ-MNOVXSKESA-N 1 0 225.288 0.826 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)NCCCCC#N ZINC000861572753 589168736 /nfs/dbraw/zinc/16/87/36/589168736.db2.gz XSMOZOALINBWOQ-VIFPVBQESA-N 1 0 212.297 0.669 20 30 BCEDRO C#CCSCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861589648 589169011 /nfs/dbraw/zinc/16/90/11/589169011.db2.gz JOZLFEMFTCFKQN-VIFPVBQESA-N 1 0 229.349 0.341 20 30 BCEDRO C#CCOCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861616577 589170247 /nfs/dbraw/zinc/17/02/47/589170247.db2.gz FGNZIQHPARMHMO-QWRGUYRKSA-N 1 0 239.319 0.076 20 30 BCEDRO C#CCCCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861609500 589170317 /nfs/dbraw/zinc/17/03/17/589170317.db2.gz KMIVJJNVVTUZMG-SNVBAGLBSA-N 1 0 211.309 0.779 20 30 BCEDRO N#CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861628386 589171002 /nfs/dbraw/zinc/17/10/02/589171002.db2.gz QIUJJYHXIONJRU-SECBINFHSA-N 1 0 222.292 0.484 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861624642 589171017 /nfs/dbraw/zinc/17/10/17/589171017.db2.gz VPLWYTKISITEBJ-WDEREUQCSA-N 1 0 223.320 0.840 20 30 BCEDRO C=CCONC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861636175 589171917 /nfs/dbraw/zinc/17/19/17/589171917.db2.gz GZGCANZZYMGQNT-IUCAKERBSA-N 1 0 213.281 0.544 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000861647178 589172793 /nfs/dbraw/zinc/17/27/93/589172793.db2.gz CWCMJSHVDQWLGD-KXUCPTDWSA-N 1 0 224.308 0.667 20 30 BCEDRO C=CCOCCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861650411 589173350 /nfs/dbraw/zinc/17/33/50/589173350.db2.gz XFLCUQUJZVQGQP-JTQLQIEISA-N 1 0 229.324 0.568 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861662553 589173631 /nfs/dbraw/zinc/17/36/31/589173631.db2.gz YAQREAHQYHMOFB-NSHDSACASA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861658733 589173658 /nfs/dbraw/zinc/17/36/58/589173658.db2.gz MTODZKDDNRIZBJ-VIFPVBQESA-N 1 0 207.277 0.203 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861661815 589173796 /nfs/dbraw/zinc/17/37/96/589173796.db2.gz WCCAXICTHVHTNG-JTQLQIEISA-N 1 0 221.304 0.594 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCCOCC[NH2+]C ZINC000861676041 589173963 /nfs/dbraw/zinc/17/39/63/589173963.db2.gz NJQCDSJLWNCRDR-NSHDSACASA-N 1 0 241.335 0.324 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCC1([NH3+])CCOCC1 ZINC000861668743 589174119 /nfs/dbraw/zinc/17/41/19/589174119.db2.gz XTNVACRKWSMASB-JTQLQIEISA-N 1 0 239.319 0.157 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861673438 589174141 /nfs/dbraw/zinc/17/41/41/589174141.db2.gz NACLMJGQRGWDCP-GARJFASQSA-N 1 0 223.320 0.790 20 30 BCEDRO CC(C)C#CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861911944 589183180 /nfs/dbraw/zinc/18/31/80/589183180.db2.gz HPQADHYIVIXBKR-PJXYFTJBSA-N 1 0 220.316 0.664 20 30 BCEDRO C#CC[C@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000862566317 589223292 /nfs/dbraw/zinc/22/32/92/589223292.db2.gz LUXNDYLWHOBHGA-RYUDHWBXSA-N 1 0 220.316 0.810 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NN1CCC[C@@H]1COC ZINC000862593985 589227271 /nfs/dbraw/zinc/22/72/71/589227271.db2.gz SEHQKUUACOKBFQ-LLVKDONJSA-N 1 0 241.335 0.246 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@@H]1CCCCO1 ZINC000863105327 589256595 /nfs/dbraw/zinc/25/65/95/589256595.db2.gz MTTBHOBKYFDYNC-SCZZXKLOSA-N 1 0 224.308 0.869 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cccc3n[nH]cc32)N1 ZINC000863105614 589256820 /nfs/dbraw/zinc/25/68/20/589256820.db2.gz VYDLGCXMYNOFHV-MRVPVSSYSA-N 1 0 242.286 0.834 20 30 BCEDRO C[C@@H]1C[N@@H+](C2CC2)CC1N=NCC(C)(C)O ZINC000863138079 589262246 /nfs/dbraw/zinc/26/22/46/589262246.db2.gz YRRGSRPKJBERAG-SECBINFHSA-N 1 0 225.336 0.817 20 30 BCEDRO C#CC[C@H]1CCN(C(=S)NCC[NH+](C)C)C1 ZINC000863207554 589271293 /nfs/dbraw/zinc/27/12/93/589271293.db2.gz ZDIVSHCTGSEROL-NSHDSACASA-N 1 0 239.388 0.768 20 30 BCEDRO C=CCNC(=S)NC[C@H]1CCC[N@H+]1C ZINC000863215069 589271746 /nfs/dbraw/zinc/27/17/46/589271746.db2.gz PGMGDOKZKSQCBR-SECBINFHSA-N 1 0 213.350 0.731 20 30 BCEDRO C=C(C)CNC(=S)NCC[N@@H+]1CC[C@H](O)C1 ZINC000863253754 589274747 /nfs/dbraw/zinc/27/47/47/589274747.db2.gz WISIYFADEPZKGT-JTQLQIEISA-N 1 0 243.376 0.093 20 30 BCEDRO C#CCC(C)(C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863319956 589279253 /nfs/dbraw/zinc/27/92/53/589279253.db2.gz XZABMAHRMIOCBM-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C=CCN1CC[C@@H](N(C)C[C@H](C)[NH3+])C1=O ZINC000863567333 589299581 /nfs/dbraw/zinc/29/95/81/589299581.db2.gz CJYYDUYMQVEVNF-VHSXEESVSA-N 1 0 211.309 0.052 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)CCC(C)C ZINC000863574684 589301127 /nfs/dbraw/zinc/30/11/27/589301127.db2.gz DXVFLWDBKCVNHU-GFCCVEGCSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]CC1(O)CCC1 ZINC000863588841 589302744 /nfs/dbraw/zinc/30/27/44/589302744.db2.gz HUDDQTVBRFAMHK-LLVKDONJSA-N 1 0 211.305 0.919 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](O)COCC ZINC000863589368 589302781 /nfs/dbraw/zinc/30/27/81/589302781.db2.gz NJTJVPRQHCMCQX-NEPJUHHUSA-N 1 0 229.320 0.402 20 30 BCEDRO C=CCN(C(=O)C(=O)N(C)C[C@H](C)[NH3+])C(C)C ZINC000863750630 589314289 /nfs/dbraw/zinc/31/42/89/589314289.db2.gz SCDSDNAFFCASDW-JTQLQIEISA-N 1 0 241.335 0.215 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000863786526 589318001 /nfs/dbraw/zinc/31/80/01/589318001.db2.gz CBOPKIJCXMAKEJ-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C[N@H+](C)C(C)C ZINC000863798478 589319187 /nfs/dbraw/zinc/31/91/87/589319187.db2.gz LWYWOIZCSPKYOA-LLVKDONJSA-N 1 0 226.320 0.481 20 30 BCEDRO C#CC[C@H](COC)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000863807184 589320822 /nfs/dbraw/zinc/32/08/22/589320822.db2.gz ZRUJEXJIGUBBGS-IJLUTSLNSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCC(CC#C)C(=O)NCC1([NH2+]C)CCC1 ZINC000863921711 589326473 /nfs/dbraw/zinc/32/64/73/589326473.db2.gz FCODQIMULXVCRY-UHFFFAOYSA-N 1 0 232.327 0.908 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)C[N@@H+](C)C1CCC1 ZINC000863926352 589326896 /nfs/dbraw/zinc/32/68/96/589326896.db2.gz WRCCFJWXLXIFOP-NSHDSACASA-N 1 0 236.315 0.331 20 30 BCEDRO C#Cc1ccc(C(=O)NCC2([NH2+]C)CCC2)cn1 ZINC000863923366 589327009 /nfs/dbraw/zinc/32/70/09/589327009.db2.gz PTXCDAINSVQLFO-UHFFFAOYSA-N 1 0 243.310 0.935 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)C[C@@](C)(O)C1CC1)C1CC1 ZINC000863970116 589329885 /nfs/dbraw/zinc/32/98/85/589329885.db2.gz PMPJTCJTMLMNPK-ZIAGYGMSSA-N 1 0 237.343 0.996 20 30 BCEDRO C=CCNC(NC[C@@H](O)C(F)(F)F)=[NH+]CC ZINC000864236629 589348575 /nfs/dbraw/zinc/34/85/75/589348575.db2.gz RVSGJVUMHWLITM-SSDOTTSWSA-N 1 0 239.241 0.651 20 30 BCEDRO CNC(NCc1ccc2oc(=O)n(C)c2c1)=[NH+]C ZINC000864355509 589355195 /nfs/dbraw/zinc/35/51/95/589355195.db2.gz GRBXGOLQIITTKU-UHFFFAOYSA-N 1 0 248.286 0.426 20 30 BCEDRO CCNC(NCc1cnn(CC)n1)=[NH+]CC ZINC000864355569 589355223 /nfs/dbraw/zinc/35/52/23/589355223.db2.gz HNUHVIIQAKTAPD-UHFFFAOYSA-N 1 0 224.312 0.373 20 30 BCEDRO C=CCNC(=O)N[C@H]1CC[N@@H+](CC(C)(C)O)C1 ZINC000864407639 589359278 /nfs/dbraw/zinc/35/92/78/589359278.db2.gz LNZQDWOHEKXFIU-JTQLQIEISA-N 1 0 241.335 0.317 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000864422743 589361513 /nfs/dbraw/zinc/36/15/13/589361513.db2.gz NOSOWJVVFJKBEF-QWRGUYRKSA-N 1 0 221.304 0.355 20 30 BCEDRO C#CCSCCNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864461121 589368825 /nfs/dbraw/zinc/36/88/25/589368825.db2.gz MHBLXTYHFLPNSH-DTWKUNHWSA-N 1 0 211.334 0.875 20 30 BCEDRO C=C[C@](C)(O)c1cn(CC[NH+]2CCCC2)nn1 ZINC000864651965 589388343 /nfs/dbraw/zinc/38/83/43/589388343.db2.gz GDEIWCJEQPHKDW-LBPRGKRZSA-N 1 0 236.319 0.767 20 30 BCEDRO CN1CCN(N=C2C[NH+]3CCC2CC3)CC1 ZINC000864831808 589396895 /nfs/dbraw/zinc/39/68/95/589396895.db2.gz PTJYUNPWWCBZPL-UHFFFAOYSA-N 1 0 222.336 0.315 20 30 BCEDRO C#CCNC(=S)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000865268158 589417392 /nfs/dbraw/zinc/41/73/92/589417392.db2.gz AZBRIFIWMKJWIL-LLVKDONJSA-N 1 0 239.388 0.766 20 30 BCEDRO C=CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000865344497 589422994 /nfs/dbraw/zinc/42/29/94/589422994.db2.gz LOTACAXLKCQKBG-VHSXEESVSA-N 1 0 209.293 0.708 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1cn(CCC)nn1 ZINC000865519535 589443177 /nfs/dbraw/zinc/44/31/77/589443177.db2.gz ALIBURRXJQLXMQ-LLVKDONJSA-N 1 0 238.335 0.962 20 30 BCEDRO Cc1cc(C#N)cc(N2CCC([NH3+])(CO)CC2)n1 ZINC000865539521 589444648 /nfs/dbraw/zinc/44/46/48/589444648.db2.gz UQMSTETUNOMFRN-UHFFFAOYSA-N 1 0 246.314 0.552 20 30 BCEDRO Cc1cc(C[NH2+]C[C@@H](O)[C@@H](C)O)ccc1C#N ZINC000865738293 589459905 /nfs/dbraw/zinc/45/99/05/589459905.db2.gz FDLFKZMSXWCXCR-ZWNOBZJWSA-N 1 0 234.299 0.698 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@@H]2COCC[C@H]2O)cc1 ZINC000865749534 589460621 /nfs/dbraw/zinc/46/06/21/589460621.db2.gz DMUQCWAHNODYCW-ZIAGYGMSSA-N 1 0 231.295 0.907 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1coc(C#N)c1 ZINC000865808618 589462547 /nfs/dbraw/zinc/46/25/47/589462547.db2.gz QAVAYNHMTDFGDH-SNVBAGLBSA-N 1 0 233.271 0.975 20 30 BCEDRO C#CC(C)(C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000865834180 589463783 /nfs/dbraw/zinc/46/37/83/589463783.db2.gz LLDZYDOWMLHFJG-UHFFFAOYSA-N 1 0 248.330 0.586 20 30 BCEDRO C#CC1CCN(c2nc(C)nc(N)n2)CC1 ZINC000865900034 589467737 /nfs/dbraw/zinc/46/77/37/589467737.db2.gz DPKYGPFIVPRWPT-UHFFFAOYSA-N 1 0 217.276 0.612 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3cncc(C#N)n3)CC[C@@H]21 ZINC000866205773 589480038 /nfs/dbraw/zinc/48/00/38/589480038.db2.gz AGYHOBWLSBGVEN-PWSUYJOCSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3ccc(C#N)nn3)CC[C@@H]21 ZINC000866205498 589480182 /nfs/dbraw/zinc/48/01/82/589480182.db2.gz MSRWRDOLOZKEHL-PWSUYJOCSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3ccnc(C#N)n3)CC[C@H]21 ZINC000866209681 589480398 /nfs/dbraw/zinc/48/03/98/589480398.db2.gz UYUNZYTYGJKKAQ-WDEREUQCSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3cnc(C#N)cn3)CC[C@H]21 ZINC000866207181 589480427 /nfs/dbraw/zinc/48/04/27/589480427.db2.gz VPTGMAYWKINKAM-ZYHUDNBSSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3cc(C#N)ncn3)CC[C@H]21 ZINC000866210176 589480502 /nfs/dbraw/zinc/48/05/02/589480502.db2.gz YZIDMFHDFICOPH-ZYHUDNBSSA-N 1 0 243.314 0.879 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000121080491 589493319 /nfs/dbraw/zinc/49/33/19/589493319.db2.gz NHUXPKJDNZIJNI-JTQLQIEISA-N 1 0 249.401 0.766 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866613301 589505164 /nfs/dbraw/zinc/50/51/64/589505164.db2.gz ARSYNPNDDKQBFE-NOZJJQNGSA-N 1 0 243.310 0.879 20 30 BCEDRO N#Cc1cc(C(=O)N2CCC[C@H]([NH3+])C2)co1 ZINC000867927604 589540133 /nfs/dbraw/zinc/54/01/33/589540133.db2.gz JXOUHLXINMTDKN-VIFPVBQESA-N 1 0 219.244 0.715 20 30 BCEDRO C[C@H]1[C@@H]([NH3+])CCN1C(=O)c1coc(C#N)c1 ZINC000867973647 589542132 /nfs/dbraw/zinc/54/21/32/589542132.db2.gz FYRGQUKCQUVYIE-XVKPBYJWSA-N 1 0 219.244 0.713 20 30 BCEDRO CC[NH2+]CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868037363 589545759 /nfs/dbraw/zinc/54/57/59/589545759.db2.gz CLYICEWTLISRPO-CYBMUJFWSA-N 1 0 243.310 0.751 20 30 BCEDRO C[C@@H]([NH3+])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868037598 589545992 /nfs/dbraw/zinc/54/59/92/589545992.db2.gz GIYQPVQYMGEVAI-PRHODGIISA-N 1 0 229.283 0.489 20 30 BCEDRO C#CCCNC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000868253623 589552904 /nfs/dbraw/zinc/55/29/04/589552904.db2.gz WJWDDQMVGMGSKO-RYUDHWBXSA-N 1 0 235.331 0.745 20 30 BCEDRO C[C@@H]1CN(C(=O)c2coc(C#N)c2)[C@H](C)C[NH2+]1 ZINC000870913446 589696676 /nfs/dbraw/zinc/69/66/76/589696676.db2.gz VACXPDJVPAAYDC-RKDXNWHRSA-N 1 0 233.271 0.974 20 30 BCEDRO N#CCc1ccsc1C(=O)NCC[NH3+] ZINC000870931402 589697591 /nfs/dbraw/zinc/69/75/91/589697591.db2.gz VJQKFMYVWZDVFK-UHFFFAOYSA-N 1 0 209.274 0.503 20 30 BCEDRO Cc1cnc(F)c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000870941631 589699493 /nfs/dbraw/zinc/69/94/93/589699493.db2.gz XEZWTAAHHVVUJU-WCBMZHEXSA-N 1 0 248.261 0.371 20 30 BCEDRO Cc1cc(F)ncc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000870940881 589699500 /nfs/dbraw/zinc/69/95/00/589699500.db2.gz NOILUOYZWVZBPI-PSASIEDQSA-N 1 0 248.261 0.371 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870968284 589702698 /nfs/dbraw/zinc/70/26/98/589702698.db2.gz QEAVKZQWACWFLW-AOOOYVTPSA-N 1 0 212.293 0.433 20 30 BCEDRO CC[C@@H]([NH3+])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000871012669 589711173 /nfs/dbraw/zinc/71/11/73/589711173.db2.gz ZZUGWHVHRREGTB-QWHCGFSZSA-N 1 0 243.310 0.879 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)CCO)CC1 ZINC000123555419 589751672 /nfs/dbraw/zinc/75/16/72/589751672.db2.gz VJUWUFPYKQLSTP-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO CNC(NC[C@@H]1C[C@@H]2CCC[C@@H]2O1)=[NH+]C ZINC000871603285 589770434 /nfs/dbraw/zinc/77/04/34/589770434.db2.gz MNERIHZETCHGJA-GUBZILKMSA-N 1 0 211.309 0.739 20 30 BCEDRO CNC(NCc1ccc2oc(=O)[nH]c2c1)=[NH+]C ZINC000871603148 589773478 /nfs/dbraw/zinc/77/34/78/589773478.db2.gz HGCYNNDWXUZLTM-UHFFFAOYSA-N 1 0 234.259 0.828 20 30 BCEDRO C#CCNC(=O)[C@H](C)ON=C(N)C1CCC1 ZINC000871764185 589809377 /nfs/dbraw/zinc/80/93/77/589809377.db2.gz GAIDMZQMWDDBHP-QMMMGPOBSA-N 1 0 223.276 0.423 20 30 BCEDRO C#CCCCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872202950 589891119 /nfs/dbraw/zinc/89/11/19/589891119.db2.gz OKCNLELYSVOBDN-LLVKDONJSA-N 1 0 213.321 0.901 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CC(C)(C)O)[C@H]1CCCO1 ZINC000872206649 589892368 /nfs/dbraw/zinc/89/23/68/589892368.db2.gz ZIDPSYVSAHWXKB-GRYCIOLGSA-N 1 0 241.331 0.279 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872210316 589894215 /nfs/dbraw/zinc/89/42/15/589894215.db2.gz VNVHWKHSOFPTEX-SRVKXCTJSA-N 1 0 243.347 0.689 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1[C@H]2C[C@H]3CO[C@H]1[C@H]3C2 ZINC000872221754 589896674 /nfs/dbraw/zinc/89/66/74/589896674.db2.gz JNDLQCPULBMPSD-JZKMBYMZSA-N 1 0 248.326 0.139 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CC12CCC2 ZINC000872252392 589900349 /nfs/dbraw/zinc/90/03/49/589900349.db2.gz SXLOJLNOXMDLLL-JTQLQIEISA-N 1 0 206.289 0.658 20 30 BCEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@H](O)COC)CC1 ZINC000872250521 589900798 /nfs/dbraw/zinc/90/07/98/589900798.db2.gz IVVCVOGYTMBMDV-SRVKXCTJSA-N 1 0 211.305 0.775 20 30 BCEDRO COc1ccnc(N=NC2CC[N@H+](C)[C@H]2C)n1 ZINC000872342085 589915118 /nfs/dbraw/zinc/91/51/18/589915118.db2.gz HWMSCYKPUMVDMW-QMMMGPOBSA-N 1 0 235.291 0.977 20 30 BCEDRO C[C@@H]1C(N=Nc2ccc(C(N)=O)nn2)CC[N@@H+]1C ZINC000872356229 589917299 /nfs/dbraw/zinc/91/72/99/589917299.db2.gz FYVUNFDIOBYCFT-SSDOTTSWSA-N 1 0 248.290 0.067 20 30 BCEDRO CCNc1ccccc1C=[NH+]OCC(N)=O ZINC000872362407 589920031 /nfs/dbraw/zinc/92/00/31/589920031.db2.gz PWVWQALFJNVGMN-UHFFFAOYSA-N 1 0 221.260 0.954 20 30 BCEDRO COc1cncc(C=NNC2=[NH+]C[C@H](C)N2)c1C ZINC000872364546 589920878 /nfs/dbraw/zinc/92/08/78/589920878.db2.gz NJSCQVGMWJRDMS-QMMMGPOBSA-N 1 0 247.302 0.670 20 30 BCEDRO C[C@H]1CNC(NN=C2CCN(C)[C@H]2C)=[NH+]1 ZINC000872364624 589920914 /nfs/dbraw/zinc/92/09/14/589920914.db2.gz PGUSDZZBLNFJCO-YUMQZZPRSA-N 1 0 209.297 0.004 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]N[C@@H]1CCOC1 ZINC000872370726 589923134 /nfs/dbraw/zinc/92/31/34/589923134.db2.gz CYPVISKIXGMRDQ-SECBINFHSA-N 1 0 220.276 0.685 20 30 BCEDRO C[NH+](C)C1(C)CCC(N=NCCO)CC1 ZINC000872378321 589926724 /nfs/dbraw/zinc/92/67/24/589926724.db2.gz CRLYQCHFCOCNSL-UHFFFAOYSA-N 1 0 213.325 0.819 20 30 BCEDRO C[C@@H](O)CN(C)N=CC1CC[NH+](C)CC1 ZINC000872381545 589928512 /nfs/dbraw/zinc/92/85/12/589928512.db2.gz SLMDFRYDSOPUIO-SNVBAGLBSA-N 1 0 213.325 0.627 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]N(C)[C@@H](C)CO ZINC000872384006 589928821 /nfs/dbraw/zinc/92/88/21/589928821.db2.gz AMGBPKBANXQXFO-VIFPVBQESA-N 1 0 222.292 0.619 20 30 BCEDRO COc1cncc(C=NNC2=[NH+]CCN2)c1C ZINC000872385690 589929223 /nfs/dbraw/zinc/92/92/23/589929223.db2.gz MEVLWWFMKGLNQW-UHFFFAOYSA-N 1 0 233.275 0.281 20 30 BCEDRO Cc1cc(N=NC2C[C@H](C)[N@@H+](C)C2)nc(N)n1 ZINC000872420949 589937728 /nfs/dbraw/zinc/93/77/28/589937728.db2.gz SDWHNIMREZVEOV-QMMMGPOBSA-N 1 0 234.307 0.859 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)Nc2cnn(CC#N)c2)C1 ZINC000874254120 590100043 /nfs/dbraw/zinc/10/00/43/590100043.db2.gz JLDOZXYAQFXMHP-SNVBAGLBSA-N 1 0 247.302 0.687 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000874825052 590142431 /nfs/dbraw/zinc/14/24/31/590142431.db2.gz IILNTUGQDJHDOR-VWYCJHECSA-N 1 0 224.304 0.228 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874828447 590142750 /nfs/dbraw/zinc/14/27/50/590142750.db2.gz WMBCCMRGFZPYIX-WZRBSPASSA-N 1 0 238.331 0.619 20 30 BCEDRO CON=CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874831093 590143489 /nfs/dbraw/zinc/14/34/89/590143489.db2.gz XZUNGNXNYCNKSZ-NXEZZACHSA-N 1 0 225.292 0.314 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)NCC[NH+](C)C ZINC000875918241 590176949 /nfs/dbraw/zinc/17/69/49/590176949.db2.gz NQPAZCZLZHGJFR-LLVKDONJSA-N 1 0 241.335 0.276 20 30 BCEDRO C#CC[C@H](COC)NC(=O)N(C)CC[NH+](C)C ZINC000875924788 590177844 /nfs/dbraw/zinc/17/78/44/590177844.db2.gz VVDICAKSYQTTAW-LLVKDONJSA-N 1 0 241.335 0.228 20 30 BCEDRO C#CC[C@H](COC)NC(=O)NCC[NH+]1CCC1 ZINC000875925147 590177879 /nfs/dbraw/zinc/17/78/79/590177879.db2.gz MRWHFKBDAWUMNG-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1C(=O)C#CC(C)(C)C ZINC000876515594 590206577 /nfs/dbraw/zinc/20/65/77/590206577.db2.gz VMXAZPFPDLMKII-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C[NH2+]CC1CCN(C(=O)C#CC2CC2)CC1 ZINC000876527074 590209247 /nfs/dbraw/zinc/20/92/47/590209247.db2.gz QWKQJKQOZSWRKR-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)C#CC(C)(C)C)CCO1 ZINC000876544527 590213169 /nfs/dbraw/zinc/21/31/69/590213169.db2.gz VPQBBHFOYONCIZ-QWRGUYRKSA-N 1 0 238.331 0.611 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCC ZINC000876564932 590216191 /nfs/dbraw/zinc/21/61/91/590216191.db2.gz OBPAMEVGXCAZGD-YUMQZZPRSA-N 1 0 247.726 0.097 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CC)COC ZINC000876577776 590218094 /nfs/dbraw/zinc/21/80/94/590218094.db2.gz NYTQWSKMHJTOOW-RKDXNWHRSA-N 1 0 234.727 0.998 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)OC ZINC000876599288 590220319 /nfs/dbraw/zinc/22/03/19/590220319.db2.gz ZINQXDMGBIVVDC-BQBZGAKWSA-N 1 0 234.683 0.134 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCNC(C)=O ZINC000876599256 590220556 /nfs/dbraw/zinc/22/05/56/590220556.db2.gz YRWLAYCRJUPCQM-SECBINFHSA-N 1 0 247.726 0.099 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CCOC ZINC000876636984 590224713 /nfs/dbraw/zinc/22/47/13/590224713.db2.gz HRJWJZABRCCYSM-BDAKNGLRSA-N 1 0 234.727 0.998 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(F)F ZINC000876655223 590226217 /nfs/dbraw/zinc/22/62/17/590226217.db2.gz HKUBMRMQCJQHRO-RXMQYKEDSA-N 1 0 212.627 0.838 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](O)[C@@H](C)CC ZINC000876658777 590227268 /nfs/dbraw/zinc/22/72/68/590227268.db2.gz FWQPYRBOMOTEJZ-UJNFCWOMSA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](CC)CCO ZINC000876668046 590227883 /nfs/dbraw/zinc/22/78/83/590227883.db2.gz FMGNINKVZHDFCU-ZJUUUORDSA-N 1 0 248.754 0.981 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCn1ccnc1 ZINC000876709019 590232730 /nfs/dbraw/zinc/23/27/30/590232730.db2.gz HASLQJKAZBWMPP-VIFPVBQESA-N 1 0 242.710 0.469 20 30 BCEDRO C#CC[N@H+](CC#CC)C[C@@]1(OC)CCOC1 ZINC000876751146 590238218 /nfs/dbraw/zinc/23/82/18/590238218.db2.gz YIGWAQJXESOJHQ-ZDUSSCGKSA-N 1 0 221.300 0.750 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)c1cnn(C)c1 ZINC000876770330 590239792 /nfs/dbraw/zinc/23/97/92/590239792.db2.gz CVWIPANPPZFLFS-VIFPVBQESA-N 1 0 242.710 0.853 20 30 BCEDRO CC1(CNC(=O)C#CC2CC2)CC[NH2+]CC1 ZINC000876797785 590242808 /nfs/dbraw/zinc/24/28/08/590242808.db2.gz AKBFHCTVFZAEJR-UHFFFAOYSA-N 1 0 220.316 0.906 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1CCC=CCC1 ZINC000876801304 590243097 /nfs/dbraw/zinc/24/30/97/590243097.db2.gz AUIBVLQOEJZZDJ-NEPJUHHUSA-N 1 0 233.315 0.961 20 30 BCEDRO CCO[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C(C)C ZINC000876801341 590243136 /nfs/dbraw/zinc/24/31/36/590243136.db2.gz BKQPRGVRIZGHEN-DCAQKATOSA-N 1 0 239.319 0.275 20 30 BCEDRO [NH3+][C@@H]1CCC[C@@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000876799955 590243260 /nfs/dbraw/zinc/24/32/60/590243260.db2.gz NCSLLERGZMMGPV-JHJVBQTASA-N 1 0 232.327 0.986 20 30 BCEDRO CC1=C(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCCO1 ZINC000876803395 590243611 /nfs/dbraw/zinc/24/36/11/590243611.db2.gz WEPKCWCHTUAJRT-MWLCHTKSSA-N 1 0 235.287 0.299 20 30 BCEDRO CC/C=C(/F)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876802537 590243680 /nfs/dbraw/zinc/24/36/80/590243680.db2.gz QBTPXIGPKRMFGV-SEGKZLOCSA-N 1 0 211.240 0.478 20 30 BCEDRO CCCc1nc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)co1 ZINC000876803176 590243707 /nfs/dbraw/zinc/24/37/07/590243707.db2.gz UWGCPWJPXQYTEM-DTWKUNHWSA-N 1 0 248.286 0.468 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(C(F)F)CCC1 ZINC000876802500 590243725 /nfs/dbraw/zinc/24/37/25/590243725.db2.gz PLYDULLYGABINQ-SFYZADRCSA-N 1 0 243.257 0.650 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@]12C[C@@H]1CCCC2 ZINC000876803904 590244061 /nfs/dbraw/zinc/24/40/61/590244061.db2.gz YYTWPEDEHAJLJM-BLFANLJRSA-N 1 0 233.315 0.794 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C#CC1CC1 ZINC000876813887 590245426 /nfs/dbraw/zinc/24/54/26/590245426.db2.gz YFOFPPIKKVSJCF-KOLCDFICSA-N 1 0 206.289 0.514 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000876830913 590247389 /nfs/dbraw/zinc/24/73/89/590247389.db2.gz ALRCSZZWEIYLDK-AEJSXWLSSA-N 1 0 245.754 0.665 20 30 BCEDRO CC[C@H]1CN(C(=O)C#CC2CC2)CC[C@H]1[NH3+] ZINC000876834609 590247911 /nfs/dbraw/zinc/24/79/11/590247911.db2.gz SVESMHWRCZAYAR-NWDGAFQWSA-N 1 0 220.316 0.986 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)C#CC2CC2)CC[NH2+]1 ZINC000876835652 590248064 /nfs/dbraw/zinc/24/80/64/590248064.db2.gz ZFTQMQCYHFZEGP-MWLCHTKSSA-N 1 0 206.289 0.657 20 30 BCEDRO C[C@@H]1CC[NH2+][C@@H](C)[C@@H]1NC(=O)C#CC1CC1 ZINC000876847204 590249099 /nfs/dbraw/zinc/24/90/99/590249099.db2.gz ARPLDUGWYHYMGH-GBIKHYSHSA-N 1 0 220.316 0.903 20 30 BCEDRO CC1(C)[NH2+]CC[C@H]1NC(=O)C#CC1CC1 ZINC000876870966 590252047 /nfs/dbraw/zinc/25/20/47/590252047.db2.gz FDIAXXPEFZGKHK-SNVBAGLBSA-N 1 0 206.289 0.657 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1O ZINC000876881722 590252966 /nfs/dbraw/zinc/25/29/66/590252966.db2.gz NMVOEYNFXHMXER-UTLUCORTSA-N 1 0 246.738 0.876 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1O ZINC000876880820 590253144 /nfs/dbraw/zinc/25/31/44/590253144.db2.gz NMVOEYNFXHMXER-OPRDCNLKSA-N 1 0 246.738 0.876 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000876925233 590257905 /nfs/dbraw/zinc/25/79/05/590257905.db2.gz XQSOVOLNILJGOD-ZDUSSCGKSA-N 1 0 218.300 0.754 20 30 BCEDRO O=C(C#CC1CC1)N1CCC2(CC[NH2+]2)CC1 ZINC000876927641 590258425 /nfs/dbraw/zinc/25/84/25/590258425.db2.gz IAADJTDSNSTPTJ-UHFFFAOYSA-N 1 0 218.300 0.754 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876932884 590258723 /nfs/dbraw/zinc/25/87/23/590258723.db2.gz YROUNOISJHZODX-MMWGEVLESA-N 1 0 239.294 0.742 20 30 BCEDRO [NH3+]C[C@]12CCC[C@H]1CN(C(=O)C#CC1CC1)C2 ZINC000876946656 590259740 /nfs/dbraw/zinc/25/97/40/590259740.db2.gz NVMQCZNCDATNLQ-JSGCOSHPSA-N 1 0 232.327 0.987 20 30 BCEDRO CC(C)[C@H]([NH3+])CCNC(=O)C#CC1CC1 ZINC000876975862 590263621 /nfs/dbraw/zinc/26/36/21/590263621.db2.gz FNGITPLOQLGIST-LLVKDONJSA-N 1 0 208.305 0.889 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000876974683 590263493 /nfs/dbraw/zinc/26/34/93/590263493.db2.gz PJUGDTZLTRKRMO-UWVGGRQHSA-N 1 0 226.320 0.679 20 30 BCEDRO C=CCOCCNC(=O)/C=C/[C@@H]1CCC[NH2+]C1 ZINC000876974998 590263584 /nfs/dbraw/zinc/26/35/84/590263584.db2.gz ZRNYIOZSCPXSSM-FYJFLYSWSA-N 1 0 238.331 0.861 20 30 BCEDRO C=CCOCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876974731 590263723 /nfs/dbraw/zinc/26/37/23/590263723.db2.gz QZYMKNCYSLHPEV-VHSXEESVSA-N 1 0 230.283 0.253 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cc(C2CC2)no1 ZINC000876989295 590265964 /nfs/dbraw/zinc/26/59/64/590265964.db2.gz RQEYZBFLVKRKOK-UHFFFAOYSA-N 1 0 247.298 0.781 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@H](CO)C2CC2)n1 ZINC000877044766 590273996 /nfs/dbraw/zinc/27/39/96/590273996.db2.gz GYEIFGKCFHXIAJ-LBPRGKRZSA-N 1 0 217.272 0.814 20 30 BCEDRO CN(CCOCC[NH3+])C(=O)c1coc(C#N)c1 ZINC000877056313 590275731 /nfs/dbraw/zinc/27/57/31/590275731.db2.gz JJEPDOTXAUAVOD-UHFFFAOYSA-N 1 0 237.259 0.199 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@H](O)c1cnn(C)c1 ZINC000877072224 590277908 /nfs/dbraw/zinc/27/79/08/590277908.db2.gz IQEFYCXRPNWBMS-PWSUYJOCSA-N 1 0 236.319 0.983 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877100929 590279554 /nfs/dbraw/zinc/27/95/54/590279554.db2.gz YMESPRMPYAVBIN-ZJUUUORDSA-N 1 0 214.309 0.773 20 30 BCEDRO C#CCCCC[NH2+]Cc1cnc(N)nc1N ZINC000877087867 590280522 /nfs/dbraw/zinc/28/05/22/590280522.db2.gz VFFQUDNVDVHSAH-UHFFFAOYSA-N 1 0 219.292 0.534 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cc[nH]n1 ZINC000877119553 590288920 /nfs/dbraw/zinc/28/89/20/590288920.db2.gz HONXCZRWSORRHL-LURJTMIESA-N 1 0 214.656 0.818 20 30 BCEDRO C=C(Cl)C[C@@H](NC(=O)[C@H](C)[NH3+])C(=O)OCC ZINC000877144567 590291437 /nfs/dbraw/zinc/29/14/37/590291437.db2.gz PVQSYLVJRVLXAC-JGVFFNPUSA-N 1 0 248.710 0.524 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@]1(F)CC[NH2+]C1 ZINC000877145555 590292418 /nfs/dbraw/zinc/29/24/18/590292418.db2.gz KTTYGQMPHIPWOY-SCZZXKLOSA-N 1 0 213.256 0.449 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877145893 590292424 /nfs/dbraw/zinc/29/24/24/590292424.db2.gz RIYKSOAPFXDODI-MNOVXSKESA-N 1 0 239.319 0.516 20 30 BCEDRO [NH3+]CC12CCC(CC1)N2C(=O)C#CC1CC1 ZINC000877185029 590298622 /nfs/dbraw/zinc/29/86/22/590298622.db2.gz WTPIQJHJEXYLSJ-UHFFFAOYSA-N 1 0 218.300 0.882 20 30 BCEDRO C=CCOCC(=O)N1C2CCC1(C[NH3+])CC2 ZINC000877190813 590298880 /nfs/dbraw/zinc/29/88/80/590298880.db2.gz UXVGESLCXIZIEY-UHFFFAOYSA-N 1 0 224.304 0.671 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]CCC[C@@H]1CCO1 ZINC000877194404 590298964 /nfs/dbraw/zinc/29/89/64/590298964.db2.gz LBQAQSHSXGPFGN-LLVKDONJSA-N 1 0 247.360 0.746 20 30 BCEDRO CN(C(=O)[C@]1(F)CC[NH2+]C1)[C@H]1CCC[C@@H]1C#N ZINC000877196781 590299738 /nfs/dbraw/zinc/29/97/38/590299738.db2.gz KBLOHIOJZMYKBF-SCVCMEIPSA-N 1 0 239.294 0.839 20 30 BCEDRO CC[NH2+]CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000877197711 590299892 /nfs/dbraw/zinc/29/98/92/590299892.db2.gz WIYVAKTZOQKGKG-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO CC[NH2+]CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000877197708 590299948 /nfs/dbraw/zinc/29/99/48/590299948.db2.gz WIYVAKTZOQKGKG-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)Cc1ncc[nH]1 ZINC000877233475 590302037 /nfs/dbraw/zinc/30/20/37/590302037.db2.gz UMAYZICYLIJTOZ-QMMMGPOBSA-N 1 0 242.710 0.838 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242666 590302531 /nfs/dbraw/zinc/30/25/31/590302531.db2.gz VRQZEPACWOXXHV-HRDYMLBCSA-N 1 0 231.727 0.310 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N1CCn2nccc21 ZINC000877293143 590307728 /nfs/dbraw/zinc/30/77/28/590307728.db2.gz JIZGPEKLSKBZGY-UHFFFAOYSA-N 1 0 244.298 0.233 20 30 BCEDRO C#CC[C@H](N[C@@H]1CC[N@H+](C)[C@H](C)C1)C(=O)OC ZINC000877583784 590367167 /nfs/dbraw/zinc/36/71/67/590367167.db2.gz UITXTRCHBKTRPL-UTUOFQBUSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)Cn1cncn1 ZINC000877659966 590386858 /nfs/dbraw/zinc/38/68/58/590386858.db2.gz BZMHBVVDNFRCKK-NWDGAFQWSA-N 1 0 236.319 0.685 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1ncnn1C ZINC000877661209 590387271 /nfs/dbraw/zinc/38/72/71/590387271.db2.gz XTCICMORIKGALN-SNVBAGLBSA-N 1 0 222.292 0.333 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)c1 ZINC000877749351 590413400 /nfs/dbraw/zinc/41/34/00/590413400.db2.gz SQPJPPFTUIXZHF-OLZOCXBDSA-N 1 0 232.283 0.486 20 30 BCEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000877749798 590414508 /nfs/dbraw/zinc/41/45/08/590414508.db2.gz WRVHGFSCPOBJJW-KGLIPLIRSA-N 1 0 231.295 0.595 20 30 BCEDRO C[C@H](CCC#N)C[N@H+](C)CCS(N)(=O)=O ZINC000877827027 590428867 /nfs/dbraw/zinc/42/88/67/590428867.db2.gz LDRRNRIKIYNGSZ-SECBINFHSA-N 1 0 233.337 0.147 20 30 BCEDRO C#CC[N@H+](C)CCn1c(C)ncc1[N+](=O)[O-] ZINC000877887619 590439700 /nfs/dbraw/zinc/43/97/00/590439700.db2.gz PKDXDQFOQKLHQZ-UHFFFAOYSA-N 1 0 222.248 0.665 20 30 BCEDRO C#CCCCCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000878018544 590472887 /nfs/dbraw/zinc/47/28/87/590472887.db2.gz QFLPXQFJPRWHFO-LLVKDONJSA-N 1 0 224.304 0.366 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCN(C[C@H](C)O)CC1 ZINC000878047229 590481077 /nfs/dbraw/zinc/48/10/77/590481077.db2.gz CSSDMCVLFBBMKN-RYUDHWBXSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CC[C@@H](C(=O)OC)N1CC[C@H](C[NH+](C)C)C1 ZINC000878105118 590494877 /nfs/dbraw/zinc/49/48/77/590494877.db2.gz WNZGCIGILYKRCS-NEPJUHHUSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@H+](C)CC(C)(C)O ZINC000878108662 590496277 /nfs/dbraw/zinc/49/62/77/590496277.db2.gz LZQGNAARCLDCDI-SECBINFHSA-N 1 0 215.293 0.807 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000878112675 590497074 /nfs/dbraw/zinc/49/70/74/590497074.db2.gz UNAJLRUDTGERSL-UWVGGRQHSA-N 1 0 232.349 0.575 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H](O)CC1(CO)CCCC1 ZINC000878153919 590508048 /nfs/dbraw/zinc/50/80/48/590508048.db2.gz YXFKCBQBYYLLIO-AWEZNQCLSA-N 1 0 249.354 0.859 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000878174720 590516139 /nfs/dbraw/zinc/51/61/39/590516139.db2.gz SLPUQMFHKZVGIF-NXEZZACHSA-N 1 0 209.293 0.660 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCN(C(=O)NC)CC1 ZINC000878261488 590530259 /nfs/dbraw/zinc/53/02/59/590530259.db2.gz AQZCDQHTTNVLDW-JTQLQIEISA-N 1 0 211.309 0.908 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCN(C(=O)CO)CC1 ZINC000878305239 590539133 /nfs/dbraw/zinc/53/91/33/590539133.db2.gz VAFCFSGKVAJFCD-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2cc[nH]c(=O)c2)CC1 ZINC000878313938 590541112 /nfs/dbraw/zinc/54/11/12/590541112.db2.gz NKSZYWCRWAYHJG-UHFFFAOYSA-N 1 0 245.326 0.928 20 30 BCEDRO C=CC[C@H](C(=O)OC)N1CC[N@H+](C)[C@H](C)C1 ZINC000878317826 590544370 /nfs/dbraw/zinc/54/43/70/590544370.db2.gz WLCPCWJXVOZRJI-GHMZBOCLSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CC[C@H](C(=O)OC)N1CC[N@H+](C)[C@@H](C)C1 ZINC000878317951 590544392 /nfs/dbraw/zinc/54/43/92/590544392.db2.gz WLCPCWJXVOZRJI-WDEREUQCSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000878342839 590553146 /nfs/dbraw/zinc/55/31/46/590553146.db2.gz IXTFZIDYNMPZDI-VHSXEESVSA-N 1 0 232.349 0.704 20 30 BCEDRO C=CC[C@@H](C)[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000878397574 590559496 /nfs/dbraw/zinc/55/94/96/590559496.db2.gz WRURSYGWNXJNMS-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000878465286 590572979 /nfs/dbraw/zinc/57/29/79/590572979.db2.gz QTSAWNGXNNNDRR-NEPJUHHUSA-N 1 0 212.337 0.949 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000878500314 590580440 /nfs/dbraw/zinc/58/04/40/590580440.db2.gz DRPNAUJQYWMCKY-NEPJUHHUSA-N 1 0 211.305 0.463 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@H](O)CC(C)(C)O ZINC000878503670 590581399 /nfs/dbraw/zinc/58/13/99/590581399.db2.gz WBMLUJUQMMMYNF-LLVKDONJSA-N 1 0 231.336 0.643 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@H](O)CC1(O)CCOCC1 ZINC000878516951 590585240 /nfs/dbraw/zinc/58/52/40/590585240.db2.gz LXQYDOXAVRVTLG-VXGBXAGGSA-N 1 0 241.331 0.232 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000878622051 590597021 /nfs/dbraw/zinc/59/70/21/590597021.db2.gz RGNYWHDEEMJKAK-ZJUUUORDSA-N 1 0 240.303 0.301 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000878642247 590600082 /nfs/dbraw/zinc/60/00/82/590600082.db2.gz YKJWNLZFSYKQJC-VPOLOUISSA-N 1 0 225.288 0.274 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000878721157 590615799 /nfs/dbraw/zinc/61/57/99/590615799.db2.gz UHHZGQIWXOGKRL-UWVGGRQHSA-N 1 0 240.303 0.172 20 30 BCEDRO C[C@@H]1C[NH+](C[C@H](O)C2CC2)C[C@@H](C)N1CC#N ZINC000878772345 590621181 /nfs/dbraw/zinc/62/11/81/590621181.db2.gz LFEITQSJFNRZKV-WZRBSPASSA-N 1 0 237.347 0.675 20 30 BCEDRO C#C[C@@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000878844159 590628968 /nfs/dbraw/zinc/62/89/68/590628968.db2.gz RVGZDHXCNKLHPZ-SNVBAGLBSA-N 1 0 205.265 0.018 20 30 BCEDRO C#CCCCCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000878847403 590633054 /nfs/dbraw/zinc/63/30/54/590633054.db2.gz QQHXIZKBUUNZLV-GFCCVEGCSA-N 1 0 224.304 0.414 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)C1CC1)C1CSC1 ZINC000878910540 590643167 /nfs/dbraw/zinc/64/31/67/590643167.db2.gz PHJBOLQXRJFJFK-NSHDSACASA-N 1 0 211.330 0.808 20 30 BCEDRO C#CC[N@@H+](C[C@@H]1CNC(=O)C1)C1CSC1 ZINC000878909828 590647318 /nfs/dbraw/zinc/64/73/18/590647318.db2.gz CSYBYFJOAPEZJK-VIFPVBQESA-N 1 0 224.329 0.173 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H]1CCC2(CCOCC2)O1 ZINC000878995411 590672017 /nfs/dbraw/zinc/67/20/17/590672017.db2.gz QSBRNRRHEZVTCA-VXGBXAGGSA-N 1 0 241.331 0.851 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@@H]1CCc2ncnn21 ZINC000878997611 590672871 /nfs/dbraw/zinc/67/28/71/590672871.db2.gz BLEPAYZZUNZCGA-LBPRGKRZSA-N 1 0 248.330 0.737 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@@H](O)CC(C)(C)O ZINC000878999436 590674701 /nfs/dbraw/zinc/67/47/01/590674701.db2.gz MMIFCZSZWGYGSU-LBPRGKRZSA-N 1 0 243.347 0.480 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879042836 590685341 /nfs/dbraw/zinc/68/53/41/590685341.db2.gz XULHXHWFZAQWRQ-MNOVXSKESA-N 1 0 244.310 0.459 20 30 BCEDRO C#CCCCCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000879060297 590688195 /nfs/dbraw/zinc/68/81/95/590688195.db2.gz BWPFUOCQGFADLJ-LBPRGKRZSA-N 1 0 238.331 0.756 20 30 BCEDRO C#CCCC[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000879261221 590723998 /nfs/dbraw/zinc/72/39/98/590723998.db2.gz GWVGSFOIAWMZQI-NEPJUHHUSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCC[NH+]1CCC(CCO)(CCO)CC1 ZINC000879279309 590727131 /nfs/dbraw/zinc/72/71/31/590727131.db2.gz DMJWDGSEKWWOJM-UHFFFAOYSA-N 1 0 225.332 0.857 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@](O)(CC)C1 ZINC000879313977 590736759 /nfs/dbraw/zinc/73/67/59/590736759.db2.gz TVIAESHMWINJOR-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CC[N@H+]1CCCC[C@H]1CNC(=O)NC ZINC000879333059 590749439 /nfs/dbraw/zinc/74/94/39/590749439.db2.gz PRSOTPWYYRJFTQ-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000879363420 590754024 /nfs/dbraw/zinc/75/40/24/590754024.db2.gz UDOUJJIWYSBHAH-YNEHKIRRSA-N 1 0 243.347 0.379 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(C)(F)CC1 ZINC000879381145 590758143 /nfs/dbraw/zinc/75/81/43/590758143.db2.gz QBKTVFDOJHXYAH-UHFFFAOYSA-N 1 0 212.268 0.560 20 30 BCEDRO C#CCOCC[NH2+][C@@](C)(CC(=O)OC)C1CC1 ZINC000879443424 590771400 /nfs/dbraw/zinc/77/14/00/590771400.db2.gz MKIVIDWQUFEWRU-ZDUSSCGKSA-N 1 0 239.315 0.958 20 30 BCEDRO C=CC[N@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879479178 590777609 /nfs/dbraw/zinc/77/76/09/590777609.db2.gz GDYMFMVBVIWUMG-NSHDSACASA-N 1 0 224.260 0.566 20 30 BCEDRO C=CCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533112 590795146 /nfs/dbraw/zinc/79/51/46/590795146.db2.gz CNTBWZMUWGUEBS-DTORHVGOSA-N 1 0 208.261 0.109 20 30 BCEDRO CN1C(=O)[C@H]2C[N@@H+]([C@@H]3CC[C@H](C#N)C3)C[C@H]2C1=O ZINC000879535637 590796776 /nfs/dbraw/zinc/79/67/76/590796776.db2.gz QAHNLYSVNSWPJQ-ZRUFSTJUSA-N 1 0 247.298 0.225 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879569378 590806285 /nfs/dbraw/zinc/80/62/85/590806285.db2.gz OFRFPAQIGFRVPJ-YNEHKIRRSA-N 1 0 249.358 0.150 20 30 BCEDRO C#CCOCCN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879580317 590820696 /nfs/dbraw/zinc/82/06/96/590820696.db2.gz SINJYTYAYBRDIW-STQMWFEESA-N 1 0 222.332 0.662 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879616700 590832478 /nfs/dbraw/zinc/83/24/78/590832478.db2.gz ISWOAMHIDZEAHE-MNOVXSKESA-N 1 0 238.331 0.217 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879616701 590832635 /nfs/dbraw/zinc/83/26/35/590832635.db2.gz ISWOAMHIDZEAHE-QWRGUYRKSA-N 1 0 238.331 0.217 20 30 BCEDRO C=C(C)CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@@H]21 ZINC000879721132 590854838 /nfs/dbraw/zinc/85/48/38/590854838.db2.gz JWWFNSKGAIANDQ-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879940474 590891911 /nfs/dbraw/zinc/89/19/11/590891911.db2.gz OFFZAGSQPYRIGZ-VXGBXAGGSA-N 1 0 241.356 0.766 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879992736 590905202 /nfs/dbraw/zinc/90/52/02/590905202.db2.gz SHLUOJXTULTXRB-GHMZBOCLSA-N 1 0 239.319 0.109 20 30 BCEDRO N#CCCCN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880070860 590916079 /nfs/dbraw/zinc/91/60/79/590916079.db2.gz MWBNTJZRMYEGCQ-NWDGAFQWSA-N 1 0 223.320 0.431 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](C(C)(C)O)C1 ZINC000880149235 590945843 /nfs/dbraw/zinc/94/58/43/590945843.db2.gz YFDLBCMNACKQKL-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCC1(O)CC[NH+](CC(=O)NC2CC2)CC1 ZINC000880477294 591054874 /nfs/dbraw/zinc/05/48/74/591054874.db2.gz FCNXNPCMFPTGCO-UHFFFAOYSA-N 1 0 236.315 0.115 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000880482324 591055124 /nfs/dbraw/zinc/05/51/24/591055124.db2.gz FQHAZEZRMRAHBR-LBPRGKRZSA-N 1 0 223.316 0.608 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@H](COC)OC)CC1 ZINC000880482841 591055521 /nfs/dbraw/zinc/05/55/21/591055521.db2.gz SKZKCYQAIFYSGW-GFCCVEGCSA-N 1 0 241.331 0.498 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@H](C)OC)CC1 ZINC000880481167 591055619 /nfs/dbraw/zinc/05/56/19/591055619.db2.gz NIUDIIBTACYCJT-NSHDSACASA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@@H](O)C2CC2)CC1 ZINC000880482323 591055718 /nfs/dbraw/zinc/05/57/18/591055718.db2.gz FQHAZEZRMRAHBR-GFCCVEGCSA-N 1 0 223.316 0.608 20 30 BCEDRO CC(C)C(N)=[NH+]OCCC1OCCO1 ZINC000128454451 591068990 /nfs/dbraw/zinc/06/89/90/591068990.db2.gz XQWXIVYHCTUOPJ-UHFFFAOYSA-N 1 0 202.254 0.694 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC2(CC1)COCCO2 ZINC000880546634 591087514 /nfs/dbraw/zinc/08/75/14/591087514.db2.gz XEQINFMCYQKYKJ-LBPRGKRZSA-N 1 0 241.331 0.805 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC2(CC1)COCCO2 ZINC000880546633 591087641 /nfs/dbraw/zinc/08/76/41/591087641.db2.gz XEQINFMCYQKYKJ-GFCCVEGCSA-N 1 0 241.331 0.805 20 30 BCEDRO C=C(C)CC[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880565429 591093686 /nfs/dbraw/zinc/09/36/86/591093686.db2.gz DQGDYQYVJITVOV-NSHDSACASA-N 1 0 213.277 0.562 20 30 BCEDRO CC#CCC[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880567124 591096743 /nfs/dbraw/zinc/09/67/43/591096743.db2.gz WBYPMASWLWHBOU-LLVKDONJSA-N 1 0 211.261 0.010 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](O)CC2(CCOCC2)C1 ZINC000880583804 591099653 /nfs/dbraw/zinc/09/96/53/591099653.db2.gz BQIUIVGVKQIBGJ-LBPRGKRZSA-N 1 0 223.316 0.873 20 30 BCEDRO C[NH2+]C(C)(C)c1cn(CCO[C@H](C)C#N)nn1 ZINC000881323189 591190840 /nfs/dbraw/zinc/19/08/40/591190840.db2.gz CRJIMICBHKRIAY-SECBINFHSA-N 1 0 237.307 0.661 20 30 BCEDRO C=C(Cl)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000881426459 591203418 /nfs/dbraw/zinc/20/34/18/591203418.db2.gz IAOFAGZRWUDZIN-UHFFFAOYSA-N 1 0 241.726 0.436 20 30 BCEDRO C#CC1(F)CN(C(=O)CCCC[NH+](C)C)C1 ZINC000881943631 591282073 /nfs/dbraw/zinc/28/20/73/591282073.db2.gz HZLRWHUTJUSLOD-UHFFFAOYSA-N 1 0 226.295 0.902 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882486723 591363622 /nfs/dbraw/zinc/36/36/22/591363622.db2.gz VDHZOJZEDNAYAM-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCOCCC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882490073 591366621 /nfs/dbraw/zinc/36/66/21/591366621.db2.gz YAQZEBGNHPDPSN-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C[N@@H+](C)CCC ZINC000882894201 591466588 /nfs/dbraw/zinc/46/65/88/591466588.db2.gz KWEFVYDYSRTOAI-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C[N@@H+](C)C(C)C ZINC000882892783 591466766 /nfs/dbraw/zinc/46/67/66/591466766.db2.gz FWGGOLDOJXUCII-LLVKDONJSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000882894808 591468188 /nfs/dbraw/zinc/46/81/88/591468188.db2.gz YJCMXUMKXYIFMI-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000882902425 591471372 /nfs/dbraw/zinc/47/13/72/591471372.db2.gz GVIDEAQUPHCZRP-JTQLQIEISA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000882902819 591471913 /nfs/dbraw/zinc/47/19/13/591471913.db2.gz PKHGEWVBMQDCJZ-NSHDSACASA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000882903457 591472574 /nfs/dbraw/zinc/47/25/74/591472574.db2.gz CRDPWZWRAPZASA-ZJUUUORDSA-N 1 0 214.309 0.380 20 30 BCEDRO CCOC(=O)C[C@@H](C)CNC(=[NH2+])N(C)C ZINC000130986699 591539231 /nfs/dbraw/zinc/53/92/31/591539231.db2.gz IMTQRAUQLIYSDR-MRVPVSSYSA-N 1 0 215.297 0.452 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000883123639 591542514 /nfs/dbraw/zinc/54/25/14/591542514.db2.gz FTBSECBJTHMJBH-JTQLQIEISA-N 1 0 236.271 0.275 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(F)c1N ZINC000883125751 591544413 /nfs/dbraw/zinc/54/44/13/591544413.db2.gz SXRVMVVXEDTAMZ-JTQLQIEISA-N 1 0 222.263 0.882 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc([C@H](C)O)s1 ZINC000883125073 591544861 /nfs/dbraw/zinc/54/48/61/591544861.db2.gz YFLNEGLGSADEFD-IUCAKERBSA-N 1 0 240.328 0.670 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1[nH]ncc1C ZINC000883156944 591555276 /nfs/dbraw/zinc/55/52/76/591555276.db2.gz GZGHKVDDZUHAOQ-JTQLQIEISA-N 1 0 207.277 0.582 20 30 BCEDRO C#CC1(F)CN(C(=O)N[C@@H]2CCC[N@@H+](C)C2)C1 ZINC000883178311 591563410 /nfs/dbraw/zinc/56/34/10/591563410.db2.gz UKDGKOSEMTZEKC-SNVBAGLBSA-N 1 0 239.294 0.447 20 30 BCEDRO C#CCOCC[NH2+][C@H](COC)[C@H]1CCCOC1 ZINC000883216890 591575006 /nfs/dbraw/zinc/57/50/06/591575006.db2.gz XPHFIAPRLYIOKC-QWHCGFSZSA-N 1 0 241.331 0.667 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)CC(N)=O ZINC000883388731 591640467 /nfs/dbraw/zinc/64/04/67/591640467.db2.gz BFWCBUPKWTYTFE-BDAKNGLRSA-N 1 0 200.282 0.167 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cnnn1CC ZINC000883400645 591647701 /nfs/dbraw/zinc/64/77/01/591647701.db2.gz ROUIGLBXNOYYCR-SNVBAGLBSA-N 1 0 224.308 0.715 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1nccnc1OC ZINC000883400854 591648448 /nfs/dbraw/zinc/64/84/48/591648448.db2.gz WULBXQBPEFCDFC-JTQLQIEISA-N 1 0 237.303 0.902 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccnn1C ZINC000883401581 591649006 /nfs/dbraw/zinc/64/90/06/591649006.db2.gz REJLZIYGKDCFSC-JTQLQIEISA-N 1 0 209.293 0.837 20 30 BCEDRO CC[NH2+]CCNC(=O)Nc1cccc(CC#N)n1 ZINC000883587418 591695245 /nfs/dbraw/zinc/69/52/45/591695245.db2.gz IIGRNUIDNOFVEJ-UHFFFAOYSA-N 1 0 247.302 0.879 20 30 BCEDRO C[C@@H](C[NH3+])N(C)C(=O)Nc1cccc(CC#N)n1 ZINC000883587929 591695856 /nfs/dbraw/zinc/69/58/56/591695856.db2.gz WSRNBAPOTHOBDI-VIFPVBQESA-N 1 0 247.302 0.959 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000883581258 591695937 /nfs/dbraw/zinc/69/59/37/591695937.db2.gz TUDPBBOVHRHHAQ-SNVBAGLBSA-N 1 0 223.320 0.744 20 30 BCEDRO CN(CC[NH3+])C(=O)Nc1cccc(CC#N)n1 ZINC000883587514 591696037 /nfs/dbraw/zinc/69/60/37/591696037.db2.gz KEOMNZMZOVKXQU-UHFFFAOYSA-N 1 0 233.275 0.570 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)NC[C@@H](C)C#N ZINC000883601855 591699534 /nfs/dbraw/zinc/69/95/34/591699534.db2.gz HPFQNRGMTBGXFW-VHSXEESVSA-N 1 0 224.308 0.539 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCC1(C#N)CC1 ZINC000883668818 591714915 /nfs/dbraw/zinc/71/49/15/591714915.db2.gz MKPNMJYDCAJCBD-JTQLQIEISA-N 1 0 236.319 0.684 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C(F)F ZINC000883667766 591715202 /nfs/dbraw/zinc/71/52/02/591715202.db2.gz FDSVLQGKOMOWHH-VIFPVBQESA-N 1 0 247.289 0.894 20 30 BCEDRO C#CCOCCC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000132641521 591726736 /nfs/dbraw/zinc/72/67/36/591726736.db2.gz BZRFBJONEYOYNO-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO C[C@H](CCO)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000133057425 591761394 /nfs/dbraw/zinc/76/13/94/591761394.db2.gz LWQAJZGCEIVBDU-ZWNOBZJWSA-N 1 0 234.299 0.952 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883896330 591764928 /nfs/dbraw/zinc/76/49/28/591764928.db2.gz NMFDPUAAXNNCKF-WDEREUQCSA-N 1 0 241.335 0.317 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884018590 591801428 /nfs/dbraw/zinc/80/14/28/591801428.db2.gz YOGHMTUABJPEDR-MRVPVSSYSA-N 1 0 218.260 0.320 20 30 BCEDRO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[NH2+]1 ZINC000884031775 591814688 /nfs/dbraw/zinc/81/46/88/591814688.db2.gz ZMJFPCWGDNYILR-QMMMGPOBSA-N 1 0 218.260 0.320 20 30 BCEDRO CC(C)[C@@H]([NH3+])CNC(=O)c1ccc(C#N)[nH]1 ZINC000884034273 591816453 /nfs/dbraw/zinc/81/64/53/591816453.db2.gz AZMFGFDMPUPRDW-VIFPVBQESA-N 1 0 220.276 0.599 20 30 BCEDRO CN(CCC[NH3+])C(=O)c1ccc(C#N)[nH]1 ZINC000884035531 591817225 /nfs/dbraw/zinc/81/72/25/591817225.db2.gz AYBNTKXDAXCZQF-UHFFFAOYSA-N 1 0 206.249 0.307 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CCCN(CC#C)C1 ZINC000884147603 591863145 /nfs/dbraw/zinc/86/31/45/591863145.db2.gz NMOXKKRELGMPAN-LBPRGKRZSA-N 1 0 233.315 0.407 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1c[nH]cc1C1CC1 ZINC000884250726 591884193 /nfs/dbraw/zinc/88/41/93/591884193.db2.gz MGDKOJLGSPNWBN-SKDRFNHKSA-N 1 0 244.298 0.733 20 30 BCEDRO Cc1cnc(F)cc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000884249839 591884326 /nfs/dbraw/zinc/88/43/26/591884326.db2.gz SAPZQZJEXUEPHY-SCZZXKLOSA-N 1 0 248.261 0.371 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H]2CCC[NH2+]CC2)[nH]1 ZINC000884265681 591887991 /nfs/dbraw/zinc/88/79/91/591887991.db2.gz QJFUNAXHFYLMAJ-VIFPVBQESA-N 1 0 232.287 0.758 20 30 BCEDRO C=CCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884281776 591894037 /nfs/dbraw/zinc/89/40/37/591894037.db2.gz RNIXFCIZNOWXRX-QWKFWESOSA-N 1 0 233.315 0.770 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)[nH]1 ZINC000884293488 591896215 /nfs/dbraw/zinc/89/62/15/591896215.db2.gz DNVVCEPOMRDZRS-GXSJLCMTSA-N 1 0 244.298 0.710 20 30 BCEDRO CC(C)(C)[C@H](C[NH3+])NC(=O)c1ccc(C#N)[nH]1 ZINC000884338341 591905818 /nfs/dbraw/zinc/90/58/18/591905818.db2.gz FLKBCMWDQGQSQJ-JTQLQIEISA-N 1 0 234.303 0.990 20 30 BCEDRO C=CCOCC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884352949 591911098 /nfs/dbraw/zinc/91/10/98/591911098.db2.gz RSLWBDVZNZUEGF-BDAKNGLRSA-N 1 0 212.293 0.431 20 30 BCEDRO CC1(C)[C@H](NC(=O)c2ccc(C#N)[nH]2)C[C@@H]1[NH3+] ZINC000884365194 591917648 /nfs/dbraw/zinc/91/76/48/591917648.db2.gz FJVSGNOWRGJFPQ-VHSXEESVSA-N 1 0 232.287 0.742 20 30 BCEDRO C=CCOCCNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884414571 591928181 /nfs/dbraw/zinc/92/81/81/591928181.db2.gz WFIYJJKVDFEKHJ-NSHDSACASA-N 1 0 228.336 0.939 20 30 BCEDRO C/C=C\CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884439333 591933945 /nfs/dbraw/zinc/93/39/45/591933945.db2.gz BSEXYSNGYWAVDP-VSJAPWBYSA-N 1 0 233.315 0.818 20 30 BCEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)Nc1cc[nH]n1)C2 ZINC000884448326 591937135 /nfs/dbraw/zinc/93/71/35/591937135.db2.gz XQSAISIPXQFPOI-XEVUQIKYSA-N 1 0 245.286 0.488 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1ccc(C#N)[nH]1 ZINC000884458690 591941257 /nfs/dbraw/zinc/94/12/57/591941257.db2.gz LORFJKGUMCEHPO-YUMQZZPRSA-N 1 0 218.260 0.448 20 30 BCEDRO COCC[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000884461988 591942137 /nfs/dbraw/zinc/94/21/37/591942137.db2.gz SKLGNNPFHHITAX-VWYCJHECSA-N 1 0 239.319 0.501 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NCC(C)(C)CO ZINC000135062178 591980774 /nfs/dbraw/zinc/98/07/74/591980774.db2.gz NSQDPCOEEPASQH-UHFFFAOYSA-N 1 0 239.319 0.963 20 30 BCEDRO C[N@H+](CCO)CCNc1ccc(C#N)nc1 ZINC000884824714 592023006 /nfs/dbraw/zinc/02/30/06/592023006.db2.gz JVLJQXGKYJAOSA-UHFFFAOYSA-N 1 0 220.276 0.289 20 30 BCEDRO CN1CC[NH+](C[C@H](O)CC2(C#N)CCC2)CC1 ZINC000885946507 592113306 /nfs/dbraw/zinc/11/33/06/592113306.db2.gz KUICANUTLKNNAR-GFCCVEGCSA-N 1 0 237.347 0.679 20 30 BCEDRO C[C@H](O)C[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886021083 592133762 /nfs/dbraw/zinc/13/37/62/592133762.db2.gz OSHBJNJSTVSFMM-QWRGUYRKSA-N 1 0 226.320 0.744 20 30 BCEDRO C#CCC[NH+]1CCN(C[C@](C)(O)C(F)F)CC1 ZINC000886092108 592146749 /nfs/dbraw/zinc/14/67/49/592146749.db2.gz OGQCMJQEEREXPN-LBPRGKRZSA-N 1 0 246.301 0.643 20 30 BCEDRO Cc1n[nH]c(C[NH2+]CCn2cnc(C#N)n2)c1C ZINC000886114857 592156875 /nfs/dbraw/zinc/15/68/75/592156875.db2.gz ZCVQZEOYBBBRTE-UHFFFAOYSA-N 1 0 245.290 0.280 20 30 BCEDRO CC[N@@H+](CC(N)=O)C[C@@H](O)CC1(C#N)CCC1 ZINC000886166415 592167742 /nfs/dbraw/zinc/16/77/42/592167742.db2.gz HWGRPMWQLRRUQW-JTQLQIEISA-N 1 0 239.319 0.238 20 30 BCEDRO C[N@H+](CCC(N)=O)C[C@H](O)CC1(C#N)CCC1 ZINC000886204924 592175991 /nfs/dbraw/zinc/17/59/91/592175991.db2.gz UJUKSQDRUHSGAQ-SNVBAGLBSA-N 1 0 239.319 0.238 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000886212901 592177172 /nfs/dbraw/zinc/17/71/72/592177172.db2.gz HRGITGFBTJQOTN-CYBMUJFWSA-N 1 0 232.331 0.607 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cocn2)C1 ZINC000886211437 592177311 /nfs/dbraw/zinc/17/73/11/592177311.db2.gz PFRBFSZTSJOXBZ-LLVKDONJSA-N 1 0 219.288 0.862 20 30 BCEDRO N#Cc1csc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000886255730 592188532 /nfs/dbraw/zinc/18/85/32/592188532.db2.gz IAVGNWIABSQLCB-GUDFOSOFSA-N 1 0 238.312 0.594 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886336391 592211456 /nfs/dbraw/zinc/21/14/56/592211456.db2.gz QOONGKIQFURDDB-SDDRHHMPSA-N 1 0 235.331 0.946 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCCS(=O)(=O)NC)C1 ZINC000886357875 592215339 /nfs/dbraw/zinc/21/53/39/592215339.db2.gz MYHBXCIMNVMWOL-LLVKDONJSA-N 1 0 244.360 0.271 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)NCCOCC)C1 ZINC000886357375 592215930 /nfs/dbraw/zinc/21/59/30/592215930.db2.gz FYQWPHMONXGEMB-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000886356055 592216008 /nfs/dbraw/zinc/21/60/08/592216008.db2.gz SNDNBTXSYHUKSF-STQMWFEESA-N 1 0 233.315 0.589 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCS(=O)(=O)CC)C1 ZINC000886358460 592216795 /nfs/dbraw/zinc/21/67/95/592216795.db2.gz VFDRKUKPBBWSIV-NSHDSACASA-N 1 0 229.345 0.766 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@@H]2CON(CC)C2=O)C1 ZINC000886364384 592216920 /nfs/dbraw/zinc/21/69/20/592216920.db2.gz YFVXUXFKUGLHKT-GHMZBOCLSA-N 1 0 222.288 0.494 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000886358426 592217120 /nfs/dbraw/zinc/21/71/20/592217120.db2.gz USFYAKXIAJCKOZ-SNVBAGLBSA-N 1 0 230.333 0.010 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)COCCOC)C1 ZINC000886365373 592217580 /nfs/dbraw/zinc/21/75/80/592217580.db2.gz HCAKAWXBNKJLOU-STQMWFEESA-N 1 0 241.331 0.356 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)CC(C)(C)O)C1 ZINC000886365198 592219398 /nfs/dbraw/zinc/21/93/98/592219398.db2.gz BYAQYYJLYVEMPX-NWDGAFQWSA-N 1 0 225.332 0.854 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](C)S(C)(=O)=O)C1 ZINC000886365225 592219815 /nfs/dbraw/zinc/21/98/15/592219815.db2.gz CVPRRWHRYXYROT-GHMZBOCLSA-N 1 0 229.345 0.765 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000886481799 592231620 /nfs/dbraw/zinc/23/16/20/592231620.db2.gz FJHOMLIOUZOCRT-GMTAPVOTSA-N 1 0 227.304 0.949 20 30 BCEDRO 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240.347 0.916 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cscn2)C1 ZINC001010375702 635462479 /nfs/dbraw/zinc/46/24/79/635462479.db2.gz JRAODKNUJPBUBO-JTQLQIEISA-N 1 0 249.339 0.971 20 30 BCEDRO C=CCC[N@@H+]1CCCN(C(=O)c2nc[nH]n2)CC1 ZINC000982276233 635515896 /nfs/dbraw/zinc/51/58/96/635515896.db2.gz YXDYBMNSKYMJIC-UHFFFAOYSA-N 1 0 249.318 0.529 20 30 BCEDRO C=C(C)C[N@@H+]1CCCN(C(=O)c2nc[nH]n2)CC1 ZINC000982276202 635516955 /nfs/dbraw/zinc/51/69/55/635516955.db2.gz XTTJCFWEHDPGBU-UHFFFAOYSA-N 1 0 249.318 0.529 20 30 BCEDRO C#CCC1([NH2+]CC(=O)NCCOCC)CCC1 ZINC000933299327 631215721 /nfs/dbraw/zinc/21/57/21/631215721.db2.gz SJDLLWMPLXLTEE-UHFFFAOYSA-N 1 0 238.331 0.675 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]ccc2C)C1 ZINC001022033633 631274897 /nfs/dbraw/zinc/27/48/97/631274897.db2.gz ZRLXHNCYSQQFOG-PHIMTYICSA-N 1 0 231.299 0.807 20 30 BCEDRO COCC[N@H+](C)CCNc1cc(C#N)nc(C)n1 ZINC000308334338 631292653 /nfs/dbraw/zinc/29/26/53/631292653.db2.gz MWHFYSWWSPLDSO-UHFFFAOYSA-N 1 0 249.318 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20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cncs2)C1 ZINC001028431137 635670553 /nfs/dbraw/zinc/67/05/53/635670553.db2.gz MMTADFVJYVJRAW-JTQLQIEISA-N 1 0 249.339 0.828 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001028441196 635675801 /nfs/dbraw/zinc/67/58/01/635675801.db2.gz IONCJXBGFSOWNV-LLVKDONJSA-N 1 0 246.314 0.403 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](C)[C@H]1CO ZINC000308791548 631647794 /nfs/dbraw/zinc/64/77/94/631647794.db2.gz INIBAWMWIYNCMO-GMTAPVOTSA-N 1 0 212.293 0.618 20 30 BCEDRO C=CCCC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000926322281 631665104 /nfs/dbraw/zinc/66/51/04/631665104.db2.gz FOCOIJLYANLDKR-LLVKDONJSA-N 1 0 238.331 0.837 20 30 BCEDRO C#C[C@@H]([NH2+]CC1OCCO1)[C@H]1CCCO1 ZINC000308803177 631667455 /nfs/dbraw/zinc/66/74/55/631667455.db2.gz ABFIIYZNZRRWSA-NXEZZACHSA-N 1 0 211.261 0.130 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC001022561538 631692781 /nfs/dbraw/zinc/69/27/81/631692781.db2.gz PQDMEBIADSPDCV-PHIMTYICSA-N 1 0 246.314 0.212 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2C[C@H]2C)C1 ZINC001022657863 631742141 /nfs/dbraw/zinc/74/21/41/631742141.db2.gz VKXZEYDUVRJWBZ-KKOKHZNYSA-N 1 0 220.316 0.903 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC000972104411 631780627 /nfs/dbraw/zinc/78/06/27/631780627.db2.gz KSLKAXQZYTWGTI-SRVKXCTJSA-N 1 0 220.316 0.808 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@H]1CCOC12CCOCC2 ZINC000934401172 631826060 /nfs/dbraw/zinc/82/60/60/631826060.db2.gz BTVKNNZSWHYPBJ-NEPJUHHUSA-N 1 0 241.331 0.851 20 30 BCEDRO C#CC1(O)CN(CC[NH+]2CCCCC2)C1 ZINC000934446723 631840458 /nfs/dbraw/zinc/84/04/58/631840458.db2.gz HZDBBIIFBSZBNH-UHFFFAOYSA-N 1 0 208.305 0.152 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCN1C(=O)N[C@H](C)C1=O ZINC000934460555 631847299 /nfs/dbraw/zinc/84/72/99/631847299.db2.gz QIIVSKVTLSACPF-ZJUUUORDSA-N 1 0 237.303 0.577 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@@H](O)C1(O)CCC1 ZINC000934459065 631847460 /nfs/dbraw/zinc/84/74/60/631847460.db2.gz ABKWCKQDXOQGCN-WDEREUQCSA-N 1 0 211.305 0.913 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@@](C)(O)C(=O)OCC ZINC000934460530 631848467 /nfs/dbraw/zinc/84/84/67/631848467.db2.gz JVRJZHFIAQSRIB-CMPLNLGQSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+]1CCN1C(=O)CCC1=O ZINC000934461436 631856208 /nfs/dbraw/zinc/85/62/08/631856208.db2.gz RDQAQEDXXIMMKM-SNVBAGLBSA-N 1 0 222.288 0.786 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCNS(=O)(=O)CC ZINC000934468802 631862123 /nfs/dbraw/zinc/86/21/23/631862123.db2.gz JVCOMGAMZPIGQM-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000934471583 631864190 /nfs/dbraw/zinc/86/41/90/631864190.db2.gz UYVNLSDARNSMKJ-NWDGAFQWSA-N 1 0 221.304 0.894 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CC(=O)NCCCOC ZINC000934472587 631866961 /nfs/dbraw/zinc/86/69/61/631866961.db2.gz OGTIMQSKBCSKTD-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CC(=O)NC(=O)NC ZINC000934472368 631867041 /nfs/dbraw/zinc/86/70/41/631867041.db2.gz MQTDZWYENHTHCI-QMMMGPOBSA-N 1 0 211.265 0.092 20 30 BCEDRO C=CC[C@H]1CC[N@@H+]1CC(=O)NCCC#N ZINC000934472777 631867288 /nfs/dbraw/zinc/86/72/88/631867288.db2.gz UQCFAONPZLRPHH-JTQLQIEISA-N 1 0 207.277 0.667 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2conc2C)C1 ZINC000972206199 631871943 /nfs/dbraw/zinc/87/19/43/631871943.db2.gz HISDIYXTMGNEPN-LLVKDONJSA-N 1 0 247.298 0.763 20 30 BCEDRO C#C[C@H]([NH2+]CC1(C)COC1)[C@@H]1CCCO1 ZINC000309117064 631888645 /nfs/dbraw/zinc/88/86/45/631888645.db2.gz LZFXCXRKIOLYJV-QWRGUYRKSA-N 1 0 209.289 0.793 20 30 BCEDRO C#C[C@@H]1CCCC[N@@H+]1CCn1cncn1 ZINC000934512063 631895202 /nfs/dbraw/zinc/89/52/02/631895202.db2.gz YPGZBYBVMIUKTH-LLVKDONJSA-N 1 0 204.277 0.766 20 30 BCEDRO C=CCC1(O)CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000924434056 631958460 /nfs/dbraw/zinc/95/84/60/631958460.db2.gz BVDCCLLDFAWUDB-UHFFFAOYSA-N 1 0 249.314 0.882 20 30 BCEDRO C#C[C@H](C)[NH2+]C1CCN(C(=O)OC)CC1 ZINC000309243864 631980118 /nfs/dbraw/zinc/98/01/18/631980118.db2.gz YSYNBDPIHGOWJC-VIFPVBQESA-N 1 0 210.277 0.829 20 30 BCEDRO C#C[C@@H](C)[NH2+]C1CCN(C(=O)OC)CC1 ZINC000309243860 631980511 /nfs/dbraw/zinc/98/05/11/631980511.db2.gz YSYNBDPIHGOWJC-SECBINFHSA-N 1 0 210.277 0.829 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccncn2)C1 ZINC001022868086 632010360 /nfs/dbraw/zinc/01/03/60/632010360.db2.gz SAVMCZFBDGQBEF-PHIMTYICSA-N 1 0 246.314 0.903 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cccnn2)C1 ZINC001022877647 632020671 /nfs/dbraw/zinc/02/06/71/632020671.db2.gz BZZDUIRUTKMSTK-PHIMTYICSA-N 1 0 246.314 0.903 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000972415523 632024927 /nfs/dbraw/zinc/02/49/27/632024927.db2.gz PTBXXAXTCYUEDP-GFCCVEGCSA-N 1 0 244.298 0.256 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC001028482516 635693627 /nfs/dbraw/zinc/69/36/27/635693627.db2.gz MZRSYADHONAICQ-NSHDSACASA-N 1 0 248.330 0.658 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2ncn(C)n2)C1 ZINC001028510238 635712057 /nfs/dbraw/zinc/71/20/57/635712057.db2.gz DXMIBYOVIDKPDQ-JTQLQIEISA-N 1 0 249.318 0.053 20 30 BCEDRO COCCC[N@H+](C)CCNC(=O)NCCC#N ZINC000426435900 635718918 /nfs/dbraw/zinc/71/89/18/635718918.db2.gz FVDRIIOOGABKGI-UHFFFAOYSA-N 1 0 242.323 0.168 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2cn(C)nn2)C1 ZINC001028517159 635719329 /nfs/dbraw/zinc/71/93/29/635719329.db2.gz CCYYOCUIEYMEKH-SNVBAGLBSA-N 1 0 249.318 0.053 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926488859 632127735 /nfs/dbraw/zinc/12/77/35/632127735.db2.gz AUJVTNOAXWCFLS-NSHDSACASA-N 1 0 237.347 0.056 20 30 BCEDRO C#CCNC(=O)CN1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000156373714 632130807 /nfs/dbraw/zinc/13/08/07/632130807.db2.gz UVCBHJZLLOWTPD-OLZOCXBDSA-N 1 0 249.358 0.152 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001028530200 635723469 /nfs/dbraw/zinc/72/34/69/635723469.db2.gz QKANSZCKUUMAEA-LLVKDONJSA-N 1 0 246.314 0.485 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001028553281 635727321 /nfs/dbraw/zinc/72/73/21/635727321.db2.gz GRLFWYJKDWRHBL-OBJOEFQTSA-N 1 0 248.326 0.094 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](CNC(=O)c2cnco2)C1 ZINC001028720708 635807538 /nfs/dbraw/zinc/80/75/38/635807538.db2.gz ILYNYVVAUUCVDR-LLVKDONJSA-N 1 0 247.298 0.750 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](CNC(=O)c2cnco2)C1 ZINC001028721138 635807771 /nfs/dbraw/zinc/80/77/71/635807771.db2.gz OPTNSKGGKJEHRI-LLVKDONJSA-N 1 0 247.298 0.750 20 30 BCEDRO C#CCNC(=O)CN1CCC[N@@H+](CC)C[C@@H]1C ZINC000319744612 635810837 /nfs/dbraw/zinc/81/08/37/635810837.db2.gz ACXCOPLACDQNLH-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001023114402 632394035 /nfs/dbraw/zinc/39/40/35/632394035.db2.gz GJEQMADMBFMQRO-TXEJJXNPSA-N 1 0 233.315 0.980 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001023158635 632403361 /nfs/dbraw/zinc/40/33/61/632403361.db2.gz AMLCYDSVCLPFDG-PHIMTYICSA-N 1 0 234.303 0.306 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001023362240 632451001 /nfs/dbraw/zinc/45/10/01/632451001.db2.gz MRXJXMZDYWQNSK-LLVKDONJSA-N 1 0 246.314 0.485 20 30 BCEDRO C=C(Br)CNC(=O)C[C@H](C)[NH3+] ZINC000158033475 632455993 /nfs/dbraw/zinc/45/59/93/632455993.db2.gz VLFXOQQGWATJJM-LURJTMIESA-N 1 0 221.098 0.749 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cnnn1C ZINC000926544592 632472004 /nfs/dbraw/zinc/47/20/04/632472004.db2.gz CPJPURAEYDNDIE-UWVGGRQHSA-N 1 0 224.308 0.793 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C#N)cn1 ZINC000309543228 632480790 /nfs/dbraw/zinc/48/07/90/632480790.db2.gz GGMXKUTZKYZNFR-QMMMGPOBSA-N 1 0 218.260 0.307 20 30 BCEDRO COCC#CC[NH2+]C(C)(C)CC(=O)OC ZINC000308945507 632565155 /nfs/dbraw/zinc/56/51/55/632565155.db2.gz NOJZAVAJFCICHY-UHFFFAOYSA-N 1 0 213.277 0.568 20 30 BCEDRO CNC(=O)[C@@H]([NH2+]CCO[C@H](C)C#N)C(C)C ZINC000309640019 632597710 /nfs/dbraw/zinc/59/77/10/632597710.db2.gz KNPKIXCEFFEZHE-ZJUUUORDSA-N 1 0 227.308 0.275 20 30 BCEDRO C#C[C@H]([NH2+]CC(OC)OC)[C@H]1CCCO1 ZINC000308969481 632600175 /nfs/dbraw/zinc/60/01/75/632600175.db2.gz YESNRVIBKCKLEF-VHSXEESVSA-N 1 0 213.277 0.376 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H]2CCOC2)CC1 ZINC000179209349 632601609 /nfs/dbraw/zinc/60/16/09/632601609.db2.gz WWYFTBLZHYSNLR-GFCCVEGCSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCCC[NH2+][C@@H]1CCN(CCOC)C1 ZINC000309037310 632621975 /nfs/dbraw/zinc/62/19/75/632621975.db2.gz IYVQJZSPRALBPU-GFCCVEGCSA-N 1 0 210.321 0.710 20 30 BCEDRO C[C@@H](CC#N)N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000309056094 632631010 /nfs/dbraw/zinc/63/10/10/632631010.db2.gz COWXHBCUNLZFFY-RYUDHWBXSA-N 1 0 225.336 0.677 20 30 BCEDRO C#CC[N@@H+]1C[C@@H](NC(=O)C2CC2)C(C)(C)C1 ZINC000972721338 632646993 /nfs/dbraw/zinc/64/69/93/632646993.db2.gz NAIXHMZSXIVMEW-LLVKDONJSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](NC(C)=O)C(C)(C)C1 ZINC000972722220 632648656 /nfs/dbraw/zinc/64/86/56/632648656.db2.gz SJIXYVYYADRMLK-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000309748466 632664173 /nfs/dbraw/zinc/66/41/73/632664173.db2.gz YPXNSMVDAMCNON-GMTAPVOTSA-N 1 0 226.320 0.738 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926612056 632666433 /nfs/dbraw/zinc/66/64/33/632666433.db2.gz WTUNPDAZFKKLKB-GARJFASQSA-N 1 0 238.331 0.692 20 30 BCEDRO C#CCCCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000176970893 632673604 /nfs/dbraw/zinc/67/36/04/632673604.db2.gz JYLJCCNQYYTRGX-LLVKDONJSA-N 1 0 223.320 0.873 20 30 BCEDRO N#C[C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310486207 632748724 /nfs/dbraw/zinc/74/87/24/632748724.db2.gz GHGJHVHRXLUWSY-CHWSQXEVSA-N 1 0 237.347 0.679 20 30 BCEDRO C#CCCCNC(=[NH2+])NCCCOCC ZINC000177308303 632804525 /nfs/dbraw/zinc/80/45/25/632804525.db2.gz SJHTWQYGBPMZOR-UHFFFAOYSA-N 1 0 211.309 0.731 20 30 BCEDRO CC[NH+](CC)C[C@H](C)NC(=O)NCC#CCO ZINC000923779667 632817738 /nfs/dbraw/zinc/81/77/38/632817738.db2.gz CRLUARPMTZTZPC-NSHDSACASA-N 1 0 241.335 0.012 20 30 BCEDRO CCNC(NC[C@@](C)(O)CC)=[NH+]CC ZINC000066245959 632859412 /nfs/dbraw/zinc/85/94/12/632859412.db2.gz BCTYWFPGNPPXHU-JTQLQIEISA-N 1 0 201.314 0.722 20 30 BCEDRO C=CCCC[C@H](NC(=O)C[NH+](C)C)C(=O)OC ZINC000928314496 635858647 /nfs/dbraw/zinc/85/86/47/635858647.db2.gz SIOVZZWPHFBPTP-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO C=CCCC[C@@H](NC(=O)C[NH+](C)C)C(=O)OC ZINC000928314497 635859101 /nfs/dbraw/zinc/85/91/01/635859101.db2.gz SIOVZZWPHFBPTP-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+]CCCCO)cc1 ZINC000236497783 632951165 /nfs/dbraw/zinc/95/11/65/632951165.db2.gz UTKLANVYDJSVFW-CYBMUJFWSA-N 1 0 234.299 0.954 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892567066 632977711 /nfs/dbraw/zinc/97/77/11/632977711.db2.gz PPCUIJDLEGFNOT-MGCOHNPYSA-N 1 0 238.335 0.915 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928427604 635905996 /nfs/dbraw/zinc/90/59/96/635905996.db2.gz KDWZSCIJTADEMA-NEPJUHHUSA-N 1 0 239.363 0.703 20 30 BCEDRO CCNC(NCCNC(=O)C1CC1)=[NH+]CC ZINC000303260567 633081278 /nfs/dbraw/zinc/08/12/78/633081278.db2.gz NLHIRYDNKZKZKT-UHFFFAOYSA-N 1 0 226.324 0.088 20 30 BCEDRO C#CCCCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000309468297 633112445 /nfs/dbraw/zinc/11/24/45/633112445.db2.gz TYHHWBRHNXTQJV-CYBMUJFWSA-N 1 0 224.348 0.835 20 30 BCEDRO CN(C)C(=[NH2+])NCCc1ccc2c(c1)OCCO2 ZINC000170905895 633176104 /nfs/dbraw/zinc/17/61/04/633176104.db2.gz AZGNTOAOKUEHFU-UHFFFAOYSA-N 1 0 249.314 0.877 20 30 BCEDRO [NH2+]=C(NCC1CCOCC1)N1CCOCC1 ZINC000170904711 633176972 /nfs/dbraw/zinc/17/69/72/633176972.db2.gz AQDIKTPKXKJOAL-UHFFFAOYSA-N 1 0 227.308 0.060 20 30 BCEDRO COC(=O)c1ccc(CCNC(=[NH2+])N(C)C)cc1 ZINC000170909971 633176992 /nfs/dbraw/zinc/17/69/92/633176992.db2.gz NOAGUVBVXVLEMN-UHFFFAOYSA-N 1 0 249.314 0.892 20 30 BCEDRO C[C@H](CC#N)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928430316 635913891 /nfs/dbraw/zinc/91/38/91/635913891.db2.gz VWGRTUBDKGVXON-UTLUCORTSA-N 1 0 209.293 0.745 20 30 BCEDRO C=C(Br)CNC(=O)[C@H](C)[NH+](C)C ZINC000308177533 633188495 /nfs/dbraw/zinc/18/84/95/633188495.db2.gz ZVPQGUULTWVRPN-ZETCQYMHSA-N 1 0 235.125 0.961 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@@H]1CCCOC1 ZINC000327959598 633199363 /nfs/dbraw/zinc/19/93/63/633199363.db2.gz CETYLVJXKOYBBQ-ZDUSSCGKSA-N 1 0 224.348 0.958 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H]1SCC ZINC000309670695 633221668 /nfs/dbraw/zinc/22/16/68/633221668.db2.gz VVWVHGRFNPUITG-QWRGUYRKSA-N 1 0 240.372 1.000 20 30 BCEDRO C[C@H]1[C@H](NC(=O)c2cc(C#N)ccn2)CC[N@@H+]1C ZINC000928433373 635926787 /nfs/dbraw/zinc/92/67/87/635926787.db2.gz DMGKEAKPZNKPRA-GXSJLCMTSA-N 1 0 244.298 0.776 20 30 BCEDRO COCCCCCNC(=[NH2+])NCCOC ZINC000303260810 635927188 /nfs/dbraw/zinc/92/71/88/635927188.db2.gz NNZTWISXVPWTKM-UHFFFAOYSA-N 1 0 217.313 0.354 20 30 BCEDRO CC[NH+]=C(NCC(=O)N(C)C)NC(C)(C)C ZINC000303493126 635929752 /nfs/dbraw/zinc/92/97/52/635929752.db2.gz ZGHIUWDNNOOGHX-UHFFFAOYSA-N 1 0 228.340 0.428 20 30 BCEDRO C[C@H](C#N)OCCN1CCC[C@H]([NH+](C)C)C1 ZINC000304198548 635937339 /nfs/dbraw/zinc/93/73/39/635937339.db2.gz BSLMRXNBKHBSHK-NEPJUHHUSA-N 1 0 225.336 0.941 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCCS1(=O)=O ZINC000305061697 635948583 /nfs/dbraw/zinc/94/85/83/635948583.db2.gz GLAXOHIAUQVNKN-SECBINFHSA-N 1 0 245.348 0.044 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H](O)CC#N)CCS1 ZINC000307492831 635989000 /nfs/dbraw/zinc/98/90/00/635989000.db2.gz ZKDSEWUHHKECHJ-RKDXNWHRSA-N 1 0 200.307 0.698 20 30 BCEDRO C=CCOCCn1cc(C[NH2+]C(C)C)nn1 ZINC000052598970 636026414 /nfs/dbraw/zinc/02/64/14/636026414.db2.gz FVWAGTGTLZMMLC-UHFFFAOYSA-N 1 0 224.308 0.979 20 30 BCEDRO CC/[NH+]=C(/N(C)C)N1CCN(C(C)=O)CC1 ZINC000429015862 636049548 /nfs/dbraw/zinc/04/95/48/636049548.db2.gz FJUCWUWMCDBHCY-QXMHVHEDSA-N 1 0 226.324 0.088 20 30 BCEDRO C#CCCCNC(=O)N(C)CCC[NH+](C)C ZINC000186328061 636075207 /nfs/dbraw/zinc/07/52/07/636075207.db2.gz WVRRJYGMENZTLJ-UHFFFAOYSA-N 1 0 225.336 0.993 20 30 BCEDRO CO[C@@](C)(C[NH2+][C@H]1CCCN(O)C1=O)C1CC1 ZINC000895157423 636099696 /nfs/dbraw/zinc/09/96/96/636099696.db2.gz CHWBKGIJZYLFCU-JQWIXIFHSA-N 1 0 242.319 0.771 20 30 BCEDRO CC1(C)C[C@H]([NH2+][C@H]2CCCN(O)C2=O)CCO1 ZINC000895157872 636100271 /nfs/dbraw/zinc/10/02/71/636100271.db2.gz TUSQNDUNZQCTAW-ZJUUUORDSA-N 1 0 242.319 0.914 20 30 BCEDRO C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@@H]1CCCCO1 ZINC000895158162 636101325 /nfs/dbraw/zinc/10/13/25/636101325.db2.gz XODNPFUEKRVTFB-DCAQKATOSA-N 1 0 242.319 0.914 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)CS1 ZINC000895158451 636101678 /nfs/dbraw/zinc/10/16/78/636101678.db2.gz IXDSOIUMSJJESC-HRDYMLBCSA-N 1 0 230.333 0.850 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@H](O)C[N@@H+](C)C(C)C ZINC000852162579 633727388 /nfs/dbraw/zinc/72/73/88/633727388.db2.gz NGVSKZGOIYUFMF-CHWSQXEVSA-N 1 0 240.347 0.022 20 30 BCEDRO CCOCC[N@H+](C)CCO[C@H](C)C#N ZINC000308544337 633750874 /nfs/dbraw/zinc/75/08/74/633750874.db2.gz NNFBSEVNCDICLU-SNVBAGLBSA-N 1 0 200.282 0.883 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1cn(C(C)C)nn1 ZINC000328273792 633754133 /nfs/dbraw/zinc/75/41/33/633754133.db2.gz ODDAOKLDFGEYCJ-UHFFFAOYSA-N 1 0 249.362 0.904 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCO[C@H](C)C1 ZINC000309811996 633765176 /nfs/dbraw/zinc/76/51/76/633765176.db2.gz ULKYBCZGEQEXCH-MNOVXSKESA-N 1 0 247.360 0.744 20 30 BCEDRO C=CCOCCN[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000328573973 633779969 /nfs/dbraw/zinc/77/99/69/633779969.db2.gz WKXFXUPGYNICDM-NWBUJAPZSA-N 1 0 222.332 0.775 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@H](C)C1 ZINC001025823749 633780554 /nfs/dbraw/zinc/78/05/54/633780554.db2.gz CITXUUKCZRYRSO-KVSVUVNWSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CO[C@@H](C)C1 ZINC001025823748 633781636 /nfs/dbraw/zinc/78/16/36/633781636.db2.gz CITXUUKCZRYRSO-JZRPKSSGSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CCOCC2)C1 ZINC001019923152 633801542 /nfs/dbraw/zinc/80/15/42/633801542.db2.gz IHHDLJRYKNZEKM-HAQNSBGRSA-N 1 0 236.315 0.283 20 30 BCEDRO COCCNC(=[NH2+])NC[C@]1(C)CCCO1 ZINC000176165662 633807599 /nfs/dbraw/zinc/80/75/99/633807599.db2.gz BYDXIMZMUWUPRF-JTQLQIEISA-N 1 0 215.297 0.106 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnnc(C)c2)C1 ZINC001020105273 633810089 /nfs/dbraw/zinc/81/00/89/633810089.db2.gz VLDHNBFFKPAFJB-HAQNSBGRSA-N 1 0 244.298 0.269 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)C(C)C)[C@H]1CCCO1 ZINC000308961212 633837433 /nfs/dbraw/zinc/83/74/33/633837433.db2.gz ZJAKKVZWTPPGJC-QJPTWQEYSA-N 1 0 211.305 0.774 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)CC)C[C@H]12 ZINC001026160113 633860525 /nfs/dbraw/zinc/86/05/25/633860525.db2.gz VZSYEQKFUIBJEN-GRYCIOLGSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)COC)C[C@@H]21 ZINC001026159729 633864989 /nfs/dbraw/zinc/86/49/89/633864989.db2.gz OPMGERFPHLRKRY-SDDRHHMPSA-N 1 0 238.331 0.645 20 30 BCEDRO CN(C(=[NH2+])NC[C@H]1CCCOC1)C1CC1 ZINC000181466881 633917524 /nfs/dbraw/zinc/91/75/24/633917524.db2.gz UQQOPSZOYMBEAQ-SECBINFHSA-N 1 0 211.309 0.822 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000309465421 633923658 /nfs/dbraw/zinc/92/36/58/633923658.db2.gz PTSDKWZWQNNGPD-MNOVXSKESA-N 1 0 247.360 0.744 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000895490060 636151142 /nfs/dbraw/zinc/15/11/42/636151142.db2.gz KUJCXZSCGPILEU-QJPTWQEYSA-N 1 0 227.304 0.012 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c(C)ccnc1N ZINC000895490407 636151508 /nfs/dbraw/zinc/15/15/08/636151508.db2.gz NYYRFPFJBXUREW-SNVBAGLBSA-N 1 0 219.288 0.446 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000895490059 636151582 /nfs/dbraw/zinc/15/15/82/636151582.db2.gz KUJCXZSCGPILEU-IJLUTSLNSA-N 1 0 227.304 0.012 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000895489997 636151740 /nfs/dbraw/zinc/15/17/40/636151740.db2.gz JATYJWPJTBRHIV-OUAUKWLOSA-N 1 0 225.288 0.302 20 30 BCEDRO C#CCNC(=O)C[NH+]1C[C@H]2CCCC[C@@H]2C1 ZINC000309890025 634037297 /nfs/dbraw/zinc/03/72/97/634037297.db2.gz DGULKLBPQITBKZ-VXGBXAGGSA-N 1 0 220.316 0.858 20 30 BCEDRO COC/C(C)=C/C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000930818742 634116094 /nfs/dbraw/zinc/11/60/94/634116094.db2.gz MXJKUAFLWGFTDI-NDZKXSSTSA-N 1 0 224.304 0.930 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cnc(F)cc1C ZINC000893318759 634175288 /nfs/dbraw/zinc/17/52/88/634175288.db2.gz OVXGOPOXOXPPOP-UHFFFAOYSA-N 1 0 237.278 0.921 20 30 BCEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1CC(=O)NCCC#N ZINC000931044409 634199733 /nfs/dbraw/zinc/19/97/33/634199733.db2.gz ASVBSDGVIDPASL-QWRGUYRKSA-N 1 0 238.335 0.041 20 30 BCEDRO C#CC[NH2+]CC(=O)N1C[C@H](C)OC[C@@H]1CC ZINC000082344012 634201577 /nfs/dbraw/zinc/20/15/77/634201577.db2.gz AOZQPBZBGRKREH-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CC[NH2+]C1CCC(NC(=O)c2cnco2)CC1 ZINC001026537133 634204472 /nfs/dbraw/zinc/20/44/72/634204472.db2.gz NGFRHHLHCGGSTP-UHFFFAOYSA-N 1 0 247.298 0.938 20 30 BCEDRO CC[NH2+]C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001026780568 634349915 /nfs/dbraw/zinc/34/99/15/634349915.db2.gz JSAAFTOSXHGQAT-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO CC[NH2+]C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001026780567 634351125 /nfs/dbraw/zinc/35/11/25/634351125.db2.gz JSAAFTOSXHGQAT-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO C=CCNC(=[NH2+])NCC(=O)Nc1ccccc1 ZINC000195522933 634363755 /nfs/dbraw/zinc/36/37/55/634363755.db2.gz RHGSGJIGPXUFOB-UHFFFAOYSA-N 1 0 232.287 0.715 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cccnc1 ZINC001027709321 635121926 /nfs/dbraw/zinc/12/19/26/635121926.db2.gz PQXITSFAQWIAIQ-CYBMUJFWSA-N 1 0 243.310 0.909 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001027766014 635139319 /nfs/dbraw/zinc/13/93/19/635139319.db2.gz PYNORYVJASDLGY-SNVBAGLBSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001027764414 635139688 /nfs/dbraw/zinc/13/96/88/635139688.db2.gz YHZQGUUIFZVCQV-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)C1=COCCC1 ZINC001027787116 635152712 /nfs/dbraw/zinc/15/27/12/635152712.db2.gz GBANDEXJFGOBJB-CYBMUJFWSA-N 1 0 248.326 0.895 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)[C@H](C)OC)CC1 ZINC000980786828 635275672 /nfs/dbraw/zinc/27/56/72/635275672.db2.gz YVFFQUUBIPYASI-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C=CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000981187847 635323319 /nfs/dbraw/zinc/32/33/19/635323319.db2.gz RHBBHPUPWAVPPZ-ZJUUUORDSA-N 1 0 249.318 0.621 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCC[C@@H](NC(=O)C(N)=O)C1 ZINC000981304361 635356397 /nfs/dbraw/zinc/35/63/97/635356397.db2.gz QSTKGMUIHQTMIH-VHSXEESVSA-N 1 0 239.319 0.065 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cnon2)C1 ZINC000981399806 635361096 /nfs/dbraw/zinc/36/10/96/635361096.db2.gz VOSXXTKNXALWJQ-UWVGGRQHSA-N 1 0 248.286 0.333 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cnon2)C1 ZINC000981399807 635362580 /nfs/dbraw/zinc/36/25/80/635362580.db2.gz VOSXXTKNXALWJQ-VHSXEESVSA-N 1 0 248.286 0.333 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)nn2C)C1 ZINC001010341407 635382625 /nfs/dbraw/zinc/38/26/25/635382625.db2.gz DLKJXXXGKLCFRG-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010362759 635424530 /nfs/dbraw/zinc/42/45/30/635424530.db2.gz WRHGHCSGYAKIRH-NWDGAFQWSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccoc2)C1 ZINC001028407191 635667524 /nfs/dbraw/zinc/66/75/24/635667524.db2.gz MTFWLSWFZSYEJF-NSHDSACASA-N 1 0 232.283 0.965 20 30 BCEDRO C=CC[NH+]1CC[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC001028527712 635720990 /nfs/dbraw/zinc/72/09/90/635720990.db2.gz ULPKENSJUWNPQU-NSHDSACASA-N 1 0 248.330 0.956 20 30 BCEDRO C#CC[NH+]1CC[C@@H](CNC(=O)[C@H]2CC2(F)F)C1 ZINC001028528427 635721462 /nfs/dbraw/zinc/72/14/62/635721462.db2.gz JYSKEQHORWQAOH-VHSXEESVSA-N 1 0 242.269 0.713 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001028727460 635808575 /nfs/dbraw/zinc/80/85/75/635808575.db2.gz SXZGDLPONJBFKW-NSHDSACASA-N 1 0 248.330 0.956 20 30 BCEDRO CC/[NH+]=C(/N(C)C)N1CC[C@H](COC)C1 ZINC000429097082 636059191 /nfs/dbraw/zinc/05/91/91/636059191.db2.gz BJQHOGLXEHUVJZ-OQDIYGIBSA-N 1 0 213.325 0.892 20 30 BCEDRO Cn1cncc1CNC(=[NH2+])NCC1CCC1 ZINC000262298123 636220689 /nfs/dbraw/zinc/22/06/89/636220689.db2.gz MWRJPLXLBHEUKK-UHFFFAOYSA-N 1 0 221.308 0.625 20 30 BCEDRO C=CC[N@@H+](C)C1CCN(C(=O)COC)CC1 ZINC000985189341 636261219 /nfs/dbraw/zinc/26/12/19/636261219.db2.gz LUDCYTJPBXMCIA-UHFFFAOYSA-N 1 0 226.320 0.742 20 30 BCEDRO C#CC[N@@H+](C)C1CCN(C(=O)CSC)CC1 ZINC000985244354 636267051 /nfs/dbraw/zinc/26/70/51/636267051.db2.gz ACFWJIIUNFPSFW-UHFFFAOYSA-N 1 0 240.372 0.905 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)Cn2cccn2)CC1 ZINC000928659518 636276560 /nfs/dbraw/zinc/27/65/60/636276560.db2.gz PIJZCDKKHJZTJE-UHFFFAOYSA-N 1 0 246.314 0.097 20 30 BCEDRO C#CC[N@@H+](C)C1CCN(C(=O)c2ncc[nH]2)CC1 ZINC000985422041 636299548 /nfs/dbraw/zinc/29/95/48/636299548.db2.gz WIPMDOXPEPILRB-UHFFFAOYSA-N 1 0 246.314 0.579 20 30 BCEDRO CCNC(NCCCN1CCCC1=O)=[NH+]CC ZINC000303257554 636303858 /nfs/dbraw/zinc/30/38/58/636303858.db2.gz JNLAYCHDMHFWEL-UHFFFAOYSA-N 1 0 240.351 0.574 20 30 BCEDRO CNC(=[NH2+])NCc1cccnc1N(C)C ZINC000303265581 636305808 /nfs/dbraw/zinc/30/58/08/636305808.db2.gz VAEMAZXRECQGEL-UHFFFAOYSA-N 1 0 207.281 0.182 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(C(=O)NC)cc1 ZINC000303260491 636305880 /nfs/dbraw/zinc/30/58/80/636305880.db2.gz NHLXBJWWNWUPOF-UHFFFAOYSA-N 1 0 220.276 0.080 20 30 BCEDRO C[C@@H]([NH2+]C[C@@H](O)CO)c1ccc(C#N)cc1 ZINC000088288539 636306315 /nfs/dbraw/zinc/30/63/15/636306315.db2.gz WULDSIXQGQUPDN-BXKDBHETSA-N 1 0 220.272 0.562 20 30 BCEDRO CNC(NCc1cc(C#N)ccc1F)=[NH+]C ZINC000304313740 636323144 /nfs/dbraw/zinc/32/31/44/636323144.db2.gz NXTDRVDYEIUZFV-UHFFFAOYSA-N 1 0 220.251 0.992 20 30 BCEDRO CNC(=O)c1cccc(CCNC(NC)=[NH+]C)c1 ZINC000304392904 636323323 /nfs/dbraw/zinc/32/33/23/636323323.db2.gz UXEPARZBDKAESF-UHFFFAOYSA-N 1 0 248.330 0.384 20 30 BCEDRO CCOCCCNC(=[NH2+])NCCCF ZINC000305184002 636326682 /nfs/dbraw/zinc/32/66/82/636326682.db2.gz WUGSHUPRRAXUAV-UHFFFAOYSA-N 1 0 205.277 0.677 20 30 BCEDRO COCCNC(=[NH2+])NCC[C@@H]1CCCCO1 ZINC000305878456 636336531 /nfs/dbraw/zinc/33/65/31/636336531.db2.gz SOLGYIAXHFFWTG-JTQLQIEISA-N 1 0 229.324 0.496 20 30 BCEDRO C[C@H](C(=O)N[C@H](CC#N)C(F)(F)F)[NH+](C)C ZINC000928799517 636364501 /nfs/dbraw/zinc/36/45/01/636364501.db2.gz CXUMXKOXCNJYJX-RNFRBKRXSA-N 1 0 237.225 0.897 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CC)CCC(N)=O ZINC000928821291 636387209 /nfs/dbraw/zinc/38/72/09/636387209.db2.gz OMNZLHXOSVMQRI-UHFFFAOYSA-N 1 0 241.335 0.218 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000320782745 636405329 /nfs/dbraw/zinc/40/53/29/636405329.db2.gz RPCZTEYKEIBUCG-SDDRHHMPSA-N 1 0 240.347 0.960 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cnccc1OC ZINC000262642085 636415266 /nfs/dbraw/zinc/41/52/66/636415266.db2.gz LDQQMTURHRTXEC-UHFFFAOYSA-N 1 0 220.276 0.681 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)COC)[C@H]1C ZINC000985834881 636426081 /nfs/dbraw/zinc/42/60/81/636426081.db2.gz WWBLKLFOSHGCBB-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CCC2)[C@H]1C ZINC000985850441 636431677 /nfs/dbraw/zinc/43/16/77/636431677.db2.gz UNOWCLCNPBIELC-JQWIXIFHSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnccn2)[C@@H]1C ZINC000985913510 636451868 /nfs/dbraw/zinc/45/18/68/636451868.db2.gz ANLDCJQGGRUKKB-MNOVXSKESA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CSC)[C@H]1C ZINC000985945191 636455896 /nfs/dbraw/zinc/45/58/96/636455896.db2.gz VHVNHFLICXLLLQ-UWVGGRQHSA-N 1 0 226.345 0.562 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(C)C)[C@@H]1C ZINC000985996607 636462909 /nfs/dbraw/zinc/46/29/09/636462909.db2.gz KPPGSWFCUFKOOG-GHMZBOCLSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cccn2C)[C@H]1C ZINC000986001798 636465556 /nfs/dbraw/zinc/46/55/56/636465556.db2.gz LEGPPULMPIPFDI-RYUDHWBXSA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2ccon2)[C@H]1C ZINC000986058580 636483010 /nfs/dbraw/zinc/48/30/10/636483010.db2.gz UEMBTDFLDWGHKN-CMPLNLGQSA-N 1 0 247.298 0.429 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cscn2)[C@H]1C ZINC000986070839 636486388 /nfs/dbraw/zinc/48/63/88/636486388.db2.gz UNDJFLHEFOJOOK-UWVGGRQHSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1C ZINC000986087245 636495437 /nfs/dbraw/zinc/49/54/37/636495437.db2.gz XIGZNQCHRQLXEN-JQWIXIFHSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1C ZINC000986087543 636497958 /nfs/dbraw/zinc/49/79/58/636497958.db2.gz YSQKEYQKCXMLAF-ZYHUDNBSSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ocnc2C)[C@@H]1C ZINC000986109488 636509048 /nfs/dbraw/zinc/50/90/48/636509048.db2.gz RZJXWYRWTOGZTM-GHMZBOCLSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(C)(C)O)[C@H]1C ZINC000986210013 636545787 /nfs/dbraw/zinc/54/57/87/636545787.db2.gz FOFZNDKODKMDTO-WDEREUQCSA-N 1 0 240.347 0.912 20 30 BCEDRO C#CCCC[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000872203669 636574992 /nfs/dbraw/zinc/57/49/92/636574992.db2.gz MIFKWBHDXNWICI-STQMWFEESA-N 1 0 225.332 0.901 20 30 BCEDRO N#Cc1ccc(NCC[NH2+]Cc2cn[nH]c2)nc1 ZINC000897397462 636577653 /nfs/dbraw/zinc/57/76/53/636577653.db2.gz YOUPIKLFJBMTBC-UHFFFAOYSA-N 1 0 242.286 0.878 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2conc2C)[C@H]1C ZINC000986792139 636584638 /nfs/dbraw/zinc/58/46/38/636584638.db2.gz GIRNDRONAKRMPE-CMPLNLGQSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCN(CCOC)C1 ZINC000393761843 636601276 /nfs/dbraw/zinc/60/12/76/636601276.db2.gz XQRGPOCWCUEENU-GFCCVEGCSA-N 1 0 228.336 0.499 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1C ZINC000987069306 636621927 /nfs/dbraw/zinc/62/19/27/636621927.db2.gz PLYQIIPSSHUSCD-ZYHUDNBSSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nccs2)[C@@H]1C ZINC000987231859 636642428 /nfs/dbraw/zinc/64/24/28/636642428.db2.gz YFEYPLMCJYEHJA-ZJUUUORDSA-N 1 0 249.339 0.969 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cccnn2)[C@@H]1C ZINC000987233718 636643455 /nfs/dbraw/zinc/64/34/55/636643455.db2.gz HFRJLMHLRFJHAY-GHMZBOCLSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@H]1C ZINC000987262024 636644030 /nfs/dbraw/zinc/64/40/30/636644030.db2.gz SWXCTBIRURHFIY-QWRGUYRKSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2ncc[nH]2)[C@@H]1C ZINC000987262970 636644995 /nfs/dbraw/zinc/64/49/95/636644995.db2.gz XBWCWBZXSGQEBD-GHMZBOCLSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2oncc2C)[C@H]1C ZINC000987295654 636646858 /nfs/dbraw/zinc/64/68/58/636646858.db2.gz WCQRHZIIUSUGQY-WDEREUQCSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1C ZINC000987606298 636654690 /nfs/dbraw/zinc/65/46/90/636654690.db2.gz WFSMVAJEHOZNIC-VXGBXAGGSA-N 1 0 248.330 0.648 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2CCC2)C1 ZINC000987717937 636665008 /nfs/dbraw/zinc/66/50/08/636665008.db2.gz UEWFWAIFIRCEEN-CMPLNLGQSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CC2CC2)C1 ZINC000987750541 636666656 /nfs/dbraw/zinc/66/66/56/636666656.db2.gz FOZOWSJEPLIAJN-CMPLNLGQSA-N 1 0 220.316 0.999 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(C)c2)C1 ZINC000987980450 636674427 /nfs/dbraw/zinc/67/44/27/636674427.db2.gz DPVAPMVNYGZPDQ-CMPLNLGQSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C)no2)C1 ZINC000988045759 636677689 /nfs/dbraw/zinc/67/76/89/636677689.db2.gz KBIPXUZPDWGFIC-GHMZBOCLSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cccn2)C1 ZINC000988081202 636678372 /nfs/dbraw/zinc/67/83/72/636678372.db2.gz SAEVHOGMWHOFDY-NWDGAFQWSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C)n[nH]2)C1 ZINC000988253266 636683568 /nfs/dbraw/zinc/68/35/68/636683568.db2.gz ZWSWKXPRMNSYBD-GHMZBOCLSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2=COCCC2)C1 ZINC000988306589 636687039 /nfs/dbraw/zinc/68/70/39/636687039.db2.gz VCIAZACCYFIFLL-AAEUAGOBSA-N 1 0 248.326 0.893 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C)n2)C1 ZINC000988371964 636698826 /nfs/dbraw/zinc/69/88/26/636698826.db2.gz YSVRFCYWPNFUAU-MWLCHTKSSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C2=CCOCC2)C1 ZINC000988688456 636760471 /nfs/dbraw/zinc/76/04/71/636760471.db2.gz CQSPJVHWQLAYGU-WCQYABFASA-N 1 0 248.326 0.545 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ncc[nH]2)C1 ZINC000988803785 636786985 /nfs/dbraw/zinc/78/69/85/636786985.db2.gz OUTMEGQBNGKDRN-UWVGGRQHSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ncc[nH]2)C1 ZINC000988803790 636787363 /nfs/dbraw/zinc/78/73/63/636787363.db2.gz OUTMEGQBNGKDRN-VHSXEESVSA-N 1 0 232.287 0.236 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cn[nH]n2)C1 ZINC000989092148 636796691 /nfs/dbraw/zinc/79/66/91/636796691.db2.gz JPMXPAHCSCGMPQ-RKDXNWHRSA-N 1 0 235.291 0.183 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2n[nH]nc2C)C1 ZINC000989284471 636813367 /nfs/dbraw/zinc/81/33/67/636813367.db2.gz UDEKGUHWTIZALQ-PSASIEDQSA-N 1 0 249.318 0.492 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnon2)C1 ZINC000989575339 636863372 /nfs/dbraw/zinc/86/33/72/636863372.db2.gz JBDURZRVTNFRPC-DTWKUNHWSA-N 1 0 236.275 0.448 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccncn2)C1 ZINC000989565882 636863526 /nfs/dbraw/zinc/86/35/26/636863526.db2.gz OBGOWBVAUNTGQO-GHMZBOCLSA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ncccn2)C1 ZINC000989587719 636864695 /nfs/dbraw/zinc/86/46/95/636864695.db2.gz SXQDCVYEIDNCFF-GHMZBOCLSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001014405727 636865044 /nfs/dbraw/zinc/86/50/44/636865044.db2.gz JERFUGKTJPQVEJ-LBPRGKRZSA-N 1 0 248.330 0.339 20 30 BCEDRO C#CC[NH2+]CC(=O)N1C[C@H](C)OC[C@H]1CC ZINC000082344010 636868977 /nfs/dbraw/zinc/86/89/77/636868977.db2.gz AOZQPBZBGRKREH-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2nnc[nH]2)C1 ZINC000989658289 636871084 /nfs/dbraw/zinc/87/10/84/636871084.db2.gz VSUIQPFPPOKCNG-UWVGGRQHSA-N 1 0 249.318 0.112 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cncn2)C1 ZINC000989752251 636879727 /nfs/dbraw/zinc/87/97/27/636879727.db2.gz LQFYDAJSEWULTH-QWRGUYRKSA-N 1 0 249.318 0.043 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2[nH]cnc2C)C1 ZINC000989864737 636884149 /nfs/dbraw/zinc/88/41/49/636884149.db2.gz WDJGNJUCPGRKKC-ONGXEEELSA-N 1 0 246.314 0.544 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)[C@H](C)OC)CC1 ZINC000990101779 636916512 /nfs/dbraw/zinc/91/65/12/636916512.db2.gz AARWBKNCCVQAPV-JTQLQIEISA-N 1 0 226.320 0.788 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000990129093 636921884 /nfs/dbraw/zinc/92/18/84/636921884.db2.gz UYAREWTUAJDBDO-NSHDSACASA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H](CC)OC)CC1 ZINC000990185242 636922936 /nfs/dbraw/zinc/92/29/36/636922936.db2.gz UNOVXIUGKDRVEP-GFCCVEGCSA-N 1 0 238.331 0.625 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000990261411 636925105 /nfs/dbraw/zinc/92/51/05/636925105.db2.gz FNZKWUHNQMVNEU-SNVBAGLBSA-N 1 0 221.304 0.913 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925332503 636932307 /nfs/dbraw/zinc/93/23/07/636932307.db2.gz WDOVIVNEAMEUSP-LPEHRKFASA-N 1 0 211.309 0.953 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927028225 636999091 /nfs/dbraw/zinc/99/90/91/636999091.db2.gz WJAXXQDJIBJLTN-NXEZZACHSA-N 1 0 235.349 0.336 20 30 BCEDRO C#CCN(CC)C(=O)c1ccnn1CC[NH+](C)C ZINC000900353267 637178473 /nfs/dbraw/zinc/17/84/73/637178473.db2.gz MBNNBOCOKBYVAW-UHFFFAOYSA-N 1 0 248.330 0.540 20 30 BCEDRO CN(CCC#N)C(=O)c1ccnn1CC[NH+](C)C ZINC000900355840 637180021 /nfs/dbraw/zinc/18/00/21/637180021.db2.gz CGFWYIKJNUONGF-UHFFFAOYSA-N 1 0 249.318 0.430 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@](C)(O)C1 ZINC000900950883 637210439 /nfs/dbraw/zinc/21/04/39/637210439.db2.gz DGDNRMMKKFLKRN-LBPRGKRZSA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCn1cc(CN2CCC([NH3+])CC2)nn1 ZINC000905057290 637593900 /nfs/dbraw/zinc/59/39/00/637593900.db2.gz RVBAQEOSGNQBRD-UHFFFAOYSA-N 1 0 221.308 0.387 20 30 BCEDRO C#CCSCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905133370 637644276 /nfs/dbraw/zinc/64/42/76/637644276.db2.gz LKHUZQPQCVOUFT-JTQLQIEISA-N 1 0 229.345 0.218 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NC(C)C)CC1 ZINC000905146472 637656079 /nfs/dbraw/zinc/65/60/79/637656079.db2.gz YBVVZERPFINKOW-UHFFFAOYSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NCC=C)CC1 ZINC000905146763 637657059 /nfs/dbraw/zinc/65/70/59/637657059.db2.gz YVVDMPPVSLCSSU-UHFFFAOYSA-N 1 0 221.304 0.569 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905170663 637681460 /nfs/dbraw/zinc/68/14/60/637681460.db2.gz RPFUFSSLHUZPDH-LLVKDONJSA-N 1 0 229.320 0.445 20 30 BCEDRO N#CC1(C[NH2+]C[C@@H](O)C2(O)CCC2)CC1 ZINC000905244366 637704305 /nfs/dbraw/zinc/70/43/05/637704305.db2.gz QFYFJVACVSGCQY-SECBINFHSA-N 1 0 210.277 0.156 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)C1(O)CCC1)C(C)C ZINC000905245871 637704819 /nfs/dbraw/zinc/70/48/19/637704819.db2.gz XWZSCYHTZKVXSJ-MNOVXSKESA-N 1 0 211.305 0.510 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)C[C@]1(O)CCOC1)C(C)C ZINC000905242162 637726900 /nfs/dbraw/zinc/72/69/00/637726900.db2.gz ADMLPWWLSGRVJN-FRRDWIJNSA-N 1 0 241.331 0.136 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905351751 637771018 /nfs/dbraw/zinc/77/10/18/637771018.db2.gz BLRRQJPMEKWFRC-RYUDHWBXSA-N 1 0 243.347 0.569 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905356159 637774832 /nfs/dbraw/zinc/77/48/32/637774832.db2.gz DAOYYODOTYGQLZ-NWDGAFQWSA-N 1 0 241.331 0.016 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905366562 637789319 /nfs/dbraw/zinc/78/93/19/637789319.db2.gz PDZNYVVSAXWLJF-NWDGAFQWSA-N 1 0 243.347 0.427 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905400002 637795715 /nfs/dbraw/zinc/79/57/15/637795715.db2.gz QUOGCZVUFMPXID-VXGBXAGGSA-N 1 0 241.331 0.280 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]CCC(=O)N(C)OC ZINC000905452946 637810020 /nfs/dbraw/zinc/81/00/20/637810020.db2.gz PMGCIMWRRURLQL-JTQLQIEISA-N 1 0 230.308 0.313 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C[C@H](O)C2CC2)C1 ZINC000905459214 637823028 /nfs/dbraw/zinc/82/30/28/637823028.db2.gz FXAZYXWHYCCGRK-OLZOCXBDSA-N 1 0 222.332 0.445 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C[C@H](O)CSC)C1 ZINC000905461247 637824654 /nfs/dbraw/zinc/82/46/54/637824654.db2.gz PKGSVOBDMXRMTI-RYUDHWBXSA-N 1 0 242.388 0.398 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]CC2(O)CCC2)C1 ZINC000905460816 637824738 /nfs/dbraw/zinc/82/47/38/637824738.db2.gz NRAIJQPFAVUVPJ-LBPRGKRZSA-N 1 0 222.332 0.589 20 30 BCEDRO CN1CC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000905546253 637840716 /nfs/dbraw/zinc/84/07/16/637840716.db2.gz KXXXXDARYHUHSC-WDEREUQCSA-N 1 0 225.336 0.581 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000668463806 637845794 /nfs/dbraw/zinc/84/57/94/637845794.db2.gz ZDCIEWJNSFGIRM-ZYHUDNBSSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=S)NCC[NH+](C)C ZINC000905561170 637846755 /nfs/dbraw/zinc/84/67/55/637846755.db2.gz DOZDYMPGALNCHP-JTQLQIEISA-N 1 0 245.392 0.339 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000905648514 637868406 /nfs/dbraw/zinc/86/84/06/637868406.db2.gz ISNRJANGDMAKKB-RKDXNWHRSA-N 1 0 211.334 0.176 20 30 BCEDRO C=CCNC(=S)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000905650525 637870467 /nfs/dbraw/zinc/87/04/67/637870467.db2.gz QZIGIXOMSJYBQW-DTWKUNHWSA-N 1 0 213.350 0.729 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H]2CCC[C@H]21 ZINC000905667916 637876795 /nfs/dbraw/zinc/87/67/95/637876795.db2.gz SCSMREPTGNATCV-IJLUTSLNSA-N 1 0 220.316 0.904 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C2CC(CCO)C2)CC1 ZINC000905670916 637885208 /nfs/dbraw/zinc/88/52/08/637885208.db2.gz LQXGYWQJYSSAGG-MCIGGMRASA-N 1 0 238.331 0.792 20 30 BCEDRO C=CC[C@@H](NC[C@@H]1CC[N@H+]1CC)C(=O)OC ZINC000905802976 637933955 /nfs/dbraw/zinc/93/39/55/637933955.db2.gz AQIOERTVSHGFTR-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc(C[NH2+]C(C)C)nn1 ZINC000905802462 637934947 /nfs/dbraw/zinc/93/49/47/637934947.db2.gz HLPWEVDMPRWYNE-JTQLQIEISA-N 1 0 238.291 0.676 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NN1CCCC1=O ZINC000907252516 638333654 /nfs/dbraw/zinc/33/36/54/638333654.db2.gz IACRQHFWTVEZNW-UHFFFAOYSA-N 1 0 225.292 0.148 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](COC)OC ZINC000907283454 638341897 /nfs/dbraw/zinc/34/18/97/638341897.db2.gz ICSHXKADJZPFBL-NSHDSACASA-N 1 0 244.335 0.272 20 30 BCEDRO C=C(C)CNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907520931 638396502 /nfs/dbraw/zinc/39/65/02/638396502.db2.gz MNAURFZTWDIDGD-GFCCVEGCSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C(C)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907520476 638403031 /nfs/dbraw/zinc/40/30/31/638403031.db2.gz DARYYCJZJNALCU-MWLCHTKSSA-N 1 0 212.293 0.134 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907718952 638458061 /nfs/dbraw/zinc/45/80/61/638458061.db2.gz VAZHFSXAVZQHIZ-LBPRGKRZSA-N 1 0 237.347 0.008 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)c1ccnn1CC[NH+](C)C ZINC000907773264 638466046 /nfs/dbraw/zinc/46/60/46/638466046.db2.gz DYNKHQLHPJBWAW-NSHDSACASA-N 1 0 248.330 0.538 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907773197 638466261 /nfs/dbraw/zinc/46/62/61/638466261.db2.gz BRDCEXIBNXPXEP-WCQYABFASA-N 1 0 238.331 0.313 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C(=C)CC[NH+](C)C ZINC000907772939 638466795 /nfs/dbraw/zinc/46/67/95/638466795.db2.gz BURKSXNWUVCGGI-NSHDSACASA-N 1 0 208.305 0.974 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H](C)C(=O)OC ZINC000907931769 638506674 /nfs/dbraw/zinc/50/66/74/638506674.db2.gz FBZZPTLRONNJPC-JTQLQIEISA-N 1 0 242.319 0.514 20 30 BCEDRO N#CC1(CNC(=O)C23CC[NH+](CC2)C3)CC1 ZINC000907940517 638515873 /nfs/dbraw/zinc/51/58/73/638515873.db2.gz SRZFNINTGZPUSH-UHFFFAOYSA-N 1 0 219.288 0.502 20 30 BCEDRO C#C[C@H](NC(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C)C(C)C ZINC000907965531 638528650 /nfs/dbraw/zinc/52/86/50/638528650.db2.gz FYXUNVRLIPBGEX-MDZLAQPJSA-N 1 0 238.331 0.216 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@](C)(C[NH3+])C(C)C ZINC000711064946 711455855 /nfs/dbraw/zinc/45/58/55/711455855.db2.gz JMUVAXHQGQRXBZ-JTQLQIEISA-N 1 0 234.365 0.855 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)C1(CO)CC1 ZINC000908157219 638576421 /nfs/dbraw/zinc/57/64/21/638576421.db2.gz WBERAKMAQHTPPL-UHFFFAOYSA-N 1 0 226.320 0.478 20 30 BCEDRO C[C@@H](CC#N)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908208347 638613264 /nfs/dbraw/zinc/61/32/64/638613264.db2.gz PIVDWZANUWCCSD-WDEREUQCSA-N 1 0 239.319 0.109 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CF)C(=O)OC ZINC000908210803 638614231 /nfs/dbraw/zinc/61/42/31/638614231.db2.gz DOFXJHUTTRHHCX-VIFPVBQESA-N 1 0 246.282 0.122 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1cn(C)nn1 ZINC000908320601 638643040 /nfs/dbraw/zinc/64/30/40/638643040.db2.gz FTYRAJUJTYTSFU-UHFFFAOYSA-N 1 0 223.280 0.262 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOCCOC(C)C ZINC000908328820 638665993 /nfs/dbraw/zinc/66/59/93/638665993.db2.gz PABXKBLCLGSJIB-UHFFFAOYSA-N 1 0 244.335 0.967 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]1COC ZINC000908408919 638700444 /nfs/dbraw/zinc/70/04/44/638700444.db2.gz PKJNNASBDMAQSN-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CCF ZINC000908435916 638713528 /nfs/dbraw/zinc/71/35/28/638713528.db2.gz LNDSUDLLQUCXLM-UHFFFAOYSA-N 1 0 200.257 0.417 20 30 BCEDRO C#CC1(O)CC[NH+](CCOC2CC2)CC1 ZINC000711671618 711465184 /nfs/dbraw/zinc/46/51/84/711465184.db2.gz QWUMSEACUYJEOH-UHFFFAOYSA-N 1 0 209.289 0.626 20 30 BCEDRO C#C[C@@H](CO)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000908620727 639037593 /nfs/dbraw/zinc/03/75/93/639037593.db2.gz RWYFRVKYKMQFJY-NSHDSACASA-N 1 0 238.331 0.361 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000908622212 639037867 /nfs/dbraw/zinc/03/78/67/639037867.db2.gz UDRVAYJSFFFRGL-GRYCIOLGSA-N 1 0 236.315 0.114 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(OC)CC1 ZINC000909286860 639197275 /nfs/dbraw/zinc/19/72/75/639197275.db2.gz OJOTVZPBRHKYLK-UHFFFAOYSA-N 1 0 241.335 0.200 20 30 BCEDRO CC(C)(C(=O)N[C@@H](C#N)CO)[NH+]1CCCCC1 ZINC000909306736 639201262 /nfs/dbraw/zinc/20/12/62/639201262.db2.gz WPBUOVDAUPPPHX-JTQLQIEISA-N 1 0 239.319 0.252 20 30 BCEDRO CC(C)(C(=O)N[C@H](C#N)CO)[NH+]1CCCCC1 ZINC000909306738 639201915 /nfs/dbraw/zinc/20/19/15/639201915.db2.gz WPBUOVDAUPPPHX-SNVBAGLBSA-N 1 0 239.319 0.252 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[N@@H+](CC)C[C@@H]1C ZINC000910270113 639398751 /nfs/dbraw/zinc/39/87/51/639398751.db2.gz KAERRKUNAMCYNK-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccncc2)C1 ZINC000930266207 639669460 /nfs/dbraw/zinc/66/94/60/639669460.db2.gz JLSYCCOTEQCMQM-DGCLKSJQSA-N 1 0 247.298 0.809 20 30 BCEDRO N#Cc1cscc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911652333 639710738 /nfs/dbraw/zinc/71/07/38/639710738.db2.gz NNRLQGZXNQXCIW-MRVPVSSYSA-N 1 0 221.285 0.793 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[NH2+]CC1 ZINC000911656248 639713173 /nfs/dbraw/zinc/71/31/73/639713173.db2.gz LWIHAYQIONUKAP-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCCC[NH2+]C ZINC000911676815 639717803 /nfs/dbraw/zinc/71/78/03/639717803.db2.gz LHWKCSWEUNETHV-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000911695293 639731323 /nfs/dbraw/zinc/73/13/23/639731323.db2.gz KESPRONNENRZKX-VWYCJHECSA-N 1 0 224.304 0.446 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713895 639740083 /nfs/dbraw/zinc/74/00/83/639740083.db2.gz MFGGRFYKNBMBAW-GXSJLCMTSA-N 1 0 212.293 0.182 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000911719687 639742104 /nfs/dbraw/zinc/74/21/04/639742104.db2.gz NLUGXZXACPBOQD-UMNHJUIQSA-N 1 0 226.320 0.428 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000911719686 639743509 /nfs/dbraw/zinc/74/35/09/639743509.db2.gz NLUGXZXACPBOQD-SCVCMEIPSA-N 1 0 226.320 0.428 20 30 BCEDRO CO[C@@H]1[C@H]2C[C@H]3C[N@H+](C[C@H](O)CC#N)[C@H]1[C@H]3C2 ZINC000930453529 639754638 /nfs/dbraw/zinc/75/46/38/639754638.db2.gz QEHGUCHRMYHYEK-DIURFFJMSA-N 1 0 236.315 0.616 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@H](C[NH3+])C1 ZINC000911739098 639764808 /nfs/dbraw/zinc/76/48/08/639764808.db2.gz PVDDMROCAADYBK-WOPDTQHZSA-N 1 0 238.331 0.775 20 30 BCEDRO N#Cc1cscc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000911738892 639765481 /nfs/dbraw/zinc/76/54/81/639765481.db2.gz NNRLQGZXNQXCIW-QMMMGPOBSA-N 1 0 221.285 0.793 20 30 BCEDRO C[N@H+](Cc1cncc(C#N)c1)C1(CO)CC1 ZINC000930464691 639769363 /nfs/dbraw/zinc/76/93/63/639769363.db2.gz HLDNAIWMMLVSDF-UHFFFAOYSA-N 1 0 217.272 0.910 20 30 BCEDRO C#CC[N@H+](Cc1ccccc1)C[C@@H](O)CO ZINC000930475399 639770757 /nfs/dbraw/zinc/77/07/57/639770757.db2.gz FXBVGHLJLCWTKP-CYBMUJFWSA-N 1 0 219.284 0.475 20 30 BCEDRO C[NH2+]CCNC(=O)c1cc(C#N)ccc1C ZINC000911748067 639772716 /nfs/dbraw/zinc/77/27/16/639772716.db2.gz JEHUYELUXUJHTD-UHFFFAOYSA-N 1 0 217.272 0.816 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[NH2+]C ZINC000911748414 639773563 /nfs/dbraw/zinc/77/35/63/639773563.db2.gz MQAVUUIGHYTZCZ-NXEZZACHSA-N 1 0 212.293 0.303 20 30 BCEDRO CC[C@@H](C)[N@H+](CCO)C[C@H](O)CC#N ZINC000930489212 639778737 /nfs/dbraw/zinc/77/87/37/639778737.db2.gz PCOJZFUFEBRUGQ-NXEZZACHSA-N 1 0 200.282 0.354 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000930525402 639795982 /nfs/dbraw/zinc/79/59/82/639795982.db2.gz UKFCCBBKTCZMFX-MNOVXSKESA-N 1 0 212.293 0.402 20 30 BCEDRO CC[N@@H+](C[C@H](O)CC#N)C[C@H](C)OC ZINC000930541162 639807374 /nfs/dbraw/zinc/80/73/74/639807374.db2.gz VFBOJAVGMDMLSW-VHSXEESVSA-N 1 0 200.282 0.618 20 30 BCEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C[C@H](O)CC#N ZINC000930567164 639812223 /nfs/dbraw/zinc/81/22/23/639812223.db2.gz CYPQVRHJIOOYBZ-NEPJUHHUSA-N 1 0 225.336 0.533 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H](O)CCC1(O)CCC1 ZINC000930588803 639814907 /nfs/dbraw/zinc/81/49/07/639814907.db2.gz IRLTZCKOTXLLDS-LBPRGKRZSA-N 1 0 225.332 0.998 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930600065 639817012 /nfs/dbraw/zinc/81/70/12/639817012.db2.gz FMZXAKLIOWYFNP-XQQFMLRXSA-N 1 0 241.331 0.280 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@H]1CCN(OC)C1=O ZINC000930602075 639817526 /nfs/dbraw/zinc/81/75/26/639817526.db2.gz YJYRTHWCTFSDCQ-ONGXEEELSA-N 1 0 210.277 0.540 20 30 BCEDRO CCN(C)C(=O)[C@@H]([NH2+]C[C@H](O)CC#N)C(C)C ZINC000930611157 639820237 /nfs/dbraw/zinc/82/02/37/639820237.db2.gz UJIPJYBEGWVTEM-MNOVXSKESA-N 1 0 241.335 0.353 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@H]1O ZINC000930622506 639826633 /nfs/dbraw/zinc/82/66/33/639826633.db2.gz GZQXKJDMCXLAFT-YVECIDJPSA-N 1 0 238.331 0.886 20 30 BCEDRO CC1(C)[C@H]([NH2+]C[C@H](O)CC#N)[C@H]2CCO[C@@H]21 ZINC000930625628 639829148 /nfs/dbraw/zinc/82/91/48/639829148.db2.gz NLGWSQAIFAHYDK-DBIOUOCHSA-N 1 0 224.304 0.664 20 30 BCEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]C[C@H](O)CC#N)C1(C)C ZINC000930633097 639833779 /nfs/dbraw/zinc/83/37/79/639833779.db2.gz NXEKHPHQVFKWRT-CHWFTXMASA-N 1 0 226.320 0.910 20 30 BCEDRO CO[C@@H]1[C@H](C)[C@@H]([NH2+]C[C@H](O)CC#N)C1(C)C ZINC000930633098 639834039 /nfs/dbraw/zinc/83/40/39/639834039.db2.gz NXEKHPHQVFKWRT-GWOFURMSSA-N 1 0 226.320 0.910 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1[nH]nc2c1COCC2 ZINC000930637313 639835236 /nfs/dbraw/zinc/83/52/36/639835236.db2.gz CYABGYATUHPMAE-YPMHNXCESA-N 1 0 249.314 0.916 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000911823926 639837576 /nfs/dbraw/zinc/83/75/76/639837576.db2.gz BDQGAEMRSPZZKG-WPRPVWTQSA-N 1 0 200.282 0.023 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C(COC)COC ZINC000930641246 639839167 /nfs/dbraw/zinc/83/91/67/639839167.db2.gz ZJBSHMSDZSDMBV-MNOVXSKESA-N 1 0 215.293 0.581 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)[C@@H](C)O ZINC000930650786 639845519 /nfs/dbraw/zinc/84/55/19/639845519.db2.gz QREHXRHTBMBUGE-ZNSHCXBVSA-N 1 0 215.293 0.051 20 30 BCEDRO CC[C@H](C)[NH+]1CCN(C[C@H](O)CC#N)CC1 ZINC000930655280 639848728 /nfs/dbraw/zinc/84/87/28/639848728.db2.gz WCESPJKKAFIJNH-NWDGAFQWSA-N 1 0 225.336 0.677 20 30 BCEDRO CC[C@@H](C)[NH+]1CCN(C[C@H](O)CC#N)CC1 ZINC000930655281 639849158 /nfs/dbraw/zinc/84/91/58/639849158.db2.gz WCESPJKKAFIJNH-VXGBXAGGSA-N 1 0 225.336 0.677 20 30 BCEDRO CC1(C)C[N@H+](C[C@H](O)CC#N)[C@@H]2COC[C@@H]21 ZINC000930672638 639857142 /nfs/dbraw/zinc/85/71/42/639857142.db2.gz NEDMKYNGMXIPMC-OUAUKWLOSA-N 1 0 224.304 0.618 20 30 BCEDRO C#CCNCC(=O)Nc1ccc([C@@H](C)[NH3+])cc1 ZINC000911849219 639858879 /nfs/dbraw/zinc/85/88/79/639858879.db2.gz YUERCIMRCFEWGH-SNVBAGLBSA-N 1 0 231.299 0.868 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000930693595 639863820 /nfs/dbraw/zinc/86/38/20/639863820.db2.gz QUIDCKIXIURFRZ-UWVGGRQHSA-N 1 0 212.293 0.544 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000930716187 639876108 /nfs/dbraw/zinc/87/61/08/639876108.db2.gz NABDCNDRTIZJDZ-GHMZBOCLSA-N 1 0 226.320 0.334 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@H](C)CCO ZINC000911917565 639877301 /nfs/dbraw/zinc/87/73/01/639877301.db2.gz FFMVVYRXJSSWAL-LLVKDONJSA-N 1 0 228.336 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H](C)CCO ZINC000911917566 639877645 /nfs/dbraw/zinc/87/76/45/639877645.db2.gz FFMVVYRXJSSWAL-NSHDSACASA-N 1 0 228.336 0.724 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000930724305 639879958 /nfs/dbraw/zinc/87/99/58/639879958.db2.gz BPQHFBOWWDJRGG-QWRGUYRKSA-N 1 0 236.319 0.839 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000930724306 639880414 /nfs/dbraw/zinc/88/04/14/639880414.db2.gz BPQHFBOWWDJRGG-WDEREUQCSA-N 1 0 236.319 0.839 20 30 BCEDRO C=CCNC(=O)c1cc2n(n1)CCC[C@H]2[NH3+] ZINC000911926386 639882919 /nfs/dbraw/zinc/88/29/19/639882919.db2.gz XORCXYGKHHZFDP-MRVPVSSYSA-N 1 0 220.276 0.593 20 30 BCEDRO C=C[C@H](C)ONC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000911902710 639884161 /nfs/dbraw/zinc/88/41/61/639884161.db2.gz DDTAFNPSEWADHS-CMPLNLGQSA-N 1 0 242.319 0.456 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCOCC1 ZINC000911911582 639889743 /nfs/dbraw/zinc/88/97/43/639889743.db2.gz QJHUSRUWYZOFKP-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO C[C@H]1C[C@@H](CO)C[N@H+](C[C@H](O)CC#N)C1 ZINC000930747714 639893587 /nfs/dbraw/zinc/89/35/87/639893587.db2.gz FPCVVUHVJNMXDU-HBNTYKKESA-N 1 0 212.293 0.211 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000930815896 639915380 /nfs/dbraw/zinc/91/53/80/639915380.db2.gz LGEFCNRKTUSTRY-MXWKQRLJSA-N 1 0 210.277 0.372 20 30 BCEDRO Cc1nnccc1NC(=O)NCC#CC[NH+](C)C ZINC000930814768 639916384 /nfs/dbraw/zinc/91/63/84/639916384.db2.gz QONOIMRPXKSSRJ-UHFFFAOYSA-N 1 0 247.302 0.472 20 30 BCEDRO CC[N@H+]1[C@H](C)CN(C(=O)CC#N)C[C@@H]1C ZINC000912024124 639922873 /nfs/dbraw/zinc/92/28/73/639922873.db2.gz NVUACXDUBOVWEA-AOOOYVTPSA-N 1 0 209.293 0.841 20 30 BCEDRO Cc1nccc(NC(=O)NCC#CC[NH+](C)C)n1 ZINC000930836306 639935478 /nfs/dbraw/zinc/93/54/78/639935478.db2.gz HQOACIRFFIYACI-UHFFFAOYSA-N 1 0 247.302 0.472 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CCCCC[C@H]1CO ZINC000930871121 639962484 /nfs/dbraw/zinc/96/24/84/639962484.db2.gz WCGLMRRNXVBKHY-WDEREUQCSA-N 1 0 212.293 0.498 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000930886613 639973868 /nfs/dbraw/zinc/97/38/68/639973868.db2.gz UUKDWJHFNPYGDB-WDEREUQCSA-N 1 0 222.288 0.494 20 30 BCEDRO CC#CC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C ZINC000930907344 639980945 /nfs/dbraw/zinc/98/09/45/639980945.db2.gz BZOQTVUBJVFVRC-VWYCJHECSA-N 1 0 208.305 0.984 20 30 BCEDRO CC#CC[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC000930907342 639982068 /nfs/dbraw/zinc/98/20/68/639982068.db2.gz BZOQTVUBJVFVRC-OUAUKWLOSA-N 1 0 208.305 0.984 20 30 BCEDRO C=CCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000912378491 640034722 /nfs/dbraw/zinc/03/47/22/640034722.db2.gz HHAQNAIFVVBPTL-KOLCDFICSA-N 1 0 212.293 0.134 20 30 BCEDRO CN(Cc1ccns1)C[C@H](O)CC#N ZINC000930954201 639999750 /nfs/dbraw/zinc/99/97/50/639999750.db2.gz RXDSGVSMOUTBPZ-MRVPVSSYSA-N 1 0 211.290 0.849 20 30 BCEDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930967384 640004032 /nfs/dbraw/zinc/00/40/32/640004032.db2.gz WAFRDHRZFNXQPZ-IJLUTSLNSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@@H]1CCC[N@H+](C[C@H](O)CC#N)[C@H]1CCO ZINC000930972152 640008131 /nfs/dbraw/zinc/00/81/31/640008131.db2.gz YENPACJYHYZGEN-UTUOFQBUSA-N 1 0 226.320 0.744 20 30 BCEDRO C=CCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000912378490 640033846 /nfs/dbraw/zinc/03/38/46/640033846.db2.gz HHAQNAIFVVBPTL-GXSJLCMTSA-N 1 0 212.293 0.134 20 30 BCEDRO CON=CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912378925 640034361 /nfs/dbraw/zinc/03/43/61/640034361.db2.gz UEHKXVBMXZVMRF-NSHDSACASA-N 1 0 225.292 0.219 20 30 BCEDRO C=CCCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000912379439 640035341 /nfs/dbraw/zinc/03/53/41/640035341.db2.gz RMJTWOYQJCIDJX-UHFFFAOYSA-N 1 0 225.336 0.172 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)[C@H](C)O ZINC000931063427 640049320 /nfs/dbraw/zinc/04/93/20/640049320.db2.gz RQYKOVYDFBENRX-NNYUYHANSA-N 1 0 211.305 0.911 20 30 BCEDRO CCC[N@H+](C)CC(C)(C)NC[C@H](O)CC#N ZINC000931067067 640055479 /nfs/dbraw/zinc/05/54/79/640055479.db2.gz KVGDFMHYMRTWLI-LLVKDONJSA-N 1 0 227.352 0.971 20 30 BCEDRO C[N@@H+](CC1=CCSC1)C[C@H](O)CC#N ZINC000931072532 640057771 /nfs/dbraw/zinc/05/77/71/640057771.db2.gz UBVGKCJTNWNDJL-SNVBAGLBSA-N 1 0 212.318 0.866 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NC1CCOCC1 ZINC000912437651 640061567 /nfs/dbraw/zinc/06/15/67/640061567.db2.gz IWQFURVURXOBLV-LLVKDONJSA-N 1 0 226.320 0.965 20 30 BCEDRO C#CC1(O)CCN([C@@H](C)c2nnc(C)[nH]2)CC1 ZINC000931149269 640077742 /nfs/dbraw/zinc/07/77/42/640077742.db2.gz FWGRAHSJSPDODF-VIFPVBQESA-N 1 0 234.303 0.634 20 30 BCEDRO C#CC1(O)CC[NH+](CCOCC(F)F)CC1 ZINC000931150885 640078304 /nfs/dbraw/zinc/07/83/04/640078304.db2.gz JQLGXKJRNRNKPQ-UHFFFAOYSA-N 1 0 233.258 0.728 20 30 BCEDRO C#CC1(O)CC[NH+]([C@H](CO)C(=C)C)CC1 ZINC000931151369 640078727 /nfs/dbraw/zinc/07/87/27/640078727.db2.gz SFMNJVYOIFPKJE-LLVKDONJSA-N 1 0 209.289 0.384 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H]2CCO[C@H]2C)CC1 ZINC000931151830 640080504 /nfs/dbraw/zinc/08/05/04/640080504.db2.gz WNPYSRMOXTXXSO-NWDGAFQWSA-N 1 0 223.316 0.872 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H]2C[C@]23CCOC3)CC1 ZINC000931153898 640080761 /nfs/dbraw/zinc/08/07/61/640080761.db2.gz NOOLRPKLCCBUJZ-STQMWFEESA-N 1 0 235.327 0.873 20 30 BCEDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(C)CC#N ZINC000931239789 640110322 /nfs/dbraw/zinc/11/03/22/640110322.db2.gz GBBCMONQQOTADI-SNVBAGLBSA-N 1 0 209.293 0.841 20 30 BCEDRO CN(CC[N@H+](C)CCO)C(=O)C#CC(C)(C)C ZINC000912598631 640120504 /nfs/dbraw/zinc/12/05/04/640120504.db2.gz HFLBHNZQHZWVOI-UHFFFAOYSA-N 1 0 240.347 0.418 20 30 BCEDRO C=C1CC(C)(C(=O)N(C)CC[N@H+](C)CCO)C1 ZINC000912600342 640123589 /nfs/dbraw/zinc/12/35/89/640123589.db2.gz OZNPEGJCCXNCTJ-UHFFFAOYSA-N 1 0 240.347 0.725 20 30 BCEDRO C=C(C)[C@H](CO)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278483 640128180 /nfs/dbraw/zinc/12/81/80/640128180.db2.gz DTXDOSLHJKQGTH-WHOHXGKFSA-N 1 0 210.321 0.415 20 30 BCEDRO CC[C@H](C#N)NC(=O)COC1CC[NH+](C)CC1 ZINC000931333073 640159844 /nfs/dbraw/zinc/15/98/44/640159844.db2.gz VGFTTXAJTKZPSV-SNVBAGLBSA-N 1 0 239.319 0.516 20 30 BCEDRO N#Cc1cncc(CN2C[C@@H]3C(=O)OC[C@@H]3C2)c1 ZINC000931336252 640161374 /nfs/dbraw/zinc/16/13/74/640161374.db2.gz NMWDKVXGWQKXGP-RYUDHWBXSA-N 1 0 243.266 0.558 20 30 BCEDRO CCC(O)(CC)C[N@H+](C)C[C@H](O)CC#N ZINC000931335810 640161547 /nfs/dbraw/zinc/16/15/47/640161547.db2.gz XRGUETNOVIGLPX-SNVBAGLBSA-N 1 0 214.309 0.744 20 30 BCEDRO C[NH+](C)C1(C)CCN(C[C@H](O)CC#N)CC1 ZINC000931352549 640167152 /nfs/dbraw/zinc/16/71/52/640167152.db2.gz OYWVIGLXIXEEOB-LLVKDONJSA-N 1 0 225.336 0.677 20 30 BCEDRO C#CCSCC(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC000912731133 640191249 /nfs/dbraw/zinc/19/12/49/640191249.db2.gz MIUYNGVDRPWICS-WDEREUQCSA-N 1 0 240.372 0.952 20 30 BCEDRO C=CC[NH+]1CCC(N2C(=O)CNC2=O)CC1 ZINC000348909052 640219068 /nfs/dbraw/zinc/21/90/68/640219068.db2.gz INYJJTIGDOWYLB-UHFFFAOYSA-N 1 0 223.276 0.189 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1cncc(OC)n1 ZINC000912833918 640222371 /nfs/dbraw/zinc/22/23/71/640222371.db2.gz JDORHSQBDDIIFF-UHFFFAOYSA-N 1 0 236.275 0.542 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912913897 640239113 /nfs/dbraw/zinc/23/91/13/640239113.db2.gz QASHVDWMIFKPDX-LBPRGKRZSA-N 1 0 236.315 0.333 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000912984883 640262274 /nfs/dbraw/zinc/26/22/74/640262274.db2.gz VCYFRPFKYHMSDU-PHIMTYICSA-N 1 0 208.305 0.973 20 30 BCEDRO COCC1([N@H+](C)C[C@H](O)CC#N)CCC1 ZINC000931621216 640292441 /nfs/dbraw/zinc/29/24/41/640292441.db2.gz ANUWSZTWSKEZJI-SNVBAGLBSA-N 1 0 212.293 0.762 20 30 BCEDRO C=CCC[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931636897 640295567 /nfs/dbraw/zinc/29/55/67/640295567.db2.gz GEZXBFIQEZADAU-SNVBAGLBSA-N 1 0 215.293 0.618 20 30 BCEDRO COC1(OC)CC[N@@H+]([C@@H](C)CCC#N)C[C@H]1O ZINC000931636767 640298021 /nfs/dbraw/zinc/29/80/21/640298021.db2.gz XLIPQBTYQVXKTM-WDEREUQCSA-N 1 0 242.319 0.734 20 30 BCEDRO C=CCOCC[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931634057 640298649 /nfs/dbraw/zinc/29/86/49/640298649.db2.gz LSZJMVCSILIUCS-LLVKDONJSA-N 1 0 245.319 0.245 20 30 BCEDRO C[C@@H](CCC#N)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931655183 640305278 /nfs/dbraw/zinc/30/52/78/640305278.db2.gz WJLMZLVKGPUXAV-DTWKUNHWSA-N 1 0 209.293 0.793 20 30 BCEDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCOCCC#N ZINC000931654778 640305307 /nfs/dbraw/zinc/30/53/07/640305307.db2.gz GCGULVPHUOKWIO-VIFPVBQESA-N 1 0 225.292 0.031 20 30 BCEDRO C[C@H](CCC#N)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931655173 640305583 /nfs/dbraw/zinc/30/55/83/640305583.db2.gz WJLMZLVKGPUXAV-BDAKNGLRSA-N 1 0 209.293 0.793 20 30 BCEDRO COC1(OC)CCOC[C@@H]1[NH2+]CCCC#N ZINC000931666960 640311023 /nfs/dbraw/zinc/31/10/23/640311023.db2.gz HXTUEWXIZGXDBU-JTQLQIEISA-N 1 0 228.292 0.658 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)C2(O)CCCC2)C1 ZINC000931714816 640332322 /nfs/dbraw/zinc/33/23/22/640332322.db2.gz KDHKKKOYWQWCPA-QWHCGFSZSA-N 1 0 237.343 0.998 20 30 BCEDRO C[C@@]1(CNC(=[NH2+])NC[C@H]2CCCO2)CCCO1 ZINC000151191593 640339120 /nfs/dbraw/zinc/33/91/20/640339120.db2.gz NFXZYDAMMSZOEA-PWSUYJOCSA-N 1 0 241.335 0.639 20 30 BCEDRO C[C@]1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCCO1 ZINC000151191408 640339742 /nfs/dbraw/zinc/33/97/42/640339742.db2.gz NFXZYDAMMSZOEA-CMPLNLGQSA-N 1 0 241.335 0.639 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](CO)C1 ZINC000913431976 640369717 /nfs/dbraw/zinc/36/97/17/640369717.db2.gz KRSHLRYIYCPZEM-PHIMTYICSA-N 1 0 226.320 0.381 20 30 BCEDRO Cc1cccnc1C(=O)NCC#CC[NH+](C)C ZINC000913519945 640381620 /nfs/dbraw/zinc/38/16/20/640381620.db2.gz VXZNEYSLALINDM-UHFFFAOYSA-N 1 0 231.299 0.685 20 30 BCEDRO Cc1ccc(C(=O)NCC#CC[NH+](C)C)nc1 ZINC000913520734 640381883 /nfs/dbraw/zinc/38/18/83/640381883.db2.gz WJYSMKCGZYJZJP-UHFFFAOYSA-N 1 0 231.299 0.685 20 30 BCEDRO Cc1[nH]ccc1C(=O)NCC#CC[NH+](C)C ZINC000913520023 640382211 /nfs/dbraw/zinc/38/22/11/640382211.db2.gz ZMOHKDGTIRVRQH-UHFFFAOYSA-N 1 0 219.288 0.618 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000932003141 640406938 /nfs/dbraw/zinc/40/69/38/640406938.db2.gz PBPGVVMUAHUZES-QWRGUYRKSA-N 1 0 227.304 0.618 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2cncnc2)CC1 ZINC000991488496 640439420 /nfs/dbraw/zinc/43/94/20/640439420.db2.gz KVMQEWFCSXVMOE-UHFFFAOYSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[N@@H+](CCN1CCOC1=O)C(C)C ZINC000932383648 640510559 /nfs/dbraw/zinc/51/05/59/640510559.db2.gz JWBGPEQENNTKTF-UHFFFAOYSA-N 1 0 210.277 0.782 20 30 BCEDRO C[C@@H](NC(=O)NCC#CC[NH+](C)C)C(F)F ZINC000932435077 640526118 /nfs/dbraw/zinc/52/61/18/640526118.db2.gz RRWSJCYTBNQFGW-MRVPVSSYSA-N 1 0 233.262 0.504 20 30 BCEDRO C#CC[N@@H+](CCc1nnnn1C)C(C)(C)C ZINC000932462414 640535392 /nfs/dbraw/zinc/53/53/92/640535392.db2.gz YPTGGMOOMYHYPU-UHFFFAOYSA-N 1 0 221.308 0.486 20 30 BCEDRO C[C@H]1COC[C@H]1[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000932493033 640556827 /nfs/dbraw/zinc/55/68/27/640556827.db2.gz WLFQCABZXNNSAM-VHSXEESVSA-N 1 0 237.303 0.173 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1COC[C@H]1C ZINC000932497605 640557610 /nfs/dbraw/zinc/55/76/10/640557610.db2.gz LHXUZCMWPOGVIU-NEPJUHHUSA-N 1 0 238.331 0.812 20 30 BCEDRO C#CCC[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932772915 640608476 /nfs/dbraw/zinc/60/84/76/640608476.db2.gz KRIPNYDDJVXDGX-LLVKDONJSA-N 1 0 222.288 0.830 20 30 BCEDRO CC#CC[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932775140 640610765 /nfs/dbraw/zinc/61/07/65/640610765.db2.gz KVEKVPFSXCWJFN-NSHDSACASA-N 1 0 222.288 0.830 20 30 BCEDRO C=CC[NH+]1CCC2(CC1)C[C@H](O)CNC2=O ZINC000932841632 640616778 /nfs/dbraw/zinc/61/67/78/640616778.db2.gz LKHKOONVSWMQBT-JTQLQIEISA-N 1 0 224.304 0.135 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C[C@H]1C ZINC000947093529 640664583 /nfs/dbraw/zinc/66/45/83/640664583.db2.gz DKBFZRNOSQXPNR-PWSUYJOCSA-N 1 0 246.314 0.626 20 30 BCEDRO CNC(=O)C(C)(C)CNC(=[NH2+])NCC(C)C ZINC000157369039 640668826 /nfs/dbraw/zinc/66/88/26/640668826.db2.gz WOGGUKYLFBZKSI-UHFFFAOYSA-N 1 0 228.340 0.319 20 30 BCEDRO CC[C@@H]1C(=O)NCCC[N@H+]1CCO[C@H](C)C#N ZINC000933217275 640682214 /nfs/dbraw/zinc/68/22/14/640682214.db2.gz YKOAFUVEIBFTJS-GHMZBOCLSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCC1([NH2+]CC(=O)N(C)OC)CCC1 ZINC000933299784 640702226 /nfs/dbraw/zinc/70/22/26/640702226.db2.gz WOPCHDUDFKTWKA-UHFFFAOYSA-N 1 0 210.277 0.542 20 30 BCEDRO C#CCOCC[NH2+][C@H]1C(=O)NCC1(CC)CC ZINC000933283668 640696868 /nfs/dbraw/zinc/69/68/68/640696868.db2.gz KTPDKMYTTUXZKA-NSHDSACASA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCC1([NH2+][C@@H](C)C(=O)NC(=O)NC)CCC1 ZINC000933305087 640702201 /nfs/dbraw/zinc/70/22/01/640702201.db2.gz YWOMBKJNFYCAPO-VIFPVBQESA-N 1 0 237.303 0.366 20 30 BCEDRO C#CCC1([NH2+]CC(=O)NC(=O)NC2CC2)CCC1 ZINC000933305038 640702333 /nfs/dbraw/zinc/70/23/33/640702333.db2.gz WUDRCKIBSSZNGM-UHFFFAOYSA-N 1 0 249.314 0.510 20 30 BCEDRO C#CCC1([NH2+][C@H](C)C(=O)NC(=O)NC)CCC1 ZINC000933305086 640702997 /nfs/dbraw/zinc/70/29/97/640702997.db2.gz YWOMBKJNFYCAPO-SECBINFHSA-N 1 0 237.303 0.366 20 30 BCEDRO C#CCOCC[N@@H+](C)Cc1cccc(=O)[nH]1 ZINC000933400769 640713663 /nfs/dbraw/zinc/71/36/63/640713663.db2.gz CDIWKUAJJLWUKF-UHFFFAOYSA-N 1 0 220.272 0.869 20 30 BCEDRO COCC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933646760 640737710 /nfs/dbraw/zinc/73/77/10/640737710.db2.gz OLUWSRKZUWIJMY-UHFFFAOYSA-N 1 0 225.288 0.971 20 30 BCEDRO O=C1C=COC2(CC[NH+](CCCO)CC2)C1 ZINC000933652574 640738681 /nfs/dbraw/zinc/73/86/81/640738681.db2.gz PRACKTCLTUTNOD-UHFFFAOYSA-N 1 0 225.288 0.707 20 30 BCEDRO C[C@]12C[N@H+](CC(=O)NCC#N)C[C@H]1[C@H]1C=C[C@@H]2C1 ZINC000933707615 640751399 /nfs/dbraw/zinc/75/13/99/640751399.db2.gz WHRCAUXXFVOGEC-KZVDOYCCSA-N 1 0 245.326 0.770 20 30 BCEDRO C=C(CC)C[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933726049 640753208 /nfs/dbraw/zinc/75/32/08/640753208.db2.gz IZLKHLYHKABNBI-PHIMTYICSA-N 1 0 229.345 0.929 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+](CC)CCC(=O)NC ZINC000933864195 640774926 /nfs/dbraw/zinc/77/49/26/640774926.db2.gz PKGZIVGDRHATDB-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(Br)CNC(=O)C[C@@H](C)[NH3+] ZINC000158033598 640788209 /nfs/dbraw/zinc/78/82/09/640788209.db2.gz VLFXOQQGWATJJM-ZCFIWIBFSA-N 1 0 221.098 0.749 20 30 BCEDRO C=C(C)CN(CC)C(=O)CN1CC[C@H]1CO ZINC000934027775 640800885 /nfs/dbraw/zinc/80/08/85/640800885.db2.gz VPHUKQIQOIKFSF-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000934003898 640804619 /nfs/dbraw/zinc/80/46/19/640804619.db2.gz MLQSQJHPODHKJH-LBPRGKRZSA-N 1 0 238.331 0.267 20 30 BCEDRO CC[C@@H]([NH2+]CC(=O)NCCC#N)C1CC1 ZINC000323861136 640824700 /nfs/dbraw/zinc/82/47/00/640824700.db2.gz JMXZITXAYRGABZ-SNVBAGLBSA-N 1 0 209.293 0.794 20 30 BCEDRO CCOCCCNC(=[NH2+])NCCCCOC ZINC000170913799 640938275 /nfs/dbraw/zinc/93/82/75/640938275.db2.gz NPRPNBIGHPBUTH-UHFFFAOYSA-N 1 0 231.340 0.744 20 30 BCEDRO COC[C@@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000229190962 640931291 /nfs/dbraw/zinc/93/12/91/640931291.db2.gz JXXISLICWLNEFK-CYBMUJFWSA-N 1 0 219.284 0.635 20 30 BCEDRO CCCNC(=[NH2+])NCCN1CCOC(C)(C)C1 ZINC000170912836 640937742 /nfs/dbraw/zinc/93/77/42/640937742.db2.gz ACQHLGOOVQASIH-UHFFFAOYSA-N 1 0 242.367 0.412 20 30 BCEDRO Cc1cccnc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000171539913 640988550 /nfs/dbraw/zinc/98/85/50/640988550.db2.gz QXYFNKDIWZIYHX-NSHDSACASA-N 1 0 248.330 0.973 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000934107364 641071940 /nfs/dbraw/zinc/07/19/40/641071940.db2.gz HWPYMECQWLDKKV-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CC[C@@H]2OC)C1=O ZINC000934109584 641072661 /nfs/dbraw/zinc/07/26/61/641072661.db2.gz AXYIUTCZUZVFII-SRVKXCTJSA-N 1 0 238.331 0.883 20 30 BCEDRO C=C(C)C[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934219418 641104242 /nfs/dbraw/zinc/10/42/42/641104242.db2.gz JLVSZJWBTMDFOI-NSHDSACASA-N 1 0 222.292 0.293 20 30 BCEDRO C=C(CC)C[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934220665 641104922 /nfs/dbraw/zinc/10/49/22/641104922.db2.gz FPCLDYZEEYTEQW-GFCCVEGCSA-N 1 0 236.319 0.683 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000934338904 641129220 /nfs/dbraw/zinc/12/92/20/641129220.db2.gz AOULLVCWCLMABG-QWRGUYRKSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCS(=O)(=O)N(C)C ZINC000934463366 641158135 /nfs/dbraw/zinc/15/81/35/641158135.db2.gz HNWABPVHITUGNC-JTQLQIEISA-N 1 0 232.349 0.528 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1[C@@H]1CCN(OC)C1=O ZINC000934461460 641155049 /nfs/dbraw/zinc/15/50/49/641155049.db2.gz NGEIUQJWYRENHJ-VHSXEESVSA-N 1 0 210.277 0.799 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@]1(C)CO ZINC000723049267 711498065 /nfs/dbraw/zinc/49/80/65/711498065.db2.gz SUHFGUUGVKVBAT-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000934510582 641178216 /nfs/dbraw/zinc/17/82/16/641178216.db2.gz AQGKDXHONSCLMP-SNVBAGLBSA-N 1 0 235.287 0.026 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000934516025 641183175 /nfs/dbraw/zinc/18/31/75/641183175.db2.gz BHXFHJHNLDVLOO-CMPLNLGQSA-N 1 0 225.288 0.398 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC000971134058 641183587 /nfs/dbraw/zinc/18/35/87/641183587.db2.gz GLQRHVSPKYKMOK-NSHDSACASA-N 1 0 232.287 0.189 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1C[C@H](O)CC(=O)OCC ZINC000934515522 641185011 /nfs/dbraw/zinc/18/50/11/641185011.db2.gz MRSDZPLNGYSISZ-VXGBXAGGSA-N 1 0 239.315 0.788 20 30 BCEDRO C#CCOCCN1CC[C@H](O)[C@H](F)C1 ZINC000934566047 641197364 /nfs/dbraw/zinc/19/73/64/641197364.db2.gz LRXIXXYXELSAAH-ZJUUUORDSA-N 1 0 201.241 0.041 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H](O)[C@H](F)C1 ZINC000934578620 641208023 /nfs/dbraw/zinc/20/80/23/641208023.db2.gz UZUIHKYNRQMZDF-HBNTYKKESA-N 1 0 217.284 0.718 20 30 BCEDRO C#CCSCC[NH2+]C[C@H](O)C(F)(F)F ZINC000231946587 641219837 /nfs/dbraw/zinc/21/98/37/641219837.db2.gz VGNPPKIZIYTOBH-ZETCQYMHSA-N 1 0 227.251 0.866 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CC=CC[C@H]1C ZINC000934629072 641223396 /nfs/dbraw/zinc/22/33/96/641223396.db2.gz AYBZBPVRVWWMEJ-GHMZBOCLSA-N 1 0 206.289 0.680 20 30 BCEDRO C#C[C@H]([NH2+]CC1(C(=O)OC)CC1)[C@@H]1CCCO1 ZINC000828952885 641384534 /nfs/dbraw/zinc/38/45/34/641384534.db2.gz DNAJSFCKAABJJY-QWRGUYRKSA-N 1 0 237.299 0.710 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001007105040 641414581 /nfs/dbraw/zinc/41/45/81/641414581.db2.gz GELCRYFSUOMPEX-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C[C@H](CC#N)C(=O)NC12CC[NH+](CC1)C2 ZINC000913636162 641438103 /nfs/dbraw/zinc/43/81/03/641438103.db2.gz ZNGKZMWVBNZXCD-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO C#CCCN1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001030955712 641521534 /nfs/dbraw/zinc/52/15/34/641521534.db2.gz KDHBWZRGZJFBAF-LBPRGKRZSA-N 1 0 249.358 0.294 20 30 BCEDRO C=CCN1CC(NC(=O)C[N@H+]2CC[C@H](C)C2)C1 ZINC001030960182 641525111 /nfs/dbraw/zinc/52/51/11/641525111.db2.gz PUSPJNQOMIBNRP-NSHDSACASA-N 1 0 237.347 0.315 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)c2ccn[nH]2)[C@@H]1C ZINC000993072612 641730751 /nfs/dbraw/zinc/73/07/51/641730751.db2.gz QRRDPJZNQFAKME-QWRGUYRKSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C[C@H]1C ZINC000947485229 641741832 /nfs/dbraw/zinc/74/18/32/641741832.db2.gz WQOSFYBFEZANKZ-ZJUUUORDSA-N 1 0 247.302 0.021 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)c2cnco2)C[C@@H]1C ZINC000947584761 641746834 /nfs/dbraw/zinc/74/68/34/641746834.db2.gz LUVQNPPZMOHXFQ-WDEREUQCSA-N 1 0 247.298 0.891 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925419491 641778484 /nfs/dbraw/zinc/77/84/84/641778484.db2.gz CHNTYABICQZODB-NSHDSACASA-N 1 0 241.335 0.535 20 30 BCEDRO C#CCOCCC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000153410572 641782308 /nfs/dbraw/zinc/78/23/08/641782308.db2.gz PDKPCQSGNYVFFF-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc2[nH]c(=O)[nH]c2c1 ZINC000915050866 641793809 /nfs/dbraw/zinc/79/38/09/641793809.db2.gz LOVCCERPHOPJDK-UHFFFAOYSA-N 1 0 232.247 0.476 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc(-n2cncn2)c(F)c1 ZINC000915049498 641794244 /nfs/dbraw/zinc/79/42/44/641794244.db2.gz SOQVGBMCNRJPOQ-UHFFFAOYSA-N 1 0 247.237 0.223 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(-n2cncn2)cc1 ZINC000915050701 641794484 /nfs/dbraw/zinc/79/44/84/641794484.db2.gz FSWBFAVUSHSVJZ-UHFFFAOYSA-N 1 0 243.274 0.474 20 30 BCEDRO NC(=[NH2+])NN=Cc1cc2ccccc2[nH]c1=O ZINC000915051181 641796336 /nfs/dbraw/zinc/79/63/36/641796336.db2.gz WQLHPPCFOJIUGW-UHFFFAOYSA-N 1 0 229.243 0.757 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCOCC(F)F ZINC000189573319 641812636 /nfs/dbraw/zinc/81/26/36/641812636.db2.gz JIVJWZDYIRTEEI-SSDOTTSWSA-N 1 0 223.267 0.971 20 30 BCEDRO CCOC1CC(CCNC(=[NH2+])NCCOC)C1 ZINC000189695736 641818569 /nfs/dbraw/zinc/81/85/69/641818569.db2.gz WOZVVZLGJDYQAY-UHFFFAOYSA-N 1 0 243.351 0.742 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000076681063 641819122 /nfs/dbraw/zinc/81/91/22/641819122.db2.gz IHHLTDHDWHKXKH-CYBMUJFWSA-N 1 0 249.358 0.296 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@H]([NH+]2CCCC2)C1 ZINC000076681060 641819914 /nfs/dbraw/zinc/81/99/14/641819914.db2.gz IHHLTDHDWHKXKH-ZDUSSCGKSA-N 1 0 249.358 0.296 20 30 BCEDRO C=CCONC(=O)CC1CC[NH+](C)CC1 ZINC000837048959 641842511 /nfs/dbraw/zinc/84/25/11/641842511.db2.gz UBINXUANYVIIFI-UHFFFAOYSA-N 1 0 212.293 0.952 20 30 BCEDRO C=CCN1CC(NC(=O)C23CC[NH+](CC2)C3)C1 ZINC001031263969 641869519 /nfs/dbraw/zinc/86/95/19/641869519.db2.gz IYYFYAWCPCFCCI-UHFFFAOYSA-N 1 0 235.331 0.069 20 30 BCEDRO NC(=[NH2+])NN=Cc1cccc2c1OCO2 ZINC000915959270 641887667 /nfs/dbraw/zinc/88/76/67/641887667.db2.gz MFFPTNNXIBCYJE-UHFFFAOYSA-N 1 0 206.205 0.232 20 30 BCEDRO N#CCOc1cccc(C=NNC(N)=[NH2+])c1 ZINC000915959090 641887708 /nfs/dbraw/zinc/88/77/08/641887708.db2.gz IKXWUEIPJHLLMX-UHFFFAOYSA-N 1 0 217.232 0.406 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](CF)C1 ZINC000916113580 641909486 /nfs/dbraw/zinc/90/94/86/641909486.db2.gz OPPHQPZUYHGGPS-SNVBAGLBSA-N 1 0 214.284 0.922 20 30 BCEDRO CN(CCC#N)C(=S)NCCC[NH+](C)C ZINC000916546049 641946017 /nfs/dbraw/zinc/94/60/17/641946017.db2.gz BDISUIFUAYIKQN-UHFFFAOYSA-N 1 0 228.365 0.658 20 30 BCEDRO CC[C@H](CO)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000916570834 641948611 /nfs/dbraw/zinc/94/86/11/641948611.db2.gz XDQDUJGBEVNMGE-PWSUYJOCSA-N 1 0 241.335 0.401 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1Cn1c(N)nc(C#N)c1C#N ZINC000916578920 641951012 /nfs/dbraw/zinc/95/10/12/641951012.db2.gz JQHCHUNOLCAMFW-MRVPVSSYSA-N 1 0 230.275 0.303 20 30 BCEDRO C=CCCCS(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000916920632 641985725 /nfs/dbraw/zinc/98/57/25/641985725.db2.gz RTYWRPGAEMMGAP-UHFFFAOYSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[N@H+](CC(=O)N1CCOCC1)C(C)C ZINC000917071371 642003713 /nfs/dbraw/zinc/00/37/13/642003713.db2.gz RXXBIYNSQDRHHD-UHFFFAOYSA-N 1 0 226.320 0.742 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001015763087 642008774 /nfs/dbraw/zinc/00/87/74/642008774.db2.gz RPWXGNFDIILRRA-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO CNC(NCCCC(=O)OC(C)C)=[NH+]C ZINC000154333216 642035680 /nfs/dbraw/zinc/03/56/80/642035680.db2.gz MXMKYUDBBISLLX-UHFFFAOYSA-N 1 0 215.297 0.513 20 30 BCEDRO C=C(C)CN1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 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C=CC[NH2+][C@H]1CCN(C(=O)c2nnn(C)c2C)C1 ZINC001018659102 643006675 /nfs/dbraw/zinc/00/66/75/643006675.db2.gz MRMIHMWJPAIALX-JTQLQIEISA-N 1 0 249.318 0.114 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncccc2O)C1 ZINC001018749787 643008709 /nfs/dbraw/zinc/00/87/09/643008709.db2.gz ABMOKCGSTNYDNV-JTQLQIEISA-N 1 0 245.282 0.225 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C)sn2)C1 ZINC001018772975 643010556 /nfs/dbraw/zinc/01/05/56/643010556.db2.gz WSPRYQSPQRUJOR-JTQLQIEISA-N 1 0 249.339 0.889 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC001018840419 643012224 /nfs/dbraw/zinc/01/22/24/643012224.db2.gz GPYIWVVNQNUFNN-VIFPVBQESA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC2(F)F)C1 ZINC001018817216 643013955 /nfs/dbraw/zinc/01/39/55/643013955.db2.gz KJKCPSQQCSKDIU-DTWKUNHWSA-N 1 0 228.242 0.465 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cnc(C)o2)C1 ZINC001018960380 643015164 /nfs/dbraw/zinc/01/51/64/643015164.db2.gz LXDQKNHXKFNGEU-NSHDSACASA-N 1 0 247.298 0.349 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cncn2C)C1 ZINC001019099910 643018094 /nfs/dbraw/zinc/01/80/94/643018094.db2.gz RDDBVTHPDAJSKV-JTQLQIEISA-N 1 0 234.303 0.410 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnco2)C1 ZINC001019209867 643023095 /nfs/dbraw/zinc/02/30/95/643023095.db2.gz ZUIQWFDITKTOHG-VIFPVBQESA-N 1 0 221.260 0.665 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001019261875 643024434 /nfs/dbraw/zinc/02/44/34/643024434.db2.gz BPLRRQGGFGITFV-NNYUYHANSA-N 1 0 236.315 0.255 20 30 BCEDRO C#Cc1cncc(C(=O)N2CC[C@H]([NH2+]CC)C2)c1 ZINC001019357430 643030448 /nfs/dbraw/zinc/03/04/48/643030448.db2.gz FVTQFFCRUJWHPO-ZDUSSCGKSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC001019430486 643034255 /nfs/dbraw/zinc/03/42/55/643034255.db2.gz LPTUKDGRUDSIDY-WDEREUQCSA-N 1 0 218.300 0.610 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(CC)nn2)C1 ZINC001019579718 643038568 /nfs/dbraw/zinc/03/85/68/643038568.db2.gz YFIAKRXFNQKCNN-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(CC)cn2)C1 ZINC001019663543 643038671 /nfs/dbraw/zinc/03/86/71/643038671.db2.gz MCMKUYQZEFCWEA-NSHDSACASA-N 1 0 246.314 0.340 20 30 BCEDRO CCNC(=[NH2+])NCCc1cccc(C)n1 ZINC000280095456 643038963 /nfs/dbraw/zinc/03/89/63/643038963.db2.gz WYSUUXJGMLKPQP-UHFFFAOYSA-N 1 0 206.293 0.857 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCn2cccc2)C1 ZINC001019564559 643040528 /nfs/dbraw/zinc/04/05/28/643040528.db2.gz VSYRPWHQWWOEAZ-ZDUSSCGKSA-N 1 0 245.326 0.702 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(CC)on2)C1 ZINC001019673171 643041619 /nfs/dbraw/zinc/04/16/19/643041619.db2.gz DUFOJXCDJPPSQR-JTQLQIEISA-N 1 0 247.298 0.674 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C)on2)C1 ZINC001019967620 643047655 /nfs/dbraw/zinc/04/76/55/643047655.db2.gz UEAFNIHCJUSCNC-MGCOHNPYSA-N 1 0 233.271 0.467 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnc(C)cn2)C1 ZINC001019955999 643049142 /nfs/dbraw/zinc/04/91/42/643049142.db2.gz ODFAOACCBSAYGY-XYPYZODXSA-N 1 0 246.314 0.821 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2cccn2)C1 ZINC001019988813 643050280 /nfs/dbraw/zinc/05/02/80/643050280.db2.gz SRRIYVRWVPVDRB-HAQNSBGRSA-N 1 0 248.330 0.696 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001020010179 643051786 /nfs/dbraw/zinc/05/17/86/643051786.db2.gz AKOQSWRXHKLYDV-HAQNSBGRSA-N 1 0 248.330 0.614 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnc(C)s2)C1 ZINC001020017682 643052414 /nfs/dbraw/zinc/05/24/14/643052414.db2.gz AVFCMBKYARMEOJ-MGCOHNPYSA-N 1 0 249.339 0.935 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2=COCCC2)C1 ZINC001020020235 643053431 /nfs/dbraw/zinc/05/34/31/643053431.db2.gz LBCKZYNINIFQTL-HAQNSBGRSA-N 1 0 234.299 0.551 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001020060631 643054279 /nfs/dbraw/zinc/05/42/79/643054279.db2.gz FOJYGVXRLPRXAS-XYPYZODXSA-N 1 0 245.282 0.271 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001020075809 643056060 /nfs/dbraw/zinc/05/60/60/643056060.db2.gz IUFPLFIHKVJZMJ-SRVKXCTJSA-N 1 0 236.315 0.426 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001020133528 643060676 /nfs/dbraw/zinc/06/06/76/643060676.db2.gz YOLXMCKJGODKFX-IWSPIJDZSA-N 1 0 228.242 0.512 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001020274704 643065188 /nfs/dbraw/zinc/06/51/88/643065188.db2.gz OPPXERPHJPGBQY-KYZUINATSA-N 1 0 248.286 0.219 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc2c(c1)CCO2 ZINC000252453922 643076702 /nfs/dbraw/zinc/07/67/02/643076702.db2.gz ZILRNCHHPCRHDQ-UHFFFAOYSA-N 1 0 204.233 0.438 20 30 BCEDRO C=CCC[NH+]1CC(N2CCN(C(C)=O)CC2)C1 ZINC000941259548 643079858 /nfs/dbraw/zinc/07/98/58/643079858.db2.gz XPTIDHKLEITHIP-UHFFFAOYSA-N 1 0 237.347 0.411 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cncc2C)C1 ZINC001020396962 643082318 /nfs/dbraw/zinc/08/23/18/643082318.db2.gz LNTWNDOVQRHVAW-HAQNSBGRSA-N 1 0 248.330 0.614 20 30 BCEDRO CCNC(NCCC(=O)OC)=[NH+]CC ZINC000076105316 643086530 /nfs/dbraw/zinc/08/65/30/643086530.db2.gz FKGBCWOYFLVNBV-UHFFFAOYSA-N 1 0 201.270 0.125 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)CC)[C@H](C)C1 ZINC000941692359 643116956 /nfs/dbraw/zinc/11/69/56/643116956.db2.gz IVEXAVBACWEUPG-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H](C)CO2)C1 ZINC001020408746 643099723 /nfs/dbraw/zinc/09/97/23/643099723.db2.gz AARYRKGAZHELPC-KKOKHZNYSA-N 1 0 238.331 0.834 20 30 BCEDRO C=CCN(CC=C)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000049631707 643117225 /nfs/dbraw/zinc/11/72/25/643117225.db2.gz LVENSKOCWSDFBP-LLVKDONJSA-N 1 0 244.360 0.742 20 30 BCEDRO C#CCCN1CC[NH+](CC(C)(C)O)CC1 ZINC000071381607 643137929 /nfs/dbraw/zinc/13/79/29/643137929.db2.gz RSQIRJZGIYBVAG-UHFFFAOYSA-N 1 0 210.321 0.398 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2ccon2)C1 ZINC000969330287 643143098 /nfs/dbraw/zinc/14/30/98/643143098.db2.gz OOUUSERLYCCKBP-VIFPVBQESA-N 1 0 235.287 0.911 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)[C@H](C)C1 ZINC000941847137 643144049 /nfs/dbraw/zinc/14/40/49/643144049.db2.gz QTBQRWBVWHMCPD-GHMZBOCLSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cocn2)[C@@H](C)C1 ZINC000941884543 643147412 /nfs/dbraw/zinc/14/74/12/643147412.db2.gz HHPWMWIRWHWPRU-WDEREUQCSA-N 1 0 247.298 0.748 20 30 BCEDRO CC#CC[NH+]1CC([C@H](C)NC(=O)c2ccn[nH]2)C1 ZINC000969336842 643148904 /nfs/dbraw/zinc/14/89/04/643148904.db2.gz SFIRXYOIRHJQQQ-JTQLQIEISA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@@H](C)C1 ZINC000942036597 643157873 /nfs/dbraw/zinc/15/78/73/643157873.db2.gz HRZIEGWNIJOAQY-WDEREUQCSA-N 1 0 246.314 0.483 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cnc(C)[nH]2)C1 ZINC000969398762 643163220 /nfs/dbraw/zinc/16/32/20/643163220.db2.gz KRKHXXOSQRQUCO-VIFPVBQESA-N 1 0 248.330 0.954 20 30 BCEDRO CC[NH+]1CC([C@H](C)NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000969463561 643176301 /nfs/dbraw/zinc/17/63/01/643176301.db2.gz PTQZJRLSUOWGRK-VIFPVBQESA-N 1 0 246.314 0.956 20 30 BCEDRO C=C(C)C(C)(C)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969564363 643190896 /nfs/dbraw/zinc/19/08/96/643190896.db2.gz SHVVYJUCBKQSHI-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000969643914 643204945 /nfs/dbraw/zinc/20/49/45/643204945.db2.gz BPLRRQGGFGITFV-WYUUTHIRSA-N 1 0 236.315 0.255 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(F)F)CC1(C)C ZINC000995292315 643216889 /nfs/dbraw/zinc/21/68/89/643216889.db2.gz JIPWLSAEQASUGX-MRVPVSSYSA-N 1 0 230.258 0.711 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2conc2C)C1 ZINC000969792599 643221091 /nfs/dbraw/zinc/22/10/91/643221091.db2.gz RDHRVQXLKNFRJQ-SNVBAGLBSA-N 1 0 233.271 0.420 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2[nH]c(C)nc2C)C1 ZINC001020600164 643225798 /nfs/dbraw/zinc/22/57/98/643225798.db2.gz MVQAHUBQUUQFOL-XYPYZODXSA-N 1 0 246.314 0.510 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001020601223 643227756 /nfs/dbraw/zinc/22/77/56/643227756.db2.gz PETDLULPGVPLPR-HAQNSBGRSA-N 1 0 246.314 0.062 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001020605439 643233661 /nfs/dbraw/zinc/23/36/61/643233661.db2.gz IJACXZHHQWSSJO-DDHJBXDOSA-N 1 0 220.316 0.903 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001020627790 643243202 /nfs/dbraw/zinc/24/32/02/643243202.db2.gz SHNFFZSORJTRCW-DCAQKATOSA-N 1 0 218.300 0.657 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943673128 643252553 /nfs/dbraw/zinc/25/25/53/643252553.db2.gz BDGHDXHNSUOSHL-VHSXEESVSA-N 1 0 249.318 0.431 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC000970031241 643268646 /nfs/dbraw/zinc/26/86/46/643268646.db2.gz AREJTBBOELBOHH-IJLUTSLNSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC)n2)C1 ZINC001020678293 643268795 /nfs/dbraw/zinc/26/87/95/643268795.db2.gz ANPRGTUITPTCBY-XYPYZODXSA-N 1 0 248.330 0.939 20 30 BCEDRO CC[N@H+](CCO[C@H](C)C#N)CCC(N)=O ZINC000932478371 643302162 /nfs/dbraw/zinc/30/21/62/643302162.db2.gz DHMSVXCGUQIZPA-SECBINFHSA-N 1 0 213.281 0.112 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C)C1 ZINC001020824839 643310850 /nfs/dbraw/zinc/31/08/50/643310850.db2.gz HLRBJTKMHVQRFD-FIQHERPVSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)CC1(C)C ZINC000995507105 643314486 /nfs/dbraw/zinc/31/44/86/643314486.db2.gz UOIIBIIHKWBKFT-LLVKDONJSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)[C@H](C)C#N)CC1(C)C ZINC000995558888 643330159 /nfs/dbraw/zinc/33/01/59/643330159.db2.gz JMEXCULKEDBKCT-MNOVXSKESA-N 1 0 233.315 0.606 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)CC1(C)C ZINC000995558906 643330479 /nfs/dbraw/zinc/33/04/79/643330479.db2.gz JMEXCULKEDBKCT-WDEREUQCSA-N 1 0 233.315 0.606 20 30 BCEDRO C[C@@H](C#N)C(=O)N1C[C@@H]([NH2+]CCF)C(C)(C)C1 ZINC000995569435 643333206 /nfs/dbraw/zinc/33/32/06/643333206.db2.gz AFSMCBSEMDZYPC-VHSXEESVSA-N 1 0 241.310 0.942 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)C)C1 ZINC001020961648 643352530 /nfs/dbraw/zinc/35/25/30/643352530.db2.gz QICRHWNJIKJOFY-MGCOHNPYSA-N 1 0 208.305 0.903 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cnco2)C1 ZINC000970229561 643401999 /nfs/dbraw/zinc/40/19/99/643401999.db2.gz VIYIIHBQMSHFIQ-VIFPVBQESA-N 1 0 235.287 0.911 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000970345968 643417021 /nfs/dbraw/zinc/41/70/21/643417021.db2.gz LRHUEIAHLFAGES-DGCLKSJQSA-N 1 0 236.315 0.237 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000185983896 643421123 /nfs/dbraw/zinc/42/11/23/643421123.db2.gz CEBZKFPPCADEOY-GARJFASQSA-N 1 0 235.331 0.933 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC000970422767 643427558 /nfs/dbraw/zinc/42/75/58/643427558.db2.gz IJAXYYRMAMNJCD-SNVBAGLBSA-N 1 0 235.287 0.973 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc[nH]1 ZINC001032276585 643430332 /nfs/dbraw/zinc/43/03/32/643430332.db2.gz WJEWXCHLKXPMIU-RYUDHWBXSA-N 1 0 243.310 0.937 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@H]2CC2(F)F)CC1 ZINC000996330951 643467491 /nfs/dbraw/zinc/46/74/91/643467491.db2.gz ULIJELUNOBQPLE-SNVBAGLBSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2[nH]cnc2C)C1 ZINC000970580826 643468396 /nfs/dbraw/zinc/46/83/96/643468396.db2.gz YTUYDDQZVIWUCU-LLVKDONJSA-N 1 0 246.314 0.084 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cncnc2)C1 ZINC001010717547 643486254 /nfs/dbraw/zinc/48/62/54/643486254.db2.gz DVHQDVOIIXGGBQ-GFCCVEGCSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2n[nH]nc2C)CC1 ZINC000996869282 643525041 /nfs/dbraw/zinc/52/50/41/643525041.db2.gz DJPZNVHPDDHWPG-UHFFFAOYSA-N 1 0 249.318 0.493 20 30 BCEDRO COC1(CNC(=[NH2+])NC2CC2)CCOCC1 ZINC000160408264 643576011 /nfs/dbraw/zinc/57/60/11/643576011.db2.gz SYOYVSHLXRKIRE-UHFFFAOYSA-N 1 0 227.308 0.249 20 30 BCEDRO CCNC(NCCNC(=O)C(C)C)=[NH+]CC ZINC000303266989 643578483 /nfs/dbraw/zinc/57/84/83/643578483.db2.gz WMUQGHHOSSNXES-UHFFFAOYSA-N 1 0 228.340 0.334 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2ccncn2)CC1 ZINC000997105341 643580379 /nfs/dbraw/zinc/58/03/79/643580379.db2.gz BNMAYHCMFPGYRH-UHFFFAOYSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000970883308 643585011 /nfs/dbraw/zinc/58/50/11/643585011.db2.gz GSCCLVUJQLKZMN-SNVBAGLBSA-N 1 0 232.287 0.155 20 30 BCEDRO N#CCCNC[C@@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000085790602 643624729 /nfs/dbraw/zinc/62/47/29/643624729.db2.gz PKPXSWCBRXJXRU-GHMZBOCLSA-N 1 0 209.293 0.353 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(C)F)C1 ZINC000970942349 643629614 /nfs/dbraw/zinc/62/96/14/643629614.db2.gz OLVZPDNKEXKQSP-SNVBAGLBSA-N 1 0 226.295 0.900 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000970943065 643631715 /nfs/dbraw/zinc/63/17/15/643631715.db2.gz WIHBWRIBNUNMTE-SECBINFHSA-N 1 0 230.258 0.808 20 30 BCEDRO N#Cc1cc(C[NH2+][C@H]2CCCNC2=O)cs1 ZINC000921627675 643632768 /nfs/dbraw/zinc/63/27/68/643632768.db2.gz KXGMLIZHFDQDHH-JTQLQIEISA-N 1 0 235.312 0.988 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000970957490 643636562 /nfs/dbraw/zinc/63/65/62/643636562.db2.gz ZZSYMECHDKOEDB-GFCCVEGCSA-N 1 0 243.310 0.861 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC000970994113 643655172 /nfs/dbraw/zinc/65/51/72/643655172.db2.gz PCXVZZKVWDWFCF-NSHDSACASA-N 1 0 246.314 0.809 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000970993740 643655192 /nfs/dbraw/zinc/65/51/92/643655192.db2.gz KTUIVDFPMMMBKE-LLVKDONJSA-N 1 0 244.298 0.256 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1cncnc1 ZINC000320338134 643666029 /nfs/dbraw/zinc/66/60/29/643666029.db2.gz ZUWCACCGJKIALA-NSHDSACASA-N 1 0 207.277 0.893 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC000998357287 643701631 /nfs/dbraw/zinc/70/16/31/643701631.db2.gz ZYCCAZCQIVWKTA-JTQLQIEISA-N 1 0 226.295 0.948 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ccncc2)C1 ZINC000998369110 643704081 /nfs/dbraw/zinc/70/40/81/643704081.db2.gz LPCBMUYJFFQDKS-UHFFFAOYSA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cc(C)no2)C1 ZINC000998430415 643705383 /nfs/dbraw/zinc/70/53/83/643705383.db2.gz VGLYINVLRDNGNQ-UHFFFAOYSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ccon2)C1 ZINC000998487571 643708725 /nfs/dbraw/zinc/70/87/25/643708725.db2.gz NZJKEGYTNNXZHL-UHFFFAOYSA-N 1 0 233.271 0.500 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000998490403 643709323 /nfs/dbraw/zinc/70/93/23/643709323.db2.gz XNPXISXBPFNZHF-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)C2=COCCC2)C1 ZINC000998534039 643710844 /nfs/dbraw/zinc/71/08/44/643710844.db2.gz BKYALCCCMMTPRC-UHFFFAOYSA-N 1 0 248.326 0.893 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCOC2)C1 ZINC000998519334 643711280 /nfs/dbraw/zinc/71/12/80/643711280.db2.gz PTLHRGFGTYNQGH-UNXYVOJBSA-N 1 0 236.315 0.235 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000998588926 643714008 /nfs/dbraw/zinc/71/40/08/643714008.db2.gz RYUCYTUWAROMCJ-SNVBAGLBSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](CC)OC)C1 ZINC000998709431 643718205 /nfs/dbraw/zinc/71/82/05/643718205.db2.gz LKTPMOXFKWKGCC-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)Cn2nccn2)C1 ZINC000998836613 643722481 /nfs/dbraw/zinc/72/24/81/643722481.db2.gz RXJCJUZIJDSVTO-UHFFFAOYSA-N 1 0 249.318 0.043 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ccns2)C1 ZINC000998852220 643725584 /nfs/dbraw/zinc/72/55/84/643725584.db2.gz SYUOXCPITAWBSW-UHFFFAOYSA-N 1 0 249.339 0.969 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cn[nH]n2)C1 ZINC000999043346 643728843 /nfs/dbraw/zinc/72/88/43/643728843.db2.gz UFMYHIXXNQDRRX-UHFFFAOYSA-N 1 0 235.291 0.183 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cnn(C)n2)C1 ZINC000999552965 643737626 /nfs/dbraw/zinc/73/76/26/643737626.db2.gz WFSZOUPKUZZAID-UHFFFAOYSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ncccn2)C1 ZINC000999584901 643738302 /nfs/dbraw/zinc/73/83/02/643738302.db2.gz FZBGMBFETDZHIO-UHFFFAOYSA-N 1 0 244.298 0.302 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000999580839 643738603 /nfs/dbraw/zinc/73/86/03/643738603.db2.gz PPSAIJBESGWRII-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C=CC(C)(C)C(=O)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000999893429 643741497 /nfs/dbraw/zinc/74/14/97/643741497.db2.gz IRPQOFPFIKUEAT-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](F)CC)C1 ZINC000999908744 643744121 /nfs/dbraw/zinc/74/41/21/643744121.db2.gz AJOBMAICJDUGLN-WDEREUQCSA-N 1 0 226.295 0.948 20 30 BCEDRO CC#CC[N@H+]1CC=C(CNC(C)=O)CC1 ZINC001000353772 643778459 /nfs/dbraw/zinc/77/84/59/643778459.db2.gz NPQCEQPVOJJWBS-UHFFFAOYSA-N 1 0 206.289 0.778 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001000464794 643784336 /nfs/dbraw/zinc/78/43/36/643784336.db2.gz OAPNWGLARUXUNC-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCOC2)CC1 ZINC001000496947 643786192 /nfs/dbraw/zinc/78/61/92/643786192.db2.gz SDTKHZKOJHLMIU-CYBMUJFWSA-N 1 0 248.326 0.404 20 30 BCEDRO C=CC[N@H+]1CC=C(CNC(=O)c2cn[nH]n2)CC1 ZINC001000891635 643797401 /nfs/dbraw/zinc/79/74/01/643797401.db2.gz SISFMRXPHJWFBF-UHFFFAOYSA-N 1 0 247.302 0.353 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000921869628 643812608 /nfs/dbraw/zinc/81/26/08/643812608.db2.gz DHNAOIBAULFNCL-WDEREUQCSA-N 1 0 241.335 0.581 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H]1CC[N@H+]1C ZINC000921870779 643814153 /nfs/dbraw/zinc/81/41/53/643814153.db2.gz WPGYCELESDMZHM-SNVBAGLBSA-N 1 0 227.308 0.192 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NC[C@H](C)C#N)CC1 ZINC000921880405 643815441 /nfs/dbraw/zinc/81/54/41/643815441.db2.gz JQPQVHPXVYGEHY-LLVKDONJSA-N 1 0 248.330 0.543 20 30 BCEDRO CC#CC[NH+]1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC001002375791 643823345 /nfs/dbraw/zinc/82/33/45/643823345.db2.gz MDBSOCDSGAKHQF-UHFFFAOYSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922140990 643871439 /nfs/dbraw/zinc/87/14/39/643871439.db2.gz OCPZECJWDZHQEI-JTQLQIEISA-N 1 0 206.245 0.261 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cnc2n1CCOC2 ZINC000922157228 643876283 /nfs/dbraw/zinc/87/62/83/643876283.db2.gz BCOOUQYVILYWIP-NEPJUHHUSA-N 1 0 249.314 0.846 20 30 BCEDRO N#Cc1cc(C[NH2+][C@@H]2CCOC[C@H]2O)cs1 ZINC000922293745 643957405 /nfs/dbraw/zinc/95/74/05/643957405.db2.gz HSCAKDSLJQRNMD-GHMZBOCLSA-N 1 0 238.312 0.859 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2oncc2C)CC1 ZINC001003890845 643963082 /nfs/dbraw/zinc/96/30/82/643963082.db2.gz YCJYDZLDLBPGME-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)NCC1(C#N)CC1 ZINC000922315865 643967154 /nfs/dbraw/zinc/96/71/54/643967154.db2.gz URFUMENROJQHLM-VIFPVBQESA-N 1 0 222.292 0.293 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H]1CC[N@@H+]1C)C(C)C ZINC000922520261 644011140 /nfs/dbraw/zinc/01/11/40/644011140.db2.gz KXHJUQKIOZFQQH-MNOVXSKESA-N 1 0 223.320 0.648 20 30 BCEDRO C#C[C@H](CC)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000922525700 644014391 /nfs/dbraw/zinc/01/43/91/644014391.db2.gz NFUDFWFGDZZULA-AXFHLTTASA-N 1 0 223.320 0.790 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@@H]2CCN2C)nn1 ZINC000922576759 644031106 /nfs/dbraw/zinc/03/11/06/644031106.db2.gz WBJWHKXHJUCGDQ-LBPRGKRZSA-N 1 0 235.335 0.648 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000922720623 644076396 /nfs/dbraw/zinc/07/63/96/644076396.db2.gz ZOFBTJVKDUJFEA-AXFHLTTASA-N 1 0 239.319 0.333 20 30 BCEDRO C=CCONC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000922767670 644091408 /nfs/dbraw/zinc/09/14/08/644091408.db2.gz VMTLQWZOEODHRS-IUCAKERBSA-N 1 0 213.281 0.496 20 30 BCEDRO CC1(C)[C@@H](O)C[C@@H]1NC(=[NH2+])N1CCCCC1 ZINC000186871952 644149862 /nfs/dbraw/zinc/14/98/62/644149862.db2.gz ICOZKXFLNHTBKP-UWVGGRQHSA-N 1 0 225.336 0.946 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC(=O)N(C)CC ZINC000186889239 644153520 /nfs/dbraw/zinc/15/35/20/644153520.db2.gz PPECDMHQCWLLRD-MRVPVSSYSA-N 1 0 214.313 0.168 20 30 BCEDRO C#CC[NH+]1CCC(N(C)C(=O)C2CC2)CC1 ZINC001005032837 644160317 /nfs/dbraw/zinc/16/03/17/644160317.db2.gz VLMDKVDYDMZRPN-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[NH+]1CCC(N(C)C(=O)c2ncc[nH]2)CC1 ZINC001005368527 644176278 /nfs/dbraw/zinc/17/62/78/644176278.db2.gz HOSKPAPYDDXZIZ-UHFFFAOYSA-N 1 0 246.314 0.579 20 30 BCEDRO C#CC[NH+]1CCC(N(C)C(=O)c2cnco2)CC1 ZINC001005792356 644184976 /nfs/dbraw/zinc/18/49/76/644184976.db2.gz ZSWFVKVKONOTNH-UHFFFAOYSA-N 1 0 247.298 0.844 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCC1(C#N)CCC1 ZINC000922921449 644190920 /nfs/dbraw/zinc/19/09/20/644190920.db2.gz GXSZILQDZDLWBL-SNVBAGLBSA-N 1 0 236.319 0.684 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCCCCCO ZINC000193019994 644208085 /nfs/dbraw/zinc/20/80/85/644208085.db2.gz UKQUQDXLSOFNJW-UHFFFAOYSA-N 1 0 201.314 0.852 20 30 BCEDRO C=C[C@H](C)NC(=O)NCC1([NH+](C)C)CC1 ZINC000923004705 644230342 /nfs/dbraw/zinc/23/03/42/644230342.db2.gz GLQZEMDTZKQFSD-VIFPVBQESA-N 1 0 211.309 0.954 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000080108361 644233456 /nfs/dbraw/zinc/23/34/56/644233456.db2.gz IPVRERSAVYLMQX-MXWKQRLJSA-N 1 0 237.303 0.125 20 30 BCEDRO C=C[C@H](C)ONC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000923086593 644261657 /nfs/dbraw/zinc/26/16/57/644261657.db2.gz NELLKEJVPKSFHO-LPEHRKFASA-N 1 0 227.308 0.884 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](C)C#C)CC1 ZINC000923215875 644287973 /nfs/dbraw/zinc/28/79/73/644287973.db2.gz RSTNTXISDFLBGQ-NSHDSACASA-N 1 0 233.315 0.405 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)N[C@H](C)C#C)CC1 ZINC000923215874 644288266 /nfs/dbraw/zinc/28/82/66/644288266.db2.gz RSTNTXISDFLBGQ-LLVKDONJSA-N 1 0 233.315 0.405 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000923221595 644290055 /nfs/dbraw/zinc/29/00/55/644290055.db2.gz HGNIJWWIUCREFC-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO Cn1cc(NC(=O)NCC#CC[NH+](C)C)cn1 ZINC000929374088 644303896 /nfs/dbraw/zinc/30/38/96/644303896.db2.gz ACUCOHLHWLTFJW-UHFFFAOYSA-N 1 0 235.291 0.107 20 30 BCEDRO CC#CC(=O)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000923268274 644305273 /nfs/dbraw/zinc/30/52/73/644305273.db2.gz CEYHCGJHTMIROY-MNOVXSKESA-N 1 0 206.289 0.705 20 30 BCEDRO C=CCC[C@H](O)CN1CCC[C@H]([NH2+]C)C1 ZINC000923282201 644314018 /nfs/dbraw/zinc/31/40/18/644314018.db2.gz SQLQPTQCOMUQBN-RYUDHWBXSA-N 1 0 212.337 0.997 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000923286442 644320608 /nfs/dbraw/zinc/32/06/08/644320608.db2.gz LBNIXTGHVBZMFC-TUAOUCFPSA-N 1 0 212.337 0.996 20 30 BCEDRO C=CCC[C@H](O)CN1CCC[C@H]1C[NH2+]C ZINC000923295072 644331600 /nfs/dbraw/zinc/33/16/00/644331600.db2.gz RNCZDKJYTDELSU-RYUDHWBXSA-N 1 0 212.337 0.997 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCCC(=O)N(C)C ZINC000194689520 644340890 /nfs/dbraw/zinc/34/08/90/644340890.db2.gz NEHZQANOEFTFIZ-VIFPVBQESA-N 1 0 228.340 0.558 20 30 BCEDRO C=CCC[C@H](O)CN1CC[NH2+][C@@H](C)[C@H]1C ZINC000923345880 644365699 /nfs/dbraw/zinc/36/56/99/644365699.db2.gz ONXMOCBVJNYOOB-TUAOUCFPSA-N 1 0 212.337 0.996 20 30 BCEDRO C#CC[NH2+]CC(=O)N1[C@H](C)CCC[C@@H]1C ZINC000082344090 644368781 /nfs/dbraw/zinc/36/87/81/644368781.db2.gz VZSFJTTWXKHDRW-PHIMTYICSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CCC[C@@H](O)CN1CC[NH2+]C[C@@H]1C(F)F ZINC000923351827 644368968 /nfs/dbraw/zinc/36/89/68/644368968.db2.gz CCLICVBVPLRORE-NXEZZACHSA-N 1 0 234.290 0.852 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000952408853 644385305 /nfs/dbraw/zinc/38/53/05/644385305.db2.gz CGPFVWHOKRJNGK-UHFFFAOYSA-N 1 0 248.330 0.673 20 30 BCEDRO C=CCC[C@@H](O)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000923408132 644408865 /nfs/dbraw/zinc/40/88/65/644408865.db2.gz CTJKVVBWUZEIKH-CHWSQXEVSA-N 1 0 242.363 0.360 20 30 BCEDRO C=CCC[C@@H](O)CN1CCC([NH2+]CCO)CC1 ZINC000923414005 644417212 /nfs/dbraw/zinc/41/72/12/644417212.db2.gz UIDZLYSBFYKJTQ-CYBMUJFWSA-N 1 0 242.363 0.360 20 30 BCEDRO C=CCC[C@@H](O)CN(CC)[C@H]1CC[NH2+]C1 ZINC000923426376 644419733 /nfs/dbraw/zinc/41/97/33/644419733.db2.gz TTXARFVIWOTKBO-NWDGAFQWSA-N 1 0 212.337 0.997 20 30 BCEDRO N#Cc1cnccc1CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923473525 644451358 /nfs/dbraw/zinc/45/13/58/644451358.db2.gz ARLJMAFEOVXLEN-ZDUSSCGKSA-N 1 0 246.314 0.239 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)[C@@H](C#N)CC)C1 ZINC000923553177 644495101 /nfs/dbraw/zinc/49/51/01/644495101.db2.gz IIGKLDPEHYOCHD-VXGBXAGGSA-N 1 0 233.315 0.750 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)/C=C\C)C1 ZINC000923554760 644497643 /nfs/dbraw/zinc/49/76/43/644497643.db2.gz OYKULUDBOFJEPW-UUSYTGMJSA-N 1 0 206.289 0.776 20 30 BCEDRO CCNC(=O)C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087822986 644503564 /nfs/dbraw/zinc/50/35/64/644503564.db2.gz MDGCVNNAVNNKLE-UHFFFAOYSA-N 1 0 247.298 0.793 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000750261865 644595625 /nfs/dbraw/zinc/59/56/25/644595625.db2.gz MJOYLDWPTXFKRC-VXGBXAGGSA-N 1 0 236.315 0.094 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1C[C@@H](C)CC[C@H]1C ZINC000091440395 644628126 /nfs/dbraw/zinc/62/81/26/644628126.db2.gz RBIKHCZPPGFAKT-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=S)N[C@@H](C)C[NH+](CC)CC ZINC000758217657 644635859 /nfs/dbraw/zinc/63/58/59/644635859.db2.gz NUEBXEYVYJGOSB-JTQLQIEISA-N 1 0 227.377 0.814 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000957056732 644680219 /nfs/dbraw/zinc/68/02/19/644680219.db2.gz DSCHDOYZQNFKJZ-GFCCVEGCSA-N 1 0 238.331 0.743 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000775157325 644701624 /nfs/dbraw/zinc/70/16/24/644701624.db2.gz RPSFLERDXDUMMZ-LLVKDONJSA-N 1 0 241.294 0.958 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccncc2)N1 ZINC000779798238 644715522 /nfs/dbraw/zinc/71/55/22/644715522.db2.gz NPUPSLOQEKIXIA-MRVPVSSYSA-N 1 0 203.249 0.353 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cc(C#N)cs2)N1 ZINC000779797230 644715851 /nfs/dbraw/zinc/71/58/51/644715851.db2.gz CKWIXIAGTOWCKZ-SSDOTTSWSA-N 1 0 233.300 0.891 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)C1CCOCC1 ZINC000779805264 644716667 /nfs/dbraw/zinc/71/66/67/644716667.db2.gz LYAHPUAFIWIHAM-QMMMGPOBSA-N 1 0 224.308 0.726 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnc3ncccn23)N1 ZINC000779798825 644717451 /nfs/dbraw/zinc/71/74/51/644717451.db2.gz QGVLHRUZVMRJQB-QMMMGPOBSA-N 1 0 243.274 0.001 20 30 BCEDRO N#CCSCCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782609384 644742420 /nfs/dbraw/zinc/74/24/20/644742420.db2.gz OKRXZWSVNUTYHQ-WDEREUQCSA-N 1 0 226.345 0.947 20 30 BCEDRO C=C(C)CN1CCN(C(=O)c2ccn(C)n2)CC1 ZINC000957653294 644747030 /nfs/dbraw/zinc/74/70/30/644747030.db2.gz PDSFDYKGHCBCAN-UHFFFAOYSA-N 1 0 248.330 0.754 20 30 BCEDRO C=CC[N@@H+]1C[C@@H](CNC(=O)C2CCC2)[C@H](O)C1 ZINC000957798157 644753641 /nfs/dbraw/zinc/75/36/41/644753641.db2.gz QKRWJRHQLDCZPK-VXGBXAGGSA-N 1 0 238.331 0.381 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)Cn2ccnc2)CC1 ZINC000957892973 644757591 /nfs/dbraw/zinc/75/75/91/644757591.db2.gz CSDPEMHAYYGXIZ-UHFFFAOYSA-N 1 0 248.330 0.603 20 30 BCEDRO C#CC[N@H+]1C[C@H](O)[C@H](CNC(=O)C2=CCCC2)C1 ZINC000957964238 644763290 /nfs/dbraw/zinc/76/32/90/644763290.db2.gz AUYZJSADRBNQSG-OLZOCXBDSA-N 1 0 248.326 0.139 20 30 BCEDRO C#CCNC(=O)CN1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000805767863 644763744 /nfs/dbraw/zinc/76/37/44/644763744.db2.gz IBHUPABETBAXKF-QWHCGFSZSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCNC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000805767862 644764812 /nfs/dbraw/zinc/76/48/12/644764812.db2.gz IBHUPABETBAXKF-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC ZINC000957984182 644765334 /nfs/dbraw/zinc/76/53/34/644765334.db2.gz UKECXABSYOJCIT-IAZYJMLFSA-N 1 0 206.289 0.466 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccncc1 ZINC000958078439 644774941 /nfs/dbraw/zinc/77/49/41/644774941.db2.gz BENLNLJLGDFAPC-ITGUQSILSA-N 1 0 241.294 0.375 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1 ZINC000958230837 644782172 /nfs/dbraw/zinc/78/21/72/644782172.db2.gz XFZMUCHPHFRBCW-ITGUQSILSA-N 1 0 244.294 0.963 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc[nH]1 ZINC000958221711 644782756 /nfs/dbraw/zinc/78/27/56/644782756.db2.gz WCRFNMPLHIWROF-PJXYFTJBSA-N 1 0 243.310 0.698 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1 ZINC000958233990 644783844 /nfs/dbraw/zinc/78/38/44/644783844.db2.gz LWLGQABLMSLWME-GDNZZTSVSA-N 1 0 230.267 0.573 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC000958396853 644794088 /nfs/dbraw/zinc/79/40/88/644794088.db2.gz HWGOKXIUEBMMPS-IAZYJMLFSA-N 1 0 247.298 0.911 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCOC1 ZINC000958446111 644796243 /nfs/dbraw/zinc/79/62/43/644796243.db2.gz YRNYNBXPPOUUDX-NMKXLXIOSA-N 1 0 248.326 0.093 20 30 BCEDRO CCOCCCCNC(=[NH2+])NCCOC ZINC000303263614 644811688 /nfs/dbraw/zinc/81/16/88/644811688.db2.gz RFLKXXOVDRJEEU-UHFFFAOYSA-N 1 0 217.313 0.354 20 30 BCEDRO COCCNC(=[NH2+])NCCc1ccco1 ZINC000303251953 644811935 /nfs/dbraw/zinc/81/19/35/644811935.db2.gz ATJHODRYQHMBNA-UHFFFAOYSA-N 1 0 211.265 0.373 20 30 BCEDRO CNC(NCCc1nnc2ccccn21)=[NH+]C ZINC000303251861 644812007 /nfs/dbraw/zinc/81/20/07/644812007.db2.gz APBDDFQQSCOPLM-UHFFFAOYSA-N 1 0 232.291 0.067 20 30 BCEDRO CNC(=[NH2+])NCc1cn2ccccc2n1 ZINC000303259948 644813474 /nfs/dbraw/zinc/81/34/74/644813474.db2.gz MLAQQRUFHZLNOJ-UHFFFAOYSA-N 1 0 203.249 0.368 20 30 BCEDRO CNC(NCCCNC(=O)c1ccccc1)=[NH+]C ZINC000303263127 644813579 /nfs/dbraw/zinc/81/35/79/644813579.db2.gz QMJXBZIPMUKKCF-UHFFFAOYSA-N 1 0 248.330 0.601 20 30 BCEDRO CCCNC(=O)CNC(=[NH2+])N[C@H](C)CC ZINC000303259484 644813658 /nfs/dbraw/zinc/81/36/58/644813658.db2.gz MBOPQVYZGBZGPP-MRVPVSSYSA-N 1 0 214.313 0.215 20 30 BCEDRO CNC(NCc1cccc([N+](=O)[O-])c1)=[NH+]C ZINC000303264318 644813763 /nfs/dbraw/zinc/81/37/63/644813763.db2.gz SDBHHNHIYBQHGE-UHFFFAOYSA-N 1 0 222.248 0.890 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCNC(=O)C1CC1 ZINC000303255766 644814037 /nfs/dbraw/zinc/81/40/37/644814037.db2.gz GVTWWBLAJAVHIQ-QMMMGPOBSA-N 1 0 226.324 0.215 20 30 BCEDRO CC#CC(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000801140781 644838123 /nfs/dbraw/zinc/83/81/23/644838123.db2.gz ADRIBNLEFGQNAG-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCC(C)C ZINC000303709791 644840005 /nfs/dbraw/zinc/84/00/05/644840005.db2.gz OAOSYRBSPQOPPG-SECBINFHSA-N 1 0 201.314 0.972 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCCCN1CCCC1=O ZINC000303711326 644840706 /nfs/dbraw/zinc/84/07/06/644840706.db2.gz PFVROPDDDCASMK-UHFFFAOYSA-N 1 0 240.351 0.702 20 30 BCEDRO [NH2+]=C(NCCCn1cccn1)NCC1CCC1 ZINC000303771109 644844324 /nfs/dbraw/zinc/84/43/24/644844324.db2.gz CLAIURFIQIBOIL-UHFFFAOYSA-N 1 0 235.335 0.978 20 30 BCEDRO C[C@H](C#N)OCCN1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000801940679 644845195 /nfs/dbraw/zinc/84/51/95/644845195.db2.gz PPKLQXMVDVVRIE-GRYCIOLGSA-N 1 0 225.336 0.939 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCCOCC(C)C ZINC000303779581 644846260 /nfs/dbraw/zinc/84/62/60/644846260.db2.gz KQXJCXQWFVUSRP-NSHDSACASA-N 1 0 245.367 0.988 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCC(=O)N(C)C ZINC000303792165 644847504 /nfs/dbraw/zinc/84/75/04/644847504.db2.gz YEQRINDNRHBJOO-UHFFFAOYSA-N 1 0 214.313 0.025 20 30 BCEDRO CCN(CC)c1ncc(C=NNC(N)=[NH2+])s1 ZINC000252447074 644851219 /nfs/dbraw/zinc/85/12/19/644851219.db2.gz FRXWJLBVZFHTIR-UHFFFAOYSA-N 1 0 240.336 0.806 20 30 BCEDRO NC(=[NH2+])NN=Cc1cn2ccccc2n1 ZINC000252453172 644852109 /nfs/dbraw/zinc/85/21/09/644852109.db2.gz BYVQDBLIZKPGGO-UHFFFAOYSA-N 1 0 202.221 0.151 20 30 BCEDRO NC(=[NH2+])NN=Cc1cnn(-c2ccccc2)c1 ZINC000252453460 644852666 /nfs/dbraw/zinc/85/26/66/644852666.db2.gz KVOFIJXLRLLWRP-UHFFFAOYSA-N 1 0 228.259 0.689 20 30 BCEDRO [NH2+]=C(NCc1cc[nH]n1)N1CCSCC1 ZINC000303882799 644854068 /nfs/dbraw/zinc/85/40/68/644854068.db2.gz LVMSJXFZKODQQA-UHFFFAOYSA-N 1 0 225.321 0.273 20 30 BCEDRO CCCNC(=[NH2+])NCCCCC(=O)OC ZINC000303888735 644854655 /nfs/dbraw/zinc/85/46/55/644854655.db2.gz PBGQSIFKYMXMHD-UHFFFAOYSA-N 1 0 215.297 0.644 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](C)Cn1cccn1 ZINC000303896547 644856665 /nfs/dbraw/zinc/85/66/65/644856665.db2.gz UOXVGYMYRWDWGJ-NSHDSACASA-N 1 0 235.335 1.000 20 30 BCEDRO C#CCC(CC#C)C(=O)NCC[NH+]1CCC1 ZINC000807137928 644859982 /nfs/dbraw/zinc/85/99/82/644859982.db2.gz HXPCYPJSQKHWMU-UHFFFAOYSA-N 1 0 218.300 0.471 20 30 BCEDRO COC(=O)[C@H](C)CNC(=[NH2+])NC(C)C ZINC000303973465 644860554 /nfs/dbraw/zinc/86/05/54/644860554.db2.gz GXVFKTHAWDOZDC-SSDOTTSWSA-N 1 0 201.270 0.108 20 30 BCEDRO COC(=O)[C@@H](C)CNC(=[NH2+])N1CCCCC1 ZINC000303975123 644861794 /nfs/dbraw/zinc/86/17/94/644861794.db2.gz IOOLOKYEYZZZCN-VIFPVBQESA-N 1 0 227.308 0.596 20 30 BCEDRO CCCCNC(=[NH2+])NCCN(C)CCOC ZINC000303987781 644864107 /nfs/dbraw/zinc/86/41/07/644864107.db2.gz VTRGCMDCBNWAAB-UHFFFAOYSA-N 1 0 230.356 0.269 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H](C)Cn1cccn1 ZINC000304206200 644876995 /nfs/dbraw/zinc/87/69/95/644876995.db2.gz CXIHWNNLKDVUDC-GHMZBOCLSA-N 1 0 222.292 0.790 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000304209897 644877112 /nfs/dbraw/zinc/87/71/12/644877112.db2.gz DUZPDWHVNGRQPN-GXSJLCMTSA-N 1 0 225.292 0.112 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@](C)(C(N)=O)C1 ZINC000304209900 644877419 /nfs/dbraw/zinc/87/74/19/644877419.db2.gz DUZPDWHVNGRQPN-ONGXEEELSA-N 1 0 225.292 0.112 20 30 BCEDRO COC(=O)C1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000304224988 644878980 /nfs/dbraw/zinc/87/89/80/644878980.db2.gz ITSMWZSWIBLEDQ-JTQLQIEISA-N 1 0 240.303 0.800 20 30 BCEDRO C[C@@H](C#N)OCCN1CCNC(=O)C1(C)C ZINC000304250416 644882534 /nfs/dbraw/zinc/88/25/34/644882534.db2.gz QUYKDTWPVDQCMG-VIFPVBQESA-N 1 0 225.292 0.125 20 30 BCEDRO C[C@H](C#N)OCCN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000304262409 644884282 /nfs/dbraw/zinc/88/42/82/644884282.db2.gz UDYLSHDSBMUULI-GRYCIOLGSA-N 1 0 225.336 0.939 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](CCO)CC(C)C ZINC000304643876 644924168 /nfs/dbraw/zinc/92/41/68/644924168.db2.gz DLIJXZHVLJKQFE-JTQLQIEISA-N 1 0 215.341 0.955 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H](OC)C(C)(C)C ZINC000304699497 644927465 /nfs/dbraw/zinc/92/74/65/644927465.db2.gz JCLMDYAKKJGSSE-ZJUUUORDSA-N 1 0 245.367 0.987 20 30 BCEDRO CN(C)C(=[NH+]CCOc1cccnc1)N(C)C ZINC000304751996 644929971 /nfs/dbraw/zinc/92/99/71/644929971.db2.gz JUJSWQSUJHFCSP-UHFFFAOYSA-N 1 0 236.319 0.940 20 30 BCEDRO CCCCNC(=[NH2+])NCCOC[C@H]1CCCO1 ZINC000304761367 644930778 /nfs/dbraw/zinc/93/07/78/644930778.db2.gz UJBSJWDZIWUPHV-LLVKDONJSA-N 1 0 243.351 0.886 20 30 BCEDRO [NH2+]=C(NCC1(O)CCC1)N1CCCCC1 ZINC000304763434 644932111 /nfs/dbraw/zinc/93/21/11/644932111.db2.gz WUJZBOCCTZPAKX-UHFFFAOYSA-N 1 0 211.309 0.702 20 30 BCEDRO CCC[C@@H](CCO)CNC(=[NH2+])N1CCOCC1 ZINC000304789065 644932117 /nfs/dbraw/zinc/93/21/17/644932117.db2.gz JRQXLMSSIQZMAC-NSHDSACASA-N 1 0 243.351 0.432 20 30 BCEDRO CCOC(=O)c1ccc(CNC(NC)=[NH+]C)o1 ZINC000304770563 644933309 /nfs/dbraw/zinc/93/33/09/644933309.db2.gz BNTGIAFTCKRAHK-UHFFFAOYSA-N 1 0 239.275 0.751 20 30 BCEDRO CCNC(NCCCO[C@@H]1CCOC1)=[NH+]CC ZINC000304994786 644943088 /nfs/dbraw/zinc/94/30/88/644943088.db2.gz FIWSINMOMDPXKL-LLVKDONJSA-N 1 0 243.351 0.757 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C(F)F)C1 ZINC000815078648 644951241 /nfs/dbraw/zinc/95/12/41/644951241.db2.gz FCBABOCYCDDBAH-SECBINFHSA-N 1 0 230.258 0.713 20 30 BCEDRO CCCCOC[C@@H](O)C[NH2+]CCC#N ZINC000819270066 645009310 /nfs/dbraw/zinc/00/93/10/645009310.db2.gz SHTYJUFPXICEDG-JTQLQIEISA-N 1 0 200.282 0.667 20 30 BCEDRO CC(C)C#CC(=O)NCC[N@H+](C)C1CC1 ZINC000823613685 645047712 /nfs/dbraw/zinc/04/77/12/645047712.db2.gz QABSTFVJNSFLEO-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827321707 645077804 /nfs/dbraw/zinc/07/78/04/645077804.db2.gz WFBTZKXGXIUTKM-NWDGAFQWSA-N 1 0 238.331 0.742 20 30 BCEDRO Cn1cnc(/C=C\C(=O)NCC#CC[NH+](C)C)c1 ZINC000827971642 645089222 /nfs/dbraw/zinc/08/92/22/645089222.db2.gz CPMVLYDUWAGJDL-SREVYHEPSA-N 1 0 246.314 0.115 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829998487 645112910 /nfs/dbraw/zinc/11/29/10/645112910.db2.gz MKUBPBZBXYQFSC-MNOVXSKESA-N 1 0 223.276 0.266 20 30 BCEDRO C#CCCC[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000830292839 645118360 /nfs/dbraw/zinc/11/83/60/645118360.db2.gz SFSHWHGFXATWJW-OLZOCXBDSA-N 1 0 222.332 0.805 20 30 BCEDRO C#CC1CC[NH+](CC(=O)NC2CC2)CC1 ZINC000830300883 645119193 /nfs/dbraw/zinc/11/91/93/645119193.db2.gz BYSPBSZJHKGCFO-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO Cc1ncsc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834521346 645143122 /nfs/dbraw/zinc/14/31/22/645143122.db2.gz GVTZNPVVDFYISS-HTQZYQBOSA-N 1 0 236.300 0.293 20 30 BCEDRO Cc1ncccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834484265 645143237 /nfs/dbraw/zinc/14/32/37/645143237.db2.gz GMPSYEZJJXRLQS-GXSJLCMTSA-N 1 0 230.271 0.231 20 30 BCEDRO CC(C)C#CC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000834652045 645149203 /nfs/dbraw/zinc/14/92/03/645149203.db2.gz IHAOWFKHCHDNDR-TXEJJXNPSA-N 1 0 220.316 0.666 20 30 BCEDRO CC(C)CNC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000841506951 645216950 /nfs/dbraw/zinc/21/69/50/645216950.db2.gz MJHDNCMUPMFXRT-RKDXNWHRSA-N 1 0 210.281 0.053 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000843077337 645260818 /nfs/dbraw/zinc/26/08/18/645260818.db2.gz NKNZRNYSZODUJK-CMPLNLGQSA-N 1 0 238.262 0.228 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926545287 645268939 /nfs/dbraw/zinc/26/89/39/645268939.db2.gz JGAUWBPWUQPABV-ZJUUUORDSA-N 1 0 224.308 0.793 20 30 BCEDRO C=CC[C@H](NC(=O)C[NH3+])c1ccncc1 ZINC000844184531 645316706 /nfs/dbraw/zinc/31/67/06/645316706.db2.gz SMWZBJREDIPVMW-JTQLQIEISA-N 1 0 205.261 0.774 20 30 BCEDRO C[C@@H]1OC[C@@H]([NH+]2CCN(CCC#N)CC2)[C@@H]1C ZINC000926808447 645438952 /nfs/dbraw/zinc/43/89/52/645438952.db2.gz QHOPEVOGSVSYFR-FRRDWIJNSA-N 1 0 237.347 0.941 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1ccoc1 ZINC000849329483 645449364 /nfs/dbraw/zinc/44/93/64/645449364.db2.gz SLTCWFZKAJVTKH-UHFFFAOYSA-N 1 0 220.272 0.551 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)c1cnnn1C ZINC000926866956 645462355 /nfs/dbraw/zinc/46/23/55/645462355.db2.gz ZTKGIZWUKLJROB-NXEZZACHSA-N 1 0 224.308 0.793 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927696993 645639830 /nfs/dbraw/zinc/63/98/30/645639830.db2.gz HEEHRFMUDQWOMG-CYBMUJFWSA-N 1 0 249.314 0.701 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249.358 0.293 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928436928 645758093 /nfs/dbraw/zinc/75/80/93/645758093.db2.gz WINCNBCFYMCXSH-YWVKMMECSA-N 1 0 212.293 0.132 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928439605 645764101 /nfs/dbraw/zinc/76/41/01/645764101.db2.gz JEXOSUPPLLBFAX-NHCYSSNCSA-N 1 0 226.320 0.522 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)NCCC#N)CC[C@@H]21 ZINC000875540876 645779126 /nfs/dbraw/zinc/77/91/26/645779126.db2.gz MRGJPDNDTOKDKY-MNOVXSKESA-N 1 0 236.319 0.636 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)C(F)F)C[C@H]1C ZINC000946946560 645830684 /nfs/dbraw/zinc/83/06/84/645830684.db2.gz OFAVLIFRGAQMND-BDAKNGLRSA-N 1 0 230.258 0.854 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C2CC2)C[C@@H]1C ZINC000946958325 645847272 /nfs/dbraw/zinc/84/72/72/645847272.db2.gz YDMUUAZUOBJXHC-CMPLNLGQSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)C2CC2)C[C@H]1C ZINC000946958327 645847375 /nfs/dbraw/zinc/84/73/75/645847375.db2.gz YDMUUAZUOBJXHC-PWSUYJOCSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000883124060 645848959 /nfs/dbraw/zinc/84/89/59/645848959.db2.gz UTSKRMLZGZPXHR-LLVKDONJSA-N 1 0 234.303 0.016 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2cc(F)c[nH]2)CC1 ZINC000928651102 645852158 /nfs/dbraw/zinc/85/21/58/645852158.db2.gz MPJWEDLRDPPHGN-UHFFFAOYSA-N 1 0 249.289 0.981 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@H](O)/C=C/C)CC1 ZINC000928649256 645852244 /nfs/dbraw/zinc/85/22/44/645852244.db2.gz WUYVVPLIPSKIJD-OGOUPESXSA-N 1 0 236.315 0.137 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](CC)CO)CC1 ZINC000928649415 645852273 /nfs/dbraw/zinc/85/22/73/645852273.db2.gz KMHDKXNKARYEND-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](O)/C=C/C)CC1 ZINC000928649257 645852914 /nfs/dbraw/zinc/85/29/14/645852914.db2.gz WUYVVPLIPSKIJD-PYEVWLCESA-N 1 0 236.315 0.137 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N[C@H](CC#N)C(F)(F)F)C1 ZINC000928802341 645860456 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N#CCCN1CC[NH+](CCOC2CC2)CC1 ZINC000930116653 646439995 /nfs/dbraw/zinc/43/99/95/646439995.db2.gz NPULDVIWFXKKPG-UHFFFAOYSA-N 1 0 223.320 0.697 20 30 BCEDRO CC[C@H](CO)[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000930113215 646441614 /nfs/dbraw/zinc/44/16/14/646441614.db2.gz BVKUKYYLDULGHW-CHWSQXEVSA-N 1 0 239.363 0.923 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000930142381 646455141 /nfs/dbraw/zinc/45/51/41/646455141.db2.gz KHHMMHCFGBECCY-MNOVXSKESA-N 1 0 224.304 0.230 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+](C)CCc1cnccn1 ZINC000930169663 646471203 /nfs/dbraw/zinc/47/12/03/646471203.db2.gz FCSRFTKPMOMHRD-LBPRGKRZSA-N 1 0 221.304 0.888 20 30 BCEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1C[C@H](O)CC#N ZINC000930178419 646481058 /nfs/dbraw/zinc/48/10/58/646481058.db2.gz YQPFAPMMMTXWDR-GMTAPVOTSA-N 1 0 211.309 0.285 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000925979754 646551142 /nfs/dbraw/zinc/55/11/42/646551142.db2.gz QHHYUJILYYSODM-XSRFYTQQSA-N 1 0 238.331 0.836 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CN2C[C@@H]1CCC2)[C@@H]1CCCO1 ZINC000926209393 646595448 /nfs/dbraw/zinc/59/54/48/646595448.db2.gz DUUHEXPCHVYTID-FQUUOJAGSA-N 1 0 234.343 0.851 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@H]1C[C@@H](C)n2ncnc21 ZINC000926491660 646660941 /nfs/dbraw/zinc/66/09/41/646660941.db2.gz YUNORQSHYVPTBX-NEPJUHHUSA-N 1 0 247.346 0.829 20 30 BCEDRO C[C@@]1(O)CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721539674 711620730 /nfs/dbraw/zinc/62/07/30/711620730.db2.gz IDDTYFCGRGRQON-GFCCVEGCSA-N 1 0 217.272 0.910 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)COC)[C@@H]2C1 ZINC001075465364 711623074 /nfs/dbraw/zinc/62/30/74/711623074.db2.gz STYFUHJXQLOXHH-NWDGAFQWSA-N 1 0 236.315 0.189 20 30 BCEDRO C[C@H]1C[N@H+](Cc2cncc(C#N)c2)C[C@@H]1O ZINC000721556818 711624906 /nfs/dbraw/zinc/62/49/06/711624906.db2.gz MQNMNDIAQUFDMO-CABZTGNLSA-N 1 0 217.272 0.766 20 30 BCEDRO C=CCNC(=O)N(C)C1(C[NH3+])CCOCC1 ZINC000725007921 711643085 /nfs/dbraw/zinc/64/30/85/711643085.db2.gz WTDVQMUTXFJPMP-UHFFFAOYSA-N 1 0 227.308 0.322 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000381470863 711662948 /nfs/dbraw/zinc/66/29/48/711662948.db2.gz OJQRBKSBYNBZTR-GHMZBOCLSA-N 1 0 247.360 0.602 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)C2(C#N)CCC2)CC[N@@H+]1C ZINC000719354570 711669986 /nfs/dbraw/zinc/66/99/86/711669986.db2.gz NELWEWVUSRHQJB-UWVGGRQHSA-N 1 0 221.304 0.889 20 30 BCEDRO C=CCNC(=O)CNC(=O)CC[NH2+]C(C)(C)C ZINC000393818399 711678884 /nfs/dbraw/zinc/67/88/84/711678884.db2.gz HHGPDIWDLCHVGB-UHFFFAOYSA-N 1 0 241.335 0.183 20 30 BCEDRO C#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001038154879 711752991 /nfs/dbraw/zinc/75/29/91/711752991.db2.gz QDRLQWHZXWTPAP-NEPJUHHUSA-N 1 0 236.315 0.379 20 30 BCEDRO N#CCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000426432736 711764323 /nfs/dbraw/zinc/76/43/23/711764323.db2.gz YXXOZTGVULUQGJ-WDEREUQCSA-N 1 0 236.319 0.826 20 30 BCEDRO N#CCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000426432733 711764444 /nfs/dbraw/zinc/76/44/44/711764444.db2.gz YXXOZTGVULUQGJ-GHMZBOCLSA-N 1 0 236.319 0.826 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721831027 711778175 /nfs/dbraw/zinc/77/81/75/711778175.db2.gz DYTTVOZWJJXVJI-GHMZBOCLSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076660919 711807584 /nfs/dbraw/zinc/80/75/84/711807584.db2.gz IRWJYMCREAUQDA-VXGBXAGGSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2C[C@@H](C)CO2)C1 ZINC001031858155 711893614 /nfs/dbraw/zinc/89/36/14/711893614.db2.gz QJRRZCWQLIGJIN-ZYHUDNBSSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)C2CC2)C1 ZINC001032854205 711963392 /nfs/dbraw/zinc/96/33/92/711963392.db2.gz RDBSQBRUPAOCSX-LLVKDONJSA-N 1 0 206.289 0.562 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)C2CC2)C1 ZINC001032854601 711963860 /nfs/dbraw/zinc/96/38/60/711963860.db2.gz UWWNHJDTGSFOAT-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)CC2CC2)C1 ZINC001032859735 711964069 /nfs/dbraw/zinc/96/40/69/711964069.db2.gz YYJUGFBNTNMLGM-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000700445876 711995024 /nfs/dbraw/zinc/99/50/24/711995024.db2.gz OLVHHKLWKXSLJE-WOPDTQHZSA-N 1 0 238.331 0.075 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@H]1C=CCC1 ZINC000700562567 711996084 /nfs/dbraw/zinc/99/60/84/711996084.db2.gz OSBPEXDYFKHGHY-UWVGGRQHSA-N 1 0 207.277 0.842 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000703778121 712087400 /nfs/dbraw/zinc/08/74/00/712087400.db2.gz UQWWXIKOAXQUGV-GARJFASQSA-N 1 0 212.293 0.618 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000705371233 712130730 /nfs/dbraw/zinc/13/07/30/712130730.db2.gz LLZGUCSJDITNQT-VHSXEESVSA-N 1 0 207.277 0.453 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2CN(C(=O)COC)CC[C@H]21 ZINC001036607144 712200251 /nfs/dbraw/zinc/20/02/51/712200251.db2.gz SBLOGEQGADVWTJ-NWDGAFQWSA-N 1 0 236.315 0.189 20 30 BCEDRO C=C(Cl)CN1CCC[C@@H]([NH2+]CCO)C1 ZINC000708552123 712212942 /nfs/dbraw/zinc/21/29/42/712212942.db2.gz ZDPMZEOOMDZQHO-SNVBAGLBSA-N 1 0 218.728 0.785 20 30 BCEDRO C#CCCCS(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000710309445 712251624 /nfs/dbraw/zinc/25/16/24/712251624.db2.gz JSHVXKYUMUBDBG-LLVKDONJSA-N 1 0 246.376 0.517 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000710863388 712260224 /nfs/dbraw/zinc/26/02/24/712260224.db2.gz AJURSHMGPZSMNH-JTQLQIEISA-N 1 0 246.376 0.870 20 30 BCEDRO C#CCCS(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000711064905 712278126 /nfs/dbraw/zinc/27/81/26/712278126.db2.gz HSQQDXBZZGEVTR-SNVBAGLBSA-N 1 0 244.360 0.412 20 30 BCEDRO C#CCCS(=O)(=O)N[C@@H](C)C[NH+](CC)CC ZINC000711175165 712287867 /nfs/dbraw/zinc/28/78/67/712287867.db2.gz PWGQVVSUVKFWAM-NSHDSACASA-N 1 0 246.376 0.659 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000611194810 712345425 /nfs/dbraw/zinc/34/54/25/712345425.db2.gz QDUMIWWLJFOUOJ-NSHDSACASA-N 1 0 225.288 0.521 20 30 BCEDRO CC(C)[C@@H](CO)[NH2+]CCO[C@H](C)C#N ZINC000379482752 712385767 /nfs/dbraw/zinc/38/57/67/712385767.db2.gz CYLDLZAYXWMKAW-NXEZZACHSA-N 1 0 200.282 0.522 20 30 BCEDRO NC(=[NH2+])NN=C1CCc2c1cccc2F ZINC000379704455 712392720 /nfs/dbraw/zinc/39/27/20/712392720.db2.gz XAVBVOJPQUCZML-UHFFFAOYSA-N 1 0 206.224 0.959 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNc1ccnc(C#N)n1 ZINC000712571015 712447426 /nfs/dbraw/zinc/44/74/26/712447426.db2.gz UJYYRXCYFPARHO-VIFPVBQESA-N 1 0 217.276 0.276 20 30 BCEDRO N#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000715842035 712532923 /nfs/dbraw/zinc/53/29/23/712532923.db2.gz KAWCBPNYSYPRCH-UHFFFAOYSA-N 1 0 219.288 0.597 20 30 BCEDRO CN(CCC#N)C(=O)C12CC[NH+](CC1)C2 ZINC000715816438 712533374 /nfs/dbraw/zinc/53/33/74/712533374.db2.gz HDPVCMSMEFSJRR-UHFFFAOYSA-N 1 0 207.277 0.454 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H](C)c1cn(C)nn1 ZINC000715942481 712544558 /nfs/dbraw/zinc/54/45/58/712544558.db2.gz JOBVTZIPROVGFD-BDAKNGLRSA-N 1 0 210.281 0.403 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cn(C)nc1C ZINC000716928413 712596441 /nfs/dbraw/zinc/59/64/41/712596441.db2.gz IJZKJQYBNJVOSA-GFCCVEGCSA-N 1 0 221.304 0.856 20 30 BCEDRO C[C@H](C#N)OCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379905795 712623962 /nfs/dbraw/zinc/62/39/62/712623962.db2.gz IBKBQFVXUOMOCL-MXWKQRLJSA-N 1 0 209.293 0.066 20 30 BCEDRO C[C@H](O)[C@@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000717281673 712644611 /nfs/dbraw/zinc/64/46/11/712644611.db2.gz SWFNYDNAWYOILO-UWVGGRQHSA-N 1 0 214.309 0.648 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)c1ccccc1 ZINC000717456087 712658871 /nfs/dbraw/zinc/65/88/71/712658871.db2.gz ACSVJPOGIADKIF-NEPJUHHUSA-N 1 0 207.273 0.857 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000717436965 712657990 /nfs/dbraw/zinc/65/79/90/712657990.db2.gz BOWNHIFAKNAXAV-LBPRGKRZSA-N 1 0 241.237 0.584 20 30 BCEDRO C[NH+](C)CC#CCNc1ccc([N+](=O)[O-])nc1 ZINC000717605894 712662352 /nfs/dbraw/zinc/66/23/52/712662352.db2.gz LVCXCFQDQFBJGA-UHFFFAOYSA-N 1 0 234.259 0.967 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)c1ccccc1 ZINC000717531648 712660459 /nfs/dbraw/zinc/66/04/59/712660459.db2.gz HJMJZUBLJVXCQO-LBPRGKRZSA-N 1 0 205.257 0.305 20 30 BCEDRO CCNC(NCC1(CO)CCC1)=[NH+]CC ZINC000717658938 712663428 /nfs/dbraw/zinc/66/34/28/712663428.db2.gz SWHAUXNSYXOIJQ-UHFFFAOYSA-N 1 0 213.325 0.724 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000717732425 712667743 /nfs/dbraw/zinc/66/77/43/712667743.db2.gz ILAXFZGUWGJJNB-FDYHWXHSSA-N 1 0 241.331 0.543 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000717748878 712668807 /nfs/dbraw/zinc/66/88/07/712668807.db2.gz JWUTZKHFTYRYFV-LLVKDONJSA-N 1 0 235.283 0.875 20 30 BCEDRO CC#CCN(C)Cc1cc(C(=O)OC)no1 ZINC000930590130 712712825 /nfs/dbraw/zinc/71/28/25/712712825.db2.gz RENBPFJKQUHUAY-UHFFFAOYSA-N 1 0 222.244 0.916 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000718137598 712747581 /nfs/dbraw/zinc/74/75/81/712747581.db2.gz RQRMUFGBNYELTJ-BXKDBHETSA-N 1 0 241.237 0.582 20 30 BCEDRO C[C@H]1[C@H](NC(=O)C2(C#N)CCC2)CC[N@@H+]1C ZINC000719354579 712805577 /nfs/dbraw/zinc/80/55/77/712805577.db2.gz NELWEWVUSRHQJB-VHSXEESVSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@H]1[C@@H](Nc2ncncc2C#N)CC[N@@H+]1C ZINC000719605369 712816256 /nfs/dbraw/zinc/81/62/56/712816256.db2.gz XUWNIZISJMOQMP-WPRPVWTQSA-N 1 0 217.276 0.275 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nccnc2N)C1 ZINC000968027342 712897819 /nfs/dbraw/zinc/89/78/19/712897819.db2.gz KHNKRQNTPGQAKB-SECBINFHSA-N 1 0 247.302 0.049 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC)c2)C1 ZINC000968029284 712897916 /nfs/dbraw/zinc/89/79/16/712897916.db2.gz ZZENRRYAVKHVID-GFCCVEGCSA-N 1 0 248.330 0.893 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cccnc1 ZINC001038014297 712898401 /nfs/dbraw/zinc/89/84/01/712898401.db2.gz ASRGFSPLDGYKHV-ZDUSSCGKSA-N 1 0 243.310 0.909 20 30 BCEDRO COC[C@@H]([NH2+]CC(=O)NCCC#N)C1CC1 ZINC000381349475 710625544 /nfs/dbraw/zinc/62/55/44/710625544.db2.gz ARJJEYOWKBAMLZ-SNVBAGLBSA-N 1 0 225.292 0.031 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC1(Cl)Cl ZINC000381481149 710643765 /nfs/dbraw/zinc/64/37/65/710643765.db2.gz DJDMOEIFKJSCBE-QYNIQEEDSA-N 1 0 248.113 0.408 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cnccn1 ZINC001038020132 712898695 /nfs/dbraw/zinc/89/86/95/712898695.db2.gz FMJDAWPGFNSROD-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO CCC(C)(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000381554771 710654686 /nfs/dbraw/zinc/65/46/86/710654686.db2.gz OFPBPLWOLKBJCW-RKDXNWHRSA-N 1 0 209.293 0.650 20 30 BCEDRO CCCSCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000381622208 710663107 /nfs/dbraw/zinc/66/31/07/710663107.db2.gz CYDUWIXDWIQQAJ-DTWKUNHWSA-N 1 0 227.333 0.357 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001018710667 710668019 /nfs/dbraw/zinc/66/80/19/710668019.db2.gz UFWNTEILBJWFOM-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]c2C)C1 ZINC001018688599 710668111 /nfs/dbraw/zinc/66/81/11/710668111.db2.gz IFMOCINMIJAZFF-NSHDSACASA-N 1 0 231.299 0.760 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2coc(CC)n2)C1 ZINC001018747700 710669272 /nfs/dbraw/zinc/66/92/72/710669272.db2.gz KINPKIYZKVZHBA-JTQLQIEISA-N 1 0 247.298 0.674 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cncnc2)C1 ZINC001018749864 710669389 /nfs/dbraw/zinc/66/93/89/710669389.db2.gz BTEHYUYYDNYLHD-LBPRGKRZSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CCN1CC[C@@H]1CNC(=O)c1nn(C)cc1C ZINC001038249856 710680436 /nfs/dbraw/zinc/68/04/36/710680436.db2.gz RRDGGKIDYXGAQX-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)c1nn(C)cc1C ZINC001038246991 710680902 /nfs/dbraw/zinc/68/09/02/710680902.db2.gz BTMQFHNSPMACRG-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ncn(C)n1 ZINC001038224025 710681191 /nfs/dbraw/zinc/68/11/91/710681191.db2.gz FBTPXZRWTPLSJN-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001038272953 710682811 /nfs/dbraw/zinc/68/28/11/710682811.db2.gz ZGCAUDURQASLPV-OBJOEFQTSA-N 1 0 248.326 0.237 20 30 BCEDRO COC(=O)CC(C)(C)[NH2+]CCO[C@H](C)C#N ZINC000381721494 710683965 /nfs/dbraw/zinc/68/39/65/710683965.db2.gz LXPQDOJRMVGZQA-SECBINFHSA-N 1 0 228.292 0.846 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cncn1C ZINC001038478147 710688684 /nfs/dbraw/zinc/68/86/84/710688684.db2.gz SRYHIOQZWIBQFZ-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](COC)C(C)C ZINC000381742082 710694576 /nfs/dbraw/zinc/69/45/76/710694576.db2.gz PEFADDKSPGHFNV-LLVKDONJSA-N 1 0 249.376 0.848 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccnnc1 ZINC001038732047 710701465 /nfs/dbraw/zinc/70/14/65/710701465.db2.gz ISNHMFHMUOSTBL-LBPRGKRZSA-N 1 0 246.314 0.857 20 30 BCEDRO C#C[C@H]([NH2+]CCCC(=O)OC)[C@@H]1CCCO1 ZINC000381758739 710703482 /nfs/dbraw/zinc/70/34/82/710703482.db2.gz SXYPMDQCFXSEDM-QWRGUYRKSA-N 1 0 225.288 0.710 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)c1ccn(CC)n1 ZINC001038777828 710706224 /nfs/dbraw/zinc/70/62/24/710706224.db2.gz CMBYQBDKPLFCQT-LLVKDONJSA-N 1 0 248.330 0.893 20 30 BCEDRO C#CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C1CC1 ZINC001038801387 710706851 /nfs/dbraw/zinc/70/68/51/710706851.db2.gz YPFQPVQSBOZJFV-FRRDWIJNSA-N 1 0 232.327 0.856 20 30 BCEDRO CC#CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039027155 710716876 /nfs/dbraw/zinc/71/68/76/710716876.db2.gz JDAKWVLZPMYRPT-OLZOCXBDSA-N 1 0 249.358 0.152 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)[C@@H](C)C1 ZINC001044780220 710830795 /nfs/dbraw/zinc/83/07/95/710830795.db2.gz DEZVGTGFFBEVAB-VHSXEESVSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000393818697 710800045 /nfs/dbraw/zinc/80/00/45/710800045.db2.gz HURZZHHRVDZQEB-GHMZBOCLSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnon2)[C@H](C)C1 ZINC001044786496 710830881 /nfs/dbraw/zinc/83/08/81/710830881.db2.gz BVOXNPKCJAXDOL-ZJUUUORDSA-N 1 0 248.286 0.286 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCOCC(=O)OCC ZINC000384181103 710807575 /nfs/dbraw/zinc/80/75/75/710807575.db2.gz QBPILLZVILVRKR-GFCCVEGCSA-N 1 0 227.304 0.958 20 30 BCEDRO C=CCC[NH+]1CC(N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001044093515 710820389 /nfs/dbraw/zinc/82/03/89/710820389.db2.gz WXWGCSYFEHBHNJ-UHFFFAOYSA-N 1 0 248.330 0.671 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(F)F)[C@H](C)C1 ZINC001044393536 710824424 /nfs/dbraw/zinc/82/44/24/710824424.db2.gz LRHAWIDFQPVBTI-BDAKNGLRSA-N 1 0 230.258 0.854 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)COC)[C@@H](C)C1 ZINC001044395539 710824545 /nfs/dbraw/zinc/82/45/45/710824545.db2.gz AURVGNCAYQBABT-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccon2)[C@H](C)C1 ZINC001044481396 710828528 /nfs/dbraw/zinc/82/85/28/710828528.db2.gz GALXTZRKQDLEBY-MNOVXSKESA-N 1 0 247.298 0.891 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)[C@@H](C)C1 ZINC001044478106 710828705 /nfs/dbraw/zinc/82/87/05/710828705.db2.gz LIQUASPRSORNRX-QWRGUYRKSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1ncnn1CC ZINC000383026902 710841217 /nfs/dbraw/zinc/84/12/17/710841217.db2.gz XQVKYOAYWHTFJF-UHFFFAOYSA-N 1 0 235.335 0.343 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001046123132 710849742 /nfs/dbraw/zinc/84/97/42/710849742.db2.gz QGXWYPGLDKUNAF-AAEUAGOBSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001046124594 710850255 /nfs/dbraw/zinc/85/02/55/710850255.db2.gz XLWKBWRGRPTYIZ-AAEUAGOBSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2cnc(C)[nH]2)C1 ZINC001046195103 710853620 /nfs/dbraw/zinc/85/36/20/710853620.db2.gz KUUREKSINQPQOO-CYBMUJFWSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2cn(C)cn2)C1 ZINC001046239010 710857036 /nfs/dbraw/zinc/85/70/36/710857036.db2.gz MVDIMDDISNNMHR-ZDUSSCGKSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046286253 710858813 /nfs/dbraw/zinc/85/88/13/710858813.db2.gz UNSDXUZFELFYFZ-LBPRGKRZSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)c2c[nH]nc2C)C1 ZINC001046526036 710862154 /nfs/dbraw/zinc/86/21/54/710862154.db2.gz NKCJSNADSQNBJP-ZDUSSCGKSA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001046549657 710862237 /nfs/dbraw/zinc/86/22/37/710862237.db2.gz IZZBWDOBYVQRAM-GVXVVHGQSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(F)F)C1 ZINC001047271425 710869764 /nfs/dbraw/zinc/86/97/64/710869764.db2.gz MLOPHVYTVXWDPW-IUCAKERBSA-N 1 0 248.273 0.331 20 30 BCEDRO C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C(C)(F)F)C1 ZINC001047275117 710870367 /nfs/dbraw/zinc/87/03/67/710870367.db2.gz XAEZZEQJTWBZLJ-IUCAKERBSA-N 1 0 248.273 0.331 20 30 BCEDRO C=CCN1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047272662 710870531 /nfs/dbraw/zinc/87/05/31/710870531.db2.gz IEALAWVRKJUDDJ-QWRGUYRKSA-N 1 0 224.304 0.086 20 30 BCEDRO C=CC[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC001048810132 710888282 /nfs/dbraw/zinc/88/82/82/710888282.db2.gz GCYIBDKIAOTEHU-OKILXGFUSA-N 1 0 244.338 0.976 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@@H]1C ZINC001054305494 710926844 /nfs/dbraw/zinc/92/68/44/710926844.db2.gz KRPLQUCYEAGFDI-JGVFFNPUSA-N 1 0 218.247 0.874 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)C(F)F)C[C@H]1C ZINC001054305495 710926872 /nfs/dbraw/zinc/92/68/72/710926872.db2.gz KRPLQUCYEAGFDI-SFYZADRCSA-N 1 0 218.247 0.874 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COC)C[C@H]1C ZINC001054304198 710927103 /nfs/dbraw/zinc/92/71/03/710927103.db2.gz WPNOJHLUVPVLIX-PSASIEDQSA-N 1 0 246.738 0.822 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)C(F)F)C[C@@H]1C ZINC001054305496 710927266 /nfs/dbraw/zinc/92/72/66/710927266.db2.gz KRPLQUCYEAGFDI-YUMQZZPRSA-N 1 0 218.247 0.874 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@H]1C ZINC001054305493 710927291 /nfs/dbraw/zinc/92/72/91/710927291.db2.gz KRPLQUCYEAGFDI-HTQZYQBOSA-N 1 0 218.247 0.874 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C(C)(C)F)C[C@H]1C ZINC001054315272 710928156 /nfs/dbraw/zinc/92/81/56/710928156.db2.gz FDHFYVKFNVVBSQ-ZJUUUORDSA-N 1 0 226.295 0.804 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2CCC2)C[C@@H]1C ZINC001054315036 710928337 /nfs/dbraw/zinc/92/83/37/710928337.db2.gz ZCGXHUCWHUUKQR-CMPLNLGQSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C2CCC2)C[C@H]1C ZINC001054315039 710928583 /nfs/dbraw/zinc/92/85/83/710928583.db2.gz ZCGXHUCWHUUKQR-PWSUYJOCSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)CCC)C[C@@H]1C ZINC001054325256 710929611 /nfs/dbraw/zinc/92/96/11/710929611.db2.gz YMEOTFOGPNBGCF-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cnccn2)C[C@@H]1C ZINC001054344166 710930333 /nfs/dbraw/zinc/93/03/33/710930333.db2.gz AXMSZRBRSNNJSE-JQWIXIFHSA-N 1 0 244.298 0.160 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cnn(C)c2)C[C@@H]1C ZINC001054374646 710931238 /nfs/dbraw/zinc/93/12/38/710931238.db2.gz RTIMDWMMLAZECK-JQWIXIFHSA-N 1 0 248.330 0.656 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2ccon2)C[C@@H]1C ZINC001054431903 710934787 /nfs/dbraw/zinc/93/47/87/710934787.db2.gz XVPQMUBEWQIYEP-ONGXEEELSA-N 1 0 235.287 0.911 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2=COCCC2)C[C@@H]1C ZINC001054461836 710935319 /nfs/dbraw/zinc/93/53/19/710935319.db2.gz FTAYYUDGMHLOAA-WCQYABFASA-N 1 0 248.326 0.750 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1C ZINC001054482619 710935878 /nfs/dbraw/zinc/93/58/78/710935878.db2.gz NHILFEMPTHZNMJ-CMPLNLGQSA-N 1 0 247.298 0.287 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@H]1C ZINC001054482624 710936510 /nfs/dbraw/zinc/93/65/10/710936510.db2.gz NHILFEMPTHZNMJ-ZYHUDNBSSA-N 1 0 247.298 0.287 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C ZINC001054498795 710936571 /nfs/dbraw/zinc/93/65/71/710936571.db2.gz DNQDLOUGTCSJMX-ZYHUDNBSSA-N 1 0 246.314 0.022 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1C ZINC001054554141 710938162 /nfs/dbraw/zinc/93/81/62/710938162.db2.gz BBIJWXJWVCVTNS-QWRGUYRKSA-N 1 0 248.330 0.656 20 30 BCEDRO CC[NH2+][C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001054566278 710938312 /nfs/dbraw/zinc/93/83/12/710938312.db2.gz AFMFEWITCSFSPL-SKDRFNHKSA-N 1 0 246.314 0.956 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C ZINC001054620643 710939798 /nfs/dbraw/zinc/93/97/98/710939798.db2.gz QLJGKWSTNIKJIR-UWVGGRQHSA-N 1 0 249.318 0.051 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C ZINC001054656879 710940192 /nfs/dbraw/zinc/94/01/92/710940192.db2.gz LTFSTINLDPJLRJ-MNOVXSKESA-N 1 0 248.330 0.954 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001054637124 710940762 /nfs/dbraw/zinc/94/07/62/710940762.db2.gz LZRQBRBTUVFSST-DGCLKSJQSA-N 1 0 230.311 0.470 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C ZINC001054954053 710942375 /nfs/dbraw/zinc/94/23/75/710942375.db2.gz NCVPETPGTGUFSM-BXKDBHETSA-N 1 0 248.330 0.954 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@H]1C ZINC001054866973 710942405 /nfs/dbraw/zinc/94/24/05/710942405.db2.gz PCWARLMNYIVGCJ-GHMZBOCLSA-N 1 0 248.330 0.656 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cnco2)C[C@H]1C ZINC001054947047 710942687 /nfs/dbraw/zinc/94/26/87/710942687.db2.gz WDLUAKZQQZYGTG-NXEZZACHSA-N 1 0 233.271 0.358 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cnco2)C[C@@H]1C ZINC001054946380 710942832 /nfs/dbraw/zinc/94/28/32/710942832.db2.gz MQGGSYSMUPGBTH-VHSXEESVSA-N 1 0 235.287 0.911 20 30 BCEDRO C#CCC[NH+]1CCN([C@H]2CCN(C(C)=O)C2)CC1 ZINC001051963575 710960353 /nfs/dbraw/zinc/96/03/53/710960353.db2.gz XMFGNAGOYCVBHR-AWEZNQCLSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)c2ncc[nH]2)CC1 ZINC001052367865 710963141 /nfs/dbraw/zinc/96/31/41/710963141.db2.gz CLXTYNVTTUWRPJ-NSHDSACASA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052517939 710963748 /nfs/dbraw/zinc/96/37/48/710963748.db2.gz CJRYGOGFEYKUPM-JTQLQIEISA-N 1 0 247.302 0.022 20 30 BCEDRO C=C1CCN(C(=O)[C@@H]([NH3+])CCOC)CC1 ZINC000382557656 710972587 /nfs/dbraw/zinc/97/25/87/710972587.db2.gz NJUCXGJFDQKVPB-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](SC)C1 ZINC000382994324 710976621 /nfs/dbraw/zinc/97/66/21/710976621.db2.gz ZMQMXCWZPYUFJH-VIFPVBQESA-N 1 0 212.318 0.173 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@](C)(C#C)CC ZINC000384144753 710990372 /nfs/dbraw/zinc/99/03/72/710990372.db2.gz FFTXIBCOZQJVCL-ZYHUDNBSSA-N 1 0 206.289 0.516 20 30 BCEDRO CCC[N@H+](CCO[C@H](C)C#N)CC(=O)N(C)C ZINC000384139216 710990590 /nfs/dbraw/zinc/99/05/90/710990590.db2.gz MKCWPNPJBMNTEU-LLVKDONJSA-N 1 0 241.335 0.715 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NCCCOC ZINC000384139907 710990676 /nfs/dbraw/zinc/99/06/76/710990676.db2.gz FOWSQGDCRSFYAX-GFCCVEGCSA-N 1 0 226.320 0.531 20 30 BCEDRO C#C[C@@](C)(CC)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000384139790 710990803 /nfs/dbraw/zinc/99/08/03/710990803.db2.gz FMKMIZXYJKJJLG-STQMWFEESA-N 1 0 224.348 0.833 20 30 BCEDRO C[C@@H](C#N)OCCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384881464 710999762 /nfs/dbraw/zinc/99/97/62/710999762.db2.gz JXLTXULKGCEWHN-NNYUYHANSA-N 1 0 223.320 0.407 20 30 BCEDRO C#CCSCCNC1=[NH+]CCCN1C ZINC000386429458 711029532 /nfs/dbraw/zinc/02/95/32/711029532.db2.gz LEXDPFPBDAKMLL-UHFFFAOYSA-N 1 0 211.334 0.634 20 30 BCEDRO C#C[C@@](C)(CC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000387182289 711041041 /nfs/dbraw/zinc/04/10/41/711041041.db2.gz DSIXRZJHCSDMCE-PWSUYJOCSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]([NH3+])CC1CC1 ZINC000388898472 711070284 /nfs/dbraw/zinc/07/02/84/711070284.db2.gz MWQDAJDLPBYPCH-MRVPVSSYSA-N 1 0 202.685 0.983 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069884424 711077703 /nfs/dbraw/zinc/07/77/03/711077703.db2.gz KCGMUJGSYGNAHY-NEPJUHHUSA-N 1 0 249.318 0.216 20 30 BCEDRO C#CCCC[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000389862591 711093511 /nfs/dbraw/zinc/09/35/11/711093511.db2.gz FFNRGBFQUQCSBQ-GHMZBOCLSA-N 1 0 208.305 0.904 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@H]1CCSC1 ZINC000389905749 711097283 /nfs/dbraw/zinc/09/72/83/711097283.db2.gz GWFDTRGXTSASFL-JTQLQIEISA-N 1 0 249.401 0.930 20 30 BCEDRO C#C[C@H]([NH2+]CCN1CCCC1)[C@@H]1CCCO1 ZINC000390369988 711114113 /nfs/dbraw/zinc/11/41/13/711114113.db2.gz VKFGSWKHDCUCGI-STQMWFEESA-N 1 0 222.332 0.853 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1cnn(CCOC)c1 ZINC000393630158 711167258 /nfs/dbraw/zinc/16/72/58/711167258.db2.gz IICJAPIIISZQRO-JTQLQIEISA-N 1 0 207.277 0.641 20 30 BCEDRO C[C@H](C#N)OCCN1CC[N@H+](C)[C@@H](C)C1 ZINC000393726524 711171690 /nfs/dbraw/zinc/17/16/90/711171690.db2.gz DAUUFQWYNSSGFC-WDEREUQCSA-N 1 0 211.309 0.551 20 30 BCEDRO C[C@H](C#N)OCCN1CC[N@H+](C)[C@H](C)C1 ZINC000393726521 711171826 /nfs/dbraw/zinc/17/18/26/711171826.db2.gz DAUUFQWYNSSGFC-GHMZBOCLSA-N 1 0 211.309 0.551 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000393775717 711173579 /nfs/dbraw/zinc/17/35/79/711173579.db2.gz KKJAZDDTWDCREJ-LLVKDONJSA-N 1 0 223.320 0.792 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H]1OC ZINC000393834183 711176756 /nfs/dbraw/zinc/17/67/56/711176756.db2.gz ONJUVHBZNWEVMN-VHSXEESVSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCNC(=O)CNC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000393835036 711177221 /nfs/dbraw/zinc/17/72/21/711177221.db2.gz MUCCRUAVXJTEFF-YOGCLGLASA-N 1 0 237.347 0.503 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000393863171 711178377 /nfs/dbraw/zinc/17/83/77/711178377.db2.gz LHYJMVCXPNWLES-CKYFFXLPSA-N 1 0 242.319 0.071 20 30 BCEDRO C#CCC[N@H+]1C[C@H](NC(C)=O)CC[C@@H]1C ZINC001071285973 711184758 /nfs/dbraw/zinc/18/47/58/711184758.db2.gz NYBKXBBPUHGACO-CMPLNLGQSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[N@H+]1C[C@H](NC(=O)c2cn[nH]n2)CC[C@H]1C ZINC001071634999 711197537 /nfs/dbraw/zinc/19/75/37/711197537.db2.gz MBDDQLAMDRNWLT-NXEZZACHSA-N 1 0 249.318 0.573 20 30 BCEDRO CCNC(NCCC[S@@](C)=O)=[NH+]CC ZINC000395550721 711212889 /nfs/dbraw/zinc/21/28/89/711212889.db2.gz TUBXGNIFKAFXLP-CQSZACIVSA-N 1 0 219.354 0.330 20 30 BCEDRO CCNC(NC[C@@H](C)CCCO)=[NH+]CC ZINC000395562534 711213333 /nfs/dbraw/zinc/21/33/33/711213333.db2.gz HENZRYGZSJAZPV-JTQLQIEISA-N 1 0 215.341 0.970 20 30 BCEDRO CCNC(NCc1nncn1CC)=[NH+]CC ZINC000395594086 711213582 /nfs/dbraw/zinc/21/35/82/711213582.db2.gz LMAUDZCWTJVRGI-UHFFFAOYSA-N 1 0 224.312 0.373 20 30 BCEDRO CCNC(NCCC[C@@H](C)O)=[NH+]CC ZINC000395832790 711216775 /nfs/dbraw/zinc/21/67/75/711216775.db2.gz YSJBCYQPJKIXCC-SECBINFHSA-N 1 0 201.314 0.722 20 30 BCEDRO CCNC(NCCCn1cncn1)=[NH+]CC ZINC000395974799 711219061 /nfs/dbraw/zinc/21/90/61/711219061.db2.gz ONEHDLKIQCYPAP-UHFFFAOYSA-N 1 0 224.312 0.243 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccnc(C)n1 ZINC000396423818 711220438 /nfs/dbraw/zinc/22/04/38/711220438.db2.gz BPFQNZLCHGCGMB-UHFFFAOYSA-N 1 0 246.314 0.470 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC001019796137 710673438 /nfs/dbraw/zinc/67/34/38/710673438.db2.gz AMQQIAXFEVANBS-LBPRGKRZSA-N 1 0 231.299 0.381 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccccc2O)C1 ZINC001019991803 710673589 /nfs/dbraw/zinc/67/35/89/710673589.db2.gz FVJDKGGDDGQNPW-XYPYZODXSA-N 1 0 244.294 0.876 20 30 BCEDRO CC#CCN1CC[C@@H]1CNC(=O)[C@H]1C[C@@H]1C ZINC001038601191 710697167 /nfs/dbraw/zinc/69/71/67/710697167.db2.gz XWKFLAZIEYONKQ-TUAOUCFPSA-N 1 0 220.316 0.856 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)CN(C)CCOC ZINC000384207543 710832789 /nfs/dbraw/zinc/83/27/89/710832789.db2.gz NUHFTSTURGARAS-QWHCGFSZSA-N 1 0 242.363 0.317 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N2CCN(C(=O)CC)CC2)C1 ZINC001045987849 710843389 /nfs/dbraw/zinc/84/33/89/710843389.db2.gz CYHGVDXYWXADEP-ZDUSSCGKSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CCN1CC[C@@](C)(NC(=O)c2ccon2)C1 ZINC001046156579 710852753 /nfs/dbraw/zinc/85/27/53/710852753.db2.gz QMSHSOTVUKCFTR-GFCCVEGCSA-N 1 0 233.271 0.502 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C(=O)[C@@H](C)C#N ZINC001049382195 710900363 /nfs/dbraw/zinc/90/03/63/710900363.db2.gz NCTNJKYJENUUPC-RWMBFGLXSA-N 1 0 245.326 0.845 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@@H](C)C#N ZINC001049382196 710900682 /nfs/dbraw/zinc/90/06/82/710900682.db2.gz NCTNJKYJENUUPC-YNEHKIRRSA-N 1 0 245.326 0.845 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)c2nnc[nH]2)CC1 ZINC001052800371 710917763 /nfs/dbraw/zinc/91/77/63/710917763.db2.gz IPVBRDQVAJNRPL-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@@H]1C ZINC001054385602 710932325 /nfs/dbraw/zinc/93/23/25/710932325.db2.gz MMTRBXYMBQUSHG-NWDGAFQWSA-N 1 0 248.330 0.506 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@H]1C ZINC001054430584 710933586 /nfs/dbraw/zinc/93/35/86/710933586.db2.gz QGWBGQSTIXLKGJ-MWLCHTKSSA-N 1 0 233.271 0.358 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001054843728 710941600 /nfs/dbraw/zinc/94/16/00/710941600.db2.gz BUEOAMZNCPFMCT-MWLCHTKSSA-N 1 0 249.318 0.431 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1C ZINC001054997600 710943021 /nfs/dbraw/zinc/94/30/21/710943021.db2.gz QOUNZVRNXAMFBM-CMPLNLGQSA-N 1 0 249.314 0.840 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C)[C@@H]1CC ZINC000383610478 710984207 /nfs/dbraw/zinc/98/42/07/710984207.db2.gz MXIHZDFIAUQHDQ-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO Cc1ncsc1CCNC1=[NH+]CCN1C ZINC000391259237 711137592 /nfs/dbraw/zinc/13/75/92/711137592.db2.gz HBRZZWUOPCCLOD-UHFFFAOYSA-N 1 0 224.333 0.885 20 30 BCEDRO C=CC[N@H+]1C[C@@H](NC(=O)c2nnc[nH]2)CC[C@@H]1C ZINC001071907484 711208239 /nfs/dbraw/zinc/20/82/39/711208239.db2.gz AAGSENRBZQIDDT-UWVGGRQHSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)CSC)C2)C1 ZINC001072443387 711372708 /nfs/dbraw/zinc/37/27/08/711372708.db2.gz OWAYPBLGFLIJLF-UHFFFAOYSA-N 1 0 238.356 0.517 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)c3ccc[nH]3)C2)C1 ZINC001072463473 711375743 /nfs/dbraw/zinc/37/57/43/711375743.db2.gz HWSJKCBJFKJGAP-UHFFFAOYSA-N 1 0 243.310 0.796 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCOC3)C2)C1 ZINC001072530045 711379445 /nfs/dbraw/zinc/37/94/45/711379445.db2.gz HKOXAZSGGJHZRP-LBPRGKRZSA-N 1 0 248.326 0.190 20 30 BCEDRO CC#CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001072544576 711380370 /nfs/dbraw/zinc/38/03/70/711380370.db2.gz QHJGJXNIRUAZMF-GFCCVEGCSA-N 1 0 245.326 0.704 20 30 BCEDRO CON(C)C(=O)C[NH2+]CC(C)(C)CCC#N ZINC000397519488 711384327 /nfs/dbraw/zinc/38/43/27/711384327.db2.gz CTOJXGPRBBWSAK-UHFFFAOYSA-N 1 0 227.308 0.926 20 30 BCEDRO CCNC(NCC[C@@H](C)CCO)=[NH+]CC ZINC000397747018 711390901 /nfs/dbraw/zinc/39/09/01/711390901.db2.gz NMZZEPLWWFCGDE-SNVBAGLBSA-N 1 0 215.341 0.970 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnc(C)n2C)C1 ZINC001020512399 711458118 /nfs/dbraw/zinc/45/81/18/711458118.db2.gz ZUMZPCXTKDHPQJ-XYPYZODXSA-N 1 0 248.330 0.765 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccnc2C)C1 ZINC000969761217 711460995 /nfs/dbraw/zinc/46/09/95/711460995.db2.gz RXIDWFPMJYERSR-GFCCVEGCSA-N 1 0 243.310 0.827 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC000970006624 711464797 /nfs/dbraw/zinc/46/47/97/711464797.db2.gz CBBOOYJJLRLOQB-LLVKDONJSA-N 1 0 249.318 0.114 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2(CF)CCC2)C1 ZINC000970006923 711464943 /nfs/dbraw/zinc/46/49/43/711464943.db2.gz JSTLWUXUUOHREH-LLVKDONJSA-N 1 0 238.306 0.950 20 30 BCEDRO C=CCOCC[NH2+]Cc1cnc2n1CCOC2 ZINC000722825963 711475934 /nfs/dbraw/zinc/47/59/34/711475934.db2.gz ACGKUVFPBQETSN-UHFFFAOYSA-N 1 0 237.303 0.706 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000971024957 711494850 /nfs/dbraw/zinc/49/48/50/711494850.db2.gz KZDUEHMPQWCYHE-NEPJUHHUSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CCNC(=O)C[N@@H+](CC#C)C(C)(C)C ZINC000723024711 711495743 /nfs/dbraw/zinc/49/57/43/711495743.db2.gz BNNKMALZYUPHPI-UHFFFAOYSA-N 1 0 206.289 0.470 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H]2OCC)C1 ZINC001021856900 711507018 /nfs/dbraw/zinc/50/70/18/711507018.db2.gz PRGBDVPORVTKEP-KXNHARMFSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001021916017 711509383 /nfs/dbraw/zinc/50/93/83/711509383.db2.gz IHRVDCIBPKYGCS-UTUOFQBUSA-N 1 0 236.315 0.283 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001038041389 711565804 /nfs/dbraw/zinc/56/58/04/711565804.db2.gz RZLFHFUPAYFZOW-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO CC/[NH+]=C(/N(C)C)N1CCO[C@@H](COC)C1 ZINC000255439443 711572558 /nfs/dbraw/zinc/57/25/58/711572558.db2.gz JXICVKDIYWHAIS-ZOAHYWAASA-N 1 0 229.324 0.271 20 30 BCEDRO C#C[C@@H]1CCCC[N@@H+]1CCn1cnnn1 ZINC000934520041 711591533 /nfs/dbraw/zinc/59/15/33/711591533.db2.gz WFAHRAKHLYIZHT-SNVBAGLBSA-N 1 0 205.265 0.161 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@@H]1C[C@H]2COC[C@@H]2O1 ZINC000724622626 711600618 /nfs/dbraw/zinc/60/06/18/711600618.db2.gz JFCXJRISDCJCKH-RCWTZXSCSA-N 1 0 210.277 0.682 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC)[C@@H]2C1 ZINC001075464170 711618322 /nfs/dbraw/zinc/61/83/22/711618322.db2.gz PVEOHPMDYGXAJW-WDEREUQCSA-N 1 0 206.289 0.562 20 30 BCEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721556311 711624311 /nfs/dbraw/zinc/62/43/11/711624311.db2.gz KSAZQLFDYYTXTR-BXKDBHETSA-N 1 0 217.272 0.908 20 30 BCEDRO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)C[C@@H]1O ZINC000721556821 711624730 /nfs/dbraw/zinc/62/47/30/711624730.db2.gz MQNMNDIAQUFDMO-SKDRFNHKSA-N 1 0 217.272 0.766 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnon2)C1 ZINC000972581348 711636151 /nfs/dbraw/zinc/63/61/51/711636151.db2.gz LQZDJSTVXZVTFH-SECBINFHSA-N 1 0 236.275 0.402 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)c2cnco2)C1 ZINC001023515500 711636370 /nfs/dbraw/zinc/63/63/70/711636370.db2.gz BTDJHGCCONSVNT-LLVKDONJSA-N 1 0 247.298 0.750 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1 ZINC001075474158 711646712 /nfs/dbraw/zinc/64/67/12/711646712.db2.gz GLZALJHKRXQRGN-QWHCGFSZSA-N 1 0 232.327 0.952 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3cncc(C#N)c3)C[C@H]21 ZINC000721585433 711653526 /nfs/dbraw/zinc/65/35/26/711653526.db2.gz IAQZOBORKYBWDP-WDNDVIMCSA-N 1 0 242.326 0.945 20 30 BCEDRO CCNC(NCC[C@H](C)[S@](C)=O)=[NH+]CC ZINC000395556740 711695532 /nfs/dbraw/zinc/69/55/32/711695532.db2.gz XMJWYFIOIOLJOH-VFZGTOFNSA-N 1 0 233.381 0.719 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1ncnn1C(C)C ZINC000385531477 711731108 /nfs/dbraw/zinc/73/11/08/711731108.db2.gz RKLDFYJAQJJJKJ-UHFFFAOYSA-N 1 0 249.362 0.904 20 30 BCEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C1(C(N)=O)CC1 ZINC000893554557 711735889 /nfs/dbraw/zinc/73/58/89/711735889.db2.gz XOFAUFAMIMFCCY-QMMMGPOBSA-N 1 0 209.293 0.922 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ncccn1 ZINC001038833353 711747942 /nfs/dbraw/zinc/74/79/42/711747942.db2.gz NNGDQJDONIUIRY-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO COC(=O)N1CCC([NH2+]CCC#N)CC1 ZINC000260152967 711751763 /nfs/dbraw/zinc/75/17/63/711751763.db2.gz PJNYVNLPCWEOMS-UHFFFAOYSA-N 1 0 211.265 0.720 20 30 BCEDRO CN(CC1CC[NH+](C)CC1)C(=O)NCCC#N ZINC000426431827 711764435 /nfs/dbraw/zinc/76/44/35/711764435.db2.gz FMOPHRYIGREGEY-UHFFFAOYSA-N 1 0 238.335 0.883 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001028697283 711766950 /nfs/dbraw/zinc/76/69/50/711766950.db2.gz MJTDLXQHXOGXAY-JTQLQIEISA-N 1 0 249.289 0.839 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccnn1C ZINC001038103665 711781593 /nfs/dbraw/zinc/78/15/93/711781593.db2.gz OCQMCIQMEVXMND-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc[nH]n2)C1 ZINC000988163421 711793061 /nfs/dbraw/zinc/79/30/61/711793061.db2.gz FINFBEPJWPGVGN-NXEZZACHSA-N 1 0 234.303 0.788 20 30 BCEDRO CCOC1CC2(C[C@H]2NC(NC)=[NH+]C)C1 ZINC000721250130 711794805 /nfs/dbraw/zinc/79/48/05/711794805.db2.gz NNENADAIJGQVTD-INWMGODYSA-N 1 0 211.309 0.739 20 30 BCEDRO CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C#CC2CC2)C1 ZINC000988810317 711797246 /nfs/dbraw/zinc/79/72/46/711797246.db2.gz GSWQIVQVRFQXAN-ZYHUDNBSSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CCCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000161118985 711810683 /nfs/dbraw/zinc/81/06/83/711810683.db2.gz KIBSYSFZHXUUNV-QWRGUYRKSA-N 1 0 208.305 0.986 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)/C=C\c1ccco1 ZINC000913514409 711823454 /nfs/dbraw/zinc/82/34/54/711823454.db2.gz OXSJNIHGPFYJSR-FPLPWBNLSA-N 1 0 232.283 0.974 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cnc(C2CC2)o1 ZINC000913524724 711823494 /nfs/dbraw/zinc/82/34/94/711823494.db2.gz ZOGYAGPDCIMCHA-UHFFFAOYSA-N 1 0 247.298 0.847 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)CCCF ZINC000913524665 711823497 /nfs/dbraw/zinc/82/34/97/711823497.db2.gz XFZNRHXETOEIQK-UHFFFAOYSA-N 1 0 200.257 0.417 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1coc(C2CC2)n1 ZINC000913520965 711823920 /nfs/dbraw/zinc/82/39/20/711823920.db2.gz GLPBVTFPQFGXNW-UHFFFAOYSA-N 1 0 247.298 0.847 20 30 BCEDRO CCn1cc(CC(=O)NCC#CC[NH+](C)C)cn1 ZINC000913521050 711824044 /nfs/dbraw/zinc/82/40/44/711824044.db2.gz JLLOTHRLLLHQIJ-UHFFFAOYSA-N 1 0 248.330 0.127 20 30 BCEDRO CO[C@](C)(C(=O)NCC#CC[NH+](C)C)C1CC1 ZINC000913522334 711824164 /nfs/dbraw/zinc/82/41/64/711824164.db2.gz FFMWUCSHMXLXCT-ZDUSSCGKSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCc1cccc(OC)c1 ZINC000227665450 711832527 /nfs/dbraw/zinc/83/25/27/711832527.db2.gz HOKTUTWULJGLLH-UHFFFAOYSA-N 1 0 246.310 0.577 20 30 BCEDRO C#CCOc1ccccc1C[NH2+][C@@H](CO)COC ZINC000229072743 711837367 /nfs/dbraw/zinc/83/73/67/711837367.db2.gz NPZFTKAXJJPGBX-ZDUSSCGKSA-N 1 0 249.310 0.796 20 30 BCEDRO COC[C@H](C)CNC(=[NH2+])N[C@H](C)COC ZINC000170911020 711837920 /nfs/dbraw/zinc/83/79/20/711837920.db2.gz GIZDHSHFZBHYKE-RKDXNWHRSA-N 1 0 217.313 0.208 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038094906 711840628 /nfs/dbraw/zinc/84/06/28/711840628.db2.gz IKOOGELUCGNYBW-RYUDHWBXSA-N 1 0 237.347 0.457 20 30 BCEDRO C#CCCNC(=S)NC[C@H]1CCC[N@H+]1CC ZINC000733213797 711903664 /nfs/dbraw/zinc/90/36/64/711903664.db2.gz ZFGNXDQOHYROFV-LLVKDONJSA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC2(CC2)CC1 ZINC000706394809 711913115 /nfs/dbraw/zinc/91/31/15/711913115.db2.gz AZROSPNLFGEHRD-UHFFFAOYSA-N 1 0 206.289 0.612 20 30 BCEDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccc(C#N)[nH]1 ZINC001032361134 711914143 /nfs/dbraw/zinc/91/41/43/711914143.db2.gz FCSVWSHXYVUMQN-QWRGUYRKSA-N 1 0 244.298 0.805 20 30 BCEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](CC)[NH+](C)C ZINC001032474553 711920168 /nfs/dbraw/zinc/92/01/68/711920168.db2.gz DDILBYSSVKOWFV-RWMBFGLXSA-N 1 0 249.358 0.245 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2n[nH]nc2C)C1 ZINC000999214704 711932405 /nfs/dbraw/zinc/93/24/05/711932405.db2.gz YRLVFNQFWPJQFY-UHFFFAOYSA-N 1 0 249.318 0.492 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cc[nH]c2)C1 ZINC000999226784 711932475 /nfs/dbraw/zinc/93/24/75/711932475.db2.gz FVMCQCVEGJFLCZ-LBPRGKRZSA-N 1 0 231.299 0.842 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C1 ZINC001078052712 711939631 /nfs/dbraw/zinc/93/96/31/711939631.db2.gz UJZLHLDOBKIWLG-GHMZBOCLSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001038079364 711946172 /nfs/dbraw/zinc/94/61/72/711946172.db2.gz VMFVLXRCKXFXIE-SNVBAGLBSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C(F)F)C[C@@H]1C ZINC001054305609 711946396 /nfs/dbraw/zinc/94/63/96/711946396.db2.gz MDDTYSYKTHNGIH-YUMQZZPRSA-N 1 0 216.231 0.321 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C ZINC001054644884 711947042 /nfs/dbraw/zinc/94/70/42/711947042.db2.gz UUKJRMLFKUZFAC-NXEZZACHSA-N 1 0 232.287 0.093 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001038090509 711958980 /nfs/dbraw/zinc/95/89/80/711958980.db2.gz OQONBYCAXSFFKP-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001032944500 711968895 /nfs/dbraw/zinc/96/88/95/711968895.db2.gz YPUMARQZLOWBGO-VXGBXAGGSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2ccon2)C1 ZINC001032936250 711968907 /nfs/dbraw/zinc/96/89/07/711968907.db2.gz WGYGRQMLEXIBAE-NSHDSACASA-N 1 0 247.298 0.844 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC)[C@H](C)C1 ZINC001044391377 711971738 /nfs/dbraw/zinc/97/17/38/711971738.db2.gz TXLJEVRVXCRVJE-MNOVXSKESA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ncn(C)n2)C1 ZINC001033062251 711973473 /nfs/dbraw/zinc/97/34/73/711973473.db2.gz CINURZMHAOIGPB-SNVBAGLBSA-N 1 0 249.318 0.147 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2CC23CC3)C1 ZINC001033450123 711992215 /nfs/dbraw/zinc/99/22/15/711992215.db2.gz RDDGBMLNESBPHZ-NEPJUHHUSA-N 1 0 232.327 0.952 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC1CC([NH+](C)C)C1 ZINC000701487939 712024084 /nfs/dbraw/zinc/02/40/84/712024084.db2.gz JJOVXPCXZFJNML-IDKOKCKLSA-N 1 0 209.293 0.745 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ncccn2)C1 ZINC001033519417 711998989 /nfs/dbraw/zinc/99/89/89/711998989.db2.gz MASVVZLNLKKPIC-NSHDSACASA-N 1 0 246.314 0.809 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001033545197 712003712 /nfs/dbraw/zinc/00/37/12/712003712.db2.gz XLBUADCYPXWLCP-NSHDSACASA-N 1 0 248.330 0.671 20 30 BCEDRO C=CCOCCCNC(=O)C[C@H]([NH3+])C1CC1 ZINC000700796420 712005964 /nfs/dbraw/zinc/00/59/64/712005964.db2.gz WHHPICTUXMWRCU-NSHDSACASA-N 1 0 226.320 0.823 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N(CC)C(C)=O)C1 ZINC001033716939 712016428 /nfs/dbraw/zinc/01/64/28/712016428.db2.gz DCXNFZWWJGTQBM-GFCCVEGCSA-N 1 0 208.305 0.952 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000701613496 712026182 /nfs/dbraw/zinc/02/61/82/712026182.db2.gz KKBOKEKNYUNJGQ-PSASIEDQSA-N 1 0 232.711 0.622 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(CC)C(=O)c2nc[nH]n2)C1 ZINC001033993144 712031878 /nfs/dbraw/zinc/03/18/78/712031878.db2.gz PNDDIVKLWPGHRW-JTQLQIEISA-N 1 0 249.318 0.527 20 30 BCEDRO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001034109146 712040913 /nfs/dbraw/zinc/04/09/13/712040913.db2.gz ITJJFQKTGBNHTP-LLVKDONJSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001034121154 712040994 /nfs/dbraw/zinc/04/09/94/712040994.db2.gz ITFFNJBVCJASNN-GFCCVEGCSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@H+]1CCCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001034109147 712041044 /nfs/dbraw/zinc/04/10/44/712041044.db2.gz ITJJFQKTGBNHTP-NSHDSACASA-N 1 0 246.314 0.627 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)CCC1 ZINC000702295099 712042875 /nfs/dbraw/zinc/04/28/75/712042875.db2.gz FOSMENOGTKWLQC-LLVKDONJSA-N 1 0 233.315 0.987 20 30 BCEDRO C#CCCC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000703166130 712066935 /nfs/dbraw/zinc/06/69/35/712066935.db2.gz WTMVKGBBFQCWFZ-UHFFFAOYSA-N 1 0 244.360 0.367 20 30 BCEDRO C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cn[nH]c2)CC1 ZINC001034598801 712072584 /nfs/dbraw/zinc/07/25/84/712072584.db2.gz DXCUOKGECQJQGD-HAQNSBGRSA-N 1 0 246.314 0.674 20 30 BCEDRO C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccn[nH]2)CC1 ZINC001034598242 712072868 /nfs/dbraw/zinc/07/28/68/712072868.db2.gz BUQZARULIRHDDK-XYPYZODXSA-N 1 0 246.314 0.674 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703549209 712078854 /nfs/dbraw/zinc/07/88/54/712078854.db2.gz GXCQZXOFKZNDOC-GMXVVIOVSA-N 1 0 237.347 0.218 20 30 BCEDRO C=CCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000703589051 712079893 /nfs/dbraw/zinc/07/98/93/712079893.db2.gz DNVPROLSTORNDL-GXSJLCMTSA-N 1 0 209.293 0.423 20 30 BCEDRO C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2nnc[nH]2)CC1 ZINC001034756897 712086714 /nfs/dbraw/zinc/08/67/14/712086714.db2.gz FIYVHQNKMQLLKE-MGCOHNPYSA-N 1 0 249.318 0.621 20 30 BCEDRO C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000704665421 712114281 /nfs/dbraw/zinc/11/42/81/712114281.db2.gz MNQGHHNBILCAIC-CYBMUJFWSA-N 1 0 243.310 0.921 20 30 BCEDRO C#CC[N@H+]1CCC2(C1)CCN(C(C)=O)CC2 ZINC001035141429 712115585 /nfs/dbraw/zinc/11/55/85/712115585.db2.gz DDPAODYAZLLMQI-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CCCN(CCOC)C(=O)C[NH+](C)C ZINC000704770840 712115746 /nfs/dbraw/zinc/11/57/46/712115746.db2.gz ODQHIHJCDLIKKG-UHFFFAOYSA-N 1 0 212.293 0.046 20 30 BCEDRO C#CCNC(=O)CN1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000705642666 712134351 /nfs/dbraw/zinc/13/43/51/712134351.db2.gz OOIZXUBFYMDHAF-KBPBESRZSA-N 1 0 249.358 0.009 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)COC)C[C@@H]1C ZINC001035871036 712147828 /nfs/dbraw/zinc/14/78/28/712147828.db2.gz UWUQYKORGQBEQE-QWRGUYRKSA-N 1 0 226.320 0.645 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)COC)C[C@H]1C ZINC001035871307 712148617 /nfs/dbraw/zinc/14/86/17/712148617.db2.gz WPHKMKDOFDGQLV-GHMZBOCLSA-N 1 0 224.304 0.093 20 30 BCEDRO C=CC1CCN(S(=O)(=O)C2C[NH2+]C2)CC1 ZINC000706707069 712152579 /nfs/dbraw/zinc/15/25/79/712152579.db2.gz ASIVVPAKDMUIBQ-UHFFFAOYSA-N 1 0 230.333 0.186 20 30 BCEDRO CC(C)(O)[C@@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000707169392 712166475 /nfs/dbraw/zinc/16/64/75/712166475.db2.gz PZKWGJFKOYDILY-JTQLQIEISA-N 1 0 239.319 0.252 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)CC[C@@H](C)[NH3+] ZINC000707280596 712168246 /nfs/dbraw/zinc/16/82/46/712168246.db2.gz SFPSWLVPEBSQTH-SNVBAGLBSA-N 1 0 242.319 0.692 20 30 BCEDRO CC[NH2+]CCNC(=O)Cc1ccc(C#N)cc1 ZINC000707590115 712175388 /nfs/dbraw/zinc/17/53/88/712175388.db2.gz SVELNQMMEKWKKY-UHFFFAOYSA-N 1 0 231.299 0.826 20 30 BCEDRO C#CC1(O)CC[NH+](CCCOCC)CC1 ZINC000708152993 712183496 /nfs/dbraw/zinc/18/34/96/712183496.db2.gz XEEWFSUHXZFHQD-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2cnn(C)c2C)CC1 ZINC000708103792 712182084 /nfs/dbraw/zinc/18/20/84/712182084.db2.gz JLZGZDXQSHCRLQ-UHFFFAOYSA-N 1 0 233.315 0.689 20 30 BCEDRO C#CC1(O)CC[NH+]([C@@H](C)C(=O)NCCC)CC1 ZINC000708142394 712182974 /nfs/dbraw/zinc/18/29/74/712182974.db2.gz GBPJKUPGESPKMH-NSHDSACASA-N 1 0 238.331 0.361 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709788028 712226779 /nfs/dbraw/zinc/22/67/79/712226779.db2.gz ZATIXKQZXQBOGJ-WDEREUQCSA-N 1 0 212.293 0.355 20 30 BCEDRO C#CCCCS(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000710187918 712247772 /nfs/dbraw/zinc/24/77/72/712247772.db2.gz ZPOMHALMGJMUSG-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CCCCS(=O)(=O)NCC[NH+]1CCCC1 ZINC000710204476 712248367 /nfs/dbraw/zinc/24/83/67/712248367.db2.gz HUQHFDYPCRDAOW-UHFFFAOYSA-N 1 0 244.360 0.415 20 30 BCEDRO C=C[C@@H](NC[C@@H]1CC[N@H+]1CC)C(=O)OC ZINC000710308991 712251027 /nfs/dbraw/zinc/25/10/27/712251027.db2.gz HPLSZTDVQXYUEA-VHSXEESVSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCCS(=O)(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000710883227 712261415 /nfs/dbraw/zinc/26/14/15/712261415.db2.gz RBJONPQTHXWAEM-MNOVXSKESA-N 1 0 244.360 0.767 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H]1CCC1(OC)OC ZINC000710956407 712267661 /nfs/dbraw/zinc/26/76/61/712267661.db2.gz VJEQVTJCDCXTJI-GFCCVEGCSA-N 1 0 240.347 0.683 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H]1CC[C@@H]([NH3+])C1 ZINC000711044733 712276656 /nfs/dbraw/zinc/27/66/56/712276656.db2.gz CHGOXFKOZOTHKE-VHSXEESVSA-N 1 0 232.349 0.609 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711375757 712295491 /nfs/dbraw/zinc/29/54/91/712295491.db2.gz HEJXBIVGKBDGHU-ZJUUUORDSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711375739 712295547 /nfs/dbraw/zinc/29/55/47/712295547.db2.gz HEJXBIVGKBDGHU-UWVGGRQHSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711384450 712298133 /nfs/dbraw/zinc/29/81/33/712298133.db2.gz HKNKARJZOINZSR-SNVBAGLBSA-N 1 0 226.320 0.551 20 30 BCEDRO C#CC[C@H](COC)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000923487901 712334672 /nfs/dbraw/zinc/33/46/72/712334672.db2.gz IQNXVRKSLZTWBO-MNOVXSKESA-N 1 0 239.319 0.028 20 30 BCEDRO N#Cc1ccc(CC(=O)NC2CC[NH2+]CC2)cc1 ZINC000142717116 712342854 /nfs/dbraw/zinc/34/28/54/712342854.db2.gz ONRJLUWIIBSPJZ-UHFFFAOYSA-N 1 0 243.310 0.969 20 30 BCEDRO C#CCC[N@@H+]1C[C@@H](C)[C@H](NC(=O)CC)C1 ZINC001079327217 712347016 /nfs/dbraw/zinc/34/70/16/712347016.db2.gz JKNQVHLZATWKFE-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001079470693 712348980 /nfs/dbraw/zinc/34/89/80/712348980.db2.gz YJLQFCNYSUZGCZ-IJLUTSLNSA-N 1 0 236.315 0.093 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccnn2)C1 ZINC001080655918 712353691 /nfs/dbraw/zinc/35/36/91/712353691.db2.gz JCRRAMAMMRUSHU-ZYHUDNBSSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CCC[NH2+][C@H](C1CC1)[C@]1(CO)CCCO1 ZINC000378732007 712359922 /nfs/dbraw/zinc/35/99/22/712359922.db2.gz LIGAILJPUPETGE-CHWSQXEVSA-N 1 0 223.316 0.919 20 30 BCEDRO CCC[C@]1([NH2+]CC(=O)NCCC#N)CCOC1 ZINC000378854902 712367012 /nfs/dbraw/zinc/36/70/12/712367012.db2.gz XPPKMHJWTZPJLV-LBPRGKRZSA-N 1 0 239.319 0.565 20 30 BCEDRO CO[C@H](C)C[N@H+](C)CCO[C@@H](C)C#N ZINC000379508466 712386783 /nfs/dbraw/zinc/38/67/83/712386783.db2.gz ORXJOSULDCLVMH-VHSXEESVSA-N 1 0 200.282 0.882 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](CSC)C1 ZINC000390209101 712388637 /nfs/dbraw/zinc/38/86/37/712388637.db2.gz UGBKUUJGMZYABD-NSHDSACASA-N 1 0 240.372 0.811 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CSC[C@H]1C ZINC000379573804 712388761 /nfs/dbraw/zinc/38/87/61/712388761.db2.gz JGIXTFMGBDYHMV-BDAKNGLRSA-N 1 0 212.318 0.077 20 30 BCEDRO C#CCNC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000796427158 712424871 /nfs/dbraw/zinc/42/48/71/712424871.db2.gz BDWORZNVZWONTE-CHWSQXEVSA-N 1 0 249.358 0.294 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNc1cncc(C#N)n1 ZINC000712582925 712434154 /nfs/dbraw/zinc/43/41/54/712434154.db2.gz RWCHFALUWDSIJE-JTQLQIEISA-N 1 0 217.276 0.854 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNc1cc(C#N)cnn1 ZINC000712591795 712435216 /nfs/dbraw/zinc/43/52/16/712435216.db2.gz NATWKDVEPJSXLU-VIFPVBQESA-N 1 0 203.249 0.464 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNc1ccc(C#N)nn1 ZINC000712590302 712435487 /nfs/dbraw/zinc/43/54/87/712435487.db2.gz CPVGNBNLLGZOGN-SECBINFHSA-N 1 0 203.249 0.464 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNc1ccnc(C#N)c1 ZINC000712565584 712446253 /nfs/dbraw/zinc/44/62/53/712446253.db2.gz RBEGUKZZTAKRFC-LBPRGKRZSA-N 1 0 216.288 0.881 20 30 BCEDRO C[NH+](C)C[C@]1(O)CCN(c2ncccc2C#N)C1 ZINC000713647242 712468162 /nfs/dbraw/zinc/46/81/62/712468162.db2.gz HPGJRDCJXVOQBV-CYBMUJFWSA-N 1 0 246.314 0.456 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1cn(CCC)nn1 ZINC000714508895 712493141 /nfs/dbraw/zinc/49/31/41/712493141.db2.gz PVAXHVPXZHXIGC-UHFFFAOYSA-N 1 0 249.362 0.733 20 30 BCEDRO C=CC[C@H](C)[N@H+](C)CC(C)(CO)CO ZINC000715057333 712505240 /nfs/dbraw/zinc/50/52/40/712505240.db2.gz GWAWFQKZRAPEBX-JTQLQIEISA-N 1 0 201.310 0.874 20 30 BCEDRO C=CCN(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715117779 712510458 /nfs/dbraw/zinc/51/04/58/712510458.db2.gz DEBAJWGOGWLABF-BQBZGAKWSA-N 1 0 204.220 0.471 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NC12CC[NH+](CC1)C2 ZINC000715507821 712524398 /nfs/dbraw/zinc/52/43/98/712524398.db2.gz LWYJVDIVWJTLGC-NSHDSACASA-N 1 0 221.304 0.891 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NC12CC[NH+](CC1)C2 ZINC000715507818 712524448 /nfs/dbraw/zinc/52/44/48/712524448.db2.gz LWYJVDIVWJTLGC-LLVKDONJSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CC[C@H](C)[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000715742618 712531400 /nfs/dbraw/zinc/53/14/00/712531400.db2.gz ZAKLVFWDFPKVCQ-UWVGGRQHSA-N 1 0 213.277 0.825 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C12CC[NH+](CC1)C2 ZINC000715767002 712532444 /nfs/dbraw/zinc/53/24/44/712532444.db2.gz BVDZBNVGPVJULA-JTQLQIEISA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC(C)(C)NC(=O)C12CC[NH+](CC1)C2 ZINC000715771850 712532464 /nfs/dbraw/zinc/53/24/64/712532464.db2.gz XNSPODNNUOXMQM-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO CCN(CCC#N)C(=O)C12CC[NH+](CC1)C2 ZINC000715823575 712534019 /nfs/dbraw/zinc/53/40/19/712534019.db2.gz JYRVTKPZYJKLCL-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO CCC[C@H](C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000715822122 712534115 /nfs/dbraw/zinc/53/41/15/712534115.db2.gz FJGJGVHJGCHCFU-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCOCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716061855 712549377 /nfs/dbraw/zinc/54/93/77/712549377.db2.gz LRZSWQWRWCNLBB-UHFFFAOYSA-N 1 0 233.333 0.354 20 30 BCEDRO C#CC[C@@H](COC)Nc1cc(C)[nH+]c(N)n1 ZINC000716332911 712555007 /nfs/dbraw/zinc/55/50/07/712555007.db2.gz KYMLKMXKIKBIEM-VIFPVBQESA-N 1 0 220.276 0.817 20 30 BCEDRO C#CCCCCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000716671363 712569090 /nfs/dbraw/zinc/56/90/90/712569090.db2.gz OPHUPNYAOKIWOZ-LLVKDONJSA-N 1 0 226.320 0.219 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C12CC[NH+](CC1)C2 ZINC000716792413 712573679 /nfs/dbraw/zinc/57/36/79/712573679.db2.gz CUZDBYZSSMGIFH-NSHDSACASA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)COCC(C)C ZINC000716836913 712577660 /nfs/dbraw/zinc/57/76/60/712577660.db2.gz DBGQIENCBYRKJZ-CHWSQXEVSA-N 1 0 243.347 0.648 20 30 BCEDRO C#Cc1cncc(C(=O)NC[C@@H]2CCC[N@H+]2C)c1 ZINC000806605403 712583043 /nfs/dbraw/zinc/58/30/43/712583043.db2.gz XIZYMJGLOLIVCM-ZDUSSCGKSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CC1CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000830342836 712594987 /nfs/dbraw/zinc/59/49/87/712594987.db2.gz CXLVZSWXWLKETI-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000716950776 712599075 /nfs/dbraw/zinc/59/90/75/712599075.db2.gz XUDRLMFQSUJJER-ZDUSSCGKSA-N 1 0 246.310 0.913 20 30 BCEDRO C#CCCS(=O)(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000848475140 712609739 /nfs/dbraw/zinc/60/97/39/712609739.db2.gz MQCZCTNRSGRPGC-PHIMTYICSA-N 1 0 244.360 0.269 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@@H](O)CSC)CC1 ZINC000880484493 712633359 /nfs/dbraw/zinc/63/33/59/712633359.db2.gz XMAWSSAAFCNXFA-LLVKDONJSA-N 1 0 243.372 0.561 20 30 BCEDRO C=C(Cl)CN1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000379967650 712640808 /nfs/dbraw/zinc/64/08/08/712640808.db2.gz OMVQYZUREYJXGR-LLVKDONJSA-N 1 0 229.755 0.718 20 30 BCEDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000717296268 712645553 /nfs/dbraw/zinc/64/55/53/712645553.db2.gz LYKFJDZICCLSJL-CABZTGNLSA-N 1 0 220.272 0.390 20 30 BCEDRO CCc1nc(C#N)cc(NC[C@@H](O)C[NH+](C)C)n1 ZINC000717299429 712645726 /nfs/dbraw/zinc/64/57/26/712645726.db2.gz QRCFEQXFWSAMBD-SNVBAGLBSA-N 1 0 249.318 0.245 20 30 BCEDRO CCc1nc(C#N)cc(NC[C@H](O)C[NH+](C)C)n1 ZINC000717299425 712645768 /nfs/dbraw/zinc/64/57/68/712645768.db2.gz QRCFEQXFWSAMBD-JTQLQIEISA-N 1 0 249.318 0.245 20 30 BCEDRO C[C@H](O)[C@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000717377394 712652450 /nfs/dbraw/zinc/65/24/50/712652450.db2.gz USZJGJGNJHVQCS-OUJBWJOFSA-N 1 0 234.299 0.951 20 30 BCEDRO Cc1nc(NC[C@@H](O)C[NH+](C)C)ccc1C#N ZINC000717368766 712652543 /nfs/dbraw/zinc/65/25/43/712652543.db2.gz VRWLKVCUAPGZOA-LLVKDONJSA-N 1 0 234.303 0.596 20 30 BCEDRO C[C@@H](O)[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000717378098 712652783 /nfs/dbraw/zinc/65/27/83/712652783.db2.gz XFGAMZSQTKDRFA-OPQQBVKSSA-N 1 0 234.299 0.951 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000717456153 712658725 /nfs/dbraw/zinc/65/87/25/712658725.db2.gz AREAAGJDZURHAP-VXGBXAGGSA-N 1 0 225.263 0.996 20 30 BCEDRO C=CCC1(O)CC[NH+]([C@@H]2CCNC2=O)CC1 ZINC000717495930 712659846 /nfs/dbraw/zinc/65/98/46/712659846.db2.gz TWCBAQJDBDLUFF-SNVBAGLBSA-N 1 0 224.304 0.278 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cccc(=O)[nH]1 ZINC000717596662 712661110 /nfs/dbraw/zinc/66/11/10/712661110.db2.gz XQZNMXTZBNNGFP-UHFFFAOYSA-N 1 0 233.271 0.082 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H](CO)C1CCC1 ZINC000717617880 712662665 /nfs/dbraw/zinc/66/26/65/712662665.db2.gz JYVPXWSNUBHDCG-MWLCHTKSSA-N 1 0 212.293 0.666 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cccnc1F ZINC000717680284 712664283 /nfs/dbraw/zinc/66/42/83/712664283.db2.gz UTOBPXJMSVERAM-UHFFFAOYSA-N 1 0 235.262 0.516 20 30 BCEDRO Cc1ccc(O)cc1C(=O)NCC#CC[NH+](C)C ZINC000717680290 712664368 /nfs/dbraw/zinc/66/43/68/712664368.db2.gz UVQIGZLZOBJAQX-UHFFFAOYSA-N 1 0 246.310 0.995 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1ccnc(OC)n1 ZINC000717711395 712666314 /nfs/dbraw/zinc/66/63/14/712666314.db2.gz XPCGHNUHJYTAMU-LLVKDONJSA-N 1 0 235.287 0.349 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cc(C)ns1 ZINC000717726562 712667615 /nfs/dbraw/zinc/66/76/15/712667615.db2.gz CUCYWXGMBUFRNJ-SECBINFHSA-N 1 0 210.302 0.925 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000717740635 712668451 /nfs/dbraw/zinc/66/84/51/712668451.db2.gz QJQQBPLMSDYZGB-GFCCVEGCSA-N 1 0 232.283 0.259 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC000717762450 712674272 /nfs/dbraw/zinc/67/42/72/712674272.db2.gz BJPDLGOAONLUIN-NWDGAFQWSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnn(C=C)c1 ZINC000717778134 712675483 /nfs/dbraw/zinc/67/54/83/712675483.db2.gz XHSHWWCQFWQQCU-NSHDSACASA-N 1 0 205.261 0.457 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccccn1 ZINC000717785078 712676311 /nfs/dbraw/zinc/67/63/11/712676311.db2.gz APWXPOSERUVBJY-LBPRGKRZSA-N 1 0 204.273 0.946 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cnccn1 ZINC000717785385 712676655 /nfs/dbraw/zinc/67/66/55/712676655.db2.gz DGTDGIBIYCZLDF-JTQLQIEISA-N 1 0 205.261 0.341 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C[C@@]1(OC)CCOC1 ZINC000717785898 712676962 /nfs/dbraw/zinc/67/69/62/712676962.db2.gz GNJPQFBMDAXURE-NEPJUHHUSA-N 1 0 227.304 0.156 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cc(OC)cc(C)n1 ZINC000717788093 712677682 /nfs/dbraw/zinc/67/76/82/712677682.db2.gz ROTISTNVBNLFSW-LLVKDONJSA-N 1 0 234.299 0.872 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(OC)nc1 ZINC000717813165 712680974 /nfs/dbraw/zinc/68/09/74/712680974.db2.gz HIPADJAVASPALQ-NSHDSACASA-N 1 0 220.272 0.564 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cn(C)nc1CC ZINC000717813627 712681132 /nfs/dbraw/zinc/68/11/32/712681132.db2.gz MHMKNGOGVISYBE-LLVKDONJSA-N 1 0 221.304 0.456 20 30 BCEDRO N#C[C@H]1CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000932151928 712715480 /nfs/dbraw/zinc/71/54/80/712715480.db2.gz LFNAKJPVOCOTAB-LLVKDONJSA-N 1 0 224.304 0.763 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccnc(C#N)c1 ZINC000932158549 712716835 /nfs/dbraw/zinc/71/68/35/712716835.db2.gz KUKYPKMGKIMDQI-LLVKDONJSA-N 1 0 245.286 0.779 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1ccc(Cl)cc1 ZINC000718126940 712746105 /nfs/dbraw/zinc/74/61/05/712746105.db2.gz RTRAWSJZPXKTJB-NEPJUHHUSA-N 1 0 239.702 0.957 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCS(=O)(=O)C(C)(C)C ZINC000718665942 712776652 /nfs/dbraw/zinc/77/66/52/712776652.db2.gz CRXCGPWBQJFKJL-SNVBAGLBSA-N 1 0 249.376 0.726 20 30 BCEDRO COCC#CC[NH+]1CCC(C2OCCO2)CC1 ZINC000719013135 712793562 /nfs/dbraw/zinc/79/35/62/712793562.db2.gz VPPGHYOFOGRHEO-UHFFFAOYSA-N 1 0 239.315 0.721 20 30 BCEDRO C[C@H]1[C@H](Nc2cc(C#N)ncn2)CC[N@@H+]1C ZINC000719603780 712815988 /nfs/dbraw/zinc/81/59/88/712815988.db2.gz SUBNFBPELZMXBY-WCBMZHEXSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@@H]1[C@@H](Nc2ccncc2C#N)CC[N@@H+]1C ZINC000719774525 712824141 /nfs/dbraw/zinc/82/41/41/712824141.db2.gz QVMCNJZOGHGVKY-KOLCDFICSA-N 1 0 216.288 0.880 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1nocc1C ZINC000720482728 712847028 /nfs/dbraw/zinc/84/70/28/712847028.db2.gz HASFKZYKAITZPK-UHFFFAOYSA-N 1 0 235.287 0.668 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1CC(C(F)F)C1 ZINC000380311190 712873635 /nfs/dbraw/zinc/87/36/35/712873635.db2.gz HCFDTDOEDLXQQL-UHFFFAOYSA-N 1 0 218.247 0.922 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(c2nccnc2C#N)C1 ZINC000068902525 721885521 /nfs/dbraw/zinc/88/55/21/721885521.db2.gz BFIBDQIEUROZML-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(c2cnc(C#N)cn2)C1 ZINC000091393756 721887030 /nfs/dbraw/zinc/88/70/30/721887030.db2.gz BPWQCRLUHOGVNZ-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@H](C(=O)N[C@@]1(C#N)CCSC1)[NH+](C)C ZINC000602085987 349433576 /nfs/dbraw/zinc/43/35/76/349433576.db2.gz LNNBUFOAGAXEDC-PSASIEDQSA-N 1 0 227.333 0.452 20 30 BCEDRO COCC#CC[N@@H+]1CC(C)(C)[C@@H]2COC[C@@H]21 ZINC000650348069 398136386 /nfs/dbraw/zinc/13/63/86/398136386.db2.gz CUMYPDKOOYKCHR-NEPJUHHUSA-N 1 0 223.316 0.993 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000602172805 349459442 /nfs/dbraw/zinc/45/94/42/349459442.db2.gz PXFNJDMTWPUHTA-OPRDCNLKSA-N 1 0 223.320 0.991 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000602172806 349459499 /nfs/dbraw/zinc/45/94/99/349459499.db2.gz PXFNJDMTWPUHTA-UTLUCORTSA-N 1 0 223.320 0.991 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N2CC(C#N)C2)C1 ZINC000602154640 349463057 /nfs/dbraw/zinc/46/30/57/349463057.db2.gz FQYRIYOPHHCADH-SECBINFHSA-N 1 0 207.277 0.310 20 30 BCEDRO N#C[C@H](CO)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602159223 349465269 /nfs/dbraw/zinc/46/52/69/349465269.db2.gz QUBRAPGGHAQMQV-KOLCDFICSA-N 1 0 237.303 0.004 20 30 BCEDRO COCCN(CC#N)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000602160449 349465552 /nfs/dbraw/zinc/46/55/52/349465552.db2.gz YNUQBKQLWFNSEM-LLVKDONJSA-N 1 0 239.319 0.327 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418348333 192026577 /nfs/dbraw/zinc/02/65/77/192026577.db2.gz RDUQBYFGQOJMMS-ZJUUUORDSA-N 1 0 211.309 0.860 20 30 BCEDRO C#CC[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000378718388 346814869 /nfs/dbraw/zinc/81/48/69/346814869.db2.gz DHBRHENCWSXWEI-NWDGAFQWSA-N 1 0 209.289 0.529 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+]1CCO[C@](C)(COC)C1 ZINC000626175980 346815081 /nfs/dbraw/zinc/81/50/81/346815081.db2.gz CZOXCWJZNUWEQU-NEPJUHHUSA-N 1 0 229.320 0.661 20 30 BCEDRO CNC(=O)CC[NH2+]Cc1ccc(C#N)o1 ZINC000135483299 136214405 /nfs/dbraw/zinc/21/44/05/136214405.db2.gz PMPSJDKNQJURBI-UHFFFAOYSA-N 1 0 207.233 0.377 20 30 BCEDRO C#CC[N@@H+](CCN1C(=O)CCC1=O)C1CC1 ZINC000274143638 398150440 /nfs/dbraw/zinc/15/04/40/398150440.db2.gz KCQPUAQRGNXSQQ-UHFFFAOYSA-N 1 0 220.272 0.233 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)COCC ZINC000379513725 398150675 /nfs/dbraw/zinc/15/06/75/398150675.db2.gz VPMNWPPVXFGZMZ-JTQLQIEISA-N 1 0 203.282 0.176 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)CCO)C1=O ZINC000649871225 398154160 /nfs/dbraw/zinc/15/41/60/398154160.db2.gz VKSKVIRVBRLYCD-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO CCC#C[C@H](C)[N@H+](C)CC(C)(CO)CO ZINC000649355969 398167851 /nfs/dbraw/zinc/16/78/51/398167851.db2.gz NYDKCSSIXHDDHI-NSHDSACASA-N 1 0 213.321 0.711 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000390616158 398175394 /nfs/dbraw/zinc/17/53/94/398175394.db2.gz CXVVIJYWPCFSTC-LBPRGKRZSA-N 1 0 228.336 0.234 20 30 BCEDRO C=CCn1cc(CN[C@H]2CC[N@@H+](C)C[C@@H]2C)nn1 ZINC000424291599 398180462 /nfs/dbraw/zinc/18/04/62/398180462.db2.gz DVHNERMDNOBEEG-AAEUAGOBSA-N 1 0 249.362 0.894 20 30 BCEDRO C=CCCCN(C)C(=O)COC1C[NH2+]C1 ZINC000336709184 136217462 /nfs/dbraw/zinc/21/74/62/136217462.db2.gz RCTFXRZYVFBUOE-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@H](C)C[NH2+]C ZINC000418353532 192027026 /nfs/dbraw/zinc/02/70/26/192027026.db2.gz DBFAQKGDPAUTFG-MNOVXSKESA-N 1 0 243.351 0.326 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]C[C@@H]1CS(=O)(=O)CCO1 ZINC000309334935 136218054 /nfs/dbraw/zinc/21/80/54/136218054.db2.gz IRCVGBRGGKIMSZ-GHMZBOCLSA-N 1 0 247.360 0.744 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000107302595 136218177 /nfs/dbraw/zinc/21/81/77/136218177.db2.gz JMFVOOJUMNBQKH-SNVBAGLBSA-N 1 0 247.364 0.068 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCN(CC)[C@H](C)C1 ZINC000649396026 398197866 /nfs/dbraw/zinc/19/78/66/398197866.db2.gz SUFXROIKDPHYKU-NEPJUHHUSA-N 1 0 212.337 0.949 20 30 BCEDRO CNC(=[NH2+])NCC[C@@](C)(O)c1ccccc1 ZINC000186025418 136220380 /nfs/dbraw/zinc/22/03/80/136220380.db2.gz WLBLNCCOSXFCSU-GFCCVEGCSA-N 1 0 221.304 0.818 20 30 BCEDRO COC[C@](C)(CCO)[NH2+]CCCC#N ZINC000085903487 398214896 /nfs/dbraw/zinc/21/48/96/398214896.db2.gz MVDHFCXVGFMZSB-JTQLQIEISA-N 1 0 200.282 0.667 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418363292 192028129 /nfs/dbraw/zinc/02/81/29/192028129.db2.gz ICMLPZHTKXKQES-QWRGUYRKSA-N 1 0 241.335 0.222 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C1CCN(CC)CC1 ZINC000336766551 136221032 /nfs/dbraw/zinc/22/10/32/136221032.db2.gz RQWXYBIGQLNUFM-GFCCVEGCSA-N 1 0 212.337 0.997 20 30 BCEDRO C=CC[NH+]1CCC(N2CCOCC2)CC1 ZINC000625554388 343988466 /nfs/dbraw/zinc/98/84/66/343988466.db2.gz USSYTAOOCCOOPS-UHFFFAOYSA-N 1 0 210.321 0.969 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418369982 192029141 /nfs/dbraw/zinc/02/91/41/192029141.db2.gz OIBWXNNYCXSRMF-QWRGUYRKSA-N 1 0 241.335 0.365 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@@H]1C ZINC000076116286 398226533 /nfs/dbraw/zinc/22/65/33/398226533.db2.gz ORFKBQJGFIANBU-VIFPVBQESA-N 1 0 225.292 0.483 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418381662 192030763 /nfs/dbraw/zinc/03/07/63/192030763.db2.gz XQQNPWROFZJPDR-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO C=C(C)CN(CC)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418388000 192031719 /nfs/dbraw/zinc/03/17/19/192031719.db2.gz RSDKKKVSDJFQSH-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418389146 192032072 /nfs/dbraw/zinc/03/20/72/192032072.db2.gz OAJIYUKJDDYFDD-NSHDSACASA-N 1 0 243.351 0.686 20 30 BCEDRO C=CC[C@H](C)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418393638 192032494 /nfs/dbraw/zinc/03/24/94/192032494.db2.gz FMRNTMLGSHLXMD-WCBMZHEXSA-N 1 0 211.309 0.988 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418394378 192032572 /nfs/dbraw/zinc/03/25/72/192032572.db2.gz GHIBXUWIZJIBBR-NSHDSACASA-N 1 0 241.335 0.568 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NC[C@H]([NH3+])C(C)C ZINC000418405376 192033718 /nfs/dbraw/zinc/03/37/18/192033718.db2.gz KZLVZXMMBKAHOX-UWVGGRQHSA-N 1 0 229.324 0.206 20 30 BCEDRO CC(C)[N@@H+](Cc1ccc(C#N)o1)C[C@H](O)CO ZINC000421409254 192331815 /nfs/dbraw/zinc/33/18/15/192331815.db2.gz MGEHMKLJDMWRLH-JTQLQIEISA-N 1 0 238.287 0.715 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@@H](C)C[NH2+]C ZINC000418402863 192033903 /nfs/dbraw/zinc/03/39/03/192033903.db2.gz ZNTCRHRDGLWXCI-JTQLQIEISA-N 1 0 211.309 0.507 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC#CCOC ZINC000650079581 398232826 /nfs/dbraw/zinc/23/28/26/398232826.db2.gz NYHRHBXSDQOJAS-NEPJUHHUSA-N 1 0 209.289 0.959 20 30 BCEDRO C=CC(C)(C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629916976 361774254 /nfs/dbraw/zinc/77/42/54/361774254.db2.gz HUIRUBJCLNSYFE-JTQLQIEISA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NCC(C)(C)[NH3+] ZINC000418414769 192035103 /nfs/dbraw/zinc/03/51/03/192035103.db2.gz LWHUAOQANJKCFI-VIFPVBQESA-N 1 0 229.324 0.350 20 30 BCEDRO C=CCCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000629912422 361767035 /nfs/dbraw/zinc/76/70/35/361767035.db2.gz HBXLBGADWSYMFK-JTQLQIEISA-N 1 0 212.293 0.135 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000665802549 488174990 /nfs/dbraw/zinc/17/49/90/488174990.db2.gz GRBGTARGZDKUTC-CYBMUJFWSA-N 1 0 238.331 0.666 20 30 BCEDRO C[C@H]1C[C@H](NC(=O)CC#N)C[N@@H+]1C1CC1 ZINC000334494566 136226228 /nfs/dbraw/zinc/22/62/28/136226228.db2.gz ZWPBGBNROMMHGU-IUCAKERBSA-N 1 0 207.277 0.641 20 30 BCEDRO CC#CCN(C)C(=O)NCC1CC[NH2+]CC1 ZINC000576492844 365610607 /nfs/dbraw/zinc/61/06/07/365610607.db2.gz NWLCACWUQIQDTH-UHFFFAOYSA-N 1 0 223.320 0.651 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418422909 192036952 /nfs/dbraw/zinc/03/69/52/192036952.db2.gz BLOYREJODZDYLG-NXEZZACHSA-N 1 0 229.324 0.206 20 30 BCEDRO C=C[C@@H](CO)[NH2+]C1CCN(CCOC)CC1 ZINC000336775867 398240565 /nfs/dbraw/zinc/24/05/65/398240565.db2.gz CXCRWUURHHJWFH-NSHDSACASA-N 1 0 228.336 0.234 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCC([NH3+])(CC)CC ZINC000418425928 192037420 /nfs/dbraw/zinc/03/74/20/192037420.db2.gz KXCFLVSWTXNORP-SNVBAGLBSA-N 1 0 243.351 0.740 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCCSCC#N ZINC000193635069 136228901 /nfs/dbraw/zinc/22/89/01/136228901.db2.gz WAGPEFLYOAGMAB-ZJUUUORDSA-N 1 0 241.360 0.747 20 30 BCEDRO C[NH2+]CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000602429670 349534469 /nfs/dbraw/zinc/53/44/69/349534469.db2.gz WVHZJZDEWKNLST-UHFFFAOYSA-N 1 0 207.277 0.406 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NCC(C)(C)[NH3+] ZINC000418432099 192037658 /nfs/dbraw/zinc/03/76/58/192037658.db2.gz RXIVHUXENISIJA-SECBINFHSA-N 1 0 229.324 0.208 20 30 BCEDRO C=CCOCCCC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195254269 136229596 /nfs/dbraw/zinc/22/95/96/136229596.db2.gz NZTQKONXVQOLAK-TXEJJXNPSA-N 1 0 238.331 0.647 20 30 BCEDRO C[C@H]([NH2+]CCC#N)[C@H](C)N1CCOCC1 ZINC000576627751 365642147 /nfs/dbraw/zinc/64/21/47/365642147.db2.gz CTOIWAPKIKWJFC-QWRGUYRKSA-N 1 0 211.309 0.599 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[N@H+](C)C(C)(C)C1 ZINC000301044943 349537845 /nfs/dbraw/zinc/53/78/45/349537845.db2.gz NBCWKFAQQMCMEX-SNVBAGLBSA-N 1 0 226.320 0.740 20 30 BCEDRO C[C@@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)CC[NH2+]1 ZINC000602435034 349538900 /nfs/dbraw/zinc/53/89/00/349538900.db2.gz SIDUEKBKLOZVQB-SNVBAGLBSA-N 1 0 233.315 0.891 20 30 BCEDRO C=CCN(C(=O)NC[C@H](C)C[NH3+])C1CC1 ZINC000418469291 192038659 /nfs/dbraw/zinc/03/86/59/192038659.db2.gz KFWIDIVBSXEKCR-SECBINFHSA-N 1 0 211.309 0.941 20 30 BCEDRO C[C@@H](CCC#N)C[N@H+](CCO)CCCO ZINC000602468380 349540982 /nfs/dbraw/zinc/54/09/82/349540982.db2.gz NECKPCOBCXVPIJ-NSHDSACASA-N 1 0 214.309 0.603 20 30 BCEDRO CCNC(=O)C[N@H+](C)C[C@@H](C)CCC#N ZINC000602450583 349552110 /nfs/dbraw/zinc/55/21/10/349552110.db2.gz BMDWAAOXDQNOOF-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO Cn1cccc1C[NH2+]CCn1cnc(C#N)n1 ZINC000285350498 398259600 /nfs/dbraw/zinc/25/96/00/398259600.db2.gz AWHFNLJKEGGIPF-UHFFFAOYSA-N 1 0 230.275 0.278 20 30 BCEDRO CCC(C#N)(CC)C(=O)NCC[NH2+]CCOC ZINC000602485241 349566902 /nfs/dbraw/zinc/56/69/02/349566902.db2.gz QQNWATPOEGNINS-UHFFFAOYSA-N 1 0 241.335 0.669 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C1(C#N)CCC1 ZINC000602485552 349568160 /nfs/dbraw/zinc/56/81/60/349568160.db2.gz NFLXWBWMQJTNSI-UWVGGRQHSA-N 1 0 221.304 0.794 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)CCC1 ZINC000602495925 349558761 /nfs/dbraw/zinc/55/87/61/349558761.db2.gz IDLIFEFLDIBDSB-VHSXEESVSA-N 1 0 221.304 0.924 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000602496210 349558967 /nfs/dbraw/zinc/55/89/67/349558967.db2.gz PWVVVHUMCPPSTL-IUCAKERBSA-N 1 0 221.304 0.922 20 30 BCEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCC[NH3+] ZINC000561935016 323008907 /nfs/dbraw/zinc/00/89/07/323008907.db2.gz SWTLZUJJKNKQTG-SECBINFHSA-N 1 0 233.271 0.400 20 30 BCEDRO C[NH2+]CCCN(C)C(=O)C1(C#N)CCC1 ZINC000602511700 349584905 /nfs/dbraw/zinc/58/49/05/349584905.db2.gz QIQBTZRBAFJGOS-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000602514784 349586852 /nfs/dbraw/zinc/58/68/52/349586852.db2.gz LZHDBSHBCJBUGO-JMJZKYOTSA-N 1 0 219.288 0.842 20 30 BCEDRO C[C@@]1(C(=O)N[C@@H]2CC[C@H](C#N)C2)C[NH2+]CCO1 ZINC000602514095 349587095 /nfs/dbraw/zinc/58/70/95/349587095.db2.gz HIRJCVDYTVQFRY-UMNHJUIQSA-N 1 0 237.303 0.173 20 30 BCEDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)C1(C#N)CCC1 ZINC000602514422 349587177 /nfs/dbraw/zinc/58/71/77/349587177.db2.gz MSLYERGULFOIIQ-RKDXNWHRSA-N 1 0 209.293 0.922 20 30 BCEDRO C[NH2+]CCOCCNC(=O)C1(C#N)CCCC1 ZINC000602544432 349588559 /nfs/dbraw/zinc/58/85/59/349588559.db2.gz RPMUZGFWPVEGLU-UHFFFAOYSA-N 1 0 239.319 0.423 20 30 BCEDRO CC[NH2+][C@@H](C)C(=O)N1CC[C@](C)(C#N)C1 ZINC000602536413 349603748 /nfs/dbraw/zinc/60/37/48/349603748.db2.gz SVGYHEHHMPVNHH-GXSJLCMTSA-N 1 0 209.293 0.747 20 30 BCEDRO N#CC1(C(=O)NCC23CC(C2)C[NH2+]3)CCC1 ZINC000602536499 349604021 /nfs/dbraw/zinc/60/40/21/349604021.db2.gz UFELTJNHFRYEBL-UHFFFAOYSA-N 1 0 219.288 0.548 20 30 BCEDRO C[C@H]1CC[C@H](NC(=O)C2(C#N)CCC2)C[NH2+]1 ZINC000602551840 349594112 /nfs/dbraw/zinc/59/41/12/349594112.db2.gz GBBDTTOFQPZDRQ-UWVGGRQHSA-N 1 0 221.304 0.937 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@]1(O)CCOC1 ZINC000602582435 349610037 /nfs/dbraw/zinc/61/00/37/349610037.db2.gz PIYCJHNQDHITGT-GHMZBOCLSA-N 1 0 212.293 0.667 20 30 BCEDRO N#CC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCCC1 ZINC000602586877 349612881 /nfs/dbraw/zinc/61/28/81/349612881.db2.gz AGPCHFKCWBZQSH-UWVGGRQHSA-N 1 0 219.288 0.643 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418494658 192042152 /nfs/dbraw/zinc/04/21/52/192042152.db2.gz YSIVPIAFCYJGGE-SNVBAGLBSA-N 1 0 209.293 0.388 20 30 BCEDRO CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@H](C)CC#N ZINC000602589974 349613994 /nfs/dbraw/zinc/61/39/94/349613994.db2.gz AJVORHGNBFTTAL-ZJUUUORDSA-N 1 0 227.308 0.499 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC1CCC([NH+](C)C)CC1 ZINC000616382680 342746551 /nfs/dbraw/zinc/74/65/51/342746551.db2.gz QPVOMZNPPURKAD-XIVSLSHWSA-N 1 0 240.347 0.912 20 30 BCEDRO N#CC1(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CCC1 ZINC000602592362 349615094 /nfs/dbraw/zinc/61/50/94/349615094.db2.gz QOBCLDUREAOXRX-IUCAKERBSA-N 1 0 205.261 0.253 20 30 BCEDRO C[C@@H](C#N)C[NH2+]C[C@H]1CNc2ccnn2C1 ZINC000309593406 342729273 /nfs/dbraw/zinc/72/92/73/342729273.db2.gz VMYQDIWASURVHD-UWVGGRQHSA-N 1 0 219.292 0.674 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000335611551 136237140 /nfs/dbraw/zinc/23/71/40/136237140.db2.gz HHMYMNFHUXMKNT-QWRGUYRKSA-N 1 0 223.320 0.649 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC1([NH2+]C)CCC1 ZINC000630004332 361886452 /nfs/dbraw/zinc/88/64/52/361886452.db2.gz VVKDEPBWDMDNPU-NSHDSACASA-N 1 0 226.320 0.572 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)COCC ZINC000321091297 342750786 /nfs/dbraw/zinc/75/07/86/342750786.db2.gz DLSWSTMRMATHJF-QWRGUYRKSA-N 1 0 217.309 0.301 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000418548124 192044218 /nfs/dbraw/zinc/04/42/18/192044218.db2.gz JQNXRUMRFHVZJB-KXUCPTDWSA-N 1 0 211.309 0.858 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418501487 192044274 /nfs/dbraw/zinc/04/42/74/192044274.db2.gz RHNNBDXXMVBNGA-LLVKDONJSA-N 1 0 241.335 0.568 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]C1CCC(C#N)CC1 ZINC000602567394 349619510 /nfs/dbraw/zinc/61/95/10/349619510.db2.gz CTWIAOUIMRLKSW-XNWIYYODSA-N 1 0 209.293 0.922 20 30 BCEDRO C=CCCN(C)C(=O)NCC[NH2+]CCOC ZINC000418507196 192044545 /nfs/dbraw/zinc/04/45/45/192044545.db2.gz KGKDQWVLEPGQLP-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO COC[C@@](C)(O)C[NH2+]C[C@@H](C)CCC#N ZINC000602568872 349620045 /nfs/dbraw/zinc/62/00/45/349620045.db2.gz YTEXAFPLFHRGSE-QWRGUYRKSA-N 1 0 214.309 0.913 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000634580811 342796242 /nfs/dbraw/zinc/79/62/42/342796242.db2.gz KYMVBLBKJYLFQD-MNOVXSKESA-N 1 0 248.330 0.998 20 30 BCEDRO CN1CC[NH2+]C[C@H]1CNc1cnccc1C#N ZINC000394757229 342822586 /nfs/dbraw/zinc/82/25/86/342822586.db2.gz YQQPOUYHVLBFOZ-NSHDSACASA-N 1 0 231.303 0.269 20 30 BCEDRO C[C@H](C[NH2+]C[C@@H](C)CCC#N)S(C)(=O)=O ZINC000602576221 349624770 /nfs/dbraw/zinc/62/47/70/349624770.db2.gz KEEQXPKHQHVPMQ-VHSXEESVSA-N 1 0 232.349 0.949 20 30 BCEDRO C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000602603864 349626086 /nfs/dbraw/zinc/62/60/86/349626086.db2.gz VNUIMWVXVHKCPU-AXFHLTTASA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@H]([NH3+])CC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000602603457 349626210 /nfs/dbraw/zinc/62/62/10/349626210.db2.gz SDPNMCSXCQOUBX-IVZWLZJFSA-N 1 0 209.293 0.874 20 30 BCEDRO CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000602603403 349626312 /nfs/dbraw/zinc/62/63/12/349626312.db2.gz RPNUBNBCCKYRKV-BBBLOLIVSA-N 1 0 209.293 0.874 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)C[C@@H](C)[NH3+])C(=O)OC ZINC000602602583 349625571 /nfs/dbraw/zinc/62/55/71/349625571.db2.gz UZRDGLWNXCTCRM-RKDXNWHRSA-N 1 0 228.292 0.348 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@H](OC)C1 ZINC000381471231 539001491 /nfs/dbraw/zinc/00/14/91/539001491.db2.gz OOJVGJZUUFGQDF-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO CO[C@@H](C[NH2+]CCCC#N)[C@@H]1CCOC1 ZINC000602604944 349627290 /nfs/dbraw/zinc/62/72/90/349627290.db2.gz RZBKBZGPLRHJNP-MNOVXSKESA-N 1 0 212.293 0.931 20 30 BCEDRO CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@@H]1CCC[C@@H]1C#N ZINC000602604618 349627297 /nfs/dbraw/zinc/62/72/97/349627297.db2.gz YZNMITVTBBLGIT-ZIQFBCGOSA-N 1 0 233.315 0.602 20 30 BCEDRO CO[C@@H](C[NH2+]CCCC#N)[C@H]1CCOC1 ZINC000602604945 349627327 /nfs/dbraw/zinc/62/73/27/349627327.db2.gz RZBKBZGPLRHJNP-QWRGUYRKSA-N 1 0 212.293 0.931 20 30 BCEDRO CO[C@H](C[NH2+]CCCC#N)[C@H]1CCOC1 ZINC000602604946 349627442 /nfs/dbraw/zinc/62/74/42/349627442.db2.gz RZBKBZGPLRHJNP-WDEREUQCSA-N 1 0 212.293 0.931 20 30 BCEDRO CC#CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418536607 192049214 /nfs/dbraw/zinc/04/92/14/192049214.db2.gz IYUYUWVVIVJTLM-LBPRGKRZSA-N 1 0 223.320 0.699 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362883934 536614931 /nfs/dbraw/zinc/61/49/31/536614931.db2.gz UYGIIDIBSQJUMW-SCVCMEIPSA-N 1 0 239.319 0.229 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000602610569 349635068 /nfs/dbraw/zinc/63/50/68/349635068.db2.gz BQCSJTSESMXZRT-QWHCGFSZSA-N 1 0 237.347 0.943 20 30 BCEDRO CN1CC[C@](O)(C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602610728 349634415 /nfs/dbraw/zinc/63/44/15/349634415.db2.gz JCBUNWXJXSICRX-BPCQOVAHSA-N 1 0 237.347 0.725 20 30 BCEDRO C[N@H+](CC(=O)N1CCO[C@H](C#N)C1)C1CCC1 ZINC000600816581 398313407 /nfs/dbraw/zinc/31/34/07/398313407.db2.gz DWMXOWMGQHEYCA-LLVKDONJSA-N 1 0 237.303 0.222 20 30 BCEDRO C=CCCCN(C)C(=O)NCC[NH2+]CCOC ZINC000418569706 192051527 /nfs/dbraw/zinc/05/15/27/192051527.db2.gz YAJDMFBXJIZLQA-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000602618742 349639962 /nfs/dbraw/zinc/63/99/62/349639962.db2.gz DZMOJLLHHAHVBB-GARJFASQSA-N 1 0 212.293 0.354 20 30 BCEDRO CCN(CCO)CC[NH2+]C[C@@H](C)CCC#N ZINC000602619570 349640653 /nfs/dbraw/zinc/64/06/53/349640653.db2.gz OXQIAVBAIQZWJV-LBPRGKRZSA-N 1 0 227.352 0.830 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)C(=O)N(C)C ZINC000602630551 349647280 /nfs/dbraw/zinc/64/72/80/349647280.db2.gz MOZQWFREBWRDJE-ZJUUUORDSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CCCOCCO ZINC000602595846 349644121 /nfs/dbraw/zinc/64/41/21/349644121.db2.gz DQLOKZZARZEWDI-NSHDSACASA-N 1 0 214.309 0.915 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@H]1C[C@H]([NH3+])C1)C(=O)OC ZINC000602598304 349645021 /nfs/dbraw/zinc/64/50/21/349645021.db2.gz AZWIPTZIZVCSHB-OPRDCNLKSA-N 1 0 240.303 0.348 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@H](C)[NH2+]C)C(=O)OC ZINC000602598369 349645041 /nfs/dbraw/zinc/64/50/41/349645041.db2.gz BSLWGHLOQVJDBT-IUCAKERBSA-N 1 0 228.292 0.218 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@H](C)C[NH3+])C(=O)OC ZINC000602598358 349645250 /nfs/dbraw/zinc/64/52/50/349645250.db2.gz BOUXXWDNMFLMDZ-RKDXNWHRSA-N 1 0 228.292 0.205 20 30 BCEDRO N#CC1(C[NH2+][C@@H]2CCCNC(=O)C2)CC1 ZINC000602642752 349655611 /nfs/dbraw/zinc/65/56/11/349655611.db2.gz MCUGDDNBKKJXKF-SECBINFHSA-N 1 0 207.277 0.548 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000565005904 398337708 /nfs/dbraw/zinc/33/77/08/398337708.db2.gz VWRLDWDDSXUSLG-BDAKNGLRSA-N 1 0 200.282 0.431 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000602681861 349674417 /nfs/dbraw/zinc/67/44/17/349674417.db2.gz XGHRDIHTCCYJJG-MNOVXSKESA-N 1 0 212.293 0.619 20 30 BCEDRO CCn1cnnc1CNC(N[C@H]1C[C@@H]1C)=[NH+]C ZINC000083904791 398342263 /nfs/dbraw/zinc/34/22/63/398342263.db2.gz OPDBEGVDYXNAAL-IUCAKERBSA-N 1 0 236.323 0.371 20 30 BCEDRO CCn1cnnc1CNC(N[C@H]1C[C@H]1C)=[NH+]C ZINC000083904795 398342301 /nfs/dbraw/zinc/34/23/01/398342301.db2.gz OPDBEGVDYXNAAL-BDAKNGLRSA-N 1 0 236.323 0.371 20 30 BCEDRO N#CC1CCC([NH2+]CC(=O)NC2CC2)CC1 ZINC000602669128 349685943 /nfs/dbraw/zinc/68/59/43/349685943.db2.gz YJGUFXMUXVUFIW-UHFFFAOYSA-N 1 0 221.304 0.937 20 30 BCEDRO C[C@H](CCC#N)C[N@H+](C)CCOCCO ZINC000602659474 349680341 /nfs/dbraw/zinc/68/03/41/349680341.db2.gz QRIIZCQVFFXBPJ-LLVKDONJSA-N 1 0 214.309 0.867 20 30 BCEDRO N#CC1CCC([NH2+][C@H]2C[C@@H](C(N)=O)C2)CC1 ZINC000602696652 349692372 /nfs/dbraw/zinc/69/23/72/349692372.db2.gz BDCNLDXYKQJSKK-WHTULNAYSA-N 1 0 221.304 0.922 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351813725 136254675 /nfs/dbraw/zinc/25/46/75/136254675.db2.gz RPTKXLIOBMQSES-OUAUKWLOSA-N 1 0 239.319 0.060 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000602691525 349688991 /nfs/dbraw/zinc/68/89/91/349688991.db2.gz GYXNSBNIKRCTHQ-ZJUUUORDSA-N 1 0 237.303 0.663 20 30 BCEDRO CO[C@H](C[NH+]1CC(CC#N)C1)[C@@H]1CCOC1 ZINC000602705974 349699793 /nfs/dbraw/zinc/69/97/93/349699793.db2.gz FRMPCVQPDDMQOA-VXGBXAGGSA-N 1 0 224.304 0.883 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cn1cccn1 ZINC000309018350 133453199 /nfs/dbraw/zinc/45/31/99/133453199.db2.gz VPAXHUCSVBJDRS-WDEREUQCSA-N 1 0 209.293 0.798 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CCN1CC[C@H](O)C1 ZINC000602728969 349717368 /nfs/dbraw/zinc/71/73/68/349717368.db2.gz FVHGDKBHUQOAGW-NEPJUHHUSA-N 1 0 225.336 0.582 20 30 BCEDRO C[C@@H](CCC#N)[N@H+](C)[C@H]1CCN(C)C1=O ZINC000518193167 259338687 /nfs/dbraw/zinc/33/86/87/259338687.db2.gz VXLBZTMKDUJGPX-UWVGGRQHSA-N 1 0 209.293 0.841 20 30 BCEDRO C[C@@H]1OCC[C@H]1C[NH+]1CCN(CCC#N)CC1 ZINC000602797264 349738604 /nfs/dbraw/zinc/73/86/04/349738604.db2.gz HZGJRJYLPMRBJG-STQMWFEESA-N 1 0 237.347 0.943 20 30 BCEDRO C[C@H]1OCC[C@@H]1C[NH+]1CCN(CCC#N)CC1 ZINC000602797261 349738956 /nfs/dbraw/zinc/73/89/56/349738956.db2.gz HZGJRJYLPMRBJG-CHWSQXEVSA-N 1 0 237.347 0.943 20 30 BCEDRO N#CCC1(C[N@H+]2C[C@@H](O)C[C@H]2CO)CC1 ZINC000602798579 349739927 /nfs/dbraw/zinc/73/99/27/349739927.db2.gz LMSBGKFAQVQCGZ-UWVGGRQHSA-N 1 0 210.277 0.108 20 30 BCEDRO COCCN(CC1(CC#N)CC1)[C@H](C)C(N)=O ZINC000602776643 349729104 /nfs/dbraw/zinc/72/91/04/349729104.db2.gz WANAEFFONIAJAB-SNVBAGLBSA-N 1 0 239.319 0.502 20 30 BCEDRO COCCN(CC1(CC#N)CC1)[C@@H](C)C(N)=O ZINC000602776641 349729621 /nfs/dbraw/zinc/72/96/21/349729621.db2.gz WANAEFFONIAJAB-JTQLQIEISA-N 1 0 239.319 0.502 20 30 BCEDRO C[C@H](O)C[N@H+](CC1(CC#N)CC1)[C@@H](C)CO ZINC000602819165 349759406 /nfs/dbraw/zinc/75/94/06/349759406.db2.gz ZIMDFJVCXCZGKB-QWRGUYRKSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CC1(CC#N)CC1 ZINC000602827238 349765180 /nfs/dbraw/zinc/76/51/80/349765180.db2.gz QFVITZLBRWWOML-ZJUUUORDSA-N 1 0 221.304 0.794 20 30 BCEDRO CC#CCN1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000335904404 136260424 /nfs/dbraw/zinc/26/04/24/136260424.db2.gz RXNVHXWTOLPTOY-QWHCGFSZSA-N 1 0 222.332 0.805 20 30 BCEDRO C#CCNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000176484799 166181353 /nfs/dbraw/zinc/18/13/53/166181353.db2.gz WKHJLVXAPNJWMP-UWVGGRQHSA-N 1 0 221.304 0.544 20 30 BCEDRO Cn1cc([C@H](CO)[NH2+]CC2(CC#N)CC2)cn1 ZINC000602807002 349769681 /nfs/dbraw/zinc/76/96/81/349769681.db2.gz GVBIFDVKFGOPSN-NSHDSACASA-N 1 0 234.303 0.737 20 30 BCEDRO COC(=O)CC[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602854874 349788323 /nfs/dbraw/zinc/78/83/23/349788323.db2.gz DDWJPJJZADLMIN-PHIMTYICSA-N 1 0 239.319 0.468 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856352 349789211 /nfs/dbraw/zinc/78/92/11/349789211.db2.gz ZIFYUKRFVINEFE-XQQFMLRXSA-N 1 0 237.347 0.842 20 30 BCEDRO C[NH+](C)C[C@]1(O)CCCN(CCCC#N)C1 ZINC000602878113 349790341 /nfs/dbraw/zinc/79/03/41/349790341.db2.gz VPPBESRSQGTZKD-GFCCVEGCSA-N 1 0 225.336 0.679 20 30 BCEDRO C[C@@H]1C[N@@H+](CC2(C)COC2)C[C@H](C)N1CC#N ZINC000602848898 349784937 /nfs/dbraw/zinc/78/49/37/349784937.db2.gz IPPACPPYDWXSQL-TXEJJXNPSA-N 1 0 237.347 0.941 20 30 BCEDRO C=CCOCCC[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000634649632 343061794 /nfs/dbraw/zinc/06/17/94/343061794.db2.gz QRWDQFONDCXNDI-GFCCVEGCSA-N 1 0 243.347 0.835 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418657021 192059162 /nfs/dbraw/zinc/05/91/62/192059162.db2.gz QPSCZJJDJGFBIR-CMPLNLGQSA-N 1 0 241.335 0.629 20 30 BCEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000175606011 343066854 /nfs/dbraw/zinc/06/68/54/343066854.db2.gz QTSDVIFSVWBPBM-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO CN1CC[N@H+](CC2(CC#N)CC2)CCC1=O ZINC000602891736 349795007 /nfs/dbraw/zinc/79/50/07/349795007.db2.gz DEIJFASQTFPUNU-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO C[C@@H](CC#N)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000602864246 349796196 /nfs/dbraw/zinc/79/61/96/349796196.db2.gz RMTOWJFNRRSJOP-QMMMGPOBSA-N 1 0 223.236 0.683 20 30 BCEDRO C[NH+](C)C[C@@]1(O)CCCN(CCC#N)C1 ZINC000602890742 349795229 /nfs/dbraw/zinc/79/52/29/349795229.db2.gz IYUGZHUKAZXLFG-NSHDSACASA-N 1 0 211.309 0.289 20 30 BCEDRO C[C@H](CC#N)[NH2+]CCn1ccc([N+](=O)[O-])n1 ZINC000602864227 349796356 /nfs/dbraw/zinc/79/63/56/349796356.db2.gz RMTOWJFNRRSJOP-MRVPVSSYSA-N 1 0 223.236 0.683 20 30 BCEDRO C[NH+](C)[C@@H]1CCN(C[C@H](O)CC(C)(C)C#N)C1 ZINC000602889995 349795517 /nfs/dbraw/zinc/79/55/17/349795517.db2.gz KQEQAHVGGAMRIX-VXGBXAGGSA-N 1 0 239.363 0.923 20 30 BCEDRO CC[C@@H](CC#N)[NH2+][C@H](C)CN1CCOCC1 ZINC000049504633 343111281 /nfs/dbraw/zinc/11/12/81/343111281.db2.gz AHCKYCJUFMBKKA-NEPJUHHUSA-N 1 0 225.336 0.989 20 30 BCEDRO C=CCCCCn1cc(CC[C@H](O)C[NH3+])nn1 ZINC000640939977 362075311 /nfs/dbraw/zinc/07/53/11/362075311.db2.gz ZOTIWHDJVWGULD-LBPRGKRZSA-N 1 0 238.335 0.887 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](CC)[C@H]2CCOC2)C1=O ZINC000361595953 136268560 /nfs/dbraw/zinc/26/85/60/136268560.db2.gz PZWIPEHKOUGYSO-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000361594345 136268584 /nfs/dbraw/zinc/26/85/84/136268584.db2.gz JQIMPNXVLGVVBU-NEPJUHHUSA-N 1 0 248.330 0.821 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000361580913 136268592 /nfs/dbraw/zinc/26/85/92/136268592.db2.gz DGXCUMKHUNCWJJ-RWMBFGLXSA-N 1 0 243.347 0.785 20 30 BCEDRO COCC#CC[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000309989901 343131560 /nfs/dbraw/zinc/13/15/60/343131560.db2.gz ZTSXUDQWNDKWEN-MNOVXSKESA-N 1 0 225.288 0.568 20 30 BCEDRO C=CCOCC[NH2+][C@H](CO)C1CCOCC1 ZINC000339082098 136271387 /nfs/dbraw/zinc/27/13/87/136271387.db2.gz QOFXKMXJYHXRAT-GFCCVEGCSA-N 1 0 229.320 0.566 20 30 BCEDRO C#CCNC(=O)[C@@H]([NH3+])Cc1ccccc1 ZINC000019513162 343141523 /nfs/dbraw/zinc/14/15/23/343141523.db2.gz YZRDNKGLDDESPT-NSHDSACASA-N 1 0 202.257 0.306 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCC(=O)N1CCOCC1 ZINC000124120384 343167043 /nfs/dbraw/zinc/16/70/43/343167043.db2.gz FRHDNYKZNIRUOL-LLVKDONJSA-N 1 0 239.319 0.517 20 30 BCEDRO CNC(=O)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000308935098 136274370 /nfs/dbraw/zinc/27/43/70/136274370.db2.gz KQPGDZFCBQMVJD-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO CC1(C)[C@H](O)C[C@H]1NC(=[NH2+])Nc1ccccn1 ZINC000186873296 136275477 /nfs/dbraw/zinc/27/54/77/136275477.db2.gz MKPUKIGOXUXUKO-RKDXNWHRSA-N 1 0 234.303 0.968 20 30 BCEDRO N#Cc1csc(C[NH2+]C[C@@H](O)CO)c1 ZINC000086573791 136280946 /nfs/dbraw/zinc/28/09/46/136280946.db2.gz RMKMGVSMRRDJHG-MRVPVSSYSA-N 1 0 212.274 0.063 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1([S@](C)=O)CCC1 ZINC000262696540 136281280 /nfs/dbraw/zinc/28/12/80/136281280.db2.gz DXGNXJSMRWCOEQ-INIZCTEOSA-N 1 0 243.376 0.768 20 30 BCEDRO C=CCOCCn1cc(CCCC[NH3+])nn1 ZINC000641030114 362142584 /nfs/dbraw/zinc/14/25/84/362142584.db2.gz QYDAUNLEIYSCHA-UHFFFAOYSA-N 1 0 224.308 0.762 20 30 BCEDRO C[C@@H](CC#N)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC000602871427 349802357 /nfs/dbraw/zinc/80/23/57/349802357.db2.gz RBJBVFHUBCPFBF-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO N#CCC1(CN2CCN(c3nc[nH]n3)CC2)CC1 ZINC000602871060 349802422 /nfs/dbraw/zinc/80/24/22/349802422.db2.gz VJXSKBMEOFGOAY-UHFFFAOYSA-N 1 0 246.318 0.621 20 30 BCEDRO CN(C(=[NH2+])NCc1cnn(C)c1)C1CC1 ZINC000273132251 136283912 /nfs/dbraw/zinc/28/39/12/136283912.db2.gz AYQOOULIRKRZLS-UHFFFAOYSA-N 1 0 207.281 0.329 20 30 BCEDRO C=CCN(CCOC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336713964 136278382 /nfs/dbraw/zinc/27/83/82/136278382.db2.gz OTAXCZLGSITWEF-CYBMUJFWSA-N 1 0 242.363 0.576 20 30 BCEDRO N#Cc1ccc(C(=O)NCCN2CCC2)o1 ZINC000343441555 343245832 /nfs/dbraw/zinc/24/58/32/343245832.db2.gz HDGLRKWATAEHCE-UHFFFAOYSA-N 1 0 219.244 0.587 20 30 BCEDRO C#CCNC(=O)N(CCC)CCC[NH+](C)C ZINC000188494706 343264357 /nfs/dbraw/zinc/26/43/57/343264357.db2.gz RYYOCMZWVOHEQX-UHFFFAOYSA-N 1 0 225.336 0.993 20 30 BCEDRO COCC[N@H+](C)CCNc1ncncc1C#N ZINC000302546416 343277413 /nfs/dbraw/zinc/27/74/13/343277413.db2.gz QICLGGYVKDOSBU-UHFFFAOYSA-N 1 0 235.291 0.338 20 30 BCEDRO C[C@@H]1CN/C(=[NH+]\Cc2cn3ccsc3n2)N1 ZINC000284947878 136287176 /nfs/dbraw/zinc/28/71/76/136287176.db2.gz DQCJYEQBOSMENQ-SSDOTTSWSA-N 1 0 235.316 0.833 20 30 BCEDRO CCc1ccc([C@@H](O)CNC(=[NH2+])NC)cc1 ZINC000284945158 136287241 /nfs/dbraw/zinc/28/72/41/136287241.db2.gz DKSHNUVPDFIXDV-NSHDSACASA-N 1 0 221.304 0.817 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H](CO)c2ccccc2)N1 ZINC000285033284 136287537 /nfs/dbraw/zinc/28/75/37/136287537.db2.gz KABIOMLMIVFQIK-CMPLNLGQSA-N 1 0 233.315 0.700 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@]2(C#N)CCSC2)C1 ZINC000609200996 343369531 /nfs/dbraw/zinc/36/95/31/343369531.db2.gz INFDZGHWKAWABQ-MWLCHTKSSA-N 1 0 239.344 0.454 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000669555262 488215998 /nfs/dbraw/zinc/21/59/98/488215998.db2.gz MIKIXCAGXHYTGI-MNOVXSKESA-N 1 0 241.335 0.758 20 30 BCEDRO C=CCOCCNC(=O)N1CCC[C@H]1C[NH2+]C ZINC000669555148 488216098 /nfs/dbraw/zinc/21/60/98/488216098.db2.gz BCJQNFRJOZIGCG-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO COCC1(C[NH+]2CCN(CC#N)CC2)CCC1 ZINC000310240875 343399086 /nfs/dbraw/zinc/39/90/86/343399086.db2.gz LQQXJPNUNGZTOS-UHFFFAOYSA-N 1 0 237.347 0.944 20 30 BCEDRO N#Cc1nccc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000310281892 343409018 /nfs/dbraw/zinc/40/90/18/343409018.db2.gz PRZLEBFOJDDMJW-VIFPVBQESA-N 1 0 229.287 0.997 20 30 BCEDRO CCC[N@H+](C)CC(=O)N[C@]1(C#N)CCSC1 ZINC000609316933 343415675 /nfs/dbraw/zinc/41/56/75/343415675.db2.gz YRXBLDSRQWSSAU-NSHDSACASA-N 1 0 241.360 0.844 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CCN2CCCOCC2)C1 ZINC000349362267 136343361 /nfs/dbraw/zinc/34/33/61/136343361.db2.gz CPFNYNOTPPLZIN-OLZOCXBDSA-N 1 0 237.347 0.991 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641083296 362203747 /nfs/dbraw/zinc/20/37/47/362203747.db2.gz ANVBVAPGSSGLBT-ZYHUDNBSSA-N 1 0 236.319 0.855 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C1([NH+](C)C)CC1 ZINC000616409102 343425412 /nfs/dbraw/zinc/42/54/12/343425412.db2.gz IDMFBGJQYQWVCE-QWRGUYRKSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCn1cc(CNC(=O)C2([NH+](C)C)CC2)nn1 ZINC000616410852 343425429 /nfs/dbraw/zinc/42/54/29/343425429.db2.gz MAUWGSGOKYJBAO-UHFFFAOYSA-N 1 0 249.318 0.175 20 30 BCEDRO C=C(C)[C@H](CO)n1cc(CCCC[NH3+])nn1 ZINC000641084998 362207234 /nfs/dbraw/zinc/20/72/34/362207234.db2.gz XOSGOZPELUHUMQ-NSHDSACASA-N 1 0 224.308 0.669 20 30 BCEDRO C=CCOCCNC(=O)NCC1CC[NH2+]CC1 ZINC000669555380 488216718 /nfs/dbraw/zinc/21/67/18/488216718.db2.gz UIVMXQYOHMGPFK-UHFFFAOYSA-N 1 0 241.335 0.488 20 30 BCEDRO C[NH2+]CCNS(=O)(=O)c1ccccc1C#N ZINC000054244595 343427842 /nfs/dbraw/zinc/42/78/42/343427842.db2.gz JMKWTOATXVSIQQ-UHFFFAOYSA-N 1 0 239.300 0.056 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000669555366 488216816 /nfs/dbraw/zinc/21/68/16/488216816.db2.gz TYKYRYYZLBBAIA-LLVKDONJSA-N 1 0 243.351 0.862 20 30 BCEDRO O=C(NCC[NH+]1CCC1)N[C@H]1CCCOC1 ZINC000328735348 136341373 /nfs/dbraw/zinc/34/13/73/136341373.db2.gz YYVDYTINYCWISS-JTQLQIEISA-N 1 0 227.308 0.375 20 30 BCEDRO C=CCN(C(=O)[C@@]1(COC)CC[NH2+]C1)C1CC1 ZINC000310342965 343450449 /nfs/dbraw/zinc/45/04/49/343450449.db2.gz NBOYGQMHDZZANY-ZDUSSCGKSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000335898406 136359657 /nfs/dbraw/zinc/35/96/57/136359657.db2.gz PHSAAPDCNVJDAN-GFCCVEGCSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCN1CC[C@@H](n2cc([C@@H]([NH3+])CC)nn2)C1=O ZINC000641108085 362228066 /nfs/dbraw/zinc/22/80/66/362228066.db2.gz IIWJSBGSZQNGOQ-GXSJLCMTSA-N 1 0 249.318 0.647 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308925499 346941782 /nfs/dbraw/zinc/94/17/82/346941782.db2.gz DECHTLZDDNJRMK-ZJUUUORDSA-N 1 0 207.277 0.570 20 30 BCEDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CC1(CC#N)CC1 ZINC000602895623 349812507 /nfs/dbraw/zinc/81/25/07/349812507.db2.gz BHUGCPSZXLRBMK-QWRGUYRKSA-N 1 0 224.304 0.498 20 30 BCEDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1ccnc(C#N)n1 ZINC000310549175 343530129 /nfs/dbraw/zinc/53/01/29/343530129.db2.gz FUIMVEWGEYWDNH-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO COCC[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)CC#N ZINC000310567343 343538356 /nfs/dbraw/zinc/53/83/56/343538356.db2.gz YCAXYQAYYDXXLB-NWDGAFQWSA-N 1 0 243.351 0.159 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000491619462 259367619 /nfs/dbraw/zinc/36/76/19/259367619.db2.gz BBWJQUSZZJYXRV-CHWSQXEVSA-N 1 0 247.342 0.653 20 30 BCEDRO C[C@]12C[N@H+](CCCCC#N)C[C@@]1(C)C(=O)NC2=O ZINC000602936430 349824342 /nfs/dbraw/zinc/82/43/42/349824342.db2.gz PJZUMIUFEXYAIZ-BETUJISGSA-N 1 0 249.314 0.665 20 30 BCEDRO C[N@@H+]1CCN(c2cnc(C#N)cn2)CC1(C)C ZINC000071179110 343626426 /nfs/dbraw/zinc/62/64/26/343626426.db2.gz UQXZPOXNKBAFDH-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(C)[C@H]1CCC[C@H]1C#N ZINC000602982744 349834715 /nfs/dbraw/zinc/83/47/15/349834715.db2.gz XOQARPXSLBNOOV-AVGNSLFASA-N 1 0 239.363 0.923 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000087595123 343654155 /nfs/dbraw/zinc/65/41/55/343654155.db2.gz RNCIDZHWBPKPRC-SECBINFHSA-N 1 0 209.293 0.876 20 30 BCEDRO C#C[C@H](CC)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000491628972 259368041 /nfs/dbraw/zinc/36/80/41/259368041.db2.gz LVSRCYFZYQBPBM-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO CC#CCN1C[C@@H](OC)C[C@@]1(C)C(=O)OC ZINC000602953085 349829029 /nfs/dbraw/zinc/82/90/29/349829029.db2.gz PODNWTNIFYYXEA-JQWIXIFHSA-N 1 0 225.288 0.662 20 30 BCEDRO Cc1ncc([C@@H](C)[NH2+]CC(=O)NCC#N)s1 ZINC000602957358 349829941 /nfs/dbraw/zinc/82/99/41/349829941.db2.gz SDYXOAQLVJNZRY-SSDOTTSWSA-N 1 0 238.316 0.742 20 30 BCEDRO COC[C@H](O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309044085 346958195 /nfs/dbraw/zinc/95/81/95/346958195.db2.gz NEBDMBIXRAKSRZ-GARJFASQSA-N 1 0 212.293 0.666 20 30 BCEDRO CC#CC[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000339757036 343703008 /nfs/dbraw/zinc/70/30/08/343703008.db2.gz FWCFQDBERNWSQT-OLZOCXBDSA-N 1 0 223.316 0.919 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@]1(CO)CCOC1 ZINC000380240702 343711188 /nfs/dbraw/zinc/71/11/88/343711188.db2.gz NFSNVTLNFXQXJB-MNOVXSKESA-N 1 0 212.293 0.667 20 30 BCEDRO Oc1ccccc1/C=N/C[C@H]1C[NH+]2CCN1CC2 ZINC000178981067 346969510 /nfs/dbraw/zinc/96/95/10/346969510.db2.gz TXOIKWWZRJGNBA-NCPSJORJSA-N 1 0 245.326 0.811 20 30 BCEDRO [NH2+]=C(NCCCc1ccccn1)N1CCOCC1 ZINC000178767460 346965236 /nfs/dbraw/zinc/96/52/36/346965236.db2.gz PWRLVJQWXVVGRK-UHFFFAOYSA-N 1 0 248.330 0.661 20 30 BCEDRO CN(C)C(=[NH2+])NCCCc1ccccn1 ZINC000178767369 346965321 /nfs/dbraw/zinc/96/53/21/346965321.db2.gz ORGDBNAJNSDNQW-UHFFFAOYSA-N 1 0 206.293 0.891 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000624415279 343778174 /nfs/dbraw/zinc/77/81/74/343778174.db2.gz ZAUGOFPASWAMMC-DTWKUNHWSA-N 1 0 218.322 0.232 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@@H]([NH3+])CC ZINC000418730720 192065521 /nfs/dbraw/zinc/06/55/21/192065521.db2.gz PAYFXRHFGCRVDH-ZJUUUORDSA-N 1 0 229.324 0.208 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000603087021 349865461 /nfs/dbraw/zinc/86/54/61/349865461.db2.gz NHXOUKVCDZSBNR-JFGNBEQYSA-N 1 0 224.304 0.354 20 30 BCEDRO N#CCSCCC[N@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603088720 349866315 /nfs/dbraw/zinc/86/63/15/349866315.db2.gz OGVDSXNJBMAIMJ-UWVGGRQHSA-N 1 0 212.318 0.700 20 30 BCEDRO C=CCOCC(=O)NC[C@H](C)[NH+](C)C ZINC000354581495 133505623 /nfs/dbraw/zinc/50/56/23/133505623.db2.gz PTNIXGGYGRZYIV-VIFPVBQESA-N 1 0 200.282 0.255 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc(CCC[NH3+])nn1 ZINC000603234649 349892377 /nfs/dbraw/zinc/89/23/77/349892377.db2.gz MLVPWXRVSWEUQS-VIFPVBQESA-N 1 0 224.264 0.070 20 30 BCEDRO CCN(CC[NH3+])C(=O)COc1ccc(C#N)cc1 ZINC000602535027 343896148 /nfs/dbraw/zinc/89/61/48/343896148.db2.gz LRYGAFQHIDFZLG-UHFFFAOYSA-N 1 0 247.298 0.744 20 30 BCEDRO C[NH2+][C@H](C)c1cn(CC2(C#N)CC2)nn1 ZINC000603226483 349889150 /nfs/dbraw/zinc/88/91/50/349889150.db2.gz BQWROMOHTVCTNB-MRVPVSSYSA-N 1 0 205.265 0.862 20 30 BCEDRO COCC[NH2+]CCc1cn(CC2(C#N)CC2)nn1 ZINC000603227914 349889752 /nfs/dbraw/zinc/88/97/52/349889752.db2.gz UIZJWFFSKOREOV-UHFFFAOYSA-N 1 0 249.318 0.360 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc(CCCC[NH3+])nn1 ZINC000603231986 349891955 /nfs/dbraw/zinc/89/19/55/349891955.db2.gz BWOJJUYVNJLWIR-JTQLQIEISA-N 1 0 238.291 0.460 20 30 BCEDRO CNC(=[NH2+])NCc1cn2c(cccc2C)n1 ZINC000069673456 343941932 /nfs/dbraw/zinc/94/19/32/343941932.db2.gz CLFBCCFZDRDFTR-UHFFFAOYSA-N 1 0 217.276 0.677 20 30 BCEDRO C[C@@H](CO)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602655959 343946200 /nfs/dbraw/zinc/94/62/00/343946200.db2.gz JBPSIPCWDPIMAZ-VIFPVBQESA-N 1 0 205.261 0.766 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccc(C#N)nc1 ZINC000602596575 343929483 /nfs/dbraw/zinc/92/94/83/343929483.db2.gz QCCIRRLYBYTTES-MWLCHTKSSA-N 1 0 244.298 0.444 20 30 BCEDRO C=C(C)COCC[NH2+][C@@H](C)CC(N)=O ZINC000090451208 343932100 /nfs/dbraw/zinc/93/21/00/343932100.db2.gz ZSVSXIZKINXXKL-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO C[NH2+][C@@H](C)c1cn(Cc2nc(C#N)cs2)nn1 ZINC000603249240 349899106 /nfs/dbraw/zinc/89/91/06/349899106.db2.gz PNEQKVFBTGSMLY-ZETCQYMHSA-N 1 0 248.315 0.935 20 30 BCEDRO C=CCC[C@H](O)Cn1cc(COCC[NH3+])nn1 ZINC000641213223 362274937 /nfs/dbraw/zinc/27/49/37/362274937.db2.gz ZIMYYPOZTAODPC-NSHDSACASA-N 1 0 240.307 0.081 20 30 BCEDRO CCCN(CC(N)=O)Cc1cccc(C#N)n1 ZINC000602670384 343955230 /nfs/dbraw/zinc/95/52/30/343955230.db2.gz OEVOHRBGAKMXKK-UHFFFAOYSA-N 1 0 232.287 0.651 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092630723 343960479 /nfs/dbraw/zinc/96/04/79/343960479.db2.gz QKCFNTLZZVURIL-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CC[C@H]1CC[N@H+](CC(=O)N2CCOCC2)C1 ZINC000625703127 344047443 /nfs/dbraw/zinc/04/74/43/344047443.db2.gz YNZHXRRXICRWRM-LBPRGKRZSA-N 1 0 238.331 0.743 20 30 BCEDRO C#CCSCCNC(=O)C[NH+](CC)CC ZINC000156112142 166201478 /nfs/dbraw/zinc/20/14/78/166201478.db2.gz FDPZFJYESOILJY-UHFFFAOYSA-N 1 0 228.361 0.811 20 30 BCEDRO N#CC1(Cn2cc(CCC[NH3+])nn2)CCC1 ZINC000603254981 349900383 /nfs/dbraw/zinc/90/03/83/349900383.db2.gz CSAHLOBKMPEWNT-UHFFFAOYSA-N 1 0 219.292 0.863 20 30 BCEDRO C=CCC[NH2+]C[C@H](O)CCC(=O)OCC ZINC000395167263 344109629 /nfs/dbraw/zinc/10/96/29/344109629.db2.gz UUMSNYACYACZKX-SNVBAGLBSA-N 1 0 215.293 0.856 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc([C@@H](C)[NH2+]C)nn1 ZINC000603238390 349904179 /nfs/dbraw/zinc/90/41/79/349904179.db2.gz WROUXNYKVVEPAU-VXNVDRBHSA-N 1 0 224.264 0.459 20 30 BCEDRO C[C@H](CC#N)NS(=O)(=O)CCn1ccnc1 ZINC000603280001 349906334 /nfs/dbraw/zinc/90/63/34/349906334.db2.gz JSPIAKJUAFGXEM-SECBINFHSA-N 1 0 242.304 0.105 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)c2ccc(C#N)cn2)C1 ZINC000590356160 347031911 /nfs/dbraw/zinc/03/19/11/347031911.db2.gz RCZAKAHIYSMMBT-UHFFFAOYSA-N 1 0 244.298 0.776 20 30 BCEDRO N#Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)ncn1 ZINC000309316316 347032547 /nfs/dbraw/zinc/03/25/47/347032547.db2.gz PJGWOCSDHGQIPT-IUCAKERBSA-N 1 0 215.260 0.004 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)C2(C#N)CCC2)C1 ZINC000588828717 344194194 /nfs/dbraw/zinc/19/41/94/344194194.db2.gz SBUKDUQZHMBUPQ-UHFFFAOYSA-N 1 0 221.304 0.889 20 30 BCEDRO C[NH+](C)C[C@H](CO)NC(=O)C1(C#N)CCCC1 ZINC000588863823 344195963 /nfs/dbraw/zinc/19/59/63/344195963.db2.gz WOIZWOSYXXWYMD-SNVBAGLBSA-N 1 0 239.319 0.109 20 30 BCEDRO C[C@@H]1C[C@@H](NC(=O)CSCC#N)CC[N@@H+]1C ZINC000408222467 344260953 /nfs/dbraw/zinc/26/09/53/344260953.db2.gz AONXDXXDZHKIHY-ZJUUUORDSA-N 1 0 241.360 0.842 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CCn1cccn1 ZINC000294000563 344297300 /nfs/dbraw/zinc/29/73/00/344297300.db2.gz OUSXYBHVYHIMPN-UHFFFAOYSA-N 1 0 248.330 0.345 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cscn1 ZINC000293939629 344276194 /nfs/dbraw/zinc/27/61/94/344276194.db2.gz IYFFHUCCKHBUPB-UHFFFAOYSA-N 1 0 237.328 0.828 20 30 BCEDRO C=CCCOCC(=O)N[C@]12CCC[C@@H]1C[NH2+]C2 ZINC000634767471 344278591 /nfs/dbraw/zinc/27/85/91/344278591.db2.gz XUWDYYXPVKXILT-YPMHNXCESA-N 1 0 238.331 0.837 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000290413598 344282317 /nfs/dbraw/zinc/28/23/17/344282317.db2.gz AAFYNHWVEDQCJZ-BBBLOLIVSA-N 1 0 214.309 0.690 20 30 BCEDRO CC(C)(O)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600733865 344364653 /nfs/dbraw/zinc/36/46/53/344364653.db2.gz FZNQTQDPGNRLMM-JTQLQIEISA-N 1 0 226.320 0.792 20 30 BCEDRO COC[C@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)OC ZINC000600735677 344364992 /nfs/dbraw/zinc/36/49/92/344364992.db2.gz PCIKLSHFYDEIBI-QWRGUYRKSA-N 1 0 242.319 0.292 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000600736538 344365681 /nfs/dbraw/zinc/36/56/81/344365681.db2.gz BMLGBTUWKOSRJF-TUAOUCFPSA-N 1 0 238.331 0.934 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000600737529 344365965 /nfs/dbraw/zinc/36/59/65/344365965.db2.gz VSYRMJPQOFSGGW-SRVKXCTJSA-N 1 0 238.331 0.934 20 30 BCEDRO CC[C@H](O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600738571 344366627 /nfs/dbraw/zinc/36/66/27/344366627.db2.gz LKNVRWMBLRXOEQ-VHSXEESVSA-N 1 0 212.293 0.402 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CC2=CCCOC2)CC1 ZINC000600739222 344366631 /nfs/dbraw/zinc/36/66/31/344366631.db2.gz AHMVGBZLFFGCKR-GFCCVEGCSA-N 1 0 236.315 0.977 20 30 BCEDRO CC[C@@H](O)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600743427 344367342 /nfs/dbraw/zinc/36/73/42/344367342.db2.gz MEWCEPHEHCUVRV-MNOVXSKESA-N 1 0 226.320 0.792 20 30 BCEDRO CC[C@H](CCO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600741629 344367368 /nfs/dbraw/zinc/36/73/68/344367368.db2.gz GDYKALPTPIRKDZ-GHMZBOCLSA-N 1 0 226.320 0.792 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CC2=CCOCC2)CC1 ZINC000600741173 344367380 /nfs/dbraw/zinc/36/73/80/344367380.db2.gz ZHCSZYLFJRBLJA-GFCCVEGCSA-N 1 0 236.315 0.977 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600742007 344367449 /nfs/dbraw/zinc/36/74/49/344367449.db2.gz HZCYGACQNABXTO-NWDGAFQWSA-N 1 0 238.331 0.958 20 30 BCEDRO CC(C)[C@@H](O)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600741692 344367466 /nfs/dbraw/zinc/36/74/66/344367466.db2.gz HEVVHDPNDHRXMU-QWRGUYRKSA-N 1 0 226.320 0.648 20 30 BCEDRO CCC[C@@H](O)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600743203 344367559 /nfs/dbraw/zinc/36/75/59/344367559.db2.gz LDKNZSBDYNNOQZ-MNOVXSKESA-N 1 0 226.320 0.792 20 30 BCEDRO C[C@H](Cn1ccnc1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600715707 344362273 /nfs/dbraw/zinc/36/22/73/344362273.db2.gz HPYMFEGQVQTUCT-VXGBXAGGSA-N 1 0 248.330 0.916 20 30 BCEDRO CN1CCC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600729327 344363994 /nfs/dbraw/zinc/36/39/94/344363994.db2.gz XTLWKZKVGLIJKM-VXGBXAGGSA-N 1 0 237.347 0.725 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccon1 ZINC000294030078 344309727 /nfs/dbraw/zinc/30/97/27/344309727.db2.gz RJWLWNHIMPKMJU-UHFFFAOYSA-N 1 0 221.260 0.360 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H](O)C2CCC2)CC1 ZINC000600746389 344368711 /nfs/dbraw/zinc/36/87/11/344368711.db2.gz JEQVAVNPJBEIMX-NEPJUHHUSA-N 1 0 238.331 0.792 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2C[C@@H](O)C2)CC1 ZINC000600746320 344368733 /nfs/dbraw/zinc/36/87/33/344368733.db2.gz WVAAXQPHBBZKCY-AEJSXWLSSA-N 1 0 210.277 0.154 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](O)C2CCC2)CC1 ZINC000600746399 344368759 /nfs/dbraw/zinc/36/87/59/344368759.db2.gz JEQVAVNPJBEIMX-RYUDHWBXSA-N 1 0 238.331 0.792 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2C[C@H](O)C2)CC1 ZINC000600747387 344368900 /nfs/dbraw/zinc/36/89/00/344368900.db2.gz WVAAXQPHBBZKCY-OPRDCNLKSA-N 1 0 210.277 0.154 20 30 BCEDRO CN1CCOC[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000600755244 344369217 /nfs/dbraw/zinc/36/92/17/344369217.db2.gz IOCBHEWHPAYNGP-NWDGAFQWSA-N 1 0 236.319 0.350 20 30 BCEDRO C[C@H](C#N)CNC(=O)C[N@H+](C)C1CCC1 ZINC000600820099 344379312 /nfs/dbraw/zinc/37/93/12/344379312.db2.gz CMHVEUBQUYXRBY-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[N@H+](CC(=O)N1CC(C)(C#N)C1)C1CCC1 ZINC000600826513 344381386 /nfs/dbraw/zinc/38/13/86/344381386.db2.gz OPICKTGLFQFDGB-UHFFFAOYSA-N 1 0 221.304 0.843 20 30 BCEDRO COc1cc(C[NH2+][C@@H](C)CC(N)=O)ccc1C#N ZINC000234851404 344392723 /nfs/dbraw/zinc/39/27/23/344392723.db2.gz DTGQVGYAHFVTOB-VIFPVBQESA-N 1 0 247.298 0.920 20 30 BCEDRO C[C@H]1C[N@H+](C)CCN1c1ccnc(C#N)n1 ZINC000380839552 344443170 /nfs/dbraw/zinc/44/31/70/344443170.db2.gz TULBKLFJABLLPR-VIFPVBQESA-N 1 0 217.276 0.489 20 30 BCEDRO C#CCN(C(=O)NCCC[NH3+])C1CCCC1 ZINC000491711512 259376012 /nfs/dbraw/zinc/37/60/12/259376012.db2.gz VKFNPQSONLHNFY-UHFFFAOYSA-N 1 0 223.320 0.923 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H]2COCCO2)o1 ZINC000135482310 344459421 /nfs/dbraw/zinc/45/94/21/344459421.db2.gz JGSODMILFWOTCA-LLVKDONJSA-N 1 0 222.244 0.656 20 30 BCEDRO C=CCCS(=O)(=O)NCCC[NH2+]CC ZINC000380160078 344460765 /nfs/dbraw/zinc/46/07/65/344460765.db2.gz AZCDJNIUOUYQTI-UHFFFAOYSA-N 1 0 220.338 0.482 20 30 BCEDRO COC[C@H](C)C[NH2+]CCn1cnc(C#N)n1 ZINC000381453533 344506930 /nfs/dbraw/zinc/50/69/30/344506930.db2.gz IIIHTZRLDJUAFJ-SECBINFHSA-N 1 0 223.280 0.022 20 30 BCEDRO C[C@@H]([NH2+]Cc1ccc(C#N)s1)C(N)=O ZINC000135496010 344486940 /nfs/dbraw/zinc/48/69/40/344486940.db2.gz SXZIMANHSUYUIJ-ZCFIWIBFSA-N 1 0 209.274 0.583 20 30 BCEDRO C[NH2+]Cc1cn(Cc2ccc(C#N)cc2)nn1 ZINC000072155601 344500520 /nfs/dbraw/zinc/50/05/20/344500520.db2.gz VHVAAKLZTNHEKI-UHFFFAOYSA-N 1 0 227.271 0.917 20 30 BCEDRO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CCS1(=O)=O ZINC000381494504 344513004 /nfs/dbraw/zinc/51/30/04/344513004.db2.gz ZSWGVNNZDNHRIA-GWOFURMSSA-N 1 0 242.344 0.844 20 30 BCEDRO N#CCC[C@@H](C#N)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381501261 344513452 /nfs/dbraw/zinc/51/34/52/344513452.db2.gz PHTQFKMSEJJERV-SDDRHHMPSA-N 1 0 218.304 0.581 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@H]2CCCC(=O)N2)C1 ZINC000381628197 344527509 /nfs/dbraw/zinc/52/75/09/344527509.db2.gz NGQBVDIERBLYCF-MXWKQRLJSA-N 1 0 221.304 0.937 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000109792247 344534837 /nfs/dbraw/zinc/53/48/37/344534837.db2.gz OKHDDJAFJVMVPK-UHFFFAOYSA-N 1 0 248.330 0.822 20 30 BCEDRO CC[NH+]1CCC(CNC(=O)CC#N)CC1 ZINC000044526864 344541505 /nfs/dbraw/zinc/54/15/05/344541505.db2.gz JKDLSTZVNFSITN-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)C(C)(C)C#N ZINC000044752733 344545935 /nfs/dbraw/zinc/54/59/35/344545935.db2.gz DFOFCRBBZPCLOT-SECBINFHSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@H](C#N)C(=O)NCC(C)(C)C[NH+](C)C ZINC000044809433 344548896 /nfs/dbraw/zinc/54/88/96/344548896.db2.gz VONPZCOPRYOEDS-SECBINFHSA-N 1 0 211.309 0.850 20 30 BCEDRO C[C@H](C#N)C[N@H+](C)CC[C@H]1CCNC1=O ZINC000395855346 344566192 /nfs/dbraw/zinc/56/61/92/344566192.db2.gz OSWIRTWJGORFOO-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO C[C@@H](C#N)C[N@H+](C)CC[C@H]1CCNC1=O ZINC000395855349 344566326 /nfs/dbraw/zinc/56/63/26/344566326.db2.gz OSWIRTWJGORFOO-VHSXEESVSA-N 1 0 209.293 0.604 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](CC)Cn1cncn1 ZINC000491784425 259378170 /nfs/dbraw/zinc/37/81/70/259378170.db2.gz PLVUDYNDPLCRJV-ZDUSSCGKSA-N 1 0 249.362 0.601 20 30 BCEDRO CCNC(=O)CC[N@H+](CC)C[C@H](C)C#N ZINC000049572979 344653742 /nfs/dbraw/zinc/65/37/42/344653742.db2.gz PXHMXSWIFLLMID-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO COCC#CCN1CCO[C@H](CCF)C1 ZINC000626004671 344666130 /nfs/dbraw/zinc/66/61/30/344666130.db2.gz MBFUXIQPFPNUOP-LLVKDONJSA-N 1 0 215.268 0.697 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000625974323 344638242 /nfs/dbraw/zinc/63/82/42/344638242.db2.gz XTVPIIBQWYBGDY-WDCWCFNPSA-N 1 0 226.320 0.690 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973104 344638416 /nfs/dbraw/zinc/63/84/16/344638416.db2.gz IJAPFYIYPFFNKN-UPJWGTAASA-N 1 0 243.347 0.236 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CCO)CCCCC ZINC000112411679 344644032 /nfs/dbraw/zinc/64/40/32/344644032.db2.gz OOMBOETYRWSWBK-UHFFFAOYSA-N 1 0 228.336 0.773 20 30 BCEDRO CNS(=O)(=O)CC[NH2+]CC(C)(C)CCC#N ZINC000190305188 530017777 /nfs/dbraw/zinc/01/77/77/530017777.db2.gz SVNBDCIAHUYRRC-UHFFFAOYSA-N 1 0 247.364 0.455 20 30 BCEDRO C=CCCC[NH+]1CCC(NS(N)(=O)=O)CC1 ZINC000626034125 344684935 /nfs/dbraw/zinc/68/49/35/344684935.db2.gz OXIXSYBUPOFFIV-UHFFFAOYSA-N 1 0 247.364 0.210 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000626038244 344689509 /nfs/dbraw/zinc/68/95/09/344689509.db2.gz ZMSIMRFBNZVMKV-OUAUKWLOSA-N 1 0 226.320 0.509 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626043353 344694313 /nfs/dbraw/zinc/69/43/13/344694313.db2.gz NSZVMRYADYYNCN-MXWKQRLJSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H]2C[C@@H](O)C2)C1=O ZINC000626046837 344697740 /nfs/dbraw/zinc/69/77/40/344697740.db2.gz TZYQDDSAPVTODA-GRYCIOLGSA-N 1 0 238.331 0.476 20 30 BCEDRO C[C@H](C#N)CNC(=O)C1CC[NH+](C)CC1 ZINC000259957742 344701842 /nfs/dbraw/zinc/70/18/42/344701842.db2.gz LLLYPOLGMHSTFC-SECBINFHSA-N 1 0 209.293 0.604 20 30 BCEDRO C=C(C)[C@@H](CO)N1CC[NH+](CCCF)CC1 ZINC000626070806 344714172 /nfs/dbraw/zinc/71/41/72/344714172.db2.gz CFSSHJIIOKBETH-GFCCVEGCSA-N 1 0 230.327 0.901 20 30 BCEDRO C=CCCC[NH+]1CCN(C(=O)COC)CC1 ZINC000117873434 344759080 /nfs/dbraw/zinc/75/90/80/344759080.db2.gz YGDCUXDTWXMNML-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO Cc1noc(CCCNC(=[NH2+])NC2CC2)n1 ZINC000076105903 344794475 /nfs/dbraw/zinc/79/44/75/344794475.db2.gz JTSDVOSLJLDDDE-UHFFFAOYSA-N 1 0 223.280 0.377 20 30 BCEDRO CNC(=[NH2+])NCC(=O)N1CCc2ccccc2C1 ZINC000076105790 344794739 /nfs/dbraw/zinc/79/47/39/344794739.db2.gz QFTWWFCTCZBETC-UHFFFAOYSA-N 1 0 246.314 0.105 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNC(=O)C1(C#N)CCC1 ZINC000153338586 344853509 /nfs/dbraw/zinc/85/35/09/344853509.db2.gz HWQBUUCBGUVQFY-LLVKDONJSA-N 1 0 239.319 0.109 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000274787748 166208713 /nfs/dbraw/zinc/20/87/13/166208713.db2.gz KTPPDXALUHXKTM-GHMZBOCLSA-N 1 0 235.331 0.958 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000153282870 344844879 /nfs/dbraw/zinc/84/48/79/344844879.db2.gz PIDZSOXILKTNSB-VXGBXAGGSA-N 1 0 235.331 0.745 20 30 BCEDRO C=CCN(C)CC(=O)N(CCC#N)CCC#N ZINC000121523450 344928050 /nfs/dbraw/zinc/92/80/50/344928050.db2.gz VOPFEHMBOUZZOM-UHFFFAOYSA-N 1 0 234.303 0.760 20 30 BCEDRO C[NH+](C)[C@H](CNC(=O)C(C)(C)C#N)C1CC1 ZINC000079048666 344933175 /nfs/dbraw/zinc/93/31/75/344933175.db2.gz ZAUIWBGKTNBJCI-SNVBAGLBSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CCOCC(=O)N[C@@H](CC[NH3+])C(F)(F)F ZINC000583435454 344952868 /nfs/dbraw/zinc/95/28/68/344952868.db2.gz DTTRGUOCDNWZIT-ZETCQYMHSA-N 1 0 240.225 0.585 20 30 BCEDRO C=CCOCCCC(=O)NCCC[NH3+] ZINC000238068180 344959468 /nfs/dbraw/zinc/95/94/68/344959468.db2.gz GIHDIDJMCVSGOQ-UHFFFAOYSA-N 1 0 200.282 0.434 20 30 BCEDRO Cc1ccc(CNC(N)=[NH2+])c(O[C@@H]2CCOC2)c1 ZINC000124355125 345038881 /nfs/dbraw/zinc/03/88/81/345038881.db2.gz VHGLIRNMJCOJHU-LLVKDONJSA-N 1 0 249.314 0.936 20 30 BCEDRO C[C@@H](C#N)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000155061970 345065354 /nfs/dbraw/zinc/06/53/54/345065354.db2.gz MADGDFIRVSOEAP-DTWKUNHWSA-N 1 0 227.333 0.452 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634975094 345150210 /nfs/dbraw/zinc/15/02/10/345150210.db2.gz RBPMBUJYTHAWCW-MNOVXSKESA-N 1 0 226.320 0.429 20 30 BCEDRO C[C@H](NC(=O)CC#N)C1=CC[N@H+](C)CC1 ZINC000408324346 345156802 /nfs/dbraw/zinc/15/68/02/345156802.db2.gz LALJUTIWJODUGG-VIFPVBQESA-N 1 0 207.277 0.667 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000367778281 345219206 /nfs/dbraw/zinc/21/92/06/345219206.db2.gz KJUVOUFAOPMYLO-IUCAKERBSA-N 1 0 236.312 0.182 20 30 BCEDRO CS(=O)(=O)C1(C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1 ZINC000331450124 345268419 /nfs/dbraw/zinc/26/84/19/345268419.db2.gz GRWYDLFVKIRTLP-VHSXEESVSA-N 1 0 242.344 0.845 20 30 BCEDRO C[NH+]=C(NCCc1nc(C)no1)NCC1CC1 ZINC000080517476 345275337 /nfs/dbraw/zinc/27/53/37/345275337.db2.gz WNUNJVLCMTYPJS-UHFFFAOYSA-N 1 0 237.307 0.496 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H]1C ZINC000248328384 345361371 /nfs/dbraw/zinc/36/13/71/345361371.db2.gz CTABDBUOPOGCAI-VWYCJHECSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CCNC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000080626365 345369843 /nfs/dbraw/zinc/36/98/43/345369843.db2.gz YXFHTRXQOXVMFZ-CYBMUJFWSA-N 1 0 249.358 0.993 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000381335732 345380255 /nfs/dbraw/zinc/38/02/55/345380255.db2.gz VPTSXJQUDWZCFA-ZJUUUORDSA-N 1 0 221.304 0.794 20 30 BCEDRO COc1ccc(NC(=[NH2+])NC[C@@H](C)O)cc1 ZINC000132373537 345328238 /nfs/dbraw/zinc/32/82/38/345328238.db2.gz IOJIDRGKPMFHFJ-MRVPVSSYSA-N 1 0 223.276 0.803 20 30 BCEDRO CC[C@@H](C(=O)N1CCOC[C@@H]1C#N)[NH+](C)C ZINC000408471545 345328895 /nfs/dbraw/zinc/32/88/95/345328895.db2.gz SRVSECQJXNHVMQ-UWVGGRQHSA-N 1 0 225.292 0.078 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)c1ccc(C#N)cc1 ZINC000082573697 345436671 /nfs/dbraw/zinc/43/66/71/345436671.db2.gz RBGKTEFCZXEWNS-QMMMGPOBSA-N 1 0 203.245 0.635 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCCCNC2=O)C1 ZINC000331688364 345438260 /nfs/dbraw/zinc/43/82/60/345438260.db2.gz WLYKFZVRSPJWCE-GMTAPVOTSA-N 1 0 221.304 0.937 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)CC[C@@H](C)O ZINC000135406670 345440517 /nfs/dbraw/zinc/44/05/17/345440517.db2.gz DNKWAFUHCYGAGE-GFCCVEGCSA-N 1 0 240.347 0.890 20 30 BCEDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccccc1C#N ZINC000082578366 345445173 /nfs/dbraw/zinc/44/51/73/345445173.db2.gz ILIOHANRXHWQIE-MRVPVSSYSA-N 1 0 239.300 0.184 20 30 BCEDRO C#CCNC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000080655485 345395357 /nfs/dbraw/zinc/39/53/57/345395357.db2.gz WHWWBFKYQCOSJT-QWRGUYRKSA-N 1 0 206.289 0.610 20 30 BCEDRO CNC(NC[C@](C)(O)c1ccc(F)cc1)=[NH+]C ZINC000134173398 345402143 /nfs/dbraw/zinc/40/21/43/345402143.db2.gz HMFXKLSPQHPMCE-LBPRGKRZSA-N 1 0 239.294 0.828 20 30 BCEDRO CC[NH+]=C(NCc1cnn(C)c1)N[C@@H]1C[C@H]1C ZINC000081820132 345493348 /nfs/dbraw/zinc/49/33/48/345493348.db2.gz TWDIZHVTVCBPFI-MWLCHTKSSA-N 1 0 235.335 0.884 20 30 BCEDRO N#CCn1cc(C[C@@H]([NH3+])Cc2ccccc2)nn1 ZINC000600973279 345546813 /nfs/dbraw/zinc/54/68/13/345546813.db2.gz SKFBZPQNYYMNGX-LBPRGKRZSA-N 1 0 241.298 0.914 20 30 BCEDRO C=CCCC[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000092843206 345644908 /nfs/dbraw/zinc/64/49/08/345644908.db2.gz KOOCTXKGROZMMU-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO CCc1nn(C)c(OC)c1CNC(NC)=[NH+]C ZINC000092848838 345644976 /nfs/dbraw/zinc/64/49/76/345644976.db2.gz NHRSVMJKHKCECP-UHFFFAOYSA-N 1 0 239.323 0.286 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])N(C)C ZINC000280479529 133555926 /nfs/dbraw/zinc/55/59/26/133555926.db2.gz ADYFHCSXMMFGLQ-ZJUUUORDSA-N 1 0 211.309 0.844 20 30 BCEDRO C=CCN(CC=C)C(=O)C1(C[NH3+])CCOCC1 ZINC000138157526 345739547 /nfs/dbraw/zinc/73/95/47/345739547.db2.gz ZVZRMFNYEPDVNY-UHFFFAOYSA-N 1 0 238.331 0.943 20 30 BCEDRO C#CC[N@@H+]1C[C@H](C(=O)NCCOC)CC[C@H]1C ZINC000144309560 345708687 /nfs/dbraw/zinc/70/86/87/345708687.db2.gz IDFGQAPZAZMZOQ-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO N#Cc1cccc(OC[C@@H]2C[NH2+]CCO2)c1 ZINC000070649769 345794715 /nfs/dbraw/zinc/79/47/15/345794715.db2.gz CEZUECZJYMZCML-LBPRGKRZSA-N 1 0 218.256 0.925 20 30 BCEDRO COCC#CC[N@@H+]1CCCC[C@H]1CNC(C)=O ZINC000626158218 345899777 /nfs/dbraw/zinc/89/97/77/345899777.db2.gz MCRRFCQDXNVMQC-ZDUSSCGKSA-N 1 0 238.331 0.627 20 30 BCEDRO CSCCN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000563207556 323101928 /nfs/dbraw/zinc/10/19/28/323101928.db2.gz PPDJVIFOZJTJKH-SECBINFHSA-N 1 0 229.349 0.829 20 30 BCEDRO C[C@@H](C#N)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601018955 345996884 /nfs/dbraw/zinc/99/68/84/345996884.db2.gz ZJAXDVGLGBYWQT-VIFPVBQESA-N 1 0 235.291 0.087 20 30 BCEDRO C=CCN(CCOC)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635848045 346089396 /nfs/dbraw/zinc/08/93/96/346089396.db2.gz IKSWNYOPJGLBLH-GFCCVEGCSA-N 1 0 240.347 0.989 20 30 BCEDRO CC(C)C[C@@H](C(=O)NCC#CCO)n1ccnc1 ZINC000635900660 346106565 /nfs/dbraw/zinc/10/65/65/346106565.db2.gz QAFFPFRQRSATLU-LBPRGKRZSA-N 1 0 249.314 0.582 20 30 BCEDRO O=C(NCC#CCO)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000635900611 346106567 /nfs/dbraw/zinc/10/65/67/346106567.db2.gz OHXSTAOZBVMZOU-GFCCVEGCSA-N 1 0 236.315 0.115 20 30 BCEDRO CC#CCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000635777633 346062965 /nfs/dbraw/zinc/06/29/65/346062965.db2.gz HHURJLZSUMYHCQ-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H](C)[NH+](C)C ZINC000635991295 346141848 /nfs/dbraw/zinc/14/18/48/346141848.db2.gz HXBLUYHGNGTLJO-BBBLOLIVSA-N 1 0 212.293 0.396 20 30 BCEDRO CC#CCN(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000635969268 346127576 /nfs/dbraw/zinc/12/75/76/346127576.db2.gz BNXBYFCWOWYLFC-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO CC#CCN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000635970229 346127804 /nfs/dbraw/zinc/12/78/04/346127804.db2.gz KWZLSCLYAKVFLV-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1ccncc1N ZINC000641746369 362672722 /nfs/dbraw/zinc/67/27/22/362672722.db2.gz VXPOANLEARPJGQ-UHFFFAOYSA-N 1 0 220.276 0.056 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1nccnc1OC ZINC000641753097 362678952 /nfs/dbraw/zinc/67/89/52/362678952.db2.gz ZMZKJTWKCSCBMA-VIFPVBQESA-N 1 0 223.276 0.512 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000636112121 346323557 /nfs/dbraw/zinc/32/35/57/346323557.db2.gz OTYQFVDNDUQYFS-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1nc(C)ccc1O ZINC000641769024 362708870 /nfs/dbraw/zinc/70/88/70/362708870.db2.gz OCIHXAJECMHCOM-NSHDSACASA-N 1 0 234.299 0.960 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1ccncc1N ZINC000641766673 362699779 /nfs/dbraw/zinc/69/97/79/362699779.db2.gz ADUAFRDBTWIYHW-LLVKDONJSA-N 1 0 219.288 0.528 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cncn1C ZINC000641769608 362704017 /nfs/dbraw/zinc/70/40/17/362704017.db2.gz VYMGIEFFZGVEQV-SNVBAGLBSA-N 1 0 207.277 0.284 20 30 BCEDRO C=CC[C@H](CC)NC(=O)C(=O)NCC[NH2+]CC ZINC000419134791 192101567 /nfs/dbraw/zinc/10/15/67/192101567.db2.gz JMDDVQUKEFFJBL-JTQLQIEISA-N 1 0 241.335 0.183 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419138686 192101628 /nfs/dbraw/zinc/10/16/28/192101628.db2.gz RBIVWZIGGFTTFC-SECBINFHSA-N 1 0 241.335 0.311 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1c(C2CC2)cnn1C ZINC000641774991 362714187 /nfs/dbraw/zinc/71/41/87/362714187.db2.gz RGQIXJCRRLOVEH-SNVBAGLBSA-N 1 0 221.304 0.934 20 30 BCEDRO C=CC[C@H](CC)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419135325 192101860 /nfs/dbraw/zinc/10/18/60/192101860.db2.gz LCPLKRJNGANSBB-UWVGGRQHSA-N 1 0 241.335 0.168 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](Nc2ccnc(C#N)n2)C1(C)C ZINC000603407304 349958198 /nfs/dbraw/zinc/95/81/98/349958198.db2.gz QMEPFGHAXPFMOA-ZJUUUORDSA-N 1 0 245.330 0.911 20 30 BCEDRO N#Cc1nccnc1NCC[C@H]1CCC[NH2+]1 ZINC000159289697 349958641 /nfs/dbraw/zinc/95/86/41/349958641.db2.gz LUWVFIZATGTDHB-SECBINFHSA-N 1 0 217.276 0.902 20 30 BCEDRO C[N@H+](CCNC(=O)[C@]1(O)CCSC1)C1CC1 ZINC000328963949 537975579 /nfs/dbraw/zinc/97/55/79/537975579.db2.gz LPMTXGGTKIGEDF-NSHDSACASA-N 1 0 244.360 0.905 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNc2cncc(C#N)n2)C1 ZINC000401205961 346449462 /nfs/dbraw/zinc/44/94/62/346449462.db2.gz CMVMNGZHWCDKDS-VIFPVBQESA-N 1 0 217.276 0.712 20 30 BCEDRO CCCCNC(=[NH2+])NCCCN1CCOC1=O ZINC000170914503 346479571 /nfs/dbraw/zinc/47/95/71/346479571.db2.gz LNBBKLFTSOJVHA-UHFFFAOYSA-N 1 0 242.323 0.533 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C1CCC1 ZINC000580064692 346504117 /nfs/dbraw/zinc/50/41/17/346504117.db2.gz PQBDRUOPTKSJJQ-NSHDSACASA-N 1 0 211.309 0.335 20 30 BCEDRO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H](C)[N@H+]1C ZINC000401237644 346501709 /nfs/dbraw/zinc/50/17/09/346501709.db2.gz SLRHLQHRVRLWFE-AOOOYVTPSA-N 1 0 231.303 0.877 20 30 BCEDRO CN1CC[C@](O)(C[NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000309553803 347099610 /nfs/dbraw/zinc/09/96/10/347099610.db2.gz JBFHXLYYSRFDEK-UTUOFQBUSA-N 1 0 223.320 0.335 20 30 BCEDRO C[C@@H]1C[C@H]1C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000580184761 346629941 /nfs/dbraw/zinc/62/99/41/346629941.db2.gz SNIFVGAKKRFQOH-GRYCIOLGSA-N 1 0 225.336 0.438 20 30 BCEDRO N#Cc1cccc(C(=O)NCC[NH+]2CCCC2)n1 ZINC000589608915 346717290 /nfs/dbraw/zinc/71/72/90/346717290.db2.gz SSRCOJFRSFHHNR-UHFFFAOYSA-N 1 0 244.298 0.779 20 30 BCEDRO C[N@H+](C[C@H](O)CN1CC[C@](F)(C#N)C1)C1CC1 ZINC000589261613 346682192 /nfs/dbraw/zinc/68/21/92/346682192.db2.gz CTYZDJFIJLKVRQ-RYUDHWBXSA-N 1 0 241.310 0.379 20 30 BCEDRO C[C@H]1C[C@@H](Nc2cncc(C#N)n2)CC[NH2+]1 ZINC000401536678 346782311 /nfs/dbraw/zinc/78/23/11/346782311.db2.gz YEGRNGMLMYJUEG-IUCAKERBSA-N 1 0 217.276 0.901 20 30 BCEDRO C=CCOCCC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000309731751 347150242 /nfs/dbraw/zinc/15/02/42/347150242.db2.gz BIOCOZOSYVRLDB-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO CNS(=O)(=O)CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000601299153 347175064 /nfs/dbraw/zinc/17/50/64/347175064.db2.gz JCYJNIPPRJDCBN-VHSXEESVSA-N 1 0 245.348 0.208 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC(F)(F)CO ZINC000184823805 347180504 /nfs/dbraw/zinc/18/05/04/347180504.db2.gz FEPSERZISKPWNZ-UHFFFAOYSA-N 1 0 207.224 0.094 20 30 BCEDRO CCNC(NCCn1cc(C)cn1)=[NH+]CC ZINC000118161319 347217041 /nfs/dbraw/zinc/21/70/41/347217041.db2.gz BYEPYHNSXGJBCN-UHFFFAOYSA-N 1 0 223.324 0.767 20 30 BCEDRO N#CCCN1CCN(C[C@@H]2CCC[NH2+]C2)CC1 ZINC000601333238 347225457 /nfs/dbraw/zinc/22/54/57/347225457.db2.gz QSGVDDOEPNETMW-CYBMUJFWSA-N 1 0 236.363 0.517 20 30 BCEDRO CN1CC[C@H]([N@@H+]2CCC[C@@H](CC#N)C2)C1=O ZINC000397600235 347230295 /nfs/dbraw/zinc/23/02/95/347230295.db2.gz LQHASOFCEMALGT-QWRGUYRKSA-N 1 0 221.304 0.843 20 30 BCEDRO C=CCC[N@@H+](C)CCC(=O)NC(=O)NC ZINC000276490989 166257572 /nfs/dbraw/zinc/25/75/72/166257572.db2.gz URYZJVMYOWXOMS-UHFFFAOYSA-N 1 0 213.281 0.340 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)COc1ccc(C#N)cc1 ZINC000192218572 347369711 /nfs/dbraw/zinc/36/97/11/347369711.db2.gz OTNGWKAWBNTUDR-ZDUSSCGKSA-N 1 0 244.294 0.863 20 30 BCEDRO N#CC1CN(C(=O)CCn2ccnc2)C1 ZINC000590486260 347377029 /nfs/dbraw/zinc/37/70/29/347377029.db2.gz WUTRCJCZRNHCRF-UHFFFAOYSA-N 1 0 204.233 0.255 20 30 BCEDRO CNC(=[NH2+])NCCOc1ccc(C)cc1 ZINC000195522170 347457098 /nfs/dbraw/zinc/45/70/98/347457098.db2.gz LLBINDWIORUHSG-UHFFFAOYSA-N 1 0 207.277 0.908 20 30 BCEDRO C[C@@H](C#N)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000336322500 347464948 /nfs/dbraw/zinc/46/49/48/347464948.db2.gz MSRUIAGPMSORKM-QMMMGPOBSA-N 1 0 214.228 0.976 20 30 BCEDRO CCC[N@@H+]1CC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC000590573945 347474296 /nfs/dbraw/zinc/47/42/96/347474296.db2.gz KOWQPHQVCBFLTR-NSHDSACASA-N 1 0 245.330 0.914 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617002832 347574578 /nfs/dbraw/zinc/57/45/78/347574578.db2.gz OQIRWNPYGVBTKS-WDEREUQCSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C(C)CN(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000364882334 347579849 /nfs/dbraw/zinc/57/98/49/347579849.db2.gz PLNAKEGHSFPQST-LBPRGKRZSA-N 1 0 237.347 0.411 20 30 BCEDRO N#CCCCCNc1ncnc2c1OCCN2 ZINC000591145011 347620811 /nfs/dbraw/zinc/62/08/11/347620811.db2.gz NHPVMYQUVSMCND-UHFFFAOYSA-N 1 0 233.275 0.499 20 30 BCEDRO C[C@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1CC1 ZINC000591240789 347632976 /nfs/dbraw/zinc/63/29/76/347632976.db2.gz ACFQMFKHQIHWOL-DGCLKSJQSA-N 1 0 239.363 0.828 20 30 BCEDRO CC(C)CNC(=[NH2+])N[C@@H]1CCn2ccnc2C1 ZINC000262492924 535064102 /nfs/dbraw/zinc/06/41/02/535064102.db2.gz YFGZJFJGHQDFOF-SNVBAGLBSA-N 1 0 235.335 0.758 20 30 BCEDRO CC(C)[C@@H]([NH3+])CNC(=O)N1CC[C@](F)(C#N)C1 ZINC000591359857 347645170 /nfs/dbraw/zinc/64/51/70/347645170.db2.gz FPLNXFLKSHOBGD-ONGXEEELSA-N 1 0 242.298 0.617 20 30 BCEDRO C[C@]1(C#N)CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000591359497 347645249 /nfs/dbraw/zinc/64/52/49/347645249.db2.gz AEBKGABUEXTZLX-CMPLNLGQSA-N 1 0 236.319 0.684 20 30 BCEDRO CC[NH2+][C@H](C)CNC(=O)N1CC[C@](F)(C#N)C1 ZINC000591361133 347645758 /nfs/dbraw/zinc/64/57/58/347645758.db2.gz FTQDTKZXUOQQLA-KOLCDFICSA-N 1 0 242.298 0.632 20 30 BCEDRO CS[C@H](C)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591757179 347691583 /nfs/dbraw/zinc/69/15/83/347691583.db2.gz PEGUVTBEYICMHS-MNOVXSKESA-N 1 0 245.392 0.534 20 30 BCEDRO CCOCC[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759713 347692492 /nfs/dbraw/zinc/69/24/92/347692492.db2.gz UMLVPVGLFJPNKN-SNVBAGLBSA-N 1 0 214.309 0.913 20 30 BCEDRO CCOC(=O)CC[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759616 347692688 /nfs/dbraw/zinc/69/26/88/347692688.db2.gz PZQNTHVBSAONQS-JTQLQIEISA-N 1 0 242.319 0.830 20 30 BCEDRO CCOCC[C@H](O)C[NH2+]C[C@H](C)C#N ZINC000591735056 347693985 /nfs/dbraw/zinc/69/39/85/347693985.db2.gz YHJUYJGUMGHOON-ZJUUUORDSA-N 1 0 200.282 0.523 20 30 BCEDRO CO[C@H](C[NH+]1CCN(CCC#N)CC1)C1CC1 ZINC000591845739 347706402 /nfs/dbraw/zinc/70/64/02/347706402.db2.gz SNQUHMRYACOKAV-CYBMUJFWSA-N 1 0 237.347 0.943 20 30 BCEDRO CC(C)[C@H](C#N)N1CC[NH+](CC[C@H](C)O)CC1 ZINC000591845738 347706497 /nfs/dbraw/zinc/70/64/97/347706497.db2.gz SNOMPFRBYOVCHI-STQMWFEESA-N 1 0 239.363 0.923 20 30 BCEDRO C[NH+](C)CCCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000591864084 347707343 /nfs/dbraw/zinc/70/73/43/347707343.db2.gz PLNYNDBIIILTIO-WDEREUQCSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@H](Nc1cncc(C#N)n1)[C@H]1CN(C)CCO1 ZINC000591460870 347665602 /nfs/dbraw/zinc/66/56/02/347665602.db2.gz CYDURGFEEVQOHH-GXSJLCMTSA-N 1 0 247.302 0.479 20 30 BCEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCC(C)(C)C#N ZINC000592214341 347762218 /nfs/dbraw/zinc/76/22/18/347762218.db2.gz JHRSDHZXDITAPK-IUCAKERBSA-N 1 0 226.324 0.961 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)C[NH2+]CC1CC1 ZINC000592256266 347764753 /nfs/dbraw/zinc/76/47/53/347764753.db2.gz AVVQAEZJKBPOHA-UHFFFAOYSA-N 1 0 219.248 0.219 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)CO1 ZINC000592363310 347774366 /nfs/dbraw/zinc/77/43/66/347774366.db2.gz PWQOPSRLJWMTGT-PWSUYJOCSA-N 1 0 223.320 0.741 20 30 BCEDRO N#CCCNC[C@@H]1CCCC[N@H+]1CCO ZINC000592431592 347778200 /nfs/dbraw/zinc/77/82/00/347778200.db2.gz LRDZTRXTTDKMPO-NSHDSACASA-N 1 0 211.309 0.336 20 30 BCEDRO CC(C)NC(=O)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592147517 347740987 /nfs/dbraw/zinc/74/09/87/347740987.db2.gz PKBUCYYDUKXLLQ-GFCCVEGCSA-N 1 0 239.319 0.252 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CCCn2ccnc2)C1 ZINC000592150466 347741493 /nfs/dbraw/zinc/74/14/93/347741493.db2.gz CZAYINASXJIULT-GFCCVEGCSA-N 1 0 234.303 0.624 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CCCn2ccnc2)C1 ZINC000592150467 347741570 /nfs/dbraw/zinc/74/15/70/347741570.db2.gz CZAYINASXJIULT-LBPRGKRZSA-N 1 0 234.303 0.624 20 30 BCEDRO Cc1nn(C)c(C)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150532 347741783 /nfs/dbraw/zinc/74/17/83/347741783.db2.gz GCPBURQMMBQDOT-ZDUSSCGKSA-N 1 0 248.330 0.887 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150729 347741793 /nfs/dbraw/zinc/74/17/93/347741793.db2.gz IBPAABVSFFYUBY-NEPJUHHUSA-N 1 0 224.304 0.664 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CCn2cccn2)C1 ZINC000592150289 347742136 /nfs/dbraw/zinc/74/21/36/347742136.db2.gz DJXYOHXHVSBYOK-LLVKDONJSA-N 1 0 220.276 0.234 20 30 BCEDRO CC(C)(O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151124 347742671 /nfs/dbraw/zinc/74/26/71/347742671.db2.gz MEMPKLRMBYHYSH-NSHDSACASA-N 1 0 212.293 0.498 20 30 BCEDRO N#CC[C@@]1(O)CC[N@@H+](CCCCCO)C1 ZINC000592151103 347742709 /nfs/dbraw/zinc/74/27/09/347742709.db2.gz LYOLJPIUBIAISW-LLVKDONJSA-N 1 0 212.293 0.499 20 30 BCEDRO CSC[C@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592155213 347745537 /nfs/dbraw/zinc/74/55/37/347745537.db2.gz YSTBUWYSKZHRKS-ZJUUUORDSA-N 1 0 230.333 0.061 20 30 BCEDRO Cc1nc(C#N)c(C#N)n1C[C@H]1CC[NH2+]C1 ZINC000592164812 347746387 /nfs/dbraw/zinc/74/63/87/347746387.db2.gz BQBCIUXHFDAABH-VIFPVBQESA-N 1 0 215.260 0.544 20 30 BCEDRO C[NH2+]CCCn1cc(C)cc(C#N)c1=O ZINC000592165683 347746748 /nfs/dbraw/zinc/74/67/48/347746748.db2.gz DUFFKLAOMSBGBX-UHFFFAOYSA-N 1 0 205.261 0.638 20 30 BCEDRO C=CCCC[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592193485 347749178 /nfs/dbraw/zinc/74/91/78/347749178.db2.gz ANYVGSBIEFTMBD-GHMZBOCLSA-N 1 0 227.304 0.808 20 30 BCEDRO COC(=O)[C@@H]1C[C@@H](O)C[N@@H+]([C@@H](C)CCC#N)C1 ZINC000592203931 347755698 /nfs/dbraw/zinc/75/56/98/347755698.db2.gz HZCBEZBXVDOKNJ-HBNTYKKESA-N 1 0 240.303 0.534 20 30 BCEDRO N#Cc1cnn2cc(C[NH2+][C@H]3CCOC3)cnc12 ZINC000592503572 347797478 /nfs/dbraw/zinc/79/74/78/347797478.db2.gz FWZLWDRKBRZDGF-NSHDSACASA-N 1 0 243.270 0.479 20 30 BCEDRO C[C@H](C[NH3+])C(=O)NCc1ccc(CC#N)cc1 ZINC000592568309 347798250 /nfs/dbraw/zinc/79/82/50/347798250.db2.gz GHFXPGOHIZUJSS-SNVBAGLBSA-N 1 0 231.299 0.964 20 30 BCEDRO N#CCc1ccc(CNC(=O)[C@H]2C[C@H]2[NH3+])cc1 ZINC000592568176 347798340 /nfs/dbraw/zinc/79/83/40/347798340.db2.gz APMBPEFGYYSUDZ-NWDGAFQWSA-N 1 0 229.283 0.716 20 30 BCEDRO C[C@H](CC#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592755708 347814803 /nfs/dbraw/zinc/81/48/03/347814803.db2.gz XYBAVMPOASDIEB-OPRDCNLKSA-N 1 0 209.293 0.745 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CC[C@](O)(CC#N)C1 ZINC000592842427 347821320 /nfs/dbraw/zinc/82/13/20/347821320.db2.gz ZYQXLIADPOYXBL-GFCCVEGCSA-N 1 0 239.319 0.205 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@H]([NH3+])C2)CCCC1 ZINC000577289472 365918596 /nfs/dbraw/zinc/91/85/96/365918596.db2.gz YGRMLROHGUBCIY-SECBINFHSA-N 1 0 207.277 0.630 20 30 BCEDRO CCCN(C(=O)CC#N)[C@H]1CC[N@H+](C)C1 ZINC000592828703 347827342 /nfs/dbraw/zinc/82/73/42/347827342.db2.gz IFIIQAIKBJRLGD-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO N#Cc1cnccc1CN1CCO[C@@H](C[NH3+])C1 ZINC000592480875 347786593 /nfs/dbraw/zinc/78/65/93/347786593.db2.gz QRKKVKOOZNLTND-LBPRGKRZSA-N 1 0 232.287 0.113 20 30 BCEDRO CN(Cc1ccncc1C#N)C1C[NH2+]C1 ZINC000592490422 347786886 /nfs/dbraw/zinc/78/68/86/347786886.db2.gz LFLUQHNUBXNVEI-UHFFFAOYSA-N 1 0 202.261 0.357 20 30 BCEDRO C[C@@]1(F)C[NH2+]CCN(c2cncc(C#N)n2)C1 ZINC000592468845 347789390 /nfs/dbraw/zinc/78/93/90/347789390.db2.gz UUAAQLRYNMSUNI-LLVKDONJSA-N 1 0 235.266 0.486 20 30 BCEDRO CN(Cc1ccncc1C#N)[C@H]1CC[NH2+]C1 ZINC000592472595 347790882 /nfs/dbraw/zinc/79/08/82/347790882.db2.gz BZJQTSJXUICORM-LBPRGKRZSA-N 1 0 216.288 0.747 20 30 BCEDRO CC[C@@H](C#N)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000593457701 347898994 /nfs/dbraw/zinc/89/89/94/347898994.db2.gz IEFDUJZNWZDGHJ-QWRGUYRKSA-N 1 0 239.319 0.373 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@H](C)CS(C)(=O)=O ZINC000577385670 365941641 /nfs/dbraw/zinc/94/16/41/365941641.db2.gz MKBVVMMIHPCXHV-UWVGGRQHSA-N 1 0 232.349 0.949 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H](CO)CCF)C1 ZINC000593688037 347927853 /nfs/dbraw/zinc/92/78/53/347927853.db2.gz VVYZKHWGAOWKDF-OPRDCNLKSA-N 1 0 200.257 0.989 20 30 BCEDRO CC[C@H](C#N)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000593735798 347938466 /nfs/dbraw/zinc/93/84/66/347938466.db2.gz XYYRPFOOKLOANO-OUAUKWLOSA-N 1 0 221.304 0.699 20 30 BCEDRO C[NH2+]CCS[C@H](C)C(=O)N(C)CCC#N ZINC000577369869 365936242 /nfs/dbraw/zinc/93/62/42/365936242.db2.gz NMDRDRROOWCDNN-SECBINFHSA-N 1 0 229.349 0.700 20 30 BCEDRO N#Cc1csc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000593670855 347924903 /nfs/dbraw/zinc/92/49/03/347924903.db2.gz WXGVTMBDFLJNQL-DTORHVGOSA-N 1 0 235.312 0.973 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000593669668 347925140 /nfs/dbraw/zinc/92/51/40/347925140.db2.gz AKZGILNGVXKTCI-XWLWVQCSSA-N 1 0 221.304 0.922 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)C[C@@H]1CCC[C@H]1[NH3+] ZINC000593922143 347963104 /nfs/dbraw/zinc/96/31/04/347963104.db2.gz AVJQTBLYGHKMLW-IONNQARKSA-N 1 0 233.275 0.737 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)COc1ccc(C#N)cc1 ZINC000593904875 347968077 /nfs/dbraw/zinc/96/80/77/347968077.db2.gz FWMYUUZVEYCWEC-SECBINFHSA-N 1 0 233.271 0.400 20 30 BCEDRO CN(CC[NH3+])C(=O)c1cccc(CC#N)c1 ZINC000593908716 347969118 /nfs/dbraw/zinc/96/91/18/347969118.db2.gz XDZLYXSXKBZTEW-UHFFFAOYSA-N 1 0 217.272 0.783 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCCN1C(=O)CNC1=O ZINC000594009399 347984976 /nfs/dbraw/zinc/98/49/76/347984976.db2.gz IVDOSSUWOSWWRX-SECBINFHSA-N 1 0 238.291 0.210 20 30 BCEDRO C#CCN(C(=O)N[C@H](C[NH3+])C1CC1)C1CC1 ZINC000491786499 490118618 /nfs/dbraw/zinc/11/86/18/490118618.db2.gz UWVFLMRAUIBDOI-LLVKDONJSA-N 1 0 221.304 0.531 20 30 BCEDRO C[C@@H]1CC[N@H+](C)CCN1c1ccnc(C#N)n1 ZINC000594555932 348069627 /nfs/dbraw/zinc/06/96/27/348069627.db2.gz INYXSESPHLVLQQ-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO N#CCCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594525377 348069692 /nfs/dbraw/zinc/06/96/92/348069692.db2.gz QIWNPISKGIEDFD-LURJTMIESA-N 1 0 238.213 0.479 20 30 BCEDRO N#CCN1CCC([NH2+][C@@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000594583072 348077082 /nfs/dbraw/zinc/07/70/82/348077082.db2.gz UZLWGAGPTONUDB-WCQYABFASA-N 1 0 236.363 0.834 20 30 BCEDRO C[NH+](C)C1CN(C(=O)CCCCC#N)C1 ZINC000594329915 348033684 /nfs/dbraw/zinc/03/36/84/348033684.db2.gz ACCRESKTYQNYJU-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCCC#N)CCO1 ZINC000594430215 348046071 /nfs/dbraw/zinc/04/60/71/348046071.db2.gz XBNCRNDGNDPPKW-GHMZBOCLSA-N 1 0 239.319 0.645 20 30 BCEDRO CCC[C@@H](O)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594434729 348046594 /nfs/dbraw/zinc/04/65/94/348046594.db2.gz SEPWYCQJGOIVPQ-MNOVXSKESA-N 1 0 241.335 0.675 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594403258 348048098 /nfs/dbraw/zinc/04/80/98/348048098.db2.gz OMXXOLOTCWGROF-LPEHRKFASA-N 1 0 209.293 0.602 20 30 BCEDRO CN(C(=O)CCCCC#N)[C@H]1CC[NH2+]C1 ZINC000594424350 348051075 /nfs/dbraw/zinc/05/10/75/348051075.db2.gz BHOHOTUEUDYYTI-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)NC[C@H]1CCCO1 ZINC000594426139 348052128 /nfs/dbraw/zinc/05/21/28/348052128.db2.gz NNRWLUXXDDJSHH-MNOVXSKESA-N 1 0 239.319 0.693 20 30 BCEDRO CO[C@H](C)[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594456129 348058985 /nfs/dbraw/zinc/05/89/85/348058985.db2.gz JGVYNVKXGLDQEH-HBNTYKKESA-N 1 0 241.335 0.937 20 30 BCEDRO N#Cc1cncc(N2CC3CC2(C[NH3+])C3)n1 ZINC000594699497 348101770 /nfs/dbraw/zinc/10/17/70/348101770.db2.gz WSDFGTNGIKINAH-UHFFFAOYSA-N 1 0 215.260 0.276 20 30 BCEDRO CSC[C@@H](O)C[NH+]1CC(CC#N)C1 ZINC000594715715 348105470 /nfs/dbraw/zinc/10/54/70/348105470.db2.gz ANNNDYKNPNIEID-VIFPVBQESA-N 1 0 200.307 0.556 20 30 BCEDRO CCOCC[C@@H](O)C[NH+]1CC(CC#N)C1 ZINC000594716173 348106308 /nfs/dbraw/zinc/10/63/08/348106308.db2.gz LACUMVRFHSGHGA-LLVKDONJSA-N 1 0 212.293 0.619 20 30 BCEDRO N#Cc1cccc(-n2cc(COCC[NH3+])nn2)c1 ZINC000594651124 348090009 /nfs/dbraw/zinc/09/00/09/348090009.db2.gz GALBFWWBVIPTEZ-UHFFFAOYSA-N 1 0 243.270 0.614 20 30 BCEDRO N#CC1(Cn2cc([C@H]([NH3+])CO)nn2)CCCCC1 ZINC000594658392 348093276 /nfs/dbraw/zinc/09/32/76/348093276.db2.gz RPJHNFIVMBSWMT-SNVBAGLBSA-N 1 0 249.318 0.744 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594941979 348143896 /nfs/dbraw/zinc/14/38/96/348143896.db2.gz FBQAGTBSNSWCHY-OPRDCNLKSA-N 1 0 240.303 0.076 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594994993 348167745 /nfs/dbraw/zinc/16/77/45/348167745.db2.gz JQMNYHSIKTYQMV-DOLQZWNJSA-N 1 0 213.277 0.321 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)CSCCF ZINC000595027816 348173400 /nfs/dbraw/zinc/17/34/00/348173400.db2.gz QKFDXYCLDMGHJH-VIFPVBQESA-N 1 0 234.340 0.969 20 30 BCEDRO N#Cc1ccc(CC[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000595338028 348220674 /nfs/dbraw/zinc/22/06/74/348220674.db2.gz OTWAEUKIETUHDN-BETUJISGSA-N 1 0 232.283 0.138 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]CCc1ccc(C#N)cc1 ZINC000595058426 348183960 /nfs/dbraw/zinc/18/39/60/348183960.db2.gz AHZSPJBCEVCTDY-SNVBAGLBSA-N 1 0 231.299 0.954 20 30 BCEDRO C=CCCSCCNC(=O)C[NH2+]C ZINC000595255585 348204007 /nfs/dbraw/zinc/20/40/07/348204007.db2.gz FWEQWGUKLROPPJ-UHFFFAOYSA-N 1 0 202.323 0.631 20 30 BCEDRO C[C@@H]([NH3+])C(=O)NCC1(C#N)CCCCC1 ZINC000595257875 348204639 /nfs/dbraw/zinc/20/46/39/348204639.db2.gz APGFRWRGXYHPIR-SECBINFHSA-N 1 0 209.293 0.924 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)NCCc1ccoc1 ZINC000595256602 348204906 /nfs/dbraw/zinc/20/49/06/348204906.db2.gz OYPXLLVIYGBFDY-LLVKDONJSA-N 1 0 235.287 0.959 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595264938 348207637 /nfs/dbraw/zinc/20/76/37/348207637.db2.gz HKOZONJQLWECDJ-KOLCDFICSA-N 1 0 224.308 0.526 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000595266740 348209109 /nfs/dbraw/zinc/20/91/09/348209109.db2.gz DUPHTUULJISOGH-VWYCJHECSA-N 1 0 238.335 0.976 20 30 BCEDRO CC[C@H]([NH3+])CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595272242 348209769 /nfs/dbraw/zinc/20/97/69/348209769.db2.gz ADPGFYMWEKUNPI-GXSJLCMTSA-N 1 0 224.308 0.669 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000595268094 348209885 /nfs/dbraw/zinc/20/98/85/348209885.db2.gz QLIATYNMLZMBCI-GFCCVEGCSA-N 1 0 236.319 0.684 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000595267453 348209907 /nfs/dbraw/zinc/20/99/07/348209907.db2.gz LGHIYWLDWCURPT-MWLCHTKSSA-N 1 0 222.292 0.293 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000595268135 348209919 /nfs/dbraw/zinc/20/99/19/348209919.db2.gz QYBMPKVUOYYNOH-CMPLNLGQSA-N 1 0 236.319 0.669 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NC/C=C/C[NH3+])C1 ZINC000595273240 348210379 /nfs/dbraw/zinc/21/03/79/348210379.db2.gz JLQLEZIXGPTCII-KXMPLOMGSA-N 1 0 222.292 0.446 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000595273083 348210601 /nfs/dbraw/zinc/21/06/01/348210601.db2.gz IJRNUKVOLUZHJM-LPEHRKFASA-N 1 0 224.308 0.586 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595273682 348210771 /nfs/dbraw/zinc/21/07/71/348210771.db2.gz PODCYFORHLHQND-BMQDGWLCSA-N 1 0 236.319 0.539 20 30 BCEDRO C#C[C@H](C)N(C)C(=S)NCC[NH+](C)C ZINC000491622608 362855496 /nfs/dbraw/zinc/85/54/96/362855496.db2.gz PJNRTKMGCKCBOR-VIFPVBQESA-N 1 0 213.350 0.376 20 30 BCEDRO CC#CCN1CCCN(CCC)C(=O)C1 ZINC000189409226 187391715 /nfs/dbraw/zinc/39/17/15/187391715.db2.gz CWYPLBUUCNADAQ-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO N#CCCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000595392427 348237537 /nfs/dbraw/zinc/23/75/37/348237537.db2.gz SGNNYGUXADTMBJ-VXGBXAGGSA-N 1 0 223.320 0.431 20 30 BCEDRO CO[C@@H]1C[N@H+](CCc2ccc(C#N)cc2)C[C@H]1O ZINC000595520621 348270142 /nfs/dbraw/zinc/27/01/42/348270142.db2.gz NVSGSVUOGGEILH-ZIAGYGMSSA-N 1 0 246.310 0.792 20 30 BCEDRO N#CCNC(=O)C[N@H+](C1CC1)C1(CO)CCC1 ZINC000595534176 348275621 /nfs/dbraw/zinc/27/56/21/348275621.db2.gz QISJQFOQVCALHB-UHFFFAOYSA-N 1 0 237.303 0.006 20 30 BCEDRO CC[N@@H+]1CCCN(CC(=O)NCC#N)[C@@H](C)C1 ZINC000595535522 348275972 /nfs/dbraw/zinc/27/59/72/348275972.db2.gz GWQNPXNBPZSWGX-NSHDSACASA-N 1 0 238.335 0.042 20 30 BCEDRO N#Cc1csc(C[NH2+]CC2(CO)COC2)c1 ZINC000332047167 187392610 /nfs/dbraw/zinc/39/26/10/187392610.db2.gz YXELUIVWOINAIC-UHFFFAOYSA-N 1 0 238.312 0.718 20 30 BCEDRO N#CCCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000595607925 348286806 /nfs/dbraw/zinc/28/68/06/348286806.db2.gz LSMCSBGONWCEDU-LLVKDONJSA-N 1 0 219.292 0.904 20 30 BCEDRO C=CC[N@@H+](CCC(=O)NC(N)=O)[C@@H](C)COC ZINC000595644956 348295586 /nfs/dbraw/zinc/29/55/86/348295586.db2.gz CWYLSSLYUCZYIC-VIFPVBQESA-N 1 0 243.307 0.094 20 30 BCEDRO C[N@H+](CCOCCC#N)C[C@H]1COCCO1 ZINC000595734778 348318377 /nfs/dbraw/zinc/31/83/77/348318377.db2.gz BBHLDQUGTRAABG-NSHDSACASA-N 1 0 228.292 0.264 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN([C@H](C)C#N)C1CC1 ZINC000595710504 348322713 /nfs/dbraw/zinc/32/27/13/348322713.db2.gz RZLMEALPDMMTPG-ZYHUDNBSSA-N 1 0 225.336 0.675 20 30 BCEDRO CC(C)(C#N)CCC[N@@H+]1CCC(CO)(CO)C1 ZINC000595798279 348347037 /nfs/dbraw/zinc/34/70/37/348347037.db2.gz AKEOZUORIKTKJE-UHFFFAOYSA-N 1 0 240.347 0.993 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000270657517 166297698 /nfs/dbraw/zinc/29/76/98/166297698.db2.gz JSIOVOASFZZEPA-VHSXEESVSA-N 1 0 227.308 0.056 20 30 BCEDRO C[N@H+](C[C@@H](O)CN1CC[C@@](C)(C#N)C1)C1CC1 ZINC000595841325 348376403 /nfs/dbraw/zinc/37/64/03/348376403.db2.gz KGEAKGAUSACMOT-OLZOCXBDSA-N 1 0 237.347 0.677 20 30 BCEDRO CCN(C[C@H](O)C[N@H+](C)C1CC1)[C@@H](C)C#N ZINC000595819462 348359690 /nfs/dbraw/zinc/35/96/90/348359690.db2.gz AYWQMNBNNUTUSY-CMPLNLGQSA-N 1 0 225.336 0.675 20 30 BCEDRO CCN(C[C@@H](O)C[N@H+](C)CC)[C@@H](C)C#N ZINC000595820716 348362401 /nfs/dbraw/zinc/36/24/01/348362401.db2.gz PBRLYQVSPWDSBW-QWRGUYRKSA-N 1 0 213.325 0.533 20 30 BCEDRO N#Cc1ccc(CCNC(=O)COCC[NH3+])cc1 ZINC000595936537 348408674 /nfs/dbraw/zinc/40/86/74/348408674.db2.gz BSSUGUBDZZHGCA-UHFFFAOYSA-N 1 0 247.298 0.192 20 30 BCEDRO CC(C)([NH3+])C(=O)NCCc1ccc(C#N)cc1 ZINC000595937029 348408721 /nfs/dbraw/zinc/40/87/21/348408721.db2.gz COVLZKSPKKQHHW-UHFFFAOYSA-N 1 0 231.299 0.954 20 30 BCEDRO C[C@H]([NH3+])CC(=O)NCCc1ccc(C#N)cc1 ZINC000595938131 348409062 /nfs/dbraw/zinc/40/90/62/348409062.db2.gz MEKWPCKRJGNMPB-JTQLQIEISA-N 1 0 231.299 0.954 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)c2c[nH+]ccc2N)C1 ZINC000595980159 348414910 /nfs/dbraw/zinc/41/49/10/348414910.db2.gz GOEMCROHGQVXOV-LBPRGKRZSA-N 1 0 230.271 0.870 20 30 BCEDRO CO[C@@H](C[NH3+])CC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595980383 348414932 /nfs/dbraw/zinc/41/49/32/348414932.db2.gz HDXKZZLZGRPBHU-KOLCDFICSA-N 1 0 225.292 0.112 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])C1 ZINC000595980411 348415060 /nfs/dbraw/zinc/41/50/60/348415060.db2.gz HVRROPLEYFIPOW-CKYFFXLPSA-N 1 0 237.303 0.112 20 30 BCEDRO CC(C)(C[NH3+])C(=O)N1CC[C@](C)(C#N)C1 ZINC000595980754 348415856 /nfs/dbraw/zinc/41/58/56/348415856.db2.gz JYNVOOWDEWEGRW-LLVKDONJSA-N 1 0 209.293 0.733 20 30 BCEDRO CC[C@@H]([NH2+]C)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595981095 348416051 /nfs/dbraw/zinc/41/60/51/348416051.db2.gz MMOKNYHTCWKBDB-MWLCHTKSSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2CCC[C@@H]2[NH3+])C1 ZINC000595981109 348416085 /nfs/dbraw/zinc/41/60/85/348416085.db2.gz MOQADVBRYLNONL-JFGNBEQYSA-N 1 0 221.304 0.876 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2C[C@]23CC[NH2+]C3)C1 ZINC000595982501 348417434 /nfs/dbraw/zinc/41/74/34/348417434.db2.gz WKXJDOCYCGXQDL-UHTWSYAYSA-N 1 0 233.315 0.748 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000595982468 348417668 /nfs/dbraw/zinc/41/76/68/348417668.db2.gz VPDGWYBLHATEEV-ZYHUDNBSSA-N 1 0 221.304 0.748 20 30 BCEDRO CCOC(=O)CC1([NH2+]CCC#N)CCOCC1 ZINC000595889376 348389967 /nfs/dbraw/zinc/38/99/67/348389967.db2.gz ZDZBDMDUVFYBJG-UHFFFAOYSA-N 1 0 240.303 0.992 20 30 BCEDRO N#Cc1cncnc1N1CC2CC1(C[NH3+])C2 ZINC000596014050 348430092 /nfs/dbraw/zinc/43/00/92/348430092.db2.gz LJIBAZQPNGDINY-UHFFFAOYSA-N 1 0 215.260 0.276 20 30 BCEDRO N#Cc1cncnc1N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000596015882 348430396 /nfs/dbraw/zinc/43/03/96/348430396.db2.gz INIYIEDITCGUHA-PHIMTYICSA-N 1 0 229.287 0.679 20 30 BCEDRO N#Cc1ccc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)nc1N ZINC000596015713 348430761 /nfs/dbraw/zinc/43/07/61/348430761.db2.gz HFANOHDAIYQSFZ-PHIMTYICSA-N 1 0 243.314 0.866 20 30 BCEDRO N#Cc1cncnc1N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000596016966 348431160 /nfs/dbraw/zinc/43/11/60/348431160.db2.gz WYRHXBXLCBABLM-ONGXEEELSA-N 1 0 229.287 0.536 20 30 BCEDRO C[NH+](C)C[C@H](CO)Nc1cccc(C#N)n1 ZINC000596242386 348485324 /nfs/dbraw/zinc/48/53/24/348485324.db2.gz GBCCTYSFQBVARH-SNVBAGLBSA-N 1 0 220.276 0.288 20 30 BCEDRO Cc1nsc(N[C@@H](CO)C[NH+](C)C)c1C#N ZINC000596244120 348485790 /nfs/dbraw/zinc/48/57/90/348485790.db2.gz PKLYMNDOQVOYCN-MRVPVSSYSA-N 1 0 240.332 0.658 20 30 BCEDRO C[C@H](CNc1c(C#N)cnn1C)[NH+](C)C ZINC000596089788 348444218 /nfs/dbraw/zinc/44/42/18/348444218.db2.gz JVTRLSJRACLRLY-MRVPVSSYSA-N 1 0 207.281 0.654 20 30 BCEDRO CC[N@H+](C)CCNC(=O)NCC1(C#N)CCC1 ZINC000419447778 192136160 /nfs/dbraw/zinc/13/61/60/192136160.db2.gz PVUYLTIUVVEYHJ-UHFFFAOYSA-N 1 0 238.335 0.931 20 30 BCEDRO CN(CC1C[NH+](C)C1)c1nccnc1C#N ZINC000596455052 348542593 /nfs/dbraw/zinc/54/25/93/348542593.db2.gz ZJZNKNUDQWICRG-UHFFFAOYSA-N 1 0 217.276 0.346 20 30 BCEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)NCCC[NH3+] ZINC000419828270 192147024 /nfs/dbraw/zinc/14/70/24/192147024.db2.gz CHOWVRHILXZSTB-SNVBAGLBSA-N 1 0 239.319 0.019 20 30 BCEDRO C=CCCCCNC(=O)C(=O)NCC[NH2+]CC ZINC000419892115 192148146 /nfs/dbraw/zinc/14/81/46/192148146.db2.gz NUSIHRCGESEQEL-UHFFFAOYSA-N 1 0 241.335 0.185 20 30 BCEDRO C=CCN(C)C(=O)C(=O)N[C@@H](C[NH3+])CC(C)C ZINC000419947799 192151171 /nfs/dbraw/zinc/15/11/71/192151171.db2.gz DJKPCEIOGSQXDX-SNVBAGLBSA-N 1 0 241.335 0.120 20 30 BCEDRO C=CCN(C)C(=O)C(=O)N[C@H](C[NH3+])CC(C)C ZINC000419947798 192151600 /nfs/dbraw/zinc/15/16/00/192151600.db2.gz DJKPCEIOGSQXDX-JTQLQIEISA-N 1 0 241.335 0.120 20 30 BCEDRO C=CCCCCNC(=O)C(=O)NC[C@H](C)C[NH3+] ZINC000419956083 192152337 /nfs/dbraw/zinc/15/23/37/192152337.db2.gz NYLNRASTZXONQB-SNVBAGLBSA-N 1 0 241.335 0.170 20 30 BCEDRO C[C@@H](CC#N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000597042977 348650048 /nfs/dbraw/zinc/65/00/48/348650048.db2.gz IKYUDOSZQZFRDJ-JTQLQIEISA-N 1 0 249.318 0.933 20 30 BCEDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@@H](C)C#N ZINC000597084380 348655292 /nfs/dbraw/zinc/65/52/92/348655292.db2.gz YZEUUKFVWKPSGB-SGIHWFKDSA-N 1 0 210.277 0.933 20 30 BCEDRO CS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000054825921 348665247 /nfs/dbraw/zinc/66/52/47/348665247.db2.gz MVNPBILSMASSJT-NXEZZACHSA-N 1 0 230.333 0.703 20 30 BCEDRO C[C@H](CC#N)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000597162380 348667141 /nfs/dbraw/zinc/66/71/41/348667141.db2.gz IRMFUORNVWJJPI-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H](CC#N)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000597162377 348667347 /nfs/dbraw/zinc/66/73/47/348667347.db2.gz IRMFUORNVWJJPI-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C(C)CN(C)C(=O)C(=O)NC[C@@H](C)[NH2+]CC ZINC000420152115 192163584 /nfs/dbraw/zinc/16/35/84/192163584.db2.gz DIGSDDGVUQVALZ-SNVBAGLBSA-N 1 0 241.335 0.135 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)c2ncc[nH]2)CC1 ZINC000597167750 348667853 /nfs/dbraw/zinc/66/78/53/348667853.db2.gz YNHQPEHGFJFKKX-UHFFFAOYSA-N 1 0 233.275 0.127 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H](CO)[C@H]1CCCO1 ZINC000336661927 166304050 /nfs/dbraw/zinc/30/40/50/166304050.db2.gz CKYCTYPDXFDKPK-QJPTWQEYSA-N 1 0 229.320 0.443 20 30 BCEDRO C[C@H](CC#N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000596855287 348627999 /nfs/dbraw/zinc/62/79/99/348627999.db2.gz TZAGDJWIDXOEJI-MWLCHTKSSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@@H](CC#N)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000597224614 348694744 /nfs/dbraw/zinc/69/47/44/348694744.db2.gz MMGGGNHFXDWAQC-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H](CC#N)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000597224616 348695578 /nfs/dbraw/zinc/69/55/78/348695578.db2.gz MMGGGNHFXDWAQC-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000597236066 348701388 /nfs/dbraw/zinc/70/13/88/348701388.db2.gz NRLOBYHUCNCXCP-QWRGUYRKSA-N 1 0 223.320 0.946 20 30 BCEDRO N#CC1(CNC(=O)N[C@@H]2CC23CC[NH2+]CC3)CC1 ZINC000597439345 348737493 /nfs/dbraw/zinc/73/74/93/348737493.db2.gz HPPZIDJDPHNEKP-SNVBAGLBSA-N 1 0 248.330 0.731 20 30 BCEDRO C[C@H](CNC(=O)[C@@H](C)CC#N)C[NH+](C)C ZINC000597683766 348779324 /nfs/dbraw/zinc/77/93/24/348779324.db2.gz HHMHIASZUOOHLV-ZJUUUORDSA-N 1 0 211.309 0.850 20 30 BCEDRO Cc1[nH]c(C#N)cc1C(=O)N1CC(C[NH+](C)C)C1 ZINC000597706172 348786802 /nfs/dbraw/zinc/78/68/02/348786802.db2.gz PYMAKRAWFXJYGL-UHFFFAOYSA-N 1 0 246.314 0.828 20 30 BCEDRO C=C1CC[NH+](C[C@](C)(O)C(=O)OCC)CC1 ZINC000274594221 187401289 /nfs/dbraw/zinc/40/12/89/187401289.db2.gz KXABFTLGYDKDHX-LBPRGKRZSA-N 1 0 227.304 0.953 20 30 BCEDRO C[C@@H](CC#N)C(=O)NCCOCC[NH+](C)C ZINC000597475990 348744940 /nfs/dbraw/zinc/74/49/40/348744940.db2.gz DDKWFVAYDPZIQB-JTQLQIEISA-N 1 0 227.308 0.231 20 30 BCEDRO C[C@@H](CC#N)C(=O)NCC[N@@H+]1CCCOCC1 ZINC000597539857 348758434 /nfs/dbraw/zinc/75/84/34/348758434.db2.gz HNMCBPSXOXGJDO-NSHDSACASA-N 1 0 239.319 0.375 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000597568220 348760742 /nfs/dbraw/zinc/76/07/42/348760742.db2.gz OADGHCWKRIGDIE-JTQLQIEISA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000597573730 348762351 /nfs/dbraw/zinc/76/23/51/348762351.db2.gz HXZVCCLQUBHREO-CMPLNLGQSA-N 1 0 239.319 0.061 20 30 BCEDRO CC[C@@H](C(=O)N[C@@H](C#N)CO)[NH+](CC)CC ZINC000597747772 348812543 /nfs/dbraw/zinc/81/25/43/348812543.db2.gz SMVGEMFIMDVMHA-UWVGGRQHSA-N 1 0 227.308 0.107 20 30 BCEDRO CCN(C(=O)[C@H](C)C#N)[C@@H]1CC[N@H+](C)C1 ZINC000597943971 348847314 /nfs/dbraw/zinc/84/73/14/348847314.db2.gz BGOHZDRJFUMOLA-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000274839393 187401718 /nfs/dbraw/zinc/40/17/18/187401718.db2.gz UATZSOGJTMSGOS-VHSXEESVSA-N 1 0 211.309 0.648 20 30 BCEDRO C[NH+](C)CC(=O)NCCc1ccc(C#N)cc1 ZINC000597890607 348834783 /nfs/dbraw/zinc/83/47/83/348834783.db2.gz FSCFYUGGERFBPU-UHFFFAOYSA-N 1 0 231.299 0.779 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597992054 348852043 /nfs/dbraw/zinc/85/20/43/348852043.db2.gz IYRYWPPMBFWOEY-ZJUUUORDSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@H](CCNC(=O)c1ccc(C#N)n1C)[NH+](C)C ZINC000597993331 348852804 /nfs/dbraw/zinc/85/28/04/348852804.db2.gz RMIDQOOMLRFDNY-SNVBAGLBSA-N 1 0 248.330 0.967 20 30 BCEDRO CCN(C(=O)[C@@H]1CCC[N@@H+]1C)[C@H](C)C#N ZINC000598359877 348944852 /nfs/dbraw/zinc/94/48/52/348944852.db2.gz NLDZAKBIVQDSHW-ZJUUUORDSA-N 1 0 209.293 0.841 20 30 BCEDRO N#Cc1cccc(C#N)c1N1CC[C@@H]([NH3+])C1 ZINC000420122283 192168708 /nfs/dbraw/zinc/16/87/08/192168708.db2.gz ABEILUPROOJDNP-LLVKDONJSA-N 1 0 212.256 0.967 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)c1ccc(C#N)[nH]1 ZINC000598162488 348897307 /nfs/dbraw/zinc/89/73/07/348897307.db2.gz IUDOCUSOVKJHDU-UHFFFAOYSA-N 1 0 232.287 0.520 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000354633261 348919149 /nfs/dbraw/zinc/91/91/49/348919149.db2.gz FZXNWMSFLQSKIB-WZRBSPASSA-N 1 0 240.347 0.912 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1C[C@@H](F)C[C@H]1CO ZINC000598620014 349001841 /nfs/dbraw/zinc/00/18/41/349001841.db2.gz UVUSPXXNSIAOIQ-GARJFASQSA-N 1 0 244.310 0.692 20 30 BCEDRO CC[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H](C)[NH2+]1 ZINC000598532187 348990581 /nfs/dbraw/zinc/99/05/81/348990581.db2.gz UBVWJVUOGKJTMJ-LPEHRKFASA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@@H]1C[C@H](O)C[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598598652 348991836 /nfs/dbraw/zinc/99/18/36/348991836.db2.gz HNYMGSPZNUCFIX-VWYCJHECSA-N 1 0 226.320 0.742 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1O ZINC000598599495 348992563 /nfs/dbraw/zinc/99/25/63/348992563.db2.gz JJYFEWCUXZLHKX-OUAUKWLOSA-N 1 0 226.320 0.600 20 30 BCEDRO CC(C)[C@@H]1CN(C(=O)[C@H](C)CC#N)CC[NH2+]1 ZINC000598577000 348994024 /nfs/dbraw/zinc/99/40/24/348994024.db2.gz ZJLMAKFHLNMPBC-MNOVXSKESA-N 1 0 223.320 0.993 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](CCO)CC1CC1 ZINC000598587968 348996064 /nfs/dbraw/zinc/99/60/64/348996064.db2.gz YDLPSCJFKMMAJA-GFCCVEGCSA-N 1 0 240.347 0.991 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000598592172 348997295 /nfs/dbraw/zinc/99/72/95/348997295.db2.gz GSKPCFLSCCTIFQ-WDEREUQCSA-N 1 0 226.320 0.601 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCNC(=O)CC1 ZINC000598591263 348997558 /nfs/dbraw/zinc/99/75/58/348997558.db2.gz XUKLDGSVZRTJBN-SNVBAGLBSA-N 1 0 239.319 0.109 20 30 BCEDRO C[C@H](CO)[C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598611811 348999570 /nfs/dbraw/zinc/99/95/70/348999570.db2.gz JQSUBABXERXAGO-OUAUKWLOSA-N 1 0 228.336 0.894 20 30 BCEDRO C[C@@H](C(=O)N1CC[C@](C)(C#N)C1)[NH+](C)C ZINC000598409361 348965121 /nfs/dbraw/zinc/96/51/21/348965121.db2.gz QFMXQASNRJAQQT-GXSJLCMTSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC[C@H]1O ZINC000598606432 349007161 /nfs/dbraw/zinc/00/71/61/349007161.db2.gz KDKNKFRPIDZHSQ-GRYCIOLGSA-N 1 0 240.347 0.990 20 30 BCEDRO N#Cc1nccc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000308892596 349054939 /nfs/dbraw/zinc/05/49/39/349054939.db2.gz YKCKNMSGKJTHDY-MRVPVSSYSA-N 1 0 203.249 0.276 20 30 BCEDRO C[C@H]1CC[N@H+](CCOCCC#N)C[C@H]1CO ZINC000598645500 349009092 /nfs/dbraw/zinc/00/90/92/349009092.db2.gz FMSWOVHZDRPGPU-RYUDHWBXSA-N 1 0 226.320 0.867 20 30 BCEDRO CC(C)C([NH2+]CC(=O)NCC#N)C(C)C ZINC000308896160 349055554 /nfs/dbraw/zinc/05/55/54/349055554.db2.gz ZMONGFOJHJUWNH-UHFFFAOYSA-N 1 0 211.309 0.896 20 30 BCEDRO CO[C@H](C)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598706503 349023323 /nfs/dbraw/zinc/02/33/23/349023323.db2.gz SONYVXGCBDAUTJ-ZJUUUORDSA-N 1 0 214.309 0.912 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000598716557 349025846 /nfs/dbraw/zinc/02/58/46/349025846.db2.gz MWUVSVRLZNJRAN-UHFFFAOYSA-N 1 0 232.287 0.709 20 30 BCEDRO CN1CC[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1=O ZINC000598718720 349026569 /nfs/dbraw/zinc/02/65/69/349026569.db2.gz GNEZJCUGTUEKRY-NXEZZACHSA-N 1 0 239.319 0.107 20 30 BCEDRO CN1C[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598718697 349027063 /nfs/dbraw/zinc/02/70/63/349027063.db2.gz CMWGRZFHGIWILB-ZJUUUORDSA-N 1 0 239.319 0.107 20 30 BCEDRO Cn1ccnc1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598719087 349027144 /nfs/dbraw/zinc/02/71/44/349027144.db2.gz GBLGMDZKDARYID-SNVBAGLBSA-N 1 0 236.319 0.810 20 30 BCEDRO CN1C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)CC1=O ZINC000598718691 349027148 /nfs/dbraw/zinc/02/71/48/349027148.db2.gz CMWGRZFHGIWILB-NXEZZACHSA-N 1 0 239.319 0.107 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1(C)COC1 ZINC000598720116 349027296 /nfs/dbraw/zinc/02/72/96/349027296.db2.gz MKDHQMPOSMMANZ-SNVBAGLBSA-N 1 0 226.320 0.913 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC000598720221 349027730 /nfs/dbraw/zinc/02/77/30/349027730.db2.gz MDHCCEBQACXNQC-QWRGUYRKSA-N 1 0 226.320 0.913 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCOC1 ZINC000598726835 349029870 /nfs/dbraw/zinc/02/98/70/349029870.db2.gz VTDSTCWEBNXKMI-NXEZZACHSA-N 1 0 212.293 0.666 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCOC1 ZINC000598727230 349029999 /nfs/dbraw/zinc/02/99/99/349029999.db2.gz VTDSTCWEBNXKMI-UWVGGRQHSA-N 1 0 212.293 0.666 20 30 BCEDRO CC1CC(C[NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000598728576 349030437 /nfs/dbraw/zinc/03/04/37/349030437.db2.gz CUTWVCZGHNKPKT-WXRRBKDZSA-N 1 0 239.363 0.828 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@@H](O)C1CC1 ZINC000598729960 349032138 /nfs/dbraw/zinc/03/21/38/349032138.db2.gz PHMAPTPQEZRAGW-WDEREUQCSA-N 1 0 226.320 0.648 20 30 BCEDRO COCCOCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598700140 349033710 /nfs/dbraw/zinc/03/37/10/349033710.db2.gz LGYIBLBULWAMQE-NSHDSACASA-N 1 0 244.335 0.540 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000599011107 349075721 /nfs/dbraw/zinc/07/57/21/349075721.db2.gz YPHRJPLONAYMHD-CQSZACIVSA-N 1 0 245.326 0.714 20 30 BCEDRO CC(C)(CCC#N)C[NH2+]CCN1CC[C@@H](O)C1 ZINC000599010138 349075798 /nfs/dbraw/zinc/07/57/98/349075798.db2.gz QCICUBJIWQHABE-GFCCVEGCSA-N 1 0 239.363 0.973 20 30 BCEDRO N#Cc1c(N2CC[C@@H]([NH3+])C2)nc2ccccn12 ZINC000420174620 192170780 /nfs/dbraw/zinc/17/07/80/192170780.db2.gz UBFAQDYDEDYBIF-SECBINFHSA-N 1 0 227.271 0.743 20 30 BCEDRO N#Cc1ncccc1NCC[N@H+]1CC[C@@H](O)C1 ZINC000599175663 349103473 /nfs/dbraw/zinc/10/34/73/349103473.db2.gz GXYCYCGVKWGTGE-SNVBAGLBSA-N 1 0 232.287 0.432 20 30 BCEDRO C[NH+](C)CCCNc1ncncc1C#N ZINC000308918327 349067911 /nfs/dbraw/zinc/06/79/11/349067911.db2.gz YLZMPWSWSGEXTJ-UHFFFAOYSA-N 1 0 205.265 0.712 20 30 BCEDRO CC[N@H+](CCO)C[C@@H](O)CC1(C#N)CC1 ZINC000599284363 349147005 /nfs/dbraw/zinc/14/70/05/349147005.db2.gz ROAXULDCLXNPIE-JTQLQIEISA-N 1 0 212.293 0.355 20 30 BCEDRO N#Cc1cccc(NCC[N@H+]2CC[C@H](O)C2)n1 ZINC000599198934 349116661 /nfs/dbraw/zinc/11/66/61/349116661.db2.gz BMNKJPVTFZVLCJ-NSHDSACASA-N 1 0 232.287 0.432 20 30 BCEDRO CC[C@@H]1CN(c2cncc(C#N)n2)C[C@H](C)[NH2+]1 ZINC000599180624 349122477 /nfs/dbraw/zinc/12/24/77/349122477.db2.gz WICVXNLFQZAPFW-VHSXEESVSA-N 1 0 231.303 0.925 20 30 BCEDRO COC[C@@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599401049 349172632 /nfs/dbraw/zinc/17/26/32/349172632.db2.gz KCBQEPTZXPXEAY-NXEZZACHSA-N 1 0 212.293 0.666 20 30 BCEDRO CC1(C)[C@H](O)C[C@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599434282 349174292 /nfs/dbraw/zinc/17/42/92/349174292.db2.gz XCZVNHAASNLDRQ-GMTAPVOTSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@](OC)(C(=O)OC)C1 ZINC000599563039 349218771 /nfs/dbraw/zinc/21/87/71/349218771.db2.gz HTHKRCDGYRZBAH-CMPLNLGQSA-N 1 0 243.303 0.187 20 30 BCEDRO C[N@H+](CCOCCC#N)C[C@H]1C[C@@H](O)C1 ZINC000599655279 349235440 /nfs/dbraw/zinc/23/54/40/349235440.db2.gz KTODWVFVCDFMEC-PHIMTYICSA-N 1 0 212.293 0.619 20 30 BCEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC3(COC3)C2)CC1 ZINC000599475152 349195090 /nfs/dbraw/zinc/19/50/90/349195090.db2.gz ICYOPSGRSYHNSW-NSHDSACASA-N 1 0 236.315 0.763 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000308959620 349202741 /nfs/dbraw/zinc/20/27/41/349202741.db2.gz YPPYCUPTDRXDKK-UTLUCORTSA-N 1 0 207.277 0.547 20 30 BCEDRO N#Cc1nccc(NC[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000386160982 362944637 /nfs/dbraw/zinc/94/46/37/362944637.db2.gz QNRNFAQXRNRLEF-JTQLQIEISA-N 1 0 243.314 0.666 20 30 BCEDRO COCCN1CC[C@H]([NH2+]C[C@@H](C)C#N)C1 ZINC000309055255 323221153 /nfs/dbraw/zinc/22/11/53/323221153.db2.gz UBVNLSVGLROHMO-QWRGUYRKSA-N 1 0 211.309 0.456 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000383675350 349295356 /nfs/dbraw/zinc/29/53/56/349295356.db2.gz PEUMCBAHSCMWOD-ZDUSSCGKSA-N 1 0 242.363 0.624 20 30 BCEDRO N#CCc1cccc2c1CCN(CC(N)=O)C2 ZINC000599685527 349243989 /nfs/dbraw/zinc/24/39/89/349243989.db2.gz FLOHRBUEAJXCFW-UHFFFAOYSA-N 1 0 229.283 0.596 20 30 BCEDRO N#CC1(CNC(=O)N[C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000599917652 349270596 /nfs/dbraw/zinc/27/05/96/349270596.db2.gz VUMYENRNLDTMMI-SNVBAGLBSA-N 1 0 248.330 0.874 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC1(C#N)CC1 ZINC000599916921 349270642 /nfs/dbraw/zinc/27/06/42/349270642.db2.gz PRKXPZAYCFMZTH-DTWKUNHWSA-N 1 0 222.292 0.340 20 30 BCEDRO N#CCCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000599918375 349270666 /nfs/dbraw/zinc/27/06/66/349270666.db2.gz OSHZNQWDINXNDB-SNVBAGLBSA-N 1 0 236.319 0.874 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)CC#N ZINC000599923501 349271197 /nfs/dbraw/zinc/27/11/97/349271197.db2.gz AHKNKDHFZWIVMV-VHSXEESVSA-N 1 0 238.335 0.976 20 30 BCEDRO CC(C)[C@H]1C[NH2+]CCN1C(=O)NCCCC#N ZINC000599919380 349271256 /nfs/dbraw/zinc/27/12/56/349271256.db2.gz VDAHFYABRZKJOM-LLVKDONJSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000599939624 349273303 /nfs/dbraw/zinc/27/33/03/349273303.db2.gz AUBMSPAKXMXCKK-UMNHJUIQSA-N 1 0 236.319 0.682 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@H](C)[NH+](C)C)C(=O)OC ZINC000601783041 349342250 /nfs/dbraw/zinc/34/22/50/349342250.db2.gz ULKQRESVONXMFR-UWVGGRQHSA-N 1 0 242.319 0.561 20 30 BCEDRO C[C@@H]1CN(CCCC#N)CC[S@]1=O ZINC000307608084 349324069 /nfs/dbraw/zinc/32/40/69/349324069.db2.gz CLXXEHKKHKZBGT-NOZJJQNGSA-N 1 0 200.307 0.743 20 30 BCEDRO C[NH+](C)CC1(C(=O)NC2(C#N)CCC2)CC1 ZINC000602083449 349431817 /nfs/dbraw/zinc/43/18/17/349431817.db2.gz ZYRPZOJDFQMOPT-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)NC2(C#N)CCC2)C1 ZINC000602082897 349432130 /nfs/dbraw/zinc/43/21/30/349432130.db2.gz QCOZQLLLNUMGTH-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000602084568 349432864 /nfs/dbraw/zinc/43/28/64/349432864.db2.gz SWQACHGRSLHSNI-SNVBAGLBSA-N 1 0 223.320 0.946 20 30 BCEDRO CC(C)(C)[NH2+]CCN1CCN(CCC#N)CC1 ZINC000602023620 349419705 /nfs/dbraw/zinc/41/97/05/349419705.db2.gz YSWIUYPJVDTMHR-UHFFFAOYSA-N 1 0 238.379 0.906 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(=O)OC)n1C ZINC000602029777 349420504 /nfs/dbraw/zinc/42/05/04/349420504.db2.gz XMEQERYEZMPSAI-SECBINFHSA-N 1 0 238.287 0.448 20 30 BCEDRO Cc1nc(NC[C@](C)(O)C[NH+](C)C)ccc1C#N ZINC000291985764 180021045 /nfs/dbraw/zinc/02/10/45/180021045.db2.gz QEGMPVRLUZGAGU-ZDUSSCGKSA-N 1 0 248.330 0.986 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1CN(C)CCO1 ZINC000618523666 350126764 /nfs/dbraw/zinc/12/67/64/350126764.db2.gz MDDLMDZODYDOED-NSHDSACASA-N 1 0 242.319 0.026 20 30 BCEDRO C=CCCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000304189824 350148302 /nfs/dbraw/zinc/14/83/02/350148302.db2.gz AERDARYQBUBENF-GFCCVEGCSA-N 1 0 228.336 0.235 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000367774898 350237724 /nfs/dbraw/zinc/23/77/24/350237724.db2.gz ASEXHSNSUHVYHG-WCQYABFASA-N 1 0 235.331 0.745 20 30 BCEDRO CCC[C@H](C#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000386229700 362951766 /nfs/dbraw/zinc/95/17/66/362951766.db2.gz LYUPCZPEHTYHHQ-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCCC[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000605149637 350258180 /nfs/dbraw/zinc/25/81/80/350258180.db2.gz IGCHYCUMJNIDEB-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN(C)[C@@H](C)CC#N ZINC000309266822 350247578 /nfs/dbraw/zinc/24/75/78/350247578.db2.gz QHFKRVJCKBBHTP-NWDGAFQWSA-N 1 0 227.352 0.921 20 30 BCEDRO C=CCNC(=O)CN1CC[NH+](CC(C)C)CC1 ZINC000049969299 350270105 /nfs/dbraw/zinc/27/01/05/350270105.db2.gz HIJGVHDHLIRBLF-UHFFFAOYSA-N 1 0 239.363 0.562 20 30 BCEDRO CNC(=O)CC[N@H+](C)Cc1ccnc(C#N)c1 ZINC000228059405 350340968 /nfs/dbraw/zinc/34/09/68/350340968.db2.gz PXAHOCZHSXTVFP-UHFFFAOYSA-N 1 0 232.287 0.521 20 30 BCEDRO C[N@H+](CCNc1cc(C#N)ncn1)C1CC1 ZINC000309355042 350350998 /nfs/dbraw/zinc/35/09/98/350350998.db2.gz YFGGTESCMFLPMQ-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H](C)[N@H+]1C ZINC000328411874 350399942 /nfs/dbraw/zinc/39/99/42/350399942.db2.gz HFRLDENTUMKYTC-AOOOYVTPSA-N 1 0 231.303 0.877 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NCC[NH2+]C1CC1 ZINC000637307713 350435458 /nfs/dbraw/zinc/43/54/58/350435458.db2.gz SWAPHKUECJAVGE-JTQLQIEISA-N 1 0 241.335 0.222 20 30 BCEDRO C=CCN1CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000162703967 350417920 /nfs/dbraw/zinc/41/79/20/350417920.db2.gz HOYTVSIYBXVVEP-LBPRGKRZSA-N 1 0 237.347 0.411 20 30 BCEDRO CN1CC[C@@H]([N@H+](C)CCCCC#N)C1=O ZINC000336651720 350419306 /nfs/dbraw/zinc/41/93/06/350419306.db2.gz VRPAMAZPWYMDIF-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO CC#CCC[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000336654023 350420725 /nfs/dbraw/zinc/42/07/25/350420725.db2.gz JWODBFMPUUGZNG-LLVKDONJSA-N 1 0 244.360 0.366 20 30 BCEDRO CO[C@@H]1C[N@H+](CCCSCC#N)C[C@@H]1OC ZINC000336663272 350424670 /nfs/dbraw/zinc/42/46/70/350424670.db2.gz FTVJCXNBIDPTBO-PHIMTYICSA-N 1 0 244.360 0.979 20 30 BCEDRO CC#CCC[N@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000336665647 350426649 /nfs/dbraw/zinc/42/66/49/350426649.db2.gz FQRRKWSOBQSACB-NSHDSACASA-N 1 0 229.345 0.766 20 30 BCEDRO C=CC[N@H+](CCOC)CCN1CCOCC1 ZINC000336666898 350428231 /nfs/dbraw/zinc/42/82/31/350428231.db2.gz LPLHXIIFVYDLSY-UHFFFAOYSA-N 1 0 228.336 0.453 20 30 BCEDRO C=CC[N@@H+](C)CC1CCS(=O)(=O)CC1 ZINC000336673786 350431440 /nfs/dbraw/zinc/43/14/40/350431440.db2.gz QLPIYSAXTLBJKT-UHFFFAOYSA-N 1 0 217.334 0.929 20 30 BCEDRO CC#CCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000336703714 350455064 /nfs/dbraw/zinc/45/50/64/350455064.db2.gz NRKLPSCDJQHKDJ-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO C[C@@H](C#N)CN(CCN1CCNC1=O)C1CC1 ZINC000336727765 350484241 /nfs/dbraw/zinc/48/42/41/350484241.db2.gz WHPKDTBWLQLLCL-JTQLQIEISA-N 1 0 236.319 0.636 20 30 BCEDRO C=CC[C@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000159399330 191108275 /nfs/dbraw/zinc/10/82/75/191108275.db2.gz ILKHVYMZIQVDQL-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO CC(C)[NH+]1CCC(C(=O)NCC#N)CC1 ZINC000360097809 535144981 /nfs/dbraw/zinc/14/49/81/535144981.db2.gz LEWUELZGDMVCIW-UHFFFAOYSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCC[NH+]1CCC(NC(=O)COC)CC1 ZINC000606896002 350621510 /nfs/dbraw/zinc/62/15/10/350621510.db2.gz MYBNZTGKZGAMJC-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CCC[C@@H](C(=O)NC)C1 ZINC000304219823 350710448 /nfs/dbraw/zinc/71/04/48/350710448.db2.gz LNHSDCCNIMJORX-ZJUUUORDSA-N 1 0 240.303 0.172 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[NH+](CC(C)C)CC1 ZINC000304220323 350716817 /nfs/dbraw/zinc/71/68/17/350716817.db2.gz LXGRMKBKNFQXQG-LBPRGKRZSA-N 1 0 240.347 0.988 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)CC1(CC#N)CC1 ZINC000234357797 350697166 /nfs/dbraw/zinc/69/71/66/350697166.db2.gz NKPXTTODCLYBRV-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](O)C1 ZINC000216460871 350730578 /nfs/dbraw/zinc/73/05/78/350730578.db2.gz VQEAXYZJNAPEMI-VHSXEESVSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@H](OCCOC)C1 ZINC000339111186 350734938 /nfs/dbraw/zinc/73/49/38/350734938.db2.gz LNRINGDMNBKVCQ-GFCCVEGCSA-N 1 0 229.320 0.926 20 30 BCEDRO COCCO[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339112220 350734972 /nfs/dbraw/zinc/73/49/72/350734972.db2.gz USGMWXRHPVFQFX-GFCCVEGCSA-N 1 0 242.319 0.654 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617340323 350764271 /nfs/dbraw/zinc/76/42/71/350764271.db2.gz YUJDVUFYFZYHNP-ZWNOBZJWSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617342941 350772750 /nfs/dbraw/zinc/77/27/50/350772750.db2.gz ITSYMXDYOZECIG-VHSXEESVSA-N 1 0 226.320 0.522 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3ncccc3C#N)C[C@@H]21 ZINC000153161587 362982396 /nfs/dbraw/zinc/98/23/96/362982396.db2.gz RMGWMZKOPWRJAZ-NWDGAFQWSA-N 1 0 244.298 0.472 20 30 BCEDRO C[C@H](CNC(=O)C1(C#N)CC(C)C1)[NH+](C)C ZINC000122347940 362983440 /nfs/dbraw/zinc/98/34/40/362983440.db2.gz INVMMHSLLQQJEC-SQLBVSGCSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CCOCCCC(=O)NC[C@@H](C)[NH2+]C ZINC000282885700 350862186 /nfs/dbraw/zinc/86/21/86/350862186.db2.gz BHXMKIPOVGSCOS-SNVBAGLBSA-N 1 0 214.309 0.693 20 30 BCEDRO COC[C@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397571551 350920273 /nfs/dbraw/zinc/92/02/73/350920273.db2.gz BZLYESQKWWGHLE-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO C#CC[NH2+][C@@H](C(N)=O)[C@@H](C)c1ccccc1 ZINC000292380966 350958751 /nfs/dbraw/zinc/95/87/51/350958751.db2.gz ZEKRTAKJNXCYCP-CMPLNLGQSA-N 1 0 216.284 0.867 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NCC#N)c1cccnc1 ZINC000035692114 358458899 /nfs/dbraw/zinc/45/88/99/358458899.db2.gz BTSWIOHRQWNKJK-VIFPVBQESA-N 1 0 218.260 0.372 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H](CC#N)C1 ZINC000397598138 350950560 /nfs/dbraw/zinc/95/05/60/350950560.db2.gz KWDAWKUACWGLLN-NSHDSACASA-N 1 0 221.304 0.914 20 30 BCEDRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H](C)C#N)C1 ZINC000389905011 351054496 /nfs/dbraw/zinc/05/44/96/351054496.db2.gz SCANIRIXBUPHGT-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000289970444 351081592 /nfs/dbraw/zinc/08/15/92/351081592.db2.gz WBVYOVAAINJGAG-NSHDSACASA-N 1 0 220.272 0.422 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000289970441 351081720 /nfs/dbraw/zinc/08/17/20/351081720.db2.gz WBVYOVAAINJGAG-LLVKDONJSA-N 1 0 220.272 0.422 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000336722507 351168479 /nfs/dbraw/zinc/16/84/79/351168479.db2.gz FDZYDEHGVDWNSF-MXWKQRLJSA-N 1 0 210.277 0.420 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[N@@H+]3CCC[C@@H]3C2)n1 ZINC000231903633 351451833 /nfs/dbraw/zinc/45/18/33/351451833.db2.gz AKHOBSUPKSUUJY-GFCCVEGCSA-N 1 0 243.314 0.941 20 30 BCEDRO C=CCS(=O)(=O)CC[NH+]=C(N(C)C)N(C)C ZINC000272781926 351494210 /nfs/dbraw/zinc/49/42/10/351494210.db2.gz BQAOFIOJDBBSAB-UHFFFAOYSA-N 1 0 247.364 0.066 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@H](O)CCc1ccccc1 ZINC000272885782 351499935 /nfs/dbraw/zinc/49/99/35/351499935.db2.gz AOIPOXLAMVRKJI-GFCCVEGCSA-N 1 0 235.331 0.856 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NC(C)(C)C ZINC000272881763 351500220 /nfs/dbraw/zinc/50/02/20/351500220.db2.gz YJOJQOULOGOOMS-UHFFFAOYSA-N 1 0 247.364 0.290 20 30 BCEDRO Cc1ccc(C#N)c(N2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000090322793 363038710 /nfs/dbraw/zinc/03/87/10/363038710.db2.gz ZBRSKCZRILNYRT-RYUDHWBXSA-N 1 0 228.299 0.917 20 30 BCEDRO N#Cc1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000090322588 363039723 /nfs/dbraw/zinc/03/97/23/363039723.db2.gz GBVCAPUWDUATPT-RYUDHWBXSA-N 1 0 228.299 0.604 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)CCc1ccccc1 ZINC000273352202 351521433 /nfs/dbraw/zinc/52/14/33/351521433.db2.gz QNNLTGCEKMRDRX-NSHDSACASA-N 1 0 221.304 0.514 20 30 BCEDRO Cc1nccn1CCNC(=O)NCCCC#N ZINC000273514653 351534122 /nfs/dbraw/zinc/53/41/22/351534122.db2.gz JCIIMLBSCXZIDU-UHFFFAOYSA-N 1 0 235.291 0.795 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1c[nH]nc1C ZINC000336728077 351548218 /nfs/dbraw/zinc/54/82/18/351548218.db2.gz HYHFFXJKTUBZFE-JTQLQIEISA-N 1 0 209.293 0.992 20 30 BCEDRO C[C@H]1C[C@]1(C#N)C(=O)N(C)CCC[NH+](C)C ZINC000577697103 366038113 /nfs/dbraw/zinc/03/81/13/366038113.db2.gz GPYIAGRMXDSXHN-CMPLNLGQSA-N 1 0 223.320 0.946 20 30 BCEDRO CO[C@@H](C[NH3+])CC(=O)N(C)[C@H](C)CC#N ZINC000232120364 351832535 /nfs/dbraw/zinc/83/25/35/351832535.db2.gz XMNGWAHZCWSIQS-RKDXNWHRSA-N 1 0 213.281 0.111 20 30 BCEDRO C=C[C@@H](C)NC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638003760 351882769 /nfs/dbraw/zinc/88/27/69/351882769.db2.gz SMZRCSRTBWDARO-ZYHUDNBSSA-N 1 0 226.320 0.836 20 30 BCEDRO C=C[C@H](C)NC(=O)c1cnc(C[NH3+])nc1 ZINC000638002117 351878260 /nfs/dbraw/zinc/87/82/60/351878260.db2.gz HSPJJDCBNTYTCC-ZETCQYMHSA-N 1 0 206.249 0.240 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638004249 351879146 /nfs/dbraw/zinc/87/91/46/351879146.db2.gz XEDWLBWKCXFKMJ-GXSJLCMTSA-N 1 0 212.293 0.433 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@@H]1CCC[N@H+]1C ZINC000282075017 351922461 /nfs/dbraw/zinc/92/24/61/351922461.db2.gz TVYNPEBFVUKOTR-JTQLQIEISA-N 1 0 205.261 0.066 20 30 BCEDRO C=CC1CC[NH+](Cc2cnc(N)nc2N)CC1 ZINC000638071939 351943734 /nfs/dbraw/zinc/94/37/34/351943734.db2.gz IKTFSTQMSXGBNQ-UHFFFAOYSA-N 1 0 233.319 0.700 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638009799 351888177 /nfs/dbraw/zinc/88/81/77/351888177.db2.gz OEFBNFFALJKJRW-ONGXEEELSA-N 1 0 212.293 0.446 20 30 BCEDRO C=C[C@H](CO)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000336734856 351898953 /nfs/dbraw/zinc/89/89/53/351898953.db2.gz NPQHSVVZHWVYKZ-GRYCIOLGSA-N 1 0 210.321 0.750 20 30 BCEDRO Cc1cnc(CON=C(N)[C@H]2CCCO2)o1 ZINC000283920709 351986615 /nfs/dbraw/zinc/98/66/15/351986615.db2.gz DUXBANZRCVOFJT-MRVPVSSYSA-N 1 0 225.248 0.951 20 30 BCEDRO CC#CC[N@@H+](C)CCCNS(=O)(=O)CC ZINC000339763068 191147744 /nfs/dbraw/zinc/14/77/44/191147744.db2.gz KIFCZFMAHRTBAT-UHFFFAOYSA-N 1 0 232.349 0.271 20 30 BCEDRO C=CCNC(=O)CNC(=O)[C@H]([NH3+])CCC(C)C ZINC000638282411 352120554 /nfs/dbraw/zinc/12/05/54/352120554.db2.gz SBOLETKLYVMSPV-SNVBAGLBSA-N 1 0 241.335 0.168 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340222154 352078005 /nfs/dbraw/zinc/07/80/05/352078005.db2.gz NJJQIQYZHYDPQY-UWVGGRQHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCC(O)(COC)CC1 ZINC000340229844 352088042 /nfs/dbraw/zinc/08/80/42/352088042.db2.gz AFEJWYUJCQDGCH-LBPRGKRZSA-N 1 0 243.347 0.787 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000627016587 363115057 /nfs/dbraw/zinc/11/50/57/363115057.db2.gz NSPJTBUHRINGMV-LLVKDONJSA-N 1 0 235.331 0.984 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CCC1C[NH2+]C1 ZINC000638363537 352173719 /nfs/dbraw/zinc/17/37/19/352173719.db2.gz OBOSXRBOMFGTDS-RYUDHWBXSA-N 1 0 238.331 0.693 20 30 BCEDRO C=C1CCN(C(=O)[C@@]2(C)C[C@H](OC)C[NH2+]2)CC1 ZINC000638381668 352193681 /nfs/dbraw/zinc/19/36/81/352193681.db2.gz NXLSHQNKEHUFGU-WCQYABFASA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCCCCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627014791 363113867 /nfs/dbraw/zinc/11/38/67/363113867.db2.gz FZDYUIUNYJSRKN-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000613365289 363136747 /nfs/dbraw/zinc/13/67/47/363136747.db2.gz VTLJJKSQCOVYBM-JTQLQIEISA-N 1 0 249.314 0.833 20 30 BCEDRO CNC(NC[C@@]1(CO)C[C@H]1c1ccccc1)=[NH+]C ZINC000290714955 352237134 /nfs/dbraw/zinc/23/71/34/352237134.db2.gz UKLFOJQSMQIEBG-GXTWGEPZSA-N 1 0 247.342 0.947 20 30 BCEDRO C=CC[C@H](CC)NC(=O)N(C)CCOCC[NH3+] ZINC000627027095 363120791 /nfs/dbraw/zinc/12/07/91/363120791.db2.gz IPPIFZIBMSXDBS-NSHDSACASA-N 1 0 243.351 0.958 20 30 BCEDRO C=CCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638406768 352215696 /nfs/dbraw/zinc/21/56/96/352215696.db2.gz NZIRVDKWVYZEFY-NSHDSACASA-N 1 0 212.293 0.434 20 30 BCEDRO C=CCOCCCNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638416387 352228900 /nfs/dbraw/zinc/22/89/00/352228900.db2.gz WIMQQOZSUBNBTR-GFCCVEGCSA-N 1 0 242.319 0.074 20 30 BCEDRO C=CCOCCNC(=O)[C@H](C)[NH2+]CC ZINC000638424027 352231302 /nfs/dbraw/zinc/23/13/02/352231302.db2.gz HQOFIKABMGMOOQ-VIFPVBQESA-N 1 0 200.282 0.303 20 30 BCEDRO C=C[C@H](O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000613351090 363134628 /nfs/dbraw/zinc/13/46/28/363134628.db2.gz ZUAPSAAGQSJGBG-JTQLQIEISA-N 1 0 226.320 0.381 20 30 BCEDRO NC(=[NH2+])NC[C@]1(CO)C[C@H]1c1ccccc1 ZINC000290666129 352234158 /nfs/dbraw/zinc/23/41/58/352234158.db2.gz OJHUISAOAQAWCK-JQWIXIFHSA-N 1 0 219.288 0.426 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCc1cn[nH]c1 ZINC000290655490 352234207 /nfs/dbraw/zinc/23/42/07/352234207.db2.gz NHZQLXBXVXDCSD-QMMMGPOBSA-N 1 0 209.297 0.655 20 30 BCEDRO C#CCN(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000291378572 352273880 /nfs/dbraw/zinc/27/38/80/352273880.db2.gz VVKOIRQPOXDJKR-SNVBAGLBSA-N 1 0 209.293 0.355 20 30 BCEDRO C=CC(C)(C)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627050159 363170781 /nfs/dbraw/zinc/17/07/81/363170781.db2.gz CSMWYXKVVYLAGG-JTQLQIEISA-N 1 0 241.335 0.486 20 30 BCEDRO Cc1nnsc1C[NH+]=C(N(C)C)N(C)C ZINC000291838522 352291460 /nfs/dbraw/zinc/29/14/60/352291460.db2.gz DRESHAGMVMFZIL-UHFFFAOYSA-N 1 0 227.337 0.826 20 30 BCEDRO C[C@H]1C[C@H](Nc2ncncc2C#N)CC[NH2+]1 ZINC000304487914 363183843 /nfs/dbraw/zinc/18/38/43/363183843.db2.gz PJWRTGPLLCSETG-WCBMZHEXSA-N 1 0 217.276 0.901 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627056597 363174992 /nfs/dbraw/zinc/17/49/92/363174992.db2.gz XUGNEEWHPOGSMR-JTQLQIEISA-N 1 0 227.308 0.240 20 30 BCEDRO C[C@H](CCC#N)[N@H+](C)CCN1CCOCC1 ZINC000411220971 191171247 /nfs/dbraw/zinc/17/12/47/191171247.db2.gz GUAZNEYHCINYHR-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000638569253 352394715 /nfs/dbraw/zinc/39/47/15/352394715.db2.gz JMQAKDKPTOIKFI-VHSXEESVSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCN(C)CC[N@@H+](CC)CCC(=O)OC ZINC000411641680 191202513 /nfs/dbraw/zinc/20/25/13/191202513.db2.gz LWBREQVZULXVEY-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)NC ZINC000411644181 191202663 /nfs/dbraw/zinc/20/26/63/191202663.db2.gz QNTSBEWXSCDFHQ-UHFFFAOYSA-N 1 0 213.325 0.172 20 30 BCEDRO C=CCN(C)CC[N@H+](CC)CCCO ZINC000411645630 191203253 /nfs/dbraw/zinc/20/32/53/191203253.db2.gz TVHZWOQWKVRBCY-UHFFFAOYSA-N 1 0 200.326 0.809 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@H](C)CC[NH+](C)C ZINC000044825953 352442277 /nfs/dbraw/zinc/44/22/77/352442277.db2.gz MKJHZAMBASNTSW-NXEZZACHSA-N 1 0 211.309 0.993 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638648843 352492105 /nfs/dbraw/zinc/49/21/05/352492105.db2.gz OPUNRNCZPVFQAY-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)OC)CC1 ZINC000171714492 166352094 /nfs/dbraw/zinc/35/20/94/166352094.db2.gz IXVZQMPDCVOZLA-SNVBAGLBSA-N 1 0 226.320 0.788 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232316015 352618857 /nfs/dbraw/zinc/61/88/57/352618857.db2.gz FHLDJJJNIJNPSF-QMMMGPOBSA-N 1 0 220.276 0.250 20 30 BCEDRO CC#CC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000277860270 187752221 /nfs/dbraw/zinc/75/22/21/187752221.db2.gz ZHUWUKGJFXZZJS-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C=CCNC(=O)CN1CCO[C@@H](C2CCC2)C1 ZINC000411866114 191225148 /nfs/dbraw/zinc/22/51/48/191225148.db2.gz VKCALUROYIVJHP-GFCCVEGCSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCC[N@H+]1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000411899823 191228704 /nfs/dbraw/zinc/22/87/04/191228704.db2.gz CODRQRDSQWAFPL-LLVKDONJSA-N 1 0 226.320 0.599 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H](O)C[C@H]1COC ZINC000411909841 191229675 /nfs/dbraw/zinc/22/96/75/191229675.db2.gz KSNDHRBWFPKVTL-QWRGUYRKSA-N 1 0 215.293 0.271 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411961177 191234775 /nfs/dbraw/zinc/23/47/75/191234775.db2.gz XNIQIDXAYWLNPR-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H](C)c1nncn1C ZINC000336744262 352697253 /nfs/dbraw/zinc/69/72/53/352697253.db2.gz PZRBURLMHYPCJC-ZJUUUORDSA-N 1 0 224.308 0.793 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H](C)c1nncn1C ZINC000336744260 352697271 /nfs/dbraw/zinc/69/72/71/352697271.db2.gz PZRBURLMHYPCJC-UWVGGRQHSA-N 1 0 224.308 0.793 20 30 BCEDRO CC(C)(CN1CCOCC1)[NH2+]CC1(C#N)CC1 ZINC000411999165 191235999 /nfs/dbraw/zinc/23/59/99/191235999.db2.gz QCPFPBZAUFNDTF-UHFFFAOYSA-N 1 0 237.347 0.991 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)C1(OC)CCC1 ZINC000412020741 191238401 /nfs/dbraw/zinc/23/84/01/191238401.db2.gz LZBQFIAWRJYZHJ-JTQLQIEISA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411932870 191230822 /nfs/dbraw/zinc/23/08/22/191230822.db2.gz AHSBKEIJIIBPHX-VXGBXAGGSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@]1(OC)CCOC1 ZINC000638756853 352686405 /nfs/dbraw/zinc/68/64/05/352686405.db2.gz DDRZHGVYMFURDF-GFCCVEGCSA-N 1 0 229.320 0.974 20 30 BCEDRO N#Cc1cncnc1N1CCC(C[NH3+])CC1 ZINC000304498929 363194806 /nfs/dbraw/zinc/19/48/06/363194806.db2.gz UJHFWROGOVZQLG-UHFFFAOYSA-N 1 0 217.276 0.523 20 30 BCEDRO CC[NH+]1CCN(c2nc(C)cc(C#N)n2)CC1 ZINC000032016085 352740506 /nfs/dbraw/zinc/74/05/06/352740506.db2.gz RWJLGQLRIZAETJ-UHFFFAOYSA-N 1 0 231.303 0.799 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H]([C@@H](C)O)C1 ZINC000412071633 191251861 /nfs/dbraw/zinc/25/18/61/191251861.db2.gz GNEUJXPHADTLJZ-GRYCIOLGSA-N 1 0 229.320 0.395 20 30 BCEDRO CC#CC[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000412083791 191254599 /nfs/dbraw/zinc/25/45/99/191254599.db2.gz SMVAODBNLWRPJT-JTQLQIEISA-N 1 0 227.329 0.848 20 30 BCEDRO C=CC[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000334230292 352847849 /nfs/dbraw/zinc/84/78/49/352847849.db2.gz JMMWZGNFQLYXIG-NEPJUHHUSA-N 1 0 210.321 0.967 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@](C)(OC)C1CC1 ZINC000638847373 353027686 /nfs/dbraw/zinc/02/76/86/353027686.db2.gz RAWPHONTNZQVTE-LBPRGKRZSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1ncnn1CC ZINC000638830616 353009708 /nfs/dbraw/zinc/00/97/08/353009708.db2.gz QUBJPHIVCWUCTP-JTQLQIEISA-N 1 0 224.308 0.572 20 30 BCEDRO C=CCCn1cc(C(=O)N2C[C@@H]([NH3+])C[C@@H]2C)nn1 ZINC000638929399 353099278 /nfs/dbraw/zinc/09/92/78/353099278.db2.gz OWLBUHPEPROSGT-UWVGGRQHSA-N 1 0 249.318 0.416 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638939969 353124652 /nfs/dbraw/zinc/12/46/52/353124652.db2.gz TUVKBXVHQSFPCI-GMTAPVOTSA-N 1 0 226.320 0.916 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000398672525 353127508 /nfs/dbraw/zinc/12/75/08/353127508.db2.gz MIIVLUTVOLEGSN-SECBINFHSA-N 1 0 207.277 0.310 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000638946945 353149498 /nfs/dbraw/zinc/14/94/98/353149498.db2.gz GYFBDRRLWBSYNJ-XYPYZODXSA-N 1 0 226.320 0.823 20 30 BCEDRO C#CCN1CCN(C(=O)c2cccc(O)c2)CC1 ZINC000177642293 188079714 /nfs/dbraw/zinc/07/97/14/188079714.db2.gz NWDXMSXWAFVVLI-UHFFFAOYSA-N 1 0 244.294 0.783 20 30 BCEDRO C#CCC(CC#C)C(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000278759478 188095250 /nfs/dbraw/zinc/09/52/50/188095250.db2.gz FXAVWKBYFIPYMY-GFCCVEGCSA-N 1 0 232.327 0.717 20 30 BCEDRO C=C(Cl)C[NH2+]C1CCN(C=O)CC1 ZINC000278753171 188095970 /nfs/dbraw/zinc/09/59/70/188095970.db2.gz OAAYIJUPXBNNBV-UHFFFAOYSA-N 1 0 202.685 0.949 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)CC(N)=O ZINC000267209508 188088194 /nfs/dbraw/zinc/08/81/94/188088194.db2.gz HAWCABNTUALWHF-MRVPVSSYSA-N 1 0 200.307 0.206 20 30 BCEDRO CNC(=O)NC(=O)C[N@H+](C)C[C@@H]1CC=CCC1 ZINC000330852873 353194733 /nfs/dbraw/zinc/19/47/33/353194733.db2.gz RCVQDRLCMXANDC-SNVBAGLBSA-N 1 0 239.319 0.935 20 30 BCEDRO C#CC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000052216202 353192611 /nfs/dbraw/zinc/19/26/11/353192611.db2.gz MXUGZLSUNARUJS-UHFFFAOYSA-N 1 0 207.277 0.109 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000330948956 353203202 /nfs/dbraw/zinc/20/32/02/353203202.db2.gz NGIQTMVXMWDETR-LBPRGKRZSA-N 1 0 248.330 0.832 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000330924811 353206594 /nfs/dbraw/zinc/20/65/94/353206594.db2.gz GHVFZJLVRAXYJR-WDEREUQCSA-N 1 0 241.335 0.785 20 30 BCEDRO C=CCOCCCC(=O)N[C@H](C)C[NH3+] ZINC000336762749 353209159 /nfs/dbraw/zinc/20/91/59/353209159.db2.gz OMUYBRVRRGIOAR-SECBINFHSA-N 1 0 200.282 0.433 20 30 BCEDRO CCC[C@@]1(CO)CCC[N@@H+]1CC(=O)NCC#N ZINC000331282466 353234130 /nfs/dbraw/zinc/23/41/30/353234130.db2.gz DCPWRVIRXPSBJO-LBPRGKRZSA-N 1 0 239.319 0.253 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000331163004 353224271 /nfs/dbraw/zinc/22/42/71/353224271.db2.gz GQGKOHYHYMADHQ-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NCCC#N ZINC000331127666 353225024 /nfs/dbraw/zinc/22/50/24/353225024.db2.gz FBNWTKOEQPFEHG-SNVBAGLBSA-N 1 0 224.308 0.888 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)NCCC#N ZINC000331127665 353225088 /nfs/dbraw/zinc/22/50/88/353225088.db2.gz FBNWTKOEQPFEHG-JTQLQIEISA-N 1 0 224.308 0.888 20 30 BCEDRO N#Cc1csc(C[NH2+]CCCOCCO)n1 ZINC000309545285 188167900 /nfs/dbraw/zinc/16/79/00/188167900.db2.gz ZPLMJCLRXNONLA-UHFFFAOYSA-N 1 0 241.316 0.503 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](NC(=O)NCCF)C1 ZINC000331220727 353231441 /nfs/dbraw/zinc/23/14/41/353231441.db2.gz AFMXLQORGDUOGE-SECBINFHSA-N 1 0 233.287 0.180 20 30 BCEDRO COCCOCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336765108 353259101 /nfs/dbraw/zinc/25/91/01/353259101.db2.gz QOAAALSNEYSVRC-GHMZBOCLSA-N 1 0 212.293 0.931 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[C@@H]([C@H](C)[NH3+])C1 ZINC000070074592 353253312 /nfs/dbraw/zinc/25/33/12/353253312.db2.gz IKQMQAXXVAYIAR-SDDRHHMPSA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCNC(=O)C[NH2+]CC(C)(C)COC ZINC000336764710 353256996 /nfs/dbraw/zinc/25/69/96/353256996.db2.gz QDOBBUNDCDWJLN-UHFFFAOYSA-N 1 0 214.309 0.551 20 30 BCEDRO N#Cc1ccnc(NCC[NH+]2CCCC2)n1 ZINC000231900680 188187803 /nfs/dbraw/zinc/18/78/03/188187803.db2.gz YSGKJVKHGZAOGV-UHFFFAOYSA-N 1 0 217.276 0.856 20 30 BCEDRO CCC(=O)CCC[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000331289783 353242590 /nfs/dbraw/zinc/24/25/90/353242590.db2.gz AZUYZLGKEPQHJX-JTQLQIEISA-N 1 0 241.335 0.953 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)C(=O)OC ZINC000250204837 353269934 /nfs/dbraw/zinc/26/99/34/353269934.db2.gz QBUNBFMTVYJHOW-VHSXEESVSA-N 1 0 242.319 0.418 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](COC)CC(C)C ZINC000336767238 353272055 /nfs/dbraw/zinc/27/20/55/353272055.db2.gz POBTVBHIBSTOSH-NSHDSACASA-N 1 0 228.336 0.939 20 30 BCEDRO N#Cc1csc(C[NH2+]C[C@]2(O)CCOC2)c1 ZINC000126183169 188220590 /nfs/dbraw/zinc/22/05/90/188220590.db2.gz IOXGIBNYQYLMOH-LLVKDONJSA-N 1 0 238.312 0.861 20 30 BCEDRO CN(CC[NH+]1CCCC1)c1cnc(C#N)cn1 ZINC000071179091 353264647 /nfs/dbraw/zinc/26/46/47/353264647.db2.gz CFUOQMMZNCHHQV-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO CCNC(=O)[C@H](C)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336770273 353300597 /nfs/dbraw/zinc/30/05/97/353300597.db2.gz VNXWQDJXABQBLJ-GUBZILKMSA-N 1 0 209.293 0.793 20 30 BCEDRO CC[NH+](CC)[C@@H]1CCN(CC(=O)NCC#N)C1 ZINC000076058910 353330980 /nfs/dbraw/zinc/33/09/80/353330980.db2.gz RWMZDHMLVVHHOY-LLVKDONJSA-N 1 0 238.335 0.042 20 30 BCEDRO C=CCCC[N@@H+](C)CCC(=O)NC(N)=O ZINC000076737287 353341079 /nfs/dbraw/zinc/34/10/79/353341079.db2.gz QXBHDKKQUODQIF-UHFFFAOYSA-N 1 0 213.281 0.469 20 30 BCEDRO CC#CCN(CCOC)CC(=O)N(C)C ZINC000130246864 353343573 /nfs/dbraw/zinc/34/35/73/353343573.db2.gz PSOCPBTUSUQQJG-UHFFFAOYSA-N 1 0 212.293 0.046 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCCn1ccnc1 ZINC000130399076 353350476 /nfs/dbraw/zinc/35/04/76/353350476.db2.gz HSZUEGKRPTWWIG-GFCCVEGCSA-N 1 0 248.330 0.343 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]C[C@H](O)CO ZINC000090282787 353382755 /nfs/dbraw/zinc/38/27/55/353382755.db2.gz FLFXBRZEDVDNTP-LBPRGKRZSA-N 1 0 235.283 0.141 20 30 BCEDRO C#CCNC(=O)c1ccccc1CC[NH2+]C ZINC000123215825 324101406 /nfs/dbraw/zinc/10/14/06/324101406.db2.gz IAHLGUXQERHYEN-UHFFFAOYSA-N 1 0 216.284 0.812 20 30 BCEDRO CC#CC[NH2+][C@](C)(COC)CC(=O)OC ZINC000336773989 353423030 /nfs/dbraw/zinc/42/30/30/353423030.db2.gz 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IDCPJKAOKIZSCH-NWDGAFQWSA-N 1 0 248.330 0.648 20 30 BCEDRO C#CC[N@H+](CC)CCC(=O)OC[C@@H](C)O ZINC000281341832 353434837 /nfs/dbraw/zinc/43/48/37/353434837.db2.gz QQMXDHLJTFSCPQ-SNVBAGLBSA-N 1 0 213.277 0.256 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H](C)CO)C1=O ZINC000282880182 353485525 /nfs/dbraw/zinc/48/55/25/353485525.db2.gz VGSOXLLRVULFDF-UWVGGRQHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC(=O)[C@@H](C)C2)C1=O ZINC000282967386 353487368 /nfs/dbraw/zinc/48/73/68/353487368.db2.gz DVAVKHNVVQXRRA-WDEREUQCSA-N 1 0 236.315 0.684 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](CO)C2)C1=O ZINC000281942841 353459805 /nfs/dbraw/zinc/45/98/05/353459805.db2.gz IZNSRTHZXLZXQL-WDEREUQCSA-N 1 0 224.304 0.088 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)CC(C)(C)O)C1=O ZINC000281983397 353460326 /nfs/dbraw/zinc/46/03/26/353460326.db2.gz MFNCGNQSQFHFCT-SNVBAGLBSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CC)CCCO)C1=O ZINC000282126115 353463731 /nfs/dbraw/zinc/46/37/31/353463731.db2.gz 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0.871 20 30 BCEDRO C=CCNC(=O)NCC1CC[NH+](C)CC1 ZINC000038572979 358485670 /nfs/dbraw/zinc/48/56/70/358485670.db2.gz HTFBCRNPBLKXNA-UHFFFAOYSA-N 1 0 211.309 0.813 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C[C@@H](C[NH3+])OC ZINC000232125180 363363941 /nfs/dbraw/zinc/36/39/41/363363941.db2.gz OVPDRRXBAIDHAY-BDAKNGLRSA-N 1 0 200.282 0.431 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)NCCCC#N)CC1 ZINC000334590401 354220380 /nfs/dbraw/zinc/22/03/80/354220380.db2.gz UPXHJNQUCSKAEN-UHFFFAOYSA-N 1 0 224.308 0.637 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)cc1 ZINC000366563714 181100505 /nfs/dbraw/zinc/10/05/05/181100505.db2.gz FCOJYZCFRDRWCB-RYUDHWBXSA-N 1 0 247.273 0.988 20 30 BCEDRO N#Cc1ccc(CC(=O)NCC[NH+]2CCC2)cc1 ZINC000337317522 181102163 /nfs/dbraw/zinc/10/21/63/181102163.db2.gz LSDAWMCCDUFZQX-UHFFFAOYSA-N 1 0 243.310 0.923 20 30 BCEDRO N#Cc1ccc(C[NH+](CCO)CCO)cc1 ZINC000040420161 181102353 /nfs/dbraw/zinc/10/23/53/181102353.db2.gz OPWCJOYJPCILQJ-UHFFFAOYSA-N 1 0 220.272 0.345 20 30 BCEDRO N#CCCCNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000332061946 134003800 /nfs/dbraw/zinc/00/38/00/134003800.db2.gz ZAQFSQHZENJRDU-SNVBAGLBSA-N 1 0 224.308 0.731 20 30 BCEDRO CS[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@@H]1[NH+](C)C ZINC000344761939 354355959 /nfs/dbraw/zinc/35/59/59/354355959.db2.gz ROLGQUDLFNLMID-LPEHRKFASA-N 1 0 241.360 0.650 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCOCCO)cc1 ZINC000020198759 181108484 /nfs/dbraw/zinc/10/84/84/181108484.db2.gz BZGSJKFJDKZYDI-UHFFFAOYSA-N 1 0 220.272 0.657 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@]2(O)CCOC2)s1 ZINC000126190277 181109773 /nfs/dbraw/zinc/10/97/73/181109773.db2.gz JPJWUUOKUQPPMW-LLVKDONJSA-N 1 0 238.312 0.861 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CCOC[C@H](O)C2)cc1 ZINC000294848112 181104562 /nfs/dbraw/zinc/10/45/62/181104562.db2.gz RVCZLVPCASKNNW-CYBMUJFWSA-N 1 0 232.283 0.751 20 30 BCEDRO N#Cc1ccc(C[N@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000245722540 181105632 /nfs/dbraw/zinc/10/56/32/181105632.db2.gz RLDLTPDVYZTJRP-QWHCGFSZSA-N 1 0 232.283 0.486 20 30 BCEDRO N#Cc1ccc(C[NH2+]C(CO)CO)c(F)c1 ZINC000083693623 181106876 /nfs/dbraw/zinc/10/68/76/181106876.db2.gz DOUQCDYNMOWIMP-UHFFFAOYSA-N 1 0 224.235 0.140 20 30 BCEDRO CC[NH+]1CCN(CC(=O)N[C@@H](C)CC#N)CC1 ZINC000344988810 354389084 /nfs/dbraw/zinc/38/90/84/354389084.db2.gz IJAIHSYMGPDLPL-NSHDSACASA-N 1 0 238.335 0.042 20 30 BCEDRO N#Cc1ccc(N2CC[C@H]([NH+]3CC=CC3)C2)nn1 ZINC000302014256 181116798 /nfs/dbraw/zinc/11/67/98/181116798.db2.gz XKZUHOXOVDQBNK-LBPRGKRZSA-N 1 0 241.298 0.799 20 30 BCEDRO N#Cc1ccc(NC(=O)N2CC[NH2+]CC2)cc1 ZINC000019256274 181118422 /nfs/dbraw/zinc/11/84/22/181118422.db2.gz JSILRQXXFUMQFQ-UHFFFAOYSA-N 1 0 230.271 0.995 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@]2(CO)CCOC2)c1 ZINC000184194229 181138333 /nfs/dbraw/zinc/13/83/33/181138333.db2.gz GEVZXOIHAZJVRM-CYBMUJFWSA-N 1 0 232.283 0.799 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000179026099 181138459 /nfs/dbraw/zinc/13/84/59/181138459.db2.gz IRMNIQFKLIFXDW-ZDUSSCGKSA-N 1 0 232.283 0.799 20 30 BCEDRO N#Cc1cccc(C(=O)N2CC[NH2+]CC2)c1 ZINC000019282214 181135746 /nfs/dbraw/zinc/13/57/46/181135746.db2.gz PETUBDODDHRBNM-UHFFFAOYSA-N 1 0 215.256 0.604 20 30 BCEDRO N#Cc1cccc(S(=O)(=O)NCCC[NH3+])c1 ZINC000021510676 181143615 /nfs/dbraw/zinc/14/36/15/181143615.db2.gz USNVVNYHRCULBE-UHFFFAOYSA-N 1 0 239.300 0.185 20 30 BCEDRO N#Cc1ccccc1CN1CCOC[C@H](O)C1 ZINC000294706798 181145242 /nfs/dbraw/zinc/14/52/42/181145242.db2.gz DJJSFUORTMMSCA-CYBMUJFWSA-N 1 0 232.283 0.751 20 30 BCEDRO CC[N@H+](C)CCNC(=O)NCCCC#N ZINC000345355835 354628495 /nfs/dbraw/zinc/62/84/95/354628495.db2.gz SEHHCPGHDYAVPP-UHFFFAOYSA-N 1 0 212.297 0.541 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000345318904 354609520 /nfs/dbraw/zinc/60/95/20/354609520.db2.gz LYPMHTTWLSTUMF-KXUCPTDWSA-N 1 0 209.293 0.745 20 30 BCEDRO C[NH+](C)C1(CNc2ccnc(C#N)n2)CCC1 ZINC000383647496 354720230 /nfs/dbraw/zinc/72/02/30/354720230.db2.gz IJKRJTSTIWSBFH-UHFFFAOYSA-N 1 0 231.303 0.666 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000345638535 354721110 /nfs/dbraw/zinc/72/11/10/354721110.db2.gz YLJTXMKZVOCNBT-CYBMUJFWSA-N 1 0 240.347 0.866 20 30 BCEDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@H](C)C#N ZINC000345816991 354785530 /nfs/dbraw/zinc/78/55/30/354785530.db2.gz ONZJJSQSIHQRNG-NXEZZACHSA-N 1 0 211.309 0.993 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000335136389 354786366 /nfs/dbraw/zinc/78/63/66/354786366.db2.gz AHIZOSSUVPOQJW-UWVGGRQHSA-N 1 0 209.293 0.531 20 30 BCEDRO C=CCCC[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000345898618 354802178 /nfs/dbraw/zinc/80/21/78/354802178.db2.gz CLNODESNIHKTFZ-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000346456369 354948625 /nfs/dbraw/zinc/94/86/25/354948625.db2.gz OLRFKFFSPKTCDF-NEPJUHHUSA-N 1 0 238.331 0.620 20 30 BCEDRO CN(CCC#N)C(=O)C12CCC[NH+]1CCC2 ZINC000335191148 355023952 /nfs/dbraw/zinc/02/39/52/355023952.db2.gz VPRIQKUJKKLRND-UHFFFAOYSA-N 1 0 221.304 0.987 20 30 BCEDRO CC(C)([NH3+])CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000335212808 355050275 /nfs/dbraw/zinc/05/02/75/355050275.db2.gz FWNJGCMRBLARQF-DTWKUNHWSA-N 1 0 224.308 0.715 20 30 BCEDRO CC[N@@H+]1CC[C@H](NC(=O)[C@@]2(C#N)C[C@H]2C)C1 ZINC000412874218 191323111 /nfs/dbraw/zinc/32/31/11/191323111.db2.gz IPRQYPDAIWCCEW-JFGNBEQYSA-N 1 0 221.304 0.747 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@@H+](CC)C1 ZINC000412876875 191324251 /nfs/dbraw/zinc/32/42/51/191324251.db2.gz KWHWRWFSSZBYBM-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1ncc(C#N)cc1F ZINC000413131255 191357693 /nfs/dbraw/zinc/35/76/93/191357693.db2.gz AJQGPIZYBVXBAE-NSHDSACASA-N 1 0 238.266 0.868 20 30 BCEDRO N#Cc1cncnc1NCC12CCC[NH+]1CCC2 ZINC000583496593 355325333 /nfs/dbraw/zinc/32/53/33/355325333.db2.gz AONURFCHLYKPTH-UHFFFAOYSA-N 1 0 243.314 0.810 20 30 BCEDRO C=CCN1CCC([NH2+]CCC(N)=O)CC1 ZINC000584345782 355366407 /nfs/dbraw/zinc/36/64/07/355366407.db2.gz AUWUFQUYNOGCJI-UHFFFAOYSA-N 1 0 211.309 0.102 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](CO)[C@@H]1CCOC1 ZINC000279974665 191598474 /nfs/dbraw/zinc/59/84/74/191598474.db2.gz DVHDTHWPYVFXOC-GHMZBOCLSA-N 1 0 241.335 0.112 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000335833689 355561635 /nfs/dbraw/zinc/56/16/35/355561635.db2.gz FLWMESHRABTCPI-KOLCDFICSA-N 1 0 221.304 0.841 20 30 BCEDRO C[C@H](CCC#N)N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000582184153 355660103 /nfs/dbraw/zinc/66/01/03/355660103.db2.gz OIRCXQYKLWJIBS-NEPJUHHUSA-N 1 0 225.336 0.677 20 30 BCEDRO C=CCOCCC[NH2+]Cc1ncnn1CC ZINC000639317890 355713772 /nfs/dbraw/zinc/71/37/72/355713772.db2.gz WULXQQCEJDYPBR-UHFFFAOYSA-N 1 0 224.308 0.980 20 30 BCEDRO C=CCSCCNC(=O)NC[C@@H]([NH3+])CC ZINC000417342569 191789571 /nfs/dbraw/zinc/78/95/71/191789571.db2.gz MQNYTOABHNLWJL-VIFPVBQESA-N 1 0 231.365 0.942 20 30 BCEDRO Cn1cc(C[N@@H+]2CC[C@@H](CO)C2)cc1C#N ZINC000191297896 355733952 /nfs/dbraw/zinc/73/39/52/355733952.db2.gz FLXIBOHFKUQJQC-SNVBAGLBSA-N 1 0 219.288 0.711 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000352064481 134054966 /nfs/dbraw/zinc/05/49/66/134054966.db2.gz ZAJIKVNBIUXHRV-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@H](O)C1CC1 ZINC000329203737 355904393 /nfs/dbraw/zinc/90/43/93/355904393.db2.gz WLFDIRFSMTVSJW-MNOVXSKESA-N 1 0 241.335 0.355 20 30 BCEDRO C[C@@H](CCC#N)N1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000351435555 355991436 /nfs/dbraw/zinc/99/14/36/355991436.db2.gz YPTMVDRRILVSEA-IVZWLZJFSA-N 1 0 225.292 0.253 20 30 BCEDRO C=CCCOCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417959916 191945799 /nfs/dbraw/zinc/94/57/99/191945799.db2.gz MHRTVFRGXKGAKJ-UWVGGRQHSA-N 1 0 229.324 0.614 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000351268021 355969491 /nfs/dbraw/zinc/96/94/91/355969491.db2.gz JKZXOTDUKKAERK-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000418037873 191956706 /nfs/dbraw/zinc/95/67/06/191956706.db2.gz XWZRZOKIMSQVMH-SNVBAGLBSA-N 1 0 209.293 0.451 20 30 BCEDRO C=C[C@H](CO)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000331129003 356043600 /nfs/dbraw/zinc/04/36/00/356043600.db2.gz FSQMISWUXVURHV-GMTAPVOTSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000351591051 356023602 /nfs/dbraw/zinc/02/36/02/356023602.db2.gz AWRBVCOBCUTPLL-NSHDSACASA-N 1 0 246.314 0.995 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000418027174 191955147 /nfs/dbraw/zinc/95/51/47/191955147.db2.gz ILYFDBMNWYOQCW-QWRGUYRKSA-N 1 0 223.320 0.697 20 30 BCEDRO C[NH+](C)C1(CNc2ncncc2C#N)CCC1 ZINC000384043423 356109348 /nfs/dbraw/zinc/10/93/48/356109348.db2.gz VKLZUYWPHJAQJE-UHFFFAOYSA-N 1 0 231.303 0.666 20 30 BCEDRO [NH3+]CCCNC(=O)NCC#Cc1cccc(F)c1 ZINC000418158387 191990525 /nfs/dbraw/zinc/99/05/25/191990525.db2.gz PROHMONGGTXPMH-UHFFFAOYSA-N 1 0 249.289 0.825 20 30 BCEDRO COCC#CCN1CC[C@H](C)[S@](=O)CC1 ZINC000617565308 356125949 /nfs/dbraw/zinc/12/59/49/356125949.db2.gz AYPPCNZEGARDFE-XHDPSFHLSA-N 1 0 229.345 0.479 20 30 BCEDRO COCC#CCN1CC[C@H](C)[S@@](=O)CC1 ZINC000617565307 356126388 /nfs/dbraw/zinc/12/63/88/356126388.db2.gz AYPPCNZEGARDFE-NHYWBVRUSA-N 1 0 229.345 0.479 20 30 BCEDRO C[C@H]1C[N@H+](CCCSCC#N)C[C@@H]1O ZINC000351806592 356088450 /nfs/dbraw/zinc/08/84/50/356088450.db2.gz FWSKMKZQDBENOJ-UWVGGRQHSA-N 1 0 214.334 0.946 20 30 BCEDRO C=C(C)CC[NH+]1CCN(C(=O)CN(C)C)CC1 ZINC000351842894 356096342 /nfs/dbraw/zinc/09/63/42/356096342.db2.gz AUGHRMQYHLPADJ-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C=C(C)CC[N@@H+]1CCC[C@@H]1CS(N)(=O)=O ZINC000351883276 356127826 /nfs/dbraw/zinc/12/78/26/356127826.db2.gz VDIABPMHCWGWBY-SNVBAGLBSA-N 1 0 232.349 0.706 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418243134 192003809 /nfs/dbraw/zinc/00/38/09/192003809.db2.gz MSQPJPZGVHXMEE-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418255359 192005514 /nfs/dbraw/zinc/00/55/14/192005514.db2.gz BWJDBUJVCYWQRZ-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO C=C(CC)CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418266035 192010015 /nfs/dbraw/zinc/01/00/15/192010015.db2.gz OJDXPMLVKCNTOX-SNVBAGLBSA-N 1 0 227.308 0.322 20 30 BCEDRO Cc1nnccc1NC(=O)N1CCC[N@@H+](C)CC1 ZINC000330100301 356171296 /nfs/dbraw/zinc/17/12/96/356171296.db2.gz DUCVAKSRSYLUHI-UHFFFAOYSA-N 1 0 249.318 0.968 20 30 BCEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000335912659 356135714 /nfs/dbraw/zinc/13/57/14/356135714.db2.gz KUKSGZOULFLQIQ-SNVBAGLBSA-N 1 0 232.349 0.528 20 30 BCEDRO CN1CCO[C@H](C(=O)NC[C@@]2(C)CCOC2)C1 ZINC000329895374 356140601 /nfs/dbraw/zinc/14/06/01/356140601.db2.gz KLJWKBYSFOUPEN-CMPLNLGQSA-N 1 0 242.319 0.700 20 30 BCEDRO C=CCN(C(=O)[C@@H]1CC[N@H+](C)C1)[C@H](C)COC ZINC000617578814 356147741 /nfs/dbraw/zinc/14/77/41/356147741.db2.gz RBGREABWUUCSBU-VXGBXAGGSA-N 1 0 240.347 0.988 20 30 BCEDRO C[C@H]1OCC[C@H]1NC(=O)NCC[NH+]1CCC1 ZINC000330258888 356194715 /nfs/dbraw/zinc/19/47/15/356194715.db2.gz MWGXXOKMYPWMMH-NXEZZACHSA-N 1 0 227.308 0.373 20 30 BCEDRO CC(C)(CC#N)CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418293712 192018524 /nfs/dbraw/zinc/01/85/24/192018524.db2.gz POUXQICTGJTJHF-SNVBAGLBSA-N 1 0 238.335 0.963 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@H]2C[NH2+]C)C1=O ZINC000420289721 192200784 /nfs/dbraw/zinc/20/07/84/192200784.db2.gz KWRGVOYXOXLXSC-RYUDHWBXSA-N 1 0 237.347 0.457 20 30 BCEDRO CCC[C@@H]([NH2+]C(C)C)C(=O)NCC#CCO ZINC000352164892 134090437 /nfs/dbraw/zinc/09/04/37/134090437.db2.gz YOKBCTPWDKFFEU-LLVKDONJSA-N 1 0 226.320 0.265 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617758853 356314721 /nfs/dbraw/zinc/31/47/21/356314721.db2.gz XUKREENGXKRFRD-ZYHUDNBSSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@@H](C)[NH2+][C@H](C)C2)C1=O ZINC000420289138 192201912 /nfs/dbraw/zinc/20/19/12/192201912.db2.gz HRNHGWRYQGTBSF-UTUOFQBUSA-N 1 0 237.347 0.456 20 30 BCEDRO C=CCN1CC[C@H](N2CC[NH2+][C@@H](C)[C@H]2C)C1=O ZINC000420310572 192210309 /nfs/dbraw/zinc/21/03/09/192210309.db2.gz MJMDWFAWWIPCQW-TUAOUCFPSA-N 1 0 237.347 0.456 20 30 BCEDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)N(C)CC#N ZINC000336430326 356369042 /nfs/dbraw/zinc/36/90/42/356369042.db2.gz PNXYGUOHSRJNAP-UWVGGRQHSA-N 1 0 209.293 0.841 20 30 BCEDRO C=CCN1CC[C@@H](N(C2CC2)[C@H]2CC[NH2+]C2)C1=O ZINC000420308102 192211705 /nfs/dbraw/zinc/21/17/05/192211705.db2.gz CKEWKDKRNZXQIV-QWHCGFSZSA-N 1 0 249.358 0.600 20 30 BCEDRO C=CCN1CC[C@@H](N(C)C2CC([NH3+])C2)C1=O ZINC000420323768 192228087 /nfs/dbraw/zinc/22/80/87/192228087.db2.gz BLHACDOAZPRWKZ-VQXHTEKXSA-N 1 0 223.320 0.195 20 30 BCEDRO C=CCN1CC[C@@H](N(C)CCC[NH2+]C)C1=O ZINC000420388545 192235624 /nfs/dbraw/zinc/23/56/24/192235624.db2.gz LGCAREUNAPVFJL-LLVKDONJSA-N 1 0 225.336 0.315 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC000420392697 192236432 /nfs/dbraw/zinc/23/64/32/192236432.db2.gz JEHJVUZFNWVCNA-XQQFMLRXSA-N 1 0 249.358 0.600 20 30 BCEDRO C=CCN1CC[C@@H](N2C[C@H]3CCC[C@@H](C2)[NH2+]3)C1=O ZINC000420392696 192237222 /nfs/dbraw/zinc/23/72/22/192237222.db2.gz JEHJVUZFNWVCNA-FRRDWIJNSA-N 1 0 249.358 0.600 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC([NH2+]C)CC1 ZINC000237059800 363464995 /nfs/dbraw/zinc/46/49/95/363464995.db2.gz WWQCSZHFUZZVNS-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCCS(=O)(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420772753 192259406 /nfs/dbraw/zinc/25/94/06/192259406.db2.gz VDHHOBUEUWVMKW-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C[C@H]1CO[C@@H](CO)CN1CC1(CC#N)CC1 ZINC000088092325 356494286 /nfs/dbraw/zinc/49/42/86/356494286.db2.gz VWFDGSLQRZMVKN-WDEREUQCSA-N 1 0 224.304 0.762 20 30 BCEDRO C[NH+](C)CCCCC(=O)N1CCOC[C@H]1C#N ZINC000578106881 366253618 /nfs/dbraw/zinc/25/36/18/366253618.db2.gz JHBFKYZIVACGMN-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO CC[C@@H]1CN(CC(=O)NCC#N)C[C@H](CC)O1 ZINC000420957184 192280530 /nfs/dbraw/zinc/28/05/30/192280530.db2.gz OBYBXANSAHYYEI-PHIMTYICSA-N 1 0 239.319 0.516 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](O)CC1(O)CCOCC1 ZINC000639609766 356527959 /nfs/dbraw/zinc/52/79/59/356527959.db2.gz STNWPPPVJFIIAN-GFCCVEGCSA-N 1 0 243.347 0.787 20 30 BCEDRO C=CCCC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639730369 356624283 /nfs/dbraw/zinc/62/42/83/356624283.db2.gz JKGRLOBQPQOIAK-UHFFFAOYSA-N 1 0 221.308 0.893 20 30 BCEDRO C=C(C)C[N@H+](CC)C[C@@H](O)COCCOC ZINC000450243628 202106335 /nfs/dbraw/zinc/10/63/35/202106335.db2.gz LOFAHEXVHFPLPD-GFCCVEGCSA-N 1 0 231.336 0.908 20 30 BCEDRO CC(C)[N@H+](CC(N)=O)CC1(CC#N)CC1 ZINC000088259399 356647482 /nfs/dbraw/zinc/64/74/82/356647482.db2.gz ZZEXXKQNDUXNBD-UHFFFAOYSA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000352581034 134149073 /nfs/dbraw/zinc/14/90/73/134149073.db2.gz QRBGQWCDMAKAOV-NWDGAFQWSA-N 1 0 238.331 0.742 20 30 BCEDRO N#Cc1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nc1 ZINC000088287445 356655546 /nfs/dbraw/zinc/65/55/46/356655546.db2.gz ACXVOBAJHQPKCG-GHMZBOCLSA-N 1 0 214.272 0.609 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)C[C@@H](C)OC ZINC000353199204 134162458 /nfs/dbraw/zinc/16/24/58/134162458.db2.gz BSYXGLOZRNXNRL-LLVKDONJSA-N 1 0 241.335 0.715 20 30 BCEDRO C=CCOCC(=O)NCC(C)(C)C[NH+](C)C ZINC000354311654 134167666 /nfs/dbraw/zinc/16/76/66/134167666.db2.gz NANJCPDLVFYMPU-UHFFFAOYSA-N 1 0 228.336 0.893 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000639783109 356732962 /nfs/dbraw/zinc/73/29/62/356732962.db2.gz RQHLPSYKFUMRLU-SDDRHHMPSA-N 1 0 229.320 0.131 20 30 BCEDRO CN(C)C(=O)NCC[N@H+](C)CCCCC#N ZINC000355034806 134171720 /nfs/dbraw/zinc/17/17/20/134171720.db2.gz SPDZVXBRNHAZLA-UHFFFAOYSA-N 1 0 226.324 0.883 20 30 BCEDRO C=CCCS(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000355327545 134172834 /nfs/dbraw/zinc/17/28/34/134172834.db2.gz RCKRTRCBTHZIBI-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCCC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000639862643 356871259 /nfs/dbraw/zinc/87/12/59/356871259.db2.gz XMEFTJGCVAGKJI-LBPRGKRZSA-N 1 0 236.319 0.945 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000155356683 538710200 /nfs/dbraw/zinc/71/02/00/538710200.db2.gz LDDGVWWXEOQOFQ-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO C[C@H](C#N)C(=O)N(CC[NH+](C)C)C1CC1 ZINC000356290743 134177798 /nfs/dbraw/zinc/17/77/98/134177798.db2.gz DFBGQUPKFZDRFB-SECBINFHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H](O)C[C@@]1(C)CO ZINC000639850929 356854383 /nfs/dbraw/zinc/85/43/83/356854383.db2.gz XWPNBXSHJUTSOY-QWRGUYRKSA-N 1 0 215.293 0.007 20 30 BCEDRO C=CCOCC[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639850927 356854585 /nfs/dbraw/zinc/85/45/85/356854585.db2.gz XWPNBXSHJUTSOY-MNOVXSKESA-N 1 0 215.293 0.007 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356826547 134179576 /nfs/dbraw/zinc/17/95/76/134179576.db2.gz BRDVMEGGEWHQAR-WRWGMCAJSA-N 1 0 240.347 0.911 20 30 BCEDRO C[C@H](C1CCC1)[N@H+](C)CC(=O)NCC#N ZINC000357028932 134181591 /nfs/dbraw/zinc/18/15/91/134181591.db2.gz CMRVALBZGFFUEA-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)CC#N ZINC000356997987 134181794 /nfs/dbraw/zinc/18/17/94/134181794.db2.gz KCNSWKPNCPROKI-SNVBAGLBSA-N 1 0 227.308 0.373 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1[C@@H](C)CC[NH2+][C@H]1C ZINC000357313414 134182744 /nfs/dbraw/zinc/18/27/44/134182744.db2.gz XIWYMYJZWYQELX-JBLDHEPKSA-N 1 0 226.320 0.692 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@H](O)C1 ZINC000114470637 134182865 /nfs/dbraw/zinc/18/28/65/134182865.db2.gz ATQASYILKRPARR-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369676433 356991900 /nfs/dbraw/zinc/99/19/00/356991900.db2.gz PJWDUFINFFDWKW-SDDRHHMPSA-N 1 0 238.331 0.788 20 30 BCEDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000358210811 134187076 /nfs/dbraw/zinc/18/70/76/134187076.db2.gz POFOVIUPXMVSEK-GHMZBOCLSA-N 1 0 239.319 0.252 20 30 BCEDRO C=CCCS(=O)(=O)NCC1=CC[NH2+]CC1 ZINC000193387880 357013918 /nfs/dbraw/zinc/01/39/18/357013918.db2.gz JCRQGGKYCSEUHT-UHFFFAOYSA-N 1 0 230.333 0.402 20 30 BCEDRO C=CCCCNc1cc[nH+]cc1C(N)=O ZINC000389972209 357076144 /nfs/dbraw/zinc/07/61/44/357076144.db2.gz CMGJGABLPRWXMZ-UHFFFAOYSA-N 1 0 205.261 0.981 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1C[C@@H](C)[NH+](C)[C@H](C)C1 ZINC000358655601 134192236 /nfs/dbraw/zinc/19/22/36/134192236.db2.gz ADDRAOIPNCSMMI-WZRBSPASSA-N 1 0 240.347 0.865 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000131125371 325120341 /nfs/dbraw/zinc/12/03/41/325120341.db2.gz DBNSYCYUIHKJRD-SDDRHHMPSA-N 1 0 240.347 0.947 20 30 BCEDRO Cc1nc2n(n1)C[C@@H]([NH2+]CCC#N)CC2 ZINC000393620791 357289816 /nfs/dbraw/zinc/28/98/16/357289816.db2.gz PQYCIFHMSZIALT-VIFPVBQESA-N 1 0 205.265 0.405 20 30 BCEDRO Cc1nc2n(n1)C[C@H]([NH2+]CCC#N)CC2 ZINC000393620790 357290443 /nfs/dbraw/zinc/29/04/43/357290443.db2.gz PQYCIFHMSZIALT-SECBINFHSA-N 1 0 205.265 0.405 20 30 BCEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000393846080 357303302 /nfs/dbraw/zinc/30/33/02/357303302.db2.gz LGFAEGZWZRETKF-QWHCGFSZSA-N 1 0 242.363 0.624 20 30 BCEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000393846081 357303374 /nfs/dbraw/zinc/30/33/74/357303374.db2.gz LGFAEGZWZRETKF-STQMWFEESA-N 1 0 242.363 0.624 20 30 BCEDRO CN(C)C(=O)C(C)(C)[NH2+]CCOCCC#N ZINC000393215434 357279456 /nfs/dbraw/zinc/27/94/56/357279456.db2.gz LQKFBYWDAYRPHI-UHFFFAOYSA-N 1 0 227.308 0.373 20 30 BCEDRO N#CCCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000582726010 357373262 /nfs/dbraw/zinc/37/32/62/357373262.db2.gz JIOMOIKMBSAAIU-UHFFFAOYSA-N 1 0 240.270 0.994 20 30 BCEDRO CSCCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000582781286 357391196 /nfs/dbraw/zinc/39/11/96/357391196.db2.gz XPAAOUBFBNYSAK-NSHDSACASA-N 1 0 245.392 0.535 20 30 BCEDRO C=C(CC)C[N@H+](CCO)CCN1CCOCC1 ZINC000358497500 538843507 /nfs/dbraw/zinc/84/35/07/538843507.db2.gz XLSJMRJVUXINEZ-UHFFFAOYSA-N 1 0 242.363 0.579 20 30 BCEDRO N#CCC1CC[NH+](CC2(CO)COC2)CC1 ZINC000397149446 357505148 /nfs/dbraw/zinc/50/51/48/357505148.db2.gz HYBUHPFMPPZIMJ-UHFFFAOYSA-N 1 0 224.304 0.621 20 30 BCEDRO COC[C@@H](O)C[NH+]1CCC(CC#N)CC1 ZINC000397207324 357506800 /nfs/dbraw/zinc/50/68/00/357506800.db2.gz UUHLGLAKAKPWJP-NSHDSACASA-N 1 0 212.293 0.619 20 30 BCEDRO C[C@H](CC#N)[N@H+](C)CC[C@H]1CCNC1=O ZINC000395868347 357458357 /nfs/dbraw/zinc/45/83/57/357458357.db2.gz WUDCTMSGOCTRAI-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO CCN(CC#N)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362616206 134213260 /nfs/dbraw/zinc/21/32/60/134213260.db2.gz KGWITAWWYPDFJN-UWVGGRQHSA-N 1 0 209.293 0.556 20 30 BCEDRO CC(C)(C#N)CCCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232530404 357664347 /nfs/dbraw/zinc/66/43/47/357664347.db2.gz RHRQPHRNRWAWML-QWRGUYRKSA-N 1 0 226.320 0.744 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@@H]21 ZINC000362457617 134211265 /nfs/dbraw/zinc/21/12/65/134211265.db2.gz ZWPKGTHQRRMVII-MNOVXSKESA-N 1 0 237.303 0.127 20 30 BCEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C#N ZINC000340435298 535362132 /nfs/dbraw/zinc/36/21/32/535362132.db2.gz QBOCHYVZTLMPQZ-VHSXEESVSA-N 1 0 209.293 0.889 20 30 BCEDRO CCN1CCCN(CCCC#N)CC1=O ZINC000190163120 357689653 /nfs/dbraw/zinc/68/96/53/357689653.db2.gz YHCFPTGHIPVARE-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO C#CC[C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000367409610 134215489 /nfs/dbraw/zinc/21/54/89/134215489.db2.gz HPAVMUQRFNFFDL-LLVKDONJSA-N 1 0 235.331 0.888 20 30 BCEDRO C[C@@H](O)C[N@H+](CCCC#N)[C@@H](C)CO ZINC000190903264 357732810 /nfs/dbraw/zinc/73/28/10/357732810.db2.gz IIJMZDDQUPKEJY-VHSXEESVSA-N 1 0 200.282 0.354 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000369810425 134223339 /nfs/dbraw/zinc/22/33/39/134223339.db2.gz KTOFYKXLYYJTJH-LBPRGKRZSA-N 1 0 210.321 0.969 20 30 BCEDRO C=CCCS(=O)(=O)NCC[NH+]1CCCC1 ZINC000191855427 357809832 /nfs/dbraw/zinc/80/98/32/357809832.db2.gz ZZMSMCHNFWEHGY-UHFFFAOYSA-N 1 0 232.349 0.578 20 30 BCEDRO C#CC[N@@H+]1C[C@@]2(CCOC2)OC(C)(C)C1 ZINC000369865949 134223493 /nfs/dbraw/zinc/22/34/93/134223493.db2.gz WFSSYFWSZBKZAQ-GFCCVEGCSA-N 1 0 209.289 0.890 20 30 BCEDRO C=CCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000119383992 134226314 /nfs/dbraw/zinc/22/63/14/134226314.db2.gz XRTRJNFGSOEISX-UHFFFAOYSA-N 1 0 223.320 0.910 20 30 BCEDRO N#CCCCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000371830499 134229494 /nfs/dbraw/zinc/22/94/94/134229494.db2.gz ZSJRNPJYEDGTHO-GFCCVEGCSA-N 1 0 223.320 0.697 20 30 BCEDRO COC[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000610432338 357925176 /nfs/dbraw/zinc/92/51/76/357925176.db2.gz RVXXCTWUGVDVGO-LLVKDONJSA-N 1 0 211.309 0.553 20 30 BCEDRO N#CCCC1CC[NH+]([C@@H]2COC[C@H]2O)CC1 ZINC000399330825 357902897 /nfs/dbraw/zinc/90/28/97/357902897.db2.gz AZMZSXFCAOAGST-VXGBXAGGSA-N 1 0 224.304 0.762 20 30 BCEDRO CNC(=O)C[NH+]1CCC(CCC#N)CC1 ZINC000399340726 357904026 /nfs/dbraw/zinc/90/40/26/357904026.db2.gz HPKOBTIXEWFZAQ-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@H](F)CCN1CCN(C(=O)CC#N)CC1 ZINC000584418971 357916704 /nfs/dbraw/zinc/91/67/04/357916704.db2.gz QPDUFOXSLSWCCD-JTQLQIEISA-N 1 0 227.283 0.792 20 30 BCEDRO C#CC[N@H+]1CCC[C@](COC)(C(=O)OCC)C1 ZINC000374171549 134236031 /nfs/dbraw/zinc/23/60/31/134236031.db2.gz JBVDBQKEJJHPEL-ZDUSSCGKSA-N 1 0 239.315 0.911 20 30 BCEDRO CC(C)(CO)[NH+]1CCN(CCCC#N)CC1 ZINC000610481130 357950992 /nfs/dbraw/zinc/95/09/92/357950992.db2.gz JDUGTDWXWWEVHU-UHFFFAOYSA-N 1 0 225.336 0.679 20 30 BCEDRO C=CC[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639946004 357967959 /nfs/dbraw/zinc/96/79/59/357967959.db2.gz OLJUELKSOSHRTM-QWRGUYRKSA-N 1 0 208.261 0.157 20 30 BCEDRO C=CCCC[N@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639954516 357972724 /nfs/dbraw/zinc/97/27/24/357972724.db2.gz SYKVLPHLYHMNRW-BETUJISGSA-N 1 0 236.315 0.937 20 30 BCEDRO CCC#C[C@H](C)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639950345 357972760 /nfs/dbraw/zinc/97/27/60/357972760.db2.gz SAIPSURELTYMTF-ZLKJLUDKSA-N 1 0 248.326 0.773 20 30 BCEDRO COCCN(CCC#N)C(=O)[C@H]1CCC[N@@H+]1C ZINC000610556185 357977421 /nfs/dbraw/zinc/97/74/21/357977421.db2.gz UQWVBQFLKIVDLM-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)[C@H](C)[NH+](C)C ZINC000610541564 357978813 /nfs/dbraw/zinc/97/88/13/357978813.db2.gz HYTULMPGSDEVTE-ZJUUUORDSA-N 1 0 211.309 0.945 20 30 BCEDRO COC1CC[NH+](CCNC(=O)[C@H](C)C#N)CC1 ZINC000610573022 357999355 /nfs/dbraw/zinc/99/93/55/357999355.db2.gz KXSLLFHVTFUDKH-SNVBAGLBSA-N 1 0 239.319 0.373 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)[C@@H](C)CO ZINC000305431472 134241505 /nfs/dbraw/zinc/24/15/05/134241505.db2.gz FDNRNIYWUAHMQV-QWRGUYRKSA-N 1 0 241.335 0.307 20 30 BCEDRO C=CCCC[N@@H+]1CCN2C(=O)N(C)C(=O)[C@H]2C1 ZINC000375874836 134240961 /nfs/dbraw/zinc/24/09/61/134240961.db2.gz RWLTVSZOGNLPJT-SNVBAGLBSA-N 1 0 237.303 0.531 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377724715 134244779 /nfs/dbraw/zinc/24/47/79/134244779.db2.gz PJVAXLQJIWFBJU-IJLUTSLNSA-N 1 0 220.316 0.999 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000377728672 134244841 /nfs/dbraw/zinc/24/48/41/134244841.db2.gz XZJSUWFMYWEDTK-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO CC(C)(C#N)CCCn1nnnc1C[NH3+] ZINC000584527812 358041361 /nfs/dbraw/zinc/04/13/61/358041361.db2.gz IOQJADLIPCQTNE-UHFFFAOYSA-N 1 0 208.269 0.462 20 30 BCEDRO C=CCOCC[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000640005824 358057754 /nfs/dbraw/zinc/05/77/54/358057754.db2.gz SPHKGOBEIRGELM-VXGBXAGGSA-N 1 0 229.320 0.661 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCCc1nc(C)no1 ZINC000264326068 535388650 /nfs/dbraw/zinc/38/86/50/535388650.db2.gz YTOZRFRQXUOHFH-UHFFFAOYSA-N 1 0 239.323 0.967 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000051895484 358090873 /nfs/dbraw/zinc/09/08/73/358090873.db2.gz VULGVYAYKSQXCL-LLVKDONJSA-N 1 0 226.320 0.383 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](O)COCC ZINC000583872178 358081933 /nfs/dbraw/zinc/08/19/33/358081933.db2.gz RRBJTMKMKIEATE-QWRGUYRKSA-N 1 0 217.309 0.158 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@H](C)C1 ZINC000170767230 134252885 /nfs/dbraw/zinc/25/28/85/134252885.db2.gz XKDVSEWMGPJAGU-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](O)(CC)C1 ZINC000640031292 358123385 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359402005 /nfs/dbraw/zinc/40/20/05/359402005.db2.gz AKPXMNWGFPRMLW-UWVGGRQHSA-N 1 0 224.308 0.539 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+](CC)CCC ZINC000611802572 359450766 /nfs/dbraw/zinc/45/07/66/359450766.db2.gz LBXUXQPNMDCFPL-LBPRGKRZSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000611923336 359483602 /nfs/dbraw/zinc/48/36/02/359483602.db2.gz AJKRPVXLHJOGJU-GXSJLCMTSA-N 1 0 244.360 0.087 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000611923338 359484088 /nfs/dbraw/zinc/48/40/88/359484088.db2.gz AJKRPVXLHJOGJU-MWLCHTKSSA-N 1 0 244.360 0.087 20 30 BCEDRO Cc1ccncc1[C@@H](C)[NH2+]CC(=O)NCC#N ZINC000611938954 359484920 /nfs/dbraw/zinc/48/49/20/359484920.db2.gz CZILYBIELMJIJK-SNVBAGLBSA-N 1 0 232.287 0.680 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000424061906 192858124 /nfs/dbraw/zinc/85/81/24/192858124.db2.gz ULSQYOWNYLGECH-UTUOFQBUSA-N 1 0 238.331 0.917 20 30 BCEDRO C=C(Cl)CN1CCO[C@@H]([C@H](C)[NH3+])C1 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ZINC000087750032 359925425 /nfs/dbraw/zinc/92/54/25/359925425.db2.gz DQISMDVRQYQORM-UHFFFAOYSA-N 1 0 237.299 0.694 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@]1(CC)CCOC1 ZINC000309192466 491146137 /nfs/dbraw/zinc/14/61/37/491146137.db2.gz PWMCABYIYKGMJN-NSHDSACASA-N 1 0 212.293 0.447 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)C(C)(C)CO)CC1 ZINC000578763173 366641783 /nfs/dbraw/zinc/64/17/83/366641783.db2.gz OHHUDHMEAZDJTP-UHFFFAOYSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000612692685 360005468 /nfs/dbraw/zinc/00/54/68/360005468.db2.gz CBHFZHXTUNUIHW-PELKAZGASA-N 1 0 235.287 0.320 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000612950951 360205524 /nfs/dbraw/zinc/20/55/24/360205524.db2.gz ABGSJYYJWURKCQ-NXEZZACHSA-N 1 0 212.293 0.086 20 30 BCEDRO C[C@@H](CO)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000092807395 360201561 /nfs/dbraw/zinc/20/15/61/360201561.db2.gz MLLCALFDYHHGJI-JTQLQIEISA-N 1 0 227.308 0.061 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614033623 363710226 /nfs/dbraw/zinc/71/02/26/363710226.db2.gz NWNXZEPYKVDPPS-NSHDSACASA-N 1 0 224.304 0.088 20 30 BCEDRO C=C[C@H](O)C(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000614079145 363719135 /nfs/dbraw/zinc/71/91/35/363719135.db2.gz VLPFVTOWPIVKKT-LBPRGKRZSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000613149027 360448647 /nfs/dbraw/zinc/44/86/47/360448647.db2.gz OTEUKPUENIHHJA-DCAQKATOSA-N 1 0 226.320 0.474 20 30 BCEDRO C=CCC(C)(C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629168676 360917973 /nfs/dbraw/zinc/91/79/73/360917973.db2.gz LWNXWMQTBVPYGP-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCOCC[NH2+]CC1(OC)CCOCC1 ZINC000309635310 491153250 /nfs/dbraw/zinc/15/32/50/491153250.db2.gz JDPZLZFAEGAHBC-UHFFFAOYSA-N 1 0 229.320 0.974 20 30 BCEDRO C=CCCOCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417968035 200824330 /nfs/dbraw/zinc/82/43/30/200824330.db2.gz WAMIOSKKPJEPTI-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CC[NH2+]C1 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C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C[NH3+])C(C)C ZINC000424207170 200888335 /nfs/dbraw/zinc/88/83/35/200888335.db2.gz IOTRVXPNUMXDMK-SRVKXCTJSA-N 1 0 240.347 0.925 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CCC[C@@H]2[NH3+])nn1 ZINC000424369510 200922963 /nfs/dbraw/zinc/92/29/63/200922963.db2.gz CMQLFYAGQOSVGB-WDEREUQCSA-N 1 0 221.308 0.434 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424472976 200929319 /nfs/dbraw/zinc/92/93/19/200929319.db2.gz GKKHGMHRYFXXGT-LPEHRKFASA-N 1 0 224.308 0.573 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000138798718 361164742 /nfs/dbraw/zinc/16/47/42/361164742.db2.gz CZESABBQKXZMQW-LLVKDONJSA-N 1 0 238.331 0.932 20 30 BCEDRO CC#CCC[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000158723970 361209382 /nfs/dbraw/zinc/20/93/82/361209382.db2.gz LFUNQCJWOZWFRT-LLVKDONJSA-N 1 0 211.305 0.872 20 30 BCEDRO C=CCN(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000428285907 201006390 /nfs/dbraw/zinc/00/63/90/201006390.db2.gz IJKWSXFSWZTZIR-LLVKDONJSA-N 1 0 223.320 0.021 20 30 BCEDRO C=CCN(C)C(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000428285908 201005273 /nfs/dbraw/zinc/00/52/73/201005273.db2.gz IJKWSXFSWZTZIR-NSHDSACASA-N 1 0 223.320 0.021 20 30 BCEDRO C=CCC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428780722 201040748 /nfs/dbraw/zinc/04/07/48/201040748.db2.gz IGCFFKHHQBRWSD-JTQLQIEISA-N 1 0 232.349 0.528 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000428788392 201041510 /nfs/dbraw/zinc/04/15/10/201041510.db2.gz ZQPXQEFBQGZXTJ-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC12CCC[NH+]1CCC2 ZINC000614228689 363764935 /nfs/dbraw/zinc/76/49/35/363764935.db2.gz PABXPVPSZLDQBG-LBPRGKRZSA-N 1 0 238.331 0.668 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC12CCC[NH+]1CCC2 ZINC000614228688 363765073 /nfs/dbraw/zinc/76/50/73/363765073.db2.gz PABXPVPSZLDQBG-GFCCVEGCSA-N 1 0 238.331 0.668 20 30 BCEDRO C=CCNC(=O)c1nnn(C2CC[NH2+]CC2)c1C ZINC000429592338 201120285 /nfs/dbraw/zinc/12/02/85/201120285.db2.gz LGWANWCIGYQBDU-UHFFFAOYSA-N 1 0 249.318 0.427 20 30 BCEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000181287795 366801088 /nfs/dbraw/zinc/80/10/88/366801088.db2.gz BDLLLOKXSMXRBH-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1CCO ZINC000429770341 201131421 /nfs/dbraw/zinc/13/14/21/201131421.db2.gz UFHORBWMKXSBPS-SRVKXCTJSA-N 1 0 240.347 0.818 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)COCC ZINC000579465097 366815094 /nfs/dbraw/zinc/81/50/94/366815094.db2.gz JTGDWSNZXWQHQP-AXFHLTTASA-N 1 0 215.293 0.317 20 30 BCEDRO C=CCCS(=O)(=O)NCCCC[NH3+] ZINC000194745326 361477380 /nfs/dbraw/zinc/47/73/80/361477380.db2.gz JLMNSIFGWCHLOF-UHFFFAOYSA-N 1 0 206.311 0.221 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000430248499 201156244 /nfs/dbraw/zinc/15/62/44/201156244.db2.gz JSPOAHKBLNGBIJ-WCQYABFASA-N 1 0 240.347 0.772 20 30 BCEDRO CC[NH+](CC)CCNC(=O)[C@]1(C#N)C[C@H]1C ZINC000448553178 201255578 /nfs/dbraw/zinc/25/55/78/201255578.db2.gz AULQLVMQHWJBGP-PWSUYJOCSA-N 1 0 223.320 0.994 20 30 BCEDRO CC[NH+](CC)CCNC(=O)[C@]1(C#N)C[C@@H]1C ZINC000448553177 201255639 /nfs/dbraw/zinc/25/56/39/201255639.db2.gz AULQLVMQHWJBGP-JQWIXIFHSA-N 1 0 223.320 0.994 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000435419970 201269236 /nfs/dbraw/zinc/26/92/36/201269236.db2.gz AAZIBDACGLUIJZ-LLVKDONJSA-N 1 0 246.376 0.776 20 30 BCEDRO C=C(C)CS(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000435427993 201269897 /nfs/dbraw/zinc/26/98/97/201269897.db2.gz OJCOGLMCMMCPRN-SNVBAGLBSA-N 1 0 246.376 0.965 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000435438371 201272093 /nfs/dbraw/zinc/27/20/93/201272093.db2.gz PGKXJKFXYNGICR-GHMZBOCLSA-N 1 0 246.376 0.965 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[N@@H+](CC)C1CC1 ZINC000435432616 201272123 /nfs/dbraw/zinc/27/21/23/201272123.db2.gz JRHMCQAJCWIVTC-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C[C@H](O)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000614398025 363805175 /nfs/dbraw/zinc/80/51/75/363805175.db2.gz BPYQLQNLEKKUAO-VIFPVBQESA-N 1 0 212.293 0.134 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)NCc1ccc(C#N)cc1 ZINC000417730731 219920834 /nfs/dbraw/zinc/92/08/34/219920834.db2.gz VEXZDWSFLLPBFR-SNVBAGLBSA-N 1 0 246.314 0.952 20 30 BCEDRO C=CCN(C(=O)N[C@@H]1CC[NH2+]C1)[C@H](C)COC ZINC000627252661 363879725 /nfs/dbraw/zinc/87/97/25/363879725.db2.gz BXOOXPMBLDVIFC-GHMZBOCLSA-N 1 0 241.335 0.581 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000614722927 363939527 /nfs/dbraw/zinc/93/95/27/363939527.db2.gz ADPDCFXFIWEJMM-SRVKXCTJSA-N 1 0 238.331 0.619 20 30 BCEDRO C[C@@H]1OCC[C@@H]1NC(=O)NCC[NH+]1CCC1 ZINC000328948211 541329018 /nfs/dbraw/zinc/32/90/18/541329018.db2.gz MWGXXOKMYPWMMH-UWVGGRQHSA-N 1 0 227.308 0.373 20 30 BCEDRO C=C[C@@](C)(CC)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614850659 364001729 /nfs/dbraw/zinc/00/17/29/364001729.db2.gz AKZQHDJXRAFOHO-JQWIXIFHSA-N 1 0 228.336 0.627 20 30 BCEDRO CC[NH+](CC)CC(=O)N[C@@]1(C#N)CCSC1 ZINC000068080720 370743059 /nfs/dbraw/zinc/74/30/59/370743059.db2.gz KJMAWKNRAXZSKR-LLVKDONJSA-N 1 0 241.360 0.844 20 30 BCEDRO N#Cc1ccc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc1N ZINC000600884931 364238743 /nfs/dbraw/zinc/23/87/43/364238743.db2.gz GPEXHCQPTIKBDI-IUCAKERBSA-N 1 0 215.260 0.086 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000614980663 364270461 /nfs/dbraw/zinc/27/04/61/364270461.db2.gz DOBXDKYTJOVPAT-UWVGGRQHSA-N 1 0 214.309 0.378 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H](C)OC ZINC000134402579 364403126 /nfs/dbraw/zinc/40/31/26/364403126.db2.gz RJUOUIVYHNRTOK-RKDXNWHRSA-N 1 0 200.282 0.302 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]C[C@H](O)CN(C)C ZINC000134919638 364418927 /nfs/dbraw/zinc/41/89/27/364418927.db2.gz MSYBUCUGMLHUSQ-MNOVXSKESA-N 1 0 200.326 0.853 20 30 BCEDRO C[NH+](C)[C@H]1CN(Cc2ccc(C#N)cn2)C[C@@H]1O ZINC000579490447 366830999 /nfs/dbraw/zinc/83/09/99/366830999.db2.gz XTINGAHUDZFJIF-STQMWFEESA-N 1 0 246.314 0.060 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615318902 364689608 /nfs/dbraw/zinc/68/96/08/364689608.db2.gz MNRLTTUVHICNED-NHCYSSNCSA-N 1 0 226.320 0.474 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000615303689 364681884 /nfs/dbraw/zinc/68/18/84/364681884.db2.gz UTVCKCFQRYPGFJ-GUBZILKMSA-N 1 0 212.293 0.084 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC000248344552 364629576 /nfs/dbraw/zinc/62/95/76/364629576.db2.gz LTCGOZUYPJTOFD-ONGXEEELSA-N 1 0 212.293 0.134 20 30 BCEDRO C#C[C@H](C)[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000289068323 364716899 /nfs/dbraw/zinc/71/68/99/364716899.db2.gz ACZMNWZUXJGUHF-JTQLQIEISA-N 1 0 224.304 0.235 20 30 BCEDRO CN(C)C(=O)C(C)(C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000573387115 364821382 /nfs/dbraw/zinc/82/13/82/364821382.db2.gz DSVALXRNYSMJSQ-UHFFFAOYSA-N 1 0 248.330 0.853 20 30 BCEDRO N#Cc1ncc(OCC2CC[NH2+]CC2)cn1 ZINC000573483860 364844149 /nfs/dbraw/zinc/84/41/49/364844149.db2.gz AMNTZOPOAICLGN-UHFFFAOYSA-N 1 0 218.260 0.727 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCCS(=O)(=O)NC ZINC000573621664 364876902 /nfs/dbraw/zinc/87/69/02/364876902.db2.gz HAGPPPMVSTUINB-VIFPVBQESA-N 1 0 233.337 0.208 20 30 BCEDRO N#Cc1nccc(NC2CC[NH+](C3CC3)CC2)n1 ZINC000574099182 364987586 /nfs/dbraw/zinc/98/75/86/364987586.db2.gz CAUWJFQMESONSG-UHFFFAOYSA-N 1 0 243.314 0.809 20 30 BCEDRO Cc1nc(C(=O)N[C@H]2CCC[NH2+]C2)ccc1C#N ZINC000574461180 365068103 /nfs/dbraw/zinc/06/81/03/365068103.db2.gz FYCBSWMSGLUYGT-NSHDSACASA-N 1 0 244.298 0.744 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CC=CCC1 ZINC000574271616 365023764 /nfs/dbraw/zinc/02/37/64/365023764.db2.gz VWZIDHWFAUWLBI-STQMWFEESA-N 1 0 237.347 0.891 20 30 BCEDRO C[N@H+](C[C@H](O)CNCC1(C#N)CCC1)C1CC1 ZINC000574869725 365162276 /nfs/dbraw/zinc/16/22/76/365162276.db2.gz ZSDMZHUQRHWOHB-GFCCVEGCSA-N 1 0 237.347 0.725 20 30 BCEDRO CC#CCN1CCN(Cc2nc(C)no2)CC1 ZINC000157962096 193044427 /nfs/dbraw/zinc/04/44/27/193044427.db2.gz IZCINDGAGCQMLK-UHFFFAOYSA-N 1 0 234.303 0.519 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCN1CCO[C@H](C)C1 ZINC000575759416 365355965 /nfs/dbraw/zinc/35/59/65/365355965.db2.gz SUVWGVMLCPQMMT-NEPJUHHUSA-N 1 0 225.336 0.989 20 30 BCEDRO CCCN(CC#N)C[C@@H](O)C[N@H+](C)CC ZINC000379884692 365336932 /nfs/dbraw/zinc/33/69/32/365336932.db2.gz XOSBYGVZSSDUII-NSHDSACASA-N 1 0 213.325 0.535 20 30 BCEDRO CCCN(CC#N)C[C@H](O)C[N@H+](C)CC ZINC000379884691 365337052 /nfs/dbraw/zinc/33/70/52/365337052.db2.gz XOSBYGVZSSDUII-LLVKDONJSA-N 1 0 213.325 0.535 20 30 BCEDRO C=CCCOCCNC(=O)N(C)CCC[NH3+] ZINC000575853240 365383426 /nfs/dbraw/zinc/38/34/26/365383426.db2.gz MTNGSJLSSRYGML-UHFFFAOYSA-N 1 0 229.324 0.569 20 30 BCEDRO C=CCOCC(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000575815528 365373558 /nfs/dbraw/zinc/37/35/58/365373558.db2.gz XBQXUYBYIXKBRU-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO CCC[N@H+](CCOCCC#N)CC(=O)NC ZINC000338919244 365441775 /nfs/dbraw/zinc/44/17/75/365441775.db2.gz DVYXCMZPUAENKE-UHFFFAOYSA-N 1 0 227.308 0.375 20 30 BCEDRO CO[C@@H]1C[N@H+](CCOCCC#N)C[C@@H]1OC ZINC000339131589 365449625 /nfs/dbraw/zinc/44/96/25/365449625.db2.gz CUUMPYQGIJLTBA-PHIMTYICSA-N 1 0 228.292 0.262 20 30 BCEDRO C[C@H]1CC[N@H+](CCOCCC#N)[C@@H]1CO ZINC000339113352 365450849 /nfs/dbraw/zinc/45/08/49/365450849.db2.gz CBQRTEZJRFCNBK-WDEREUQCSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](C#N)CCC#N ZINC000576040805 365459677 /nfs/dbraw/zinc/45/96/77/365459677.db2.gz ULIHUZFHJSAFFW-MNOVXSKESA-N 1 0 207.277 0.957 20 30 BCEDRO N#CC1(CNC(=O)N2CCCC[C@H]2C[NH3+])CC1 ZINC000576212166 365523157 /nfs/dbraw/zinc/52/31/57/365523157.db2.gz CAXQDXOFQWBBKX-JTQLQIEISA-N 1 0 236.319 0.813 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@@]1(C)CCCO1 ZINC000340339373 365485416 /nfs/dbraw/zinc/48/54/16/365485416.db2.gz TWXGOVDBHMFYAC-CMPLNLGQSA-N 1 0 226.320 0.836 20 30 BCEDRO CNC(=O)CCC[N@H+](C)CC(C)(C)C#N ZINC000576118442 365493369 /nfs/dbraw/zinc/49/33/69/365493369.db2.gz MEJXQXRUHHJHGF-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO CC1=CC[N@H+](CCNc2ccnc(C#N)n2)CC1 ZINC000576172540 365510488 /nfs/dbraw/zinc/51/04/88/365510488.db2.gz PJMKNHNWOOMFLA-UHFFFAOYSA-N 1 0 243.314 0.834 20 30 BCEDRO C[N@@H+]1CCN(Cc2ncc(C#N)cn2)CC1(C)C ZINC000579608807 366905296 /nfs/dbraw/zinc/90/52/96/366905296.db2.gz CUVBDEMJIPRATH-UHFFFAOYSA-N 1 0 245.330 0.874 20 30 BCEDRO COCC[N@H+](C)CCNC(=O)NC[C@@H](C)C#N ZINC000182636613 366925749 /nfs/dbraw/zinc/92/57/49/366925749.db2.gz PZNXFBIBOAZJHZ-JTQLQIEISA-N 1 0 242.323 0.023 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000182868558 366953265 /nfs/dbraw/zinc/95/32/65/366953265.db2.gz BRTDVFCKRUDVLM-MNOVXSKESA-N 1 0 238.335 0.882 20 30 BCEDRO N#Cc1cccc(CCNC(=O)NC2C[NH2+]C2)c1 ZINC000579690980 366980931 /nfs/dbraw/zinc/98/09/31/366980931.db2.gz NEJBOFUTCFWUBJ-UHFFFAOYSA-N 1 0 244.298 0.372 20 30 BCEDRO C[C@H](C#N)CNC(=O)[C@@H](C)Cc1c[nH]cn1 ZINC000579728938 366994910 /nfs/dbraw/zinc/99/49/10/366994910.db2.gz IRLIVEYDLPPOPZ-BDAKNGLRSA-N 1 0 220.276 0.864 20 30 BCEDRO N#CCCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000367453041 367083954 /nfs/dbraw/zinc/08/39/54/367083954.db2.gz XSIALIZNFLZANG-PWSUYJOCSA-N 1 0 221.304 0.937 20 30 BCEDRO C[C@@H]1CN(c2nc3ccccn3c2C#N)C[C@H]1[NH3+] ZINC000580764742 367159898 /nfs/dbraw/zinc/15/98/98/367159898.db2.gz INQGRIOEGDYLFK-NXEZZACHSA-N 1 0 241.298 0.989 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCC1(C)CC1 ZINC000580947915 367213412 /nfs/dbraw/zinc/21/34/12/367213412.db2.gz SPGTZVRRBZRDOM-GFCCVEGCSA-N 1 0 239.363 0.973 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)NCC[NH2+]CCOC ZINC000581019131 367238652 /nfs/dbraw/zinc/23/86/52/367238652.db2.gz LGBQNLSVYVXKKB-LLVKDONJSA-N 1 0 228.336 0.941 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000581185415 367287459 /nfs/dbraw/zinc/28/74/59/367287459.db2.gz FSJGWOMRBUVNOP-SRVKXCTJSA-N 1 0 238.331 0.821 20 30 BCEDRO N#CCC[NH2+]C[C@H](CO)Cc1cccnc1 ZINC000581191426 367290141 /nfs/dbraw/zinc/29/01/41/367290141.db2.gz ZYGBBXPVIANRCJ-GFCCVEGCSA-N 1 0 219.288 0.736 20 30 BCEDRO CC[C@H](CC#N)NC[C@@H](O)C[N@H+](C)CCOC ZINC000581202173 367294857 /nfs/dbraw/zinc/29/48/57/367294857.db2.gz SBDCJUOWCYSQFT-VXGBXAGGSA-N 1 0 243.351 0.207 20 30 BCEDRO C[C@H](O)C[N@H+](Cc1ccc(C#N)cn1)[C@@H](C)CO ZINC000581455301 367478652 /nfs/dbraw/zinc/47/86/52/367478652.db2.gz CZBXHKWGQCENJO-QWRGUYRKSA-N 1 0 249.314 0.517 20 30 BCEDRO C=CCOCCC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000581497458 367526300 /nfs/dbraw/zinc/52/63/00/367526300.db2.gz WHNXSQWHAOTGNL-ZDUSSCGKSA-N 1 0 238.331 0.934 20 30 BCEDRO C=C(C)C[N@@H+](CC)C[C@](C)(O)C(=O)OC ZINC000382526885 367533561 /nfs/dbraw/zinc/53/35/61/367533561.db2.gz BKQUVKDQNXPYRQ-NSHDSACASA-N 1 0 215.293 0.808 20 30 BCEDRO C=C1CCN(C(=O)C[NH2+]CCOC)CC1 ZINC000382554409 367538716 /nfs/dbraw/zinc/53/87/16/367538716.db2.gz GLTCRGPBXKTDJF-UHFFFAOYSA-N 1 0 212.293 0.401 20 30 BCEDRO C=C1CCN(C(=O)C[C@H]2COCC[NH2+]2)CC1 ZINC000382602222 367548545 /nfs/dbraw/zinc/54/85/45/367548545.db2.gz STSAUIYEAOVTQB-NSHDSACASA-N 1 0 224.304 0.544 20 30 BCEDRO C=CCNC(=O)[C@@H](C)SCC[NH2+]C ZINC000382665571 367552269 /nfs/dbraw/zinc/55/22/69/367552269.db2.gz YQUALQDOTHPZLG-MRVPVSSYSA-N 1 0 202.323 0.630 20 30 BCEDRO C[N@@H+]1CCC[C@H](CCNc2ncncc2C#N)C1 ZINC000581486179 367517769 /nfs/dbraw/zinc/51/77/69/367517769.db2.gz YTMHOCQLEPBKEE-LLVKDONJSA-N 1 0 245.330 0.914 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1CCO[C@H]1C ZINC000383045334 367591559 /nfs/dbraw/zinc/59/15/59/367591559.db2.gz IQLCYAUWVQVXJK-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000615447887 367873856 /nfs/dbraw/zinc/87/38/56/367873856.db2.gz NEPPNJHTKPYNTB-JQWIXIFHSA-N 1 0 238.331 0.476 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@@](F)(C#N)C1 ZINC000615593857 368125949 /nfs/dbraw/zinc/12/59/49/368125949.db2.gz GFMWUMGPZGPUON-GXSJLCMTSA-N 1 0 225.267 0.545 20 30 BCEDRO CC(C)(C#N)CC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000566628299 326069908 /nfs/dbraw/zinc/06/99/08/326069908.db2.gz LSWNPHMFPLKDGV-LLVKDONJSA-N 1 0 225.292 0.160 20 30 BCEDRO C=CCOCC(=O)N[C@H](C)CCC[NH3+] ZINC000566737984 326078354 /nfs/dbraw/zinc/07/83/54/326078354.db2.gz LNTWLHQMJSTXPQ-SECBINFHSA-N 1 0 200.282 0.433 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](F)(C#N)C2)C1 ZINC000615823644 368457515 /nfs/dbraw/zinc/45/75/15/368457515.db2.gz SPPKVVCUPMBDAW-KOLCDFICSA-N 1 0 225.267 0.402 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N(C)C[C@@H](C)C#N ZINC000063467237 368585685 /nfs/dbraw/zinc/58/56/85/368585685.db2.gz PLRXURPCISABCN-JTQLQIEISA-N 1 0 211.309 0.945 20 30 BCEDRO C=CC[N@@H+]1CCCC[C@@H]1C(=O)N1CCOCC1 ZINC000066892565 368666646 /nfs/dbraw/zinc/66/66/46/368666646.db2.gz YPLZPHAFNZEOGT-GFCCVEGCSA-N 1 0 238.331 0.886 20 30 BCEDRO CNC(=[NH2+])NCCCCNc1ccccn1 ZINC000066246662 368642235 /nfs/dbraw/zinc/64/22/35/368642235.db2.gz VLUDQCZAOZKMPT-UHFFFAOYSA-N 1 0 221.308 0.808 20 30 BCEDRO CC1(C)CCC[N@@H+]1CCNC(=O)CC#N ZINC000457046088 203004201 /nfs/dbraw/zinc/00/42/01/203004201.db2.gz BKWDWKSIFMJAMF-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000081750810 370917290 /nfs/dbraw/zinc/91/72/90/370917290.db2.gz LPJDFOQQDCBPOL-LLVKDONJSA-N 1 0 246.314 0.721 20 30 BCEDRO C#CCNC(=[NH+]C)N1CCC(C(=O)OC)CC1 ZINC000073628543 368812414 /nfs/dbraw/zinc/81/24/14/368812414.db2.gz VFIRCYIQCZLUBF-UHFFFAOYSA-N 1 0 237.303 0.080 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000615958764 368787360 /nfs/dbraw/zinc/78/73/60/368787360.db2.gz OMFIZICVJLMMST-HUAZRZQGSA-N 1 0 224.304 0.275 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000616185595 369018183 /nfs/dbraw/zinc/01/81/83/369018183.db2.gz ANDOUEXPOXLTLW-ZDUSSCGKSA-N 1 0 240.347 0.914 20 30 BCEDRO Cc1cc(C(=O)NC[C@@H](C)[NH+](C)C)ncc1C#N ZINC000457428390 203060874 /nfs/dbraw/zinc/06/08/74/203060874.db2.gz DFDRPSKNRXTXIP-SNVBAGLBSA-N 1 0 246.314 0.942 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@@H](C[NH3+])[C@H](C)C2)C1=O ZINC000631836590 369079795 /nfs/dbraw/zinc/07/97/95/369079795.db2.gz BXFHKIZRXHHTBZ-UTUOFQBUSA-N 1 0 237.347 0.300 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N(CC#N)CC#N)C1 ZINC000567484312 326201623 /nfs/dbraw/zinc/20/16/23/326201623.db2.gz KVCDCGCVORYOKA-JTQLQIEISA-N 1 0 220.276 0.204 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000458410431 203170853 /nfs/dbraw/zinc/17/08/53/203170853.db2.gz MIHOAIDWAXUSBM-LLVKDONJSA-N 1 0 235.331 0.888 20 30 BCEDRO C[C@@H]1CN(CC[NH2+][C@H]2CCC[C@H]2C#N)CCO1 ZINC000459489227 203291900 /nfs/dbraw/zinc/29/19/00/203291900.db2.gz XKNMMQGRCQIBKU-AGIUHOORSA-N 1 0 237.347 0.989 20 30 BCEDRO COCCN(CC#N)CCN1CCO[C@H](C)C1 ZINC000459529756 203296533 /nfs/dbraw/zinc/29/65/33/203296533.db2.gz FRWPXIFQNBSERO-GFCCVEGCSA-N 1 0 241.335 0.179 20 30 BCEDRO N#Cc1cncc(N2CCC[C@@H]([NH3+])C2)n1 ZINC000401459114 369362366 /nfs/dbraw/zinc/36/23/66/369362366.db2.gz PEKCRVRTCPVBJG-MRVPVSSYSA-N 1 0 203.249 0.276 20 30 BCEDRO N#Cc1cncc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000401534285 369368186 /nfs/dbraw/zinc/36/81/86/369368186.db2.gz XMBORPCONTVRJR-ZJUUUORDSA-N 1 0 229.287 0.394 20 30 BCEDRO N#Cc1cccc2c1CN(C(=O)[C@H]1CC[NH2+]1)C2 ZINC000405185918 369447854 /nfs/dbraw/zinc/44/78/54/369447854.db2.gz NVMJLFPJWCXTPK-GFCCVEGCSA-N 1 0 227.267 0.762 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCN1C(=O)CCC1=O ZINC000405413037 369459647 /nfs/dbraw/zinc/45/96/47/369459647.db2.gz WFTYMUNUFVLGTG-VIFPVBQESA-N 1 0 223.276 0.417 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)NCC2(C#N)CC2)C1 ZINC000619527068 369462718 /nfs/dbraw/zinc/46/27/18/369462718.db2.gz LOWPAZJETZXXDZ-JTQLQIEISA-N 1 0 236.319 0.684 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1CC ZINC000459801285 203373361 /nfs/dbraw/zinc/37/33/61/203373361.db2.gz KXDFNXMMIHSORK-AXFHLTTASA-N 1 0 226.320 0.834 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+]CCC(C)(C)C#N ZINC000459832507 203377218 /nfs/dbraw/zinc/37/72/18/203377218.db2.gz SRAOHMQVYOUAEI-VHSXEESVSA-N 1 0 212.293 0.930 20 30 BCEDRO C=CCNC(=O)CN1C[C@@H]2C[C@H]1CS2 ZINC000459792129 203371529 /nfs/dbraw/zinc/37/15/29/203371529.db2.gz ITIXVBZANPSRSO-IUCAKERBSA-N 1 0 212.318 0.478 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000619718771 369548668 /nfs/dbraw/zinc/54/86/68/369548668.db2.gz WMDRTJLQMRSBRS-NEPJUHHUSA-N 1 0 240.347 0.988 20 30 BCEDRO C[NH2+]C1(CNC(=O)c2cc(C#N)c[nH]2)CCC1 ZINC000600825253 369568387 /nfs/dbraw/zinc/56/83/87/369568387.db2.gz QRRARNBFALPFRV-UHFFFAOYSA-N 1 0 232.287 0.758 20 30 BCEDRO N#Cc1cnnc(N2CC([NH+]3CCCC3)C2)c1 ZINC000601194310 369604132 /nfs/dbraw/zinc/60/41/32/369604132.db2.gz YDVXQCQWDJQQDY-UHFFFAOYSA-N 1 0 229.287 0.633 20 30 BCEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@H]1COC[C@H]1O)CC2 ZINC000601291287 369619712 /nfs/dbraw/zinc/61/97/12/369619712.db2.gz JEPHLSNQBMGTKO-MELADBBJSA-N 1 0 244.294 0.895 20 30 BCEDRO CC[NH+](CC)CC(=O)Nc1n[nH]cc1C#N ZINC000601639017 369646763 /nfs/dbraw/zinc/64/67/63/369646763.db2.gz GFBZYBJQYMXDQR-UHFFFAOYSA-N 1 0 221.264 0.562 20 30 BCEDRO CC1(C)C[C@H]([NH2+]CCn2cnc(C#N)n2)CCO1 ZINC000601963677 369729428 /nfs/dbraw/zinc/72/94/28/369729428.db2.gz LEIJLJYRHRNYCO-SNVBAGLBSA-N 1 0 249.318 0.697 20 30 BCEDRO N#Cc1cc(N2CCC[C@H]3C[NH2+]C[C@H]32)ncn1 ZINC000601981778 369731649 /nfs/dbraw/zinc/73/16/49/369731649.db2.gz YCQGEGFYMISBCN-GXSJLCMTSA-N 1 0 229.287 0.536 20 30 BCEDRO N#Cc1cc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc(C2CC2)n1 ZINC000601984493 369731917 /nfs/dbraw/zinc/73/19/17/369731917.db2.gz RSBGIGIECYQDME-QWRGUYRKSA-N 1 0 241.298 0.776 20 30 BCEDRO C[C@@H](CO)C[NH2+]Cc1cccc(C#N)n1 ZINC000602521829 369805851 /nfs/dbraw/zinc/80/58/51/369805851.db2.gz SDFXESNUWZPKQQ-SECBINFHSA-N 1 0 205.261 0.671 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCCn2cncn2)n1 ZINC000602540016 369808499 /nfs/dbraw/zinc/80/84/99/369808499.db2.gz IRAUBVSIAARCKI-UHFFFAOYSA-N 1 0 242.286 0.725 20 30 BCEDRO C[C@H](CCO)[NH2+]Cc1cccc(C#N)n1 ZINC000602559705 369812165 /nfs/dbraw/zinc/81/21/65/369812165.db2.gz ZVSWCMVMSGYXHN-SECBINFHSA-N 1 0 205.261 0.814 20 30 BCEDRO CNC(=O)C[C@H](C)[NH2+]Cc1cccc(C#N)n1 ZINC000602685084 369841676 /nfs/dbraw/zinc/84/16/76/369841676.db2.gz XWCSMSUJNKPGTC-VIFPVBQESA-N 1 0 232.287 0.567 20 30 BCEDRO CO[C@]1(C[NH2+]Cc2cccc(C#N)n2)CCOC1 ZINC000602617015 369827795 /nfs/dbraw/zinc/82/77/95/369827795.db2.gz MNVBWZPWHZVGED-ZDUSSCGKSA-N 1 0 247.298 0.848 20 30 BCEDRO CCC[C@@H](C[NH2+]CCn1cnc(C#N)n1)OC ZINC000602652300 369827912 /nfs/dbraw/zinc/82/79/12/369827912.db2.gz CIMRSMIBXWEVLL-JTQLQIEISA-N 1 0 237.307 0.554 20 30 BCEDRO CC[N@H+](CCO)CCNCc1cccc(C#N)n1 ZINC000602619562 369827992 /nfs/dbraw/zinc/82/79/92/369827992.db2.gz OWKWXSMMSHAGAJ-UHFFFAOYSA-N 1 0 248.330 0.357 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cccc(C#N)n1 ZINC000602655426 369835064 /nfs/dbraw/zinc/83/50/64/369835064.db2.gz KRTGOKXWNTZWIT-BXKDBHETSA-N 1 0 244.298 0.567 20 30 BCEDRO C[NH2+]CCCNC(=O)Cc1ccc(C#N)nc1 ZINC000602423714 369785383 /nfs/dbraw/zinc/78/53/83/369785383.db2.gz DGOZXNHZFWPQTG-UHFFFAOYSA-N 1 0 232.287 0.221 20 30 BCEDRO N#Cc1ccc(CC(=O)NC[C@@H]([NH3+])C2CC2)cn1 ZINC000602481938 369794840 /nfs/dbraw/zinc/79/48/40/369794840.db2.gz DNAGLXDLVREIEH-GFCCVEGCSA-N 1 0 244.298 0.349 20 30 BCEDRO C[NH+](C)[C@@H]1C[C@@H](Nc2ncncc2C#N)C1(C)C ZINC000603399941 369949240 /nfs/dbraw/zinc/94/92/40/369949240.db2.gz FRKCSDUAVGYWKO-GHMZBOCLSA-N 1 0 245.330 0.911 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000620590472 369942267 /nfs/dbraw/zinc/94/22/67/369942267.db2.gz AIZXZPBIKMUORN-ZJUUUORDSA-N 1 0 212.293 0.134 20 30 BCEDRO CC[N@@H+]1CCCN(c2ncncc2C#N)CC1 ZINC000307890624 370063414 /nfs/dbraw/zinc/06/34/14/370063414.db2.gz DCKLIWBOEFHHNN-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C1CC[NH2+]CC1 ZINC000063093144 370130194 /nfs/dbraw/zinc/13/01/94/370130194.db2.gz VGCOFZTXCIRICF-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO CCOC[C@H](O)C[NH2+][C@H](CC)CC#N ZINC000308687907 370149955 /nfs/dbraw/zinc/14/99/55/370149955.db2.gz QJLSMHRWTVOPKH-NXEZZACHSA-N 1 0 200.282 0.666 20 30 BCEDRO CN(C[C@H]1CCC[N@@H+]1C)c1ncncc1C#N ZINC000310170098 370316174 /nfs/dbraw/zinc/31/61/74/370316174.db2.gz SYBCUMMHRIRXDV-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO COCC[NH+]1CCC(NC[C@@H](C)C#N)CC1 ZINC000309890095 370272225 /nfs/dbraw/zinc/27/22/25/370272225.db2.gz CBNLMCPCLCJZAC-NSHDSACASA-N 1 0 225.336 0.846 20 30 BCEDRO N#Cc1cncnc1N1CCC(CC[NH3+])CC1 ZINC000310124760 370304962 /nfs/dbraw/zinc/30/49/62/370304962.db2.gz CTCBJSOSEKGFQR-UHFFFAOYSA-N 1 0 231.303 0.913 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000621370872 370306542 /nfs/dbraw/zinc/30/65/42/370306542.db2.gz TYHJNTSHFIXBBQ-SRVKXCTJSA-N 1 0 213.321 0.874 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000310481239 370348235 /nfs/dbraw/zinc/34/82/35/370348235.db2.gz DWNHNGDANLSOLY-WCQYABFASA-N 1 0 238.331 0.742 20 30 BCEDRO C[N@@H+]1CC[C@@]2(CCN(c3ccnc(C#N)n3)C2)C1 ZINC000311222629 370394607 /nfs/dbraw/zinc/39/46/07/370394607.db2.gz PUHOMBXNFFVJML-CYBMUJFWSA-N 1 0 243.314 0.880 20 30 BCEDRO C=CCOCC(=O)N1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621689200 370438039 /nfs/dbraw/zinc/43/80/39/370438039.db2.gz DVQYQKWEACBJBS-ZYHUDNBSSA-N 1 0 224.304 0.529 20 30 BCEDRO C=CCCC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000313338295 370580065 /nfs/dbraw/zinc/58/00/65/370580065.db2.gz BBZUOEQRMPWHFS-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000623946249 371172895 /nfs/dbraw/zinc/17/28/95/371172895.db2.gz TXMQORZKSWPBSJ-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO Cc1cc(C#N)cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000161768787 371561979 /nfs/dbraw/zinc/56/19/79/371561979.db2.gz VKGJXBRLXLOUPI-VXGBXAGGSA-N 1 0 228.299 0.917 20 30 BCEDRO C[C@@H]1CN(c2cnc(C#N)cn2)C[C@H](C)[N@H+]1C ZINC000162539758 371706992 /nfs/dbraw/zinc/70/69/92/371706992.db2.gz UZMMHYXYBMQDJB-AOOOYVTPSA-N 1 0 231.303 0.877 20 30 BCEDRO C=CCN(CC=C)S(=O)(=O)CCC[NH+](C)C ZINC000631638859 372475707 /nfs/dbraw/zinc/47/57/07/372475707.db2.gz SIDMIDYVMKQVKU-UHFFFAOYSA-N 1 0 246.376 0.942 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000631888399 372682872 /nfs/dbraw/zinc/68/28/72/372682872.db2.gz YPBWVCHGCUDRMO-RYUDHWBXSA-N 1 0 237.347 0.363 20 30 BCEDRO C=C[C@@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000632093057 372758384 /nfs/dbraw/zinc/75/83/84/372758384.db2.gz PKWSJZNTLKZKME-SECBINFHSA-N 1 0 220.338 0.432 20 30 BCEDRO C=C(C)CNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632240145 372821325 /nfs/dbraw/zinc/82/13/25/372821325.db2.gz CIKVIRFPSVLBNB-UHFFFAOYSA-N 1 0 246.376 0.968 20 30 BCEDRO CC#CCCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632331343 372886825 /nfs/dbraw/zinc/88/68/25/372886825.db2.gz KLLZCMGAHIDERN-UHFFFAOYSA-N 1 0 248.330 0.588 20 30 BCEDRO C=CCCS(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000632382285 372910698 /nfs/dbraw/zinc/91/06/98/372910698.db2.gz LBOCUXGQPQFYFO-UHFFFAOYSA-N 1 0 232.349 0.386 20 30 BCEDRO C=CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632549440 373000812 /nfs/dbraw/zinc/00/08/12/373000812.db2.gz UHYGJBCOEQOJKP-UHFFFAOYSA-N 1 0 246.376 0.968 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000634269492 374083194 /nfs/dbraw/zinc/08/31/94/374083194.db2.gz HSLCPWCRMGEAQB-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C=CCNC(=O)C[NH2+]C(C)(C)COC ZINC000171204412 206004109 /nfs/dbraw/zinc/00/41/09/206004109.db2.gz ACYYIAMUYNJZKA-UHFFFAOYSA-N 1 0 200.282 0.303 20 30 BCEDRO COC(=O)C(C)(C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424090929 206029520 /nfs/dbraw/zinc/02/95/20/206029520.db2.gz CPAIECWBEQWAQU-MRVPVSSYSA-N 1 0 241.291 0.075 20 30 BCEDRO CC#CCC[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000155990998 206073208 /nfs/dbraw/zinc/07/32/08/206073208.db2.gz DLIKEQPPOXIFQH-CYBMUJFWSA-N 1 0 240.347 0.025 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C[N@@H+](C)CCC ZINC000456764840 206117228 /nfs/dbraw/zinc/11/72/28/206117228.db2.gz FYSALHCGOVZYRQ-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459701853 206138187 /nfs/dbraw/zinc/13/81/87/206138187.db2.gz QQHCGOSCMROCJT-QJPTWQEYSA-N 1 0 238.335 0.829 20 30 BCEDRO CCCN(c1nccc(C#N)n1)[C@@H]1CC[NH2+]C1 ZINC000231942709 169183527 /nfs/dbraw/zinc/18/35/27/169183527.db2.gz OJXJMOXZKRNEGM-LLVKDONJSA-N 1 0 231.303 0.927 20 30 BCEDRO CC[N@H+](C)CCNS(=O)(=O)CC1(C#N)CC1 ZINC000180410894 134326910 /nfs/dbraw/zinc/32/69/10/134326910.db2.gz BQZGESVDKSSZDF-UHFFFAOYSA-N 1 0 245.348 0.161 20 30 BCEDRO CC[C@H](C(N)=O)[NH+]1CCC(C)(C#N)CC1 ZINC000227353697 134378760 /nfs/dbraw/zinc/37/87/60/134378760.db2.gz LZTZZSBXMUKUPT-SECBINFHSA-N 1 0 209.293 0.876 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000089899400 383899732 /nfs/dbraw/zinc/89/97/32/383899732.db2.gz TXCRVLZLYLAOAG-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO C[C@H](CC[NH+](C)C)NS(=O)(=O)CCC#N ZINC000332468270 384005583 /nfs/dbraw/zinc/00/55/83/384005583.db2.gz KWCCQSCRXAYVAI-SECBINFHSA-N 1 0 233.337 0.160 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000646880701 384015201 /nfs/dbraw/zinc/01/52/01/384015201.db2.gz ZCPAMTQZOHNMGF-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO CC[N@@H+]1CCCN(C(=O)CSCC#N)CC1 ZINC000363440527 384033142 /nfs/dbraw/zinc/03/31/42/384033142.db2.gz AEPXXPKQWWMBLZ-UHFFFAOYSA-N 1 0 241.360 0.797 20 30 BCEDRO C#CCC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000363460678 384062841 /nfs/dbraw/zinc/06/28/41/384062841.db2.gz IZJQULWCNMIMNL-CYBMUJFWSA-N 1 0 222.332 0.664 20 30 BCEDRO C#CCCN1CCN([C@@H]2CCCCNC2=O)CC1 ZINC000363461563 384064185 /nfs/dbraw/zinc/06/41/85/384064185.db2.gz SPMVXKWQIGMHBM-CYBMUJFWSA-N 1 0 249.358 0.296 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[NH2+][C@@H](C)C2)nn1 ZINC000648128875 384081587 /nfs/dbraw/zinc/08/15/87/384081587.db2.gz VYZYPYPNKGTUQM-UWVGGRQHSA-N 1 0 249.318 0.334 20 30 BCEDRO C[NH+](C)CC(=O)NCCc1cccc(C#N)c1 ZINC000340107015 384103115 /nfs/dbraw/zinc/10/31/15/384103115.db2.gz WTFOCGJWZDCKKP-UHFFFAOYSA-N 1 0 231.299 0.779 20 30 BCEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@H]1COC[C@@H]1O ZINC000340283603 384147351 /nfs/dbraw/zinc/14/73/51/384147351.db2.gz LZDRHGQMPHDWCR-STQMWFEESA-N 1 0 232.283 0.750 20 30 BCEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1COC[C@@H]1O ZINC000340283599 384147963 /nfs/dbraw/zinc/14/79/63/384147963.db2.gz LZDRHGQMPHDWCR-OLZOCXBDSA-N 1 0 232.283 0.750 20 30 BCEDRO COCCn1cc(CNCC2(C#N)CC2)cn1 ZINC000518662227 384163293 /nfs/dbraw/zinc/16/32/93/384163293.db2.gz QSAXNLNTPJMGOE-UHFFFAOYSA-N 1 0 234.303 0.923 20 30 BCEDRO C#CCCNC(=[NH+]C)N1CC[C@@]2(CCOC2)C1 ZINC000261931620 533044177 /nfs/dbraw/zinc/04/41/77/533044177.db2.gz BLDSRGLBUSRPHI-CYBMUJFWSA-N 1 0 235.331 0.698 20 30 BCEDRO C[C@H](CO)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000135622634 384204836 /nfs/dbraw/zinc/20/48/36/384204836.db2.gz ULEGPZNFKNPRNH-MFKMUULPSA-N 1 0 234.299 0.904 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000371205332 533050318 /nfs/dbraw/zinc/05/03/18/533050318.db2.gz QVYSYYXQLBPIJB-JTQLQIEISA-N 1 0 230.333 0.023 20 30 BCEDRO CC[NH+]=C(NCCn1ccnc1)NC(C)C ZINC000072592783 384227212 /nfs/dbraw/zinc/22/72/12/384227212.db2.gz SNQWIGODBSLCBB-UHFFFAOYSA-N 1 0 223.324 0.847 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@]2(CNC(=O)O2)C1 ZINC000369037369 533050297 /nfs/dbraw/zinc/05/02/97/533050297.db2.gz WYPDDBIONABUGK-LLVKDONJSA-N 1 0 208.261 0.584 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000375624489 533050856 /nfs/dbraw/zinc/05/08/56/533050856.db2.gz OWWPFODQAJRXFX-NSHDSACASA-N 1 0 244.360 0.366 20 30 BCEDRO CC[C@H]1CC[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000336742764 384262223 /nfs/dbraw/zinc/26/22/23/384262223.db2.gz SMCGJODHJVFHHJ-UWVGGRQHSA-N 1 0 219.292 0.928 20 30 BCEDRO CS[C@H]1CC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000425342426 384272301 /nfs/dbraw/zinc/27/23/01/384272301.db2.gz AADROATVJIBSSZ-BDAKNGLRSA-N 1 0 237.332 0.633 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@](CC)(CO)C1 ZINC000187565099 384274834 /nfs/dbraw/zinc/27/48/34/384274834.db2.gz YDRQASRZMONFKD-CYBMUJFWSA-N 1 0 240.347 0.773 20 30 BCEDRO C=CC1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000187757908 384306257 /nfs/dbraw/zinc/30/62/57/384306257.db2.gz UBBYXWGMQBSBDU-LLVKDONJSA-N 1 0 224.304 0.399 20 30 BCEDRO C[C@@H](CNC(=O)c1ccc(C#N)n1C)C[NH+](C)C ZINC000452002834 384319855 /nfs/dbraw/zinc/31/98/55/384319855.db2.gz ICPUYJWQVBBSOQ-JTQLQIEISA-N 1 0 248.330 0.824 20 30 BCEDRO C#CCC[NH+]1CCN(CCOCC=C)CC1 ZINC000293927468 533052896 /nfs/dbraw/zinc/05/28/96/533052896.db2.gz YLJRJRVNLIZTRO-UHFFFAOYSA-N 1 0 222.332 0.830 20 30 BCEDRO N#Cc1cnc(N2CC[N@@H+]3CCC[C@@H]3C2)cn1 ZINC000094460881 384301345 /nfs/dbraw/zinc/30/13/45/384301345.db2.gz UKQWALMQHPVQIA-LLVKDONJSA-N 1 0 229.287 0.633 20 30 BCEDRO C=CCn1cc(C[NH2+]C[C@H](C)COC)nn1 ZINC000644904686 384335728 /nfs/dbraw/zinc/33/57/28/384335728.db2.gz HWJHUJBMQNHBQG-JTQLQIEISA-N 1 0 224.308 0.836 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(CCO)CC1 ZINC000400927297 384357594 /nfs/dbraw/zinc/35/75/94/384357594.db2.gz MPBOSJQRXCIFBX-UHFFFAOYSA-N 1 0 226.320 0.383 20 30 BCEDRO C#CCC[N@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000368510188 533058107 /nfs/dbraw/zinc/05/81/07/533058107.db2.gz DMSRSRGOWOUYIM-CHWSQXEVSA-N 1 0 222.332 0.805 20 30 BCEDRO C=CC[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000159399602 384393705 /nfs/dbraw/zinc/39/37/05/384393705.db2.gz ILKHVYMZIQVDQL-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNc1cncc(C#N)n1 ZINC000401207218 384394408 /nfs/dbraw/zinc/39/44/08/384394408.db2.gz KLDPSJRXYDHKLE-NSHDSACASA-N 1 0 246.318 0.006 20 30 BCEDRO C=CCNC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000335647190 384418693 /nfs/dbraw/zinc/41/86/93/384418693.db2.gz KBSJFSNIRFZKCU-MWLCHTKSSA-N 1 0 211.309 0.799 20 30 BCEDRO C#CCC[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000368510290 533059069 /nfs/dbraw/zinc/05/90/69/533059069.db2.gz DMSRSRGOWOUYIM-QWHCGFSZSA-N 1 0 222.332 0.805 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000647268389 384445637 /nfs/dbraw/zinc/44/56/37/384445637.db2.gz AXJSYLIFWUILDY-MNOVXSKESA-N 1 0 246.376 0.952 20 30 BCEDRO C[C@H](C#N)CNC(=O)NC(C)(C)C[NH+](C)C ZINC000556740676 384466901 /nfs/dbraw/zinc/46/69/01/384466901.db2.gz RMMWHAOSCUMWLR-SECBINFHSA-N 1 0 226.324 0.785 20 30 BCEDRO C=C(C)CC[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000556811739 384497282 /nfs/dbraw/zinc/49/72/82/384497282.db2.gz HKOQMZPFCGOYSB-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCC[C@H]1N1CCOCC1 ZINC000372696787 384522744 /nfs/dbraw/zinc/52/27/44/384522744.db2.gz QNOMDBQCFRLDEA-CHWSQXEVSA-N 1 0 222.332 0.853 20 30 BCEDRO O[C@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC000236578690 384524188 /nfs/dbraw/zinc/52/41/88/384524188.db2.gz YEBSLZUHRODFKH-STQMWFEESA-N 1 0 217.268 0.076 20 30 BCEDRO C=CCCS(=O)(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000236654699 384546092 /nfs/dbraw/zinc/54/60/92/384546092.db2.gz WWVBNJQKORFRSG-LLVKDONJSA-N 1 0 246.376 0.872 20 30 BCEDRO COC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000234868711 384561597 /nfs/dbraw/zinc/56/15/97/384561597.db2.gz WWYLZJSDJRIRJE-GFCCVEGCSA-N 1 0 220.272 0.655 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000491757711 384576208 /nfs/dbraw/zinc/57/62/08/384576208.db2.gz FKKQLOHWDSZMHE-QWRGUYRKSA-N 1 0 225.336 0.990 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000643069928 384590817 /nfs/dbraw/zinc/59/08/17/384590817.db2.gz ZNMWCOVPVLLLQZ-SRVKXCTJSA-N 1 0 237.347 0.361 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000491753672 384566106 /nfs/dbraw/zinc/56/61/06/384566106.db2.gz OXKOZKCYJKPCRC-STQMWFEESA-N 1 0 247.342 0.795 20 30 BCEDRO C[NH+](C)[C@@H]1CCN(S(=O)(=O)CCCC#N)C1 ZINC000111339273 384611593 /nfs/dbraw/zinc/61/15/93/384611593.db2.gz GBXDJBGBIAZQTJ-SNVBAGLBSA-N 1 0 245.348 0.256 20 30 BCEDRO C=C(C)COCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000163793329 384617009 /nfs/dbraw/zinc/61/70/09/384617009.db2.gz SDLMTXRSEYFOBS-CYBMUJFWSA-N 1 0 242.363 0.625 20 30 BCEDRO C[NH+](C)CC1CN(c2cncc(C#N)n2)C1 ZINC000401258778 384631499 /nfs/dbraw/zinc/63/14/99/384631499.db2.gz MSWNGEXDVAINOE-UHFFFAOYSA-N 1 0 217.276 0.346 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)SC ZINC000491392211 384674432 /nfs/dbraw/zinc/67/44/32/384674432.db2.gz AUNRSZDBUOMWGP-SECBINFHSA-N 1 0 214.334 0.467 20 30 BCEDRO CC(C)(C#N)C(=O)NCC[NH+]1CCCC1 ZINC000048439758 384675141 /nfs/dbraw/zinc/67/51/41/384675141.db2.gz MCAKEDUGZHSWNU-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1C1(O)CC1 ZINC000518117961 384693291 /nfs/dbraw/zinc/69/32/91/384693291.db2.gz YKKRHYNQVSKCNS-NSHDSACASA-N 1 0 238.331 0.668 20 30 BCEDRO Cc1cnccc1CCNC(=[NH2+])N(C)C ZINC000162897272 384702120 /nfs/dbraw/zinc/70/21/20/384702120.db2.gz TUYZUSWNNKCQAB-UHFFFAOYSA-N 1 0 206.293 0.809 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000491788584 384715647 /nfs/dbraw/zinc/71/56/47/384715647.db2.gz XWJSXYGBKBUZNY-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000491788564 384716250 /nfs/dbraw/zinc/71/62/50/384716250.db2.gz XWJSXYGBKBUZNY-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@](C)(O)C2)C1=O ZINC000334966272 384719825 /nfs/dbraw/zinc/71/98/25/384719825.db2.gz YXPHHDKBDBZAGA-WCQYABFASA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1ncnn1C ZINC000320185287 384780645 /nfs/dbraw/zinc/78/06/45/384780645.db2.gz AGNQAXXVEFHZDT-SECBINFHSA-N 1 0 210.281 0.232 20 30 BCEDRO C#C[C@H]1COCCN1C[C@@H](O)CCOC(C)C ZINC000491805738 384774779 /nfs/dbraw/zinc/77/47/79/384774779.db2.gz PDUCUWQYSCOVQU-STQMWFEESA-N 1 0 241.331 0.496 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000491792570 384732469 /nfs/dbraw/zinc/73/24/69/384732469.db2.gz GNGXXFKFNWJMIA-SNVBAGLBSA-N 1 0 232.349 0.221 20 30 BCEDRO CN1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CCC1=O ZINC000309960839 384741191 /nfs/dbraw/zinc/74/11/91/384741191.db2.gz LAWNDFIWVDTRFR-OUAUKWLOSA-N 1 0 221.304 0.889 20 30 BCEDRO CN1C[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)CC1=O ZINC000309969498 384747533 /nfs/dbraw/zinc/74/75/33/384747533.db2.gz OSCKFOGLOWSARD-OUAUKWLOSA-N 1 0 221.304 0.889 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000071272260 384779716 /nfs/dbraw/zinc/77/97/16/384779716.db2.gz SJKOVFUHBXAORA-NSHDSACASA-N 1 0 238.262 0.794 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@H](CO)C1 ZINC000491414551 384750341 /nfs/dbraw/zinc/75/03/41/384750341.db2.gz CZBWIGCAESLQMB-NWDGAFQWSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCSCCNC(=O)[C@@H](CC)[NH+](C)C ZINC000155710208 384760377 /nfs/dbraw/zinc/76/03/77/384760377.db2.gz RSVLQTOAXGZEON-SNVBAGLBSA-N 1 0 228.361 0.809 20 30 BCEDRO C[NH+]=C(NCCCn1ccnc1)NC1CC1 ZINC000103337667 384760667 /nfs/dbraw/zinc/76/06/67/384760667.db2.gz FZHIFSUSQWXTLI-UHFFFAOYSA-N 1 0 221.308 0.601 20 30 BCEDRO C[NH+]=C(NCc1cccnc1OC)NC1CC1 ZINC000103337821 384761916 /nfs/dbraw/zinc/76/19/16/384761916.db2.gz VNLQIAIILKNJTA-UHFFFAOYSA-N 1 0 234.303 0.918 20 30 BCEDRO CC[N@H+](C)CCNC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000360082362 384772737 /nfs/dbraw/zinc/77/27/37/384772737.db2.gz KZWTURGTANAQTJ-WDEREUQCSA-N 1 0 238.335 0.930 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CCO[C@H](C#N)C1 ZINC000106043183 384819963 /nfs/dbraw/zinc/81/99/63/384819963.db2.gz CNRHJFBPDRZCOV-SNVBAGLBSA-N 1 0 225.292 0.079 20 30 BCEDRO CC#CCN(C)C(=O)NCC[N@@H+](C)CCOC ZINC000297515306 384834577 /nfs/dbraw/zinc/83/45/77/384834577.db2.gz CHLROJBBJSQYRD-UHFFFAOYSA-N 1 0 241.335 0.229 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000491068784 384799028 /nfs/dbraw/zinc/79/90/28/384799028.db2.gz QZSZSYOAPUTXOE-NEPJUHHUSA-N 1 0 238.331 0.267 20 30 BCEDRO C=CCCS(=O)(=O)NC(C)(C)CCC[NH3+] ZINC000310033820 384801172 /nfs/dbraw/zinc/80/11/72/384801172.db2.gz SFNQSUJHFLIAIU-UHFFFAOYSA-N 1 0 234.365 0.999 20 30 BCEDRO [NH2+]=C(NCc1ccccn1)N1CCOCC1 ZINC000104152534 384804970 /nfs/dbraw/zinc/80/49/70/384804970.db2.gz KCGVNRNJAXPSBL-UHFFFAOYSA-N 1 0 220.276 0.229 20 30 BCEDRO C#CCNC(=O)CCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000491119909 384886050 /nfs/dbraw/zinc/88/60/50/384886050.db2.gz KQRAAUNPMXSTHY-CYBMUJFWSA-N 1 0 249.358 0.296 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000646903294 384852609 /nfs/dbraw/zinc/85/26/09/384852609.db2.gz GUORJYKNSMJHQX-VXGBXAGGSA-N 1 0 240.347 0.627 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000491441505 384866326 /nfs/dbraw/zinc/86/63/26/384866326.db2.gz WEDHDSUAORLJDF-QWRGUYRKSA-N 1 0 235.331 0.886 20 30 BCEDRO COC[C@@H](O)CC[NH2+]Cc1ccc(C#N)o1 ZINC000127478435 384901563 /nfs/dbraw/zinc/90/15/63/384901563.db2.gz FPGQCXANLQALOC-VIFPVBQESA-N 1 0 224.260 0.638 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000191720305 384907966 /nfs/dbraw/zinc/90/79/66/384907966.db2.gz ZDLHZMOITDQYHR-AEJSXWLSSA-N 1 0 212.293 0.137 20 30 BCEDRO C=CCN(CCC#N)C(=O)[C@H]1CC[N@@H+](C)C1 ZINC000557383113 384922904 /nfs/dbraw/zinc/92/29/04/384922904.db2.gz CJVZSZTVDOYHAD-NSHDSACASA-N 1 0 221.304 0.866 20 30 BCEDRO N#Cc1cc(C(=O)NCC[NH+]2CCCC2)c[nH]1 ZINC000181157065 384935397 /nfs/dbraw/zinc/93/53/97/384935397.db2.gz OEUPJQAABLWCSB-UHFFFAOYSA-N 1 0 232.287 0.712 20 30 BCEDRO CC#CCC[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000156850826 384989752 /nfs/dbraw/zinc/98/97/52/384989752.db2.gz ZXSBYCPSVGCADY-SNVBAGLBSA-N 1 0 230.333 0.023 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)nn1 ZINC000648148560 385001702 /nfs/dbraw/zinc/00/17/02/385001702.db2.gz OXDMHHMXAHAVMG-UWVGGRQHSA-N 1 0 249.318 0.321 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[NH2+]C2(C)C)nn1 ZINC000648148675 385012358 /nfs/dbraw/zinc/01/23/58/385012358.db2.gz WAXDWTGYHAEIMK-SNVBAGLBSA-N 1 0 249.318 0.334 20 30 BCEDRO C[NH+](C)C1CCN(CCOCCC#N)CC1 ZINC000338905915 384961478 /nfs/dbraw/zinc/96/14/78/384961478.db2.gz SSUOWUKMUDVXBP-UHFFFAOYSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCC[C@@H]([NH+](C)C)C1 ZINC000245809762 385061641 /nfs/dbraw/zinc/06/16/41/385061641.db2.gz OINQZJGJCUZITA-VXGBXAGGSA-N 1 0 239.363 0.703 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000646911934 385066352 /nfs/dbraw/zinc/06/63/52/385066352.db2.gz KAKJWTWUZYHTRL-LOWVWBTDSA-N 1 0 238.331 0.476 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000646911935 385067181 /nfs/dbraw/zinc/06/71/81/385067181.db2.gz KAKJWTWUZYHTRL-MDZLAQPJSA-N 1 0 238.331 0.476 20 30 BCEDRO CNC(=O)CC[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000408380518 385070689 /nfs/dbraw/zinc/07/06/89/385070689.db2.gz AEZGGFMIPFBHPK-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](Nc2cc(C#N)ncn2)C1 ZINC000559513303 385029699 /nfs/dbraw/zinc/02/96/99/385029699.db2.gz APHZNAQZNBQKOI-SNVBAGLBSA-N 1 0 247.302 0.481 20 30 BCEDRO C#CCSCCNC(N[C@@H]1C[C@@H]1C)=[NH+]C ZINC000129087481 385108474 /nfs/dbraw/zinc/10/84/74/385108474.db2.gz QVDZZCOKFNPNPZ-VHSXEESVSA-N 1 0 225.361 0.926 20 30 BCEDRO CN1CCOC[C@H]1C[NH2+]Cc1ccc(C#N)cc1 ZINC000599003931 385087656 /nfs/dbraw/zinc/08/76/56/385087656.db2.gz MRZCCVXCCIVGHI-CQSZACIVSA-N 1 0 245.326 0.978 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000559636964 385089075 /nfs/dbraw/zinc/08/90/75/385089075.db2.gz SAZHXTMIFHHVIH-RYUDHWBXSA-N 1 0 240.347 0.866 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C(CC)(CC)CCO ZINC000491202587 385100959 /nfs/dbraw/zinc/10/09/59/385100959.db2.gz OUDQPPBWNLERKI-UHFFFAOYSA-N 1 0 240.347 0.657 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000647018408 385144031 /nfs/dbraw/zinc/14/40/31/385144031.db2.gz IMKVQUCYDQXOGY-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647012243 385146433 /nfs/dbraw/zinc/14/64/33/385146433.db2.gz QSNMJRLAWIPOPV-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccn[nH]1 ZINC000293899296 533107256 /nfs/dbraw/zinc/10/72/56/533107256.db2.gz FCHLKPURLBPOBW-UHFFFAOYSA-N 1 0 220.276 0.095 20 30 BCEDRO CC#CCN1CCN(CC(=O)N2CCCC2)CC1 ZINC000157429361 385178072 /nfs/dbraw/zinc/17/80/72/385178072.db2.gz IWJZWOLLRUDHOT-UHFFFAOYSA-N 1 0 249.358 0.250 20 30 BCEDRO C#CC[N@@H+](C)CCCNc1nccc(OC)n1 ZINC000292833310 533108907 /nfs/dbraw/zinc/10/89/07/533108907.db2.gz PXTPFHSAKFIDJY-UHFFFAOYSA-N 1 0 234.303 0.852 20 30 BCEDRO C[C@H](O)CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189595041 385220112 /nfs/dbraw/zinc/22/01/12/385220112.db2.gz ACQNECZQWZOUCG-VIFPVBQESA-N 1 0 207.277 0.757 20 30 BCEDRO C=CCOCC(=O)NC[C@H]([NH3+])C(C)C ZINC000308860494 385223204 /nfs/dbraw/zinc/22/32/04/385223204.db2.gz VCFPUDRUNUUYFR-VIFPVBQESA-N 1 0 200.282 0.289 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000177511794 385257612 /nfs/dbraw/zinc/25/76/12/385257612.db2.gz JIUQIQFSDFFESV-JTQLQIEISA-N 1 0 240.372 0.952 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)Cc1ccc(C#N)cc1 ZINC000289754911 385245619 /nfs/dbraw/zinc/24/56/19/385245619.db2.gz KIAAZFWXSKGKTJ-LLVKDONJSA-N 1 0 234.299 0.733 20 30 BCEDRO Cc1[nH]nc(NC(=O)C[N@@H+](C)C(C)C)c1C#N ZINC000287959879 385252906 /nfs/dbraw/zinc/25/29/06/385252906.db2.gz INAJWUUYWUXCIN-UHFFFAOYSA-N 1 0 235.291 0.869 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000644732382 385291790 /nfs/dbraw/zinc/29/17/90/385291790.db2.gz IIVNQOGOMRXEFG-AGIUHOORSA-N 1 0 224.348 0.949 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1cnnn1C ZINC000308919103 385292644 /nfs/dbraw/zinc/29/26/44/385292644.db2.gz IEYUZWRJXKLHMT-VIFPVBQESA-N 1 0 210.281 0.089 20 30 BCEDRO C#CC[N@@H+](CC1CCS(=O)(=O)CC1)C1CC1 ZINC000491276228 385296489 /nfs/dbraw/zinc/29/64/89/385296489.db2.gz IEHRVDUEDDDYBC-UHFFFAOYSA-N 1 0 241.356 0.909 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@@H+]1CCC[C@H]1C ZINC000247526064 385346997 /nfs/dbraw/zinc/34/69/97/385346997.db2.gz NVNDKRJUDJIVQA-NXEZZACHSA-N 1 0 239.319 0.871 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@H](C)C#N ZINC000309104770 385424324 /nfs/dbraw/zinc/42/43/24/385424324.db2.gz LJGCYTKSZZOMLN-NXEZZACHSA-N 1 0 211.309 0.991 20 30 BCEDRO CCNC(=O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000309066459 385392003 /nfs/dbraw/zinc/39/20/03/385392003.db2.gz ZSDAMIXETNMPIE-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCN(CC=C)C(=O)c1cn(CCC[NH3+])nn1 ZINC000644042965 385393301 /nfs/dbraw/zinc/39/33/01/385393301.db2.gz GUEPSUQJCLZZLD-UHFFFAOYSA-N 1 0 249.318 0.441 20 30 BCEDRO C=CCCCC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000178720045 385416205 /nfs/dbraw/zinc/41/62/05/385416205.db2.gz VWPDZIMDVZSARC-LBPRGKRZSA-N 1 0 228.336 0.772 20 30 BCEDRO C#C[C@@H](CC)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000491663453 385417040 /nfs/dbraw/zinc/41/70/40/385417040.db2.gz MWHGOFSUUDZYBT-NSHDSACASA-N 1 0 248.330 0.586 20 30 BCEDRO OC[C@]1(O)CCC[N@H+](CC#Cc2ccccc2)C1 ZINC000313683306 385443081 /nfs/dbraw/zinc/44/30/81/385443081.db2.gz PAODWBJCGCJRPO-HNNXBMFYSA-N 1 0 245.322 0.857 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000616234426 385445381 /nfs/dbraw/zinc/44/53/81/385445381.db2.gz VAOAFADPAJFWJW-DGCLKSJQSA-N 1 0 240.347 0.772 20 30 BCEDRO CN(C)C(=[NH2+])NCCNC(=O)c1ccccc1 ZINC000170910385 385454561 /nfs/dbraw/zinc/45/45/61/385454561.db2.gz QSTIDRULYDZXMI-UHFFFAOYSA-N 1 0 234.303 0.293 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000170909549 385454833 /nfs/dbraw/zinc/45/48/33/385454833.db2.gz VVXVKRZDWAGANN-SNVBAGLBSA-N 1 0 233.319 0.902 20 30 BCEDRO CN(C)C(=[NH2+])NCCOc1ccccc1 ZINC000170906268 385455089 /nfs/dbraw/zinc/45/50/89/385455089.db2.gz YJAFURYNIQIFPH-UHFFFAOYSA-N 1 0 207.277 0.942 20 30 BCEDRO [NH2+]=C(NC[C@H](O)c1ccccc1)N1CCOCC1 ZINC000170905403 385455245 /nfs/dbraw/zinc/45/52/45/385455245.db2.gz VNAUOKLAFXGILL-LBPRGKRZSA-N 1 0 249.314 0.367 20 30 BCEDRO CN(C)C(=[NH2+])NCC(=O)N(C)Cc1ccccc1 ZINC000170913581 385456931 /nfs/dbraw/zinc/45/69/31/385456931.db2.gz QFLVTKCKRQTWCD-UHFFFAOYSA-N 1 0 248.330 0.521 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000309121503 385427707 /nfs/dbraw/zinc/42/77/07/385427707.db2.gz OASDTGZQZOBQDU-AXFHLTTASA-N 1 0 210.321 0.748 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000644079282 385430031 /nfs/dbraw/zinc/43/00/31/385430031.db2.gz XVSGLQHHAYJDIW-NSHDSACASA-N 1 0 226.320 0.695 20 30 BCEDRO C#C[C@@H]1COCCN1CC[C@H]1CCCO1 ZINC000491371133 385430124 /nfs/dbraw/zinc/43/01/24/385430124.db2.gz CSGVUDDKRZEXSS-VXGBXAGGSA-N 1 0 209.289 0.890 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000644086907 385438067 /nfs/dbraw/zinc/43/80/67/385438067.db2.gz AEAMRCYOAKDUHN-PHIMTYICSA-N 1 0 226.320 0.788 20 30 BCEDRO CNC(NCCc1cccc(C(N)=O)c1)=[NH+]C ZINC000171043096 385464956 /nfs/dbraw/zinc/46/49/56/385464956.db2.gz SQSWVFMWWXPJDC-UHFFFAOYSA-N 1 0 234.303 0.123 20 30 BCEDRO C=CCCCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000448376539 385471007 /nfs/dbraw/zinc/47/10/07/385471007.db2.gz PVLVGXJOLPWRRS-GFCCVEGCSA-N 1 0 241.335 0.318 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000644100150 385474573 /nfs/dbraw/zinc/47/45/73/385474573.db2.gz NDSIJEORLSLUQL-WDEREUQCSA-N 1 0 226.320 0.775 20 30 BCEDRO NC(=[NH2+])NCCSCC(F)(F)F ZINC000308194815 385481256 /nfs/dbraw/zinc/48/12/56/385481256.db2.gz RIUUBJKCIMVRCO-UHFFFAOYSA-N 1 0 201.217 0.555 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)[C@H](C)C#N ZINC000309195200 385459407 /nfs/dbraw/zinc/45/94/07/385459407.db2.gz DFPUNHBULZRZQD-NXEZZACHSA-N 1 0 247.364 0.547 20 30 BCEDRO C#CCNC(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000491372215 385460516 /nfs/dbraw/zinc/46/05/16/385460516.db2.gz IPKFHMDFGIJHII-NSHDSACASA-N 1 0 223.320 0.651 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000644115025 385492091 /nfs/dbraw/zinc/49/20/91/385492091.db2.gz LBKUXDBKERKVLI-WDEREUQCSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000644128069 385508186 /nfs/dbraw/zinc/50/81/86/385508186.db2.gz FFLDKDNQPTXCQN-ZDUSSCGKSA-N 1 0 238.331 0.791 20 30 BCEDRO C#CCN(C)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491695558 385519753 /nfs/dbraw/zinc/51/97/53/385519753.db2.gz CMGHXGGHPDDLGU-LLVKDONJSA-N 1 0 235.331 0.745 20 30 BCEDRO C[C@@H](CNc1nccc(C#N)n1)C[NH+](C)C ZINC000295642670 385528021 /nfs/dbraw/zinc/52/80/21/385528021.db2.gz DWDLNEAXBZJRQW-VIFPVBQESA-N 1 0 219.292 0.958 20 30 BCEDRO C#CCN(CC#N)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000377021907 533127273 /nfs/dbraw/zinc/12/72/73/533127273.db2.gz XBHRVAJBYCYAMH-UONOGXRCSA-N 1 0 246.358 0.919 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1c[nH]ccc1=O ZINC000594440257 385601810 /nfs/dbraw/zinc/60/18/10/385601810.db2.gz BCRMUONWMFAURR-SECBINFHSA-N 1 0 248.286 0.725 20 30 BCEDRO CN(C1CC[NH+](C)CC1)S(=O)(=O)CCC#N ZINC000408193979 385680734 /nfs/dbraw/zinc/68/07/34/385680734.db2.gz VGBZVHFBWOUEBU-UHFFFAOYSA-N 1 0 245.348 0.256 20 30 BCEDRO C#CCNC(NC[C@](C)(O)c1ccco1)=[NH+]CC ZINC000262364902 533142760 /nfs/dbraw/zinc/14/27/60/533142760.db2.gz JCHCFRBRQJSNQV-ZDUSSCGKSA-N 1 0 249.314 0.675 20 30 BCEDRO C#CCNC(NC[C@@H]1CCCS1)=[NH+]C ZINC000262007373 533140830 /nfs/dbraw/zinc/14/08/30/533140830.db2.gz VXNSFIAMUXMBDH-VIFPVBQESA-N 1 0 211.334 0.680 20 30 BCEDRO CC[N@@H+]1CCCC[C@@H]1CNC(=O)CC#N ZINC000185872979 385742683 /nfs/dbraw/zinc/74/26/83/385742683.db2.gz OMCKOMFJSLWJBE-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO COC(=O)[C@@]1(NCCCCC#N)CCOC1 ZINC000309625221 385753310 /nfs/dbraw/zinc/75/33/10/385753310.db2.gz GFMQEONJJKYXFP-LLVKDONJSA-N 1 0 226.276 0.602 20 30 BCEDRO CCN(CCO)CC(=O)Nc1ccc(C#N)cc1 ZINC000024670966 385762076 /nfs/dbraw/zinc/76/20/76/385762076.db2.gz AVHNLXOMKOYQQF-UHFFFAOYSA-N 1 0 247.298 0.811 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCC(=O)NC2)C1 ZINC000309593645 385722458 /nfs/dbraw/zinc/72/24/58/385722458.db2.gz TUTVERQVUYAWLK-MXWKQRLJSA-N 1 0 221.304 0.937 20 30 BCEDRO N#CC1(C(=O)NCCC2(C[NH3+])CC2)CCC1 ZINC000602517664 385800060 /nfs/dbraw/zinc/80/00/60/385800060.db2.gz JABBSVFWVFTWPN-UHFFFAOYSA-N 1 0 221.304 0.925 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(C)(CO)CC1 ZINC000186897456 385812211 /nfs/dbraw/zinc/81/22/11/385812211.db2.gz JKSUVHVPWFPPQG-UHFFFAOYSA-N 1 0 226.320 0.383 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc([C@@H]([NH3+])CC)nn1 ZINC000603233679 385845845 /nfs/dbraw/zinc/84/58/45/385845845.db2.gz JSXQJZQRORDXMH-IONNQARKSA-N 1 0 224.264 0.588 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NOC(C)C)CC1 ZINC000295488291 533147477 /nfs/dbraw/zinc/14/74/77/533147477.db2.gz FHSLQGNHCQHONI-UHFFFAOYSA-N 1 0 224.304 0.788 20 30 BCEDRO C[C@@H]1C[C@@H](N(C)CC(=O)NCC#N)CC[N@@H+]1C ZINC000123470591 385884561 /nfs/dbraw/zinc/88/45/61/385884561.db2.gz NPQKSVCRUIPLDP-MNOVXSKESA-N 1 0 238.335 0.041 20 30 BCEDRO Cc1cc(C#N)nc(N2C[C@@H](C)[NH2+][C@@H](C)C2)n1 ZINC000231924084 385885942 /nfs/dbraw/zinc/88/59/42/385885942.db2.gz QYCQNWCBQIJERV-AOOOYVTPSA-N 1 0 231.303 0.843 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1ccc(C#N)cn1 ZINC000265041368 385896278 /nfs/dbraw/zinc/89/62/78/385896278.db2.gz NHIXQHVYGSRQJV-NSHDSACASA-N 1 0 220.276 0.729 20 30 BCEDRO N#Cc1cncc(N2CCC[C@]3(CC[NH2+]C3)C2)n1 ZINC000572404354 385912422 /nfs/dbraw/zinc/91/24/22/385912422.db2.gz HQPGMDZBFZPOLO-CYBMUJFWSA-N 1 0 243.314 0.928 20 30 BCEDRO C=CCn1cc(C(=O)N2CCC[C@@H]2C[NH2+]C)nn1 ZINC000647858614 385913724 /nfs/dbraw/zinc/91/37/24/385913724.db2.gz JTWCIGQHBCNAEI-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1nccnc1C#N ZINC000265059084 385915404 /nfs/dbraw/zinc/91/54/04/385915404.db2.gz SAPNCYIOVFKURE-JTQLQIEISA-N 1 0 221.264 0.124 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@H]([NH3+])C(C)C)nn1 ZINC000647824951 385866367 /nfs/dbraw/zinc/86/63/67/385866367.db2.gz HXIRUURTFULGCO-VIFPVBQESA-N 1 0 237.307 0.177 20 30 BCEDRO C[N@H+](CCNc1nccc(C#N)n1)C1CC1 ZINC000231900953 385872875 /nfs/dbraw/zinc/87/28/75/385872875.db2.gz LOXNSLSCQDKENX-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000643253728 385990249 /nfs/dbraw/zinc/99/02/49/385990249.db2.gz CVELMTDEHBWTDL-WOPDTQHZSA-N 1 0 213.321 0.874 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000643387574 385948506 /nfs/dbraw/zinc/94/85/06/385948506.db2.gz UJQIQDFMFRWLFB-UWVGGRQHSA-N 1 0 235.274 0.873 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCNC(=O)OC(C)(C)C)N1 ZINC000496693630 385949370 /nfs/dbraw/zinc/94/93/70/385949370.db2.gz VNVRYLIFVIMHMP-MRVPVSSYSA-N 1 0 242.323 0.448 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000643254191 385994176 /nfs/dbraw/zinc/99/41/76/385994176.db2.gz ACUXYRSJKBBWMD-CMPLNLGQSA-N 1 0 208.305 0.999 20 30 BCEDRO CCC1(C)C[NH+](C[C@@H](O)CN(C)CCC#N)C1 ZINC000414126686 385974830 /nfs/dbraw/zinc/97/48/30/385974830.db2.gz ORJHADYQQBUYCR-LBPRGKRZSA-N 1 0 239.363 0.925 20 30 BCEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CC#N ZINC000189455247 386008111 /nfs/dbraw/zinc/00/81/11/386008111.db2.gz PRVHRSHMDOZQAY-SNVBAGLBSA-N 1 0 211.309 0.287 20 30 BCEDRO C#CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000375814888 533156216 /nfs/dbraw/zinc/15/62/16/533156216.db2.gz NSSQTANGXMIFIC-NWDGAFQWSA-N 1 0 208.305 0.151 20 30 BCEDRO COC[C@@H](CO)[NH2+]Cc1cccc(C#N)c1 ZINC000234872131 386110107 /nfs/dbraw/zinc/11/01/07/386110107.db2.gz LLPHZRSFCRUVOI-GFCCVEGCSA-N 1 0 220.272 0.655 20 30 BCEDRO C[C@@H](CNC(=O)c1ccc(C#N)o1)[NH+](C)C ZINC000309263270 386061671 /nfs/dbraw/zinc/06/16/71/386061671.db2.gz BQXOLYKUTPXTAV-QMMMGPOBSA-N 1 0 221.260 0.831 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000187432775 386147479 /nfs/dbraw/zinc/14/74/79/386147479.db2.gz BLVTZUHELPDYOC-WDEREUQCSA-N 1 0 208.305 0.986 20 30 BCEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NCCC[NH3+] ZINC000571771889 386213258 /nfs/dbraw/zinc/21/32/58/386213258.db2.gz QBNWAXNWPROEGP-SNVBAGLBSA-N 1 0 247.298 0.791 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000347076508 386217604 /nfs/dbraw/zinc/21/76/04/386217604.db2.gz SVNDKIQDAOWVHD-WCBMZHEXSA-N 1 0 209.293 0.602 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(=C)CC1 ZINC000293019458 533162235 /nfs/dbraw/zinc/16/22/35/533162235.db2.gz ICBALLWTIIROCZ-UHFFFAOYSA-N 1 0 206.289 0.778 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[N@H+]1C ZINC000424933545 386224582 /nfs/dbraw/zinc/22/45/82/386224582.db2.gz QUKGYKXDHNBWII-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)Cc1cnccn1 ZINC000292679801 533162760 /nfs/dbraw/zinc/16/27/60/533162760.db2.gz BTPLECJOYYSRFV-UHFFFAOYSA-N 1 0 232.287 0.048 20 30 BCEDRO COCC(C)(C)[NH+]1CCN(CCC#N)CC1 ZINC000425506071 386284545 /nfs/dbraw/zinc/28/45/45/386284545.db2.gz KZCMKAUDBBTQKS-UHFFFAOYSA-N 1 0 225.336 0.943 20 30 BCEDRO N#CC1(C[NH+]2[C@@H](CO)CC[C@@H]2CO)CC1 ZINC000347297552 386299272 /nfs/dbraw/zinc/29/92/72/386299272.db2.gz WDMVBQCASODZLO-NXEZZACHSA-N 1 0 210.277 0.108 20 30 BCEDRO C=CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000416433557 386307614 /nfs/dbraw/zinc/30/76/14/386307614.db2.gz PWQNHSKSXJUBOQ-JTQLQIEISA-N 1 0 209.293 0.708 20 30 BCEDRO N#CCCC[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425527872 386318181 /nfs/dbraw/zinc/31/81/81/386318181.db2.gz BIIGXMWWBKVAPL-VIFPVBQESA-N 1 0 205.265 0.898 20 30 BCEDRO C=CCNC(=O)NC[C@@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000416445972 386322036 /nfs/dbraw/zinc/32/20/36/386322036.db2.gz NPOZDKQQNIQKBF-IUCAKERBSA-N 1 0 227.308 0.585 20 30 BCEDRO C=C(C)C[N@@H+](CC)CC(=O)NC(=O)NCC ZINC000057847819 386272124 /nfs/dbraw/zinc/27/21/24/386272124.db2.gz LZMLSZGHIKOMKR-UHFFFAOYSA-N 1 0 227.308 0.730 20 30 BCEDRO OC[C@H]1CC[C@@H](CO)[N@@H+]1CC#Cc1ccccc1 ZINC000347349630 386346045 /nfs/dbraw/zinc/34/60/45/386346045.db2.gz WHUHWASQWJPOIX-GASCZTMLSA-N 1 0 245.322 0.856 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347315795 386356259 /nfs/dbraw/zinc/35/62/59/386356259.db2.gz RQHLPSYKFUMRLU-SRVKXCTJSA-N 1 0 229.320 0.131 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cnnn1C ZINC000280742086 386374054 /nfs/dbraw/zinc/37/40/54/386374054.db2.gz WXVCSXUXDVNFKA-PWSUYJOCSA-N 1 0 236.319 0.886 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnnn1C ZINC000280742085 386374491 /nfs/dbraw/zinc/37/44/91/386374491.db2.gz WXVCSXUXDVNFKA-JQWIXIFHSA-N 1 0 236.319 0.886 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000320329261 386330335 /nfs/dbraw/zinc/33/03/35/386330335.db2.gz YRNUQSLPIDHNLK-GHMZBOCLSA-N 1 0 226.320 0.572 20 30 BCEDRO C[NH+](C)CCNc1nccc(C#N)c1[N+](=O)[O-] ZINC000160074138 386335537 /nfs/dbraw/zinc/33/55/37/386335537.db2.gz HUAPWXYHKKNINC-UHFFFAOYSA-N 1 0 235.247 0.835 20 30 BCEDRO COc1cc([C@H](C)[NH2+]CC(=O)NCC#N)ccn1 ZINC000347559883 386450408 /nfs/dbraw/zinc/45/04/08/386450408.db2.gz LLJJCTUQOVHYKY-VIFPVBQESA-N 1 0 248.286 0.381 20 30 BCEDRO CCOC1CC([N@H+](C)CC(=O)NCC#N)C1 ZINC000347406321 386390114 /nfs/dbraw/zinc/39/01/14/386390114.db2.gz AYNVDSWEMHVCII-UHFFFAOYSA-N 1 0 225.292 0.125 20 30 BCEDRO COc1cc([C@@H](C)[NH2+]CC(=O)NCC#N)ccn1 ZINC000347559881 386451252 /nfs/dbraw/zinc/45/12/52/386451252.db2.gz LLJJCTUQOVHYKY-SECBINFHSA-N 1 0 248.286 0.381 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](CCO)[C@H](C)CC)C1=O ZINC000347476534 386436213 /nfs/dbraw/zinc/43/62/13/386436213.db2.gz OMVMBOCUVUBJEY-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCSC[C@@H]1CO ZINC000347481550 386436315 /nfs/dbraw/zinc/43/63/15/386436315.db2.gz OZCRWTUSCHSZEX-QWRGUYRKSA-N 1 0 231.361 0.723 20 30 BCEDRO CC#CC[C@H](CO)Nc1ncnc2c1cnn2C ZINC000645404268 386471257 /nfs/dbraw/zinc/47/12/57/386471257.db2.gz ZWBVPROLOVKLQX-SECBINFHSA-N 1 0 245.286 0.550 20 30 BCEDRO C=CCSCCNC(=O)N[C@H](C)CC[NH3+] ZINC000417345161 386485506 /nfs/dbraw/zinc/48/55/06/386485506.db2.gz REDKZQVFWXCLRM-SECBINFHSA-N 1 0 231.365 0.942 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]([C@@H](C)[NH3+])C2)C1=O ZINC000519607226 386502970 /nfs/dbraw/zinc/50/29/70/386502970.db2.gz PMDBYYQOTWCZET-UTUOFQBUSA-N 1 0 237.347 0.442 20 30 BCEDRO C=CCCN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000335453644 386527983 /nfs/dbraw/zinc/52/79/83/386527983.db2.gz CNGMULJLHLPTRG-NSHDSACASA-N 1 0 223.276 0.237 20 30 BCEDRO C=CCCOCCNC(=O)NCCC[NH2+]C ZINC000417921941 386459867 /nfs/dbraw/zinc/45/98/67/386459867.db2.gz BPTFGMGIYQWNSK-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C[C@H](O)[C@H]1C[C@H](C)CC[N@@H+]1CC(=O)NCC#N ZINC000408432110 386585879 /nfs/dbraw/zinc/58/58/79/386585879.db2.gz DHKUIKWWDJWVNS-OUAUKWLOSA-N 1 0 239.319 0.107 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CC1(O)CCCC1 ZINC000124231667 386586196 /nfs/dbraw/zinc/58/61/96/386586196.db2.gz WWDQBNNZSUPGHF-NSHDSACASA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)NCC#N ZINC000408432111 386586195 /nfs/dbraw/zinc/58/61/95/386586195.db2.gz DHKUIKWWDJWVNS-VWYCJHECSA-N 1 0 239.319 0.107 20 30 BCEDRO C[C@@H](CNC(=O)CC#N)C[NH+]1CCCC1 ZINC000062079051 386561472 /nfs/dbraw/zinc/56/14/72/386561472.db2.gz WWVRFRQBKWVCDN-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H](O)[C@H](OC)C1 ZINC000451754602 386566494 /nfs/dbraw/zinc/56/64/94/386566494.db2.gz DNANFSLOLSANJR-HBNTYKKESA-N 1 0 215.293 0.005 20 30 BCEDRO O=C(N[C@H]1CC[N@@H+](C2CC2)C1)c1cnc[nH]1 ZINC000328727460 386619844 /nfs/dbraw/zinc/61/98/44/386619844.db2.gz GIQODNFQWATRFV-QMMMGPOBSA-N 1 0 220.276 0.951 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000295466686 533182074 /nfs/dbraw/zinc/18/20/74/533182074.db2.gz YQKBKNMVTOXOFT-GHMZBOCLSA-N 1 0 226.320 0.339 20 30 BCEDRO COCC#CCN1CC[N@H+](C)C[C@H]1C(C)C ZINC000644937592 386625361 /nfs/dbraw/zinc/62/53/61/386625361.db2.gz DDHOKMBMHROQHG-ZDUSSCGKSA-N 1 0 224.348 0.908 20 30 BCEDRO C[N@H+](CCOCCC#N)CCN1CCCC1=O ZINC000520259087 386631184 /nfs/dbraw/zinc/63/11/84/386631184.db2.gz UMZGIBIODZPZFC-UHFFFAOYSA-N 1 0 239.319 0.471 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](C)[C@H]1C ZINC000292758698 386644108 /nfs/dbraw/zinc/64/41/08/386644108.db2.gz IRIGFTJPTOIPGL-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000293101609 386650424 /nfs/dbraw/zinc/65/04/24/386650424.db2.gz XVCFPWAFYQJUNE-GFCCVEGCSA-N 1 0 234.303 0.431 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCc3ncnn3C2)C1 ZINC000328710604 386612702 /nfs/dbraw/zinc/61/27/02/386612702.db2.gz BTPJQZNDNPHSNJ-OUAUKWLOSA-N 1 0 231.303 0.875 20 30 BCEDRO C[N@H+]1CC=C(CNC(=O)CCn2ccnn2)CC1 ZINC000328732131 386617775 /nfs/dbraw/zinc/61/77/75/386617775.db2.gz GZIRLHDOPBZSBJ-UHFFFAOYSA-N 1 0 249.318 0.887 20 30 BCEDRO O=C(NCC[NH+]1CCC1)[C@@H]1CCc2n[nH]nc2C1 ZINC000328973435 386665635 /nfs/dbraw/zinc/66/56/35/386665635.db2.gz PGWRITGULUZIGQ-SECBINFHSA-N 1 0 249.318 0.572 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1(COC)CCOCC1 ZINC000647951902 386666495 /nfs/dbraw/zinc/66/64/95/386666495.db2.gz DBUXTGIIMGNEDM-UHFFFAOYSA-N 1 0 242.319 0.074 20 30 BCEDRO Cn1cc(CC[NH2+]Cc2cc(C#N)n(C)c2)cn1 ZINC000232315580 386677833 /nfs/dbraw/zinc/67/78/33/386677833.db2.gz PHFBZJJHZNWBKL-UHFFFAOYSA-N 1 0 243.314 0.963 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@H](C)C(=O)OC ZINC000050068969 386683504 /nfs/dbraw/zinc/68/35/04/386683504.db2.gz QBUNBFMTVYJHOW-UWVGGRQHSA-N 1 0 242.319 0.418 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000050068971 386684645 /nfs/dbraw/zinc/68/46/45/386684645.db2.gz QBUNBFMTVYJHOW-ZJUUUORDSA-N 1 0 242.319 0.418 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@H+](CCOCC(C)C)C1 ZINC000330411101 386707444 /nfs/dbraw/zinc/70/74/44/386707444.db2.gz RUPVUOGFAGRQKV-LLVKDONJSA-N 1 0 243.351 0.867 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)COC(F)F)CC1 ZINC000520625765 386707730 /nfs/dbraw/zinc/70/77/30/386707730.db2.gz KIOJNBQYEQOVKV-UHFFFAOYSA-N 1 0 247.245 0.330 20 30 BCEDRO CC[NH+]1CCC(NC(=O)NC[C@H](C)CO)CC1 ZINC000330480886 386733324 /nfs/dbraw/zinc/73/33/24/386733324.db2.gz SVNNAVWPHJGHFQ-JTQLQIEISA-N 1 0 243.351 0.603 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@](C)(COC)C1 ZINC000647907986 386713197 /nfs/dbraw/zinc/71/31/97/386713197.db2.gz IMLKIFBTHKKNIP-LBPRGKRZSA-N 1 0 211.305 0.995 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](CO)[C@H]1CCOC1 ZINC000279974673 386762244 /nfs/dbraw/zinc/76/22/44/386762244.db2.gz DVHDTHWPYVFXOC-QWRGUYRKSA-N 1 0 241.335 0.112 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000125208664 386762543 /nfs/dbraw/zinc/76/25/43/386762543.db2.gz VJYOFJLKZMCQEO-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](CO)[C@H]1CCOC1 ZINC000279976280 386762953 /nfs/dbraw/zinc/76/29/53/386762953.db2.gz DVHDTHWPYVFXOC-WDEREUQCSA-N 1 0 241.335 0.112 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000166224105 386765567 /nfs/dbraw/zinc/76/55/67/386765567.db2.gz IKNWPIRIOVCHPZ-VWYCJHECSA-N 1 0 225.336 0.346 20 30 BCEDRO C=CCCC[C@H](C)NC(=O)N(CC[NH3+])CCO ZINC000417983196 386793417 /nfs/dbraw/zinc/79/34/17/386793417.db2.gz NTJSAFFTDANVPE-NSHDSACASA-N 1 0 243.351 0.694 20 30 BCEDRO CCN(CCC#N)C(=O)[C@@H]1C[C@H](OC)C[N@@H+]1C ZINC000330538082 386779664 /nfs/dbraw/zinc/77/96/64/386779664.db2.gz FWWNBQNKJUSSQC-QWRGUYRKSA-N 1 0 239.319 0.468 20 30 BCEDRO C[C@H](CO)CNC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000330566239 386789254 /nfs/dbraw/zinc/78/92/54/386789254.db2.gz AUMLRAGUKZIHEP-AXFHLTTASA-N 1 0 243.351 0.601 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccnnc1 ZINC000330670021 386820470 /nfs/dbraw/zinc/82/04/70/386820470.db2.gz DIAUENMBQAWSBC-QMMMGPOBSA-N 1 0 208.265 0.731 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000330576809 386797656 /nfs/dbraw/zinc/79/76/56/386797656.db2.gz RHLUEBBEAOWIOQ-OPRDCNLKSA-N 1 0 239.319 0.780 20 30 BCEDRO CCN(CCO)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000330594608 386806277 /nfs/dbraw/zinc/80/62/77/386806277.db2.gz AZHZMPZETUBHJX-MNOVXSKESA-N 1 0 243.351 0.697 20 30 BCEDRO C[C@H](CCO)NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000330594095 386806728 /nfs/dbraw/zinc/80/67/28/386806728.db2.gz AXLKYYRFXWLGQC-MXWKQRLJSA-N 1 0 243.351 0.744 20 30 BCEDRO COCC[N@@H+]1CC[C@H](NC(=O)C(C)(C)C#N)C1 ZINC000330644707 386810940 /nfs/dbraw/zinc/81/09/40/386810940.db2.gz KQMXHAQIQGSSFF-JTQLQIEISA-N 1 0 239.319 0.373 20 30 BCEDRO COCC1(C)CC[NH+](CC(=O)NCC#N)CC1 ZINC000330636502 386827577 /nfs/dbraw/zinc/82/75/77/386827577.db2.gz BJWYQEGXHREGFT-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO CC[C@@H]([NH2+]CC(=O)NCC#N)C1CCOCC1 ZINC000330684073 386830047 /nfs/dbraw/zinc/83/00/47/386830047.db2.gz JLHIROQUXPUQAF-LLVKDONJSA-N 1 0 239.319 0.421 20 30 BCEDRO CN(C)C(=O)NCCN(C)Cc1ccn(C)n1 ZINC000330700197 386835288 /nfs/dbraw/zinc/83/52/88/386835288.db2.gz NBBUVRPNTAWGNV-UHFFFAOYSA-N 1 0 239.323 0.328 20 30 BCEDRO C=C(C)COCCNC(=O)NCC(C)(C)[NH3+] ZINC000417879809 386838517 /nfs/dbraw/zinc/83/85/17/386838517.db2.gz BPAMPCQHYQDVHG-UHFFFAOYSA-N 1 0 229.324 0.616 20 30 BCEDRO C=CCn1cc(C[NH2+]CC[C@@H]2CCOC2)nn1 ZINC000425346598 386858788 /nfs/dbraw/zinc/85/87/88/386858788.db2.gz BSENZUUHXACEKY-LLVKDONJSA-N 1 0 236.319 0.980 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)c1ccc(=O)[nH]n1 ZINC000286121637 533202037 /nfs/dbraw/zinc/20/20/37/533202037.db2.gz NPZOENFHTUMISB-VIFPVBQESA-N 1 0 237.328 0.787 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](C(=O)N2CCCC2)C1 ZINC000335761783 386901171 /nfs/dbraw/zinc/90/11/71/386901171.db2.gz CJTSUOOETNSMHF-GFCCVEGCSA-N 1 0 220.316 0.954 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)NC[C@H](C)[NH+](C)C ZINC000645526736 386947597 /nfs/dbraw/zinc/94/75/97/386947597.db2.gz DIKMIMDBRJWPLY-WDEREUQCSA-N 1 0 241.335 0.010 20 30 BCEDRO C=C[C@@H](CO)NC(=O)CC[N@H+]1CCCC[C@@H]1C ZINC000331142181 386972669 /nfs/dbraw/zinc/97/26/69/386972669.db2.gz KXZMYBDYJBTXDB-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO CC#CCCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000418028750 387038519 /nfs/dbraw/zinc/03/85/19/387038519.db2.gz KQMQIYOMKCONEL-JTQLQIEISA-N 1 0 211.309 0.826 20 30 BCEDRO CC#CCCNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000418034803 387060373 /nfs/dbraw/zinc/06/03/73/387060373.db2.gz TYAVKDVWSLZXBV-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000418024199 387023077 /nfs/dbraw/zinc/02/30/77/387023077.db2.gz DCBWLKASOPOWDI-GHMZBOCLSA-N 1 0 223.320 0.779 20 30 BCEDRO C=CCCCCNC(=O)N(CC[NH3+])CCO ZINC000418038721 387066253 /nfs/dbraw/zinc/06/62/53/387066253.db2.gz SQPGIACMQZLIMB-UHFFFAOYSA-N 1 0 229.324 0.305 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)N(CC[NH3+])CCO ZINC000418151328 387179477 /nfs/dbraw/zinc/17/94/77/387179477.db2.gz SMMMLJPSPCXXAS-SNVBAGLBSA-N 1 0 229.324 0.304 20 30 BCEDRO C=CC[C@H](CC)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418151878 387182237 /nfs/dbraw/zinc/18/22/37/387182237.db2.gz TYPQFVREYNWNMF-WDEREUQCSA-N 1 0 241.335 0.629 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCCSCC1 ZINC000089983852 387189108 /nfs/dbraw/zinc/18/91/08/387189108.db2.gz QIALXNRUQZKSRB-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO CN1C(=O)C[C@@H]([NH+]2CCC(CCC#N)CC2)C1=O ZINC000514790504 387292737 /nfs/dbraw/zinc/29/27/37/387292737.db2.gz YCBGNEKDICIJFL-LLVKDONJSA-N 1 0 249.314 0.759 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C(C)(C)C ZINC000514860244 387296665 /nfs/dbraw/zinc/29/66/65/387296665.db2.gz BDKKBUGCDJUKML-UHFFFAOYSA-N 1 0 227.308 0.729 20 30 BCEDRO C=CCOc1cccnc1C(=O)NC[C@H](C)C[NH3+] ZINC000423459197 387305710 /nfs/dbraw/zinc/30/57/10/387305710.db2.gz QXLLAMSYWSCFNF-SNVBAGLBSA-N 1 0 249.314 0.971 20 30 BCEDRO C=CCOCCC[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000572375696 387354255 /nfs/dbraw/zinc/35/42/55/387354255.db2.gz UENGFJCGKKOMBL-RYUDHWBXSA-N 1 0 228.336 0.186 20 30 BCEDRO Cn1cc(C[N@@H+]2CC[C@@H](O)C2)cc1C#N ZINC000191211624 387354898 /nfs/dbraw/zinc/35/48/98/387354898.db2.gz KTNCEWRGYAZWHL-LLVKDONJSA-N 1 0 205.261 0.463 20 30 BCEDRO C[C@@H]([NH3+])C(=O)NCc1ccc(CC#N)cc1 ZINC000515848365 387435093 /nfs/dbraw/zinc/43/50/93/387435093.db2.gz GZCDTUGVHUGZLX-SECBINFHSA-N 1 0 217.272 0.716 20 30 BCEDRO C=CCOCC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000423947243 387454864 /nfs/dbraw/zinc/45/48/64/387454864.db2.gz VXDDNPDVMHKKKT-LLVKDONJSA-N 1 0 226.320 0.823 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000052092946 387458608 /nfs/dbraw/zinc/45/86/08/387458608.db2.gz FJUAINQUODMPRY-NSHDSACASA-N 1 0 215.256 0.650 20 30 BCEDRO C=CCCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000264701055 387392851 /nfs/dbraw/zinc/39/28/51/387392851.db2.gz DEVOSTBHYREFTQ-LLVKDONJSA-N 1 0 225.336 0.315 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CSC ZINC000515650310 387414417 /nfs/dbraw/zinc/41/44/17/387414417.db2.gz REUUXGPCMMWNHB-DTWKUNHWSA-N 1 0 205.323 0.237 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N[C@H](C#N)C2CC2)C1 ZINC000515667561 387416222 /nfs/dbraw/zinc/41/62/22/387416222.db2.gz NEEYQCMAWALSGT-MWLCHTKSSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@H](O)C[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000051819948 387421108 /nfs/dbraw/zinc/42/11/08/387421108.db2.gz LWNXRPAUIMMFEG-MFKMUULPSA-N 1 0 234.299 0.904 20 30 BCEDRO C=CCOCC(=O)NCCC[NH2+]C1CC1 ZINC000516293068 387497085 /nfs/dbraw/zinc/49/70/85/387497085.db2.gz CEJBNZDXMAOYTO-UHFFFAOYSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361572243 387500159 /nfs/dbraw/zinc/50/01/59/387500159.db2.gz RGVWHYBMEXNGMK-GFCCVEGCSA-N 1 0 226.320 0.776 20 30 BCEDRO C=CCCOCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000417966539 387501024 /nfs/dbraw/zinc/50/10/24/387501024.db2.gz SXKMJAKTUMJCKX-LLVKDONJSA-N 1 0 241.335 0.712 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1COC(C)(C)C1 ZINC000396858741 387504976 /nfs/dbraw/zinc/50/49/76/387504976.db2.gz SSYWGJVQDHOGTF-VIFPVBQESA-N 1 0 212.293 0.446 20 30 BCEDRO CC#CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000275377480 387506265 /nfs/dbraw/zinc/50/62/65/387506265.db2.gz AHKNNWWZUHRPRY-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C[C@H](C#N)C[N@H+](C)CCCC(=O)N(C)C ZINC000043453344 387510983 /nfs/dbraw/zinc/51/09/83/387510983.db2.gz DPFCQJXHYXJJHW-SNVBAGLBSA-N 1 0 211.309 0.946 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)NC[C@H]1CCCCO1 ZINC000424105615 387528622 /nfs/dbraw/zinc/52/86/22/387528622.db2.gz VRZAERWAHLYGQZ-GHMZBOCLSA-N 1 0 239.319 0.693 20 30 BCEDRO COC[C@@H](C)CNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424108433 387529265 /nfs/dbraw/zinc/52/92/65/387529265.db2.gz QQMQRYIBATUYST-UWVGGRQHSA-N 1 0 227.308 0.406 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000648084730 387532856 /nfs/dbraw/zinc/53/28/56/387532856.db2.gz SEKXREDMNCQZBV-RKDXNWHRSA-N 1 0 234.303 0.791 20 30 BCEDRO COCC(C)(C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424109091 387534163 /nfs/dbraw/zinc/53/41/63/387534163.db2.gz AMYCKIGLVAPSNE-VIFPVBQESA-N 1 0 227.308 0.549 20 30 BCEDRO CC#CC(=O)NCC[N@@H+](C)CCCOC ZINC000277676193 387538134 /nfs/dbraw/zinc/53/81/34/387538134.db2.gz MRROQVZMTWYXLL-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C=CCC(CC=C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000423996900 387464747 /nfs/dbraw/zinc/46/47/47/387464747.db2.gz XQXXJLQYMFEJLA-GFCCVEGCSA-N 1 0 238.331 0.859 20 30 BCEDRO COC(=O)C[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424056909 387472211 /nfs/dbraw/zinc/47/22/11/387472211.db2.gz AGUHLKYKMSOGAB-DTWKUNHWSA-N 1 0 241.291 0.075 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH2+]C[C@H]1C ZINC000424059489 387473716 /nfs/dbraw/zinc/47/37/16/387473716.db2.gz NIPOGPFGHSFWGH-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[NH2+]CC ZINC000424073920 387477853 /nfs/dbraw/zinc/47/78/53/387477853.db2.gz GCBFAQVYZWCZKK-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO Cc1nnc(NC(=O)[C@@H]([NH3+])CCCC#N)s1 ZINC000424073335 387478419 /nfs/dbraw/zinc/47/84/19/387478419.db2.gz FDGARATYZZKHNQ-ZETCQYMHSA-N 1 0 239.304 0.806 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@](C)(O)C(=O)OCC ZINC000274582828 387479974 /nfs/dbraw/zinc/47/99/74/387479974.db2.gz IBSYIINWPZEKKX-LLVKDONJSA-N 1 0 213.277 0.256 20 30 BCEDRO CC#CCC[N@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000361562316 387493243 /nfs/dbraw/zinc/49/32/43/387493243.db2.gz HYVBSLUTBFXCDJ-VXGBXAGGSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)CC(C)C ZINC000327981334 387601367 /nfs/dbraw/zinc/60/13/67/387601367.db2.gz ADPGSWVVCNSNFK-UHFFFAOYSA-N 1 0 246.376 0.517 20 30 BCEDRO COCC[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424112756 387547947 /nfs/dbraw/zinc/54/79/47/387547947.db2.gz KSQKSRYCXZJCOT-UWVGGRQHSA-N 1 0 227.308 0.549 20 30 BCEDRO CC#CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000278303075 387551665 /nfs/dbraw/zinc/55/16/65/387551665.db2.gz HQZJOLSNNUIDSQ-NXEZZACHSA-N 1 0 206.289 0.751 20 30 BCEDRO CO[C@H](CNC(=O)[C@H]([NH3+])CCCC#N)C(C)C ZINC000424116543 387558961 /nfs/dbraw/zinc/55/89/61/387558961.db2.gz AHELUDBFJLTYBK-GHMZBOCLSA-N 1 0 241.335 0.795 20 30 BCEDRO C#Cc1ccc(CN2CCNC(=O)C2)cc1 ZINC000278911234 387559770 /nfs/dbraw/zinc/55/97/70/387559770.db2.gz JOMDBROMRICPSW-UHFFFAOYSA-N 1 0 214.268 0.600 20 30 BCEDRO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CCS1 ZINC000424118055 387560213 /nfs/dbraw/zinc/56/02/13/387560213.db2.gz ZSKWHFNSKWTSOZ-ZJUUUORDSA-N 1 0 241.360 0.971 20 30 BCEDRO CCc1cc(NC(=O)[C@H]([NH3+])CCCC#N)n(C)n1 ZINC000424132720 387636729 /nfs/dbraw/zinc/63/67/29/387636729.db2.gz WRVLENLNQIQFDT-SNVBAGLBSA-N 1 0 249.318 0.942 20 30 BCEDRO C[C@@]1(CNC(=O)[C@H]([NH3+])CCCC#N)CCCO1 ZINC000424134413 387639577 /nfs/dbraw/zinc/63/95/77/387639577.db2.gz IBRBGXOPJAAOJW-PWSUYJOCSA-N 1 0 239.319 0.693 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1COC[C@H]1OCC ZINC000451944263 387683388 /nfs/dbraw/zinc/68/33/88/387683388.db2.gz NPWJBXBJPRKFQS-HBNTYKKESA-N 1 0 242.319 0.071 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccncc1 ZINC000424139971 387690504 /nfs/dbraw/zinc/69/05/04/387690504.db2.gz RZUVBRFPYCMFHI-SNVBAGLBSA-N 1 0 218.260 0.463 20 30 BCEDRO C=CCNC(=O)CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000452117655 387746688 /nfs/dbraw/zinc/74/66/88/387746688.db2.gz OEOOSYUCUHDTAP-LBPRGKRZSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1OCC ZINC000452029724 387703509 /nfs/dbraw/zinc/70/35/09/387703509.db2.gz ZAFBGIWWVGPDHQ-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCNC(=O)C[NH2+]C(C)(C)CN1CCCC1 ZINC000452087785 387729497 /nfs/dbraw/zinc/72/94/97/387729497.db2.gz NARUPNWNYLELJD-UHFFFAOYSA-N 1 0 239.363 0.753 20 30 BCEDRO C=CCCC[N@H+]1CCN(CCO)C[C@@H]1C ZINC000452111096 387741108 /nfs/dbraw/zinc/74/11/08/387741108.db2.gz BDHDSCWHKXBQKG-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@](C)(CCO)COC ZINC000150878003 387779759 /nfs/dbraw/zinc/77/97/59/387779759.db2.gz WFLDOTIXSZZKED-RYUDHWBXSA-N 1 0 231.336 0.691 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC[C@@H](C#N)CCC#N ZINC000572870956 387786324 /nfs/dbraw/zinc/78/63/24/387786324.db2.gz OLPUWENLCAFMSX-WDEREUQCSA-N 1 0 208.309 0.970 20 30 BCEDRO CN(C(=O)[C@@H]([NH3+])CCCC#N)[C@@H]1CCSC1 ZINC000424151973 387794879 /nfs/dbraw/zinc/79/48/79/387794879.db2.gz IWNVXKLMTSRZCA-ZJUUUORDSA-N 1 0 241.360 0.971 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCN2CCOCC2)C1 ZINC000442630942 387809687 /nfs/dbraw/zinc/80/96/87/387809687.db2.gz RWNOLEXKSPTKGY-QWHCGFSZSA-N 1 0 237.347 0.991 20 30 BCEDRO C=CCN(CC=C)C(=O)NCC[NH2+]CC ZINC000418324282 387828176 /nfs/dbraw/zinc/82/81/76/387828176.db2.gz JRUQDYGRHSDMGL-UHFFFAOYSA-N 1 0 211.309 0.980 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000442789802 387842117 /nfs/dbraw/zinc/84/21/17/387842117.db2.gz HMJHAFZSDGWJEH-JGVFFNPUSA-N 1 0 249.236 0.947 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000442789801 387842170 /nfs/dbraw/zinc/84/21/70/387842170.db2.gz HMJHAFZSDGWJEH-HTQZYQBOSA-N 1 0 249.236 0.947 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@@H](C)[C@@H](C)[NH3+])nn1 ZINC000424179733 387890919 /nfs/dbraw/zinc/89/09/19/387890919.db2.gz UBFCEIWRIVZVDS-BDAKNGLRSA-N 1 0 237.307 0.320 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000424179342 387891229 /nfs/dbraw/zinc/89/12/29/387891229.db2.gz STRNIFFVGZPVAH-YTWAJWBKSA-N 1 0 226.320 0.820 20 30 BCEDRO C=C(C)CCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000452720694 387898275 /nfs/dbraw/zinc/89/82/75/387898275.db2.gz XQJZYJLAVGGINS-GFCCVEGCSA-N 1 0 237.347 0.459 20 30 BCEDRO C=CCn1cc(C[NH2+]C[C@H]2CCCOC2)nn1 ZINC000424176802 387886857 /nfs/dbraw/zinc/88/68/57/387886857.db2.gz YIQCJBAJKZCUIT-LLVKDONJSA-N 1 0 236.319 0.980 20 30 BCEDRO CNC(=[NH2+])NCc1n[nH]cc1Br ZINC000306365564 387915782 /nfs/dbraw/zinc/91/57/82/387915782.db2.gz GVELERHUBRULAT-UHFFFAOYSA-N 1 0 232.085 0.206 20 30 BCEDRO C=CCn1cc(CNC(=O)CC[C@@H](C)[NH3+])nn1 ZINC000424208835 387929912 /nfs/dbraw/zinc/92/99/12/387929912.db2.gz KVPRUAZETZWCCV-SECBINFHSA-N 1 0 237.307 0.208 20 30 BCEDRO C=CCn1cc(CNC(=O)C2([NH3+])CCCC2)nn1 ZINC000424209231 387930389 /nfs/dbraw/zinc/93/03/89/387930389.db2.gz LNDDFWXVDCDDMK-UHFFFAOYSA-N 1 0 249.318 0.352 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000424213228 387931303 /nfs/dbraw/zinc/93/13/03/387931303.db2.gz SYCRXVGTHQSCOO-SRVKXCTJSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CCC[NH2+]C1 ZINC000424212658 387931472 /nfs/dbraw/zinc/93/14/72/387931472.db2.gz PZAPAXRKJSNQIE-SRVKXCTJSA-N 1 0 238.331 0.693 20 30 BCEDRO C[C@H]([NH2+]C1CC1)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424217022 387932989 /nfs/dbraw/zinc/93/29/89/387932989.db2.gz KBILINLPXUTLBO-ATZCPNFKSA-N 1 0 221.304 0.935 20 30 BCEDRO C=CCNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000244338148 387936009 /nfs/dbraw/zinc/93/60/09/387936009.db2.gz XRYBOCIJIGEZQE-UHFFFAOYSA-N 1 0 211.309 0.908 20 30 BCEDRO CN1CC[C@H](CNC(N)=[NH2+])c2ccccc21 ZINC000195523024 387921969 /nfs/dbraw/zinc/92/19/69/387921969.db2.gz WHEILZLBBKKVBH-SECBINFHSA-N 1 0 218.304 0.884 20 30 BCEDRO C=CCOCCCC(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179084162 387925904 /nfs/dbraw/zinc/92/59/04/387925904.db2.gz JEEFNKJTJDCLFZ-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCn1cc(CNC(=O)CC2(C[NH3+])CC2)nn1 ZINC000424202855 387928899 /nfs/dbraw/zinc/92/88/99/387928899.db2.gz BATVSESNAFQLML-UHFFFAOYSA-N 1 0 249.318 0.209 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CCO)C1CCOCC1 ZINC000444777308 387929116 /nfs/dbraw/zinc/92/91/16/387929116.db2.gz ONKNJCGLIWRSLY-ZDUSSCGKSA-N 1 0 243.347 0.787 20 30 BCEDRO C=C(Cl)CNC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000158243183 387942202 /nfs/dbraw/zinc/94/22/02/387942202.db2.gz FBFXHBLLRWFFBW-MRVPVSSYSA-N 1 0 218.684 0.234 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000158391090 387963582 /nfs/dbraw/zinc/96/35/82/387963582.db2.gz WMLPYRXGWNJYFH-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)NCCC ZINC000439011603 387974856 /nfs/dbraw/zinc/97/48/56/387974856.db2.gz ZODKLGFFUINCHI-UHFFFAOYSA-N 1 0 241.379 0.952 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)NCC#N)C[C@H]1C ZINC000245930623 387994823 /nfs/dbraw/zinc/99/48/23/387994823.db2.gz PFGOQXYUSGTPCK-VHSXEESVSA-N 1 0 209.293 0.604 20 30 BCEDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000245801218 387983559 /nfs/dbraw/zinc/98/35/59/387983559.db2.gz PIOPTFFZRZSARU-NXEZZACHSA-N 1 0 227.308 0.060 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)C[NH3+] ZINC000424472327 388014407 /nfs/dbraw/zinc/01/44/07/388014407.db2.gz FAHMIVJQLLARFQ-GUBZILKMSA-N 1 0 227.308 0.224 20 30 BCEDRO CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@H](C#N)C2)C1 ZINC000446756459 388036536 /nfs/dbraw/zinc/03/65/36/388036536.db2.gz IPLLDMSTYDCCBA-XQQFMLRXSA-N 1 0 237.347 0.725 20 30 BCEDRO C=C(C)C[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000447384529 388066773 /nfs/dbraw/zinc/06/67/73/388066773.db2.gz MWXUOLYOYPITGL-OLZOCXBDSA-N 1 0 243.347 0.908 20 30 BCEDRO C=CC[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000447379707 388067961 /nfs/dbraw/zinc/06/79/61/388067961.db2.gz CHNWSBNSAVNSPZ-NWDGAFQWSA-N 1 0 229.320 0.518 20 30 BCEDRO C[C@H]1C[C@]1(C#N)C(=O)NCC[N@H+](C)C1CC1 ZINC000448792911 388111832 /nfs/dbraw/zinc/11/18/32/388111832.db2.gz FCSWOGSMWDRTOI-JOYOIKCWSA-N 1 0 221.304 0.747 20 30 BCEDRO N#Cc1cncc(N2CC[C@@H]3CC[NH2+][C@H]3C2)n1 ZINC000592466623 388159387 /nfs/dbraw/zinc/15/93/87/388159387.db2.gz SUGLUEBGWWMHJO-ONGXEEELSA-N 1 0 229.287 0.536 20 30 BCEDRO C=CCC1(C(=O)N[C@@H](CO)C[NH+](C)C)CCC1 ZINC000646210974 388165485 /nfs/dbraw/zinc/16/54/85/388165485.db2.gz NTOFCLBKMDAGCQ-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000646298189 388178265 /nfs/dbraw/zinc/17/82/65/388178265.db2.gz KEDHVZCTFHIBQU-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000456140585 388180778 /nfs/dbraw/zinc/18/07/78/388180778.db2.gz BMPROCYLIMBNQZ-YFKTTZPYSA-N 1 0 238.331 0.644 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000448920387 388120630 /nfs/dbraw/zinc/12/06/30/388120630.db2.gz GLCUQUDYOFXYJW-NTZNESFSSA-N 1 0 233.315 0.843 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000645991603 388121016 /nfs/dbraw/zinc/12/10/16/388121016.db2.gz PJWDUFINFFDWKW-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO C[C@H]1C[C@]1(C#N)C(=O)N1CCN(C)C[C@H]1C ZINC000448945563 388122346 /nfs/dbraw/zinc/12/23/46/388122346.db2.gz IVVIGHNVTJLPKI-HOSYDEDBSA-N 1 0 221.304 0.699 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)[C@]1(C#N)C[C@H]1C ZINC000448979042 388124987 /nfs/dbraw/zinc/12/49/87/388124987.db2.gz FQONLKCNQGHZDL-PWSUYJOCSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CCn1cc(C(=O)NCC[NH+]2CCCC2)nn1 ZINC000648718983 388133970 /nfs/dbraw/zinc/13/39/70/388133970.db2.gz OWENXWJHZRXBHP-UHFFFAOYSA-N 1 0 249.318 0.290 20 30 BCEDRO C=CC[C@H](C)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000162320760 388148403 /nfs/dbraw/zinc/14/84/03/388148403.db2.gz FHQVPMYTSLYOMN-IUCAKERBSA-N 1 0 205.323 0.974 20 30 BCEDRO C=C(C)COCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000162336250 388153530 /nfs/dbraw/zinc/15/35/30/388153530.db2.gz MBHGIVORRPIGFQ-LLVKDONJSA-N 1 0 247.360 0.746 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H](O)CCOC(C)C ZINC000490739589 388251866 /nfs/dbraw/zinc/25/18/66/388251866.db2.gz FDXVHPDYELEDFY-ZDUSSCGKSA-N 1 0 223.316 0.731 20 30 BCEDRO C#CCN(CC#CC)CC[C@@H]1CCOC1=O ZINC000490779942 388254193 /nfs/dbraw/zinc/25/41/93/388254193.db2.gz CQQWGHMLDWOQCP-GFCCVEGCSA-N 1 0 219.284 0.898 20 30 BCEDRO C[NH+](C)CCCNS(=O)(=O)CCCC#N ZINC000489002759 388201379 /nfs/dbraw/zinc/20/13/79/388201379.db2.gz BAXPFQDVHVQMTN-UHFFFAOYSA-N 1 0 233.337 0.161 20 30 BCEDRO C=CCCCS(=O)(=O)NCC[NH+](C)C ZINC000489017030 388202004 /nfs/dbraw/zinc/20/20/04/388202004.db2.gz SVBBBIFBDGSINN-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO C=CCOCC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000489346100 388209306 /nfs/dbraw/zinc/20/93/06/388209306.db2.gz BHAWMOLAKGHQJS-GFCCVEGCSA-N 1 0 240.347 0.988 20 30 BCEDRO CC(C)[NH2+]CC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000518565965 256579794 /nfs/dbraw/zinc/57/97/94/256579794.db2.gz UPXSJDZNDYKVKS-VHSXEESVSA-N 1 0 209.293 0.793 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccnc(N(C)C)n1 ZINC000449518707 388222554 /nfs/dbraw/zinc/22/25/54/388222554.db2.gz KNEQKAPEVULKIL-NEPJUHHUSA-N 1 0 248.330 0.976 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)COCC(=O)OC ZINC000449520420 388223206 /nfs/dbraw/zinc/22/32/06/388223206.db2.gz PKGAOBQFFBMMBJ-MXWKQRLJSA-N 1 0 243.303 0.498 20 30 BCEDRO C=CCOCCCC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449601237 388240126 /nfs/dbraw/zinc/24/01/26/388240126.db2.gz MGVCTVQTSHQZHA-NXEZZACHSA-N 1 0 214.309 0.821 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CCC2)CC1 ZINC000490650161 388245594 /nfs/dbraw/zinc/24/55/94/388245594.db2.gz LQILBNHHKFASRM-UHFFFAOYSA-N 1 0 206.289 0.564 20 30 BCEDRO C#CC[N@H+](CC#CC)CCC(=O)NC(C)C ZINC000490690403 388247405 /nfs/dbraw/zinc/24/74/05/388247405.db2.gz RJGUPLWHPGDKFY-UHFFFAOYSA-N 1 0 220.316 0.860 20 30 BCEDRO C#CCNC(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000491264993 388281217 /nfs/dbraw/zinc/28/12/17/388281217.db2.gz JDQQGLQJLPBURS-JTQLQIEISA-N 1 0 211.309 0.634 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCC(=O)N(C)CCC#N ZINC000491288003 388282401 /nfs/dbraw/zinc/28/24/01/388282401.db2.gz PDABZUAGIPKNKT-NSHDSACASA-N 1 0 221.304 0.702 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCC(=O)NC(C)C ZINC000451608735 388284099 /nfs/dbraw/zinc/28/40/99/388284099.db2.gz UAUBXVAYIQIEPZ-MNOVXSKESA-N 1 0 226.320 0.834 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCO[C@H]2C=C)C1=O ZINC000451615436 388284269 /nfs/dbraw/zinc/28/42/69/388284269.db2.gz VNYVMYJWFNFCKG-WOPDTQHZSA-N 1 0 236.315 0.706 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCN1CCOC[C@H]1C ZINC000451612148 388284326 /nfs/dbraw/zinc/28/43/26/388284326.db2.gz ZNORKPAGFBOVST-UPJWGTAASA-N 1 0 240.347 0.640 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)CC ZINC000451676355 388289042 /nfs/dbraw/zinc/28/90/42/388289042.db2.gz SJXZWCLMHWXNSZ-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCn1ccnc1C ZINC000491385182 388290702 /nfs/dbraw/zinc/29/07/02/388290702.db2.gz QRGXDOUARLCARG-UHFFFAOYSA-N 1 0 248.330 0.311 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000491405409 388292260 /nfs/dbraw/zinc/29/22/60/388292260.db2.gz IPSLDHMIFKRMNE-QWRGUYRKSA-N 1 0 240.372 0.904 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000491405912 388292701 /nfs/dbraw/zinc/29/27/01/388292701.db2.gz LOXMXDAVKIUSDX-RYUDHWBXSA-N 1 0 236.315 0.189 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000491417219 388293397 /nfs/dbraw/zinc/29/33/97/388293397.db2.gz MUGHJIJTWGGSDG-NWDGAFQWSA-N 1 0 223.247 0.443 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCC2(C#N)CC2)CC1 ZINC000491425511 388293755 /nfs/dbraw/zinc/29/37/55/388293755.db2.gz ABZYIORYDVYUCN-UHFFFAOYSA-N 1 0 245.326 0.752 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1cnc(C)cn1 ZINC000491429413 388294319 /nfs/dbraw/zinc/29/43/19/388294319.db2.gz UMTVBLNSWOVQBB-UHFFFAOYSA-N 1 0 246.314 0.057 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCCS1 ZINC000491450535 388295174 /nfs/dbraw/zinc/29/51/74/388295174.db2.gz AYOAVIFGQQZVCZ-SNVBAGLBSA-N 1 0 226.345 0.611 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)CC(C)(C)C ZINC000491453258 388295587 /nfs/dbraw/zinc/29/55/87/388295587.db2.gz QKZCLASYWPDFPL-NSHDSACASA-N 1 0 240.347 0.513 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@](C)(O)C1CC1 ZINC000491463190 388296391 /nfs/dbraw/zinc/29/63/91/388296391.db2.gz MBDBKEWPVWZAFL-ZDUSSCGKSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)CCCO ZINC000491473520 388296719 /nfs/dbraw/zinc/29/67/19/388296719.db2.gz FADBPYYRYRVTRJ-NSHDSACASA-N 1 0 226.320 0.124 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@H](C)CCO ZINC000491483330 388297525 /nfs/dbraw/zinc/29/75/25/388297525.db2.gz BBDKYWDLWVUWDN-NSHDSACASA-N 1 0 226.320 0.124 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](O)CO[C@@H](C)COC ZINC000491484528 388298329 /nfs/dbraw/zinc/29/83/29/388298329.db2.gz JAWWCVCMBLHHGU-SDDRHHMPSA-N 1 0 229.320 0.352 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C#C)C(C)C ZINC000491496785 388299205 /nfs/dbraw/zinc/29/92/05/388299205.db2.gz SYBGQNHJWMTNLV-LLVKDONJSA-N 1 0 206.289 0.373 20 30 BCEDRO C#C[C@H](C)N(C)Cc1cnn(CCOC)c1 ZINC000491515862 388300075 /nfs/dbraw/zinc/30/00/75/388300075.db2.gz POSRNMCEKFJEMN-NSHDSACASA-N 1 0 221.304 0.983 20 30 BCEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CC[C@H](C)[C@@H](C)C2)C1=O ZINC000491535559 388302082 /nfs/dbraw/zinc/30/20/82/388302082.db2.gz CSRDSOQRDFERRI-SRVKXCTJSA-N 1 0 248.326 0.725 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCCF ZINC000491537864 388302498 /nfs/dbraw/zinc/30/24/98/388302498.db2.gz UMQWROSSBIVRPN-UHFFFAOYSA-N 1 0 200.257 0.465 20 30 BCEDRO C#CCN(C(=O)NCC[C@H]1CC[NH2+]C1)C1CC1 ZINC000491553769 388303232 /nfs/dbraw/zinc/30/32/32/388303232.db2.gz CLLNCEKUIIKRGA-LLVKDONJSA-N 1 0 235.331 0.793 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](CCC)OC ZINC000491553781 388303395 /nfs/dbraw/zinc/30/33/95/388303395.db2.gz COGQPDMFMUBSME-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO C#C[C@@H](C)[N@@H+](C)C[C@](C)(O)C(=O)OCC ZINC000491624574 388304764 /nfs/dbraw/zinc/30/47/64/388304764.db2.gz IECHNCXEZFOKTG-KOLCDFICSA-N 1 0 213.277 0.254 20 30 BCEDRO C#CC[N@@H+](C)CC1CCS(=O)(=O)CC1 ZINC000491617947 388305047 /nfs/dbraw/zinc/30/50/47/388305047.db2.gz CFXNCKFDOZJOTN-UHFFFAOYSA-N 1 0 215.318 0.376 20 30 BCEDRO C#C[C@H](CC)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000491628969 388306328 /nfs/dbraw/zinc/30/63/28/388306328.db2.gz LVSRCYFZYQBPBM-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C#C[C@@H](CC)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000491628968 388306358 /nfs/dbraw/zinc/30/63/58/388306358.db2.gz LVSRCYFZYQBPBM-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](CC[NH3+])C(F)F)C(C)C ZINC000491643429 388307475 /nfs/dbraw/zinc/30/74/75/388307475.db2.gz FQZFCIPHLNKTOO-DTWKUNHWSA-N 1 0 247.289 0.926 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC1CC[NH+](C)CC1 ZINC000491656445 388308528 /nfs/dbraw/zinc/30/85/28/388308528.db2.gz SNNXGYHRWZOJAK-SNVBAGLBSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000491663427 388309234 /nfs/dbraw/zinc/30/92/34/388309234.db2.gz MUQAVFGSYZBPHN-NSHDSACASA-N 1 0 225.336 0.990 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@@H](C)OC ZINC000490876378 256596952 /nfs/dbraw/zinc/59/69/52/256596952.db2.gz UHUXSYKEMGCIIM-GHMZBOCLSA-N 1 0 225.288 0.662 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)CC1CCCC1 ZINC000491673940 388309981 /nfs/dbraw/zinc/30/99/81/388309981.db2.gz QOSADFMJCWKDJU-NWDGAFQWSA-N 1 0 211.305 0.511 20 30 BCEDRO C#C[C@H](CCC)NC(=[NH2+])N1CCOCC1 ZINC000491677271 388310295 /nfs/dbraw/zinc/31/02/95/388310295.db2.gz XZKQRDDCXPPATP-SNVBAGLBSA-N 1 0 209.293 0.645 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)CCOC ZINC000491688281 388310875 /nfs/dbraw/zinc/31/08/75/388310875.db2.gz AGDVOSQARVTBAD-UHFFFAOYSA-N 1 0 240.347 0.778 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@H](C)C[NH2+]C ZINC000491693350 388311358 /nfs/dbraw/zinc/31/13/58/388311358.db2.gz CRDOGPOWWYKKMK-NXEZZACHSA-N 1 0 211.309 0.505 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@@H](C)C[NH2+]C ZINC000491693351 388311462 /nfs/dbraw/zinc/31/14/62/388311462.db2.gz CRDOGPOWWYKKMK-UWVGGRQHSA-N 1 0 211.309 0.505 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](CC)CO ZINC000491692600 388311556 /nfs/dbraw/zinc/31/15/56/388311556.db2.gz RMPSKTHJKJDNRF-NSHDSACASA-N 1 0 241.335 0.012 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)[C@@H](C)CCC ZINC000491693542 388311564 /nfs/dbraw/zinc/31/15/64/388311564.db2.gz CZVWHUNHVWKBNX-RYUDHWBXSA-N 1 0 240.347 0.513 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000491695323 388311697 /nfs/dbraw/zinc/31/16/97/388311697.db2.gz ODFFYKUKZPCBQH-UWVGGRQHSA-N 1 0 209.293 0.387 20 30 BCEDRO C#C[C@@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000491695824 388311854 /nfs/dbraw/zinc/31/18/54/388311854.db2.gz CVLCRSWCEBDKBX-GFCCVEGCSA-N 1 0 208.305 0.320 20 30 BCEDRO C#CCN(C)C(=O)CCN(C)c1cc[nH+]cc1 ZINC000491696937 388312130 /nfs/dbraw/zinc/31/21/30/388312130.db2.gz FZKUTCAWZDDFOE-UHFFFAOYSA-N 1 0 231.299 1.000 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)OCC ZINC000491698859 388312296 /nfs/dbraw/zinc/31/22/96/388312296.db2.gz RDMKWPHGIXGASR-UHFFFAOYSA-N 1 0 227.308 0.534 20 30 BCEDRO C#CCNC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000491699915 388312307 /nfs/dbraw/zinc/31/23/07/388312307.db2.gz JSZYYZSXLYEOHN-SNVBAGLBSA-N 1 0 207.277 0.156 20 30 BCEDRO C#CCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000491699912 388312323 /nfs/dbraw/zinc/31/23/23/388312323.db2.gz JSZYYZSXLYEOHN-JTQLQIEISA-N 1 0 207.277 0.156 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000491703883 388312801 /nfs/dbraw/zinc/31/28/01/388312801.db2.gz ZYMFPYQYPCLBOF-UHFFFAOYSA-N 1 0 209.293 0.355 20 30 BCEDRO C#CCN(C)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000491703938 388313112 /nfs/dbraw/zinc/31/31/12/388313112.db2.gz TTWQGNSSQCJCNN-LBPRGKRZSA-N 1 0 237.347 0.993 20 30 BCEDRO C#C[C@@H](C)N(C)CC1(C[N@H+](C)[C@H](C)C#C)COC1 ZINC000491704761 388313138 /nfs/dbraw/zinc/31/31/38/388313138.db2.gz BSZGQCWQZQURKX-ZIAGYGMSSA-N 1 0 248.370 0.910 20 30 BCEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](O)COCC(C)C ZINC000491705759 388313348 /nfs/dbraw/zinc/31/33/48/388313348.db2.gz ZTASNWKOGOITHO-VXGBXAGGSA-N 1 0 213.321 0.973 20 30 BCEDRO C#CCN(C)C(=O)NC1CC[NH+](CC=C)CC1 ZINC000491705611 388313373 /nfs/dbraw/zinc/31/33/73/388313373.db2.gz JFMQTMHBFSKFBE-UHFFFAOYSA-N 1 0 235.331 0.911 20 30 BCEDRO C#CCN(CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000491709464 388313948 /nfs/dbraw/zinc/31/39/48/388313948.db2.gz PAGRXWFNSIDXQO-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C#C[C@@H](C)N(C)Cn1cc([N+](=O)[O-])cn1 ZINC000491717466 388314175 /nfs/dbraw/zinc/31/41/75/388314175.db2.gz QTRPFEQSBFOTTM-MRVPVSSYSA-N 1 0 208.221 0.702 20 30 BCEDRO C#C[C@@H]1COCCN1CCn1cc(C)cn1 ZINC000491716327 388314220 /nfs/dbraw/zinc/31/42/20/388314220.db2.gz SZDXZIOEOLNOEE-GFCCVEGCSA-N 1 0 219.288 0.526 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)C1CCCC1 ZINC000491717937 388314527 /nfs/dbraw/zinc/31/45/27/388314527.db2.gz SCAQOMMGXDNONK-GFCCVEGCSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCN(C)C(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000491728587 388315418 /nfs/dbraw/zinc/31/54/18/388315418.db2.gz HNGKMDUHSBFKBP-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO C#C[C@H]1COCCN1C[C@H](O)C(C)(C)C ZINC000491753807 388315843 /nfs/dbraw/zinc/31/58/43/388315843.db2.gz PVSPBIDHKZWNLY-QWRGUYRKSA-N 1 0 211.305 0.727 20 30 BCEDRO C#C[C@H](CC)NC(=O)N[C@@H]1CCc2[nH]cnc2C1 ZINC000491731804 388315926 /nfs/dbraw/zinc/31/59/26/388315926.db2.gz JDSXCCNFJAXLGD-NXEZZACHSA-N 1 0 246.314 0.978 20 30 BCEDRO C#CCN(C(=O)[C@@H](C)N1CCN(C)CC1)C1CC1 ZINC000491732388 388316007 /nfs/dbraw/zinc/31/60/07/388316007.db2.gz AAYWHOOZXSSXPC-GFCCVEGCSA-N 1 0 249.358 0.247 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[NH+]1CCC1)C(C)C ZINC000491736621 388316403 /nfs/dbraw/zinc/31/64/03/388316403.db2.gz UUGNTXSLYRVITC-LLVKDONJSA-N 1 0 223.320 0.649 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000491736069 388316474 /nfs/dbraw/zinc/31/64/74/388316474.db2.gz PQAWJROQBAHNGR-VIFPVBQESA-N 1 0 207.277 0.156 20 30 BCEDRO C#C[C@H](NC(=O)NC(C)(C)C[NH3+])C(C)C ZINC000491738044 388316518 /nfs/dbraw/zinc/31/65/18/388316518.db2.gz WJDRNEGEBAZZFL-VIFPVBQESA-N 1 0 211.309 0.681 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCCOCC[NH+](C)C ZINC000491742635 388316939 /nfs/dbraw/zinc/31/69/39/388316939.db2.gz WTBVOGMBNLDDOY-LLVKDONJSA-N 1 0 241.335 0.228 20 30 BCEDRO C#CCN(CC#N)C(=O)C[N@H+]1CC[C@H](C)C1 ZINC000491772758 388319323 /nfs/dbraw/zinc/31/93/23/388319323.db2.gz UVYRTOIKJKERBI-NSHDSACASA-N 1 0 219.288 0.314 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCOC(C)C ZINC000491772409 388319341 /nfs/dbraw/zinc/31/93/41/388319341.db2.gz TXHXIHBGSQXDKM-UHFFFAOYSA-N 1 0 226.320 0.531 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)C[C@@H]1CCCO1 ZINC000491775174 388319569 /nfs/dbraw/zinc/31/95/69/388319569.db2.gz WTYHGRBJQAUPQO-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CC[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000491779861 388320507 /nfs/dbraw/zinc/32/05/07/388320507.db2.gz JQUYSPBGONLMLL-VIFPVBQESA-N 1 0 213.302 0.458 20 30 BCEDRO C#CCNC(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000491783030 388320584 /nfs/dbraw/zinc/32/05/84/388320584.db2.gz MZUCGDWRNOCFOM-NSHDSACASA-N 1 0 223.320 0.826 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NOCCC ZINC000491803455 388321571 /nfs/dbraw/zinc/32/15/71/388321571.db2.gz JKUKZCBFMNHHRA-UHFFFAOYSA-N 1 0 227.308 0.582 20 30 BCEDRO C#C[C@@H](C)[N@@H+](C)CCCNS(=O)(=O)CC ZINC000491820291 388323781 /nfs/dbraw/zinc/32/37/81/388323781.db2.gz QTNRMXIGVYJWEU-SNVBAGLBSA-N 1 0 232.349 0.269 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@H](C)C[NH3+])C(C)C ZINC000491819181 388323796 /nfs/dbraw/zinc/32/37/96/388323796.db2.gz MZTXPOBRFBLECS-NXEZZACHSA-N 1 0 211.309 0.538 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)N(CC)CC ZINC000491820204 388323893 /nfs/dbraw/zinc/32/38/93/388323893.db2.gz QIQQYYONIWOKTE-GFCCVEGCSA-N 1 0 239.363 0.446 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@H]1CC[NH2+]C1 ZINC000491780714 256609934 /nfs/dbraw/zinc/60/99/34/256609934.db2.gz MIHDBSRJAYEOGA-ZJUUUORDSA-N 1 0 209.293 0.449 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)N(CCC#N)CCC#N ZINC000491885914 388326027 /nfs/dbraw/zinc/32/60/27/388326027.db2.gz QHLINLNZOVNVFP-UTCJRWHESA-N 1 0 234.303 0.760 20 30 BCEDRO C#CCN(CC#N)C(=O)C[N@@H+](C)CCC ZINC000490987053 388263696 /nfs/dbraw/zinc/26/36/96/388263696.db2.gz XAMBIVKTXXGEHC-UHFFFAOYSA-N 1 0 207.277 0.314 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H]1CCC[N@H+]1CCC ZINC000491015249 388265182 /nfs/dbraw/zinc/26/51/82/388265182.db2.gz XFGBMVFAKMGQKP-GFCCVEGCSA-N 1 0 233.315 0.846 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@H+]2[C@H](C)C[C@@H]2C)CC1 ZINC000491039367 388266384 /nfs/dbraw/zinc/26/63/84/388266384.db2.gz OERIEDLEMNTSBV-BETUJISGSA-N 1 0 249.358 0.247 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C[C@@H]1CCCOC1 ZINC000491118804 388269173 /nfs/dbraw/zinc/26/91/73/388269173.db2.gz GACHWSDQHZCBBJ-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)C1=CCOCC1 ZINC000491103017 388269872 /nfs/dbraw/zinc/26/98/72/388269872.db2.gz NUTXKJVONZUBCG-ZDUSSCGKSA-N 1 0 249.310 0.974 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](C)[C@H]1CO ZINC000491120192 388271012 /nfs/dbraw/zinc/27/10/12/388271012.db2.gz LPPSPCMHMDZZAY-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H]1CCN(C2CC2)C1 ZINC000491122928 388271380 /nfs/dbraw/zinc/27/13/80/388271380.db2.gz YSCLDLQBKSLKCQ-CYBMUJFWSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(C)CC1 ZINC000491154577 388273110 /nfs/dbraw/zinc/27/31/10/388273110.db2.gz KFSPJQFJHFPPPT-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CCNC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000491166737 388274376 /nfs/dbraw/zinc/27/43/76/388274376.db2.gz UFSLDJHZQGMEMV-UHFFFAOYSA-N 1 0 217.272 0.506 20 30 BCEDRO C#CCNC(=O)CC[N@H+](C)CCCCCO ZINC000491167294 388274550 /nfs/dbraw/zinc/27/45/50/388274550.db2.gz XBVQKGYRNAUVLM-UHFFFAOYSA-N 1 0 226.320 0.220 20 30 BCEDRO C#CCNC(=O)CC[NH+]1C[C@H](C)S[C@@H](C)C1 ZINC000491202225 388277493 /nfs/dbraw/zinc/27/74/93/388277493.db2.gz MURPBFWDNCVSRB-QWRGUYRKSA-N 1 0 240.372 0.952 20 30 BCEDRO N#Cc1cccc(CN2CCOC3(C[NH2+]C3)C2)c1 ZINC000596108827 388404488 /nfs/dbraw/zinc/40/44/88/388404488.db2.gz ZIPZFAQTMDGJGR-UHFFFAOYSA-N 1 0 243.310 0.732 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CC1([NH3+])CCC1 ZINC000646389900 388349493 /nfs/dbraw/zinc/34/94/93/388349493.db2.gz JTWHAJARSYEEKH-QWRGUYRKSA-N 1 0 238.331 0.965 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594532848 388357136 /nfs/dbraw/zinc/35/71/36/388357136.db2.gz DUELBXGONUDYIR-VIFPVBQESA-N 1 0 244.298 0.931 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)c1 ZINC000270577876 388358689 /nfs/dbraw/zinc/35/86/89/388358689.db2.gz CHJOXOUKAXUPOQ-GFCCVEGCSA-N 1 0 244.298 0.801 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1cccnc1C#N ZINC000227935060 388373939 /nfs/dbraw/zinc/37/39/39/388373939.db2.gz IIBHZRCDZVUBSZ-LBPRGKRZSA-N 1 0 234.303 0.678 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1ccc(C#N)cn1 ZINC000132965774 388373947 /nfs/dbraw/zinc/37/39/47/388373947.db2.gz ZVJWBLYQEOYEGU-GFCCVEGCSA-N 1 0 234.303 0.678 20 30 BCEDRO C=CCn1cc(CNC(=O)CC[NH2+]C2CC2)nn1 ZINC000572780451 388376001 /nfs/dbraw/zinc/37/60/01/388376001.db2.gz LENNWYUEIHTFBJ-UHFFFAOYSA-N 1 0 249.318 0.222 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)OC ZINC000294011340 388393660 /nfs/dbraw/zinc/39/36/60/388393660.db2.gz PRVJZVMVUQDOIV-JTQLQIEISA-N 1 0 212.293 0.093 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C(F)F ZINC000293996012 388393948 /nfs/dbraw/zinc/39/39/48/388393948.db2.gz OMFQDRMBDPRHRM-UHFFFAOYSA-N 1 0 204.220 0.323 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000646664542 388406821 /nfs/dbraw/zinc/40/68/21/388406821.db2.gz ULHOYWZPGUVVKA-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO COC[C@@](C)(C#N)NC(=O)/C=C\C[NH+](C)C ZINC000492204356 388338123 /nfs/dbraw/zinc/33/81/23/388338123.db2.gz ZGAZARUTNNMCPY-ISALQUGTSA-N 1 0 225.292 0.149 20 30 BCEDRO C[NH+](C)CC(=O)N1CCC(CC#N)CC1 ZINC000335977110 388455517 /nfs/dbraw/zinc/45/55/17/388455517.db2.gz PBPWQRNQCSVDJO-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO C=CCOCC[NH2+][C@@](C)(CCO)COC ZINC000339014592 388477752 /nfs/dbraw/zinc/47/77/52/388477752.db2.gz DRFOSGSDEVCJJS-NSHDSACASA-N 1 0 217.309 0.566 20 30 BCEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1cc(C#N)cnn1 ZINC000596181724 388408129 /nfs/dbraw/zinc/40/81/29/388408129.db2.gz DYBJNNPDOIPZEJ-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@H]1CC[N@H+](CCNC(=O)CSCC#N)C1 ZINC000524776337 388409561 /nfs/dbraw/zinc/40/95/61/388409561.db2.gz UALAQNGXMBXNMO-JTQLQIEISA-N 1 0 241.360 0.701 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000646678982 388413513 /nfs/dbraw/zinc/41/35/13/388413513.db2.gz MVSMOTQWNQHPSO-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@H](O)C(=O)NCc1ccccc1C[NH+](C)C ZINC000646685613 388415540 /nfs/dbraw/zinc/41/55/40/388415540.db2.gz GOEHXRINKJLDGL-ZDUSSCGKSA-N 1 0 248.326 0.911 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000528519123 388541438 /nfs/dbraw/zinc/54/14/38/388541438.db2.gz LOZBRVFBOQGMNV-UTUOFQBUSA-N 1 0 241.331 0.586 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[NH2+][C@@H](C)C1 ZINC000261555418 135194860 /nfs/dbraw/zinc/19/48/60/135194860.db2.gz UXEZQMWTIGKRPM-UWVGGRQHSA-N 1 0 232.349 0.622 20 30 BCEDRO C[C@H](C#N)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000343341405 388500149 /nfs/dbraw/zinc/50/01/49/388500149.db2.gz PNCIBMZLHIKKOX-SECBINFHSA-N 1 0 207.277 0.524 20 30 BCEDRO N#CCc1ccc(C[N@@H+](CCO)CCCO)cc1 ZINC000343532247 388501521 /nfs/dbraw/zinc/50/15/21/388501521.db2.gz PKKZHQFWPGJOPQ-UHFFFAOYSA-N 1 0 248.326 0.929 20 30 BCEDRO C[C@H]1CN(C)CC[N@@H+]1C[C@H](O)CC1(C#N)CC1 ZINC000528381233 388518524 /nfs/dbraw/zinc/51/85/24/388518524.db2.gz PNGFSCUJZSHMGG-NWDGAFQWSA-N 1 0 237.347 0.677 20 30 BCEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000528422206 388522095 /nfs/dbraw/zinc/52/20/95/388522095.db2.gz SFTGDTMWJVVHFO-ZJUUUORDSA-N 1 0 210.277 0.108 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2cccnn2)CC1 ZINC000528447153 388528025 /nfs/dbraw/zinc/52/80/25/388528025.db2.gz DSMBRZZDJKKIQV-UHFFFAOYSA-N 1 0 246.314 0.857 20 30 BCEDRO C[C@H](CN1CCOCC1)Nc1ccc(C#N)nn1 ZINC000301942458 388617268 /nfs/dbraw/zinc/61/72/68/388617268.db2.gz VOAPNRDDNYBRSB-SNVBAGLBSA-N 1 0 247.302 0.481 20 30 BCEDRO C#CCNC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC1 ZINC000186789787 388603721 /nfs/dbraw/zinc/60/37/21/388603721.db2.gz ZADLEIWYCOIWOO-NSHDSACASA-N 1 0 237.347 0.150 20 30 BCEDRO Cn1cccc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000521241306 388565501 /nfs/dbraw/zinc/56/55/01/388565501.db2.gz FQNWLSJJMXBPFW-UHFFFAOYSA-N 1 0 246.314 0.743 20 30 BCEDRO N#Cc1ccc(OCC(=O)NCCC[NH3+])cc1 ZINC000519551316 388666473 /nfs/dbraw/zinc/66/64/73/388666473.db2.gz ZUVQSGNQJFXPAG-UHFFFAOYSA-N 1 0 233.271 0.402 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CC)C1 ZINC000125088663 388668751 /nfs/dbraw/zinc/66/87/51/388668751.db2.gz KRCUWGXYUXLDNL-JTQLQIEISA-N 1 0 239.319 0.730 20 30 BCEDRO C[NH2+]CCNC(=O)NCCc1cccc(C#N)c1 ZINC000418146806 388675329 /nfs/dbraw/zinc/67/53/29/388675329.db2.gz LAUYOUIJHCKUIF-UHFFFAOYSA-N 1 0 246.314 0.619 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000538012773 388675951 /nfs/dbraw/zinc/67/59/51/388675951.db2.gz JOCPICRQTHLLDC-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C#CCN(C)CC(=O)N(C)CC(F)(F)F ZINC000192220022 388677064 /nfs/dbraw/zinc/67/70/64/388677064.db2.gz LVVWFJKTULLRBL-UHFFFAOYSA-N 1 0 222.210 0.572 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)COCc1ccco1 ZINC000192227190 388677552 /nfs/dbraw/zinc/67/75/52/388677552.db2.gz JSANXHDETLFKFW-NSHDSACASA-N 1 0 223.272 0.722 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000551046736 388620191 /nfs/dbraw/zinc/62/01/91/388620191.db2.gz MWLVEHLATLSEHK-NSHDSACASA-N 1 0 239.363 0.703 20 30 BCEDRO N#CCC1CCN(C(=O)N[C@H]2CC[NH2+]C2)CC1 ZINC000521669362 388624434 /nfs/dbraw/zinc/62/44/34/388624434.db2.gz UKUMQJRPDAOARG-NSHDSACASA-N 1 0 236.319 0.684 20 30 BCEDRO C[C@@H](CNC(=O)c1cnccc1C#N)[NH+](C)C ZINC000358669501 388625461 /nfs/dbraw/zinc/62/54/61/388625461.db2.gz XHBFPOULSTYWLC-VIFPVBQESA-N 1 0 232.287 0.633 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@H](CC)[NH+](C)C ZINC000342215623 135252630 /nfs/dbraw/zinc/25/26/30/135252630.db2.gz SXANMUBOTIWRHS-QWRGUYRKSA-N 1 0 228.336 0.627 20 30 BCEDRO C=CCNC(=O)CN1CC[NH2+]C[C@H]1C(C)C ZINC000530230075 388637233 /nfs/dbraw/zinc/63/72/33/388637233.db2.gz OLSAPVKZDZTUBR-NSHDSACASA-N 1 0 225.336 0.218 20 30 BCEDRO N#Cc1cccc2c1CN(C(=O)COCC[NH3+])C2 ZINC000405097679 388637771 /nfs/dbraw/zinc/63/77/71/388637771.db2.gz RTUBBEQZPXDDSI-UHFFFAOYSA-N 1 0 245.282 0.376 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)COc1ccc(C#N)cc1 ZINC000514794861 388644264 /nfs/dbraw/zinc/64/42/64/388644264.db2.gz IONOKWUFMWGEAU-SNVBAGLBSA-N 1 0 247.298 0.648 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CC[C@H]1CC[NH2+]C1 ZINC000514857529 388644594 /nfs/dbraw/zinc/64/45/94/388644594.db2.gz WFVBXZZYLSYPOL-QMMMGPOBSA-N 1 0 233.275 0.610 20 30 BCEDRO C[C@@H]1C[C@H](Nc2ncncc2C#N)CC[NH2+]1 ZINC000304487910 388648454 /nfs/dbraw/zinc/64/84/54/388648454.db2.gz PJWRTGPLLCSETG-PSASIEDQSA-N 1 0 217.276 0.901 20 30 BCEDRO C=C(C)CC[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000551968093 388650787 /nfs/dbraw/zinc/65/07/87/388650787.db2.gz WCLDPLABUCZFIW-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO N#Cc1ccc(CN2C[C@H](CO)[C@H](O)C2)s1 ZINC000517583405 388662172 /nfs/dbraw/zinc/66/21/72/388662172.db2.gz KUWOLNJOFCEACG-LDYMZIIASA-N 1 0 238.312 0.405 20 30 BCEDRO COC(=O)[C@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000276757753 388741724 /nfs/dbraw/zinc/74/17/24/388741724.db2.gz MGBJTBHBJWOIEU-NSHDSACASA-N 1 0 247.298 0.892 20 30 BCEDRO CC[N@H+](CCNC(=O)[C@H](C)C#N)C1CC1 ZINC000227633568 388754898 /nfs/dbraw/zinc/75/48/98/388754898.db2.gz SFCAGCOGWLYGJL-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(=O)NCCCC[NH+]1CCOCC1 ZINC000193120661 388693161 /nfs/dbraw/zinc/69/31/61/388693161.db2.gz QEBIQEUDFXFXCQ-UHFFFAOYSA-N 1 0 239.319 0.031 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CCO[C@](C)(CC)C1 ZINC000248922163 388699220 /nfs/dbraw/zinc/69/92/20/388699220.db2.gz LBCWVMDJEPBAJP-DGCLKSJQSA-N 1 0 238.331 0.625 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(F)cn2)n1 ZINC000529566554 388710195 /nfs/dbraw/zinc/71/01/95/388710195.db2.gz QTTDMNALHJVVED-UHFFFAOYSA-N 1 0 246.249 0.474 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@@H]2COCCN2)c1 ZINC000530246475 388713917 /nfs/dbraw/zinc/71/39/17/388713917.db2.gz HFTLEJHFCMRSRZ-CYBMUJFWSA-N 1 0 231.299 0.636 20 30 BCEDRO C[C@@H]1CC[N@H+](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000530889358 388716154 /nfs/dbraw/zinc/71/61/54/388716154.db2.gz SHZSHOVOURMLRC-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO C#CCNC(=O)NC1CC[NH+](CC)CC1 ZINC000127167146 388717067 /nfs/dbraw/zinc/71/70/67/388717067.db2.gz WOBRGNOSBCYFBU-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO CC#CCN1CC[N@H+](CC(C)(C)O)C[C@H]1C ZINC000249375559 388718639 /nfs/dbraw/zinc/71/86/39/388718639.db2.gz OCJVUXYHWXDYCU-GFCCVEGCSA-N 1 0 224.348 0.787 20 30 BCEDRO C[N@H+](CC(=O)NCC#N)C(C1CC1)C1CC1 ZINC000066497175 388718868 /nfs/dbraw/zinc/71/88/68/388718868.db2.gz XBVSKZWOBPLBLW-UHFFFAOYSA-N 1 0 221.304 0.747 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)c1cc(C#N)cn1C ZINC000081758947 388722059 /nfs/dbraw/zinc/72/20/59/388722059.db2.gz WQYZYRRQKZEBFV-UHFFFAOYSA-N 1 0 248.330 0.967 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000127396300 388722910 /nfs/dbraw/zinc/72/29/10/388722910.db2.gz NRXLVUBKHPJITQ-OUAUKWLOSA-N 1 0 224.304 0.139 20 30 BCEDRO CC#CCC[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000249549211 388726462 /nfs/dbraw/zinc/72/64/62/388726462.db2.gz HGDDDODZSYGNJO-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000252941413 388793486 /nfs/dbraw/zinc/79/34/86/388793486.db2.gz ZVLOPCOIDIUVMC-QJPTWQEYSA-N 1 0 240.347 0.912 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC000332688132 388795422 /nfs/dbraw/zinc/79/54/22/388795422.db2.gz JTNCOEDQWWBIQO-JTQLQIEISA-N 1 0 246.314 0.910 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000332698855 388796541 /nfs/dbraw/zinc/79/65/41/388796541.db2.gz LXXXJUYAEAKVQS-JTQLQIEISA-N 1 0 246.314 0.910 20 30 BCEDRO N#Cc1cnc(N2CC[C@@H]([NH+]3CC=CC3)C2)cn1 ZINC000125651729 388799036 /nfs/dbraw/zinc/79/90/36/388799036.db2.gz OJPLQUDPWNYTOM-GFCCVEGCSA-N 1 0 241.298 0.799 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000228071645 388769006 /nfs/dbraw/zinc/76/90/06/388769006.db2.gz LQXPJUWVNLGSRP-GFCCVEGCSA-N 1 0 208.305 0.858 20 30 BCEDRO CN1CCC[C@@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000539811871 388779538 /nfs/dbraw/zinc/77/95/38/388779538.db2.gz OMRDNANEZOOGPE-LLVKDONJSA-N 1 0 221.304 0.843 20 30 BCEDRO Cc1cc(C(=O)N2CC([NH+](C)C)C2)ncc1C#N ZINC000331988618 388780838 /nfs/dbraw/zinc/78/08/38/388780838.db2.gz PEVHKYZYKZWTQN-UHFFFAOYSA-N 1 0 244.298 0.648 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2ccccc2)n1 ZINC000285370263 388834842 /nfs/dbraw/zinc/83/48/42/388834842.db2.gz CAYCUAFPUKJYBD-UHFFFAOYSA-N 1 0 227.271 0.940 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000541017260 388836256 /nfs/dbraw/zinc/83/62/56/388836256.db2.gz DCZXAXMQQNOTME-MXWKQRLJSA-N 1 0 238.335 0.928 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000541017263 388836769 /nfs/dbraw/zinc/83/67/69/388836769.db2.gz DCZXAXMQQNOTME-VWYCJHECSA-N 1 0 238.335 0.928 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)NCC1(C#N)CC1 ZINC000555698710 388860107 /nfs/dbraw/zinc/86/01/07/388860107.db2.gz KFDDJMJTUHLWPW-UHFFFAOYSA-N 1 0 238.335 0.930 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)[C@H](CC)[NH+](C)C ZINC000649185546 388900033 /nfs/dbraw/zinc/90/00/33/388900033.db2.gz GPHIQLXLHUNGCF-QWRGUYRKSA-N 1 0 226.320 0.217 20 30 BCEDRO CC[C@@H]([NH3+])CNC(=O)C1(C#N)CCCC1 ZINC000564580240 388879125 /nfs/dbraw/zinc/87/91/25/388879125.db2.gz PHBPMTXHPIYILC-SECBINFHSA-N 1 0 209.293 0.924 20 30 BCEDRO CNC(NCC1SCCS1)=[NH+]C ZINC000575491066 388913906 /nfs/dbraw/zinc/91/39/06/388913906.db2.gz BLOWPVIHBNFPAY-UHFFFAOYSA-N 1 0 205.352 0.587 20 30 BCEDRO C=CCN(CCOC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000565188487 388922937 /nfs/dbraw/zinc/92/29/37/388922937.db2.gz CVZNEFWZHXWTKK-GFCCVEGCSA-N 1 0 240.347 0.989 20 30 BCEDRO N#CCc1cccc(C(=O)NCCC[NH3+])c1 ZINC000565547172 388953085 /nfs/dbraw/zinc/95/30/85/388953085.db2.gz WPYQHPUXVVDUML-UHFFFAOYSA-N 1 0 217.272 0.831 20 30 BCEDRO COCC[N@@H+]1CCC[C@H]1CNCCC#N ZINC000566108398 388987874 /nfs/dbraw/zinc/98/78/74/388987874.db2.gz ZNFUXFKICVFFJG-NSHDSACASA-N 1 0 211.309 0.600 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1C[C@H]1C1CC1 ZINC000565828885 388971674 /nfs/dbraw/zinc/97/16/74/388971674.db2.gz KYVOOMVSNXRUBR-RWMBFGLXSA-N 1 0 237.347 0.581 20 30 BCEDRO C#CC[N@@H+](CC1(CO)COC1)C1CCCC1 ZINC000155832663 389011039 /nfs/dbraw/zinc/01/10/39/389011039.db2.gz OFWYUAMJYVPNRL-UHFFFAOYSA-N 1 0 223.316 0.873 20 30 BCEDRO C#C[C@@H](CC)NC(=[NH2+])N1CCSCC1 ZINC000262553562 533236270 /nfs/dbraw/zinc/23/62/70/533236270.db2.gz VNTKHUDZXVSEIR-VIFPVBQESA-N 1 0 211.334 0.762 20 30 BCEDRO C#C[C@@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(C)C ZINC000374058597 533259291 /nfs/dbraw/zinc/25/92/91/533259291.db2.gz UNSLCVHHFCUVGY-OLZOCXBDSA-N 1 0 249.358 0.150 20 30 BCEDRO C#C[C@H](NC(=[NH2+])NC[C@H]1CCCO1)C(C)C ZINC000262122979 533277535 /nfs/dbraw/zinc/27/75/35/533277535.db2.gz JUNSPHPTVSNCOC-MNOVXSKESA-N 1 0 223.320 0.728 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000372184121 533294081 /nfs/dbraw/zinc/29/40/81/533294081.db2.gz GMGGTOQGVFTZOI-SRVKXCTJSA-N 1 0 235.331 0.934 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C)C1 ZINC000336620586 533527968 /nfs/dbraw/zinc/52/79/68/533527968.db2.gz IYXVGOATKWSLFO-SECBINFHSA-N 1 0 218.322 0.186 20 30 BCEDRO C[NH+]=C(NCCOC)NCc1c(C)noc1C ZINC000171601596 533478281 /nfs/dbraw/zinc/47/82/81/533478281.db2.gz OAAMAIPDBMTYMX-UHFFFAOYSA-N 1 0 240.307 0.603 20 30 BCEDRO C[NH+]=C(NCCO)NC[C@H]1CCCS1 ZINC000261948288 533478565 /nfs/dbraw/zinc/47/85/65/533478565.db2.gz GOHCMNZIMJCVNB-MRVPVSSYSA-N 1 0 217.338 0.039 20 30 BCEDRO C=C(C)CC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000351878587 533485193 /nfs/dbraw/zinc/48/51/93/533485193.db2.gz DSTATHVZUZJYND-ZDUSSCGKSA-N 1 0 242.363 0.578 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCC[C@H]1O ZINC000262536826 533511396 /nfs/dbraw/zinc/51/13/96/533511396.db2.gz PXYPOSSNBANHMK-VHSXEESVSA-N 1 0 211.309 0.628 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000116891661 533512721 /nfs/dbraw/zinc/51/27/21/533512721.db2.gz JMBFWUSGSCEJTR-VIFPVBQESA-N 1 0 218.322 0.186 20 30 BCEDRO C[C@H](O)C[NH+]1CCN(c2ccc(C#N)nc2)CC1 ZINC000267441686 132190009 /nfs/dbraw/zinc/19/00/09/132190009.db2.gz YUMUPKXYFNMRST-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO C[NH+](C)C1CCN(c2nccnc2C#N)CC1 ZINC000054379236 132233710 /nfs/dbraw/zinc/23/37/10/132233710.db2.gz DUUHTAOQWFVSCK-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@@H]1CN(c2nccnc2C#N)C[C@@H](C)[NH2+]1 ZINC000054376843 132364313 /nfs/dbraw/zinc/36/43/13/132364313.db2.gz JWPRDKYPHKDCSP-RKDXNWHRSA-N 1 0 217.276 0.535 20 30 BCEDRO CC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000031977345 132389908 /nfs/dbraw/zinc/38/99/08/132389908.db2.gz CRNXHQJVYDTBHK-UHFFFAOYSA-N 1 0 217.276 0.490 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(c2nccc(C#N)n2)C1 ZINC000231903172 132456011 /nfs/dbraw/zinc/45/60/11/132456011.db2.gz GDEJVHQTRFBWEM-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@H](CO)c1ccccc1 ZINC000285247663 133563598 /nfs/dbraw/zinc/56/35/98/133563598.db2.gz YWHMFPYTVBUTCD-LBPRGKRZSA-N 1 0 233.315 0.654 20 30 BCEDRO CCCNC(=[NH2+])NCCc1cccnc1OC ZINC000290693123 133571762 /nfs/dbraw/zinc/57/17/62/133571762.db2.gz RIKLSOUMLXBPCO-UHFFFAOYSA-N 1 0 236.319 0.947 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000351158365 133965818 /nfs/dbraw/zinc/96/58/18/133965818.db2.gz BLVMXTKEDSSHRW-DCAQKATOSA-N 1 0 224.304 0.385 20 30 BCEDRO C=C(C)CN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000351537531 133973369 /nfs/dbraw/zinc/97/33/69/133973369.db2.gz RQVDJPBCSDQXBN-GFCCVEGCSA-N 1 0 240.347 0.989 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000331457996 134000045 /nfs/dbraw/zinc/00/00/45/134000045.db2.gz UUEPDJWOGCJPBI-SDDRHHMPSA-N 1 0 235.331 0.779 20 30 BCEDRO C[C@H](C#N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000331513062 134000458 /nfs/dbraw/zinc/00/04/58/134000458.db2.gz RFKLJROMIQIMBR-SECBINFHSA-N 1 0 221.304 0.889 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000331709439 134001233 /nfs/dbraw/zinc/00/12/33/134001233.db2.gz ZJUOITDIFSSXJZ-GDPRMGEGSA-N 1 0 236.319 0.715 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000331756535 134001774 /nfs/dbraw/zinc/00/17/74/134001774.db2.gz IXBNZZCHENLEMA-KXUCPTDWSA-N 1 0 221.304 0.887 20 30 BCEDRO Cn1[nH]c([C@H]2CCCN2CCCC#N)nc1=N ZINC000332376134 134004400 /nfs/dbraw/zinc/00/44/00/134004400.db2.gz FCOPAQJYBYFTTR-SECBINFHSA-N 1 0 234.307 0.668 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000330416906 134061006 /nfs/dbraw/zinc/06/10/06/134061006.db2.gz ODSBPIFLEVNTRK-GFCCVEGCSA-N 1 0 248.330 0.984 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CC[NH+]2CCC1CC2 ZINC000336127570 134093578 /nfs/dbraw/zinc/09/35/78/134093578.db2.gz ZDNWZXSCPWZYPV-JTQLQIEISA-N 1 0 236.319 0.636 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NC[C@@H]2CC[NH2+]C2)C1 ZINC000333589985 134118752 /nfs/dbraw/zinc/11/87/52/134118752.db2.gz OYHLEGJDHAFPLU-HBNTYKKESA-N 1 0 236.319 0.587 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[C@@H]([NH3+])C1 ZINC000333648466 134120366 /nfs/dbraw/zinc/12/03/66/134120366.db2.gz VLABAPNEIDGFNO-MXWKQRLJSA-N 1 0 239.319 0.463 20 30 BCEDRO C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(C2CC2)CC1 ZINC000336244681 134140782 /nfs/dbraw/zinc/14/07/82/134140782.db2.gz LKSZYTGNYQNYSL-GWCFXTLKSA-N 1 0 233.315 0.843 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000305096273 134159982 /nfs/dbraw/zinc/15/99/82/134159982.db2.gz SWNFNGJTIRZOBJ-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](CO)C1 ZINC000304439402 134160033 /nfs/dbraw/zinc/16/00/33/134160033.db2.gz VWDQAFCLZLHVTO-QWRGUYRKSA-N 1 0 239.319 0.061 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@H](CO)C1 ZINC000304439401 134160116 /nfs/dbraw/zinc/16/01/16/134160116.db2.gz VWDQAFCLZLHVTO-MNOVXSKESA-N 1 0 239.319 0.061 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC000114486413 134161598 /nfs/dbraw/zinc/16/15/98/134161598.db2.gz KXSCWGLHROUNNG-VXGBXAGGSA-N 1 0 238.331 0.642 20 30 BCEDRO CO[C@H](C)C[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000353255861 134162863 /nfs/dbraw/zinc/16/28/63/134162863.db2.gz PSRCOLKFJFVYAO-MNOVXSKESA-N 1 0 241.335 0.714 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000354075235 134166449 /nfs/dbraw/zinc/16/64/49/134166449.db2.gz LIMVMIMHRCXRKL-SECBINFHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000354346613 134167713 /nfs/dbraw/zinc/16/77/13/134167713.db2.gz UZETYZSNOBHOLP-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000354341155 134167793 /nfs/dbraw/zinc/16/77/93/134167793.db2.gz SPGQMZUNRRHVFZ-NEPJUHHUSA-N 1 0 241.335 0.355 20 30 BCEDRO C=CCOCC(=O)NCc1nccn1C ZINC000354895642 134170983 /nfs/dbraw/zinc/17/09/83/134170983.db2.gz ZVRVSUKKJSDUND-UHFFFAOYSA-N 1 0 209.249 0.239 20 30 BCEDRO C=CCOCC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000354918117 134171026 /nfs/dbraw/zinc/17/10/26/134171026.db2.gz UYXQTYMUPFOBPG-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)CC#N)C1 ZINC000355957501 134176286 /nfs/dbraw/zinc/17/62/86/134176286.db2.gz ZFBIDFCRWWAPTM-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCOCC(=O)N[C@H](C)CC[NH+](C)C ZINC000356430231 134177971 /nfs/dbraw/zinc/17/79/71/134177971.db2.gz VGXHFZZQTMLYJI-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H](CCC)[NH+](C)C ZINC000356855577 134180340 /nfs/dbraw/zinc/18/03/40/134180340.db2.gz NEDLCAGCJZUEIN-ZJUUUORDSA-N 1 0 214.309 0.380 20 30 BCEDRO N#CCC(=O)NCCCC[N@H+]1CCC[C@H]1CO ZINC000357118100 134182268 /nfs/dbraw/zinc/18/22/68/134182268.db2.gz NUNKZFOGMJLHHZ-NSHDSACASA-N 1 0 239.319 0.253 20 30 BCEDRO CO/N=C/C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000367315993 134191040 /nfs/dbraw/zinc/19/10/40/134191040.db2.gz BVLCSBSAVBRRNP-KUFNSXSSSA-N 1 0 225.292 0.362 20 30 BCEDRO C#CC[N@H+]1[C@@H]2CCCC[C@@H]2C[C@H]1C(N)=O ZINC000361503905 134205723 /nfs/dbraw/zinc/20/57/23/134205723.db2.gz QVQBRTUVILSFCU-MXWKQRLJSA-N 1 0 206.289 0.738 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCCOCC1 ZINC000363152826 134215256 /nfs/dbraw/zinc/21/52/56/134215256.db2.gz DHWXBIKGYRXROO-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000367832681 134216595 /nfs/dbraw/zinc/21/65/95/134216595.db2.gz OTECJBSVRRDCCG-SNVBAGLBSA-N 1 0 244.360 0.624 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@](CO)(C(C)C)C1 ZINC000368076819 134217349 /nfs/dbraw/zinc/21/73/49/134217349.db2.gz WGHKAFFXVFAHCU-CYBMUJFWSA-N 1 0 240.347 0.629 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](n2cc(C(=O)OC)nn2)C1 ZINC000368190382 134217571 /nfs/dbraw/zinc/21/75/71/134217571.db2.gz UZYKGNMBWRHLLW-JTQLQIEISA-N 1 0 248.286 0.335 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000368239481 134217879 /nfs/dbraw/zinc/21/78/79/134217879.db2.gz IRVWVPFDYBDWDV-QWRGUYRKSA-N 1 0 206.289 0.468 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000368239482 134217933 /nfs/dbraw/zinc/21/79/33/134217933.db2.gz IRVWVPFDYBDWDV-WDEREUQCSA-N 1 0 206.289 0.468 20 30 BCEDRO C#CCCN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368965643 134221119 /nfs/dbraw/zinc/22/11/19/134221119.db2.gz LQCAFXZLVOHSGW-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000369406235 134222492 /nfs/dbraw/zinc/22/24/92/134222492.db2.gz IYNUERSUBLGKKK-AAEUAGOBSA-N 1 0 238.331 0.526 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OC)CC1 ZINC000369581145 134223101 /nfs/dbraw/zinc/22/31/01/134223101.db2.gz YMMRNYMQVGREQZ-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCC[N@@H+]1CCO[C@H]([C@H]2CCCO2)C1 ZINC000371209495 134228101 /nfs/dbraw/zinc/22/81/01/134228101.db2.gz URYMTGPEZFZNTE-NEPJUHHUSA-N 1 0 209.289 0.890 20 30 BCEDRO N#C[C@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC000371977292 134230107 /nfs/dbraw/zinc/23/01/07/134230107.db2.gz CPEQCMPSKXVUQK-NWDGAFQWSA-N 1 0 249.314 0.079 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H](O)C2(CC2)C1 ZINC000372299787 134231326 /nfs/dbraw/zinc/23/13/26/134231326.db2.gz CSGCUPJBQSEGMH-GHMZBOCLSA-N 1 0 211.305 0.770 20 30 BCEDRO C[NH+](C)[C@@]1(C(=O)NCC#N)CCCSC1 ZINC000373088592 134233453 /nfs/dbraw/zinc/23/34/53/134233453.db2.gz SXIKAQQJLKZVQB-JTQLQIEISA-N 1 0 227.333 0.454 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000303385321 134233513 /nfs/dbraw/zinc/23/35/13/134233513.db2.gz VJGLBQOXKLVFOJ-NXEZZACHSA-N 1 0 228.340 0.020 20 30 BCEDRO CN1C[C@H]2C[N@H+](CCCCC#N)CCN2C1=O ZINC000373233109 134233616 /nfs/dbraw/zinc/23/36/16/134233616.db2.gz VQGNDGHDERPNRH-NSHDSACASA-N 1 0 236.319 0.732 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCCC12CCOCC2 ZINC000374299082 134236491 /nfs/dbraw/zinc/23/64/91/134236491.db2.gz XANQVTLDGAUACU-UHFFFAOYSA-N 1 0 238.331 0.934 20 30 BCEDRO C#CCN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000304714375 134238374 /nfs/dbraw/zinc/23/83/74/134238374.db2.gz MRMCGYOLKJMPSA-QWHCGFSZSA-N 1 0 222.332 0.541 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375019221 134238458 /nfs/dbraw/zinc/23/84/58/134238458.db2.gz KUUXCXUXBOUNQU-YNEHKIRRSA-N 1 0 249.358 0.150 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375343493 134239046 /nfs/dbraw/zinc/23/90/46/134239046.db2.gz YIFJRILKYAGIBX-RYUDHWBXSA-N 1 0 236.319 0.852 20 30 BCEDRO C[N@H+](CC(=O)NCC#N)C1CCC(CO)CC1 ZINC000305097372 134239550 /nfs/dbraw/zinc/23/95/50/134239550.db2.gz VLWJQXXKFGEVCU-UHFFFAOYSA-N 1 0 239.319 0.109 20 30 BCEDRO NC(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C12CCCC2 ZINC000305346506 134241408 /nfs/dbraw/zinc/24/14/08/134241408.db2.gz QCCNHLQURQNCRS-HLTSFMKQSA-N 1 0 209.293 0.608 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)CO ZINC000305742987 134242315 /nfs/dbraw/zinc/24/23/15/134242315.db2.gz SYPMSAZZEFGWNU-SNVBAGLBSA-N 1 0 227.308 0.061 20 30 BCEDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)N(C)CCC#N)C1 ZINC000377073623 134243677 /nfs/dbraw/zinc/24/36/77/134243677.db2.gz OZIHELCTKUGUHE-LLVKDONJSA-N 1 0 239.319 0.468 20 30 BCEDRO CO/N=C/C(=O)N[C@H]1CC[N@@H+](C2CCCC2)C1 ZINC000377702008 134244856 /nfs/dbraw/zinc/24/48/56/134244856.db2.gz TUTFEJBYKNVBTC-XNFYSYIQSA-N 1 0 239.319 0.752 20 30 BCEDRO CC[C@](C)(C#N)C(=O)N[C@@H](C)C[NH+](C)C ZINC000168790558 134247816 /nfs/dbraw/zinc/24/78/16/134247816.db2.gz FHXHVIZSWKAQAN-GXSJLCMTSA-N 1 0 211.309 0.993 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170742924 134253191 /nfs/dbraw/zinc/25/31/91/134253191.db2.gz VPRWQAASCFWZMD-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCCO2)CC1 ZINC000171726820 134260625 /nfs/dbraw/zinc/26/06/25/134260625.db2.gz GOWLNZLYHZNJTO-LBPRGKRZSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCCS(=O)(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000178948012 134313431 /nfs/dbraw/zinc/31/34/31/134313431.db2.gz UWFVBGNPFAFORW-VIFPVBQESA-N 1 0 218.322 0.186 20 30 BCEDRO CC[N@H+](CC(=O)N1CCOC[C@@H]1C#N)C1CC1 ZINC000179176633 134317948 /nfs/dbraw/zinc/31/79/48/134317948.db2.gz RPMZZJPFBCDDAP-NSHDSACASA-N 1 0 237.303 0.222 20 30 BCEDRO C=C(C)C[N@H+](C)CCN1C(=O)CCC1=O ZINC000181270156 134334472 /nfs/dbraw/zinc/33/44/72/134334472.db2.gz GMSMYKCWNLENSI-UHFFFAOYSA-N 1 0 210.277 0.643 20 30 BCEDRO COC[C@H](O)C[NH+]1CCC(C)(C#N)CC1 ZINC000227353711 134378674 /nfs/dbraw/zinc/37/86/74/134378674.db2.gz MLKUWMZUQPSSLL-SNVBAGLBSA-N 1 0 212.293 0.619 20 30 BCEDRO C[C@H](O)C[N@@H+]1CCN(CC2(C#N)CC2)C[C@H]1C ZINC000408110534 134394979 /nfs/dbraw/zinc/39/49/79/134394979.db2.gz RFIYBPCFXYOGMK-NEPJUHHUSA-N 1 0 237.347 0.677 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CC(=O)N(C)C ZINC000309391560 134398577 /nfs/dbraw/zinc/39/85/77/134398577.db2.gz ULPKPIQURZDYET-GHMZBOCLSA-N 1 0 228.336 0.627 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCCO[C@@H]2CCC[C@@H]21 ZINC000363412593 134399106 /nfs/dbraw/zinc/39/91/06/134399106.db2.gz QXKIVACJRFBVPA-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO Cc1cc(C#N)cc(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000227934276 134399477 /nfs/dbraw/zinc/39/94/77/134399477.db2.gz VHURBHKXRAUQIF-ZDUSSCGKSA-N 1 0 248.330 0.986 20 30 BCEDRO C=CCCS(=O)(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000236654665 134461278 /nfs/dbraw/zinc/46/12/78/134461278.db2.gz WWVBNJQKORFRSG-NSHDSACASA-N 1 0 246.376 0.872 20 30 BCEDRO NC(=[NH2+])NCC[S@](=O)Cc1ccccc1 ZINC000117106123 134523883 /nfs/dbraw/zinc/52/38/83/134523883.db2.gz LDAKOGQWZTVUTA-OAHLLOKOSA-N 1 0 225.317 0.209 20 30 BCEDRO CC#CCC[N@@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000155403551 134689840 /nfs/dbraw/zinc/68/98/40/134689840.db2.gz LCGOZLXKHVCAOG-WDEREUQCSA-N 1 0 208.305 0.986 20 30 BCEDRO N#CCCC[NH+]1CCC(OCCO)CC1 ZINC000133687176 134753372 /nfs/dbraw/zinc/75/33/72/134753372.db2.gz YOSUFTJOVTVXON-UHFFFAOYSA-N 1 0 212.293 0.763 20 30 BCEDRO C=CCNC(=O)c1ccnc(OCC[NH+](C)C)c1 ZINC000136051097 134784709 /nfs/dbraw/zinc/78/47/09/134784709.db2.gz UDAQWHYDXXBSGY-UHFFFAOYSA-N 1 0 249.314 0.938 20 30 BCEDRO CNC(NC[C@@H](O)c1ccccc1)=[NH+]C ZINC000238321375 134849159 /nfs/dbraw/zinc/84/91/59/134849159.db2.gz QEBWHUJPJIVYLA-SNVBAGLBSA-N 1 0 207.277 0.515 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCc1nccs1 ZINC000170909309 134879336 /nfs/dbraw/zinc/87/93/36/134879336.db2.gz CIMPLZKYUXSXHR-QMMMGPOBSA-N 1 0 242.348 0.625 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2COCCO2)C1 ZINC000336658048 134890405 /nfs/dbraw/zinc/89/04/05/134890405.db2.gz BCTRIUVGTATJKV-OUAUKWLOSA-N 1 0 210.277 0.684 20 30 BCEDRO CCC[N@@H+]1CCCN(C(=O)CC#N)CC1 ZINC000364385975 134959063 /nfs/dbraw/zinc/95/90/63/134959063.db2.gz OAMIFHFAEPLVCH-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO C=CCN1CC[C@@H]([NH+]2CCC(OC)CC2)C1=O ZINC000337132246 135000746 /nfs/dbraw/zinc/00/07/46/135000746.db2.gz LDTWNRBHMHNTDL-GFCCVEGCSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)C[C@H]2CCOC2)C1=O ZINC000337180097 135003920 /nfs/dbraw/zinc/00/39/20/135003920.db2.gz LZFCJJHGFLLESJ-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@](C)(CC)C(N)=O)C1=O ZINC000337189392 135004118 /nfs/dbraw/zinc/00/41/18/135004118.db2.gz RMGNEPYNRHHVAN-SKDRFNHKSA-N 1 0 239.319 0.017 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@](C)(CC)C(N)=O)C1=O ZINC000337189391 135004124 /nfs/dbraw/zinc/00/41/24/135004124.db2.gz RMGNEPYNRHHVAN-JOYOIKCWSA-N 1 0 239.319 0.017 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2cn[nH]c2)C1=O ZINC000337198995 135005761 /nfs/dbraw/zinc/00/57/61/135005761.db2.gz DNQAAPUXMMSPKS-GXSJLCMTSA-N 1 0 234.303 0.847 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@](O)(CC)C2)C1=O ZINC000337206007 135006652 /nfs/dbraw/zinc/00/66/52/135006652.db2.gz LTKOXCIIGRTOPW-DGCLKSJQSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@H]2CO)C1=O ZINC000337210447 135006944 /nfs/dbraw/zinc/00/69/44/135006944.db2.gz UCSZVWYHFAQGSF-GRYCIOLGSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000248633192 135016987 /nfs/dbraw/zinc/01/69/87/135016987.db2.gz SAKRWOMKZLNADX-XQQFMLRXSA-N 1 0 243.347 0.785 20 30 BCEDRO C=CCC[NH+]1CCN(c2nccn(C)c2=O)CC1 ZINC000338544110 135039219 /nfs/dbraw/zinc/03/92/19/135039219.db2.gz KDDVLYRXBTUKPY-UHFFFAOYSA-N 1 0 248.330 0.478 20 30 BCEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCOCCC#N ZINC000338909002 135048096 /nfs/dbraw/zinc/04/80/96/135048096.db2.gz FWZOPGUBVWIOQW-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC000250267708 135051844 /nfs/dbraw/zinc/05/18/44/135051844.db2.gz KSCJGMDDRFMTLA-ZJUUUORDSA-N 1 0 209.293 0.604 20 30 BCEDRO CCC[C@H]1C(=O)NCCN1CCOCCC#N ZINC000339059724 135056308 /nfs/dbraw/zinc/05/63/08/135056308.db2.gz OLQDFWABRONNAY-NSHDSACASA-N 1 0 239.319 0.517 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@H](C)C[S@](C)=O ZINC000339082360 135057162 /nfs/dbraw/zinc/05/71/62/135057162.db2.gz CYPQUQKZYBAPFS-YGRLFVJLSA-N 1 0 219.350 0.888 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@]1(CO)CCOC1 ZINC000339080467 135057525 /nfs/dbraw/zinc/05/75/25/135057525.db2.gz BVUIVABBTXJKGD-NSHDSACASA-N 1 0 215.293 0.272 20 30 BCEDRO C[C@@H]1CC[N@H+](CCOCCC#N)[C@H](C(N)=O)C1 ZINC000339100195 135059726 /nfs/dbraw/zinc/05/97/26/135059726.db2.gz VUTZMDRJODHMHR-MNOVXSKESA-N 1 0 239.319 0.502 20 30 BCEDRO C=CCOCCN1CCN(C)C(=O)[C@@H]1C ZINC000339099058 135060050 /nfs/dbraw/zinc/06/00/50/135060050.db2.gz JKIPFOOXVPGALP-JTQLQIEISA-N 1 0 212.293 0.352 20 30 BCEDRO COCC[C@@]1([NH2+]CCOCCC#N)CCOC1 ZINC000339131813 135061153 /nfs/dbraw/zinc/06/11/53/135061153.db2.gz WKGQORGAWLNVTH-GFCCVEGCSA-N 1 0 242.319 0.702 20 30 BCEDRO COC(=O)[C@H]1CC[N@H+](CCOCCC#N)[C@@H]1C ZINC000339118393 135061234 /nfs/dbraw/zinc/06/12/34/135061234.db2.gz KOBHTSSYEUXDKY-MNOVXSKESA-N 1 0 240.303 0.800 20 30 BCEDRO C=CCOCC[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000339134072 135061779 /nfs/dbraw/zinc/06/17/79/135061779.db2.gz NIKUVVPIDDUJBI-QWRGUYRKSA-N 1 0 215.293 0.535 20 30 BCEDRO CC[N@@H+]1CCN(CCOCCC#N)[C@@H](C)C1 ZINC000339192768 135065591 /nfs/dbraw/zinc/06/55/91/135065591.db2.gz WURMNQIMLCENCQ-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO CO/N=C/c1ccc(C(=O)N2CC[C@H]([NH3+])C2)cc1 ZINC000237109160 135069331 /nfs/dbraw/zinc/06/93/31/135069331.db2.gz JJDSGOYFJWEHTK-AAWHYMEISA-N 1 0 247.298 0.840 20 30 BCEDRO C=CCOCC(=O)N1[C@H](C)C[NH+](C)C[C@H]1C ZINC000339475672 135074074 /nfs/dbraw/zinc/07/40/74/135074074.db2.gz ZTTGDZNWHNFSKY-GHMZBOCLSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)N(C)CC#CC ZINC000339767125 135081814 /nfs/dbraw/zinc/08/18/14/135081814.db2.gz YLBNHDLCXWXTHN-JTQLQIEISA-N 1 0 237.303 0.342 20 30 BCEDRO Cc1nn(C)c(C)c1CNC1=[NH+]CCN1C ZINC000261591463 135109504 /nfs/dbraw/zinc/10/95/04/135109504.db2.gz VKRRVGJAGHYNOQ-UHFFFAOYSA-N 1 0 221.308 0.428 20 30 BCEDRO CN1CC[NH+]=C1NCc1cccc(C#N)c1 ZINC000261569150 135109575 /nfs/dbraw/zinc/10/95/75/135109575.db2.gz GFAYSVKYDWISHC-UHFFFAOYSA-N 1 0 214.272 0.949 20 30 BCEDRO C=CCNC(=[NH+]C)N(C)C[C@H]1CCOC1 ZINC000261671750 135111164 /nfs/dbraw/zinc/11/11/64/135111164.db2.gz PIZIDYFDGJFXHR-SNVBAGLBSA-N 1 0 211.309 0.716 20 30 BCEDRO C=CCNC(=[NH+]C)N(C)C[C@@H]1CCOC1 ZINC000261671748 135111174 /nfs/dbraw/zinc/11/11/74/135111174.db2.gz PIZIDYFDGJFXHR-JTQLQIEISA-N 1 0 211.309 0.716 20 30 BCEDRO CNC(NCC(=O)Nc1cccc(F)c1)=[NH+]C ZINC000261734856 135111565 /nfs/dbraw/zinc/11/15/65/135111565.db2.gz HSBNUARNZJHPSS-UHFFFAOYSA-N 1 0 238.266 0.559 20 30 BCEDRO [NH2+]=C(NCc1nnc2n1CCC2)NC1CCCC1 ZINC000261892547 135112064 /nfs/dbraw/zinc/11/20/64/135112064.db2.gz UELYLOJVSWYMAE-UHFFFAOYSA-N 1 0 248.334 0.571 20 30 BCEDRO CNC(=[NH2+])NC[C@H](c1ccco1)N(C)C ZINC000261886253 135112069 /nfs/dbraw/zinc/11/20/69/135112069.db2.gz RZQCNQSUXUAYSN-MRVPVSSYSA-N 1 0 210.281 0.416 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](O)c1ccccc1F ZINC000261900312 135112407 /nfs/dbraw/zinc/11/24/07/135112407.db2.gz VTWLTUNVEUYPAR-NSHDSACASA-N 1 0 237.278 0.949 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1c[nH]nc1C ZINC000261974679 135113410 /nfs/dbraw/zinc/11/34/10/135113410.db2.gz FNRYPVQYVLGYSM-UHFFFAOYSA-N 1 0 207.281 0.699 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCn1ccnc1C ZINC000261973003 135113540 /nfs/dbraw/zinc/11/35/40/135113540.db2.gz DTMQKIGPYVYZET-UHFFFAOYSA-N 1 0 221.308 0.672 20 30 BCEDRO C=CCNC(=[NH+]C)N1CCO[C@@H](COC)C1 ZINC000262003720 135113990 /nfs/dbraw/zinc/11/39/90/135113990.db2.gz UISZDBBBUFTLMP-SNVBAGLBSA-N 1 0 227.308 0.095 20 30 BCEDRO CNC(=[NH2+])N1CC[C@@H](C)[C@H](n2ccnc2)C1 ZINC000262015723 135114019 /nfs/dbraw/zinc/11/40/19/135114019.db2.gz XQCKTJZDBCGNEZ-NXEZZACHSA-N 1 0 221.308 0.711 20 30 BCEDRO C[NH+]=C(NCCc1nc(C)no1)N1CCCC1 ZINC000262089281 135114104 /nfs/dbraw/zinc/11/41/04/135114104.db2.gz GOAHJWBBNJJXNA-UHFFFAOYSA-N 1 0 237.307 0.592 20 30 BCEDRO CN/C(=[NH+]/C)N1CC[C@H](C)[C@H](n2ccnc2)C1 ZINC000262000375 135114265 /nfs/dbraw/zinc/11/42/65/135114265.db2.gz UFTUZDMYJRULLV-WDEREUQCSA-N 1 0 235.335 0.971 20 30 BCEDRO C[NH+]=C(NCCn1ccnc1)NC1CC1 ZINC000262102533 135115390 /nfs/dbraw/zinc/11/53/90/135115390.db2.gz JARXXIBVXMTSCT-UHFFFAOYSA-N 1 0 207.281 0.211 20 30 BCEDRO C[NH+]=C(NCc1ccccn1)NC1CC1 ZINC000262134114 135115414 /nfs/dbraw/zinc/11/54/14/135115414.db2.gz OMSCCGZIHYZIES-UHFFFAOYSA-N 1 0 204.277 0.909 20 30 BCEDRO C[NH+]=C(NCc1ccnn1C)NC1CC1 ZINC000262135453 135116063 /nfs/dbraw/zinc/11/60/63/135116063.db2.gz OPAHZAMFNIHTAV-UHFFFAOYSA-N 1 0 207.281 0.248 20 30 BCEDRO CN(C(=[NH2+])NCc1ccn(C)c1)C1CC1 ZINC000262263842 135116781 /nfs/dbraw/zinc/11/67/81/135116781.db2.gz RQNMCASQXCFWEA-UHFFFAOYSA-N 1 0 206.293 0.934 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCn1cc(C)cn1 ZINC000262285901 135117655 /nfs/dbraw/zinc/11/76/55/135117655.db2.gz MKAJGAQYLKTGGY-JTQLQIEISA-N 1 0 223.324 0.894 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@](C)(O)c1ccco1 ZINC000262302826 135118042 /nfs/dbraw/zinc/11/80/42/135118042.db2.gz APJMIEDDVWJCHC-LBPRGKRZSA-N 1 0 237.303 0.968 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCc1nnc(C)s1 ZINC000262288861 135118138 /nfs/dbraw/zinc/11/81/38/135118138.db2.gz KVYHHUAKYZYPSH-UHFFFAOYSA-N 1 0 239.348 0.869 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@]1(N(C)C)CCSC1 ZINC000262431382 135118723 /nfs/dbraw/zinc/11/87/23/135118723.db2.gz FCQJLHKJCRLQQU-JTQLQIEISA-N 1 0 230.381 0.300 20 30 BCEDRO CN1CC[NH+]=C1NC[C@]1(O)CCc2ccccc21 ZINC000262478625 135118758 /nfs/dbraw/zinc/11/87/58/135118758.db2.gz CRNTZWGBHRCLBU-CQSZACIVSA-N 1 0 245.326 0.711 20 30 BCEDRO C[NH+]=C(NCc1noc(C)n1)N[C@H]1C[C@@H]1C ZINC000262439422 135118854 /nfs/dbraw/zinc/11/88/54/135118854.db2.gz COKWHNPQDMTSRO-XPUUQOCRSA-N 1 0 223.280 0.451 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H](c2ccco2)N(C)C)N1 ZINC000262479855 135119162 /nfs/dbraw/zinc/11/91/62/135119162.db2.gz CVSHZJDEVBYIDZ-UWVGGRQHSA-N 1 0 236.319 0.820 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262479840 135119169 /nfs/dbraw/zinc/11/91/69/135119169.db2.gz CUYLGQRBVJNMMZ-AXFHLTTASA-N 1 0 223.320 0.905 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2ccc(O)c(F)c2)N1 ZINC000262627020 135119854 /nfs/dbraw/zinc/11/98/54/135119854.db2.gz DRYCCKMQLQVTGB-SSDOTTSWSA-N 1 0 223.251 0.969 20 30 BCEDRO COc1ccccc1[C@@H](O)CNC1=[NH+]CCN1C ZINC000262659131 135120219 /nfs/dbraw/zinc/12/02/19/135120219.db2.gz MMPCYLWJVHUAOS-NSHDSACASA-N 1 0 249.314 0.620 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC#Cc2ccccc2)N1 ZINC000262640975 135120300 /nfs/dbraw/zinc/12/03/00/135120300.db2.gz HUKQYWXURXUKPA-LLVKDONJSA-N 1 0 213.284 0.975 20 30 BCEDRO CN1CC[NH+]=C1NCCc1cccc(C(N)=O)c1 ZINC000262650616 135120718 /nfs/dbraw/zinc/12/07/18/135120718.db2.gz KIBVKJNDYQEWTE-UHFFFAOYSA-N 1 0 246.314 0.219 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@](C)(O)c2cccs2)N1 ZINC000262681241 135120963 /nfs/dbraw/zinc/12/09/63/135120963.db2.gz WFDTUROIBFIBEC-KCJUWKMLSA-N 1 0 239.344 0.893 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2cn3ccccc3n2)N1 ZINC000262680723 135121152 /nfs/dbraw/zinc/12/11/52/135121152.db2.gz WBRQGXBUOHSSPW-VIFPVBQESA-N 1 0 229.287 0.772 20 30 BCEDRO CN1CC[NH+]=C1NC[C@](C)(O)c1cccs1 ZINC000262671371 135121233 /nfs/dbraw/zinc/12/12/33/135121233.db2.gz RFEBCEHMTNMEDU-NSHDSACASA-N 1 0 239.344 0.847 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@]1(O)CCO[C@@H]1C ZINC000262862406 135122672 /nfs/dbraw/zinc/12/26/72/135122672.db2.gz UGDRXIDAQXHQEA-MWLCHTKSSA-N 1 0 227.308 0.007 20 30 BCEDRO CNC(NCc1ccc(OC)cn1)=[NH+]C ZINC000262957539 135123250 /nfs/dbraw/zinc/12/32/50/135123250.db2.gz PSXXHDDEXGOHNG-UHFFFAOYSA-N 1 0 208.265 0.385 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(OC)cn1 ZINC000262948454 135123488 /nfs/dbraw/zinc/12/34/88/135123488.db2.gz OLKPDPNECYTZFK-UHFFFAOYSA-N 1 0 220.276 0.681 20 30 BCEDRO NC(=[NH2+])NC[C@@H]1CCOc2ccccc21 ZINC000263189260 135125105 /nfs/dbraw/zinc/12/51/05/135125105.db2.gz XYCKZTRSQSROMR-QMMMGPOBSA-N 1 0 205.261 0.826 20 30 BCEDRO CNC(=O)CNC(=[NH+]C)N1CCc2ccccc21 ZINC000263117776 135125556 /nfs/dbraw/zinc/12/55/56/135125556.db2.gz GCIKVQNKEYFUJG-UHFFFAOYSA-N 1 0 246.314 0.371 20 30 BCEDRO CCCCNC(=[NH2+])NCCCn1cccn1 ZINC000264072046 135130900 /nfs/dbraw/zinc/13/09/00/135130900.db2.gz GGVWNWYPHJUGEZ-UHFFFAOYSA-N 1 0 223.324 0.978 20 30 BCEDRO COc1ccc(CNC(=[NH2+])N(C)C)cc1O ZINC000264071025 135130924 /nfs/dbraw/zinc/13/09/24/135130924.db2.gz DEFFIVTVCZORTM-UHFFFAOYSA-N 1 0 223.276 0.777 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](O)C(F)(F)F ZINC000264067898 135131054 /nfs/dbraw/zinc/13/10/54/135131054.db2.gz FJEBMXONCZHMKP-ZCFIWIBFSA-N 1 0 225.214 0.390 20 30 BCEDRO CNC(=[NH2+])NCCOc1ccccc1C ZINC000264071720 135131097 /nfs/dbraw/zinc/13/10/97/135131097.db2.gz DKOVRQXVIFIMNJ-UHFFFAOYSA-N 1 0 207.277 0.908 20 30 BCEDRO CNC(NC[C@@H](O)c1cccc(F)c1)=[NH+]C ZINC000264071873 135131127 /nfs/dbraw/zinc/13/11/27/135131127.db2.gz DMJNIHZVQLHTMI-SNVBAGLBSA-N 1 0 225.267 0.654 20 30 BCEDRO NC(=[NH2+])NC[C@@H]1CCN(c2ccccc2)C1 ZINC000264068788 135131231 /nfs/dbraw/zinc/13/12/31/135131231.db2.gz CNURVIQBBXHTNL-JTQLQIEISA-N 1 0 218.304 0.786 20 30 BCEDRO Cn1nc2c(cc1=O)C[N@@H+](CCCCC#N)CC2 ZINC000078622610 135131512 /nfs/dbraw/zinc/13/15/12/135131512.db2.gz DHQHCLZLCSAVAZ-UHFFFAOYSA-N 1 0 246.314 0.832 20 30 BCEDRO CCCNC(=[NH2+])NCCNC(=O)c1ccccc1 ZINC000264083181 135131600 /nfs/dbraw/zinc/13/16/00/135131600.db2.gz IXSXYTUDGHHFIU-UHFFFAOYSA-N 1 0 248.330 0.731 20 30 BCEDRO [NH2+]=C(NCCc1ccc(O)cc1)N1CCOCC1 ZINC000264079133 135131622 /nfs/dbraw/zinc/13/16/22/135131622.db2.gz HZVNQYQXUCBCID-UHFFFAOYSA-N 1 0 249.314 0.582 20 30 BCEDRO CCCNC(=O)c1cccc(CNC(=[NH2+])NC)c1 ZINC000264073102 135131740 /nfs/dbraw/zinc/13/17/40/135131740.db2.gz DUHBQZGZEJIYQS-UHFFFAOYSA-N 1 0 248.330 0.861 20 30 BCEDRO CC(=O)Nc1ccc(CCNC(N)=[NH2+])cc1 ZINC000264085312 135132359 /nfs/dbraw/zinc/13/23/59/135132359.db2.gz JDFIXBVJYQZOHP-UHFFFAOYSA-N 1 0 220.276 0.461 20 30 BCEDRO C=CCNC(=[NH2+])NCCCn1cccn1 ZINC000264091448 135132651 /nfs/dbraw/zinc/13/26/51/135132651.db2.gz KZBPZXUSWIMKKL-UHFFFAOYSA-N 1 0 207.281 0.364 20 30 BCEDRO COc1ccccc1[C@@H](O)CNC(N)=[NH2+] ZINC000264103224 135133205 /nfs/dbraw/zinc/13/32/05/135133205.db2.gz OQGYCXLDFQESIM-QMMMGPOBSA-N 1 0 209.249 0.002 20 30 BCEDRO CNC(NC[C@H](O)c1ccccc1F)=[NH+]C ZINC000264101597 135133391 /nfs/dbraw/zinc/13/33/91/135133391.db2.gz OGAKDPYRAJHGGL-JTQLQIEISA-N 1 0 225.267 0.654 20 30 BCEDRO COc1ccccc1[C@@H](O)CNC(=[NH2+])NC1CC1 ZINC000264104549 135133396 /nfs/dbraw/zinc/13/33/96/135133396.db2.gz PCZJKPKMQBIFJJ-NSHDSACASA-N 1 0 249.314 0.795 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCCn1ccnc1 ZINC000264121165 135134146 /nfs/dbraw/zinc/13/41/46/135134146.db2.gz RBFSQDBEDNLTSZ-SNVBAGLBSA-N 1 0 239.323 0.212 20 30 BCEDRO Cc1noc(CCCNC(=[NH2+])NCC(C)C)n1 ZINC000264278439 135137145 /nfs/dbraw/zinc/13/71/45/135137145.db2.gz NCIVIATYGHOTBT-UHFFFAOYSA-N 1 0 239.323 0.871 20 30 BCEDRO CNC(NCc1cccc(OC)c1O)=[NH+]C ZINC000264319473 135138005 /nfs/dbraw/zinc/13/80/05/135138005.db2.gz XCWMKBFKKICISS-UHFFFAOYSA-N 1 0 223.276 0.696 20 30 BCEDRO CNC(NC[C@](C)(O)c1ccco1)=[NH+]C ZINC000266074464 135147384 /nfs/dbraw/zinc/14/73/84/135147384.db2.gz ABBVOUGIOZBQSH-JTQLQIEISA-N 1 0 211.265 0.282 20 30 BCEDRO CNC(NC[C@](C)(O)c1cc(C)oc1C)=[NH+]C ZINC000266092497 135147886 /nfs/dbraw/zinc/14/78/86/135147886.db2.gz FANRMHNDLZEKPO-LBPRGKRZSA-N 1 0 239.319 0.899 20 30 BCEDRO C=C(Br)CNC(=O)[C@H]1CC[NH2+]1 ZINC000261528810 135153987 /nfs/dbraw/zinc/15/39/87/135153987.db2.gz ODSIQSVHTVBDFN-ZCFIWIBFSA-N 1 0 219.082 0.373 20 30 BCEDRO CNC(=[NH2+])NC[C@@](C)(O)c1ccc(F)cc1F ZINC000267406102 135154221 /nfs/dbraw/zinc/15/42/21/135154221.db2.gz GZDJUVFJCLDXJG-LLVKDONJSA-N 1 0 243.257 0.706 20 30 BCEDRO CCCCNC(=[NH2+])NCCc1noc(CC)n1 ZINC000267433040 135154282 /nfs/dbraw/zinc/15/42/82/135154282.db2.gz NBGHPNJHEWSYQW-UHFFFAOYSA-N 1 0 239.323 0.879 20 30 BCEDRO COCCNC(=[NH2+])NC[C@](C)(O)c1ccco1 ZINC000267425565 135154298 /nfs/dbraw/zinc/15/42/98/135154298.db2.gz LKNMUZJWXPKRJM-NSHDSACASA-N 1 0 241.291 0.038 20 30 BCEDRO COc1cccc([C@H](O)CNC(N)=[NH2+])c1 ZINC000267448605 135154742 /nfs/dbraw/zinc/15/47/42/135154742.db2.gz QRBAERSARNPEJU-SECBINFHSA-N 1 0 209.249 0.002 20 30 BCEDRO C=C(Cl)CNC(=[NH2+])N[C@H](C)COC ZINC000267445369 135154885 /nfs/dbraw/zinc/15/48/85/135154885.db2.gz PYFAIICAUARCMQ-SSDOTTSWSA-N 1 0 205.689 0.678 20 30 BCEDRO [NH2+]=C(NCC#Cc1ccccc1)N1CCOCC1 ZINC000267442208 135154892 /nfs/dbraw/zinc/15/48/92/135154892.db2.gz PEYMOVXTLZOSCM-UHFFFAOYSA-N 1 0 243.310 0.685 20 30 BCEDRO COCCNC(=[NH2+])NCCc1ccncc1 ZINC000267456583 135155018 /nfs/dbraw/zinc/15/50/18/135155018.db2.gz SXUXRUCLMTXSQH-UHFFFAOYSA-N 1 0 222.292 0.175 20 30 BCEDRO CNC(=[NH2+])NCCn1cc(Br)cn1 ZINC000261529617 135155695 /nfs/dbraw/zinc/15/56/95/135155695.db2.gz UHYXSQUOFMWCHM-UHFFFAOYSA-N 1 0 246.112 0.180 20 30 BCEDRO CNC(NCCn1c2ccccc2[nH]c1=O)=[NH+]C ZINC000267640796 135156249 /nfs/dbraw/zinc/15/62/49/135156249.db2.gz KYSPKSZVDOIICY-UHFFFAOYSA-N 1 0 247.302 0.124 20 30 BCEDRO C=C(Br)CNC1=[NH+]CCN1C ZINC000261530375 135157594 /nfs/dbraw/zinc/15/75/94/135157594.db2.gz ZBPZCFRKIVUJLO-UHFFFAOYSA-N 1 0 218.098 0.786 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2ccccn2)N1 ZINC000261530787 135159099 /nfs/dbraw/zinc/15/90/99/135159099.db2.gz DBEWNTKSLHJPGZ-VIFPVBQESA-N 1 0 204.277 0.561 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000261532300 135162387 /nfs/dbraw/zinc/16/23/87/135162387.db2.gz ACWFRLAKTJKFEI-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO Cc1c(CNC2=[NH+]CCN2C)cnn1C ZINC000261532240 135162399 /nfs/dbraw/zinc/16/23/99/135162399.db2.gz JSUZBWSEBJVDAR-UHFFFAOYSA-N 1 0 207.281 0.120 20 30 BCEDRO CNC(=[NH2+])NCCOc1ncccc1F ZINC000269470090 135165339 /nfs/dbraw/zinc/16/53/39/135165339.db2.gz KVMMNORMMSAACR-UHFFFAOYSA-N 1 0 212.228 0.134 20 30 BCEDRO CNC(NCc1cn(C)nc1C(F)(F)F)=[NH+]C ZINC000269596508 135166283 /nfs/dbraw/zinc/16/62/83/135166283.db2.gz GHLMFDKIIPGKBO-UHFFFAOYSA-N 1 0 249.240 0.734 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](CO)c1ccccc1 ZINC000270169980 135169470 /nfs/dbraw/zinc/16/94/70/135169470.db2.gz ZXIHXQUUTXNPKN-NSHDSACASA-N 1 0 221.304 0.687 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@](C)(O)C(F)(F)F ZINC000270499169 135172460 /nfs/dbraw/zinc/17/24/60/135172460.db2.gz UBNKFELSNZWGJQ-QMMMGPOBSA-N 1 0 239.241 0.780 20 30 BCEDRO CO[C@](C)(CNC1=[NH+]C[C@H](C)N1)C1CC1 ZINC000261538554 135176616 /nfs/dbraw/zinc/17/66/16/135176616.db2.gz YNDRSVGFAVYHLQ-GZMMTYOYSA-N 1 0 211.309 0.739 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2ccc3c(c2)OCO3)N1 ZINC000261543342 135184095 /nfs/dbraw/zinc/18/40/95/135184095.db2.gz CXDTZVJDJFGMOK-QMMMGPOBSA-N 1 0 233.271 0.853 20 30 BCEDRO C=CCOCc1nc(C[C@H](C)[NH2+]C)no1 ZINC000261543434 135184238 /nfs/dbraw/zinc/18/42/38/135184238.db2.gz HTNONIBWWLIQLF-QMMMGPOBSA-N 1 0 211.265 0.923 20 30 BCEDRO C=CCCS(=O)(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000261560097 135201413 /nfs/dbraw/zinc/20/14/13/135201413.db2.gz ZOSSLGCGLXCZJA-JTQLQIEISA-N 1 0 232.349 0.482 20 30 BCEDRO C=CCN(C)Cc1nc(C(C)(C)[NH3+])no1 ZINC000261563838 135206409 /nfs/dbraw/zinc/20/64/09/135206409.db2.gz CBYBBQRXIQOOSC-UHFFFAOYSA-N 1 0 210.281 0.881 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261568085 135210072 /nfs/dbraw/zinc/21/00/72/135210072.db2.gz FHQBADLADLBYHT-NXEZZACHSA-N 1 0 232.349 0.561 20 30 BCEDRO COc1ccc(CNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000261568456 135210112 /nfs/dbraw/zinc/21/01/12/135210112.db2.gz FQAQZBHDSYGMSH-MRVPVSSYSA-N 1 0 220.276 0.528 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261568363 135210662 /nfs/dbraw/zinc/21/06/62/135210662.db2.gz FLIFVCUWRPJSJM-NXEZZACHSA-N 1 0 212.293 0.385 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261573375 135214769 /nfs/dbraw/zinc/21/47/69/135214769.db2.gz ITEAVOQGYKMREY-NXEZZACHSA-N 1 0 212.293 0.385 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCC(=O)NC(C)(C)C)N1 ZINC000261581239 135221442 /nfs/dbraw/zinc/22/14/42/135221442.db2.gz NLCXHCGVPYCQJD-MRVPVSSYSA-N 1 0 226.324 0.229 20 30 BCEDRO C=CCCC[N@@H+](C)CC(=O)NC(=O)NCC ZINC000121148377 135221863 /nfs/dbraw/zinc/22/18/63/135221863.db2.gz STHMUWWSKHGHAN-UHFFFAOYSA-N 1 0 227.308 0.730 20 30 BCEDRO C=CCNC(=O)[C@@H](C)NCC1([NH3+])CCC1 ZINC000261582367 135223514 /nfs/dbraw/zinc/22/35/14/135223514.db2.gz OGPWHVQMRKGQDZ-SECBINFHSA-N 1 0 211.309 0.148 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[C@H](C[NH3+])C1 ZINC000044531322 135226547 /nfs/dbraw/zinc/22/65/47/135226547.db2.gz ZPLFQSPKIJEJQM-WDEREUQCSA-N 1 0 225.336 0.348 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](O)C[C@@H]1C ZINC000340921310 135232176 /nfs/dbraw/zinc/23/21/76/135232176.db2.gz KYBPSZKKTGUCAZ-WDEREUQCSA-N 1 0 239.319 0.204 20 30 BCEDRO CC#CCN(C)C(=O)[C@@H](C)N1CCOCC1 ZINC000341082094 135234336 /nfs/dbraw/zinc/23/43/36/135234336.db2.gz LKCNRAIQBAVIIL-LLVKDONJSA-N 1 0 224.304 0.189 20 30 BCEDRO CNC(=O)CC1CCN(/C(=[NH+]/C)N(C)C)CC1 ZINC000261682573 135244800 /nfs/dbraw/zinc/24/48/00/135244800.db2.gz DFSKUGUPKBPSJT-WYMLVPIESA-N 1 0 240.351 0.382 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(OC)nc1 ZINC000261685808 135245826 /nfs/dbraw/zinc/24/58/26/135245826.db2.gz AJZBCHUYXXEBLJ-UHFFFAOYSA-N 1 0 220.276 0.681 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCCCO1 ZINC000261711269 135247510 /nfs/dbraw/zinc/24/75/10/135247510.db2.gz DTCRCEMNAKTTTK-WDEREUQCSA-N 1 0 241.335 0.639 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000342207881 135253139 /nfs/dbraw/zinc/25/31/39/135253139.db2.gz UPBXNABUAVPOLY-NXEZZACHSA-N 1 0 211.309 0.954 20 30 BCEDRO [NH2+]=C(NCCn1cncn1)NC1CCCC1 ZINC000261893525 135261000 /nfs/dbraw/zinc/26/10/00/135261000.db2.gz UHZVXLKGDURJCQ-UHFFFAOYSA-N 1 0 222.296 0.125 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCn1cccn1 ZINC000261909141 135261749 /nfs/dbraw/zinc/26/17/49/135261749.db2.gz XRPUAUDSFFIFJO-VIFPVBQESA-N 1 0 209.297 0.586 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCOC1)NC[C@@H]1CCCO1 ZINC000261914204 135262393 /nfs/dbraw/zinc/26/23/93/135262393.db2.gz ZAABVUUGRBRXMZ-UWVGGRQHSA-N 1 0 227.308 0.106 20 30 BCEDRO CC1(C)C[C@@H]1NC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261911020 135262932 /nfs/dbraw/zinc/26/29/32/135262932.db2.gz YDBZRJHPVXYTST-IUCAKERBSA-N 1 0 211.309 0.868 20 30 BCEDRO C[NH+]=C(NC1CCC1)N1CCO[C@H](COC)C1 ZINC000261929574 135263720 /nfs/dbraw/zinc/26/37/20/135263720.db2.gz LJNZQDPTHOZTMK-NSHDSACASA-N 1 0 241.335 0.462 20 30 BCEDRO C[NH+]=C(NC1CC1)N1CC[C@]2(CCOC2)C1 ZINC000261943747 135265332 /nfs/dbraw/zinc/26/53/32/135265332.db2.gz FDZJARLUOOPIFE-LBPRGKRZSA-N 1 0 223.320 0.837 20 30 BCEDRO C=CCNC(=[NH+]C)N1CC[C@]2(CCOC2)C1 ZINC000262003529 135271229 /nfs/dbraw/zinc/27/12/29/135271229.db2.gz UZZWALGMZWAQDE-LBPRGKRZSA-N 1 0 223.320 0.860 20 30 BCEDRO C=CCNC(=[NH+]C)N1CC[C@@]2(CCOC2)C1 ZINC000262003527 135271424 /nfs/dbraw/zinc/27/14/24/135271424.db2.gz UZZWALGMZWAQDE-GFCCVEGCSA-N 1 0 223.320 0.860 20 30 BCEDRO Cc1nccn1CCNC(=[NH2+])NCC1CCC1 ZINC000262001028 135271585 /nfs/dbraw/zinc/27/15/85/135271585.db2.gz PSCKNUCBBFKLKX-UHFFFAOYSA-N 1 0 235.335 0.896 20 30 BCEDRO Cn1ccnc1CNC(=[NH2+])N1CCSCC1 ZINC000262006381 135272030 /nfs/dbraw/zinc/27/20/30/135272030.db2.gz RQBJVPKNQLXCPN-UHFFFAOYSA-N 1 0 239.348 0.284 20 30 BCEDRO CN(C)C(=[NH+]CCNc1cnccn1)N(C)C ZINC000262024985 135273710 /nfs/dbraw/zinc/27/37/10/135273710.db2.gz ZDUAUZDGYPFXFD-UHFFFAOYSA-N 1 0 236.323 0.368 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NCc1nncn1C ZINC000262068665 135277194 /nfs/dbraw/zinc/27/71/94/135277194.db2.gz BRYZNSQCBSIVTL-UHFFFAOYSA-N 1 0 248.290 0.273 20 30 BCEDRO CN(C(=[NH2+])NC[C@H]1CCC[C@@H]1O)C1CC1 ZINC000262221322 135285611 /nfs/dbraw/zinc/28/56/11/135285611.db2.gz KMZULMYABYQQJL-SCZZXKLOSA-N 1 0 211.309 0.556 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CCCCS1(=O)=O ZINC000262282007 135289630 /nfs/dbraw/zinc/28/96/30/135289630.db2.gz VVBSIGIKIKHPGI-SECBINFHSA-N 1 0 245.348 0.044 20 30 BCEDRO CN(C)C(=[NH+]CC1(CO)CCC1)N(C)C ZINC000262280800 135289906 /nfs/dbraw/zinc/28/99/06/135289906.db2.gz VOLIQGSGKKUYTI-UHFFFAOYSA-N 1 0 213.325 0.628 20 30 BCEDRO Cn1nncc1CNC(=[NH2+])N1CCCCCC1 ZINC000262335028 135293740 /nfs/dbraw/zinc/29/37/40/135293740.db2.gz WSJYJIJDBSLXAA-UHFFFAOYSA-N 1 0 236.323 0.506 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H]1CCCSC1 ZINC000262333134 135293867 /nfs/dbraw/zinc/29/38/67/135293867.db2.gz WCIIZTKDQDKYSI-VIFPVBQESA-N 1 0 231.365 0.680 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCC1(C)OCCO1 ZINC000262352283 135294761 /nfs/dbraw/zinc/29/47/61/135294761.db2.gz GBDBXPCRDSFHCH-SECBINFHSA-N 1 0 229.324 0.842 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@]1(C)CCCC[C@H]1O ZINC000262419802 135296477 /nfs/dbraw/zinc/29/64/77/135296477.db2.gz BAZIWTANGSQNNW-ZYHUDNBSSA-N 1 0 225.336 0.819 20 30 BCEDRO CC1(C)[C@H](O)C[C@H]1NC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262431622 135296714 /nfs/dbraw/zinc/29/67/14/135296714.db2.gz JXNGZEJFCDSYAG-IVZWLZJFSA-N 1 0 241.335 0.229 20 30 BCEDRO C[NH+]=C(NC1CC1)N[C@H]1CCn2ccnc2C1 ZINC000262434222 135296889 /nfs/dbraw/zinc/29/68/89/135296889.db2.gz KVZDSVAHKNIPOI-JTQLQIEISA-N 1 0 233.319 0.525 20 30 BCEDRO CC1(C)[C@H](O)C[C@@H]1NC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262431625 135297034 /nfs/dbraw/zinc/29/70/34/135297034.db2.gz JXNGZEJFCDSYAG-LPEHRKFASA-N 1 0 241.335 0.229 20 30 BCEDRO COCCNC(=[NH2+])NCc1nc(C)c(C)s1 ZINC000262384900 135298288 /nfs/dbraw/zinc/29/82/88/135298288.db2.gz LEQAYEJBZFLWAD-UHFFFAOYSA-N 1 0 242.348 0.811 20 30 BCEDRO C[C@H]1C[C@H]1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262446682 135299715 /nfs/dbraw/zinc/29/97/15/135299715.db2.gz IWPDTDOENJQBQR-AEJSXWLSSA-N 1 0 211.309 0.678 20 30 BCEDRO CCn1ncnc1CNC(=[NH2+])NC(C)(C)C ZINC000262456396 135299992 /nfs/dbraw/zinc/29/99/92/135299992.db2.gz LHXNKPHSQUABST-UHFFFAOYSA-N 1 0 224.312 0.501 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCSC2)CCO1 ZINC000262460695 135300084 /nfs/dbraw/zinc/30/00/84/135300084.db2.gz MGYYKIDWBQQSEF-ZJUUUORDSA-N 1 0 243.376 0.775 20 30 BCEDRO C=CCNC(NCc1c(C)nn(C)c1C)=[NH+]C ZINC000262451239 135300297 /nfs/dbraw/zinc/30/02/97/135300297.db2.gz WAEHVKSELDDLBE-UHFFFAOYSA-N 1 0 235.335 0.888 20 30 BCEDRO CCNC(N[C@@H]1C[C@@H](O)C1(C)C)=[NH+]CC ZINC000262456814 135300355 /nfs/dbraw/zinc/30/03/55/135300355.db2.gz UGEHNMRADCRVEI-RKDXNWHRSA-N 1 0 213.325 0.721 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])N[C@@H]2C[C@H](O)C2(C)C)CCO1 ZINC000262455751 135300440 /nfs/dbraw/zinc/30/04/40/135300440.db2.gz LBMPHMPTOPWTHJ-BBBLOLIVSA-N 1 0 241.335 0.181 20 30 BCEDRO CN(C)C(=[NH+]C[C@@]1(CCO)CCOC1)N(C)C ZINC000262460645 135300450 /nfs/dbraw/zinc/30/04/50/135300450.db2.gz FUFDCIYBSPUGSK-GFCCVEGCSA-N 1 0 243.351 0.255 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262466562 135300698 /nfs/dbraw/zinc/30/06/98/135300698.db2.gz YDCJPEYMFNUILS-UWVGGRQHSA-N 1 0 235.335 0.901 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCCOCC2CC2)CCO1 ZINC000262466927 135300795 /nfs/dbraw/zinc/30/07/95/135300795.db2.gz NUQIOVRANNIMLY-SNVBAGLBSA-N 1 0 241.335 0.448 20 30 BCEDRO C=C(C)CNC(=[NH2+])N[C@H]1CCn2ccnc2C1 ZINC000262471046 135301354 /nfs/dbraw/zinc/30/13/54/135301354.db2.gz NVPPPVWPDADBSW-JTQLQIEISA-N 1 0 233.319 0.678 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H]2COc3ccccc3O2)N1 ZINC000262477793 135301911 /nfs/dbraw/zinc/30/19/11/135301911.db2.gz CKNKWTYTALFDOK-ZJUUUORDSA-N 1 0 247.298 0.764 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@@]2(C)CCOC2)CCO1 ZINC000262487174 135301946 /nfs/dbraw/zinc/30/19/46/135301946.db2.gz SVWNMXFUOGRAAN-ZYHUDNBSSA-N 1 0 241.335 0.448 20 30 BCEDRO CCO[C@@H]1C[C@](O)(CNC(NC)=[NH+]C)C1(C)C ZINC000262491583 135302446 /nfs/dbraw/zinc/30/24/46/135302446.db2.gz JHZZTHIXYRWOLQ-SKDRFNHKSA-N 1 0 243.351 0.347 20 30 BCEDRO Cc1n[nH]cc1CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262489914 135302570 /nfs/dbraw/zinc/30/25/70/135302570.db2.gz UMIOEKXQMALCJI-MRVPVSSYSA-N 1 0 237.307 0.254 20 30 BCEDRO C[NH+]=C(NCC1(OC)CCC1)NC1CC1 ZINC000262540503 135304431 /nfs/dbraw/zinc/30/44/31/135304431.db2.gz LAKJPEQNNLUAAS-UHFFFAOYSA-N 1 0 211.309 0.883 20 30 BCEDRO C=CC1CCN(C(=O)[C@H]2C[C@H](O)C[NH2+]2)CC1 ZINC000262551653 135305106 /nfs/dbraw/zinc/30/51/06/135305106.db2.gz TYAMQRMRZFGYSA-WDEREUQCSA-N 1 0 224.304 0.134 20 30 BCEDRO [NH2+]=C(NCCn1cncn1)N1CCCCCC1 ZINC000262561315 135305561 /nfs/dbraw/zinc/30/55/61/135305561.db2.gz WKEMVBULXJHFEO-UHFFFAOYSA-N 1 0 236.323 0.469 20 30 BCEDRO [NH2+]=C(NC[C@H]1COCCO1)N1CCCCCC1 ZINC000262563446 135306127 /nfs/dbraw/zinc/30/61/27/135306127.db2.gz XBUXITQEWZEXFB-NSHDSACASA-N 1 0 241.335 0.593 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262573772 135306637 /nfs/dbraw/zinc/30/66/37/135306637.db2.gz ZNXPCFDKYSIBCO-WCBMZHEXSA-N 1 0 231.365 0.557 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCC2(C)OCCO2)N1 ZINC000262640599 135310589 /nfs/dbraw/zinc/31/05/89/135310589.db2.gz HRFMMVHENWTUCS-QMMMGPOBSA-N 1 0 213.281 0.077 20 30 BCEDRO C[C@H]1C[NH+]=C(NCC(=O)NC2CCCCC2)N1 ZINC000262642763 135310612 /nfs/dbraw/zinc/31/06/12/135310612.db2.gz IBZWVUKBXUUZIR-VIFPVBQESA-N 1 0 238.335 0.373 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCC(C)(C)O2)N1 ZINC000262651332 135310884 /nfs/dbraw/zinc/31/08/84/135310884.db2.gz KOFIKIMNGKIOMZ-RKDXNWHRSA-N 1 0 211.309 0.881 20 30 BCEDRO CN1CC[NH+]=C1NCCC1(C)OCCO1 ZINC000262647385 135311070 /nfs/dbraw/zinc/31/10/70/135311070.db2.gz JMLVJCWWBJWNFU-UHFFFAOYSA-N 1 0 213.281 0.031 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H]2CCC(C)(C)O2)N1 ZINC000262651328 135311127 /nfs/dbraw/zinc/31/11/27/135311127.db2.gz KOFIKIMNGKIOMZ-IUCAKERBSA-N 1 0 211.309 0.881 20 30 BCEDRO Cn1cnc(CNC(=[NH2+])N2CCCCCC2)n1 ZINC000262663421 135311842 /nfs/dbraw/zinc/31/18/42/135311842.db2.gz NSAHWNLXLLJJIJ-UHFFFAOYSA-N 1 0 236.323 0.506 20 30 BCEDRO CNC(=O)c1ccc(CNC2=[NH+]C[C@H](C)N2)cc1 ZINC000262676746 135312989 /nfs/dbraw/zinc/31/29/89/135312989.db2.gz UIVSJBOOTDFOSU-VIFPVBQESA-N 1 0 246.314 0.484 20 30 BCEDRO COCC1(CNC2=[NH+]C[C@@H](C)N2)CCOCC1 ZINC000262700419 135314665 /nfs/dbraw/zinc/31/46/65/135314665.db2.gz KHMHWVFRWFZKDW-SNVBAGLBSA-N 1 0 241.335 0.367 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@]1(OC)CCOC1 ZINC000262700153 135314990 /nfs/dbraw/zinc/31/49/90/135314990.db2.gz YROUSQGBEYZIFO-LLVKDONJSA-N 1 0 227.308 0.272 20 30 BCEDRO COCC1(CNC(=[NH2+])NC2CC2)CCOCC1 ZINC000262724089 135315385 /nfs/dbraw/zinc/31/53/85/135315385.db2.gz XSCVXULFVDWHPH-UHFFFAOYSA-N 1 0 241.335 0.496 20 30 BCEDRO Cc1nnsc1CNC(=[NH2+])NC(C)C ZINC000262717371 135315806 /nfs/dbraw/zinc/31/58/06/135315806.db2.gz SWCZSQOEMRVRTD-UHFFFAOYSA-N 1 0 213.310 0.659 20 30 BCEDRO C=CCC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC ZINC000342727501 135316029 /nfs/dbraw/zinc/31/60/29/135316029.db2.gz UOKYBBXEUKTTRG-QMMMGPOBSA-N 1 0 213.281 0.338 20 30 BCEDRO Cc1cccc(NC(=[NH2+])NCc2nnn(C)n2)c1 ZINC000262747584 135316483 /nfs/dbraw/zinc/31/64/83/135316483.db2.gz ASFGNSYXHJMYFB-UHFFFAOYSA-N 1 0 245.290 0.445 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)NC(=O)NCC(C)C ZINC000342735683 135316716 /nfs/dbraw/zinc/31/67/16/135316716.db2.gz IOPUULXOBIRHFY-UHFFFAOYSA-N 1 0 241.335 0.976 20 30 BCEDRO CC[C@@H]1C[C@H]1NC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262772429 135317008 /nfs/dbraw/zinc/31/70/08/135317008.db2.gz HOMFWUNNLDDSGZ-OPRDCNLKSA-N 1 0 211.309 0.820 20 30 BCEDRO CN(C)C(=[NH+]CCN1CCCOCC1)N(C)C ZINC000262766434 135317291 /nfs/dbraw/zinc/31/72/91/135317291.db2.gz HLEUWBRFINCSDF-UHFFFAOYSA-N 1 0 242.367 0.188 20 30 BCEDRO [NH2+]=C(NCCN1CCC1)NC1CCCC1 ZINC000262758451 135317610 /nfs/dbraw/zinc/31/76/10/135317610.db2.gz CHFGZWWOZJDXFK-UHFFFAOYSA-N 1 0 210.325 0.539 20 30 BCEDRO CNC(NCc1nnc(SC)s1)=[NH+]C ZINC000262790106 135318137 /nfs/dbraw/zinc/31/81/37/135318137.db2.gz NSMHMPAMKBMDIH-UHFFFAOYSA-N 1 0 231.350 0.555 20 30 BCEDRO CCCNC(=[NH2+])NCC1([S@@](C)=O)CC1 ZINC000262813203 135319740 /nfs/dbraw/zinc/31/97/40/135319740.db2.gz VVENFZNGEKUXGQ-CQSZACIVSA-N 1 0 217.338 0.212 20 30 BCEDRO C[NH+]=C(NC1CCC1)N[C@H]1CCC(=O)N(C)C1 ZINC000262820126 135319999 /nfs/dbraw/zinc/31/99/99/135319999.db2.gz XXQIBRQWBDBKGW-JTQLQIEISA-N 1 0 238.335 0.325 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@H](OC)C1(C)C ZINC000262855795 135321640 /nfs/dbraw/zinc/32/16/40/135321640.db2.gz XYNAWMNRXHFRCL-IVZWLZJFSA-N 1 0 243.351 0.739 20 30 BCEDRO C[S@@](=O)C1(CNC(=[NH2+])NC(C)(C)C)CCC1 ZINC000262844970 135322034 /nfs/dbraw/zinc/32/20/34/135322034.db2.gz VLKNLZDGHOEROD-MRXNPFEDSA-N 1 0 245.392 0.990 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cccnn1 ZINC000262886647 135322314 /nfs/dbraw/zinc/32/23/14/135322314.db2.gz GGMOMCDNHIEDCW-UHFFFAOYSA-N 1 0 205.265 0.457 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000334166499 135323428 /nfs/dbraw/zinc/32/34/28/135323428.db2.gz AQJIULIILQCLQG-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NCc1cccnn1 ZINC000262965437 135325511 /nfs/dbraw/zinc/32/55/11/135325511.db2.gz QXTJHPSNDPDORJ-UHFFFAOYSA-N 1 0 245.286 0.935 20 30 BCEDRO Cn1ccc(CNC(=[NH2+])NCC2CCC2)n1 ZINC000263023026 135327422 /nfs/dbraw/zinc/32/74/22/135327422.db2.gz RBKQQWULZOFEGA-UHFFFAOYSA-N 1 0 221.308 0.625 20 30 BCEDRO C[C@@H]1CCC[C@@]1(O)CNC(=[NH2+])N1CCC1 ZINC000263031859 135328532 /nfs/dbraw/zinc/32/85/32/135328532.db2.gz BKWDMKIGDKLFQV-MWLCHTKSSA-N 1 0 211.309 0.558 20 30 BCEDRO CCO[C@H]1C[C@@H](NC(=[NH2+])N2CCSCC2)C1 ZINC000263055103 135330143 /nfs/dbraw/zinc/33/01/43/135330143.db2.gz DVYWMANOSWBBKF-AOOOYVTPSA-N 1 0 243.376 0.917 20 30 BCEDRO CO[C@H]1COCC[C@@H]1CNC(=[NH2+])NC(C)C ZINC000263087010 135331620 /nfs/dbraw/zinc/33/16/20/135331620.db2.gz IMIIHBYRXGDQEQ-ZJUUUORDSA-N 1 0 229.324 0.351 20 30 BCEDRO CO[C@@H](CNC(=[NH2+])N1CCOCC1)C1CC1 ZINC000263084879 135331983 /nfs/dbraw/zinc/33/19/83/135331983.db2.gz IEDGSPRJXMPGSS-JTQLQIEISA-N 1 0 227.308 0.058 20 30 BCEDRO CO[C@H]1COCC[C@H]1CNC(=[NH2+])NC1CCC1 ZINC000263126132 135334038 /nfs/dbraw/zinc/33/40/38/135334038.db2.gz MMITWFPQEFKGBZ-ONGXEEELSA-N 1 0 241.335 0.495 20 30 BCEDRO CN(C(=[NH2+])NCc1nn(C)cc1Cl)C1CC1 ZINC000263131563 135334723 /nfs/dbraw/zinc/33/47/23/135334723.db2.gz NDAYBGRHCVIMKS-UHFFFAOYSA-N 1 0 241.726 0.982 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CCSC[C@H]1C#N ZINC000334297217 135335261 /nfs/dbraw/zinc/33/52/61/135335261.db2.gz AOQJECWHGDFPJN-SNVBAGLBSA-N 1 0 241.360 0.794 20 30 BCEDRO CC1(C)CC[C@H](CNC(=[NH2+])N2CCC2)O1 ZINC000263150382 135335517 /nfs/dbraw/zinc/33/55/17/135335517.db2.gz PIDNTGNPCMYHIW-SECBINFHSA-N 1 0 211.309 0.964 20 30 BCEDRO CNC(N[C@@H]1[C@H](C)[C@H](OC)C1(C)C)=[NH+]C ZINC000263159199 135336463 /nfs/dbraw/zinc/33/64/63/135336463.db2.gz OGQKUVJQXRIGJO-YIZRAAEISA-N 1 0 213.325 0.841 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCC1(C#N)CCC1 ZINC000263184765 135337880 /nfs/dbraw/zinc/33/78/80/135337880.db2.gz USKWSFIRPQVXEU-SECBINFHSA-N 1 0 224.308 0.619 20 30 BCEDRO COC(=O)c1ccc(CNC(=[NH2+])N2CCC2)o1 ZINC000263199716 135338862 /nfs/dbraw/zinc/33/88/62/135338862.db2.gz XBXCAHFFDJGJQE-UHFFFAOYSA-N 1 0 237.259 0.587 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCC2(C#N)CCC2)CCO1 ZINC000263214905 135339904 /nfs/dbraw/zinc/33/99/04/135339904.db2.gz ZSTSFFBDNDSHDB-SNVBAGLBSA-N 1 0 236.319 0.716 20 30 BCEDRO C=CCNC(NCc1nnc2n1CCC2)=[NH+]C ZINC000263235075 135341896 /nfs/dbraw/zinc/34/18/96/135341896.db2.gz JHFYWCGSFYUGON-UHFFFAOYSA-N 1 0 234.307 0.075 20 30 BCEDRO [NH2+]=C(NC1CC(F)(F)C1)N1CCOCC1 ZINC000263249902 135342565 /nfs/dbraw/zinc/34/25/65/135342565.db2.gz IYPATAYWDNMVHT-UHFFFAOYSA-N 1 0 219.235 0.431 20 30 BCEDRO [NH2+]=C(N[C@H]1CC12CCCC2)N1CCOCC1 ZINC000263300520 135345277 /nfs/dbraw/zinc/34/52/77/135345277.db2.gz ZEQIDOHLRWVYNW-JTQLQIEISA-N 1 0 223.320 0.966 20 30 BCEDRO C[NH+]1C[C@H]2CN(c3ccnc(C#N)c3)C[C@@H]2C1 ZINC000343056509 135346283 /nfs/dbraw/zinc/34/62/83/135346283.db2.gz XVOLCIAJUJICHF-QWRGUYRKSA-N 1 0 228.299 0.951 20 30 BCEDRO [NH2+]=C(NCc1cccc(CO)c1)NC1CC1 ZINC000267433835 135364278 /nfs/dbraw/zinc/36/42/78/135364278.db2.gz NCLHIFTZIZIFOC-UHFFFAOYSA-N 1 0 219.288 0.746 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](CC)CCOC ZINC000270816952 135365007 /nfs/dbraw/zinc/36/50/07/135365007.db2.gz XRJIGRFXELEQLM-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C[C@H]1CCCCC[N@@H+]1CC(=O)NCC#N ZINC000334345251 135366053 /nfs/dbraw/zinc/36/60/53/135366053.db2.gz ONZLXQFCBQYFFE-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1c(C)cnn1C ZINC000285911645 135372467 /nfs/dbraw/zinc/37/24/67/135372467.db2.gz KWCGYHSMIYMEBC-JTQLQIEISA-N 1 0 209.293 0.755 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCOC1(C)C ZINC000293764695 135376451 /nfs/dbraw/zinc/37/64/51/135376451.db2.gz PESQBFINKDJRKM-JTQLQIEISA-N 1 0 224.304 0.283 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000295127899 135378412 /nfs/dbraw/zinc/37/84/12/135378412.db2.gz AOJVPHKXVQIMES-NXEZZACHSA-N 1 0 226.320 0.834 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](O)[C@H]1C ZINC000295851482 135379904 /nfs/dbraw/zinc/37/99/04/135379904.db2.gz DJVHXVPVDMVOJZ-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000334399242 135387831 /nfs/dbraw/zinc/38/78/31/135387831.db2.gz DJHWEAHEXZDLPY-QWRGUYRKSA-N 1 0 238.335 0.882 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)NC1(C[NH+](C)C)CCC1 ZINC000331959233 135396801 /nfs/dbraw/zinc/39/68/01/135396801.db2.gz ADVZLNSEULBBIP-VIFPVBQESA-N 1 0 245.348 0.302 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000328710605 135464426 /nfs/dbraw/zinc/46/44/26/135464426.db2.gz BTPJQZNDNPHSNJ-VWYCJHECSA-N 1 0 231.303 0.875 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CCO)C(C)C ZINC000231040553 135576410 /nfs/dbraw/zinc/57/64/10/135576410.db2.gz AHFDVNFHAVFBQV-MNOVXSKESA-N 1 0 228.336 0.674 20 30 BCEDRO C#CCOc1ccc(C[NH2+][C@@H]2COC[C@H]2O)cc1 ZINC000295087180 135683474 /nfs/dbraw/zinc/68/34/74/135683474.db2.gz BOULRLLAOCWEAP-ZIAGYGMSSA-N 1 0 247.294 0.548 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000347655817 136001884 /nfs/dbraw/zinc/00/18/84/136001884.db2.gz NFGARXPEAZMIEI-PHIMTYICSA-N 1 0 224.304 0.209 20 30 BCEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000347758857 136011884 /nfs/dbraw/zinc/01/18/84/136011884.db2.gz YYEOAHHIVYTSLJ-GHMZBOCLSA-N 1 0 223.320 0.946 20 30 BCEDRO CC[N@H+](CCO)CCNC(=O)C1(C#N)CCC1 ZINC000347803433 136013117 /nfs/dbraw/zinc/01/31/17/136013117.db2.gz HFMSWMPPSPKMGU-UHFFFAOYSA-N 1 0 239.319 0.111 20 30 BCEDRO C=CCOCCC[NH+]1CCN(CCO)CC1 ZINC000347976771 136022903 /nfs/dbraw/zinc/02/29/03/136022903.db2.gz ZJPIEVGZVPHWJL-UHFFFAOYSA-N 1 0 228.336 0.189 20 30 BCEDRO C=CCOCCC[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000348047096 136030277 /nfs/dbraw/zinc/03/02/77/136030277.db2.gz LBXUZMRKHREOEW-LLVKDONJSA-N 1 0 242.319 0.026 20 30 BCEDRO C=CCNC(=O)[C@H](C)N[C@H](C)c1nc(C)no1 ZINC000348075007 136034257 /nfs/dbraw/zinc/03/42/57/136034257.db2.gz IIKAGHCWXABABD-JGVFFNPUSA-N 1 0 238.291 0.719 20 30 BCEDRO C=CCNC(=O)CN(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000348217323 136046872 /nfs/dbraw/zinc/04/68/72/136046872.db2.gz PMZOGECDRDCCFR-LBPRGKRZSA-N 1 0 237.347 0.457 20 30 BCEDRO Cc1ccc(C#N)cc1NC(=O)NC1C[NH2+]C1 ZINC000335349647 136067911 /nfs/dbraw/zinc/06/79/11/136067911.db2.gz TXZJOUGFWKZJOU-UHFFFAOYSA-N 1 0 230.271 0.960 20 30 BCEDRO N#CCCC1CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000335378836 136086604 /nfs/dbraw/zinc/08/66/04/136086604.db2.gz HWHLCORKXGJXTM-NSHDSACASA-N 1 0 221.304 0.891 20 30 BCEDRO C#C[C@H](CC)[NH2+][C@@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000894387597 583444025 /nfs/dbraw/zinc/44/40/25/583444025.db2.gz QPSMIRBVMNTVGQ-GARJFASQSA-N 1 0 229.345 0.811 20 30 BCEDRO C=CCCOCC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000644099402 397760109 /nfs/dbraw/zinc/76/01/09/397760109.db2.gz OUNATWUIOXPIMF-GFCCVEGCSA-N 1 0 238.331 0.932 20 30 BCEDRO [NH2+]=C(NCc1ccoc1)N1CCOCC1 ZINC000170904440 397825504 /nfs/dbraw/zinc/82/55/04/397825504.db2.gz BJRAQKMVMZOGRM-UHFFFAOYSA-N 1 0 209.249 0.427 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CCC[C@](C)(C#N)C1 ZINC000593977328 397965029 /nfs/dbraw/zinc/96/50/29/397965029.db2.gz PLRBWISOWXNJLX-CHWSQXEVSA-N 1 0 239.363 0.925 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@H]2CCC[NH2+]C2)nn1 ZINC000647697761 397929951 /nfs/dbraw/zinc/92/99/51/397929951.db2.gz ILQMCRIYGCOVDX-JTQLQIEISA-N 1 0 249.318 0.194 20 30 BCEDRO COCCCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151393 397943900 /nfs/dbraw/zinc/94/39/00/397943900.db2.gz ODTPDUQSJUZNLZ-LLVKDONJSA-N 1 0 212.293 0.763 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@](O)(CC#N)C1 ZINC000592151643 397945044 /nfs/dbraw/zinc/94/50/44/397945044.db2.gz PXHAPEOXBDTWHD-LLVKDONJSA-N 1 0 239.344 0.984 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CCC[NH2+][C@H]2C)nn1 ZINC000648128455 397924082 /nfs/dbraw/zinc/92/40/82/397924082.db2.gz UVPDONLDIJVDOY-UWVGGRQHSA-N 1 0 249.318 0.334 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CCC(=O)N1 ZINC000649622663 398007063 /nfs/dbraw/zinc/00/70/63/398007063.db2.gz PWIUFQSAFLYYQJ-AXFHLTTASA-N 1 0 224.304 0.588 20 30 BCEDRO C=CCN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000649625623 398010016 /nfs/dbraw/zinc/01/00/16/398010016.db2.gz OZIPXWMCAMLBGL-UHFFFAOYSA-N 1 0 224.348 0.999 20 30 BCEDRO C[C@H](C(=O)N[C@H](C#N)CO)[NH+]1CCCCCC1 ZINC000597746047 398017299 /nfs/dbraw/zinc/01/72/99/398017299.db2.gz HOCYYZLWJLASCN-GHMZBOCLSA-N 1 0 239.319 0.252 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000490674984 398026972 /nfs/dbraw/zinc/02/69/72/398026972.db2.gz DFSYQYWZYXKWDW-CYBMUJFWSA-N 1 0 247.342 0.749 20 30 BCEDRO C#CCN(C)C(=O)NCC[C@@H]1CCC[N@H+](C)C1 ZINC000491616020 398048255 /nfs/dbraw/zinc/04/82/55/398048255.db2.gz HTWGAYLTOZEOMQ-LBPRGKRZSA-N 1 0 237.347 0.993 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)CC(C)(C)C#N ZINC000598159576 398027685 /nfs/dbraw/zinc/02/76/85/398027685.db2.gz JPDWZORWVNUAHI-UHFFFAOYSA-N 1 0 223.320 0.946 20 30 BCEDRO C=CCCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649685343 398035524 /nfs/dbraw/zinc/03/55/24/398035524.db2.gz XWAWCOCINVBVJK-UHFFFAOYSA-N 1 0 225.336 0.268 20 30 BCEDRO Cc1cc(C#N)nc(NCCn2ccnc2)n1 ZINC000231898225 397974258 /nfs/dbraw/zinc/97/42/58/397974258.db2.gz CSOIIQMTVFJBSQ-UHFFFAOYSA-N 1 0 228.259 0.965 20 30 BCEDRO COC(=O)COC[C@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418138496 397988699 /nfs/dbraw/zinc/98/86/99/397988699.db2.gz GGEGIHUJYAIGBY-JTQLQIEISA-N 1 0 240.303 0.848 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)[C@H](O)C(C)C ZINC000491674917 398059634 /nfs/dbraw/zinc/05/96/34/398059634.db2.gz LFDJFLYLZHYAMM-WCQYABFASA-N 1 0 240.347 0.511 20 30 BCEDRO C#CC[N@@H+]1C[C@@H](c2ccccc2)[C@H](C(N)=O)C1 ZINC000491766385 398065926 /nfs/dbraw/zinc/06/59/26/398065926.db2.gz GRDSKKDDZHAKIM-QWHCGFSZSA-N 1 0 228.295 0.821 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000491767863 398067186 /nfs/dbraw/zinc/06/71/86/398067186.db2.gz HMYFUJIQRLMRNG-PSASIEDQSA-N 1 0 209.293 0.387 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[NH2+]CC1)C(C)C ZINC000491769012 398067773 /nfs/dbraw/zinc/06/77/73/398067773.db2.gz MCTYTMCRJQXKSD-JTQLQIEISA-N 1 0 209.293 0.259 20 30 BCEDRO [NH2+]=C(NCCCO)N[C@@H]1CCOc2ccccc21 ZINC000083029569 398068206 /nfs/dbraw/zinc/06/82/06/398068206.db2.gz HFVFYTCGMOBNHQ-LLVKDONJSA-N 1 0 249.314 0.797 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCn1ccc([N+](=O)[O-])n1 ZINC000491793663 398071013 /nfs/dbraw/zinc/07/10/13/398071013.db2.gz MEUIIZYTEVKRJU-SECBINFHSA-N 1 0 222.248 0.745 20 30 BCEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)[C@@H]1CCOC1 ZINC000610812652 398071777 /nfs/dbraw/zinc/07/17/77/398071777.db2.gz GIGSGVVTXGAATQ-VXGBXAGGSA-N 1 0 237.347 0.989 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000491796262 398073238 /nfs/dbraw/zinc/07/32/38/398073238.db2.gz YXJWKYPEKQRKPG-GARJFASQSA-N 1 0 239.319 0.156 20 30 BCEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000602480253 398074483 /nfs/dbraw/zinc/07/44/83/398074483.db2.gz BLDSDAVIQKERGZ-VHSXEESVSA-N 1 0 221.304 0.876 20 30 BCEDRO C[C@H]1C[C@@H](C[NH3+])CN1C(=O)C1(C#N)CCC1 ZINC000602480061 398074777 /nfs/dbraw/zinc/07/47/77/398074777.db2.gz FELKMNIRMZFOFO-UWVGGRQHSA-N 1 0 221.304 0.876 20 30 BCEDRO Cc1cc(C[NH2+]CCOCCO)ccc1C#N ZINC000443979925 398085199 /nfs/dbraw/zinc/08/51/99/398085199.db2.gz PZDLKVFRDPXFLV-UHFFFAOYSA-N 1 0 234.299 0.965 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](O)CC)CC1 ZINC000491642113 398053638 /nfs/dbraw/zinc/05/36/38/398053638.db2.gz VPCUKYPQJIKANL-LBPRGKRZSA-N 1 0 238.331 0.219 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)[C@H](CC)[NH+](C)C ZINC000491667587 398057451 /nfs/dbraw/zinc/05/74/51/398057451.db2.gz LLAPNRCLLLHISV-QWRGUYRKSA-N 1 0 224.304 0.187 20 30 BCEDRO COC(=O)[C@@H]1[C@H](O)CCCN1CCCCC#N ZINC000189578881 398058086 /nfs/dbraw/zinc/05/80/86/398058086.db2.gz SIKXFOIQXUPGAW-MNOVXSKESA-N 1 0 240.303 0.679 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCCCC[NH3+] ZINC000491671176 398058708 /nfs/dbraw/zinc/05/87/08/398058708.db2.gz WSFKCUKLLYUQEX-UHFFFAOYSA-N 1 0 221.304 0.393 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC[C@H](OC)C1 ZINC000491671052 398058774 /nfs/dbraw/zinc/05/87/74/398058774.db2.gz PVRFEPDQVFKDOL-MNOVXSKESA-N 1 0 224.304 0.283 20 30 BCEDRO COCC#CC[NH+]1CCC([C@H](C)CO)CC1 ZINC000649799831 398108966 /nfs/dbraw/zinc/10/89/66/398108966.db2.gz FKZVBBNRJHCCOJ-GFCCVEGCSA-N 1 0 225.332 0.977 20 30 BCEDRO Cn1ncc(C(=O)NCC[NH+]2CCCC2)c1C#N ZINC000353822324 398103930 /nfs/dbraw/zinc/10/39/30/398103930.db2.gz DKUUIYXNDDOVFW-UHFFFAOYSA-N 1 0 247.302 0.117 20 30 BCEDRO C=CCOCC[NH2+][C@H](C1CC1)[C@@H]1CNCCO1 ZINC000643479670 398106816 /nfs/dbraw/zinc/10/68/16/398106816.db2.gz YZEVEVBADXNOFK-QWHCGFSZSA-N 1 0 240.347 0.546 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C1CC1)[C@H]1CNCCO1 ZINC000643479669 398106877 /nfs/dbraw/zinc/10/68/77/398106877.db2.gz YZEVEVBADXNOFK-OLZOCXBDSA-N 1 0 240.347 0.546 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCCOCC1 ZINC000061918466 398109543 /nfs/dbraw/zinc/10/95/43/398109543.db2.gz AKIYPFYEGXSOSU-UHFFFAOYSA-N 1 0 239.319 0.471 20 30 BCEDRO CC[C@H](C)C[NH2+]CCn1cnc(C#N)n1 ZINC000308956724 171284945 /nfs/dbraw/zinc/28/49/45/171284945.db2.gz QTVGGRIADRMSPU-VIFPVBQESA-N 1 0 207.281 0.785 20 30 BCEDRO N#Cc1ccc(CN2C[C@H](O)C3(CC3)C2)nc1 ZINC000572012384 398129199 /nfs/dbraw/zinc/12/91/99/398129199.db2.gz YBBZKYRYQHDBTK-LBPRGKRZSA-N 1 0 229.283 0.910 20 30 BCEDRO C#CCCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000265002353 166143955 /nfs/dbraw/zinc/14/39/55/166143955.db2.gz JHKZRFUPVYBVMB-JTQLQIEISA-N 1 0 211.309 0.649 20 30 BCEDRO C#CCC(C)(C)C(=O)N1CC([NH+](C)C)C1 ZINC000274586617 166116226 /nfs/dbraw/zinc/11/62/26/166116226.db2.gz ZQVJWRMGCUVMEW-UHFFFAOYSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CCCC[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000271064487 166127945 /nfs/dbraw/zinc/12/79/45/166127945.db2.gz UBZHOEDEZPFMCD-JTQLQIEISA-N 1 0 212.293 0.222 20 30 BCEDRO C#CCCC[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000271068231 166128040 /nfs/dbraw/zinc/12/80/40/166128040.db2.gz UVDBFCLCAOWEEJ-UHFFFAOYSA-N 1 0 249.314 0.416 20 30 BCEDRO C#CCCC[N@H+]1CCN(C)C(=O)C1(C)C ZINC000161138464 166129888 /nfs/dbraw/zinc/12/98/88/166129888.db2.gz RCCJYQLZXAHGRF-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCCC[N@H+]1CCCN(CC)C(=O)C1 ZINC000276129857 166130986 /nfs/dbraw/zinc/13/09/86/166130986.db2.gz CNXVVAFCLRDIAT-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000278995586 166131038 /nfs/dbraw/zinc/13/10/38/166131038.db2.gz BXLVIMFMCXSSND-GFCCVEGCSA-N 1 0 235.287 0.074 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@H](F)[C@H]([NH3+])C2)C1=O ZINC000662325459 409639508 /nfs/dbraw/zinc/63/95/08/409639508.db2.gz GMYLNIJTNCRUMF-MXWKQRLJSA-N 1 0 241.310 0.144 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2ncnn2CC)CC1 ZINC000278959916 166137641 /nfs/dbraw/zinc/13/76/41/166137641.db2.gz ZYKKHEXBNNGDSR-UHFFFAOYSA-N 1 0 247.346 0.439 20 30 BCEDRO C#CCC[NH+]1CCC(CC(=O)NC)CC1 ZINC000270660114 166136391 /nfs/dbraw/zinc/13/63/91/166136391.db2.gz VNNPYECEYWSCRF-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[NH2+]C[C@@H]1O ZINC000653138859 409861153 /nfs/dbraw/zinc/86/11/53/409861153.db2.gz MEZNJQOOYCGHHB-DCAQKATOSA-N 1 0 226.320 0.285 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000309069208 410216606 /nfs/dbraw/zinc/21/66/06/410216606.db2.gz BDEVIWZBZQHYKR-GXSJLCMTSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CC[N@H+](C[C@H]1COCCO1)[C@@H](C)COC ZINC000661238964 410396531 /nfs/dbraw/zinc/39/65/31/410396531.db2.gz AWPPGCIRJQRKME-RYUDHWBXSA-N 1 0 229.320 0.925 20 30 BCEDRO C=CC[N@H+](C[C@@H]1CNC(=O)C1)[C@@H](C)COC ZINC000661239304 410396748 /nfs/dbraw/zinc/39/67/48/410396748.db2.gz FCVDPPKQGQIMIB-QWRGUYRKSA-N 1 0 226.320 0.645 20 30 BCEDRO C#CCN(CC)CC(O)C[N@H+](CC)CC#C ZINC000278127745 166167857 /nfs/dbraw/zinc/16/78/57/166167857.db2.gz VWAVLKZRCWFPNS-UHFFFAOYSA-N 1 0 222.332 0.258 20 30 BCEDRO C#CCNC(=O)NCC1(C)CC[NH+](C)CC1 ZINC000272382467 166177949 /nfs/dbraw/zinc/17/79/49/166177949.db2.gz JIWLSVPUIGAJBV-UHFFFAOYSA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCNC(=O)NC1CC[NH+](CC=C)CC1 ZINC000171690508 166178085 /nfs/dbraw/zinc/17/80/85/166178085.db2.gz ZYDYEGYVVNGMEZ-UHFFFAOYSA-N 1 0 221.304 0.569 20 30 BCEDRO C#CC[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000272990781 166191151 /nfs/dbraw/zinc/19/11/51/166191151.db2.gz KWBSBQPGHUHOFJ-NSHDSACASA-N 1 0 220.247 0.445 20 30 BCEDRO C=CCCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000357394256 166234204 /nfs/dbraw/zinc/23/42/04/166234204.db2.gz ZUUFCHDUWRUKCZ-SECBINFHSA-N 1 0 218.322 0.315 20 30 BCEDRO C=CCC[N@@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000276395114 166257719 /nfs/dbraw/zinc/25/77/19/166257719.db2.gz JTHOGNFMJCMSCC-UHFFFAOYSA-N 1 0 239.319 0.825 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)NCCOCC ZINC000276472716 166257848 /nfs/dbraw/zinc/25/78/48/166257848.db2.gz RVENDLFVIGLZAV-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)CN(C)C)CC1 ZINC000157163977 166265319 /nfs/dbraw/zinc/26/53/19/166265319.db2.gz KLKAPPRSBNMEBC-UHFFFAOYSA-N 1 0 225.336 0.268 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@H](C)C[NH3+] ZINC000274441544 166272461 /nfs/dbraw/zinc/27/24/61/166272461.db2.gz QEAIJFDUEZZMEV-BDAKNGLRSA-N 1 0 200.282 0.431 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178789710 166272618 /nfs/dbraw/zinc/27/26/18/166272618.db2.gz QNPGXEUWUWMYSK-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[NH2+]CC1 ZINC000159449295 166272857 /nfs/dbraw/zinc/27/28/57/166272857.db2.gz DMPWTMJSYXLNAO-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC1CC[NH2+]CC1 ZINC000262519609 166273535 /nfs/dbraw/zinc/27/35/35/166273535.db2.gz WUOMEFLARFHWPZ-JTQLQIEISA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160386012 166274413 /nfs/dbraw/zinc/27/44/13/166274413.db2.gz BWACJNXIBYBARO-GHMZBOCLSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)[C@H](C)C[NH3+] ZINC000179204443 166275042 /nfs/dbraw/zinc/27/50/42/166275042.db2.gz VDRVXRNFXDWZEI-NXEZZACHSA-N 1 0 214.309 0.773 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000137401301 166275510 /nfs/dbraw/zinc/27/55/10/166275510.db2.gz VWUMOLSAWPOFEG-KOLCDFICSA-N 1 0 226.320 0.821 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)OC ZINC000268574019 166297399 /nfs/dbraw/zinc/29/73/99/166297399.db2.gz RVDYBVFJBBLASR-MNOVXSKESA-N 1 0 227.304 0.951 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000268597150 166298312 /nfs/dbraw/zinc/29/83/12/166298312.db2.gz WTXKCZMWXQUFKX-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCN(C)C(=O)[C@H]([NH3+])C1CCOCC1 ZINC000261582805 166321077 /nfs/dbraw/zinc/32/10/77/166321077.db2.gz OSGNPWHFHMNYFY-SNVBAGLBSA-N 1 0 212.293 0.385 20 30 BCEDRO C=CCN(CC=C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000087508430 166327630 /nfs/dbraw/zinc/32/76/30/166327630.db2.gz YYQNSYMAMROSBW-NSHDSACASA-N 1 0 224.304 0.566 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H](O)C1 ZINC000042975613 166327851 /nfs/dbraw/zinc/32/78/51/166327851.db2.gz OLVWAEMULZUBOT-GFCCVEGCSA-N 1 0 238.331 0.644 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@](C)(O)C1 ZINC000177976217 166328131 /nfs/dbraw/zinc/32/81/31/166328131.db2.gz NKYVFFTWJMQZNN-CYBMUJFWSA-N 1 0 238.331 0.644 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H](CO)C(C)C ZINC000156255060 166328507 /nfs/dbraw/zinc/32/85/07/166328507.db2.gz HCNVJBJZRVQJRL-GFCCVEGCSA-N 1 0 240.347 0.794 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](OC)C1 ZINC000267668746 166328631 /nfs/dbraw/zinc/32/86/31/166328631.db2.gz OESLGHJXUWYYKK-LBPRGKRZSA-N 1 0 238.331 0.908 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)NCCOC)CC1 ZINC000264366532 166351910 /nfs/dbraw/zinc/35/19/10/166351910.db2.gz FVDAFQZEWOOEAT-UHFFFAOYSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)N[C@H](C)CO)CC1 ZINC000264346358 166352670 /nfs/dbraw/zinc/35/26/70/166352670.db2.gz KFRJLVXWTBESEH-SNVBAGLBSA-N 1 0 241.335 0.317 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@H]1CCC[C@@H]1O ZINC000352659909 166365675 /nfs/dbraw/zinc/36/56/75/166365675.db2.gz LOHGRQISMHDMRO-UWVGGRQHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2ccnn2C)CC1 ZINC000264479501 166353939 /nfs/dbraw/zinc/35/39/39/166353939.db2.gz LECOOYDAONQYLT-UHFFFAOYSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)CCOC)CC1 ZINC000171715258 166354026 /nfs/dbraw/zinc/35/40/26/166354026.db2.gz GUTAKRJYJXZUEC-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(C)(O)CC1 ZINC000087781420 166365189 /nfs/dbraw/zinc/36/51/89/166365189.db2.gz BCTRNRKNDVMBSI-UHFFFAOYSA-N 1 0 212.293 0.135 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@]1(CC)CO ZINC000189615526 166366040 /nfs/dbraw/zinc/36/60/40/166366040.db2.gz MDPZYRIOPWEOIK-LBPRGKRZSA-N 1 0 226.320 0.526 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CCO)C(C)C ZINC000273955427 166369628 /nfs/dbraw/zinc/36/96/28/166369628.db2.gz FVARNOJYLOCVGI-SNVBAGLBSA-N 1 0 214.309 0.285 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCOC[C@@H]1OCC ZINC000362023824 166371106 /nfs/dbraw/zinc/37/11/06/166371106.db2.gz ITLJYZXGLLKMNY-QWRGUYRKSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@H]1CC ZINC000292474289 166376985 /nfs/dbraw/zinc/37/69/85/166376985.db2.gz RPOJYXMFASYHTR-NXEZZACHSA-N 1 0 239.319 0.871 20 30 BCEDRO C=CCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000264482009 166380569 /nfs/dbraw/zinc/38/05/69/166380569.db2.gz NROBECUWLTZWNL-JTQLQIEISA-N 1 0 227.308 0.192 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)[NH3+])CC1 ZINC000104140801 166381940 /nfs/dbraw/zinc/38/19/40/166381940.db2.gz MHAXIDACOYIMPB-GHMZBOCLSA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCCC(=O)NC ZINC000154763839 166382186 /nfs/dbraw/zinc/38/21/86/166382186.db2.gz NAYGZJSHUZKDEC-SNVBAGLBSA-N 1 0 241.335 0.135 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](CC)CC(C)(C)O ZINC000086274780 166382403 /nfs/dbraw/zinc/38/24/03/166382403.db2.gz ZHXZHLYXVKUKQU-SNVBAGLBSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC([NH3+])CC1 ZINC000036754050 166387112 /nfs/dbraw/zinc/38/71/12/166387112.db2.gz OEPFUSAOSXRKGO-VIFPVBQESA-N 1 0 211.309 0.100 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000279700475 166388743 /nfs/dbraw/zinc/38/87/43/166388743.db2.gz GYPFWJZULRKTNY-VHSXEESVSA-N 1 0 226.320 0.380 20 30 BCEDRO N#Cc1cc(NCC23CCC[NH+]2CCC3)ncn1 ZINC000588036910 410650883 /nfs/dbraw/zinc/65/08/83/410650883.db2.gz YDLNUIGSIIIRFY-UHFFFAOYSA-N 1 0 243.314 1.389 20 30 BCEDRO C[C@H]([NH3+])CNc1cc(C#N)nc(C2CC2)n1 ZINC000601980756 410743166 /nfs/dbraw/zinc/74/31/66/410743166.db2.gz OJQQIVMMFXIOGF-ZETCQYMHSA-N 1 0 217.276 0.985 20 30 BCEDRO CCNC(=O)[C@@H]([NH2+]CC#CCOC)C(C)C ZINC000393420291 410684110 /nfs/dbraw/zinc/68/41/10/410684110.db2.gz CSRXZUKRGOMJQJ-NSHDSACASA-N 1 0 226.320 0.387 20 30 BCEDRO C=CCCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000661564778 410846235 /nfs/dbraw/zinc/84/62/35/410846235.db2.gz FEBKLPJGXODVCJ-UHFFFAOYSA-N 1 0 211.309 0.766 20 30 BCEDRO N#Cc1cnnc(N[C@@H]2CC[N@H+](CC3CC3)C2)c1 ZINC000596118715 410894903 /nfs/dbraw/zinc/89/49/03/410894903.db2.gz BKIVBAMQVRLCKP-GFCCVEGCSA-N 1 0 243.314 1.244 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661620554 411069161 /nfs/dbraw/zinc/06/91/61/411069161.db2.gz BDJMCWJGMOPAEH-MXWKQRLJSA-N 1 0 213.321 0.872 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000653636193 411153754 /nfs/dbraw/zinc/15/37/54/411153754.db2.gz VITZJEGJOOHXLN-GFCCVEGCSA-N 1 0 230.352 0.433 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000653660069 411158435 /nfs/dbraw/zinc/15/84/35/411158435.db2.gz FYEKXPYWFCLUTD-NSHDSACASA-N 1 0 212.337 0.949 20 30 BCEDRO C[NH+](C)C1CN(c2cnc(C#N)cn2)C1 ZINC000128642709 411159522 /nfs/dbraw/zinc/15/95/22/411159522.db2.gz PQRLENXFQUPRMZ-UHFFFAOYSA-N 1 0 203.249 0.098 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cc1[nH]cnc1C ZINC000294080326 411192580 /nfs/dbraw/zinc/19/25/80/411192580.db2.gz WQMHBKUAPBREES-UHFFFAOYSA-N 1 0 248.330 0.332 20 30 BCEDRO C=CCOCCCNC(=O)NC(C)(C)C[NH3+] ZINC000659597741 411200426 /nfs/dbraw/zinc/20/04/26/411200426.db2.gz RLMQCFFQXWBDTR-UHFFFAOYSA-N 1 0 229.324 0.616 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000192228314 411208935 /nfs/dbraw/zinc/20/89/35/411208935.db2.gz UTUDTOHYXKPWIM-NSHDSACASA-N 1 0 244.360 0.223 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@@H]([NH3+])[C@H]1C ZINC000656362651 411233558 /nfs/dbraw/zinc/23/35/58/411233558.db2.gz LUHINMXEFBIPQS-GHMZBOCLSA-N 1 0 226.320 0.917 20 30 BCEDRO C[NH+](C)C1(CNC(=O)c2ccnc(C#N)c2)CC1 ZINC000416309745 411275188 /nfs/dbraw/zinc/27/51/88/411275188.db2.gz XELZGPPFUBXMJN-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C=C(CC)Cn1cc(C[C@@H]([NH3+])CO)nn1 ZINC000656453803 411276345 /nfs/dbraw/zinc/27/63/45/411276345.db2.gz XEZSSLHAYMKWFG-SECBINFHSA-N 1 0 210.281 0.106 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000656581496 411303976 /nfs/dbraw/zinc/30/39/76/411303976.db2.gz YFWSOMISKXYIBN-SRVKXCTJSA-N 1 0 236.315 0.378 20 30 BCEDRO C[C@H](CNc1nccnc1C#N)C[NH+](C)C ZINC000291776186 411314492 /nfs/dbraw/zinc/31/44/92/411314492.db2.gz HTYMLFCOGSJJLV-SECBINFHSA-N 1 0 219.292 0.958 20 30 BCEDRO C=CCn1cc(C(=O)N2CCC[N@@H+](C)CC2)nn1 ZINC000648714116 411317329 /nfs/dbraw/zinc/31/73/29/411317329.db2.gz URGVQTPKLGQCPE-UHFFFAOYSA-N 1 0 249.318 0.242 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000653445022 411257223 /nfs/dbraw/zinc/25/72/23/411257223.db2.gz FZCPGVLUIRSQTK-GHMZBOCLSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000304276118 411358441 /nfs/dbraw/zinc/35/84/41/411358441.db2.gz WKZJZAVQWVKJFY-NWDGAFQWSA-N 1 0 228.336 0.546 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NCCCOCC ZINC000662166172 411370337 /nfs/dbraw/zinc/37/03/37/411370337.db2.gz UKKJPCZIOJKPDL-WDEREUQCSA-N 1 0 244.335 0.054 20 30 BCEDRO C=CCOCCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000656708667 411335890 /nfs/dbraw/zinc/33/58/90/411335890.db2.gz JAZSIVRBEIXHTL-JTQLQIEISA-N 1 0 235.349 0.602 20 30 BCEDRO C=CCOCCC[NH2+]C[C@]1(O)CCCOC1 ZINC000656709511 411336016 /nfs/dbraw/zinc/33/60/16/411336016.db2.gz PJOLLAPAUIBBAD-GFCCVEGCSA-N 1 0 229.320 0.710 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](COC)CC1CCOCC1 ZINC000658334430 411341916 /nfs/dbraw/zinc/34/19/16/411341916.db2.gz ISLCOXYRWVEUNE-CHWSQXEVSA-N 1 0 243.347 0.955 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cncnc1C ZINC000658334917 411343244 /nfs/dbraw/zinc/34/32/44/411343244.db2.gz XTIVXJKWXFJTRZ-NXEZZACHSA-N 1 0 207.277 0.983 20 30 BCEDRO CC1(C)[C@H](NC(=[NH2+])NCC2CCC2)C[C@@H]1O ZINC000186874228 168001776 /nfs/dbraw/zinc/00/17/76/168001776.db2.gz KFYSCBVDRQYSHV-ZJUUUORDSA-N 1 0 225.336 0.850 20 30 BCEDRO CC1(C[NH2+]CCn2cnc(C#N)n2)CCC1 ZINC000309786280 168042845 /nfs/dbraw/zinc/04/28/45/168042845.db2.gz OCZSQQYTTSRKDO-UHFFFAOYSA-N 1 0 219.292 0.930 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000659358214 411374341 /nfs/dbraw/zinc/37/43/41/411374341.db2.gz GBZMHSBXRIWCKP-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCOCCCNC(=O)C[NH2+]C(C)C ZINC000659359022 411375306 /nfs/dbraw/zinc/37/53/06/411375306.db2.gz NRMBSUXAVXTXND-UHFFFAOYSA-N 1 0 214.309 0.693 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H](C)[C@H]1CC[NH3+] ZINC000404313312 411390695 /nfs/dbraw/zinc/39/06/95/411390695.db2.gz XZQGAAHGXCXFFE-VXGBXAGGSA-N 1 0 239.363 0.738 20 30 BCEDRO C=C[C@@H](C)NC(=O)[C@@H]([NH3+])COC(C)C ZINC000659261187 411383148 /nfs/dbraw/zinc/38/31/48/411383148.db2.gz XYSVFXSCKCNCOC-BDAKNGLRSA-N 1 0 200.282 0.429 20 30 BCEDRO CCC(C#N)(CC)C(=O)N1CC[NH2+]CC1 ZINC000044765649 168260357 /nfs/dbraw/zinc/26/03/57/168260357.db2.gz SAPHNZUSCYSAGY-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000656864872 411386374 /nfs/dbraw/zinc/38/63/74/411386374.db2.gz VZEDDBYPQXFMEM-NEPJUHHUSA-N 1 0 211.305 0.608 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000657294437 411455484 /nfs/dbraw/zinc/45/54/84/411455484.db2.gz CGSZFPHVVIQMIV-NEPJUHHUSA-N 1 0 209.289 0.747 20 30 BCEDRO C=CCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000659337227 411397237 /nfs/dbraw/zinc/39/72/37/411397237.db2.gz GLKZWAYMTFACPP-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCCNC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000659337687 411397276 /nfs/dbraw/zinc/39/72/76/411397276.db2.gz KJSKORGTYLICAN-MRVPVSSYSA-N 1 0 218.247 0.924 20 30 BCEDRO C=CCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000659337226 411397938 /nfs/dbraw/zinc/39/79/38/411397938.db2.gz GLKZWAYMTFACPP-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCN(C(=O)[C@H](C)[NH3+])[C@H](C)COC ZINC000659339189 411398296 /nfs/dbraw/zinc/39/82/96/411398296.db2.gz FFQPOIDTSOIICH-BDAKNGLRSA-N 1 0 200.282 0.383 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000659359604 411401446 /nfs/dbraw/zinc/40/14/46/411401446.db2.gz VLFKMMYPEHMTHA-VHSXEESVSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCOCCCNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000659359605 411402063 /nfs/dbraw/zinc/40/20/63/411402063.db2.gz VLFKMMYPEHMTHA-ZJUUUORDSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1C[C@@]12CCC[NH2+]C2 ZINC000659384398 411408811 /nfs/dbraw/zinc/40/88/11/411408811.db2.gz XPTDXQBNPXLVON-WCQYABFASA-N 1 0 238.331 0.695 20 30 BCEDRO C=CCN(C(=O)NCCC[NH2+]C)[C@H](C)COC ZINC000659506098 411462941 /nfs/dbraw/zinc/46/29/41/411462941.db2.gz XFEUCSHLKHZSIU-LLVKDONJSA-N 1 0 243.351 0.828 20 30 BCEDRO C=CCCNC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000659535733 411430870 /nfs/dbraw/zinc/43/08/70/411430870.db2.gz FJSDUTJVJMZPJQ-UWVGGRQHSA-N 1 0 211.309 0.860 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000659552539 411434600 /nfs/dbraw/zinc/43/46/00/411434600.db2.gz HOKMFDAEMCUUOV-JTQLQIEISA-N 1 0 229.324 0.616 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)C[NH2+]C ZINC000659555587 411435407 /nfs/dbraw/zinc/43/54/07/411435407.db2.gz MVIVSDLADCBVPZ-VWYCJHECSA-N 1 0 241.335 0.485 20 30 BCEDRO C=CCCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000659561238 411436304 /nfs/dbraw/zinc/43/63/04/411436304.db2.gz HLUOCCXXQODRES-ZJUUUORDSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCCNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000659563212 411437064 /nfs/dbraw/zinc/43/70/64/411437064.db2.gz RYBQMAWSPKKOSK-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCOCCCNC(=O)N(C)CCC[NH3+] ZINC000659597373 411440577 /nfs/dbraw/zinc/44/05/77/411440577.db2.gz PDFJWSMXPOWOQP-UHFFFAOYSA-N 1 0 229.324 0.569 20 30 BCEDRO C=CCOCCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659597205 411440676 /nfs/dbraw/zinc/44/06/76/411440676.db2.gz OKKHXBVGIMWDBX-JTQLQIEISA-N 1 0 229.324 0.486 20 30 BCEDRO C=CCN(C(=O)N[C@H](C)C[NH2+]C)C1CC1 ZINC000659634529 411444708 /nfs/dbraw/zinc/44/47/08/411444708.db2.gz BGDARBQYCQAIOD-SECBINFHSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCN(C(=O)N[C@@H](C)C[NH2+]C)[C@@H](C)COC ZINC000659635949 411445306 /nfs/dbraw/zinc/44/53/06/411445306.db2.gz MIYQARGREAGFGS-QWRGUYRKSA-N 1 0 243.351 0.827 20 30 BCEDRO C=CCN(C)C(=O)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659740730 411449982 /nfs/dbraw/zinc/44/99/82/411449982.db2.gz GCZYJOWKQKGCLD-SNVBAGLBSA-N 1 0 241.335 0.120 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@@H](C)CCO)nn1 ZINC000657368707 411480584 /nfs/dbraw/zinc/48/05/84/411480584.db2.gz RPFPSRJQTXKRGL-JTQLQIEISA-N 1 0 224.308 0.715 20 30 BCEDRO C=CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000659536561 411502502 /nfs/dbraw/zinc/50/25/02/411502502.db2.gz NWORDJJDGNTOMS-ZJUUUORDSA-N 1 0 211.309 0.860 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cnn2c1CCC2 ZINC000657429458 411507533 /nfs/dbraw/zinc/50/75/33/411507533.db2.gz PYZFLHSXMUHIBQ-UHFFFAOYSA-N 1 0 234.303 0.221 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)nn1 ZINC000657501165 411538416 /nfs/dbraw/zinc/53/84/16/411538416.db2.gz RIPAEOUVJFXEIF-AOOOYVTPSA-N 1 0 249.318 0.208 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000660205751 411553372 /nfs/dbraw/zinc/55/33/72/411553372.db2.gz GPCKLWGGNHZWEJ-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO Cc1cc(NC(=O)[C@H]([NH3+])CCCCC#N)n[nH]1 ZINC000594463954 411629955 /nfs/dbraw/zinc/62/99/55/411629955.db2.gz MIAQEDRPTZQSHZ-SECBINFHSA-N 1 0 235.291 1.068 20 30 BCEDRO CC[N@@H+]1CCC[C@H](CNc2cc(C#N)ncn2)C1 ZINC000572196314 411630183 /nfs/dbraw/zinc/63/01/83/411630183.db2.gz QBMDXQJDFPRSOV-LLVKDONJSA-N 1 0 245.330 1.492 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000660722034 411618788 /nfs/dbraw/zinc/61/87/88/411618788.db2.gz DXVPYDPXLIDMOI-NDBYEHHHSA-N 1 0 241.331 0.971 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H]1CNC(=O)C1 ZINC000660740365 411620353 /nfs/dbraw/zinc/62/03/53/411620353.db2.gz PRCPTNORJLXDKX-AXFHLTTASA-N 1 0 224.304 0.446 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661139481 411717082 /nfs/dbraw/zinc/71/70/82/411717082.db2.gz IWWABEKTABRGDA-NSHDSACASA-N 1 0 204.277 0.623 20 30 BCEDRO C=C(C)CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000661047264 411692661 /nfs/dbraw/zinc/69/26/61/411692661.db2.gz KEGJMZBSAGPVLE-UHFFFAOYSA-N 1 0 211.309 0.766 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1C(=O)Nc1n[nH]cc1C#N ZINC000583629583 411742217 /nfs/dbraw/zinc/74/22/17/411742217.db2.gz OUTFQPDYLAQAKV-BDAKNGLRSA-N 1 0 233.275 0.608 20 30 BCEDRO Cc1nc(N[C@H](CO)C[NH+](C)C)ccc1C#N ZINC000596243015 411748983 /nfs/dbraw/zinc/74/89/83/411748983.db2.gz JAEOBZLZMLVYNK-NSHDSACASA-N 1 0 234.303 0.596 20 30 BCEDRO Cc1nc(NCCOCC[NH+](C)C)ccc1C#N ZINC000336785858 411749529 /nfs/dbraw/zinc/74/95/29/411749529.db2.gz AROXYKWSSHJBTM-UHFFFAOYSA-N 1 0 248.330 1.252 20 30 BCEDRO CCc1nc(C#N)cc(NCC[NH+]2CCC2)n1 ZINC000596175324 411782416 /nfs/dbraw/zinc/78/24/16/411782416.db2.gz RKEZCZYZXXXSTH-UHFFFAOYSA-N 1 0 231.303 1.028 20 30 BCEDRO CCc1nc(C#N)cc(NC[C@](C)([NH3+])COC)n1 ZINC000596128193 411784280 /nfs/dbraw/zinc/78/42/80/411784280.db2.gz JFLCSFHEVLLNPS-LBPRGKRZSA-N 1 0 249.318 0.686 20 30 BCEDRO C[C@@H](CCNc1cc(C#N)ncn1)[NH+](C)C ZINC000596430220 411814735 /nfs/dbraw/zinc/81/47/35/411814735.db2.gz KFQINCFEEYUNCT-VIFPVBQESA-N 1 0 219.292 1.100 20 30 BCEDRO C=CCOCC[N@@H+](C)C[C@@H]1COCCO1 ZINC000661612707 411816271 /nfs/dbraw/zinc/81/62/71/411816271.db2.gz BICJSCOBNZZVGV-LLVKDONJSA-N 1 0 215.293 0.536 20 30 BCEDRO C[C@@H](Nc1ccc(C#N)c(N)n1)[C@H](C)[NH3+] ZINC000596014057 411829007 /nfs/dbraw/zinc/82/90/07/411829007.db2.gz LQNXFVYJMIAJHN-NKWVEPMBSA-N 1 0 205.265 0.683 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661700952 411846020 /nfs/dbraw/zinc/84/60/20/411846020.db2.gz NXZNOVZSUVIJBW-WOPDTQHZSA-N 1 0 211.305 0.892 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](c2ccnc(N)n2)C1 ZINC000368456033 411848656 /nfs/dbraw/zinc/84/86/56/411848656.db2.gz WSGJRUABVKGXCF-JTQLQIEISA-N 1 0 216.288 0.871 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](c2nnc(N)o2)C1 ZINC000639822341 411851036 /nfs/dbraw/zinc/85/10/36/411851036.db2.gz SIEBGCULVKVYBR-MRVPVSSYSA-N 1 0 208.265 1.017 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661716946 411855933 /nfs/dbraw/zinc/85/59/33/411855933.db2.gz JSLMMXIBXFZXHU-SDDRHHMPSA-N 1 0 211.305 0.770 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1ccc(N)nc1 ZINC000594425538 411966514 /nfs/dbraw/zinc/96/65/14/411966514.db2.gz KTKFOMJNUWBVPO-JTQLQIEISA-N 1 0 247.302 1.014 20 30 BCEDRO N#Cc1nc(N)n(CCC2CC[NH2+]CC2)c1C#N ZINC000567808306 411974625 /nfs/dbraw/zinc/97/46/25/411974625.db2.gz MBXFQLSQHMWLBB-UHFFFAOYSA-N 1 0 244.302 0.598 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662135914 411998913 /nfs/dbraw/zinc/99/89/13/411998913.db2.gz NZJOSRMPJDARKB-GMXVVIOVSA-N 1 0 240.347 0.627 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000662138502 411999755 /nfs/dbraw/zinc/99/97/55/411999755.db2.gz WTXQJDZMJNDEEZ-CMPLNLGQSA-N 1 0 226.320 0.239 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCCNC1=O ZINC000664676922 412009603 /nfs/dbraw/zinc/00/96/03/412009603.db2.gz IQPCCXLVINBAEU-VWYCJHECSA-N 1 0 224.304 0.588 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCN1CCCC1=O ZINC000662165845 412014296 /nfs/dbraw/zinc/01/42/96/412014296.db2.gz RJIOHBRJYGUJLU-SNVBAGLBSA-N 1 0 212.293 0.135 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664727896 412014423 /nfs/dbraw/zinc/01/44/23/412014423.db2.gz SHHRWIFQNBVFEQ-NSHDSACASA-N 1 0 238.331 0.790 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N(CC)CC ZINC000662165331 412014774 /nfs/dbraw/zinc/01/47/74/412014774.db2.gz DTCHHTJSGZIVNC-NXEZZACHSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCn1c(C)csc1=O ZINC000662163624 412015031 /nfs/dbraw/zinc/01/50/31/412015031.db2.gz HFKIXRCUUGIHHC-SECBINFHSA-N 1 0 228.317 0.355 20 30 BCEDRO C=C[C@H](CO)NCc1nc(C2CC2)nn1C ZINC000662168355 412015875 /nfs/dbraw/zinc/01/58/75/412015875.db2.gz CJJOLMKPNILIHS-SECBINFHSA-N 1 0 222.292 0.329 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCN1C[C@H](C)O[C@@H](C)C1 ZINC000662168618 412018193 /nfs/dbraw/zinc/01/81/93/412018193.db2.gz NGGBPGTYUYMXOA-SDDRHHMPSA-N 1 0 228.336 0.232 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662031906 411948708 /nfs/dbraw/zinc/94/87/08/411948708.db2.gz GPOPERWUPGNTDX-NEPJUHHUSA-N 1 0 209.289 0.605 20 30 BCEDRO C=CC1CC[NH+](C[C@@H]2CNCCO2)CC1 ZINC000662255951 412052016 /nfs/dbraw/zinc/05/20/16/412052016.db2.gz STAIUWUFFVPNIC-LBPRGKRZSA-N 1 0 210.321 0.873 20 30 BCEDRO C=CCNc1ncc(C(=O)N(C)CC[NH3+])s1 ZINC000581250582 412130230 /nfs/dbraw/zinc/13/02/30/412130230.db2.gz QHWVJXNGKKJGNK-UHFFFAOYSA-N 1 0 240.332 0.772 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000665201692 412134884 /nfs/dbraw/zinc/13/48/84/412134884.db2.gz JAIJRLZERBLBGT-QWHCGFSZSA-N 1 0 248.326 0.952 20 30 BCEDRO COCC#CC[NH2+]C(C)(C)CN1CCOCC1 ZINC000665201786 412135013 /nfs/dbraw/zinc/13/50/13/412135013.db2.gz QXRYCSXCGHVICT-UHFFFAOYSA-N 1 0 240.347 0.337 20 30 BCEDRO C=CCC[NH2+][C@H](C1CC1)[C@H]1CNCCO1 ZINC000665237840 412179000 /nfs/dbraw/zinc/17/90/00/412179000.db2.gz KYADOZJJYWQKCT-VXGBXAGGSA-N 1 0 210.321 0.919 20 30 BCEDRO C=CC[C@]1(C(=O)NCC[C@@H](O)CC)CCC[NH2+]1 ZINC000662554953 412214912 /nfs/dbraw/zinc/21/49/12/412214912.db2.gz DPIGSWJBCNLQOO-WCQYABFASA-N 1 0 240.347 0.962 20 30 BCEDRO C=CC[C@]1(C(=O)NC2CCOCC2)CCC[NH2+]1 ZINC000662490725 412194043 /nfs/dbraw/zinc/19/40/43/412194043.db2.gz SNIWMKSNOYYAIL-CYBMUJFWSA-N 1 0 238.331 0.980 20 30 BCEDRO C[NH+](C)[C@H](CNc1cc(C#N)cnn1)C1CC1 ZINC000596114614 412195763 /nfs/dbraw/zinc/19/57/63/412195763.db2.gz LDXVHBANHJIEBY-LLVKDONJSA-N 1 0 231.303 1.100 20 30 BCEDRO CN(C)c1cc[nH+]cc1CNc1n[nH]cc1C#N ZINC000346655565 412198730 /nfs/dbraw/zinc/19/87/30/412198730.db2.gz FDEASSSVQZGERX-UHFFFAOYSA-N 1 0 242.286 1.354 20 30 BCEDRO C=CC[C@]1(C(=O)NCc2cc[nH]n2)CCC[NH2+]1 ZINC000662507511 412199566 /nfs/dbraw/zinc/19/95/66/412199566.db2.gz OUWNAZNWHWMGQI-GFCCVEGCSA-N 1 0 234.303 0.724 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H](CC)[NH2+]C)nn1 ZINC000662520522 412203161 /nfs/dbraw/zinc/20/31/61/412203161.db2.gz ALVVVAQFLDMHTR-SNVBAGLBSA-N 1 0 237.307 0.078 20 30 BCEDRO C=CCOCCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000665263792 412207814 /nfs/dbraw/zinc/20/78/14/412207814.db2.gz UVIFZIATKOCKOH-OLZOCXBDSA-N 1 0 242.363 0.936 20 30 BCEDRO C[C@H](CNc1ccc(C#N)c(N)n1)[NH+](C)C ZINC000594547643 412207832 /nfs/dbraw/zinc/20/78/32/412207832.db2.gz WJKZWDQSOSGITG-MRVPVSSYSA-N 1 0 219.292 0.897 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)Nc1ccn(CCC#N)n1 ZINC000491881066 412152102 /nfs/dbraw/zinc/15/21/02/412152102.db2.gz GALVEBGGPYOXCD-HYXAFXHYSA-N 1 0 247.302 0.853 20 30 BCEDRO C=CCNC(=O)c1cn([C@H]2CCC[NH2+]CC2)nn1 ZINC000662434579 412171138 /nfs/dbraw/zinc/17/11/38/412171138.db2.gz UUYQHUXLFOHTMW-JTQLQIEISA-N 1 0 249.318 0.509 20 30 BCEDRO N#Cc1cc(N[C@H]2CC[NH2+]C2)nc(C2CC2)n1 ZINC000601980087 412254363 /nfs/dbraw/zinc/25/43/63/412254363.db2.gz DJBNNFHUBRWKFK-VIFPVBQESA-N 1 0 229.287 0.999 20 30 BCEDRO C=CCCOCC(=O)NCC1([NH3+])CCCC1 ZINC000662653549 412258569 /nfs/dbraw/zinc/25/85/69/412258569.db2.gz WFPUMFAZWTXORM-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO C=CCOCCCNC(=O)C[C@H]1C[NH2+]CCO1 ZINC000662663250 412262099 /nfs/dbraw/zinc/26/20/99/412262099.db2.gz GKUWIELIUQIGGE-NSHDSACASA-N 1 0 242.319 0.074 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000662662678 412262147 /nfs/dbraw/zinc/26/21/47/412262147.db2.gz BWYSYPTYHJDDEO-DGCLKSJQSA-N 1 0 238.331 0.695 20 30 BCEDRO C=CCOCCCNC(=O)CC[C@H](C)[NH3+] ZINC000662663907 412262740 /nfs/dbraw/zinc/26/27/40/412262740.db2.gz MPCBLAVNSRFICQ-JTQLQIEISA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]([NH3+])CC ZINC000662664836 412263066 /nfs/dbraw/zinc/26/30/66/412263066.db2.gz VPEBSTTVNGEMDA-SECBINFHSA-N 1 0 200.282 0.433 20 30 BCEDRO N#Cc1ccnc(NCCC[C@H]2CCC[NH2+]2)n1 ZINC000420279690 412277943 /nfs/dbraw/zinc/27/79/43/412277943.db2.gz KNPAZTWIAGYNHD-SNVBAGLBSA-N 1 0 231.303 1.292 20 30 BCEDRO C=CCOCCNC(=O)[C@H](C)[NH2+]CCC ZINC000662713469 412279635 /nfs/dbraw/zinc/27/96/35/412279635.db2.gz WPEJOYDTZVUIPB-JTQLQIEISA-N 1 0 214.309 0.693 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](C)[NH2+]CCC ZINC000662713470 412279778 /nfs/dbraw/zinc/27/97/78/412279778.db2.gz WPEJOYDTZVUIPB-SNVBAGLBSA-N 1 0 214.309 0.693 20 30 BCEDRO C=CC[C@@]1(C(=O)NCc2ncc[nH]2)CCC[NH2+]1 ZINC000662731490 412286580 /nfs/dbraw/zinc/28/65/80/412286580.db2.gz DXHCXRUAKOGJFU-LBPRGKRZSA-N 1 0 234.303 0.724 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CCNc2cnccn2)C1 ZINC000442781457 412245937 /nfs/dbraw/zinc/24/59/37/412245937.db2.gz IWUWSZPIXUUKBN-MNOVXSKESA-N 1 0 231.303 1.170 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CCNc2cnccn2)C1 ZINC000442781460 412247609 /nfs/dbraw/zinc/24/76/09/412247609.db2.gz IWUWSZPIXUUKBN-WDEREUQCSA-N 1 0 231.303 1.170 20 30 BCEDRO C[N@@H+]1CCCC[C@H](CNc2cc(C#N)ncn2)C1 ZINC000599139456 412251148 /nfs/dbraw/zinc/25/11/48/412251148.db2.gz OFQVEYQYHOHGEK-LLVKDONJSA-N 1 0 245.330 1.492 20 30 BCEDRO C=CC[C@@H]1CCCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000662635105 412251251 /nfs/dbraw/zinc/25/12/51/412251251.db2.gz JMDVXSDRWXWJMD-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C[N@@H+]1CCC[C@@H](CNc2ccc(C#N)c(N)n2)C1 ZINC000573740879 412251412 /nfs/dbraw/zinc/25/14/12/412251412.db2.gz CZYASAPKAVLLKK-JTQLQIEISA-N 1 0 245.330 1.289 20 30 BCEDRO C[N@@H+]1CCC[C@@H](CCNc2ccc(C#N)nn2)C1 ZINC000591179090 412251599 /nfs/dbraw/zinc/25/15/99/412251599.db2.gz CUMPHYJJGDMPMM-NSHDSACASA-N 1 0 245.330 1.492 20 30 BCEDRO C=C1CCN(C(=O)[C@@H]([NH3+])COC(C)C)CC1 ZINC000662828785 412313630 /nfs/dbraw/zinc/31/36/30/412313630.db2.gz ZLEQXOCPZIXTHC-NSHDSACASA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCN(C(=O)[C@H]1CCC[NH2+]1)[C@H](C)COC ZINC000662856036 412325310 /nfs/dbraw/zinc/32/53/10/412325310.db2.gz YFGSFUGBQPDVDK-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCN(C(=O)C[C@H](C[NH3+])OC)[C@H](C)COC ZINC000662855879 412325370 /nfs/dbraw/zinc/32/53/70/412325370.db2.gz WKTFFIIZXIKLNH-GHMZBOCLSA-N 1 0 244.335 0.400 20 30 BCEDRO C=CCN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H](C)COC ZINC000662856144 412326058 /nfs/dbraw/zinc/32/60/58/412326058.db2.gz ZVLFCKJRRQNLRP-QWRGUYRKSA-N 1 0 242.319 0.024 20 30 BCEDRO C=CC[C@]1(C(=O)NC/C=C\CO)CCC[NH2+]1 ZINC000662858825 412327012 /nfs/dbraw/zinc/32/70/12/412327012.db2.gz IJSRKUXAOMZGTG-VSQXVHSFSA-N 1 0 224.304 0.349 20 30 BCEDRO C=CCC1(NC(=O)[C@@H](C)[NH3+])CCOCC1 ZINC000662873157 412331195 /nfs/dbraw/zinc/33/11/95/412331195.db2.gz GFKFMACCQFHKOK-SECBINFHSA-N 1 0 212.293 0.575 20 30 BCEDRO Cc1cc(NC(=O)CC[NH2+]C[C@H](C)C#N)no1 ZINC000565535461 412342590 /nfs/dbraw/zinc/34/25/90/412342590.db2.gz HVCLVBDNBQOMAU-MRVPVSSYSA-N 1 0 236.275 1.061 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000665529699 412348583 /nfs/dbraw/zinc/34/85/83/412348583.db2.gz RFTHVOBKPDTVRL-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000665531161 412350221 /nfs/dbraw/zinc/35/02/21/412350221.db2.gz QTCAHNMZNOXMFX-LLVKDONJSA-N 1 0 226.320 0.334 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](Nc2ccc(C#N)nn2)C1 ZINC000611240905 412367709 /nfs/dbraw/zinc/36/77/09/412367709.db2.gz HGWQSQLKHUSUPF-LLVKDONJSA-N 1 0 247.302 0.481 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@@H](C)C[NH2+]C ZINC000662962268 412355863 /nfs/dbraw/zinc/35/58/63/412355863.db2.gz JHOUTTQNXRYNMN-UWVGGRQHSA-N 1 0 214.309 0.692 20 30 BCEDRO C=CCCOCC(=O)N[C@H](C)C[NH2+]C ZINC000662961214 412356078 /nfs/dbraw/zinc/35/60/78/412356078.db2.gz FDUCHEQKHRDJBV-SECBINFHSA-N 1 0 200.282 0.303 20 30 BCEDRO CC(C)[N@H+](C)CCNc1ccc(C#N)c(N)n1 ZINC000573697487 412290736 /nfs/dbraw/zinc/29/07/36/412290736.db2.gz SMCNDZGDIAHFCL-UHFFFAOYSA-N 1 0 233.319 1.288 20 30 BCEDRO C=CC[C@@]1(C(=O)NC[C@@H](C)OC)CCC[NH2+]1 ZINC000662791012 412304423 /nfs/dbraw/zinc/30/44/23/412304423.db2.gz IAQJPJXDUCDDTK-PWSUYJOCSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000133021026 412391681 /nfs/dbraw/zinc/39/16/81/412391681.db2.gz UQSPYHNKGVPRIJ-UWVGGRQHSA-N 1 0 212.293 0.527 20 30 BCEDRO CN(C(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@H]12)C1CC1 ZINC000190094119 172291293 /nfs/dbraw/zinc/29/12/93/172291293.db2.gz IPYCPMBXHRTNMK-MXWKQRLJSA-N 1 0 223.320 0.963 20 30 BCEDRO CN(C)C(=O)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336772703 172360067 /nfs/dbraw/zinc/36/00/67/172360067.db2.gz XZYJALNHGOVIBS-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[NH+](C)C(C)(C)CNC(=O)c1c[nH]c(C#N)c1 ZINC000271954380 172395229 /nfs/dbraw/zinc/39/52/29/172395229.db2.gz FFKJHZQYXMYSTR-UHFFFAOYSA-N 1 0 234.303 0.956 20 30 BCEDRO C[NH+]1CCC(NC(=O)c2cc(C#N)c[nH]2)CC1 ZINC000175148770 172993648 /nfs/dbraw/zinc/99/36/48/172993648.db2.gz UKJUDJHRIXXSQN-UHFFFAOYSA-N 1 0 232.287 0.710 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CCN1CCO[C@@H](C#N)C1 ZINC000245705422 173054181 /nfs/dbraw/zinc/05/41/81/173054181.db2.gz YJACDKBRNVSLCS-RYUDHWBXSA-N 1 0 223.320 0.695 20 30 BCEDRO C[NH+]1CCN(CCNc2nccnc2C#N)CC1 ZINC000054377515 173081554 /nfs/dbraw/zinc/08/15/54/173081554.db2.gz UIOAIPYAGFAIMD-UHFFFAOYSA-N 1 0 246.318 0.008 20 30 BCEDRO CN1C[C@@H]([NH2+]Cc2ccc(C#N)cc2)CC1=O ZINC000098009394 173186897 /nfs/dbraw/zinc/18/68/97/173186897.db2.gz XPXJQKFIPJXRNP-LBPRGKRZSA-N 1 0 229.283 0.879 20 30 BCEDRO Cn1cc(C[NH2+][C@@H]2CC(=O)N(C)C2)cc1C#N ZINC000276946566 173194514 /nfs/dbraw/zinc/19/45/14/173194514.db2.gz IGALZZAHKNAADM-SNVBAGLBSA-N 1 0 232.287 0.217 20 30 BCEDRO C[N@H+]1C[C@H]2CN(C(=O)c3c[nH]c(C#N)c3)C[C@H]2C1 ZINC000192567846 173197733 /nfs/dbraw/zinc/19/77/33/173197733.db2.gz NTMWDCZOWLXIQK-PHIMTYICSA-N 1 0 244.298 0.520 20 30 BCEDRO CNC(NCc1ccnc(OC(F)F)c1)=[NH+]C ZINC000283818003 173210966 /nfs/dbraw/zinc/21/09/66/173210966.db2.gz CKESVAACRAFFSL-UHFFFAOYSA-N 1 0 244.245 0.978 20 30 BCEDRO CNC(=O)C1CN(Cc2cccc(C#N)c2)C1 ZINC000274546559 173226981 /nfs/dbraw/zinc/22/69/81/173226981.db2.gz WAMJLAOKWFBDSP-UHFFFAOYSA-N 1 0 229.283 0.736 20 30 BCEDRO COCC[N@H+](C)CCNc1ncccc1C#N ZINC000061379732 174278493 /nfs/dbraw/zinc/27/84/93/174278493.db2.gz CLHIQPVBHWYIOT-UHFFFAOYSA-N 1 0 234.303 0.943 20 30 BCEDRO COCC[N@H+](C)CCNc1nccnc1C#N ZINC000061379469 174278681 /nfs/dbraw/zinc/27/86/81/174278681.db2.gz WBUDGOUCIAWKSK-UHFFFAOYSA-N 1 0 235.291 0.338 20 30 BCEDRO COCC[N@H+](C)CCNc1nccc(C#N)n1 ZINC000231900771 174279600 /nfs/dbraw/zinc/27/96/00/174279600.db2.gz HALYFXKDZSITBK-UHFFFAOYSA-N 1 0 235.291 0.338 20 30 BCEDRO COCC[N@H+](CCO)Cc1cc(C#N)n(C)c1 ZINC000191311301 174293839 /nfs/dbraw/zinc/29/38/39/174293839.db2.gz OJAGHMNRRRIZMW-UHFFFAOYSA-N 1 0 237.303 0.337 20 30 BCEDRO COCCNC(=[NH2+])NCc1cc(C)no1 ZINC000195523205 174303230 /nfs/dbraw/zinc/30/32/30/174303230.db2.gz DYONAIDIXLOXFH-UHFFFAOYSA-N 1 0 212.253 0.034 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C#N)[nH]1 ZINC000286868018 175699222 /nfs/dbraw/zinc/69/92/22/175699222.db2.gz CVDYYAFSRBKQCD-QMMMGPOBSA-N 1 0 220.276 0.566 20 30 BCEDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCC#N ZINC000042428683 176197000 /nfs/dbraw/zinc/19/70/00/176197000.db2.gz VSRUVMSWMIXDNA-NXEZZACHSA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278622811 177033399 /nfs/dbraw/zinc/03/33/99/177033399.db2.gz FYBOAZPWIFETFK-WQAKAFBOSA-N 1 0 232.283 0.657 20 30 BCEDRO C[C@H](c1cccc(C#N)c1)[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000278757438 177035510 /nfs/dbraw/zinc/03/55/10/177035510.db2.gz MKVHEMKKUGJESV-OASPWFOLSA-N 1 0 232.283 0.657 20 30 BCEDRO C[C@@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)[C@H]1C ZINC000336779546 177433793 /nfs/dbraw/zinc/43/37/93/177433793.db2.gz OQDKRJVVCZSDJP-KXUCPTDWSA-N 1 0 219.292 0.784 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCCCC#N ZINC000487023765 225281144 /nfs/dbraw/zinc/28/11/44/225281144.db2.gz SSALHWUDZNPMSP-ZJUUUORDSA-N 1 0 209.293 0.604 20 30 BCEDRO N#CCCC[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495249035 226280165 /nfs/dbraw/zinc/28/01/65/226280165.db2.gz CTBMRUYXAFMXHO-UHFFFAOYSA-N 1 0 223.276 0.865 20 30 BCEDRO N#CCN1CC[NH+](C[C@@H]2CCSC2)CC1 ZINC000494945081 226272252 /nfs/dbraw/zinc/27/22/52/226272252.db2.gz FGVUKEKYPYPNIP-NSHDSACASA-N 1 0 225.361 0.881 20 30 BCEDRO N#CCCCN1CCN2C(=O)OCC[C@H]2C1 ZINC000497085512 226321866 /nfs/dbraw/zinc/32/18/66/226321866.db2.gz UVHRPQXTFOZQOH-JTQLQIEISA-N 1 0 223.276 0.817 20 30 BCEDRO N#CCCCN1CCN2C(=O)OCC[C@@H]2C1 ZINC000497085513 226322092 /nfs/dbraw/zinc/32/20/92/226322092.db2.gz UVHRPQXTFOZQOH-SNVBAGLBSA-N 1 0 223.276 0.817 20 30 BCEDRO C[C@H](CNc1cncc(C#N)n1)[NH+](C)C ZINC000401347799 226355268 /nfs/dbraw/zinc/35/52/68/226355268.db2.gz VXRWQJQJASWQRM-MRVPVSSYSA-N 1 0 205.265 0.710 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[NH+](CC)CC ZINC000665063394 487661610 /nfs/dbraw/zinc/66/16/10/487661610.db2.gz XJWXLFJATCEOGG-LLVKDONJSA-N 1 0 214.309 0.381 20 30 BCEDRO CC#CCC[NH+]1CCC(NC(=O)COC)CC1 ZINC000680883082 487663490 /nfs/dbraw/zinc/66/34/90/487663490.db2.gz WXEXVKGCNISSML-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000681098774 487721981 /nfs/dbraw/zinc/72/19/81/487721981.db2.gz DOVKARFNYYKZHO-RYUDHWBXSA-N 1 0 227.304 0.415 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000681098772 487722443 /nfs/dbraw/zinc/72/24/43/487722443.db2.gz DOVKARFNYYKZHO-NEPJUHHUSA-N 1 0 227.304 0.415 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000668423049 487728922 /nfs/dbraw/zinc/72/89/22/487728922.db2.gz NLHBCLRSFCZMEY-NEPJUHHUSA-N 1 0 238.331 0.620 20 30 BCEDRO COCC#CCN(C)CC[N@H+](C)C1CC1 ZINC000681168261 487740638 /nfs/dbraw/zinc/74/06/38/487740638.db2.gz NRMNUCUVOLRZPG-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C=CCOCCCNC(=O)NC1CC[NH2+]CC1 ZINC000659505138 487744785 /nfs/dbraw/zinc/74/47/85/487744785.db2.gz PZSABTXDFGEONI-UHFFFAOYSA-N 1 0 241.335 0.630 20 30 BCEDRO C[C@@H]1C[C@H](C)[N@H+](CC(=O)NCCC#N)C1 ZINC000740883344 585107814 /nfs/dbraw/zinc/10/78/14/585107814.db2.gz NQKFJTJYKIOFKR-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000666453304 487812541 /nfs/dbraw/zinc/81/25/41/487812541.db2.gz ASOLDSDGHJTAHD-AXFHLTTASA-N 1 0 224.304 0.276 20 30 BCEDRO C=CC[C@H]1CC[C@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC000651664095 487813574 /nfs/dbraw/zinc/81/35/74/487813574.db2.gz DCCFZBYBYIGUKF-QWRGUYRKSA-N 1 0 246.376 0.870 20 30 BCEDRO C=CCOCCCNC(=O)NCC[NH+](C)C ZINC000666519959 487826591 /nfs/dbraw/zinc/82/65/91/487826591.db2.gz ZKQQQBBLFJTCMV-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C#CCCC[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494140607 526707348 /nfs/dbraw/zinc/70/73/48/526707348.db2.gz DRUKLRSNVASUSA-LLVKDONJSA-N 1 0 222.288 0.926 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000491505409 527369205 /nfs/dbraw/zinc/36/92/05/527369205.db2.gz LWADVNAKHDWHNF-GHMZBOCLSA-N 1 0 223.320 0.840 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000676287280 487832735 /nfs/dbraw/zinc/83/27/35/487832735.db2.gz RCCQWGGISFISBD-QWRGUYRKSA-N 1 0 242.319 0.024 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000668095386 487836239 /nfs/dbraw/zinc/83/62/39/487836239.db2.gz IEYFOLSOMWMGRN-BXKDBHETSA-N 1 0 226.320 0.522 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000666607865 487840516 /nfs/dbraw/zinc/84/05/16/487840516.db2.gz DMWNKHJGKZLMQM-WZRBSPASSA-N 1 0 238.331 0.666 20 30 BCEDRO C#CCOCC[N@@H+](CCC(=O)OC)C(C)C ZINC000851772129 588625733 /nfs/dbraw/zinc/62/57/33/588625733.db2.gz YAZWJLUZXOTXRY-UHFFFAOYSA-N 1 0 227.304 0.910 20 30 BCEDRO C#CCOCCN1CC[N@@H+](CC)[C@@H](C)C1 ZINC000851867037 588636962 /nfs/dbraw/zinc/63/69/62/588636962.db2.gz ZYKYWSGNFMPJQL-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO CCN1C[C@@H](CN[C@@H](C)CC#N)OC1=O ZINC000878821238 590627565 /nfs/dbraw/zinc/62/75/65/590627565.db2.gz URPZBSQPLNOFEN-DTWKUNHWSA-N 1 0 211.265 0.719 20 30 BCEDRO CS[C@@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000930610466 639821219 /nfs/dbraw/zinc/82/12/19/639821219.db2.gz PUTZOBVADOUDFI-RKDXNWHRSA-N 1 0 200.307 0.698 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](O)[C@H](F)C1 ZINC000934578617 641207438 /nfs/dbraw/zinc/20/74/38/641207438.db2.gz UZUIHKYNRQMZDF-AXFHLTTASA-N 1 0 217.284 0.718 20 30 BCEDRO CN(Cc1c[nH]cn1)C(=O)NCCCC#N ZINC000595579267 487872272 /nfs/dbraw/zinc/87/22/72/487872272.db2.gz GXMNYPDFGZOBAB-UHFFFAOYSA-N 1 0 221.264 0.855 20 30 BCEDRO CC(C)[NH2+]C1(CO)CCN(CC#N)CC1 ZINC000569351706 322962527 /nfs/dbraw/zinc/96/25/27/322962527.db2.gz LRBFTBMMRRANFC-UHFFFAOYSA-N 1 0 211.309 0.335 20 30 BCEDRO C=CCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC000234849300 487886118 /nfs/dbraw/zinc/88/61/18/487886118.db2.gz KMQPLFQUTHJWKH-GHMZBOCLSA-N 1 0 217.309 0.565 20 30 BCEDRO CC#CCC[NH2+]C[C@@H](O)COCCOC ZINC000234890832 487887466 /nfs/dbraw/zinc/88/74/66/487887466.db2.gz SXRQAFIIIZYBMA-LLVKDONJSA-N 1 0 215.293 0.013 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(C(N)=O)CC1 ZINC000929213971 646012482 /nfs/dbraw/zinc/01/24/82/646012482.db2.gz FBKAPDROFIDCNG-JTQLQIEISA-N 1 0 212.293 0.121 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](COC)OC)C1 ZINC000852216235 645474906 /nfs/dbraw/zinc/47/49/06/645474906.db2.gz WXBKCXJUKCJUNN-NEPJUHHUSA-N 1 0 211.305 0.993 20 30 BCEDRO C=CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])[C@H](C)COC ZINC000659547901 487892244 /nfs/dbraw/zinc/89/22/44/487892244.db2.gz FQPKRLWOTKQJAW-GMTAPVOTSA-N 1 0 243.351 0.955 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925406481 646261282 /nfs/dbraw/zinc/26/12/82/646261282.db2.gz NOTWKNXETQWJRB-ZJUUUORDSA-N 1 0 211.309 0.954 20 30 BCEDRO C=C[C@@H](O)C(=O)Nc1cccnc1N(C)C ZINC000667000882 487926108 /nfs/dbraw/zinc/92/61/08/487926108.db2.gz SDQPIQRSEHPIJL-SECBINFHSA-N 1 0 221.260 0.633 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000682221868 487929653 /nfs/dbraw/zinc/92/96/53/487929653.db2.gz RDJJTLZRXYPTQM-TUAOUCFPSA-N 1 0 229.320 0.659 20 30 BCEDRO C=CCCCN(C)C(=O)COCC[NH3+] ZINC000158402168 487955531 /nfs/dbraw/zinc/95/55/31/487955531.db2.gz ZVUQEIKHDXORLT-UHFFFAOYSA-N 1 0 200.282 0.386 20 30 BCEDRO Cc1nc(C(=O)N2CCC[C@@H]([NH3+])C2)ccc1C#N ZINC000569587547 322971624 /nfs/dbraw/zinc/97/16/24/322971624.db2.gz ZXMCFYKSDAYUDF-LLVKDONJSA-N 1 0 244.298 0.825 20 30 BCEDRO CC(C)[C@@H](O)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000561310601 322999143 /nfs/dbraw/zinc/99/91/43/322999143.db2.gz WWFNURDYUVKXJJ-SNVBAGLBSA-N 1 0 239.319 0.107 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245614142 323006845 /nfs/dbraw/zinc/00/68/45/323006845.db2.gz XCNAHPIUUBAOJX-NWDGAFQWSA-N 1 0 239.363 0.609 20 30 BCEDRO C=CCNC(=O)CN[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000245614148 323006925 /nfs/dbraw/zinc/00/69/25/323006925.db2.gz XCNAHPIUUBAOJX-RYUDHWBXSA-N 1 0 239.363 0.609 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000247008073 323011759 /nfs/dbraw/zinc/01/17/59/323011759.db2.gz HBAVFVSPVZYUQR-SRVKXCTJSA-N 1 0 220.316 0.856 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(C#N)[nH]1 ZINC000133562852 323019277 /nfs/dbraw/zinc/01/92/77/323019277.db2.gz ZSEZXBNTZVZHHD-UHFFFAOYSA-N 1 0 234.303 0.956 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)[C@]1(C#N)C[C@@H]1C ZINC000448976491 323037343 /nfs/dbraw/zinc/03/73/43/323037343.db2.gz NAYBVYBRXUNUNW-UMNHJUIQSA-N 1 0 223.320 0.993 20 30 BCEDRO N#CCC[NH2+]CCCn1nc2n(c1=O)CCCC2 ZINC000569712485 323038186 /nfs/dbraw/zinc/03/81/86/323038186.db2.gz HFRLGGPHJYDIEX-UHFFFAOYSA-N 1 0 249.318 0.274 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000569814393 323041288 /nfs/dbraw/zinc/04/12/88/323041288.db2.gz WWPHWEAJNIZDRE-BDAKNGLRSA-N 1 0 231.321 0.041 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000569814396 323041394 /nfs/dbraw/zinc/04/13/94/323041394.db2.gz WWPHWEAJNIZDRE-IUCAKERBSA-N 1 0 231.321 0.041 20 30 BCEDRO CCOC[C@H](O)C[NH2+]CC(C)(C)CC#N ZINC000570273486 323054565 /nfs/dbraw/zinc/05/45/65/323054565.db2.gz NFWYWRRXRXZNRW-SNVBAGLBSA-N 1 0 214.309 0.913 20 30 BCEDRO CC[C@@H]([NH3+])CNS(=O)(=O)c1ccc(C#N)o1 ZINC000570293451 323055599 /nfs/dbraw/zinc/05/55/99/323055599.db2.gz PPEXRIJBEWFYSQ-SSDOTTSWSA-N 1 0 243.288 0.167 20 30 BCEDRO CC[C@H]([NH3+])CNS(=O)(=O)c1ccc(C#N)o1 ZINC000570293454 323055602 /nfs/dbraw/zinc/05/56/02/323055602.db2.gz PPEXRIJBEWFYSQ-ZETCQYMHSA-N 1 0 243.288 0.167 20 30 BCEDRO CNC(=O)CCC[N@H+](C)C[C@H](C#N)CCC#N ZINC000155360600 323061643 /nfs/dbraw/zinc/06/16/43/323061643.db2.gz BLYXWVOYTSIUIA-NSHDSACASA-N 1 0 236.319 0.888 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@@H]1CCCNC1=O ZINC000572778171 323068266 /nfs/dbraw/zinc/06/82/66/323068266.db2.gz ABTFCSFJCDYUKF-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCN1CCC([NH2+][C@H](C)[C@@H](C)O)CC1 ZINC000570836015 323072089 /nfs/dbraw/zinc/07/20/89/323072089.db2.gz APHQVMOFCRTAQC-GHMZBOCLSA-N 1 0 212.337 0.996 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CCC[NH+](C)C ZINC000570914762 323074019 /nfs/dbraw/zinc/07/40/19/323074019.db2.gz SHYPIJYXYIZWOL-NEPJUHHUSA-N 1 0 240.347 0.988 20 30 BCEDRO CO[C@@H](C[NH3+])C(=O)N1CCC(CCC#N)CC1 ZINC000570929116 323074418 /nfs/dbraw/zinc/07/44/18/323074418.db2.gz CTNRHAQSSCAQLV-NSHDSACASA-N 1 0 239.319 0.502 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](CCCC)CCCO ZINC000182137858 323081855 /nfs/dbraw/zinc/08/18/55/323081855.db2.gz SXLMHNFRMNNUFV-LBPRGKRZSA-N 1 0 240.347 0.609 20 30 BCEDRO CC1(C)C[N@H+](CCOCCC#N)C[C@H]1O ZINC000339138329 323085956 /nfs/dbraw/zinc/08/59/56/323085956.db2.gz KHKIWCAYQCGEMJ-SNVBAGLBSA-N 1 0 212.293 0.619 20 30 BCEDRO CCC#C[C@H](C)N1CCN(C(C)=O)CC1 ZINC000677047110 487957390 /nfs/dbraw/zinc/95/73/90/487957390.db2.gz SIGJSOBCZPCGTB-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO COC(=O)C1(O)CC[NH+]([C@H](C)CCC#N)CC1 ZINC000563212184 323102192 /nfs/dbraw/zinc/10/21/92/323102192.db2.gz UUSBTIILDPWPFK-SNVBAGLBSA-N 1 0 240.303 0.679 20 30 BCEDRO CNC(=O)[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000571048853 323105311 /nfs/dbraw/zinc/10/53/11/323105311.db2.gz AMRIJZBXLKFWJI-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000571057611 323106160 /nfs/dbraw/zinc/10/61/60/323106160.db2.gz YWEAPVGCRWNPIM-GHMZBOCLSA-N 1 0 222.292 0.526 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@H]([NH3+])C[C@H]2C)C1=O ZINC000563349503 323120104 /nfs/dbraw/zinc/12/01/04/323120104.db2.gz RTGZPOZMNVVLQC-WOPDTQHZSA-N 1 0 237.347 0.585 20 30 BCEDRO C=CCCCCCNC(=O)N(CC[NH3+])CCO ZINC000563421919 323124140 /nfs/dbraw/zinc/12/41/40/323124140.db2.gz XXRRVVWMHZMWCG-UHFFFAOYSA-N 1 0 243.351 0.695 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)CCCO ZINC000281832505 323176792 /nfs/dbraw/zinc/17/67/92/323176792.db2.gz MKTWSFAKMDEPHB-UHFFFAOYSA-N 1 0 228.336 0.725 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](c2nccn2C)C1 ZINC000536068789 323195667 /nfs/dbraw/zinc/19/56/67/323195667.db2.gz NOXVWJJOTKYQIH-LLVKDONJSA-N 1 0 248.330 0.512 20 30 BCEDRO C#CCNC(=O)NCC[N@@H+](CC)C(C)C ZINC000102544552 323208880 /nfs/dbraw/zinc/20/88/80/323208880.db2.gz XYCSSMUAGPYXDY-UHFFFAOYSA-N 1 0 211.309 0.649 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)c1ccnc(C#N)c1 ZINC000527002158 323310885 /nfs/dbraw/zinc/31/08/85/323310885.db2.gz KNOMEYXZMMYKOX-UHFFFAOYSA-N 1 0 246.314 0.977 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ccnc(C#N)n1 ZINC000392827895 323387370 /nfs/dbraw/zinc/38/73/70/323387370.db2.gz ABUFXWPOCVPOIG-UHFFFAOYSA-N 1 0 229.287 0.137 20 30 BCEDRO CC[C@@H](C#N)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000571819211 323486081 /nfs/dbraw/zinc/48/60/81/323486081.db2.gz SFAOGFGATKYPPZ-JTQLQIEISA-N 1 0 249.318 0.477 20 30 BCEDRO COC[C@H](C)OC[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000571993296 323518455 /nfs/dbraw/zinc/51/84/55/323518455.db2.gz DAWKXTVGUXUUDI-QWRGUYRKSA-N 1 0 242.319 0.292 20 30 BCEDRO C[C@@H](C[NH3+])N(C)C(=O)COc1ccc(C#N)cc1 ZINC000572052060 323533874 /nfs/dbraw/zinc/53/38/74/323533874.db2.gz DJDUPJUTJOJCFL-JTQLQIEISA-N 1 0 247.298 0.743 20 30 BCEDRO COc1cc(C#N)ccc1NC(=O)N(C)CC[NH3+] ZINC000572130548 323538221 /nfs/dbraw/zinc/53/82/21/323538221.db2.gz JNAHHBDFIMNFAW-UHFFFAOYSA-N 1 0 248.286 0.989 20 30 BCEDRO C=CC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC ZINC000121450065 324013292 /nfs/dbraw/zinc/01/32/92/324013292.db2.gz FOSYOAJRFWYLTQ-MRVPVSSYSA-N 1 0 213.281 0.338 20 30 BCEDRO C=CC(C)(C)C(=O)NCCOCC[NH+](C)C ZINC000450437029 324142093 /nfs/dbraw/zinc/14/20/93/324142093.db2.gz KFMSZXUJSMBVHK-UHFFFAOYSA-N 1 0 228.336 0.893 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)C(F)(F)F ZINC000491692503 324157915 /nfs/dbraw/zinc/15/79/15/324157915.db2.gz RINDIWADQASTLL-MRVPVSSYSA-N 1 0 236.237 0.914 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)[C@H](C)CC ZINC000491737130 324158833 /nfs/dbraw/zinc/15/88/33/324158833.db2.gz VOVTUDNGRBTGIU-MNOVXSKESA-N 1 0 226.320 0.123 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000491779204 324161160 /nfs/dbraw/zinc/16/11/60/324161160.db2.gz IWHWJABQDUNEDN-UKKRHICBSA-N 1 0 221.304 0.305 20 30 BCEDRO CNS(=O)(=O)[C@@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000572527662 324190687 /nfs/dbraw/zinc/19/06/87/324190687.db2.gz HEQFAKVZZYUANF-NXEZZACHSA-N 1 0 245.348 0.302 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000659563221 487965358 /nfs/dbraw/zinc/96/53/58/487965358.db2.gz SEIBQVBQXUJAFH-NSHDSACASA-N 1 0 211.309 0.943 20 30 BCEDRO CC(C)n1cc([C@H](C)[NH2+]CC(=O)NCC#N)cn1 ZINC000542573331 325035537 /nfs/dbraw/zinc/03/55/37/325035537.db2.gz OQNCRHQJOSGUQO-JTQLQIEISA-N 1 0 249.318 0.754 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCCC[NH+]1CCCC1 ZINC000542875477 325059683 /nfs/dbraw/zinc/05/96/83/325059683.db2.gz KAMXNLCXYYNJIM-LLVKDONJSA-N 1 0 238.335 0.931 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000132525385 325222893 /nfs/dbraw/zinc/22/28/93/325222893.db2.gz GMIOIKMEEPZGKB-UHFFFAOYSA-N 1 0 211.309 0.862 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)COC)C1=O ZINC000545992549 325255170 /nfs/dbraw/zinc/25/51/70/325255170.db2.gz FJZZIDQGDSGNID-VXGBXAGGSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1[C@H](C)C[C@H]1C ZINC000547768573 325394251 /nfs/dbraw/zinc/39/42/51/325394251.db2.gz AWGMZPLLLOEPEK-BBBLOLIVSA-N 1 0 239.319 0.869 20 30 BCEDRO CC#CCNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000135191043 325399966 /nfs/dbraw/zinc/39/99/66/325399966.db2.gz UHCXMEVXPBJQHL-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@@H+](C)C1CCCCC1 ZINC000667300006 487968014 /nfs/dbraw/zinc/96/80/14/487968014.db2.gz GJXIQIZSZCEQTC-LBPRGKRZSA-N 1 0 240.347 0.914 20 30 BCEDRO C#CCNC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000079264120 325448380 /nfs/dbraw/zinc/44/83/80/325448380.db2.gz PXOBWXYYYKLNBK-UHFFFAOYSA-N 1 0 235.331 0.889 20 30 BCEDRO CC(=O)NCCC[NH+]1CCC(C#N)CC1 ZINC000141932299 325618985 /nfs/dbraw/zinc/61/89/85/325618985.db2.gz KFPRDNDXDQHDRT-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO CC[C@@H]([NH3+])CNC(=O)COc1ccc(C#N)cc1 ZINC000572537701 325696084 /nfs/dbraw/zinc/69/60/84/325696084.db2.gz JLAOTPZNFZBHGD-LLVKDONJSA-N 1 0 247.298 0.791 20 30 BCEDRO CC[C@@H](C(=O)NCC1(C#N)CC1)[NH+](C)C ZINC000555862086 325771550 /nfs/dbraw/zinc/77/15/50/325771550.db2.gz OLCDZUYVAOQHPY-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO Cc1cc(C#N)cnc1C(=O)N1CC([NH+](C)C)C1 ZINC000565319858 325896503 /nfs/dbraw/zinc/89/65/03/325896503.db2.gz VZUXCRQGALAPOL-UHFFFAOYSA-N 1 0 244.298 0.648 20 30 BCEDRO COC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(C)C ZINC000566094642 325993533 /nfs/dbraw/zinc/99/35/33/325993533.db2.gz KFYSBEDTFVIGEH-WDEREUQCSA-N 1 0 241.335 0.795 20 30 BCEDRO N#CCCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000566107241 325996525 /nfs/dbraw/zinc/99/65/25/325996525.db2.gz HDKNGHRMOUGVPX-NSHDSACASA-N 1 0 222.292 0.527 20 30 BCEDRO C[C@@H](C#N)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000566436996 326047044 /nfs/dbraw/zinc/04/70/44/326047044.db2.gz JGMPLEIJHLWYJB-JTQLQIEISA-N 1 0 249.318 0.334 20 30 BCEDRO CC[NH+](CC)[C@H](C)CNc1ccnc(C#N)n1 ZINC000566485386 326057136 /nfs/dbraw/zinc/05/71/36/326057136.db2.gz IBRWSXYRNMFAFS-SNVBAGLBSA-N 1 0 233.319 0.912 20 30 BCEDRO CCN1C[C@H](NC[C@@H](C#N)CCC#N)CC1=O ZINC000567161166 326126365 /nfs/dbraw/zinc/12/63/65/326126365.db2.gz OITNYKUVKKTSJX-GHMZBOCLSA-N 1 0 234.303 0.640 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NC(=O)NCC1(C#N)CC1 ZINC000567257423 326151229 /nfs/dbraw/zinc/15/12/29/326151229.db2.gz UYIRLDLGWWWYIE-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO CCCN(CC#N)C[C@H](O)C[N@H+](C)CCOC ZINC000310550983 326194798 /nfs/dbraw/zinc/19/47/98/326194798.db2.gz UNIJBWYXYKGXTB-GFCCVEGCSA-N 1 0 243.351 0.161 20 30 BCEDRO C=C1CCN(C[C@H](O)C[N@@H+](C)CC)CC1 ZINC000567482949 326201759 /nfs/dbraw/zinc/20/17/59/326201759.db2.gz CYITYRXFSVWIMZ-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COC(C)C ZINC000567581645 326222592 /nfs/dbraw/zinc/22/25/92/326222592.db2.gz JVIBCCJWXOGGTB-XQQFMLRXSA-N 1 0 243.347 0.953 20 30 BCEDRO C[C@H](C#N)CNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000567632067 326235257 /nfs/dbraw/zinc/23/52/57/326235257.db2.gz OUDZCVJAAXWSNI-GHMZBOCLSA-N 1 0 238.335 0.882 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@@H]1CC1(C)C ZINC000567691037 326246017 /nfs/dbraw/zinc/24/60/17/326246017.db2.gz NTGOAJMSMUVJPN-RYUDHWBXSA-N 1 0 239.363 0.828 20 30 BCEDRO CC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000567700858 326247750 /nfs/dbraw/zinc/24/77/50/326247750.db2.gz SHLPXYXDQSTJPR-IJLUTSLNSA-N 1 0 225.336 0.581 20 30 BCEDRO C=CCOCCC[N@@H+]1CCn2nncc2C1 ZINC000567748111 326254811 /nfs/dbraw/zinc/25/48/11/326254811.db2.gz KVXXBAFYLOGMKD-UHFFFAOYSA-N 1 0 222.292 0.686 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000568104986 326309104 /nfs/dbraw/zinc/30/91/04/326309104.db2.gz KYGNRQZBKUTYDK-PWSUYJOCSA-N 1 0 239.319 0.373 20 30 BCEDRO C=CCN(CCC#N)C[C@H](O)C[N@@H+](C)CC ZINC000568176893 326320615 /nfs/dbraw/zinc/32/06/15/326320615.db2.gz HVASHBQXQCYGMN-GFCCVEGCSA-N 1 0 225.336 0.701 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)NCC(C)(C)CC#N)C1 ZINC000315528589 326329653 /nfs/dbraw/zinc/32/96/53/326329653.db2.gz GLKAXZQMTBRLKZ-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO CC[C@@H](COC)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000568873316 326380393 /nfs/dbraw/zinc/38/03/93/326380393.db2.gz STCVGYDKYGRAHC-NWDGAFQWSA-N 1 0 243.351 0.207 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000668589069 487972198 /nfs/dbraw/zinc/97/21/98/487972198.db2.gz XAWJFBRPCUBZSU-WDEREUQCSA-N 1 0 224.304 0.086 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)N(C)Cc1cn[nH]c1 ZINC000085826447 487972436 /nfs/dbraw/zinc/97/24/36/487972436.db2.gz UAFCPUIIWCYUSG-SNVBAGLBSA-N 1 0 249.318 0.602 20 30 BCEDRO C=C[C@H](C)NC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000158715807 487972886 /nfs/dbraw/zinc/97/28/86/487972886.db2.gz NFYKEFJYHLKKRG-DTWKUNHWSA-N 1 0 214.334 0.772 20 30 BCEDRO CCN(CCC#N)C[C@H](O)C[N@H+](C)CC ZINC000309013312 487976891 /nfs/dbraw/zinc/97/68/91/487976891.db2.gz PYTRTFOXKGJISC-LLVKDONJSA-N 1 0 213.325 0.535 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H](COC)C1 ZINC000677132945 487979646 /nfs/dbraw/zinc/97/96/46/487979646.db2.gz AMIOAZWBLNUWLU-LBPRGKRZSA-N 1 0 211.305 0.995 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H](CNC(C)=O)C1 ZINC000677133190 487980112 /nfs/dbraw/zinc/98/01/12/487980112.db2.gz LVMDANWGDARODR-ZDUSSCGKSA-N 1 0 238.331 0.484 20 30 BCEDRO CC[C@@H](CO)[NH+]1CCN(CC#CCOC)CC1 ZINC000677133421 487980228 /nfs/dbraw/zinc/98/02/28/487980228.db2.gz UWLNNZBAGRPGHG-ZDUSSCGKSA-N 1 0 240.347 0.025 20 30 BCEDRO CC[C@H](CO)[NH+]1CCN(CC#CCOC)CC1 ZINC000677133420 487980788 /nfs/dbraw/zinc/98/07/88/487980788.db2.gz UWLNNZBAGRPGHG-CYBMUJFWSA-N 1 0 240.347 0.025 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000667351025 487983129 /nfs/dbraw/zinc/98/31/29/487983129.db2.gz BSMCXRCEKOPOHC-GFCCVEGCSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668598038 487985417 /nfs/dbraw/zinc/98/54/17/487985417.db2.gz HSDJJXOQVQAJPN-YPMHNXCESA-N 1 0 238.331 0.619 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000667377185 487989697 /nfs/dbraw/zinc/98/96/97/487989697.db2.gz MWQHNQYAJNQYOM-WCQYABFASA-N 1 0 240.347 0.770 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC000193683655 488001180 /nfs/dbraw/zinc/00/11/80/488001180.db2.gz ZHFVYFZUWWQPMB-SNVBAGLBSA-N 1 0 241.360 0.844 20 30 BCEDRO CC#CCN(C)CC(=O)Nc1cc(C)nn1C ZINC000293348612 488012487 /nfs/dbraw/zinc/01/24/87/488012487.db2.gz ZEBFOUQFZZXECJ-UHFFFAOYSA-N 1 0 234.303 0.622 20 30 BCEDRO C#CCNC(=O)CCN(C)c1cc[nH+]cc1 ZINC000490934362 488027182 /nfs/dbraw/zinc/02/71/82/488027182.db2.gz HOLXSKDGBMIWFM-UHFFFAOYSA-N 1 0 217.272 0.657 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000295503851 488029234 /nfs/dbraw/zinc/02/92/34/488029234.db2.gz OCQQBYSUSOUAPK-UWVGGRQHSA-N 1 0 212.293 0.091 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](O)CO[C@@H](C)COC ZINC000491788989 488040304 /nfs/dbraw/zinc/04/03/04/488040304.db2.gz UARGDWYVQWNJAT-NWDGAFQWSA-N 1 0 243.347 0.742 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000667563082 488046918 /nfs/dbraw/zinc/04/69/18/488046918.db2.gz UMQYYRUUUQJUAB-YPMHNXCESA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)CCOCCOC ZINC000677519170 488063234 /nfs/dbraw/zinc/06/32/34/488063234.db2.gz REVUMUICEJTEIC-NSHDSACASA-N 1 0 217.309 0.518 20 30 BCEDRO C=CCOCCCC(=O)NCC[NH2+]C1CC1 ZINC000236672094 488081031 /nfs/dbraw/zinc/08/10/31/488081031.db2.gz ILWZVCJOQJHKDP-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000668687417 488116116 /nfs/dbraw/zinc/11/61/16/488116116.db2.gz CDZOCUFBJZTRDD-UWVGGRQHSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000668690581 488120690 /nfs/dbraw/zinc/12/06/90/488120690.db2.gz WUBVNBNIQQERQY-PWSUYJOCSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](F)(CO)C1 ZINC000670110925 488122963 /nfs/dbraw/zinc/12/29/63/488122963.db2.gz AOVBGUCAZNBEPX-ZJUUUORDSA-N 1 0 203.257 0.330 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@](F)(CO)C1 ZINC000670110924 488123157 /nfs/dbraw/zinc/12/31/57/488123157.db2.gz AOVBGUCAZNBEPX-VHSXEESVSA-N 1 0 203.257 0.330 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000669249422 488126566 /nfs/dbraw/zinc/12/65/66/488126566.db2.gz KUMMVTIHDOSLRZ-RYUDHWBXSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000382547623 487545638 /nfs/dbraw/zinc/54/56/38/487545638.db2.gz QAURSLWEYCBWKG-JTQLQIEISA-N 1 0 210.277 0.153 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000677819764 488136218 /nfs/dbraw/zinc/13/62/18/488136218.db2.gz QJAQMTFGTXLVIO-NWDGAFQWSA-N 1 0 211.305 0.729 20 30 BCEDRO C=CCOCCNC(=O)C1([NH3+])CCCCC1 ZINC000304247743 487483301 /nfs/dbraw/zinc/48/33/01/487483301.db2.gz PZGHVGQWROMNIH-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO CC#CCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669563838 487486104 /nfs/dbraw/zinc/48/61/04/487486104.db2.gz JRFBEBYCERWVCB-NSHDSACASA-N 1 0 223.320 0.841 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@H](O)C2CC2)C1=O ZINC000685002120 487489053 /nfs/dbraw/zinc/48/90/53/487489053.db2.gz VYEZGJPLFONHHT-NEPJUHHUSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)C[C@@H](O)C2CC2)C1=O ZINC000685002123 487489153 /nfs/dbraw/zinc/48/91/53/487489153.db2.gz VYEZGJPLFONHHT-VXGBXAGGSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)[C@@H](CO)C(=C)C)C1=O ZINC000685004382 487491640 /nfs/dbraw/zinc/49/16/40/487491640.db2.gz XOZFDNSIVDGDJG-NEPJUHHUSA-N 1 0 238.331 0.642 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)[C@H](CO)C(=C)C)C1=O ZINC000685004383 487491026 /nfs/dbraw/zinc/49/10/26/487491026.db2.gz XOZFDNSIVDGDJG-NWDGAFQWSA-N 1 0 238.331 0.642 20 30 BCEDRO C=CCOCCNC(=O)CC[NH2+]C1CC1 ZINC000308792538 487494262 /nfs/dbraw/zinc/49/42/62/487494262.db2.gz IWMBZUVQCGOHSZ-UHFFFAOYSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCOCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000308798631 487495429 /nfs/dbraw/zinc/49/54/29/487495429.db2.gz LOFFMMNRYXMFSI-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO COCC#CC[N@H+](C)CCn1cccn1 ZINC000677817206 487506733 /nfs/dbraw/zinc/50/67/33/487506733.db2.gz IWIVHOJLJMQSSF-UHFFFAOYSA-N 1 0 207.277 0.465 20 30 BCEDRO COCC#CC[N@H+]1CC[C@@H](COCCOC)C1 ZINC000677820771 487521071 /nfs/dbraw/zinc/52/10/71/487521071.db2.gz WDUBVNVFGAZUFA-CYBMUJFWSA-N 1 0 241.331 0.621 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CCC)CC[NH+](C)C ZINC000668300766 487636319 /nfs/dbraw/zinc/63/63/19/487636319.db2.gz WFQYIXLQHSCMFX-SNVBAGLBSA-N 1 0 214.309 0.334 20 30 BCEDRO C=C[C@H](C)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662611101 487671277 /nfs/dbraw/zinc/67/12/77/487671277.db2.gz HZDAAGXRLOCCNV-IUCAKERBSA-N 1 0 234.303 0.791 20 30 BCEDRO C=C[C@H](C)NC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662612430 487672244 /nfs/dbraw/zinc/67/22/44/487672244.db2.gz ZUXCKUNEJLMIFJ-VIFPVBQESA-N 1 0 249.318 0.507 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000655161010 488005907 /nfs/dbraw/zinc/00/59/07/488005907.db2.gz QVYLUTSLDIZYMR-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H](Cn2ccnn2)C1 ZINC000677819719 488135728 /nfs/dbraw/zinc/13/57/28/488135728.db2.gz NTYDUWHRWDAELV-CYBMUJFWSA-N 1 0 248.330 0.640 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000677820042 488136351 /nfs/dbraw/zinc/13/63/51/488136351.db2.gz VOAQILTVOXULLV-OLZOCXBDSA-N 1 0 223.316 0.995 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000677820041 488136381 /nfs/dbraw/zinc/13/63/81/488136381.db2.gz VOAQILTVOXULLV-CHWSQXEVSA-N 1 0 223.316 0.995 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000669268341 488141955 /nfs/dbraw/zinc/14/19/55/488141955.db2.gz PQKJVJMDTIPQDQ-FGNRJIRKSA-N 1 0 238.331 0.665 20 30 BCEDRO C=CCCC(=O)NC[C@H]1C[N@@H+]2CCN1CCC2 ZINC000670406917 488147921 /nfs/dbraw/zinc/14/79/21/488147921.db2.gz GNUZFRIOVJCNEN-LBPRGKRZSA-N 1 0 237.347 0.459 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@](O)(C(F)(F)F)C1 ZINC000683373075 488148116 /nfs/dbraw/zinc/14/81/16/488148116.db2.gz IZCHXNKOWPKLJX-RKDXNWHRSA-N 1 0 239.237 0.923 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000379835541 488153720 /nfs/dbraw/zinc/15/37/20/488153720.db2.gz ZRLLDWOPDZJETM-ZJUUUORDSA-N 1 0 212.293 0.303 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](CC)CC(=O)NCC ZINC000677951695 488164469 /nfs/dbraw/zinc/16/44/69/488164469.db2.gz QQXFXODPQYACKL-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1CCc2cncn2C1 ZINC000672150463 488172851 /nfs/dbraw/zinc/17/28/51/488172851.db2.gz BFAYKCBYKQXHEQ-MFKMUULPSA-N 1 0 249.314 0.641 20 30 BCEDRO C=CCOCCNC(=O)N1CCC([NH3+])CC1 ZINC000659608724 488176415 /nfs/dbraw/zinc/17/64/15/488176415.db2.gz BUTJTHHFDNDJJY-UHFFFAOYSA-N 1 0 227.308 0.322 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000668008320 488183250 /nfs/dbraw/zinc/18/32/50/488183250.db2.gz TYJQHXTTXDNEMP-QWRGUYRKSA-N 1 0 224.304 0.230 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000668008780 488183276 /nfs/dbraw/zinc/18/32/76/488183276.db2.gz CYKWGSSDQYIWAS-AAEUAGOBSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000668022427 488188448 /nfs/dbraw/zinc/18/84/48/488188448.db2.gz GKQFSIHZVCDKQH-JQWIXIFHSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCOCCNC(=O)NCCC[NH2+]C1CC1 ZINC000669555447 488216617 /nfs/dbraw/zinc/21/66/17/488216617.db2.gz ZBMRMLOEVFDASF-UHFFFAOYSA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCOCCNC(=O)N[C@H](C)CC[NH3+] ZINC000669555455 488216645 /nfs/dbraw/zinc/21/66/45/488216645.db2.gz ZPHXHMGFECNDSN-SECBINFHSA-N 1 0 215.297 0.226 20 30 BCEDRO C=CCOCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000669555379 488216704 /nfs/dbraw/zinc/21/67/04/488216704.db2.gz UHGJKNKHUGNXMD-SNVBAGLBSA-N 1 0 227.308 0.322 20 30 BCEDRO C[NH+](C)CCOc1ccc(C(=O)NO)cn1 ZINC000671996961 488234158 /nfs/dbraw/zinc/23/41/58/488234158.db2.gz ZKDIYZDLAKLPGL-UHFFFAOYSA-N 1 0 225.248 0.141 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000678623523 488272849 /nfs/dbraw/zinc/27/28/49/488272849.db2.gz JCMDYVQGBFECOW-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C(C)[C@H](CO)N(C)C[C@H](O)C(F)(F)F ZINC000678725597 488278953 /nfs/dbraw/zinc/27/89/53/488278953.db2.gz KUVFONTVFKWUIN-YUMQZZPRSA-N 1 0 227.226 0.778 20 30 BCEDRO C=C(C)[C@@H](CO)N(C)C[C@@H](O)C(F)(F)F ZINC000678725590 488278975 /nfs/dbraw/zinc/27/89/75/488278975.db2.gz KUVFONTVFKWUIN-HTQZYQBOSA-N 1 0 227.226 0.778 20 30 BCEDRO C=CCOCCNC(=O)NCC[NH+](C)C ZINC000679630567 488360704 /nfs/dbraw/zinc/36/07/04/488360704.db2.gz WHLTYKOATPKMDQ-UHFFFAOYSA-N 1 0 215.297 0.050 20 30 BCEDRO C[C@H]1C[C@@H](C(=O)Nc2n[nH]cc2C#N)CC[N@@H+]1C ZINC000601639347 490098280 /nfs/dbraw/zinc/09/82/80/490098280.db2.gz OQCUEJOZTRGVKB-IUCAKERBSA-N 1 0 247.302 0.950 20 30 BCEDRO C=CC[C@]1(C(=O)N(C)Cc2nc[nH]n2)CCC[NH2+]1 ZINC000662736601 490145629 /nfs/dbraw/zinc/14/56/29/490145629.db2.gz HTLOBARYUWXNBQ-GFCCVEGCSA-N 1 0 249.318 0.461 20 30 BCEDRO COC(=O)[C@@](C)(O)C[NH+]1CCC(C)(C#N)CC1 ZINC000408183918 490165109 /nfs/dbraw/zinc/16/51/09/490165109.db2.gz VBAYMDXNTSMZBP-LBPRGKRZSA-N 1 0 240.303 0.536 20 30 BCEDRO C=CCCOCC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000663007638 490282051 /nfs/dbraw/zinc/28/20/51/490282051.db2.gz CBIPDYRYDIGYFX-NSHDSACASA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000659561666 490355118 /nfs/dbraw/zinc/35/51/18/490355118.db2.gz QOTQFRYSDSKXDC-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCCNC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000659563156 490356576 /nfs/dbraw/zinc/35/65/76/490356576.db2.gz PZIIRMOPWCSVMK-VHSXEESVSA-N 1 0 227.308 0.320 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000668669619 490496480 /nfs/dbraw/zinc/49/64/80/490496480.db2.gz AUYJQJDOWYMWKA-GFCCVEGCSA-N 1 0 240.347 0.866 20 30 BCEDRO C#C[C@H]1COCCN1CC[C@H]1CCC[N@H+]1C ZINC000491662364 491080063 /nfs/dbraw/zinc/08/00/63/491080063.db2.gz QSBKICNPSLUHLT-QWHCGFSZSA-N 1 0 222.332 0.805 20 30 BCEDRO Cc1nc(NC[C@@]2(O)CC[N@@H+](C)C2)ccc1C#N ZINC000487757981 491083506 /nfs/dbraw/zinc/08/35/06/491083506.db2.gz FXRJKSFMZKGION-ZDUSSCGKSA-N 1 0 246.314 0.740 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@@H](O)[C@H]1C ZINC000650186237 491097865 /nfs/dbraw/zinc/09/78/65/491097865.db2.gz FEGUBICWDBFKMI-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCCn1cc(CN2CC[NH2+][C@H](C)C2)nn1 ZINC000655937919 491098816 /nfs/dbraw/zinc/09/88/16/491098816.db2.gz IJZPIIDOUUXIQZ-LLVKDONJSA-N 1 0 235.335 0.648 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890880728 582584816 /nfs/dbraw/zinc/58/48/16/582584816.db2.gz FJYQYMNOGUNNQB-JTQLQIEISA-N 1 0 228.336 0.580 20 30 BCEDRO C[C@@H](CNc1cncc(C#N)n1)C[NH+](C)C ZINC000401325875 534095846 /nfs/dbraw/zinc/09/58/46/534095846.db2.gz KQFXCXKWEKOPHG-VIFPVBQESA-N 1 0 219.292 0.958 20 30 BCEDRO C#CCCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891848699 582729945 /nfs/dbraw/zinc/72/99/45/582729945.db2.gz PSHSKWFXFUBBDE-AAEUAGOBSA-N 1 0 235.331 0.984 20 30 BCEDRO C=CCONC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000891943793 582742329 /nfs/dbraw/zinc/74/23/29/582742329.db2.gz LMLXCNKUCDDACD-VIFPVBQESA-N 1 0 213.281 0.497 20 30 BCEDRO C=CC1CCN(C(=O)[C@@H]([NH3+])COC)CC1 ZINC000261585717 534525547 /nfs/dbraw/zinc/52/55/47/534525547.db2.gz QOPPMFKTDMZGTQ-JTQLQIEISA-N 1 0 212.293 0.385 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000356856893 534529985 /nfs/dbraw/zinc/52/99/85/534529985.db2.gz DYLJRKKOOBCBRH-NWDGAFQWSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cnc2nc(C)cc(C)n12 ZINC000352465727 534542715 /nfs/dbraw/zinc/54/27/15/534542715.db2.gz NREZMPBSSZTEMU-NSHDSACASA-N 1 0 246.314 0.983 20 30 BCEDRO C=CCC(F)(F)C(=O)NCC[NH+](C)C ZINC000292830701 534573418 /nfs/dbraw/zinc/57/34/18/534573418.db2.gz YUGKGPJYYSKWKU-UHFFFAOYSA-N 1 0 206.236 0.876 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])N1CCC1 ZINC000263085919 534582684 /nfs/dbraw/zinc/58/26/84/534582684.db2.gz SPXZHGDXCPQBIU-UWVGGRQHSA-N 1 0 209.293 0.598 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000333718315 534599054 /nfs/dbraw/zinc/59/90/54/534599054.db2.gz GHBKRWYNFOIPOU-MXWKQRLJSA-N 1 0 239.319 0.463 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333741136 534602796 /nfs/dbraw/zinc/60/27/96/534602796.db2.gz IUYWSRWRTUVVHP-MXWKQRLJSA-N 1 0 239.319 0.381 20 30 BCEDRO C=CCCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000352198597 534606598 /nfs/dbraw/zinc/60/65/98/534606598.db2.gz XITXWOVYEUMZLY-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCCC(=O)N1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000261559259 534608199 /nfs/dbraw/zinc/60/81/99/534608199.db2.gz SZTHQAHBCQFNMY-GFCCVEGCSA-N 1 0 237.347 0.459 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000104183654 534661622 /nfs/dbraw/zinc/66/16/22/534661622.db2.gz VKYUBNBIKBEIRH-UHFFFAOYSA-N 1 0 249.318 0.723 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCC(=O)NCC1CC1 ZINC000262244468 534662250 /nfs/dbraw/zinc/66/22/50/534662250.db2.gz AVBWTUFGMJKSHP-UHFFFAOYSA-N 1 0 226.324 0.215 20 30 BCEDRO CC#CC[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000373159543 534707799 /nfs/dbraw/zinc/70/77/99/534707799.db2.gz NNJSIMAAJCXVLD-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO CC#CCN1CCC([N@H+](C)CCCO)CC1 ZINC000120746952 534709418 /nfs/dbraw/zinc/70/94/18/534709418.db2.gz FLNXBXNUBZFUSP-UHFFFAOYSA-N 1 0 224.348 0.788 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335298373 534713560 /nfs/dbraw/zinc/71/35/60/534713560.db2.gz DQUWWLAFJBAZGJ-MRVPVSSYSA-N 1 0 231.246 0.306 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CCC[NH2+][C@H]1C ZINC000334957821 534713874 /nfs/dbraw/zinc/71/38/74/534713874.db2.gz SKLBEAOZFCQLAD-VHSXEESVSA-N 1 0 209.293 0.449 20 30 BCEDRO C=CCCC[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366331679 534719957 /nfs/dbraw/zinc/71/99/57/534719957.db2.gz OURLRZPULKWLEK-NXEZZACHSA-N 1 0 222.288 0.547 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H](C[NH3+])C1 ZINC000178906855 534784795 /nfs/dbraw/zinc/78/47/95/534784795.db2.gz JXZXZBXLTPSLKK-SECBINFHSA-N 1 0 218.322 0.173 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000359880577 534805659 /nfs/dbraw/zinc/80/56/59/534805659.db2.gz VTYYQGLNYIVDHW-QWHCGFSZSA-N 1 0 243.347 0.691 20 30 BCEDRO C=CC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000121329418 534816862 /nfs/dbraw/zinc/81/68/62/534816862.db2.gz DRSHTFUVEMTCDH-MRVPVSSYSA-N 1 0 225.292 0.481 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@](C)(O)c1ccccc1 ZINC000267388779 534843859 /nfs/dbraw/zinc/84/38/59/534843859.db2.gz CLFCLCQNEWFHOX-CYBMUJFWSA-N 1 0 233.315 0.984 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ncccc1N(C)C ZINC000290720470 534843647 /nfs/dbraw/zinc/84/36/47/534843647.db2.gz UZJUNBZHDHRSTN-UHFFFAOYSA-N 1 0 233.319 0.738 20 30 BCEDRO C=CCNC(=[NH2+])NCC1(SC)CCOCC1 ZINC000262699992 534845244 /nfs/dbraw/zinc/84/52/44/534845244.db2.gz YQAZIOMFNDLIJM-UHFFFAOYSA-N 1 0 243.376 0.989 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000366472509 534854774 /nfs/dbraw/zinc/85/47/74/534854774.db2.gz WBCREKMTUWCLAB-CMPLNLGQSA-N 1 0 225.288 0.684 20 30 BCEDRO C=CCNC(=O)CN1[C@@H](C)C[NH+](CC)C[C@@H]1C ZINC000347710904 534856881 /nfs/dbraw/zinc/85/68/81/534856881.db2.gz XWDXSJBZPBWKKZ-RYUDHWBXSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCOCC(=O)NCC[N@@H+](C)C1CC1 ZINC000354880292 534869414 /nfs/dbraw/zinc/86/94/14/534869414.db2.gz CYAXQJVSSCMVMY-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCOCC(=O)NCC[N@@H+](C)C(C)C ZINC000355641567 534869522 /nfs/dbraw/zinc/86/95/22/534869522.db2.gz HKQZPLGNKXPQHM-UHFFFAOYSA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCOCC(=O)NCCC[NH+](C)C ZINC000356523592 534869807 /nfs/dbraw/zinc/86/98/07/534869807.db2.gz UTUWHBFXCAWVGK-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000261568137 534870553 /nfs/dbraw/zinc/87/05/53/534870553.db2.gz FJKIFGFBQHYLMK-UWVGGRQHSA-N 1 0 212.293 0.575 20 30 BCEDRO C=CCOCCC[N@@H+](C)[C@H]1CCNC1=O ZINC000348046252 534874477 /nfs/dbraw/zinc/87/44/77/534874477.db2.gz IRSHHVOXOQXJHB-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCOCCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C ZINC000309762037 534875305 /nfs/dbraw/zinc/87/53/05/534875305.db2.gz IWLJBYWZVISXMI-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C#N ZINC000340435295 534899573 /nfs/dbraw/zinc/89/95/73/534899573.db2.gz QBOCHYVZTLMPQZ-UWVGGRQHSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487698129 526295370 /nfs/dbraw/zinc/29/53/70/526295370.db2.gz STUUVRSXNIGCDA-NEPJUHHUSA-N 1 0 240.347 0.845 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000401051762 526615661 /nfs/dbraw/zinc/61/56/61/526615661.db2.gz PRQARRVHXMBYAV-GARJFASQSA-N 1 0 223.320 0.860 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000401051765 526616229 /nfs/dbraw/zinc/61/62/29/526616229.db2.gz PRQARRVHXMBYAV-GMTAPVOTSA-N 1 0 223.320 0.860 20 30 BCEDRO C#CCC[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000494135162 526729570 /nfs/dbraw/zinc/72/95/70/526729570.db2.gz SDKMEBZDTFRIQR-SNVBAGLBSA-N 1 0 208.261 0.536 20 30 BCEDRO C#CCN(C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000491708596 526789492 /nfs/dbraw/zinc/78/94/92/526789492.db2.gz QGCPCBHINDMJKM-SNVBAGLBSA-N 1 0 226.345 0.515 20 30 BCEDRO C#CCN(C)C(=O)NCC([NH3+])(CC)CC ZINC000491475464 526791555 /nfs/dbraw/zinc/79/15/55/526791555.db2.gz XAPDJEHDJPNGQC-UHFFFAOYSA-N 1 0 211.309 0.779 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@](C)(O)C(C)C ZINC000491712093 526822165 /nfs/dbraw/zinc/82/21/65/526822165.db2.gz WMRBIUADQZLAGK-CYBMUJFWSA-N 1 0 240.347 0.465 20 30 BCEDRO C=C(CC)CN1CC[NH+](C[C@H](C)O)CC1 ZINC000494465130 526852437 /nfs/dbraw/zinc/85/24/37/526852437.db2.gz MOLPDJPSWOEKAG-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)CCOCC)C1CC1 ZINC000491623102 526902937 /nfs/dbraw/zinc/90/29/37/526902937.db2.gz HWZGEEDDHNRFNO-GFCCVEGCSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000491768889 526858750 /nfs/dbraw/zinc/85/87/50/526858750.db2.gz JVAQXIYHQOCTRZ-LBPRGKRZSA-N 1 0 233.315 0.407 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@H](CO)C(C)(C)C ZINC000491066057 526974167 /nfs/dbraw/zinc/97/41/67/526974167.db2.gz BGIJDBOXHIFTNY-LLVKDONJSA-N 1 0 240.347 0.465 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C[C@@H](C)O)C(C)C ZINC000491066054 526975169 /nfs/dbraw/zinc/97/51/69/526975169.db2.gz BECJXPMJSYUTOR-LLVKDONJSA-N 1 0 226.320 0.217 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C[C@H](C)O)C(C)C ZINC000491066055 526976188 /nfs/dbraw/zinc/97/61/88/526976188.db2.gz BECJXPMJSYUTOR-NSHDSACASA-N 1 0 226.320 0.217 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC2(CCO2)CC1 ZINC000491166965 526976690 /nfs/dbraw/zinc/97/66/90/526976690.db2.gz VKINXFUWWRZWDG-UHFFFAOYSA-N 1 0 236.315 0.381 20 30 BCEDRO C#CCNC(=O)CC[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000491067940 526980771 /nfs/dbraw/zinc/98/07/71/526980771.db2.gz LSTWCQQKKOTDLU-QWRGUYRKSA-N 1 0 238.331 0.360 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC(C)(F)F ZINC000491631967 526981633 /nfs/dbraw/zinc/98/16/33/526981633.db2.gz QSZZDEHXZBGZEH-UHFFFAOYSA-N 1 0 218.247 0.761 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCCn1ccnc1 ZINC000491712492 526981812 /nfs/dbraw/zinc/98/18/12/526981812.db2.gz YOJNYYVQGIUWMG-UHFFFAOYSA-N 1 0 248.330 0.392 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCCSC1 ZINC000491738451 526982324 /nfs/dbraw/zinc/98/23/24/526982324.db2.gz IJFGYFOLTLPLDA-NSHDSACASA-N 1 0 240.372 0.859 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccnc(C)c1 ZINC000491793178 526985195 /nfs/dbraw/zinc/98/51/95/526985195.db2.gz JSDZQWLGGVMPFX-UHFFFAOYSA-N 1 0 231.299 0.619 20 30 BCEDRO C#CCNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000491304178 527009870 /nfs/dbraw/zinc/00/98/70/527009870.db2.gz DQKOQKHFFQTPIU-UWVGGRQHSA-N 1 0 209.293 0.246 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000491789775 527014698 /nfs/dbraw/zinc/01/46/98/527014698.db2.gz ZGLUBNKMZQYTMO-GMTAPVOTSA-N 1 0 221.304 0.307 20 30 BCEDRO C#CC[NH2+][C@](C)(CO)c1cccc(O)c1 ZINC000309020351 527061113 /nfs/dbraw/zinc/06/11/13/527061113.db2.gz WPWVMDCYEJTFBX-GFCCVEGCSA-N 1 0 205.257 0.823 20 30 BCEDRO C#CC[NH2+][C@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000309072173 527061696 /nfs/dbraw/zinc/06/16/96/527061696.db2.gz FIMMXKQIXDFCGP-VHSXEESVSA-N 1 0 230.333 0.070 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494733651 527199351 /nfs/dbraw/zinc/19/93/51/527199351.db2.gz CCMGVJKFGAWFHF-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C#C[C@@H](CC)[NH2+][C@H]1CCN(CCOC)C1 ZINC000308965657 527246467 /nfs/dbraw/zinc/24/64/67/527246467.db2.gz VLGZZERVQUGYHK-RYUDHWBXSA-N 1 0 210.321 0.709 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1ccccc1 ZINC000491415129 527260883 /nfs/dbraw/zinc/26/08/83/527260883.db2.gz GPMUUKZCRPIZIR-RYUDHWBXSA-N 1 0 205.257 0.304 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000491535650 527261153 /nfs/dbraw/zinc/26/11/53/527261153.db2.gz DRAJZOFAPVCWMC-KBPBESRZSA-N 1 0 233.311 0.564 20 30 BCEDRO C#C[C@@H](NC(=O)N1CCC[N@H+](C)CC1)C(C)C ZINC000491650873 527270856 /nfs/dbraw/zinc/27/08/56/527270856.db2.gz CJTPRTQJIVKLIR-GFCCVEGCSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@@H](NC(=O)N1CC[NH2+][C@H](C)C1)C(C)C ZINC000491667246 527272682 /nfs/dbraw/zinc/27/26/82/527272682.db2.gz HYPSTIYXJNKNCL-GHMZBOCLSA-N 1 0 223.320 0.648 20 30 BCEDRO C#C[C@@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000491440634 527273409 /nfs/dbraw/zinc/27/34/09/527273409.db2.gz QCDQXKSBWHJHRE-GARJFASQSA-N 1 0 223.320 0.775 20 30 BCEDRO C#C[C@@H](NC(=O)N1CC[C@H]([NH2+]C)C1)C(C)C ZINC000491630056 527274160 /nfs/dbraw/zinc/27/41/60/527274160.db2.gz WVOZXACIMSYVSK-WDEREUQCSA-N 1 0 223.320 0.648 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000491666054 527323060 /nfs/dbraw/zinc/32/30/60/527323060.db2.gz LNVBFTAUJMUSQQ-DTWKUNHWSA-N 1 0 245.273 0.647 20 30 BCEDRO C#C[C@H](C)N(C)C(=S)NC1CC[NH+](C)CC1 ZINC000491670991 527330857 /nfs/dbraw/zinc/33/08/57/527330857.db2.gz RKODUZJNIKJCLN-JTQLQIEISA-N 1 0 239.388 0.909 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@H]([NH3+])[C@@H]1C)C(C)C ZINC000491440633 527388668 /nfs/dbraw/zinc/38/86/68/527388668.db2.gz QCDQXKSBWHJHRE-DCAQKATOSA-N 1 0 223.320 0.775 20 30 BCEDRO C#C[C@H](NC(=O)NCC[C@H]1CC[NH2+]C1)C(C)C ZINC000491440602 527392124 /nfs/dbraw/zinc/39/21/24/527392124.db2.gz PUCGZCJENQSUIV-NEPJUHHUSA-N 1 0 237.347 0.943 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H](C)[NH2+]CC)C(C)C ZINC000491642335 527393216 /nfs/dbraw/zinc/39/32/16/527393216.db2.gz WRRCXDCQBZNWLG-MNOVXSKESA-N 1 0 225.336 0.941 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)Cn1cccn1)C(C)C ZINC000300946999 527410045 /nfs/dbraw/zinc/41/00/45/527410045.db2.gz PHOFPOFJAPXXST-RYUDHWBXSA-N 1 0 221.304 0.491 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@H]([NH3+])CC ZINC000418737522 527470556 /nfs/dbraw/zinc/47/05/56/527470556.db2.gz VSPSISTUVGAYGZ-NXEZZACHSA-N 1 0 229.324 0.350 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892551911 582911635 /nfs/dbraw/zinc/91/16/35/582911635.db2.gz PPCUIJDLEGFNOT-AOOOYVTPSA-N 1 0 238.335 0.915 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1snnc1C ZINC000262697890 536520655 /nfs/dbraw/zinc/52/06/55/536520655.db2.gz IUVMEZMCRILELD-ZCFIWIBFSA-N 1 0 243.336 0.286 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCS1 ZINC000262427114 536520931 /nfs/dbraw/zinc/52/09/31/536520931.db2.gz RTZBYLLPYVZZIE-RKDXNWHRSA-N 1 0 231.365 0.821 20 30 BCEDRO N#C[C@@]1(F)CCN(C(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892573143 582917879 /nfs/dbraw/zinc/91/78/79/582917879.db2.gz WVFFLHVTTCEOBT-QXEWZRGKSA-N 1 0 240.282 0.371 20 30 BCEDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000335606871 534969557 /nfs/dbraw/zinc/96/95/57/534969557.db2.gz ZWBZCODOFPOEFB-VIFPVBQESA-N 1 0 221.304 0.937 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)NCC(C)(C)C#N ZINC000359626809 534997350 /nfs/dbraw/zinc/99/73/50/534997350.db2.gz BSJUKKJLPTZBGS-UHFFFAOYSA-N 1 0 211.309 0.993 20 30 BCEDRO CC(C)(C)[C@@H]([NH2+]CCOCCC#N)C(N)=O ZINC000339034348 535055381 /nfs/dbraw/zinc/05/53/81/535055381.db2.gz FIHMXAMXAPWLRJ-VIFPVBQESA-N 1 0 227.308 0.406 20 30 BCEDRO CC1(CNC(=[NH2+])Nc2ccccn2)COC1 ZINC000178574963 535098202 /nfs/dbraw/zinc/09/82/02/535098202.db2.gz ODGXNZJDGALMMH-UHFFFAOYSA-N 1 0 220.276 0.845 20 30 BCEDRO CC(C)NC(=[NH2+])NCC1([S@](C)=O)CCC1 ZINC000262785956 535125959 /nfs/dbraw/zinc/12/59/59/535125959.db2.gz JRFORLDCLFFCQE-HNNXBMFYSA-N 1 0 231.365 0.600 20 30 BCEDRO CC[NH+]=C(NCCn1ccnc1)N[C@H]1C[C@H]1C ZINC000262788021 535262155 /nfs/dbraw/zinc/26/21/55/535262155.db2.gz JYVVDMPYZKMNFD-MNOVXSKESA-N 1 0 235.335 0.847 20 30 BCEDRO CC[C@@H](C(=O)N(CC#N)CC#N)[NH+](CC)CC ZINC000359791129 535400044 /nfs/dbraw/zinc/40/00/44/535400044.db2.gz ILQKRIXMMGSVHL-NSHDSACASA-N 1 0 236.319 0.983 20 30 BCEDRO CCNC(=O)c1ccc(CNC(N)=[NH2+])cc1 ZINC000264127039 535418385 /nfs/dbraw/zinc/41/83/85/535418385.db2.gz SODURYIHZONILE-UHFFFAOYSA-N 1 0 220.276 0.210 20 30 BCEDRO CCNC(=[NH2+])NCc1nnc2n1CCCCC2 ZINC000264139990 535423972 /nfs/dbraw/zinc/42/39/72/535423972.db2.gz WARQLULBJVECHF-UHFFFAOYSA-N 1 0 236.323 0.429 20 30 BCEDRO CCNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000261724377 535425037 /nfs/dbraw/zinc/42/50/37/535425037.db2.gz XGYFKTLVUWIGRQ-IVZWLZJFSA-N 1 0 223.320 0.868 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)CSCC#N ZINC000041761511 535559289 /nfs/dbraw/zinc/55/92/89/535559289.db2.gz JRIUIMDYKPOARI-SNVBAGLBSA-N 1 0 241.360 0.844 20 30 BCEDRO CC[NH+](CC)[C@@H](C)CNS(=O)(=O)[C@H](C)C#N ZINC000352423837 535651541 /nfs/dbraw/zinc/65/15/41/535651541.db2.gz ZJMZSFYAFFZUJJ-VHSXEESVSA-N 1 0 247.364 0.548 20 30 BCEDRO CCN(CC#N)C(=O)C1CC[NH+](C)CC1 ZINC000360090741 535767069 /nfs/dbraw/zinc/76/70/69/535767069.db2.gz QXOMFFOFBHDMRD-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO CCNC(NCCc1noc(CC)n1)=[NH+]CC ZINC000267474177 535787027 /nfs/dbraw/zinc/78/70/27/535787027.db2.gz YXESZGZEKFRROG-UHFFFAOYSA-N 1 0 239.323 0.750 20 30 BCEDRO C[NH+](C)CCSCC(=O)NC1(C#N)CCC1 ZINC000332072566 535919464 /nfs/dbraw/zinc/91/94/64/535919464.db2.gz VJQXKNUTWJHPGC-UHFFFAOYSA-N 1 0 241.360 0.844 20 30 BCEDRO CC[C@H](C)NC(NCc1nccn1C)=[NH+]C ZINC000263280332 536146068 /nfs/dbraw/zinc/14/60/68/536146068.db2.gz ZZZRUPNRZGWRPR-VIFPVBQESA-N 1 0 223.324 0.884 20 30 BCEDRO CC[C@](C)(C#N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000355552734 536183648 /nfs/dbraw/zinc/18/36/48/536183648.db2.gz FORCIFTZHFIXHR-NTZNESFSSA-N 1 0 235.331 0.946 20 30 BCEDRO C[NH+]=C(NCC[S@@](=O)C(C)(C)C)NC1CC1 ZINC000117106143 536304258 /nfs/dbraw/zinc/30/42/58/536304258.db2.gz TWZFEJJBVPJXSH-INIZCTEOSA-N 1 0 245.392 0.861 20 30 BCEDRO C[N@H+](CCCCC#N)CCN1CCOCC1 ZINC000112407207 536328789 /nfs/dbraw/zinc/32/87/89/536328789.db2.gz COGFIRVZXYDOGK-UHFFFAOYSA-N 1 0 225.336 0.944 20 30 BCEDRO C[NH+]1CCC(NC(=O)NCCC#N)CC1 ZINC000408367928 536341466 /nfs/dbraw/zinc/34/14/66/536341466.db2.gz ZSPXGKQDQSLWBV-UHFFFAOYSA-N 1 0 210.281 0.293 20 30 BCEDRO CN1CCC[NH+]=C1NCCOC(F)(F)F ZINC000263064843 536361545 /nfs/dbraw/zinc/36/15/45/536361545.db2.gz FZAYUXAQQGMTJI-UHFFFAOYSA-N 1 0 225.214 0.804 20 30 BCEDRO C[N@@H+]1CCC[C@@H]2CN(C(=O)CC#N)CC[C@@H]21 ZINC000167545179 536376396 /nfs/dbraw/zinc/37/63/96/536376396.db2.gz AIPOBPUMMZHAGT-MNOVXSKESA-N 1 0 221.304 0.843 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N(CCC#N)CCC#N ZINC000264976804 536387858 /nfs/dbraw/zinc/38/78/58/536387858.db2.gz IOZKJHZWLIVCTM-NSHDSACASA-N 1 0 234.303 0.737 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N(CC#N)C1CC1 ZINC000336617493 536387916 /nfs/dbraw/zinc/38/79/16/536387916.db2.gz HMHNOMGSWUUTGR-JTQLQIEISA-N 1 0 207.277 0.595 20 30 BCEDRO CN1CCC[C@]2(CC[N@H+](CCC#N)C2)C1=O ZINC000372572019 536395437 /nfs/dbraw/zinc/39/54/37/536395437.db2.gz OYHFDLLRSDBWIU-GFCCVEGCSA-N 1 0 221.304 0.844 20 30 BCEDRO COC1(CCNC(=[NH2+])N2CCOCC2)CCC1 ZINC000263170135 536606925 /nfs/dbraw/zinc/60/69/25/536606925.db2.gz RWLHARCBUNBQKH-UHFFFAOYSA-N 1 0 241.335 0.593 20 30 BCEDRO COC[C@@H](O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352441858 536730191 /nfs/dbraw/zinc/73/01/91/536730191.db2.gz FKTITMZHLJLWST-VIFPVBQESA-N 1 0 216.256 0.321 20 30 BCEDRO COC[C@@H](O)C[NH+]1CCC(C#N)(COC)CC1 ZINC000341973406 536730318 /nfs/dbraw/zinc/73/03/18/536730318.db2.gz GIHURLCLWXKRJV-NSHDSACASA-N 1 0 242.319 0.246 20 30 BCEDRO COCC1(C#N)CCN(C(=O)C[NH+](C)C)CC1 ZINC000357091969 536799282 /nfs/dbraw/zinc/79/92/82/536799282.db2.gz GNLUYBRVYRHALB-UHFFFAOYSA-N 1 0 239.319 0.327 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H]1CCC(C)(C)O1 ZINC000186023322 536799753 /nfs/dbraw/zinc/79/97/53/536799753.db2.gz SOSOPPZPPBQVMC-SECBINFHSA-N 1 0 229.324 0.495 20 30 BCEDRO COCCNC(=[NH2+])NCc1ncccc1C ZINC000267449590 536853224 /nfs/dbraw/zinc/85/32/24/536853224.db2.gz QWYPRYOUIQMWEX-UHFFFAOYSA-N 1 0 222.292 0.441 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1C[C@@H](OC)C1(C)C ZINC000262797037 536853562 /nfs/dbraw/zinc/85/35/62/536853562.db2.gz LXLFCQVAZRNEOD-RKDXNWHRSA-N 1 0 229.324 0.351 20 30 BCEDRO COCCNC(=[NH2+])N[C@H]1C[C@H](OC)C1(C)C ZINC000262797035 536853661 /nfs/dbraw/zinc/85/36/61/536853661.db2.gz LXLFCQVAZRNEOD-IUCAKERBSA-N 1 0 229.324 0.351 20 30 BCEDRO COCCN1CC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000349386501 536879860 /nfs/dbraw/zinc/87/98/60/536879860.db2.gz ZRMMRZBSLHBAOL-AGIUHOORSA-N 1 0 237.347 0.989 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)CC[NH+](C)C)C(C)C ZINC000297984698 566269268 /nfs/dbraw/zinc/26/92/68/566269268.db2.gz MVTOKCJFFRAHSA-LLVKDONJSA-N 1 0 225.336 0.847 20 30 BCEDRO N#Cc1cncc(N2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000401526460 566335308 /nfs/dbraw/zinc/33/53/08/566335308.db2.gz UBSGTCUJRFLJRW-RKDXNWHRSA-N 1 0 215.260 0.004 20 30 BCEDRO N#Cc1cncc(N2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000401526457 566335314 /nfs/dbraw/zinc/33/53/14/566335314.db2.gz UBSGTCUJRFLJRW-IUCAKERBSA-N 1 0 215.260 0.004 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)c1ccccn1 ZINC000853111537 583028570 /nfs/dbraw/zinc/02/85/70/583028570.db2.gz XLIJQQRDEQVDGY-YPMHNXCESA-N 1 0 236.315 0.889 20 30 BCEDRO CN1C[C@H]([NH2+]C[C@H](C#N)CCC#N)CCC1=O ZINC000574962375 566326139 /nfs/dbraw/zinc/32/61/39/566326139.db2.gz QVUDTAKRDNAWQU-WDEREUQCSA-N 1 0 234.303 0.640 20 30 BCEDRO C#C[C@@H](CO)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000854770289 583092047 /nfs/dbraw/zinc/09/20/47/583092047.db2.gz FCPGUVFXMDNJTM-LBPRGKRZSA-N 1 0 238.331 0.217 20 30 BCEDRO O=C(C#CC1CC1)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877270893 583306363 /nfs/dbraw/zinc/30/63/63/583306363.db2.gz ABCPTUYTVHDJMN-NWDGAFQWSA-N 1 0 218.300 0.753 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCCc2n[nH]cc2C1 ZINC000852977910 588714866 /nfs/dbraw/zinc/71/48/66/588714866.db2.gz FMXZKCDZSGGTFU-UHFFFAOYSA-N 1 0 248.330 0.802 20 30 BCEDRO CNC(NC[C@H](O)[C@@H](C)c1ccccc1)=[NH+]C ZINC000853012781 588715474 /nfs/dbraw/zinc/71/54/74/588715474.db2.gz GCALCQQOHACZLM-JQWIXIFHSA-N 1 0 235.331 0.946 20 30 BCEDRO C[NH+](C)CCNC(=S)N1CC[C@](C)(C#N)C1 ZINC000853039360 588717411 /nfs/dbraw/zinc/71/74/11/588717411.db2.gz FQSNDPUAEDRQRW-LLVKDONJSA-N 1 0 240.376 0.658 20 30 BCEDRO C#Cc1cccnc1NCCN1CC[NH+](C)CC1 ZINC000853106846 588720773 /nfs/dbraw/zinc/72/07/73/588720773.db2.gz JMVBUIKVAGYDGO-UHFFFAOYSA-N 1 0 244.342 0.722 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@H](O)c1ccccn1 ZINC000853106486 588720813 /nfs/dbraw/zinc/72/08/13/588720813.db2.gz ALSVNBDIVHOKQA-AWEZNQCLSA-N 1 0 247.342 0.660 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)CSC)C1CCOCC1 ZINC000853114977 588721404 /nfs/dbraw/zinc/72/14/04/588721404.db2.gz BYGNYXLMPQYLTM-NWDGAFQWSA-N 1 0 243.372 0.728 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)CC)C1CCOCC1 ZINC000853116038 588721582 /nfs/dbraw/zinc/72/15/82/588721582.db2.gz PDDGYODVONZTFN-VXGBXAGGSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1=CCCC1 ZINC000853116046 588721615 /nfs/dbraw/zinc/72/16/15/588721615.db2.gz PGQATGADLRMHJP-UHFFFAOYSA-N 1 0 206.289 0.826 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCOC1(C)C ZINC000853124311 588721678 /nfs/dbraw/zinc/72/16/78/588721678.db2.gz FOSKJVLMVSFEFY-LLVKDONJSA-N 1 0 238.331 0.531 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cc3n(n2)CCC3)N1 ZINC000853330156 588733566 /nfs/dbraw/zinc/73/35/66/588733566.db2.gz JZLXPRPUKJKVGE-MRVPVSSYSA-N 1 0 232.291 0.101 20 30 BCEDRO C[C@@H](O)CNN=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853351030 588736772 /nfs/dbraw/zinc/73/67/72/588736772.db2.gz SJENRCXKUZWGLR-SNVBAGLBSA-N 1 0 245.286 0.572 20 30 BCEDRO C[C@H](O)CNN=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853351029 588736933 /nfs/dbraw/zinc/73/69/33/588736933.db2.gz SJENRCXKUZWGLR-JTQLQIEISA-N 1 0 245.286 0.572 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccncc1F ZINC000853402008 588741079 /nfs/dbraw/zinc/74/10/79/588741079.db2.gz KZBAQZDAMNXNCJ-MRVPVSSYSA-N 1 0 222.267 0.992 20 30 BCEDRO C#Cc1cccnc1N1CC[N@H+](CCO)[C@@H](C)C1 ZINC000853486403 588745494 /nfs/dbraw/zinc/74/54/94/588745494.db2.gz WHRLEAWQNGANGF-LBPRGKRZSA-N 1 0 245.326 0.566 20 30 BCEDRO CN(CC1C[NH+](C)C1)Cn1cccc(C#N)c1=O ZINC000853553562 588748693 /nfs/dbraw/zinc/74/86/93/588748693.db2.gz QAMAWACRHMINSW-UHFFFAOYSA-N 1 0 246.314 0.171 20 30 BCEDRO C#Cc1cccnc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000853716786 588759067 /nfs/dbraw/zinc/75/90/67/588759067.db2.gz XTTPWKTYHMBAEO-QWHCGFSZSA-N 1 0 243.310 0.318 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000854074169 588773345 /nfs/dbraw/zinc/77/33/45/588773345.db2.gz MWOBDTIKPGLVBR-LBPRGKRZSA-N 1 0 235.331 0.959 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NCC[NH+]1CCC1 ZINC000854074914 588773561 /nfs/dbraw/zinc/77/35/61/588773561.db2.gz WBYXQSXAZWVWLI-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C=CCONC(=O)NCC[C@@H](C)[NH+](C)C ZINC000854117368 588774874 /nfs/dbraw/zinc/77/48/74/588774874.db2.gz DGOYHKSDTXCJDL-SECBINFHSA-N 1 0 215.297 0.743 20 30 BCEDRO C=CCONC(=O)N[C@@H](C)c1nccn1C ZINC000854117776 588775133 /nfs/dbraw/zinc/77/51/33/588775133.db2.gz IVSPBQMVEWIWJY-QMMMGPOBSA-N 1 0 224.264 0.898 20 30 BCEDRO C=C(CO)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000854498089 588789531 /nfs/dbraw/zinc/78/95/31/588789531.db2.gz KMIAFSOHNXSJME-UHFFFAOYSA-N 1 0 238.331 0.479 20 30 BCEDRO C#CC[C@H](CO)NC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000854545420 588792825 /nfs/dbraw/zinc/79/28/25/588792825.db2.gz IEKRATDHJQFKIU-IJLUTSLNSA-N 1 0 238.331 0.360 20 30 BCEDRO C#CC[C@H](CO)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000854545421 588792851 /nfs/dbraw/zinc/79/28/51/588792851.db2.gz IEKRATDHJQFKIU-SDDRHHMPSA-N 1 0 238.331 0.360 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000854547501 588793095 /nfs/dbraw/zinc/79/30/95/588793095.db2.gz WOBVOYOUZBWDFR-VXGBXAGGSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000854650103 588799337 /nfs/dbraw/zinc/79/93/37/588799337.db2.gz MVKZCXQOIQIHIR-TUAOUCFPSA-N 1 0 238.331 0.576 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1nccnc1C ZINC000854663703 588799966 /nfs/dbraw/zinc/79/99/66/588799966.db2.gz DETKOJQKQULEOB-UHFFFAOYSA-N 1 0 246.314 0.470 20 30 BCEDRO C#C[C@@H](CO)NC(=O)c1cccc(C[NH+](C)C)c1 ZINC000854770409 588806738 /nfs/dbraw/zinc/80/67/38/588806738.db2.gz HIBIOZPFTRYNED-ZDUSSCGKSA-N 1 0 246.310 0.472 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC12COC2 ZINC000854838557 588812750 /nfs/dbraw/zinc/81/27/50/588812750.db2.gz NTKSEWAORNEZEN-UHFFFAOYSA-N 1 0 210.277 0.106 20 30 BCEDRO C[NH+](C)CCONC(=O)c1cc(C#N)ccn1 ZINC000854945254 588817909 /nfs/dbraw/zinc/81/79/09/588817909.db2.gz LZIFDJFYKJNDMK-UHFFFAOYSA-N 1 0 234.259 0.176 20 30 BCEDRO CON=CC(=O)NC[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000855165481 588824676 /nfs/dbraw/zinc/82/46/76/588824676.db2.gz WGKWIZVIPCUOCM-VIFPVBQESA-N 1 0 227.308 0.608 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1nnc(C2CC2)n1C ZINC000855251377 588826604 /nfs/dbraw/zinc/82/66/04/588826604.db2.gz LAASKTYVDVDUNI-UHFFFAOYSA-N 1 0 249.318 0.749 20 30 BCEDRO C#CCOc1ccc(C[NH2+]CC(=O)NCC)cc1 ZINC000113314140 588831207 /nfs/dbraw/zinc/83/12/07/588831207.db2.gz FFZUGWCXSBWYAR-UHFFFAOYSA-N 1 0 246.310 0.924 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000855416866 588831941 /nfs/dbraw/zinc/83/19/41/588831941.db2.gz CAOBPZONJCOBRH-MNOVXSKESA-N 1 0 226.320 0.481 20 30 BCEDRO C[C@H](CCNC(=O)C#CC1CC1)[NH+](C)C ZINC000855417397 588832303 /nfs/dbraw/zinc/83/23/03/588832303.db2.gz FYOXAPOSNIIDNO-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO CON=CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000855417885 588832385 /nfs/dbraw/zinc/83/23/85/588832385.db2.gz QXJQAYWZFZIYCG-MRVPVSSYSA-N 1 0 201.270 0.075 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890880140 582584032 /nfs/dbraw/zinc/58/40/32/582584032.db2.gz SPRQGAXKIJJGFK-ZDUSSCGKSA-N 1 0 242.363 0.970 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890880139 582584414 /nfs/dbraw/zinc/58/44/14/582584414.db2.gz SPRQGAXKIJJGFK-CYBMUJFWSA-N 1 0 242.363 0.970 20 30 BCEDRO CCN(C(=O)C=NOC)[C@H]1CC[N@H+](CC)C1 ZINC000855485473 588837790 /nfs/dbraw/zinc/83/77/90/588837790.db2.gz CRUILVYYUTUMTB-JTQLQIEISA-N 1 0 227.308 0.561 20 30 BCEDRO C#CCNC(=O)C[N@@H+](CC)CCOCC ZINC000113427449 588839033 /nfs/dbraw/zinc/83/90/33/588839033.db2.gz FQLMUUQCTHZVPH-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C=C[C@H](C)ONC(=O)N1CC[NH+]2CCC1CC2 ZINC000845616108 582616640 /nfs/dbraw/zinc/61/66/40/582616640.db2.gz GOKLCLKTQQSXRR-JTQLQIEISA-N 1 0 239.319 0.982 20 30 BCEDRO C#Cc1ccc(C(=O)N(C)CC2C[NH+](C)C2)cn1 ZINC000855638284 588842661 /nfs/dbraw/zinc/84/26/61/588842661.db2.gz ACEWVOIVSOQBHY-UHFFFAOYSA-N 1 0 243.310 0.697 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N(C)CC1C[NH+](C)C1 ZINC000855638362 588842913 /nfs/dbraw/zinc/84/29/13/588842913.db2.gz DICCMYSFRRPMHA-ZDUSSCGKSA-N 1 0 249.358 0.104 20 30 BCEDRO CC(C)(C#N)CNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891766503 582717971 /nfs/dbraw/zinc/71/79/71/582717971.db2.gz RQRSCFKUJOJLFO-IUCAKERBSA-N 1 0 222.292 0.292 20 30 BCEDRO CCN(C(=O)NCC(C)(C)C#N)[C@H]1CC[NH2+]C1 ZINC000891765201 582718174 /nfs/dbraw/zinc/71/81/74/582718174.db2.gz DAADBNMEBVUYSS-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCCCC#N ZINC000891769857 582718568 /nfs/dbraw/zinc/71/85/68/582718568.db2.gz RRGBTKQDNCQIAN-BDAKNGLRSA-N 1 0 210.281 0.421 20 30 BCEDRO CC#CCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891811764 582725109 /nfs/dbraw/zinc/72/51/09/582725109.db2.gz JLBNSIIWICIFRF-NXEZZACHSA-N 1 0 209.293 0.531 20 30 BCEDRO CCCn1cc(C=NNC2=[NH+]C[C@H](C)N2)cn1 ZINC000779794205 582732355 /nfs/dbraw/zinc/73/23/55/582732355.db2.gz DSUORVHIWGQGOZ-VIFPVBQESA-N 1 0 234.307 0.564 20 30 BCEDRO N#CC1(CNC(=O)N[C@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000891874309 582733844 /nfs/dbraw/zinc/73/38/44/582733844.db2.gz DRVGBNHGFFDHAL-ZJUUUORDSA-N 1 0 236.319 0.859 20 30 BCEDRO C=CCONC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000891942894 582741541 /nfs/dbraw/zinc/74/15/41/582741541.db2.gz HQDPRYUNTWMSSF-MRVPVSSYSA-N 1 0 249.261 0.648 20 30 BCEDRO C=CCONC(=O)NC[C@@H]1C[NH2+]CCC1(F)F ZINC000891942895 582741706 /nfs/dbraw/zinc/74/17/06/582741706.db2.gz HQDPRYUNTWMSSF-QMMMGPOBSA-N 1 0 249.261 0.648 20 30 BCEDRO C=CCC1(O)CCN(C(=O)N[C@@H](C)C[NH3+])CC1 ZINC000892092263 582789787 /nfs/dbraw/zinc/78/97/87/582789787.db2.gz JUJOSXSXCHDOJR-JTQLQIEISA-N 1 0 241.335 0.446 20 30 BCEDRO COc1cccc(NC(=[NH2+])NC[C@H](C)O)c1 ZINC000104153306 582791980 /nfs/dbraw/zinc/79/19/80/582791980.db2.gz WRTZPVRKRDBEPX-QMMMGPOBSA-N 1 0 223.276 0.803 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1[C@H](C)O ZINC000855867157 588852159 /nfs/dbraw/zinc/85/21/59/588852159.db2.gz CHACOJHQCZXRDW-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCCOCC(F)(F)F)N1 ZINC000848988325 582818692 /nfs/dbraw/zinc/81/86/92/582818692.db2.gz SYYMHGWDPJEDGB-ZETCQYMHSA-N 1 0 239.241 0.893 20 30 BCEDRO Cc1nn(C)c(C)c1CCCNC1=[NH+]CCN1C ZINC000849015565 582826641 /nfs/dbraw/zinc/82/66/41/582826641.db2.gz ALFYRSIXABBODJ-UHFFFAOYSA-N 1 0 249.362 0.861 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCc1cncc(C)n1 ZINC000855952068 588855066 /nfs/dbraw/zinc/85/50/66/588855066.db2.gz XTFYMXBRCJFCKL-UHFFFAOYSA-N 1 0 248.330 0.562 20 30 BCEDRO CNC(NCCc1nccnc1C)=[NH+]C ZINC000849033640 582835602 /nfs/dbraw/zinc/83/56/02/582835602.db2.gz TWVPMWCFGYKHLE-UHFFFAOYSA-N 1 0 207.281 0.122 20 30 BCEDRO CNC(NC[C@@H](C)C(=O)OC(C)(C)C)=[NH+]C ZINC000849048637 582841604 /nfs/dbraw/zinc/84/16/04/582841604.db2.gz FDQFUPKVXVLFKE-MRVPVSSYSA-N 1 0 229.324 0.759 20 30 BCEDRO N#CCN1CCC(Nc2cc[nH+]cc2CO)CC1 ZINC000892404132 582877707 /nfs/dbraw/zinc/87/77/07/582877707.db2.gz YJIYLUHBTDZGKT-UHFFFAOYSA-N 1 0 246.314 0.396 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000892443590 582888529 /nfs/dbraw/zinc/88/85/29/582888529.db2.gz BOZBKLCYTFSNIT-XYPYZODXSA-N 1 0 223.320 0.826 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892567318 582915750 /nfs/dbraw/zinc/91/57/50/582915750.db2.gz LDEYTJAZFIAWCH-GMTAPVOTSA-N 1 0 241.335 0.350 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892572014 582917420 /nfs/dbraw/zinc/91/74/20/582917420.db2.gz OFPRGMVJDLVUGA-GMTAPVOTSA-N 1 0 241.335 0.208 20 30 BCEDRO C=C(CO)C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000856280665 588866934 /nfs/dbraw/zinc/86/69/34/588866934.db2.gz APDJLOLTXMYTQL-UHFFFAOYSA-N 1 0 228.336 0.772 20 30 BCEDRO C#CCOCC[NH2+][C@H](C#C)[C@@H]1CCCO1 ZINC000851950011 582982942 /nfs/dbraw/zinc/98/29/42/582982942.db2.gz LLODUNAQKQKJFQ-NEPJUHHUSA-N 1 0 207.273 0.407 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCN(CC)C1=O)[C@@H]1CCCO1 ZINC000851951110 582984470 /nfs/dbraw/zinc/98/44/70/582984470.db2.gz UXAVYUREUMPHNJ-SRVKXCTJSA-N 1 0 236.315 0.378 20 30 BCEDRO C#CCCN(CCOC)C(=O)[C@H](CC)[NH+](C)C ZINC000856388451 588871058 /nfs/dbraw/zinc/87/10/58/588871058.db2.gz JFICOUGNYLCONU-LBPRGKRZSA-N 1 0 240.347 0.825 20 30 BCEDRO C#C[C@H]1COCCN1CC[C@H]1COC(C)(C)O1 ZINC000852162862 583008533 /nfs/dbraw/zinc/00/85/33/583008533.db2.gz VHSLVAVTGICBMZ-RYUDHWBXSA-N 1 0 239.315 0.862 20 30 BCEDRO C#CCCN(CCOC)Cc1nccc(N)n1 ZINC000852749139 583016675 /nfs/dbraw/zinc/01/66/75/583016675.db2.gz PYIUGSVIKUGEIV-UHFFFAOYSA-N 1 0 234.303 0.531 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(NC(=O)OC)CC1 ZINC000852766424 583016726 /nfs/dbraw/zinc/01/67/26/583016726.db2.gz AANQUNGUQHTJAX-NSHDSACASA-N 1 0 242.319 0.744 20 30 BCEDRO N#Cc1cnn(C(=O)CCn2ccnc2)c1N ZINC000725891044 583074941 /nfs/dbraw/zinc/07/49/41/583074941.db2.gz OZJGHGLWSIBRRU-UHFFFAOYSA-N 1 0 230.231 0.264 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000856797526 588876035 /nfs/dbraw/zinc/87/60/35/588876035.db2.gz IGLGHPGNKPOUDO-VXGBXAGGSA-N 1 0 211.305 0.587 20 30 BCEDRO CCOCCC[NH+]=C(N(C)C)N(C)C ZINC000104153427 583110710 /nfs/dbraw/zinc/11/07/10/583110710.db2.gz KNIMHUBMNRBLCR-UHFFFAOYSA-N 1 0 201.314 0.892 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000856797196 588878178 /nfs/dbraw/zinc/87/81/78/588878178.db2.gz CKUSGIBKUONLIZ-VXGBXAGGSA-N 1 0 238.331 0.076 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000856797193 588878197 /nfs/dbraw/zinc/87/81/97/588878197.db2.gz CKUSGIBKUONLIZ-NEPJUHHUSA-N 1 0 238.331 0.076 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893474963 583150867 /nfs/dbraw/zinc/15/08/67/583150867.db2.gz HMODBAUTJUYDHT-GHMZBOCLSA-N 1 0 247.360 0.602 20 30 BCEDRO Cc1noc(CCNC(=[NH2+])NCCC(C)C)n1 ZINC000104183002 583159777 /nfs/dbraw/zinc/15/97/77/583159777.db2.gz OYZIKHMOMZLOIF-UHFFFAOYSA-N 1 0 239.323 0.871 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@H]1CCCO1 ZINC000893674815 583194708 /nfs/dbraw/zinc/19/47/08/583194708.db2.gz ADGAQTTZJCACOT-QJPTWQEYSA-N 1 0 239.315 0.908 20 30 BCEDRO C#Cc1ccc(C[N@@H+]2CC[C@H](O)[C@H](CO)C2)cc1 ZINC000840975595 583212190 /nfs/dbraw/zinc/21/21/90/583212190.db2.gz PHNUFHFSFDUHPG-GJZGRUSLSA-N 1 0 245.322 0.843 20 30 BCEDRO C#Cc1ccc(C[N@@H+]2CC[C@H](O)[C@@H](CO)C2)cc1 ZINC000840975593 583212205 /nfs/dbraw/zinc/21/22/05/583212205.db2.gz PHNUFHFSFDUHPG-CABCVRRESA-N 1 0 245.322 0.843 20 30 BCEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](CO)C2)cc1 ZINC000840975601 583212567 /nfs/dbraw/zinc/21/25/67/583212567.db2.gz PHNUFHFSFDUHPG-HUUCEWRRSA-N 1 0 245.322 0.843 20 30 BCEDRO C#CCSCC(=O)NC[C@H]1CC[N@H+]1CC ZINC000893869467 583241666 /nfs/dbraw/zinc/24/16/66/583241666.db2.gz ANGWNWWZMZWSHD-SNVBAGLBSA-N 1 0 226.345 0.563 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)n1 ZINC000893938447 583253521 /nfs/dbraw/zinc/25/35/21/583253521.db2.gz CPQDAQZKLXCBEY-PWSUYJOCSA-N 1 0 243.314 0.797 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000893975833 583265290 /nfs/dbraw/zinc/26/52/90/583265290.db2.gz HYKSYFYJQOBVTK-RKDXNWHRSA-N 1 0 231.242 0.996 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3ccc(C#N)o3)[C@@H]2C1 ZINC000814145968 583342965 /nfs/dbraw/zinc/34/29/65/583342965.db2.gz PMUJWTJGGWAMCY-GXSJLCMTSA-N 1 0 245.282 0.927 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1sc(C)nc1C ZINC000726738495 583371788 /nfs/dbraw/zinc/37/17/88/583371788.db2.gz XDFAHXPPVXQJIE-UHFFFAOYSA-N 1 0 211.294 0.967 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2cc(C)no2)CC1 ZINC000726789562 583374744 /nfs/dbraw/zinc/37/47/44/583374744.db2.gz MNCSWPQRQXHOOI-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000894272505 583403981 /nfs/dbraw/zinc/40/39/81/583403981.db2.gz XTFVTIRSVRMQSC-GXTWGEPZSA-N 1 0 249.358 0.993 20 30 BCEDRO C#Cc1cncc(C(=O)NC2CC([NH+](C)C)C2)c1 ZINC000857228033 588896608 /nfs/dbraw/zinc/89/66/08/588896608.db2.gz DQPMENWJAMCVPC-UHFFFAOYSA-N 1 0 243.310 0.885 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CCCOCC2)C1=O ZINC000334816489 583439138 /nfs/dbraw/zinc/43/91/38/583439138.db2.gz PXJYCEUKDYEJNW-LLVKDONJSA-N 1 0 224.304 0.496 20 30 BCEDRO C#C[C@H](C)[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000894385264 583443266 /nfs/dbraw/zinc/44/32/66/583443266.db2.gz YGGCQGYRXOIFNM-AEJSXWLSSA-N 1 0 215.318 0.421 20 30 BCEDRO C#CCCCCNC(=O)N(C)CCC[NH3+] ZINC000841861099 583454361 /nfs/dbraw/zinc/45/43/61/583454361.db2.gz SHPVOMSQWWVKKV-UHFFFAOYSA-N 1 0 211.309 0.780 20 30 BCEDRO C=CCOCC[NH2+]C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894432346 583457182 /nfs/dbraw/zinc/45/71/82/583457182.db2.gz YLYZDOGQCSDPNJ-DTWKUNHWSA-N 1 0 249.257 0.833 20 30 BCEDRO COC(=O)[C@@H]1[C@H](C[NH2+]CCCC#N)C1(F)F ZINC000894446048 583461243 /nfs/dbraw/zinc/46/12/43/583461243.db2.gz WYWXVVUFHZSUSI-YUMQZZPRSA-N 1 0 232.230 0.934 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCCC#N)[C@@H]2C1 ZINC000894484280 583470591 /nfs/dbraw/zinc/47/05/91/583470591.db2.gz DSNYIWQLYURZOO-VHSXEESVSA-N 1 0 222.292 0.246 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCC#N)[C@@H]2C1 ZINC000894484269 583470830 /nfs/dbraw/zinc/47/08/30/583470830.db2.gz DSNYIWQLYURZOO-NXEZZACHSA-N 1 0 222.292 0.246 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@@H](CC)CO ZINC000857330608 588905802 /nfs/dbraw/zinc/90/58/02/588905802.db2.gz VFVUIAWBXIYEEI-RYUDHWBXSA-N 1 0 240.347 0.936 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](C)COC(C)=O ZINC000894640243 583498129 /nfs/dbraw/zinc/49/81/29/583498129.db2.gz ZZNYCWIUGCLIPD-LLVKDONJSA-N 1 0 226.320 0.483 20 30 BCEDRO C[C@H](C#N)OCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000881323224 583550926 /nfs/dbraw/zinc/55/09/26/583550926.db2.gz DKZWGZBJNJQRQN-MNOVXSKESA-N 1 0 249.318 0.674 20 30 BCEDRO N#Cc1cnnc(N[C@H]2Cc3cncn3C2)c1 ZINC000894996665 583566596 /nfs/dbraw/zinc/56/65/96/583566596.db2.gz NXWKJNYDLXWVFD-VIFPVBQESA-N 1 0 226.243 0.582 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NC/C=C\Cl ZINC000895056546 583575103 /nfs/dbraw/zinc/57/51/03/583575103.db2.gz NXDUFPGZOADZQG-XQRVVYSFSA-N 1 0 243.738 0.993 20 30 BCEDRO CCC[C@H]1CN(c2cnc(C#N)cn2)CC[NH2+]1 ZINC000895059909 583576043 /nfs/dbraw/zinc/57/60/43/583576043.db2.gz YJKLQDGFSVVEKH-JTQLQIEISA-N 1 0 231.303 0.927 20 30 BCEDRO C[C@H](C1CC1)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895065653 583577852 /nfs/dbraw/zinc/57/78/52/583577852.db2.gz GCJDSGVKKKDFLY-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cn2cccnc2n1 ZINC000895096700 583588368 /nfs/dbraw/zinc/58/83/68/583588368.db2.gz BSIVOMOOEUALNC-LLVKDONJSA-N 1 0 244.298 0.593 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]C1CC(n2cccn2)C1 ZINC000895098354 583588422 /nfs/dbraw/zinc/58/84/22/583588422.db2.gz JWHFWQBHIKDZPT-HIFPTAJRSA-N 1 0 233.315 0.951 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000895097651 583588448 /nfs/dbraw/zinc/58/84/48/583588448.db2.gz HDHFDGQNQUBVFE-JHJVBQTASA-N 1 0 241.331 0.402 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]CCC[C@@H]1CCO1 ZINC000895101094 583589044 /nfs/dbraw/zinc/58/90/44/583589044.db2.gz ZIJRPLFGCDFSBG-VXGBXAGGSA-N 1 0 211.305 0.919 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)Cn1cncn1 ZINC000895102830 583589167 /nfs/dbraw/zinc/58/91/67/583589167.db2.gz GEKNAZZVZYAEOU-MNOVXSKESA-N 1 0 222.292 0.031 20 30 BCEDRO C#CCOCCNC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000841874893 583591236 /nfs/dbraw/zinc/59/12/36/583591236.db2.gz KHDPEQLJJGLQSL-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO C#CCOCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841875197 583591773 /nfs/dbraw/zinc/59/17/73/583591773.db2.gz MMTTZAYDFIJUCI-QWRGUYRKSA-N 1 0 239.319 0.205 20 30 BCEDRO C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cocn1 ZINC000814885608 583597437 /nfs/dbraw/zinc/59/74/37/583597437.db2.gz FLKAOQUKEMWOON-UWVGGRQHSA-N 1 0 233.275 0.869 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000895131444 583601205 /nfs/dbraw/zinc/60/12/05/583601205.db2.gz ILAXFZGUWGJJNB-UMSGYPCISA-N 1 0 241.331 0.543 20 30 BCEDRO O=C1[C@H]([NH2+]CC[C@H]2CCOC2)CCCN1O ZINC000895158957 583608821 /nfs/dbraw/zinc/60/88/21/583608821.db2.gz AFXMMUHEWRQVLV-VHSXEESVSA-N 1 0 228.292 0.383 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@@H]1CC1(F)F ZINC000895159891 583609229 /nfs/dbraw/zinc/60/92/29/583609229.db2.gz YPUHGALIAZQMSB-BIIVOSGPSA-N 1 0 234.246 1.000 20 30 BCEDRO C[C@@H]1C[C@@H](N[C@@H]2CCCN(O)C2=O)CC[N@@H+]1C ZINC000895159422 583609281 /nfs/dbraw/zinc/60/92/81/583609281.db2.gz VMCBYLAIGUBPEY-OUAUKWLOSA-N 1 0 241.335 0.439 20 30 BCEDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160982 583609633 /nfs/dbraw/zinc/60/96/33/583609633.db2.gz QFRXGRJDMPYHHS-GMTAPVOTSA-N 1 0 242.319 0.771 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@@H]1CCCOC1 ZINC000895161413 583609868 /nfs/dbraw/zinc/60/98/68/583609868.db2.gz RGVYYXICXCCYBN-HBNTYKKESA-N 1 0 242.319 0.771 20 30 BCEDRO CCOC1CC([NH2+][C@H]2CCCN(O)C2=O)C1 ZINC000895161913 583610289 /nfs/dbraw/zinc/61/02/89/583610289.db2.gz VPCWSAAIUDLWLL-RTBKNWGFSA-N 1 0 228.292 0.524 20 30 BCEDRO O=C1[C@H]([NH2+][C@@H]2CCCSC2)CCCN1O ZINC000895163028 583611295 /nfs/dbraw/zinc/61/12/95/583611295.db2.gz PMZABBGCRKUPAM-RKDXNWHRSA-N 1 0 230.333 0.852 20 30 BCEDRO CNC(NC[C@H](CO)Cc1ccco1)=[NH+]C ZINC000727241495 583624725 /nfs/dbraw/zinc/62/47/25/583624725.db2.gz UTOJSWCVNCDMOK-SECBINFHSA-N 1 0 225.292 0.225 20 30 BCEDRO CON(C)C(=O)CC[NH+]1CCC(C#N)CC1 ZINC000788014154 583637296 /nfs/dbraw/zinc/63/72/96/583637296.db2.gz YFAYJQOVBRIQKZ-UHFFFAOYSA-N 1 0 225.292 0.632 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2cccn2C)CC1 ZINC000895378609 583662227 /nfs/dbraw/zinc/66/22/27/583662227.db2.gz HWJAATBXDPPINQ-UHFFFAOYSA-N 1 0 218.300 0.985 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1C[C@H](OCC)[C@@H]1SC ZINC000895490635 583680699 /nfs/dbraw/zinc/68/06/99/583680699.db2.gz RJQBXUOIPKHOEE-WISYIIOYSA-N 1 0 243.372 0.869 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1Cc2cncn2C1 ZINC000857888361 588921179 /nfs/dbraw/zinc/92/11/79/588921179.db2.gz YSVJPYYJFPDQHT-SNVBAGLBSA-N 1 0 234.303 0.042 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000895675246 583704126 /nfs/dbraw/zinc/70/41/26/583704126.db2.gz CUHSUUGUVBELHL-HBNTYKKESA-N 1 0 221.304 0.354 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000895675243 583704230 /nfs/dbraw/zinc/70/42/30/583704230.db2.gz CUHSUUGUVBELHL-DCAQKATOSA-N 1 0 221.304 0.354 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000895679879 583705934 /nfs/dbraw/zinc/70/59/34/583705934.db2.gz RMQIDWRDERAYED-MNOVXSKESA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCSCC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000895685700 583709715 /nfs/dbraw/zinc/70/97/15/583709715.db2.gz NGINTGBPEIHKNI-LLVKDONJSA-N 1 0 240.372 0.953 20 30 BCEDRO C#CCN1CCC[C@@H](NCc2csnn2)C1 ZINC000895746735 583716751 /nfs/dbraw/zinc/71/67/51/583716751.db2.gz CHSPNZYAAWOLNR-SNVBAGLBSA-N 1 0 236.344 0.725 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C[C@@H](C)COC)C1 ZINC000895748951 583717246 /nfs/dbraw/zinc/71/72/46/583717246.db2.gz TYACGRUJMADHNL-OLZOCXBDSA-N 1 0 224.348 0.956 20 30 BCEDRO C[C@@H]1CS(=O)(=O)C[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000895796775 583730457 /nfs/dbraw/zinc/73/04/57/583730457.db2.gz PKGNVTHKUZKQQO-DBIOUOCHSA-N 1 0 242.344 0.701 20 30 BCEDRO C[C@@H](C#N)Oc1ccc(C=NNC(N)=[NH2+])cc1 ZINC000727686623 583737280 /nfs/dbraw/zinc/73/72/80/583737280.db2.gz GHFCSSVJMRZYQC-QMMMGPOBSA-N 1 0 231.259 0.794 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cn2ccnc2s1 ZINC000895965107 583753729 /nfs/dbraw/zinc/75/37/29/583753729.db2.gz RQOLPROEKJGOQL-VIFPVBQESA-N 1 0 235.312 0.870 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cn(CC)nn1 ZINC000896035126 583764453 /nfs/dbraw/zinc/76/44/53/583764453.db2.gz NMXFCLDONOXAFB-SNVBAGLBSA-N 1 0 224.308 0.715 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)COC(C)=O ZINC000896034726 583764596 /nfs/dbraw/zinc/76/45/96/583764596.db2.gz FSPYLHQWJRFXKG-GXSJLCMTSA-N 1 0 215.293 0.855 20 30 BCEDRO CCO[C@@H](CNc1cnc(C#N)cn1)C[NH+](C)C ZINC000896118700 583772251 /nfs/dbraw/zinc/77/22/51/583772251.db2.gz UXIRYGIPSATTIA-NSHDSACASA-N 1 0 249.318 0.727 20 30 BCEDRO C#C[C@H]1CCCCN1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000896619080 583818122 /nfs/dbraw/zinc/81/81/22/583818122.db2.gz JHLHIWMYWFBABR-RYUDHWBXSA-N 1 0 235.331 0.888 20 30 BCEDRO C#CCN(CC#N)CC1CC[NH+](C)CC1 ZINC000897164070 583888146 /nfs/dbraw/zinc/88/81/46/583888146.db2.gz HPJGRNAAYZIBDX-UHFFFAOYSA-N 1 0 205.305 0.787 20 30 BCEDRO C=CCONC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000841913009 583903366 /nfs/dbraw/zinc/90/33/66/583903366.db2.gz FTCFDIXASWNZLU-IUCAKERBSA-N 1 0 213.281 0.496 20 30 BCEDRO CC#CCNC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897254306 583903627 /nfs/dbraw/zinc/90/36/27/583903627.db2.gz PXZSJTQXZPCUFI-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO CC#CCNC(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000897254307 583903740 /nfs/dbraw/zinc/90/37/40/583903740.db2.gz PXZSJTQXZPCUFI-SNVBAGLBSA-N 1 0 208.305 0.999 20 30 BCEDRO C#Cc1cccc(CNC(=O)NCC2C[NH2+]C2)c1 ZINC000841913535 583904271 /nfs/dbraw/zinc/90/42/71/583904271.db2.gz PIGXHJYZSIHEJQ-UHFFFAOYSA-N 1 0 243.310 0.687 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@H](CO)C2)n1 ZINC000897354927 583930871 /nfs/dbraw/zinc/93/08/71/583930871.db2.gz BIBORLXOQHNBSX-OTCDBFHCSA-N 1 0 217.272 0.814 20 30 BCEDRO CCC[N@H+](CC(=O)NCCC#N)C1CC1 ZINC000728931259 583937792 /nfs/dbraw/zinc/93/77/92/583937792.db2.gz QWSVBITWBCIRRQ-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C#CCN(C(=O)C1C[NH+]([C@@H]2CCOC2)C1)C1CC1 ZINC000897404316 583951497 /nfs/dbraw/zinc/95/14/97/583951497.db2.gz BOJVVIFXHOXGAI-CYBMUJFWSA-N 1 0 248.326 0.331 20 30 BCEDRO C#CCN(CC)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000897429321 583973099 /nfs/dbraw/zinc/97/30/99/583973099.db2.gz DKTRQVAGEZQKPU-LBPRGKRZSA-N 1 0 237.347 0.993 20 30 BCEDRO C#C[C@H](C)NC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897433975 583973553 /nfs/dbraw/zinc/97/35/53/583973553.db2.gz IHVIKJJJIJLJBU-JTQLQIEISA-N 1 0 236.315 0.235 20 30 BCEDRO C#CCOCCNC(=O)[C@H](CC)[NH+](C)C ZINC000753225208 583978850 /nfs/dbraw/zinc/97/88/50/583978850.db2.gz DFICHZKDHFTYIT-JTQLQIEISA-N 1 0 212.293 0.093 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1cc[nH]n1 ZINC000858334397 588946775 /nfs/dbraw/zinc/94/67/75/588946775.db2.gz WEKFCDUURHAHPE-SNVBAGLBSA-N 1 0 207.277 0.928 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000897514963 583999647 /nfs/dbraw/zinc/99/96/47/583999647.db2.gz DYJPYLCOMRWSCK-GHMZBOCLSA-N 1 0 241.335 0.317 20 30 BCEDRO C#CCN(C)C(=O)c1cc([C@H]2CCCN2C)[nH]n1 ZINC000897535375 584009967 /nfs/dbraw/zinc/00/99/67/584009967.db2.gz IJSUMYOPICZKKQ-GFCCVEGCSA-N 1 0 246.314 0.882 20 30 BCEDRO C[NH+]1CCC(CN2CCO[C@](C)(C#N)C2)CC1 ZINC000897588657 584023165 /nfs/dbraw/zinc/02/31/65/584023165.db2.gz JWOGEZYNPQAGSR-CYBMUJFWSA-N 1 0 237.347 0.943 20 30 BCEDRO N#CCCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897590184 584023736 /nfs/dbraw/zinc/02/37/36/584023736.db2.gz BSPABKXQYATIFY-UHFFFAOYSA-N 1 0 237.303 0.127 20 30 BCEDRO C#CCCN1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000858388923 588950515 /nfs/dbraw/zinc/95/05/15/588950515.db2.gz LIQFMVPHLDTOST-UHFFFAOYSA-N 1 0 245.326 0.719 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897648654 584034685 /nfs/dbraw/zinc/03/46/85/584034685.db2.gz CZVXEDQCGJWOCZ-WDEREUQCSA-N 1 0 240.347 0.912 20 30 BCEDRO C#CCSCC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000897846245 584054258 /nfs/dbraw/zinc/05/42/58/584054258.db2.gz XSCFVYVHKBFIDS-QWRGUYRKSA-N 1 0 240.372 0.904 20 30 BCEDRO Cn1nnnc1CCC[NH2+]C1CCC(C#N)CC1 ZINC000898036780 584078832 /nfs/dbraw/zinc/07/88/32/584078832.db2.gz JJRGJLPBYADXTG-UHFFFAOYSA-N 1 0 248.334 0.815 20 30 BCEDRO CON=CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898828461 584160833 /nfs/dbraw/zinc/16/08/33/584160833.db2.gz CCRSCPQBHCOYJD-VHSXEESVSA-N 1 0 239.319 0.608 20 30 BCEDRO C#CC1(O)CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000899114669 584175877 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/nfs/dbraw/zinc/23/45/51/584234551.db2.gz PXGMDPBTDIPWOT-LLVKDONJSA-N 1 0 244.335 0.008 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H]2COC[C@@H]2CC)nn1 ZINC000899884507 584246693 /nfs/dbraw/zinc/24/66/93/584246693.db2.gz HBOSXRMXIKYVIH-JQWIXIFHSA-N 1 0 236.319 0.979 20 30 BCEDRO C=CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000899922519 584257422 /nfs/dbraw/zinc/25/74/22/584257422.db2.gz UCVNLTQKFQCAIT-LLVKDONJSA-N 1 0 212.293 0.135 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CC(N)=O)C(C)C ZINC000899958075 584260765 /nfs/dbraw/zinc/26/07/65/584260765.db2.gz FOJXOTQUNPHDEY-UHFFFAOYSA-N 1 0 241.335 0.217 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C(=O)NCC ZINC000899980574 584261709 /nfs/dbraw/zinc/26/17/09/584261709.db2.gz FONRFTPSZPGZKZ-SNVBAGLBSA-N 1 0 241.335 0.135 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCO[C@H](C)C1 ZINC000900048246 584268700 /nfs/dbraw/zinc/26/87/00/584268700.db2.gz CBSBCGPTWWBBEM-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](O)C1 ZINC000900146744 584278425 /nfs/dbraw/zinc/27/84/25/584278425.db2.gz DNCFUYWXSJHBBR-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](CO)C1 ZINC000900146470 584278838 /nfs/dbraw/zinc/27/88/38/584278838.db2.gz OOISPEFOPWMMDY-LBPRGKRZSA-N 1 0 240.347 0.725 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H](O)C1 ZINC000900146745 584278852 /nfs/dbraw/zinc/27/88/52/584278852.db2.gz DNCFUYWXSJHBBR-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900169066 584282020 /nfs/dbraw/zinc/28/20/20/584282020.db2.gz QAAFPEROSUJWQE-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccnc(C)n1 ZINC000900291497 584291721 /nfs/dbraw/zinc/29/17/21/584291721.db2.gz ICTCEWLIUOCLMO-UHFFFAOYSA-N 1 0 248.330 0.909 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1COCCO1 ZINC000900292265 584291905 /nfs/dbraw/zinc/29/19/05/584291905.db2.gz USFPPLXXXHEGNR-LLVKDONJSA-N 1 0 242.319 0.026 20 30 BCEDRO N#CCCN(CCC#N)C(=O)C12CC[NH+](CC1)C2 ZINC000900329142 584295280 /nfs/dbraw/zinc/29/52/80/584295280.db2.gz LIIAOIHCHPLURR-UHFFFAOYSA-N 1 0 246.314 0.738 20 30 BCEDRO CN(CC#N)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900452542 584312720 /nfs/dbraw/zinc/31/27/20/584312720.db2.gz OPAKKHBNLSDAQA-WDEREUQCSA-N 1 0 221.304 0.985 20 30 BCEDRO C#CCCN1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000900473221 584313751 /nfs/dbraw/zinc/31/37/51/584313751.db2.gz CNYPOJHIMFWPTB-UHFFFAOYSA-N 1 0 246.314 0.120 20 30 BCEDRO C#CCCN1CCN(C(=O)[C@@H](O)/C=C\C)CC1 ZINC000900473029 584313998 /nfs/dbraw/zinc/31/39/98/584313998.db2.gz BUKONGXONQNDFK-RNZFLTOJSA-N 1 0 236.315 0.091 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H](C#N)C1 ZINC000900605007 584330589 /nfs/dbraw/zinc/33/05/89/584330589.db2.gz ILQQFFAIDODCPK-NSHDSACASA-N 1 0 237.303 0.245 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCOC1 ZINC000900604604 584330701 /nfs/dbraw/zinc/33/07/01/584330701.db2.gz DPIUTQWEDGKNJR-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1(C#N)CC1 ZINC000900723543 584344814 /nfs/dbraw/zinc/34/48/14/584344814.db2.gz SBYMFTOKVOSSRM-UHFFFAOYSA-N 1 0 207.277 0.667 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1nonc1C ZINC000900743037 584348238 /nfs/dbraw/zinc/34/82/38/584348238.db2.gz WFZPHSLWMLWAHH-UHFFFAOYSA-N 1 0 238.291 0.502 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1c[nH]cn1 ZINC000900779527 584350063 /nfs/dbraw/zinc/35/00/63/584350063.db2.gz BTVDKBOZNQSQDR-UHFFFAOYSA-N 1 0 222.292 0.534 20 30 BCEDRO CC[C@@H](C(=O)N[C@@](C)(C#N)COC)[NH+](C)C ZINC000901057169 584379824 /nfs/dbraw/zinc/37/98/24/584379824.db2.gz XQBVWLGPUHTVPS-ONGXEEELSA-N 1 0 227.308 0.371 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1(CO)CC1 ZINC000901197333 584397703 /nfs/dbraw/zinc/39/77/03/584397703.db2.gz IHPMASAUEAVHEK-UHFFFAOYSA-N 1 0 212.293 0.135 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCOC[C@@H](C)C1 ZINC000901201982 584398834 /nfs/dbraw/zinc/39/88/34/584398834.db2.gz YZQSGFYYRIZXEF-NSHDSACASA-N 1 0 240.347 0.989 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1cc(C)ncn1 ZINC000901212235 584400990 /nfs/dbraw/zinc/40/09/90/584400990.db2.gz CMOJDKOXTUUWGO-UHFFFAOYSA-N 1 0 248.330 0.909 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cccc3c2OCC3)N1 ZINC000901215487 584401520 /nfs/dbraw/zinc/40/15/20/584401520.db2.gz JSZHTUZHKIOAEN-VIFPVBQESA-N 1 0 244.298 0.893 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]C[C@@H](C)N2)cnc1F ZINC000901217512 584402014 /nfs/dbraw/zinc/40/20/14/584402014.db2.gz XGYQMZANJZWHFM-MRVPVSSYSA-N 1 0 235.266 0.800 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1CO ZINC000901218279 584402620 /nfs/dbraw/zinc/40/26/20/584402620.db2.gz QATOSLILCZECHR-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO CC(=NN[C@@H]1CCOC1)c1c[nH]c(N)[nH+]1 ZINC000901231861 584404020 /nfs/dbraw/zinc/40/40/20/584404020.db2.gz PYQKWLHKIWHSLY-SSDOTTSWSA-N 1 0 209.253 0.094 20 30 BCEDRO CC(=NNCCc1ccncc1)c1c[nH]c(N)[nH+]1 ZINC000901234078 584404690 /nfs/dbraw/zinc/40/46/90/584404690.db2.gz CSCXSCNOJDEQKM-UHFFFAOYSA-N 1 0 244.302 0.943 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(C)CCO ZINC000901243116 584407237 /nfs/dbraw/zinc/40/72/37/584407237.db2.gz JLYHRLFAALLYOG-UHFFFAOYSA-N 1 0 228.336 0.772 20 30 BCEDRO C[C@@H]1Cc2cc(C=NNC3=[NH+]CCN3)ccc2O1 ZINC000901252454 584410351 /nfs/dbraw/zinc/41/03/51/584410351.db2.gz GFJITINIKQELEP-SECBINFHSA-N 1 0 244.298 0.893 20 30 BCEDRO CCn1cnc(C[NH2+]C2CCN(CC#N)CC2)c1 ZINC000902216815 584539723 /nfs/dbraw/zinc/53/97/23/584539723.db2.gz OGMGLLKPMGVPNJ-UHFFFAOYSA-N 1 0 247.346 0.981 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CN2C[C@H]3C[C@H]3C2=O)C1 ZINC000902305152 584554444 /nfs/dbraw/zinc/55/44/44/584554444.db2.gz ILQNAVNUZBNPDE-QJPTWQEYSA-N 1 0 218.300 0.767 20 30 BCEDRO N#Cc1csc(CN[C@@H]2CCC[C@H]2[NH3+])n1 ZINC000902448359 584605366 /nfs/dbraw/zinc/60/53/66/584605366.db2.gz ZRNMCGWKFMCXII-RKDXNWHRSA-N 1 0 222.317 0.984 20 30 BCEDRO N#Cc1csc(CN[C@H]2CCC[C@H]2[NH3+])n1 ZINC000902448356 584605618 /nfs/dbraw/zinc/60/56/18/584605618.db2.gz ZRNMCGWKFMCXII-BDAKNGLRSA-N 1 0 222.317 0.984 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cn(CC)cn1 ZINC000902483894 584624624 /nfs/dbraw/zinc/62/46/24/584624624.db2.gz SOAOLMOCZXYIJE-JTQLQIEISA-N 1 0 209.293 0.930 20 30 BCEDRO C[C@@H](O)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902720433 584659198 /nfs/dbraw/zinc/65/91/98/584659198.db2.gz ICTVICDLDBHNBK-RKDXNWHRSA-N 1 0 205.261 0.985 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)c2nccn2C)C1 ZINC000902731478 584662402 /nfs/dbraw/zinc/66/24/02/584662402.db2.gz YPJMJLWYNGQDLQ-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)OC2COC2)CC1 ZINC000902853125 584681065 /nfs/dbraw/zinc/68/10/65/584681065.db2.gz DYVJDFGUPZCGJY-UHFFFAOYSA-N 1 0 240.303 0.762 20 30 BCEDRO C#CCCOC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000859121295 589005280 /nfs/dbraw/zinc/00/52/80/589005280.db2.gz WZGLGNHWIIWHHY-LLVKDONJSA-N 1 0 240.303 0.457 20 30 BCEDRO COC[C@H](CO)[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902976155 584707640 /nfs/dbraw/zinc/70/76/40/584707640.db2.gz NTTIWJNJGZOKFA-KOLCDFICSA-N 1 0 235.287 0.611 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCNC(C)=O ZINC000902975297 584713500 /nfs/dbraw/zinc/71/35/00/584713500.db2.gz YOKFCCVXFUKYFY-MNOVXSKESA-N 1 0 212.293 0.446 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CCC[C@@H](F)C1 ZINC000903002786 584716134 /nfs/dbraw/zinc/71/61/34/584716134.db2.gz HHDVWXVEIAABGP-VHSXEESVSA-N 1 0 212.268 0.558 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CCC[C@@H](F)C1 ZINC000903002784 584716582 /nfs/dbraw/zinc/71/65/82/584716582.db2.gz HHDVWXVEIAABGP-NXEZZACHSA-N 1 0 212.268 0.558 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H]1OC ZINC000903147629 584732245 /nfs/dbraw/zinc/73/22/45/584732245.db2.gz LUZPKPPZADAESI-QWRGUYRKSA-N 1 0 247.360 0.744 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCO[C@@]12CCOC2 ZINC000903147880 584732359 /nfs/dbraw/zinc/73/23/59/584732359.db2.gz TVTONSWPELEFMX-NWDGAFQWSA-N 1 0 227.304 0.727 20 30 BCEDRO C=CCC[C@H](C)[NH2+]C[C@@]1(CO)COCCN1C ZINC000903277975 584742364 /nfs/dbraw/zinc/74/23/64/584742364.db2.gz KEAWOPTVTKRWEO-QWHCGFSZSA-N 1 0 242.363 0.624 20 30 BCEDRO N#CCCN1CCN(C[C@H]2CCC[NH2+]2)CC1 ZINC000903476163 584777387 /nfs/dbraw/zinc/77/73/87/584777387.db2.gz OVEDAHWUKAMUKK-GFCCVEGCSA-N 1 0 222.336 0.270 20 30 BCEDRO C[C@@H]([NH3+])CNS(=O)(=O)c1ccsc1C#N ZINC000903494111 584780842 /nfs/dbraw/zinc/78/08/42/584780842.db2.gz APRZLUHBJBGVAS-ZCFIWIBFSA-N 1 0 245.329 0.245 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000903563704 584782101 /nfs/dbraw/zinc/78/21/01/584782101.db2.gz JXXKJXCWNKFLQJ-NWDGAFQWSA-N 1 0 235.331 0.743 20 30 BCEDRO CC(C)([NH3+])c1noc(CN2CCC[C@H](C#N)C2)n1 ZINC000903563558 584782436 /nfs/dbraw/zinc/78/24/36/584782436.db2.gz HVVQIFDGFNQQLH-SECBINFHSA-N 1 0 249.318 0.999 20 30 BCEDRO C[C@]1(C#N)CN(CC[C@H]2CCC[NH2+]C2)CCO1 ZINC000903824365 584804404 /nfs/dbraw/zinc/80/44/04/584804404.db2.gz PPENPVJUGIIITF-OLZOCXBDSA-N 1 0 237.347 0.991 20 30 BCEDRO C[C@]1(C#N)CN(CCC[NH2+]C2CC2)CCO1 ZINC000903824592 584804481 /nfs/dbraw/zinc/80/44/81/584804481.db2.gz RIFMTAAAIVMDRI-LBPRGKRZSA-N 1 0 223.320 0.743 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC[C@]23CC[NH2+]C3)C1=O ZINC000903870587 584814529 /nfs/dbraw/zinc/81/45/29/584814529.db2.gz NTBODWVKXUHHEY-TZMCWYRMSA-N 1 0 249.358 0.601 20 30 BCEDRO C=CCC[C@@H](O)CN1CC[NH2+]C[C@H]1COC ZINC000903881023 584817064 /nfs/dbraw/zinc/81/70/64/584817064.db2.gz BARLYYSMBVYZCG-NWDGAFQWSA-N 1 0 228.336 0.234 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)CC1(C#N)CC1 ZINC000859157275 589011354 /nfs/dbraw/zinc/01/13/54/589011354.db2.gz YSSJRLPHAAJRAD-NSHDSACASA-N 1 0 206.289 0.996 20 30 BCEDRO C#CCCOC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000859166899 589012748 /nfs/dbraw/zinc/01/27/48/589012748.db2.gz PDLWRKGKFBQTLW-WDEREUQCSA-N 1 0 222.288 0.782 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H](C)[NH+](C)C ZINC000730276039 584898226 /nfs/dbraw/zinc/89/82/26/584898226.db2.gz FKVZNHJIVTYOOY-RYUDHWBXSA-N 1 0 237.347 0.150 20 30 BCEDRO CCN(CCO)N=C1CCC[N@H+](C)CC1 ZINC000842537707 584900418 /nfs/dbraw/zinc/90/04/18/584900418.db2.gz BACPDHOAIXNHCI-UHFFFAOYSA-N 1 0 213.325 0.772 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C=C1CCCC1 ZINC000834500168 584913592 /nfs/dbraw/zinc/91/35/92/584913592.db2.gz QOUFJVCHDPXBJK-GHMZBOCLSA-N 1 0 219.288 0.715 20 30 BCEDRO C=CCNC(=S)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000730734221 584914778 /nfs/dbraw/zinc/91/47/78/584914778.db2.gz RUWURCKAQCKYCS-JTQLQIEISA-N 1 0 243.376 0.357 20 30 BCEDRO CO[C@H]1CC(=NNC2=[NH+][C@H](C)CN2)C12CCC2 ZINC000834971009 584916254 /nfs/dbraw/zinc/91/62/54/584916254.db2.gz SQHIIOILOCCPPO-SCZZXKLOSA-N 1 0 236.319 0.869 20 30 BCEDRO CO[C@@H]1CC(=NNC2=[NH+][C@H](C)CN2)C12CCC2 ZINC000834971008 584916273 /nfs/dbraw/zinc/91/62/73/584916273.db2.gz SQHIIOILOCCPPO-PSASIEDQSA-N 1 0 236.319 0.869 20 30 BCEDRO C[N@@H+](CC(=O)NCCC#N)C[C@@H]1CCCOC1 ZINC000730808713 584916694 /nfs/dbraw/zinc/91/66/94/584916694.db2.gz OZAPAONJHIJYMF-NSHDSACASA-N 1 0 239.319 0.375 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](c2ccco2)C1 ZINC000732206154 584934639 /nfs/dbraw/zinc/93/46/39/584934639.db2.gz QVNKLSKRSUAXTG-NSHDSACASA-N 1 0 232.283 0.818 20 30 BCEDRO CN1CCc2cc(C=[NH+]OCC(N)=O)ccc21 ZINC000771574662 585004658 /nfs/dbraw/zinc/00/46/58/585004658.db2.gz JSCCUUAJLPGPQP-UHFFFAOYSA-N 1 0 233.271 0.515 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000890062307 585016655 /nfs/dbraw/zinc/01/66/55/585016655.db2.gz RBEZUBYBKKHNMN-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO CON=CC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000774434383 585030662 /nfs/dbraw/zinc/03/06/62/585030662.db2.gz MMIGVXXEHVKEDM-WPRPVWTQSA-N 1 0 225.292 0.218 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NCCC#N ZINC000838574083 585060943 /nfs/dbraw/zinc/06/09/43/585060943.db2.gz ZDWXAGZKLCQEDO-UHFFFAOYSA-N 1 0 222.292 0.154 20 30 BCEDRO C=CCONC(=O)N[C@H](C)CC[NH+](C)C ZINC000838703642 585065173 /nfs/dbraw/zinc/06/51/73/585065173.db2.gz MOMQGCHVWGIJOC-SECBINFHSA-N 1 0 215.297 0.743 20 30 BCEDRO C=CCONC(=O)NCC[N@@H+](C)C(C)C ZINC000838706782 585065469 /nfs/dbraw/zinc/06/54/69/585065469.db2.gz BZSSCYMMRLCKNT-UHFFFAOYSA-N 1 0 215.297 0.743 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000838707952 585065930 /nfs/dbraw/zinc/06/59/30/585065930.db2.gz KKHYWZYVVIGVIB-SECBINFHSA-N 1 0 225.292 0.640 20 30 BCEDRO C=CCONC(=O)N(C)CCC[NH+](C)C ZINC000838712749 585067268 /nfs/dbraw/zinc/06/72/68/585067268.db2.gz SUTRXVQURGMYRJ-UHFFFAOYSA-N 1 0 215.297 0.697 20 30 BCEDRO C#C[C@H]([NH2+]CCc1cncn1C)[C@@H]1CCCO1 ZINC000838936767 585081700 /nfs/dbraw/zinc/08/17/00/585081700.db2.gz OBQXLFSTAIAZRY-STQMWFEESA-N 1 0 233.315 0.733 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCC(=O)N1CCCC1 ZINC000838968789 585082817 /nfs/dbraw/zinc/08/28/17/585082817.db2.gz ATLYPWSPDSMBJV-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCC(=O)N1CCCC1 ZINC000838968788 585082907 /nfs/dbraw/zinc/08/29/07/585082907.db2.gz ATLYPWSPDSMBJV-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CCCN(C=O)CC1 ZINC000839022648 585087683 /nfs/dbraw/zinc/08/76/83/585087683.db2.gz JZJBMBZAOSNEKS-LBPRGKRZSA-N 1 0 208.305 0.952 20 30 BCEDRO CC#CC[N@H+](C)CCC(=O)N1CCCC1 ZINC000839027667 585088011 /nfs/dbraw/zinc/08/80/11/585088011.db2.gz BFGNNLOWVQCLMU-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C#Cc1ccc(C[N@H+]2CCC[C@](O)(CO)C2)cc1 ZINC000839153668 585092577 /nfs/dbraw/zinc/09/25/77/585092577.db2.gz GTQLCJWESCAVSX-OAHLLOKOSA-N 1 0 245.322 0.987 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1cnn(CC)n1 ZINC000839127748 585093580 /nfs/dbraw/zinc/09/35/80/585093580.db2.gz POYBVICOSLQTEE-SNVBAGLBSA-N 1 0 224.308 0.715 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1cnn(CC)n1 ZINC000839127747 585093586 /nfs/dbraw/zinc/09/35/86/585093586.db2.gz POYBVICOSLQTEE-JTQLQIEISA-N 1 0 224.308 0.715 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC000740735804 585106153 /nfs/dbraw/zinc/10/61/53/585106153.db2.gz QAMMEBXSXSYJJA-UHFFFAOYSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000743204881 585133918 /nfs/dbraw/zinc/13/39/18/585133918.db2.gz ZZHMUEZTLMBCIC-UHFFFAOYSA-N 1 0 235.291 0.199 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)CC2(O)CCC2)C1 ZINC000886365189 585134905 /nfs/dbraw/zinc/13/49/05/585134905.db2.gz BTPZVANDSKOYMV-CHWSQXEVSA-N 1 0 237.343 0.998 20 30 BCEDRO C#CCCN1CCN(C(=O)N2CCCC2)CC1 ZINC000744272033 585147033 /nfs/dbraw/zinc/14/70/33/585147033.db2.gz BJSSOZCCEHAXCN-UHFFFAOYSA-N 1 0 235.331 0.843 20 30 BCEDRO C=CCSCCNC(=S)NCC[NH+](C)C ZINC000745019363 585155418 /nfs/dbraw/zinc/15/54/18/585155418.db2.gz OKCCHXHQZCKBJG-UHFFFAOYSA-N 1 0 247.433 0.931 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000745722622 585160438 /nfs/dbraw/zinc/16/04/38/585160438.db2.gz XRLZTFJFYLRBAR-ZDUSSCGKSA-N 1 0 247.342 0.749 20 30 BCEDRO C=CCN(C(=O)CN1CCN(C)CC1)C(C)C ZINC000746218884 585165952 /nfs/dbraw/zinc/16/59/52/585165952.db2.gz MOOKYJFPAIKEFU-UHFFFAOYSA-N 1 0 239.363 0.657 20 30 BCEDRO C=CCc1cc(C=NNC(N)=[NH2+])cc(OC)c1O ZINC000747040072 585174408 /nfs/dbraw/zinc/17/44/08/585174408.db2.gz HZHAGUCEBHZHIT-UHFFFAOYSA-N 1 0 248.286 0.946 20 30 BCEDRO C#CC[N@H+](CC)CCn1ccccc1=O ZINC000749155744 585200082 /nfs/dbraw/zinc/20/00/82/585200082.db2.gz ZPRRBPDUYFPIRH-UHFFFAOYSA-N 1 0 204.273 0.803 20 30 BCEDRO CC[N@@H+]1CCC(N=N[C@H](C)CO)[C@@H](C)C1 ZINC000749820947 585207079 /nfs/dbraw/zinc/20/70/79/585207079.db2.gz LNXLHXVKDKNQNM-VHSXEESVSA-N 1 0 213.325 0.675 20 30 BCEDRO CS/C=C/C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000751577976 585233366 /nfs/dbraw/zinc/23/33/66/585233366.db2.gz HOAYFTDJNOELIB-FPYGCLRLSA-N 1 0 239.344 0.967 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)NCCC#N)[C@H]1C ZINC000752092186 585242311 /nfs/dbraw/zinc/24/23/11/585242311.db2.gz LVWWALSUZSJWEH-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1cnccn1 ZINC000752161719 585243353 /nfs/dbraw/zinc/24/33/53/585243353.db2.gz USZZHWJFOWETTI-QMMMGPOBSA-N 1 0 205.265 0.826 20 30 BCEDRO COCC(=NNC1=[NH+]C[C@H](C)N1)c1ccccc1 ZINC000790173104 585250746 /nfs/dbraw/zinc/25/07/46/585250746.db2.gz DWIJPHKSBDDZDM-JTQLQIEISA-N 1 0 246.314 0.974 20 30 BCEDRO C#CCOCCNC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000753228440 585255623 /nfs/dbraw/zinc/25/56/23/585255623.db2.gz RUTFZTCGYIDBPT-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CC(=O)NC[C@H](Cc1ccccc1)[NH+](C)C ZINC000753900338 585271814 /nfs/dbraw/zinc/27/18/14/585271814.db2.gz AGYVOPCYNQDQQZ-ZDUSSCGKSA-N 1 0 230.311 0.909 20 30 BCEDRO C#CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000753984937 585274285 /nfs/dbraw/zinc/27/42/85/585274285.db2.gz VMGGMWUBPYWDPD-UHFFFAOYSA-N 1 0 206.249 0.016 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+](C[C@H]2C[C@H]2C)CC1 ZINC000754105786 585278617 /nfs/dbraw/zinc/27/86/17/585278617.db2.gz PIYBSCVTSHXNBC-CHWSQXEVSA-N 1 0 249.358 0.009 20 30 BCEDRO C#CCCC[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000754504204 585285205 /nfs/dbraw/zinc/28/52/05/585285205.db2.gz WPBCSXZKKSPGPJ-LBPRGKRZSA-N 1 0 238.331 0.660 20 30 BCEDRO C#C[C@H](CC)NC(=O)C1([NH+](C)C)CCC1 ZINC000754683371 585289541 /nfs/dbraw/zinc/28/95/41/585289541.db2.gz VTIDSNGGVUMIAZ-SNVBAGLBSA-N 1 0 208.305 0.999 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]C[C@H](C)N2)c(C)n1C ZINC000754960526 585292626 /nfs/dbraw/zinc/29/26/26/585292626.db2.gz DZCRNWUUKOXGRM-QMMMGPOBSA-N 1 0 233.319 0.913 20 30 BCEDRO CC(=O)Nc1ccccc1C=NNC(N)=[NH2+] ZINC000755633264 585302735 /nfs/dbraw/zinc/30/27/35/585302735.db2.gz LNIWZHISUMLMGM-UHFFFAOYSA-N 1 0 219.248 0.462 20 30 BCEDRO Cc1[nH]cnc1C=NNS(=O)(=O)C(C)C ZINC000755679087 585303738 /nfs/dbraw/zinc/30/37/38/585303738.db2.gz OFZCBIGSVVXXPO-UHFFFAOYSA-N 1 0 230.293 0.380 20 30 BCEDRO C#CCC[N@H+]1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000839630938 585333087 /nfs/dbraw/zinc/33/30/87/585333087.db2.gz SFUGPQBDSOQWKW-LLVKDONJSA-N 1 0 224.304 0.046 20 30 BCEDRO C#CCC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000839670591 585336330 /nfs/dbraw/zinc/33/63/30/585336330.db2.gz VCEAPVZIDXCIHD-NSHDSACASA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCC[N@H+]1CCSC[C@H](C(=O)OC)C1 ZINC000839677457 585336761 /nfs/dbraw/zinc/33/67/61/585336761.db2.gz SVJZHUBEDIWTTO-SNVBAGLBSA-N 1 0 227.329 0.848 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000839677375 585336914 /nfs/dbraw/zinc/33/69/14/585336914.db2.gz SLBXXCBBGZJJQY-GFCCVEGCSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CCCNC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000757749359 585345260 /nfs/dbraw/zinc/34/52/60/585345260.db2.gz AMHVAQHXDIJFFU-PWSUYJOCSA-N 1 0 235.331 0.792 20 30 BCEDRO C=CC[C@H](CO)NC(=S)NCCC[NH+](C)C ZINC000757959022 585347624 /nfs/dbraw/zinc/34/76/24/585347624.db2.gz NDUVBQGOGCUWBE-SNVBAGLBSA-N 1 0 245.392 0.339 20 30 BCEDRO C#CCNC(=S)NCC[N@H+]1CCCC[C@H]1C ZINC000758192744 585351226 /nfs/dbraw/zinc/35/12/26/585351226.db2.gz OSSZVBOPBVEVLF-LLVKDONJSA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCNC(=S)N1CCC([NH+](C)C)CC1 ZINC000758193292 585351492 /nfs/dbraw/zinc/35/14/92/585351492.db2.gz RKEVCXIIXYGRAB-UHFFFAOYSA-N 1 0 225.361 0.520 20 30 BCEDRO C#CCNC(=S)NC[C@@H]1CCC[N@H+]1C ZINC000758209548 585351970 /nfs/dbraw/zinc/35/19/70/585351970.db2.gz LBGYSDZQUOMPSU-VIFPVBQESA-N 1 0 211.334 0.178 20 30 BCEDRO C#CCNC(=S)N1CC[C@@H](C[NH+](C)C)C1 ZINC000758229410 585352431 /nfs/dbraw/zinc/35/24/31/585352431.db2.gz HPUGDMOOVAQQOE-JTQLQIEISA-N 1 0 225.361 0.378 20 30 BCEDRO C[C@@H]1COCCN(Cn2cccc(C#N)c2=O)C1 ZINC000758243243 585352714 /nfs/dbraw/zinc/35/27/14/585352714.db2.gz OJRXPRVCKCVYDL-NSHDSACASA-N 1 0 247.298 0.646 20 30 BCEDRO CCN(C)c1ccc(C(C)=[NH+]NCC(N)=O)cc1 ZINC000758896988 585361697 /nfs/dbraw/zinc/36/16/97/585361697.db2.gz VQEQNKHCZTXOQK-UHFFFAOYSA-N 1 0 248.330 0.942 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@@H]([NH+](C)C)CC1 ZINC000759965769 585383427 /nfs/dbraw/zinc/38/34/27/585383427.db2.gz IJFOKJHUECHATE-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCC[NH+]1CCN(CCn2cc(C)cn2)CC1 ZINC000760834282 585398704 /nfs/dbraw/zinc/39/87/04/585398704.db2.gz YWYNVLOEGWHZJI-UHFFFAOYSA-N 1 0 246.358 0.832 20 30 BCEDRO C#CCC[NH+]1CCN(C[C@@H]2COCCO2)CC1 ZINC000760840468 585398757 /nfs/dbraw/zinc/39/87/57/585398757.db2.gz LCLPFBVBOGAPOQ-CYBMUJFWSA-N 1 0 238.331 0.043 20 30 BCEDRO C#CCC[N@@H+](C)C[C@H](O)COCCOC(C)C ZINC000760833855 585398784 /nfs/dbraw/zinc/39/87/84/585398784.db2.gz VFZVCAKNOQIVEN-ZDUSSCGKSA-N 1 0 243.347 0.744 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000760842374 585399130 /nfs/dbraw/zinc/39/91/30/585399130.db2.gz HMKNMXOHTCWABG-JTQLQIEISA-N 1 0 230.333 0.010 20 30 BCEDRO N#CCCNC(=O)C[NH+]1CCC2(CC2)CC1 ZINC000761060336 585405070 /nfs/dbraw/zinc/40/50/70/585405070.db2.gz UHFJELAGLGFRIA-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(F)F)C1 ZINC000761109880 585410116 /nfs/dbraw/zinc/41/01/16/585410116.db2.gz PXZCLOLYLXSNQI-BDAKNGLRSA-N 1 0 230.258 0.711 20 30 BCEDRO CCOC(=O)[C@H]1CCC(N=NC(N)=[NH2+])[C@@H](C)C1 ZINC000761256011 585413084 /nfs/dbraw/zinc/41/30/84/585413084.db2.gz XLJGOTNNFHVDSL-YUMQZZPRSA-N 1 0 240.307 0.825 20 30 BCEDRO C#CCNC(=S)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000761536298 585416892 /nfs/dbraw/zinc/41/68/92/585416892.db2.gz XOIZRGDCNPMHBM-LLVKDONJSA-N 1 0 239.388 0.910 20 30 BCEDRO C[C@@H]1CC(NC(=O)C[NH+]2CCC(C)CC2)=NO1 ZINC000763261405 585445455 /nfs/dbraw/zinc/44/54/55/585445455.db2.gz RCQVQRQFABBKBR-SNVBAGLBSA-N 1 0 239.319 0.957 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCO1 ZINC000763894270 585456101 /nfs/dbraw/zinc/45/61/01/585456101.db2.gz FRSZBBJENREFIB-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[N@H+](C)CC1 ZINC000763921648 585457150 /nfs/dbraw/zinc/45/71/50/585457150.db2.gz VMXXWVVDCFLYKV-UHFFFAOYSA-N 1 0 225.336 0.268 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCCn1cccn1 ZINC000764196304 585461238 /nfs/dbraw/zinc/46/12/38/585461238.db2.gz VWLNVHILSVQAAZ-UHFFFAOYSA-N 1 0 236.319 0.507 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(=O)n(CC)c1 ZINC000764375604 585464074 /nfs/dbraw/zinc/46/40/74/585464074.db2.gz WDAPHUIHVPLERU-UHFFFAOYSA-N 1 0 249.314 0.925 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NO[C@@H]1CCCCO1 ZINC000764474860 585466292 /nfs/dbraw/zinc/46/62/92/585466292.db2.gz JJHOQLIKELYNCH-SNVBAGLBSA-N 1 0 228.292 0.679 20 30 BCEDRO C#CCN1CCC([NH+](CC#C)CC#C)CC1 ZINC000764482692 585466612 /nfs/dbraw/zinc/46/66/12/585466612.db2.gz VZMHSADLIHCSOL-UHFFFAOYSA-N 1 0 214.312 0.652 20 30 BCEDRO CC#CC(=O)NC[C@H](C)N1CC[NH+](CC)CC1 ZINC000764508104 585467201 /nfs/dbraw/zinc/46/72/01/585467201.db2.gz OYCABHMTBXPDPW-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC1(O)CCC1 ZINC000764541698 585467588 /nfs/dbraw/zinc/46/75/88/585467588.db2.gz VQFRSGMNZQDFRA-UHFFFAOYSA-N 1 0 212.293 0.135 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccc(=O)[nH]c1 ZINC000764537343 585467651 /nfs/dbraw/zinc/46/76/51/585467651.db2.gz BQEMELCIMUJHSH-UHFFFAOYSA-N 1 0 235.287 0.521 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCC[C@@H]1O ZINC000764629425 585469187 /nfs/dbraw/zinc/46/91/87/585469187.db2.gz AUXHDNWINSTHEB-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@@H]1CC(=NNS(C)(=O)=O)CC[N@@H+]1C ZINC000764704014 585471599 /nfs/dbraw/zinc/47/15/99/585471599.db2.gz IZOJCVPBWAXIHO-SSDOTTSWSA-N 1 0 219.310 0.006 20 30 BCEDRO CC(C)[C@@H](C(=O)NC1=NO[C@@H](C)C1)[NH+](C)C ZINC000765375873 585484498 /nfs/dbraw/zinc/48/44/98/585484498.db2.gz LCBDGDSDJVITDL-WPRPVWTQSA-N 1 0 227.308 0.811 20 30 BCEDRO CC(C)[C@H](C(=O)NC1=NO[C@@H](C)C1)[NH+](C)C ZINC000765375872 585484528 /nfs/dbraw/zinc/48/45/28/585484528.db2.gz LCBDGDSDJVITDL-WCBMZHEXSA-N 1 0 227.308 0.811 20 30 BCEDRO C[C@@H]1CC(NC(=O)[C@H]2CC[N@H+](C)C2)=NO1 ZINC000765384102 585484852 /nfs/dbraw/zinc/48/48/52/585484852.db2.gz LHCSJVLYFYGFDG-SFYZADRCSA-N 1 0 211.265 0.177 20 30 BCEDRO C#CCNC(=S)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000765509188 585488667 /nfs/dbraw/zinc/48/86/67/585488667.db2.gz BZLHDOMDCPDKFE-QWRGUYRKSA-N 1 0 239.388 0.909 20 30 BCEDRO CNC(=S)NN=C1CC[N@@H+]2CCC[C@H]12 ZINC000765548478 585489805 /nfs/dbraw/zinc/48/98/05/585489805.db2.gz MAKKDBBKJYHSFA-MRVPVSSYSA-N 1 0 212.322 0.304 20 30 BCEDRO CCN(C[C@H](C)C#N)[C@@H]1CCC(=O)NC1=O ZINC000765966190 585494527 /nfs/dbraw/zinc/49/45/27/585494527.db2.gz USIDCHGTMAWPER-RKDXNWHRSA-N 1 0 223.276 0.273 20 30 BCEDRO CCN(C[C@@H](C)C#N)[C@@H]1CCC(=O)NC1=O ZINC000765966184 585494717 /nfs/dbraw/zinc/49/47/17/585494717.db2.gz USIDCHGTMAWPER-DTWKUNHWSA-N 1 0 223.276 0.273 20 30 BCEDRO C[C@@H]1CNC(NN=C2CC(C(F)F)C2)=[NH+]1 ZINC000766026618 585496364 /nfs/dbraw/zinc/49/63/64/585496364.db2.gz JGRPDOPJWGVNKJ-LWOQYNTDSA-N 1 0 216.235 0.955 20 30 BCEDRO Cc1cc(C=NNC(N)=[NH2+])ccc1C#N ZINC000766433438 585502374 /nfs/dbraw/zinc/50/23/74/585502374.db2.gz FJOQMCAKVYACRS-UHFFFAOYSA-N 1 0 201.233 0.684 20 30 BCEDRO C#CCCCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000766896582 585509927 /nfs/dbraw/zinc/50/99/27/585509927.db2.gz UBHSLSPITPTLAN-ZIAGYGMSSA-N 1 0 236.359 0.931 20 30 BCEDRO C#CCCC[NH+]1CCN(Cc2nccn2C)CC1 ZINC000766900662 585510444 /nfs/dbraw/zinc/51/04/44/585510444.db2.gz OEOSXLBUEKNARY-UHFFFAOYSA-N 1 0 246.358 0.951 20 30 BCEDRO C#CCCC[N@@H+](C)C[C@@H]1CCS(=O)(=O)C1 ZINC000766902526 585510716 /nfs/dbraw/zinc/51/07/16/585510716.db2.gz JUQQFRJCYNKVDJ-NSHDSACASA-N 1 0 229.345 0.766 20 30 BCEDRO C#CCCC[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000766906991 585511101 /nfs/dbraw/zinc/51/11/01/585511101.db2.gz NJMWKLQYFNYVLK-RYUDHWBXSA-N 1 0 208.305 0.415 20 30 BCEDRO C#CCCC[NH+]1CCN(CCC#N)CC1 ZINC000766938077 585512048 /nfs/dbraw/zinc/51/20/48/585512048.db2.gz PXMQXRUMYWRWGZ-UHFFFAOYSA-N 1 0 205.305 0.931 20 30 BCEDRO C[N@@H+]1CCN(CC(=O)NCCC#N)C(C)(C)C1 ZINC000766999418 585512700 /nfs/dbraw/zinc/51/27/00/585512700.db2.gz LWZMCWZFIIHXGX-UHFFFAOYSA-N 1 0 238.335 0.042 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(OC(C)=O)CC1 ZINC000767121134 585514521 /nfs/dbraw/zinc/51/45/21/585514521.db2.gz ZZFBXWMSWXYPDO-GFCCVEGCSA-N 1 0 227.304 0.951 20 30 BCEDRO CSC[C@@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000767904511 585528172 /nfs/dbraw/zinc/52/81/72/585528172.db2.gz ABSYSQODRMBQKI-JTQLQIEISA-N 1 0 241.360 0.844 20 30 BCEDRO C[C@@H]1CN(CC(=O)NCCC#N)[C@@H](C)C[N@@H+]1C ZINC000768765872 585542641 /nfs/dbraw/zinc/54/26/41/585542641.db2.gz VNXHLHZFULTWOG-MNOVXSKESA-N 1 0 238.335 0.041 20 30 BCEDRO C#CCOCCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@@H]1C ZINC000768845366 585544647 /nfs/dbraw/zinc/54/46/47/585544647.db2.gz HZQBAVVAVMRFEM-NEPJUHHUSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CC[NH+](CC#C)C1CCN(C(C)=O)CC1 ZINC000769443294 585556406 /nfs/dbraw/zinc/55/64/06/585556406.db2.gz UJBGXGAVZUOWQF-UHFFFAOYSA-N 1 0 218.300 0.566 20 30 BCEDRO COc1ccsc1C(C)=NNC(N)=[NH2+] ZINC000769775106 585563443 /nfs/dbraw/zinc/56/34/43/585563443.db2.gz PXUDMURWRCRLLN-UHFFFAOYSA-N 1 0 212.278 0.964 20 30 BCEDRO CCc1noc(C)c1C(C)=NNC(N)=[NH2+] ZINC000769795774 585563588 /nfs/dbraw/zinc/56/35/88/585563588.db2.gz QYVCQQXPBUSOJD-UHFFFAOYSA-N 1 0 209.253 0.752 20 30 BCEDRO C#C[C@@H](C)N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000769961858 585567482 /nfs/dbraw/zinc/56/74/82/585567482.db2.gz OENTUYRNSWAZJM-VXGBXAGGSA-N 1 0 210.321 0.397 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000771468172 585595125 /nfs/dbraw/zinc/59/51/25/585595125.db2.gz ZGLJHUBSVVFNBY-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO Cn1cc(C=NNC(N)=[NH2+])c(-c2ccccc2)n1 ZINC000771550234 585596030 /nfs/dbraw/zinc/59/60/30/585596030.db2.gz FLUFGDUIQARCNQ-UHFFFAOYSA-N 1 0 242.286 0.904 20 30 BCEDRO C#CCCOC(=O)[C@@H]1CN(CC)CCO1 ZINC000805467883 585619871 /nfs/dbraw/zinc/61/98/71/585619871.db2.gz BXWUKJDUUGENHL-JTQLQIEISA-N 1 0 211.261 0.274 20 30 BCEDRO C#C[C@H](NC(=O)[C@@H]1CC[N@@H+](C)C1)[C@@H]1CCCO1 ZINC000772882419 585626292 /nfs/dbraw/zinc/62/62/92/585626292.db2.gz WIQIUICBWHGDAW-WOPDTQHZSA-N 1 0 236.315 0.235 20 30 BCEDRO C#C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@H]1CCCO1 ZINC000772889045 585626437 /nfs/dbraw/zinc/62/64/37/585626437.db2.gz FYOVOCHGJLZXQY-QJPTWQEYSA-N 1 0 236.315 0.378 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000773590703 585640944 /nfs/dbraw/zinc/64/09/44/585640944.db2.gz JZXJGUZBQFTXRC-VHSXEESVSA-N 1 0 221.304 0.544 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000773596288 585641396 /nfs/dbraw/zinc/64/13/96/585641396.db2.gz ADJGIHPWVRHMCU-JQWIXIFHSA-N 1 0 235.331 0.792 20 30 BCEDRO CON=CC(=O)NCCC[NH+]1CCCCC1 ZINC000773725774 585643049 /nfs/dbraw/zinc/64/30/49/585643049.db2.gz CJJAYFBMYMVPBT-UHFFFAOYSA-N 1 0 227.308 0.611 20 30 BCEDRO CON=CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000773851595 585645015 /nfs/dbraw/zinc/64/50/15/585645015.db2.gz OTLVLKWKDZSJCH-VIFPVBQESA-N 1 0 225.292 0.219 20 30 BCEDRO CON=CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000773989008 585647898 /nfs/dbraw/zinc/64/78/98/585647898.db2.gz AKPFQFOVKGZNFB-ZJUUUORDSA-N 1 0 227.308 0.417 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](C)[C@@H]1C ZINC000774065573 585649336 /nfs/dbraw/zinc/64/93/36/585649336.db2.gz PDOFLDBADBIMOC-WDEREUQCSA-N 1 0 226.320 0.740 20 30 BCEDRO CON=CC(=O)NCCC[N@@H+]1CCCC[C@H]1C ZINC000774324597 585656472 /nfs/dbraw/zinc/65/64/72/585656472.db2.gz TWIKMGYWTVMAIO-LLVKDONJSA-N 1 0 241.335 0.999 20 30 BCEDRO CON=CC(=O)N[C@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000774404738 585657649 /nfs/dbraw/zinc/65/76/49/585657649.db2.gz UMWFWAAHWOZTCW-WDEREUQCSA-N 1 0 241.335 0.855 20 30 BCEDRO CON=CC(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000774410983 585657819 /nfs/dbraw/zinc/65/78/19/585657819.db2.gz RZDGXSDSWIYLKU-NSHDSACASA-N 1 0 241.335 0.855 20 30 BCEDRO CC[C@H](C)[N@H+](C)CCNC(=O)C=NOC ZINC000774415477 585658166 /nfs/dbraw/zinc/65/81/66/585658166.db2.gz ZHOBYHSBQHBZOQ-VIFPVBQESA-N 1 0 215.297 0.465 20 30 BCEDRO CON=CC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000774436534 585658938 /nfs/dbraw/zinc/65/89/38/585658938.db2.gz RHAUAEMBAKGILO-NSHDSACASA-N 1 0 239.319 0.563 20 30 BCEDRO CON=CC(=O)NC[C@@H]1CC[N@H+](CC(C)C)C1 ZINC000774438329 585659065 /nfs/dbraw/zinc/65/90/65/585659065.db2.gz VBXUGPOAVAMCCV-NSHDSACASA-N 1 0 241.335 0.713 20 30 BCEDRO COC(=O)[C@H](C)n1cccc1C=NNC(N)=[NH2+] ZINC000774588476 585661456 /nfs/dbraw/zinc/66/14/56/585661456.db2.gz BZKPHSFKUVCSJU-ZETCQYMHSA-N 1 0 237.263 0.039 20 30 BCEDRO C#C[C@H](C)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000775384846 585677103 /nfs/dbraw/zinc/67/71/03/585677103.db2.gz QLLLWDQMFNAOEM-UWVGGRQHSA-N 1 0 226.345 0.562 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C1([NH+](C)C)CCC1 ZINC000775564642 585679577 /nfs/dbraw/zinc/67/95/77/585679577.db2.gz SHADMKNNRDXZAE-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@H]1CCOCCN1CC(=O)NCCC#N ZINC000775569586 585680218 /nfs/dbraw/zinc/68/02/18/585680218.db2.gz NRTMEIRFOULWKU-JTQLQIEISA-N 1 0 225.292 0.127 20 30 BCEDRO C#C[C@H]([NH2+]CCN1CCOCC1)[C@@H]1CCCO1 ZINC000775789690 585684964 /nfs/dbraw/zinc/68/49/64/585684964.db2.gz MYBXQOBIFUHKFP-STQMWFEESA-N 1 0 238.331 0.089 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)C(=O)NC1CC1)[C@@H]1CCCO1 ZINC000775784280 585685023 /nfs/dbraw/zinc/68/50/23/585685023.db2.gz HKSBBQNYYAIVDA-USWWRNFRSA-N 1 0 236.315 0.424 20 30 BCEDRO C#C[C@H]([NH2+]CC[C@@H]1CCOC1=O)[C@H]1CCCO1 ZINC000775795631 585685291 /nfs/dbraw/zinc/68/52/91/585685291.db2.gz OOCCDQROZJAGNQ-GRYCIOLGSA-N 1 0 237.299 0.710 20 30 BCEDRO C#C[C@@H]([NH2+]CC1(O)CCOCC1)[C@@H]1CCCO1 ZINC000775794858 585685343 /nfs/dbraw/zinc/68/53/43/585685343.db2.gz KXEFQEKHTFISHF-NEPJUHHUSA-N 1 0 239.315 0.298 20 30 BCEDRO C[C@H](CO)N[NH+]=Cc1cnccc1N(C)C ZINC000776187435 585692140 /nfs/dbraw/zinc/69/21/40/585692140.db2.gz HVJZVARTAUSCAN-SECBINFHSA-N 1 0 222.292 0.452 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[NH+](C)C)[C@H]1CCCO1 ZINC000776228043 585693598 /nfs/dbraw/zinc/69/35/98/585693598.db2.gz NZEDDMYKMJZTAZ-GHMZBOCLSA-N 1 0 239.319 0.028 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2cnc(C)cn2)CC1 ZINC000776593109 585702189 /nfs/dbraw/zinc/70/21/89/585702189.db2.gz REXOXQRHMSPBBH-UHFFFAOYSA-N 1 0 244.342 0.926 20 30 BCEDRO C#CCC[NH+]1CCN(CCOCCOC)CC1 ZINC000776594764 585702259 /nfs/dbraw/zinc/70/22/59/585702259.db2.gz SLYRPUCJROLSGW-UHFFFAOYSA-N 1 0 240.347 0.290 20 30 BCEDRO C#CCCC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000776879995 585706419 /nfs/dbraw/zinc/70/64/19/585706419.db2.gz YLVZHKHCXJDTPB-LLVKDONJSA-N 1 0 204.277 0.938 20 30 BCEDRO C[C@H]1CC(NC(=O)C2([NH+](C)C)CCC2)=NO1 ZINC000777436343 585712018 /nfs/dbraw/zinc/71/20/18/585712018.db2.gz PMUMZQIOXZTTOY-QMMMGPOBSA-N 1 0 225.292 0.709 20 30 BCEDRO C[C@@H]1CC(NC(=O)C2([NH+](C)C)CCC2)=NO1 ZINC000777436342 585712106 /nfs/dbraw/zinc/71/21/06/585712106.db2.gz PMUMZQIOXZTTOY-MRVPVSSYSA-N 1 0 225.292 0.709 20 30 BCEDRO CC(C[NH+]1CCCCCC1)=NOCC(N)=O ZINC000777443507 585712479 /nfs/dbraw/zinc/71/24/79/585712479.db2.gz WITMTIGQOGOSKL-UHFFFAOYSA-N 1 0 227.308 0.740 20 30 BCEDRO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCC[C@@H]1O ZINC000778247760 585729149 /nfs/dbraw/zinc/72/91/49/585729149.db2.gz XTMDRMNKXORASZ-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000778296280 585730473 /nfs/dbraw/zinc/73/04/73/585730473.db2.gz VHLSEPDQPNNSML-QWRGUYRKSA-N 1 0 208.305 0.986 20 30 BCEDRO C#CC(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000778408852 585734286 /nfs/dbraw/zinc/73/42/86/585734286.db2.gz DTTXTZJTERJXER-JTQLQIEISA-N 1 0 208.305 0.808 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@@]1(CO)CC[C@@H](C)C1 ZINC000778426114 585734427 /nfs/dbraw/zinc/73/44/27/585734427.db2.gz CBTVSJNIGRKZTF-YPMHNXCESA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=S)NCC1(C)CC[NH+](C)CC1 ZINC000779720570 585759707 /nfs/dbraw/zinc/75/97/07/585759707.db2.gz LLRPGEFJBADMSS-UHFFFAOYSA-N 1 0 239.388 0.816 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cncs1 ZINC000779793420 585763495 /nfs/dbraw/zinc/76/34/95/585763495.db2.gz TVKXVBFUFJVJQK-ZCFIWIBFSA-N 1 0 223.305 0.804 20 30 BCEDRO CC(Cc1ccncc1)=NNC1=[NH+][C@@H](C)CN1 ZINC000779791694 585763903 /nfs/dbraw/zinc/76/39/03/585763903.db2.gz FLUHKYLCTGYLFG-JTQLQIEISA-N 1 0 231.303 0.937 20 30 BCEDRO Cc1noc(C)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779792319 585763934 /nfs/dbraw/zinc/76/39/34/585763934.db2.gz LEOZINWFHBJJSJ-ZCFIWIBFSA-N 1 0 221.264 0.563 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccccn2)N1 ZINC000779792978 585763961 /nfs/dbraw/zinc/76/39/61/585763961.db2.gz QFSLXZVWDPBFSU-QMMMGPOBSA-N 1 0 203.249 0.353 20 30 BCEDRO CCn1ccnc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779793314 585764000 /nfs/dbraw/zinc/76/40/00/585764000.db2.gz ZROPSVAVPKHRTI-QMMMGPOBSA-N 1 0 220.280 0.174 20 30 BCEDRO COc1cccc(C=NNC2=[NH+]C[C@@H](C)N2)c1 ZINC000779795492 585764379 /nfs/dbraw/zinc/76/43/79/585764379.db2.gz UXWUHFWYQVKMJO-SECBINFHSA-N 1 0 232.287 0.966 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnn(C(C)(C)C)c2)N1 ZINC000779795327 585764473 /nfs/dbraw/zinc/76/44/73/585764473.db2.gz SENOSMLVQYBTEX-SECBINFHSA-N 1 0 248.334 0.909 20 30 BCEDRO CCC(=NNC1=[NH+][C@H](C)CN1)[C@@H]1CCOC1 ZINC000779801396 585764544 /nfs/dbraw/zinc/76/45/44/585764544.db2.gz SZJHGJKNKBOUQM-RKDXNWHRSA-N 1 0 224.308 0.726 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]C[C@@H](C)N2)cc1O ZINC000779802232 585765032 /nfs/dbraw/zinc/76/50/32/585765032.db2.gz CMRNCRPLNXEETN-MRVPVSSYSA-N 1 0 248.286 0.672 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2c(Cl)cnn2C)N1 ZINC000780242948 585774637 /nfs/dbraw/zinc/77/46/37/585774637.db2.gz JYTQDQHFAOWVOR-LURJTMIESA-N 1 0 240.698 0.345 20 30 BCEDRO C=CCCS(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000780868200 585785591 /nfs/dbraw/zinc/78/55/91/585785591.db2.gz VUHVATUKNSOVDY-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H]1CCC=CO1 ZINC000781474076 585796651 /nfs/dbraw/zinc/79/66/51/585796651.db2.gz AGJGFHZXUXLRME-STQMWFEESA-N 1 0 248.326 0.893 20 30 BCEDRO Cc1cccnc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000781595225 585800075 /nfs/dbraw/zinc/80/00/75/585800075.db2.gz NRJUZPQKJJPZSP-VIFPVBQESA-N 1 0 217.276 0.661 20 30 BCEDRO C[NH+](C)CC(=O)NCc1ccc(C#N)cn1 ZINC000782026785 585807013 /nfs/dbraw/zinc/80/70/13/585807013.db2.gz WZPAKCFCNLUJSM-UHFFFAOYSA-N 1 0 218.260 0.131 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)NCc2ccc(C#N)cn2)C1 ZINC000782026144 585807080 /nfs/dbraw/zinc/80/70/80/585807080.db2.gz BQRJIRSYHNOYMT-LLVKDONJSA-N 1 0 244.298 0.521 20 30 BCEDRO C#CCNC(=O)C[N@@H+]([C@H](C)CO)C1CCCC1 ZINC000805751781 585842725 /nfs/dbraw/zinc/84/27/25/585842725.db2.gz PLZLCTYMHCKUSZ-LLVKDONJSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCNC(=O)C[N@@H+]([C@@H](C)CO)C1CCCC1 ZINC000805751782 585842908 /nfs/dbraw/zinc/84/29/08/585842908.db2.gz PLZLCTYMHCKUSZ-NSHDSACASA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCNC(=O)CN1CCC2(CCC[N@H+]2C)CC1 ZINC000784254334 585853517 /nfs/dbraw/zinc/85/35/17/585853517.db2.gz JAYSGKGHEVMISD-UHFFFAOYSA-N 1 0 249.358 0.296 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H](C)CC[NH+](C)C ZINC000784359650 585856994 /nfs/dbraw/zinc/85/69/94/585856994.db2.gz DFNQFHZLONEIRD-NSHDSACASA-N 1 0 241.335 0.276 20 30 BCEDRO C[NH+](C)CCNC(=S)N1CC[C@@](F)(C#N)C1 ZINC000786090986 585887088 /nfs/dbraw/zinc/88/70/88/585887088.db2.gz NPHMEHCWNQBOAJ-SNVBAGLBSA-N 1 0 244.339 0.360 20 30 BCEDRO C=CCC[N@H+](C)CCCOC(=O)NC(N)=O ZINC000786447284 585890948 /nfs/dbraw/zinc/89/09/48/585890948.db2.gz VKVOELKMNRPXSG-UHFFFAOYSA-N 1 0 229.280 0.689 20 30 BCEDRO C=CCNC(=S)N1CC[NH+]2CCC1CC2 ZINC000787200275 585902739 /nfs/dbraw/zinc/90/27/39/585902739.db2.gz YLPDCIZGXVPOOE-UHFFFAOYSA-N 1 0 225.361 0.827 20 30 BCEDRO C=CCC[N@@H+](C)CN1C[C@H](OC)CC1=O ZINC000787235085 585903408 /nfs/dbraw/zinc/90/34/08/585903408.db2.gz LYWHGTVVEZECSQ-SNVBAGLBSA-N 1 0 212.293 0.699 20 30 BCEDRO N#CCCNC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000787371880 585908290 /nfs/dbraw/zinc/90/82/90/585908290.db2.gz XCICOJXRPOYPSA-LLVKDONJSA-N 1 0 236.319 0.684 20 30 BCEDRO CN(CCC(=O)NCCC#N)c1cc[nH+]cc1 ZINC000787619211 585912959 /nfs/dbraw/zinc/91/29/59/585912959.db2.gz SGCZDFDOHBVWRQ-UHFFFAOYSA-N 1 0 232.287 0.938 20 30 BCEDRO N#CCCNC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000787630136 585913417 /nfs/dbraw/zinc/91/34/17/585913417.db2.gz VGBTZMYTGVSYSS-NSHDSACASA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCN1CCN(C(=O)CC(C)(C)C#N)CC1 ZINC000787992538 585918466 /nfs/dbraw/zinc/91/84/66/585918466.db2.gz FBSARKNJMFLDQD-UHFFFAOYSA-N 1 0 233.315 0.704 20 30 BCEDRO C[N@@H+]1CCCC(=NN[C@H]2CCOC2)CC1 ZINC000788452567 585922860 /nfs/dbraw/zinc/92/28/60/585922860.db2.gz PDVCZBYFIMEWBF-NSHDSACASA-N 1 0 211.309 0.837 20 30 BCEDRO C[C@@H](CO)NN=C1CCC[C@H]([NH+](C)C)C1 ZINC000788434006 585923259 /nfs/dbraw/zinc/92/32/59/585923259.db2.gz PRBAVMMXXRPWIX-ONGXEEELSA-N 1 0 213.325 0.817 20 30 BCEDRO C[C@@H]1C[N@@H+](C2CC2)CC1N=N[C@H]1CCOC1 ZINC000788440243 585923633 /nfs/dbraw/zinc/92/36/33/585923633.db2.gz GFKBWYKDFSUHBY-ZJUUUORDSA-N 1 0 223.320 0.835 20 30 BCEDRO C#CC(=O)N(CC)CCC[NH+]1CCCC1 ZINC000788547856 585926759 /nfs/dbraw/zinc/92/67/59/585926759.db2.gz MALONTKAGVDRNF-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000790052373 585956658 /nfs/dbraw/zinc/95/66/58/585956658.db2.gz ZCOJNGZFFBTUJX-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cn(C(C)(C)C)nn2)N1 ZINC000790174287 585959441 /nfs/dbraw/zinc/95/94/41/585959441.db2.gz ROIAMEVTOYFCMZ-MRVPVSSYSA-N 1 0 249.322 0.304 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000791375073 585979557 /nfs/dbraw/zinc/97/95/57/585979557.db2.gz HXXPYQYKZGPTGL-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO C#CCCS(=O)(=O)NC[C@@H](C)[NH+](CC)CC ZINC000791424050 585981154 /nfs/dbraw/zinc/98/11/54/585981154.db2.gz ZEACSJHAUNJQPW-LLVKDONJSA-N 1 0 246.376 0.659 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000792926612 586006968 /nfs/dbraw/zinc/00/69/68/586006968.db2.gz MXMSCHNBGOWBBV-VXGBXAGGSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CCNC(=S)NC[C@@H](C)C[NH+](C)C ZINC000793259873 586015338 /nfs/dbraw/zinc/01/53/38/586015338.db2.gz GICVXZXNXHOFEF-SECBINFHSA-N 1 0 215.366 0.834 20 30 BCEDRO CC#CC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000793359747 586017545 /nfs/dbraw/zinc/01/75/45/586017545.db2.gz XQOSWFIHONDBII-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO CC#CC(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000793927459 586028889 /nfs/dbraw/zinc/02/88/89/586028889.db2.gz GPTSQHQXWVJNIP-WDEREUQCSA-N 1 0 206.289 0.420 20 30 BCEDRO C=C(CO)C(=O)N[C@H](C)C[N@@H+](CC)CCC ZINC000794218209 586035567 /nfs/dbraw/zinc/03/55/67/586035567.db2.gz VWCPNZWYJPWTFZ-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccnn1-c1ccc(F)cc1 ZINC000794488754 586040724 /nfs/dbraw/zinc/04/07/24/586040724.db2.gz LKVHYXMYCWWVKB-UHFFFAOYSA-N 1 0 246.249 0.828 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCOC[C@H]2C)=[NH+]1 ZINC000794531176 586042265 /nfs/dbraw/zinc/04/22/65/586042265.db2.gz RWQDCLPKRWIDCP-HTQZYQBOSA-N 1 0 210.281 0.336 20 30 BCEDRO C[C@H]1CNC(NN=C2CCOC[C@@H]2C)=[NH+]1 ZINC000794531182 586042366 /nfs/dbraw/zinc/04/23/66/586042366.db2.gz RWQDCLPKRWIDCP-YUMQZZPRSA-N 1 0 210.281 0.336 20 30 BCEDRO C[C@H]1CNC(NN=C2CSC[C@H]2C)=[NH+]1 ZINC000794927719 586055963 /nfs/dbraw/zinc/05/59/63/586055963.db2.gz PREAOIOLXBJSAY-RQJHMYQMSA-N 1 0 212.322 0.663 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccnc(F)c1 ZINC000794927992 586056032 /nfs/dbraw/zinc/05/60/32/586056032.db2.gz RAWNKPLFHVSYGT-SSDOTTSWSA-N 1 0 235.266 0.882 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)C[C@H](C)OC ZINC000795049599 586066926 /nfs/dbraw/zinc/06/69/26/586066926.db2.gz GPNLOSXFWMJIEL-NSHDSACASA-N 1 0 228.336 0.988 20 30 BCEDRO CC[N@@H+]1CCN(CCO[C@@H](C)C#N)[C@H](C)C1 ZINC000796325948 586100906 /nfs/dbraw/zinc/10/09/06/586100906.db2.gz XBSJENQAKFZCLQ-NEPJUHHUSA-N 1 0 225.336 0.941 20 30 BCEDRO COCC#CC[NH2+]C(C)(C)C(=O)N1CCCC1 ZINC000796578243 586107486 /nfs/dbraw/zinc/10/74/86/586107486.db2.gz ULARAGXVQYMGQW-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ncc[nH]1 ZINC000798291493 586142262 /nfs/dbraw/zinc/14/22/62/586142262.db2.gz TUTUJRVTIABONX-UHFFFAOYSA-N 1 0 208.265 0.144 20 30 BCEDRO Cn1cc([C@H](O)C[NH2+][C@@H]2CC[C@@H](C#N)C2)cn1 ZINC000799718664 586193618 /nfs/dbraw/zinc/19/36/18/586193618.db2.gz JABHCXCCDAZTTH-YUSALJHKSA-N 1 0 234.303 0.735 20 30 BCEDRO C#CCCN(CCOC)Cc1cncc(OC)n1 ZINC000859360214 589034225 /nfs/dbraw/zinc/03/42/25/589034225.db2.gz AWEZVGFWSTWCKF-UHFFFAOYSA-N 1 0 249.314 0.957 20 30 BCEDRO CC#CC(=O)N[C@@H]1CCC[N@@H+](CCOC)C1 ZINC000801151994 586243584 /nfs/dbraw/zinc/24/35/84/586243584.db2.gz DWLXZVRCQMGZDT-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO CC#CC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000801180321 586245572 /nfs/dbraw/zinc/24/55/72/586245572.db2.gz VSXYQHCXXZHTIR-MNOVXSKESA-N 1 0 208.305 0.951 20 30 BCEDRO CC#CC(=O)N1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000801217536 586248438 /nfs/dbraw/zinc/24/84/38/586248438.db2.gz XTDWUPFGPNBJTO-NSHDSACASA-N 1 0 238.331 0.313 20 30 BCEDRO CC#CC(=O)NCCC[N@@H+]1CCCO[C@@H](C)C1 ZINC000801243938 586250361 /nfs/dbraw/zinc/25/03/61/586250361.db2.gz APJPGMFUFWYWEI-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)CCN1CCOCC1 ZINC000801917438 586276819 /nfs/dbraw/zinc/27/68/19/586276819.db2.gz COECYOJLSDPSGG-GFCCVEGCSA-N 1 0 241.335 0.179 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)C1(C(N)=O)CCCC1 ZINC000801935792 586279151 /nfs/dbraw/zinc/27/91/51/586279151.db2.gz FOBGZCHJELXKAX-JTQLQIEISA-N 1 0 239.319 0.645 20 30 BCEDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCO[C@@H](C)C#N ZINC000801943847 586281222 /nfs/dbraw/zinc/28/12/22/586281222.db2.gz JQMAMGFOSRLIRA-SDDRHHMPSA-N 1 0 242.319 0.699 20 30 BCEDRO CC[C@@]1(O)CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801946078 586281734 /nfs/dbraw/zinc/28/17/34/586281734.db2.gz KWCPCZPGRQBMCU-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO CC[C@]1(O)CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801946077 586281931 /nfs/dbraw/zinc/28/19/31/586281931.db2.gz KWCPCZPGRQBMCU-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO COCCO[C@@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801947665 586282375 /nfs/dbraw/zinc/28/23/75/586282375.db2.gz YSNYLVQZOQQNTC-VXGBXAGGSA-N 1 0 242.319 0.652 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000801952231 586282712 /nfs/dbraw/zinc/28/27/12/586282712.db2.gz QEZCLXDGKLIGML-PWSUYJOCSA-N 1 0 237.303 0.127 20 30 BCEDRO CC[N@H+](CCO[C@@H](C)C#N)[C@@H]1CCNC1=O ZINC000801953329 586283805 /nfs/dbraw/zinc/28/38/05/586283805.db2.gz MSMULLHWSIAHQU-VHSXEESVSA-N 1 0 225.292 0.125 20 30 BCEDRO CC(C)C(Cn1cccn1)=NNC1=[NH+][C@H](C)CN1 ZINC000802712524 586310869 /nfs/dbraw/zinc/31/08/69/586310869.db2.gz PNNVEXZJASLRMO-SNVBAGLBSA-N 1 0 248.334 0.832 20 30 BCEDRO C#CCC[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000859556097 589045185 /nfs/dbraw/zinc/04/51/85/589045185.db2.gz DWWGTEIEMSHQNX-NSHDSACASA-N 1 0 211.261 0.274 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CSC[C@H]1C ZINC000804499679 586397738 /nfs/dbraw/zinc/39/77/38/586397738.db2.gz GOWAHBPIHMXDHF-NXEZZACHSA-N 1 0 228.361 0.972 20 30 BCEDRO C#CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804526376 586398101 /nfs/dbraw/zinc/39/81/01/586398101.db2.gz QDFGOBQKCQXMKS-WDEREUQCSA-N 1 0 206.289 0.705 20 30 BCEDRO CN(C)c1cc[nH+]cc1C=[NH+][N-]c1nnc[nH]1 ZINC000807995691 586456002 /nfs/dbraw/zinc/45/60/02/586456002.db2.gz LHIFQDGTLHVVEW-UHFFFAOYSA-N 1 0 231.263 0.712 20 30 BCEDRO C[C@H]1C[N@@H+](C2CC2)CC1N=Nc1nc[nH]n1 ZINC000807996997 586456202 /nfs/dbraw/zinc/45/62/02/586456202.db2.gz BAMWMRPOEXOYPT-ZETCQYMHSA-N 1 0 220.280 0.687 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@](CO)(CCC)C1 ZINC000808796193 586490181 /nfs/dbraw/zinc/49/01/81/586490181.db2.gz GVYNCQHCRYAYML-ZDUSSCGKSA-N 1 0 238.331 0.220 20 30 BCEDRO C[N@H+](CCc1ccncc1)C[C@H](O)CC#N ZINC000809576074 586507851 /nfs/dbraw/zinc/50/78/51/586507851.db2.gz HLRMSJHWNUUNKP-GFCCVEGCSA-N 1 0 219.288 0.830 20 30 BCEDRO CON=CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000809602897 586509118 /nfs/dbraw/zinc/50/91/18/586509118.db2.gz CVSQGIXCDJDKBL-VIFPVBQESA-N 1 0 213.281 0.219 20 30 BCEDRO CON=CC(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000809619356 586509343 /nfs/dbraw/zinc/50/93/43/586509343.db2.gz SVZPUQNCHBPLEI-SNVBAGLBSA-N 1 0 227.308 0.609 20 30 BCEDRO CC[NH+](CC)C[C@H](C)NC(=O)C=NOC ZINC000809630107 586509678 /nfs/dbraw/zinc/50/96/78/586509678.db2.gz LQSYVNJLOSZUKO-VIFPVBQESA-N 1 0 215.297 0.465 20 30 BCEDRO CC[N@H+](CCNC(=O)C=NOC)C(C)C ZINC000809648332 586510553 /nfs/dbraw/zinc/51/05/53/586510553.db2.gz KMSDGCXGVKPVRC-UHFFFAOYSA-N 1 0 215.297 0.465 20 30 BCEDRO CON=CC(=O)Nc1cnn(-c2cc[nH+]cc2)c1 ZINC000809648902 586510863 /nfs/dbraw/zinc/51/08/63/586510863.db2.gz MLYGYXVCQCAORM-UHFFFAOYSA-N 1 0 245.242 0.838 20 30 BCEDRO CON=CC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000809691209 586512882 /nfs/dbraw/zinc/51/28/82/586512882.db2.gz CYAPNDCHRQRWTN-UHFFFAOYSA-N 1 0 227.308 0.419 20 30 BCEDRO CON=CC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000809693153 586513434 /nfs/dbraw/zinc/51/34/34/586513434.db2.gz OTTOQKTTYRHEJK-VIFPVBQESA-N 1 0 215.297 0.321 20 30 BCEDRO CCO[C@H](CC[NH+](C)C)CNC(=O)C=NOC ZINC000809714006 586514431 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ZINC000818179382 586878912 /nfs/dbraw/zinc/87/89/12/586878912.db2.gz ZRRHWFKTFMIPIW-GFCCVEGCSA-N 1 0 239.319 0.563 20 30 BCEDRO C=CCOCC(=O)N(C)C1CCC([NH3+])CC1 ZINC000818528778 586897910 /nfs/dbraw/zinc/89/79/10/586897910.db2.gz HFTIRLFTBGDTJB-UHFFFAOYSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCNC(=O)COC(=O)Cn1cncc1C ZINC000859950981 589073946 /nfs/dbraw/zinc/07/39/46/589073946.db2.gz IUSQMDGNJKJOKV-UHFFFAOYSA-N 1 0 237.259 0.037 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1c[nH]nc1CC ZINC000818602942 586904609 /nfs/dbraw/zinc/90/46/09/586904609.db2.gz KAAPSNVJDBZXPI-UHFFFAOYSA-N 1 0 248.330 0.657 20 30 BCEDRO CCNC(NCC(=O)OC(C)(C)C)=[NH+]CC ZINC000117106118 589075037 /nfs/dbraw/zinc/07/50/37/589075037.db2.gz JNYDBFBMDCECJR-UHFFFAOYSA-N 1 0 229.324 0.903 20 30 BCEDRO C=CCSCC[NH2+]CCC(=O)N(C)OC ZINC000818984162 586919813 /nfs/dbraw/zinc/91/98/13/586919813.db2.gz YZBKBGKNICGEEU-UHFFFAOYSA-N 1 0 232.349 0.905 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@]1(O)CCC[C@@H]1C ZINC000818991812 586920623 /nfs/dbraw/zinc/92/06/23/586920623.db2.gz FMQLVZLHFWADES-WCQYABFASA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCN1CCC([NH2+]C[C@@H](O)C2CC2)CC1 ZINC000819022368 586924122 /nfs/dbraw/zinc/92/41/22/586924122.db2.gz KSMLQXBENFKYKX-CYBMUJFWSA-N 1 0 224.348 0.997 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOc1cccnc1 ZINC000819070328 586929202 /nfs/dbraw/zinc/92/92/02/586929202.db2.gz ZKGWVLQIXKFLHA-UHFFFAOYSA-N 1 0 247.298 0.190 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)c1ccncc1 ZINC000819132541 586932384 /nfs/dbraw/zinc/93/23/84/586932384.db2.gz FHLVHOFULYTRAP-GFCCVEGCSA-N 1 0 245.326 0.914 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1ccc[nH]1 ZINC000819194363 586937024 /nfs/dbraw/zinc/93/70/24/586937024.db2.gz QNPWEIJKKDKPIA-SNVBAGLBSA-N 1 0 219.288 0.805 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOC(C)C ZINC000819225956 586940729 /nfs/dbraw/zinc/94/07/29/586940729.db2.gz JXJZPUHCAQVBAP-UHFFFAOYSA-N 1 0 212.293 0.141 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC000819282453 586947913 /nfs/dbraw/zinc/94/79/13/586947913.db2.gz FBLRQNMWFXYQBV-WDEREUQCSA-N 1 0 247.360 0.602 20 30 BCEDRO CCS(=O)(=O)CC[NH2+]CC(C)(C)CC#N ZINC000819363823 586956831 /nfs/dbraw/zinc/95/68/31/586956831.db2.gz OMRZBNXKUXWHPZ-UHFFFAOYSA-N 1 0 232.349 0.951 20 30 BCEDRO CS[C@@H]1CCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000819811811 586997500 /nfs/dbraw/zinc/99/75/00/586997500.db2.gz CMUZLUKRKCFNTP-POYBYMJQSA-N 1 0 212.322 0.805 20 30 BCEDRO COCCN(C)[NH+]=Cc1ccncc1N ZINC000819813697 586997877 /nfs/dbraw/zinc/99/78/77/586997877.db2.gz RMSNNNXSBJMRJC-UHFFFAOYSA-N 1 0 208.265 0.576 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000820401062 587046460 /nfs/dbraw/zinc/04/64/60/587046460.db2.gz VNISIXHNTRXMMP-GHMZBOCLSA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000820417120 587047390 /nfs/dbraw/zinc/04/73/90/587047390.db2.gz OZJMALKWGCAGEU-SNVBAGLBSA-N 1 0 211.309 0.601 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)CCC[NH+](C)C ZINC000820417119 587047430 /nfs/dbraw/zinc/04/74/30/587047430.db2.gz OZJMALKWGCAGEU-JTQLQIEISA-N 1 0 211.309 0.601 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)CC[NH+]1CCCC1 ZINC000820436232 587049045 /nfs/dbraw/zinc/04/90/45/587049045.db2.gz UOZYVBWQVRABAL-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCN(CC#C)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000820456782 587050216 /nfs/dbraw/zinc/05/02/16/587050216.db2.gz FHANTMGDNNFASQ-GFCCVEGCSA-N 1 0 218.300 0.423 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](O)CCC ZINC000820687908 587065125 /nfs/dbraw/zinc/06/51/25/587065125.db2.gz DWRSXZYRFCGBAT-NSHDSACASA-N 1 0 226.320 0.219 20 30 BCEDRO C[C@H]1CC(NC(=O)C2(C[NH+](C)C)CC2)=NO1 ZINC000821399727 587117158 /nfs/dbraw/zinc/11/71/58/587117158.db2.gz PIWISYNVTWPFEP-QMMMGPOBSA-N 1 0 225.292 0.567 20 30 BCEDRO C[C@@H]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)=NO1 ZINC000821399487 587117232 /nfs/dbraw/zinc/11/72/32/587117232.db2.gz JZXYIIXZNGSCPH-RKDXNWHRSA-N 1 0 225.292 0.567 20 30 BCEDRO C[C@H]1CC(NC(=O)C[C@H]2CC[N@H+](C)C2)=NO1 ZINC000821399485 587117304 /nfs/dbraw/zinc/11/73/04/587117304.db2.gz JZXYIIXZNGSCPH-DTWKUNHWSA-N 1 0 225.292 0.567 20 30 BCEDRO C=CCOCCNC(=O)C[NH+]1CCCC1 ZINC000821802166 587139224 /nfs/dbraw/zinc/13/92/24/587139224.db2.gz PEVQFOUCJFUFNU-UHFFFAOYSA-N 1 0 212.293 0.401 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000822472367 587170123 /nfs/dbraw/zinc/17/01/23/587170123.db2.gz JIJBMZHIKCDTAT-SNVBAGLBSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000822679407 587180780 /nfs/dbraw/zinc/18/07/80/587180780.db2.gz HSVMWFBHHVQMBN-CYBMUJFWSA-N 1 0 245.326 0.989 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000822954138 587195227 /nfs/dbraw/zinc/19/52/27/587195227.db2.gz ULSRZCNYEJDUME-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H](C)[NH+]1CCCCC1 ZINC000822954140 587195264 /nfs/dbraw/zinc/19/52/64/587195264.db2.gz ULSRZCNYEJDUME-YPMHNXCESA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000822954137 587195484 /nfs/dbraw/zinc/19/54/84/587195484.db2.gz ULSRZCNYEJDUME-AAEUAGOBSA-N 1 0 240.347 0.914 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000823054797 587200135 /nfs/dbraw/zinc/20/01/35/587200135.db2.gz CYXJZZHBODSGGO-QWRGUYRKSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(C)CC[NH+]1CCCC1 ZINC000823091306 587201929 /nfs/dbraw/zinc/20/19/29/587201929.db2.gz IEZILKXQJBSCQS-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1[nH]cnc1C ZINC000823187863 587207862 /nfs/dbraw/zinc/20/78/62/587207862.db2.gz KVWLUESFJVWYCY-UHFFFAOYSA-N 1 0 234.303 0.403 20 30 BCEDRO C=CCCc1noc(C[C@@H]2COCC[NH2+]2)n1 ZINC000823263136 587212445 /nfs/dbraw/zinc/21/24/45/587212445.db2.gz DCIBYCSBCMUVBC-SECBINFHSA-N 1 0 223.276 0.719 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000823313648 587216002 /nfs/dbraw/zinc/21/60/02/587216002.db2.gz BRDKMWQOCPHGRB-PWSUYJOCSA-N 1 0 236.315 0.114 20 30 BCEDRO C#C[C@@H](CO)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000823315731 587216235 /nfs/dbraw/zinc/21/62/35/587216235.db2.gz RSTYUWWCOJZWHM-JTQLQIEISA-N 1 0 226.320 0.075 20 30 BCEDRO CC(C)C#CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000823662252 587235373 /nfs/dbraw/zinc/23/53/73/587235373.db2.gz BCYZQZBHSUGJIN-LLVKDONJSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@@H]1CCc2cncn2C1 ZINC000824116465 587256616 /nfs/dbraw/zinc/25/66/16/587256616.db2.gz LCAPACBZAARHHB-GHMZBOCLSA-N 1 0 247.298 0.352 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CSC[C@H]1C ZINC000824142128 587257462 /nfs/dbraw/zinc/25/74/62/587257462.db2.gz JWKXYMYGNQDVEK-ZJUUUORDSA-N 1 0 249.401 0.928 20 30 BCEDRO C#C[C@@H]1CCCN(C(=O)C[NH+]2CCCC2)C1 ZINC000824290407 587264938 /nfs/dbraw/zinc/26/49/38/587264938.db2.gz LYOVARZYNPMRKN-GFCCVEGCSA-N 1 0 220.316 0.954 20 30 BCEDRO N#CCC1CN(C(=O)C[NH+]2CCCC2)C1 ZINC000824444469 587271041 /nfs/dbraw/zinc/27/10/41/587271041.db2.gz ZKHCYYBXOHDTRS-UHFFFAOYSA-N 1 0 207.277 0.454 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000825080832 587303141 /nfs/dbraw/zinc/30/31/41/587303141.db2.gz XSXWURNLZXMFSS-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[NH2+]C(C)(C)C ZINC000825985093 587347834 /nfs/dbraw/zinc/34/78/34/587347834.db2.gz XTROHHLYHYAMFR-SNVBAGLBSA-N 1 0 226.320 0.529 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000826085443 587350689 /nfs/dbraw/zinc/35/06/89/587350689.db2.gz FGJQDSNMDXYZBX-NEPJUHHUSA-N 1 0 238.331 0.577 20 30 BCEDRO COCC[N@@H+]1CC[C@H](NC(=O)C#CC(C)C)C1 ZINC000826797357 587362535 /nfs/dbraw/zinc/36/25/35/587362535.db2.gz RSGCZBCIFBXSEI-LBPRGKRZSA-N 1 0 238.331 0.483 20 30 BCEDRO CC#CC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827266353 587374657 /nfs/dbraw/zinc/37/46/57/587374657.db2.gz KBSLFBIJYMOYBH-GHMZBOCLSA-N 1 0 206.289 0.562 20 30 BCEDRO C#CCN1CCN(C(=O)[C@H](C)CC#N)CC1 ZINC000827526276 587386180 /nfs/dbraw/zinc/38/61/80/587386180.db2.gz JLLHLIAOYDOUQU-LLVKDONJSA-N 1 0 219.288 0.314 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1cn[nH]c1)C1CCOCC1 ZINC000827555278 587387448 /nfs/dbraw/zinc/38/74/48/587387448.db2.gz QXBVMIXOALJXIE-GFCCVEGCSA-N 1 0 219.288 0.928 20 30 BCEDRO C#C[C@@H]([NH2+][C@@H]1CCOC1)C1CCOCC1 ZINC000827565555 587388869 /nfs/dbraw/zinc/38/88/69/587388869.db2.gz MXCIJHMFQZXQLC-VXGBXAGGSA-N 1 0 209.289 0.793 20 30 BCEDRO C#Cc1cnc(N2CC([NH+](C)C)C2)nc1 ZINC000827834175 587404808 /nfs/dbraw/zinc/40/48/08/587404808.db2.gz GQIHBXYNRINASB-UHFFFAOYSA-N 1 0 202.261 0.208 20 30 BCEDRO Cc1oc(C=O)cc1C(=O)NCC#CC[NH+](C)C ZINC000827972183 587414097 /nfs/dbraw/zinc/41/40/97/587414097.db2.gz UYDVPNPWNGXWEX-UHFFFAOYSA-N 1 0 248.282 0.695 20 30 BCEDRO C#CCSCCNC(=O)C1([NH+](C)C)CC1 ZINC000828459446 587443691 /nfs/dbraw/zinc/44/36/91/587443691.db2.gz MNHKAPHFXAPOHM-UHFFFAOYSA-N 1 0 226.345 0.563 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](O)C=C)CC1 ZINC000828478771 587444894 /nfs/dbraw/zinc/44/48/94/587444894.db2.gz ZPUXXXIKMOYBJF-GFCCVEGCSA-N 1 0 236.315 0.137 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000828839426 587465856 /nfs/dbraw/zinc/46/58/56/587465856.db2.gz BMLVOPXAGPFSRU-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CCC)[C@H]1CCCO1 ZINC000828954184 587475356 /nfs/dbraw/zinc/47/53/56/587475356.db2.gz QMFHQMFOSLOJGV-GRYCIOLGSA-N 1 0 211.305 0.918 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000829706016 587510804 /nfs/dbraw/zinc/51/08/04/587510804.db2.gz XOYQHZZEHPATKZ-MDZLAQPJSA-N 1 0 240.347 0.912 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC000829768286 587514490 /nfs/dbraw/zinc/51/44/90/587514490.db2.gz BIBNMJXSOHPUBR-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C[C@H](C#N)OCCN(C1CC1)C1COC1 ZINC000830240578 587543615 /nfs/dbraw/zinc/54/36/15/587543615.db2.gz CSCCOXXTBJMJQA-SECBINFHSA-N 1 0 210.277 0.778 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1nc(OCC)n[nH]1 ZINC000830399430 587549940 /nfs/dbraw/zinc/54/99/40/587549940.db2.gz GKXXXUCWWNBXLS-UHFFFAOYSA-N 1 0 239.279 0.260 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000830923029 587577619 /nfs/dbraw/zinc/57/76/19/587577619.db2.gz ZHJGYWUUGVSUDW-VWYCJHECSA-N 1 0 240.303 0.354 20 30 BCEDRO C#CCCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000831080223 587585390 /nfs/dbraw/zinc/58/53/90/587585390.db2.gz UIBLQJLVPDQUIL-LLVKDONJSA-N 1 0 209.293 0.451 20 30 BCEDRO C#CCCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000831151666 587587941 /nfs/dbraw/zinc/58/79/41/587587941.db2.gz ZVOLWSVMJKKYMZ-ZJUUUORDSA-N 1 0 211.309 0.825 20 30 BCEDRO N#CCCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000831155070 587588292 /nfs/dbraw/zinc/58/82/92/587588292.db2.gz CYQKUCNLMPVZIY-UHFFFAOYSA-N 1 0 232.287 0.858 20 30 BCEDRO C=CCONC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000831172706 587588779 /nfs/dbraw/zinc/58/87/79/587588779.db2.gz MITISEIYNAWBGO-HTQZYQBOSA-N 1 0 201.270 0.529 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831186703 587590530 /nfs/dbraw/zinc/59/05/30/587590530.db2.gz RJYRUCBLIODBGI-MNOVXSKESA-N 1 0 235.331 0.792 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831194384 587590900 /nfs/dbraw/zinc/59/09/00/587590900.db2.gz YWAMBXFPCWGDQJ-NXEZZACHSA-N 1 0 221.304 0.449 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000831327700 587598529 /nfs/dbraw/zinc/59/85/29/587598529.db2.gz IHQGNJIOUNSFHI-NXEZZACHSA-N 1 0 224.304 0.139 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000831327701 587598553 /nfs/dbraw/zinc/59/85/53/587598553.db2.gz IHQGNJIOUNSFHI-UWVGGRQHSA-N 1 0 224.304 0.139 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCN1CCOC1=O ZINC000831678672 587627685 /nfs/dbraw/zinc/62/76/85/587627685.db2.gz FFXKSKACCPCPKW-MNOVXSKESA-N 1 0 240.303 0.762 20 30 BCEDRO C=C(CO)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000832496143 587663771 /nfs/dbraw/zinc/66/37/71/587663771.db2.gz NMJRJAWZOIDKFZ-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1OCC ZINC000832564362 587666636 /nfs/dbraw/zinc/66/66/36/587666636.db2.gz FRMZVHXCZKLGLO-GHMZBOCLSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1OCC ZINC000832625325 587670611 /nfs/dbraw/zinc/67/06/11/587670611.db2.gz SNRWXKDNGFJIFU-VXGBXAGGSA-N 1 0 238.331 0.673 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@@H](O)CCC ZINC000832666613 587675795 /nfs/dbraw/zinc/67/57/95/587675795.db2.gz FLFYBXGYGYTFLN-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](COC)CC1 ZINC000832738688 587681220 /nfs/dbraw/zinc/68/12/20/587681220.db2.gz KGYDWZLRJFSJNP-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCNC(=O)CN(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000832778923 587688602 /nfs/dbraw/zinc/68/86/02/587688602.db2.gz QSEZECWYWVUJFJ-LBPRGKRZSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000834307827 587750984 /nfs/dbraw/zinc/75/09/84/587750984.db2.gz LSBRPZKCXJAYGJ-GRYCIOLGSA-N 1 0 236.315 0.187 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000834307828 587751069 /nfs/dbraw/zinc/75/10/69/587751069.db2.gz LSBRPZKCXJAYGJ-SDDRHHMPSA-N 1 0 236.315 0.187 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC)C(OC)OC ZINC000834419609 587754706 /nfs/dbraw/zinc/75/47/06/587754706.db2.gz ZSSDSDBMONRFME-JTQLQIEISA-N 1 0 244.335 0.618 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1CCSCC1 ZINC000834488664 587755873 /nfs/dbraw/zinc/75/58/73/587755873.db2.gz FTDQKVNLKKSCLW-ZJUUUORDSA-N 1 0 239.344 0.357 20 30 BCEDRO Cc1cc(F)ccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834480231 587755999 /nfs/dbraw/zinc/75/59/99/587755999.db2.gz MYWCCALRECBZEY-JOYOIKCWSA-N 1 0 247.273 0.976 20 30 BCEDRO Cc1cc(C)c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)o1 ZINC000834479347 587756088 /nfs/dbraw/zinc/75/60/88/587756088.db2.gz DCNDQGYHQRPNHJ-VHSXEESVSA-N 1 0 233.271 0.738 20 30 BCEDRO CC[C@H](C)OCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834480406 587756092 /nfs/dbraw/zinc/75/60/92/587756092.db2.gz PPJXQOUVANBDNI-GUBZILKMSA-N 1 0 225.292 0.029 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1[C@@H]2CCCC[C@@H]21 ZINC000834479554 587756184 /nfs/dbraw/zinc/75/61/84/587756184.db2.gz FVXPDXSGCZZLLL-ZIQFBCGOSA-N 1 0 233.315 0.650 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC12CCCC2 ZINC000834479954 587756265 /nfs/dbraw/zinc/75/62/65/587756265.db2.gz JWFXRZDJUYGJSH-GMTAPVOTSA-N 1 0 233.315 0.794 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1CC(F)(F)C1 ZINC000834479314 587756315 /nfs/dbraw/zinc/75/63/15/587756315.db2.gz CHVFXZOUIISVCC-JGVFFNPUSA-N 1 0 229.230 0.259 20 30 BCEDRO Cc1c(F)cccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834483862 587756332 /nfs/dbraw/zinc/75/63/32/587756332.db2.gz ARUVDVKSWJWUEG-BXKDBHETSA-N 1 0 247.273 0.976 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1N ZINC000834485384 587756520 /nfs/dbraw/zinc/75/65/20/587756520.db2.gz VXSUVCKPBUOAOP-CMPLNLGQSA-N 1 0 244.298 0.419 20 30 BCEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)ccc1F ZINC000834485311 587756550 /nfs/dbraw/zinc/75/65/50/587756550.db2.gz VEMMNDNXJLDFLT-CMPLNLGQSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC12CC2 ZINC000834485249 587756602 /nfs/dbraw/zinc/75/66/02/587756602.db2.gz UCFJRBMUOSQJTC-VGMNWLOBSA-N 1 0 205.261 0.014 20 30 BCEDRO Cc1ccc(N)cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834484830 587756681 /nfs/dbraw/zinc/75/66/81/587756681.db2.gz OADVZWDOQWKPJH-BXKDBHETSA-N 1 0 244.298 0.419 20 30 BCEDRO CCc1cccnc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834485019 587756734 /nfs/dbraw/zinc/75/67/34/587756734.db2.gz QXIIXJKFNQNCHG-WDEREUQCSA-N 1 0 244.298 0.485 20 30 BCEDRO CC(Cl)(Cl)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834485319 587756862 /nfs/dbraw/zinc/75/68/62/587756862.db2.gz VGRNSTFSWIAFBE-NTSWFWBYSA-N 1 0 236.102 0.408 20 30 BCEDRO CSCCCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834490475 587756893 /nfs/dbraw/zinc/75/68/93/587756893.db2.gz VIUFPFJYBDUARO-UWVGGRQHSA-N 1 0 241.360 0.747 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1Cc2ccccc21 ZINC000834489681 587756895 /nfs/dbraw/zinc/75/68/95/587756895.db2.gz OPOYKPSZWLIHKB-KGYLQXTDSA-N 1 0 241.294 0.554 20 30 BCEDRO Cc1ccc(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834490329 587757085 /nfs/dbraw/zinc/75/70/85/587757085.db2.gz UEYZCRNKVOYQIY-NWDGAFQWSA-N 1 0 244.298 0.160 20 30 BCEDRO CC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCOCC1 ZINC000834494106 587757087 /nfs/dbraw/zinc/75/70/87/587757087.db2.gz KGABZBPQESANHQ-NXEZZACHSA-N 1 0 237.303 0.031 20 30 BCEDRO COCC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCC1 ZINC000834499176 587757289 /nfs/dbraw/zinc/75/72/89/587757289.db2.gz FMRYNXKJILXANK-ZJUUUORDSA-N 1 0 237.303 0.031 20 30 BCEDRO CC(C)n1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834498815 587757391 /nfs/dbraw/zinc/75/73/91/587757391.db2.gz BUXWSVRAYDTJRF-KOLCDFICSA-N 1 0 247.302 0.305 20 30 BCEDRO Cc1ncc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)s1 ZINC000834494687 587757605 /nfs/dbraw/zinc/75/76/05/587757605.db2.gz OVFTVVGMACWJJF-SFYZADRCSA-N 1 0 236.300 0.293 20 30 BCEDRO Cc1ncc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)s1 ZINC000834494689 587757623 /nfs/dbraw/zinc/75/76/23/587757623.db2.gz OVFTVVGMACWJJF-YUMQZZPRSA-N 1 0 236.300 0.293 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1conc1C1CC1 ZINC000834500547 587758021 /nfs/dbraw/zinc/75/80/21/587758021.db2.gz ULORCEHZBIUJCP-WPRPVWTQSA-N 1 0 246.270 0.393 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1CCCCC1 ZINC000834505424 587758040 /nfs/dbraw/zinc/75/80/40/587758040.db2.gz KPEJICRMELOTKQ-MNOVXSKESA-N 1 0 221.304 0.794 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1F ZINC000834510824 587758065 /nfs/dbraw/zinc/75/80/65/587758065.db2.gz FTCBTKMJLXZXBI-JQWIXIFHSA-N 1 0 247.273 0.976 20 30 BCEDRO COc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834506681 587758069 /nfs/dbraw/zinc/75/80/69/587758069.db2.gz UZVRZPCAELMRSB-GXSJLCMTSA-N 1 0 245.282 0.537 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCc1cccnc1 ZINC000834511481 587758087 /nfs/dbraw/zinc/75/80/87/587758087.db2.gz LMJNDBIALSXDEF-NEPJUHHUSA-N 1 0 244.298 0.242 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC000834510437 587758097 /nfs/dbraw/zinc/75/80/97/587758097.db2.gz AVOKJXNZJGJFFW-IMTBSYHQSA-N 1 0 238.678 0.509 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1F ZINC000834510826 587758101 /nfs/dbraw/zinc/75/81/01/587758101.db2.gz FTCBTKMJLXZXBI-ZYHUDNBSSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC000834510441 587758131 /nfs/dbraw/zinc/75/81/31/587758131.db2.gz AVOKJXNZJGJFFW-RCOVLWMOSA-N 1 0 238.678 0.509 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834507268 587758155 /nfs/dbraw/zinc/75/81/55/587758155.db2.gz ZFBMVFDVXDIYNS-NEPJUHHUSA-N 1 0 229.283 0.836 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1C ZINC000834511547 587758169 /nfs/dbraw/zinc/75/81/69/587758169.db2.gz MFKZJDFDIHHQFD-NXEZZACHSA-N 1 0 232.287 0.175 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccccc1F ZINC000834512063 587758208 /nfs/dbraw/zinc/75/82/08/587758208.db2.gz RJPBGQAJWRTJFZ-PWSUYJOCSA-N 1 0 247.273 0.596 20 30 BCEDRO Cc1ccccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834511305 587758227 /nfs/dbraw/zinc/75/82/27/587758227.db2.gz KIRFBTAWDJBMDF-PWSUYJOCSA-N 1 0 229.283 0.836 20 30 BCEDRO Cc1ccc(O)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834506210 587758352 /nfs/dbraw/zinc/75/83/52/587758352.db2.gz QSICHWGBIWHEQE-MWLCHTKSSA-N 1 0 245.282 0.542 20 30 BCEDRO Cc1ccc(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834511147 587758407 /nfs/dbraw/zinc/75/84/07/587758407.db2.gz ISOUVPBMGCAYPY-CHWSQXEVSA-N 1 0 243.310 0.765 20 30 BCEDRO CC(C)(C)SCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834516531 587758440 /nfs/dbraw/zinc/75/84/40/587758440.db2.gz JQPIHWKRUINQTI-BDAKNGLRSA-N 1 0 241.360 0.746 20 30 BCEDRO CC(C)OCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834517809 587758564 /nfs/dbraw/zinc/75/85/64/587758564.db2.gz ZJHXRBIBHHYTAQ-ZJUUUORDSA-N 1 0 225.292 0.029 20 30 BCEDRO Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000834517616 587758566 /nfs/dbraw/zinc/75/85/66/587758566.db2.gz XPOVBUYXSXPGFU-ONGXEEELSA-N 1 0 230.271 0.231 20 30 BCEDRO C#CCn1cc(CNC(=O)[C@@H]2CCC[N@H+]2C)cn1 ZINC000834609648 587760812 /nfs/dbraw/zinc/76/08/12/587760812.db2.gz FWNBJJXAXBKJMR-LBPRGKRZSA-N 1 0 246.314 0.227 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)N(CC)CC ZINC000834639666 587762283 /nfs/dbraw/zinc/76/22/83/587762283.db2.gz GTOOXSXROALKJS-UHFFFAOYSA-N 1 0 241.335 0.089 20 30 BCEDRO C=CCONC(=O)NCCC[N@@H+](C)CCOC ZINC000834937783 587771551 /nfs/dbraw/zinc/77/15/51/587771551.db2.gz RISOKRUUXSVWRA-UHFFFAOYSA-N 1 0 245.323 0.372 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccncn1 ZINC000835001894 587777192 /nfs/dbraw/zinc/77/71/92/587777192.db2.gz LITNIPGAAICAMM-QMMMGPOBSA-N 1 0 205.265 0.826 20 30 BCEDRO C#CCCNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000836302155 587830390 /nfs/dbraw/zinc/83/03/90/587830390.db2.gz WBXQJLRZBMKTCS-MNOVXSKESA-N 1 0 221.304 0.355 20 30 BCEDRO C#CCCCNC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000836329007 587830748 /nfs/dbraw/zinc/83/07/48/587830748.db2.gz AJYLOUHYHPTNEM-NEPJUHHUSA-N 1 0 235.331 0.745 20 30 BCEDRO C#CCCCNC(=O)NCCC[N@@H+](C)CC#C ZINC000836331446 587831088 /nfs/dbraw/zinc/83/10/88/587831088.db2.gz HPBJAOPGQBVZLE-UHFFFAOYSA-N 1 0 235.331 0.654 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)C1CCC1 ZINC000837114595 587855401 /nfs/dbraw/zinc/85/54/01/587855401.db2.gz RZRUVRAFIYDQGI-LLVKDONJSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CCOCCC(=O)NC(C)(C)C[NH+](C)C ZINC000837239493 587860594 /nfs/dbraw/zinc/86/05/94/587860594.db2.gz RTJOKYODWGIFCF-UHFFFAOYSA-N 1 0 226.320 0.483 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000837307987 587865134 /nfs/dbraw/zinc/86/51/34/587865134.db2.gz BWMOAQCCMFZYKU-UHFFFAOYSA-N 1 0 206.289 0.564 20 30 BCEDRO C[NH+](C)CCOCCNC(=O)C#CC(C)(C)C ZINC000837513653 587879145 /nfs/dbraw/zinc/87/91/45/587879145.db2.gz HPLLFOPQYAVWRT-UHFFFAOYSA-N 1 0 240.347 0.730 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC1([NH+](C)C)CC1 ZINC000841454903 587955486 /nfs/dbraw/zinc/95/54/86/587955486.db2.gz OUNLUSVMFKFHFR-SNVBAGLBSA-N 1 0 224.304 0.235 20 30 BCEDRO Cc1occc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000841633594 587962771 /nfs/dbraw/zinc/96/27/71/587962771.db2.gz LNVLOMBRCMXXNB-SSDOTTSWSA-N 1 0 206.249 0.859 20 30 BCEDRO C[C@@H]1CNC(NN=C2COC(C)(C)C2)=[NH+]1 ZINC000841634829 587963277 /nfs/dbraw/zinc/96/32/77/587963277.db2.gz ZOEMYAZFYSAEOI-SSDOTTSWSA-N 1 0 210.281 0.479 20 30 BCEDRO CNC(=S)N(C)N=C1CC[N@@H+]2CCC[C@@H]12 ZINC000841645825 587966058 /nfs/dbraw/zinc/96/60/58/587966058.db2.gz IEQCYUSFWHFVEE-VIFPVBQESA-N 1 0 226.349 0.647 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]CCN2)cc1C ZINC000841660209 587969250 /nfs/dbraw/zinc/96/92/50/587969250.db2.gz WCDANWOPMYTLJS-UHFFFAOYSA-N 1 0 232.287 0.886 20 30 BCEDRO Fc1ccc2c(c1)C(=NNC1=[NH+]CCN1)CCO2 ZINC000841660521 587969343 /nfs/dbraw/zinc/96/93/43/587969343.db2.gz ZIOOFCVPMAFKIR-UHFFFAOYSA-N 1 0 248.261 0.861 20 30 BCEDRO Cn1cc(C=NNC2=[NH+]CCN2)c(C(C)(C)C)n1 ZINC000841659747 587969404 /nfs/dbraw/zinc/96/94/04/587969404.db2.gz CQAIJOXPBJHKMC-UHFFFAOYSA-N 1 0 248.334 0.600 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc2n[nH]cc2c1 ZINC000841660570 587969809 /nfs/dbraw/zinc/96/98/09/587969809.db2.gz RRAXSZNUWDACOO-UHFFFAOYSA-N 1 0 242.286 0.836 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1occc1C ZINC000841660933 587970047 /nfs/dbraw/zinc/97/00/47/587970047.db2.gz LCFOXJCDPSIUMV-UHFFFAOYSA-N 1 0 206.249 0.861 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]CCN2)c(C)n1C ZINC000841662353 587970105 /nfs/dbraw/zinc/97/01/05/587970105.db2.gz WLMCZVBUSJSVAK-UHFFFAOYSA-N 1 0 219.292 0.525 20 30 BCEDRO COc1ccc(O)c(C(C)=NNC2=[NH+]CCN2)c1 ZINC000841661671 587970196 /nfs/dbraw/zinc/97/01/96/587970196.db2.gz NTRQVRIJRMRGDZ-UHFFFAOYSA-N 1 0 248.286 0.674 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1nc2c(s1)CCCC2 ZINC000841661695 587970414 /nfs/dbraw/zinc/97/04/14/587970414.db2.gz ZAQZGCRZYPGMHV-UHFFFAOYSA-N 1 0 249.343 0.905 20 30 BCEDRO C=C(Br)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000841746068 587973968 /nfs/dbraw/zinc/97/39/68/587973968.db2.gz VDYQDNRRDNHUHR-ZETCQYMHSA-N 1 0 248.124 0.556 20 30 BCEDRO C#CCSCCNC(=O)NC/C=C/C[NH3+] ZINC000841833094 587976626 /nfs/dbraw/zinc/97/66/26/587976626.db2.gz ZQLCUFKTFYSXBH-ONEGZZNKSA-N 1 0 227.333 0.167 20 30 BCEDRO C#CCSCCNC(=O)NC[C@H]([NH3+])C(C)C ZINC000841832283 587976737 /nfs/dbraw/zinc/97/67/37/587976737.db2.gz LPWIGYZMPPZFLF-JTQLQIEISA-N 1 0 243.376 0.635 20 30 BCEDRO C#CCCCCNC(=O)NC[C@H](C)C[NH3+] ZINC000841861504 587978981 /nfs/dbraw/zinc/97/89/81/587978981.db2.gz XDVLZFUWJPQFLN-SNVBAGLBSA-N 1 0 211.309 0.684 20 30 BCEDRO C#CCCCCNC(=O)NCC[C@H](C)[NH3+] ZINC000841860591 587979059 /nfs/dbraw/zinc/97/90/59/587979059.db2.gz PJZVIIXFCFEZFC-JTQLQIEISA-N 1 0 211.309 0.826 20 30 BCEDRO C#CCCCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000841861503 587979065 /nfs/dbraw/zinc/97/90/65/587979065.db2.gz XDVLZFUWJPQFLN-JTQLQIEISA-N 1 0 211.309 0.684 20 30 BCEDRO C#CCOCCNC(=O)NCC([NH3+])(CC)CC ZINC000841874277 587979767 /nfs/dbraw/zinc/97/97/67/587979767.db2.gz FBTGSFDKFHWBAP-UHFFFAOYSA-N 1 0 241.335 0.453 20 30 BCEDRO C#C[C@H](NC(=O)NCCC[NH2+]C)[C@@H]1CCCO1 ZINC000841880871 587980281 /nfs/dbraw/zinc/98/02/81/587980281.db2.gz JNOQGCWHPOMXNZ-QWRGUYRKSA-N 1 0 239.319 0.076 20 30 BCEDRO C#C[C@H](NC(=O)N(C)CCC[NH3+])[C@@H]1CCCO1 ZINC000841881039 587980372 /nfs/dbraw/zinc/98/03/72/587980372.db2.gz MTQUSXAAOYTWJJ-QWRGUYRKSA-N 1 0 239.319 0.157 20 30 BCEDRO C#C[C@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1CCCO1 ZINC000841881790 587980447 /nfs/dbraw/zinc/98/04/47/587980447.db2.gz UXVKXIWGXDFTBL-UWVGGRQHSA-N 1 0 239.319 0.204 20 30 BCEDRO C#CCCCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000841886245 587980867 /nfs/dbraw/zinc/98/08/67/587980867.db2.gz LVRJJRNIBIGZJE-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCCCNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000841887189 587981123 /nfs/dbraw/zinc/98/11/23/587981123.db2.gz ZPXXEOQGUBVBQW-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000841887038 587981152 /nfs/dbraw/zinc/98/11/52/587981152.db2.gz XQXGRHDHAFSDEA-WDEREUQCSA-N 1 0 223.320 0.697 20 30 BCEDRO C#CCCCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000841886461 587981421 /nfs/dbraw/zinc/98/14/21/587981421.db2.gz NPFXBKGXXILUKP-QMMMGPOBSA-N 1 0 233.262 0.682 20 30 BCEDRO C#C[C@H](NC(=O)NCC[NH2+]C1CC1)C(C)C ZINC000841904065 587983048 /nfs/dbraw/zinc/98/30/48/587983048.db2.gz HDUDQCSGEWWLIM-NSHDSACASA-N 1 0 223.320 0.695 20 30 BCEDRO C=CCONC(=O)NCC[NH2+]CCC ZINC000841912927 587984276 /nfs/dbraw/zinc/98/42/76/587984276.db2.gz FFRBHGGUQMERPD-UHFFFAOYSA-N 1 0 201.270 0.403 20 30 BCEDRO C=CCONC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841913272 587984669 /nfs/dbraw/zinc/98/46/69/587984669.db2.gz LRNDRWUTYWQFPH-IUCAKERBSA-N 1 0 213.281 0.673 20 30 BCEDRO C=CCONC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841913484 587984670 /nfs/dbraw/zinc/98/46/70/587984670.db2.gz NXBHKKSLPUSLLB-JTQLQIEISA-N 1 0 225.292 0.640 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000841913305 587984687 /nfs/dbraw/zinc/98/46/87/587984687.db2.gz LZLRPOODVWARRE-VHSXEESVSA-N 1 0 227.308 0.873 20 30 BCEDRO C=CCONC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000841913174 587984807 /nfs/dbraw/zinc/98/48/07/587984807.db2.gz KBMJNVQQROHWOE-NSHDSACASA-N 1 0 227.308 0.793 20 30 BCEDRO C=CCONC(=O)N[C@H](C[NH3+])CCCC ZINC000841914027 587984832 /nfs/dbraw/zinc/98/48/32/587984832.db2.gz XQNKCJQJYHVKOM-VIFPVBQESA-N 1 0 215.297 0.921 20 30 BCEDRO C#Cc1cccc(CNC(=O)NCC[NH2+]C)c1 ZINC000841912885 587984943 /nfs/dbraw/zinc/98/49/43/587984943.db2.gz CSZFGTHHGVOYCI-UHFFFAOYSA-N 1 0 231.299 0.687 20 30 BCEDRO C=CCONC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841913270 587984962 /nfs/dbraw/zinc/98/49/62/587984962.db2.gz LRNDRWUTYWQFPH-BDAKNGLRSA-N 1 0 213.281 0.673 20 30 BCEDRO C#Cc1cccc(CNC(=O)N[C@@H]2CC[NH2+]C2)c1 ZINC000841913548 587985031 /nfs/dbraw/zinc/98/50/31/587985031.db2.gz QJDKBXMYRFWOPR-CYBMUJFWSA-N 1 0 243.310 0.829 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841923144 587985225 /nfs/dbraw/zinc/98/52/25/587985225.db2.gz YAXGXHGGGFJDFE-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000841939000 587985830 /nfs/dbraw/zinc/98/58/30/587985830.db2.gz SOVASXVRAZAVRC-NXEZZACHSA-N 1 0 209.293 0.307 20 30 BCEDRO C=CCN(C(=O)N[C@@H]1CC[NH2+]C1)C(C)C ZINC000841940621 587986148 /nfs/dbraw/zinc/98/61/48/587986148.db2.gz FTGSREXBXBRJKV-SNVBAGLBSA-N 1 0 211.309 0.954 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@@H](C)C[NH3+] ZINC000841962920 587986876 /nfs/dbraw/zinc/98/68/76/587986876.db2.gz MTHDJQFCXXDUQQ-LURJTMIESA-N 1 0 205.689 0.633 20 30 BCEDRO C#CCCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000841973190 587987446 /nfs/dbraw/zinc/98/74/46/587987446.db2.gz QJDTUYUBUKVZNK-LBPRGKRZSA-N 1 0 223.320 0.699 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841980834 587987598 /nfs/dbraw/zinc/98/75/98/587987598.db2.gz IDCWVWWSRDPNCJ-VHSXEESVSA-N 1 0 209.293 0.579 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841981170 587987718 /nfs/dbraw/zinc/98/77/18/587987718.db2.gz TVVDXQSXAFKQLP-VHSXEESVSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841982177 587987727 /nfs/dbraw/zinc/98/77/27/587987727.db2.gz RNVCKEDNOJOFHD-QWRGUYRKSA-N 1 0 223.320 0.921 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000841986070 587988012 /nfs/dbraw/zinc/98/80/12/587988012.db2.gz LKGQPLQWURZYAT-GXSJLCMTSA-N 1 0 223.320 0.825 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC/C=C/C[NH3+] ZINC000841993859 587988412 /nfs/dbraw/zinc/98/84/12/587988412.db2.gz AUVCJCBABXJVJB-VOTSOKGWSA-N 1 0 219.288 0.169 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842005278 587988422 /nfs/dbraw/zinc/98/84/22/587988422.db2.gz RLLIHJPKUYYVQA-YUMQZZPRSA-N 1 0 231.246 0.305 20 30 BCEDRO C#CCCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842007200 587988491 /nfs/dbraw/zinc/98/84/91/587988491.db2.gz WTIALOKOJBMQCU-LLVKDONJSA-N 1 0 223.320 0.841 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000842015919 587988852 /nfs/dbraw/zinc/98/88/52/587988852.db2.gz ROAKKQJBKFXCOI-QJPTWQEYSA-N 1 0 235.331 0.697 20 30 BCEDRO C=CCN(C(=O)C(=O)NCC(C)(C)[NH3+])C(C)C ZINC000842258639 588009804 /nfs/dbraw/zinc/00/98/04/588009804.db2.gz QCPWKJGVEINVHE-UHFFFAOYSA-N 1 0 241.335 0.263 20 30 BCEDRO CC(C)Cn1nccc1C=NNC(N)=[NH2+] ZINC000842525549 588033318 /nfs/dbraw/zinc/03/33/18/588033318.db2.gz RYICSJHPVJDQDG-UHFFFAOYSA-N 1 0 208.269 0.356 20 30 BCEDRO CN(C)c1ncc(C=[NH+]NC23CC(C2)C3)n1C ZINC000842543464 588038976 /nfs/dbraw/zinc/03/89/76/588038976.db2.gz ICDZDGRZFLJMCE-UHFFFAOYSA-N 1 0 233.319 0.962 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CN2CC(=O)N(C)C2=O)C1 ZINC000842629824 588047169 /nfs/dbraw/zinc/04/71/69/588047169.db2.gz SAJJATVALGIZRA-LLVKDONJSA-N 1 0 249.314 0.573 20 30 BCEDRO C=CC[C@@H](C)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843442238 588110747 /nfs/dbraw/zinc/11/07/47/588110747.db2.gz LSDIHOFTHNVEGT-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(C)[nH]1 ZINC000843459106 588111648 /nfs/dbraw/zinc/11/16/48/588111648.db2.gz BVQCMWRBRLXKMA-GXSJLCMTSA-N 1 0 232.287 0.473 20 30 BCEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(C)[nH]1 ZINC000843459111 588112027 /nfs/dbraw/zinc/11/20/27/588112027.db2.gz BVQCMWRBRLXKMA-KOLCDFICSA-N 1 0 232.287 0.473 20 30 BCEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)c1ccccn1 ZINC000843461504 588112343 /nfs/dbraw/zinc/11/23/43/588112343.db2.gz VDKOJGDDUPBGPE-NHCYSSNCSA-N 1 0 244.298 0.413 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@@H](C)C1CC[NH+](C)CC1 ZINC000843841521 588144234 /nfs/dbraw/zinc/14/42/34/588144234.db2.gz LEOXKLUKYCIASD-NSHDSACASA-N 1 0 240.347 0.724 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843867224 588146492 /nfs/dbraw/zinc/14/64/92/588146492.db2.gz KPZOFOAIEICCKL-GMTAPVOTSA-N 1 0 208.305 0.807 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843877328 588147411 /nfs/dbraw/zinc/14/74/11/588147411.db2.gz CXXXWSZNSXXOFL-GRYCIOLGSA-N 1 0 238.331 0.217 20 30 BCEDRO C=C(CO)C(=O)N(CCC)[C@H]1CC[N@H+](C)C1 ZINC000843990938 588153540 /nfs/dbraw/zinc/15/35/40/588153540.db2.gz YWQWFLCYAKCVSQ-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(CO)C(=O)N(CCC)[C@@H]1CC[N@H+](C)C1 ZINC000843990937 588153692 /nfs/dbraw/zinc/15/36/92/588153692.db2.gz YWQWFLCYAKCVSQ-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](CC)C(=O)OC ZINC000844022352 588156610 /nfs/dbraw/zinc/15/66/10/588156610.db2.gz BWGWGHBHOXEAAW-JTQLQIEISA-N 1 0 242.319 0.420 20 30 BCEDRO CS[C@H](C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000844194805 588172665 /nfs/dbraw/zinc/17/26/65/588172665.db2.gz MHKOYDIUSLWYJO-HLTSFMKQSA-N 1 0 227.333 0.356 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C\c1cccnc1 ZINC000844194239 588172923 /nfs/dbraw/zinc/17/29/23/588172923.db2.gz CRUMBZJDLGFYGL-OPVGQWETSA-N 1 0 242.282 0.323 20 30 BCEDRO COC(=O)CC1([NH2+]CCO[C@@H](C)C#N)CC1 ZINC000844387894 588188794 /nfs/dbraw/zinc/18/87/94/588188794.db2.gz XSSZXDRWDCKONZ-VIFPVBQESA-N 1 0 226.276 0.600 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc(O)cc2F)N1 ZINC000844589939 588205812 /nfs/dbraw/zinc/20/58/12/588205812.db2.gz LZYSSCYECAPKBX-SSDOTTSWSA-N 1 0 236.250 0.803 20 30 BCEDRO C[C@@H]1CNC(NN=C2CO[C@H](C)[C@@H]2C)=[NH+]1 ZINC000844589736 588205941 /nfs/dbraw/zinc/20/59/41/588205941.db2.gz JNKAIJOADOAUAH-GJMOJQLCSA-N 1 0 210.281 0.335 20 30 BCEDRO CCON(C)C(=O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000846066085 588255190 /nfs/dbraw/zinc/25/51/90/588255190.db2.gz ZMAYUDYTINLSSU-UWVGGRQHSA-N 1 0 225.292 0.678 20 30 BCEDRO C=C(C)CONC(=O)C1CC[NH+](C)CC1 ZINC000846538318 588272206 /nfs/dbraw/zinc/27/22/06/588272206.db2.gz UZOFGCTWCFLHRF-UHFFFAOYSA-N 1 0 212.293 0.952 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000846678645 588282223 /nfs/dbraw/zinc/28/22/23/588282223.db2.gz WIANGUCSJKNZIK-NZEXEKPDSA-N 1 0 245.326 0.816 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H]1CN(CC)C(=O)O1 ZINC000846812382 588290821 /nfs/dbraw/zinc/29/08/21/588290821.db2.gz VJJJPNZPUWGZMW-SNVBAGLBSA-N 1 0 210.277 0.782 20 30 BCEDRO C#CCOCC[N@@H+](C)CCCC(=O)NC ZINC000846837323 588292484 /nfs/dbraw/zinc/29/24/84/588292484.db2.gz LUQWZHRNDVRSES-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C#C[C@H](NC[C@H](O)C[N@@H+](C)CC)[C@@H]1CCCO1 ZINC000846856862 588293702 /nfs/dbraw/zinc/29/37/02/588293702.db2.gz DMSOPPVGUWSSJJ-AVGNSLFASA-N 1 0 240.347 0.069 20 30 BCEDRO C#C[C@H](NC[C@@H](O)C[N@@H+](C)CC)[C@@H]1CCCO1 ZINC000846856860 588293724 /nfs/dbraw/zinc/29/37/24/588293724.db2.gz DMSOPPVGUWSSJJ-AGIUHOORSA-N 1 0 240.347 0.069 20 30 BCEDRO C#C[C@H]([NH2+]CC[C@H]1CCNC1=O)[C@@H]1CCCO1 ZINC000846856877 588293749 /nfs/dbraw/zinc/29/37/49/588293749.db2.gz DRGFJUQOFLAQCG-SRVKXCTJSA-N 1 0 236.315 0.283 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000846921180 588296795 /nfs/dbraw/zinc/29/67/95/588296795.db2.gz OGEHIVBMIXHILD-QWRGUYRKSA-N 1 0 239.319 0.468 20 30 BCEDRO CC[C@@H](CC#N)NCC(=O)NCCC#N ZINC000846992039 588300579 /nfs/dbraw/zinc/30/05/79/588300579.db2.gz JTUAJRRLCNQVMJ-VIFPVBQESA-N 1 0 208.265 0.298 20 30 BCEDRO C#C[C@H]1CCC[N@H+](C[C@@H]2COCCO2)C1 ZINC000847018755 588302128 /nfs/dbraw/zinc/30/21/28/588302128.db2.gz MMLFSEIFKMUPPG-NWDGAFQWSA-N 1 0 209.289 0.747 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000847021126 588303040 /nfs/dbraw/zinc/30/30/40/588303040.db2.gz JIHKRMUMQWSWGG-LBPRGKRZSA-N 1 0 220.316 0.954 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000847022702 588303172 /nfs/dbraw/zinc/30/31/72/588303172.db2.gz JHNIFBFANGZABU-CHWSQXEVSA-N 1 0 233.315 0.589 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)N2CCN(C)CC2)C1 ZINC000847024076 588303720 /nfs/dbraw/zinc/30/37/20/588303720.db2.gz PIDZKDKUAUXRJP-CYBMUJFWSA-N 1 0 249.358 0.106 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000847026565 588303969 /nfs/dbraw/zinc/30/39/69/588303969.db2.gz QATDOSFPUVHYML-QWRGUYRKSA-N 1 0 206.289 0.562 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)NC(C)C)C1 ZINC000847026167 588304103 /nfs/dbraw/zinc/30/41/03/588304103.db2.gz BSHXBCUKEWOTGS-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CC)[C@H]1CCCCO1 ZINC000847090793 588306194 /nfs/dbraw/zinc/30/61/94/588306194.db2.gz SKSUBLPUZAWREZ-VXGBXAGGSA-N 1 0 238.331 0.673 20 30 BCEDRO C#C[C@@H](NC(=O)C1([NH+](C)C)CC1)C(C)C ZINC000847112188 588306543 /nfs/dbraw/zinc/30/65/43/588306543.db2.gz AEJVFOMVDWOYBB-SNVBAGLBSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000848035068 588349236 /nfs/dbraw/zinc/34/92/36/588349236.db2.gz KORKOZQGGFLTTF-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C[C@@H](C)O)C1CC1 ZINC000848359883 588374013 /nfs/dbraw/zinc/37/40/13/588374013.db2.gz TWIAUXXMEXJLSE-SNVBAGLBSA-N 1 0 226.320 0.476 20 30 BCEDRO C[C@H]1CCC[N@@H+]1CCNc1ccnc(C#N)n1 ZINC000848669786 588404499 /nfs/dbraw/zinc/40/44/99/588404499.db2.gz IXZUQXCJWXBKHW-JTQLQIEISA-N 1 0 231.303 0.666 20 30 BCEDRO C[C@@H]1CCC[N@@H+]1CCNc1ccnc(C#N)n1 ZINC000848669787 588404612 /nfs/dbraw/zinc/40/46/12/588404612.db2.gz IXZUQXCJWXBKHW-SNVBAGLBSA-N 1 0 231.303 0.666 20 30 BCEDRO COC(=O)CCCCCNC1=[NH+]CCN1C ZINC000848981651 588423689 /nfs/dbraw/zinc/42/36/89/588423689.db2.gz KJQZTHXRRLKURD-UHFFFAOYSA-N 1 0 227.308 0.611 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2ccc3c(c2)OCO3)N1 ZINC000848982833 588424681 /nfs/dbraw/zinc/42/46/81/588424681.db2.gz XQDQSMZVKYIHIT-VIFPVBQESA-N 1 0 247.298 0.895 20 30 BCEDRO CN(C)C(=[NH+]C[C@@H](O)C(F)(F)F)N(C)C ZINC000848985079 588425254 /nfs/dbraw/zinc/42/52/54/588425254.db2.gz GBIWSZXLUPDEGH-ZCFIWIBFSA-N 1 0 227.230 0.389 20 30 BCEDRO N#Cc1cccnc1NCCNC(=[NH2+])N1CCC1 ZINC000848989702 588426584 /nfs/dbraw/zinc/42/65/84/588426584.db2.gz TVQYPKCACVPDNM-UHFFFAOYSA-N 1 0 244.302 0.595 20 30 BCEDRO CNC(NCc1ccc(CO)c(F)c1)=[NH+]C ZINC000848994409 588428144 /nfs/dbraw/zinc/42/81/44/588428144.db2.gz RUWKLWLLRNIVRO-UHFFFAOYSA-N 1 0 225.267 0.613 20 30 BCEDRO CC[C@](C)(O)C[NH+]=C(N(C)C)N(C)C ZINC000848999477 588430196 /nfs/dbraw/zinc/43/01/96/588430196.db2.gz KFLGEKHEOXGNDP-JTQLQIEISA-N 1 0 201.314 0.627 20 30 BCEDRO C[C@H]1CN(CC[NH+]=C(N(C)C)N(C)C)CCO1 ZINC000848999468 588430354 /nfs/dbraw/zinc/43/03/54/588430354.db2.gz JEOSSEUUVBCKOO-NSHDSACASA-N 1 0 242.367 0.186 20 30 BCEDRO CCNC(NC[C@H](O)COCC1CC1)=[NH+]CC ZINC000849000277 588430385 /nfs/dbraw/zinc/43/03/85/588430385.db2.gz OQTJUOPNVQKCMZ-NSHDSACASA-N 1 0 243.351 0.349 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCN1CCO[C@@H](C)C1 ZINC000848999389 588430561 /nfs/dbraw/zinc/43/05/61/588430561.db2.gz AUHKBLGGJPFHSV-NSHDSACASA-N 1 0 240.351 0.397 20 30 BCEDRO CN1CC[NH+]=C1NCCCNC(=O)C1CCC1 ZINC000849004457 588431462 /nfs/dbraw/zinc/43/14/62/588431462.db2.gz GCVSNQZZKJUFPB-UHFFFAOYSA-N 1 0 238.335 0.184 20 30 BCEDRO CCOCCCNC(=[NH2+])NC[C@@H](C)C#N ZINC000849003774 588431657 /nfs/dbraw/zinc/43/16/57/588431657.db2.gz FNQJEDDCFVLBPE-VIFPVBQESA-N 1 0 212.297 0.687 20 30 BCEDRO C[NH+]=C(NCCOC[C@@H]1CCCO1)NC1CC1 ZINC000849005350 588432286 /nfs/dbraw/zinc/43/22/86/588432286.db2.gz LFFRUBJYLIBWSB-NSHDSACASA-N 1 0 241.335 0.509 20 30 BCEDRO Cc1ccc(CCNC2=[NH+]C[C@H](C)N2)cn1 ZINC000849005883 588432597 /nfs/dbraw/zinc/43/25/97/588432597.db2.gz ZUFFESHDYHVKCN-JTQLQIEISA-N 1 0 218.304 0.870 20 30 BCEDRO C[NH+]=C(NCCOC[C@H]1CCOC1)NC1CC1 ZINC000849006768 588433239 /nfs/dbraw/zinc/43/32/39/588433239.db2.gz QRPDRBVVSQCKKJ-JTQLQIEISA-N 1 0 241.335 0.367 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](OC)C(F)(F)F ZINC000849008313 588433678 /nfs/dbraw/zinc/43/36/78/588433678.db2.gz FIYZISXWQZMZBI-ZCFIWIBFSA-N 1 0 225.214 0.864 20 30 BCEDRO CNC(NCc1ccccc1NC(C)=O)=[NH+]C ZINC000849010601 588434889 /nfs/dbraw/zinc/43/48/89/588434889.db2.gz TXYLZQKTZSFSKO-UHFFFAOYSA-N 1 0 234.303 0.940 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])NC1CCC1 ZINC000849016159 588437186 /nfs/dbraw/zinc/43/71/86/588437186.db2.gz QFJMITDINMTRNX-VIFPVBQESA-N 1 0 211.309 0.837 20 30 BCEDRO C=C(C)COCCNC(=[NH2+])NCCOC ZINC000849013234 588436050 /nfs/dbraw/zinc/43/60/50/588436050.db2.gz SAVQFLXOMICMLH-UHFFFAOYSA-N 1 0 215.297 0.339 20 30 BCEDRO CC(C)C(=O)NCCCNC1=[NH+]C[C@H](C)N1 ZINC000849015187 588436619 /nfs/dbraw/zinc/43/66/19/588436619.db2.gz XCNOSPLGTYPCEA-VIFPVBQESA-N 1 0 226.324 0.086 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849016240 588437167 /nfs/dbraw/zinc/43/71/67/588437167.db2.gz WQOVFQLWYSUTAW-GHMZBOCLSA-N 1 0 241.335 0.416 20 30 BCEDRO C#CCOCCNC(=[NH2+])NCCC(C)C ZINC000849018161 588437762 /nfs/dbraw/zinc/43/77/62/588437762.db2.gz VZOMCAOPTCGAPM-UHFFFAOYSA-N 1 0 211.309 0.796 20 30 BCEDRO CN(C)C(=[NH+]Cc1ccc(C#N)cn1)N(C)C ZINC000849020904 588438903 /nfs/dbraw/zinc/43/89/03/588438903.db2.gz UNFGWQRTAAJRPQ-UHFFFAOYSA-N 1 0 231.303 0.932 20 30 BCEDRO CO[C@H](CCNC1=[NH+]C[C@@H](C)N1)C(F)(F)F ZINC000849021235 588438968 /nfs/dbraw/zinc/43/89/68/588438968.db2.gz DPINRLQJTMWICR-RNFRBKRXSA-N 1 0 239.241 0.891 20 30 BCEDRO CO[C@H](CCNC1=[NH+]CCN1C)C(F)(F)F ZINC000849021354 588439041 /nfs/dbraw/zinc/43/90/41/588439041.db2.gz IAIPNRNSAIZSER-SSDOTTSWSA-N 1 0 239.241 0.845 20 30 BCEDRO C[NH+]=C(NCCC#N)NCc1ccco1 ZINC000849023236 588439630 /nfs/dbraw/zinc/43/96/30/588439630.db2.gz ANZOWGHQJTWMEC-UHFFFAOYSA-N 1 0 206.249 0.858 20 30 BCEDRO CCNC(NC[C@H](CO)[C@H]1CCOC1)=[NH+]CC ZINC000849025240 588440190 /nfs/dbraw/zinc/44/01/90/588440190.db2.gz VMYWPAPZIQJTQA-WDEREUQCSA-N 1 0 243.351 0.206 20 30 BCEDRO CN(C)C(=[NH+]C[C@H](CO)[C@H]1CCOC1)N(C)C ZINC000849024968 588440365 /nfs/dbraw/zinc/44/03/65/588440365.db2.gz HKZUSYPMRGHCCF-WDEREUQCSA-N 1 0 243.351 0.111 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCC1(C#N)CC1 ZINC000849026055 588440511 /nfs/dbraw/zinc/44/05/11/588440511.db2.gz QXSNHOSEHAFEAR-MRVPVSSYSA-N 1 0 210.281 0.439 20 30 BCEDRO N#CC1(CNC(=[NH2+])N2CCSCC2)CC1 ZINC000849025668 588440595 /nfs/dbraw/zinc/44/05/95/588440595.db2.gz APYWBEGMWWXDKB-UHFFFAOYSA-N 1 0 224.333 0.863 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](CO)C(C)C ZINC000849028504 588441422 /nfs/dbraw/zinc/44/14/22/588441422.db2.gz LGLGUQLHEBEJFN-SNVBAGLBSA-N 1 0 213.325 0.941 20 30 BCEDRO CCC[C@@H](C)C(=O)NCCNC(NC)=[NH+]C ZINC000849030117 588442352 /nfs/dbraw/zinc/44/23/52/588442352.db2.gz AERNSQZPWUXZNU-SECBINFHSA-N 1 0 228.340 0.334 20 30 BCEDRO CNC(NC[C@H](O)Cc1cccc(F)c1)=[NH+]C ZINC000849032842 588443408 /nfs/dbraw/zinc/44/34/08/588443408.db2.gz YGUQBEDZNPRZQX-LLVKDONJSA-N 1 0 239.294 0.524 20 30 BCEDRO COC[C@@](C)(O)CC[NH+]=C(N(C)C)N(C)C ZINC000849033858 588443798 /nfs/dbraw/zinc/44/37/98/588443798.db2.gz CLYDGUMKNKSHLH-NSHDSACASA-N 1 0 231.340 0.253 20 30 BCEDRO C[NH+]=C(NCC[C@](C)(O)COC)NC1CC1 ZINC000849033808 588443800 /nfs/dbraw/zinc/44/38/00/588443800.db2.gz AWUXUHOZKXTTHO-NSHDSACASA-N 1 0 229.324 0.101 20 30 BCEDRO C[NH+]=C(NCc1nnc(C2CC2)[nH]1)NC1CC1 ZINC000849034718 588444280 /nfs/dbraw/zinc/44/42/80/588444280.db2.gz GEPWUIMCCFZKGW-UHFFFAOYSA-N 1 0 234.307 0.510 20 30 BCEDRO CCNC(NCC[C@](C)(O)COC)=[NH+]CC ZINC000849034269 588444359 /nfs/dbraw/zinc/44/43/59/588444359.db2.gz PRUBSXSZZORZAY-NSHDSACASA-N 1 0 231.340 0.349 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CCOC[C@H]1OC)NC1CC1 ZINC000849036712 588445534 /nfs/dbraw/zinc/44/55/34/588445534.db2.gz VNAJTXILDOIVTO-GXSJLCMTSA-N 1 0 241.335 0.365 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1cnc(C)cn1 ZINC000849039311 588446573 /nfs/dbraw/zinc/44/65/73/588446573.db2.gz RJZNUSWQWCVHQM-UHFFFAOYSA-N 1 0 219.292 0.627 20 30 BCEDRO CN(C)C(=[NH+]CCc1cn(C)cn1)N(C)C ZINC000849039970 588447254 /nfs/dbraw/zinc/44/72/54/588447254.db2.gz BNGCDKPKIVRFRU-UHFFFAOYSA-N 1 0 223.324 0.442 20 30 BCEDRO Cc1cnc(CCNC2=[NH+]C[C@H](C)N2)cn1 ZINC000849039708 588447329 /nfs/dbraw/zinc/44/73/29/588447329.db2.gz OJUYEHLWEVLVQA-VIFPVBQESA-N 1 0 219.292 0.265 20 30 BCEDRO CCNC(NCc1ccn(CC)n1)=[NH+]CC ZINC000849041453 588448072 /nfs/dbraw/zinc/44/80/72/588448072.db2.gz FWYVZOYWYQGOQS-UHFFFAOYSA-N 1 0 223.324 0.978 20 30 BCEDRO CNC(NC[C@@H](CO)c1ccc(F)cc1)=[NH+]C ZINC000849043151 588448668 /nfs/dbraw/zinc/44/86/68/588448668.db2.gz PKQVSWHMPFQSLU-JTQLQIEISA-N 1 0 239.294 0.696 20 30 BCEDRO C=CCNC(=[NH2+])NCCCS(=O)(=O)CC ZINC000849043110 588448676 /nfs/dbraw/zinc/44/86/76/588448676.db2.gz NGHXTMYDCMGZNG-UHFFFAOYSA-N 1 0 233.337 0.111 20 30 BCEDRO CN1CCC[NH+]=C1NCCCC1(O)CCC1 ZINC000849043940 588449155 /nfs/dbraw/zinc/44/91/55/588449155.db2.gz MDDZCSKBGIDXBE-UHFFFAOYSA-N 1 0 225.336 0.963 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](CC)C(=O)OC ZINC000849046920 588450320 /nfs/dbraw/zinc/45/03/20/588450320.db2.gz YZCDWNSPEDTVJL-VIFPVBQESA-N 1 0 227.308 0.876 20 30 BCEDRO C=C(C)CNC(=[NH2+])N[C@@H](CO)CCF ZINC000849048560 588451097 /nfs/dbraw/zinc/45/10/97/588451097.db2.gz JEQUFWONGRHGTM-MRVPVSSYSA-N 1 0 203.261 0.397 20 30 BCEDRO N#CCNC(=O)CNC(=[NH2+])Nc1ccccc1 ZINC000849049560 588451351 /nfs/dbraw/zinc/45/13/51/588451351.db2.gz HPURKRNNTYDSOW-UHFFFAOYSA-N 1 0 231.259 0.263 20 30 BCEDRO CCNC(N[C@@H](CO)CCF)=[NH+]CC ZINC000849050289 588451766 /nfs/dbraw/zinc/45/17/66/588451766.db2.gz YWQYTYMKGSYPCU-MRVPVSSYSA-N 1 0 205.277 0.282 20 30 BCEDRO C[NH+](C)CCn1cc(-c2cncc(C#N)c2)nn1 ZINC000849136472 588453982 /nfs/dbraw/zinc/45/39/82/588453982.db2.gz GFJSSVACAAFJKK-UHFFFAOYSA-N 1 0 242.286 0.773 20 30 BCEDRO C=C[C@@](C)(O)c1cn([C@@H]2CC[NH2+]C2)nn1 ZINC000849155906 588456651 /nfs/dbraw/zinc/45/66/51/588456651.db2.gz QTVCCXUZFRRRBB-PSASIEDQSA-N 1 0 208.265 0.206 20 30 BCEDRO CCNC(NC[C@H](OC)[C@H]1CCOC1)=[NH+]CC ZINC000849215186 588461760 /nfs/dbraw/zinc/46/17/60/588461760.db2.gz SYKZXBZULMZYSQ-QWRGUYRKSA-N 1 0 243.351 0.613 20 30 BCEDRO CCNC(NC[C@@H](CO)CC1CC1)=[NH+]CC ZINC000849215008 588461777 /nfs/dbraw/zinc/46/17/77/588461777.db2.gz IKXYHVJQKPEVML-NSHDSACASA-N 1 0 227.352 0.970 20 30 BCEDRO CNC(NCc1cccnc1N1CCCC1)=[NH+]C ZINC000849215094 588461792 /nfs/dbraw/zinc/46/17/92/588461792.db2.gz MUOSBVOTWZKGJV-UHFFFAOYSA-N 1 0 247.346 0.977 20 30 BCEDRO CNC(NCc1c(C2CC2)cnn1C)=[NH+]C ZINC000849214899 588461945 /nfs/dbraw/zinc/46/19/45/588461945.db2.gz AXCQTXDPNSHTEY-UHFFFAOYSA-N 1 0 221.308 0.592 20 30 BCEDRO CNC(NC[C@H](O)c1ccccc1C)=[NH+]C ZINC000849214499 588462027 /nfs/dbraw/zinc/46/20/27/588462027.db2.gz HNUTWGLLQSOFMN-NSHDSACASA-N 1 0 221.304 0.823 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000849225329 588462972 /nfs/dbraw/zinc/46/29/72/588462972.db2.gz RWANDPBXKWGJPA-JTQLQIEISA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000849225330 588463241 /nfs/dbraw/zinc/46/32/41/588463241.db2.gz RWANDPBXKWGJPA-SNVBAGLBSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCNC(=S)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000849267268 588468250 /nfs/dbraw/zinc/46/82/50/588468250.db2.gz OQUCPBKHDAXUKX-JTQLQIEISA-N 1 0 239.388 0.957 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000850244553 588531367 /nfs/dbraw/zinc/53/13/67/588531367.db2.gz WFWKYFJXRPEPSN-MNOVXSKESA-N 1 0 247.360 0.744 20 30 BCEDRO C#CCOCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851658689 588613410 /nfs/dbraw/zinc/61/34/10/588613410.db2.gz HXYPTHOWRFWCHG-LLVKDONJSA-N 1 0 241.335 0.309 20 30 BCEDRO C=CCONC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851660892 588613613 /nfs/dbraw/zinc/61/36/13/588613613.db2.gz BKOZJLRRXBBLLU-SECBINFHSA-N 1 0 215.297 0.777 20 30 BCEDRO C=CCONC(=O)N1CC2CC1(C[NH3+])C2 ZINC000851661808 588613654 /nfs/dbraw/zinc/61/36/54/588613654.db2.gz PERCVFPRODGCAM-UHFFFAOYSA-N 1 0 211.265 0.237 20 30 BCEDRO N#Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C2)nc1 ZINC000851660362 588613735 /nfs/dbraw/zinc/61/37/35/588613735.db2.gz LTJKYCVOVMETPB-NSHDSACASA-N 1 0 245.286 0.114 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)N1CC[C@](C)(C#N)C1 ZINC000851664238 588613868 /nfs/dbraw/zinc/61/38/68/588613868.db2.gz USWWNMBTAKYQFW-WCBMZHEXSA-N 1 0 210.281 0.279 20 30 BCEDRO C#CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851677886 588614571 /nfs/dbraw/zinc/61/45/71/588614571.db2.gz XHLJEYRHFZCLHF-UHFFFAOYSA-N 1 0 207.277 0.061 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N[C@H](C)C[NH2+]C ZINC000851679260 588614578 /nfs/dbraw/zinc/61/45/78/588614578.db2.gz BOSYYPWFLRCWCJ-ZJUUUORDSA-N 1 0 211.309 0.695 20 30 BCEDRO C#CCOCCN1CC[NH+](CC(C)C)CC1 ZINC000851711301 588615305 /nfs/dbraw/zinc/61/53/05/588615305.db2.gz YJBBCJSQLIZCFB-UHFFFAOYSA-N 1 0 224.348 0.910 20 30 BCEDRO C#CCOCCN1CCC[N@@H+](CC)CC1 ZINC000851746822 588617760 /nfs/dbraw/zinc/61/77/60/588617760.db2.gz PUUKYLSJZZKUKL-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO C#CCOCC[NH+]1CCC(NC(C)=O)CC1 ZINC000851740363 588621148 /nfs/dbraw/zinc/62/11/48/588621148.db2.gz PQGDYKAOUUNMRF-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCOCCN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000851747691 588622099 /nfs/dbraw/zinc/62/20/99/588622099.db2.gz JHLDGXNBEKEYOW-CYBMUJFWSA-N 1 0 222.332 0.806 20 30 BCEDRO C#CCOCC[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000851762166 588624739 /nfs/dbraw/zinc/62/47/39/588624739.db2.gz LDLHRUWRLAUUNK-NEPJUHHUSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCOCC[NH+]1CCC([C@@H](C)O)CC1 ZINC000851770164 588625674 /nfs/dbraw/zinc/62/56/74/588625674.db2.gz OWTMRENCLXAHPH-LLVKDONJSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](OCCO)C1 ZINC000851772651 588626125 /nfs/dbraw/zinc/62/61/25/588626125.db2.gz KQBSXDOELOLTDT-GFCCVEGCSA-N 1 0 227.304 0.110 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](COCCOC)C1 ZINC000851788271 588628941 /nfs/dbraw/zinc/62/89/41/588628941.db2.gz SMVGTAIIHIAQIE-ZDUSSCGKSA-N 1 0 241.331 0.621 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](c2nccn2C)C1 ZINC000851867336 588636984 /nfs/dbraw/zinc/63/69/84/588636984.db2.gz DSNBJRNEVAAALH-LBPRGKRZSA-N 1 0 233.315 0.859 20 30 BCEDRO C#CCOCC[N@@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000851889838 588640961 /nfs/dbraw/zinc/64/09/61/588640961.db2.gz PQZPMKMRESDULT-NWDGAFQWSA-N 1 0 210.321 0.661 20 30 BCEDRO C#C[C@H]([NH2+]CCc1cn[nH]n1)[C@H]1CCCO1 ZINC000851949580 588647134 /nfs/dbraw/zinc/64/71/34/588647134.db2.gz GJTWVAYJHPFEPR-WDEREUQCSA-N 1 0 220.276 0.118 20 30 BCEDRO C#CCOCCN1CC[N@@H+](C[C@@H](C)O)C[C@H]1C ZINC000851955081 588647471 /nfs/dbraw/zinc/64/74/71/588647471.db2.gz ZUZGFZSWXXXUTM-CHWSQXEVSA-N 1 0 240.347 0.023 20 30 BCEDRO C#CCOCCN1CC[N@H+](CCO)C(C)(C)C1 ZINC000851965472 588648377 /nfs/dbraw/zinc/64/83/77/588648377.db2.gz QXAKZGKIWFQBJD-UHFFFAOYSA-N 1 0 240.347 0.025 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](C(=O)OC)[C@H]1C ZINC000851975310 588649934 /nfs/dbraw/zinc/64/99/34/588649934.db2.gz PHOPZDKLWIHDKH-MNOVXSKESA-N 1 0 225.288 0.520 20 30 BCEDRO C#CCN(C)[C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000851977972 588650500 /nfs/dbraw/zinc/65/05/00/588650500.db2.gz IQIYJLBMNJMIAU-QJPTWQEYSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000851990313 588652158 /nfs/dbraw/zinc/65/21/58/588652158.db2.gz QTKLUAJFJDPODM-JTQLQIEISA-N 1 0 235.335 0.924 20 30 BCEDRO C#CCOCC[NH2+][C@@]1(CCOC)CCOC1 ZINC000851991990 588653132 /nfs/dbraw/zinc/65/31/32/588653132.db2.gz HJHDBKMCFDYZQU-LBPRGKRZSA-N 1 0 227.304 0.421 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@](C)(O)CC1 ZINC000852000203 588653784 /nfs/dbraw/zinc/65/37/84/588653784.db2.gz UMEKOWXFPDOAAT-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000852000202 588653917 /nfs/dbraw/zinc/65/39/17/588653917.db2.gz UMEKOWXFPDOAAT-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000851999139 588654066 /nfs/dbraw/zinc/65/40/66/588654066.db2.gz YODOHBKYXPPWRZ-QWHCGFSZSA-N 1 0 239.315 0.516 20 30 BCEDRO C#CCN(CC#N)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000852009468 588654567 /nfs/dbraw/zinc/65/45/67/588654567.db2.gz JAVICLMDJCZXQQ-LBPRGKRZSA-N 1 0 223.320 0.146 20 30 BCEDRO C#CCOCCN1CC[N@@H+](CC)C[C@H]1C ZINC000852041956 588657463 /nfs/dbraw/zinc/65/74/63/588657463.db2.gz SVUXUOJKSHQYPE-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000852076300 588658957 /nfs/dbraw/zinc/65/89/57/588658957.db2.gz QKPIEHYRBGXDER-NWDGAFQWSA-N 1 0 208.305 0.272 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC000852096804 588661872 /nfs/dbraw/zinc/66/18/72/588661872.db2.gz FTZRDKTXFQMPHE-AAEUAGOBSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000852097220 588662426 /nfs/dbraw/zinc/66/24/26/588662426.db2.gz SKNNZCCIGUVLOE-OLZOCXBDSA-N 1 0 238.331 0.041 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCCNS(=O)(=O)CC ZINC000852100895 588663070 /nfs/dbraw/zinc/66/30/70/588663070.db2.gz LCHUOFAIFMOEEK-LLVKDONJSA-N 1 0 246.376 0.707 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@](C)(O)C(=O)OCC ZINC000852101503 588663106 /nfs/dbraw/zinc/66/31/06/588663106.db2.gz QAVJJJCUWJPGOT-VXGBXAGGSA-N 1 0 227.304 0.692 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCCS(N)(=O)=O ZINC000852102930 588663317 /nfs/dbraw/zinc/66/33/17/588663317.db2.gz TWMJZMDLCFYNFP-SECBINFHSA-N 1 0 218.322 0.057 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCN1C(=O)CN(C)C1=O ZINC000852105491 588664008 /nfs/dbraw/zinc/66/40/08/588664008.db2.gz VYCPAWZIIOZKMR-GFCCVEGCSA-N 1 0 237.303 0.272 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@](O)(C(F)F)C1 ZINC000852121333 588665123 /nfs/dbraw/zinc/66/51/23/588665123.db2.gz OFMMXVGNKVKGSW-SNVBAGLBSA-N 1 0 219.231 0.338 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000852176346 588669756 /nfs/dbraw/zinc/66/97/56/588669756.db2.gz ANPVVHMOTQPIQP-RYUDHWBXSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000852186257 588670462 /nfs/dbraw/zinc/67/04/62/588670462.db2.gz YQTQJZXHIRCCBM-RYUDHWBXSA-N 1 0 211.305 0.587 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000852206293 588671713 /nfs/dbraw/zinc/67/17/13/588671713.db2.gz FXUQPFIDCUYVLU-RYUDHWBXSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CCOCC[NH+]1CCC(C2(O)CC2)CC1 ZINC000852208501 588672206 /nfs/dbraw/zinc/67/22/06/588672206.db2.gz GCQHIIZJPSBHTA-UHFFFAOYSA-N 1 0 223.316 0.873 20 30 BCEDRO C#CC1CC[NH+](C[C@H](COC)OC)CC1 ZINC000852207317 588672407 /nfs/dbraw/zinc/67/24/07/588672407.db2.gz DPGFRUXOKCPQMI-GFCCVEGCSA-N 1 0 211.305 0.993 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000852264086 588675202 /nfs/dbraw/zinc/67/52/02/588675202.db2.gz XJCCGMDAWGMCJT-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO C=CC[N@@H+](CCN1CCOC1=O)[C@@H](C)COC ZINC000852357839 588680059 /nfs/dbraw/zinc/68/00/59/588680059.db2.gz ITQPCROGZQWKDV-NSHDSACASA-N 1 0 242.319 0.962 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852432556 588682061 /nfs/dbraw/zinc/68/20/61/588682061.db2.gz KBPGDJXCOQNEDL-SNVBAGLBSA-N 1 0 208.261 0.536 20 30 BCEDRO C[C@@H](C#N)N(C[C@@H](O)C[NH+]1CCCC1)C1CC1 ZINC000852480955 588684137 /nfs/dbraw/zinc/68/41/37/588684137.db2.gz XWIYUKJVGNRKFF-AAEUAGOBSA-N 1 0 237.347 0.820 20 30 BCEDRO C#CCOCC[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000852500272 588685782 /nfs/dbraw/zinc/68/57/82/588685782.db2.gz JVJLWGFKJUUERZ-GHMZBOCLSA-N 1 0 211.305 0.585 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000852499949 588686055 /nfs/dbraw/zinc/68/60/55/588686055.db2.gz CSDUZZAPMMEMLB-PJXYFTJBSA-N 1 0 238.331 0.075 20 30 BCEDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000852559057 588690183 /nfs/dbraw/zinc/69/01/83/588690183.db2.gz NWCGKEHLPMQIIV-GMTAPVOTSA-N 1 0 212.293 0.760 20 30 BCEDRO C[C@H](O)[C@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000852559049 588690269 /nfs/dbraw/zinc/69/02/69/588690269.db2.gz NWCGKEHLPMQIIV-GARJFASQSA-N 1 0 212.293 0.760 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000852583559 588691902 /nfs/dbraw/zinc/69/19/02/588691902.db2.gz YBWZBRKXEZEZNR-QWRGUYRKSA-N 1 0 236.315 0.019 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000852652927 588694198 /nfs/dbraw/zinc/69/41/98/588694198.db2.gz HTWPHYHHOSLKAI-NSHDSACASA-N 1 0 223.320 0.697 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2[C@H]1CCC(=O)NC1=O ZINC000852687387 588696224 /nfs/dbraw/zinc/69/62/24/588696224.db2.gz JWXAMKGKDJGLHD-AXFHLTTASA-N 1 0 234.299 0.975 20 30 BCEDRO C[C@@H](C#N)OCCN1CCc2nccnc2C1 ZINC000852698813 588696846 /nfs/dbraw/zinc/69/68/46/588696846.db2.gz ZRHRKHPRJKFUDD-JTQLQIEISA-N 1 0 232.287 0.763 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000852705563 588697039 /nfs/dbraw/zinc/69/70/39/588697039.db2.gz YIGUXHVEDSLASP-RYUDHWBXSA-N 1 0 211.305 0.587 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC[C@@H]1COC(C)(C)O1 ZINC000852714156 588697571 /nfs/dbraw/zinc/69/75/71/588697571.db2.gz AVIKCALFBLJGEM-NXEZZACHSA-N 1 0 215.293 0.665 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@@H]1COCCO1 ZINC000852748866 588699734 /nfs/dbraw/zinc/69/97/34/588699734.db2.gz JEDDPCCHNYRWOP-GFCCVEGCSA-N 1 0 227.304 0.374 20 30 BCEDRO COc1cc(C(=O)NCCC[NH3+])ccc1C#N ZINC000852789786 588702804 /nfs/dbraw/zinc/70/28/04/588702804.db2.gz GFOLWPFFAICWLT-UHFFFAOYSA-N 1 0 233.271 0.645 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N1CCCC1 ZINC000852799131 588703932 /nfs/dbraw/zinc/70/39/32/588703932.db2.gz DKNYKJREQYUXSB-UHFFFAOYSA-N 1 0 206.289 0.612 20 30 BCEDRO CSCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852804040 588704484 /nfs/dbraw/zinc/70/44/84/588704484.db2.gz VJXQHTJPQJPLLH-UHFFFAOYSA-N 1 0 226.345 0.469 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N1CCSCC1 ZINC000852808286 588705019 /nfs/dbraw/zinc/70/50/19/588705019.db2.gz QGPDQWHKTPLCPK-UHFFFAOYSA-N 1 0 238.356 0.565 20 30 BCEDRO C[NH2+]CCN(C)C(=O)CC1(C#N)CCOCC1 ZINC000852826507 588705963 /nfs/dbraw/zinc/70/59/63/588705963.db2.gz LFSQSGOLSFFYTO-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO CCCn1nccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852827829 588706244 /nfs/dbraw/zinc/70/62/44/588706244.db2.gz QGBGDYRRBWTYJD-UWVGGRQHSA-N 1 0 247.302 0.134 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000852827285 588706250 /nfs/dbraw/zinc/70/62/50/588706250.db2.gz FVYGBINUMIMLOB-JCIQBVFBSA-N 1 0 233.315 0.650 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000852827578 588706296 /nfs/dbraw/zinc/70/62/96/588706296.db2.gz LKRQYRAIFAAHSE-KJPMQGKISA-N 1 0 219.288 0.260 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000852827576 588706377 /nfs/dbraw/zinc/70/63/77/588706377.db2.gz LKRQYRAIFAAHSE-GEVSDDDWSA-N 1 0 219.288 0.260 20 30 BCEDRO CO[C@@H]1CC[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000852827764 588706422 /nfs/dbraw/zinc/70/64/22/588706422.db2.gz PBYTWYRVEATBOT-MMWGEVLESA-N 1 0 237.303 0.029 20 30 BCEDRO CCCn1nccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852827830 588706474 /nfs/dbraw/zinc/70/64/74/588706474.db2.gz QGBGDYRRBWTYJD-VHSXEESVSA-N 1 0 247.302 0.134 20 30 BCEDRO COc1cc(C(=O)NC[C@H](C)[NH3+])ccc1C#N ZINC000852829943 588706690 /nfs/dbraw/zinc/70/66/90/588706690.db2.gz DVFBHGCSSMSDLW-QMMMGPOBSA-N 1 0 233.271 0.644 20 30 BCEDRO C=CC[C@]1(C(=O)NCc2ccon2)CCC[NH2+]1 ZINC000852839931 588707000 /nfs/dbraw/zinc/70/70/00/588707000.db2.gz HGNJULQRCMMAPG-GFCCVEGCSA-N 1 0 235.287 0.989 20 30 BCEDRO C=CCCNC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000852845082 588707580 /nfs/dbraw/zinc/70/75/80/588707580.db2.gz CKQJBXWPLWWFSM-UHFFFAOYSA-N 1 0 220.276 0.361 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852843276 588707687 /nfs/dbraw/zinc/70/76/87/588707687.db2.gz UVCOXHBQCRWFJD-HTQZYQBOSA-N 1 0 211.265 0.171 20 30 BCEDRO C=CC[C@]1(C(=O)N2CC[C@@H](OC)C2)CCC[NH2+]1 ZINC000852842996 588707818 /nfs/dbraw/zinc/70/78/18/588707818.db2.gz NFNOCTYGWWKVFQ-DGCLKSJQSA-N 1 0 238.331 0.932 20 30 BCEDRO Cn1ccsc1=NC(=O)C#CC1CC[NH2+]CC1 ZINC000852853864 588708391 /nfs/dbraw/zinc/70/83/91/588708391.db2.gz UOFPEZVZKOVZRC-UHFFFAOYSA-N 1 0 249.339 0.517 20 30 BCEDRO C=CCOCCCNC(=O)[C@]1(F)CC[NH2+]C1 ZINC000852855472 588708572 /nfs/dbraw/zinc/70/85/72/588708572.db2.gz ZSMNYGYMNUGQBT-NSHDSACASA-N 1 0 230.283 0.397 20 30 BCEDRO C=CC[C@]1(C(=O)NCc2nncn2C)CCC[NH2+]1 ZINC000852859263 588708976 /nfs/dbraw/zinc/70/89/76/588708976.db2.gz QXBFSFRQEYTVHZ-GFCCVEGCSA-N 1 0 249.318 0.130 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)Nc1c[nH]ccc1=O ZINC000852859824 588709196 /nfs/dbraw/zinc/70/91/96/588709196.db2.gz BKPWLJICASBKKJ-UHFFFAOYSA-N 1 0 245.282 0.316 20 30 BCEDRO C[C@@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+](C)C ZINC000852862035 588709253 /nfs/dbraw/zinc/70/92/53/588709253.db2.gz QQLDPYROIMVPIQ-NSHDSACASA-N 1 0 237.347 0.056 20 30 BCEDRO CN(C(=O)C#CC1CC[NH2+]CC1)c1cnn(C)c1 ZINC000852869950 588709654 /nfs/dbraw/zinc/70/96/54/588709654.db2.gz HXNRICZUFPWNCT-UHFFFAOYSA-N 1 0 246.314 0.386 20 30 BCEDRO CCC(F)(F)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852874559 588709937 /nfs/dbraw/zinc/70/99/37/588709937.db2.gz AVJCPQIIIWDNGZ-NKWVEPMBSA-N 1 0 217.219 0.259 20 30 BCEDRO C#CCCCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861609060 589170248 /nfs/dbraw/zinc/17/02/48/589170248.db2.gz BFNFSDSHLHKKAN-WDEREUQCSA-N 1 0 223.320 0.840 20 30 BCEDRO C#CCCCCNC(=O)NCCOCCC[NH3+] ZINC000861609127 589170313 /nfs/dbraw/zinc/17/03/13/589170313.db2.gz CLEMUFMDBWSPMQ-UHFFFAOYSA-N 1 0 241.335 0.455 20 30 BCEDRO C#C[C@H](NC(=O)N(C)C[C@@H](C)[NH3+])[C@H]1CCCO1 ZINC000861618356 589170517 /nfs/dbraw/zinc/17/05/17/589170517.db2.gz RUHMCYPVOUYCCJ-OUAUKWLOSA-N 1 0 239.319 0.156 20 30 BCEDRO C=CCOCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861620391 589170536 /nfs/dbraw/zinc/17/05/36/589170536.db2.gz YGXYYENGVKWHOA-VIFPVBQESA-N 1 0 215.297 0.178 20 30 BCEDRO C=CCOCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861620382 589170616 /nfs/dbraw/zinc/17/06/16/589170616.db2.gz YGXYYENGVKWHOA-SECBINFHSA-N 1 0 215.297 0.178 20 30 BCEDRO C#C[C@H](NC(=O)N(C)C[C@H](C)[NH3+])C(C)C ZINC000861633607 589171410 /nfs/dbraw/zinc/17/14/10/589171410.db2.gz QZYVKYXHVBPKPG-UWVGGRQHSA-N 1 0 211.309 0.633 20 30 BCEDRO C#C[C@H](NC(=O)NCCOCC[NH2+]C)C(C)C ZINC000861633845 589171414 /nfs/dbraw/zinc/17/14/14/589171414.db2.gz VNEYHPJGXUQKTN-NSHDSACASA-N 1 0 241.335 0.179 20 30 BCEDRO C#C[C@H](NC(=O)N(C)CCOCC[NH3+])C(C)C ZINC000861632521 589171462 /nfs/dbraw/zinc/17/14/62/589171462.db2.gz FYXQJLHGOCZFBH-NSHDSACASA-N 1 0 241.335 0.261 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861648433 589172939 /nfs/dbraw/zinc/17/29/39/589172939.db2.gz WHHJAPXHOHRERJ-VWYCJHECSA-N 1 0 241.335 0.566 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861683858 589174058 /nfs/dbraw/zinc/17/40/58/589174058.db2.gz BVFPNRUVWFPBHL-WDEREUQCSA-N 1 0 239.319 0.076 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861675071 589174156 /nfs/dbraw/zinc/17/41/56/589174156.db2.gz FEJHYQPZGWPNFT-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C=C(Cl)CNC(=O)NCCOCCC[NH3+] ZINC000861690408 589174491 /nfs/dbraw/zinc/17/44/91/589174491.db2.gz BSSNYIQXDYLYTE-UHFFFAOYSA-N 1 0 235.715 0.404 20 30 BCEDRO C#CCN(CC)C(=O)NCCOCCC[NH3+] ZINC000861692036 589174895 /nfs/dbraw/zinc/17/48/95/589174895.db2.gz UXIBRAYDJSSPND-UHFFFAOYSA-N 1 0 227.308 0.017 20 30 BCEDRO C#CCN(C(=O)NCCOCCC[NH3+])C1CC1 ZINC000861692771 589174944 /nfs/dbraw/zinc/17/49/44/589174944.db2.gz JOELMSMEYRYPAT-UHFFFAOYSA-N 1 0 239.319 0.159 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861702710 589175126 /nfs/dbraw/zinc/17/51/26/589175126.db2.gz VWHIANUWBYMCOZ-LPEHRKFASA-N 1 0 209.293 0.400 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCc2[nH]cnc2C1 ZINC000861761293 589177028 /nfs/dbraw/zinc/17/70/28/589177028.db2.gz BIMPWNOSGXQROV-UHFFFAOYSA-N 1 0 234.303 0.412 20 30 BCEDRO CCCCCCCNC(=O)C(=O)N(C)CC[NH3+] ZINC000861785431 589178442 /nfs/dbraw/zinc/17/84/42/589178442.db2.gz HJLRPALAIDMZQB-UHFFFAOYSA-N 1 0 243.351 0.490 20 30 BCEDRO C=C[C@H](O)C(=O)N(CC)C1CC[NH+](C)CC1 ZINC000861890795 589182461 /nfs/dbraw/zinc/18/24/61/589182461.db2.gz MTODCXSRKJUFLR-NSHDSACASA-N 1 0 226.320 0.476 20 30 BCEDRO CC#CC(=O)N(CC)C1CC[NH+](C)CC1 ZINC000861892311 589182767 /nfs/dbraw/zinc/18/27/67/589182767.db2.gz FRXLCLSLJDZSKO-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861911956 589183016 /nfs/dbraw/zinc/18/30/16/589183016.db2.gz IPDUKRJIKUJKIU-PJXYFTJBSA-N 1 0 220.316 0.808 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cnn(CC)n1 ZINC000862382152 589206523 /nfs/dbraw/zinc/20/65/23/589206523.db2.gz QOXSXCVJCQDPSV-UHFFFAOYSA-N 1 0 237.307 0.032 20 30 BCEDRO C#CC[C@@H]1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)C1 ZINC000862566315 589223145 /nfs/dbraw/zinc/22/31/45/589223145.db2.gz LUXNDYLWHOBHGA-NEPJUHHUSA-N 1 0 220.316 0.810 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@]1(C)OCC ZINC000862863654 589244915 /nfs/dbraw/zinc/24/49/15/589244915.db2.gz OPAOPDIDMZEIEW-PWSUYJOCSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863034979 589252665 /nfs/dbraw/zinc/25/26/65/589252665.db2.gz QWMYYVOHIRBCHX-LLVKDONJSA-N 1 0 206.289 0.753 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnc(C3CC3)o2)N1 ZINC000863105722 589256681 /nfs/dbraw/zinc/25/66/81/589256681.db2.gz YRGNENHITBEKKJ-SSDOTTSWSA-N 1 0 233.275 0.823 20 30 BCEDRO c1nc2c(s1)CCCC2=NNC1=[NH+]CCN1 ZINC000863119866 589260495 /nfs/dbraw/zinc/26/04/95/589260495.db2.gz JMLVVWFFRCVUCB-UHFFFAOYSA-N 1 0 235.316 0.732 20 30 BCEDRO C[C@H]1C[N@@H+](C2CC2)CC1N=NCC(C)(C)O ZINC000863138080 589262084 /nfs/dbraw/zinc/26/20/84/589262084.db2.gz YRRGSRPKJBERAG-VIFPVBQESA-N 1 0 225.336 0.817 20 30 BCEDRO Cc1cc(N=NC2CC[NH+](CCO)CC2)ccn1 ZINC000863160421 589265175 /nfs/dbraw/zinc/26/51/75/589265175.db2.gz DHUDGMVYIBEINV-UHFFFAOYSA-N 1 0 248.330 0.668 20 30 BCEDRO C=CCN1CC[C@H](N(C)C[C@@H](C)[NH3+])C1=O ZINC000863567334 589299347 /nfs/dbraw/zinc/29/93/47/589299347.db2.gz CJYYDUYMQVEVNF-ZJUUUORDSA-N 1 0 211.309 0.052 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000863588738 589301055 /nfs/dbraw/zinc/30/10/55/589301055.db2.gz FDLKONWNVKQCIN-VHSXEESVSA-N 1 0 233.333 0.047 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)COC(C)C ZINC000863588554 589302489 /nfs/dbraw/zinc/30/24/89/589302489.db2.gz BSDFPHIPUAVEJN-QWHCGFSZSA-N 1 0 243.347 0.790 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863589572 589302599 /nfs/dbraw/zinc/30/25/99/589302599.db2.gz RLGSZTBVRIUWDL-RYUDHWBXSA-N 1 0 236.315 0.669 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1C[C@@H](OC)C1 ZINC000863588647 589302662 /nfs/dbraw/zinc/30/26/62/589302662.db2.gz RXOZQEVTDKGSIC-PHIMTYICSA-N 1 0 224.304 0.141 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)CCOCC ZINC000863589354 589302746 /nfs/dbraw/zinc/30/27/46/589302746.db2.gz NCACHTAASBIKSF-RYUDHWBXSA-N 1 0 229.320 0.402 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000863589292 589302833 /nfs/dbraw/zinc/30/28/33/589302833.db2.gz LYFXTHCMJBNDAC-WDEREUQCSA-N 1 0 247.360 0.438 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)CCCC[NH+](C)C ZINC000863799119 589318650 /nfs/dbraw/zinc/31/86/50/589318650.db2.gz GCBCITZHKBLFFB-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000863804435 589320152 /nfs/dbraw/zinc/32/01/52/589320152.db2.gz FSABDBNBCBCKGO-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCN(CC#C)C(=O)C[N@@H+](C)C1CCC1 ZINC000863900517 589324560 /nfs/dbraw/zinc/32/45/60/589324560.db2.gz XANSZYDQBVUMKK-UHFFFAOYSA-N 1 0 218.300 0.566 20 30 BCEDRO N#CCC1CN(C(=O)[C@@]23CC[N@H+](C2)CCC3)C1 ZINC000864068846 589338754 /nfs/dbraw/zinc/33/87/54/589338754.db2.gz VXLPTSRZFQCXDJ-ZDUSSCGKSA-N 1 0 233.315 0.844 20 30 BCEDRO CNC(NCc1ccc(N(C)C(C)=O)cc1)=[NH+]C ZINC000864355663 589355158 /nfs/dbraw/zinc/35/51/58/589355158.db2.gz JIAYXRSLXVJSHM-UHFFFAOYSA-N 1 0 248.330 0.964 20 30 BCEDRO CNC(NCCOCC(=O)OC(C)(C)C)=[NH+]C ZINC000864358147 589355588 /nfs/dbraw/zinc/35/55/88/589355588.db2.gz LLBSPFNADHYHLM-UHFFFAOYSA-N 1 0 245.323 0.140 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])N[C@@H]2C[C@H]2C)nn1 ZINC000864470154 589372848 /nfs/dbraw/zinc/37/28/48/589372848.db2.gz WEBQZTHKARAOQR-PSASIEDQSA-N 1 0 234.307 0.486 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])N[C@@H]2C[C@@H]2C)nn1 ZINC000864470156 589372986 /nfs/dbraw/zinc/37/29/86/589372986.db2.gz WEBQZTHKARAOQR-WCBMZHEXSA-N 1 0 234.307 0.486 20 30 BCEDRO C#CCNC(=S)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000865258056 589417008 /nfs/dbraw/zinc/41/70/08/589417008.db2.gz QYLBGCJTJCBLEG-UHFFFAOYSA-N 1 0 239.388 0.910 20 30 BCEDRO C#CCNC(=S)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000865267596 589417163 /nfs/dbraw/zinc/41/71/63/589417163.db2.gz RMVVUWYXNGPJTQ-MNOVXSKESA-N 1 0 237.372 0.520 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000865345312 589423003 /nfs/dbraw/zinc/42/30/03/589423003.db2.gz ZPFLOWFQKNKWGG-UWVGGRQHSA-N 1 0 207.277 0.156 20 30 BCEDRO C[C@H](O)[C@H](O)C[NH2+]C1CCC(C)(C#N)CC1 ZINC000865737756 589459463 /nfs/dbraw/zinc/45/94/63/589459463.db2.gz DUDWFEGNUUEVNY-UZEXVOJHSA-N 1 0 226.320 0.790 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3ccc(C#N)nn3)CC[C@H]21 ZINC000866205496 589479955 /nfs/dbraw/zinc/47/99/55/589479955.db2.gz MSRWRDOLOZKEHL-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3cncc(C#N)n3)CC[C@H]21 ZINC000866205774 589479958 /nfs/dbraw/zinc/47/99/58/589479958.db2.gz AGYHOBWLSBGVEN-ZYHUDNBSSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3ncncc3C#N)CC[C@@H]21 ZINC000866205719 589480157 /nfs/dbraw/zinc/48/01/57/589480157.db2.gz AAUPLHQUVCTLQH-JQWIXIFHSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3cc(C#N)cnn3)CC[C@H]21 ZINC000866209393 589480402 /nfs/dbraw/zinc/48/04/02/589480402.db2.gz RRBGKQXRSSSSCS-NWDGAFQWSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3cnc(C#N)cn3)CC[C@@H]21 ZINC000866207180 589480643 /nfs/dbraw/zinc/48/06/43/589480643.db2.gz VPTGMAYWKINKAM-PWSUYJOCSA-N 1 0 243.314 0.879 20 30 BCEDRO C#CCOCCC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000121099651 589498572 /nfs/dbraw/zinc/49/85/72/589498572.db2.gz SDGUEGHHUBXGQI-LBPRGKRZSA-N 1 0 238.331 0.483 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000866613305 589505092 /nfs/dbraw/zinc/50/50/92/589505092.db2.gz ARSYNPNDDKQBFE-TVQRCGJNSA-N 1 0 243.310 0.879 20 30 BCEDRO C#C[C@@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000867501898 589523461 /nfs/dbraw/zinc/52/34/61/589523461.db2.gz NENXQCYDPOUKCW-SNVBAGLBSA-N 1 0 234.303 0.196 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)/C=C/CN1CCOCC1 ZINC000867839482 589536407 /nfs/dbraw/zinc/53/64/07/589536407.db2.gz CGLDEVQUGVSLKZ-FYJFLYSWSA-N 1 0 236.315 0.355 20 30 BCEDRO N#Cc1cc(C(=O)NCC2CC[NH2+]CC2)co1 ZINC000867965917 589541763 /nfs/dbraw/zinc/54/17/63/589541763.db2.gz JFNWCICCVMBLDX-UHFFFAOYSA-N 1 0 233.271 0.881 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)C1([NH3+])CC1)C2 ZINC000868038542 589545548 /nfs/dbraw/zinc/54/55/48/589545548.db2.gz VSFMUXIXUJPGQR-GFCCVEGCSA-N 1 0 241.294 0.633 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2coc(C#N)c2)C1 ZINC000868519456 589562407 /nfs/dbraw/zinc/56/24/07/589562407.db2.gz BTGVTLSGNOMFBK-CABZTGNLSA-N 1 0 245.282 0.927 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CCC)CCO ZINC000869869255 589633872 /nfs/dbraw/zinc/63/38/72/589633872.db2.gz VQOHEMUFELLCEU-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)/C=C/COC ZINC000870194090 589648495 /nfs/dbraw/zinc/64/84/95/589648495.db2.gz IRUUEWXXOCZROR-HOSRBBHYSA-N 1 0 237.299 0.830 20 30 BCEDRO C=C[C@H](OC(=O)[C@@H](C(C)C)[NH+](C)C)C(=O)OC ZINC000870532537 589672009 /nfs/dbraw/zinc/67/20/09/589672009.db2.gz WTGUTMRBNMDZON-VHSXEESVSA-N 1 0 243.303 0.843 20 30 BCEDRO N#Cc1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)co1 ZINC000870935777 589698442 /nfs/dbraw/zinc/69/84/42/589698442.db2.gz SMIIBMIREPKPGW-VIFPVBQESA-N 1 0 233.271 0.881 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)c1sccc1CC#N ZINC000870942372 589699765 /nfs/dbraw/zinc/69/97/65/589699765.db2.gz MCWFSYQXHCETQJ-SSDOTTSWSA-N 1 0 223.301 0.891 20 30 BCEDRO CN(C(=O)c1coc(C#N)c1)C1CC([NH3+])C1 ZINC000870944533 589700057 /nfs/dbraw/zinc/70/00/57/589700057.db2.gz IGYLPXYDFROUIA-UHFFFAOYSA-N 1 0 219.244 0.713 20 30 BCEDRO N#Cc1cc(C(=O)NC[C@H]2C[NH2+]CCCO2)co1 ZINC000870945931 589700301 /nfs/dbraw/zinc/70/03/01/589700301.db2.gz ZBAXEPWNJSIPHF-LLVKDONJSA-N 1 0 249.270 0.260 20 30 BCEDRO N#Cc1cc(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)co1 ZINC000870964309 589701946 /nfs/dbraw/zinc/70/19/46/589701946.db2.gz XMZQKADZQBTGIC-OTSSQURYSA-N 1 0 219.244 0.618 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000870968554 589702868 /nfs/dbraw/zinc/70/28/68/589702868.db2.gz YDEWACYZGRAFRA-MXWKQRLJSA-N 1 0 226.320 0.821 20 30 BCEDRO CN(C)CC(=O)Nc1nc2cc(C#N)ccc2[nH]1 ZINC000871069891 589719916 /nfs/dbraw/zinc/71/99/16/589719916.db2.gz BAYYNTOTNRFZPQ-UHFFFAOYSA-N 1 0 243.270 0.935 20 30 BCEDRO C#C[C@@H](CCC)NC(=[NH2+])N(C)CCOC ZINC000871604421 589774249 /nfs/dbraw/zinc/77/42/49/589774249.db2.gz CCUFIXZUQQMYCU-JTQLQIEISA-N 1 0 211.309 0.891 20 30 BCEDRO COCCN(C)C(=[NH2+])NCC1(C#N)CC1 ZINC000871606956 589775049 /nfs/dbraw/zinc/77/50/49/589775049.db2.gz SYUUSBDKMKDDSU-UHFFFAOYSA-N 1 0 210.281 0.393 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000871930668 589834155 /nfs/dbraw/zinc/83/41/55/589834155.db2.gz ZDCJDKCCPYEIFJ-WDEREUQCSA-N 1 0 246.314 0.446 20 30 BCEDRO C=CCOCCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000871983031 589853230 /nfs/dbraw/zinc/85/32/30/589853230.db2.gz OXAKYHLERRGMAC-NSHDSACASA-N 1 0 231.336 0.691 20 30 BCEDRO C=CCCc1noc([C@@H](N)C[NH+](C)C)n1 ZINC000872182780 589888524 /nfs/dbraw/zinc/88/85/24/589888524.db2.gz QMVXRVFGACRTLY-QMMMGPOBSA-N 1 0 210.281 0.750 20 30 BCEDRO CC(C)(O)C[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000872207266 589890969 /nfs/dbraw/zinc/89/09/69/589890969.db2.gz RAYMNSXETPJHSS-VIFPVBQESA-N 1 0 212.293 0.402 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872209184 589893595 /nfs/dbraw/zinc/89/35/95/589893595.db2.gz MQCXXDDZAIZAMT-GFCCVEGCSA-N 1 0 242.363 0.053 20 30 BCEDRO CC(C)(O)C[C@@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000872210323 589894041 /nfs/dbraw/zinc/89/40/41/589894041.db2.gz VXXIRSLTXUOOLJ-HBNTYKKESA-N 1 0 226.320 0.790 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872214705 589894512 /nfs/dbraw/zinc/89/45/12/589894512.db2.gz BUGIFYUITPJKQP-GHMZBOCLSA-N 1 0 231.336 0.283 20 30 BCEDRO C[C@@H](O)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000872238624 589898794 /nfs/dbraw/zinc/89/87/94/589898794.db2.gz IYIVRWSQHTZCEB-RNCFNFMXSA-N 1 0 216.284 0.996 20 30 BCEDRO COC[C@@H](O)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000872239082 589898896 /nfs/dbraw/zinc/89/88/96/589898896.db2.gz NLKMABRVLFCYGB-KBPBESRZSA-N 1 0 246.310 0.622 20 30 BCEDRO c1nncn1[NH+]=C1CCCC2(C1)OCCO2 ZINC000872324284 589912585 /nfs/dbraw/zinc/91/25/85/589912585.db2.gz OTRLYXJWBLYYSP-UHFFFAOYSA-N 1 0 222.248 0.799 20 30 BCEDRO C[NH+]1CCC(C=NN2CN=NC2=O)CC1 ZINC000872361681 589919427 /nfs/dbraw/zinc/91/94/27/589919427.db2.gz LZCFLZYBMIBZAV-UHFFFAOYSA-N 1 0 209.253 0.159 20 30 BCEDRO Cc1ccc(C=NNC2=[NH+]C[C@@H](C)N2)c(O)c1 ZINC000872363318 589920046 /nfs/dbraw/zinc/92/00/46/589920046.db2.gz BYLWTJRXRDMYML-SECBINFHSA-N 1 0 232.287 0.972 20 30 BCEDRO C[C@@H]1C(N=Nc2ccncc2)CC[N@@H+]1C ZINC000872363958 589920850 /nfs/dbraw/zinc/92/08/50/589920850.db2.gz YATAUPOREGOADT-SECBINFHSA-N 1 0 204.277 0.995 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cn(C3CC3)cn2)N1 ZINC000872365018 589920884 /nfs/dbraw/zinc/92/08/84/589920884.db2.gz ZNGHKJMHJVMASC-QMMMGPOBSA-N 1 0 232.291 0.489 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCN(C)[C@@H]2C)=[NH+]1 ZINC000872364621 589920904 /nfs/dbraw/zinc/92/09/04/589920904.db2.gz PGUSDZZBLNFJCO-HTQZYQBOSA-N 1 0 209.297 0.004 20 30 BCEDRO C[C@@H](C[NH3+])Nc1cc(C#N)nc(C2CC2)n1 ZINC000872773977 589967185 /nfs/dbraw/zinc/96/71/85/589967185.db2.gz AVTORVLDFCUTLD-ZETCQYMHSA-N 1 0 217.276 0.985 20 30 BCEDRO C=C(Br)CNC(=O)[C@@H](C)[NH+](C)C ZINC000874214322 590097041 /nfs/dbraw/zinc/09/70/41/590097041.db2.gz ZVPQGUULTWVRPN-SSDOTTSWSA-N 1 0 235.125 0.961 20 30 BCEDRO CN(C(=O)C[NH+]1CCCC1)C1(C#N)CCC1 ZINC000874175209 590095542 /nfs/dbraw/zinc/09/55/42/590095542.db2.gz TXSSJAXPVGMXCE-UHFFFAOYSA-N 1 0 221.304 0.987 20 30 BCEDRO CCC[C@@H](C#N)NC(=O)C[NH+]1CCCC1 ZINC000874262842 590100394 /nfs/dbraw/zinc/10/03/94/590100394.db2.gz MBNFUYSKRZQDCW-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[NH+]1CCCC1 ZINC000874357866 590105947 /nfs/dbraw/zinc/10/59/47/590105947.db2.gz GOIWXHIFSAKFBS-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874825047 590142375 /nfs/dbraw/zinc/14/23/75/590142375.db2.gz IILNTUGQDJHDOR-AXFHLTTASA-N 1 0 224.304 0.228 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874825050 590142688 /nfs/dbraw/zinc/14/26/88/590142688.db2.gz IILNTUGQDJHDOR-MXWKQRLJSA-N 1 0 224.304 0.228 20 30 BCEDRO CON=CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874831094 590144009 /nfs/dbraw/zinc/14/40/09/590144009.db2.gz XZUNGNXNYCNKSZ-UWVGGRQHSA-N 1 0 225.292 0.314 20 30 BCEDRO C#CCSCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000125457067 590165199 /nfs/dbraw/zinc/16/51/99/590165199.db2.gz KQNMAKQXAVYZFM-JTQLQIEISA-N 1 0 241.360 0.436 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000875649702 590167690 /nfs/dbraw/zinc/16/76/90/590167690.db2.gz VJHPKNGTYICGDU-QWRGUYRKSA-N 1 0 239.319 0.840 20 30 BCEDRO [NH2+]=C(NCCOCCO)N1CCCCCC1 ZINC000125864891 590193869 /nfs/dbraw/zinc/19/38/69/590193869.db2.gz LOYYWOZTRZADQG-UHFFFAOYSA-N 1 0 229.324 0.186 20 30 BCEDRO CC(C)NC(=O)CNC(=[NH2+])N1CCCCCC1 ZINC000125899966 590196500 /nfs/dbraw/zinc/19/65/00/590196500.db2.gz LOENKLCOQRGHAO-UHFFFAOYSA-N 1 0 240.351 0.702 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C#N)CC1 ZINC000876449889 590201204 /nfs/dbraw/zinc/20/12/04/590201204.db2.gz RIYVAOVBEOQASC-LLVKDONJSA-N 1 0 233.315 0.702 20 30 BCEDRO CC(C)(C)C#CC(=O)N[C@H]1CCC[NH2+]C1 ZINC000876508274 590204834 /nfs/dbraw/zinc/20/48/34/590204834.db2.gz KYLDNPGTSMMKRB-JTQLQIEISA-N 1 0 208.305 0.904 20 30 BCEDRO C[C@H]1C[NH2+]CCN1C(=O)C#CC(C)(C)C ZINC000876515593 590206343 /nfs/dbraw/zinc/20/63/43/590206343.db2.gz VMXAZPFPDLMKII-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO CC(C)(C)C#CC(=O)NCC[NH2+]C1CC1 ZINC000876522621 590207929 /nfs/dbraw/zinc/20/79/29/590207929.db2.gz XPKAJITVNLZKSR-UHFFFAOYSA-N 1 0 208.305 0.904 20 30 BCEDRO C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1C[NH3+] ZINC000876534622 590210920 /nfs/dbraw/zinc/21/09/20/590210920.db2.gz SMNSWQUULPBLOB-ZYHUDNBSSA-N 1 0 220.316 0.986 20 30 BCEDRO CC(C)[C@](C)(C[NH3+])NC(=O)C#CC1CC1 ZINC000876536899 590211315 /nfs/dbraw/zinc/21/13/15/590211315.db2.gz UJHOALCMTYBLMQ-LBPRGKRZSA-N 1 0 208.305 0.889 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000876544977 590213236 /nfs/dbraw/zinc/21/32/36/590213236.db2.gz DEDVFGQLZCRRDC-IUCAKERBSA-N 1 0 232.711 0.752 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCOCC1 ZINC000876545581 590213661 /nfs/dbraw/zinc/21/36/61/590213661.db2.gz JZGCKDWIZIXWQY-QMMMGPOBSA-N 1 0 218.684 0.315 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCOCC ZINC000876548302 590214099 /nfs/dbraw/zinc/21/40/99/590214099.db2.gz BJFYZQZCPUAPFL-SECBINFHSA-N 1 0 234.727 0.999 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)NCC ZINC000876564931 590216174 /nfs/dbraw/zinc/21/61/74/590216174.db2.gz OBPAMEVGXCAZGD-SFYZADRCSA-N 1 0 247.726 0.097 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCC ZINC000876564930 590216335 /nfs/dbraw/zinc/21/63/35/590216335.db2.gz OBPAMEVGXCAZGD-JGVFFNPUSA-N 1 0 247.726 0.097 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)OCC ZINC000876576833 590217699 /nfs/dbraw/zinc/21/76/99/590217699.db2.gz RGOSWWRJUZEWHC-SSDOTTSWSA-N 1 0 234.683 0.136 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC)C(=O)OC ZINC000876579656 590218778 /nfs/dbraw/zinc/21/87/78/590218778.db2.gz JPZSBPMXLOMVRG-YUMQZZPRSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccnn1C ZINC000876597336 590220152 /nfs/dbraw/zinc/22/01/52/590220152.db2.gz RWKNBOINDMDTIR-VIFPVBQESA-N 1 0 242.710 0.506 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(C)(C)C(N)=O ZINC000876604476 590221102 /nfs/dbraw/zinc/22/11/02/590221102.db2.gz KDWPXTRGGULLEK-SSDOTTSWSA-N 1 0 247.726 0.084 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCC(=O)NC ZINC000876603911 590221346 /nfs/dbraw/zinc/22/13/46/590221346.db2.gz DWMOYBIZHAXGTL-QMMMGPOBSA-N 1 0 247.726 0.099 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)OCC ZINC000876617553 590222645 /nfs/dbraw/zinc/22/26/45/590222645.db2.gz BRANOBHFBXJVCK-HTQZYQBOSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C(N)=O)C(C)C ZINC000876651609 590223490 /nfs/dbraw/zinc/22/34/90/590223490.db2.gz AMXLWONYWPDUEX-YUMQZZPRSA-N 1 0 247.726 0.082 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C)(C)COC ZINC000876632216 590224558 /nfs/dbraw/zinc/22/45/58/590224558.db2.gz QINAMSLKQMCUHM-MRVPVSSYSA-N 1 0 234.727 0.998 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](O)[C@@H](C)CC ZINC000876658775 590227074 /nfs/dbraw/zinc/22/70/74/590227074.db2.gz FWQPYRBOMOTEJZ-HGNGGELXSA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ccon1 ZINC000876664083 590227986 /nfs/dbraw/zinc/22/79/86/590227986.db2.gz MITNMWIPNINKMR-QMMMGPOBSA-N 1 0 229.667 0.761 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876668954 590228177 /nfs/dbraw/zinc/22/81/77/590228177.db2.gz WVOGZZYIENJSIT-DJLDLDEBSA-N 1 0 200.257 0.625 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)C[C@H]1CCOC1 ZINC000876696843 590231682 /nfs/dbraw/zinc/23/16/82/590231682.db2.gz ZIIDNVIPQSGBOR-ZJUUUORDSA-N 1 0 246.738 0.951 20 30 BCEDRO CCCCNC(=[NH2+])NC[C@]1(CCO)CCOC1 ZINC000126134107 590237240 /nfs/dbraw/zinc/23/72/40/590237240.db2.gz YSQKEKKTEWAGSO-LBPRGKRZSA-N 1 0 243.351 0.480 20 30 BCEDRO C[C@@H]1CN(C(=O)C#CC2CC2)[C@@H](C)C[NH2+]1 ZINC000876796747 590242708 /nfs/dbraw/zinc/24/27/08/590242708.db2.gz NIGFXGBHSGGTSJ-ZJUUUORDSA-N 1 0 206.289 0.609 20 30 BCEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801760 590243106 /nfs/dbraw/zinc/24/31/06/590243106.db2.gz ILNMVORKBXZSIE-CNOCOONNSA-N 1 0 233.315 0.506 20 30 BCEDRO C[C@]1(CNC(=O)C#CC2CC2)CCC[NH2+]C1 ZINC000876800867 590243192 /nfs/dbraw/zinc/24/31/92/590243192.db2.gz WFPMVKSDHWLKAA-ZDUSSCGKSA-N 1 0 220.316 0.906 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCC12CC2 ZINC000876801325 590243296 /nfs/dbraw/zinc/24/32/96/590243296.db2.gz BBCMHTZPNFDPJF-MXWKQRLJSA-N 1 0 233.315 0.794 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C12CC(C1)C2 ZINC000876801401 590243468 /nfs/dbraw/zinc/24/34/68/590243468.db2.gz BVICUPAEZNHEDL-QMFGVRBNSA-N 1 0 205.261 0.014 20 30 BCEDRO CC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC(F)(F)C1 ZINC000876803891 590243719 /nfs/dbraw/zinc/24/37/19/590243719.db2.gz YUODRKMIRNEQHT-HTQZYQBOSA-N 1 0 243.257 0.650 20 30 BCEDRO CNc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000876803018 590243872 /nfs/dbraw/zinc/24/38/72/590243872.db2.gz UEKMTBFPVQVYJQ-CMPLNLGQSA-N 1 0 244.298 0.570 20 30 BCEDRO CCC[C@H](OCC)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876803912 590243929 /nfs/dbraw/zinc/24/39/29/590243929.db2.gz ZKROLSMPQNITNH-AXFHLTTASA-N 1 0 239.319 0.419 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@]1(C)CCOC1 ZINC000876806243 590244387 /nfs/dbraw/zinc/24/43/87/590244387.db2.gz LVGMHJWUPJBQGD-WCBMZHEXSA-N 1 0 232.711 0.752 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1ncon1 ZINC000876806830 590244806 /nfs/dbraw/zinc/24/48/06/590244806.db2.gz VFJTYRXPPLWAGL-NKWVEPMBSA-N 1 0 244.682 0.717 20 30 BCEDRO C[C@H]1[NH2+]CCN(C(=O)C#CC2CC2)[C@@H]1C ZINC000876831826 590247550 /nfs/dbraw/zinc/24/75/50/590247550.db2.gz KRZVSLDMJPEFMP-NXEZZACHSA-N 1 0 206.289 0.609 20 30 BCEDRO CC[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1[NH3+] ZINC000876834606 590248017 /nfs/dbraw/zinc/24/80/17/590248017.db2.gz SVESMHWRCZAYAR-NEPJUHHUSA-N 1 0 220.316 0.986 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](C)OC ZINC000876882360 590252719 /nfs/dbraw/zinc/25/27/19/590252719.db2.gz GZTMRPATRMUJPO-JGVFFNPUSA-N 1 0 220.700 0.607 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCOC1 ZINC000876885100 590253333 /nfs/dbraw/zinc/25/33/33/590253333.db2.gz VFUHCVMOTGEZSU-SFYZADRCSA-N 1 0 218.684 0.361 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCNC(C)=O ZINC000876937236 590258788 /nfs/dbraw/zinc/25/87/88/590258788.db2.gz SXEICRHPKPYSRK-VIFPVBQESA-N 1 0 247.726 0.051 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC1(COC)CC1 ZINC000876952614 590260244 /nfs/dbraw/zinc/26/02/44/590260244.db2.gz VCJCMIGRDQQUGS-VIFPVBQESA-N 1 0 246.738 0.999 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876974730 590263713 /nfs/dbraw/zinc/26/37/13/590263713.db2.gz QZYMKNCYSLHPEV-UWVGGRQHSA-N 1 0 230.283 0.253 20 30 BCEDRO C[C@@]1(NC(=O)c2coc(C#N)c2)CC[NH2+]C1 ZINC000876981552 590264561 /nfs/dbraw/zinc/26/45/61/590264561.db2.gz VMQQOLUMCCBJST-LLVKDONJSA-N 1 0 219.244 0.633 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)C2=NO[C@H](C[NH3+])C2)C1 ZINC000876994935 590266688 /nfs/dbraw/zinc/26/66/88/590266688.db2.gz SNMDEVQZCABSTH-ZJUUUORDSA-N 1 0 237.303 0.515 20 30 BCEDRO C[NH2+]CCOCCNC(=O)c1coc(C#N)c1 ZINC000877024182 590270504 /nfs/dbraw/zinc/27/05/04/590270504.db2.gz UEHFWAGEBOHDPM-UHFFFAOYSA-N 1 0 237.259 0.117 20 30 BCEDRO C#CCSCC[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000877047624 590274371 /nfs/dbraw/zinc/27/43/71/590274371.db2.gz BWYUUORTLAWCNO-NWDGAFQWSA-N 1 0 243.372 0.994 20 30 BCEDRO C=CCCCC(=O)N(C)CCOCC[NH3+] ZINC000877057437 590275775 /nfs/dbraw/zinc/27/57/75/590275775.db2.gz DOAVMXCKVHJMBH-UHFFFAOYSA-N 1 0 214.309 0.776 20 30 BCEDRO C=CCCOCC(=O)N(C)C[C@@H](C)[NH3+] ZINC000877098800 590282546 /nfs/dbraw/zinc/28/25/46/590282546.db2.gz GGPLFJLMEVDDCB-SECBINFHSA-N 1 0 200.282 0.385 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cc[nH]n1 ZINC000877119554 590289103 /nfs/dbraw/zinc/28/91/03/590289103.db2.gz HONXCZRWSORRHL-ZCFIWIBFSA-N 1 0 214.656 0.818 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000877145119 590291760 /nfs/dbraw/zinc/29/17/60/590291760.db2.gz DEKHDBWIGOHUMV-NSHDSACASA-N 1 0 233.315 0.750 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@]1(F)CC[NH2+]C1 ZINC000877145554 590292187 /nfs/dbraw/zinc/29/21/87/590292187.db2.gz KTTYGQMPHIPWOY-PSASIEDQSA-N 1 0 213.256 0.449 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)C[NH2+]CC)C(=O)OC ZINC000877195518 590299482 /nfs/dbraw/zinc/29/94/82/590299482.db2.gz LNPNRLDTSCWOKR-SECBINFHSA-N 1 0 228.292 0.220 20 30 BCEDRO C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000877197490 590299907 /nfs/dbraw/zinc/29/99/07/590299907.db2.gz SDPNMCSXCQOUBX-BBBLOLIVSA-N 1 0 209.293 0.874 20 30 BCEDRO CN(C(=O)[C@]1(F)CC[NH2+]C1)[C@@H]1CCC[C@H]1C#N ZINC000877196782 590300010 /nfs/dbraw/zinc/30/00/10/590300010.db2.gz KBLOHIOJZMYKBF-UMNHJUIQSA-N 1 0 239.294 0.839 20 30 BCEDRO C[C@@H]([NH3+])CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000877197493 590300191 /nfs/dbraw/zinc/30/01/91/590300191.db2.gz SDPNMCSXCQOUBX-UTLUCORTSA-N 1 0 209.293 0.874 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000877280690 590306228 /nfs/dbraw/zinc/30/62/28/590306228.db2.gz ITZHESJDKUEPDU-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCCCCCC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000877329052 590318242 /nfs/dbraw/zinc/31/82/42/590318242.db2.gz PRNOTCSCDXLREF-QWHCGFSZSA-N 1 0 225.332 0.998 20 30 BCEDRO COC[C@@H](O)C[NH2+]C1CCC(C#N)CC1 ZINC000877505102 590343177 /nfs/dbraw/zinc/34/31/77/590343177.db2.gz PRURMEJLKUWKIG-ILDUYXDCSA-N 1 0 212.293 0.666 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)Cn1cncn1)C(C)C ZINC000877513338 590343582 /nfs/dbraw/zinc/34/35/82/590343582.db2.gz ROVFHZOSNJHIPC-QWRGUYRKSA-N 1 0 206.293 0.914 20 30 BCEDRO C#CCCCCCC[NH+](CCO)CCO ZINC000877649530 590384247 /nfs/dbraw/zinc/38/42/47/590384247.db2.gz ZVUXTJAZGIYUHS-UHFFFAOYSA-N 1 0 213.321 0.857 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)Cn1cncn1 ZINC000877659968 590387059 /nfs/dbraw/zinc/38/70/59/590387059.db2.gz BZMHBVVDNFRCKK-VXGBXAGGSA-N 1 0 236.319 0.685 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000877661817 590387755 /nfs/dbraw/zinc/38/77/55/590387755.db2.gz IBAFRCGHVVLNLS-XQQFMLRXSA-N 1 0 241.331 0.666 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000877748588 590412626 /nfs/dbraw/zinc/41/26/26/590412626.db2.gz FZVYRBSFHKTFAY-OLZOCXBDSA-N 1 0 232.283 0.486 20 30 BCEDRO C#CCCCCCC[N@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877750275 590414761 /nfs/dbraw/zinc/41/47/61/590414761.db2.gz MNQMMFSQFUUTFH-OLZOCXBDSA-N 1 0 225.332 0.998 20 30 BCEDRO C=CC[C@@H](C)[N@H+](C)CC(=O)N1CCOCC1 ZINC000877940169 590452967 /nfs/dbraw/zinc/45/29/67/590452967.db2.gz KUYJWNMMNOKDNR-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CCS(C)(=O)=O ZINC000126803203 590457779 /nfs/dbraw/zinc/45/77/79/590457779.db2.gz OHGZSNAWXVISCQ-SECBINFHSA-N 1 0 205.323 0.975 20 30 BCEDRO C=CC[N@@H+](CCc1nnnn1C)C(C)C ZINC000877977534 590464253 /nfs/dbraw/zinc/46/42/53/590464253.db2.gz ZSNVKPUWTSBFBI-UHFFFAOYSA-N 1 0 209.297 0.649 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@H](CO)C1 ZINC000878123546 590500355 /nfs/dbraw/zinc/50/03/55/590500355.db2.gz BGDGQJGDQQBHML-UWVGGRQHSA-N 1 0 213.277 0.418 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CO)C1 ZINC000878123548 590500498 /nfs/dbraw/zinc/50/04/98/590500498.db2.gz BGDGQJGDQQBHML-ZJUUUORDSA-N 1 0 213.277 0.418 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@](C)(O)C1 ZINC000878165725 590512372 /nfs/dbraw/zinc/51/23/72/590512372.db2.gz CVFDVQULDZCARV-MWLCHTKSSA-N 1 0 213.277 0.561 20 30 BCEDRO C=CC[C@H](C)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000878179413 590517322 /nfs/dbraw/zinc/51/73/22/590517322.db2.gz NMEBNOKHMPLBKZ-QWHCGFSZSA-N 1 0 242.363 0.576 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000878250484 590529595 /nfs/dbraw/zinc/52/95/95/590529595.db2.gz ZZKSQSCYXXZHNE-WDEREUQCSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000878328260 590546974 /nfs/dbraw/zinc/54/69/74/590546974.db2.gz FZXCTFFXQHDNSX-ZYHUDNBSSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@@H](C)[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000878397571 590559643 /nfs/dbraw/zinc/55/96/43/590559643.db2.gz WRURSYGWNXJNMS-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CCCCCC[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000878396341 590559775 /nfs/dbraw/zinc/55/97/75/590559775.db2.gz KXUZJQMHDQSLQJ-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C=CC[C@H](C)[N@H+]1CCO[C@H](C(=O)NC)C1 ZINC000878397572 590559970 /nfs/dbraw/zinc/55/99/70/590559970.db2.gz WRURSYGWNXJNMS-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)CC(C)(C)O)C1CC1 ZINC000878433982 590567618 /nfs/dbraw/zinc/56/76/18/590567618.db2.gz FKOQRFMYOKTNAN-NSHDSACASA-N 1 0 211.305 0.606 20 30 BCEDRO C#C[C@H]([NH2+]CCN(C#N)CC)[C@@H]1CCCO1 ZINC000878454185 590571051 /nfs/dbraw/zinc/57/10/51/590571051.db2.gz VBVPNBSQMRJKKZ-RYUDHWBXSA-N 1 0 221.304 0.560 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@](O)(CC)C1 ZINC000878465969 590572555 /nfs/dbraw/zinc/57/25/55/590572555.db2.gz IZAPJNVYVILVJW-JQWIXIFHSA-N 1 0 227.304 0.951 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)CC1(O)CCCC1 ZINC000878501210 590580318 /nfs/dbraw/zinc/58/03/18/590580318.db2.gz OCZDIXMRABGBCY-NSHDSACASA-N 1 0 211.305 0.608 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@H](O)CC1(O)CCCC1 ZINC000878517748 590585229 /nfs/dbraw/zinc/58/52/29/590585229.db2.gz WJMGXKXCJNGDDM-VXGBXAGGSA-N 1 0 225.332 0.996 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000878518028 590585463 /nfs/dbraw/zinc/58/54/63/590585463.db2.gz YYYJXSAXBRHNQD-CYZMBNFOSA-N 1 0 225.332 0.852 20 30 BCEDRO C=C[C@@H]1CCCC[N@H+]1CCc1nnnn1C ZINC000878523364 590585981 /nfs/dbraw/zinc/58/59/81/590585981.db2.gz BPXLBCSZEQJESO-SNVBAGLBSA-N 1 0 221.308 0.793 20 30 BCEDRO C[C@@H](CNC(=[NH2+])NC1CC1)CN1CCOCC1 ZINC000127253098 590601570 /nfs/dbraw/zinc/60/15/70/590601570.db2.gz LABFTIIRTUKWDF-JTQLQIEISA-N 1 0 240.351 0.021 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000878677629 590607775 /nfs/dbraw/zinc/60/77/75/590607775.db2.gz KDMUPCCKJSNXCM-XHNCKOQMSA-N 1 0 208.261 0.155 20 30 BCEDRO C[C@@H]1C[N@@H+](C[C@@H](O)C2CC2)C[C@H](C)N1CC#N ZINC000878772344 590620895 /nfs/dbraw/zinc/62/08/95/590620895.db2.gz LFEITQSJFNRZKV-NTZNESFSSA-N 1 0 237.347 0.675 20 30 BCEDRO C#CCOCC[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878772339 590621152 /nfs/dbraw/zinc/62/11/52/590621152.db2.gz LDFIVGPJSNGHOG-BETUJISGSA-N 1 0 235.331 0.554 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000878820600 590627790 /nfs/dbraw/zinc/62/77/90/590627790.db2.gz NABQHCQWWBOLTO-ADEWGFFLSA-N 1 0 226.320 0.790 20 30 BCEDRO CCN1C[C@H](CN[C@H](C)CC#N)OC1=O ZINC000878821237 590627978 /nfs/dbraw/zinc/62/79/78/590627978.db2.gz URPZBSQPLNOFEN-BDAKNGLRSA-N 1 0 211.265 0.719 20 30 BCEDRO C#CCCC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000878823965 590628447 /nfs/dbraw/zinc/62/84/47/590628447.db2.gz NEUTVMZICGPVQY-UHFFFAOYSA-N 1 0 219.292 0.340 20 30 BCEDRO C#CCCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000878865542 590634752 /nfs/dbraw/zinc/63/47/52/590634752.db2.gz JSMGVZNWCIBJTF-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@H]1c1cn[nH]c1 ZINC000878875974 590637497 /nfs/dbraw/zinc/63/74/97/590637497.db2.gz HVVJQBHRDOOMCS-LBPRGKRZSA-N 1 0 246.314 0.686 20 30 BCEDRO C=C(Cl)C[NH+]1[C@H](CO)CC[C@H]1CO ZINC000878881932 590637834 /nfs/dbraw/zinc/63/78/34/590637834.db2.gz UWZIFCRZWZHYTB-IUCAKERBSA-N 1 0 205.685 0.557 20 30 BCEDRO Cn1nnnc1CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000878886762 590639412 /nfs/dbraw/zinc/63/94/12/590639412.db2.gz ONRVVHFNFWTXDH-SNVBAGLBSA-N 1 0 234.307 0.378 20 30 BCEDRO C#CCN(C[C@@H](O)C[N@@H+](C)CC)C1CSC1 ZINC000878910211 590646678 /nfs/dbraw/zinc/64/66/78/590646678.db2.gz IUFKWWUWEQFRCQ-LBPRGKRZSA-N 1 0 242.388 0.350 20 30 BCEDRO C#CC[N@@H+](CCCC(=O)NC)C1CSC1 ZINC000878910507 590647190 /nfs/dbraw/zinc/64/71/90/590647190.db2.gz NYJPVMWKGQOZBM-UHFFFAOYSA-N 1 0 226.345 0.563 20 30 BCEDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000878980802 590667898 /nfs/dbraw/zinc/66/78/98/590667898.db2.gz FMXJMPWHQUKSSW-SKDRFNHKSA-N 1 0 236.271 0.469 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000878985474 590668558 /nfs/dbraw/zinc/66/85/58/590668558.db2.gz FQMQUXXBTYLSTN-NEPJUHHUSA-N 1 0 236.319 0.944 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000878994933 590672775 /nfs/dbraw/zinc/67/27/75/590672775.db2.gz FUMMSYVJNRHJMQ-NEPJUHHUSA-N 1 0 243.347 0.569 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000879062344 590689917 /nfs/dbraw/zinc/68/99/17/590689917.db2.gz SZOXRIPZHCXASU-VHSXEESVSA-N 1 0 212.293 0.527 20 30 BCEDRO C#CCN1CCCC[C@]1(COC)C(=O)OC ZINC000879028986 590681322 /nfs/dbraw/zinc/68/13/22/590681322.db2.gz OTKHGSGYAPPHEI-LBPRGKRZSA-N 1 0 225.288 0.664 20 30 BCEDRO COCC#CC[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879041279 590684252 /nfs/dbraw/zinc/68/42/52/590684252.db2.gz DBRAMDCKDBSNGX-LLVKDONJSA-N 1 0 242.294 0.172 20 30 BCEDRO CC#CC[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879041572 590684439 /nfs/dbraw/zinc/68/44/39/590684439.db2.gz HPXVDMRJJNZTMD-JTQLQIEISA-N 1 0 212.268 0.545 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)Cc1c[nH]nc1C ZINC000879188856 590709988 /nfs/dbraw/zinc/70/99/88/590709988.db2.gz QYZCJPLPMGHKNT-UHFFFAOYSA-N 1 0 234.303 0.289 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1C[C@@H](OC)CC[C@@H]1C ZINC000879317802 590737414 /nfs/dbraw/zinc/73/74/14/590737414.db2.gz HVWJEINJNWFRJS-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO CO[C@H]1CC[C@@H](C)[N@H+](CC(=O)NCCC#N)C1 ZINC000879319315 590739964 /nfs/dbraw/zinc/73/99/64/590739964.db2.gz VJLAYENMDRVWCB-MNOVXSKESA-N 1 0 239.319 0.516 20 30 BCEDRO CO[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCCC#N)C1 ZINC000879319314 590740780 /nfs/dbraw/zinc/74/07/80/590740780.db2.gz VJLAYENMDRVWCB-GHMZBOCLSA-N 1 0 239.319 0.516 20 30 BCEDRO C=CCC[N@H+]1CC[C@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482457 590779971 /nfs/dbraw/zinc/77/99/71/590779971.db2.gz SLUYGYJVESHTPK-LBPRGKRZSA-N 1 0 238.287 0.956 20 30 BCEDRO C=CCCCC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535026 590794446 /nfs/dbraw/zinc/79/44/46/590794446.db2.gz CXPCTVGXQVJHRW-PHIMTYICSA-N 1 0 236.315 0.889 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879572374 590809184 /nfs/dbraw/zinc/80/91/84/590809184.db2.gz PODYNTMEKSJGIY-NEPJUHHUSA-N 1 0 237.347 0.315 20 30 BCEDRO COCC#CCN1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579284 590816738 /nfs/dbraw/zinc/81/67/38/590816738.db2.gz ZAQHLTQAQZOHEL-QWHCGFSZSA-N 1 0 222.332 0.662 20 30 BCEDRO N#CCc1ccc(C[N@H+]2CC[C@@H](O)[C@@H](O)C2)cc1 ZINC000879609045 590828712 /nfs/dbraw/zinc/82/87/12/590828712.db2.gz KXENAOTWCAQHQZ-KGLIPLIRSA-N 1 0 246.310 0.680 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879616699 590832029 /nfs/dbraw/zinc/83/20/29/590832029.db2.gz ISWOAMHIDZEAHE-GHMZBOCLSA-N 1 0 238.331 0.217 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879720811 590854935 /nfs/dbraw/zinc/85/49/35/590854935.db2.gz HQLVUVNRSDXAHK-NEPJUHHUSA-N 1 0 236.315 0.379 20 30 BCEDRO CONC(=O)C1CC[NH+](CCCC#N)CC1 ZINC000879922930 590888950 /nfs/dbraw/zinc/88/89/50/590888950.db2.gz QSRSMIBBZNGCJT-UHFFFAOYSA-N 1 0 225.292 0.680 20 30 BCEDRO C=CCOCC[NH+]1CCC(C(=O)NOC)CC1 ZINC000879926441 590890341 /nfs/dbraw/zinc/89/03/41/590890341.db2.gz RWLLBCHFAJCZSY-UHFFFAOYSA-N 1 0 242.319 0.579 20 30 BCEDRO C=CCCCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879997320 590905612 /nfs/dbraw/zinc/90/56/12/590905612.db2.gz HAGIEAHMXIFATB-GFCCVEGCSA-N 1 0 240.347 0.916 20 30 BCEDRO N#CCC1(CN2C[C@@H]3CCC[N@H+]3C[C@@H]2CO)CC1 ZINC000880072710 590918211 /nfs/dbraw/zinc/91/82/11/590918211.db2.gz IIPQLWTVEAKHQT-QWHCGFSZSA-N 1 0 249.358 0.821 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CF)C1 ZINC000880290735 590985828 /nfs/dbraw/zinc/98/58/28/590985828.db2.gz CACLYLKYVFETMQ-UWVGGRQHSA-N 1 0 212.268 0.416 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880424223 591030513 /nfs/dbraw/zinc/03/05/13/591030513.db2.gz GNCNFJFJPZRMQC-MNOVXSKESA-N 1 0 242.319 0.024 20 30 BCEDRO COCC#CC[N@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880432671 591033922 /nfs/dbraw/zinc/03/39/22/591033922.db2.gz GUEYDUIWYUSDMY-NEPJUHHUSA-N 1 0 227.304 0.372 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880437616 591039733 /nfs/dbraw/zinc/03/97/33/591039733.db2.gz OHUVZGROYGBUOP-NWDGAFQWSA-N 1 0 229.320 0.925 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@@H]1CCOC[C@@H]1OC ZINC000880437615 591040343 /nfs/dbraw/zinc/04/03/43/591040343.db2.gz OHUVZGROYGBUOP-NEPJUHHUSA-N 1 0 229.320 0.925 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CC)[C@@H]1CCCOC1 ZINC000880463483 591052290 /nfs/dbraw/zinc/05/22/90/591052290.db2.gz SYDVRCFTEYYZTK-NEPJUHHUSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCC1(O)CC[NH+]([C@H](C)C(=O)N(C)C)CC1 ZINC000880476843 591054181 /nfs/dbraw/zinc/05/41/81/591054181.db2.gz HSAJZRSHRLBKPM-LLVKDONJSA-N 1 0 238.331 0.313 20 30 BCEDRO C#CCC1(O)CC[NH+](Cc2ccnn2C)CC1 ZINC000880481668 591056008 /nfs/dbraw/zinc/05/60/08/591056008.db2.gz XQKPMXQEBGUZKM-UHFFFAOYSA-N 1 0 233.315 0.770 20 30 BCEDRO C#CCC1(O)CC[NH+](CCc2cn(C)nn2)CC1 ZINC000880482668 591056239 /nfs/dbraw/zinc/05/62/39/591056239.db2.gz NZYQKYWMSSAWBF-UHFFFAOYSA-N 1 0 248.330 0.208 20 30 BCEDRO N#CCSCCC[N@H+]1CC=C[C@@H]1CO ZINC000880486210 591060442 /nfs/dbraw/zinc/06/04/42/591060442.db2.gz MCDIJVNJLMWISP-SNVBAGLBSA-N 1 0 212.318 0.866 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880509771 591082256 /nfs/dbraw/zinc/08/22/56/591082256.db2.gz XTFZJYHYQBGVHX-PWSUYJOCSA-N 1 0 237.303 0.317 20 30 BCEDRO C#CCCCCC[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880567314 591090730 /nfs/dbraw/zinc/09/07/30/591090730.db2.gz GFTMCWNHTGBNFC-ZDUSSCGKSA-N 1 0 239.315 0.790 20 30 BCEDRO C=CCCCC[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880565103 591093960 /nfs/dbraw/zinc/09/39/60/591093960.db2.gz ICVPRTZBGHVUJS-GFCCVEGCSA-N 1 0 227.304 0.953 20 30 BCEDRO COC(=O)[C@]1(O)CC[N@@H+]([C@H]2CC[C@H](C#N)C2)C1 ZINC000880565602 591097025 /nfs/dbraw/zinc/09/70/25/591097025.db2.gz MXUSLSCLTPNIEO-NHCYSSNCSA-N 1 0 238.287 0.288 20 30 BCEDRO C=CCNC(=O)[C@H](C)n1cc([C@@H](C)[NH3+])nn1 ZINC000881109649 591164524 /nfs/dbraw/zinc/16/45/24/591164524.db2.gz UMKBCFMUECDIJC-SFYZADRCSA-N 1 0 223.280 0.161 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc([C@H](C)[NH3+])nn1 ZINC000881320373 591189715 /nfs/dbraw/zinc/18/97/15/591189715.db2.gz JDCLFZNQLNYKOL-XPUUQOCRSA-N 1 0 210.237 0.198 20 30 BCEDRO C[C@H](C#N)OCCn1cc(CCCC[NH3+])nn1 ZINC000881324508 591191114 /nfs/dbraw/zinc/19/11/14/591191114.db2.gz WDTROJXWZQPGKT-SNVBAGLBSA-N 1 0 237.307 0.488 20 30 BCEDRO C[C@H](C#N)OCCn1cc(C[C@@H]2CC[NH2+]C2)nn1 ZINC000881323723 591191335 /nfs/dbraw/zinc/19/13/35/591191335.db2.gz OMPDPLYPVRJMKX-MNOVXSKESA-N 1 0 249.318 0.359 20 30 BCEDRO C=C[C@](C)(O)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000881429105 591205105 /nfs/dbraw/zinc/20/51/05/591205105.db2.gz QQDGGHRBWQSBBQ-LBPRGKRZSA-N 1 0 236.319 0.671 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)C[NH+](C)C)C(=O)OCC ZINC000881752633 591269527 /nfs/dbraw/zinc/26/95/27/591269527.db2.gz VTNAEFNKCOFOMB-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cc(CO)ccn1 ZINC000882402675 591343103 /nfs/dbraw/zinc/34/31/03/591343103.db2.gz QRKFSGUYNOQLGZ-UHFFFAOYSA-N 1 0 233.315 0.941 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]1CC[N@H+]1CC ZINC000882484936 591362053 /nfs/dbraw/zinc/36/20/53/591362053.db2.gz ODHRIVNSSWZPQY-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)ccn1 ZINC000882491659 591368079 /nfs/dbraw/zinc/36/80/79/591368079.db2.gz IMFFDCXLKHIZRQ-LLVKDONJSA-N 1 0 244.298 0.777 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@@H]2CC[N@H+]2CC)nn1 ZINC000882496255 591378431 /nfs/dbraw/zinc/37/84/31/591378431.db2.gz ZXXQSRQRKDCSAJ-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000882902426 591471860 /nfs/dbraw/zinc/47/18/60/591471860.db2.gz GVIDEAQUPHCZRP-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H](C)SC ZINC000130705965 591503627 /nfs/dbraw/zinc/50/36/27/591503627.db2.gz DOJXEMGFUCYBQU-JGVFFNPUSA-N 1 0 219.354 0.677 20 30 BCEDRO C=CC[C@@H](CO)NCc1cnn(CC)n1 ZINC000883109910 591541804 /nfs/dbraw/zinc/54/18/04/591541804.db2.gz ISVVUVUPLOSJLM-VIFPVBQESA-N 1 0 210.281 0.325 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000883125602 591544491 /nfs/dbraw/zinc/54/44/91/591544491.db2.gz OEXMUTZKTQEFEV-NWDGAFQWSA-N 1 0 224.348 0.833 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc(Cl)n1C ZINC000883125567 591544772 /nfs/dbraw/zinc/54/47/72/591544772.db2.gz MUPLIVXHEJPMQF-QMMMGPOBSA-N 1 0 227.695 0.547 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883125843 591544858 /nfs/dbraw/zinc/54/48/58/591544858.db2.gz WQKPXXQXQYJDAN-SNVBAGLBSA-N 1 0 247.250 0.860 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccncc1N ZINC000883125692 591545023 /nfs/dbraw/zinc/54/50/23/591545023.db2.gz REWHRGPBNWLWLJ-SNVBAGLBSA-N 1 0 205.261 0.138 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1ccc(C)nn1 ZINC000883131189 591546305 /nfs/dbraw/zinc/54/63/05/591546305.db2.gz NADLTNODIVNVMN-UHFFFAOYSA-N 1 0 232.331 0.830 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1nn(CC)nc1C ZINC000883131203 591546616 /nfs/dbraw/zinc/54/66/16/591546616.db2.gz OEVFLKHVXLUNBP-UHFFFAOYSA-N 1 0 249.362 0.651 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccc(C)nn1 ZINC000883156748 591556111 /nfs/dbraw/zinc/55/61/11/591556111.db2.gz XVIADKHNLKMPFC-LBPRGKRZSA-N 1 0 219.288 0.649 20 30 BCEDRO C=CCC[C@H](C)[NH2+]Cc1nnc2n1CCNC2=O ZINC000883304087 591610806 /nfs/dbraw/zinc/61/08/06/591610806.db2.gz NEIAIZBNBWDIIG-VIFPVBQESA-N 1 0 249.318 0.466 20 30 BCEDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000883375132 591637199 /nfs/dbraw/zinc/63/71/99/591637199.db2.gz DDHFMTUPBRPBMF-LMLFDSFASA-N 1 0 242.344 0.844 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000883389948 591641180 /nfs/dbraw/zinc/64/11/80/591641180.db2.gz CAEWRHXSPZANTG-MNOVXSKESA-N 1 0 247.360 0.480 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000883391728 591644122 /nfs/dbraw/zinc/64/41/22/591644122.db2.gz QVJLZWFTRZBCEE-CHWSQXEVSA-N 1 0 242.363 0.624 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cn(C)cn1 ZINC000883400496 591647471 /nfs/dbraw/zinc/64/74/71/591647471.db2.gz ODNMASZBRYOFDG-SNVBAGLBSA-N 1 0 209.293 0.837 20 30 BCEDRO C=CCOCCNC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883560633 591691688 /nfs/dbraw/zinc/69/16/88/591691688.db2.gz JHSWGLKZDSKXSX-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C#CCOCCNC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883566291 591693247 /nfs/dbraw/zinc/69/32/47/591693247.db2.gz RREGUMMLISXXLY-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[N@H+](C)C(C)(C)C1 ZINC000883581257 591695942 /nfs/dbraw/zinc/69/59/42/591695942.db2.gz TUDPBBOVHRHHAQ-JTQLQIEISA-N 1 0 223.320 0.744 20 30 BCEDRO CC#CCCNC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883625946 591705799 /nfs/dbraw/zinc/70/57/99/591705799.db2.gz MSTVYBZZKSGDIF-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C=CCONC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883733103 591729343 /nfs/dbraw/zinc/72/93/43/591729343.db2.gz JWLMOIWVLAFRDM-SECBINFHSA-N 1 0 213.281 0.497 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)NC[C@H](C)[NH+](C)C ZINC000883729200 591729363 /nfs/dbraw/zinc/72/93/63/591729363.db2.gz LPJVWUIUWRYJPZ-QWRGUYRKSA-N 1 0 243.351 0.563 20 30 BCEDRO C=C(C)CONC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883764239 591736733 /nfs/dbraw/zinc/73/67/33/591736733.db2.gz UVMRODRJDUJNKH-SNVBAGLBSA-N 1 0 227.308 0.888 20 30 BCEDRO C=C(C)CONC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883764238 591736923 /nfs/dbraw/zinc/73/69/23/591736923.db2.gz UVMRODRJDUJNKH-JTQLQIEISA-N 1 0 227.308 0.888 20 30 BCEDRO C=CCN(C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000883897026 591764876 /nfs/dbraw/zinc/76/48/76/591764876.db2.gz ZIXYZBNDSZJJHY-SNVBAGLBSA-N 1 0 211.309 0.908 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883896328 591765259 /nfs/dbraw/zinc/76/52/59/591765259.db2.gz NMFDPUAAXNNCKF-MNOVXSKESA-N 1 0 241.335 0.317 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[C@H]1OC ZINC000889334110 591773733 /nfs/dbraw/zinc/77/37/33/591773733.db2.gz KKKSBBYUBVIUOW-GHMZBOCLSA-N 1 0 226.320 0.740 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)[nH]1 ZINC000884008161 591794400 /nfs/dbraw/zinc/79/44/00/591794400.db2.gz DYGBOUNUJAFFMB-SSDOTTSWSA-N 1 0 204.233 0.060 20 30 BCEDRO C[NH2+]CCCNC(=O)c1ccc(C#N)[nH]1 ZINC000884013897 591799580 /nfs/dbraw/zinc/79/95/80/591799580.db2.gz VTGUCPFOHCSOIE-UHFFFAOYSA-N 1 0 206.249 0.226 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)NOCC)C1 ZINC000884018059 591800593 /nfs/dbraw/zinc/80/05/93/591800593.db2.gz MGGKXVHUANGKJC-SNVBAGLBSA-N 1 0 225.292 0.335 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)NOCC)C1 ZINC000884018058 591800658 /nfs/dbraw/zinc/80/06/58/591800658.db2.gz MGGKXVHUANGKJC-JTQLQIEISA-N 1 0 225.292 0.335 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@@H]2CCCC[NH2+]2)[nH]1 ZINC000884018078 591800761 /nfs/dbraw/zinc/80/07/61/591800761.db2.gz MRQQLVMKTNQPQJ-JTQLQIEISA-N 1 0 232.287 0.758 20 30 BCEDRO C[NH2+][C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000884022010 591802918 /nfs/dbraw/zinc/80/29/18/591802918.db2.gz UTSCQOUULVQMKC-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO N#Cc1ccc(C(=O)NCC[NH2+]C2CC2)[nH]1 ZINC000884024439 591804743 /nfs/dbraw/zinc/80/47/43/591804743.db2.gz RRPGQDBDVPTYSD-UHFFFAOYSA-N 1 0 218.260 0.368 20 30 BCEDRO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H](C)[NH2+]1 ZINC000884030307 591814162 /nfs/dbraw/zinc/81/41/62/591814162.db2.gz LVVYQNBFEMLKQO-IUCAKERBSA-N 1 0 232.287 0.709 20 30 BCEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NCC1CC1)C2 ZINC000884065860 591842971 /nfs/dbraw/zinc/84/29/71/591842971.db2.gz CAKNINMNEKDGRA-QWKFWESOSA-N 1 0 233.315 0.652 20 30 BCEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NC1CCC1)C2 ZINC000884085353 591846380 /nfs/dbraw/zinc/84/63/80/591846380.db2.gz RXMCPYHXZODFMZ-QUNCOHTASA-N 1 0 233.315 0.794 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CCCN(CC#C)C1 ZINC000884147602 591863815 /nfs/dbraw/zinc/86/38/15/591863815.db2.gz NMOXKKRELGMPAN-GFCCVEGCSA-N 1 0 233.315 0.407 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@H]([NH3+])C2CC2)[nH]1 ZINC000884242489 591879474 /nfs/dbraw/zinc/87/94/74/591879474.db2.gz YKGGUZAMNFNDGO-VIFPVBQESA-N 1 0 218.260 0.353 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)nc1 ZINC000884249973 591884013 /nfs/dbraw/zinc/88/40/13/591884013.db2.gz VEWSSCMCVQDUEI-ONGXEEELSA-N 1 0 230.271 0.231 20 30 BCEDRO Cc1cnc(F)cc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000884249840 591884080 /nfs/dbraw/zinc/88/40/80/591884080.db2.gz SAPZQZJEXUEPHY-WCBMZHEXSA-N 1 0 248.261 0.371 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000884250273 591884127 /nfs/dbraw/zinc/88/41/27/591884127.db2.gz ATRCBUFGEDUDLH-BJDJZHNGSA-N 1 0 233.315 0.650 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1c[nH]cc1C1CC1 ZINC000884250725 591884253 /nfs/dbraw/zinc/88/42/53/591884253.db2.gz MGDKOJLGSPNWBN-JOYOIKCWSA-N 1 0 244.298 0.733 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884254538 591885567 /nfs/dbraw/zinc/88/55/67/591885567.db2.gz NMSQYUGQXIVTIO-KWQFWETISA-N 1 0 232.287 0.614 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H]2CCC[C@H]([NH3+])C2)[nH]1 ZINC000884267374 591887949 /nfs/dbraw/zinc/88/79/49/591887949.db2.gz DRCNLEPEMAKCSO-IUCAKERBSA-N 1 0 232.287 0.886 20 30 BCEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884273331 591889397 /nfs/dbraw/zinc/88/93/97/591889397.db2.gz NIPXFFLNHIGDEU-WPRPVWTQSA-N 1 0 232.287 0.757 20 30 BCEDRO C#CCOCCC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000134128883 591891890 /nfs/dbraw/zinc/89/18/90/591891890.db2.gz WRMIBZJYQXUZAJ-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@](C)(CC)CC(=O)OC ZINC000134158941 591893959 /nfs/dbraw/zinc/89/39/59/591893959.db2.gz OFQDXAJOHXSKOK-GFCCVEGCSA-N 1 0 242.319 0.610 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)N[C@H](C#C)CC)C1 ZINC000884293959 591896072 /nfs/dbraw/zinc/89/60/72/591896072.db2.gz PGHUURRVMCAYLT-CHWSQXEVSA-N 1 0 247.342 0.795 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H](CC[NH3+])C(F)F)[nH]1 ZINC000884296724 591896986 /nfs/dbraw/zinc/89/69/86/591896986.db2.gz DJAZQWHNOCUHHJ-SSDOTTSWSA-N 1 0 242.229 0.599 20 30 BCEDRO CC[C@@H]([NH3+])CNC(=O)c1ccc(C#N)[nH]1 ZINC000884296758 591897225 /nfs/dbraw/zinc/89/72/25/591897225.db2.gz FAGSUCRHTVHTTB-SSDOTTSWSA-N 1 0 206.249 0.353 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)[nH]1 ZINC000884304328 591899411 /nfs/dbraw/zinc/89/94/11/591899411.db2.gz MLMJJQFMWMHBPH-KCJUWKMLSA-N 1 0 230.271 0.320 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000884303252 591899767 /nfs/dbraw/zinc/89/97/67/591899767.db2.gz KGJPHZIXQQVYEI-DTWKUNHWSA-N 1 0 232.287 0.744 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000884353231 591910687 /nfs/dbraw/zinc/91/06/87/591910687.db2.gz WOOWOHOJENAPMD-VHSXEESVSA-N 1 0 226.320 0.821 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884352952 591910976 /nfs/dbraw/zinc/91/09/76/591910976.db2.gz RSLWBDVZNZUEGF-RKDXNWHRSA-N 1 0 212.293 0.431 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884389937 591923143 /nfs/dbraw/zinc/92/31/43/591923143.db2.gz JRTGEXIOJJYNPD-DTWKUNHWSA-N 1 0 232.287 0.838 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884389939 591923266 /nfs/dbraw/zinc/92/32/66/591923266.db2.gz JRTGEXIOJJYNPD-RKDXNWHRSA-N 1 0 232.287 0.838 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884389936 591923271 /nfs/dbraw/zinc/92/32/71/591923271.db2.gz JRTGEXIOJJYNPD-BDAKNGLRSA-N 1 0 232.287 0.838 20 30 BCEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@@H]1C=CCC1)C2 ZINC000884401736 591925894 /nfs/dbraw/zinc/92/58/94/591925894.db2.gz ZPQDFNVQIXWLDP-MRFPXMQZSA-N 1 0 245.326 0.961 20 30 BCEDRO C#CCNC(=S)NC[C@H]1CCC[N@H+]1CC ZINC000884405199 591925970 /nfs/dbraw/zinc/92/59/70/591925970.db2.gz KCAXIVZSUJWXEX-SNVBAGLBSA-N 1 0 225.361 0.568 20 30 BCEDRO C/C=C/CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884439335 591934036 /nfs/dbraw/zinc/93/40/36/591934036.db2.gz BSEXYSNGYWAVDP-VXJINFAJSA-N 1 0 233.315 0.818 20 30 BCEDRO C=CCC1(O)CC[NH+](Cn2cnnc2)CC1 ZINC000884479054 591951270 /nfs/dbraw/zinc/95/12/70/591951270.db2.gz UOMODQMIKMKWEK-UHFFFAOYSA-N 1 0 222.292 0.639 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H](C)C1 ZINC000135085053 591986482 /nfs/dbraw/zinc/98/64/82/591986482.db2.gz MAZJUKZAFNBYCW-MNOVXSKESA-N 1 0 208.305 0.714 20 30 BCEDRO C[N@H+](CCO)CCNc1cc(C#N)ccn1 ZINC000884824079 592022990 /nfs/dbraw/zinc/02/29/90/592022990.db2.gz QFNVSMFIRZMFCG-UHFFFAOYSA-N 1 0 220.276 0.289 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC(=O)CC[C@H]1C ZINC000885083863 592049207 /nfs/dbraw/zinc/04/92/07/592049207.db2.gz XNEQDYXEQUUNGW-SNVBAGLBSA-N 1 0 224.304 0.684 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCOCCOCC ZINC000885756350 592098765 /nfs/dbraw/zinc/09/87/65/592098765.db2.gz AQHPAAHNFWRKBT-UHFFFAOYSA-N 1 0 244.335 0.274 20 30 BCEDRO CC#CC(=O)NC[C@H]1CC[N@@H+]1C1CCOCC1 ZINC000885882965 592105993 /nfs/dbraw/zinc/10/59/93/592105993.db2.gz MOJMKMQPGQSGJH-GFCCVEGCSA-N 1 0 236.315 0.379 20 30 BCEDRO N#CC1(C[C@H](O)C[N@H+]2CCC[C@@H]2CO)CCC1 ZINC000885967011 592117742 /nfs/dbraw/zinc/11/77/42/592117742.db2.gz GHEVSZZPMHWABF-NEPJUHHUSA-N 1 0 238.331 0.888 20 30 BCEDRO N#CCCN1CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000886090490 592146790 /nfs/dbraw/zinc/14/67/90/592146790.db2.gz ZQLQRRJLJAMYCB-ZIAGYGMSSA-N 1 0 249.358 0.944 20 30 BCEDRO N#CCCN1CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000886090489 592146929 /nfs/dbraw/zinc/14/69/29/592146929.db2.gz ZQLQRRJLJAMYCB-UONOGXRCSA-N 1 0 249.358 0.944 20 30 BCEDRO CC[N@@H+](CC(N)=O)C[C@H](O)CC1(C#N)CCC1 ZINC000886166416 592167994 /nfs/dbraw/zinc/16/79/94/592167994.db2.gz HWGRPMWQLRRUQW-SNVBAGLBSA-N 1 0 239.319 0.238 20 30 BCEDRO C[N@H+](CCCO)C[C@H](O)CC1(C#N)CCC1 ZINC000886188169 592172501 /nfs/dbraw/zinc/17/25/01/592172501.db2.gz MIVYNRJKZVCQDC-LLVKDONJSA-N 1 0 226.320 0.745 20 30 BCEDRO C[N@H+](C[C@H](O)CC1(C#N)CCC1)C1(CO)CC1 ZINC000886202784 592174928 /nfs/dbraw/zinc/17/49/28/592174928.db2.gz DVGIHIXAAMUSEZ-LLVKDONJSA-N 1 0 238.331 0.888 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccc(=O)[nH]c2)C1 ZINC000886209341 592176842 /nfs/dbraw/zinc/17/68/42/592176842.db2.gz KMFWXASCVAHDRM-ZDUSSCGKSA-N 1 0 245.326 0.974 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000886209679 592176888 /nfs/dbraw/zinc/17/68/88/592176888.db2.gz SBVSBHVOQOBPDW-GFCCVEGCSA-N 1 0 247.346 0.485 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCO[C@H]2C)C1 ZINC000886211054 592176915 /nfs/dbraw/zinc/17/69/15/592176915.db2.gz IMUZFVKKCNPRFV-RWMBFGLXSA-N 1 0 222.332 0.851 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cc(C)nn2C)C1 ZINC000886209830 592176944 /nfs/dbraw/zinc/17/69/44/592176944.db2.gz WDQQFEFOPXWWQZ-ZDUSSCGKSA-N 1 0 246.358 0.916 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cocn2)C1 ZINC000886211438 592177164 /nfs/dbraw/zinc/17/71/64/592177164.db2.gz PFRBFSZTSJOXBZ-NSHDSACASA-N 1 0 219.288 0.862 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CN(C)C[C@H]2C)C1 ZINC000886211160 592177620 /nfs/dbraw/zinc/17/76/20/592177620.db2.gz KFVUYLWVBSUDOF-RDBSUJKOSA-N 1 0 235.375 0.624 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@](C)(O)C(F)F ZINC000886232444 592182284 /nfs/dbraw/zinc/18/22/84/592182284.db2.gz WTTQNVIRWKWTDC-KHQFGBGNSA-N 1 0 221.247 0.936 20 30 BCEDRO C[C@](O)(C[N@@H+]1CC[C@@](O)(CC#N)C1)C(F)F ZINC000886265400 592189863 /nfs/dbraw/zinc/18/98/63/592189863.db2.gz HWIOLUQDBXBLDH-UWVGGRQHSA-N 1 0 234.246 0.353 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@H](C)S(C)(=O)=O)C1 ZINC000886365227 592215408 /nfs/dbraw/zinc/21/54/08/592215408.db2.gz CVPRRWHRYXYROT-QWRGUYRKSA-N 1 0 229.345 0.765 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CC[C@H]1C(=O)OC ZINC000886311226 592205025 /nfs/dbraw/zinc/20/50/25/592205025.db2.gz JTFGKCATNHXEAO-ZJUUUORDSA-N 1 0 240.303 0.172 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCNS(=O)(=O)CC)C1 ZINC000886358011 592214991 /nfs/dbraw/zinc/21/49/91/592214991.db2.gz ODZYCIBQAKFDHC-LLVKDONJSA-N 1 0 244.360 0.271 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000886353146 592215325 /nfs/dbraw/zinc/21/53/25/592215325.db2.gz CJOKIPJCPHDOTO-WDEREUQCSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000886355910 592216381 /nfs/dbraw/zinc/21/63/81/592216381.db2.gz PRNNYIDAGSIGBD-GFCCVEGCSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000886363993 592218098 /nfs/dbraw/zinc/21/80/98/592218098.db2.gz LSZHIPZGDRDEEI-NEPJUHHUSA-N 1 0 241.356 0.766 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@H]2CCS(=O)(=O)C2)C1 ZINC000886363995 592218541 /nfs/dbraw/zinc/21/85/41/592218541.db2.gz LSZHIPZGDRDEEI-RYUDHWBXSA-N 1 0 241.356 0.766 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@@H]2CCCN(C)C2=O)C1 ZINC000886364040 592218640 /nfs/dbraw/zinc/21/86/40/592218640.db2.gz MXKFJHYJBFHMEK-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@](C)(O)C(=O)OCC)C1 ZINC000886363988 592218706 /nfs/dbraw/zinc/21/87/06/592218706.db2.gz LPTNRBVTGVCVRB-AAEUAGOBSA-N 1 0 239.315 0.646 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)CC(=O)OCC)C1 ZINC000886365128 592219382 /nfs/dbraw/zinc/21/93/82/592219382.db2.gz ALNRNCYBUOAGAL-VXGBXAGGSA-N 1 0 239.315 0.646 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886556821 592260026 /nfs/dbraw/zinc/26/00/26/592260026.db2.gz KQKGWDBQEGCUGX-MXWKQRLJSA-N 1 0 240.372 0.972 20 30 BCEDRO C#CCN(C(=O)[C@H](O)C=C)C1CC[NH+](C)CC1 ZINC000886575709 592266880 /nfs/dbraw/zinc/26/68/80/592266880.db2.gz HEWPNBMUUYCZSG-GFCCVEGCSA-N 1 0 236.315 0.089 20 30 BCEDRO C#CCN(C(=O)C1=COCC1)C1CC[NH+](C)CC1 ZINC000886582346 592269309 /nfs/dbraw/zinc/26/93/09/592269309.db2.gz QPROXQHDHUGBMY-UHFFFAOYSA-N 1 0 248.326 0.847 20 30 BCEDRO C=CCC[NH+]1CCC(O)(COCCO)CC1 ZINC000886740644 592313044 /nfs/dbraw/zinc/31/30/44/592313044.db2.gz DJJTVOCLIRTWFL-UHFFFAOYSA-N 1 0 229.320 0.398 20 30 BCEDRO C=CC[NH+]1CCC(O)(COCCO)CC1 ZINC000886737383 592313615 /nfs/dbraw/zinc/31/36/15/592313615.db2.gz ZICIFQTZANXCAW-UHFFFAOYSA-N 1 0 215.293 0.008 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CCN1CCNC1=O ZINC000886744582 592315121 /nfs/dbraw/zinc/31/51/21/592315121.db2.gz BGIOIKZTFYUPHH-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C#CCC1([NH2+]C[C@@H]2CCC(=O)N2)CCOCC1 ZINC000887120330 592445019 /nfs/dbraw/zinc/44/50/19/592445019.db2.gz CLCGPXIQNRRHTG-NSHDSACASA-N 1 0 236.315 0.427 20 30 BCEDRO C#CCC1([NH2+]C[C@@H](O)CSC)CCOCC1 ZINC000887122099 592445444 /nfs/dbraw/zinc/44/54/44/592445444.db2.gz KWXZJMWGHOPTCW-LLVKDONJSA-N 1 0 243.372 0.872 20 30 BCEDRO C#CCC1([NH2+]CCC(=O)N(C)C)CCOCC1 ZINC000887122031 592446690 /nfs/dbraw/zinc/44/66/90/592446690.db2.gz HWPUYWLYLFPSLI-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO CNC(NC[C@@H](CO)Cc1ccoc1)=[NH+]C ZINC000887323853 592480582 /nfs/dbraw/zinc/48/05/82/592480582.db2.gz JRHPGJAGAPTVAK-JTQLQIEISA-N 1 0 225.292 0.225 20 30 BCEDRO C=CCCOCCNC(=[NH2+])NCC(F)F ZINC000887356463 592488283 /nfs/dbraw/zinc/48/82/83/592488283.db2.gz DFKXTAUFTYZMAN-UHFFFAOYSA-N 1 0 221.251 0.958 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])NCC1CC1 ZINC000887356484 592488637 /nfs/dbraw/zinc/48/86/37/592488637.db2.gz FDJXTLISZQEJEN-JTQLQIEISA-N 1 0 211.309 0.695 20 30 BCEDRO C=C(C)Cn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000887432825 592505092 /nfs/dbraw/zinc/50/50/92/592505092.db2.gz YDNLFWYSIVYBOQ-LLVKDONJSA-N 1 0 235.335 0.777 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887677514 592540401 /nfs/dbraw/zinc/54/04/01/592540401.db2.gz YPFRKYMDENFRKO-JQWIXIFHSA-N 1 0 237.303 0.222 20 30 BCEDRO CC[C@@H](C(=O)N1CCO[C@@](C)(C#N)C1)[NH+](C)C ZINC000887678689 592540610 /nfs/dbraw/zinc/54/06/10/592540610.db2.gz HRMKRAFNRXHMJF-JQWIXIFHSA-N 1 0 239.319 0.468 20 30 BCEDRO C[C@]1(C#N)CN(C(=O)C23CC[NH+](CC2)C3)CCO1 ZINC000887692052 592542951 /nfs/dbraw/zinc/54/29/51/592542951.db2.gz DHQGYFOZXVWRDC-LBPRGKRZSA-N 1 0 249.314 0.223 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889221761 592590539 /nfs/dbraw/zinc/59/05/39/592590539.db2.gz RBJSIIHVFKCVQQ-LBPRGKRZSA-N 1 0 238.331 0.620 20 30 BCEDRO CCCNC(=[NH2+])NCC(=O)NC1CCCCC1 ZINC000104182873 592604087 /nfs/dbraw/zinc/60/40/87/592604087.db2.gz CCOKNUZORYAQNI-UHFFFAOYSA-N 1 0 240.351 0.750 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1CC(CCO)C1 ZINC000889983615 592667506 /nfs/dbraw/zinc/66/75/06/592667506.db2.gz WUYNDXWKJHAAJB-UHFFFAOYSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CCC[NH2+][C@@H]2C)nn1 ZINC000925704382 634381127 /nfs/dbraw/zinc/38/11/27/634381127.db2.gz GLZSVSHALVEHFI-ZYHUDNBSSA-N 1 0 235.335 0.694 20 30 BCEDRO C=CC[N@@H+]1C[C@@H](NC(=O)c2cn[nH]n2)C(C)(C)C1 ZINC000974796664 634406889 /nfs/dbraw/zinc/40/68/89/634406889.db2.gz YTBQGGJHYBTUAG-SNVBAGLBSA-N 1 0 249.318 0.431 20 30 BCEDRO C=CCn1cc(CN[C@H]2CC[NH2+]C2(C)C)nn1 ZINC000925710849 634409191 /nfs/dbraw/zinc/40/91/91/634409191.db2.gz XZNHEAOXCAOJOE-NSHDSACASA-N 1 0 235.335 0.694 20 30 BCEDRO N#Cc1ccc(CCN[C@@H]2C[NH2+]CCOC2)cc1 ZINC000925714710 634433127 /nfs/dbraw/zinc/43/31/27/634433127.db2.gz VHYFPZYQYZHUBA-CQSZACIVSA-N 1 0 245.326 0.679 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC001027315522 634470195 /nfs/dbraw/zinc/47/01/95/634470195.db2.gz YKELLPZNHNLPNI-GFCCVEGCSA-N 1 0 246.314 0.579 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000893566960 635166681 /nfs/dbraw/zinc/16/66/81/635166681.db2.gz IAUPYHDNNXDGNR-NNYUYHANSA-N 1 0 229.320 0.705 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccon3)[C@@H]2C1 ZINC000977819531 634565848 /nfs/dbraw/zinc/56/58/48/634565848.db2.gz CRHBNCLTEDRIGJ-RTCCRHLQSA-N 1 0 247.298 0.768 20 30 BCEDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCCCN1CCOCC1 ZINC000104174133 634568617 /nfs/dbraw/zinc/56/86/17/634568617.db2.gz GQEQNASLCUKODR-QWRGUYRKSA-N 1 0 240.351 0.021 20 30 BCEDRO C=C(CC)CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000909388035 634589118 /nfs/dbraw/zinc/58/91/18/634589118.db2.gz SMLMHRVVXRISLC-CYBMUJFWSA-N 1 0 240.347 0.916 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC34CC4)[C@@H]2C1 ZINC000978806998 634614830 /nfs/dbraw/zinc/61/48/30/634614830.db2.gz LYGMYQNUTJHSBA-RVMXOQNASA-N 1 0 244.338 0.714 20 30 BCEDRO C#CC[N@H+]1CCCC2(CN(C(=O)C(F)F)C2)C1 ZINC000981568356 635370801 /nfs/dbraw/zinc/37/08/01/635370801.db2.gz BOTJBZUQPCZAMH-UHFFFAOYSA-N 1 0 242.269 0.809 20 30 BCEDRO C=CC[C@H](C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000122764591 635494065 /nfs/dbraw/zinc/49/40/65/635494065.db2.gz DRCPNSTWFWWHJN-UWVGGRQHSA-N 1 0 232.349 0.622 20 30 BCEDRO CC#CCN1CC[C@@H](NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001010383363 635482365 /nfs/dbraw/zinc/48/23/65/635482365.db2.gz VIMAJRGAKHGXIA-CHWSQXEVSA-N 1 0 249.358 0.294 20 30 BCEDRO CSC1(CNC(=[NH2+])N(C)C)CCOCC1 ZINC000178585711 635533960 /nfs/dbraw/zinc/53/39/60/635533960.db2.gz HXOOGTFOZFHLOJ-UHFFFAOYSA-N 1 0 231.365 0.775 20 30 BCEDRO C#CCC1([NH2+]CCCC(=O)NC(N)=O)CCC1 ZINC000933301591 631215967 /nfs/dbraw/zinc/21/59/67/631215967.db2.gz QZDNZKFKLBGEFJ-UHFFFAOYSA-N 1 0 237.303 0.497 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnnc(C)c2)C1 ZINC001022012816 631224337 /nfs/dbraw/zinc/22/43/37/631224337.db2.gz VLDHNBFFKPAFJB-TXEJJXNPSA-N 1 0 244.298 0.269 20 30 BCEDRO CC[N@H+](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971510338 631286485 /nfs/dbraw/zinc/28/64/85/631286485.db2.gz CYHCHUUMCXHEGO-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C=CCOCC[NH2+]CCS(=O)(=O)CC ZINC000308508172 631323670 /nfs/dbraw/zinc/32/36/70/631323670.db2.gz ASYFVRBYARPUGX-UHFFFAOYSA-N 1 0 221.322 0.213 20 30 BCEDRO CCC(C)(C)OCCNC(NC)=[NH+]C ZINC000308552583 631335993 /nfs/dbraw/zinc/33/59/93/631335993.db2.gz BPOITTCMKFWGNF-UHFFFAOYSA-N 1 0 201.314 0.986 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@H]1C[C@H]1C ZINC000308655273 631349540 /nfs/dbraw/zinc/34/95/40/631349540.db2.gz NSKQCPMPEBEPHQ-ZJUUUORDSA-N 1 0 217.334 0.833 20 30 BCEDRO C=CCSCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891453769 631366979 /nfs/dbraw/zinc/36/69/79/631366979.db2.gz WTXVZHOHOARLHY-UWVGGRQHSA-N 1 0 241.360 0.661 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2nccn2)C1 ZINC001022140740 631387977 /nfs/dbraw/zinc/38/79/77/631387977.db2.gz ZUFHRAHWTOYBMT-PHIMTYICSA-N 1 0 249.318 0.091 20 30 BCEDRO CC(C)(C)[NH2+]CCC(=O)N1CCOC[C@@H]1C#N ZINC000933559424 631408589 /nfs/dbraw/zinc/40/85/89/631408589.db2.gz LREDIBWMPYQSFI-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)ncn2C)C1 ZINC001022238279 631427858 /nfs/dbraw/zinc/42/78/58/631427858.db2.gz GUQQTMWSJPEESR-PHIMTYICSA-N 1 0 248.330 0.765 20 30 BCEDRO NC(=[NH2+])NN=C1CCc2c1cccc2O ZINC000308671684 631478837 /nfs/dbraw/zinc/47/88/37/631478837.db2.gz FZMOWGQICJBGAF-UHFFFAOYSA-N 1 0 204.233 0.526 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC001022320418 631481206 /nfs/dbraw/zinc/48/12/06/631481206.db2.gz XXSKBJYKSIPBFZ-FIQHERPVSA-N 1 0 238.331 0.834 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001022352603 631501829 /nfs/dbraw/zinc/50/18/29/631501829.db2.gz XMCJIMXQWIHSQB-DTORHVGOSA-N 1 0 235.291 0.231 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933753987 631504632 /nfs/dbraw/zinc/50/46/32/631504632.db2.gz XCNSLPCSZXDIIO-GVXVVHGQSA-N 1 0 238.331 0.511 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cncn2C)C1 ZINC001022374804 631510676 /nfs/dbraw/zinc/51/06/76/631510676.db2.gz RLTVZPISHAVKLS-PHIMTYICSA-N 1 0 248.330 0.847 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000891904325 631551059 /nfs/dbraw/zinc/55/10/59/631551059.db2.gz JOLBDEIQMORCFH-TUAOUCFPSA-N 1 0 235.331 0.790 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)C=NOC ZINC000308746532 631558309 /nfs/dbraw/zinc/55/83/09/631558309.db2.gz FQFWQTLIPNIHHF-VIFPVBQESA-N 1 0 213.281 0.219 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H](C)CO2)C1 ZINC001022455862 631569606 /nfs/dbraw/zinc/56/96/06/631569606.db2.gz AARYRKGAZHELPC-NNYUYHANSA-N 1 0 238.331 0.834 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@H]1CO ZINC000934025491 631601434 /nfs/dbraw/zinc/60/14/34/631601434.db2.gz IKKKWBZSOJSJLR-VIFPVBQESA-N 1 0 200.307 0.700 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](CNC(=O)C2CC2)C1 ZINC001028365772 635659157 /nfs/dbraw/zinc/65/91/57/635659157.db2.gz PVDFPQUBTYPVEF-NSHDSACASA-N 1 0 220.316 0.858 20 30 BCEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@@H]1CO ZINC000934029969 631628217 /nfs/dbraw/zinc/62/82/17/631628217.db2.gz JQLZQCIYQOAGGA-PWSUYJOCSA-N 1 0 239.319 0.107 20 30 BCEDRO CC(C)[C@](C)(C#N)NC(=O)CN1CC[C@H]1CO ZINC000934029968 631629032 /nfs/dbraw/zinc/62/90/32/631629032.db2.gz JQLZQCIYQOAGGA-JQWIXIFHSA-N 1 0 239.319 0.107 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cnn(C)c2)C1 ZINC001028394938 635665861 /nfs/dbraw/zinc/66/58/61/635665861.db2.gz JAUXBWQKAHWDMB-NSHDSACASA-N 1 0 246.314 0.105 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001028419116 635668568 /nfs/dbraw/zinc/66/85/68/635668568.db2.gz SFVBWRIMEOPSBK-LLVKDONJSA-N 1 0 246.314 0.485 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001028422192 635668765 /nfs/dbraw/zinc/66/87/65/635668765.db2.gz ATARGVBMBIYGQL-LLVKDONJSA-N 1 0 246.314 0.403 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001028419402 635669594 /nfs/dbraw/zinc/66/95/94/635669594.db2.gz YNCXYUPKADWFHX-LLVKDONJSA-N 1 0 246.314 0.485 20 30 BCEDRO COC(=O)C[C@H]([NH2+]C[C@H](O)CC#N)C(C)(C)C ZINC000934033483 631633481 /nfs/dbraw/zinc/63/34/81/631633481.db2.gz JRLVQNXRGVDQTQ-ZJUUUORDSA-N 1 0 242.319 0.828 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1COCC[C@H]1OC ZINC000934035425 631635806 /nfs/dbraw/zinc/63/58/06/631635806.db2.gz NOLVOTZWBMYCMN-GHMZBOCLSA-N 1 0 213.277 0.030 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cocn2)C1 ZINC001028446158 635674683 /nfs/dbraw/zinc/67/46/83/635674683.db2.gz AVJFRFVRXPHIRU-NSHDSACASA-N 1 0 247.298 0.750 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](CNC(=O)c2cocn2)C1 ZINC001028445598 635674795 /nfs/dbraw/zinc/67/47/95/635674795.db2.gz SAKUAKJWYUTELQ-LLVKDONJSA-N 1 0 247.298 0.750 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(C#N)cc1 ZINC000308775066 631640644 /nfs/dbraw/zinc/64/06/44/631640644.db2.gz DNWNAWPNHKYEEJ-UHFFFAOYSA-N 1 0 201.233 0.765 20 30 BCEDRO NC(=[NH2+])NN=Cc1cc(F)c(F)cc1F ZINC000308777348 631641731 /nfs/dbraw/zinc/64/17/31/631641731.db2.gz GKCMUIUXHNGNMF-UHFFFAOYSA-N 1 0 216.166 0.921 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](CO)C(=C)C)[C@H]1CCCO1 ZINC000308816131 631665261 /nfs/dbraw/zinc/66/52/61/631665261.db2.gz AQHLXYBXRGAEFY-SDDRHHMPSA-N 1 0 209.289 0.694 20 30 BCEDRO CCOCCON=Cc1cnc(N)nc1 ZINC000308819407 631672551 /nfs/dbraw/zinc/67/25/51/631672551.db2.gz GBSZIKLYDIMNKY-UHFFFAOYSA-N 1 0 210.237 0.446 20 30 BCEDRO C=CC[C@@H](CO)Nc1cc(C)[nH+]c(N)n1 ZINC000308838734 631676715 /nfs/dbraw/zinc/67/67/15/631676715.db2.gz MJTQSIUFHPFOJF-QMMMGPOBSA-N 1 0 208.265 0.716 20 30 BCEDRO C#C[C@H]([NH2+]CCC(C)(C)O)[C@H]1CCCO1 ZINC000308832654 631678878 /nfs/dbraw/zinc/67/88/78/631678878.db2.gz GTYMJDAAXOJMGJ-WDEREUQCSA-N 1 0 211.305 0.918 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2c(C)cnn2C)C1 ZINC001022561093 631692394 /nfs/dbraw/zinc/69/23/94/631692394.db2.gz FWAAEZSQJJONLC-PHIMTYICSA-N 1 0 248.330 0.765 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000934129851 631706206 /nfs/dbraw/zinc/70/62/06/631706206.db2.gz WJCMYOZZURKJSZ-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@H](F)C2)C1 ZINC001022606522 631727466 /nfs/dbraw/zinc/72/74/66/631727466.db2.gz JAYIOLVJNCLGQT-KXNHARMFSA-N 1 0 238.306 0.995 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)Cc1cccnc1 ZINC000934240288 631742301 /nfs/dbraw/zinc/74/23/01/631742301.db2.gz UPJCYOUIOZNKTM-NEPJUHHUSA-N 1 0 245.326 0.740 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@H]2C[C@@H]2C)C1 ZINC001022657865 631742830 /nfs/dbraw/zinc/74/28/30/631742830.db2.gz VKXZEYDUVRJWBZ-WHOHXGKFSA-N 1 0 220.316 0.903 20 30 BCEDRO C#CCN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934254292 631749699 /nfs/dbraw/zinc/74/96/99/631749699.db2.gz JBWDSBGWYAPYCQ-NEPJUHHUSA-N 1 0 208.305 0.151 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2conc2CC)C1 ZINC001022666960 631749793 /nfs/dbraw/zinc/74/97/93/631749793.db2.gz SNXXOWDCEDYZAS-AOOOYVTPSA-N 1 0 247.298 0.721 20 30 BCEDRO C=CCN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934254777 631750310 /nfs/dbraw/zinc/75/03/10/631750310.db2.gz ZKUHDZLNLNZWFG-VXGBXAGGSA-N 1 0 210.321 0.703 20 30 BCEDRO CC#CCN1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934263077 631751592 /nfs/dbraw/zinc/75/15/92/631751592.db2.gz MXURYJHHCNXJPR-CHWSQXEVSA-N 1 0 222.332 0.541 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2C[C@H]2C)C1 ZINC000972090476 631763085 /nfs/dbraw/zinc/76/30/85/631763085.db2.gz KSLKAXQZYTWGTI-GRYCIOLGSA-N 1 0 220.316 0.808 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000892196863 631776027 /nfs/dbraw/zinc/77/60/27/631776027.db2.gz QLDYHEPEVOCJAW-LMLFDSFASA-N 1 0 236.319 0.810 20 30 BCEDRO C[C@H](CC#N)NC[C@@H](O)C[NH+]1CCCC1 ZINC000309001516 631800624 /nfs/dbraw/zinc/80/06/24/631800624.db2.gz OFMMIMHJAVUCOH-GHMZBOCLSA-N 1 0 211.309 0.335 20 30 BCEDRO C[C@@H](CC#N)NC[C@@H](O)C[NH+]1CCCC1 ZINC000309001519 631801924 /nfs/dbraw/zinc/80/19/24/631801924.db2.gz OFMMIMHJAVUCOH-WDEREUQCSA-N 1 0 211.309 0.335 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934398256 631822257 /nfs/dbraw/zinc/82/22/57/631822257.db2.gz STFRWGLUVNZJLV-LLVKDONJSA-N 1 0 238.331 0.980 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934401175 631825954 /nfs/dbraw/zinc/82/59/54/631825954.db2.gz BTVKNNZSWHYPBJ-VXGBXAGGSA-N 1 0 241.331 0.851 20 30 BCEDRO CCN(CCC#N)C[C@H](O)C[NH+]1CCCC1 ZINC000309056097 631833164 /nfs/dbraw/zinc/83/31/64/631833164.db2.gz COYQBXSTLIUGJR-LBPRGKRZSA-N 1 0 225.336 0.679 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](O)C1(O)CCC1 ZINC000934459062 631847193 /nfs/dbraw/zinc/84/71/93/631847193.db2.gz ABKWCKQDXOQGCN-MNOVXSKESA-N 1 0 211.305 0.913 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCN1C(=O)N[C@@H](C)C1=O ZINC000934460554 631848377 /nfs/dbraw/zinc/84/83/77/631848377.db2.gz QIIVSKVTLSACPF-VHSXEESVSA-N 1 0 237.303 0.577 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@@](C)(O)C(=O)OCC ZINC000934460817 631850260 /nfs/dbraw/zinc/85/02/60/631850260.db2.gz JVRJZHFIAQSRIB-ZYHUDNBSSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CC1CN(S(C)(=O)=O)C1 ZINC000934459663 631850602 /nfs/dbraw/zinc/85/06/02/631850602.db2.gz KWNBZUXDWUCGCW-NSHDSACASA-N 1 0 244.360 0.528 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCCNS(=O)(=O)CC ZINC000934460198 631851725 /nfs/dbraw/zinc/85/17/25/631851725.db2.gz JXHGHIRUCZZSME-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCCOC(=O)NC(N)=O ZINC000934460330 631853880 /nfs/dbraw/zinc/85/38/80/631853880.db2.gz LGUBVZBZZKVPEF-SECBINFHSA-N 1 0 241.291 0.832 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@H](O)CC(=O)OCC ZINC000934461421 631856491 /nfs/dbraw/zinc/85/64/91/631856491.db2.gz XSQLUSPEBRSUGH-WDEREUQCSA-N 1 0 227.304 0.951 20 30 BCEDRO C[C@H]1CC[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000309099203 631882138 /nfs/dbraw/zinc/88/21/38/631882138.db2.gz DZDGELSUZRLHDB-IUCAKERBSA-N 1 0 205.265 0.538 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@H](C)C(N)=O)cc1 ZINC000309116471 631888103 /nfs/dbraw/zinc/88/81/03/631888103.db2.gz LRWWDSPPHAFFBQ-SECBINFHSA-N 1 0 202.257 0.631 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1CCC(=O)N(C)C ZINC000934510831 631893399 /nfs/dbraw/zinc/89/33/99/631893399.db2.gz CRHLEWBUTAWIMO-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC23CC3)C1 ZINC001022767242 631899600 /nfs/dbraw/zinc/89/96/00/631899600.db2.gz SHNFFZSORJTRCW-AXFHLTTASA-N 1 0 218.300 0.657 20 30 BCEDRO COC(=O)[C@H]1CCCN1CCO[C@H](C)C#N ZINC000309133944 631903717 /nfs/dbraw/zinc/90/37/17/631903717.db2.gz JRNCYBFMEIYSGG-NXEZZACHSA-N 1 0 226.276 0.552 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001022774942 631915675 /nfs/dbraw/zinc/91/56/75/631915675.db2.gz FWPFEWZXFNOIIL-PHIMTYICSA-N 1 0 248.330 0.765 20 30 BCEDRO C=CCNC(=O)CNc1cc(C)[nH+]c(N)n1 ZINC000309278078 631982280 /nfs/dbraw/zinc/98/22/80/631982280.db2.gz MOXRSQYESKVASE-UHFFFAOYSA-N 1 0 221.264 0.081 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)n2)C1 ZINC001022850186 631988455 /nfs/dbraw/zinc/98/84/55/631988455.db2.gz DUZGHQHTWLEGMU-AOOOYVTPSA-N 1 0 249.318 0.242 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001022867823 632011449 /nfs/dbraw/zinc/01/14/49/632011449.db2.gz GRNBNKLUERXIMJ-DTORHVGOSA-N 1 0 235.291 0.231 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000972414868 632026449 /nfs/dbraw/zinc/02/64/49/632026449.db2.gz FRPGLKXPAFLSPO-GFCCVEGCSA-N 1 0 246.314 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001022890561 632035104 /nfs/dbraw/zinc/03/51/04/632035104.db2.gz DBBBRRORUPDHIR-LOWVWBTDSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@]23CCOC3)C1 ZINC001022948408 632075601 /nfs/dbraw/zinc/07/56/01/632075601.db2.gz VKHIRCCQWHTZTQ-KZVDOYCCSA-N 1 0 248.326 0.283 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@]23CCOC3)C1 ZINC001022948406 632075687 /nfs/dbraw/zinc/07/56/87/632075687.db2.gz VKHIRCCQWHTZTQ-CZXHOFHRSA-N 1 0 248.326 0.283 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCCC#N)[C@H]2C1 ZINC000894131779 635699258 /nfs/dbraw/zinc/69/92/58/635699258.db2.gz XRCLGOSIZHBICJ-MNOVXSKESA-N 1 0 236.319 0.636 20 30 BCEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC#N ZINC000426416856 635711697 /nfs/dbraw/zinc/71/16/97/635711697.db2.gz MMTFKDOJCJFUFW-ONGXEEELSA-N 1 0 236.319 0.682 20 30 BCEDRO C#CCNC(=O)CN1CC[C@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000156373581 632131000 /nfs/dbraw/zinc/13/10/00/632131000.db2.gz UVCBHJZLLOWTPD-STQMWFEESA-N 1 0 249.358 0.152 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028649756 635770834 /nfs/dbraw/zinc/77/08/34/635770834.db2.gz IZROHZGFVLSDDR-SECBINFHSA-N 1 0 235.291 0.042 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028654118 635772421 /nfs/dbraw/zinc/77/24/21/635772421.db2.gz XMHAMCFGRCNHLU-SNVBAGLBSA-N 1 0 249.318 0.433 20 30 BCEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C1CC1 ZINC000309500408 632416842 /nfs/dbraw/zinc/41/68/42/632416842.db2.gz LKSDYDPGVIVLKV-HGNGGELXSA-N 1 0 207.277 0.260 20 30 BCEDRO CC(C)[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000309509468 632432653 /nfs/dbraw/zinc/43/26/53/632432653.db2.gz ORDAMHSHAZMWON-GUBZILKMSA-N 1 0 209.293 0.506 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001023457824 632466410 /nfs/dbraw/zinc/46/64/10/632466410.db2.gz ZRYSMLFLRLPGTK-JTQLQIEISA-N 1 0 249.318 0.433 20 30 BCEDRO C#C[C@@H]([NH2+]CCCCCO)[C@@H]1CCCO1 ZINC000308934435 632519718 /nfs/dbraw/zinc/51/97/18/632519718.db2.gz NQUHHNDLMUIYIA-NEPJUHHUSA-N 1 0 211.305 0.919 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccs1 ZINC000309637153 632596851 /nfs/dbraw/zinc/59/68/51/632596851.db2.gz NBKQHFXSRVLOAC-YUMQZZPRSA-N 1 0 221.285 0.589 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000309748465 632663781 /nfs/dbraw/zinc/66/37/81/632663781.db2.gz YPXNSMVDAMCNON-AXFHLTTASA-N 1 0 226.320 0.738 20 30 BCEDRO CON=Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000255677524 632692212 /nfs/dbraw/zinc/69/22/12/632692212.db2.gz WKEMITOYUAYBAO-LBPRGKRZSA-N 1 0 247.298 0.759 20 30 BCEDRO CNC(=O)[C@H]1CCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000310303018 632717244 /nfs/dbraw/zinc/71/72/44/632717244.db2.gz PHXCQMMMHOBDNI-MNOVXSKESA-N 1 0 239.319 0.373 20 30 BCEDRO C[C@@H](C#N)OCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000310470334 632746721 /nfs/dbraw/zinc/74/67/21/632746721.db2.gz BFESOJXLANHNJE-QWHCGFSZSA-N 1 0 237.347 0.943 20 30 BCEDRO CCNC(NCCCOCCOC)=[NH+]CC ZINC000066245004 632860370 /nfs/dbraw/zinc/86/03/70/632860370.db2.gz MMAGTKNUMBRORC-UHFFFAOYSA-N 1 0 231.340 0.615 20 30 BCEDRO Cc1ccnc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000841183911 635834021 /nfs/dbraw/zinc/83/40/21/635834021.db2.gz WUZVNJWGHOZZTC-ZJUUUORDSA-N 1 0 245.286 0.623 20 30 BCEDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCC#CCO ZINC000923783455 632893808 /nfs/dbraw/zinc/89/38/08/632893808.db2.gz XCNFHLZUFPGWKT-NSHDSACASA-N 1 0 241.335 0.012 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2nocc2C)C1 ZINC001028914280 635849711 /nfs/dbraw/zinc/84/97/11/635849711.db2.gz QKCWRHOQEZJAAY-NSHDSACASA-N 1 0 247.298 0.668 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H]([NH3+])CCOC ZINC000052791126 632897786 /nfs/dbraw/zinc/89/77/86/632897786.db2.gz HVTKDEGUXZZUFU-SNVBAGLBSA-N 1 0 212.293 0.551 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC000935675825 632921052 /nfs/dbraw/zinc/92/10/52/632921052.db2.gz XETPHQJNVGOWSE-LLVKDONJSA-N 1 0 238.331 0.577 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC000935675827 632922290 /nfs/dbraw/zinc/92/22/90/632922290.db2.gz XETPHQJNVGOWSE-NSHDSACASA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCCC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC000229831133 632991989 /nfs/dbraw/zinc/99/19/89/632991989.db2.gz KSVMTNQYRUTGPQ-VXGBXAGGSA-N 1 0 229.320 0.402 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001018597622 633102462 /nfs/dbraw/zinc/10/24/62/633102462.db2.gz JDEUQCSICKDGSM-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO CNC(=O)CNC(=[NH2+])N[C@H](C)CCCC(C)C ZINC000170907040 633176479 /nfs/dbraw/zinc/17/64/79/633176479.db2.gz ZKANCEOEPFIACH-SNVBAGLBSA-N 1 0 242.367 0.852 20 30 BCEDRO CCCCNC(=[NH2+])NCCCC(=O)N(C)C ZINC000170910193 633177275 /nfs/dbraw/zinc/17/72/75/633177275.db2.gz JKHVETYVSDJRBG-UHFFFAOYSA-N 1 0 228.340 0.559 20 30 BCEDRO CC[C@](C)(O)CNC(=[NH2+])N1CCSCC1 ZINC000170912757 633177365 /nfs/dbraw/zinc/17/73/65/633177365.db2.gz BDWDSGFXUKGKNP-JTQLQIEISA-N 1 0 231.365 0.511 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)C#CC2CC2)CC[N@@H+]1C ZINC000928430570 635915496 /nfs/dbraw/zinc/91/54/96/635915496.db2.gz HTGMSYUNYZATNZ-MWLCHTKSSA-N 1 0 206.289 0.609 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](CCO)C1CC1 ZINC000309536340 633190641 /nfs/dbraw/zinc/19/06/41/633190641.db2.gz FEAIFMKZIAWSRH-GXSJLCMTSA-N 1 0 226.320 0.428 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000926838365 633190854 /nfs/dbraw/zinc/19/08/54/633190854.db2.gz DJFVQFWQXFDARA-MNOVXSKESA-N 1 0 243.351 0.827 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccoc1 ZINC000309635628 633215280 /nfs/dbraw/zinc/21/52/80/633215280.db2.gz MIWVGDKKILRSHD-IUCAKERBSA-N 1 0 205.217 0.121 20 30 BCEDRO CNC(=S)NN=C(C)CC[NH+](C)C ZINC000308262524 633221285 /nfs/dbraw/zinc/22/12/85/633221285.db2.gz NIXKTNCCQDUIKU-UHFFFAOYSA-N 1 0 202.327 0.408 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1cccnc1N(C)C ZINC000303885326 635934155 /nfs/dbraw/zinc/93/41/55/635934155.db2.gz JSDSIZBKCPWMGY-UHFFFAOYSA-N 1 0 235.335 0.960 20 30 BCEDRO CN(C(=[NH2+])NC[C@@]1(C)CCCO1)C1CC1 ZINC000305796187 635955500 /nfs/dbraw/zinc/95/55/00/635955500.db2.gz ANERKVJBFUZXRB-LLVKDONJSA-N 1 0 211.309 0.964 20 30 BCEDRO CNC(NC[C@@H](O)c1ccsc1)=[NH+]C ZINC000306790326 635974802 /nfs/dbraw/zinc/97/48/02/635974802.db2.gz VKUXUVFGGOWNIY-MRVPVSSYSA-N 1 0 213.306 0.576 20 30 BCEDRO CON(C)C(=O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000895042763 636019676 /nfs/dbraw/zinc/01/96/76/636019676.db2.gz LQNNILKMMVMRPG-NXEZZACHSA-N 1 0 225.292 0.678 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C2CCOCC2)C1=O ZINC000336725174 636001374 /nfs/dbraw/zinc/00/13/74/636001374.db2.gz PTCWHCDAUBHLJY-GFCCVEGCSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC(=O)N(C[C@H]2CC[N@H+]2CC)C1=O ZINC000925095116 636001432 /nfs/dbraw/zinc/00/14/32/636001432.db2.gz GVLMYQFKDXVNPS-SNVBAGLBSA-N 1 0 237.303 0.531 20 30 BCEDRO C/[NH+]=C(/N(C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000428757244 636026351 /nfs/dbraw/zinc/02/63/51/636026351.db2.gz PWDVZFZZHLEJCU-LUAWRHEFSA-N 1 0 247.364 0.043 20 30 BCEDRO C#CCNC(=O)c1cccn1C1CC[NH2+]CC1 ZINC000054442701 636036129 /nfs/dbraw/zinc/03/61/29/636036129.db2.gz MVYDIONPGIVUKN-UHFFFAOYSA-N 1 0 231.299 0.776 20 30 BCEDRO C=CCCC[N@@H+](C)CN1CC(=O)N(C)C1=O ZINC000182281444 636044932 /nfs/dbraw/zinc/04/49/32/636044932.db2.gz SZPJRHFSCIRUOW-UHFFFAOYSA-N 1 0 225.292 0.736 20 30 BCEDRO CCOCCCNC(=[NH2+])NCCCOCC ZINC000059537596 636046389 /nfs/dbraw/zinc/04/63/89/636046389.db2.gz KSWGUMYBQXAQBP-UHFFFAOYSA-N 1 0 231.340 0.744 20 30 BCEDRO CO[C@](C)(C[NH2+][C@H]1CCCN(O)C1=O)C1CC1 ZINC000895157420 636099294 /nfs/dbraw/zinc/09/92/94/636099294.db2.gz CHWBKGIJZYLFCU-CMPLNLGQSA-N 1 0 242.319 0.771 20 30 BCEDRO C[C@@H]1CSC[C@@H]1[NH2+][C@@H]1CCCN(O)C1=O ZINC000895158437 636100667 /nfs/dbraw/zinc/10/06/67/636100667.db2.gz IPWXFICZXGXSBQ-HLTSFMKQSA-N 1 0 230.333 0.708 20 30 BCEDRO C#C[C@@H]1COCCN1CCC(OC)OC ZINC000852161128 633726292 /nfs/dbraw/zinc/72/62/92/633726292.db2.gz FRPFCWXAMXFMAN-SNVBAGLBSA-N 1 0 213.277 0.329 20 30 BCEDRO CC(=O)OC[C@@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000892909421 633727042 /nfs/dbraw/zinc/72/70/42/633727042.db2.gz KLTXBQXAWFBKLE-SNVBAGLBSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C ZINC001025664680 633740788 /nfs/dbraw/zinc/74/07/88/633740788.db2.gz QYGVGDSGBDDLQB-FHUSYTEZSA-N 1 0 232.327 0.712 20 30 BCEDRO CC1(C)OCC(CO)([NH2+]CCCC#N)CO1 ZINC000309801113 633754857 /nfs/dbraw/zinc/75/48/57/633754857.db2.gz REUSFIGBBSRECB-UHFFFAOYSA-N 1 0 228.292 0.394 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000309811994 633767039 /nfs/dbraw/zinc/76/70/39/633767039.db2.gz ULKYBCZGEQEXCH-GHMZBOCLSA-N 1 0 247.360 0.744 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(F)F)C1 ZINC001019931300 633798313 /nfs/dbraw/zinc/79/83/13/633798313.db2.gz LIIPIIKPYSXAGT-ZKCHVHJHSA-N 1 0 216.231 0.512 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C(F)F)C1 ZINC001019911457 633799423 /nfs/dbraw/zinc/79/94/23/633799423.db2.gz GAIVYSMHWCJBEP-LJGSYFOKSA-N 1 0 202.204 0.122 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C(C)(C)F)C1 ZINC001019929117 633800419 /nfs/dbraw/zinc/80/04/19/633800419.db2.gz YKQZCZJTTMKBON-KYZUINATSA-N 1 0 212.268 0.605 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001019973553 633803166 /nfs/dbraw/zinc/80/31/66/633803166.db2.gz FUDYLTSSKXSEIV-DCAQKATOSA-N 1 0 222.288 0.035 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnccn2)C1 ZINC001019948890 633803259 /nfs/dbraw/zinc/80/32/59/633803259.db2.gz VYYLOUXZUWWGFS-MGCOHNPYSA-N 1 0 232.287 0.513 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001020028869 633807253 /nfs/dbraw/zinc/80/72/53/633807253.db2.gz MHJKGPPCOZARCY-MGCOHNPYSA-N 1 0 234.303 0.755 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001020015879 633807589 /nfs/dbraw/zinc/80/75/89/633807589.db2.gz LMDNXDGZCGUVDW-GMTAPVOTSA-N 1 0 224.304 0.446 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](O)[C@@H](C)C1 ZINC000308799604 633817179 /nfs/dbraw/zinc/81/71/79/633817179.db2.gz MBXKTABWMFPHTK-AXFHLTTASA-N 1 0 212.293 0.618 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CO)C1CC1 ZINC000308861303 633824707 /nfs/dbraw/zinc/82/47/07/633824707.db2.gz RMVFHHGMUGYOTH-PSASIEDQSA-N 1 0 212.293 0.038 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1C[C@@H]1C ZINC001026008499 633830820 /nfs/dbraw/zinc/83/08/20/633830820.db2.gz PHJNJCCMPDMEAW-ZXPJVPCYSA-N 1 0 232.327 0.712 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C(C)C ZINC001026128812 633853741 /nfs/dbraw/zinc/85/37/41/633853741.db2.gz XFHOMNVSGJYRPI-MEBFFEOJSA-N 1 0 246.354 0.958 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)COC)C[C@@H]12 ZINC001026160058 633861853 /nfs/dbraw/zinc/86/18/53/633861853.db2.gz UUYAWVQHUNIPHV-IJLUTSLNSA-N 1 0 236.315 0.093 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCCn1ccnn1 ZINC000181375182 633915000 /nfs/dbraw/zinc/91/50/00/633915000.db2.gz SMTCRUFBVXPCAL-VIFPVBQESA-N 1 0 224.312 0.371 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCCOC1 ZINC000309568310 633956936 /nfs/dbraw/zinc/95/69/36/633956936.db2.gz MYHWPPQXUBKMCX-GHMZBOCLSA-N 1 0 224.304 0.141 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000930644953 633976441 /nfs/dbraw/zinc/97/64/41/633976441.db2.gz HWPOQLVXGWUOBZ-XQQFMLRXSA-N 1 0 242.363 0.310 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947671727 633984799 /nfs/dbraw/zinc/98/47/99/633984799.db2.gz NPBRROMOIFGFLG-ZJUUUORDSA-N 1 0 239.319 0.017 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccsc1 ZINC000309653322 633984957 /nfs/dbraw/zinc/98/49/57/633984957.db2.gz UNYDRDALVUIFMK-IUCAKERBSA-N 1 0 221.285 0.589 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)Cc1ccnc(OC)c1 ZINC000895490356 636151105 /nfs/dbraw/zinc/15/11/05/636151105.db2.gz NUEGAFHLNQHCPD-DGCLKSJQSA-N 1 0 248.326 0.995 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)COCC)[C@H]1CCCO1 ZINC000309913897 634041896 /nfs/dbraw/zinc/04/18/96/634041896.db2.gz OGOLPXVWJURBAB-GRYCIOLGSA-N 1 0 227.304 0.154 20 30 BCEDRO CCCCCCNC(=[NH2+])NCC(=O)N(C)CC ZINC000187053001 634093869 /nfs/dbraw/zinc/09/38/69/634093869.db2.gz LXZGTYZTUTVYCJ-UHFFFAOYSA-N 1 0 242.367 0.949 20 30 BCEDRO CCOC(C)(C)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000187120448 634096794 /nfs/dbraw/zinc/09/67/94/634096794.db2.gz GNODJCRAUCHRBN-SNVBAGLBSA-N 1 0 243.351 0.885 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H]2CCCS2(=O)=O)C1 ZINC000930884592 634152736 /nfs/dbraw/zinc/15/27/36/634152736.db2.gz GEBFUMQPFVUSDX-NEPJUHHUSA-N 1 0 241.356 0.909 20 30 BCEDRO C=CC[N@H+](C[C@H](O)C1(O)CCC1)[C@H](C)COC ZINC000930931777 634183014 /nfs/dbraw/zinc/18/30/14/634183014.db2.gz ATCCTTBPWLYTOW-NEPJUHHUSA-N 1 0 243.347 0.785 20 30 BCEDRO C#CC[NH2+]C1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC001026520399 634201236 /nfs/dbraw/zinc/20/12/36/634201236.db2.gz PQEVEUWGUULVRR-UHFFFAOYSA-N 1 0 247.302 0.069 20 30 BCEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@H]2CNCCOC2)C1 ZINC000925681808 634282591 /nfs/dbraw/zinc/28/25/91/634282591.db2.gz QPXFKDKVVVCAJW-SRVKXCTJSA-N 1 0 223.320 0.647 20 30 BCEDRO CC[NH2+]C[C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001026758905 634330618 /nfs/dbraw/zinc/33/06/18/634330618.db2.gz VUNNFBJLOCVVOK-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](C)NC(=O)OC(C)(C)C ZINC000195165515 634352519 /nfs/dbraw/zinc/35/25/19/634352519.db2.gz GYRXMELCZPFOCX-SSDOTTSWSA-N 1 0 230.312 0.434 20 30 BCEDRO CNC(=[NH2+])NC[C@H](C)NC(=O)OC(C)(C)C ZINC000195165503 634352937 /nfs/dbraw/zinc/35/29/37/634352937.db2.gz GYRXMELCZPFOCX-ZETCQYMHSA-N 1 0 230.312 0.434 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001027766013 635139619 /nfs/dbraw/zinc/13/96/19/635139619.db2.gz PYNORYVJASDLGY-JTQLQIEISA-N 1 0 234.303 0.790 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001027762599 635140046 /nfs/dbraw/zinc/14/00/46/635140046.db2.gz PRPAIKVWQULZBO-LLVKDONJSA-N 1 0 246.314 0.627 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCC(F)(F)CO ZINC000184823384 635153418 /nfs/dbraw/zinc/15/34/18/635153418.db2.gz DOHMRPINGXQJLN-UHFFFAOYSA-N 1 0 209.240 0.317 20 30 BCEDRO C[C@H]1C[C@@H](NC(=O)NCCC#N)CC[N@@H+]1C ZINC000336468130 635157991 /nfs/dbraw/zinc/15/79/91/635157991.db2.gz JYSGKDVONKUHFL-UWVGGRQHSA-N 1 0 224.308 0.682 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cc[n+]([O-])cc2)C1 ZINC001010034804 635167706 /nfs/dbraw/zinc/16/77/06/635167706.db2.gz XMIXGHKKIIVYTG-LBPRGKRZSA-N 1 0 247.298 0.310 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn(C)nn1 ZINC001027861433 635180271 /nfs/dbraw/zinc/18/02/71/635180271.db2.gz XICRBPUEPGNKAQ-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001010111995 635202436 /nfs/dbraw/zinc/20/24/36/635202436.db2.gz ARRACNLSDWBCQW-LLVKDONJSA-N 1 0 234.303 0.410 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)COC)CC1 ZINC000980576757 635239849 /nfs/dbraw/zinc/23/98/49/635239849.db2.gz CLTCDFUFDXLPIH-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO C=CC[N@@H+]1CCCN(C(=O)[C@H]2CCOC2)CC1 ZINC000980800679 635275206 /nfs/dbraw/zinc/27/52/06/635275206.db2.gz APYYHLLEZGOTND-LBPRGKRZSA-N 1 0 238.331 0.743 20 30 BCEDRO COCC#CCN1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931721291 635277744 /nfs/dbraw/zinc/27/77/44/635277744.db2.gz MZZIPWPLFHRGIR-OLZOCXBDSA-N 1 0 222.332 0.805 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001027990406 635286647 /nfs/dbraw/zinc/28/66/47/635286647.db2.gz KJROXSMSICFNCQ-SECBINFHSA-N 1 0 235.291 0.185 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cncn1C ZINC001028002911 635297568 /nfs/dbraw/zinc/29/75/68/635297568.db2.gz BBODBNVRVUUQKL-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000931752079 635310005 /nfs/dbraw/zinc/31/00/05/635310005.db2.gz IPOYUZHUWRUMMO-IJLUTSLNSA-N 1 0 224.304 0.762 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cnco2)C1 ZINC000981250017 635348224 /nfs/dbraw/zinc/34/82/24/635348224.db2.gz VPXNDORLWJMCJW-MNOVXSKESA-N 1 0 247.298 0.938 20 30 BCEDRO C#CC[N@H+]1CCCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC000981670416 635383411 /nfs/dbraw/zinc/38/34/11/635383411.db2.gz VXCVBDUVHSWFHR-LBPRGKRZSA-N 1 0 245.326 0.704 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)c2cnccn2)C1 ZINC001028380363 635663635 /nfs/dbraw/zinc/66/36/35/635663635.db2.gz JFWYOIAWWLSJIB-LLVKDONJSA-N 1 0 246.314 0.714 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cnccn2)C1 ZINC001028380364 635664034 /nfs/dbraw/zinc/66/40/34/635664034.db2.gz JFWYOIAWWLSJIB-NSHDSACASA-N 1 0 246.314 0.714 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@]3(CCC[NH2+]3)C2)C1=O ZINC000334981601 635865967 /nfs/dbraw/zinc/86/59/67/635865967.db2.gz UCYBSIHUAZGRAA-JSGCOSHPSA-N 1 0 249.358 0.601 20 30 BCEDRO C#CCSCC(=O)NCC[NH+](C)C ZINC000895469640 636146722 /nfs/dbraw/zinc/14/67/22/636146722.db2.gz LCOGYLMBPPHNNE-UHFFFAOYSA-N 1 0 200.307 0.031 20 30 BCEDRO C#C[C@H](C)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000895676339 636172926 /nfs/dbraw/zinc/17/29/26/636172926.db2.gz QHWOZAXPEYWESN-GMXVVIOVSA-N 1 0 235.331 0.601 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C1CCN(C)CC1 ZINC000320282597 636203244 /nfs/dbraw/zinc/20/32/44/636203244.db2.gz OFQPEURRKSCAPT-LBPRGKRZSA-N 1 0 212.337 0.997 20 30 BCEDRO C#Cc1cnc(N2C[C@H]3C[NH+](C)C[C@@]3(C)C2)nc1 ZINC000896912865 636254974 /nfs/dbraw/zinc/25/49/74/636254974.db2.gz GZKQYVRYBSXNAH-OCCSQVGLSA-N 1 0 242.326 0.846 20 30 BCEDRO C#CC[N@@H+](C)C1CCN(C(=O)C(F)F)CC1 ZINC000985190737 636262504 /nfs/dbraw/zinc/26/25/04/636262504.db2.gz JZCCTHRVEFESIG-UHFFFAOYSA-N 1 0 230.258 0.808 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2ocnc2C)CC1 ZINC000928655859 636273831 /nfs/dbraw/zinc/27/38/31/636273831.db2.gz BEYNDFSXTNVHFS-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[NH+](C)C1CCN(C(=O)c2cn[nH]c2)CC1 ZINC000985291726 636276400 /nfs/dbraw/zinc/27/64/00/636276400.db2.gz XIXKYKDCALAWCX-UHFFFAOYSA-N 1 0 246.314 0.579 20 30 BCEDRO CNC(=[NH2+])NCc1cnn(-c2ccccc2)c1 ZINC000303255497 636304534 /nfs/dbraw/zinc/30/45/34/636304534.db2.gz GKRJLAWRGAMQCE-UHFFFAOYSA-N 1 0 229.287 0.906 20 30 BCEDRO CNC(=[NH2+])NCCCOC[C@@H]1CCCO1 ZINC000303269052 636305297 /nfs/dbraw/zinc/30/52/97/636305297.db2.gz ZQMCBLCLGZWBPD-VIFPVBQESA-N 1 0 215.297 0.106 20 30 BCEDRO [NH2+]=C(NCCc1ccccn1)NCC1CC1 ZINC000303776211 636313079 /nfs/dbraw/zinc/31/30/79/636313079.db2.gz HQLQIYXESDJHDA-UHFFFAOYSA-N 1 0 218.304 0.938 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCCS(C)(=O)=O ZINC000303882401 636315633 /nfs/dbraw/zinc/31/56/33/636315633.db2.gz LKSQXWMCRGJKDD-UHFFFAOYSA-N 1 0 235.353 0.078 20 30 BCEDRO CC(C)OCCNC(=[NH2+])N1CCSCC1 ZINC000305796172 636333270 /nfs/dbraw/zinc/33/32/70/636333270.db2.gz AMSCWLPYUZOJBT-UHFFFAOYSA-N 1 0 231.365 0.775 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)COC)[C@@H]1C ZINC000985847919 636430621 /nfs/dbraw/zinc/43/06/21/636430621.db2.gz QOHXWEKXBDTCFL-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CCC2)[C@@H]1C ZINC000985850447 636431390 /nfs/dbraw/zinc/43/13/90/636431390.db2.gz UNOWCLCNPBIELC-PWSUYJOCSA-N 1 0 220.316 0.999 20 30 BCEDRO COC(=O)c1cccc(CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262668875 636441733 /nfs/dbraw/zinc/44/17/33/636441733.db2.gz QAPDQUVSJDZOBW-VIFPVBQESA-N 1 0 247.298 0.911 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cccnc2)[C@H]1C ZINC000985887035 636445387 /nfs/dbraw/zinc/44/53/87/636445387.db2.gz PNJHYEIGBXXYCS-AAEUAGOBSA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C)no2)[C@H]1C ZINC000985959421 636456495 /nfs/dbraw/zinc/45/64/95/636456495.db2.gz VEQDFJZKVBPOKS-WDEREUQCSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2coc(C)n2)[C@H]1C ZINC000986168499 636536813 /nfs/dbraw/zinc/53/68/13/636536813.db2.gz QPTTUUOMFYXULL-ONGXEEELSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(C)c2)[C@H]1C ZINC000986164764 636537984 /nfs/dbraw/zinc/53/79/84/636537984.db2.gz VXOMOMZIEGSJOP-WCQYABFASA-N 1 0 245.326 0.851 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ncn(C)n2)[C@@H]1C ZINC000986228252 636547869 /nfs/dbraw/zinc/54/78/69/636547869.db2.gz DNZKSLPVVOTJIO-ZJUUUORDSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc[nH]c2)[C@H]1C ZINC000986298823 636553567 /nfs/dbraw/zinc/55/35/67/636553567.db2.gz DDWYYUFHNKZKKW-CMPLNLGQSA-N 1 0 231.299 0.841 20 30 BCEDRO N#Cc1ccc(NCC[NH2+]Cc2cc[nH]n2)nc1 ZINC000897398731 636581057 /nfs/dbraw/zinc/58/10/57/636581057.db2.gz OGUUJZDLXBXKTP-UHFFFAOYSA-N 1 0 242.286 0.878 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]NC[C@@H](C)O ZINC000872378004 636584090 /nfs/dbraw/zinc/58/40/90/636584090.db2.gz QWINMAGRNHUNJD-MRVPVSSYSA-N 1 0 208.265 0.277 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1C ZINC000987069302 636622010 /nfs/dbraw/zinc/62/20/10/636622010.db2.gz PLYQIIPSSHUSCD-CMPLNLGQSA-N 1 0 248.330 0.717 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1C ZINC000987202430 636641806 /nfs/dbraw/zinc/64/18/06/636641806.db2.gz JVXDDFNMGMWJOU-UWVGGRQHSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccncn2)[C@@H]1C ZINC000987206761 636641862 /nfs/dbraw/zinc/64/18/62/636641862.db2.gz ZNWAFJBEGZUIGP-GHMZBOCLSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2ncc[nH]2)[C@@H]1C ZINC000987262017 636642891 /nfs/dbraw/zinc/64/28/91/636642891.db2.gz SWXCTBIRURHFIY-GHMZBOCLSA-N 1 0 246.314 0.164 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@@H]1C ZINC000987262020 636643373 /nfs/dbraw/zinc/64/33/73/636643373.db2.gz SWXCTBIRURHFIY-MNOVXSKESA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2ncc[nH]2)[C@H]1C ZINC000987262973 636644238 /nfs/dbraw/zinc/64/42/38/636644238.db2.gz XBWCWBZXSGQEBD-QWRGUYRKSA-N 1 0 248.330 0.717 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)[C@@H]1C ZINC000987317266 636647092 /nfs/dbraw/zinc/64/70/92/636647092.db2.gz GKVSICTVUVGWQZ-ZJUUUORDSA-N 1 0 249.318 0.112 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]1C ZINC000987525946 636653148 /nfs/dbraw/zinc/65/31/48/636653148.db2.gz PQFWMINXQSFAMH-MNOVXSKESA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2)[C@H]1C ZINC000987605221 636654371 /nfs/dbraw/zinc/65/43/71/636654371.db2.gz OTBFDOMUQKKPAP-NWDGAFQWSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC2CC2)C1 ZINC000987750546 636666628 /nfs/dbraw/zinc/66/66/28/636666628.db2.gz FOZOWSJEPLIAJN-ZYHUDNBSSA-N 1 0 220.316 0.999 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnn(C)c2)C1 ZINC000987980455 636674216 /nfs/dbraw/zinc/67/42/16/636674216.db2.gz DPVAPMVNYGZPDQ-ZYHUDNBSSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C)on2)C1 ZINC000987958322 636674586 /nfs/dbraw/zinc/67/45/86/636674586.db2.gz DEMSSOKFZGCAOX-GXSJLCMTSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cncs2)C1 ZINC000988257832 636684477 /nfs/dbraw/zinc/68/44/77/636684477.db2.gz LACUPDADEFVTFM-VHSXEESVSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cc[nH]n2)C1 ZINC000988435216 636711822 /nfs/dbraw/zinc/71/18/22/636711822.db2.gz HKWSJQOOFRRKKE-ZYHUDNBSSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cc[nH]n2)C1 ZINC000988442412 636712813 /nfs/dbraw/zinc/71/28/13/636712813.db2.gz YTARLYDOHOSRJE-PWSUYJOCSA-N 1 0 248.330 0.717 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cncnc2)C1 ZINC000988681052 636759296 /nfs/dbraw/zinc/75/92/96/636759296.db2.gz VIDLRCSDBUFPLM-JQWIXIFHSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[C@@H]1NC(=O)N(C[C@@H]2CCC[N@H+]2C)C1=O ZINC000925295087 636759828 /nfs/dbraw/zinc/75/98/28/636759828.db2.gz WKDSQRSJUWLDQT-UWVGGRQHSA-N 1 0 235.287 0.024 20 30 BCEDRO C#CC[C@@H]1NC(=O)N(C[C@H]2CCC[N@H+]2C)C1=O ZINC000925295093 636759947 /nfs/dbraw/zinc/75/99/47/636759947.db2.gz WKDSQRSJUWLDQT-ZJUUUORDSA-N 1 0 235.287 0.024 20 30 BCEDRO C#CCOCCNC(=[NH2+])N1CC[C@H](CC)C1 ZINC000864463104 636779461 /nfs/dbraw/zinc/77/94/61/636779461.db2.gz RTIZZZGZRCUKRA-NSHDSACASA-N 1 0 223.320 0.892 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cn(C)nn2)C1 ZINC000988779502 636786227 /nfs/dbraw/zinc/78/62/27/636786227.db2.gz UQHQUHYBDMHTJL-NXEZZACHSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ncc[nH]2)C1 ZINC000988803775 636787104 /nfs/dbraw/zinc/78/71/04/636787104.db2.gz OUTMEGQBNGKDRN-NXEZZACHSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cc[nH]c2)C1 ZINC000988859198 636790482 /nfs/dbraw/zinc/79/04/82/636790482.db2.gz HBZVMKYZRFBDAR-JQWIXIFHSA-N 1 0 231.299 0.841 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccns2)C1 ZINC000988912650 636791044 /nfs/dbraw/zinc/79/10/44/636791044.db2.gz PWMINSITLDZFNB-VHSXEESVSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CCCN1CCN(C(=O)[C@H]2CC[N@@H+](C)C2)CC1 ZINC000729527555 636817003 /nfs/dbraw/zinc/81/70/03/636817003.db2.gz PVVMPMALCZKBFJ-ZDUSSCGKSA-N 1 0 249.358 0.106 20 30 BCEDRO C=C(C)C[C@@H]1NC(=O)N(C[C@H](C)[NH+](C)C)C1=O ZINC000925318270 636833778 /nfs/dbraw/zinc/83/37/78/636833778.db2.gz GEQAFZXFXKFAQN-UWVGGRQHSA-N 1 0 239.319 0.823 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2nc(C)c[nH]2)C1 ZINC000989541289 636861364 /nfs/dbraw/zinc/86/13/64/636861364.db2.gz WSABINZUVDFALA-QWRGUYRKSA-N 1 0 246.314 0.544 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC000989572988 636863260 /nfs/dbraw/zinc/86/32/60/636863260.db2.gz PEPVMQBDMQOTLL-VHSXEESVSA-N 1 0 249.318 0.573 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnon2)C1 ZINC000989575340 636863827 /nfs/dbraw/zinc/86/38/27/636863827.db2.gz JBDURZRVTNFRPC-IUCAKERBSA-N 1 0 236.275 0.448 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2nccs2)C1 ZINC000989587530 636865309 /nfs/dbraw/zinc/86/53/09/636865309.db2.gz BKVSLWDVQKKGMX-VHSXEESVSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2nccs2)C1 ZINC000989587523 636865484 /nfs/dbraw/zinc/86/54/84/636865484.db2.gz BKVSLWDVQKKGMX-NXEZZACHSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2oncc2C)C1 ZINC000989631941 636868589 /nfs/dbraw/zinc/86/85/89/636868589.db2.gz NQZYQXILMOGZOD-QWRGUYRKSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CCN1CCCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000989661896 636870030 /nfs/dbraw/zinc/87/00/30/636870030.db2.gz NOLNFYCHNHJPML-CYBMUJFWSA-N 1 0 249.358 0.106 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn(C)n2)C1 ZINC000989794636 636881315 /nfs/dbraw/zinc/88/13/15/636881315.db2.gz ZPZCGIWYDCBNBZ-QWRGUYRKSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2ccc[nH]2)C1 ZINC000989816535 636881873 /nfs/dbraw/zinc/88/18/73/636881873.db2.gz NTRGGLAJKXSNGV-DGCLKSJQSA-N 1 0 245.326 0.769 20 30 BCEDRO C#CC[N@@H+]1CC[C@]2(NC(C)=O)CCC[C@@H]12 ZINC000989870736 636888532 /nfs/dbraw/zinc/88/85/32/636888532.db2.gz NZXZKEOSCZLFMF-VXGBXAGGSA-N 1 0 206.289 0.753 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cnccn2)CC1 ZINC000989876908 636888197 /nfs/dbraw/zinc/88/81/97/636888197.db2.gz JAZMEZSWIKBQOW-UHFFFAOYSA-N 1 0 244.298 0.304 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cc(C)on2)CC1 ZINC000989908497 636895953 /nfs/dbraw/zinc/89/59/53/636895953.db2.gz FNHQFBRRFZMNPJ-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000989912839 636897749 /nfs/dbraw/zinc/89/77/49/636897749.db2.gz VGOOXKWBKIXPLO-LBPRGKRZSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H]2CCOC2)CC1 ZINC000990126590 636919305 /nfs/dbraw/zinc/91/93/05/636919305.db2.gz DHHDFAZCNRQHFF-LLVKDONJSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCCNC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000924656138 636976165 /nfs/dbraw/zinc/97/61/65/636976165.db2.gz YUSJHIRVPZYHEF-UHFFFAOYSA-N 1 0 246.314 0.970 20 30 BCEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927035787 637008593 /nfs/dbraw/zinc/00/85/93/637008593.db2.gz XRDOYZQYHDEVTD-WDEREUQCSA-N 1 0 249.376 0.726 20 30 BCEDRO C#CCSCC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000898978897 637068975 /nfs/dbraw/zinc/06/89/75/637068975.db2.gz ZSFFVTSDBOSELD-LLVKDONJSA-N 1 0 240.372 0.953 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@H](C)O ZINC000900932938 637216236 /nfs/dbraw/zinc/21/62/36/637216236.db2.gz VTSSMQUVETYYBA-JTQLQIEISA-N 1 0 214.309 0.334 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1nc(C)c(C)[nH]1 ZINC000900999619 637225363 /nfs/dbraw/zinc/22/53/63/637225363.db2.gz HRTHIRONSSIVGZ-UHFFFAOYSA-N 1 0 236.319 0.761 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)c2cn(C)nn2)C1 ZINC000903092854 637343175 /nfs/dbraw/zinc/34/31/75/637343175.db2.gz DSJJRENXAKRDAW-RYUDHWBXSA-N 1 0 247.346 0.563 20 30 BCEDRO C#CCNC(=O)N1CCCC[C@H]1C[NH2+]C ZINC000905004446 637541197 /nfs/dbraw/zinc/54/11/97/637541197.db2.gz LBZFBNNGEILJJL-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@H](O)C2(O)CCC2)c1 ZINC000905037810 637557244 /nfs/dbraw/zinc/55/72/44/637557244.db2.gz MNENONMFKXYODM-ZDUSSCGKSA-N 1 0 246.310 0.924 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Nc1nncs1 ZINC000905154012 637636739 /nfs/dbraw/zinc/63/67/39/637636739.db2.gz VFVGQSQYCWSMMP-UHFFFAOYSA-N 1 0 239.304 0.225 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Nc1nccs1 ZINC000905152672 637637383 /nfs/dbraw/zinc/63/73/83/637637383.db2.gz FIDHJXDDLJAHSH-UHFFFAOYSA-N 1 0 238.316 0.830 20 30 BCEDRO N#CC1(C[NH2+]C[C@H](O)C2(O)CCC2)CC1 ZINC000905244367 637703311 /nfs/dbraw/zinc/70/33/11/637703311.db2.gz QFYFJVACVSGCQY-VIFPVBQESA-N 1 0 210.277 0.156 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905243545 637704050 /nfs/dbraw/zinc/70/40/50/637704050.db2.gz JZWNTCCTAQOCSW-NXEZZACHSA-N 1 0 214.265 0.834 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)C1(O)CCOCC1)C(C)C ZINC000905245052 637705547 /nfs/dbraw/zinc/70/55/47/637705547.db2.gz TXXZVSHDJHNJKA-VXGBXAGGSA-N 1 0 241.331 0.136 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@H](O)C2(O)CCC2)nc1 ZINC000905261740 637715867 /nfs/dbraw/zinc/71/58/67/637715867.db2.gz JYXZXEDMHIIGHY-LBPRGKRZSA-N 1 0 247.298 0.319 20 30 BCEDRO C=CC(C)(C)C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905272797 637732309 /nfs/dbraw/zinc/73/23/09/637732309.db2.gz KTJPKJZKGXLIDQ-LLVKDONJSA-N 1 0 243.347 0.691 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1C ZINC001074554450 711443466 /nfs/dbraw/zinc/44/34/66/711443466.db2.gz KBOBCBODJAFXRE-SRVKXCTJSA-N 1 0 236.315 0.235 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905355186 637773895 /nfs/dbraw/zinc/77/38/95/637773895.db2.gz UICFXBNOKZYRRV-QWRGUYRKSA-N 1 0 229.320 0.179 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905359687 637779404 /nfs/dbraw/zinc/77/94/04/637779404.db2.gz VPAISILYBZPQRK-RYUDHWBXSA-N 1 0 241.331 0.016 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905359742 637779603 /nfs/dbraw/zinc/77/96/03/637779603.db2.gz WFENCMYBQXQARF-GFCCVEGCSA-N 1 0 241.331 0.018 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)C[C@@H](O)c1ccccc1 ZINC000905365236 637787801 /nfs/dbraw/zinc/78/78/01/637787801.db2.gz HVKDRIVMGRNJOK-MGPQQGTHSA-N 1 0 249.310 0.055 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@](C)(O)C(F)F ZINC000905364920 637788435 /nfs/dbraw/zinc/78/84/35/637788435.db2.gz HGJMRRNLASQMDV-WCBMZHEXSA-N 1 0 223.263 0.777 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905365966 637790128 /nfs/dbraw/zinc/79/01/28/637790128.db2.gz LOFWKZOFYHATJC-QWHCGFSZSA-N 1 0 219.284 0.612 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000905452690 637809673 /nfs/dbraw/zinc/80/96/73/637809673.db2.gz OCYPPIWLEDXEOY-SFYZADRCSA-N 1 0 227.226 0.826 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000905449137 637810327 /nfs/dbraw/zinc/81/03/27/637810327.db2.gz CTYIBORUTIKZLX-DGCLKSJQSA-N 1 0 242.363 0.358 20 30 BCEDRO CCN1CC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000905439378 637814083 /nfs/dbraw/zinc/81/40/83/637814083.db2.gz BZJLLZJLIMLABP-NEPJUHHUSA-N 1 0 237.347 0.725 20 30 BCEDRO Cc1nn(C)c(C=NNC2=[NH+]CCN2)c1Cl ZINC000905478710 637819660 /nfs/dbraw/zinc/81/96/60/637819660.db2.gz LYLFPRQSFPLGAF-UHFFFAOYSA-N 1 0 240.698 0.265 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]CCS(=O)(=O)CC ZINC000905455166 637820798 /nfs/dbraw/zinc/82/07/98/637820798.db2.gz WJWOQEDMYNDYFR-JTQLQIEISA-N 1 0 235.349 0.338 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000905455227 637820856 /nfs/dbraw/zinc/82/08/56/637820856.db2.gz XNDLYVDNQVCMJM-VXGBXAGGSA-N 1 0 231.336 0.689 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C[C@H](O)COCC)C1 ZINC000905459123 637823376 /nfs/dbraw/zinc/82/33/76/637823376.db2.gz FDCPRIMNYRGLTO-OLZOCXBDSA-N 1 0 240.347 0.071 20 30 BCEDRO CCCn1cc(C(C)=NNC2=[NH+]C[C@H](C)N2)nn1 ZINC000905461949 637824151 /nfs/dbraw/zinc/82/41/51/637824151.db2.gz XYKKAQBFJDYPBN-QMMMGPOBSA-N 1 0 249.322 0.349 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905461705 637825027 /nfs/dbraw/zinc/82/50/27/637825027.db2.gz RGKPCTNFBLYXDT-PWSUYJOCSA-N 1 0 246.301 0.690 20 30 BCEDRO COC(=O)[C@@H](F)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000905488199 637833828 /nfs/dbraw/zinc/83/38/28/637833828.db2.gz CBGSDAXCUNKBOS-IUCAKERBSA-N 1 0 244.266 0.142 20 30 BCEDRO CN1CC[C@@H]1C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000905547428 637839914 /nfs/dbraw/zinc/83/99/14/637839914.db2.gz WXISRWDWCWRNSA-MNOVXSKESA-N 1 0 223.320 0.335 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000668463804 637845221 /nfs/dbraw/zinc/84/52/21/637845221.db2.gz ZDCIEWJNSFGIRM-JQWIXIFHSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1cc(C)n(C)n1 ZINC000905561072 637847760 /nfs/dbraw/zinc/84/77/60/637847760.db2.gz PVXIJTNXRDYVED-UHFFFAOYSA-N 1 0 248.330 0.000 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCS[C@@H](C)C1 ZINC000905604222 637852458 /nfs/dbraw/zinc/85/24/58/637852458.db2.gz CNDDGAROGTUJKG-WDEREUQCSA-N 1 0 240.372 1.000 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H](CO)C2)cc1 ZINC000905640115 637878849 /nfs/dbraw/zinc/87/88/49/637878849.db2.gz OYZNZJYZGVFWMX-MRVWCRGKSA-N 1 0 246.310 0.952 20 30 BCEDRO C#CCN(CN1CC(=O)N(CC)C1=O)C(C)C ZINC000905747806 637897580 /nfs/dbraw/zinc/89/75/80/637897580.db2.gz CRLCSXFOOIBOIF-UHFFFAOYSA-N 1 0 237.303 0.572 20 30 BCEDRO C=CC[NH+](CC=C)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905870696 637956473 /nfs/dbraw/zinc/95/64/73/637956473.db2.gz RTLZRCMDSFAFRO-STQMWFEESA-N 1 0 241.331 0.563 20 30 BCEDRO C=CC[NH+](CC=C)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905870694 637957277 /nfs/dbraw/zinc/95/72/77/637957277.db2.gz RTLZRCMDSFAFRO-QWHCGFSZSA-N 1 0 241.331 0.563 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)CCC1(O)CCC1 ZINC000905926909 637977525 /nfs/dbraw/zinc/97/75/25/637977525.db2.gz XHTHYZDZPDWSLW-LBPRGKRZSA-N 1 0 225.332 0.998 20 30 BCEDRO N#CCC1CN(C[C@H](O)CC2(O)CCCC2)C1 ZINC000905964032 637984190 /nfs/dbraw/zinc/98/41/90/637984190.db2.gz XJCSAVJXQZFJNB-GFCCVEGCSA-N 1 0 238.331 0.888 20 30 BCEDRO C=C(Cl)CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906743807 638236619 /nfs/dbraw/zinc/23/66/19/638236619.db2.gz YJIAZQIDOUIECV-UHFFFAOYSA-N 1 0 245.754 0.349 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[C@@H](C)O ZINC000907312053 638337771 /nfs/dbraw/zinc/33/77/71/638337771.db2.gz HJWVPKGPLBEYPA-WDEREUQCSA-N 1 0 228.336 0.770 20 30 BCEDRO C#C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CCCO1 ZINC000907489014 638390159 /nfs/dbraw/zinc/39/01/59/638390159.db2.gz VPFXDNAOXCLBOP-NWDGAFQWSA-N 1 0 248.326 0.379 20 30 BCEDRO C=C(C)CNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907520475 638402593 /nfs/dbraw/zinc/40/25/93/638402593.db2.gz DARYYCJZJNALCU-KOLCDFICSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCCC[C@@H]1O ZINC000907550388 638405350 /nfs/dbraw/zinc/40/53/50/638405350.db2.gz MZGCFLCGDKJTJZ-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](C)OC ZINC000907633822 638426480 /nfs/dbraw/zinc/42/64/80/638426480.db2.gz IBAGUGQVFYUPHK-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCCN(C)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907636460 638427609 /nfs/dbraw/zinc/42/76/09/638427609.db2.gz QAZVLSQLVJFYCU-CYBMUJFWSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(=O)N(CC)C1 ZINC000907719144 638457788 /nfs/dbraw/zinc/45/77/88/638457788.db2.gz UGZAJFNTVHPHRA-UHFFFAOYSA-N 1 0 239.319 0.143 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(O)(C(C)C)C1 ZINC000907759970 638462677 /nfs/dbraw/zinc/46/26/77/638462677.db2.gz GNCLKPKDLYLBAX-UHFFFAOYSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCC[C@H](C)O ZINC000907834418 638483899 /nfs/dbraw/zinc/48/38/99/638483899.db2.gz YGXBFEOETHHTQC-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCCCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000907852009 638487438 /nfs/dbraw/zinc/48/74/38/638487438.db2.gz GZVCZWZIRMKSJL-CMPLNLGQSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)C(=C)CC[NH+](C)C ZINC000907978389 638534784 /nfs/dbraw/zinc/53/47/84/638534784.db2.gz QDZYQWSFBXBNKG-GFCCVEGCSA-N 1 0 238.331 0.385 20 30 BCEDRO CC(C)C#CC(=O)NC1CC([NH+](C)C)C1 ZINC000908013626 638548601 /nfs/dbraw/zinc/54/86/01/638548601.db2.gz WDQYECKMUDSXRC-UHFFFAOYSA-N 1 0 208.305 0.855 20 30 BCEDRO O=C(NCC#CCO)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908032569 638556475 /nfs/dbraw/zinc/55/64/75/638556475.db2.gz QCMJHOFCNNJMMC-RYUDHWBXSA-N 1 0 236.315 0.115 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@H](CO)C[NH+](C)C)cc1 ZINC000908201517 638608731 /nfs/dbraw/zinc/60/87/31/638608731.db2.gz PZWDJAOBNPMKPU-ZDUSSCGKSA-N 1 0 246.310 0.320 20 30 BCEDRO C[C@H](CC#N)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908208345 638611403 /nfs/dbraw/zinc/61/14/03/638611403.db2.gz PIVDWZANUWCCSD-MNOVXSKESA-N 1 0 239.319 0.109 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CF)C(=O)OC ZINC000908210802 638615175 /nfs/dbraw/zinc/61/51/75/638615175.db2.gz DOFXJHUTTRHHCX-SECBINFHSA-N 1 0 246.282 0.122 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@]1(C)CCOC1=O ZINC000908294164 638645509 /nfs/dbraw/zinc/64/55/09/638645509.db2.gz YWMXMDJPDIKJAW-GFCCVEGCSA-N 1 0 240.303 0.316 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CCC)CC(N)=O ZINC000908363833 638670018 /nfs/dbraw/zinc/67/00/18/638670018.db2.gz VRGTYMHDEQCITC-UHFFFAOYSA-N 1 0 241.335 0.218 20 30 BCEDRO C[NH+](C)CCn1nccc1C(=O)N1CC(C#N)C1 ZINC000908397366 638693774 /nfs/dbraw/zinc/69/37/74/638693774.db2.gz BYWGKCBKJNAIJE-UHFFFAOYSA-N 1 0 247.302 0.040 20 30 BCEDRO N#CC1CN(C(=O)[C@@H]2CC[C@@H]3CCCC[N@@H+]32)C1 ZINC000908398563 638694850 /nfs/dbraw/zinc/69/48/50/638694850.db2.gz HHZLNDYGBSZBER-RYUDHWBXSA-N 1 0 233.315 0.985 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1[C@@H]2CCC(=O)[C@@H]21 ZINC000908436785 638714188 /nfs/dbraw/zinc/71/41/88/638714188.db2.gz IAJLEYVGSIRNAO-RAIGVLPGSA-N 1 0 248.326 0.283 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC#CC ZINC000908449732 638719145 /nfs/dbraw/zinc/71/91/45/638719145.db2.gz BYHKYFZWJIIRND-UHFFFAOYSA-N 1 0 208.305 0.976 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCn2ccnc21 ZINC000908519814 638755105 /nfs/dbraw/zinc/75/51/05/638755105.db2.gz KKMBQXPNWFGNPO-LLVKDONJSA-N 1 0 248.330 0.952 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000908618319 639036273 /nfs/dbraw/zinc/03/62/73/639036273.db2.gz LVHBUEVJIWLBBF-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO C#C[C@H](CO)NC(=O)C(C)(C)[NH+]1CCCCC1 ZINC000908620726 639038383 /nfs/dbraw/zinc/03/83/83/639038383.db2.gz RWYFRVKYKMQFJY-LLVKDONJSA-N 1 0 238.331 0.361 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](O)[C@H]1C ZINC000908697509 639048257 /nfs/dbraw/zinc/04/82/57/639048257.db2.gz RDEDSLGBGJIQMV-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C12CC[NH+](CC1)C2 ZINC000908995136 639116197 /nfs/dbraw/zinc/11/61/97/639116197.db2.gz YFIYNPDAXJCTGI-MNOVXSKESA-N 1 0 236.315 0.542 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C1CC[NH+](C)CC1 ZINC000908996382 639117955 /nfs/dbraw/zinc/11/79/55/639117955.db2.gz GJKNPWNOBJSTMH-NEPJUHHUSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1C(=O)N1CC=CC1 ZINC000910008112 639320705 /nfs/dbraw/zinc/32/07/05/639320705.db2.gz ZXGLNCQPIBGTOX-NSHDSACASA-N 1 0 204.273 0.482 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1cnn(COC)c1 ZINC000910630939 639493141 /nfs/dbraw/zinc/49/31/41/639493141.db2.gz PVHWPEHTQYSJNW-UHFFFAOYSA-N 1 0 238.291 0.543 20 30 BCEDRO C[N@H+](CC(=O)Nc1n[nH]cc1C#N)C1CCC1 ZINC000910945269 639550325 /nfs/dbraw/zinc/55/03/25/639550325.db2.gz TYVPODBCSGFYCL-UHFFFAOYSA-N 1 0 233.275 0.704 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1nccc(C)n1 ZINC000911003199 639562499 /nfs/dbraw/zinc/56/24/99/639562499.db2.gz BPABHYMMWROCNQ-UHFFFAOYSA-N 1 0 234.303 0.519 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000930218591 639640441 /nfs/dbraw/zinc/64/04/41/639640441.db2.gz ATZSDBODIRVUBY-MFKMUULPSA-N 1 0 246.310 0.879 20 30 BCEDRO C[C@@H](CO)[N@H+](C[C@H](O)CC#N)CC1CCC1 ZINC000930291552 639683333 /nfs/dbraw/zinc/68/33/33/639683333.db2.gz BTXUMRCTQIMJNP-CMPLNLGQSA-N 1 0 226.320 0.744 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC1CC[NH2+]CC1 ZINC000911672291 639698557 /nfs/dbraw/zinc/69/85/57/639698557.db2.gz KQZOKIMYJAUSBW-NSHDSACASA-N 1 0 212.293 0.039 20 30 BCEDRO Cc1ccc(C#N)cc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000911698457 639733099 /nfs/dbraw/zinc/73/30/99/639733099.db2.gz IJEXGHLTTMMCAQ-NSHDSACASA-N 1 0 229.283 0.958 20 30 BCEDRO C[C@@H]1CSC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000930455255 639757767 /nfs/dbraw/zinc/75/77/67/639757767.db2.gz JKPYDSQMRMLFLL-IWSPIJDZSA-N 1 0 200.307 0.602 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911704554 639758627 /nfs/dbraw/zinc/75/86/27/639758627.db2.gz UUUHDVWFTSDXER-ONGXEEELSA-N 1 0 212.293 0.039 20 30 BCEDRO C[C@H]1CSC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000930455256 639758641 /nfs/dbraw/zinc/75/86/41/639758641.db2.gz JKPYDSQMRMLFLL-YIZRAAEISA-N 1 0 200.307 0.602 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911736021 639761615 /nfs/dbraw/zinc/76/16/15/639761615.db2.gz GCNRQJNEZZFSIQ-MWLCHTKSSA-N 1 0 212.293 0.134 20 30 BCEDRO CCOC1CC([N@H+](C)C[C@H](O)CC#N)C1 ZINC000930487127 639778068 /nfs/dbraw/zinc/77/80/68/639778068.db2.gz DHWZSHFVGCZTJA-HSOILSAZSA-N 1 0 212.293 0.760 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911752784 639780999 /nfs/dbraw/zinc/78/09/99/639780999.db2.gz GMYHDFCGRCYBPW-CABZTGNLSA-N 1 0 226.320 0.509 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911764685 639791025 /nfs/dbraw/zinc/79/10/25/639791025.db2.gz OHZDKYKMSGQSCL-DGCLKSJQSA-N 1 0 234.299 0.740 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000911764687 639791660 /nfs/dbraw/zinc/79/16/60/639791660.db2.gz OHZDKYKMSGQSCL-WCQYABFASA-N 1 0 234.299 0.740 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911767651 639794271 /nfs/dbraw/zinc/79/42/71/639794271.db2.gz MLJCOPFMFHLOOM-GXSJLCMTSA-N 1 0 212.293 0.039 20 30 BCEDRO CC(C)(CO)[C@@H]([NH2+]C[C@H](O)CC#N)C1CC1 ZINC000930585829 639814228 /nfs/dbraw/zinc/81/42/28/639814228.db2.gz KRHBWQOJIWKHAE-MNOVXSKESA-N 1 0 226.320 0.648 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000930602053 639815736 /nfs/dbraw/zinc/81/57/36/639815736.db2.gz XXQUVUACVPJJSJ-NEPJUHHUSA-N 1 0 241.331 0.280 20 30 BCEDRO CS[C@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000930610463 639820745 /nfs/dbraw/zinc/82/07/45/639820745.db2.gz PUTZOBVADOUDFI-BDAKNGLRSA-N 1 0 200.307 0.698 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCC[C@@H]1O ZINC000930622505 639826165 /nfs/dbraw/zinc/82/61/65/639826165.db2.gz GZQXKJDMCXLAFT-XQHKEYJVSA-N 1 0 238.331 0.886 20 30 BCEDRO N#CC1(CCCC[NH2+]C(CO)CO)CCC1 ZINC000930625388 639828956 /nfs/dbraw/zinc/82/89/56/639828956.db2.gz MHMWGSHYZILYLZ-UHFFFAOYSA-N 1 0 226.320 0.793 20 30 BCEDRO CO[C@H]1C[C@@H]([NH2+]C[C@H](O)CC#N)C1(C)C ZINC000930628166 639830119 /nfs/dbraw/zinc/83/01/19/639830119.db2.gz LQMSRBJRWQVRMF-BBBLOLIVSA-N 1 0 212.293 0.664 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C1(O)CCC1 ZINC000930637668 639835540 /nfs/dbraw/zinc/83/55/40/639835540.db2.gz FDKNCLKDLFMIFK-VWYCJHECSA-N 1 0 227.304 0.195 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@H]([C@@H](CO)C1CC1)C1CC1 ZINC000930639796 639837488 /nfs/dbraw/zinc/83/74/88/639837488.db2.gz MQUAAJFXKNGNHT-AGIUHOORSA-N 1 0 238.331 0.648 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000930639153 639838177 /nfs/dbraw/zinc/83/81/77/639838177.db2.gz LJRWKIJJVCLGMR-IEECTRCBSA-N 1 0 239.315 0.723 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)CC(C)(C)C[NH3+] ZINC000911863818 639851447 /nfs/dbraw/zinc/85/14/47/639851447.db2.gz DJJWNOZCTCTSFU-NSHDSACASA-N 1 0 214.309 0.367 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+]Cc1cncc(C#N)c1 ZINC000930703483 639869205 /nfs/dbraw/zinc/86/92/05/639869205.db2.gz ANFAUUQUPFMMFS-NWDGAFQWSA-N 1 0 233.271 0.457 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NCCOC ZINC000911891535 639869642 /nfs/dbraw/zinc/86/96/42/639869642.db2.gz JKYJMAZGMJZSGC-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NCCCOC ZINC000911923463 639881484 /nfs/dbraw/zinc/88/14/84/639881484.db2.gz MNVGUCUDTBFMKX-JTQLQIEISA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCNC(=O)CCSCCC[NH3+] ZINC000911925844 639883019 /nfs/dbraw/zinc/88/30/19/639883019.db2.gz ITVMDRBXXHYKPP-UHFFFAOYSA-N 1 0 202.323 0.761 20 30 BCEDRO C[C@H]1[C@@H](CO)CCC[N@@H+]1C[C@H](O)CC#N ZINC000930738645 639887218 /nfs/dbraw/zinc/88/72/18/639887218.db2.gz IULYXKFEJZCNBG-HBNTYKKESA-N 1 0 212.293 0.354 20 30 BCEDRO N#Cc1cc(N2CCC([NH3+])(CO)CC2)ccn1 ZINC000911912115 639890944 /nfs/dbraw/zinc/89/09/44/639890944.db2.gz ZITHUOBOYKBXQG-UHFFFAOYSA-N 1 0 232.287 0.243 20 30 BCEDRO COCCCC[N@H+](C)C[C@H](O)CC#N ZINC000930745701 639892082 /nfs/dbraw/zinc/89/20/82/639892082.db2.gz HMGLBTGBQGWPQX-SNVBAGLBSA-N 1 0 200.282 0.619 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCCCC[C@H]1CO ZINC000911950775 639894815 /nfs/dbraw/zinc/89/48/15/639894815.db2.gz MDEYNIIVDJRCDL-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO CN(C[C@H](O)CC#N)C[C@@H]1CCC[N@@H+]1C ZINC000930753547 639897512 /nfs/dbraw/zinc/89/75/12/639897512.db2.gz GOEYPQLNWHYKEL-WDEREUQCSA-N 1 0 211.309 0.287 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](C[C@H](O)C2(O)CCC2)C1 ZINC000930815256 639917132 /nfs/dbraw/zinc/91/71/32/639917132.db2.gz BPXTVVYKCSKRAZ-STQMWFEESA-N 1 0 237.343 0.998 20 30 BCEDRO C#CC1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000930820934 639921200 /nfs/dbraw/zinc/92/12/00/639921200.db2.gz IKJPIBDIFFSOFA-GFCCVEGCSA-N 1 0 223.316 0.608 20 30 BCEDRO CC[C@H](CO)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000930828335 639931771 /nfs/dbraw/zinc/93/17/71/639931771.db2.gz JUZABARFYPWSKD-IJLUTSLNSA-N 1 0 225.336 0.675 20 30 BCEDRO CCC[C@H](C)[C@H](CO)[NH2+]C[C@H](O)CC#N ZINC000930849004 639944186 /nfs/dbraw/zinc/94/41/86/639944186.db2.gz OCVHRJZGVNEBDE-AXFHLTTASA-N 1 0 214.309 0.648 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NCC(=O)NC(C)C ZINC000912100656 639956651 /nfs/dbraw/zinc/95/66/51/639956651.db2.gz APORDMLLUOQSEB-JTQLQIEISA-N 1 0 241.335 0.311 20 30 BCEDRO CCOCCOCC[NH2+][C@@H](C)CC#N ZINC000930867615 639958923 /nfs/dbraw/zinc/95/89/23/639958923.db2.gz LEOLNLYZXADZPH-JTQLQIEISA-N 1 0 200.282 0.931 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@]2(CC2(F)F)C1 ZINC000930868141 639960680 /nfs/dbraw/zinc/96/06/80/639960680.db2.gz VDOOITWSBMHUTD-BDAKNGLRSA-N 1 0 216.231 0.992 20 30 BCEDRO CC[N@H+]1[C@H](C)CN(C[C@H](O)CC#N)C[C@@H]1C ZINC000930882577 639967070 /nfs/dbraw/zinc/96/70/70/639967070.db2.gz HWSMSYPFKWNURD-GRYCIOLGSA-N 1 0 225.336 0.675 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000930886612 639972422 /nfs/dbraw/zinc/97/24/22/639972422.db2.gz UUKDWJHFNPYGDB-QWRGUYRKSA-N 1 0 222.288 0.494 20 30 BCEDRO COCC#CC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C ZINC000930909865 639981886 /nfs/dbraw/zinc/98/18/86/639981886.db2.gz TXRDTDPFMGJGRW-WOPDTQHZSA-N 1 0 238.331 0.611 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCO[C@@H](C)C1 ZINC000912168736 639986565 /nfs/dbraw/zinc/98/65/65/639986565.db2.gz LEYRVKDZKAAHEZ-QWRGUYRKSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)N1CCO[C@H](C)C1 ZINC000912168734 639986821 /nfs/dbraw/zinc/98/68/21/639986821.db2.gz LEYRVKDZKAAHEZ-MNOVXSKESA-N 1 0 226.320 0.917 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+](CCOCCO)C1CCC1 ZINC000930921716 639989605 /nfs/dbraw/zinc/98/96/05/639989605.db2.gz JOAWKYHAFGIJFW-GFCCVEGCSA-N 1 0 242.319 0.124 20 30 BCEDRO C=CC[N@H+](C[C@H](O)CC#N)[C@@H](C)COC ZINC000930931571 639993350 /nfs/dbraw/zinc/99/33/50/639993350.db2.gz ZDPZAZKDARFLQN-WDEREUQCSA-N 1 0 212.293 0.784 20 30 BCEDRO C#CCN(C(=O)C[NH+]1CCCC1)C1CSC1 ZINC000912366359 640040713 /nfs/dbraw/zinc/04/07/13/640040713.db2.gz RCPHBWCBYBRXDA-UHFFFAOYSA-N 1 0 238.356 0.659 20 30 BCEDRO CC1(C)CC[C@H](CO)[N@H+](C[C@H](O)CC#N)C1 ZINC000931104752 640066604 /nfs/dbraw/zinc/06/66/04/640066604.db2.gz UJLKVKNVPVPDOP-GHMZBOCLSA-N 1 0 226.320 0.744 20 30 BCEDRO CC1(C)CC[C@@H](CO)[N@H+](C[C@H](O)CC#N)C1 ZINC000931104753 640067575 /nfs/dbraw/zinc/06/75/75/640067575.db2.gz UJLKVKNVPVPDOP-WDEREUQCSA-N 1 0 226.320 0.744 20 30 BCEDRO C#CC1(O)CC[NH+](CC2(C(=O)OC)CC2)CC1 ZINC000931150396 640070567 /nfs/dbraw/zinc/07/05/67/640070567.db2.gz CNLJDGQWQPBZNX-UHFFFAOYSA-N 1 0 237.299 0.400 20 30 BCEDRO C#CC[NH2+]CC(=O)N1CCC[C@@H]1c1cc(C)on1 ZINC000912466995 640073372 /nfs/dbraw/zinc/07/33/72/640073372.db2.gz INIOUVHSHGWALP-GFCCVEGCSA-N 1 0 247.298 0.869 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1n[nH]nc1C ZINC000912468970 640074201 /nfs/dbraw/zinc/07/42/01/640074201.db2.gz IMLJLTAAYVUVCG-UHFFFAOYSA-N 1 0 209.253 0.169 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2cc(C)ncn2)CC1 ZINC000931149280 640077594 /nfs/dbraw/zinc/07/75/94/640077594.db2.gz GDCKMMDYDCBFDP-UHFFFAOYSA-N 1 0 231.299 0.745 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H](O)CCC=C)CC1 ZINC000931145352 640079027 /nfs/dbraw/zinc/07/90/27/640079027.db2.gz IGTLPVAMJVFPNL-LBPRGKRZSA-N 1 0 223.316 0.774 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NCc1ccnn1C ZINC000912474963 640088503 /nfs/dbraw/zinc/08/85/03/640088503.db2.gz DVZUSVJZGMBLSS-NSHDSACASA-N 1 0 236.319 0.720 20 30 BCEDRO CC[NH+]=C(NCc1ncn(C)n1)NC(C)(C)C ZINC000912499171 640095289 /nfs/dbraw/zinc/09/52/89/640095289.db2.gz NEQIMTPSDWPMIR-UHFFFAOYSA-N 1 0 238.339 0.669 20 30 BCEDRO CCC[NH+]=C(NCCC(=O)NC)NC(C)(C)C ZINC000912509476 640101609 /nfs/dbraw/zinc/10/16/09/640101609.db2.gz HMPKHVZDGPXPLG-UHFFFAOYSA-N 1 0 242.367 0.866 20 30 BCEDRO C#CCCC[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931231354 640106275 /nfs/dbraw/zinc/10/62/75/640106275.db2.gz RJVONMQONSOAED-NSHDSACASA-N 1 0 244.360 0.543 20 30 BCEDRO CC(C)C#CC(=O)N(C)CC[N@H+](C)CCO ZINC000912599739 640124204 /nfs/dbraw/zinc/12/42/04/640124204.db2.gz RPDWBJBMULJZEG-UHFFFAOYSA-N 1 0 226.320 0.028 20 30 BCEDRO C=CC[C@@H](C(=O)OC)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278312 640129069 /nfs/dbraw/zinc/12/90/69/640129069.db2.gz VVCMYJJHBIHBHW-WHOHXGKFSA-N 1 0 238.331 0.596 20 30 BCEDRO C[NH+](C)[C@@H]1C[C@@H](NC(=O)CC#N)C12CCC2 ZINC000912601076 640132234 /nfs/dbraw/zinc/13/22/34/640132234.db2.gz PALDLVNFJGOIBG-NXEZZACHSA-N 1 0 221.304 0.889 20 30 BCEDRO N#CCN1CCC([N@@H+]2CCCOCC2)CC1 ZINC000931289910 640136791 /nfs/dbraw/zinc/13/67/91/640136791.db2.gz FKIGEGPMOOEWFD-UHFFFAOYSA-N 1 0 223.320 0.697 20 30 BCEDRO COCC#CCN1C[C@]2(C)C[N@H+](C)C[C@]2(C)C1 ZINC000931311312 640147107 /nfs/dbraw/zinc/14/71/07/640147107.db2.gz LVAXHBSPHGOTFM-OKILXGFUSA-N 1 0 236.359 0.910 20 30 BCEDRO C[NH+](C)C1(C)CCN(CC(=O)NCC#N)CC1 ZINC000931351882 640168062 /nfs/dbraw/zinc/16/80/62/640168062.db2.gz XBGWXTMJTYHCBB-UHFFFAOYSA-N 1 0 238.335 0.042 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC2(COC2)C1 ZINC000912705538 640170588 /nfs/dbraw/zinc/17/05/88/640170588.db2.gz DPXUDDOOTNNHEX-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO CC1(C)[C@H]2[C@H](CCC[N@@H+]2C[C@H](O)CC#N)[C@@H]1O ZINC000931380159 640171732 /nfs/dbraw/zinc/17/17/32/640171732.db2.gz RIVDKINRAYATQS-KXNHARMFSA-N 1 0 238.331 0.742 20 30 BCEDRO COC(=O)[C@@]1(C)C[N@H+](C[C@H](O)CC#N)C[C@@H]1C ZINC000931381938 640172474 /nfs/dbraw/zinc/17/24/74/640172474.db2.gz JLQCUEIQPFXPLP-UMNHJUIQSA-N 1 0 240.303 0.392 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)n1ncc(C#N)c1N ZINC000912833027 640219291 /nfs/dbraw/zinc/21/92/91/640219291.db2.gz COLQLQWYXKXBDO-UHFFFAOYSA-N 1 0 233.275 0.485 20 30 BCEDRO Cc1[nH]nc(NC(=O)C23CC[NH+](CC2)C3)c1C#N ZINC000912833346 640220302 /nfs/dbraw/zinc/22/03/02/640220302.db2.gz NTCDGQNIUOYKNJ-UHFFFAOYSA-N 1 0 245.286 0.624 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912871870 640229002 /nfs/dbraw/zinc/22/90/02/640229002.db2.gz FREMIYZAZCODPV-LLVKDONJSA-N 1 0 224.304 0.230 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912913896 640240278 /nfs/dbraw/zinc/24/02/78/640240278.db2.gz QASHVDWMIFKPDX-GFCCVEGCSA-N 1 0 236.315 0.333 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912919460 640242950 /nfs/dbraw/zinc/24/29/50/640242950.db2.gz LLPJEVBUBXPLON-LBPRGKRZSA-N 1 0 238.331 0.886 20 30 BCEDRO CCN(CCC#N)C(=O)CN1CCn2ccnc21 ZINC000931525581 640256842 /nfs/dbraw/zinc/25/68/42/640256842.db2.gz GDFIPNYQRWROGT-UHFFFAOYSA-N 1 0 247.302 0.465 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCNC(=O)CC12CCC2 ZINC000931619990 640289248 /nfs/dbraw/zinc/28/92/48/640289248.db2.gz IODCJDZHQCUZQU-SNVBAGLBSA-N 1 0 237.303 0.006 20 30 BCEDRO C=C(Cl)CN1CCC(OC)(OC)[C@H](O)C1 ZINC000931631275 640297730 /nfs/dbraw/zinc/29/77/30/640297730.db2.gz HJEMZTRTSHPGEG-SECBINFHSA-N 1 0 235.711 0.795 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NCC(F)F)CC1 ZINC000931635220 640299641 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ZINC000931749856 640350781 /nfs/dbraw/zinc/35/07/81/640350781.db2.gz CIJXDGSIPYTHIA-MNOVXSKESA-N 1 0 229.320 0.131 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)NCC#CC[NH+](C)C)[C@H](C)O1 ZINC000913525120 640380173 /nfs/dbraw/zinc/38/01/73/640380173.db2.gz KRMJOIYVWRLJOP-WOPDTQHZSA-N 1 0 238.331 0.481 20 30 BCEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913525016 640380255 /nfs/dbraw/zinc/38/02/55/640380255.db2.gz HEMIZYYQDRETSV-XQHKEYJVSA-N 1 0 234.343 0.960 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C=C1CCC1 ZINC000913520014 640381744 /nfs/dbraw/zinc/38/17/44/640381744.db2.gz ZBGJFQUUHWQTOR-UHFFFAOYSA-N 1 0 206.289 0.778 20 30 BCEDRO CC[C@H](C)[C@H](O)C(=O)NCC#CC[NH+](C)C ZINC000913520644 640381905 /nfs/dbraw/zinc/38/19/05/640381905.db2.gz WCFRLKBXURTOSQ-QWRGUYRKSA-N 1 0 226.320 0.075 20 30 BCEDRO C[C@H]1C[C@H](C(=O)NCC#CC[NH+](C)C)CCO1 ZINC000913520145 640381930 /nfs/dbraw/zinc/38/19/30/640381930.db2.gz FNNOKUNCBLCYTC-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO 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CC(C)CCNC(=[NH2+])NCC(=O)NC(C)C ZINC000170908354 640937294 /nfs/dbraw/zinc/93/72/94/640937294.db2.gz OWZYJWAJCMHRFC-UHFFFAOYSA-N 1 0 228.340 0.461 20 30 BCEDRO CN(C)C(=[NH2+])NCCc1ccc2c(c1)OCO2 ZINC000170908483 640937299 /nfs/dbraw/zinc/93/72/99/640937299.db2.gz ZBUGTCITHHDWSA-UHFFFAOYSA-N 1 0 235.287 0.834 20 30 BCEDRO CCCNC(=[NH2+])NCCN1CCOCC1(C)C ZINC000170914917 640938019 /nfs/dbraw/zinc/93/80/19/640938019.db2.gz XODQTQYCNVLYNS-UHFFFAOYSA-N 1 0 242.367 0.412 20 30 BCEDRO CN(C)C(=[NH2+])NCCC(=O)NCc1ccccc1 ZINC000170913456 640938451 /nfs/dbraw/zinc/93/84/51/640938451.db2.gz XZRAJROQWRWZRB-UHFFFAOYSA-N 1 0 248.330 0.569 20 30 BCEDRO COCCCCNC(=[NH2+])N1CCOCC1 ZINC000170913779 640938607 /nfs/dbraw/zinc/93/86/07/640938607.db2.gz QXYVWLICMPFOTH-UHFFFAOYSA-N 1 0 215.297 0.060 20 30 BCEDRO C#CCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000229836028 640986333 /nfs/dbraw/zinc/98/63/33/640986333.db2.gz STLJZBQZXOLFRO-NSHDSACASA-N 1 0 207.277 0.247 20 30 BCEDRO COCC[N@H+](C)CCNc1ccnc(C#N)c1 ZINC000061812334 640998942 /nfs/dbraw/zinc/99/89/42/640998942.db2.gz YGZXZJKMBOTQBV-UHFFFAOYSA-N 1 0 234.303 0.943 20 30 BCEDRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccc(C#N)s1 ZINC000230369773 641051579 /nfs/dbraw/zinc/05/15/79/641051579.db2.gz DWYLXNRWAQUQSC-LURJTMIESA-N 1 0 245.329 0.245 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H](C)C(C)C ZINC000172549935 641071015 /nfs/dbraw/zinc/07/10/15/641071015.db2.gz XOBPJSDYKNMENP-VIFPVBQESA-N 1 0 201.314 0.829 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)CC(C)(C)O)CC1 ZINC000991916830 641075613 /nfs/dbraw/zinc/07/56/13/641075613.db2.gz ZZJCSWVWIDITDU-UHFFFAOYSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCCC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934223736 641105079 /nfs/dbraw/zinc/10/50/79/641105079.db2.gz YPHMUFPPZFJUSJ-LBPRGKRZSA-N 1 0 234.303 0.130 20 30 BCEDRO C[C@@H](Cc1cccnc1)[NH2+]C[C@H](O)CC#N ZINC000934231191 641108083 /nfs/dbraw/zinc/10/80/83/641108083.db2.gz NOMBXJOARBIKAF-CMPLNLGQSA-N 1 0 219.288 0.877 20 30 BCEDRO C[C@H](Cc1cccnc1)[NH2+]CC(=O)NCC#N ZINC000934235435 641109435 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642413728 /nfs/dbraw/zinc/41/37/28/642413728.db2.gz RRDHWKMYFLZTCR-TXEJJXNPSA-N 1 0 238.331 0.577 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cnnn2C)C1 ZINC001031643793 642433745 /nfs/dbraw/zinc/43/37/45/642433745.db2.gz DWPLHTRDYQMBDO-UHFFFAOYSA-N 1 0 249.318 0.053 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccnc(F)c2)C1 ZINC001021884622 642433861 /nfs/dbraw/zinc/43/38/61/642433861.db2.gz UOAZMUINCCZQCS-PHIMTYICSA-N 1 0 247.273 0.704 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001021886322 642434622 /nfs/dbraw/zinc/43/46/22/642434622.db2.gz VKIDSJHWIIHTRG-UTUOFQBUSA-N 1 0 238.331 0.836 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(CC)c2)C1 ZINC001021907440 642452613 /nfs/dbraw/zinc/45/26/13/642452613.db2.gz MRYKBNSZPKCHAJ-TXEJJXNPSA-N 1 0 246.314 0.387 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001021949068 642466170 /nfs/dbraw/zinc/46/61/70/642466170.db2.gz FOJYGVXRLPRXAS-PHIMTYICSA-N 1 0 245.282 0.271 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001021984133 642480243 /nfs/dbraw/zinc/48/02/43/642480243.db2.gz NJEYCYGQOGZBLL-PHIMTYICSA-N 1 0 244.298 0.923 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000930126892 642484043 /nfs/dbraw/zinc/48/40/43/642484043.db2.gz OXGHUUOPDPGDSH-NEPJUHHUSA-N 1 0 238.331 0.620 20 30 BCEDRO C#CCC1([NH2+]CCc2nnnn2C)CCC1 ZINC000933293088 642488576 /nfs/dbraw/zinc/48/85/76/642488576.db2.gz HQNHTRNABHTUEK-UHFFFAOYSA-N 1 0 219.292 0.288 20 30 BCEDRO C#CCC1([NH2+][C@H]2CCC(=O)NC2=O)CCC1 ZINC000933297176 642510167 /nfs/dbraw/zinc/51/01/67/642510167.db2.gz YTDMVVYTUWXYMD-VIFPVBQESA-N 1 0 220.272 0.327 20 30 BCEDRO C#CCC1([NH2+]C[C@H](O)CN(C)C2CC2)CCC1 ZINC000933297221 642510849 /nfs/dbraw/zinc/51/08/49/642510849.db2.gz ZRKNIVHGWCVUOP-ZDUSSCGKSA-N 1 0 236.359 0.977 20 30 BCEDRO CN(CCC#N)C(=O)C[N@H+](C)C1CCC1 ZINC000075841115 642554699 /nfs/dbraw/zinc/55/46/99/642554699.db2.gz NCABBYQYBXTUQY-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CC1 ZINC000960033433 642656347 /nfs/dbraw/zinc/65/63/47/642656347.db2.gz XPAVLSNFQLEPHC-GDNZZTSVSA-N 1 0 232.327 0.856 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c1 ZINC000960014890 642656972 /nfs/dbraw/zinc/65/69/72/642656972.db2.gz RJRKTRNGTOWNHM-GDNZZTSVSA-N 1 0 231.299 0.861 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1cncc(C)c1 ZINC000305624744 642669472 /nfs/dbraw/zinc/66/94/72/642669472.db2.gz BCPGSEPSVMGAIA-SNVBAGLBSA-N 1 0 236.319 0.829 20 30 BCEDRO C[NH+]=C(NCc1cnn(C)c1C)NC1CC1 ZINC000305722474 642680722 /nfs/dbraw/zinc/68/07/22/642680722.db2.gz WORXJHLYPCKYAW-UHFFFAOYSA-N 1 0 221.308 0.556 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC000961390586 642686627 /nfs/dbraw/zinc/68/66/27/642686627.db2.gz AKWDVMWBBZRLEH-IAZYJMLFSA-N 1 0 245.282 0.358 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C ZINC000961493744 642690601 /nfs/dbraw/zinc/69/06/01/642690601.db2.gz ZFILAJRWJKSJFL-KVSVUVNWSA-N 1 0 232.327 0.712 20 30 BCEDRO CCC(O)(CC)CNC(=[NH2+])N(C)C1CC1 ZINC000305808935 642701177 /nfs/dbraw/zinc/70/11/77/642701177.db2.gz HXKXPEAOJHWXSJ-UHFFFAOYSA-N 1 0 213.325 0.946 20 30 BCEDRO CC(C)CNC(=[NH2+])NCCC1(C)OCCO1 ZINC000305826469 642703958 /nfs/dbraw/zinc/70/39/58/642703958.db2.gz RFSWHVKQJGIHTE-UHFFFAOYSA-N 1 0 229.324 0.700 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])N1CCCCC1 ZINC000305846408 642709966 /nfs/dbraw/zinc/70/99/66/642709966.db2.gz SSFSCJRQFMVMOL-UHFFFAOYSA-N 1 0 224.308 0.089 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC1(OC)CCC1 ZINC000305887864 642711555 /nfs/dbraw/zinc/71/15/55/642711555.db2.gz ZEYMZQVUEJZAMU-VIFPVBQESA-N 1 0 229.324 0.495 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nc(C)c[nH]1 ZINC000961996661 642711653 /nfs/dbraw/zinc/71/16/53/642711653.db2.gz VQAODGVGJNRRJQ-URLYPYJESA-N 1 0 246.314 0.564 20 30 BCEDRO CNC(=O)[C@]1(C)CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000305952622 642712915 /nfs/dbraw/zinc/71/29/15/642712915.db2.gz AHKWJKJKLAZKSL-ZYHUDNBSSA-N 1 0 239.319 0.373 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccco1 ZINC000962099958 642715902 /nfs/dbraw/zinc/71/59/02/642715902.db2.gz CSXCUJQRWQTDHZ-IMRBUKKESA-N 1 0 244.294 0.502 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oncc1C ZINC000962193619 642723805 /nfs/dbraw/zinc/72/38/05/642723805.db2.gz SGILKOKJFCHPGK-URLYPYJESA-N 1 0 247.298 0.829 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nocc1C ZINC000962215811 642725098 /nfs/dbraw/zinc/72/50/98/642725098.db2.gz NKBXVJUNMPXBLU-IAZYJMLFSA-N 1 0 245.282 0.276 20 30 BCEDRO CC[C@H](CO)NC(=[NH2+])NCCc1ccccc1 ZINC000179567319 642725978 /nfs/dbraw/zinc/72/59/78/642725978.db2.gz ZIOJJGAZSBVUSJ-GFCCVEGCSA-N 1 0 235.331 0.904 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000966496396 642788314 /nfs/dbraw/zinc/78/83/14/642788314.db2.gz XLXLVCPQOJYEAF-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC000966726203 642791050 /nfs/dbraw/zinc/79/10/50/642791050.db2.gz HDNXKHXYQFRRQQ-SECBINFHSA-N 1 0 248.286 0.172 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cncnc2C)C1 ZINC000967375786 642798432 /nfs/dbraw/zinc/79/84/32/642798432.db2.gz HPMCXJHYNBZQOG-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO C#CCCCCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000180464991 642799520 /nfs/dbraw/zinc/79/95/20/642799520.db2.gz WOJUNPXJTCVMPV-CYBMUJFWSA-N 1 0 240.347 0.609 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000967276551 642799692 /nfs/dbraw/zinc/79/96/92/642799692.db2.gz HBANIWDFYFMNMX-SNVBAGLBSA-N 1 0 234.303 0.790 20 30 BCEDRO CCC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000967727000 642803005 /nfs/dbraw/zinc/80/30/05/642803005.db2.gz AHBQCULJGQTVKG-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C)n2)C1 ZINC000967895281 642804469 /nfs/dbraw/zinc/80/44/69/642804469.db2.gz JGOXHIXJCXXGFU-SNVBAGLBSA-N 1 0 232.287 0.155 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2ccoc2)C1 ZINC000968486020 642812202 /nfs/dbraw/zinc/81/22/02/642812202.db2.gz NBJAYAREUSTEOQ-GFCCVEGCSA-N 1 0 232.283 0.646 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000968535293 642812404 /nfs/dbraw/zinc/81/24/04/642812404.db2.gz ZPIMAQLTKMGTJM-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccnn2CC)C1 ZINC000968494653 642813070 /nfs/dbraw/zinc/81/30/70/642813070.db2.gz KKTBUDIFFBRBDA-LLVKDONJSA-N 1 0 246.314 0.340 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC000968571719 642814304 /nfs/dbraw/zinc/81/43/04/642814304.db2.gz BTZLSXNMFFFZLX-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC000968639233 642818292 /nfs/dbraw/zinc/81/82/92/642818292.db2.gz IEDGVADCVXATLF-GFCCVEGCSA-N 1 0 248.330 0.339 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC000968872110 642820117 /nfs/dbraw/zinc/82/01/17/642820117.db2.gz NPAIZTZHDOBUEV-GFCCVEGCSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C2CC(OC)C2)C1 ZINC000969023998 642820867 /nfs/dbraw/zinc/82/08/67/642820867.db2.gz YTYNZOYLJMIFGI-MOENNCHZSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC000968994333 642821807 /nfs/dbraw/zinc/82/18/07/642821807.db2.gz JWXRVVXEYFIRSR-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001006665624 642823687 /nfs/dbraw/zinc/82/36/87/642823687.db2.gz HCPPFEMAPSFPLA-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cnon2)C1 ZINC001008925858 642834749 /nfs/dbraw/zinc/83/47/49/642834749.db2.gz FWRSKDXFUSJPBA-SNVBAGLBSA-N 1 0 248.286 0.287 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CO[C@H](C)C2)C1 ZINC001031789225 642849425 /nfs/dbraw/zinc/84/94/25/642849425.db2.gz MLSUDSMOZHLBNX-ZYHUDNBSSA-N 1 0 238.331 0.645 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010040791 642849701 /nfs/dbraw/zinc/84/97/01/642849701.db2.gz ZFUAIFHNVZOCHQ-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCC1(CO)CCC1 ZINC000181501688 642878642 /nfs/dbraw/zinc/87/86/42/642878642.db2.gz HBSVYYDWCRYNDA-UHFFFAOYSA-N 1 0 213.325 0.852 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001010216183 642854110 /nfs/dbraw/zinc/85/41/10/642854110.db2.gz XGYWOAJMYNPOIZ-GFCCVEGCSA-N 1 0 248.330 0.650 20 30 BCEDRO C=C(C)C[N@@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC000181262032 642856320 /nfs/dbraw/zinc/85/63/20/642856320.db2.gz ITTXAXHHPLFZMG-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001010277583 642856622 /nfs/dbraw/zinc/85/66/22/642856622.db2.gz LSVLJYFEVKIGLP-JTQLQIEISA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@H]1C ZINC000939188236 642856673 /nfs/dbraw/zinc/85/66/73/642856673.db2.gz JDLSEYYOQATMLG-ZYHUDNBSSA-N 1 0 244.298 0.160 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)[C@H](C)n2cccn2)C1 ZINC001010285504 642857177 /nfs/dbraw/zinc/85/71/77/642857177.db2.gz KOWTWURUUPOZDE-RYUDHWBXSA-N 1 0 248.330 0.821 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010359321 642858941 /nfs/dbraw/zinc/85/89/41/642858941.db2.gz MUOUOEPJKHRYSM-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010344546 642859093 /nfs/dbraw/zinc/85/90/93/642859093.db2.gz NVSSQFAGXPAKJV-WDEREUQCSA-N 1 0 224.304 0.399 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cnn(CC)c2)C1 ZINC001010392260 642861523 /nfs/dbraw/zinc/86/15/23/642861523.db2.gz HUKVZALLUIRSLJ-GFCCVEGCSA-N 1 0 248.330 0.893 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)C2=COCCC2)C1 ZINC001010373532 642863450 /nfs/dbraw/zinc/86/34/50/642863450.db2.gz VPYAORZRFGIROJ-CYBMUJFWSA-N 1 0 248.326 0.895 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2ccon2)C1 ZINC001010405596 642863995 /nfs/dbraw/zinc/86/39/95/642863995.db2.gz VTXXOBJWXNZQHK-LBPRGKRZSA-N 1 0 247.298 0.431 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cccnn2)C[C@H]1C ZINC000939377389 642867004 /nfs/dbraw/zinc/86/70/04/642867004.db2.gz NLKTUANANLRBDJ-ZYHUDNBSSA-N 1 0 244.298 0.160 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC001010559421 642870014 /nfs/dbraw/zinc/87/00/14/642870014.db2.gz IQWSFFLALUYNFX-CYBMUJFWSA-N 1 0 245.326 0.853 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001010630987 642870567 /nfs/dbraw/zinc/87/05/67/642870567.db2.gz PUYRUVBGOPVAIU-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2coc(C)n2)C1 ZINC001010733914 642871508 /nfs/dbraw/zinc/87/15/08/642871508.db2.gz DWCZYIVMYRVDTC-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001010715912 642872323 /nfs/dbraw/zinc/87/23/23/642872323.db2.gz ASLCRWCDTBLPRC-CYBMUJFWSA-N 1 0 248.326 0.547 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2nccc(C)n2)C1 ZINC001010787702 642873713 /nfs/dbraw/zinc/87/37/13/642873713.db2.gz XNMCCSDBWXTAPE-NSHDSACASA-N 1 0 246.314 0.775 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2cnnn2C)C1 ZINC001010843847 642875843 /nfs/dbraw/zinc/87/58/43/642875843.db2.gz SQEPMUPSPWNKBQ-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001014495754 642889852 /nfs/dbraw/zinc/88/98/52/642889852.db2.gz QUYPMHZOQARBMJ-GVXVVHGQSA-N 1 0 236.315 0.399 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014577373 642890647 /nfs/dbraw/zinc/89/06/47/642890647.db2.gz XLBPZWDSJJKAQE-NSHDSACASA-N 1 0 249.318 0.045 20 30 BCEDRO C#CCN1CC[C@@H](NC(=O)c2c[nH]nc2CC)C1 ZINC001015060740 642895427 /nfs/dbraw/zinc/89/54/27/642895427.db2.gz STDMTCAJILSFCK-SNVBAGLBSA-N 1 0 246.314 0.409 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001015063216 642895571 /nfs/dbraw/zinc/89/55/71/642895571.db2.gz UNOPQICMSSFCHR-SECBINFHSA-N 1 0 235.291 0.185 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001015063469 642896636 /nfs/dbraw/zinc/89/66/36/642896636.db2.gz WCHLXWVWUDBCDP-VIFPVBQESA-N 1 0 235.291 0.185 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2nonc2C)C[C@@H]1C ZINC000939862324 642897491 /nfs/dbraw/zinc/89/74/91/642897491.db2.gz ZWRNYBGFTDGXPV-WPRPVWTQSA-N 1 0 248.286 0.061 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001015602878 642910950 /nfs/dbraw/zinc/91/09/50/642910950.db2.gz YKGJOKZTWYFFML-GFCCVEGCSA-N 1 0 249.314 0.984 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cn2nccc2C)C1 ZINC001015776737 642930647 /nfs/dbraw/zinc/93/06/47/642930647.db2.gz GAHAVMAORJGCBL-LBPRGKRZSA-N 1 0 248.330 0.568 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nocc2C)C1 ZINC001015950535 642940491 /nfs/dbraw/zinc/94/04/91/642940491.db2.gz DQXMDRFJEIKINH-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001016245294 642951674 /nfs/dbraw/zinc/95/16/74/642951674.db2.gz GJLDMVGBAQQWSC-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001016394694 642951953 /nfs/dbraw/zinc/95/19/53/642951953.db2.gz ROOYEQAAFJSXCO-GFCCVEGCSA-N 1 0 248.330 0.650 20 30 BCEDRO CC#CCN1CC[C@H](NC(=O)C[NH+]2CCCC2)C1 ZINC001016260774 642952000 /nfs/dbraw/zinc/95/20/00/642952000.db2.gz HLGNNJUZCYGJOM-ZDUSSCGKSA-N 1 0 249.358 0.296 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001016258233 642952189 /nfs/dbraw/zinc/95/21/89/642952189.db2.gz DOPBGRFWMUWFRY-GFCCVEGCSA-N 1 0 248.330 0.568 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001016247175 642953486 /nfs/dbraw/zinc/95/34/86/642953486.db2.gz TXSPFRGAVVPXDO-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001016313114 642956196 /nfs/dbraw/zinc/95/61/96/642956196.db2.gz DYIGDVCUXLIWRU-LBPRGKRZSA-N 1 0 231.299 0.381 20 30 BCEDRO C#CC[NH+]1CCC2(C[C@@H]2NC(C)=O)CC1 ZINC001016439668 642958177 /nfs/dbraw/zinc/95/81/77/642958177.db2.gz AYZHFSYNDWWAQD-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925337859 642959440 /nfs/dbraw/zinc/95/94/40/642959440.db2.gz YJDFOYKSPPBFEW-MNOVXSKESA-N 1 0 223.320 0.744 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001016425117 642959716 /nfs/dbraw/zinc/95/97/16/642959716.db2.gz QHRAZCHLMJXMEJ-JTQLQIEISA-N 1 0 234.303 0.708 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccco2)C1 ZINC001018419912 642989113 /nfs/dbraw/zinc/98/91/13/642989113.db2.gz FLWQHMVAOJXZHH-JTQLQIEISA-N 1 0 218.256 0.717 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2c[nH]nc2C)C1 ZINC001031888707 642992531 /nfs/dbraw/zinc/99/25/31/642992531.db2.gz MVOKEDZIIDWRKP-UHFFFAOYSA-N 1 0 234.303 0.566 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC001018490553 642993606 /nfs/dbraw/zinc/99/36/06/642993606.db2.gz QRWABUOCNYHCRR-JTQLQIEISA-N 1 0 217.272 0.452 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001018555074 642999800 /nfs/dbraw/zinc/99/98/00/642999800.db2.gz UWFYUQPECUZKDY-NSHDSACASA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001018578163 643000274 /nfs/dbraw/zinc/00/02/74/643000274.db2.gz DWRYAOQHTHTUKR-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C)n[nH]2)C1 ZINC001018571798 643001083 /nfs/dbraw/zinc/00/10/83/643001083.db2.gz FJPOWOCYGRNUPE-JTQLQIEISA-N 1 0 232.287 0.155 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cscn2)C1 ZINC001018611980 643002485 /nfs/dbraw/zinc/00/24/85/643002485.db2.gz FBRVZSMPFLNWPP-VIFPVBQESA-N 1 0 235.312 0.580 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001018632028 643003652 /nfs/dbraw/zinc/00/36/52/643003652.db2.gz LZTBNZBMNIHHJK-BDAKNGLRSA-N 1 0 213.256 0.306 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2n[nH]c(C)c2C)C1 ZINC001018644806 643004872 /nfs/dbraw/zinc/00/48/72/643004872.db2.gz RIBJNVOGQGDNDK-NSHDSACASA-N 1 0 246.314 0.464 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001018819397 643013720 /nfs/dbraw/zinc/01/37/20/643013720.db2.gz STTXOKTVCBATPC-VIFPVBQESA-N 1 0 220.276 0.400 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2cnc(C)o2)C1 ZINC001018960238 643015487 /nfs/dbraw/zinc/01/54/87/643015487.db2.gz GOYISHXFYQRCEN-NSHDSACASA-N 1 0 249.314 0.902 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC001019007174 643015760 /nfs/dbraw/zinc/01/57/60/643015760.db2.gz FWWPSCVCHYSJBE-JTQLQIEISA-N 1 0 248.286 0.172 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnc[nH]c2=O)C1 ZINC001019015853 643019282 /nfs/dbraw/zinc/01/92/82/643019282.db2.gz RPTNRAUZTLOKDF-VIFPVBQESA-N 1 0 248.286 0.172 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC001019217986 643023226 /nfs/dbraw/zinc/02/32/26/643023226.db2.gz DAZYEEIXXLHJNP-JTQLQIEISA-N 1 0 234.303 0.708 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cccnc2C)C1 ZINC001019306558 643028912 /nfs/dbraw/zinc/02/89/12/643028912.db2.gz RXIDWFPMJYERSR-LBPRGKRZSA-N 1 0 243.310 0.827 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(C)(F)F)C1 ZINC001019338891 643029635 /nfs/dbraw/zinc/02/96/35/643029635.db2.gz FCWSHUPFNVWODQ-VIFPVBQESA-N 1 0 230.258 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2conc2CC)C1 ZINC001019344022 643030057 /nfs/dbraw/zinc/03/00/57/643030057.db2.gz KMEDZQSFFAHLEZ-JTQLQIEISA-N 1 0 247.298 0.674 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001019487814 643032257 /nfs/dbraw/zinc/03/22/57/643032257.db2.gz BUTJFTUCQQKPKF-LBPRGKRZSA-N 1 0 248.330 0.719 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2(CF)CCC2)C1 ZINC001019404342 643032995 /nfs/dbraw/zinc/03/29/95/643032995.db2.gz JSTLWUXUUOHREH-NSHDSACASA-N 1 0 238.306 0.950 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001019410268 643034369 /nfs/dbraw/zinc/03/43/69/643034369.db2.gz PMZKUWBWEYSXKA-GRYCIOLGSA-N 1 0 236.315 0.378 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001019493476 643036162 /nfs/dbraw/zinc/03/61/62/643036162.db2.gz AIYCHJISMXXGJT-RWMBFGLXSA-N 1 0 232.327 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC001019567788 643039450 /nfs/dbraw/zinc/03/94/50/643039450.db2.gz LRHUEIAHLFAGES-WCQYABFASA-N 1 0 236.315 0.237 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](NC(C)=O)C1 ZINC001019903807 643045964 /nfs/dbraw/zinc/04/59/64/643045964.db2.gz RVFZRGSRYUEFAR-KYZUINATSA-N 1 0 202.685 0.996 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001020010606 643052193 /nfs/dbraw/zinc/05/21/93/643052193.db2.gz WEBPDCPJJIKZEC-HAQNSBGRSA-N 1 0 246.314 0.062 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cncc(C)c2)C1 ZINC001020045865 643054603 /nfs/dbraw/zinc/05/46/03/643054603.db2.gz OAKILCTTYLBFLW-JOCQHMNTSA-N 1 0 243.310 0.874 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2nnn(C)c2C)C1 ZINC001020043463 643055219 /nfs/dbraw/zinc/05/52/19/643055219.db2.gz DASVFDGSOKLCPZ-MGCOHNPYSA-N 1 0 249.318 0.160 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001020078698 643056941 /nfs/dbraw/zinc/05/69/41/643056941.db2.gz YWPXNLMTFFSQFK-JHJVBQTASA-N 1 0 245.326 0.919 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC)n2)C1 ZINC001020129595 643060176 /nfs/dbraw/zinc/06/01/76/643060176.db2.gz XWJZPKJYSMGFSW-MGCOHNPYSA-N 1 0 249.318 0.334 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001020130923 643060666 /nfs/dbraw/zinc/06/06/66/643060666.db2.gz PTKWBDKFWAVSPG-MGCOHNPYSA-N 1 0 234.303 0.755 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cncn2C)C1 ZINC001020357259 643068059 /nfs/dbraw/zinc/06/80/59/643068059.db2.gz RLTVZPISHAVKLS-XYPYZODXSA-N 1 0 248.330 0.847 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc2c(c1)OCO2 ZINC000252448377 643077891 /nfs/dbraw/zinc/07/78/91/643077891.db2.gz WAPGHZQFHUZWDQ-UHFFFAOYSA-N 1 0 220.232 0.622 20 30 BCEDRO CC#CC[NH+]1CC([C@H](C)NC(=O)C2CC2)C1 ZINC000969183988 643099594 /nfs/dbraw/zinc/09/95/94/643099594.db2.gz WVVDXLZTMYSQGI-JTQLQIEISA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@H](C)CO2)C1 ZINC001020409764 643101455 /nfs/dbraw/zinc/10/14/55/643101455.db2.gz SQKBVTVFHVNHLJ-DDHJBXDOSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CCC[N@@H+]1CC[C@H](NC(C)=O)[C@@H](C)C1 ZINC000941700409 643119626 /nfs/dbraw/zinc/11/96/26/643119626.db2.gz PMOUONONZAXYCL-JQWIXIFHSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCC[N@@H+]1CC[C@@H](NC(C)=O)[C@H](C)C1 ZINC000941700412 643120008 /nfs/dbraw/zinc/12/00/08/643120008.db2.gz PMOUONONZAXYCL-ZYHUDNBSSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCCO2)C1 ZINC000969255019 643120465 /nfs/dbraw/zinc/12/04/65/643120465.db2.gz XLISVGLTPXEQFE-ZYHUDNBSSA-N 1 0 238.331 0.788 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071304679 643127778 /nfs/dbraw/zinc/12/77/78/643127778.db2.gz BHZWJZAVIJKUHT-KGLIPLIRSA-N 1 0 246.310 0.952 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@@H](O)C2CC2)cc1 ZINC000071304683 643127979 /nfs/dbraw/zinc/12/79/79/643127979.db2.gz BHZWJZAVIJKUHT-ZIAGYGMSSA-N 1 0 246.310 0.952 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]c2)[C@H](C)C1 ZINC000941849949 643145113 /nfs/dbraw/zinc/14/51/13/643145113.db2.gz KKXPETCWQMYCLE-ZYHUDNBSSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](C)CC1 ZINC000932344397 643152690 /nfs/dbraw/zinc/15/26/90/643152690.db2.gz WYXMJJNRQMLURF-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)[C@H]2CCOC2)C1 ZINC000969365283 643154930 /nfs/dbraw/zinc/15/49/30/643154930.db2.gz HYNPXXZUCADSDU-QWRGUYRKSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CCN1CC([C@@H](C)NC(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC000969380331 643157623 /nfs/dbraw/zinc/15/76/23/643157623.db2.gz DBDMTJJUKXTLOL-DGCLKSJQSA-N 1 0 249.358 0.150 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ccnnc2)C1 ZINC001032003839 643175559 /nfs/dbraw/zinc/17/55/59/643175559.db2.gz HNGYWIOEACAUJC-UHFFFAOYSA-N 1 0 232.287 0.324 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2n[nH]cc2F)C1 ZINC001020556923 643193560 /nfs/dbraw/zinc/19/35/60/643193560.db2.gz BARWUEJFGWBQDO-ZKCHVHJHSA-N 1 0 236.250 0.032 20 30 BCEDRO C#CC[N@@H+](CCN1CCNC1=O)C(C)C ZINC000932384227 643196060 /nfs/dbraw/zinc/19/60/60/643196060.db2.gz NQVDGUOEAWNJIB-UHFFFAOYSA-N 1 0 209.293 0.355 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cnnn2C)C1 ZINC000969599035 643197969 /nfs/dbraw/zinc/19/79/69/643197969.db2.gz JQAQLNBZKNZFKN-VIFPVBQESA-N 1 0 249.318 0.051 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2n[nH]cc2C)C1 ZINC000969644754 643205002 /nfs/dbraw/zinc/20/50/02/643205002.db2.gz KJHPSRRXDRDVNK-SNVBAGLBSA-N 1 0 248.330 0.954 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2nnc[nH]2)C1 ZINC001032059714 643222520 /nfs/dbraw/zinc/22/25/20/643222520.db2.gz PIYBPFLDMZQYHZ-UHFFFAOYSA-N 1 0 235.291 0.042 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ncccn2)C1 ZINC001032064716 643225703 /nfs/dbraw/zinc/22/57/03/643225703.db2.gz BAMHEXAOIMWYRK-UHFFFAOYSA-N 1 0 232.287 0.324 20 30 BCEDRO C#C[C@@H]1CCCCN1C(=O)[C@H](C)[NH+](C)C ZINC000890652742 643229213 /nfs/dbraw/zinc/22/92/13/643229213.db2.gz WVGSIQAJODEUIN-WDEREUQCSA-N 1 0 208.305 0.951 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CCO[C@@H]2C)C1 ZINC001032076126 643236205 /nfs/dbraw/zinc/23/62/05/643236205.db2.gz LLWZMMYWDHOJPS-PWSUYJOCSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC000969857586 643236486 /nfs/dbraw/zinc/23/64/86/643236486.db2.gz AUMHDLQCMANTSD-GFCCVEGCSA-N 1 0 245.326 0.771 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccnnc2)C1 ZINC001020623779 643240203 /nfs/dbraw/zinc/24/02/03/643240203.db2.gz AXFDGISCERQKNH-HAQNSBGRSA-N 1 0 246.314 0.903 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cscn2)C1 ZINC001020687481 643270629 /nfs/dbraw/zinc/27/06/29/643270629.db2.gz GPHKMZFIXQMYBT-MGCOHNPYSA-N 1 0 249.339 0.556 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001020780106 643293329 /nfs/dbraw/zinc/29/33/29/643293329.db2.gz SAVMCZFBDGQBEF-XYPYZODXSA-N 1 0 246.314 0.903 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ncccn2)C1 ZINC001020790294 643295888 /nfs/dbraw/zinc/29/58/88/643295888.db2.gz DXLOYCHWXGJZFR-XYPYZODXSA-N 1 0 246.314 0.903 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCO[C@H]2C)C1 ZINC001020824851 643310180 /nfs/dbraw/zinc/31/01/80/643310180.db2.gz HVILINQDHVAPSA-BJDJZHNGSA-N 1 0 238.331 0.834 20 30 BCEDRO C#CCN(CC#C)CC(C)C[NH+](CC#C)CC#C ZINC000072906511 643324835 /nfs/dbraw/zinc/32/48/35/643324835.db2.gz TZXMUMMYQXSPCH-UHFFFAOYSA-N 1 0 240.350 0.759 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cocn2)CC1(C)C ZINC000995538207 643327223 /nfs/dbraw/zinc/32/72/23/643327223.db2.gz HYZJHMFWKFYHFM-NSHDSACASA-N 1 0 247.298 0.748 20 30 BCEDRO CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)C#N)CC1(C)C ZINC000995562428 643328620 /nfs/dbraw/zinc/32/86/20/643328620.db2.gz NUFUTTCJJPHZMV-VHSXEESVSA-N 1 0 223.320 0.993 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)[C@@H](C)C#N)CC1(C)C ZINC000995558895 643330337 /nfs/dbraw/zinc/33/03/37/643330337.db2.gz JMEXCULKEDBKCT-QWRGUYRKSA-N 1 0 233.315 0.606 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cncn2C)C1 ZINC001020929950 643338095 /nfs/dbraw/zinc/33/80/95/643338095.db2.gz IZPIPXNPABZZOO-XYPYZODXSA-N 1 0 248.330 0.385 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2[nH]cnc2CC)C1 ZINC001020992584 643370784 /nfs/dbraw/zinc/37/07/84/643370784.db2.gz IUWPYNPHEWBQIT-MGCOHNPYSA-N 1 0 246.314 0.456 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C1CC1 ZINC001032241422 643390245 /nfs/dbraw/zinc/39/02/45/643390245.db2.gz JDDDJOYZSCFACL-RYUDHWBXSA-N 1 0 218.300 0.705 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001021076990 643400078 /nfs/dbraw/zinc/40/00/78/643400078.db2.gz GJEQMADMBFMQRO-HAQNSBGRSA-N 1 0 233.315 0.980 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2[nH]nnc2C)C1 ZINC000970249147 643403902 /nfs/dbraw/zinc/40/39/02/643403902.db2.gz UFZXGTPXJMHUPU-MRVPVSSYSA-N 1 0 249.318 0.349 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nc(C)oc2C)C1 ZINC000970328658 643413864 /nfs/dbraw/zinc/41/38/64/643413864.db2.gz ZAQBDVSQMZNLIJ-LLVKDONJSA-N 1 0 247.298 0.729 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)C(C)C ZINC001032283970 643445326 /nfs/dbraw/zinc/44/53/26/643445326.db2.gz CDEUPXFCYDBBSH-RYUDHWBXSA-N 1 0 220.316 0.951 20 30 BCEDRO C=C(Br)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000307377308 643457842 /nfs/dbraw/zinc/45/78/42/643457842.db2.gz WSUWMKWULCNQFV-JIGDXULJSA-N 1 0 245.120 0.477 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H]2CC2(F)F)CC1 ZINC000996330949 643467433 /nfs/dbraw/zinc/46/74/33/643467433.db2.gz ULIJELUNOBQPLE-JTQLQIEISA-N 1 0 242.269 0.855 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cncnc2)C1 ZINC001010712969 643484452 /nfs/dbraw/zinc/48/44/52/643484452.db2.gz RTJZXFMKFVWNST-LBPRGKRZSA-N 1 0 244.298 0.304 20 30 BCEDRO C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CCC[N@H+]1C ZINC001032314574 643492364 /nfs/dbraw/zinc/49/23/64/643492364.db2.gz ZYNRFNDSURMGDV-AVGNSLFASA-N 1 0 249.358 0.552 20 30 BCEDRO C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCC[N@H+]1C ZINC001032314575 643492549 /nfs/dbraw/zinc/49/25/49/643492549.db2.gz ZYNRFNDSURMGDV-RWMBFGLXSA-N 1 0 249.358 0.552 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000734285278 643494925 /nfs/dbraw/zinc/49/49/25/643494925.db2.gz HTSDNZFJZAKUHK-JTQLQIEISA-N 1 0 221.304 0.546 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2cncn2C)CC1 ZINC000996776584 643503103 /nfs/dbraw/zinc/50/31/03/643503103.db2.gz PWIUDBKFNQQEEC-UHFFFAOYSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CCN1C[C@@H]2C[C@H]1CN2C(=O)Cc1cc[nH]n1 ZINC001032328275 643511208 /nfs/dbraw/zinc/51/12/08/643511208.db2.gz OKIABHOEWIFIPH-RYUDHWBXSA-N 1 0 246.314 0.423 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(C)=O)C1 ZINC001021477299 643530163 /nfs/dbraw/zinc/53/01/63/643530163.db2.gz WBKFBLLIFBVROT-QWHCGFSZSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)Cc2cnoc2)CC1 ZINC000996905911 643551204 /nfs/dbraw/zinc/55/12/04/643551204.db2.gz VABKBLOXVHMBNV-UHFFFAOYSA-N 1 0 247.298 0.431 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)C2(CF)CC2)CC1 ZINC000996986603 643568520 /nfs/dbraw/zinc/56/85/20/643568520.db2.gz BZIRNSFBBYNESE-UHFFFAOYSA-N 1 0 238.306 0.950 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000997121849 643586324 /nfs/dbraw/zinc/58/63/24/643586324.db2.gz BNGQQOMUINQQQY-UHFFFAOYSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)Cn2cncn2)CC1 ZINC000997258590 643604830 /nfs/dbraw/zinc/60/48/30/643604830.db2.gz AENXDMWKGGNWLY-UHFFFAOYSA-N 1 0 249.318 0.045 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2ccn(C)n2)CC1 ZINC000997303936 643608390 /nfs/dbraw/zinc/60/83/90/643608390.db2.gz WWWUPJFYVAMRSX-UHFFFAOYSA-N 1 0 248.330 0.800 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](OCC)C1 ZINC000084222308 643650887 /nfs/dbraw/zinc/65/08/87/643650887.db2.gz SLRHYWNVZGZOMI-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000971062016 643692528 /nfs/dbraw/zinc/69/25/28/643692528.db2.gz VBVFHGVYFKDHDJ-LLVKDONJSA-N 1 0 247.298 0.763 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)COC)C1 ZINC000998325505 643697983 /nfs/dbraw/zinc/69/79/83/643697983.db2.gz YHLXZPTXQJPKCJ-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000998422197 643704811 /nfs/dbraw/zinc/70/48/11/643704811.db2.gz JBSOELUILLQTJR-NSHDSACASA-N 1 0 244.298 0.304 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000998490406 643708996 /nfs/dbraw/zinc/70/89/96/643708996.db2.gz XNPXISXBPFNZHF-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCCO2)C1 ZINC000998485975 643709166 /nfs/dbraw/zinc/70/91/66/643709166.db2.gz JGWSNSSIGSQZCJ-NWDGAFQWSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC000998495865 643710350 /nfs/dbraw/zinc/71/03/50/643710350.db2.gz OOQQRIVCIIBRHT-GFCCVEGCSA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC000998495077 643710688 /nfs/dbraw/zinc/71/06/88/643710688.db2.gz KHIKIGBKEMGPHW-LBPRGKRZSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000998648043 643716701 /nfs/dbraw/zinc/71/67/01/643716701.db2.gz NGTOOYWNIMDQGU-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cnnn2C)C1 ZINC000998712821 643717529 /nfs/dbraw/zinc/71/75/29/643717529.db2.gz WECJCIVJFWUQBH-UHFFFAOYSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000998690695 643717877 /nfs/dbraw/zinc/71/78/77/643717877.db2.gz VJPOJPUXVKPEME-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC[C@H]([NH2+]CCF)C1 ZINC000998757763 643721533 /nfs/dbraw/zinc/72/15/33/643721533.db2.gz ZAUMXMIRAFEKRN-ZJUUUORDSA-N 1 0 227.283 0.696 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccn(C)c2)C1 ZINC000998913610 643727359 /nfs/dbraw/zinc/72/73/59/643727359.db2.gz GGTLHUCDQBXWJG-CYBMUJFWSA-N 1 0 245.326 0.853 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000999076758 643729213 /nfs/dbraw/zinc/72/92/13/643729213.db2.gz YZNOWWCEHJIXLJ-VXGBXAGGSA-N 1 0 238.331 0.217 20 30 BCEDRO O=C(C#CC1CC1)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000999130867 643729891 /nfs/dbraw/zinc/72/98/91/643729891.db2.gz YQNVFCROSPUPIZ-GFCCVEGCSA-N 1 0 238.306 0.950 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2ccnnc2)C1 ZINC000999457864 643736578 /nfs/dbraw/zinc/73/65/78/643736578.db2.gz IRUBGOXLLFVYQR-UHFFFAOYSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC000999830185 643741667 /nfs/dbraw/zinc/74/16/67/643741667.db2.gz ITSRIOZGPBXPBW-SNVBAGLBSA-N 1 0 233.271 0.502 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2C[C@@H]2C)C1 ZINC000999918426 643743546 /nfs/dbraw/zinc/74/35/46/643743546.db2.gz BYSBMRBPRCFGQU-TUAOUCFPSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[N@H+]1CC[C@H](n2cc(CNC(C)=O)nn2)C1 ZINC000999937331 643745002 /nfs/dbraw/zinc/74/50/02/643745002.db2.gz HTHZBVOVXUBRPW-LBPRGKRZSA-N 1 0 249.318 0.347 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC000999981394 643745701 /nfs/dbraw/zinc/74/57/01/643745701.db2.gz UYEPTLRHFQHMJB-GFCCVEGCSA-N 1 0 249.314 0.984 20 30 BCEDRO N#CCN1CCC([NH2+]Cc2cc[nH]c(=O)c2)CC1 ZINC000921706284 643758776 /nfs/dbraw/zinc/75/87/76/643758776.db2.gz BZLUOQDRSFAQCB-UHFFFAOYSA-N 1 0 246.314 0.865 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001000317081 643775659 /nfs/dbraw/zinc/77/56/59/643775659.db2.gz IIGKJDJYBJBIKH-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001000490346 643785417 /nfs/dbraw/zinc/78/54/17/643785417.db2.gz NATUVSVHZPJMCS-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO C=CC[N@H+]1CC=C(CNC(=O)c2cn[nH]c2)CC1 ZINC001000469874 643786116 /nfs/dbraw/zinc/78/61/16/643786116.db2.gz JYPXMYZSNZGSES-UHFFFAOYSA-N 1 0 246.314 0.958 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]Cc1csc(C#N)c1 ZINC000921861777 643810941 /nfs/dbraw/zinc/81/09/41/643810941.db2.gz KVNGITGTKCNDER-ZETCQYMHSA-N 1 0 223.301 0.973 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000921869623 643812098 /nfs/dbraw/zinc/81/20/98/643812098.db2.gz DHNAOIBAULFNCL-MNOVXSKESA-N 1 0 241.335 0.581 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)N[C@H]1CCC[C@H]1C#N ZINC000921980727 643837568 /nfs/dbraw/zinc/83/75/68/643837568.db2.gz NOESPTPYVWRZNT-AXFHLTTASA-N 1 0 236.319 0.682 20 30 BCEDRO N#Cc1cc(C[NH2+][C@]2(CO)CCOC2)cs1 ZINC000921992909 643840559 /nfs/dbraw/zinc/84/05/59/643840559.db2.gz BTHSHMJJGLCYKM-NSHDSACASA-N 1 0 238.312 0.861 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1[C@H](C)CC[C@@H]1CO ZINC000922006885 643843091 /nfs/dbraw/zinc/84/30/91/643843091.db2.gz LHEYBDLYICVLPX-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000922040762 643851818 /nfs/dbraw/zinc/85/18/18/643851818.db2.gz PCJOKUJCKCBMDR-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000922040761 643852074 /nfs/dbraw/zinc/85/20/74/643852074.db2.gz PCJOKUJCKCBMDR-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC000922108717 643862970 /nfs/dbraw/zinc/86/29/70/643862970.db2.gz CFGHUVFUVKILCS-SECBINFHSA-N 1 0 226.301 0.717 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1c2c(nn1C)CCC2 ZINC000922264362 643935082 /nfs/dbraw/zinc/93/50/82/643935082.db2.gz SICITIJJKRTRBK-SECBINFHSA-N 1 0 221.304 0.545 20 30 BCEDRO N#Cc1cc(C[NH2+][C@H]2CCOC[C@@H]2O)cs1 ZINC000922293748 643957025 /nfs/dbraw/zinc/95/70/25/643957025.db2.gz HSCAKDSLJQRNMD-QWRGUYRKSA-N 1 0 238.312 0.859 20 30 BCEDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC000922308564 643964652 /nfs/dbraw/zinc/96/46/52/643964652.db2.gz FEWCVWLNROCKBB-GMSGAONNSA-N 1 0 226.301 0.451 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H](C#C)CC)CC1 ZINC000922525709 644014082 /nfs/dbraw/zinc/01/40/82/644014082.db2.gz NHZYIYVRNBTANM-LBPRGKRZSA-N 1 0 247.342 0.795 20 30 BCEDRO C#C[C@H](CC)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922525900 644014524 /nfs/dbraw/zinc/01/45/24/644014524.db2.gz OFFXPFGECKFZKX-SNVBAGLBSA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922525897 644014806 /nfs/dbraw/zinc/01/48/06/644014806.db2.gz OFFXPFGECKFZKX-JTQLQIEISA-N 1 0 223.320 0.792 20 30 BCEDRO C#CC[C@H]1NC(=O)N([C@@H]2CC[N@@H+](CCC)C2)C1=O ZINC000925360308 644025470 /nfs/dbraw/zinc/02/54/70/644025470.db2.gz VYBSJFJXCMNUNS-GHMZBOCLSA-N 1 0 249.314 0.414 20 30 BCEDRO C#CC[C@@H]1NC(=O)N([C@H]2CC[N@@H+](CCC)C2)C1=O ZINC000925360313 644025604 /nfs/dbraw/zinc/02/56/04/644025604.db2.gz VYBSJFJXCMNUNS-QWRGUYRKSA-N 1 0 249.314 0.414 20 30 BCEDRO CNC(NCCc1nn(C)c2ccccc12)=[NH+]C ZINC000186885318 644152660 /nfs/dbraw/zinc/15/26/60/644152660.db2.gz KYFOQVUPSILYRN-UHFFFAOYSA-N 1 0 245.330 0.911 20 30 BCEDRO C#CC[NH+]1CCC(N(C)C(=O)c2ccn[nH]2)CC1 ZINC001005128707 644172328 /nfs/dbraw/zinc/17/23/28/644172328.db2.gz FALFGQOWJWXKKE-UHFFFAOYSA-N 1 0 246.314 0.579 20 30 BCEDRO CCN(C)C(=O)CNC(=[NH2+])NCCC(C)C ZINC000187052936 644201849 /nfs/dbraw/zinc/20/18/49/644201849.db2.gz JHWIPFFPQNRPIN-UHFFFAOYSA-N 1 0 228.340 0.415 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H]2C[C@H](CO)C2)nn1 ZINC000923005759 644223718 /nfs/dbraw/zinc/22/37/18/644223718.db2.gz SDXJINHCISWRTC-XYPYZODXSA-N 1 0 236.319 0.715 20 30 BCEDRO C#CCC1([NH2+]Cc2cn(C)nn2)CCC1 ZINC000922998854 644223743 /nfs/dbraw/zinc/22/37/43/644223743.db2.gz ZSXKIQQIXXCUKC-UHFFFAOYSA-N 1 0 204.277 0.851 20 30 BCEDRO C[NH+]=C(NCCCOC(F)F)NC1CC1 ZINC000193241214 644225090 /nfs/dbraw/zinc/22/50/90/644225090.db2.gz WFWCDCMZZARFJH-UHFFFAOYSA-N 1 0 221.251 0.943 20 30 BCEDRO CO[C@H](C)C(N)=NOCC[NH+]1CCCCC1 ZINC000194402498 644317943 /nfs/dbraw/zinc/31/79/43/644317943.db2.gz FFLBLCVSCXEOIX-SNVBAGLBSA-N 1 0 229.324 0.796 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000923286443 644319668 /nfs/dbraw/zinc/31/96/68/644319668.db2.gz LBNIXTGHVBZMFC-UTUOFQBUSA-N 1 0 212.337 0.996 20 30 BCEDRO C=CCC[C@H](O)CN1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000923299028 644325487 /nfs/dbraw/zinc/32/54/87/644325487.db2.gz WIXXVQWUEXPTQY-SDDRHHMPSA-N 1 0 228.336 0.362 20 30 BCEDRO C=CCC[C@@H](O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000923351833 644369214 /nfs/dbraw/zinc/36/92/14/644369214.db2.gz CCLICVBVPLRORE-ZJUUUORDSA-N 1 0 234.290 0.852 20 30 BCEDRO N#Cc1ccccc1CN1CCC[C@]([NH3+])(CO)C1 ZINC000923474352 644451841 /nfs/dbraw/zinc/45/18/41/644451841.db2.gz GROOPXZEKYWCIZ-CQSZACIVSA-N 1 0 245.326 0.844 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)[C@@H](C#N)CC)C1 ZINC000923553170 644494692 /nfs/dbraw/zinc/49/46/92/644494692.db2.gz IIGKLDPEHYOCHD-NEPJUHHUSA-N 1 0 233.315 0.750 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)C2CSC2)C1 ZINC000923552929 644496165 /nfs/dbraw/zinc/49/61/65/644496165.db2.gz FWVHKBAPALNNRU-LLVKDONJSA-N 1 0 238.356 0.563 20 30 BCEDRO C#CCCNC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000753920316 644606758 /nfs/dbraw/zinc/60/67/58/644606758.db2.gz VOWPZSAQURLIJR-QWRGUYRKSA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1C[C@H](C)CC[C@H]1C ZINC000091440393 644627163 /nfs/dbraw/zinc/62/71/63/644627163.db2.gz RBIKHCZPPGFAKT-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=S)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000758190599 644635008 /nfs/dbraw/zinc/63/50/08/644635008.db2.gz GYISEUNAPTXNCN-SNVBAGLBSA-N 1 0 237.372 0.568 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CCCCO1 ZINC000764445373 644657507 /nfs/dbraw/zinc/65/75/07/644657507.db2.gz ZNDZEVQJGWYMKY-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCc1cccc(F)c1 ZINC000092492206 644660341 /nfs/dbraw/zinc/66/03/41/644660341.db2.gz DFOSVYOJSRSUPQ-UHFFFAOYSA-N 1 0 234.274 0.707 20 30 BCEDRO C=CCN1CCC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001007261959 644667235 /nfs/dbraw/zinc/66/72/35/644667235.db2.gz PUSKEXQQQNNXAH-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnccc2N(C)C)N1 ZINC000779798754 644716804 /nfs/dbraw/zinc/71/68/04/644716804.db2.gz GDKTYVYLXMXVGP-SECBINFHSA-N 1 0 246.318 0.419 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]C[C@H](C)N2)c(O)c1 ZINC000779804331 644717425 /nfs/dbraw/zinc/71/74/25/644717425.db2.gz CZYJUBNNOZAROY-QMMMGPOBSA-N 1 0 248.286 0.672 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2CCn3cccc32)N1 ZINC000779805622 644717699 /nfs/dbraw/zinc/71/76/99/644717699.db2.gz QHHHYUDHWLYXPA-MRVPVSSYSA-N 1 0 217.276 0.533 20 30 BCEDRO C#CCN1CC(N(CC)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC000957378575 644724010 /nfs/dbraw/zinc/72/40/10/644724010.db2.gz XCCGPALCJMSIOX-GFCCVEGCSA-N 1 0 249.358 0.104 20 30 BCEDRO C=C(C)CC[N@@H+]1C[C@H](O)[C@@H](CNC(C)=O)C1 ZINC000957786859 644750784 /nfs/dbraw/zinc/75/07/84/644750784.db2.gz ATKCODNVYKSFNS-RYUDHWBXSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1nccnc1C ZINC000783232724 644750942 /nfs/dbraw/zinc/75/09/42/644750942.db2.gz WGPMQPUUZKCYKA-SNVBAGLBSA-N 1 0 246.314 0.575 20 30 BCEDRO C=C(C)CC[N@@H+]1C[C@H](O)[C@H](CNC(C)=O)C1 ZINC000957786857 644751276 /nfs/dbraw/zinc/75/12/76/644751276.db2.gz ATKCODNVYKSFNS-NEPJUHHUSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)C2CCC2)C1 ZINC000957798156 644755112 /nfs/dbraw/zinc/75/51/12/644755112.db2.gz QKRWJRHQLDCZPK-RYUDHWBXSA-N 1 0 238.331 0.381 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)F ZINC000958003235 644769684 /nfs/dbraw/zinc/76/96/84/644769684.db2.gz RTHGKNJZLVRDMS-JIGDXULJSA-N 1 0 216.231 0.484 20 30 BCEDRO C=CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)F ZINC000958001331 644770086 /nfs/dbraw/zinc/77/00/86/644770086.db2.gz DILLLJAUPUFHQH-BRPSZJMVSA-N 1 0 230.258 0.874 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(F)F ZINC000958014246 644770122 /nfs/dbraw/zinc/77/01/22/644770122.db2.gz RUSLANAJDQKNIG-BRPSZJMVSA-N 1 0 228.242 0.321 20 30 BCEDRO C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2cc[nH]c2)C1 ZINC000958085601 644776000 /nfs/dbraw/zinc/77/60/00/644776000.db2.gz HOXUIHPOTJEWKD-RYUDHWBXSA-N 1 0 249.314 0.223 20 30 BCEDRO C=CC[N@H+]1C[C@H](O)[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC000958085599 644776691 /nfs/dbraw/zinc/77/66/91/644776691.db2.gz HOXUIHPOTJEWKD-NEPJUHHUSA-N 1 0 249.314 0.223 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 ZINC000958158566 644778715 /nfs/dbraw/zinc/77/87/15/644778715.db2.gz XABDPRQRWPFNPH-QNWHQSFQSA-N 1 0 248.326 0.235 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1occc1C ZINC000958245243 644783351 /nfs/dbraw/zinc/78/33/51/644783351.db2.gz FRKDAYIQRKOAPQ-GDNZZTSVSA-N 1 0 244.294 0.881 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC000958285520 644786022 /nfs/dbraw/zinc/78/60/22/644786022.db2.gz QXVKWYZGLLLDCJ-JZYVYDRUSA-N 1 0 233.271 0.521 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC000958307428 644787495 /nfs/dbraw/zinc/78/74/95/644787495.db2.gz PQJMULGEFUGTGR-URLYPYJESA-N 1 0 232.287 0.256 20 30 BCEDRO Cn1nccc1[C@@H]1CCCC(N=NC(N)=[NH2+])C1 ZINC000790289690 644789035 /nfs/dbraw/zinc/78/90/35/644789035.db2.gz DOOUHILASGAGJJ-MRVPVSSYSA-N 1 0 234.307 0.917 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n[nH]1 ZINC000958323701 644788990 /nfs/dbraw/zinc/78/89/90/644788990.db2.gz KLCGJRRWMXOXLC-IAZYJMLFSA-N 1 0 244.298 0.011 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1=COCCC1 ZINC000958375686 644792735 /nfs/dbraw/zinc/79/27/35/644792735.db2.gz VRBKRVKXGREKTH-ITGUQSILSA-N 1 0 248.326 0.913 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC000958392024 644793326 /nfs/dbraw/zinc/79/33/26/644793326.db2.gz FWDYWEQVTFPICS-JZYVYDRUSA-N 1 0 233.271 0.521 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCOC1 ZINC000958446109 644797315 /nfs/dbraw/zinc/79/73/15/644797315.db2.gz YRNYNBXPPOUUDX-CIQGVGRVSA-N 1 0 248.326 0.093 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H](C)C1CC1 ZINC000958491567 644800117 /nfs/dbraw/zinc/80/01/17/644800117.db2.gz QBDONKRDYBMMMO-FTYKPCCVSA-N 1 0 232.327 0.712 20 30 BCEDRO CCOc1ncccc1CNC(NC)=[NH+]C ZINC000303251970 644811744 /nfs/dbraw/zinc/81/17/44/644811744.db2.gz AUOUXOKWEQIVGT-UHFFFAOYSA-N 1 0 222.292 0.775 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCCO1 ZINC000958581056 644812240 /nfs/dbraw/zinc/81/22/40/644812240.db2.gz VGARMIQMJDYKLT-XQHKEYJVSA-N 1 0 248.326 0.235 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCCO1 ZINC000303258695 644812932 /nfs/dbraw/zinc/81/29/32/644812932.db2.gz LGCZYFUXFFFXBU-DTWKUNHWSA-N 1 0 215.297 0.105 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCO1 ZINC000303258696 644813246 /nfs/dbraw/zinc/81/32/46/644813246.db2.gz LGCZYFUXFFFXBU-IUCAKERBSA-N 1 0 215.297 0.105 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000303259517 644813915 /nfs/dbraw/zinc/81/39/15/644813915.db2.gz MGLRVKXKACHSAH-SECBINFHSA-N 1 0 248.330 0.988 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(C)C ZINC000958595129 644814158 /nfs/dbraw/zinc/81/41/58/644814158.db2.gz TVQPEJBWLTXWMX-WHOHXGKFSA-N 1 0 232.327 0.712 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cccc(C(=O)NC)c1 ZINC000303269044 644815634 /nfs/dbraw/zinc/81/56/34/644815634.db2.gz ZPFOPXHXEALSLV-UHFFFAOYSA-N 1 0 246.314 0.637 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncnc1 ZINC000958639011 644816954 /nfs/dbraw/zinc/81/69/54/644816954.db2.gz WQEDENMNBVJOAF-GDNZZTSVSA-N 1 0 244.298 0.323 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1n[nH]cc1C ZINC000958816479 644830589 /nfs/dbraw/zinc/83/05/89/644830589.db2.gz OBXBUPNPKXRPOR-IAZYJMLFSA-N 1 0 244.298 0.011 20 30 BCEDRO Cc1cc(F)ccc1[C@@H](O)C[NH2+]CC#CCO ZINC000843078617 644833067 /nfs/dbraw/zinc/83/30/67/644833067.db2.gz CXRHOOJUZFWASN-ZDUSSCGKSA-N 1 0 237.274 0.753 20 30 BCEDRO C[C@H](C#N)OCCN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000801940681 644845659 /nfs/dbraw/zinc/84/56/59/644845659.db2.gz PPKLQXMVDVVRIE-UTUOFQBUSA-N 1 0 225.336 0.939 20 30 BCEDRO CCCNC(=[NH2+])NCCc1nnc2ccccn21 ZINC000303787222 644846974 /nfs/dbraw/zinc/84/69/74/644846974.db2.gz SHIIOPSSGWJXAI-UHFFFAOYSA-N 1 0 246.318 0.586 20 30 BCEDRO CN(C)C(=O)CCNC(=[NH2+])NCC1CCC1 ZINC000303869222 644850366 /nfs/dbraw/zinc/85/03/66/644850366.db2.gz DSQMDPAJTXDTLX-UHFFFAOYSA-N 1 0 226.324 0.169 20 30 BCEDRO CCOCCCCNC(=[NH2+])N[C@@H](C)COC ZINC000303878106 644853235 /nfs/dbraw/zinc/85/32/35/644853235.db2.gz FTNYMMQLJSZSNJ-JTQLQIEISA-N 1 0 231.340 0.742 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCc2cc[nH]n2)C1 ZINC000303894365 644853781 /nfs/dbraw/zinc/85/37/81/644853781.db2.gz SOSYMMHIDZQHGC-VIFPVBQESA-N 1 0 221.308 0.956 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1cccc(C)n1 ZINC000303893960 644854489 /nfs/dbraw/zinc/85/44/89/644854489.db2.gz OLICATXHLRFORR-JTQLQIEISA-N 1 0 236.319 0.829 20 30 BCEDRO COCCOCCNC(=[NH2+])N1CCCCC1 ZINC000303885565 644854810 /nfs/dbraw/zinc/85/48/10/644854810.db2.gz NILGKFVDSYYKPS-UHFFFAOYSA-N 1 0 229.324 0.450 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCCS(C)(=O)=O ZINC000303900188 644855626 /nfs/dbraw/zinc/85/56/26/644855626.db2.gz WPUHVNQHDHZEHA-UHFFFAOYSA-N 1 0 249.380 0.372 20 30 BCEDRO CCS(=O)(=O)CCNC(=[NH2+])NCCC(C)C ZINC000303971856 644860673 /nfs/dbraw/zinc/86/06/73/644860673.db2.gz FFHKDVGHQIXTIF-UHFFFAOYSA-N 1 0 249.380 0.372 20 30 BCEDRO CC(C)CNC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000303972538 644861407 /nfs/dbraw/zinc/86/14/07/644861407.db2.gz FXOZWPOJTDBZCB-UHFFFAOYSA-N 1 0 249.318 0.580 20 30 BCEDRO COC(=O)[C@@H](C)CNC(=[NH2+])NCC(C)C ZINC000303984730 644863227 /nfs/dbraw/zinc/86/32/27/644863227.db2.gz SIZAKQOBDYSFMU-QMMMGPOBSA-N 1 0 215.297 0.356 20 30 BCEDRO CNC(=O)[C@@H]1CCC[N@@H+]1CCO[C@H](C)C#N ZINC000304218961 644877051 /nfs/dbraw/zinc/87/70/51/644877051.db2.gz GYBBWDVPDVKISD-ZJUUUORDSA-N 1 0 225.292 0.125 20 30 BCEDRO CCCC[N@H+](CCO[C@@H](C)C#N)CC(N)=O ZINC000304245024 644882277 /nfs/dbraw/zinc/88/22/77/644882277.db2.gz OZHDFIKFQSPKPT-JTQLQIEISA-N 1 0 227.308 0.502 20 30 BCEDRO COC(=O)[C@@H]1C[N@H+](CCO[C@H](C)C#N)C[C@H]1C ZINC000304260547 644884570 /nfs/dbraw/zinc/88/45/70/644884570.db2.gz SZTDDWQYJXLWEL-GMTAPVOTSA-N 1 0 240.303 0.656 20 30 BCEDRO C[C@H](C#N)OCCN(C)C[C@H]1CCC[N@@H+]1C ZINC000304295053 644887478 /nfs/dbraw/zinc/88/74/78/644887478.db2.gz ZOISXSUHUUSYMZ-VXGBXAGGSA-N 1 0 225.336 0.941 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H](OC)C(C)(C)C ZINC000304287867 644888165 /nfs/dbraw/zinc/88/81/65/644888165.db2.gz BDLDDYUONSJBIX-VIFPVBQESA-N 1 0 231.340 0.598 20 30 BCEDRO [NH2+]=C(NCCCOC[C@@H]1CCOC1)NC1CC1 ZINC000304287980 644888486 /nfs/dbraw/zinc/88/84/86/644888486.db2.gz DDMADLVEOBQXGG-JTQLQIEISA-N 1 0 241.335 0.496 20 30 BCEDRO C[C@@H](C#N)OCCN(C)C[C@H]1CCC[N@@H+]1C ZINC000304295045 644888548 /nfs/dbraw/zinc/88/85/48/644888548.db2.gz ZOISXSUHUUSYMZ-NWDGAFQWSA-N 1 0 225.336 0.941 20 30 BCEDRO CNC(NCc1csc(N(C)C)n1)=[NH+]C ZINC000304482601 644910645 /nfs/dbraw/zinc/91/06/45/644910645.db2.gz BELGRVUAJSFJNK-UHFFFAOYSA-N 1 0 227.337 0.504 20 30 BCEDRO CCCNC(=[NH2+])NCCCNC(=O)C1CCC1 ZINC000304676173 644925520 /nfs/dbraw/zinc/92/55/20/644925520.db2.gz DDBKWKVWBLBJQX-UHFFFAOYSA-N 1 0 240.351 0.607 20 30 BCEDRO CNC(NCCCNC(=O)C1CCC1)=[NH+]C ZINC000304694411 644925863 /nfs/dbraw/zinc/92/58/63/644925863.db2.gz HXXDGQNJLNQYHC-UHFFFAOYSA-N 1 0 226.324 0.088 20 30 BCEDRO CO[C@H](CNC(=[NH2+])N1CCOCC1)C(C)(C)C ZINC000304753209 644929119 /nfs/dbraw/zinc/92/91/19/644929119.db2.gz YGDDWAIOCYWVRI-SNVBAGLBSA-N 1 0 243.351 0.694 20 30 BCEDRO CSC(C)(C)CNC(=[NH2+])N1CCOCC1 ZINC000304758919 644930439 /nfs/dbraw/zinc/93/04/39/644930439.db2.gz QPHVKVPBBOZWJZ-UHFFFAOYSA-N 1 0 231.365 0.775 20 30 BCEDRO CCC[C@H](CCO)CNC(=[NH2+])N1CCOCC1 ZINC000304789064 644933178 /nfs/dbraw/zinc/93/31/78/644933178.db2.gz JRQXLMSSIQZMAC-LLVKDONJSA-N 1 0 243.351 0.432 20 30 BCEDRO C[NH+]=C(NCCCO[C@H]1CCOC1)NC1CC1 ZINC000304983164 644943118 /nfs/dbraw/zinc/94/31/18/644943118.db2.gz ADKXYTWERNHRFB-NSHDSACASA-N 1 0 241.335 0.509 20 30 BCEDRO C#CCC[NH+]1CCN(CCOCCC#N)CC1 ZINC000815077458 644950672 /nfs/dbraw/zinc/95/06/72/644950672.db2.gz PJUOTZYAUQKORT-UHFFFAOYSA-N 1 0 235.331 0.558 20 30 BCEDRO C#CCCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000819115490 645004812 /nfs/dbraw/zinc/00/48/12/645004812.db2.gz BTKNCPIMJVTJJH-LBPRGKRZSA-N 1 0 223.320 0.196 20 30 BCEDRO CC#CCN(C)C(=O)C1([NH+](C)C)CCC1 ZINC000819249384 645008614 /nfs/dbraw/zinc/00/86/14/645008614.db2.gz LMLOWODMMFZIRV-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C[NH+]1CCCC1 ZINC000821712097 645036657 /nfs/dbraw/zinc/03/66/57/645036657.db2.gz MPIZUNXSIDECCW-NSHDSACASA-N 1 0 226.320 0.383 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@H](CC)C(N)=O)C1 ZINC000829784167 645110205 /nfs/dbraw/zinc/11/02/05/645110205.db2.gz GQRBCHXZQWZGOK-GHMZBOCLSA-N 1 0 208.305 0.986 20 30 BCEDRO C#CC1CCN(C[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000830316055 645118762 /nfs/dbraw/zinc/11/87/62/645118762.db2.gz CLUBIQFBLRXUMC-AWEZNQCLSA-N 1 0 236.359 0.788 20 30 BCEDRO C#CC1CC[NH+](CC(=O)N2CCOCC2)CC1 ZINC000830301387 645118803 /nfs/dbraw/zinc/11/88/03/645118803.db2.gz LPFPLWDLZWESLZ-UHFFFAOYSA-N 1 0 236.315 0.190 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(F)c(N)c1 ZINC000834484112 645142776 /nfs/dbraw/zinc/14/27/76/645142776.db2.gz DWMBRGHAVSUQOE-LDYMZIIASA-N 1 0 248.261 0.249 20 30 BCEDRO CC(C)c1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)[nH]n1 ZINC000834521464 645143682 /nfs/dbraw/zinc/14/36/82/645143682.db2.gz JQKOIEFFUHRWIU-KCJUWKMLSA-N 1 0 247.302 0.374 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CC(C)(C)O ZINC000836807826 645176587 /nfs/dbraw/zinc/17/65/87/645176587.db2.gz NKRIMGYPGBKFCM-SNVBAGLBSA-N 1 0 228.336 0.770 20 30 BCEDRO C#C[C@@H](CC)NS(=O)(=O)CCC[NH+](C)C ZINC000867198965 645183592 /nfs/dbraw/zinc/18/35/92/645183592.db2.gz SLBUEMLRCJCOHT-JTQLQIEISA-N 1 0 232.349 0.269 20 30 BCEDRO CC(C)CNC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841506948 645216760 /nfs/dbraw/zinc/21/67/60/645216760.db2.gz MJHDNCMUPMFXRT-DTWKUNHWSA-N 1 0 210.281 0.053 20 30 BCEDRO CC(C)(C)NC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000841507136 645217353 /nfs/dbraw/zinc/21/73/53/645217353.db2.gz VTFVNMROLXKJJY-JGVFFNPUSA-N 1 0 210.281 0.196 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CCC(C)C ZINC000843078741 645262581 /nfs/dbraw/zinc/26/25/81/645262581.db2.gz WFMYIZZONUUJHV-NWDGAFQWSA-N 1 0 213.321 0.757 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926545282 645268353 /nfs/dbraw/zinc/26/83/53/645268353.db2.gz JGAUWBPWUQPABV-NXEZZACHSA-N 1 0 224.308 0.793 20 30 BCEDRO C=C(Cl)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844380438 645325802 /nfs/dbraw/zinc/32/58/02/645325802.db2.gz UROBCQLSLKLVDX-UHFFFAOYSA-N 1 0 245.754 0.445 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@H](CO)[C@@H](C)O)cc1 ZINC000846060586 645396124 /nfs/dbraw/zinc/39/61/24/645396124.db2.gz QMJVNHZPWYTBNO-ZWNOBZJWSA-N 1 0 219.284 0.499 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCC(=O)N(C)OC ZINC000846979931 645410431 /nfs/dbraw/zinc/41/04/31/645410431.db2.gz DJPIYLKGJPPTDP-VIFPVBQESA-N 1 0 213.281 0.678 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@H](C#C)C1 ZINC000847018215 645413304 /nfs/dbraw/zinc/41/33/04/645413304.db2.gz HOSQFAZQTLJFTD-LBPRGKRZSA-N 1 0 218.300 0.471 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCC(=O)N(C)C)C1 ZINC000847020036 645417116 /nfs/dbraw/zinc/41/71/16/645417116.db2.gz VOONUEGTVKTDCE-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](COCC)C1 ZINC000851798322 645468162 /nfs/dbraw/zinc/46/81/62/645468162.db2.gz QPISHQQDRCAJEY-LBPRGKRZSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CCOCC[NH+]1CCC(CC(=O)NC)CC1 ZINC000851796041 645468565 /nfs/dbraw/zinc/46/85/65/645468565.db2.gz RVOJFJKGSZXGAG-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCN1CCNC1=O ZINC000926873635 645469384 /nfs/dbraw/zinc/46/93/84/645469384.db2.gz MWRRRSIVRXSVOF-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CC1(C#N)CC1 ZINC000926873972 645469676 /nfs/dbraw/zinc/46/96/76/645469676.db2.gz KKGFRLXANOXSGL-VHSXEESVSA-N 1 0 221.304 0.937 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)C1(CO)CC1 ZINC000855477047 645526597 /nfs/dbraw/zinc/52/65/97/645526597.db2.gz BGSICWXQFCFDQP-SNVBAGLBSA-N 1 0 226.320 0.381 20 30 BCEDRO Cn1nccc1[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000927129880 645562429 /nfs/dbraw/zinc/56/24/29/645562429.db2.gz LOJLLFARAUSHED-HOSYDEDBSA-N 1 0 234.303 0.735 20 30 BCEDRO C[C@@H]1COC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927169103 645581822 /nfs/dbraw/zinc/58/18/22/645581822.db2.gz WFLYIPLSQWKMNR-PWSUYJOCSA-N 1 0 246.314 0.990 20 30 BCEDRO C=C[C@@H](O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927698444 645638737 /nfs/dbraw/zinc/63/87/37/645638737.db2.gz YWRMRAKWLZZTPY-LLVKDONJSA-N 1 0 235.287 0.311 20 30 BCEDRO CCSCC[NH2+][C@@H]1CCCN(O)C1=O ZINC000857707395 645658029 /nfs/dbraw/zinc/65/80/29/645658029.db2.gz SCQZNRCPISSUNY-MRVPVSSYSA-N 1 0 218.322 0.709 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928442310 645768563 /nfs/dbraw/zinc/76/85/63/645768563.db2.gz AZLMSZRHUJBYBY-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCC#N)CC[C@H]21 ZINC000875540878 645778991 /nfs/dbraw/zinc/77/89/91/645778991.db2.gz MRGJPDNDTOKDKY-WDEREUQCSA-N 1 0 236.319 0.636 20 30 BCEDRO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928555816 645814565 /nfs/dbraw/zinc/81/45/65/645814565.db2.gz PQWDWFHNBLRGDF-JTQLQIEISA-N 1 0 232.287 0.629 20 30 BCEDRO C#CCC1(O)CC[NH+]([C@H](C)COC)CC1 ZINC000880480543 645832582 /nfs/dbraw/zinc/83/25/82/645832582.db2.gz WMZVJFGIILMYDH-LLVKDONJSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCC1(O)CC[NH+](CCOCC)CC1 ZINC000880479584 645832798 /nfs/dbraw/zinc/83/27/98/645832798.db2.gz XXLCTYJCDFRPHY-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCC1(O)CC[NH+](CCc2ccnn2C)CC1 ZINC000880484502 645833811 /nfs/dbraw/zinc/83/38/11/645833811.db2.gz XPQUMNZMOZEZRB-UHFFFAOYSA-N 1 0 247.342 0.813 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@@H](C)C1 ZINC000928584769 645838437 /nfs/dbraw/zinc/83/84/37/645838437.db2.gz FICFUFUTUBYMLM-JTQLQIEISA-N 1 0 226.320 0.599 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)C2CC2)C[C@@H]1C ZINC000946958326 645847347 /nfs/dbraw/zinc/84/73/47/645847347.db2.gz YDMUUAZUOBJXHC-JQWIXIFHSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cn(C)nc1C(F)F ZINC000883124416 645849501 /nfs/dbraw/zinc/84/95/01/645849501.db2.gz GHRGGJNBXNZEOO-SECBINFHSA-N 1 0 243.257 0.832 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2coc(C)n2)CC1 ZINC000928652540 645853392 /nfs/dbraw/zinc/85/33/92/645853392.db2.gz BPVHSTRGOJYZAN-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](CC#N)C(F)(F)F)C1 ZINC000928802342 645860593 /nfs/dbraw/zinc/86/05/93/645860593.db2.gz GFPAUFOARYRRJQ-SFYZADRCSA-N 1 0 249.236 0.899 20 30 BCEDRO C#C[C@@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000135167108 645877939 /nfs/dbraw/zinc/87/79/39/645877939.db2.gz CEFNDQQXSIBIBI-SECBINFHSA-N 1 0 230.333 0.022 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCN2CCOC2=O)C1 ZINC000886355522 645885344 /nfs/dbraw/zinc/88/53/44/645885344.db2.gz JUSYYOWEWYOLPP-LLVKDONJSA-N 1 0 222.288 0.784 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1COC[C@@H]1C ZINC000928919893 645893980 /nfs/dbraw/zinc/89/39/80/645893980.db2.gz QQOSYSDYHJWMHX-QWRGUYRKSA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923712725 645949261 /nfs/dbraw/zinc/94/92/61/645949261.db2.gz NGOISLFYWHEBHQ-WDEREUQCSA-N 1 0 244.360 0.434 20 30 BCEDRO C[N@@H+](Cc1ccc(C#N)cc1)C[C@@H](O)CO ZINC000929163886 645982987 /nfs/dbraw/zinc/98/29/87/645982987.db2.gz GYWVSTSDROVFRW-GFCCVEGCSA-N 1 0 220.272 0.343 20 30 BCEDRO C=CC[NH+](CC=C)CC1CN(S(C)(=O)=O)C1 ZINC000929259933 646042654 /nfs/dbraw/zinc/04/26/54/646042654.db2.gz RVDUUINTIXTYTG-UHFFFAOYSA-N 1 0 244.360 0.552 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cccnc1 ZINC000035206497 646087699 /nfs/dbraw/zinc/08/76/99/646087699.db2.gz QKQHAWGHABXBHY-MNOVXSKESA-N 1 0 231.299 0.870 20 30 BCEDRO C[C@H]1COC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925004605 646154956 /nfs/dbraw/zinc/15/49/56/646154956.db2.gz SGXIARLXTCGDQW-JQWIXIFHSA-N 1 0 223.320 0.599 20 30 BCEDRO C[C@@H]1[C@@H]([NH2+]C2CCN(CC#N)CC2)CO[C@H]1C ZINC000925003017 646155938 /nfs/dbraw/zinc/15/59/38/646155938.db2.gz MFQRZNRKNHXIQJ-GVXVVHGQSA-N 1 0 237.347 0.987 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H](n2ccnc2)C1 ZINC000929531047 646178457 /nfs/dbraw/zinc/17/84/57/646178457.db2.gz GMLYWKKZVODYPG-VXGBXAGGSA-N 1 0 234.303 0.795 20 30 BCEDRO C=C1CC[NH+](C[C@@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000929605258 646184267 /nfs/dbraw/zinc/18/42/67/646184267.db2.gz XTVNAHBMKBWSDL-STQMWFEESA-N 1 0 241.331 0.541 20 30 BCEDRO C#CCCC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000925164888 646197934 /nfs/dbraw/zinc/19/79/34/646197934.db2.gz XLVYLDYFFUPEKH-LLVKDONJSA-N 1 0 236.315 0.285 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)C[C@H]1CCCOC1 ZINC000929607299 646198063 /nfs/dbraw/zinc/19/80/63/646198063.db2.gz OMEHKEHOTGHTKT-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925336995 646249070 /nfs/dbraw/zinc/24/90/70/646249070.db2.gz GATQGRHHZQVCCE-UWVGGRQHSA-N 1 0 211.309 0.906 20 30 BCEDRO C=C(C)CN(C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925413982 646268233 /nfs/dbraw/zinc/26/82/33/646268233.db2.gz JYRJFQLKCXBTMM-SNVBAGLBSA-N 1 0 211.309 0.908 20 30 BCEDRO C=C(C)CN(C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925413981 646269323 /nfs/dbraw/zinc/26/93/23/646269323.db2.gz JYRJFQLKCXBTMM-JTQLQIEISA-N 1 0 211.309 0.908 20 30 BCEDRO C#CCN(C(=O)NC[C@H]1CC[N@H+]1C)C1CC1 ZINC000925413153 646269424 /nfs/dbraw/zinc/26/94/24/646269424.db2.gz FGHKSPLFEWOPAT-LLVKDONJSA-N 1 0 221.304 0.498 20 30 BCEDRO Cn1cc(C[C@@H]2CC[N@H+](C[C@H](O)CC#N)C2)cn1 ZINC000929767889 646297578 /nfs/dbraw/zinc/29/75/78/646297578.db2.gz HWHPNLYMVMPHPV-WCQYABFASA-N 1 0 248.330 0.559 20 30 BCEDRO C#CC(=O)N1CCN(c2cc[nH+]cc2)C[C@@H]1C ZINC000925499345 646304521 /nfs/dbraw/zinc/30/45/21/646304521.db2.gz XUYXJEXFJNDSGW-NSHDSACASA-N 1 0 229.283 0.752 20 30 BCEDRO CC(C)CCN(CCC#N)C[C@H](O)[C@H](C)O ZINC000929778310 646305248 /nfs/dbraw/zinc/30/52/48/646305248.db2.gz GKAWYICNGGLTKQ-RYUDHWBXSA-N 1 0 228.336 0.990 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000929788708 646317461 /nfs/dbraw/zinc/31/74/61/646317461.db2.gz SNGAMNMVZRJIAZ-GRYCIOLGSA-N 1 0 209.289 0.745 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H]1C[C@H]2COC[C@H]2O1 ZINC000929788709 646319441 /nfs/dbraw/zinc/31/94/41/646319441.db2.gz SNGAMNMVZRJIAZ-SDDRHHMPSA-N 1 0 209.289 0.745 20 30 BCEDRO C[N@H+](CCOCC1CC1)C[C@H](O)CC#N ZINC000929826772 646340797 /nfs/dbraw/zinc/34/07/97/646340797.db2.gz VXMXROUAEANCJE-LLVKDONJSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CC[C@H](CO)CN[C@H]1CC[NH2+]C1(C)C ZINC000925630906 646368997 /nfs/dbraw/zinc/36/89/97/646368997.db2.gz SJCBXCJIDLYNMT-QWRGUYRKSA-N 1 0 212.337 0.901 20 30 BCEDRO CC(C)[NH2+][C@H]1CCCN(C[C@H](O)CC#N)C1 ZINC000929969080 646382729 /nfs/dbraw/zinc/38/27/29/646382729.db2.gz JARCGYRAFYLHDZ-NWDGAFQWSA-N 1 0 225.336 0.723 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H](c2ncc[nH]2)C1 ZINC000929992854 646387605 /nfs/dbraw/zinc/38/76/05/646387605.db2.gz WUYYHMXIOXWIOZ-GHMZBOCLSA-N 1 0 234.303 0.864 20 30 BCEDRO CC#CC[NH2+][C@@H]1CCOC12CCOCC2 ZINC000925649199 646389381 /nfs/dbraw/zinc/38/93/81/646389381.db2.gz BYELBBZSYQMPKZ-LLVKDONJSA-N 1 0 209.289 0.937 20 30 BCEDRO C=CC[C@@H](CO)N[C@H]1CC[NH2+]C12CCC2 ZINC000925647903 646390364 /nfs/dbraw/zinc/39/03/64/646390364.db2.gz KCBCYQPUIHKUIL-QWRGUYRKSA-N 1 0 210.321 0.798 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H]1CNCCOC1 ZINC000925654192 646392794 /nfs/dbraw/zinc/39/27/94/646392794.db2.gz DLZHEIACXJXGBA-UPJWGTAASA-N 1 0 240.347 0.546 20 30 BCEDRO N#CC[C@@H](O)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000930020939 646397026 /nfs/dbraw/zinc/39/70/26/646397026.db2.gz OPXVHFXJCZPKEQ-LLVKDONJSA-N 1 0 234.303 0.864 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000925692707 646418386 /nfs/dbraw/zinc/41/83/86/646418386.db2.gz AHUWNIWFSHGBTR-GRYCIOLGSA-N 1 0 240.347 0.818 20 30 BCEDRO CNC(=O)CCC[N@H+](C)Cc1cncc(C#N)c1 ZINC000930082060 646423397 /nfs/dbraw/zinc/42/33/97/646423397.db2.gz KCAORZRPWLVHCS-UHFFFAOYSA-N 1 0 246.314 0.911 20 30 BCEDRO N#CCCN1CCN([C@@H]2CC[NH2+]C23CCC3)CC1 ZINC000925728815 646454308 /nfs/dbraw/zinc/45/43/08/646454308.db2.gz WXHACAQTVHHJHS-CYBMUJFWSA-N 1 0 248.374 0.802 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1C[C@H](O)CC#N ZINC000930161142 646466516 /nfs/dbraw/zinc/46/65/16/646466516.db2.gz GBMFYUQKPIBMBL-GMTAPVOTSA-N 1 0 211.309 0.285 20 30 BCEDRO N#Cc1ccc(NCCN[C@@H]2CCC[C@@H]2[NH3+])nc1 ZINC000925892986 646535416 /nfs/dbraw/zinc/53/54/16/646535416.db2.gz JDSIQJGNYYGXCI-NWDGAFQWSA-N 1 0 245.330 0.835 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCOC[C@@H]1C(C)C ZINC000925979319 646551101 /nfs/dbraw/zinc/55/11/01/646551101.db2.gz MDRCJNYAHCZLPB-NEPJUHHUSA-N 1 0 240.347 0.939 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCC1(OC)OC)[C@@H]1CCCO1 ZINC000926211930 646594986 /nfs/dbraw/zinc/59/49/86/646594986.db2.gz WNASRWQLJYCNGN-SDDRHHMPSA-N 1 0 239.315 0.908 20 30 BCEDRO C#C[C@@H]([NH2+]CC1(O)CCC1)[C@H]1CCCO1 ZINC000308899025 711574127 /nfs/dbraw/zinc/57/41/27/711574127.db2.gz BIJKCILELJILSD-GHMZBOCLSA-N 1 0 209.289 0.672 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]2[C@@H]1CCCN2CCO ZINC000934261254 711579316 /nfs/dbraw/zinc/57/93/16/711579316.db2.gz DJGJDURTNBTLHD-STQMWFEESA-N 1 0 222.332 0.541 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)C(C)(C)OC ZINC000309645032 711659686 /nfs/dbraw/zinc/65/96/86/711659686.db2.gz LXSPQOYMHFGHIY-SNVBAGLBSA-N 1 0 249.376 0.990 20 30 BCEDRO C[C@@H](C#N)OCCN1CC[N@H+](C)[C@@H](C)C1 ZINC000393726523 711676819 /nfs/dbraw/zinc/67/68/19/711676819.db2.gz DAUUFQWYNSSGFC-QWRGUYRKSA-N 1 0 211.309 0.551 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H](C)SC)CC1 ZINC000989967707 711799069 /nfs/dbraw/zinc/79/90/69/711799069.db2.gz NOJAJPISMDQPKH-SNVBAGLBSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000161186990 711810951 /nfs/dbraw/zinc/81/09/51/711810951.db2.gz MHMIXEAMZJSQOE-JTQLQIEISA-N 1 0 215.318 0.567 20 30 BCEDRO CC(=O)OC(C)(C)C(=O)NCC#CC[NH+](C)C ZINC000913520916 711823878 /nfs/dbraw/zinc/82/38/78/711823878.db2.gz DFDCAOQJKCJWLE-UHFFFAOYSA-N 1 0 240.303 0.009 20 30 BCEDRO Cc1cc(C(=O)NCC#CC[NH+](C)C)cnn1 ZINC000913521041 711823985 /nfs/dbraw/zinc/82/39/85/711823985.db2.gz JCWJGVMUIHIPLN-UHFFFAOYSA-N 1 0 232.287 0.080 20 30 BCEDRO C#C[C@H](C)[NH2+][C@@H]1CCC[C@H](S(C)(=O)=O)C1 ZINC000166711336 711827297 /nfs/dbraw/zinc/82/72/97/711827297.db2.gz LIPSKFPBBOCPSO-AXFHLTTASA-N 1 0 229.345 0.954 20 30 BCEDRO C#C[C@H]1COCCN1CC[C@@H]1CCC[N@H+]1C ZINC000491662366 711850127 /nfs/dbraw/zinc/85/01/27/711850127.db2.gz QSBKICNPSLUHLT-STQMWFEESA-N 1 0 222.332 0.805 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001077524060 711856915 /nfs/dbraw/zinc/85/69/15/711856915.db2.gz USZBXIRQQHOQEF-NNYUYHANSA-N 1 0 238.331 0.380 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cccnn1 ZINC000701771030 712029008 /nfs/dbraw/zinc/02/90/08/712029008.db2.gz JLYFNAJYEHQIQX-UHFFFAOYSA-N 1 0 232.287 0.162 20 30 BCEDRO C#CCC[NH+]1CCC(N2CCOCC2)CC1 ZINC000701967557 712033877 /nfs/dbraw/zinc/03/38/77/712033877.db2.gz DZFJOXDNSOCCIY-UHFFFAOYSA-N 1 0 222.332 0.806 20 30 BCEDRO C=C1CCN(C(=O)[C@@H](N)C[NH+](C)C)CC1 ZINC000702398200 712048620 /nfs/dbraw/zinc/04/86/20/712048620.db2.gz VNWNGAYHSNXMNE-JTQLQIEISA-N 1 0 211.309 0.054 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(F)F)C[C@H]1C ZINC001035880027 712146362 /nfs/dbraw/zinc/14/63/62/712146362.db2.gz XWLMWJJMAMABRU-BDAKNGLRSA-N 1 0 230.258 0.711 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@H]1C[C@H]([NH3+])C1 ZINC000707280604 712168190 /nfs/dbraw/zinc/16/81/90/712168190.db2.gz SYVUMBLMBYZPHQ-MGCOHNPYSA-N 1 0 240.303 0.301 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)CCC[NH3+] ZINC000707269994 712167570 /nfs/dbraw/zinc/16/75/70/712167570.db2.gz PWGVZSBQMHJPPJ-UHFFFAOYSA-N 1 0 228.292 0.303 20 30 BCEDRO C#CCCS(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000711065482 712278390 /nfs/dbraw/zinc/27/83/90/712278390.db2.gz PUJQOBXRCVWAIV-QWRGUYRKSA-N 1 0 244.360 0.364 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2(C)CC2)C1 ZINC001079743383 712350598 /nfs/dbraw/zinc/35/05/98/712350598.db2.gz NDOKEKNMUIHRTB-GHMZBOCLSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCC[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000378732010 712359823 /nfs/dbraw/zinc/35/98/23/712359823.db2.gz LIGAILJPUPETGE-STQMWFEESA-N 1 0 223.316 0.919 20 30 BCEDRO N#CCCOCC[NH2+]C1(C(N)=O)CCCC1 ZINC000378775691 712360462 /nfs/dbraw/zinc/36/04/62/712360462.db2.gz HMHIPCOGMLRYPZ-UHFFFAOYSA-N 1 0 225.292 0.304 20 30 BCEDRO CC(=[NH+]NC[C@H](C)O)c1ccc(N)cc1 ZINC000378860314 712363623 /nfs/dbraw/zinc/36/36/23/712363623.db2.gz ORTAVABETPKXRU-QMMMGPOBSA-N 1 0 207.277 0.963 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cc(N)ccc1F ZINC000378863549 712364551 /nfs/dbraw/zinc/36/45/51/712364551.db2.gz VSTJRATYSLIECW-UHFFFAOYSA-N 1 0 209.228 0.615 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1CC(SC)C1 ZINC000706866648 712372123 /nfs/dbraw/zinc/37/21/23/712372123.db2.gz OPISLYCHCKCJSD-UHFFFAOYSA-N 1 0 214.334 0.772 20 30 BCEDRO CC[N@H+](CCCO)CCO[C@H](C)C#N ZINC000379486011 712385670 /nfs/dbraw/zinc/38/56/70/712385670.db2.gz IQDXGQNBDQGCKS-SNVBAGLBSA-N 1 0 200.282 0.619 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](CSC)C1 ZINC000390209098 712388673 /nfs/dbraw/zinc/38/86/73/712388673.db2.gz UGBKUUJGMZYABD-LLVKDONJSA-N 1 0 240.372 0.811 20 30 BCEDRO C[C@H](C#N)OCC[NH2+]C1(CO)CCCC1 ZINC000379778649 712398820 /nfs/dbraw/zinc/39/88/20/712398820.db2.gz BGBOXMVXZLBMKC-SNVBAGLBSA-N 1 0 212.293 0.810 20 30 BCEDRO CC[C@H](C)[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000772981820 712414733 /nfs/dbraw/zinc/41/47/33/712414733.db2.gz GKLKLXOZFGNTBX-ASGQQMQCSA-N 1 0 237.303 0.901 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNc1ccnc(C#N)n1 ZINC000712571014 712447748 /nfs/dbraw/zinc/44/77/48/712447748.db2.gz UJYYRXCYFPARHO-SECBINFHSA-N 1 0 217.276 0.276 20 30 BCEDRO C=CCOCCCNC(=O)[C@@]12C[C@@H]1C[C@@H]([NH3+])C2 ZINC000713274907 712457886 /nfs/dbraw/zinc/45/78/86/712457886.db2.gz MEYAXUSCNCDRLA-DMDPSCGWSA-N 1 0 238.331 0.823 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cn(CC)nn1 ZINC000714927679 712500294 /nfs/dbraw/zinc/50/02/94/712500294.db2.gz JVHDTPXHLQQSGP-SECBINFHSA-N 1 0 210.281 0.325 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715079845 712506749 /nfs/dbraw/zinc/50/67/49/712506749.db2.gz AIAFCPSRNMDHEZ-ZJUUUORDSA-N 1 0 215.293 0.665 20 30 BCEDRO C=CCOCC[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715082542 712507228 /nfs/dbraw/zinc/50/72/28/712507228.db2.gz RFDNFVZHKOTXHP-JTQLQIEISA-N 1 0 215.293 0.930 20 30 BCEDRO N#CCCCNC(=O)C12CC[NH+](CC1)C2 ZINC000715821796 712533965 /nfs/dbraw/zinc/53/39/65/712533965.db2.gz ZFUDHZOUVVIFLA-UHFFFAOYSA-N 1 0 207.277 0.502 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000716857216 712578870 /nfs/dbraw/zinc/57/88/70/712578870.db2.gz PVUKUPTXGAKOMN-OLZOCXBDSA-N 1 0 240.347 0.335 20 30 BCEDRO CC[N@@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000837405198 712601730 /nfs/dbraw/zinc/60/17/30/712601730.db2.gz QLQDCXKKCMMHJW-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO COC[C@H]([NH2+]CCO[C@H](C)C#N)C1CC1 ZINC000379914738 712625152 /nfs/dbraw/zinc/62/51/52/712625152.db2.gz BCZPERQNCLBIRR-KOLCDFICSA-N 1 0 212.293 0.930 20 30 BCEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC1(CO)COC1 ZINC000717615837 712662273 /nfs/dbraw/zinc/66/22/73/712662273.db2.gz CBMMDEQKGROKOE-JTQLQIEISA-N 1 0 226.320 0.913 20 30 BCEDRO CCn1ccnc(NCC#CC[NH+](C)C)c1=O ZINC000717606943 712662474 /nfs/dbraw/zinc/66/24/74/712662474.db2.gz UOHROPWNECXODW-UHFFFAOYSA-N 1 0 234.303 0.240 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NCC#CC[NH+](C)C ZINC000717665447 712663813 /nfs/dbraw/zinc/66/38/13/712663813.db2.gz GESVTYOHVOTKRN-LBPRGKRZSA-N 1 0 221.304 0.607 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000717698737 712665359 /nfs/dbraw/zinc/66/53/59/712665359.db2.gz JWKHQLQHUNHZQY-DDHJBXDOSA-N 1 0 227.304 0.153 20 30 BCEDRO C#CC[C@H](CO)[NH2+]CC1(OC)CCCC1 ZINC000717709667 712666161 /nfs/dbraw/zinc/66/61/61/712666161.db2.gz JPZKAKMFNCHRHY-LLVKDONJSA-N 1 0 211.305 0.919 20 30 BCEDRO C#CC[C@H](CO)[NH2+]CC1(COC)CCC1 ZINC000717728731 712667637 /nfs/dbraw/zinc/66/76/37/712667637.db2.gz QYPYFOXLDNSMJF-LLVKDONJSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc(C)n1C ZINC000717739916 712668718 /nfs/dbraw/zinc/66/87/18/712668718.db2.gz KJTWYMMPIMDBBH-SNVBAGLBSA-N 1 0 207.277 0.202 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccnc(C)c1 ZINC000717740452 712668370 /nfs/dbraw/zinc/66/83/70/712668370.db2.gz PSAKCBOZUDJGDG-GFCCVEGCSA-N 1 0 204.273 0.864 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)c1cnccn1 ZINC000717813194 712681045 /nfs/dbraw/zinc/68/10/45/712681045.db2.gz HNZMVOPGQGVLDQ-WDEREUQCSA-N 1 0 219.288 0.902 20 30 BCEDRO C#CCOCC[NH2+][C@H](C)Cn1cccn1 ZINC000380141577 712699171 /nfs/dbraw/zinc/69/91/71/712699171.db2.gz VSVOHFUHJHJIOJ-LLVKDONJSA-N 1 0 207.277 0.511 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@H]1CC ZINC000380183202 712706491 /nfs/dbraw/zinc/70/64/91/712706491.db2.gz MPXDIJMUUKDXQE-MNOVXSKESA-N 1 0 208.305 0.904 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1CC ZINC000380183191 712706516 /nfs/dbraw/zinc/70/65/16/712706516.db2.gz MPXDIJMUUKDXQE-GHMZBOCLSA-N 1 0 208.305 0.904 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CCC[C@@H](CO)CC1 ZINC000930590696 712712896 /nfs/dbraw/zinc/71/28/96/712712896.db2.gz XAWIMIHYUQJNMV-GHMZBOCLSA-N 1 0 212.293 0.355 20 30 BCEDRO C[C@@H]1[C@@H](Nc2nccnc2C#N)CC[N@@H+]1C ZINC000719604451 712815944 /nfs/dbraw/zinc/81/59/44/712815944.db2.gz VSWNNPNBXVKNOV-BDAKNGLRSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@H]1[C@H](Nc2cnc(C#N)cn2)CC[N@@H+]1C ZINC000719603904 712815971 /nfs/dbraw/zinc/81/59/71/712815971.db2.gz ULQQUWXGEBZZQK-WCBMZHEXSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@@H]1[C@H](Nc2cncc(C#N)n2)CC[N@@H+]1C ZINC000719772575 712823830 /nfs/dbraw/zinc/82/38/30/712823830.db2.gz BFCSWEOYGBOIDQ-PSASIEDQSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@H]1[C@H](Nc2ccncc2C#N)CC[N@@H+]1C ZINC000719774524 712823833 /nfs/dbraw/zinc/82/38/33/712823833.db2.gz QVMCNJZOGHGVKY-GXSJLCMTSA-N 1 0 216.288 0.880 20 30 BCEDRO COC[C@H]([NH2+]CC(=O)NCCC#N)C1CC1 ZINC000381349466 710624783 /nfs/dbraw/zinc/62/47/83/710624783.db2.gz ARJJEYOWKBAMLZ-JTQLQIEISA-N 1 0 225.292 0.031 20 30 BCEDRO C#CCSCC[NH2+][C@H]1CCN(CCOC)C1 ZINC000381413561 710634508 /nfs/dbraw/zinc/63/45/08/710634508.db2.gz VHCVWVQUHSZICG-LBPRGKRZSA-N 1 0 242.388 0.663 20 30 BCEDRO N#CC[C@@H](O)C[NH2+]C1(C(N)=O)CCCCC1 ZINC000381485691 710644614 /nfs/dbraw/zinc/64/46/14/710644614.db2.gz IEQLYDDIWJQULB-SECBINFHSA-N 1 0 225.292 0.039 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCS1 ZINC000381483115 710645315 /nfs/dbraw/zinc/64/53/15/710645315.db2.gz FZXZIGUNZPIUFY-HLTSFMKQSA-N 1 0 225.317 0.110 20 30 BCEDRO CC#CCN1CC[C@@H]1CNC(=O)c1cnccn1 ZINC001038021456 712898755 /nfs/dbraw/zinc/89/87/55/712898755.db2.gz ONBWDTCWFHZZCN-LLVKDONJSA-N 1 0 244.298 0.304 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CC2CCC1CC2 ZINC000381624258 710663346 /nfs/dbraw/zinc/66/33/46/710663346.db2.gz HQWOQNVDAPSFKU-HTAVTVPLSA-N 1 0 220.316 0.904 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001038029375 712899491 /nfs/dbraw/zinc/89/94/91/712899491.db2.gz ZPDGBSOXGMRDRS-WDEREUQCSA-N 1 0 224.304 0.542 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)/C(C)=C/C)C1 ZINC001018695861 710667900 /nfs/dbraw/zinc/66/79/00/710667900.db2.gz MDQBMSWMKFVUHL-UAWPZABVSA-N 1 0 206.289 0.776 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001020001641 710673795 /nfs/dbraw/zinc/67/37/95/710673795.db2.gz QVEDYFITLXFWHF-XYPYZODXSA-N 1 0 234.303 0.836 20 30 BCEDRO C#CCCN1CC[C@@H]1CNC(=O)c1ccns1 ZINC001038307307 710682773 /nfs/dbraw/zinc/68/27/73/710682773.db2.gz AFCNKUMQKDQMSO-SNVBAGLBSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001038289857 710682915 /nfs/dbraw/zinc/68/29/15/710682915.db2.gz QVWHYRJVGXWVSY-GFCCVEGCSA-N 1 0 231.299 0.842 20 30 BCEDRO C#CCN1CC[C@@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001038416765 710685691 /nfs/dbraw/zinc/68/56/91/710685691.db2.gz LLMFEHUMMGUXDL-CHWSQXEVSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)C1CCOCC1 ZINC000381728502 710688534 /nfs/dbraw/zinc/68/85/34/710688534.db2.gz MYTNGHRTNPMPIO-JTQLQIEISA-N 1 0 224.304 0.141 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cnon1 ZINC001038841169 710709038 /nfs/dbraw/zinc/70/90/38/710709038.db2.gz XGUMEGOYAGCJBG-VIFPVBQESA-N 1 0 236.275 0.450 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cccnn1 ZINC001038844581 710712192 /nfs/dbraw/zinc/71/21/92/710712192.db2.gz LTUNZXJBAANJDV-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO CCC[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000393790637 710719687 /nfs/dbraw/zinc/71/96/87/710719687.db2.gz LSPPANBBFUDXPJ-GUBZILKMSA-N 1 0 209.293 0.650 20 30 BCEDRO CC(=[NH+]N1CCOCC1)c1ccc(N)nc1 ZINC000382148562 710799646 /nfs/dbraw/zinc/79/96/46/710799646.db2.gz OTYUEHZZPLUJGR-UHFFFAOYSA-N 1 0 220.276 0.550 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NCCC#N ZINC000384179860 710805625 /nfs/dbraw/zinc/80/56/25/710805625.db2.gz PQCAMJIPUILPGX-NSHDSACASA-N 1 0 207.277 0.408 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)CN(C)CCOC ZINC000384207540 710831617 /nfs/dbraw/zinc/83/16/17/710831617.db2.gz NUHFTSTURGARAS-CHWSQXEVSA-N 1 0 242.363 0.317 20 30 BCEDRO C#CCCN1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044291866 710822952 /nfs/dbraw/zinc/82/29/52/710822952.db2.gz GJLRNAGWWRYPQN-GFCCVEGCSA-N 1 0 249.358 0.104 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@H](C)C1 ZINC001044517240 710827970 /nfs/dbraw/zinc/82/79/70/710827970.db2.gz GHBUQQZINSVLPM-NXEZZACHSA-N 1 0 239.319 0.017 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)cn2)C1 ZINC001046239008 710856655 /nfs/dbraw/zinc/85/66/55/710856655.db2.gz MVDIMDDISNNMHR-CYBMUJFWSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ncn(C)n2)C1 ZINC001046286252 710858604 /nfs/dbraw/zinc/85/86/04/710858604.db2.gz UNSDXUZFELFYFZ-GFCCVEGCSA-N 1 0 249.318 0.195 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2ncc[nH]2)C1 ZINC001046306875 710859337 /nfs/dbraw/zinc/85/93/37/710859337.db2.gz XFKRIKAPKHBEMK-CYBMUJFWSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2c[nH]nc2C)C1 ZINC001046526035 710861306 /nfs/dbraw/zinc/86/13/06/710861306.db2.gz NKCJSNADSQNBJP-CYBMUJFWSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046698058 710864522 /nfs/dbraw/zinc/86/45/22/710864522.db2.gz BKDSCESHMULJEU-GFCCVEGCSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CCN1CC[C@](C)(NC(=O)c2nccs2)C1 ZINC001046728876 710865462 /nfs/dbraw/zinc/86/54/62/710865462.db2.gz KQJNMGQDMVRFGM-LBPRGKRZSA-N 1 0 249.339 0.971 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C1 ZINC001047308821 710869702 /nfs/dbraw/zinc/86/97/02/710869702.db2.gz RLDWLOSAWOHKQE-RYUDHWBXSA-N 1 0 240.347 0.722 20 30 BCEDRO C=CC[N@H+]1C[C@H]2CN(C(=O)c3cnon3)C[C@H]2C1 ZINC001049121434 710894938 /nfs/dbraw/zinc/89/49/38/710894938.db2.gz LXTQQXVHSIAGRK-AOOOYVTPSA-N 1 0 248.286 0.259 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CCCO3)C[C@H]2C1 ZINC001048667361 710884436 /nfs/dbraw/zinc/88/44/36/710884436.db2.gz ZKNCSBLFKJGUDO-XQQFMLRXSA-N 1 0 248.326 0.189 20 30 BCEDRO C=CC[N@H+]1C[C@H]2CN(C(=O)c3cn[nH]c3)C[C@H]2C1 ZINC001048698028 710886747 /nfs/dbraw/zinc/88/67/47/710886747.db2.gz UACODOOPMGLINY-TXEJJXNPSA-N 1 0 246.314 0.600 20 30 BCEDRO C=CC[N@H+]1C[C@H]2CN(C(=O)c3cocn3)C[C@H]2C1 ZINC001048722517 710887344 /nfs/dbraw/zinc/88/73/44/710887344.db2.gz IIGOHROGXDNWFI-PHIMTYICSA-N 1 0 247.298 0.864 20 30 BCEDRO CC(C)[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048725638 710887497 /nfs/dbraw/zinc/88/74/97/710887497.db2.gz UYOXWJFMWDDYIN-SDDRHHMPSA-N 1 0 235.331 0.945 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)COC)C[C@H]1C ZINC001054302324 710925311 /nfs/dbraw/zinc/92/53/11/710925311.db2.gz XFDRRMJQADZWTD-GHMZBOCLSA-N 1 0 226.320 0.645 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(C)(C)F)C[C@H]1C ZINC001054315268 710928396 /nfs/dbraw/zinc/92/83/96/710928396.db2.gz FDHFYVKFNVVBSQ-NXEZZACHSA-N 1 0 226.295 0.804 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cnccn2)C[C@H]1C ZINC001054344167 710930151 /nfs/dbraw/zinc/93/01/51/710930151.db2.gz AXMSZRBRSNNJSE-PWSUYJOCSA-N 1 0 244.298 0.160 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cnccn2)C[C@H]1C ZINC001054346577 710930286 /nfs/dbraw/zinc/93/02/86/710930286.db2.gz XSRAJUBUCCOPSL-PWSUYJOCSA-N 1 0 246.314 0.713 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@H]1C ZINC001054346578 710930702 /nfs/dbraw/zinc/93/07/02/710930702.db2.gz XSRAJUBUCCOPSL-ZYHUDNBSSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc(C)on2)C[C@H]1C ZINC001054360137 710930758 /nfs/dbraw/zinc/93/07/58/710930758.db2.gz BAKRZJBIKKHVEY-SKDRFNHKSA-N 1 0 247.298 0.666 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1C ZINC001054440817 710934797 /nfs/dbraw/zinc/93/47/97/710934797.db2.gz SWEZIUABOKVJGB-ONGXEEELSA-N 1 0 232.287 0.093 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cn[nH]c2)C[C@@H]1C ZINC001054439750 710934860 /nfs/dbraw/zinc/93/48/60/710934860.db2.gz QMICFZHOOSRVPR-GXSJLCMTSA-N 1 0 234.303 0.646 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@H]1C ZINC001054468298 710935808 /nfs/dbraw/zinc/93/58/08/710935808.db2.gz AVRVWNXWWWVDNW-GHMZBOCLSA-N 1 0 248.330 0.656 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C ZINC001054502579 710936052 /nfs/dbraw/zinc/93/60/52/710936052.db2.gz UHJIBFVRGHGQEE-ZYHUDNBSSA-N 1 0 248.330 0.575 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC001054471742 710936100 /nfs/dbraw/zinc/93/61/00/710936100.db2.gz YXPCSUQABQZZOY-SKDRFNHKSA-N 1 0 246.314 0.401 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1C ZINC001054476760 710936513 /nfs/dbraw/zinc/93/65/13/710936513.db2.gz ABXQNXLSMBMHPF-SKDRFNHKSA-N 1 0 246.314 0.401 20 30 BCEDRO CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001054536074 710937133 /nfs/dbraw/zinc/93/71/33/710937133.db2.gz YQYNZTAXMMPRJV-BXKDBHETSA-N 1 0 246.314 0.956 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2ncn(C)n2)C[C@@H]1C ZINC001054620645 710939090 /nfs/dbraw/zinc/93/90/90/710939090.db2.gz QLJGKWSTNIKJIR-VHSXEESVSA-N 1 0 249.318 0.051 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cncnc2)C[C@@H]1C ZINC001054589002 710939272 /nfs/dbraw/zinc/93/92/72/710939272.db2.gz MHNXOIDYVYAXSR-JQWIXIFHSA-N 1 0 246.314 0.713 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1C ZINC001054954054 710942159 /nfs/dbraw/zinc/94/21/59/710942159.db2.gz NCVPETPGTGUFSM-CABZTGNLSA-N 1 0 248.330 0.954 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1C ZINC001054953468 710942484 /nfs/dbraw/zinc/94/24/84/710942484.db2.gz FNIQOHALQRKOAM-CABZTGNLSA-N 1 0 246.314 0.401 20 30 BCEDRO C=CCN1CC[NH+]([C@H]2CCN(C(C)=O)C2)CC1 ZINC001051955710 710960567 /nfs/dbraw/zinc/96/05/67/710960567.db2.gz FSQVMLFDMKEVNT-ZDUSSCGKSA-N 1 0 237.347 0.411 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)c2cocn2)CC1 ZINC001052239547 710963715 /nfs/dbraw/zinc/96/37/15/710963715.db2.gz BMAOXVAAFYAHQM-NSHDSACASA-N 1 0 247.298 0.892 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)c2ccn[nH]2)CC1 ZINC001052222767 710964230 /nfs/dbraw/zinc/96/42/30/710964230.db2.gz LUNIRWHSSADDCV-LLVKDONJSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@](C)(C#C)CC ZINC000384144751 710989905 /nfs/dbraw/zinc/98/99/05/710989905.db2.gz FFTXIBCOZQJVCL-JQWIXIFHSA-N 1 0 206.289 0.516 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000388194424 711053597 /nfs/dbraw/zinc/05/35/97/711053597.db2.gz NOHHVKYNDSHDMH-VHSXEESVSA-N 1 0 212.293 0.618 20 30 BCEDRO C=C(C)C[NH2+]C1(CO)COC(C)(C)OC1 ZINC000389957937 711101404 /nfs/dbraw/zinc/10/14/04/711101404.db2.gz UYRFOXPEJXWCJC-UHFFFAOYSA-N 1 0 215.293 0.666 20 30 BCEDRO Cc1cc(NCCCCC#N)nc(N)[nH+]1 ZINC000389749985 711089912 /nfs/dbraw/zinc/08/99/12/711089912.db2.gz YNNJQXAAKRIBOF-UHFFFAOYSA-N 1 0 205.265 0.725 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CN(C(C)=O)C[C@@H]1n1ccnn1 ZINC001070111249 711113099 /nfs/dbraw/zinc/11/30/99/711113099.db2.gz AGZJNWZALFBEFF-NEPJUHHUSA-N 1 0 249.318 0.216 20 30 BCEDRO COCCOCC[N@H+](C)CCO[C@H](C)C#N ZINC000390685605 711132216 /nfs/dbraw/zinc/13/22/16/711132216.db2.gz ZWWKKELLWDOPFR-LLVKDONJSA-N 1 0 230.308 0.510 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(C)=O)C[C@H]1c1cncn1C ZINC001070606030 711143269 /nfs/dbraw/zinc/14/32/69/711143269.db2.gz HUHPJQUCAGSUJV-VXGBXAGGSA-N 1 0 248.330 0.510 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CCOC1 ZINC000392772029 711151157 /nfs/dbraw/zinc/15/11/57/711151157.db2.gz SJDTXXKHMLSZBI-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO CCNC(NCc1nnc(C)n1C)=[NH+]CC ZINC000393090261 711154853 /nfs/dbraw/zinc/15/48/53/711154853.db2.gz RRIAYGJHSQUFCZ-UHFFFAOYSA-N 1 0 224.312 0.199 20 30 BCEDRO N#CCCOCC[NH2+]C1(CO)CCCC1 ZINC000393466954 711160233 /nfs/dbraw/zinc/16/02/33/711160233.db2.gz MAYNVQHEPGHSAU-UHFFFAOYSA-N 1 0 212.293 0.811 20 30 BCEDRO C=CCNC(=S)N[C@@H](C)C[NH+](C)C ZINC000393569220 711164665 /nfs/dbraw/zinc/16/46/65/711164665.db2.gz SKHXBEUJGFKYAL-QMMMGPOBSA-N 1 0 201.339 0.587 20 30 BCEDRO C=CC[N@H+]1CC[C@]2(C1)CN(C(C)=O)C[C@@H](C)O2 ZINC001071107744 711167067 /nfs/dbraw/zinc/16/70/67/711167067.db2.gz KFYCPNJRHDWKGZ-YPMHNXCESA-N 1 0 238.331 0.884 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000393787951 711175162 /nfs/dbraw/zinc/17/51/62/711175162.db2.gz GLBCVZLJWVJEMI-HBNTYKKESA-N 1 0 212.293 0.930 20 30 BCEDRO CCNC(NCC1(CC)COC1)=[NH+]CC ZINC000394002699 711181894 /nfs/dbraw/zinc/18/18/94/711181894.db2.gz ZHWFXKDKPVGGGT-UHFFFAOYSA-N 1 0 213.325 0.988 20 30 BCEDRO C#CC[N@H+]1C[C@@H](NC(=O)C2CC2)CC[C@H]1C ZINC001071291879 711186277 /nfs/dbraw/zinc/18/62/77/711186277.db2.gz QMNINTBETWAGFZ-PWSUYJOCSA-N 1 0 220.316 0.999 20 30 BCEDRO CN1CCC[NH+]=C1NCCCCCCO ZINC000395076006 711201007 /nfs/dbraw/zinc/20/10/07/711201007.db2.gz MMJWWYNWGLKTII-UHFFFAOYSA-N 1 0 213.325 0.820 20 30 BCEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071788710 711202672 /nfs/dbraw/zinc/20/26/72/711202672.db2.gz JGZDMLQLGFAUQA-ZJUUUORDSA-N 1 0 239.319 0.017 20 30 BCEDRO CCNC(NCCSCCCO)=[NH+]CC ZINC000395527411 711212306 /nfs/dbraw/zinc/21/23/06/711212306.db2.gz DBQDYNJUOWDVBW-UHFFFAOYSA-N 1 0 233.381 0.677 20 30 BCEDRO CCNC(NCC(F)(F)CO)=[NH+]CC ZINC000395957459 711218900 /nfs/dbraw/zinc/21/89/00/711218900.db2.gz ILBQRJNMPHBOGD-UHFFFAOYSA-N 1 0 209.240 0.189 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H](O)CC[C@@H]1C ZINC000399175629 711423694 /nfs/dbraw/zinc/42/36/94/711423694.db2.gz QBKOOLUOEOMVGN-AXFHLTTASA-N 1 0 212.293 0.760 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@@H](C)C[C@H]1CC ZINC000399496067 711429890 /nfs/dbraw/zinc/42/98/90/711429890.db2.gz JJHMNBNMHOAGKL-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC001010672768 710593540 /nfs/dbraw/zinc/59/35/40/710593540.db2.gz WMJNLFJBXVOLBL-LLVKDONJSA-N 1 0 244.298 0.876 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014867559 710612043 /nfs/dbraw/zinc/61/20/43/710612043.db2.gz GCWJNFVUAUQVEF-VIFPVBQESA-N 1 0 248.286 0.172 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001019997468 710673229 /nfs/dbraw/zinc/67/32/29/710673229.db2.gz HPYHVYRPCRPKTI-IJLUTSLNSA-N 1 0 246.314 0.314 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001038521867 710692974 /nfs/dbraw/zinc/69/29/74/710692974.db2.gz ONPOLPTWIMGHFI-NSHDSACASA-N 1 0 249.289 0.981 20 30 BCEDRO CC#CCN1CC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001038598793 710697052 /nfs/dbraw/zinc/69/70/52/710697052.db2.gz XWKFLAZIEYONKQ-GRYCIOLGSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038607988 710699260 /nfs/dbraw/zinc/69/92/60/710699260.db2.gz NUFLHYUPODPJRH-NDBYEHHHSA-N 1 0 248.326 0.093 20 30 BCEDRO C#CC[NH+]1CCC(C)(NC(=O)c2cnco2)CC1 ZINC001045516171 710839741 /nfs/dbraw/zinc/83/97/41/710839741.db2.gz HJSONZGDTXQHEY-UHFFFAOYSA-N 1 0 247.298 0.892 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](N2CCN(C(C)=O)CC2)C1 ZINC001045993367 710843636 /nfs/dbraw/zinc/84/36/36/710843636.db2.gz VWNFQZMOQZAXSZ-CQSZACIVSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2ccc[nH]2)C1 ZINC001046139072 710851515 /nfs/dbraw/zinc/85/15/15/710851515.db2.gz BMDWSDZWGBXBKS-CYBMUJFWSA-N 1 0 231.299 0.842 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H](O)[C@@H](N(C)C(C)=O)C1 ZINC001047269921 710869220 /nfs/dbraw/zinc/86/92/20/710869220.db2.gz MZTSMBWNTKONQA-QWRGUYRKSA-N 1 0 212.293 0.086 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cn2cccn2)C[C@H]1C ZINC001054385604 710933123 /nfs/dbraw/zinc/93/31/23/710933123.db2.gz MMTRBXYMBQUSHG-VXGBXAGGSA-N 1 0 248.330 0.506 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2ccon2)C[C@H]1C ZINC001054431896 710934635 /nfs/dbraw/zinc/93/46/35/710934635.db2.gz XVPQMUBEWQIYEP-KOLCDFICSA-N 1 0 235.287 0.911 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001054843727 710941388 /nfs/dbraw/zinc/94/13/88/710941388.db2.gz BUEOAMZNCPFMCT-KOLCDFICSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH+]1CCC2(CN(C(C)=O)C2)CC1 ZINC001050393893 710952352 /nfs/dbraw/zinc/95/23/52/710952352.db2.gz MVQNJXSWEMQCEU-UHFFFAOYSA-N 1 0 206.289 0.564 20 30 BCEDRO COCC(COC)[NH+]1CCC(C#N)CC1 ZINC000384901857 711000385 /nfs/dbraw/zinc/00/03/85/711000385.db2.gz ARHPXTIFYKLKQU-UHFFFAOYSA-N 1 0 212.293 0.883 20 30 BCEDRO C#CCN1C[C@@H](NC(=O)c2cn[nH]c2)CC[C@H]1C ZINC001071369023 711190036 /nfs/dbraw/zinc/19/00/36/711190036.db2.gz LKPPPDQTTHBPHH-PWSUYJOCSA-N 1 0 246.314 0.626 20 30 BCEDRO CNC(NCc1cnc(C)cc1C)=[NH+]C ZINC000397040450 711375409 /nfs/dbraw/zinc/37/54/09/711375409.db2.gz VMSHZLSEZMJFNK-UHFFFAOYSA-N 1 0 206.293 0.993 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CCOC3)C2)C1 ZINC001072530044 711378698 /nfs/dbraw/zinc/37/86/98/711378698.db2.gz HKOXAZSGGJHZRP-GFCCVEGCSA-N 1 0 248.326 0.190 20 30 BCEDRO CCNC(NCC[C@H](C)CCO)=[NH+]CC ZINC000397747017 711390942 /nfs/dbraw/zinc/39/09/42/711390942.db2.gz NMZZEPLWWFCGDE-JTQLQIEISA-N 1 0 215.341 0.970 20 30 BCEDRO C=CC[N@@H+]1CCCO[C@H](CNC(C)=O)C1 ZINC001073499202 711440806 /nfs/dbraw/zinc/44/08/06/711440806.db2.gz GAHCOHFTMSTYHY-LLVKDONJSA-N 1 0 212.293 0.399 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]1CSC ZINC000399989776 711438107 /nfs/dbraw/zinc/43/81/07/711438107.db2.gz FQVIRUQFCKYKTR-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)SC)[C@H]1C ZINC001074535096 711443067 /nfs/dbraw/zinc/44/30/67/711443067.db2.gz MDQMYEKMLPLRBB-DCAQKATOSA-N 1 0 240.372 0.950 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccnnc2C)C1 ZINC000969212237 711451686 /nfs/dbraw/zinc/45/16/86/711451686.db2.gz ZRMRUAFDVDOBOE-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCC1(OC)OC ZINC000710954732 711452967 /nfs/dbraw/zinc/45/29/67/711452967.db2.gz BIQGKOVATWUARV-JTQLQIEISA-N 1 0 215.293 0.930 20 30 BCEDRO C#CCCS(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000711065479 711455705 /nfs/dbraw/zinc/45/57/05/711455705.db2.gz PUJQOBXRCVWAIV-GHMZBOCLSA-N 1 0 244.360 0.364 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC000971024960 711494574 /nfs/dbraw/zinc/49/45/74/711494574.db2.gz KZDUEHMPQWCYHE-VXGBXAGGSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC(C)C2)C1 ZINC001021950935 711511069 /nfs/dbraw/zinc/51/10/69/711511069.db2.gz PGPXLHGVDZTFRM-CAODYFQJSA-N 1 0 220.316 0.903 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000971502181 711521535 /nfs/dbraw/zinc/52/15/35/711521535.db2.gz MPSXCSXCNRFTKE-SNVBAGLBSA-N 1 0 232.287 0.189 20 30 BCEDRO Cc1nc(C#N)cc(NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000308328793 711522011 /nfs/dbraw/zinc/52/20/11/711522011.db2.gz JBEBFKPSOXJNNK-GFCCVEGCSA-N 1 0 249.318 0.381 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001022052693 711523363 /nfs/dbraw/zinc/52/33/63/711523363.db2.gz YOLXMCKJGODKFX-HRDYMLBCSA-N 1 0 228.242 0.512 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001022052694 711523331 /nfs/dbraw/zinc/52/33/31/711523331.db2.gz YOLXMCKJGODKFX-YIZRAAEISA-N 1 0 228.242 0.512 20 30 BCEDRO C=C(Br)C[NH2+]CCC(N)=O ZINC000037681375 711585306 /nfs/dbraw/zinc/58/53/06/711585306.db2.gz UHPUQADAABVVAF-UHFFFAOYSA-N 1 0 207.071 0.360 20 30 BCEDRO C#CC1(O)CN(Cc2nc(C)c(C)[nH]2)C1 ZINC000934452535 711586890 /nfs/dbraw/zinc/58/68/90/711586890.db2.gz CPTVGPXXOAQONV-UHFFFAOYSA-N 1 0 205.261 0.206 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(C2CC2)CC1 ZINC000724682716 711608644 /nfs/dbraw/zinc/60/86/44/711608644.db2.gz XTUZYTLOUPUULD-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721536546 711619306 /nfs/dbraw/zinc/61/93/06/711619306.db2.gz VXHDMESZAKGTKZ-CYBMUJFWSA-N 1 0 244.298 0.651 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cccn1C ZINC000717786066 711621405 /nfs/dbraw/zinc/62/14/05/711621405.db2.gz IZUMDGRZSBSOLA-LLVKDONJSA-N 1 0 206.289 0.889 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H]1CCO[C@@H](CC)C1 ZINC000717793366 711622392 /nfs/dbraw/zinc/62/23/92/711622392.db2.gz HPYFALFBZXLBST-TUAOUCFPSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@@H]1CCCOCC1 ZINC000717792682 711622616 /nfs/dbraw/zinc/62/26/16/711622616.db2.gz AWBFCVZSSULYAV-NEPJUHHUSA-N 1 0 211.305 0.919 20 30 BCEDRO C[C@@H]1C[N@H+](Cc2cncc(C#N)c2)C[C@H]1O ZINC000721556816 711624641 /nfs/dbraw/zinc/62/46/41/711624641.db2.gz MQNMNDIAQUFDMO-BXKDBHETSA-N 1 0 217.272 0.766 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001006881799 711655578 /nfs/dbraw/zinc/65/55/78/711655578.db2.gz NQBORKCSDBOWMG-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCN(CC=C)C(=O)c1c(C[NH3+])cnn1C ZINC000719247014 711669298 /nfs/dbraw/zinc/66/92/98/711669298.db2.gz IYNARJYKXIOTEL-UHFFFAOYSA-N 1 0 234.303 0.693 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC001075523961 711685583 /nfs/dbraw/zinc/68/55/83/711685583.db2.gz HYHVBXDJSFUPDZ-XQQFMLRXSA-N 1 0 248.326 0.331 20 30 BCEDRO C#CCSCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000309202842 711695342 /nfs/dbraw/zinc/69/53/42/711695342.db2.gz AQKMZMPJWMKLMJ-GFCCVEGCSA-N 1 0 242.388 0.398 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)C(F)F)C1 ZINC001027262356 711722005 /nfs/dbraw/zinc/72/20/05/711722005.db2.gz XRWUOFSSNJVOOH-SECBINFHSA-N 1 0 230.258 0.808 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)CSC)C1 ZINC001027284680 711724911 /nfs/dbraw/zinc/72/49/11/711724911.db2.gz NLDVZZQVWXOCLH-NSHDSACASA-N 1 0 240.372 0.905 20 30 BCEDRO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]c3)[C@@H]2C1 ZINC001075576419 711732738 /nfs/dbraw/zinc/73/27/38/711732738.db2.gz ZICIYCZKXHSDEY-CMPLNLGQSA-N 1 0 246.314 0.742 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001027872490 711739928 /nfs/dbraw/zinc/73/99/28/711739928.db2.gz RXHJKDMQBKQDRU-SNVBAGLBSA-N 1 0 232.287 0.237 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001038162541 711761036 /nfs/dbraw/zinc/76/10/36/711761036.db2.gz SVRZDAAYQARAHY-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CCC[C@H](C#N)C2)CC1 ZINC000928216690 711767976 /nfs/dbraw/zinc/76/79/76/711767976.db2.gz JODJFEYFCLSOFD-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO C#CCSCC(=O)NCC1CC[NH+](C)CC1 ZINC000896051281 711781808 /nfs/dbraw/zinc/78/18/08/711781808.db2.gz QCHLIRHPYNKELM-UHFFFAOYSA-N 1 0 240.372 0.811 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C1CCN(OC)CC1 ZINC000320362137 711782695 /nfs/dbraw/zinc/78/26/95/711782695.db2.gz DZSBJJVMGYTKGH-NSHDSACASA-N 1 0 214.309 0.539 20 30 BCEDRO C=CC[C@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000320404423 711783413 /nfs/dbraw/zinc/78/34/13/711783413.db2.gz PIHILGNIAAGVCJ-SNVBAGLBSA-N 1 0 228.336 0.818 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872214508 711789438 /nfs/dbraw/zinc/78/94/38/711789438.db2.gz YZBDVMWOONFVRA-QWRGUYRKSA-N 1 0 231.336 0.425 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2n[nH]nc2C)[C@H]1C ZINC000986646709 711789698 /nfs/dbraw/zinc/78/96/98/711789698.db2.gz YFWVXWXBICXQGT-UWVGGRQHSA-N 1 0 249.318 0.492 20 30 BCEDRO C#CCOCCNC(=O)[C@H]1CCCC[N@H+]1CC ZINC000753233676 711793229 /nfs/dbraw/zinc/79/32/29/711793229.db2.gz YLHLSTPFNFBRLG-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccnn2C)C1 ZINC000988338357 711793631 /nfs/dbraw/zinc/79/36/31/711793631.db2.gz TVHMQQAPQKAPCY-WDEREUQCSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[C@@H]1NC(=O)N(CC[NH+](CC)CC)C1=O ZINC000925271407 711793839 /nfs/dbraw/zinc/79/38/39/711793839.db2.gz HAKMXYZYWKYGDS-JTQLQIEISA-N 1 0 237.303 0.272 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cn(C)cn2)C1 ZINC000988621651 711796043 /nfs/dbraw/zinc/79/60/43/711796043.db2.gz LBIPTYCTQLJCNU-MNOVXSKESA-N 1 0 246.314 0.246 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2nccn2)C1 ZINC000988887697 711797433 /nfs/dbraw/zinc/79/74/33/711797433.db2.gz WPWODQJMNWYFMP-MNOVXSKESA-N 1 0 249.318 0.043 20 30 BCEDRO CC#CCN1CC[C@H]1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC001038119355 711801375 /nfs/dbraw/zinc/80/13/75/711801375.db2.gz VVDGMGNQHBTILJ-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(C)=O)C1 ZINC001076656806 711807139 /nfs/dbraw/zinc/80/71/39/711807139.db2.gz ILTCFEAUMKUBGI-GHMZBOCLSA-N 1 0 212.293 0.134 20 30 BCEDRO COc1cc(C#N)ccc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000911659518 711819206 /nfs/dbraw/zinc/81/92/06/711819206.db2.gz AYYZRGYRBBNQPN-SNVBAGLBSA-N 1 0 245.282 0.740 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCN[C@@H](c2cnn(C)c2)C1 ZINC000913470507 711822489 /nfs/dbraw/zinc/82/24/89/711822489.db2.gz XYOLTOFLGMIUHR-GXSJLCMTSA-N 1 0 247.302 0.053 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Cc1cccs1 ZINC000913514453 711823482 /nfs/dbraw/zinc/82/34/82/711823482.db2.gz QIGPJJXOAXXSIT-UHFFFAOYSA-N 1 0 236.340 0.972 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccccn1 ZINC000913513167 711823502 /nfs/dbraw/zinc/82/35/02/711823502.db2.gz BAMTUUUGMGGYKB-UHFFFAOYSA-N 1 0 217.272 0.376 20 30 BCEDRO CCc1cc(C(=O)NCC#CC[NH+](C)C)n(C)n1 ZINC000913525298 711823524 /nfs/dbraw/zinc/82/35/24/711823524.db2.gz QWGUILRSYOPWCW-UHFFFAOYSA-N 1 0 248.330 0.277 20 30 BCEDRO Cc1cnc(C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913514463 711823657 /nfs/dbraw/zinc/82/36/57/711823657.db2.gz QYPWHRSURNSNAT-UHFFFAOYSA-N 1 0 232.287 0.080 20 30 BCEDRO Cc1cc(C)n(CC(=O)NCC#CC[NH+](C)C)n1 ZINC000913515819 711823733 /nfs/dbraw/zinc/82/37/33/711823733.db2.gz ORDLGOGGKZNBRC-UHFFFAOYSA-N 1 0 248.330 0.181 20 30 BCEDRO Cc1ccc(C(=O)NCC#CC[NH+](C)C)n1C ZINC000913515710 711823743 /nfs/dbraw/zinc/82/37/43/711823743.db2.gz KCKPKZWKDCDJDV-UHFFFAOYSA-N 1 0 233.315 0.628 20 30 BCEDRO Cn1cc(/C=C\C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913515646 711823755 /nfs/dbraw/zinc/82/37/55/711823755.db2.gz GXSWGZRLLYDSBO-SREVYHEPSA-N 1 0 246.314 0.115 20 30 BCEDRO CC(C)[C@H]1C[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913521094 711823896 /nfs/dbraw/zinc/82/38/96/711823896.db2.gz KPKROJNBTXQKSL-VXGBXAGGSA-N 1 0 222.332 0.960 20 30 BCEDRO C[C@H]1C[C@@H](C(=O)NCC#CC[NH+](C)C)CO1 ZINC000913520911 711824058 /nfs/dbraw/zinc/82/40/58/711824058.db2.gz DBSSWLPIBHGTBL-WDEREUQCSA-N 1 0 224.304 0.093 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001038099321 711824938 /nfs/dbraw/zinc/82/49/38/711824938.db2.gz WNFKTESXFFUCJQ-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001077516157 711846620 /nfs/dbraw/zinc/84/66/20/711846620.db2.gz BYDRHGFHGRQOTR-DDHJBXDOSA-N 1 0 238.331 0.380 20 30 BCEDRO C/C=C/C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000701306775 711858033 /nfs/dbraw/zinc/85/80/33/711858033.db2.gz MNMXZGBEEWESCY-ONEGZZNKSA-N 1 0 207.277 0.667 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H](NC(C)=O)[C@H]1C ZINC000992930497 711861790 /nfs/dbraw/zinc/86/17/90/711861790.db2.gz ZLWNNPWMMQBYGG-ZYHUDNBSSA-N 1 0 208.305 0.999 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H](NC(C)=O)[C@@H]1C ZINC000992930495 711861838 /nfs/dbraw/zinc/86/18/38/711861838.db2.gz ZLWNNPWMMQBYGG-JQWIXIFHSA-N 1 0 208.305 0.999 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H](NC(C)=O)[C@H]1C ZINC000992930496 711861956 /nfs/dbraw/zinc/86/19/56/711861956.db2.gz ZLWNNPWMMQBYGG-PWSUYJOCSA-N 1 0 208.305 0.999 20 30 BCEDRO CC(C)[C@](C)(C#N)NC(=O)C[NH2+]C(C)(C)CO ZINC000916572279 711873014 /nfs/dbraw/zinc/87/30/14/711873014.db2.gz AFWIXCDODIVTHM-LBPRGKRZSA-N 1 0 241.335 0.401 20 30 BCEDRO CC[C@@H](CO)[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000916571657 711873242 /nfs/dbraw/zinc/87/32/42/711873242.db2.gz LOACNFYORRTRDH-NSHDSACASA-N 1 0 247.298 0.857 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ncccc2O)C1 ZINC001031628864 711880164 /nfs/dbraw/zinc/88/01/64/711880164.db2.gz DYCDPLFPCHRQNG-UHFFFAOYSA-N 1 0 247.298 0.635 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC001031858153 711893545 /nfs/dbraw/zinc/89/35/45/711893545.db2.gz QJRRZCWQLIGJIN-JQWIXIFHSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1C[C@H]1C ZINC001032563846 711926050 /nfs/dbraw/zinc/92/60/50/711926050.db2.gz PUKWTECOQWEUEC-MROQNXINSA-N 1 0 232.327 0.951 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC000998772513 711930780 /nfs/dbraw/zinc/93/07/80/711930780.db2.gz VPZWHUADQDZZOI-LBPRGKRZSA-N 1 0 247.298 0.431 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000998781049 711931007 /nfs/dbraw/zinc/93/10/07/711931007.db2.gz OQAAFJHBBDWXPB-SNVBAGLBSA-N 1 0 239.319 0.019 20 30 BCEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)C[NH+]1CCCC1 ZINC001032783817 711938626 /nfs/dbraw/zinc/93/86/26/711938626.db2.gz UEPYPHFTDRSLME-STQMWFEESA-N 1 0 247.342 0.001 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001038079361 711945972 /nfs/dbraw/zinc/94/59/72/711945972.db2.gz VMFVLXRCKXFXIE-JTQLQIEISA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)COC)C[C@@H]1C ZINC001054303758 711946221 /nfs/dbraw/zinc/94/62/21/711946221.db2.gz RNMCYHRACXJOGY-VHSXEESVSA-N 1 0 212.293 0.255 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001032924865 711967530 /nfs/dbraw/zinc/96/75/30/711967530.db2.gz FPOGRWSAJJVTHJ-LBPRGKRZSA-N 1 0 246.314 0.579 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001033355708 711987609 /nfs/dbraw/zinc/98/76/09/711987609.db2.gz DZVBZQCNGMTSQS-GFCCVEGCSA-N 1 0 249.314 0.936 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000700419175 711992862 /nfs/dbraw/zinc/99/28/62/711992862.db2.gz HWNJSPNEDOBFOB-QJPTWQEYSA-N 1 0 226.320 0.865 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000700419179 711993173 /nfs/dbraw/zinc/99/31/73/711993173.db2.gz HWNJSPNEDOBFOB-UTUOFQBUSA-N 1 0 226.320 0.865 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2cnoc2C)CC1 ZINC000700758395 712004459 /nfs/dbraw/zinc/00/44/59/712004459.db2.gz ALPVASHLICRABH-UHFFFAOYSA-N 1 0 220.272 0.943 20 30 BCEDRO C#CCN1CC[C@@H](N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001033664087 712010559 /nfs/dbraw/zinc/01/05/59/712010559.db2.gz CBGBRHFVDWQKGM-CYBMUJFWSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccc[nH]2)C1 ZINC001033672968 712011165 /nfs/dbraw/zinc/01/11/65/712011165.db2.gz UOBODYSLOVEMEF-ZDUSSCGKSA-N 1 0 245.326 0.723 20 30 BCEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)NCCC#N ZINC000701033141 712012287 /nfs/dbraw/zinc/01/22/87/712012287.db2.gz ADBLVBUXQWSBKH-DTHBNOIPSA-N 1 0 239.319 0.418 20 30 BCEDRO C/C=C\C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000701306773 712019509 /nfs/dbraw/zinc/01/95/09/712019509.db2.gz MNMXZGBEEWESCY-ARJAWSKDSA-N 1 0 207.277 0.667 20 30 BCEDRO Cc1ccc(C[NH2+]CCC(N)=O)cc1C#N ZINC000701839568 712030760 /nfs/dbraw/zinc/03/07/60/712030760.db2.gz NBCMIFFCGNEDEW-UHFFFAOYSA-N 1 0 217.272 0.832 20 30 BCEDRO C[C@H](C#N)OCCN1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702477846 712054365 /nfs/dbraw/zinc/05/43/65/712054365.db2.gz CUTQWATVPXKEKK-FRRDWIJNSA-N 1 0 237.347 0.799 20 30 BCEDRO C=CC[NH2+][C@H]1CC[C@H](NC(=O)c2cn[nH]n2)CC1 ZINC001034679451 712078681 /nfs/dbraw/zinc/07/86/81/712078681.db2.gz QBESIHBQXQHGTE-MGCOHNPYSA-N 1 0 249.318 0.621 20 30 BCEDRO C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cnco2)CC1 ZINC001034702188 712080704 /nfs/dbraw/zinc/08/07/04/712080704.db2.gz NGFRHHLHCGGSTP-XYPYZODXSA-N 1 0 247.298 0.938 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H](C)C1 ZINC000703664621 712082913 /nfs/dbraw/zinc/08/29/13/712082913.db2.gz YCJGMCLMZSCNKL-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000703705129 712084148 /nfs/dbraw/zinc/08/41/48/712084148.db2.gz FONCPFFXQXPYMK-ZJUUUORDSA-N 1 0 212.293 0.385 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000703839854 712090116 /nfs/dbraw/zinc/09/01/16/712090116.db2.gz TZSJMEZZDJDRRS-MNOVXSKESA-N 1 0 238.356 0.706 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)O[C@H](C)COC ZINC000704297761 712102772 /nfs/dbraw/zinc/10/27/72/712102772.db2.gz RXOMKXSCMFOVEL-LLVKDONJSA-N 1 0 242.319 0.703 20 30 BCEDRO CN(C(=O)Cc1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1 ZINC000704665430 712113769 /nfs/dbraw/zinc/11/37/69/712113769.db2.gz MSUKSTSFTRIRKL-CYBMUJFWSA-N 1 0 243.310 0.921 20 30 BCEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000705374002 712130789 /nfs/dbraw/zinc/13/07/89/712130789.db2.gz FXMDJBDOMOPKJS-AAEUAGOBSA-N 1 0 239.363 0.971 20 30 BCEDRO C#CCNC(=O)CN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000705642670 712134272 /nfs/dbraw/zinc/13/42/72/712134272.db2.gz OOIZXUBFYMDHAF-ZIAGYGMSSA-N 1 0 249.358 0.009 20 30 BCEDRO C#CCC[NH+]1CC2(C1)CCN(C(C)=O)CC2 ZINC001035629144 712138431 /nfs/dbraw/zinc/13/84/31/712138431.db2.gz WTSQURAZYCLBMR-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000705903859 712139029 /nfs/dbraw/zinc/13/90/29/712139029.db2.gz VXJSRKMZQVWCHO-UHFFFAOYSA-N 1 0 206.289 0.612 20 30 BCEDRO C#CCN(C)C(=O)C12CCC[NH+](CCC1)C2 ZINC000705902114 712139067 /nfs/dbraw/zinc/13/90/67/712139067.db2.gz IGCGLDBADDFGDD-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)C[C@H]1C ZINC001035935679 712150531 /nfs/dbraw/zinc/15/05/31/712150531.db2.gz RNQWRIDPHGRJEX-MNOVXSKESA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cocn2)C[C@@H]1C ZINC001035958283 712152113 /nfs/dbraw/zinc/15/21/13/712152113.db2.gz ASIIVQYOTYIJEP-WDEREUQCSA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C ZINC001036025617 712152616 /nfs/dbraw/zinc/15/26/16/712152616.db2.gz MNNVSWXEKGXZIZ-WDEREUQCSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001036027257 712153110 /nfs/dbraw/zinc/15/31/10/712153110.db2.gz IHVJXEXXGSTNMQ-JSGCOSHPSA-N 1 0 244.338 0.860 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001036086521 712155980 /nfs/dbraw/zinc/15/59/80/712155980.db2.gz APLQPVHPNSVJLX-UWVGGRQHSA-N 1 0 249.318 0.431 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@@H](CO)C2)cc1 ZINC000707595664 712175425 /nfs/dbraw/zinc/17/54/25/712175425.db2.gz OYZNZJYZGVFWMX-YUTCNCBUSA-N 1 0 246.310 0.952 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@](C)(O)CC)CC1 ZINC000708152775 712183439 /nfs/dbraw/zinc/18/34/39/712183439.db2.gz VTHYKLAYBZNOPS-LLVKDONJSA-N 1 0 211.305 0.608 20 30 BCEDRO C#CC1(O)CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000708117084 712181896 /nfs/dbraw/zinc/18/18/96/712181896.db2.gz SHVGGSXKWMSGGJ-NSHDSACASA-N 1 0 222.288 0.375 20 30 BCEDRO C#CC1(O)CC[NH+](CCn2ccnc2C)CC1 ZINC000708133597 712182387 /nfs/dbraw/zinc/18/23/87/712182387.db2.gz IOAOICIBZUHQOV-UHFFFAOYSA-N 1 0 233.315 0.652 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H](O)C(C)(C)C)CC1 ZINC000708118014 712182573 /nfs/dbraw/zinc/18/25/73/712182573.db2.gz XZZHYWCXNSGNCX-NSHDSACASA-N 1 0 225.332 0.854 20 30 BCEDRO C#CC1(O)CC[NH+](CCC(=O)NC(C)C)CC1 ZINC000708142886 712183047 /nfs/dbraw/zinc/18/30/47/712183047.db2.gz PSVOTXGLMOIKRI-UHFFFAOYSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H](O)COC(C)C)CC1 ZINC000708142454 712183188 /nfs/dbraw/zinc/18/31/88/712183188.db2.gz HXGNDAPQPWZROI-LBPRGKRZSA-N 1 0 241.331 0.232 20 30 BCEDRO C[C@@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000708314142 712186767 /nfs/dbraw/zinc/18/67/67/712186767.db2.gz ZEXHKKYWBYQICI-MNOVXSKESA-N 1 0 239.319 0.252 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H]1CCC[C@H]1O ZINC000708691057 712196866 /nfs/dbraw/zinc/19/68/66/712196866.db2.gz PJGDCJSKKLGNHD-GMTAPVOTSA-N 1 0 212.293 0.760 20 30 BCEDRO C=CC[N@H+]1CC[C@@H]2CN(C(=O)COC)CC[C@@H]21 ZINC001036607623 712200608 /nfs/dbraw/zinc/20/06/08/712200608.db2.gz ZAXRCQKTFLFHRK-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO C#C[C@H](CC)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000709924539 712233752 /nfs/dbraw/zinc/23/37/52/712233752.db2.gz QKSRSVRQNAOEAU-MNOVXSKESA-N 1 0 229.345 0.955 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCC1(OC)OC ZINC000710962001 712268769 /nfs/dbraw/zinc/26/87/69/712268769.db2.gz RVKFMTXTKDJXOD-VHSXEESVSA-N 1 0 215.293 0.665 20 30 BCEDRO C=CCCS(=O)(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000711064629 712277976 /nfs/dbraw/zinc/27/79/76/712277976.db2.gz DGZPTGTUMIEPNZ-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C#CCCS(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000711108860 712281505 /nfs/dbraw/zinc/28/15/05/712281505.db2.gz YZRKOZFXUSEEES-SNVBAGLBSA-N 1 0 232.349 0.127 20 30 BCEDRO N#CC[C@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000711943273 712340086 /nfs/dbraw/zinc/34/00/86/712340086.db2.gz NCKHUGCVGONGGW-SNVBAGLBSA-N 1 0 220.280 0.299 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)cc1 ZINC000712263290 712344955 /nfs/dbraw/zinc/34/49/55/712344955.db2.gz GAJXKQXNBJWYDZ-GFCCVEGCSA-N 1 0 229.283 0.992 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cn2cccn2)C1 ZINC001079423759 712347965 /nfs/dbraw/zinc/34/79/65/712347965.db2.gz YOWQJXQJOHYVFM-VXGBXAGGSA-N 1 0 248.330 0.506 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2=COCCC2)C1 ZINC001079474534 712348654 /nfs/dbraw/zinc/34/86/54/712348654.db2.gz GQYQQKDTEZQDJG-DGCLKSJQSA-N 1 0 248.326 0.750 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001079443162 712348737 /nfs/dbraw/zinc/34/87/37/712348737.db2.gz SKGFILQPNQGWNM-MWLCHTKSSA-N 1 0 234.303 0.646 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001079515245 712350253 /nfs/dbraw/zinc/35/02/53/712350253.db2.gz VLSHYVPZDARILV-ZYHUDNBSSA-N 1 0 246.314 0.022 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001080029602 712352360 /nfs/dbraw/zinc/35/23/60/712352360.db2.gz IGFOTMKMASPWON-MWLCHTKSSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001080312518 712353166 /nfs/dbraw/zinc/35/31/66/712353166.db2.gz WKEBQWVXBYKHPB-ZYHUDNBSSA-N 1 0 247.298 0.287 20 30 BCEDRO C#CCNC(=S)N1CC[C@H]([NH+](CC)CC)C1 ZINC000758255606 712408323 /nfs/dbraw/zinc/40/83/23/712408323.db2.gz GTBKCNXQXJCBIV-NSHDSACASA-N 1 0 239.388 0.910 20 30 BCEDRO CN1CC[C@@H]1C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000712569020 712446816 /nfs/dbraw/zinc/44/68/16/712446816.db2.gz HRAYDDABJCENSQ-KGLIPLIRSA-N 1 0 245.326 0.885 20 30 BCEDRO CN1CC[C@@H]1C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000712569024 712446919 /nfs/dbraw/zinc/44/69/19/712446919.db2.gz HRAYDDABJCENSQ-ZIAGYGMSSA-N 1 0 245.326 0.885 20 30 BCEDRO C=CCOCCNC(=O)[C@@]12C[C@@H]1C[C@@H]([NH3+])C2 ZINC000712987356 712450732 /nfs/dbraw/zinc/45/07/32/712450732.db2.gz ISUREWLOTDFZGN-HOSYDEDBSA-N 1 0 224.304 0.433 20 30 BCEDRO C=CCNC(=O)CN(CC[NH3+])CC(F)(F)F ZINC000713344849 712458570 /nfs/dbraw/zinc/45/85/70/712458570.db2.gz RCWYKSOXNVMVSN-UHFFFAOYSA-N 1 0 239.241 0.112 20 30 BCEDRO CCNC(NC[C@H]1C[C@H](OC)C1)=[NH+]CC ZINC000714550063 712494313 /nfs/dbraw/zinc/49/43/13/712494313.db2.gz ZODDURPERWREAR-MGCOHNPYSA-N 1 0 213.325 0.986 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@@H]2[C@H](C[NH3+])C2(F)F)C1 ZINC000715079123 712506652 /nfs/dbraw/zinc/50/66/52/712506652.db2.gz VTJIYHJBXMMACC-NRPADANISA-N 1 0 243.257 0.589 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@H]1COC(C)(C)O1 ZINC000715125490 712510752 /nfs/dbraw/zinc/51/07/52/712510752.db2.gz MHJAANXJMOFCMA-VIFPVBQESA-N 1 0 228.292 0.030 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1[C@@H](C[NH3+])C1(F)F ZINC000715143222 712512034 /nfs/dbraw/zinc/51/20/34/712512034.db2.gz BNHREIXQCNSTEB-HTQZYQBOSA-N 1 0 234.246 0.145 20 30 BCEDRO C#CC(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000715521693 712525813 /nfs/dbraw/zinc/52/58/13/712525813.db2.gz GWTVRNRDXJJWJK-UHFFFAOYSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[C@@H](C)[N@H+]1CCO[C@H](C(=O)OC)C1 ZINC000715742626 712531136 /nfs/dbraw/zinc/53/11/36/712531136.db2.gz ZAKLVFWDFPKVCQ-ZJUUUORDSA-N 1 0 213.277 0.825 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)C12CC[NH+](CC1)C2 ZINC000715821266 712534103 /nfs/dbraw/zinc/53/41/03/712534103.db2.gz AGXGHRHAFWMIFK-UHFFFAOYSA-N 1 0 231.259 0.316 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@@H](C)c1cn(C)nn1 ZINC000715874516 712537816 /nfs/dbraw/zinc/53/78/16/712537816.db2.gz BDXOOXHHOLTRHT-NSHDSACASA-N 1 0 235.335 0.421 20 30 BCEDRO C=CCCOCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716146324 712552427 /nfs/dbraw/zinc/55/24/27/712552427.db2.gz MFRXQHSPFRLPDY-UHFFFAOYSA-N 1 0 247.360 0.744 20 30 BCEDRO NC(=[NH2+])NN=C1CCCc2cccnc21 ZINC000716157964 712552709 /nfs/dbraw/zinc/55/27/09/712552709.db2.gz FKCSHNOZPCPXNW-UHFFFAOYSA-N 1 0 203.249 0.605 20 30 BCEDRO C#Cc1ccc(CNC[C@@]2(O)CC[N@@H+](C)C2)cc1 ZINC000809640688 712584875 /nfs/dbraw/zinc/58/48/75/712584875.db2.gz JELYBEDYXPXTPM-HNNXBMFYSA-N 1 0 244.338 0.824 20 30 BCEDRO CC[NH+](CC)C[C@@H]1CCN(C(=O)C=NOC)C1 ZINC000809700370 712584972 /nfs/dbraw/zinc/58/49/72/712584972.db2.gz FJIFQAORIPQVHA-NSHDSACASA-N 1 0 241.335 0.809 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@](C)(O)C1 ZINC000379811900 712606266 /nfs/dbraw/zinc/60/62/66/712606266.db2.gz OSUGKJXRXGLVRA-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@](C)(O)C1 ZINC000379811899 712606270 /nfs/dbraw/zinc/60/62/70/712606270.db2.gz OSUGKJXRXGLVRA-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO Cc1ncc(C=NN(C)[C@H](C)CO)n1C ZINC000853366300 712613428 /nfs/dbraw/zinc/61/34/28/712613428.db2.gz IFZQRHRWUKLTEN-MRVPVSSYSA-N 1 0 210.281 0.375 20 30 BCEDRO C#CCNC(=O)C[N@H+](CC)C[C@@H](C)OC ZINC000379853004 712616885 /nfs/dbraw/zinc/61/68/85/712616885.db2.gz KYWVYWGWLPAKAD-SNVBAGLBSA-N 1 0 212.293 0.093 20 30 BCEDRO C=CCOCC[N@@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880523707 712633508 /nfs/dbraw/zinc/63/35/08/712633508.db2.gz KNGILGSRGCLKQG-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CCC[C@@H](O)CNc1cc[nH+]cc1C ZINC000379961418 712636976 /nfs/dbraw/zinc/63/69/76/712636976.db2.gz WZKUOJBTBUYXQY-LLVKDONJSA-N 1 0 204.273 0.998 20 30 BCEDRO C=CCC1(O)CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC000717422957 712657649 /nfs/dbraw/zinc/65/76/49/712657649.db2.gz IJJYLEYIKAFQGD-SNVBAGLBSA-N 1 0 226.320 0.653 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000717530219 712660569 /nfs/dbraw/zinc/66/05/69/712660569.db2.gz CSBMOULHWPABHD-BDAKNGLRSA-N 1 0 201.266 0.274 20 30 BCEDRO C#CCCCCC(=O)NCC#CC[NH+](C)C ZINC000717595520 712661078 /nfs/dbraw/zinc/66/10/78/712661078.db2.gz PWZDUTRTGOGBRW-UHFFFAOYSA-N 1 0 220.316 0.861 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cncc(O)c1 ZINC000717595234 712661210 /nfs/dbraw/zinc/66/12/10/712661210.db2.gz NDOKEAVIKDIJIE-UHFFFAOYSA-N 1 0 233.271 0.082 20 30 BCEDRO Cc1cc(C#N)nc(NCC#CC[NH+](C)C)n1 ZINC000717580211 712661389 /nfs/dbraw/zinc/66/13/89/712661389.db2.gz FPELXHDEVXNHKF-UHFFFAOYSA-N 1 0 229.287 0.634 20 30 BCEDRO N#CCCOCC[NH2+][C@@H](CO)C1CCC1 ZINC000717648801 712663210 /nfs/dbraw/zinc/66/32/10/712663210.db2.gz NUBCNAWHGWLNTH-NSHDSACASA-N 1 0 212.293 0.667 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccc(O)cc1O ZINC000717680446 712664197 /nfs/dbraw/zinc/66/41/97/712664197.db2.gz YLYWEUJDEHRDFZ-UHFFFAOYSA-N 1 0 248.282 0.393 20 30 BCEDRO Cc1ccc(C(=O)NCC#CC[NH+](C)C)c(O)c1 ZINC000717679456 712664358 /nfs/dbraw/zinc/66/43/58/712664358.db2.gz JMEPUNUPUWXRAC-UHFFFAOYSA-N 1 0 246.310 0.995 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C1CCC(C)(O)CC1 ZINC000717738632 712668294 /nfs/dbraw/zinc/66/82/94/712668294.db2.gz DZJJREGPSQNKAG-MOENNCHZSA-N 1 0 211.305 0.654 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1cn(C)cn1 ZINC000380008425 712669609 /nfs/dbraw/zinc/66/96/09/712669609.db2.gz QLHLKRQRDVQAPA-SNVBAGLBSA-N 1 0 209.293 0.694 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c(C)noc1C ZINC000717788020 712677620 /nfs/dbraw/zinc/67/76/20/712677620.db2.gz QSNLNFKQBHPJPC-SNVBAGLBSA-N 1 0 208.261 0.765 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnn(C=C)c1 ZINC000717778132 712675683 /nfs/dbraw/zinc/67/56/83/712675683.db2.gz XHSHWWCQFWQQCU-LLVKDONJSA-N 1 0 205.261 0.457 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000717785186 712676129 /nfs/dbraw/zinc/67/61/29/712676129.db2.gz BUCDMXQHNKEJAS-OLZOCXBDSA-N 1 0 237.274 0.833 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(CO)o1 ZINC000717788538 712677616 /nfs/dbraw/zinc/67/76/16/712677616.db2.gz UNMAOTSZYTUFJS-VIFPVBQESA-N 1 0 209.245 0.246 20 30 BCEDRO C#CC[NH2+][C@H](C(=O)N1CCCC1)C(C)C ZINC000380096151 712685913 /nfs/dbraw/zinc/68/59/13/712685913.db2.gz KJADJSRZIKDAHW-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+][C@H](CO)C(C)(C)C ZINC000380185839 712707128 /nfs/dbraw/zinc/70/71/28/712707128.db2.gz GWDAZLMYNHTLIY-VHSXEESVSA-N 1 0 214.309 0.912 20 30 BCEDRO C#CC1(O)CC[NH+](CCCC(=O)OCC)CC1 ZINC000931144225 712713600 /nfs/dbraw/zinc/71/36/00/712713600.db2.gz SKJCFUOMODRRGL-UHFFFAOYSA-N 1 0 239.315 0.790 20 30 BCEDRO COCCNC(=[NH2+])NCCOC1CCCC1 ZINC000195522870 712730623 /nfs/dbraw/zinc/73/06/23/712730623.db2.gz DTYOXCGYDPYHBF-UHFFFAOYSA-N 1 0 229.324 0.496 20 30 BCEDRO COC[C@H](C)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000195523290 712730745 /nfs/dbraw/zinc/73/07/45/712730745.db2.gz MPQPMBMFOSHXRX-NXEZZACHSA-N 1 0 229.324 0.352 20 30 BCEDRO CS(=O)(=O)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000037740449 712753247 /nfs/dbraw/zinc/75/32/47/712753247.db2.gz MRCQCABMJUOUKL-UHFFFAOYSA-N 1 0 238.312 0.692 20 30 BCEDRO C[C@@H](O)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000037888444 712780865 /nfs/dbraw/zinc/78/08/65/712780865.db2.gz YCOCWAIFDNHGPK-SKDRFNHKSA-N 1 0 220.272 0.562 20 30 BCEDRO C=C1CCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000719197871 712799599 /nfs/dbraw/zinc/79/95/99/712799599.db2.gz JNPQXTQJKZKFQM-UHFFFAOYSA-N 1 0 234.303 0.671 20 30 BCEDRO C=C[C@H](C)NC(=O)c1c(C[NH3+])cnn1C ZINC000719244232 712801695 /nfs/dbraw/zinc/80/16/95/712801695.db2.gz KYGIIVAPXIZUGC-ZETCQYMHSA-N 1 0 208.265 0.183 20 30 BCEDRO C[C@H]1[C@H](Nc2ccnc(C#N)n2)CC[N@@H+]1C ZINC000719597144 712813499 /nfs/dbraw/zinc/81/34/99/712813499.db2.gz DLMNPYIALVBBKQ-DTWKUNHWSA-N 1 0 217.276 0.275 20 30 BCEDRO CC#CCN1C[C@@H]2C[C@H]1CN2CC#CC ZINC000640048617 712813677 /nfs/dbraw/zinc/81/36/77/712813677.db2.gz FSOCGCWOUUZNSM-STQMWFEESA-N 1 0 202.301 0.792 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719643544 712819396 /nfs/dbraw/zinc/81/93/96/712819396.db2.gz QJBZYUPJOFOGEO-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO Cn1cnc2c1ncnc2NCC#CC[NH+](C)C ZINC000720137805 712827926 /nfs/dbraw/zinc/82/79/26/712827926.db2.gz PUJGPVNLUXLQFE-UHFFFAOYSA-N 1 0 244.302 0.340 20 30 BCEDRO N#CCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720511299 712847773 /nfs/dbraw/zinc/84/77/73/712847773.db2.gz MTYFGMSKHFOTNB-ZJUUUORDSA-N 1 0 239.344 0.596 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000720819012 712868381 /nfs/dbraw/zinc/86/83/81/712868381.db2.gz XFQGFLKZDPWYKO-GMTAPVOTSA-N 1 0 221.304 0.841 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)C1CC1 ZINC001037984817 712895329 /nfs/dbraw/zinc/89/53/29/712895329.db2.gz LSEASSQPLSSHMA-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC000602085445 349433693 /nfs/dbraw/zinc/43/36/93/349433693.db2.gz MVMNLPTUWVGJPV-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CCCOC ZINC000299269677 136209276 /nfs/dbraw/zinc/20/92/76/136209276.db2.gz MUFKVWGHGVEWDH-JTQLQIEISA-N 1 0 212.293 0.093 20 30 BCEDRO C=CCSCCNC(=O)[C@@H](C)[NH+](C)C ZINC000602087424 349435137 /nfs/dbraw/zinc/43/51/37/349435137.db2.gz GJRBSPUYYOHKLO-SECBINFHSA-N 1 0 216.350 0.972 20 30 BCEDRO C[NH+](C)CC1(C(=O)N2CCO[C@@H](C#N)C2)CC1 ZINC000602097236 349439606 /nfs/dbraw/zinc/43/96/06/349439606.db2.gz OXHNVXMDXRNEHI-JTQLQIEISA-N 1 0 237.303 0.079 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@@](F)(C#N)C2)C1 ZINC000602145084 349452607 /nfs/dbraw/zinc/45/26/07/349452607.db2.gz XHTCZYPNKOKCAP-CMPLNLGQSA-N 1 0 239.294 0.792 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)NCC2(C#N)CC2)C1 ZINC000602148952 349454148 /nfs/dbraw/zinc/45/41/48/349454148.db2.gz PPHQEBMBGTWMBS-SNVBAGLBSA-N 1 0 221.304 0.748 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)NCC2(C#N)CC2)C1 ZINC000602148951 349454287 /nfs/dbraw/zinc/45/42/87/349454287.db2.gz PPHQEBMBGTWMBS-JTQLQIEISA-N 1 0 221.304 0.748 20 30 BCEDRO C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)CCO1 ZINC000034673970 136212220 /nfs/dbraw/zinc/21/22/20/136212220.db2.gz IJGPEDDIKRLIKY-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO COC[C@@](C)(C#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC000602125518 349456200 /nfs/dbraw/zinc/45/62/00/349456200.db2.gz YVDNFQBADYXIGN-LLVKDONJSA-N 1 0 239.319 0.373 20 30 BCEDRO COCCN(CC#N)C(=O)C1(C[NH+](C)C)CC1 ZINC000602157314 349464554 /nfs/dbraw/zinc/46/45/54/349464554.db2.gz GETJXNTVQABWQJ-UHFFFAOYSA-N 1 0 239.319 0.327 20 30 BCEDRO N#C[C@H](CO)NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000602159225 349465343 /nfs/dbraw/zinc/46/53/43/349465343.db2.gz QUBRAPGGHAQMQV-MWLCHTKSSA-N 1 0 237.303 0.004 20 30 BCEDRO C[C@H](C(=O)N1CC[C@@](C)(C#N)C1)[NH+](C)C ZINC000602188430 349468921 /nfs/dbraw/zinc/46/89/21/349468921.db2.gz QFMXQASNRJAQQT-KOLCDFICSA-N 1 0 209.293 0.699 20 30 BCEDRO C#CCC[NH+]1CCN(CCc2cnn(C)c2)CC1 ZINC000271996948 398145173 /nfs/dbraw/zinc/14/51/73/398145173.db2.gz GIXIYDCAWANMKP-UHFFFAOYSA-N 1 0 246.358 0.604 20 30 BCEDRO C[C@H]1CC[C@H](C)[NH+]1CC(=O)NCCC#N ZINC000408256634 136212974 /nfs/dbraw/zinc/21/29/74/136212974.db2.gz OLGIBHODDPRPHL-UWVGGRQHSA-N 1 0 209.293 0.889 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@H+](CCCC#N)C1 ZINC000408256663 136212984 /nfs/dbraw/zinc/21/29/84/136212984.db2.gz MMEQZJQNUDUDRV-VIFPVBQESA-N 1 0 210.281 0.293 20 30 BCEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)NCCC#N ZINC000408256632 136213009 /nfs/dbraw/zinc/21/30/09/136213009.db2.gz OLGIBHODDPRPHL-AOOOYVTPSA-N 1 0 209.293 0.889 20 30 BCEDRO N#Cc1cc(NCC[NH+]2CCC(O)CC2)ncn1 ZINC000322336347 343978921 /nfs/dbraw/zinc/97/89/21/343978921.db2.gz QNUCXOJCSTVCLM-UHFFFAOYSA-N 1 0 247.302 0.217 20 30 BCEDRO N#Cc1ccc(C(=O)N2CCO[C@@H](C[NH3+])C2)cc1 ZINC000159432383 136214307 /nfs/dbraw/zinc/21/43/07/136214307.db2.gz LOOIZHMLVAABPN-LBPRGKRZSA-N 1 0 245.282 0.358 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000649336388 398153145 /nfs/dbraw/zinc/15/31/45/398153145.db2.gz VUYALKIXIFOISR-MNOVXSKESA-N 1 0 226.320 0.511 20 30 BCEDRO Cc1cc(C[NH2+]C(CO)CO)ccc1C#N ZINC000336743342 178016661 /nfs/dbraw/zinc/01/66/61/178016661.db2.gz TYVMSLNTHZPTEV-UHFFFAOYSA-N 1 0 220.272 0.310 20 30 BCEDRO CC[C@H](O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232315991 398170586 /nfs/dbraw/zinc/17/05/86/398170586.db2.gz BVHMUBCSGRHFEK-NSHDSACASA-N 1 0 207.277 0.757 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000334192765 136215765 /nfs/dbraw/zinc/21/57/65/136215765.db2.gz JPNYMGVUBZZTBA-ONGXEEELSA-N 1 0 221.304 0.699 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(c2ncncc2C#N)C1 ZINC000306079085 343980584 /nfs/dbraw/zinc/98/05/84/343980584.db2.gz BSFCGHZXMLARQX-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]2CCCC[NH2+]2)nn1 ZINC000424206224 398175564 /nfs/dbraw/zinc/17/55/64/398175564.db2.gz HEVYBUPRAUMCOO-NSHDSACASA-N 1 0 249.318 0.222 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]([NH3+])C2CCC2)nn1 ZINC000424207091 398176562 /nfs/dbraw/zinc/17/65/62/398176562.db2.gz IKVICGDJKFUEHS-NSHDSACASA-N 1 0 249.318 0.208 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]([NH3+])C(C)C ZINC000424206975 398176765 /nfs/dbraw/zinc/17/67/65/398176765.db2.gz IDFLTNRYETXQDY-GARJFASQSA-N 1 0 226.320 0.677 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H](C)[C@H](C)OC)nn1 ZINC000424290913 398180773 /nfs/dbraw/zinc/18/07/73/398180773.db2.gz CMWFRHRZFAYXHE-UWVGGRQHSA-N 1 0 224.308 0.977 20 30 BCEDRO CN(C)C(=[NH2+])NCc1cccc(CO)c1 ZINC000178567639 136217579 /nfs/dbraw/zinc/21/75/79/136217579.db2.gz FUYLTPZAYFMRGY-UHFFFAOYSA-N 1 0 207.277 0.555 20 30 BCEDRO C#C[C@H](C)[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000274776257 398164361 /nfs/dbraw/zinc/16/43/61/398164361.db2.gz KPLKNMSIOWADRV-CMPLNLGQSA-N 1 0 216.284 0.694 20 30 BCEDRO C=CCN1CC[N@@H+](CCC(=O)OC)C[C@H]1C ZINC000182099422 136218648 /nfs/dbraw/zinc/21/86/48/136218648.db2.gz HQEVRDGPPRVQIO-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@@H](C)C[NH2+]C ZINC000418353534 192026824 /nfs/dbraw/zinc/02/68/24/192026824.db2.gz DBFAQKGDPAUTFG-QWRGUYRKSA-N 1 0 243.351 0.326 20 30 BCEDRO COCC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000119859003 398195193 /nfs/dbraw/zinc/19/51/93/398195193.db2.gz VPIBIQKBVHNRIY-UHFFFAOYSA-N 1 0 237.307 0.374 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCC(C)(C)C ZINC000625564786 398200010 /nfs/dbraw/zinc/20/00/10/398200010.db2.gz YCHAUPYQDUYTHW-SECBINFHSA-N 1 0 214.309 0.285 20 30 BCEDRO CC(C)[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000306083344 343982870 /nfs/dbraw/zinc/98/28/70/343982870.db2.gz FLGWCOPUXZQJSY-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO N#CCCCC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000576332758 365567958 /nfs/dbraw/zinc/56/79/58/365567958.db2.gz OJZVRFXMPOMTRG-QWRGUYRKSA-N 1 0 212.293 0.355 20 30 BCEDRO COC[C@@](C)(CCO)[NH2+]CCCC#N ZINC000085903486 398214749 /nfs/dbraw/zinc/21/47/49/398214749.db2.gz MVDHFCXVGFMZSB-SNVBAGLBSA-N 1 0 200.282 0.667 20 30 BCEDRO Cc1cc(NC[C@@](C)(O)C[NH+](C)C)cc(C#N)n1 ZINC000308271909 178167710 /nfs/dbraw/zinc/16/77/10/178167710.db2.gz BNCAIFVFYOUHMD-CYBMUJFWSA-N 1 0 248.330 0.986 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@](C)(O)C(=O)OC ZINC000340245851 136221719 /nfs/dbraw/zinc/22/17/19/136221719.db2.gz SIRVLRSFJBYOBN-JTQLQIEISA-N 1 0 201.266 0.418 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418370617 192029291 /nfs/dbraw/zinc/02/92/91/192029291.db2.gz OWOQOMWYUVGRET-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C=C(C)CN(C)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000418374083 192029458 /nfs/dbraw/zinc/02/94/58/192029458.db2.gz SCAZNKZPYWOVIA-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418387933 192031730 /nfs/dbraw/zinc/03/17/30/192031730.db2.gz UJRNAFWTHXOXAE-QWRGUYRKSA-N 1 0 241.335 0.222 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629915715 361770451 /nfs/dbraw/zinc/77/04/51/361770451.db2.gz LRDFJHSTKVQKTH-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NCC(C)(C)[NH3+] ZINC000418414768 192034659 /nfs/dbraw/zinc/03/46/59/192034659.db2.gz LWHUAOQANJKCFI-SECBINFHSA-N 1 0 229.324 0.350 20 30 BCEDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)C2(C#N)CCC2)CCO1 ZINC000602435704 349522627 /nfs/dbraw/zinc/52/26/27/349522627.db2.gz SNHOWARULYOFTD-NXEZZACHSA-N 1 0 237.303 0.255 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000575245054 398238166 /nfs/dbraw/zinc/23/81/66/398238166.db2.gz LAHLRSAIXIDBSK-WDEREUQCSA-N 1 0 242.319 0.072 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C(C)C)C1COC1 ZINC000295280190 166172329 /nfs/dbraw/zinc/17/23/29/166172329.db2.gz CYHWYZSNOWZSEW-UHFFFAOYSA-N 1 0 224.304 0.235 20 30 BCEDRO C[C@@H](CCC#N)C[NH+]1CCN(CCO)CC1 ZINC000602426192 349533269 /nfs/dbraw/zinc/53/32/69/349533269.db2.gz YYYPUEQDSSTYSZ-LBPRGKRZSA-N 1 0 225.336 0.536 20 30 BCEDRO CN(C(=O)C1(C#N)CCC1)[C@H]1CC[NH2+]C1 ZINC000602429655 349534437 /nfs/dbraw/zinc/53/44/37/349534437.db2.gz RPYGBBUEZNOCIQ-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO C=CCCOCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000390764832 398245580 /nfs/dbraw/zinc/24/55/80/398245580.db2.gz PPAYLBNODJZATO-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[NH2+]CC1(C)C ZINC000390798994 398249818 /nfs/dbraw/zinc/24/98/18/398249818.db2.gz VYWPICYWUDXTJQ-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C[C@H]1CN(C(=O)C2(C#N)CCC2)CC[C@H]1[NH3+] ZINC000602434334 349537878 /nfs/dbraw/zinc/53/78/78/349537878.db2.gz PTNMLCLPSOZOBF-VHSXEESVSA-N 1 0 221.304 0.876 20 30 BCEDRO COCCC[N@H+](CCO)Cc1ccc(C#N)cn1 ZINC000576644690 365648436 /nfs/dbraw/zinc/64/84/36/365648436.db2.gz LBBILWFNQSGPCQ-UHFFFAOYSA-N 1 0 249.314 0.784 20 30 BCEDRO CC(C)(CC#N)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000576718815 365657351 /nfs/dbraw/zinc/65/73/51/365657351.db2.gz IQKSPRCWLJKLET-VIFPVBQESA-N 1 0 224.308 0.587 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccccn1 ZINC000576748160 365675092 /nfs/dbraw/zinc/67/50/92/365675092.db2.gz GYLWYALSISLFLP-CYBMUJFWSA-N 1 0 248.330 0.378 20 30 BCEDRO C=C[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000381545926 398263095 /nfs/dbraw/zinc/26/30/95/398263095.db2.gz KGVKYOYKIJFAFS-NXEZZACHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=C[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000381545930 398263342 /nfs/dbraw/zinc/26/33/42/398263342.db2.gz KGVKYOYKIJFAFS-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCCN(C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418483411 192040035 /nfs/dbraw/zinc/04/00/35/192040035.db2.gz CFJCBYUVRMJMMD-SNVBAGLBSA-N 1 0 211.309 0.941 20 30 BCEDRO N#CC1(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)CCC1 ZINC000602491012 349571294 /nfs/dbraw/zinc/57/12/94/349571294.db2.gz MQRYUROSZZNMRD-WDEREUQCSA-N 1 0 233.315 0.891 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000602494442 349572780 /nfs/dbraw/zinc/57/27/80/349572780.db2.gz YIKDHMIFCFZHMT-QMMMGPOBSA-N 1 0 207.277 0.534 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000602527300 349578321 /nfs/dbraw/zinc/57/83/21/349578321.db2.gz OALXEWSFWFQHBP-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CCNS(C)(=O)=O ZINC000602503675 349581092 /nfs/dbraw/zinc/58/10/92/349581092.db2.gz DQPVPTFNGQKMMB-SECBINFHSA-N 1 0 233.337 0.065 20 30 BCEDRO CN(CC[NH3+])C(=O)C1(C#N)CC2(CC2)C1 ZINC000602511920 349585401 /nfs/dbraw/zinc/58/54/01/349585401.db2.gz VWGNTVSQAHBFFD-UHFFFAOYSA-N 1 0 207.277 0.487 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)CCC2C[NH2+]C2)C1 ZINC000602513829 349586023 /nfs/dbraw/zinc/58/60/23/349586023.db2.gz FANJICUWBFYBAR-GXSJLCMTSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)C1(C#N)CCC1 ZINC000602514416 349586811 /nfs/dbraw/zinc/58/68/11/349586811.db2.gz MSLYERGULFOIIQ-DTWKUNHWSA-N 1 0 209.293 0.922 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CN(C)CCN1C ZINC000602545121 349588588 /nfs/dbraw/zinc/58/85/88/349588588.db2.gz MVBJOXYWXDWJKK-QWHCGFSZSA-N 1 0 238.379 0.762 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CCC(=O)N(C)C ZINC000602534410 349602404 /nfs/dbraw/zinc/60/24/04/349602404.db2.gz SAFWDVWBPICGDT-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000602534639 349602472 /nfs/dbraw/zinc/60/24/72/349602472.db2.gz KXJDKAWQVIHSGU-VIFPVBQESA-N 1 0 221.304 0.794 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000602535845 349602784 /nfs/dbraw/zinc/60/27/84/349602784.db2.gz ZBZGRCIMEDSVRH-OUAUKWLOSA-N 1 0 221.304 0.876 20 30 BCEDRO CCC(C#N)(CC)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000602550028 349591799 /nfs/dbraw/zinc/59/17/99/349591799.db2.gz ICLCQAAJFFKNAE-SNVBAGLBSA-N 1 0 239.319 0.421 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@H]1[NH2+]CCOCCC#N ZINC000378864451 346849000 /nfs/dbraw/zinc/84/90/00/346849000.db2.gz XJPBMAXDBDDVRP-ZJUUUORDSA-N 1 0 225.292 0.031 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2COCC[NH2+]2)CC2(CC2)C1 ZINC000602552532 349594556 /nfs/dbraw/zinc/59/45/56/349594556.db2.gz UKVNPPLTBAHSDV-JTQLQIEISA-N 1 0 249.314 0.175 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)CC2(C#N)CC2)C1 ZINC000590221912 346850946 /nfs/dbraw/zinc/85/09/46/346850946.db2.gz NKFVWXGVLMTGTH-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO N#CC1(C(=O)NCCOCCC[NH3+])CCCC1 ZINC000602554443 349596218 /nfs/dbraw/zinc/59/62/18/349596218.db2.gz YPMCUTSLLHUVLE-UHFFFAOYSA-N 1 0 239.319 0.552 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000602577759 349606849 /nfs/dbraw/zinc/60/68/49/349606849.db2.gz AJFRZJRNKSPKGQ-ZYHUDNBSSA-N 1 0 236.319 0.983 20 30 BCEDRO Cn1nnnc1CC[NH2+]C1CCC(C#N)CC1 ZINC000602583920 349611072 /nfs/dbraw/zinc/61/10/72/349611072.db2.gz VWEWLOZIOVKIBH-UHFFFAOYSA-N 1 0 234.307 0.425 20 30 BCEDRO C=C[C@@H](C)NC(=O)NCC[NH2+]CCOC ZINC000418496923 192042575 /nfs/dbraw/zinc/04/25/75/192042575.db2.gz IWSXPIUHPKWYID-SECBINFHSA-N 1 0 215.297 0.096 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@@H](C)C[NH3+] ZINC000418489469 192041709 /nfs/dbraw/zinc/04/17/09/192041709.db2.gz LTIIKRYUCWRDSR-VHSXEESVSA-N 1 0 229.324 0.208 20 30 BCEDRO C[C@H]1CN(C(=O)NCC(C)(C)C#N)CC[NH2+]1 ZINC000335603136 136235560 /nfs/dbraw/zinc/23/55/60/136235560.db2.gz BHMYRXMQKMSOBY-VIFPVBQESA-N 1 0 224.308 0.539 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)COCC(C)C ZINC000321006197 342749173 /nfs/dbraw/zinc/74/91/73/342749173.db2.gz LMQPRBNPWHADTH-RYUDHWBXSA-N 1 0 231.336 0.547 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000616384514 342749695 /nfs/dbraw/zinc/74/96/95/342749695.db2.gz RYACBIPKYPSMES-CMPLNLGQSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C(C)CN(C)C(=O)[C@H]1CN(C)CCO1 ZINC000183058157 538965203 /nfs/dbraw/zinc/96/52/03/538965203.db2.gz WUIMJPMKFLOXJX-SNVBAGLBSA-N 1 0 212.293 0.352 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@H](O)COC(C)C ZINC000320646204 342735217 /nfs/dbraw/zinc/73/52/17/342735217.db2.gz NZFYJLSEWVKWNP-NEPJUHHUSA-N 1 0 231.336 0.689 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)COC(C)C ZINC000320646207 342735249 /nfs/dbraw/zinc/73/52/49/342735249.db2.gz NZFYJLSEWVKWNP-RYUDHWBXSA-N 1 0 231.336 0.689 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)C1CC[NH+](CC)CC1 ZINC000667997776 488179645 /nfs/dbraw/zinc/17/96/45/488179645.db2.gz AKEWERYJGKACHO-NSHDSACASA-N 1 0 226.320 0.476 20 30 BCEDRO C[C@@H]1CN(C(=O)NCC(C)(C)C#N)[C@@H](C)C[NH2+]1 ZINC000335604692 136236119 /nfs/dbraw/zinc/23/61/19/136236119.db2.gz OOXHWNNBVRJPIA-ZJUUUORDSA-N 1 0 238.335 0.928 20 30 BCEDRO COC[C@H](O)C[N@H+](C)[C@@H]1CCC[C@@H]1C#N ZINC000042504971 342777820 /nfs/dbraw/zinc/77/78/20/342777820.db2.gz OGERUGOISBODGK-GMTAPVOTSA-N 1 0 212.293 0.618 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CSC[C@H]1C ZINC000378925917 346860918 /nfs/dbraw/zinc/86/09/18/346860918.db2.gz SDMQFWQBDHTRJQ-ZJUUUORDSA-N 1 0 226.345 0.467 20 30 BCEDRO C=CCSCC[NH2+]C[C@H](O)COC ZINC000231945610 342763065 /nfs/dbraw/zinc/76/30/65/342763065.db2.gz IBBXBUITCOTFPH-VIFPVBQESA-N 1 0 205.323 0.503 20 30 BCEDRO CCC(CC)[NH2+]CCn1cnc(C#N)n1 ZINC000287477359 168388905 /nfs/dbraw/zinc/38/89/05/168388905.db2.gz MRTTWCBSEGSBSB-UHFFFAOYSA-N 1 0 207.281 0.928 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1([NH2+]C)CCC1 ZINC000630003439 361885993 /nfs/dbraw/zinc/88/59/93/361885993.db2.gz ZUHQZROZQSDWFX-MNOVXSKESA-N 1 0 238.331 0.836 20 30 BCEDRO CC#CC[NH+]1CCC(NC(=O)COC)CC1 ZINC000607726765 342782460 /nfs/dbraw/zinc/78/24/60/342782460.db2.gz HBMLIIOMASMJDP-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418501488 192043894 /nfs/dbraw/zinc/04/38/94/192043894.db2.gz RHNNBDXXMVBNGA-NSHDSACASA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCN(C(=O)NCC[NH2+]CCOC)C1CC1 ZINC000418504567 192043986 /nfs/dbraw/zinc/04/39/86/192043986.db2.gz BYIYJAFYODJXAC-UHFFFAOYSA-N 1 0 241.335 0.582 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)C[N@H+](C)C1CCC1 ZINC000630012553 361898347 /nfs/dbraw/zinc/89/83/47/361898347.db2.gz ZCDVSQKYYPYSCA-NSHDSACASA-N 1 0 238.331 0.361 20 30 BCEDRO CC[N@H+](C)CCNc1ccncc1C#N ZINC000394420320 342790334 /nfs/dbraw/zinc/79/03/34/342790334.db2.gz BZYOUUWLEVLFES-UHFFFAOYSA-N 1 0 204.277 0.739 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000634580812 342796235 /nfs/dbraw/zinc/79/62/35/342796235.db2.gz KYMVBLBKJYLFQD-QWRGUYRKSA-N 1 0 248.330 0.998 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)CCC1C[NH2+]C1 ZINC000602594210 349623254 /nfs/dbraw/zinc/62/32/54/349623254.db2.gz VNWHIJWSGCIGET-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO CN1CC[NH2+]C[C@H]1CNc1cccc(C#N)n1 ZINC000394733601 342817015 /nfs/dbraw/zinc/81/70/15/342817015.db2.gz MDTZGQBVGZUAGC-NSHDSACASA-N 1 0 231.303 0.269 20 30 BCEDRO C[NH2+]CCC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000602601843 349624606 /nfs/dbraw/zinc/62/46/06/349624606.db2.gz LIMJZMDDLSQZEJ-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO COC1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCC1 ZINC000262589387 536592952 /nfs/dbraw/zinc/59/29/52/536592952.db2.gz UHMBTHKKQZBWLZ-JTQLQIEISA-N 1 0 241.335 0.639 20 30 BCEDRO N#CCCN1CCN(C(=O)C2=CC[C@H]([NH3+])C2)CC1 ZINC000602602127 349624784 /nfs/dbraw/zinc/62/47/84/349624784.db2.gz ABDINRSBKWEWAG-LBPRGKRZSA-N 1 0 248.330 0.092 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@H](C)[NH2+]CC)C(=O)OC ZINC000602602571 349625478 /nfs/dbraw/zinc/62/54/78/349625478.db2.gz UWRWHVAIGXALKD-VHSXEESVSA-N 1 0 242.319 0.608 20 30 BCEDRO CN(C(=O)COCC[NH3+])[C@H]1CCC[C@H]1C#N ZINC000602603061 349625658 /nfs/dbraw/zinc/62/56/58/349625658.db2.gz PRDSXPMMLFMHNB-UWVGGRQHSA-N 1 0 225.292 0.112 20 30 BCEDRO Cn1cc(C[NH2+]C2(CC(N)=O)CCC2)cc1C#N ZINC000361603730 398294447 /nfs/dbraw/zinc/29/44/47/398294447.db2.gz QZDFYLZRTSXDSQ-UHFFFAOYSA-N 1 0 246.314 0.784 20 30 BCEDRO CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCC[C@@H]1C#N ZINC000602604609 349627298 /nfs/dbraw/zinc/62/72/98/349627298.db2.gz YZNMITVTBBLGIT-GCHJQGSQSA-N 1 0 233.315 0.602 20 30 BCEDRO COCC#CC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000390519747 539026086 /nfs/dbraw/zinc/02/60/86/539026086.db2.gz DXLMABMTXJNBBA-WDEREUQCSA-N 1 0 224.304 0.270 20 30 BCEDRO COCC#CC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000390519345 539026191 /nfs/dbraw/zinc/02/61/91/539026191.db2.gz DXLMABMTXJNBBA-MNOVXSKESA-N 1 0 224.304 0.270 20 30 BCEDRO CN(CC[NH+](C)C)c1ccc(C#N)cn1 ZINC000110895380 398301201 /nfs/dbraw/zinc/30/12/01/398301201.db2.gz WPOLTPJVDYHDPX-UHFFFAOYSA-N 1 0 204.277 0.951 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418551410 192049458 /nfs/dbraw/zinc/04/94/58/192049458.db2.gz POMHFZWPRMHCSH-MNOVXSKESA-N 1 0 241.335 0.365 20 30 BCEDRO C[C@H]1CN(CC2(CC#N)CC2)C[C@@H](CO)O1 ZINC000229962797 342859195 /nfs/dbraw/zinc/85/91/95/342859195.db2.gz BXJUICWHELIXOU-QWRGUYRKSA-N 1 0 224.304 0.762 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C(=O)OC)no1 ZINC000602610751 349634393 /nfs/dbraw/zinc/63/43/93/349634393.db2.gz ABUHPQSDVYSWEA-MRVPVSSYSA-N 1 0 240.259 0.488 20 30 BCEDRO CC[C@@H](CC#N)[NH2+][C@H](C)Cn1cncn1 ZINC000602611433 349634535 /nfs/dbraw/zinc/63/45/35/349634535.db2.gz LMFKFDJOEVJEOR-ZJUUUORDSA-N 1 0 207.281 0.948 20 30 BCEDRO C[C@@H]([NH3+])CCC(=O)N1CCN(CCC#N)CC1 ZINC000134825605 342895419 /nfs/dbraw/zinc/89/54/19/342895419.db2.gz WXPCHFHCFXPUQV-LLVKDONJSA-N 1 0 238.335 0.172 20 30 BCEDRO CO[C@H](C[NH2+]C[C@H](C)C#N)[C@H]1CCOC1 ZINC000602608930 349632734 /nfs/dbraw/zinc/63/27/34/349632734.db2.gz ZUNFFLUDOVYPED-OUAUKWLOSA-N 1 0 212.293 0.787 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418569252 192051641 /nfs/dbraw/zinc/05/16/41/192051641.db2.gz HTJRUXXBDMFVSA-VWYCJHECSA-N 1 0 238.335 0.785 20 30 BCEDRO Cn1cncc1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000234346410 342921474 /nfs/dbraw/zinc/92/14/74/342921474.db2.gz ALODZPXEFQJEAS-UHFFFAOYSA-N 1 0 247.302 0.138 20 30 BCEDRO C[NH2+][C@@H](C)C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000602601418 349647476 /nfs/dbraw/zinc/64/74/76/349647476.db2.gz LEVWZAIEIXMVDS-AEJSXWLSSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H]1[NH2+]CC1(C)C ZINC000602594526 349642951 /nfs/dbraw/zinc/64/29/51/349642951.db2.gz YIUFBOMVLWQYHP-RKDXNWHRSA-N 1 0 209.293 0.745 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@H](C)[NH2+]C)C(=O)OC ZINC000602598368 349644937 /nfs/dbraw/zinc/64/49/37/349644937.db2.gz BSLWGHLOQVJDBT-DTWKUNHWSA-N 1 0 228.292 0.218 20 30 BCEDRO C=C(C)C[C@H](NC(=O)C[NH2+]C1CC1)C(=O)OC ZINC000602600957 349646403 /nfs/dbraw/zinc/64/64/03/349646403.db2.gz QBQKNKRCLWDDQD-JTQLQIEISA-N 1 0 240.303 0.362 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)CCC[NH2+]C)C(=O)OC ZINC000602600863 349646576 /nfs/dbraw/zinc/64/65/76/349646576.db2.gz PKTLGNHKCIDQSI-SNVBAGLBSA-N 1 0 242.319 0.610 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)C(=O)NCCF ZINC000602653288 349660287 /nfs/dbraw/zinc/66/02/87/349660287.db2.gz OHNYBSVDDHILEA-ZJUUUORDSA-N 1 0 229.299 0.990 20 30 BCEDRO COC[C@@H](CO)[NH2+]C[C@@H](C)CCC#N ZINC000602637880 349652153 /nfs/dbraw/zinc/65/21/53/349652153.db2.gz IEQDVWABLPGIFX-VHSXEESVSA-N 1 0 200.282 0.523 20 30 BCEDRO CO[C@]1(C[NH2+]CC2(C#N)CC2)CCOC1 ZINC000602643595 349656089 /nfs/dbraw/zinc/65/60/89/349656089.db2.gz RFCNVEYVKGEZBF-NSHDSACASA-N 1 0 210.277 0.685 20 30 BCEDRO CC(C)(C[NH2+]CC1(C#N)CC1)N1CCOCC1 ZINC000602644493 349656784 /nfs/dbraw/zinc/65/67/84/349656784.db2.gz YCTXDILXTHIQFA-UHFFFAOYSA-N 1 0 237.347 0.991 20 30 BCEDRO COC[C@H](O)C[NH2+]C1CCC(C#N)CC1 ZINC000602654181 349661172 /nfs/dbraw/zinc/66/11/72/349661172.db2.gz PRURMEJLKUWKIG-VQXHTEKXSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCOCC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000565005905 398337699 /nfs/dbraw/zinc/33/76/99/398337699.db2.gz VWRLDWDDSXUSLG-DTWKUNHWSA-N 1 0 200.282 0.431 20 30 BCEDRO COC[C@H](O)C[NH2+]C[C@@H](C)CCC#N ZINC000602656497 349661938 /nfs/dbraw/zinc/66/19/38/349661938.db2.gz YSNGJWUQXOODMS-VHSXEESVSA-N 1 0 200.282 0.523 20 30 BCEDRO CC#CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000418613403 192055435 /nfs/dbraw/zinc/05/54/35/192055435.db2.gz FLOQANWIZZMTOI-NSHDSACASA-N 1 0 223.320 0.826 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(CC#N)C1 ZINC000260315901 349665933 /nfs/dbraw/zinc/66/59/33/349665933.db2.gz XHQVEMFPWLXYNE-SNVBAGLBSA-N 1 0 207.277 0.453 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1CCC(=O)N1 ZINC000602718549 349686866 /nfs/dbraw/zinc/68/68/66/349686866.db2.gz SGYJMCLIFBKWRO-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CC(=O)NC1CC1 ZINC000602662830 349682743 /nfs/dbraw/zinc/68/27/43/349682743.db2.gz AXHGGASVDUIAAZ-VIFPVBQESA-N 1 0 209.293 0.794 20 30 BCEDRO CO[C@@H]1COC[C@H]1[NH2+]C[C@H](C)CCC#N ZINC000602695166 349691842 /nfs/dbraw/zinc/69/18/42/349691842.db2.gz FCLZKNOJPQWGRN-GMTAPVOTSA-N 1 0 212.293 0.930 20 30 BCEDRO C[C@H](CCC#N)C[NH+]1CCC(O)(CO)CC1 ZINC000602708721 349701766 /nfs/dbraw/zinc/70/17/66/349701766.db2.gz KZCUWMZUKKOLOP-LLVKDONJSA-N 1 0 226.320 0.745 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNc2ncncc2C#N)C1 ZINC000304501411 259335387 /nfs/dbraw/zinc/33/53/87/259335387.db2.gz VNASQSLQHVRMEI-VIFPVBQESA-N 1 0 217.276 0.712 20 30 BCEDRO N#CC1CCC([NH2+][C@H]2CCNC2=O)CC1 ZINC000602704024 349698160 /nfs/dbraw/zinc/69/81/60/349698160.db2.gz AOQJCHPXJLGYLM-RTBKNWGFSA-N 1 0 207.277 0.547 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCN2CCCC2=O)n1 ZINC000602714221 349705621 /nfs/dbraw/zinc/70/56/21/349705621.db2.gz XHPAHKRGXBLJAU-UHFFFAOYSA-N 1 0 244.298 0.665 20 30 BCEDRO C#CCNC(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000267133580 166180280 /nfs/dbraw/zinc/18/02/80/166180280.db2.gz SCZHRHQXVOXSCA-NSHDSACASA-N 1 0 241.360 0.356 20 30 BCEDRO N#CCCN1CC[NH+](Cc2cc[nH]c(=O)c2)CC1 ZINC000602800645 349740389 /nfs/dbraw/zinc/74/03/89/349740389.db2.gz SWAIEPAZKPVONC-UHFFFAOYSA-N 1 0 246.314 0.818 20 30 BCEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CC(=O)NCC(=O)OC ZINC000602752120 349730875 /nfs/dbraw/zinc/73/08/75/349730875.db2.gz XMXYRPDKLNMRNZ-NXEZZACHSA-N 1 0 242.319 0.466 20 30 BCEDRO C#CCNC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000175590507 166181378 /nfs/dbraw/zinc/18/13/78/166181378.db2.gz CUJYSAJDDIYUHN-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO CC#CCN1CCN(C(=O)[C@@H]2CCC[N@@H+]2C)CC1 ZINC000162558966 349748050 /nfs/dbraw/zinc/74/80/50/349748050.db2.gz QIKPYMVBACWNHT-ZDUSSCGKSA-N 1 0 249.358 0.248 20 30 BCEDRO C=CCCC[NH+]1CCN(c2nccnn2)CC1 ZINC000625637994 344023215 /nfs/dbraw/zinc/02/32/15/344023215.db2.gz FUDXJXQJYJFMTF-UHFFFAOYSA-N 1 0 233.319 0.960 20 30 BCEDRO C[N@H+](CC(C)(CO)CO)CC1(CC#N)CC1 ZINC000602786969 349750648 /nfs/dbraw/zinc/75/06/48/349750648.db2.gz YFMIXOPEZLYITI-UHFFFAOYSA-N 1 0 226.320 0.603 20 30 BCEDRO N#CCC1(C[N@@H+]2CCN3CCOC[C@H]3C2)CC1 ZINC000602811795 349755810 /nfs/dbraw/zinc/75/58/10/349755810.db2.gz YGSRMCIFFIECJW-GFCCVEGCSA-N 1 0 235.331 0.697 20 30 BCEDRO N#CCC1(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)CC1 ZINC000602814776 349756864 /nfs/dbraw/zinc/75/68/64/349756864.db2.gz HPMNYLCCKVRHSL-MNOVXSKESA-N 1 0 224.304 0.355 20 30 BCEDRO COCCCNC(=O)[C@@H](C)N[C@@H](C)CC#N ZINC000602861715 349773551 /nfs/dbraw/zinc/77/35/51/349773551.db2.gz HVFYLRINPWZYOR-VHSXEESVSA-N 1 0 227.308 0.419 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cncc(OC)c1C ZINC000631109497 343037286 /nfs/dbraw/zinc/03/72/86/343037286.db2.gz RTIMTKMKHIFFRZ-UHFFFAOYSA-N 1 0 249.314 0.790 20 30 BCEDRO CO[C@@H](C)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856094 349788713 /nfs/dbraw/zinc/78/87/13/349788713.db2.gz YKINWYXNZRSMGJ-TUAOUCFPSA-N 1 0 225.336 0.939 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856350 349789193 /nfs/dbraw/zinc/78/91/93/349789193.db2.gz ZIFYUKRFVINEFE-FRRDWIJNSA-N 1 0 237.347 0.842 20 30 BCEDRO CC#CCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418634389 192058796 /nfs/dbraw/zinc/05/87/96/192058796.db2.gz JJAWMKDBQYACJP-LBPRGKRZSA-N 1 0 239.319 0.078 20 30 BCEDRO C[NH+](C)C[C@@]1(O)CCCN(CCCC#N)C1 ZINC000602878114 349790049 /nfs/dbraw/zinc/79/00/49/349790049.db2.gz VPPBESRSQGTZKD-LBPRGKRZSA-N 1 0 225.336 0.679 20 30 BCEDRO C[C@H](O)CC[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849769 349785067 /nfs/dbraw/zinc/78/50/67/349785067.db2.gz NQHZEXOBJBMECZ-TUAOUCFPSA-N 1 0 225.336 0.675 20 30 BCEDRO C[C@@H]1C[NH+](CCn2cccn2)C[C@@H](C)N1CC#N ZINC000602850707 349785835 /nfs/dbraw/zinc/78/58/35/349785835.db2.gz RRLRBIXBEDYHHU-CHWSQXEVSA-N 1 0 247.346 0.801 20 30 BCEDRO C=CC[N@H+]1CCC[C@H](CN(C)S(C)(=O)=O)C1 ZINC000352542923 136264192 /nfs/dbraw/zinc/26/41/92/136264192.db2.gz ABDDIQAQXJSDOG-LLVKDONJSA-N 1 0 246.376 0.776 20 30 BCEDRO COC[C@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851906 349786366 /nfs/dbraw/zinc/78/63/66/349786366.db2.gz YCSWWNPBPHOLOB-TUAOUCFPSA-N 1 0 225.336 0.939 20 30 BCEDRO CCOCC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602852231 349786400 /nfs/dbraw/zinc/78/64/00/349786400.db2.gz ABYCXBQGMKDHHA-VXGBXAGGSA-N 1 0 225.336 0.941 20 30 BCEDRO N#CC1CC[NH+](CCN2CCCC2=O)CC1 ZINC000355947142 136266166 /nfs/dbraw/zinc/26/61/66/136266166.db2.gz OHLQXSPFUCHQJM-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO C=CCOCC(=O)N(C)CC[NH+](C)C ZINC000359556776 136267144 /nfs/dbraw/zinc/26/71/44/136267144.db2.gz GQQCJRAWCARVRM-UHFFFAOYSA-N 1 0 200.282 0.209 20 30 BCEDRO C=CCNC(=O)[C@@H](C)n1cc(CCC[NH3+])nn1 ZINC000640883186 362069061 /nfs/dbraw/zinc/06/90/61/362069061.db2.gz CKLZUYSQFOHQPU-SECBINFHSA-N 1 0 237.307 0.033 20 30 BCEDRO C=CCN(CC=C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418679081 192059971 /nfs/dbraw/zinc/05/99/71/192059971.db2.gz WKEASYXJTLFHFQ-URLYPYJESA-N 1 0 221.304 0.588 20 30 BCEDRO C=C(C)Cn1cc(C[C@H]([NH3+])COC)nn1 ZINC000640804406 362053269 /nfs/dbraw/zinc/05/32/69/362053269.db2.gz XPPYUXXOTZNTDQ-VIFPVBQESA-N 1 0 210.281 0.370 20 30 BCEDRO CC#CCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000418686092 192060208 /nfs/dbraw/zinc/06/02/08/192060208.db2.gz BUFGAFPHVPZNLL-JTQLQIEISA-N 1 0 211.309 0.826 20 30 BCEDRO C=CCCCn1cc(CCN2CC[NH2+]CC2)nn1 ZINC000640936345 362074225 /nfs/dbraw/zinc/07/42/25/362074225.db2.gz UTFYNLYZEXIDNC-UHFFFAOYSA-N 1 0 249.362 0.692 20 30 BCEDRO C=CCCCCn1cc(C[C@@H]([NH3+])CO)nn1 ZINC000640939742 362078385 /nfs/dbraw/zinc/07/83/85/362078385.db2.gz VVEMSVGFPSOITB-SNVBAGLBSA-N 1 0 224.308 0.497 20 30 BCEDRO C[C@@H]1CC[N@H+](CCOCCC#N)C[C@@H]1O ZINC000339063354 136271123 /nfs/dbraw/zinc/27/11/23/136271123.db2.gz VQQBSDJNODGFFM-MNOVXSKESA-N 1 0 212.293 0.619 20 30 BCEDRO C[C@H](O)[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339080106 136271272 /nfs/dbraw/zinc/27/12/72/136271272.db2.gz FVIURYIHKRPZHP-WDEREUQCSA-N 1 0 212.293 0.619 20 30 BCEDRO C[C@@H](CNC(=O)[C@@H](C)C#N)C[NH+]1CCCC1 ZINC000062079191 136272014 /nfs/dbraw/zinc/27/20/14/136272014.db2.gz HBVKDQNCWBWFAO-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+]C ZINC000237059126 136272141 /nfs/dbraw/zinc/27/21/41/136272141.db2.gz RDQNGJHVUIAAIX-SECBINFHSA-N 1 0 200.282 0.303 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(C)CC[NH2+]C ZINC000120528403 136275854 /nfs/dbraw/zinc/27/58/54/136275854.db2.gz RWZOZANXKGGUKK-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C[NH2+]CCSCC(=O)NC1(C#N)CCC1 ZINC000576987083 365740496 /nfs/dbraw/zinc/74/04/96/365740496.db2.gz ZKBPGWPBGMEYJN-UHFFFAOYSA-N 1 0 227.333 0.501 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000366300293 136280631 /nfs/dbraw/zinc/28/06/31/136280631.db2.gz YSBSQYFOXOTVJK-QWRGUYRKSA-N 1 0 240.303 0.450 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000339168574 136280664 /nfs/dbraw/zinc/28/06/64/136280664.db2.gz GBBVXJVBGBQVQY-NSHDSACASA-N 1 0 238.331 0.980 20 30 BCEDRO CC#CCN(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000339755004 136280828 /nfs/dbraw/zinc/28/08/28/136280828.db2.gz CGZNWZYUOBXCRT-GFCCVEGCSA-N 1 0 210.321 0.397 20 30 BCEDRO [NH2+]=C(NCc1ccc(O)cc1)NC1CC1 ZINC000264096332 136281327 /nfs/dbraw/zinc/28/13/27/136281327.db2.gz MABNFPZJNHQGJG-UHFFFAOYSA-N 1 0 205.261 0.959 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000298148173 343237885 /nfs/dbraw/zinc/23/78/85/343237885.db2.gz ZPZHDPZFGBFCSI-JTQLQIEISA-N 1 0 211.309 0.601 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000083251315 349801636 /nfs/dbraw/zinc/80/16/36/349801636.db2.gz DUIYNPUOHYSLMG-GFCCVEGCSA-N 1 0 228.336 0.187 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000120405123 136292578 /nfs/dbraw/zinc/29/25/78/136292578.db2.gz PRNQHYSIVKAJHZ-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO CCOC(=O)COCC[NH2+][C@@H](C)CC#N ZINC000602871672 349803845 /nfs/dbraw/zinc/80/38/45/349803845.db2.gz UAAPONCEXOKLCF-VIFPVBQESA-N 1 0 214.265 0.458 20 30 BCEDRO C[C@@H](CC#N)[NH2+]C[C@H]1CCc2ncnn21 ZINC000602871839 349803242 /nfs/dbraw/zinc/80/32/42/349803242.db2.gz YBPSJDRRGQHPRD-DTWKUNHWSA-N 1 0 205.265 0.657 20 30 BCEDRO C[C@@](O)(CCNC(N)=[NH2+])c1ccccc1 ZINC000275032229 136285350 /nfs/dbraw/zinc/28/53/50/136285350.db2.gz CLUKELJLHGUPIU-LLVKDONJSA-N 1 0 207.277 0.558 20 30 BCEDRO COC(=O)c1cnoc1CO[NH+]=C(N)C(C)C ZINC000285000186 136287425 /nfs/dbraw/zinc/28/74/25/136287425.db2.gz CREVUYIGTIMHCT-UHFFFAOYSA-N 1 0 241.247 0.906 20 30 BCEDRO C[NH+](C)CCCNC(=O)NCCCCC#N ZINC000609148002 343321495 /nfs/dbraw/zinc/32/14/95/343321495.db2.gz OZYGKYYMSRIBFS-UHFFFAOYSA-N 1 0 226.324 0.931 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C#N)CCSC2)C1 ZINC000609200992 343369565 /nfs/dbraw/zinc/36/95/65/343369565.db2.gz INFDZGHWKAWABQ-GXSJLCMTSA-N 1 0 239.344 0.454 20 30 BCEDRO C=C(C)CCNC(=O)N1CCC[NH2+]CC1 ZINC000335647779 136304249 /nfs/dbraw/zinc/30/42/49/136304249.db2.gz DDOKBOBXRJPLRL-UHFFFAOYSA-N 1 0 211.309 0.958 20 30 BCEDRO C=C(C)CCn1cc(C[C@@H]([NH3+])CO)nn1 ZINC000641070027 362183194 /nfs/dbraw/zinc/18/31/94/362183194.db2.gz SZWIIGHFGLKNDP-SECBINFHSA-N 1 0 210.281 0.106 20 30 BCEDRO N#Cc1ncc(OCC[C@H]2CC[NH2+]C2)cn1 ZINC000569924966 323044716 /nfs/dbraw/zinc/04/47/16/323044716.db2.gz TXSFYBDZJCJOEZ-SECBINFHSA-N 1 0 218.260 0.727 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000669555257 488215838 /nfs/dbraw/zinc/21/58/38/488215838.db2.gz MBBWCPHQTOKURB-MNOVXSKESA-N 1 0 241.335 0.486 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000669555153 488216005 /nfs/dbraw/zinc/21/60/05/488216005.db2.gz CCIXPIZOUJOJCX-WDEREUQCSA-N 1 0 241.335 0.629 20 30 BCEDRO N#C[C@@H]1CN(C(=O)CCCn2ccnc2)CCO1 ZINC000609268025 343396795 /nfs/dbraw/zinc/39/67/95/343396795.db2.gz AFJJIENQEPJAIR-LLVKDONJSA-N 1 0 248.286 0.414 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000669555267 488216193 /nfs/dbraw/zinc/21/61/93/488216193.db2.gz MLKLAILAQSPLQG-JTQLQIEISA-N 1 0 227.308 0.226 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000619905460 343407836 /nfs/dbraw/zinc/40/78/36/343407836.db2.gz UJUVPMBQJUTYEL-PWSUYJOCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc([C@@H](C)[NH2+]C)nn1 ZINC000641083421 362203676 /nfs/dbraw/zinc/20/36/76/362203676.db2.gz BLKULAMLFZWLPL-PSASIEDQSA-N 1 0 210.281 0.668 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000641083291 362203740 /nfs/dbraw/zinc/20/37/40/362203740.db2.gz ANVBVAPGSSGLBT-CMPLNLGQSA-N 1 0 236.319 0.855 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000669555388 488216511 /nfs/dbraw/zinc/21/65/11/488216511.db2.gz UUYBHALRMDROPB-MNOVXSKESA-N 1 0 241.335 0.486 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000669555448 488216535 /nfs/dbraw/zinc/21/65/35/488216535.db2.gz ZGXWGVCHGWJTHF-BDAKNGLRSA-N 1 0 215.297 0.224 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000669555428 488216786 /nfs/dbraw/zinc/21/67/86/488216786.db2.gz XUKBTERYKSIJKZ-QWRGUYRKSA-N 1 0 241.335 0.581 20 30 BCEDRO C[C@H](CNC(=O)c1cc(C#N)cn1C)[NH+](C)C ZINC000349345090 136342718 /nfs/dbraw/zinc/34/27/18/136342718.db2.gz VAFJIQUETVQEFF-SECBINFHSA-N 1 0 234.303 0.577 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000576986965 365744214 /nfs/dbraw/zinc/74/42/14/365744214.db2.gz XXBKPDQDTFHIJL-MNOVXSKESA-N 1 0 224.304 0.399 20 30 BCEDRO N#CCC1(O)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000329314737 136364988 /nfs/dbraw/zinc/36/49/88/136364988.db2.gz CMHIIXVUNUQQEK-NSHDSACASA-N 1 0 249.314 0.100 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC2(CO)CC3(CCC3)C2)N1 ZINC000262674583 136374793 /nfs/dbraw/zinc/37/47/93/136374793.db2.gz SQYIUYYRYSXVSM-SNVBAGLBSA-N 1 0 237.347 0.867 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnn(CCOC)c1 ZINC000289854986 136375536 /nfs/dbraw/zinc/37/55/36/136375536.db2.gz OEQSYQKBPCRFPH-LLVKDONJSA-N 1 0 225.292 0.166 20 30 BCEDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CC1(CC#N)CC1 ZINC000602895624 349813161 /nfs/dbraw/zinc/81/31/61/349813161.db2.gz BHUGCPSZXLRBMK-WDEREUQCSA-N 1 0 224.304 0.498 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000616511788 343487845 /nfs/dbraw/zinc/48/78/45/343487845.db2.gz LEVAXRJJZFKBAA-LLVKDONJSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000616566219 343511688 /nfs/dbraw/zinc/51/16/88/343511688.db2.gz JPDFSAKCLBWLNT-CYBMUJFWSA-N 1 0 240.347 0.868 20 30 BCEDRO CN(C[C@@H](O)C[NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000310807766 343578404 /nfs/dbraw/zinc/57/84/04/343578404.db2.gz IBZZBBCJFVDSJL-NSHDSACASA-N 1 0 248.286 0.342 20 30 BCEDRO CN1CC[N@H+](CCCC(C)(C)C#N)[C@@H](CO)C1 ZINC000602904819 349818982 /nfs/dbraw/zinc/81/89/82/349818982.db2.gz OQFNRNLEBQLNDR-GFCCVEGCSA-N 1 0 239.363 0.925 20 30 BCEDRO COC[C@](C)(CO)[NH2+]CC1(CC#N)CC1 ZINC000602931119 349822258 /nfs/dbraw/zinc/82/22/58/349822258.db2.gz HBUUQHVVBHIZIV-JTQLQIEISA-N 1 0 212.293 0.667 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)Cn1cc(C#N)cn1 ZINC000379872637 343644892 /nfs/dbraw/zinc/64/48/92/343644892.db2.gz RGDKPRZDPXCFGG-SNVBAGLBSA-N 1 0 208.265 0.067 20 30 BCEDRO COC[C@@](C)(CO)[NH2+]Cc1ccnc(C#N)c1 ZINC000602932600 349823390 /nfs/dbraw/zinc/82/33/90/349823390.db2.gz QIYJUGQWYDTLMA-GFCCVEGCSA-N 1 0 235.287 0.440 20 30 BCEDRO C[NH+](C)C1CCN(c2cnc(C#N)cn2)CC1 ZINC000071178819 343625416 /nfs/dbraw/zinc/62/54/16/343625416.db2.gz ZSNWSHCHHXDEAN-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO CO[C@@H]1C[N@H+](CCCC#N)[C@](C)(CO)C1 ZINC000602963607 349826430 /nfs/dbraw/zinc/82/64/30/349826430.db2.gz HGBLQSFMAJPVFC-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO C[N@H+](CCNC(=O)C1(C#N)CCC1)C1CC1 ZINC000083797981 343672255 /nfs/dbraw/zinc/67/22/55/343672255.db2.gz KKXZVKUVUNINDC-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)CC[N@@H+]1C ZINC000380067741 343676502 /nfs/dbraw/zinc/67/65/02/343676502.db2.gz ZHPBBGCDETXGRQ-ZJUUUORDSA-N 1 0 231.303 0.665 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1ccn(C)n1 ZINC000380004902 365795327 /nfs/dbraw/zinc/79/53/27/365795327.db2.gz OUUOQYKBDBARTH-JTQLQIEISA-N 1 0 209.293 0.694 20 30 BCEDRO C=CCOCCCNC(=O)Cn1cncc1C ZINC000628088090 343691347 /nfs/dbraw/zinc/69/13/47/343691347.db2.gz UMTFQVVZUWHAHG-UHFFFAOYSA-N 1 0 237.303 0.900 20 30 BCEDRO C[C@@H](O)CC[N@H+](C)CCOCCC#N ZINC000339005540 343693257 /nfs/dbraw/zinc/69/32/57/343693257.db2.gz RJTPNMSMHMXASA-SNVBAGLBSA-N 1 0 200.282 0.619 20 30 BCEDRO N#CCCOCC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000339142069 343694860 /nfs/dbraw/zinc/69/48/60/343694860.db2.gz RXZYZQQPSHEAKJ-MNOVXSKESA-N 1 0 228.292 0.046 20 30 BCEDRO C=CCCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634712809 343702479 /nfs/dbraw/zinc/70/24/79/343702479.db2.gz MOCQSCYZZLUIIM-LBPRGKRZSA-N 1 0 243.347 0.835 20 30 BCEDRO C=C(CC)C[NH2+]C[C@H](O)CC1(O)CCOCC1 ZINC000634715621 343707313 /nfs/dbraw/zinc/70/73/13/343707313.db2.gz GYHMPEWVVJYUMX-GFCCVEGCSA-N 1 0 243.347 0.835 20 30 BCEDRO C#CC[NH2+][C@H](C)c1cccc(S(N)(=O)=O)c1 ZINC000035046484 166192641 /nfs/dbraw/zinc/19/26/41/166192641.db2.gz WUEQWEHIUFVSSQ-SECBINFHSA-N 1 0 238.312 0.618 20 30 BCEDRO COC[C@@H](O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000602980292 349844880 /nfs/dbraw/zinc/84/48/80/349844880.db2.gz OGERUGOISBODGK-VWYCJHECSA-N 1 0 212.293 0.618 20 30 BCEDRO CC#CCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418723013 192064984 /nfs/dbraw/zinc/06/49/84/192064984.db2.gz NIHIMVLNUUFDFU-WDEREUQCSA-N 1 0 223.320 0.826 20 30 BCEDRO C#CCNC(=O)NCC1([NH+](C)C)CCCC1 ZINC000061113544 343723018 /nfs/dbraw/zinc/72/30/18/343723018.db2.gz AOOMPZPQTKLAHN-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@H]([NH3+])CC ZINC000418730717 192065231 /nfs/dbraw/zinc/06/52/31/192065231.db2.gz PAYFXRHFGCRVDH-NXEZZACHSA-N 1 0 229.324 0.208 20 30 BCEDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000576644393 343755566 /nfs/dbraw/zinc/75/55/66/343755566.db2.gz DJQBWDOSRCUCII-JOYOIKCWSA-N 1 0 217.272 0.908 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634723080 343763990 /nfs/dbraw/zinc/76/39/90/343763990.db2.gz ZQOZDXIPBUPWRE-IJLUTSLNSA-N 1 0 229.320 0.035 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634723079 343764265 /nfs/dbraw/zinc/76/42/65/343764265.db2.gz ZQOZDXIPBUPWRE-GRYCIOLGSA-N 1 0 229.320 0.035 20 30 BCEDRO C=CCOCCC[NH2+][C@@](C)(CC)C(N)=O ZINC000309184336 346978422 /nfs/dbraw/zinc/97/84/22/346978422.db2.gz OJRQWYBUGKDHLA-NSHDSACASA-N 1 0 214.309 0.823 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CCN1CCOC[C@@H]1C#N ZINC000179251012 346978101 /nfs/dbraw/zinc/97/81/01/346978101.db2.gz HBADQBUMRDHXDB-RYUDHWBXSA-N 1 0 223.320 0.695 20 30 BCEDRO C=C(C)CN(C)C(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418753754 192066465 /nfs/dbraw/zinc/06/64/65/192066465.db2.gz DGUHQHMYZQFXDR-NSHDSACASA-N 1 0 240.351 0.108 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000625700005 344039663 /nfs/dbraw/zinc/03/96/63/344039663.db2.gz GODBVDVEXQNJMJ-SNVBAGLBSA-N 1 0 232.349 0.563 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000625700004 344039785 /nfs/dbraw/zinc/03/97/85/344039785.db2.gz GODBVDVEXQNJMJ-JTQLQIEISA-N 1 0 232.349 0.563 20 30 BCEDRO C=CC[C@@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC000625701034 344041123 /nfs/dbraw/zinc/04/11/23/344041123.db2.gz GQBHPYSTHSRDSX-LLVKDONJSA-N 1 0 223.320 0.910 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000418794181 192067535 /nfs/dbraw/zinc/06/75/35/192067535.db2.gz PEZZJOGFHZNMJG-GRYCIOLGSA-N 1 0 235.331 0.697 20 30 BCEDRO N#CC1(Cn2cc(C[C@H]3CC[NH2+]C3)nn2)CC1 ZINC000603226900 349890014 /nfs/dbraw/zinc/89/00/14/349890014.db2.gz HJYFDBVXMWMGDB-SNVBAGLBSA-N 1 0 231.303 0.734 20 30 BCEDRO C=C(C)[C@H](CO)n1cc(CSCC[NH3+])nn1 ZINC000603232750 349892146 /nfs/dbraw/zinc/89/21/46/349892146.db2.gz FSJARTQMKDBCPW-JTQLQIEISA-N 1 0 242.348 0.580 20 30 BCEDRO N#Cc1ccc(OCC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000584239193 343935043 /nfs/dbraw/zinc/93/50/43/343935043.db2.gz ZVSCWTGEPWJYOH-LLVKDONJSA-N 1 0 245.282 0.497 20 30 BCEDRO C=CCC[C@H](O)Cn1cc(CCCC[NH3+])nn1 ZINC000641211845 362273150 /nfs/dbraw/zinc/27/31/50/362273150.db2.gz CSCKGQYPFPSZRQ-LBPRGKRZSA-N 1 0 238.335 0.887 20 30 BCEDRO C=CCC[C@H](O)Cn1cc(CC[NH+](C)C)nn1 ZINC000641212356 362274339 /nfs/dbraw/zinc/27/43/39/362274339.db2.gz KBZNXJPUGGBDOH-LBPRGKRZSA-N 1 0 238.335 0.709 20 30 BCEDRO CCN1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CC1=O ZINC000602686039 343961915 /nfs/dbraw/zinc/96/19/15/343961915.db2.gz VGEPRVWICNLIBN-LBPRGKRZSA-N 1 0 244.298 0.664 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](C[C@H](O)COCCOC)C1 ZINC000625703812 344048401 /nfs/dbraw/zinc/04/84/01/344048401.db2.gz SSULMHNPCKOFBW-STQMWFEESA-N 1 0 243.347 0.908 20 30 BCEDRO CCC#C[C@H](C)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000625708224 344050833 /nfs/dbraw/zinc/05/08/33/344050833.db2.gz RFFIVEIJZLRYCQ-SRVKXCTJSA-N 1 0 211.305 0.321 20 30 BCEDRO C#CCSCCNC(=O)C[N@@H+](CC)C1CC1 ZINC000152883708 166201929 /nfs/dbraw/zinc/20/19/29/166201929.db2.gz XGMMCRFFWVWRQU-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO C=CCC[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625807779 344079910 /nfs/dbraw/zinc/07/99/10/344079910.db2.gz WTJQNWMBUYZJDF-UHFFFAOYSA-N 1 0 249.318 0.590 20 30 BCEDRO N#CCCCN1CCN(C(=O)C2CC2)CC1 ZINC000067130672 344141320 /nfs/dbraw/zinc/14/13/20/344141320.db2.gz PGMAWSJLCRDUPG-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634743344 344161791 /nfs/dbraw/zinc/16/17/91/344161791.db2.gz QTXIGZVNWWGRRN-NWDGAFQWSA-N 1 0 240.347 0.866 20 30 BCEDRO C[NH+](C)C[C@H](CO)NC(=O)c1cccc(C#N)c1 ZINC000588863786 344195820 /nfs/dbraw/zinc/19/58/20/344195820.db2.gz OQWASBBDIDIJEB-GFCCVEGCSA-N 1 0 247.298 0.211 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCCO1 ZINC000293887607 344263738 /nfs/dbraw/zinc/26/37/38/344263738.db2.gz DFIIZGQUWLYSJO-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CCOC ZINC000293903641 344269468 /nfs/dbraw/zinc/26/94/68/344269468.db2.gz FNPQWQWPDAFURN-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600734349 344364585 /nfs/dbraw/zinc/36/45/85/344364585.db2.gz IVNUWYKRQYKGDJ-NSHDSACASA-N 1 0 224.304 0.833 20 30 BCEDRO N#CC1(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000600734614 344365049 /nfs/dbraw/zinc/36/50/49/344365049.db2.gz IAELGBCUYIIGLT-NSHDSACASA-N 1 0 223.320 0.336 20 30 BCEDRO N#CC1(CNC[C@@H](O)C[NH+]2CCCC2)CC1 ZINC000600734613 344365075 /nfs/dbraw/zinc/36/50/75/344365075.db2.gz IAELGBCUYIIGLT-LLVKDONJSA-N 1 0 223.320 0.336 20 30 BCEDRO COC[C@@H](C[NH2+]C[C@@H](O)CC1(C#N)CC1)OC ZINC000600735678 344365266 /nfs/dbraw/zinc/36/52/66/344365266.db2.gz PCIKLSHFYDEIBI-WDEREUQCSA-N 1 0 242.319 0.292 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCCCCO)CC1 ZINC000600736550 344365608 /nfs/dbraw/zinc/36/56/08/344365608.db2.gz BSIKUZSZAVBGKB-NSHDSACASA-N 1 0 226.320 0.793 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000600738748 344366364 /nfs/dbraw/zinc/36/63/64/344366364.db2.gz MJWFVXWCYGKOOT-HBNTYKKESA-N 1 0 224.304 0.544 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000600740782 344366766 /nfs/dbraw/zinc/36/67/66/344366766.db2.gz BMLGBTUWKOSRJF-IJLUTSLNSA-N 1 0 238.331 0.934 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H](O)C2CC2)CC1 ZINC000600740799 344366828 /nfs/dbraw/zinc/36/68/28/344366828.db2.gz BYUTZPNMQCVTFB-WDEREUQCSA-N 1 0 224.304 0.402 20 30 BCEDRO Cc1cc(C[NH2+]C[C@H](O)CC2(C#N)CC2)n(C)n1 ZINC000600740499 344366833 /nfs/dbraw/zinc/36/68/33/344366833.db2.gz IMZCUEZHFPLLOS-GFCCVEGCSA-N 1 0 248.330 0.873 20 30 BCEDRO C=CC(C)(C)CC[NH2+]CCC(=O)NC(N)=O ZINC000600742589 344367370 /nfs/dbraw/zinc/36/73/70/344367370.db2.gz FGVYLRLBWRAQPQ-UHFFFAOYSA-N 1 0 227.308 0.763 20 30 BCEDRO C[C@@H](CCCO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600741242 344367415 /nfs/dbraw/zinc/36/74/15/344367415.db2.gz CTWWWPIIKUEHFA-WDEREUQCSA-N 1 0 226.320 0.792 20 30 BCEDRO C[C@@H](CCCO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600741240 344367550 /nfs/dbraw/zinc/36/75/50/344367550.db2.gz CTWWWPIIKUEHFA-QWRGUYRKSA-N 1 0 226.320 0.792 20 30 BCEDRO COC[C@@H](CCO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600744000 344367960 /nfs/dbraw/zinc/36/79/60/344367960.db2.gz NAZIRDQSMJLBCR-GHMZBOCLSA-N 1 0 242.319 0.028 20 30 BCEDRO Cn1cc(CC[NH2+]C[C@@H](O)CC2(C#N)CC2)cn1 ZINC000600716364 344362059 /nfs/dbraw/zinc/36/20/59/344362059.db2.gz KPYWSQIGGVMZNK-LBPRGKRZSA-N 1 0 248.330 0.607 20 30 BCEDRO CN1CCC([NH2+]C[C@H](O)CC2(C#N)CC2)CC1 ZINC000600713572 344362065 /nfs/dbraw/zinc/36/20/65/344362065.db2.gz CHYUKRFPYACSIB-GFCCVEGCSA-N 1 0 237.347 0.725 20 30 BCEDRO Cc1nccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)n1 ZINC000600717974 344362438 /nfs/dbraw/zinc/36/24/38/344362438.db2.gz DOWIJRNJMGBNBA-LBPRGKRZSA-N 1 0 246.314 0.929 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000600736701 344363116 /nfs/dbraw/zinc/36/31/16/344363116.db2.gz RVCOCPJIFJMQCU-ZNSHCXBVSA-N 1 0 222.288 0.276 20 30 BCEDRO COCCOCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600723080 344363130 /nfs/dbraw/zinc/36/31/30/344363130.db2.gz UXTFYMOAWWLLNF-NSHDSACASA-N 1 0 242.319 0.294 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCC2(CO)CC2)CC1 ZINC000600750412 344368249 /nfs/dbraw/zinc/36/82/49/344368249.db2.gz VZEBQIXUUZJLKX-NSHDSACASA-N 1 0 238.331 0.793 20 30 BCEDRO CN1CCC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600729325 344364021 /nfs/dbraw/zinc/36/40/21/344364021.db2.gz XTLWKZKVGLIJKM-NWDGAFQWSA-N 1 0 237.347 0.725 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCCn2ccnn2)CC1 ZINC000600736910 344364157 /nfs/dbraw/zinc/36/41/57/344364157.db2.gz TUKYLXLNWRHPJI-LLVKDONJSA-N 1 0 249.318 0.313 20 30 BCEDRO C#CCC[N@@H+]1CC[C@@H](N2CCOCC2)C1 ZINC000132812575 344308392 /nfs/dbraw/zinc/30/83/92/344308392.db2.gz SPVSKCODSJLMLT-GFCCVEGCSA-N 1 0 208.305 0.416 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000084383419 344424947 /nfs/dbraw/zinc/42/49/47/344424947.db2.gz BDXBSJHVVCVERT-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600749780 344368336 /nfs/dbraw/zinc/36/83/36/344368336.db2.gz RMMWOKOORMCVGQ-NEPJUHHUSA-N 1 0 238.331 0.815 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1CC=CC1 ZINC000600751355 344368367 /nfs/dbraw/zinc/36/83/67/344368367.db2.gz PZFJLALFLLGNHP-ZDUSSCGKSA-N 1 0 237.347 0.749 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CC[C@@H](CO)C2)CC1 ZINC000600746332 344368685 /nfs/dbraw/zinc/36/86/85/344368685.db2.gz XDDDRARGVCWKGB-WOPDTQHZSA-N 1 0 238.331 0.792 20 30 BCEDRO CC[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)[C@@H](C)O ZINC000600746741 344368769 /nfs/dbraw/zinc/36/87/69/344368769.db2.gz XFSXWUFIORJUIP-VWYCJHECSA-N 1 0 226.320 0.790 20 30 BCEDRO C[N@H+](CC(=O)N1CC[C@@](F)(C#N)C1)C1CCC1 ZINC000600822874 344380012 /nfs/dbraw/zinc/38/00/12/344380012.db2.gz BZNYOENXICYVLU-GFCCVEGCSA-N 1 0 239.294 0.935 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)CN(C)C(C)C ZINC000491712250 259375741 /nfs/dbraw/zinc/37/57/41/259375741.db2.gz YZIIVGLFUOANOP-LBPRGKRZSA-N 1 0 239.363 0.444 20 30 BCEDRO C[C@@H](CC#N)[NH2+]CCn1cc([N+](=O)[O-])cn1 ZINC000381188346 344483610 /nfs/dbraw/zinc/48/36/10/344483610.db2.gz YFEJLTAGTGUAPE-QMMMGPOBSA-N 1 0 223.236 0.683 20 30 BCEDRO N#Cc1ccc(Cn2cc(CC[NH3+])nn2)cc1 ZINC000072155604 344500442 /nfs/dbraw/zinc/50/04/42/344500442.db2.gz FJMGHZZBPPZDSJ-UHFFFAOYSA-N 1 0 227.271 0.699 20 30 BCEDRO C[NH+]1CCC(NC(=O)c2cccc(C#N)n2)CC1 ZINC000258900692 344512434 /nfs/dbraw/zinc/51/24/34/344512434.db2.gz HOKYVODSGQWEOY-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO N#Cc1ccc(CN2CC[C@H](CO)[C@@H](O)C2)nc1 ZINC000577289958 344515260 /nfs/dbraw/zinc/51/52/60/344515260.db2.gz XVSBLBJQSKDSCU-YPMHNXCESA-N 1 0 247.298 0.128 20 30 BCEDRO CCN1CCN(C(=O)C(C)(C)C#N)CC1 ZINC000044351072 344539437 /nfs/dbraw/zinc/53/94/37/344539437.db2.gz KACHSOKSSLFGDV-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO CC[NH+](CC)CCCNC(=O)[C@@H](C)C#N ZINC000044811016 344548904 /nfs/dbraw/zinc/54/89/04/344548904.db2.gz OHODGCCWMGYVOY-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO N#Cc1ccc(OCC[NH2+]C2(C(N)=O)CC2)cc1 ZINC000152427303 344560071 /nfs/dbraw/zinc/56/00/71/344560071.db2.gz LVIHWISKIBSCTH-UHFFFAOYSA-N 1 0 245.282 0.545 20 30 BCEDRO CN(C)c1ccc(C(N)=[NH+]OCCO)cc1 ZINC000111997709 344610905 /nfs/dbraw/zinc/61/09/05/344610905.db2.gz KNEWLBWQMCIWFW-UHFFFAOYSA-N 1 0 223.276 0.382 20 30 BCEDRO NC(=[NH2+])Nc1nc([C@H]2CCCOC2)cs1 ZINC000183877791 259378727 /nfs/dbraw/zinc/37/87/27/259378727.db2.gz DXDWZFURTCQSND-LURJTMIESA-N 1 0 226.305 0.942 20 30 BCEDRO C=CCNC(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000076105673 344794539 /nfs/dbraw/zinc/79/45/39/344794539.db2.gz HQMIWBRILQQGCU-UHFFFAOYSA-N 1 0 226.324 0.239 20 30 BCEDRO C=CCNC(=[NH2+])NCCCc1nc(C)no1 ZINC000076105904 344794583 /nfs/dbraw/zinc/79/45/83/344794583.db2.gz FUBOGPICGUFJIX-UHFFFAOYSA-N 1 0 223.280 0.401 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000153477624 344885186 /nfs/dbraw/zinc/88/51/86/344885186.db2.gz DUJSWDPFERMVFC-QJPTWQEYSA-N 1 0 229.320 0.395 20 30 BCEDRO N#Cc1ccncc1N1CCC[C@H]([NH3+])C1 ZINC000135799856 344894696 /nfs/dbraw/zinc/89/46/96/344894696.db2.gz CSZTUXVBAXAFRP-JTQLQIEISA-N 1 0 202.261 0.881 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCNC(=O)C[C@H]1C ZINC000363491184 344961272 /nfs/dbraw/zinc/96/12/72/344961272.db2.gz SWPVSZLNKYDKJW-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCNC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000079263956 344949667 /nfs/dbraw/zinc/94/96/67/344949667.db2.gz FEDMKDWFJLTMPM-UHFFFAOYSA-N 1 0 223.320 0.603 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000079264450 344949697 /nfs/dbraw/zinc/94/96/97/344949697.db2.gz USDQACCVNVJLOI-GHMZBOCLSA-N 1 0 221.304 0.546 20 30 BCEDRO N#CCC[NH2+]CCCN1CCCCC1=O ZINC000579463402 345004457 /nfs/dbraw/zinc/00/44/57/345004457.db2.gz RARRGOQNCWUKIO-UHFFFAOYSA-N 1 0 209.293 0.892 20 30 BCEDRO CNS(=O)(=O)[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000156088354 345121632 /nfs/dbraw/zinc/12/16/32/345121632.db2.gz LHHPNLBDGSEXJD-SNVBAGLBSA-N 1 0 245.348 0.304 20 30 BCEDRO N#CCSCCC[N@@H+](CCO)CCCO ZINC000080628492 345367068 /nfs/dbraw/zinc/36/70/68/345367068.db2.gz DRRKHODNTSANSK-UHFFFAOYSA-N 1 0 232.349 0.310 20 30 BCEDRO CC#CCC[N@@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000248392703 345368052 /nfs/dbraw/zinc/36/80/52/345368052.db2.gz LCGOZLXKHVCAOG-MNOVXSKESA-N 1 0 208.305 0.986 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000080626359 345369966 /nfs/dbraw/zinc/36/99/66/345369966.db2.gz YXFHTRXQOXVMFZ-ZDUSSCGKSA-N 1 0 249.358 0.993 20 30 BCEDRO C=CCCCN(C)C(=O)C1([NH3+])CCOCC1 ZINC000159672055 345445813 /nfs/dbraw/zinc/44/58/13/345445813.db2.gz XQDFULYKLSQPIR-UHFFFAOYSA-N 1 0 226.320 0.919 20 30 BCEDRO CNC(=[NH2+])NC[C@](C)(O)c1ccc(F)cc1 ZINC000134183746 345402868 /nfs/dbraw/zinc/40/28/68/345402868.db2.gz SRRKQOQXONLZIU-NSHDSACASA-N 1 0 225.267 0.567 20 30 BCEDRO C=CCNC(NC[C@@H]1CCC[C@H]1O)=[NH+]CC ZINC000081772604 345491031 /nfs/dbraw/zinc/49/10/31/345491031.db2.gz OZPAOXGDLQMAQJ-WDEREUQCSA-N 1 0 225.336 0.889 20 30 BCEDRO N#CCn1cc(COc2ccc(C[NH3+])cc2)nn1 ZINC000600972299 345538929 /nfs/dbraw/zinc/53/89/29/345538929.db2.gz FDAOARNNLQUIRF-UHFFFAOYSA-N 1 0 243.270 0.839 20 30 BCEDRO Cn1cc(C[NH2+][C@@H]2C[C@H]2CO)cc1C#N ZINC000378758077 345543455 /nfs/dbraw/zinc/54/34/55/345543455.db2.gz ZETCQKYWTLEZCO-GXSJLCMTSA-N 1 0 205.261 0.367 20 30 BCEDRO C=CCCC[C@@H](C)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000091509928 345596517 /nfs/dbraw/zinc/59/65/17/345596517.db2.gz NFIFANXYIVPYQA-MNOVXSKESA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCOc1cccnc1C(=O)N(C)CC[NH3+] ZINC000563116530 323093289 /nfs/dbraw/zinc/09/32/89/323093289.db2.gz JYYAWJBXKXWYLA-UHFFFAOYSA-N 1 0 235.287 0.677 20 30 BCEDRO C#CCOc1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093483780 345673983 /nfs/dbraw/zinc/67/39/83/345673983.db2.gz QGDWNCSTLFETOQ-BETUJISGSA-N 1 0 247.294 0.236 20 30 BCEDRO C[N@H+](CCNc1cnc(C#N)cn1)C1CC1 ZINC000082713798 345702296 /nfs/dbraw/zinc/70/22/96/345702296.db2.gz ALCLTOZKEOFSKG-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1ccc(C(=O)N(C)C)[nH]1 ZINC000289336316 166216645 /nfs/dbraw/zinc/21/66/45/166216645.db2.gz HGWIHPGIVNBPKN-VIFPVBQESA-N 1 0 219.288 0.828 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000588977164 345837594 /nfs/dbraw/zinc/83/75/94/345837594.db2.gz GSOHJJDPXMIRON-JTQLQIEISA-N 1 0 241.360 0.831 20 30 BCEDRO C[C@H]1CSCC[N@H+](CC(=O)NCC#N)C1 ZINC000190428551 345977506 /nfs/dbraw/zinc/97/75/06/345977506.db2.gz SSRUYGFZCZVFPR-SECBINFHSA-N 1 0 227.333 0.311 20 30 BCEDRO N#Cc1cc(CN2C[C@@H](F)C[C@H]2CO)ccn1 ZINC000585801209 345992407 /nfs/dbraw/zinc/99/24/07/345992407.db2.gz PWFXEJKBLFPRTM-JQWIXIFHSA-N 1 0 235.262 0.858 20 30 BCEDRO CC[C@@H]1[C@@H](C(=O)N(CC#N)CC#N)CC[N@@H+]1C ZINC000601025304 345999999 /nfs/dbraw/zinc/99/99/99/345999999.db2.gz BPFGKQIRBLSVRZ-WDEREUQCSA-N 1 0 234.303 0.592 20 30 BCEDRO C#CCCC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000161137817 346011657 /nfs/dbraw/zinc/01/16/57/346011657.db2.gz MYQXXPSSUQKTJB-JTQLQIEISA-N 1 0 207.277 0.109 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635767501 346058268 /nfs/dbraw/zinc/05/82/68/346058268.db2.gz TYYBDMDUCJQJOH-NEPJUHHUSA-N 1 0 240.347 0.629 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635798247 346066638 /nfs/dbraw/zinc/06/66/38/346066638.db2.gz XZVWYWGDRQSSOT-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000636005958 346148167 /nfs/dbraw/zinc/14/81/67/346148167.db2.gz SCPKVGATURUXSP-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@H]1C[NH2+]CCN1C(=O)c1cccc(C#N)c1 ZINC000054369857 346198453 /nfs/dbraw/zinc/19/84/53/346198453.db2.gz UPJNORNEUJADHF-JTQLQIEISA-N 1 0 229.283 0.992 20 30 BCEDRO CNC(NCc1ccnc(OC)c1)=[NH+]C ZINC000161488836 346222622 /nfs/dbraw/zinc/22/26/22/346222622.db2.gz ZOOXKNDWVLWNRM-UHFFFAOYSA-N 1 0 208.265 0.385 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1ccncc1N ZINC000641746049 362672709 /nfs/dbraw/zinc/67/27/09/362672709.db2.gz LKTKPEXGDSVAFS-JTQLQIEISA-N 1 0 221.304 0.938 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H](C)[NH+](C)C)nn1 ZINC000636056484 346303612 /nfs/dbraw/zinc/30/36/12/346303612.db2.gz PDIFHNMEVUZZAF-SECBINFHSA-N 1 0 237.307 0.030 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000636109754 346322181 /nfs/dbraw/zinc/32/21/81/346322181.db2.gz AECSCWJHZWXECN-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636116118 346323648 /nfs/dbraw/zinc/32/36/48/346323648.db2.gz NFOZLMQLLQDJCY-KWBADKCTSA-N 1 0 240.347 0.768 20 30 BCEDRO C=CCCC[C@H](C)NC(=O)C(=O)N(C)CC[NH3+] ZINC000419130173 192100759 /nfs/dbraw/zinc/10/07/59/192100759.db2.gz AXIVWGGYJHMUNV-JTQLQIEISA-N 1 0 241.335 0.265 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cn(C)nc1C ZINC000641767911 362698424 /nfs/dbraw/zinc/69/84/24/362698424.db2.gz SELKYWPQXKLZAL-LBPRGKRZSA-N 1 0 221.304 0.592 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)C(C)C)C1=O ZINC000281428919 346358743 /nfs/dbraw/zinc/35/87/43/346358743.db2.gz SHHYFBFUOAEJPU-GHMZBOCLSA-N 1 0 226.320 0.380 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cnc(C)n1C ZINC000641766686 362699606 /nfs/dbraw/zinc/69/96/06/362699606.db2.gz AHBBYVFMBADZRE-NSHDSACASA-N 1 0 221.304 0.592 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cn(C)nc1CC ZINC000641766855 362699827 /nfs/dbraw/zinc/69/98/27/362699827.db2.gz CHOZEPTVXNYTOY-GFCCVEGCSA-N 1 0 235.331 0.846 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]CC1(OC)CCOCC1 ZINC000641767077 362701244 /nfs/dbraw/zinc/70/12/44/362701244.db2.gz GNDAQIYNORKKLJ-GFCCVEGCSA-N 1 0 241.331 0.546 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCO[C@H](C)C1 ZINC000641767098 362701323 /nfs/dbraw/zinc/70/13/23/362701323.db2.gz GTEVVIKOITUOEP-IJLUTSLNSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cncn1C ZINC000641769607 362704062 /nfs/dbraw/zinc/70/40/62/362704062.db2.gz VYMGIEFFZGVEQV-JTQLQIEISA-N 1 0 207.277 0.284 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc(OC)nc1 ZINC000641768318 362705316 /nfs/dbraw/zinc/70/53/16/362705316.db2.gz ZGKVKYSINRQIPM-GFCCVEGCSA-N 1 0 234.299 0.954 20 30 BCEDRO C=CCCC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000267666770 166234248 /nfs/dbraw/zinc/23/42/48/166234248.db2.gz NSLKYHYXPFLROV-SNVBAGLBSA-N 1 0 209.293 0.662 20 30 BCEDRO C=CCCC[C@H](C)NC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000419151071 192101766 /nfs/dbraw/zinc/10/17/66/192101766.db2.gz LZBAJFSVFGNGQT-UWVGGRQHSA-N 1 0 241.335 0.311 20 30 BCEDRO CC#CCN(C)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000563399501 323122900 /nfs/dbraw/zinc/12/29/00/323122900.db2.gz YNUCFPZCLFISKH-NSHDSACASA-N 1 0 208.305 0.808 20 30 BCEDRO CNC(=O)CC[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000300246477 346422938 /nfs/dbraw/zinc/42/29/38/346422938.db2.gz KLYZEICXROGIPT-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCN1CC[C@H](N(C)[C@H]2CC[NH2+]C2)C1=O ZINC000580075516 346513576 /nfs/dbraw/zinc/51/35/76/346513576.db2.gz FNUUEKVTPYSFDQ-QWRGUYRKSA-N 1 0 223.320 0.067 20 30 BCEDRO CCN(CC[NH3+])C(=O)c1ccc(C#N)cc1 ZINC000300832898 346562501 /nfs/dbraw/zinc/56/25/01/346562501.db2.gz OZNXBECJTCBNAQ-UHFFFAOYSA-N 1 0 217.272 0.979 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](C)C#N ZINC000182682577 347103068 /nfs/dbraw/zinc/10/30/68/347103068.db2.gz LNURTVRZKVUGND-WDEREUQCSA-N 1 0 238.335 0.930 20 30 BCEDRO C=C(C)C[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626168093 346536546 /nfs/dbraw/zinc/53/65/46/346536546.db2.gz KCFQMIFONMJMLD-LLVKDONJSA-N 1 0 246.376 0.824 20 30 BCEDRO COC[C@@H](C)C[NH+]1CCN(CC#N)CC1 ZINC000187144031 346555884 /nfs/dbraw/zinc/55/58/84/346555884.db2.gz SYPHQNQRWRBXHK-NSHDSACASA-N 1 0 211.309 0.410 20 30 BCEDRO CC[N@@H+]1CCN(c2cncc(C#N)n2)C[C@@H]1C ZINC000401318428 346577679 /nfs/dbraw/zinc/57/76/79/346577679.db2.gz FFMYYDGDMHWLDE-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@@H]2CCC[C@H]21 ZINC000491122082 346587578 /nfs/dbraw/zinc/58/75/78/346587578.db2.gz SXWNFICGSMOFTP-VXGBXAGGSA-N 1 0 236.315 0.379 20 30 BCEDRO C[C@H]1CCCC[N@H+](CC(=O)NCC#N)C1 ZINC000187978417 346664179 /nfs/dbraw/zinc/66/41/79/346664179.db2.gz RIOPHWDLGQVDHU-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CSC[C@H]1C ZINC000380065533 365837406 /nfs/dbraw/zinc/83/74/06/365837406.db2.gz BYEZOLLFJPGBIG-UTLUCORTSA-N 1 0 226.345 0.465 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)CCCC#N)C1 ZINC000589693178 346727791 /nfs/dbraw/zinc/72/77/91/346727791.db2.gz RRMSBAXLXVVICL-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C[N@H+](CCNC(=O)c1cccc(C#N)n1)C1CC1 ZINC000589333597 346692280 /nfs/dbraw/zinc/69/22/80/346692280.db2.gz TUYOUNHQEHPRBV-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO N#Cc1cc(C[N@H+]2C[C@H]3[C@H](CO)[C@H]3C2)ccn1 ZINC000590005355 346762208 /nfs/dbraw/zinc/76/22/08/346762208.db2.gz AQSMFSSOBZLMNR-ITGUQSILSA-N 1 0 229.283 0.623 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)NC(=O)COc1ccc(C#N)cc1 ZINC000580655377 365850816 /nfs/dbraw/zinc/85/08/16/365850816.db2.gz UWBCJULRRUDEOY-UWVGGRQHSA-N 1 0 247.298 0.789 20 30 BCEDRO CCc1nc(C#N)cc(N2CCC[C@H]([NH3+])C2)n1 ZINC000308244664 346764759 /nfs/dbraw/zinc/76/47/59/346764759.db2.gz VFBGSABFHHXPCI-VIFPVBQESA-N 1 0 231.303 0.838 20 30 BCEDRO CCc1nc(C#N)cc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)n1 ZINC000308241507 346764884 /nfs/dbraw/zinc/76/48/84/346764884.db2.gz JHEHBBYRMZSYSX-GDGBQDQQSA-N 1 0 229.287 0.540 20 30 BCEDRO N#Cc1cncc(N[C@H]2CCC[NH2+]CC2)n1 ZINC000401503806 346750048 /nfs/dbraw/zinc/75/00/48/346750048.db2.gz JBBWCLFXIKXQES-VIFPVBQESA-N 1 0 217.276 0.902 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@@H]2C1 ZINC000589941598 346754305 /nfs/dbraw/zinc/75/43/05/346754305.db2.gz QVVLIDAJHJUJID-ZYHUDNBSSA-N 1 0 244.298 0.662 20 30 BCEDRO C=C[C@@H](CO)[NH2+]C1CCN(CC(F)F)CC1 ZINC000309624937 347124288 /nfs/dbraw/zinc/12/42/88/347124288.db2.gz IRTGJWHKZZAECW-VIFPVBQESA-N 1 0 234.290 0.852 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)CC2(C#N)CC2)C1 ZINC000590168680 346786239 /nfs/dbraw/zinc/78/62/39/346786239.db2.gz URBAKBDJYLOXFU-SNVBAGLBSA-N 1 0 221.304 0.748 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)CC2(C#N)CC2)C1 ZINC000590168679 346786370 /nfs/dbraw/zinc/78/63/70/346786370.db2.gz URBAKBDJYLOXFU-JTQLQIEISA-N 1 0 221.304 0.748 20 30 BCEDRO C[C@H]1CC(=O)NCC[N@@H+]1CCOCCC#N ZINC000590169358 346787322 /nfs/dbraw/zinc/78/73/22/346787322.db2.gz XPQMHXJPEXJZAU-JTQLQIEISA-N 1 0 225.292 0.127 20 30 BCEDRO CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCCO1 ZINC000182293704 346787847 /nfs/dbraw/zinc/78/78/47/346787847.db2.gz GRTSAQSTWJCOOF-NXEZZACHSA-N 1 0 225.292 0.173 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C2(C#N)CCC2)C1 ZINC000590440737 347114053 /nfs/dbraw/zinc/11/40/53/347114053.db2.gz BGRQSEWZXPBRRW-QWRGUYRKSA-N 1 0 233.315 0.843 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000590442956 347116103 /nfs/dbraw/zinc/11/61/03/347116103.db2.gz CCNQJFSPLZVWHZ-UTLUCORTSA-N 1 0 207.277 0.309 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000590442955 347116647 /nfs/dbraw/zinc/11/66/47/347116647.db2.gz CCNQJFSPLZVWHZ-OPRDCNLKSA-N 1 0 207.277 0.309 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000590442953 347116662 /nfs/dbraw/zinc/11/66/62/347116662.db2.gz CCNQJFSPLZVWHZ-KXUCPTDWSA-N 1 0 207.277 0.309 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2COC[C@H]2O)C1 ZINC000601290668 347161050 /nfs/dbraw/zinc/16/10/50/347161050.db2.gz ACIZOTDJYYXDIK-XWLWVQCSSA-N 1 0 210.277 0.418 20 30 BCEDRO CNS(=O)(=O)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000601299154 347175055 /nfs/dbraw/zinc/17/50/55/347175055.db2.gz JCYJNIPPRJDCBN-ZJUUUORDSA-N 1 0 245.348 0.208 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C[N@@H+](CC)C1CC1 ZINC000185729083 347211476 /nfs/dbraw/zinc/21/14/76/347211476.db2.gz FSHDYECHWIMAHV-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCNC(=O)[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000019480799 347229873 /nfs/dbraw/zinc/22/98/73/347229873.db2.gz PHIVZEMOONPISV-LBPRGKRZSA-N 1 0 214.268 0.450 20 30 BCEDRO C=CCN(C(=O)[C@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000368581486 347233317 /nfs/dbraw/zinc/23/33/17/347233317.db2.gz GNJAYVQSITXFQU-CYBMUJFWSA-N 1 0 249.358 0.553 20 30 BCEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000310322620 347263711 /nfs/dbraw/zinc/26/37/11/347263711.db2.gz XNJQMICSYWQJBD-LBPRGKRZSA-N 1 0 239.319 0.238 20 30 BCEDRO CO[C@@H](C)CNC(=[NH2+])Nc1ccccn1 ZINC000189389562 347301912 /nfs/dbraw/zinc/30/19/12/347301912.db2.gz XDVVJAXKWAHXHU-QMMMGPOBSA-N 1 0 208.265 0.843 20 30 BCEDRO C[NH+](C)CCCS(=O)(=O)N1CC(CC#N)C1 ZINC000601464879 347387684 /nfs/dbraw/zinc/38/76/84/347387684.db2.gz RNTVKAAKEMKBFS-UHFFFAOYSA-N 1 0 245.348 0.113 20 30 BCEDRO CNC(=[NH2+])NCC[C@@H]1c2ccccc2NC1=O ZINC000195523267 347457567 /nfs/dbraw/zinc/45/75/67/347457567.db2.gz RFRLLOIQXVMCBJ-SECBINFHSA-N 1 0 232.287 0.647 20 30 BCEDRO NC(=NOCC[NH+]1CCCCC1)c1cnccn1 ZINC000194403866 347420184 /nfs/dbraw/zinc/42/01/84/347420184.db2.gz FEOCCLXHYZDOPD-UHFFFAOYSA-N 1 0 249.318 0.599 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000616235621 347431025 /nfs/dbraw/zinc/43/10/25/347431025.db2.gz PGNXZDDJYHDYIR-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1CC(C[NH+](C)C)C1 ZINC000382155642 347431743 /nfs/dbraw/zinc/43/17/43/347431743.db2.gz IKTSTSISFKVSAR-JTQLQIEISA-N 1 0 209.293 0.556 20 30 BCEDRO C#CC[N@@H+](C)C1CCC(NC(C)=O)CC1 ZINC000490933226 362846196 /nfs/dbraw/zinc/84/61/96/362846196.db2.gz DBXPHHCZKYCQRX-UHFFFAOYSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000380103417 365880866 /nfs/dbraw/zinc/88/08/66/365880866.db2.gz XWPUHCGAKPWGPE-MNOVXSKESA-N 1 0 238.331 0.217 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C1 ZINC000382160157 347477930 /nfs/dbraw/zinc/47/79/30/347477930.db2.gz SMKCJTGPEABXBC-YFKTTZPYSA-N 1 0 224.304 0.808 20 30 BCEDRO C[C@H]1C[C@]1(C#N)C(=O)NCC[N@H+]1CC=CCC1 ZINC000590751168 347503530 /nfs/dbraw/zinc/50/35/30/347503530.db2.gz NXDVGHUEMHUALU-WCQYABFASA-N 1 0 233.315 0.914 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292584490 323150319 /nfs/dbraw/zinc/15/03/19/323150319.db2.gz FZNUAGFFPOCASY-VIFPVBQESA-N 1 0 231.246 0.785 20 30 BCEDRO CCC[C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591241577 347632877 /nfs/dbraw/zinc/63/28/77/347632877.db2.gz KCPATJOBVYYNEM-RYUDHWBXSA-N 1 0 227.352 0.971 20 30 BCEDRO CN(CCC#N)C[C@@H](O)CN1CC(C)(F)C1 ZINC000591241785 347633024 /nfs/dbraw/zinc/63/30/24/347633024.db2.gz QRQBMCBPLBGOBK-SNVBAGLBSA-N 1 0 229.299 0.237 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH+]1CC(C)(C)C1 ZINC000591241768 347633227 /nfs/dbraw/zinc/63/32/27/347633227.db2.gz MOQTZRHIDFUDDL-LLVKDONJSA-N 1 0 225.336 0.535 20 30 BCEDRO CC(C)(C#N)CNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000591356682 347644046 /nfs/dbraw/zinc/64/40/46/347644046.db2.gz YEGGBTFCVRRNLR-JTQLQIEISA-N 1 0 238.335 0.977 20 30 BCEDRO N#C[C@@]1(F)CCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000591359502 347645451 /nfs/dbraw/zinc/64/54/51/347645451.db2.gz BKEZFHDYUQSSLX-KOLCDFICSA-N 1 0 240.282 0.386 20 30 BCEDRO C[C@]1(C#N)CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000591359500 347645500 /nfs/dbraw/zinc/64/55/00/347645500.db2.gz AEBKGABUEXTZLX-ZYHUDNBSSA-N 1 0 236.319 0.684 20 30 BCEDRO CC#CCNC(=O)[C@H]1CCc2nccn2C1 ZINC000364950451 347607322 /nfs/dbraw/zinc/60/73/22/347607322.db2.gz OUXVCDUGNFAZFB-JTQLQIEISA-N 1 0 217.272 0.585 20 30 BCEDRO N#CC1(CN[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@H](O)C2)CC1 ZINC000591663589 347684153 /nfs/dbraw/zinc/68/41/53/347684153.db2.gz CHDNXNHSFIDGAV-XQQFMLRXSA-N 1 0 249.358 0.867 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NCC[NH2+]C2CC2)C1 ZINC000591691974 347690201 /nfs/dbraw/zinc/69/02/01/347690201.db2.gz PLSCUTLBCVWWQE-GXSJLCMTSA-N 1 0 236.319 0.730 20 30 BCEDRO COCC#CC[NH2+][C@@H]1CCCC[C@@H]1C(=O)OC ZINC000590758137 347691184 /nfs/dbraw/zinc/69/11/84/347691184.db2.gz AWXOWABDWVITCF-NWDGAFQWSA-N 1 0 239.315 0.958 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000590752160 347691194 /nfs/dbraw/zinc/69/11/94/347691194.db2.gz OEZSAYLVVSBNEW-OUAUKWLOSA-N 1 0 227.304 0.855 20 30 BCEDRO C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1CCC1 ZINC000591757246 347691674 /nfs/dbraw/zinc/69/16/74/347691674.db2.gz DHQBPVUDUITFGK-YPMHNXCESA-N 1 0 239.363 0.971 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)CSC ZINC000591758715 347691766 /nfs/dbraw/zinc/69/17/66/347691766.db2.gz AUIMJORXYURDLD-VIFPVBQESA-N 1 0 205.323 0.503 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759329 347691933 /nfs/dbraw/zinc/69/19/33/347691933.db2.gz HVQRCORRLDZCEO-LLVKDONJSA-N 1 0 238.335 0.332 20 30 BCEDRO CCOCC[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759709 347692620 /nfs/dbraw/zinc/69/26/20/347692620.db2.gz UMLVPVGLFJPNKN-JTQLQIEISA-N 1 0 214.309 0.913 20 30 BCEDRO COC[C@H](C)OC[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759620 347692730 /nfs/dbraw/zinc/69/27/30/347692730.db2.gz QCKNYRNOOGQVHO-QWRGUYRKSA-N 1 0 244.335 0.538 20 30 BCEDRO N#CCN1CCC([NH2+]CC2(O)CCC2)CC1 ZINC000591735985 347694923 /nfs/dbraw/zinc/69/49/23/347694923.db2.gz CHNXBTXKYMVVHR-UHFFFAOYSA-N 1 0 223.320 0.479 20 30 BCEDRO CC[NH+](CC)[C@H](C)CNc1ncncc1C#N ZINC000591894883 347713261 /nfs/dbraw/zinc/71/32/61/347713261.db2.gz LRGHZQXNJZQEMO-SNVBAGLBSA-N 1 0 233.319 0.912 20 30 BCEDRO C=CCOCCNC(=O)[C@H](CC)[NH+](C)C ZINC000679586855 488359610 /nfs/dbraw/zinc/35/96/10/488359610.db2.gz WETCAMCXKQINRI-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)CCCC[NH3+])C1 ZINC000592255537 347764703 /nfs/dbraw/zinc/76/47/03/347764703.db2.gz ONCAZYJKMHOPMU-VHSXEESVSA-N 1 0 209.293 0.924 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc[nH]c1=O ZINC000592070068 347727470 /nfs/dbraw/zinc/72/74/70/347727470.db2.gz DOSJFCWSBRMUQF-MRVPVSSYSA-N 1 0 234.259 0.747 20 30 BCEDRO CCN(C)C(=O)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592149623 347740813 /nfs/dbraw/zinc/74/08/13/347740813.db2.gz SHVFFCATKLSHJG-GFCCVEGCSA-N 1 0 239.319 0.205 20 30 BCEDRO N#CC[C@]1(O)CCN(CC[NH+]2CCCCC2)C1 ZINC000592150282 347741869 /nfs/dbraw/zinc/74/18/69/347741869.db2.gz DETREFNCWVQZAR-ZDUSSCGKSA-N 1 0 237.347 0.823 20 30 BCEDRO N#CC[C@]1(O)CC[N@@H+](CCCCCO)C1 ZINC000592151104 347742689 /nfs/dbraw/zinc/74/26/89/347742689.db2.gz LYOLJPIUBIAISW-NSHDSACASA-N 1 0 212.293 0.499 20 30 BCEDRO CCC[C@@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592154134 347744464 /nfs/dbraw/zinc/74/44/64/347744464.db2.gz PPHMCTFSMCNVKK-GHMZBOCLSA-N 1 0 212.293 0.498 20 30 BCEDRO Cc1nn(C[C@H]2CC[NH2+]C2)c(=O)c(C#N)c1C ZINC000592159553 347745944 /nfs/dbraw/zinc/74/59/44/347745944.db2.gz OYOFOFFHOHIOLK-JTQLQIEISA-N 1 0 232.287 0.341 20 30 BCEDRO N#Cc1c2c(cn(C[C@@H]3CC[NH2+]C3)c1=O)CCC2 ZINC000592165564 347746516 /nfs/dbraw/zinc/74/65/16/347746516.db2.gz AXOJYWVJEDQEKE-SNVBAGLBSA-N 1 0 243.310 0.818 20 30 BCEDRO COC(=O)[C@H]1C[C@@H](O)C[N@H+](CCCC#N)C1 ZINC000592207041 347757302 /nfs/dbraw/zinc/75/73/02/347757302.db2.gz OBNWOQAMMLMBAG-VHSXEESVSA-N 1 0 226.276 0.146 20 30 BCEDRO C=CCC[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592207364 347757426 /nfs/dbraw/zinc/75/74/26/347757426.db2.gz OUYLYEODLMVOSQ-VHSXEESVSA-N 1 0 213.277 0.418 20 30 BCEDRO C=C(C)CC[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592207013 347757735 /nfs/dbraw/zinc/75/77/35/347757735.db2.gz NUAKMDCZDHRRJF-QWRGUYRKSA-N 1 0 227.304 0.808 20 30 BCEDRO COC(=O)[C@@H]1C[C@@H](O)C[N@H+](CCCC#N)C1 ZINC000592207039 347757968 /nfs/dbraw/zinc/75/79/68/347757968.db2.gz OBNWOQAMMLMBAG-NXEZZACHSA-N 1 0 226.276 0.146 20 30 BCEDRO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592524082 347795093 /nfs/dbraw/zinc/79/50/93/347795093.db2.gz VBVZNJGBGIAJCO-LBPRGKRZSA-N 1 0 234.303 0.877 20 30 BCEDRO C=CCN(C)C(=O)c1cnn2c1[C@H](C[NH3+])CCC2 ZINC000592549034 347799676 /nfs/dbraw/zinc/79/96/76/347799676.db2.gz OTHQQVQMCQINLB-JTQLQIEISA-N 1 0 248.330 0.977 20 30 BCEDRO C=CCCOCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000155204614 166271129 /nfs/dbraw/zinc/27/11/29/166271129.db2.gz QULVUIHBDVCDKT-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO CNC(=O)N1CCN([C@@H](C)CCC#N)CC1 ZINC000577283328 365917750 /nfs/dbraw/zinc/91/77/50/365917750.db2.gz SXCMCVXWDFKBEG-JTQLQIEISA-N 1 0 224.308 0.636 20 30 BCEDRO CC[C@@H](C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592755843 347814962 /nfs/dbraw/zinc/81/49/62/347814962.db2.gz BQYLWZSFORMWDW-KXUCPTDWSA-N 1 0 209.293 0.745 20 30 BCEDRO COC[C@@](C)(C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592772389 347816104 /nfs/dbraw/zinc/81/61/04/347816104.db2.gz GXRJSEQJVZOBDI-CKYFFXLPSA-N 1 0 239.319 0.371 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592755551 347817234 /nfs/dbraw/zinc/81/72/34/347817234.db2.gz RTMWMAOHJHBTJX-GMTAPVOTSA-N 1 0 223.320 0.945 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CC[C@](O)(CC#N)C1 ZINC000592837407 347819996 /nfs/dbraw/zinc/81/99/96/347819996.db2.gz ALORXTYMQOYJSC-GFCCVEGCSA-N 1 0 239.319 0.204 20 30 BCEDRO CC[C@@H](C(=O)N1CC[C@@](O)(CC#N)C1)[NH+](C)C ZINC000592844843 347821651 /nfs/dbraw/zinc/82/16/51/347821651.db2.gz GIISXULBBUACBW-JQWIXIFHSA-N 1 0 239.319 0.204 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(C)[C@@H]1CC[NH2+]C1 ZINC000179122998 166272243 /nfs/dbraw/zinc/27/22/43/166272243.db2.gz DNYHPJRPLFFREI-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C[C@H]1[C@@H]([NH3+])CCN1Cc1ccncc1C#N ZINC000592494367 347787582 /nfs/dbraw/zinc/78/75/82/347787582.db2.gz RWZVEAWLEIFYTP-CABZTGNLSA-N 1 0 216.288 0.875 20 30 BCEDRO N#Cc1cnccc1CN1CCC[C@@H]1C[NH3+] ZINC000592474201 347790649 /nfs/dbraw/zinc/79/06/49/347790649.db2.gz WXGQKMURDRIJSZ-GFCCVEGCSA-N 1 0 216.288 0.876 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC12CCCC2 ZINC000593039993 347843131 /nfs/dbraw/zinc/84/31/31/347843131.db2.gz UYLVFWAWIZIFBQ-UHFFFAOYSA-N 1 0 207.277 0.645 20 30 BCEDRO CC[C@@H]1CO[C@@H](CC)CN1CC(=O)NCC#N ZINC000593058029 347848173 /nfs/dbraw/zinc/84/81/73/347848173.db2.gz ICQQLIWJMHGVGD-MNOVXSKESA-N 1 0 239.319 0.516 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593098610 347855149 /nfs/dbraw/zinc/85/51/49/347855149.db2.gz YEJMMSKXAWPJIR-DDIVZENXSA-N 1 0 229.345 0.519 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593098613 347855944 /nfs/dbraw/zinc/85/59/44/347855944.db2.gz YEJMMSKXAWPJIR-USXUVBGUSA-N 1 0 229.345 0.519 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC(C)(C)C[NH3+] ZINC000261591174 166275163 /nfs/dbraw/zinc/27/51/63/166275163.db2.gz VCUAXQJIPNYSQR-SECBINFHSA-N 1 0 214.309 0.821 20 30 BCEDRO CC[C@@H](C#N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000593444177 347892250 /nfs/dbraw/zinc/89/22/50/347892250.db2.gz SHQAOCXCDGFSMO-JTQLQIEISA-N 1 0 249.318 0.933 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000593467950 347900070 /nfs/dbraw/zinc/90/00/70/347900070.db2.gz PQLMZZURMACCTA-MNOVXSKESA-N 1 0 223.320 0.946 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000577385644 365941595 /nfs/dbraw/zinc/94/15/95/365941595.db2.gz MKBVVMMIHPCXHV-NXEZZACHSA-N 1 0 232.349 0.949 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CO)CCF)C1 ZINC000593688035 347927830 /nfs/dbraw/zinc/92/78/30/347927830.db2.gz VVYZKHWGAOWKDF-KXUCPTDWSA-N 1 0 200.257 0.989 20 30 BCEDRO N#CCCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000593707157 347931365 /nfs/dbraw/zinc/93/13/65/347931365.db2.gz BVEQQSRKOOPHNM-UHFFFAOYSA-N 1 0 224.308 0.718 20 30 BCEDRO C=CCSCCNC(=O)N(C)CCC[NH3+] ZINC000577367078 365935020 /nfs/dbraw/zinc/93/50/20/365935020.db2.gz UWDVPCFCOFJFRG-UHFFFAOYSA-N 1 0 231.365 0.896 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000593538873 347908901 /nfs/dbraw/zinc/90/89/01/347908901.db2.gz RJQMJYIVWOWSKH-MXWKQRLJSA-N 1 0 239.319 0.371 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CC[C@](F)(C#N)C1 ZINC000593973156 347985492 /nfs/dbraw/zinc/98/54/92/347985492.db2.gz MEPNEXNWRHRVHG-QWRGUYRKSA-N 1 0 229.299 0.237 20 30 BCEDRO C[C@H](O)C[N@H+](CCOCCC#N)C1CC1 ZINC000594063607 347997606 /nfs/dbraw/zinc/99/76/06/347997606.db2.gz JHSUQWNBZMSDFM-JTQLQIEISA-N 1 0 212.293 0.762 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N(CC#N)C2CC2)C1 ZINC000594247617 348025493 /nfs/dbraw/zinc/02/54/93/348025493.db2.gz AHMZJLQCIYPTIZ-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO C[C@H](C#N)CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594246970 348025634 /nfs/dbraw/zinc/02/56/34/348025634.db2.gz CKANUHFCFGYNMI-MXWKQRLJSA-N 1 0 238.335 0.785 20 30 BCEDRO CC(C)[C@@](C)([NH2+]Cc1ccc(C#N)cn1)C(N)=O ZINC000593986438 347979603 /nfs/dbraw/zinc/97/96/03/347979603.db2.gz BGLXRFSILNXITP-CYBMUJFWSA-N 1 0 246.314 0.943 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNc2ncncc2C#N)C1 ZINC000594590803 348079207 /nfs/dbraw/zinc/07/92/07/348079207.db2.gz CBOSLDRVWUWUHZ-JGZJWPJOSA-N 1 0 231.303 0.522 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNc2ccnc(C#N)n2)C1 ZINC000594592568 348079285 /nfs/dbraw/zinc/07/92/85/348079285.db2.gz RXVDFXQDFKIPSI-AOOOYVTPSA-N 1 0 231.303 0.522 20 30 BCEDRO C[C@H](CC#N)NC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594525688 348069470 /nfs/dbraw/zinc/06/94/70/348069470.db2.gz SYFGNBFKZPPYOV-RITPCOANSA-N 1 0 238.213 0.477 20 30 BCEDRO Cn1nnc2c1CC[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C2 ZINC000594523682 348069846 /nfs/dbraw/zinc/06/98/46/348069846.db2.gz YZQZNAHIQWAHFF-VWYCJHECSA-N 1 0 245.330 0.954 20 30 BCEDRO C=CCCCCC[NH2+]CCC(=O)NC(N)=O ZINC000594577630 348075245 /nfs/dbraw/zinc/07/52/45/348075245.db2.gz VYBDRDXNTLKALW-UHFFFAOYSA-N 1 0 227.308 0.907 20 30 BCEDRO CC1(C)CC[N@H+](CC(=O)NC2(C#N)CC2)C1 ZINC000594292336 348030793 /nfs/dbraw/zinc/03/07/93/348030793.db2.gz FLJZAAWWHITCFQ-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO N#CCCCCC(=O)NCC[NH+]1CCC1 ZINC000594325464 348033781 /nfs/dbraw/zinc/03/37/81/348033781.db2.gz GYMWSDOQQCUCLL-UHFFFAOYSA-N 1 0 209.293 0.892 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)NCC(C)(C)C#N)C1 ZINC000594342097 348036725 /nfs/dbraw/zinc/03/67/25/348036725.db2.gz XVBQGTDGGPEMHM-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO CCOC(=O)CC[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000591764571 490125383 /nfs/dbraw/zinc/12/53/83/490125383.db2.gz CEKWUCSXOFCUCT-SNVBAGLBSA-N 1 0 240.303 0.584 20 30 BCEDRO CN1CCN(C(=O)CCCCC#N)[C@@H](C[NH3+])C1 ZINC000594427574 348043933 /nfs/dbraw/zinc/04/39/33/348043933.db2.gz VCDSITUTQDMLPI-NSHDSACASA-N 1 0 238.335 0.172 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCSCC1 ZINC000594430335 348045445 /nfs/dbraw/zinc/04/54/45/348045445.db2.gz ZQRKSJUVSSHJGT-JTQLQIEISA-N 1 0 241.360 0.973 20 30 BCEDRO CO[C@@H](C)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436983 348050310 /nfs/dbraw/zinc/05/03/10/348050310.db2.gz LDULHQKVPXHIAT-VHSXEESVSA-N 1 0 227.308 0.549 20 30 BCEDRO N#CCCCCC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000594424486 348051130 /nfs/dbraw/zinc/05/11/30/348051130.db2.gz FHKJDDVWJGRUAG-JTQLQIEISA-N 1 0 209.293 0.939 20 30 BCEDRO N#CCCCCC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000594424479 348051529 /nfs/dbraw/zinc/05/15/29/348051529.db2.gz FDGQVFSFMFROPA-SNVBAGLBSA-N 1 0 209.293 0.939 20 30 BCEDRO COC(C)(C)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594443038 348054986 /nfs/dbraw/zinc/05/49/86/348054986.db2.gz GEPIUWZXNXFWAR-SNVBAGLBSA-N 1 0 241.335 0.939 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)Nc1ccncc1 ZINC000594446828 348056461 /nfs/dbraw/zinc/05/64/61/348056461.db2.gz XOLGFLRVOKZYBG-LLVKDONJSA-N 1 0 232.287 0.853 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCCCN1 ZINC000594452229 348058091 /nfs/dbraw/zinc/05/80/91/348058091.db2.gz FTBLHSONZCSQDT-JTQLQIEISA-N 1 0 224.308 0.525 20 30 BCEDRO N#Cc1ccc2c(c1)CN(C(=O)COCC[NH3+])C2 ZINC000594451786 348058137 /nfs/dbraw/zinc/05/81/37/348058137.db2.gz FUKPASXYXBKZSN-UHFFFAOYSA-N 1 0 245.282 0.376 20 30 BCEDRO COc1cc(C#N)ccc1OC[C@@H]1C[NH2+]CCO1 ZINC000594698621 348101626 /nfs/dbraw/zinc/10/16/26/348101626.db2.gz OHMQKPHIHLUYPC-NSHDSACASA-N 1 0 248.282 0.934 20 30 BCEDRO C=C[C@H](NCC[C@@H](C)[NH+](C)C)C(=O)OC ZINC000594709115 348104333 /nfs/dbraw/zinc/10/43/33/348104333.db2.gz CCZQLTADDJMNIP-ZJUUUORDSA-N 1 0 214.309 0.644 20 30 BCEDRO CC(C)COC[C@@H](O)C[NH+]1CC(CC#N)C1 ZINC000594716790 348106487 /nfs/dbraw/zinc/10/64/87/348106487.db2.gz WLROOQREXBDZMC-LBPRGKRZSA-N 1 0 226.320 0.865 20 30 BCEDRO N#Cc1ccc(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)o1 ZINC000594614787 348083280 /nfs/dbraw/zinc/08/32/80/348083280.db2.gz ZVOQLBYEHSMBGF-WDEREUQCSA-N 1 0 247.298 0.402 20 30 BCEDRO N#Cc1ccc(N2CC3CC2(C[NH3+])C3)nc1 ZINC000594659240 348094112 /nfs/dbraw/zinc/09/41/12/348094112.db2.gz ULAAGAFHVYFOJJ-UHFFFAOYSA-N 1 0 214.272 0.881 20 30 BCEDRO C=CCCS(=O)(=O)NCC[C@@H](C)[NH3+] ZINC000178913191 166290246 /nfs/dbraw/zinc/29/02/46/166290246.db2.gz NRKNBBINEAILBP-MRVPVSSYSA-N 1 0 206.311 0.219 20 30 BCEDRO C=CCCS(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000273901921 166290383 /nfs/dbraw/zinc/29/03/83/166290383.db2.gz HWOVQBOYBFJAGS-UHFFFAOYSA-N 1 0 244.360 0.744 20 30 BCEDRO Cc1c[nH]c(C[NH2+]C2CCN(CC#N)CC2)n1 ZINC000594922820 348156260 /nfs/dbraw/zinc/15/62/60/348156260.db2.gz HLFILIKPRQWDHY-UHFFFAOYSA-N 1 0 233.319 0.796 20 30 BCEDRO C[C@@H](Cn1cncn1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595044693 348179005 /nfs/dbraw/zinc/17/90/05/348179005.db2.gz NSMMGWLTDIVQRA-GARJFASQSA-N 1 0 219.292 0.948 20 30 BCEDRO CC[N@H+](C[C@H](C)C#N)C[C@H]1CNC(=O)C1 ZINC000595297686 348216896 /nfs/dbraw/zinc/21/68/96/348216896.db2.gz JGENPJQCBBEZQV-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO N#Cc1ccc(CCNC(=O)NCC[NH3+])cc1 ZINC000595266733 348219743 /nfs/dbraw/zinc/21/97/43/348219743.db2.gz BHEMGWPDZYBXCT-UHFFFAOYSA-N 1 0 232.287 0.359 20 30 BCEDRO CC1(C#N)CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000595053940 348181275 /nfs/dbraw/zinc/18/12/75/348181275.db2.gz JVHMQZOJPPFAMS-SQLBVSGCSA-N 1 0 221.304 0.937 20 30 BCEDRO C[NH2+]CC(=O)NCCc1ccc(C#N)cc1 ZINC000595252062 348203092 /nfs/dbraw/zinc/20/30/92/348203092.db2.gz ZTSJIEUUHLJDDN-UHFFFAOYSA-N 1 0 217.272 0.436 20 30 BCEDRO C[C@H]([NH3+])C(=O)NCCc1ccc(C#N)cc1 ZINC000595251703 348203445 /nfs/dbraw/zinc/20/34/45/348203445.db2.gz WFEJWBVFXHEUEU-VIFPVBQESA-N 1 0 217.272 0.564 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000595256013 348203882 /nfs/dbraw/zinc/20/38/82/348203882.db2.gz IYNCRWMQBYRECP-NSHDSACASA-N 1 0 239.319 0.716 20 30 BCEDRO C=CCCSCCNC(=O)[C@@H](C)[NH3+] ZINC000595257258 348204927 /nfs/dbraw/zinc/20/49/27/348204927.db2.gz RWPGZTBHZIIAME-MRVPVSSYSA-N 1 0 202.323 0.759 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)NCc1cccc(C#N)c1 ZINC000595266415 348206165 /nfs/dbraw/zinc/20/61/65/348206165.db2.gz RAEIEDYDMCRGHK-JTQLQIEISA-N 1 0 246.314 0.965 20 30 BCEDRO C=CCOCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000595260300 348206237 /nfs/dbraw/zinc/20/62/37/348206237.db2.gz ZGQKHSLZXKEAQU-SNVBAGLBSA-N 1 0 225.292 0.326 20 30 BCEDRO CC(C)(C#N)CNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000595265020 348207673 /nfs/dbraw/zinc/20/76/73/348207673.db2.gz VILSLOGKFBEZTJ-UHFFFAOYSA-N 1 0 236.319 0.669 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595265619 348207687 /nfs/dbraw/zinc/20/76/87/348207687.db2.gz RNYZRTTZQNVGFA-WCBMZHEXSA-N 1 0 210.281 0.279 20 30 BCEDRO CN(CC(C)(C)[NH3+])C(=O)NCC(C)(C)C#N ZINC000595265045 348207752 /nfs/dbraw/zinc/20/77/52/348207752.db2.gz WJLCIKAVLOESFN-UHFFFAOYSA-N 1 0 226.324 0.915 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NCC2([NH3+])CCC2)C1 ZINC000595265900 348208498 /nfs/dbraw/zinc/20/84/98/348208498.db2.gz WNZIXLOTAQXNGT-LLVKDONJSA-N 1 0 236.319 0.813 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)N[C@@H](C[NH3+])C2CC2)C1 ZINC000595268138 348209673 /nfs/dbraw/zinc/20/96/73/348209673.db2.gz QYBMPKVUOYYNOH-JQWIXIFHSA-N 1 0 236.319 0.669 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)N[C@H](C[NH3+])C2CC2)C1 ZINC000595268141 348209714 /nfs/dbraw/zinc/20/97/14/348209714.db2.gz QYBMPKVUOYYNOH-ZYHUDNBSSA-N 1 0 236.319 0.669 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000595267454 348209879 /nfs/dbraw/zinc/20/98/79/348209879.db2.gz LGHIYWLDWCURPT-ONGXEEELSA-N 1 0 222.292 0.293 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@](F)(C#N)C1 ZINC000595275007 348211234 /nfs/dbraw/zinc/21/12/34/348211234.db2.gz DGDIMFJKUKFQDH-PSASIEDQSA-N 1 0 228.271 0.241 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000595275010 348211302 /nfs/dbraw/zinc/21/13/02/348211302.db2.gz DGDIMFJKUKFQDH-WPRPVWTQSA-N 1 0 228.271 0.241 20 30 BCEDRO C[C@H](C#N)C[N@H+](C[C@@H]1CNC(=O)C1)C1CC1 ZINC000595390026 348243668 /nfs/dbraw/zinc/24/36/68/348243668.db2.gz SLORVCBXWFHFSE-ZJUUUORDSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)CCc1ccc(C#N)cc1 ZINC000595489007 348261380 /nfs/dbraw/zinc/26/13/80/348261380.db2.gz IZEWALAEHJUNKZ-GFCCVEGCSA-N 1 0 248.326 0.776 20 30 BCEDRO CC(C)C[NH2+]C1(CO)CCN(CC#N)CC1 ZINC000595512111 348266263 /nfs/dbraw/zinc/26/62/63/348266263.db2.gz QFUWJAJLKJASCG-UHFFFAOYSA-N 1 0 225.336 0.582 20 30 BCEDRO CC[C@@H](CC#N)NC[C@@H](O)C[N@H+](C)C(C)C ZINC000595529090 348272588 /nfs/dbraw/zinc/27/25/88/348272588.db2.gz HISWSTZUAPBXBA-NWDGAFQWSA-N 1 0 227.352 0.969 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCN1C(=O)CN(C)C1=O ZINC000595530512 348273343 /nfs/dbraw/zinc/27/33/43/348273343.db2.gz RCYSPKHLBVAOJW-VIFPVBQESA-N 1 0 238.291 0.162 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1c[nH]c2nccnc12 ZINC000291704288 348281898 /nfs/dbraw/zinc/28/18/98/348281898.db2.gz ZIHJCZPSBDEVQA-SECBINFHSA-N 1 0 218.260 0.594 20 30 BCEDRO C=CC[C@@H]1CCC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000595658703 348298720 /nfs/dbraw/zinc/29/87/20/348298720.db2.gz HTAWBEMRFRLRLF-SECBINFHSA-N 1 0 225.292 0.469 20 30 BCEDRO C[C@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1CCO ZINC000595706059 348308585 /nfs/dbraw/zinc/30/85/85/348308585.db2.gz XDSXFWOGCZDTEK-WDEREUQCSA-N 1 0 239.319 0.109 20 30 BCEDRO C[C@H](CO)[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000595670778 348308940 /nfs/dbraw/zinc/30/89/40/348308940.db2.gz CTARGEQWBUKUSF-GHMZBOCLSA-N 1 0 239.319 0.109 20 30 BCEDRO C[C@H](C#N)N(C[C@H](O)C[N@H+](C)C1CC1)C1CC1 ZINC000595710262 348322176 /nfs/dbraw/zinc/32/21/76/348322176.db2.gz OREJWCKPEFXRFR-ZWNOBZJWSA-N 1 0 237.347 0.818 20 30 BCEDRO C[C@@]12COC[C@H]1C[N@H+](CCOCCC#N)C2 ZINC000595760585 348332553 /nfs/dbraw/zinc/33/25/53/348332553.db2.gz UEFSUAGBMDNVTK-VXGBXAGGSA-N 1 0 224.304 0.885 20 30 BCEDRO C=CCC1([NH2+]CC(=O)NC(N)=O)CCCC1 ZINC000595780569 348334004 /nfs/dbraw/zinc/33/40/04/348334004.db2.gz VJCGWRBIZCARHI-UHFFFAOYSA-N 1 0 225.292 0.660 20 30 BCEDRO CN(CC[NH3+])C(=O)NCc1ccc(CC#N)cc1 ZINC000563092644 349985001 /nfs/dbraw/zinc/98/50/01/349985001.db2.gz LJIUFOGCHONJJN-UHFFFAOYSA-N 1 0 246.314 0.853 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CC[C@@](C)(C#N)C1 ZINC000595840407 348374171 /nfs/dbraw/zinc/37/41/71/348374171.db2.gz AXPWHTFKBRMPMX-NEPJUHHUSA-N 1 0 225.336 0.535 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000268575722 166298119 /nfs/dbraw/zinc/29/81/19/166298119.db2.gz SBMUHTHFVRVZBX-GHMZBOCLSA-N 1 0 227.304 0.808 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@@](C)(C#N)C(C)C ZINC000595864357 348384384 /nfs/dbraw/zinc/38/43/84/348384384.db2.gz ZQMLAMMAUODXGD-PWSUYJOCSA-N 1 0 239.319 0.177 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623487259 362911777 /nfs/dbraw/zinc/91/17/77/362911777.db2.gz YXBYUCBPMLWXIF-LLVKDONJSA-N 1 0 239.363 0.751 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N ZINC000595864335 348384542 /nfs/dbraw/zinc/38/45/42/348384542.db2.gz YLLMIVQIMLZDFN-WDEREUQCSA-N 1 0 239.319 0.131 20 30 BCEDRO CCN(C[C@H](O)C[N@H+](C)CC)[C@@H](C)C#N ZINC000595820717 348362560 /nfs/dbraw/zinc/36/25/60/348362560.db2.gz PBRLYQVSPWDSBW-WDEREUQCSA-N 1 0 213.325 0.533 20 30 BCEDRO CC(C)(NC(=O)C[NH3+])c1cccc(C#N)c1 ZINC000595961908 348405292 /nfs/dbraw/zinc/40/52/92/348405292.db2.gz WLNFSVXDKMDGLK-UHFFFAOYSA-N 1 0 217.272 0.868 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCOCCF ZINC000595991116 348420678 /nfs/dbraw/zinc/42/06/78/348420678.db2.gz GKQWZTABPWMILK-JTQLQIEISA-N 1 0 245.298 0.500 20 30 BCEDRO C[NH2+]CCC(=O)NCCc1ccc(C#N)cc1 ZINC000595938364 348408770 /nfs/dbraw/zinc/40/87/70/348408770.db2.gz PCNIMQKDDTXWOP-UHFFFAOYSA-N 1 0 231.299 0.826 20 30 BCEDRO C=CCCSCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000595940652 348409658 /nfs/dbraw/zinc/40/96/58/348409658.db2.gz STMZMNBPWVXVIT-SNVBAGLBSA-N 1 0 244.360 0.400 20 30 BCEDRO C=C1CC[NH+](CCC(=O)NCC(=O)OC)CC1 ZINC000264695820 187397256 /nfs/dbraw/zinc/39/72/56/187397256.db2.gz IQNHOHQOBJSYHR-UHFFFAOYSA-N 1 0 240.303 0.318 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000595979699 348414215 /nfs/dbraw/zinc/41/42/15/348414215.db2.gz CLWJYWCHDJKHDU-ZYHUDNBSSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)CC[NH2+]C2CC2)C1 ZINC000595979679 348414381 /nfs/dbraw/zinc/41/43/81/348414381.db2.gz CHVMBNPOIMZHLF-LBPRGKRZSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])C1 ZINC000595980412 348414988 /nfs/dbraw/zinc/41/49/88/348414988.db2.gz HVRROPLEYFIPOW-HOSYDEDBSA-N 1 0 237.303 0.112 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595980693 348415016 /nfs/dbraw/zinc/41/50/16/348415016.db2.gz JAMACFFJLWUBPQ-QXEWZRGKSA-N 1 0 209.293 0.732 20 30 BCEDRO C[NH2+]CCCC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595980733 348415884 /nfs/dbraw/zinc/41/58/84/348415884.db2.gz JSNLSJGMWNNOIJ-NSHDSACASA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000595982043 348417473 /nfs/dbraw/zinc/41/74/73/348417473.db2.gz RPWDQKRXMSKVQA-PWSUYJOCSA-N 1 0 237.303 0.127 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)c1ccc(C#N)cc1 ZINC000595985080 348419104 /nfs/dbraw/zinc/41/91/04/348419104.db2.gz VJKRYOBPKXEKIF-VIFPVBQESA-N 1 0 217.272 0.896 20 30 BCEDRO COCC1([NH2+]CC(=O)NCC#N)CCCCC1 ZINC000595910583 348398953 /nfs/dbraw/zinc/39/89/53/348398953.db2.gz KJOTZFWYGMRQIW-UHFFFAOYSA-N 1 0 239.319 0.565 20 30 BCEDRO COC(=O)c1ccc(N[C@@H](C)[C@@H](C)[NH3+])c(C#N)n1 ZINC000596013614 348430039 /nfs/dbraw/zinc/43/00/39/348430039.db2.gz ILGUTUODLFKKFR-SFYZADRCSA-N 1 0 248.286 0.887 20 30 BCEDRO N#Cc1ccc(N2CCC(C[NH3+])CC2)nc1N ZINC000596016016 348430490 /nfs/dbraw/zinc/43/04/90/348430490.db2.gz NBZJAGRARGCWPO-UHFFFAOYSA-N 1 0 231.303 0.711 20 30 BCEDRO N#Cc1cncnc1N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000596016963 348431213 /nfs/dbraw/zinc/43/12/13/348431213.db2.gz WYRHXBXLCBABLM-GXSJLCMTSA-N 1 0 229.287 0.536 20 30 BCEDRO COC(=O)c1ccc(N[C@@H]2CC[NH2+]C2)c(C#N)n1 ZINC000596016294 348431224 /nfs/dbraw/zinc/43/12/24/348431224.db2.gz PDMGODQUIZNJSF-MRVPVSSYSA-N 1 0 246.270 0.514 20 30 BCEDRO N#Cc1cncc(N2CC[C@@H](F)[C@H]([NH3+])C2)n1 ZINC000596021028 348423727 /nfs/dbraw/zinc/42/37/27/348423727.db2.gz LYPGUIWFJOPGNV-RKDXNWHRSA-N 1 0 221.239 0.224 20 30 BCEDRO Cc1cc(N[C@@H](CO)C[NH+](C)C)c(C#N)cn1 ZINC000596244483 348485885 /nfs/dbraw/zinc/48/58/85/348485885.db2.gz QHIQJYLEIRRZLK-LLVKDONJSA-N 1 0 234.303 0.018 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)N1CC(C[NH+](C)C)C1 ZINC000382176402 348486040 /nfs/dbraw/zinc/48/60/40/348486040.db2.gz MMMSJWRCPADRRA-LBPRGKRZSA-N 1 0 223.320 0.946 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1c1cc(C#N)cnn1 ZINC000596247444 348486921 /nfs/dbraw/zinc/48/69/21/348486921.db2.gz OZDVWUYVRDBREB-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO Cn1ncc(C#N)c1NCC[N@H+](C)C1CC1 ZINC000596088213 348443707 /nfs/dbraw/zinc/44/37/07/348443707.db2.gz MPIIWCCYOOMDBT-UHFFFAOYSA-N 1 0 219.292 0.798 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)CCC(=O)NC ZINC000178114818 166302687 /nfs/dbraw/zinc/30/26/87/166302687.db2.gz RLIXHKKXCMIAGV-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3cc(C#N)cnn3)[C@@H]2C1 ZINC000596188680 348457500 /nfs/dbraw/zinc/45/75/00/348457500.db2.gz KYGVRWZBLXJHIR-NWDGAFQWSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3cc(C#N)cnn3)C[C@@H]21 ZINC000596262264 348479021 /nfs/dbraw/zinc/47/90/21/348479021.db2.gz DDBKSKIGWZBXBR-MNOVXSKESA-N 1 0 229.287 0.489 20 30 BCEDRO C[C@H](CNc1c(C#N)cnn1C)C[NH+](C)C ZINC000596237132 348482822 /nfs/dbraw/zinc/48/28/22/348482822.db2.gz DCJKODBIMVOKEA-SECBINFHSA-N 1 0 221.308 0.901 20 30 BCEDRO CN(CC1C[NH+](C)C1)c1ccc(C#N)nn1 ZINC000596452071 348552057 /nfs/dbraw/zinc/55/20/57/348552057.db2.gz AUJNXFQGWHYOAA-UHFFFAOYSA-N 1 0 217.276 0.346 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000596549653 348585586 /nfs/dbraw/zinc/58/55/86/348585586.db2.gz IVBHPIVOUXCULR-VHSXEESVSA-N 1 0 226.324 0.785 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC[C@H](C)[NH+](C)C ZINC000596549652 348585798 /nfs/dbraw/zinc/58/57/98/348585798.db2.gz IVBHPIVOUXCULR-UWVGGRQHSA-N 1 0 226.324 0.785 20 30 BCEDRO C=CCCCCNC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419956081 192152334 /nfs/dbraw/zinc/15/23/34/192152334.db2.gz NYLNRASTZXONQB-JTQLQIEISA-N 1 0 241.335 0.170 20 30 BCEDRO C[C@@H](CCNC(=O)NCC1(C#N)CC1)[NH+](C)C ZINC000596587591 348593602 /nfs/dbraw/zinc/59/36/02/348593602.db2.gz NPBBMXZYLPCNFT-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[NH2+]1 ZINC000596500672 348570252 /nfs/dbraw/zinc/57/02/52/348570252.db2.gz DVRZBWNVJJHPJT-GFCCVEGCSA-N 1 0 246.314 0.956 20 30 BCEDRO CCC[N@@H+]1CC[C@@H](NC(=O)NC[C@H](C)C#N)C1 ZINC000596552368 348576725 /nfs/dbraw/zinc/57/67/25/348576725.db2.gz WBRLOMOAPWNAEF-GHMZBOCLSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H](CC#N)C(=O)NCC1CC[NH+](C)CC1 ZINC000597054062 348653318 /nfs/dbraw/zinc/65/33/18/348653318.db2.gz OACFPSGUHPOUJI-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000597126786 348664343 /nfs/dbraw/zinc/66/43/43/348664343.db2.gz JNDNMHWJNQFBJE-OUAUKWLOSA-N 1 0 231.303 0.928 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000305060374 166304019 /nfs/dbraw/zinc/30/40/19/166304019.db2.gz GHWJOSDEYBOTBD-RYUDHWBXSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@H]1CCCCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420035929 192158533 /nfs/dbraw/zinc/15/85/33/192158533.db2.gz ZJAJXLKOJKCCPJ-ZJUUUORDSA-N 1 0 239.319 0.017 20 30 BCEDRO C[C@@H](CC#N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000596882498 348628691 /nfs/dbraw/zinc/62/86/91/348628691.db2.gz BWFFQBLZNLFLAA-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO C[C@H](CC#N)C(=O)NCC[N@H+](C)C1CC1 ZINC000596923503 348634673 /nfs/dbraw/zinc/63/46/73/348634673.db2.gz VHELBYBSMVCVRP-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@]1(NC(=O)NCC2(CC#N)CC2)CC[NH2+]C1 ZINC000597432699 348735396 /nfs/dbraw/zinc/73/53/96/348735396.db2.gz GUYSYMBHYXGQGV-NSHDSACASA-N 1 0 236.319 0.731 20 30 BCEDRO N#CC1(CNC(=O)N[C@H]2CC23CC[NH2+]CC3)CC1 ZINC000597439344 348737467 /nfs/dbraw/zinc/73/74/67/348737467.db2.gz HPPZIDJDPHNEKP-JTQLQIEISA-N 1 0 248.330 0.731 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000597236065 348701496 /nfs/dbraw/zinc/70/14/96/348701496.db2.gz NRLOBYHUCNCXCP-MNOVXSKESA-N 1 0 223.320 0.946 20 30 BCEDRO N#CC1(CNC(=O)[C@@H]2CCc3nc[nH]c3C2)CC1 ZINC000597609624 348769562 /nfs/dbraw/zinc/76/95/62/348769562.db2.gz KLOWAKGKTYPMRY-SECBINFHSA-N 1 0 244.298 0.935 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000597690038 348780566 /nfs/dbraw/zinc/78/05/66/348780566.db2.gz TVUINVZGFNDNFK-GMTAPVOTSA-N 1 0 221.304 0.699 20 30 BCEDRO C[NH+](C)CC1CN(C(=O)CC(C)(C)C#N)C1 ZINC000597709279 348787570 /nfs/dbraw/zinc/78/75/70/348787570.db2.gz SIDDDQVACIZFDB-UHFFFAOYSA-N 1 0 223.320 0.946 20 30 BCEDRO C[NH+]1CC2(C1)CCN(C(=O)CCCC#N)C2 ZINC000597567005 348761061 /nfs/dbraw/zinc/76/10/61/348761061.db2.gz AANUWTXNPRKCSH-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO C[NH+]1CC2(C1)CCN(C(=O)c1ccc(C#N)[nH]1)C2 ZINC000597570745 348761655 /nfs/dbraw/zinc/76/16/55/348761655.db2.gz CBDHPIFKGNBNSS-UHFFFAOYSA-N 1 0 244.298 0.664 20 30 BCEDRO CC[C@@H](C(=O)N[C@H](C#N)CO)[NH+](CC)CC ZINC000597747774 348812673 /nfs/dbraw/zinc/81/26/73/348812673.db2.gz SMVGEMFIMDVMHA-ZJUUUORDSA-N 1 0 227.308 0.107 20 30 BCEDRO C[C@H](C#N)C(=O)NCCN(C)CCC[NH+](C)C ZINC000597989555 348851273 /nfs/dbraw/zinc/85/12/73/348851273.db2.gz GFELRSRMWMSFBK-LLVKDONJSA-N 1 0 240.351 0.146 20 30 BCEDRO C[C@H](CC#N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597992439 348852088 /nfs/dbraw/zinc/85/20/88/348852088.db2.gz LEYSTJBZWNQACQ-ZJUUUORDSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@H](CCNC(=O)c1ccc(C#N)[nH]1)[NH+](C)C ZINC000597993390 348852765 /nfs/dbraw/zinc/85/27/65/348852765.db2.gz SRMFLPQDCLZGLP-SECBINFHSA-N 1 0 234.303 0.956 20 30 BCEDRO C[C@H](C#N)N(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000598127585 348893665 /nfs/dbraw/zinc/89/36/65/348893665.db2.gz CHPQHRWNXRTBHO-NXEZZACHSA-N 1 0 221.304 0.841 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)C(C)(C)C#N)CC[NH2+]1 ZINC000598572844 348994201 /nfs/dbraw/zinc/99/42/01/348994201.db2.gz LTTRYIVVLCSDDR-SNVBAGLBSA-N 1 0 223.320 0.993 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H](O)C1 ZINC000598586980 348995675 /nfs/dbraw/zinc/99/56/75/348995675.db2.gz MKMQXVPKKXTKJY-QWRGUYRKSA-N 1 0 226.320 0.744 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@H+](CCO)C1CC1 ZINC000598590187 348996749 /nfs/dbraw/zinc/99/67/49/348996749.db2.gz RQBGRUOSRIONRG-NSHDSACASA-N 1 0 226.320 0.744 20 30 BCEDRO CN1CCN(C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598592098 348997795 /nfs/dbraw/zinc/99/77/95/348997795.db2.gz FVZQQSXLSDFLSR-JTQLQIEISA-N 1 0 239.319 0.061 20 30 BCEDRO C[C@@H]1C[C@@H](O)C[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598620885 349002946 /nfs/dbraw/zinc/00/29/46/349002946.db2.gz PBKAPJUUYRMWTF-IJLUTSLNSA-N 1 0 240.347 0.990 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@H](CCO)C1 ZINC000598593218 348998294 /nfs/dbraw/zinc/99/82/94/348998294.db2.gz QMOSFPUJQKLVNK-VXGBXAGGSA-N 1 0 240.347 0.991 20 30 BCEDRO C[C@@H](O)CC[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598593807 348998568 /nfs/dbraw/zinc/99/85/68/348998568.db2.gz WDQMSSFHYVTGSS-GHMZBOCLSA-N 1 0 228.336 0.990 20 30 BCEDRO C[C@@H](O)CC[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598593813 348998643 /nfs/dbraw/zinc/99/86/43/348998643.db2.gz WDQMSSFHYVTGSS-MNOVXSKESA-N 1 0 228.336 0.990 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H](CCO)C1 ZINC000598593217 348998704 /nfs/dbraw/zinc/99/87/04/348998704.db2.gz QMOSFPUJQKLVNK-RYUDHWBXSA-N 1 0 240.347 0.991 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CC[C@](C)(C#N)C2)CC1 ZINC000598420562 348958111 /nfs/dbraw/zinc/95/81/11/348958111.db2.gz UOHZTSVKSDHNOD-LLVKDONJSA-N 1 0 221.304 0.843 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@@](C)(C#N)C2)C1 ZINC000598409487 348965135 /nfs/dbraw/zinc/96/51/35/348965135.db2.gz BCKCWYAZLMKOCG-JQWIXIFHSA-N 1 0 221.304 0.700 20 30 BCEDRO CC[N@@H+](CC(N)=O)C[C@H](O)CC(C)(C)C#N ZINC000598615856 349001177 /nfs/dbraw/zinc/00/11/77/349001177.db2.gz LTFLASXENDXPFE-SECBINFHSA-N 1 0 227.308 0.094 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598628827 349004784 /nfs/dbraw/zinc/00/47/84/349004784.db2.gz SWVWPLRICFBBMI-ZJUUUORDSA-N 1 0 212.293 0.424 20 30 BCEDRO CNS(=O)(=O)CC[NH+]1CCC(CC#N)CC1 ZINC000598603788 349005922 /nfs/dbraw/zinc/00/59/22/349005922.db2.gz KCIGHABWBXCOSM-UHFFFAOYSA-N 1 0 245.348 0.161 20 30 BCEDRO C[C@H](O)[C@H]1CC[N@H+](C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598604296 349006171 /nfs/dbraw/zinc/00/61/71/349006171.db2.gz QFUDTZAMCSJZGN-SRVKXCTJSA-N 1 0 240.347 0.990 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)CC[C@@H]1O ZINC000598606436 349007226 /nfs/dbraw/zinc/00/72/26/349007226.db2.gz KDKNKFRPIDZHSQ-WOPDTQHZSA-N 1 0 240.347 0.990 20 30 BCEDRO C[C@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598703666 349022493 /nfs/dbraw/zinc/02/24/93/349022493.db2.gz IRUIJBJJAWCPCW-DTWKUNHWSA-N 1 0 200.282 0.258 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2COCCOC2)C1 ZINC000308891236 349025031 /nfs/dbraw/zinc/02/50/31/349025031.db2.gz WZOBKPWHGNSTPD-NXEZZACHSA-N 1 0 210.277 0.684 20 30 BCEDRO Cn1nccc1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598713462 349025168 /nfs/dbraw/zinc/02/51/68/349025168.db2.gz CEUVWMIJTKIJDU-LLVKDONJSA-N 1 0 236.319 0.810 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]C2COCCOC2)C1 ZINC000308891239 349025761 /nfs/dbraw/zinc/02/57/61/349025761.db2.gz WZOBKPWHGNSTPD-UWVGGRQHSA-N 1 0 210.277 0.684 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)c2ccc(C#N)nc2)C1 ZINC000598716294 349025865 /nfs/dbraw/zinc/02/58/65/349025865.db2.gz IOCIBNZRUXNXOC-UHFFFAOYSA-N 1 0 244.298 0.776 20 30 BCEDRO CN1CCC([NH2+]C[C@H](O)CC(C)(C)C#N)CC1 ZINC000598715089 349026104 /nfs/dbraw/zinc/02/61/04/349026104.db2.gz MNTAYQGVDCXOSD-GFCCVEGCSA-N 1 0 239.363 0.971 20 30 BCEDRO CN1CC[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C1=O ZINC000598718723 349027006 /nfs/dbraw/zinc/02/70/06/349027006.db2.gz GNEZJCUGTUEKRY-ZJUUUORDSA-N 1 0 239.319 0.107 20 30 BCEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(=O)N(C)C ZINC000598718751 349027197 /nfs/dbraw/zinc/02/71/97/349027197.db2.gz GSZZIVSCYXSYBQ-NXEZZACHSA-N 1 0 241.335 0.353 20 30 BCEDRO CNC(=O)C[C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598727369 349029959 /nfs/dbraw/zinc/02/99/59/349029959.db2.gz HHUHHHFCEUXZAC-NXEZZACHSA-N 1 0 241.335 0.401 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC(C)(C)CO ZINC000598728312 349030385 /nfs/dbraw/zinc/03/03/85/349030385.db2.gz ANKNPVHLKZHULY-SNVBAGLBSA-N 1 0 228.336 0.895 20 30 BCEDRO COC[C@H](O)CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598729342 349031312 /nfs/dbraw/zinc/03/13/12/349031312.db2.gz IUYKRJWZVQHUGV-GHMZBOCLSA-N 1 0 244.335 0.274 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1C=C[C@H](CO)C1 ZINC000598728682 349031493 /nfs/dbraw/zinc/03/14/93/349031493.db2.gz FGXHIBPZEKNVHM-QJPTWQEYSA-N 1 0 238.331 0.814 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1(CO)CC1 ZINC000598730726 349032483 /nfs/dbraw/zinc/03/24/83/349032483.db2.gz ZTGBJQBVTMJKOH-JTQLQIEISA-N 1 0 226.320 0.649 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CCC[C@H]1O ZINC000598730342 349032597 /nfs/dbraw/zinc/03/25/97/349032597.db2.gz UEAJRDCYCAMHES-GMTAPVOTSA-N 1 0 226.320 0.790 20 30 BCEDRO Cc1nsc(N2CC[C@@H]([NH3+])C2)c1C#N ZINC000420177401 192170112 /nfs/dbraw/zinc/17/01/12/192170112.db2.gz YWJUHBFLGURJGT-SSDOTTSWSA-N 1 0 208.290 0.861 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)o1 ZINC000599010180 349075894 /nfs/dbraw/zinc/07/58/94/349075894.db2.gz RIVAIFVKZDAWSR-SNVBAGLBSA-N 1 0 235.287 0.307 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)s1 ZINC000599012572 349076709 /nfs/dbraw/zinc/07/67/09/349076709.db2.gz TZKWLQZBUFFUCA-GHMZBOCLSA-N 1 0 238.312 0.859 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000599075882 349089106 /nfs/dbraw/zinc/08/91/06/349089106.db2.gz AWUYRFVDMAJESL-TUAOUCFPSA-N 1 0 223.320 0.599 20 30 BCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)[C@H]1CCCCO1 ZINC000599047906 349089780 /nfs/dbraw/zinc/08/97/80/349089780.db2.gz DAKKFTZOIGKNAP-WDEREUQCSA-N 1 0 249.318 0.697 20 30 BCEDRO CCC(CC)[NH2+]CCNc1ccnc(C#N)n1 ZINC000599098445 349093658 /nfs/dbraw/zinc/09/36/58/349093658.db2.gz VBTJVGOUIKZMCX-UHFFFAOYSA-N 1 0 233.319 0.960 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000599079801 349095535 /nfs/dbraw/zinc/09/55/35/349095535.db2.gz PDIUDVPEGJCDIN-AGIUHOORSA-N 1 0 237.347 0.989 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000599084392 349097474 /nfs/dbraw/zinc/09/74/74/349097474.db2.gz BZWOVGWMJZIRRO-YNEHKIRRSA-N 1 0 237.347 0.725 20 30 BCEDRO Cc1ccc(C[N@@H+]2C[C@@H](O)C[C@H]2CO)cc1C#N ZINC000599339723 349151842 /nfs/dbraw/zinc/15/18/42/349151842.db2.gz RTPDXIQRNUVZAC-KBPBESRZSA-N 1 0 246.310 0.794 20 30 BCEDRO C[C@@H](O)CC[N@H+](C)C[C@@H](O)CC1(C#N)CC1 ZINC000599299734 349140990 /nfs/dbraw/zinc/14/09/90/349140990.db2.gz JKAKMOWKESDDCT-MNOVXSKESA-N 1 0 226.320 0.744 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@H+]2C[C@H]3CC[C@@H](C2)O3)CC1 ZINC000599303347 349142401 /nfs/dbraw/zinc/14/24/01/349142401.db2.gz BJFHWXQEAJUZAZ-UTUOFQBUSA-N 1 0 236.315 0.904 20 30 BCEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)[C@H](C)CO ZINC000599362291 349160199 /nfs/dbraw/zinc/16/01/99/349160199.db2.gz JFLYJLHEVQMWKJ-MXWKQRLJSA-N 1 0 226.320 0.648 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)C23CC(C2)C3)CC1 ZINC000599379327 349162939 /nfs/dbraw/zinc/16/29/39/349162939.db2.gz GXGSWWQMYQVBGD-UHFFFAOYSA-N 1 0 233.315 0.891 20 30 BCEDRO C[C@H]1C[C@H]1C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000599434269 349173972 /nfs/dbraw/zinc/17/39/72/349173972.db2.gz WPPMIFMJRLWSRU-QWRGUYRKSA-N 1 0 221.304 0.700 20 30 BCEDRO COC(=O)[C@]1(OC)CC[N@H+](CCCC#N)C1 ZINC000599558838 349217510 /nfs/dbraw/zinc/21/75/10/349217510.db2.gz OKYJFNVRXYRIGH-NSHDSACASA-N 1 0 226.276 0.554 20 30 BCEDRO COC(=O)[C@]1(OC)CC[N@H+](CCCCC#N)C1 ZINC000599563028 349218860 /nfs/dbraw/zinc/21/88/60/349218860.db2.gz LSGLZOYRXRBAGU-LBPRGKRZSA-N 1 0 240.303 0.944 20 30 BCEDRO C[N@H+](CCOCCC#N)CC1(C)COC1 ZINC000599572849 349224045 /nfs/dbraw/zinc/22/40/45/349224045.db2.gz HONNDPFOUFMSIF-UHFFFAOYSA-N 1 0 212.293 0.885 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599633489 349237206 /nfs/dbraw/zinc/23/72/06/349237206.db2.gz RDRUUDSRGFTXKD-YRORDHRNSA-N 1 0 243.372 0.909 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599482012 349202720 /nfs/dbraw/zinc/20/27/20/349202720.db2.gz QHAWUJBDCQRCEU-NXEZZACHSA-N 1 0 210.277 0.178 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CCC(=O)NC(=O)NC)C1 ZINC000599526680 349207381 /nfs/dbraw/zinc/20/73/81/349207381.db2.gz PIGBGFHENXCBDV-SNVBAGLBSA-N 1 0 239.319 0.730 20 30 BCEDRO N#CCCOCC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000599685397 349243517 /nfs/dbraw/zinc/24/35/17/349243517.db2.gz VVBCAVOBPLLNAS-QJPTWQEYSA-N 1 0 224.304 0.762 20 30 BCEDRO CCN(CC[NH3+])C(=O)NCC1(C#N)CC1 ZINC000599915623 349269893 /nfs/dbraw/zinc/26/98/93/349269893.db2.gz BIQJTTWAMFCCTM-UHFFFAOYSA-N 1 0 210.281 0.280 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCCC#N ZINC000599911960 349270062 /nfs/dbraw/zinc/27/00/62/349270062.db2.gz ICPNDQMMLRXWAU-VHSXEESVSA-N 1 0 224.308 0.730 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCCCC#N ZINC000599918381 349270497 /nfs/dbraw/zinc/27/04/97/349270497.db2.gz OZASCYSEQKGDFU-DTWKUNHWSA-N 1 0 210.281 0.340 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000599923342 349271350 /nfs/dbraw/zinc/27/13/50/349271350.db2.gz DRQXTSYRNYLVLE-UKKRHICBSA-N 1 0 236.319 0.728 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1CCC[C@@H]1O ZINC000601969804 349407075 /nfs/dbraw/zinc/40/70/75/349407075.db2.gz UEAJRDCYCAMHES-DCAQKATOSA-N 1 0 226.320 0.790 20 30 BCEDRO C[C@@H](C#N)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000602083537 349431876 /nfs/dbraw/zinc/43/18/76/349431876.db2.gz CZZMEJAFBUQOSH-JTQLQIEISA-N 1 0 239.319 0.373 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](O)C1(C)C ZINC000309157563 350109015 /nfs/dbraw/zinc/10/90/15/350109015.db2.gz XUQDKUJHLUJNSH-DTWKUNHWSA-N 1 0 212.293 0.038 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](O)C1(C)C ZINC000309157562 350109019 /nfs/dbraw/zinc/10/90/19/350109019.db2.gz XUQDKUJHLUJNSH-BDAKNGLRSA-N 1 0 212.293 0.038 20 30 BCEDRO Cc1nc(NC[C@@](C)(O)C[NH+](C)C)ccc1C#N ZINC000291985760 180018534 /nfs/dbraw/zinc/01/85/34/180018534.db2.gz QEGMPVRLUZGAGU-CYBMUJFWSA-N 1 0 248.330 0.986 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1CCC[N@H+]1C ZINC000618523968 350128716 /nfs/dbraw/zinc/12/87/16/350128716.db2.gz XYTYQEUAUGPURJ-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO COCC(C)(C)CN1CC(O)(CC#N)C1 ZINC000426357044 191021524 /nfs/dbraw/zinc/02/15/24/191021524.db2.gz BDJZUKIKFYGXCE-UHFFFAOYSA-N 1 0 212.293 0.619 20 30 BCEDRO CC1(C#N)CC[NH+](C[C@@H]2CCC(=O)N2)CC1 ZINC000303548732 350123668 /nfs/dbraw/zinc/12/36/68/350123668.db2.gz BKUIMBXABKIMKK-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO CCN(CC)CC(=O)n1ncc(C#N)c1N ZINC000057556673 350126725 /nfs/dbraw/zinc/12/67/25/350126725.db2.gz OVWPCEKTQUXGDQ-UHFFFAOYSA-N 1 0 221.264 0.319 20 30 BCEDRO C=CCOc1cccnc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000422748551 192452113 /nfs/dbraw/zinc/45/21/13/192452113.db2.gz VAJBVHYYJGYXHX-JTQLQIEISA-N 1 0 247.298 0.738 20 30 BCEDRO N#Cc1cc(N2C[C@H]3C[NH2+]C[C@H]3C2)ncn1 ZINC000309316315 350305485 /nfs/dbraw/zinc/30/54/85/350305485.db2.gz PJGWOCSDHGQIPT-DTORHVGOSA-N 1 0 215.260 0.004 20 30 BCEDRO CC#CCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000365554616 350345847 /nfs/dbraw/zinc/34/58/47/350345847.db2.gz UAVPIQNBFCHRCQ-STQMWFEESA-N 1 0 222.332 0.541 20 30 BCEDRO CN1CC[C@H]([N@H+](C)CCCCC#N)C1=O ZINC000336651711 350419678 /nfs/dbraw/zinc/41/96/78/350419678.db2.gz VRPAMAZPWYMDIF-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO C=C(C)C[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000336653302 350420749 /nfs/dbraw/zinc/42/07/49/350420749.db2.gz XXHFDUUDLRPPPB-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO CO[C@@H]1C[NH+](CCCSCC#N)C[C@H]1OC ZINC000336663263 350424537 /nfs/dbraw/zinc/42/45/37/350424537.db2.gz FTVJCXNBIDPTBO-GHMZBOCLSA-N 1 0 244.360 0.979 20 30 BCEDRO CC#CCN1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000336673758 350430994 /nfs/dbraw/zinc/43/09/94/350430994.db2.gz QBUMGLFHNJUXMP-QWRGUYRKSA-N 1 0 212.362 0.987 20 30 BCEDRO C=CCC[N@@H+](C)CCS(=O)(=O)N(C)C ZINC000336693125 350449006 /nfs/dbraw/zinc/44/90/06/350449006.db2.gz QWPCTLVHYSDVDO-UHFFFAOYSA-N 1 0 220.338 0.386 20 30 BCEDRO C=CCN(CCOC)[C@H]1CCCNC1=O ZINC000336694175 350449788 /nfs/dbraw/zinc/44/97/88/350449788.db2.gz WXRIXHBRAFDIAV-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000563994828 323342062 /nfs/dbraw/zinc/34/20/62/323342062.db2.gz SQTZCNVQAHVUAP-YPMHNXCESA-N 1 0 240.347 0.866 20 30 BCEDRO Cn1nnnc1CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000618571430 350492180 /nfs/dbraw/zinc/49/21/80/350492180.db2.gz PIKIRGBUUJORAV-UWVGGRQHSA-N 1 0 234.307 0.425 20 30 BCEDRO N#CCC(=O)N1CC[N@@H+]2CCCC[C@H]2C1 ZINC000094439844 350482957 /nfs/dbraw/zinc/48/29/57/350482957.db2.gz JZJIXUDPHBCZCH-JTQLQIEISA-N 1 0 207.277 0.597 20 30 BCEDRO CN(c1cc(C#N)ncn1)[C@H](C[NH3+])C1CC1 ZINC000309453585 350515205 /nfs/dbraw/zinc/51/52/05/350515205.db2.gz RRAQRYRNQLVMCP-SNVBAGLBSA-N 1 0 217.276 0.522 20 30 BCEDRO Cc1ccc(NC(=O)CC[NH2+]CC#CCO)nc1 ZINC000577492860 365968417 /nfs/dbraw/zinc/96/84/17/365968417.db2.gz OTDNXYYBMXEANP-UHFFFAOYSA-N 1 0 247.298 0.304 20 30 BCEDRO C[C@H](CC#N)N(C)CCN1CCOCC1 ZINC000063095440 350571182 /nfs/dbraw/zinc/57/11/82/350571182.db2.gz DRRIVJMLIJPKIR-LLVKDONJSA-N 1 0 211.309 0.553 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C[N@@H+](C)CCC ZINC000337079085 350550219 /nfs/dbraw/zinc/55/02/19/350550219.db2.gz UADIHZZNYRGYBH-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=CCC[NH+]1CCN(CC(=O)N(C)C)CC1 ZINC000606896275 350621565 /nfs/dbraw/zinc/62/15/65/350621565.db2.gz CCJVWVZAETXUMY-UHFFFAOYSA-N 1 0 225.336 0.268 20 30 BCEDRO C=C(C)CNC(=O)NCC[N@@H+](C)CCOC ZINC000156339105 187466848 /nfs/dbraw/zinc/46/68/48/187466848.db2.gz CXGAJLWTPNYHNG-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO COC[C@@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397571553 350920581 /nfs/dbraw/zinc/92/05/81/350920581.db2.gz BZLYESQKWWGHLE-MNOVXSKESA-N 1 0 212.293 0.619 20 30 BCEDRO C#CC[NH2+][C@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000292380969 350958832 /nfs/dbraw/zinc/95/88/32/350958832.db2.gz ZEKRTAKJNXCYCP-PWSUYJOCSA-N 1 0 216.284 0.867 20 30 BCEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CN(C)CCO1 ZINC000129102874 350986695 /nfs/dbraw/zinc/98/66/95/350986695.db2.gz SKGYOXUORBLTKT-ZWNOBZJWSA-N 1 0 249.314 0.960 20 30 BCEDRO N#Cc1nccc(N[C@H]2CCc3nc[nH]c3C2)n1 ZINC000572855863 351085007 /nfs/dbraw/zinc/08/50/07/351085007.db2.gz PFZVELDLFKDQLK-QMMMGPOBSA-N 1 0 240.270 0.463 20 30 BCEDRO C[C@H](C[NH3+])N(C)C(=O)c1cccc(C#N)c1 ZINC000382998903 351162817 /nfs/dbraw/zinc/16/28/17/351162817.db2.gz OGZQYXXQPFGYNX-SECBINFHSA-N 1 0 217.272 0.977 20 30 BCEDRO CC(=O)NCCC[NH2+]Cc1nc(C#N)cs1 ZINC000336645284 187475813 /nfs/dbraw/zinc/47/58/13/187475813.db2.gz APCHJXZFMXJKAA-UHFFFAOYSA-N 1 0 238.316 0.631 20 30 BCEDRO C#CCN(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000071015830 351139820 /nfs/dbraw/zinc/13/98/20/351139820.db2.gz ANCJQIDPFPROCW-SNVBAGLBSA-N 1 0 215.318 0.519 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCc1ncn(C)n1 ZINC000271027552 351395367 /nfs/dbraw/zinc/39/53/67/351395367.db2.gz AVTIWERNUAXMGQ-UHFFFAOYSA-N 1 0 224.312 0.266 20 30 BCEDRO CNC(=[NH2+])NCCc1cccc(C(=O)OC)c1 ZINC000271037328 351396338 /nfs/dbraw/zinc/39/63/38/351396338.db2.gz GSJZFGHTVMVBBL-UHFFFAOYSA-N 1 0 235.287 0.550 20 30 BCEDRO C[N@H+]1CC=C(CNC(=O)CSCC#N)CC1 ZINC000271787590 351437199 /nfs/dbraw/zinc/43/71/99/351437199.db2.gz CCFNVGRNYYIRNJ-UHFFFAOYSA-N 1 0 239.344 0.621 20 30 BCEDRO C[N@@H+]1CC[C@]2(CCN(c3ncncc3C#N)C2)C1 ZINC000386697489 363030248 /nfs/dbraw/zinc/03/02/48/363030248.db2.gz PEIZVCLMXIMRDE-ZDUSSCGKSA-N 1 0 243.314 0.880 20 30 BCEDRO CNC(NCCc1scnc1C)=[NH+]C ZINC000307011831 351419127 /nfs/dbraw/zinc/41/91/27/351419127.db2.gz KFMIZAHQCODPAZ-UHFFFAOYSA-N 1 0 212.322 0.789 20 30 BCEDRO Cc1n[nH]cc1CNC(=[NH2+])N(C)C1CC1 ZINC000273370467 351524996 /nfs/dbraw/zinc/52/49/96/351524996.db2.gz VPJAMWNGLCXMIM-UHFFFAOYSA-N 1 0 207.281 0.627 20 30 BCEDRO N#CCCC[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000273384955 351526100 /nfs/dbraw/zinc/52/61/00/351526100.db2.gz GSVGXYAGGJITEQ-GFCCVEGCSA-N 1 0 231.299 0.976 20 30 BCEDRO CC(C)(O)c1ccc(CNC(N)=[NH2+])cc1 ZINC000274721749 351578696 /nfs/dbraw/zinc/57/86/96/351578696.db2.gz ASRFXYZCFSVQKI-UHFFFAOYSA-N 1 0 207.277 0.687 20 30 BCEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)c1cn[nH]c1 ZINC000274142255 351561271 /nfs/dbraw/zinc/56/12/71/351561271.db2.gz XKVBBMBSICFJNS-ZJUUUORDSA-N 1 0 249.318 0.821 20 30 BCEDRO C=C(C)C[N@@H+](CC)Cc1cnc(N)nc1N ZINC000637837680 351691987 /nfs/dbraw/zinc/69/19/87/351691987.db2.gz KWILWAKTMIQIJX-UHFFFAOYSA-N 1 0 221.308 0.700 20 30 BCEDRO N#CCOc1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc1 ZINC000278777999 351783071 /nfs/dbraw/zinc/78/30/71/351783071.db2.gz NKEMEIINFUBVEF-CHWSQXEVSA-N 1 0 248.282 0.126 20 30 BCEDRO CCN(CC#N)S(=O)(=O)CC[NH+](CC)CC ZINC000340049733 351841101 /nfs/dbraw/zinc/84/11/01/351841101.db2.gz XGUXXIDANXFPPG-UHFFFAOYSA-N 1 0 247.364 0.503 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)CCn2cccn2)C1=O ZINC000282086941 351922351 /nfs/dbraw/zinc/92/23/51/351922351.db2.gz UZOXPEWIRALJGH-LBPRGKRZSA-N 1 0 248.330 0.602 20 30 BCEDRO N#CC1(C(=O)N2CC[N@@H+]3CCC[C@H]3C2)CCC1 ZINC000083798271 351944924 /nfs/dbraw/zinc/94/49/24/351944924.db2.gz FKRPEPCDORADTD-NSHDSACASA-N 1 0 233.315 0.987 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638011286 351888565 /nfs/dbraw/zinc/88/85/65/351888565.db2.gz WDYKYIVOJLHZEZ-NHCYSSNCSA-N 1 0 226.320 0.834 20 30 BCEDRO CO/N=C/C(=O)NCC[N@H+](C)Cc1ccccc1 ZINC000283199026 351963828 /nfs/dbraw/zinc/96/38/28/351963828.db2.gz ZHDYPTYLRWNPCB-XNTDXEJSSA-N 1 0 249.314 0.867 20 30 BCEDRO CO/N=C/C(=O)Nc1cc(C[NH+](C)C)ccn1 ZINC000283833421 351985090 /nfs/dbraw/zinc/98/50/90/351985090.db2.gz ZUOYUTYHRGLYRY-NTUHNPAUSA-N 1 0 236.275 0.714 20 30 BCEDRO C=CC[NH+]1CCC(n2cnc(C(N)=O)c2N)CC1 ZINC000340212888 352057332 /nfs/dbraw/zinc/05/73/32/352057332.db2.gz BBSIHAQRLQXDLY-UHFFFAOYSA-N 1 0 249.318 0.387 20 30 BCEDRO CNC(=[NH2+])NCc1cccc(NC(=O)OC)c1 ZINC000285156148 352025815 /nfs/dbraw/zinc/02/58/15/352025815.db2.gz SCJUNFSFYNFYKC-UHFFFAOYSA-N 1 0 236.275 0.899 20 30 BCEDRO Cc1ccc([C@H](O)CNC2=[NH+]C[C@H](C)N2)cc1 ZINC000285216072 352029115 /nfs/dbraw/zinc/02/91/15/352029115.db2.gz XBBSDZAYLASCDX-CMPLNLGQSA-N 1 0 233.315 0.966 20 30 BCEDRO C=CCN(C)C(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638221341 352080673 /nfs/dbraw/zinc/08/06/73/352080673.db2.gz DTNPWGYRNUYZHX-LBPRGKRZSA-N 1 0 226.320 0.790 20 30 BCEDRO CC#CCCNC(=O)N(C)CCOCC[NH3+] ZINC000627016027 363114846 /nfs/dbraw/zinc/11/48/46/363114846.db2.gz HGFNLIDXEZREMH-UHFFFAOYSA-N 1 0 227.308 0.017 20 30 BCEDRO CC#CCCNC(=O)N(C)CCOCC[NH2+]C ZINC000627015773 363115290 /nfs/dbraw/zinc/11/52/90/363115290.db2.gz BFGIKKPWTAQCKE-UHFFFAOYSA-N 1 0 241.335 0.277 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627015785 363115391 /nfs/dbraw/zinc/11/53/91/363115391.db2.gz BPILZVDUHYUZDM-MNOVXSKESA-N 1 0 223.320 0.840 20 30 BCEDRO C[C@@H](CCC#N)C[N@H+](C)CC(=O)N(C)C ZINC000618887250 352157234 /nfs/dbraw/zinc/15/72/34/352157234.db2.gz PBWNAGCSVAJSGI-JTQLQIEISA-N 1 0 211.309 0.946 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]CC(=O)N1CCOCC1 ZINC000618887996 352162135 /nfs/dbraw/zinc/16/21/35/352162135.db2.gz OCXOEDVYXNYQHD-LLVKDONJSA-N 1 0 239.319 0.375 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H](C)[NH2+]CC)nn1 ZINC000638363451 352173847 /nfs/dbraw/zinc/17/38/47/352173847.db2.gz UKVYGMSKPAXSDK-VIFPVBQESA-N 1 0 237.307 0.078 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)/C=N/OC)CC1 ZINC000289346014 352181022 /nfs/dbraw/zinc/18/10/22/352181022.db2.gz IMBSCKFDZPXLGE-FMIVXFBMSA-N 1 0 225.292 0.385 20 30 BCEDRO C#CC(C)(C)[N@H+](C)CCN1CCNC1=O ZINC000289508917 352188548 /nfs/dbraw/zinc/18/85/48/352188548.db2.gz UZAOFAFKMNJIMA-UHFFFAOYSA-N 1 0 209.293 0.355 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000613329639 363110785 /nfs/dbraw/zinc/11/07/85/363110785.db2.gz SGFQKJBHBNZCET-MXWKQRLJSA-N 1 0 224.304 0.086 20 30 BCEDRO C=CCOCCNC(=O)CCC1C[NH2+]C1 ZINC000638427098 352235079 /nfs/dbraw/zinc/23/50/79/352235079.db2.gz YEDXTIOTXWVFGB-UHFFFAOYSA-N 1 0 212.293 0.305 20 30 BCEDRO N#Cc1ccc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)cn1 ZINC000405337142 352208977 /nfs/dbraw/zinc/20/89/77/352208977.db2.gz ATGBQDWCUGMKLZ-QWHCGFSZSA-N 1 0 244.298 0.208 20 30 BCEDRO C=CCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638406767 352215781 /nfs/dbraw/zinc/21/57/81/352215781.db2.gz NZIRVDKWVYZEFY-LLVKDONJSA-N 1 0 212.293 0.434 20 30 BCEDRO C=CCOCCNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638423606 352231026 /nfs/dbraw/zinc/23/10/26/352231026.db2.gz AOOKOPWMBRGZES-LBPRGKRZSA-N 1 0 242.319 0.061 20 30 BCEDRO COCCCNC(=O)CN(C)[C@@H](C)CCC#N ZINC000411152250 191165421 /nfs/dbraw/zinc/16/54/21/191165421.db2.gz FAAJMZTVGZLXMK-NSHDSACASA-N 1 0 241.335 0.763 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)C[C@@H](C[NH3+])OC)C1 ZINC000638471632 352280623 /nfs/dbraw/zinc/28/06/23/352280623.db2.gz KCDIULJNNQYSPK-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627056599 363174744 /nfs/dbraw/zinc/17/47/44/363174744.db2.gz XUGNEEWHPOGSMR-SNVBAGLBSA-N 1 0 227.308 0.240 20 30 BCEDRO C#CCN(C)C(=O)NCCC[N@@H+](C)CCOC ZINC000292211444 352307861 /nfs/dbraw/zinc/30/78/61/352307861.db2.gz CVLSMKMNYIIOSE-UHFFFAOYSA-N 1 0 241.335 0.229 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(CC)CC[NH3+] ZINC000638520148 352354523 /nfs/dbraw/zinc/35/45/23/352354523.db2.gz NSRZPUXYSGCLGE-SNVBAGLBSA-N 1 0 214.309 0.775 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638502394 352323198 /nfs/dbraw/zinc/32/31/98/352323198.db2.gz BIURGCFSJAXUOQ-NSHDSACASA-N 1 0 238.331 0.980 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638504489 352326753 /nfs/dbraw/zinc/32/67/53/352326753.db2.gz PSYIGQKIKDWWJM-SNVBAGLBSA-N 1 0 224.304 0.590 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC1CC[NH+](C)CC1 ZINC000044822562 352434776 /nfs/dbraw/zinc/43/47/76/352434776.db2.gz HGJCZVYTPWKGGT-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000044823694 352435273 /nfs/dbraw/zinc/43/52/73/352435273.db2.gz WBIMZPYEDFANGN-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC(C)(C)[NH+](C)C ZINC000044827763 352443782 /nfs/dbraw/zinc/44/37/82/352443782.db2.gz CEDYXAGEPIRLPA-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044828065 352444090 /nfs/dbraw/zinc/44/40/90/352444090.db2.gz BEVWDPOKGGQKSH-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO N#CCC[NH2+][C@@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000411773188 191210024 /nfs/dbraw/zinc/21/00/24/191210024.db2.gz SLEWOHQWJIWAAW-RYUDHWBXSA-N 1 0 224.304 0.810 20 30 BCEDRO N#CCC[NH2+][C@@H](C1CC1)[C@]1(CO)CCCO1 ZINC000411773187 191210246 /nfs/dbraw/zinc/21/02/46/191210246.db2.gz SLEWOHQWJIWAAW-NWDGAFQWSA-N 1 0 224.304 0.810 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000638647340 352491012 /nfs/dbraw/zinc/49/10/12/352491012.db2.gz HXXJYXIEXHAXHW-VHSXEESVSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000638647341 352491044 /nfs/dbraw/zinc/49/10/44/352491044.db2.gz HXXJYXIEXHAXHW-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CC[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000334230296 352847329 /nfs/dbraw/zinc/84/73/29/352847329.db2.gz JMMWZGNFQLYXIG-RYUDHWBXSA-N 1 0 210.321 0.967 20 30 BCEDRO C=CCNC(=O)C[NH2+]CC1CC(OCC)C1 ZINC000638847352 353027786 /nfs/dbraw/zinc/02/77/86/353027786.db2.gz QEVAUGWWTRCTTA-UHFFFAOYSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000638830131 353009005 /nfs/dbraw/zinc/00/90/05/353009005.db2.gz MCUXGKIJCHCDKE-YNEHKIRRSA-N 1 0 243.347 0.812 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1ncnn1CC ZINC000638830617 353009515 /nfs/dbraw/zinc/00/95/15/353009515.db2.gz QUBJPHIVCWUCTP-SNVBAGLBSA-N 1 0 224.308 0.572 20 30 BCEDRO CCCNC(=O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336752314 353071490 /nfs/dbraw/zinc/07/14/90/353071490.db2.gz GDWFQMUTFQPGMS-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000638934673 353096815 /nfs/dbraw/zinc/09/68/15/353096815.db2.gz ABZPFGWSANSFBZ-VHSXEESVSA-N 1 0 212.293 0.527 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1CCC[C@H](O)C1 ZINC000052875820 353124629 /nfs/dbraw/zinc/12/46/29/353124629.db2.gz RAGIHTXFWOWLJB-QWRGUYRKSA-N 1 0 239.319 0.204 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](COCC)C1 ZINC000176339935 166367802 /nfs/dbraw/zinc/36/78/02/166367802.db2.gz UNBSJNGARUFNSP-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)c1ccccc1 ZINC000272288319 188090685 /nfs/dbraw/zinc/09/06/85/188090685.db2.gz BCCAGQAXFDOUNE-CYBMUJFWSA-N 1 0 246.310 0.449 20 30 BCEDRO C=CC[C@H](CO)NC(=O)/C=C/C[NH+](C)C ZINC000273555525 188091201 /nfs/dbraw/zinc/09/12/01/188091201.db2.gz GVPYPXLWNJBYMQ-BREXMAIKSA-N 1 0 212.293 0.157 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCC(=O)CC)CC1 ZINC000274583052 188092477 /nfs/dbraw/zinc/09/24/77/188092477.db2.gz ZDBCHPHDIAPVAV-UHFFFAOYSA-N 1 0 236.315 0.427 20 30 BCEDRO C#C[C@@H](C)[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000274776259 188092721 /nfs/dbraw/zinc/09/27/21/188092721.db2.gz KPLKNMSIOWADRV-PWSUYJOCSA-N 1 0 216.284 0.694 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H]1CC(C(=O)OC)=C(C)O1 ZINC000276887567 188094019 /nfs/dbraw/zinc/09/40/19/188094019.db2.gz BQJOOEKOMMGXCR-JTQLQIEISA-N 1 0 223.272 0.787 20 30 BCEDRO C#CCC(CC#C)C(=O)NCC[NH+](C)C ZINC000277465784 188094969 /nfs/dbraw/zinc/09/49/69/188094969.db2.gz MZPKWRCUIUOIRP-UHFFFAOYSA-N 1 0 206.289 0.327 20 30 BCEDRO C=CCOc1cccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000278390273 188095189 /nfs/dbraw/zinc/09/51/89/188095189.db2.gz MWKGZOZEONFCNH-OKILXGFUSA-N 1 0 249.310 0.789 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000275253337 166370236 /nfs/dbraw/zinc/37/02/36/166370236.db2.gz QNFWWCGBCHRUCM-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H]1CN(CC)C[C@H]1C ZINC000336758401 353166573 /nfs/dbraw/zinc/16/65/73/353166573.db2.gz JTVGCCQOHBQTHD-UTUOFQBUSA-N 1 0 212.337 0.853 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000262117077 188087800 /nfs/dbraw/zinc/08/78/00/188087800.db2.gz VZZMTPFHWMYTOR-ONGXEEELSA-N 1 0 226.320 0.821 20 30 BCEDRO CNC(=O)NC(=O)C[N@H+](C)C[C@H]1CC=CCC1 ZINC000330852871 353194606 /nfs/dbraw/zinc/19/46/06/353194606.db2.gz RCVQDRLCMXANDC-JTQLQIEISA-N 1 0 239.319 0.935 20 30 BCEDRO O=C(NCCN1CCOCC1)NCC(F)F ZINC000330934811 353201803 /nfs/dbraw/zinc/20/18/03/353201803.db2.gz KJNJTXQWWKUMJG-UHFFFAOYSA-N 1 0 237.250 0.087 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@H+](CCc2cccnc2)C1 ZINC000330948955 353203038 /nfs/dbraw/zinc/20/30/38/353203038.db2.gz NGIQTMVXMWDETR-GFCCVEGCSA-N 1 0 248.330 0.832 20 30 BCEDRO CC(=O)NCCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336762390 353205889 /nfs/dbraw/zinc/20/58/89/353205889.db2.gz OCMHZXAAEXYOOT-QWRGUYRKSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000331024348 353207989 /nfs/dbraw/zinc/20/79/89/353207989.db2.gz UZWGKEWDDWUWSE-LOWVWBTDSA-N 1 0 240.347 0.818 20 30 BCEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)NCCC#N ZINC000331221098 353231686 /nfs/dbraw/zinc/23/16/86/353231686.db2.gz YLACLUAZQHYAEB-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO CC[NH+]1CCC(NC(=O)N(C)CCCO)CC1 ZINC000331271463 353232829 /nfs/dbraw/zinc/23/28/29/353232829.db2.gz NJBJLEIJCRVEIR-UHFFFAOYSA-N 1 0 243.351 0.699 20 30 BCEDRO C=C(C)CNC(=O)NCCC[N@@H+](C)CCOC ZINC000156543660 188155004 /nfs/dbraw/zinc/15/50/04/188155004.db2.gz GQYNFTKLJGEEPC-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO N#Cc1ccc(CN2CCCC[C@@H]2C(N)=O)o1 ZINC000162025807 188159860 /nfs/dbraw/zinc/15/98/60/188159860.db2.gz RUWNVTUKZICZOP-LLVKDONJSA-N 1 0 233.271 0.991 20 30 BCEDRO C[C@@H]1OCC[C@@H]1[N@H+](CCO)CCCC#N ZINC000331148762 353222505 /nfs/dbraw/zinc/22/25/05/353222505.db2.gz HKRLGNJEVYQDMI-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO C[N@H+](CC(C)(CO)CO)[C@H]1CC[C@@H](C#N)C1 ZINC000331162608 353224346 /nfs/dbraw/zinc/22/43/46/353224346.db2.gz FSRGKXTYVOKLFP-MNOVXSKESA-N 1 0 226.320 0.601 20 30 BCEDRO C[C@@H](CCCO)NC(=O)NC1CC[NH+](C)CC1 ZINC000331348832 353245094 /nfs/dbraw/zinc/24/50/94/353245094.db2.gz UEXWORFYURVASC-JTQLQIEISA-N 1 0 243.351 0.745 20 30 BCEDRO C=C(C)C[N@@H+](C)CCN1C(=O)N[C@H](C)C1=O ZINC000331351058 353245841 /nfs/dbraw/zinc/24/58/41/353245841.db2.gz NZVYBSOVYWRUEX-SECBINFHSA-N 1 0 225.292 0.639 20 30 BCEDRO C=CCOCC(=O)NCC1=CC[N@H+](C)CC1 ZINC000343254761 353251701 /nfs/dbraw/zinc/25/17/01/353251701.db2.gz NKKZQMWSNAXPMM-UHFFFAOYSA-N 1 0 224.304 0.567 20 30 BCEDRO C#CCNC(=O)[C@@H](C[NH3+])c1ccccc1 ZINC000061610988 188184062 /nfs/dbraw/zinc/18/40/62/188184062.db2.gz RZIAYNCSRAPJMI-NSHDSACASA-N 1 0 202.257 0.478 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000627073047 363210185 /nfs/dbraw/zinc/21/01/85/363210185.db2.gz FUXSPTLGZIZVEJ-WDEREUQCSA-N 1 0 223.320 0.956 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)COC1CCOCC1 ZINC000127158340 353263568 /nfs/dbraw/zinc/26/35/68/353263568.db2.gz SLAXPQDNEWIBML-NSHDSACASA-N 1 0 229.320 0.661 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](O)COC ZINC000071263762 353264381 /nfs/dbraw/zinc/26/43/81/353264381.db2.gz ILLHILQWOXBSFW-CYBMUJFWSA-N 1 0 249.310 0.796 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000251682729 353292205 /nfs/dbraw/zinc/29/22/05/353292205.db2.gz NRWWKUPDQUEPAU-OUAUKWLOSA-N 1 0 226.320 0.380 20 30 BCEDRO N#CCSCCC[N@H+]1CCC[C@@H]1C(N)=O ZINC000074981321 353312420 /nfs/dbraw/zinc/31/24/20/353312420.db2.gz QHQQECSZXRSFFX-SECBINFHSA-N 1 0 227.333 0.583 20 30 BCEDRO Cn1cc(C[NH2+][C@H]2CCOC2)cc1C#N ZINC000189596546 353306032 /nfs/dbraw/zinc/30/60/32/353306032.db2.gz GIJMHWJGELTEET-JTQLQIEISA-N 1 0 205.261 0.775 20 30 BCEDRO C#CCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000077668465 353361074 /nfs/dbraw/zinc/36/10/74/353361074.db2.gz WQSSWWZIGKZLKN-UHFFFAOYSA-N 1 0 221.304 0.546 20 30 BCEDRO C=CCN(C(=O)C[C@H]1COCC[NH2+]1)C1CC1 ZINC000131298618 353366328 /nfs/dbraw/zinc/36/63/28/353366328.db2.gz YILUEMKJMUWWLK-JTQLQIEISA-N 1 0 224.304 0.542 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)NOC)CC1 ZINC000076942991 353347250 /nfs/dbraw/zinc/34/72/50/353347250.db2.gz STRNFVQVOZJWDD-UHFFFAOYSA-N 1 0 213.281 0.497 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCSC[C@@H](C)C1 ZINC000190451298 353394726 /nfs/dbraw/zinc/39/47/26/353394726.db2.gz XUNSXRJVVYGZTM-QWRGUYRKSA-N 1 0 240.372 0.809 20 30 BCEDRO C=CCCC(=O)N1CC[C@@H](OC)C[C@H]1C[NH3+] ZINC000165643902 353419950 /nfs/dbraw/zinc/41/99/50/353419950.db2.gz YSPPWKWNAZIRPE-WDEREUQCSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)CCn2ccnc2)C1=O ZINC000281399180 353446118 /nfs/dbraw/zinc/44/61/18/353446118.db2.gz QIBRHXCWHGPPRC-GFCCVEGCSA-N 1 0 248.330 0.602 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CCC[N@@H+](C)CC1 ZINC000281201219 353438222 /nfs/dbraw/zinc/43/82/22/353438222.db2.gz PUSLLJFVPNGIJT-LBPRGKRZSA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](O)C1 ZINC000093345083 353482417 /nfs/dbraw/zinc/48/24/17/353482417.db2.gz JZIQETCZGAWEOP-VWYCJHECSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CO)C1=O ZINC000282880187 353485179 /nfs/dbraw/zinc/48/51/79/353485179.db2.gz VGSOXLLRVULFDF-VHSXEESVSA-N 1 0 212.293 0.086 20 30 BCEDRO CC#CC(=O)NCCN1CCSCC1 ZINC000283099999 353495169 /nfs/dbraw/zinc/49/51/69/353495169.db2.gz GAGIOKYEULNKIB-UHFFFAOYSA-N 1 0 212.318 0.175 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)CC(C)(C)O)C1=O ZINC000281983394 353460567 /nfs/dbraw/zinc/46/05/67/353460567.db2.gz MFNCGNQSQFHFCT-JTQLQIEISA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)COC)C1=O ZINC000281895642 353467693 /nfs/dbraw/zinc/46/76/93/353467693.db2.gz FEYFVWWBPOCFAD-WDEREUQCSA-N 1 0 226.320 0.740 20 30 BCEDRO C#CCCC[N@@H+](CCC)[C@@H]1CC(=O)N(C)C1=O ZINC000282558148 353476133 /nfs/dbraw/zinc/47/61/33/353476133.db2.gz TXVGMBDQHCYUKC-LLVKDONJSA-N 1 0 236.315 0.869 20 30 BCEDRO C=CCN(C)C(=O)C(=O)NCC[NH+](CC)CC ZINC000283652438 353505162 /nfs/dbraw/zinc/50/51/62/353505162.db2.gz CWWOGUJMTFPTJE-UHFFFAOYSA-N 1 0 241.335 0.089 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@@H]1CCCCO1 ZINC000491417657 324156300 /nfs/dbraw/zinc/15/63/00/324156300.db2.gz OFWJUPDYVIWPHZ-LBPRGKRZSA-N 1 0 238.331 0.675 20 30 BCEDRO C=C(Br)CN1CC[C@H](O)C1 ZINC000061708296 353523760 /nfs/dbraw/zinc/52/37/60/353523760.db2.gz ZTQWPJWJJVZQLF-ZETCQYMHSA-N 1 0 206.083 0.962 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@H](C)OC ZINC000285492832 353544276 /nfs/dbraw/zinc/54/42/76/353544276.db2.gz CIZILUHHDICANN-VHSXEESVSA-N 1 0 214.309 0.644 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@](C)(O)CC1 ZINC000230377361 353496077 /nfs/dbraw/zinc/49/60/77/353496077.db2.gz GJPUHRCBFWNNNL-LBPRGKRZSA-N 1 0 226.320 0.526 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)C[C@@H](C)OC ZINC000285867149 353547157 /nfs/dbraw/zinc/54/71/57/353547157.db2.gz XYWNDIVJZZPMOU-ZJUUUORDSA-N 1 0 212.293 0.091 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)C#CC)CC1 ZINC000283284737 353497641 /nfs/dbraw/zinc/49/76/41/353497641.db2.gz SOCIFCLULCPGHG-UHFFFAOYSA-N 1 0 206.289 0.776 20 30 BCEDRO Cc1nc(C(=O)NCC[NH+](C)C)ccc1C#N ZINC000193122971 353575753 /nfs/dbraw/zinc/57/57/53/353575753.db2.gz KNKBYARAGNVYTK-UHFFFAOYSA-N 1 0 232.287 0.553 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000277625540 188448598 /nfs/dbraw/zinc/44/85/98/188448598.db2.gz BVEYMNFVGOWTDY-VWYCJHECSA-N 1 0 224.304 0.139 20 30 BCEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000286101325 353556925 /nfs/dbraw/zinc/55/69/25/353556925.db2.gz LAUOVPUAIWSLGE-LLVKDONJSA-N 1 0 221.304 0.588 20 30 BCEDRO C=CCC[C@H](O)C[N@H+](C)CCC(N)=O ZINC000286497618 353562466 /nfs/dbraw/zinc/56/24/66/353562466.db2.gz PJIXOIGJIAWVIJ-VIFPVBQESA-N 1 0 200.282 0.121 20 30 BCEDRO C=CCN(C)C(=O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000286516284 353562610 /nfs/dbraw/zinc/56/26/10/353562610.db2.gz OSUISOOAQGAHAE-JTQLQIEISA-N 1 0 241.335 0.087 20 30 BCEDRO C=CCNC(=O)CN1CC[N@@H+](CC)C[C@H]1C ZINC000286616762 353563860 /nfs/dbraw/zinc/56/38/60/353563860.db2.gz RUQKWSCDCXSBED-LLVKDONJSA-N 1 0 225.336 0.315 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H](c2nc(=O)[nH][nH]2)C1 ZINC000289518406 353630649 /nfs/dbraw/zinc/63/06/49/353630649.db2.gz VNBOHVHVCGRXTK-SNVBAGLBSA-N 1 0 234.303 0.691 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@H]2CCS(=O)(=O)C2)cc1 ZINC000289117732 353618228 /nfs/dbraw/zinc/61/82/28/353618228.db2.gz NLCDKGPCWIEEOQ-ZDUSSCGKSA-N 1 0 249.335 0.945 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291708430 353697610 /nfs/dbraw/zinc/69/76/10/353697610.db2.gz IKFZPKVBRHOAKD-NWDGAFQWSA-N 1 0 246.314 0.268 20 30 BCEDRO C=C(C)C[N@H+](CC)CCN1CCNC1=O ZINC000290362722 353661419 /nfs/dbraw/zinc/66/14/19/353661419.db2.gz QUVJOMXPKWPZKK-UHFFFAOYSA-N 1 0 211.309 0.910 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000291190587 353682142 /nfs/dbraw/zinc/68/21/42/353682142.db2.gz IARHGBZCIMGUDB-LLVKDONJSA-N 1 0 225.336 0.991 20 30 BCEDRO C=CCNC(=O)CN1CCOC[C@H]1CCOC ZINC000291229018 353682668 /nfs/dbraw/zinc/68/26/68/353682668.db2.gz MFEMCFXZPRKYOD-LLVKDONJSA-N 1 0 242.319 0.026 20 30 BCEDRO CCO[C@H]1C[C@H](NC(=[NH2+])NC)C12CCOCC2 ZINC000184594516 353684428 /nfs/dbraw/zinc/68/44/28/353684428.db2.gz KWXNLUBZDXMKRY-UWVGGRQHSA-N 1 0 241.335 0.495 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)C[C@H](C)OC ZINC000291332090 353686509 /nfs/dbraw/zinc/68/65/09/353686509.db2.gz VTRAPONNHJWTPC-WDEREUQCSA-N 1 0 226.320 0.481 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000291708432 353697306 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30 BCEDRO C=C[C@](C)(O)CC(=O)N1CCC([NH+](C)C)CC1 ZINC000346332616 354898776 /nfs/dbraw/zinc/89/87/76/354898776.db2.gz IROQJFOWLCRVFL-ZDUSSCGKSA-N 1 0 240.347 0.866 20 30 BCEDRO N#Cc1ccncc1N1CCC[N@@H+](CCO)CC1 ZINC000135897852 181159670 /nfs/dbraw/zinc/15/96/70/181159670.db2.gz WQNVNKCEKNBDPU-UHFFFAOYSA-N 1 0 246.314 0.458 20 30 BCEDRO N#Cc1ccnc(N[C@H]2CCC[NH2+]C2)n1 ZINC000231942721 181157185 /nfs/dbraw/zinc/15/71/85/181157185.db2.gz IPHHBYWNHFHYSU-VIFPVBQESA-N 1 0 203.249 0.512 20 30 BCEDRO N#Cc1cnc(NCc2ccc(N)nc2)cn1 ZINC000302837259 181163705 /nfs/dbraw/zinc/16/37/05/181163705.db2.gz XINKYXXNYRREMD-UHFFFAOYSA-N 1 0 226.243 0.938 20 30 BCEDRO CC1(C#N)CC[NH+](CCOCCO)CC1 ZINC000227350956 535276023 /nfs/dbraw/zinc/27/60/23/535276023.db2.gz JRNSFKOTFHDSIE-UHFFFAOYSA-N 1 0 212.293 0.621 20 30 BCEDRO N#Cc1nccnc1N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000266242466 181172756 /nfs/dbraw/zinc/17/27/56/181172756.db2.gz LPOSGVWMHMAEHA-LLVKDONJSA-N 1 0 241.298 0.799 20 30 BCEDRO C=CCC(C)(C)C(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000346733268 355089576 /nfs/dbraw/zinc/08/95/76/355089576.db2.gz UXKBXFVQUHOFAA-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO N#Cc1nccn1CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000371625008 181173424 /nfs/dbraw/zinc/17/34/24/181173424.db2.gz QWFNJMXJMGPYEW-PHIMTYICSA-N 1 0 232.287 0.618 20 30 BCEDRO N#Cc1nccnc1N[C@@H]1CCC[NH2+]C1 ZINC000070950380 181175407 /nfs/dbraw/zinc/17/54/07/181175407.db2.gz PRDAXLDZWKTJBM-MRVPVSSYSA-N 1 0 203.249 0.512 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639232224 355213611 /nfs/dbraw/zinc/21/36/11/355213611.db2.gz CPRZZCOZFPDRJA-UTUOFQBUSA-N 1 0 238.331 0.978 20 30 BCEDRO COC[C@](C)([NH3+])CNc1ncc(C#N)cc1F ZINC000413131253 191357905 /nfs/dbraw/zinc/35/79/05/191357905.db2.gz AJQGPIZYBVXBAE-LLVKDONJSA-N 1 0 238.266 0.868 20 30 BCEDRO COC[C@H](C)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000584346166 355368576 /nfs/dbraw/zinc/36/85/76/355368576.db2.gz VMECFMYZEDUMJS-NEPJUHHUSA-N 1 0 243.351 0.065 20 30 BCEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CC#N ZINC000335798311 355455880 /nfs/dbraw/zinc/45/58/80/355455880.db2.gz ZVQCGVWEJGFJIC-QWRGUYRKSA-N 1 0 221.304 0.985 20 30 BCEDRO C[C@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)CC#N ZINC000335847395 355591399 /nfs/dbraw/zinc/59/13/99/355591399.db2.gz HQUCIVSNSVCCCI-WCBMZHEXSA-N 1 0 207.277 0.499 20 30 BCEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)CC#N ZINC000335847392 355591573 /nfs/dbraw/zinc/59/15/73/355591573.db2.gz HQUCIVSNSVCCCI-SCZZXKLOSA-N 1 0 207.277 0.499 20 30 BCEDRO C=CCOCC(=O)NC[C@@H](C)[NH2+]CC ZINC000336729960 358497073 /nfs/dbraw/zinc/49/70/73/358497073.db2.gz JMEMXPRGQFUTTA-SECBINFHSA-N 1 0 200.282 0.303 20 30 BCEDRO C=CCNC(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000416435522 191745458 /nfs/dbraw/zinc/74/54/58/191745458.db2.gz FMMSYRXGZXXBTB-WDEREUQCSA-N 1 0 223.320 0.860 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000335887097 355678790 /nfs/dbraw/zinc/67/87/90/355678790.db2.gz BTJGVPDWHBDRCQ-RYUDHWBXSA-N 1 0 235.331 0.936 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000335887095 355678793 /nfs/dbraw/zinc/67/87/93/355678793.db2.gz BTJGVPDWHBDRCQ-NEPJUHHUSA-N 1 0 235.331 0.936 20 30 BCEDRO C=CCSCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417347688 191790396 /nfs/dbraw/zinc/79/03/96/191790396.db2.gz WMDYPACVTXAJTE-JTQLQIEISA-N 1 0 243.376 0.957 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cccn(C(F)F)c1=O ZINC000639326672 355732262 /nfs/dbraw/zinc/73/22/62/355732262.db2.gz HMJVMRSRHVVROW-SECBINFHSA-N 1 0 244.241 0.880 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000613485333 363455054 /nfs/dbraw/zinc/45/50/54/363455054.db2.gz KCHJFBMBWCPXBQ-ZJUUUORDSA-N 1 0 249.314 0.568 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](Cc2cnc(N)nc2N)C1 ZINC000639349405 355790364 /nfs/dbraw/zinc/79/03/64/355790364.db2.gz XXRFZVWAWRKKRD-SECBINFHSA-N 1 0 233.319 0.700 20 30 BCEDRO N#Cc1cncnc1N1CCC[C@@H](CC[NH3+])C1 ZINC000383972893 355839574 /nfs/dbraw/zinc/83/95/74/355839574.db2.gz KRRDLQQBVTVGCU-JTQLQIEISA-N 1 0 231.303 0.913 20 30 BCEDRO C=C(C)CNC(=O)NC[C@@H]1COCCN1C ZINC000623908540 355855058 /nfs/dbraw/zinc/85/50/58/355855058.db2.gz FZFDGYLZEBAAMN-SNVBAGLBSA-N 1 0 227.308 0.192 20 30 BCEDRO C=CC1CC[NH+](CC(=O)NC(N)=O)CC1 ZINC000111258348 355877393 /nfs/dbraw/zinc/87/73/93/355877393.db2.gz QRZDKENMDXZBGG-UHFFFAOYSA-N 1 0 211.265 0.079 20 30 BCEDRO N#CCCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609572699 355910387 /nfs/dbraw/zinc/91/03/87/355910387.db2.gz SGNNYGUXADTMBJ-NWDGAFQWSA-N 1 0 223.320 0.431 20 30 BCEDRO C[N@H+](CCCC#N)CCN1CCCC1=O ZINC000609578184 355915476 /nfs/dbraw/zinc/91/54/76/355915476.db2.gz CWLZWTYDDNYPES-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO C[C@@H](CNC(=O)CC(C)(C)C#N)[NH+](C)C ZINC000350917066 355885115 /nfs/dbraw/zinc/88/51/15/355885115.db2.gz HCQXVQZSDLAPFL-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CO)C1 ZINC000216461577 355995232 /nfs/dbraw/zinc/99/52/32/355995232.db2.gz FUGDTNOOFBIZME-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO CC#CCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418031559 191956367 /nfs/dbraw/zinc/95/63/67/191956367.db2.gz OGMOQQIBDHMSAR-SNVBAGLBSA-N 1 0 209.293 0.451 20 30 BCEDRO CC#CCCNC(=O)NC[C@@H](C)C[NH2+]C ZINC000418038618 191957070 /nfs/dbraw/zinc/95/70/70/191957070.db2.gz YWEWAUHMKTWOOH-JTQLQIEISA-N 1 0 211.309 0.555 20 30 BCEDRO COCC[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000351635633 356038350 /nfs/dbraw/zinc/03/83/50/356038350.db2.gz XGUTUHZGRGXNBA-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO CC(C)(C[NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000137457057 356016445 /nfs/dbraw/zinc/01/64/45/356016445.db2.gz HQQFHWXXKUMTSU-UHFFFAOYSA-N 1 0 238.335 0.029 20 30 BCEDRO C[NH2+]C[C@H](C)CNC(=O)NCC1(CC#N)CC1 ZINC000418128643 191983274 /nfs/dbraw/zinc/98/32/74/191983274.db2.gz TUPQKHQXCLYTMR-JTQLQIEISA-N 1 0 238.335 0.835 20 30 BCEDRO [NH3+]CCNC(=O)NCC#Cc1cccc(F)c1 ZINC000418159850 191990368 /nfs/dbraw/zinc/99/03/68/191990368.db2.gz RKJYYAAAQIXHCR-UHFFFAOYSA-N 1 0 235.262 0.435 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)C[NH3+] ZINC000418242431 192003632 /nfs/dbraw/zinc/00/36/32/192003632.db2.gz AWKCTZFISXZYJR-BBBLOLIVSA-N 1 0 227.308 0.366 20 30 BCEDRO CC(=O)N1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000329972855 356154220 /nfs/dbraw/zinc/15/42/20/356154220.db2.gz YHQZNBYDRAOMCR-SNVBAGLBSA-N 1 0 225.292 0.268 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC(C)(C)C[NH3+] ZINC000418244259 192004205 /nfs/dbraw/zinc/00/42/05/192004205.db2.gz CLFXYXDBSBPOHX-BDAKNGLRSA-N 1 0 227.308 0.366 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)CC[NH3+] ZINC000418246468 192004974 /nfs/dbraw/zinc/00/49/74/192004974.db2.gz FWIWSFYZATYVDA-AEJSXWLSSA-N 1 0 227.308 0.366 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCC(C)(C)[NH3+] ZINC000418260375 192006203 /nfs/dbraw/zinc/00/62/03/192006203.db2.gz XZRHPQOMLWSCTM-BDAKNGLRSA-N 1 0 227.308 0.366 20 30 BCEDRO CC(C)(CC#N)CNC(=O)NC(C)(C)C[NH3+] ZINC000418272791 192010563 /nfs/dbraw/zinc/01/05/63/192010563.db2.gz AVVLBBMWFCBKMZ-UHFFFAOYSA-N 1 0 226.324 0.963 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N[C@H]1[C@@H]2COC[C@@H]21 ZINC000329942562 356148488 /nfs/dbraw/zinc/14/84/88/356148488.db2.gz CWQVVSCRWAVLMS-ZNSHCXBVSA-N 1 0 239.319 0.229 20 30 BCEDRO C=CC1CCN(C(=O)NCC[NH2+]C)CC1 ZINC000418320145 192023853 /nfs/dbraw/zinc/02/38/53/192023853.db2.gz STEVLSWASDDJJP-UHFFFAOYSA-N 1 0 211.309 0.813 20 30 BCEDRO C=CCCNC(=O)CCN1CC[NH+](CC)CC1 ZINC000617616094 356186207 /nfs/dbraw/zinc/18/62/07/356186207.db2.gz IZMVZAXVUAIFCV-UHFFFAOYSA-N 1 0 239.363 0.706 20 30 BCEDRO C[C@@H](CC[NH3+])NC(=O)NCC(C)(C)CC#N ZINC000418290806 192016546 /nfs/dbraw/zinc/01/65/46/192016546.db2.gz LXHNUQWEODUSRL-VIFPVBQESA-N 1 0 226.324 0.963 20 30 BCEDRO N#CC1(C[N@H+]2CC[C@@]3(CNC(=O)C3)C2)CC1 ZINC000333081189 134086821 /nfs/dbraw/zinc/08/68/21/134086821.db2.gz XDTANNUGPSBXRL-GFCCVEGCSA-N 1 0 219.288 0.502 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC[C@H]([NH2+]C)C2)C1=O ZINC000420282039 192200234 /nfs/dbraw/zinc/20/02/34/192200234.db2.gz BBUYDXVDGJSSKI-NWDGAFQWSA-N 1 0 237.347 0.457 20 30 BCEDRO C=CCOCC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617752550 356311532 /nfs/dbraw/zinc/31/15/32/356311532.db2.gz PLSACHIGOKIPNC-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000613489412 363462561 /nfs/dbraw/zinc/46/25/61/363462561.db2.gz PQXDBAMLSJXHEQ-SECBINFHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC[C@H]3C[NH2+]C[C@H]32)C1=O ZINC000420337011 192215227 /nfs/dbraw/zinc/21/52/27/192215227.db2.gz JGKNEFDNLQGIKA-YNEHKIRRSA-N 1 0 249.358 0.457 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[NH2+]C[C@](C)(F)C1 ZINC000420345172 192216516 /nfs/dbraw/zinc/21/65/16/192216516.db2.gz ZFCWHXSAXZYZAX-JQWIXIFHSA-N 1 0 243.326 0.311 20 30 BCEDRO C[C@@H]1CC[C@@H](C)[NH+]1CC(=O)N(C)CC#N ZINC000336430325 356368752 /nfs/dbraw/zinc/36/87/52/356368752.db2.gz PNXYGUOHSRJNAP-NXEZZACHSA-N 1 0 209.293 0.841 20 30 BCEDRO C=CCN1CC[C@H](N2CC[NH2+][C@H](C)[C@@H]2C)C1=O ZINC000420310577 192210119 /nfs/dbraw/zinc/21/01/19/192210119.db2.gz MJMDWFAWWIPCQW-WOPDTQHZSA-N 1 0 237.347 0.456 20 30 BCEDRO C#C[C@@H](NC(=O)[C@@H]1CC[N@H+](C)C1)C(C)C ZINC000395709189 356380764 /nfs/dbraw/zinc/38/07/64/356380764.db2.gz BLCQEUIDUNKWIY-GHMZBOCLSA-N 1 0 208.305 0.712 20 30 BCEDRO C#C[C@@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC000395709197 356380813 /nfs/dbraw/zinc/38/08/13/356380813.db2.gz BLCQEUIDUNKWIY-WDEREUQCSA-N 1 0 208.305 0.712 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1[C@H](C)CC[NH2+][C@@H]1C ZINC000420365171 192224226 /nfs/dbraw/zinc/22/42/26/192224226.db2.gz KWOAFWRYGBCFGF-CKYFFXLPSA-N 1 0 225.336 0.265 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](CC[NH3+])C(F)F ZINC000420458225 192243502 /nfs/dbraw/zinc/24/35/02/192243502.db2.gz ITJDZUALDNVIFC-SSDOTTSWSA-N 1 0 242.291 0.464 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H]1CCC[C@H]([NH3+])C1 ZINC000420462913 192244012 /nfs/dbraw/zinc/24/40/12/192244012.db2.gz IJYVJVFMCDZSSG-QWRGUYRKSA-N 1 0 246.376 0.999 20 30 BCEDRO CC[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@H](C)O ZINC000352220086 134108684 /nfs/dbraw/zinc/10/86/84/134108684.db2.gz GZRDEDMUFVFQDK-JTQLQIEISA-N 1 0 239.319 0.252 20 30 BCEDRO CC[NH+](CC)CCS(=O)(=O)N[C@H](C)CC#N ZINC000352256079 134118816 /nfs/dbraw/zinc/11/88/16/134118816.db2.gz JAIXVWVPAIWAQE-SNVBAGLBSA-N 1 0 247.364 0.550 20 30 BCEDRO CNC(=O)C(C)(C)C[NH2+]C[C@@H](C#N)CCC#N ZINC000578112877 366267987 /nfs/dbraw/zinc/26/79/87/366267987.db2.gz SXKXRFJJJDYBFV-SNVBAGLBSA-N 1 0 236.319 0.792 20 30 BCEDRO C[C@H]1C[C@@]1(C#N)C(=O)N1CC([NH+](C)C)C1 ZINC000336203257 134131154 /nfs/dbraw/zinc/13/11/54/134131154.db2.gz PMKPHZNYOSYISR-KWQFWETISA-N 1 0 207.277 0.309 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](O)C(C)C)CC1 ZINC000352269541 134129216 /nfs/dbraw/zinc/12/92/16/134129216.db2.gz RAVLVOGBFOTPHJ-LBPRGKRZSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CC(C)(C)C(=O)N1CCO[C@H](C[NH+](C)C)C1 ZINC000449879135 202048749 /nfs/dbraw/zinc/04/87/49/202048749.db2.gz FEOSJHXEVNGRMP-LLVKDONJSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000578132129 366294122 /nfs/dbraw/zinc/29/41/22/366294122.db2.gz PANRKMXUFSENGW-VHSXEESVSA-N 1 0 235.349 0.194 20 30 BCEDRO C=CC(C)(C)C(=O)N1CCO[C@@H](C[NH+](C)C)C1 ZINC000449879136 202048464 /nfs/dbraw/zinc/04/84/64/202048464.db2.gz FEOSJHXEVNGRMP-NSHDSACASA-N 1 0 240.347 0.988 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)C1CC[NH+](C)CC1 ZINC000259826936 535319801 /nfs/dbraw/zinc/31/98/01/535319801.db2.gz DPVNBOGJWCLHGQ-NSHDSACASA-N 1 0 223.320 0.993 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000613578827 363521141 /nfs/dbraw/zinc/52/11/41/363521141.db2.gz DUNGSENNPJUZBT-GHMZBOCLSA-N 1 0 226.320 0.522 20 30 BCEDRO CN(C)C(=O)C[N@H+](C)[C@H]1CC[C@H](C#N)C1 ZINC000336327861 134143574 /nfs/dbraw/zinc/14/35/74/134143574.db2.gz YMAXLZNYRVMUKN-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000423012888 192539015 /nfs/dbraw/zinc/53/90/15/192539015.db2.gz DZBPRXPPHFRIML-AGIUHOORSA-N 1 0 242.363 0.528 20 30 BCEDRO C=C(C)CC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000639721148 356618854 /nfs/dbraw/zinc/61/88/54/356618854.db2.gz KQURSHFVPBVFNQ-UHFFFAOYSA-N 1 0 235.335 0.889 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000613579830 363522937 /nfs/dbraw/zinc/52/29/37/363522937.db2.gz WJSHVWHBAUTUDW-AAEUAGOBSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C(C)C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000336439059 134147318 /nfs/dbraw/zinc/14/73/18/134147318.db2.gz HKLPYJOLALNXMB-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO CNC(=O)CC[N@H+](C)Cc1ccc(C#N)cn1 ZINC000582234587 356638079 /nfs/dbraw/zinc/63/80/79/356638079.db2.gz OWKDXNXBNBMCLT-UHFFFAOYSA-N 1 0 232.287 0.521 20 30 BCEDRO CCOC[C@H](O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352458086 134146114 /nfs/dbraw/zinc/14/61/14/134146114.db2.gz GMXOAOSKARAQAO-SNVBAGLBSA-N 1 0 230.283 0.711 20 30 BCEDRO N#Cc1cccnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000088287387 356655539 /nfs/dbraw/zinc/65/55/39/356655539.db2.gz MKBMHRBJNXATAL-PHIMTYICSA-N 1 0 214.272 0.609 20 30 BCEDRO COC[C@@H](O)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000582236832 356656260 /nfs/dbraw/zinc/65/62/60/356656260.db2.gz OMZYAULHQDKPHD-DCAQKATOSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]1C(C)(C)O ZINC000305155733 134160436 /nfs/dbraw/zinc/16/04/36/134160436.db2.gz CGGYWRHEJSQWKZ-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO COC(=O)[C@H](O)C1CC[NH+](CCCC#N)CC1 ZINC000305182969 134160489 /nfs/dbraw/zinc/16/04/89/134160489.db2.gz BUVVHGAKODOPPI-LLVKDONJSA-N 1 0 240.303 0.536 20 30 BCEDRO C=C1CC[NH+](C[C@@H](O)COCCOC)CC1 ZINC000450393133 202151401 /nfs/dbraw/zinc/15/14/01/202151401.db2.gz OFIABZHOVFFSDO-GFCCVEGCSA-N 1 0 229.320 0.662 20 30 BCEDRO N#CCCCC[N@@H+]1C[C@H]2[C@@H](CCS2(=O)=O)C1 ZINC000353119674 134161811 /nfs/dbraw/zinc/16/18/11/134161811.db2.gz OQTISBGCJNCHLV-QWRGUYRKSA-N 1 0 242.344 0.799 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000354204532 134167134 /nfs/dbraw/zinc/16/71/34/134167134.db2.gz FNWNKLHEQAJPOY-UWVGGRQHSA-N 1 0 239.319 0.729 20 30 BCEDRO CN(c1ccc(C#N)nc1)C1CC([NH3+])C1 ZINC000384860348 356780583 /nfs/dbraw/zinc/78/05/83/356780583.db2.gz MSULPIGSSGVXBZ-UHFFFAOYSA-N 1 0 202.261 0.879 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000355561486 134173722 /nfs/dbraw/zinc/17/37/22/134173722.db2.gz DZLMFYIFBZXRCO-MDZLAQPJSA-N 1 0 240.347 0.912 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000639818527 356799715 /nfs/dbraw/zinc/79/97/15/356799715.db2.gz RMYYLTJPUIVXSZ-ZDUSSCGKSA-N 1 0 248.330 0.955 20 30 BCEDRO C=CCNC(=O)CN1CC[NH+](C2CCC2)CC1 ZINC000355753943 134175075 /nfs/dbraw/zinc/17/50/75/134175075.db2.gz DKYMROVLIXIIMU-UHFFFAOYSA-N 1 0 237.347 0.459 20 30 BCEDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC#Cc1ccccc1 ZINC000639851090 356855229 /nfs/dbraw/zinc/85/52/29/356855229.db2.gz YZENPBZMULHEPL-CABCVRRESA-N 1 0 245.322 0.856 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H]1COc2ccccc2O1 ZINC000639865535 356966041 /nfs/dbraw/zinc/96/60/41/356966041.db2.gz QPBCZDGMYIPKST-GHMZBOCLSA-N 1 0 235.283 0.963 20 30 BCEDRO C=CCN(C)C(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000357243144 134182544 /nfs/dbraw/zinc/18/25/44/134182544.db2.gz QRKVHDLAGBWMPW-LBPRGKRZSA-N 1 0 226.320 0.647 20 30 BCEDRO C[NH+](C)[C@@]1(CNC(=O)CC#N)CCSC1 ZINC000356930369 134181047 /nfs/dbraw/zinc/18/10/47/134181047.db2.gz GXROUEVJVBRDJE-SNVBAGLBSA-N 1 0 227.333 0.454 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H]2CCOC2)CC1 ZINC000357825035 134185762 /nfs/dbraw/zinc/18/57/62/134185762.db2.gz YYENLOFVGCAOER-NSHDSACASA-N 1 0 238.331 0.790 20 30 BCEDRO C=C[C@@H](C(=O)OC)N(C)C[C@H]1CCOC1 ZINC000399687433 357011434 /nfs/dbraw/zinc/01/14/34/357011434.db2.gz RSAVXSYAKDBEOO-ZJUUUORDSA-N 1 0 213.277 0.682 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H](C)C[NH+](C)C ZINC000358492164 134188965 /nfs/dbraw/zinc/18/89/65/134188965.db2.gz GAFKFGJXXDAOAL-NSHDSACASA-N 1 0 243.351 0.781 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCCC1CC1 ZINC000582416000 357141081 /nfs/dbraw/zinc/14/10/81/357141081.db2.gz RAZXEVMTHNFDPW-CYBMUJFWSA-N 1 0 239.363 0.973 20 30 BCEDRO Cn1cc(N2CCC[C@H]([NH2+]CCC#N)C2)cn1 ZINC000583688863 357120552 /nfs/dbraw/zinc/12/05/52/357120552.db2.gz HGVNAMICZRKYTL-NSHDSACASA-N 1 0 233.319 0.892 20 30 BCEDRO CN1CC[NH2+]C[C@@H]1CNc1cc(C#N)ccn1 ZINC000394729653 357371283 /nfs/dbraw/zinc/37/12/83/357371283.db2.gz GQFZSFRBWRQROA-LLVKDONJSA-N 1 0 231.303 0.269 20 30 BCEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCCCC#N ZINC000582723202 357372562 /nfs/dbraw/zinc/37/25/62/357372562.db2.gz ATGFTYGSIAWAHZ-DTWKUNHWSA-N 1 0 212.297 0.715 20 30 BCEDRO CCC[C@H](C#N)NC(=O)[C@@H]1CN(C)CCO1 ZINC000610257916 357389064 /nfs/dbraw/zinc/38/90/64/357389064.db2.gz GYFFUBMTPIRWNJ-ZJUUUORDSA-N 1 0 225.292 0.125 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360214212 134199357 /nfs/dbraw/zinc/19/93/57/134199357.db2.gz ADMAUGNNDKZIOM-MNOVXSKESA-N 1 0 246.376 0.965 20 30 BCEDRO CCN(CCC#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000386209642 357503137 /nfs/dbraw/zinc/50/31/37/357503137.db2.gz HEICHQSJTINIDF-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO CC[N@H+](CC[C@H]1CCNC1=O)C[C@H](C)C#N ZINC000395840062 357457450 /nfs/dbraw/zinc/45/74/50/357457450.db2.gz HGYRBOQCNBNTHO-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@H]1CCC[N@@H+]1C ZINC000361079451 134203273 /nfs/dbraw/zinc/20/32/73/134203273.db2.gz IURCPFQLNVFKII-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]2CC[N@@H+](C)C[C@@H]21 ZINC000361111941 134203389 /nfs/dbraw/zinc/20/33/89/134203389.db2.gz ZIYDWKRLGMFSMY-RYUDHWBXSA-N 1 0 237.347 0.315 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000230376443 357530972 /nfs/dbraw/zinc/53/09/72/357530972.db2.gz RHVRQEPSGXBAHI-DGCLKSJQSA-N 1 0 238.331 0.361 20 30 BCEDRO C=CC[N@H+](CCOC)CCOCCO ZINC000189423506 357640703 /nfs/dbraw/zinc/64/07/03/357640703.db2.gz NSPVTXYUOARVKV-UHFFFAOYSA-N 1 0 203.282 0.130 20 30 BCEDRO Cn1cc(C[NH2+]CCC[S@](C)=O)cc1C#N ZINC000189598066 357644750 /nfs/dbraw/zinc/64/47/50/357644750.db2.gz WTXSVZXWIJNAJY-INIZCTEOSA-N 1 0 239.344 0.755 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000362414689 134211124 /nfs/dbraw/zinc/21/11/24/134211124.db2.gz XGHSXWJDPXCDDX-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C[C@@H]1C[NH2+]C[C@H]1C(=O)NCCn1cncn1 ZINC000330178314 357680708 /nfs/dbraw/zinc/68/07/08/357680708.db2.gz LLZGZEYKDKMLGC-RKDXNWHRSA-N 1 0 223.280 0.090 20 30 BCEDRO CNC(NCC1(COC)CCOCC1)=[NH+]C ZINC000368213326 134217610 /nfs/dbraw/zinc/21/76/10/134217610.db2.gz KLCYTPAQGBMFCJ-UHFFFAOYSA-N 1 0 229.324 0.224 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190907374 357732672 /nfs/dbraw/zinc/73/26/72/357732672.db2.gz LEKSHMYKOWMICT-WOPDTQHZSA-N 1 0 213.321 0.874 20 30 BCEDRO CC#CCC[N@H+](C)C1(CO)CCOCC1 ZINC000190984080 357736904 /nfs/dbraw/zinc/73/69/04/357736904.db2.gz WLMGLACRDXFPAX-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CCC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000368331032 134218047 /nfs/dbraw/zinc/21/80/47/134218047.db2.gz ZDTOZPKFZMCZFV-VIFPVBQESA-N 1 0 218.322 0.315 20 30 BCEDRO CN1CCC[N@H+](CCCSCC#N)CC1=O ZINC000191111739 357752074 /nfs/dbraw/zinc/75/20/74/357752074.db2.gz LOYIFYMCCAWEIK-UHFFFAOYSA-N 1 0 241.360 0.797 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@H](O)CSC ZINC000191142033 357753834 /nfs/dbraw/zinc/75/38/34/357753834.db2.gz DJNVTJFUYBNKIA-JTQLQIEISA-N 1 0 219.350 0.845 20 30 BCEDRO C#CCCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000367928437 134216957 /nfs/dbraw/zinc/21/69/57/134216957.db2.gz RQWBCWWPIKSYJM-CYBMUJFWSA-N 1 0 235.331 0.747 20 30 BCEDRO C#CCC[N@@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000369315999 134222468 /nfs/dbraw/zinc/22/24/68/134222468.db2.gz XZOXMLKGHOFDJA-NWDGAFQWSA-N 1 0 209.289 0.890 20 30 BCEDRO C=CCC[N@@H+]1CCN2C(=O)N(CC)C(=O)[C@H]2C1 ZINC000369468208 134222886 /nfs/dbraw/zinc/22/28/86/134222886.db2.gz NCSMDZKUHVKYOC-SNVBAGLBSA-N 1 0 237.303 0.531 20 30 BCEDRO NC(=O)[C@@H]1CCCN1CC#Cc1ccccc1 ZINC000191912827 357803962 /nfs/dbraw/zinc/80/39/62/357803962.db2.gz LFLPGVDHCYYEOO-ZDUSSCGKSA-N 1 0 228.295 0.988 20 30 BCEDRO N#CCCCS(=O)(=O)NCC[NH+]1CCCC1 ZINC000191860769 357810035 /nfs/dbraw/zinc/81/00/35/357810035.db2.gz QTEYXSANKMDXIN-UHFFFAOYSA-N 1 0 245.348 0.305 20 30 BCEDRO COC[C@H](C)OC[C@@H](O)CN(C)CCC#N ZINC000234696471 357822599 /nfs/dbraw/zinc/82/25/99/357822599.db2.gz PUULUQSJBJXBCV-QWRGUYRKSA-N 1 0 230.308 0.244 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC2(CCO2)CC1 ZINC000370008327 134224055 /nfs/dbraw/zinc/22/40/55/134224055.db2.gz MJILIHZIPKAQAN-LLVKDONJSA-N 1 0 238.331 0.932 20 30 BCEDRO CCN(CC#N)C(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000370671785 134226693 /nfs/dbraw/zinc/22/66/93/134226693.db2.gz XYPQTYNHRRFVDL-LLVKDONJSA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@@H](F)CCN1CCN(C(=O)CC#N)CC1 ZINC000584418972 357916679 /nfs/dbraw/zinc/91/66/79/357916679.db2.gz QPDUFOXSLSWCCD-SNVBAGLBSA-N 1 0 227.283 0.792 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)CCCC[NH+](C)C ZINC000610473275 357948920 /nfs/dbraw/zinc/94/89/20/357948920.db2.gz ISMUQTTTYNOCQI-SNVBAGLBSA-N 1 0 211.309 0.946 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H](S(=O)(=O)N(C)C)C1 ZINC000375660678 134240381 /nfs/dbraw/zinc/24/03/81/134240381.db2.gz POCZPRCLDSCAPG-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000639997920 358035326 /nfs/dbraw/zinc/03/53/26/358035326.db2.gz AHKSQTKMWWVREE-RWMBFGLXSA-N 1 0 243.347 0.785 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCOC1)N1CCOCC1 ZINC000170908554 134254737 /nfs/dbraw/zinc/25/47/37/134254737.db2.gz LIAMAZNJOVPXIY-JTQLQIEISA-N 1 0 227.308 0.060 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](O)CSC ZINC000584593616 358110723 /nfs/dbraw/zinc/11/07/23/358110723.db2.gz JDLZKIKCWCWNBR-UWVGGRQHSA-N 1 0 219.350 0.485 20 30 BCEDRO [NH2+]=C(NCC1CCOCC1)N1CCSCC1 ZINC000170904778 134255079 /nfs/dbraw/zinc/25/50/79/134255079.db2.gz QXPBIZONVCUAKB-UHFFFAOYSA-N 1 0 243.376 0.777 20 30 BCEDRO C=CCCCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000584820348 358196349 /nfs/dbraw/zinc/19/63/49/358196349.db2.gz QVJBCZSSTXOETP-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C=C(C)CN(C)C[C@H](C)S(C)(=O)=O ZINC000450695357 202235892 /nfs/dbraw/zinc/23/58/92/202235892.db2.gz FAOPJTZKUBZQCR-VIFPVBQESA-N 1 0 205.323 0.927 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@H](O)COCCOC ZINC000450695937 202231031 /nfs/dbraw/zinc/23/10/31/202231031.db2.gz FWLXKPFLGLCTHQ-NSHDSACASA-N 1 0 217.309 0.518 20 30 BCEDRO CCNC(=[NH2+])NC[C@H](O)c1cccc(F)c1 ZINC000264082392 535423617 /nfs/dbraw/zinc/42/36/17/535423617.db2.gz HXMOOZRVRNSPEY-JTQLQIEISA-N 1 0 225.267 0.783 20 30 BCEDRO CCNC(=[NH2+])NC[C@H](O)Cc1ccccc1 ZINC000264289312 535422989 /nfs/dbraw/zinc/42/29/89/535422989.db2.gz PMGZNJVOVPXQKX-LLVKDONJSA-N 1 0 221.304 0.514 20 30 BCEDRO CCNC(=[NH2+])NCc1cccnc1-n1ccnc1 ZINC000264093615 535424627 /nfs/dbraw/zinc/42/46/27/535424627.db2.gz LWDPDKFFPAMKQW-UHFFFAOYSA-N 1 0 244.302 0.692 20 30 BCEDRO CCNC(=[NH2+])NCc1c(CC)nn(C)c1CC ZINC000269949272 535424187 /nfs/dbraw/zinc/42/41/87/535424187.db2.gz ILOGCGKYRDZEPR-UHFFFAOYSA-N 1 0 237.351 0.969 20 30 BCEDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccc(C#N)s1 ZINC000230369775 358397519 /nfs/dbraw/zinc/39/75/19/358397519.db2.gz DWYLXNRWAQUQSC-ZCFIWIBFSA-N 1 0 245.329 0.245 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(CO)c(F)c1 ZINC000264082380 535424486 /nfs/dbraw/zinc/42/44/86/535424486.db2.gz HXDHWTACVGNDRI-UHFFFAOYSA-N 1 0 225.267 0.742 20 30 BCEDRO CC[C@@H](O)C[NH+]1CCN(CCCC#N)CC1 ZINC000174073560 134278749 /nfs/dbraw/zinc/27/87/49/134278749.db2.gz UIYNLWVWLXGMCI-GFCCVEGCSA-N 1 0 225.336 0.679 20 30 BCEDRO CC(C)[N@@H+]1CC[C@H](CNC(=O)CC#N)C1 ZINC000045136871 358418040 /nfs/dbraw/zinc/41/80/40/358418040.db2.gz JYQURWPDGKENDV-SNVBAGLBSA-N 1 0 209.293 0.747 20 30 BCEDRO CC(C)(C)[C@H]([NH2+]Cc1ccnc(C#N)c1)C(N)=O ZINC000610993578 358422721 /nfs/dbraw/zinc/42/27/21/358422721.db2.gz VEQUVWXBYXKJHL-LLVKDONJSA-N 1 0 246.314 0.943 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+]1CCCC1 ZINC000043562553 358540390 /nfs/dbraw/zinc/54/03/90/358540390.db2.gz GNGPDMVBXJGJFL-VIFPVBQESA-N 1 0 225.292 0.483 20 30 BCEDRO CC(C)(C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044752906 358552801 /nfs/dbraw/zinc/55/28/01/358552801.db2.gz UTBFJHRVCBDWFL-SECBINFHSA-N 1 0 221.304 0.889 20 30 BCEDRO C[NH+]1CCC(CNC(=O)C(C)(C)C#N)CC1 ZINC000044752890 358553146 /nfs/dbraw/zinc/55/31/46/358553146.db2.gz DSKYNOFPRWCGNE-UHFFFAOYSA-N 1 0 223.320 0.994 20 30 BCEDRO C=C[C@H](C)NC(=O)NCC[N@@H+](C)CCOC ZINC000128406065 358574992 /nfs/dbraw/zinc/57/49/92/358574992.db2.gz MCLZTQHXYCSUNB-JTQLQIEISA-N 1 0 229.324 0.438 20 30 BCEDRO C=CCCSc1nnnn1CC[NH+](C)C ZINC000128763236 358580205 /nfs/dbraw/zinc/58/02/05/358580205.db2.gz BXVYUSVGPPQYGJ-UHFFFAOYSA-N 1 0 227.337 0.903 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+]CCn1cccn1 ZINC000042541153 358525429 /nfs/dbraw/zinc/52/54/29/358525429.db2.gz UFVAYTJFFRZTNT-SNVBAGLBSA-N 1 0 222.292 0.163 20 30 BCEDRO CNC(=O)CN(C)Cc1cc(C#N)ccc1OC ZINC000130401106 358623907 /nfs/dbraw/zinc/62/39/07/358623907.db2.gz KKIDOSMNDVZFKR-UHFFFAOYSA-N 1 0 247.298 0.745 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000129602067 358589736 /nfs/dbraw/zinc/58/97/36/358589736.db2.gz DRVKLMXRYVRZCX-LBPRGKRZSA-N 1 0 208.305 0.274 20 30 BCEDRO C=CCCS(=O)(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000131309409 358671088 /nfs/dbraw/zinc/67/10/88/358671088.db2.gz XXFARFJRQTZFNA-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@H](CCO)C(C)C ZINC000308495924 491136603 /nfs/dbraw/zinc/13/66/03/491136603.db2.gz DENDQFCBFSTEHI-GHMZBOCLSA-N 1 0 201.310 0.920 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NCC[N@H+](C)CCOC ZINC000136241649 358869125 /nfs/dbraw/zinc/86/91/25/358869125.db2.gz STCGGUMSNVVXOZ-LBPRGKRZSA-N 1 0 241.335 0.621 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NC[C@@H]1CN(C)CCO1 ZINC000136271761 358870360 /nfs/dbraw/zinc/87/03/60/358870360.db2.gz ORSQMIWOCGUQGD-ZYHUDNBSSA-N 1 0 239.319 0.373 20 30 BCEDRO COCCCC[NH+]1CCN(CCC#N)CC1 ZINC000611175987 358935117 /nfs/dbraw/zinc/93/51/17/358935117.db2.gz RDFYZWGBWAQNND-UHFFFAOYSA-N 1 0 225.336 0.944 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C)CC(=O)N(C)C ZINC000308851188 491138990 /nfs/dbraw/zinc/13/89/90/491138990.db2.gz OLNUCQHNDAVRRU-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO COCC#CC[N@H+](C[C@H](C)C(=O)OC)C1CC1 ZINC000611194758 359118981 /nfs/dbraw/zinc/11/89/81/359118981.db2.gz KNVWPUIICRQFOY-NSHDSACASA-N 1 0 239.315 0.910 20 30 BCEDRO C[C@@H](CO)C[NH+]1CCN(CCC#N)CC1 ZINC000611236023 359189906 /nfs/dbraw/zinc/18/99/06/359189906.db2.gz BBZRCEWJZKKQDQ-LLVKDONJSA-N 1 0 211.309 0.146 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000611237430 359204806 /nfs/dbraw/zinc/20/48/06/359204806.db2.gz KECJAULFBPEMGF-NXEZZACHSA-N 1 0 213.277 0.418 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000247434501 359220155 /nfs/dbraw/zinc/22/01/55/359220155.db2.gz NXJIMESHNGYHGF-QWHCGFSZSA-N 1 0 243.347 0.787 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NCC#N)c1cccc(C#N)c1 ZINC000611388382 359358030 /nfs/dbraw/zinc/35/80/30/359358030.db2.gz HCWDLQXILXQEMZ-JTQLQIEISA-N 1 0 242.282 0.849 20 30 BCEDRO C=CCCCCC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000285033089 359320508 /nfs/dbraw/zinc/32/05/08/359320508.db2.gz NEGMEIICJMCZLG-GFCCVEGCSA-N 1 0 226.320 0.655 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C#N)nn3)[C@@H]2C1 ZINC000611510312 359380548 /nfs/dbraw/zinc/38/05/48/359380548.db2.gz WNYZLSOLMYANOU-ZYHUDNBSSA-N 1 0 243.314 0.879 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000611731998 359436824 /nfs/dbraw/zinc/43/68/24/359436824.db2.gz HUHIAIJMCXVUPK-MDZLAQPJSA-N 1 0 238.331 0.619 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)C2=CCC2)CC1 ZINC000611544260 359394588 /nfs/dbraw/zinc/39/45/88/359394588.db2.gz YSARLVLWFKYCKH-UHFFFAOYSA-N 1 0 219.288 0.811 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000611623435 359401872 /nfs/dbraw/zinc/40/18/72/359401872.db2.gz AKPXMNWGFPRMLW-ZJUUUORDSA-N 1 0 224.308 0.539 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@@H+](CC)CCC ZINC000611802881 359451093 /nfs/dbraw/zinc/45/10/93/359451093.db2.gz PYXJKNBLGWUVJE-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO COCC#CC[NH2+][C@H](CO)C1CCCC1 ZINC000308970606 491141300 /nfs/dbraw/zinc/14/13/00/491141300.db2.gz ZDWGZXHYQUSZES-GFCCVEGCSA-N 1 0 211.305 0.777 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000628489161 359615214 /nfs/dbraw/zinc/61/52/14/359615214.db2.gz QJMBZDCHPBMAEW-RYUDHWBXSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCCCC(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000424048372 192856168 /nfs/dbraw/zinc/85/61/68/192856168.db2.gz ZLRYPIGFELZGMG-WDEREUQCSA-N 1 0 224.304 0.542 20 30 BCEDRO C=CCC1(C(=O)NCC[NH2+]C)CCOCC1 ZINC000424074006 192859745 /nfs/dbraw/zinc/85/97/45/192859745.db2.gz GKMJHOMZTOTWJC-UHFFFAOYSA-N 1 0 226.320 0.695 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](C)Cn1cccn1 ZINC000309021344 491142744 /nfs/dbraw/zinc/14/27/44/491142744.db2.gz XEHCIMIPJVNZOO-WDEREUQCSA-N 1 0 209.293 0.798 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](C)S(C)(=O)=O ZINC000450823338 202276648 /nfs/dbraw/zinc/27/66/48/202276648.db2.gz VBUHOQBARNZELI-VIFPVBQESA-N 1 0 205.323 0.927 20 30 BCEDRO COc1ccc(C#N)cc1C[N@H+](C)CCO ZINC000130411155 359806010 /nfs/dbraw/zinc/80/60/10/359806010.db2.gz RXXRZLVSKZKRDO-UHFFFAOYSA-N 1 0 220.272 0.991 20 30 BCEDRO C[C@H](C#N)CNC(=O)CC1CC[NH+](C)CC1 ZINC000612427379 359848873 /nfs/dbraw/zinc/84/88/73/359848873.db2.gz HGHHHBBBNQPOEK-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO N#CCCN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000085858885 359860404 /nfs/dbraw/zinc/86/04/04/359860404.db2.gz SLBHFTMZNYMKOR-QWHCGFSZSA-N 1 0 237.347 0.821 20 30 BCEDRO CC[C@H](CO)[N@H+](C)CC(=O)N(CC)CCC#N ZINC000451151916 202365379 /nfs/dbraw/zinc/36/53/79/202365379.db2.gz AKAOEAHBPPCWLJ-LLVKDONJSA-N 1 0 241.335 0.451 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CC[C@@H](F)C1 ZINC000451185353 202372814 /nfs/dbraw/zinc/37/28/14/202372814.db2.gz LOCCXEYSJTWEAZ-RKDXNWHRSA-N 1 0 243.282 0.431 20 30 BCEDRO C[C@@](CO)([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000169251886 359909182 /nfs/dbraw/zinc/90/91/82/359909182.db2.gz SZAFOVLLKBHFKI-ZDUSSCGKSA-N 1 0 247.298 0.123 20 30 BCEDRO CC#CC[N@@H+]1C[C@H](O)C[C@@H]1[C@H]1CCCOC1 ZINC000451300902 202399204 /nfs/dbraw/zinc/39/92/04/202399204.db2.gz MTZKTUMITTWLHZ-YNEHKIRRSA-N 1 0 223.316 0.872 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@]1(CC)CCOC1 ZINC000309192050 491146141 /nfs/dbraw/zinc/14/61/41/491146141.db2.gz PWMCABYIYKGMJN-LLVKDONJSA-N 1 0 212.293 0.447 20 30 BCEDRO CCOC[C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000578860794 366659469 /nfs/dbraw/zinc/65/94/69/366659469.db2.gz LRYXVRKUMNXRCV-RYUDHWBXSA-N 1 0 243.351 0.207 20 30 BCEDRO COc1ccc([C@@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000090340343 360070309 /nfs/dbraw/zinc/07/03/09/360070309.db2.gz DJCZYQDXQBWHTF-SNVBAGLBSA-N 1 0 247.298 0.986 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000612795476 360074266 /nfs/dbraw/zinc/07/42/66/360074266.db2.gz CQAJBCDGTRYSDD-HTAVTVPLSA-N 1 0 240.347 0.770 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092631503 360186635 /nfs/dbraw/zinc/18/66/35/360186635.db2.gz BLNNBIBUHFCIJW-ZJUUUORDSA-N 1 0 245.348 0.254 20 30 BCEDRO C=C(C)C[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000309402355 491148693 /nfs/dbraw/zinc/14/86/93/491148693.db2.gz WNZZCRSFAGHMEH-UHFFFAOYSA-N 1 0 240.328 1.000 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000309409064 491148770 /nfs/dbraw/zinc/14/87/70/491148770.db2.gz BKWLVVWSHHLWPG-AXFHLTTASA-N 1 0 226.320 0.428 20 30 BCEDRO CC1(OCC(=O)Nc2cccc(C#N)c2)C[NH2+]C1 ZINC000161093413 360525187 /nfs/dbraw/zinc/52/51/87/360525187.db2.gz QIYKUAKZCYNOOS-UHFFFAOYSA-N 1 0 245.282 0.875 20 30 BCEDRO CNC(=O)[C@H]1CCC[C@@H]1[NH2+]CC#CCOC ZINC000309572246 491151967 /nfs/dbraw/zinc/15/19/67/491151967.db2.gz NYEAJYLCGONDDH-QWRGUYRKSA-N 1 0 224.304 0.141 20 30 BCEDRO C=CCC1(C(=O)N[C@H](C)C[NH3+])CCOCC1 ZINC000424152226 200868480 /nfs/dbraw/zinc/86/84/80/200868480.db2.gz JDCMSCUGDOMBIY-SNVBAGLBSA-N 1 0 226.320 0.823 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C)C[NH3+] ZINC000424158177 200870063 /nfs/dbraw/zinc/87/00/63/200870063.db2.gz SIPOEZYGTYRHDG-MXWKQRLJSA-N 1 0 226.320 0.679 20 30 BCEDRO CO[C@@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424172000 200873541 /nfs/dbraw/zinc/87/35/41/200873541.db2.gz MRARYFRHMSJPSW-MXWKQRLJSA-N 1 0 239.319 0.691 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@@H](C)[NH3+] ZINC000424080263 200857577 /nfs/dbraw/zinc/85/75/77/200857577.db2.gz SKPAHQONGSJLDV-MXWKQRLJSA-N 1 0 226.320 0.821 20 30 BCEDRO C[C@H]([NH3+])CCC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424214491 200891127 /nfs/dbraw/zinc/89/11/27/200891127.db2.gz CQPOAPMUGDZKPR-LPEHRKFASA-N 1 0 209.293 0.922 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C1CC(CC(=O)OC)C1 ZINC000424279501 200897128 /nfs/dbraw/zinc/89/71/28/200897128.db2.gz KFFJTUZWZGRNHJ-YVNMAJEFSA-N 1 0 227.304 0.855 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CC[NH3+] ZINC000424467922 200928656 /nfs/dbraw/zinc/92/86/56/200928656.db2.gz NIDJTYSLKPARTG-UWVGGRQHSA-N 1 0 227.308 0.178 20 30 BCEDRO CC#CCC[NH+]1CCC(OCCO)CC1 ZINC000158882515 361214132 /nfs/dbraw/zinc/21/41/32/361214132.db2.gz LNFSZIIXSYNIEJ-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO N#CCC1(CN2CCOC[C@H]2CO)CC1 ZINC000159085703 361220852 /nfs/dbraw/zinc/22/08/52/361220852.db2.gz UFUANWOAUSFSIV-SNVBAGLBSA-N 1 0 210.277 0.373 20 30 BCEDRO C[C@H](C#N)CN(C)CCC(=O)N1CCOCC1 ZINC000066471049 361291363 /nfs/dbraw/zinc/29/13/63/361291363.db2.gz SCLVACMELXOYNY-LLVKDONJSA-N 1 0 239.319 0.327 20 30 BCEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000249147601 361296954 /nfs/dbraw/zinc/29/69/54/361296954.db2.gz VAYPEVPQGRLZKL-UONOGXRCSA-N 1 0 246.310 0.794 20 30 BCEDRO C=CCN(C)C(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000428285621 201006476 /nfs/dbraw/zinc/00/64/76/201006476.db2.gz OGYXXWZDIMHAAY-LLVKDONJSA-N 1 0 226.320 0.599 20 30 BCEDRO C[C@H](F)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000579103482 366710781 /nfs/dbraw/zinc/71/07/81/366710781.db2.gz NEXSLGWZLPMBEU-WDEREUQCSA-N 1 0 231.315 0.530 20 30 BCEDRO C=C[C@@H](C)[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000162308781 361344053 /nfs/dbraw/zinc/34/40/53/361344053.db2.gz RQCJHXPVGKIYAO-BDAKNGLRSA-N 1 0 205.323 0.974 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]CC1(OC)CCOCC1 ZINC000428851490 201045111 /nfs/dbraw/zinc/04/51/11/201045111.db2.gz RJRHEWXRIRQJJZ-LBPRGKRZSA-N 1 0 243.347 0.956 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]CC1(OC)CCOCC1 ZINC000428851489 201045226 /nfs/dbraw/zinc/04/52/26/201045226.db2.gz RJRHEWXRIRQJJZ-GFCCVEGCSA-N 1 0 243.347 0.956 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000614283162 363769578 /nfs/dbraw/zinc/76/95/78/363769578.db2.gz YFYTVHKFHMYTJU-HTAVTVPLSA-N 1 0 238.331 0.666 20 30 BCEDRO C[C@H](CO)[N@H+](C)CCCSCC#N ZINC000163163993 361387680 /nfs/dbraw/zinc/38/76/80/361387680.db2.gz IGZPHMSTFKNTDD-SECBINFHSA-N 1 0 202.323 0.946 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCC(N)=O)c(F)c1 ZINC000036747343 361391906 /nfs/dbraw/zinc/39/19/06/361391906.db2.gz GXDHOFFKWBQGOF-UHFFFAOYSA-N 1 0 221.235 0.662 20 30 BCEDRO C[C@@H]1CC[C@H]([N@H+](C)CC(=O)NCC#N)C1 ZINC000429574705 201116722 /nfs/dbraw/zinc/11/67/22/201116722.db2.gz AZCJNXVXNLTKQX-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@@H]1CCN(C)C1=O ZINC000429711935 201129962 /nfs/dbraw/zinc/12/99/62/201129962.db2.gz AHOZATPJBHIYPD-GFCCVEGCSA-N 1 0 239.363 0.657 20 30 BCEDRO C[NH2+]CCC(=O)NCc1ccc(CC#N)cc1 ZINC000579476141 366823930 /nfs/dbraw/zinc/82/39/30/366823930.db2.gz UVQLUOPWONSZLZ-UHFFFAOYSA-N 1 0 231.299 0.978 20 30 BCEDRO C=CC[C@H]1CC[N@H+](C[C@H]2CNCCO2)C1 ZINC000629551835 361443853 /nfs/dbraw/zinc/44/38/53/361443853.db2.gz XIDVJPXNCDCKJY-NWDGAFQWSA-N 1 0 210.321 0.873 20 30 BCEDRO CCC[N@H+](C)CC(=O)N[C@@](C)(C#N)COC ZINC000433967395 201200508 /nfs/dbraw/zinc/20/05/08/201200508.db2.gz ZCILDUTYYONDJG-NSHDSACASA-N 1 0 227.308 0.373 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434456837 201219055 /nfs/dbraw/zinc/21/90/55/201219055.db2.gz PBGRJWRWVJRMKT-WDEREUQCSA-N 1 0 239.319 0.109 20 30 BCEDRO COCC#CC[NH2+][C@@H](COC)[C@H]1CCCO1 ZINC000309986782 491159413 /nfs/dbraw/zinc/15/94/13/491159413.db2.gz YRRILDRPOZMVOE-NWDGAFQWSA-N 1 0 227.304 0.420 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000435438374 201271019 /nfs/dbraw/zinc/27/10/19/201271019.db2.gz PGKXJKFXYNGICR-WDEREUQCSA-N 1 0 246.376 0.965 20 30 BCEDRO C[C@H]1C[C@@]1(C#N)C(=O)NCC(C)(C)[NH+](C)C ZINC000448581118 201340957 /nfs/dbraw/zinc/34/09/57/201340957.db2.gz IRZOMDNVJPWPBZ-CABZTGNLSA-N 1 0 223.320 0.993 20 30 BCEDRO CC#CCC[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000155990858 201378263 /nfs/dbraw/zinc/37/82/63/201378263.db2.gz DLIKEQPPOXIFQH-ZDUSSCGKSA-N 1 0 240.347 0.025 20 30 BCEDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000329188676 363899184 /nfs/dbraw/zinc/89/91/84/363899184.db2.gz PKGNVTHKUZKQQO-UKKRHICBSA-N 1 0 242.344 0.701 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000614794898 363973386 /nfs/dbraw/zinc/97/33/86/363973386.db2.gz LZEJIXZWTIJQAC-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000614794897 363973646 /nfs/dbraw/zinc/97/36/46/363973646.db2.gz LZEJIXZWTIJQAC-AAEUAGOBSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614959304 364231559 /nfs/dbraw/zinc/23/15/59/364231559.db2.gz PYXOZRGDIZWXIN-LLVKDONJSA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCn1cc(CC[NH2+]CCOC)nn1 ZINC000630588994 364296849 /nfs/dbraw/zinc/29/68/49/364296849.db2.gz SWCNDNBXEHJHFK-UHFFFAOYSA-N 1 0 210.281 0.243 20 30 BCEDRO C=CCn1cc(C[C@H]([NH3+])CCOC)nn1 ZINC000630588881 364297205 /nfs/dbraw/zinc/29/72/05/364297205.db2.gz QNNIRFXOWCFLMR-SECBINFHSA-N 1 0 210.281 0.370 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000134402409 364403226 /nfs/dbraw/zinc/40/32/26/364403226.db2.gz XKIVAUOKSGFUMN-NXEZZACHSA-N 1 0 212.293 0.303 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000615041241 364409495 /nfs/dbraw/zinc/40/94/95/364409495.db2.gz MNOMCCLDDQDJQR-PWSUYJOCSA-N 1 0 228.336 0.768 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000615188688 364616938 /nfs/dbraw/zinc/61/69/38/364616938.db2.gz WRYBEXHXCMTLKJ-NHCYSSNCSA-N 1 0 224.304 0.086 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615203253 364626470 /nfs/dbraw/zinc/62/64/70/364626470.db2.gz KUOGJWYUWDLACD-JQWIXIFHSA-N 1 0 224.304 0.088 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615318904 364689993 /nfs/dbraw/zinc/68/99/93/364689993.db2.gz MNRLTTUVHICNED-SCVCMEIPSA-N 1 0 226.320 0.474 20 30 BCEDRO C=C[C@H](O)C(=O)NCCCCC[NH+]1CCCC1 ZINC000615359105 364726798 /nfs/dbraw/zinc/72/67/98/364726798.db2.gz YZZOSFVVUIFYCF-LBPRGKRZSA-N 1 0 240.347 0.916 20 30 BCEDRO C=CCn1cc(CN[C@H](C)C2C[NH2+]C2)nn1 ZINC000573316909 364797016 /nfs/dbraw/zinc/79/70/16/364797016.db2.gz NFRRBUBDLNSJID-SECBINFHSA-N 1 0 221.308 0.162 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1cnn(C)c1 ZINC000293925080 364775108 /nfs/dbraw/zinc/77/51/08/364775108.db2.gz HHYHOWDDTTZSGM-UHFFFAOYSA-N 1 0 234.303 0.105 20 30 BCEDRO CC(C)COC[C@@H](O)C[NH2+]CCC#N ZINC000573557630 364860677 /nfs/dbraw/zinc/86/06/77/364860677.db2.gz GTSLBQMPULFXOW-JTQLQIEISA-N 1 0 200.282 0.523 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000573455992 364838132 /nfs/dbraw/zinc/83/81/32/364838132.db2.gz TYNWVJOSEQJXDW-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C[NH+](C)[C@H]1CN([C@@H]2CC[C@@H](C#N)C2)C[C@@H]1O ZINC000573456196 364838978 /nfs/dbraw/zinc/83/89/78/364838978.db2.gz WQZJINHVVWGHCJ-WYUUTHIRSA-N 1 0 223.320 0.285 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H]1COC[C@H]1OC ZINC000573484711 364844255 /nfs/dbraw/zinc/84/42/55/364844255.db2.gz HHRWHSHCXBAFBN-HBNTYKKESA-N 1 0 215.293 0.317 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000418399244 219959987 /nfs/dbraw/zinc/95/99/87/219959987.db2.gz DPKYLSGZTMFREV-NXEZZACHSA-N 1 0 209.293 0.436 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000573811853 364922624 /nfs/dbraw/zinc/92/26/24/364922624.db2.gz KSEACOXNBSRJID-WDEREUQCSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCCCCCNC(=O)[C@@H](C[NH3+])OC ZINC000574218494 365013155 /nfs/dbraw/zinc/01/31/55/365013155.db2.gz BMTCRXSAMLAROS-SNVBAGLBSA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCCCCCNC(=O)[C@H](C[NH3+])OC ZINC000574218485 365013462 /nfs/dbraw/zinc/01/34/62/365013462.db2.gz BMTCRXSAMLAROS-JTQLQIEISA-N 1 0 214.309 0.823 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCC1CC1 ZINC000574369154 365045328 /nfs/dbraw/zinc/04/53/28/365045328.db2.gz FFORZOQYTRBICG-MNOVXSKESA-N 1 0 224.304 0.446 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCCC#N ZINC000330363374 365086897 /nfs/dbraw/zinc/08/68/97/365086897.db2.gz AIXSCTTZEYWSKL-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3ccnc(C#N)n3)[C@@H]2C1 ZINC000575372867 365303800 /nfs/dbraw/zinc/30/38/00/365303800.db2.gz ZSBRKLIYSKWVNF-GHMZBOCLSA-N 1 0 243.314 0.879 20 30 BCEDRO CN(Cc1ccc(C#N)cn1)[C@@H]1COC[C@H]1O ZINC000575759974 365356716 /nfs/dbraw/zinc/35/67/16/365356716.db2.gz YUZBBFWDKIAACK-VXGBXAGGSA-N 1 0 233.271 0.145 20 30 BCEDRO COCCC[N@H+](C)CCOCCC#N ZINC000338930971 365442241 /nfs/dbraw/zinc/44/22/41/365442241.db2.gz FNYLJZCWFXMTPT-UHFFFAOYSA-N 1 0 200.282 0.885 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)NC[C@H](C)C#N ZINC000182631682 366924819 /nfs/dbraw/zinc/92/48/19/366924819.db2.gz BIAJZRAITLFZDN-SNVBAGLBSA-N 1 0 226.324 0.785 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC1CC[NH+](C)CC1 ZINC000182645660 366926312 /nfs/dbraw/zinc/92/63/12/366926312.db2.gz LYOLTQWLIMCACL-JTQLQIEISA-N 1 0 238.335 0.787 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000182652298 366927936 /nfs/dbraw/zinc/92/79/36/366927936.db2.gz KIKLVYGNGFNZFG-WDEREUQCSA-N 1 0 238.335 0.787 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182841412 366950431 /nfs/dbraw/zinc/95/04/31/366950431.db2.gz ASLHXZMVZCRYNN-WDEREUQCSA-N 1 0 236.319 0.636 20 30 BCEDRO C[C@@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C(=O)N(C)C ZINC000380246768 366991963 /nfs/dbraw/zinc/99/19/63/366991963.db2.gz OJOJHERJKMLMDX-OPRDCNLKSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H](Cc1c[nH]cn1)C(=O)NC[C@H](C)C#N ZINC000579728944 366995546 /nfs/dbraw/zinc/99/55/46/366995546.db2.gz IRLIVEYDLPPOPZ-RKDXNWHRSA-N 1 0 220.276 0.864 20 30 BCEDRO C[C@@H](C(=O)NCCCC#N)[NH+]1CC(C)C1 ZINC000579857701 367054922 /nfs/dbraw/zinc/05/49/22/367054922.db2.gz FJOUALVOYSNASF-JTQLQIEISA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H](C#N)CNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000185641909 367139613 /nfs/dbraw/zinc/13/96/13/367139613.db2.gz BEFBALTWMBAGBH-SNVBAGLBSA-N 1 0 238.335 0.882 20 30 BCEDRO CCCCCCC[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000367567507 367085502 /nfs/dbraw/zinc/08/55/02/367085502.db2.gz WMZSCVYQXJESAA-GFCCVEGCSA-N 1 0 228.336 0.879 20 30 BCEDRO CC#CC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000368497848 367097289 /nfs/dbraw/zinc/09/72/89/367097289.db2.gz BWIKBKRWIFHVAB-ZYHUDNBSSA-N 1 0 206.289 0.657 20 30 BCEDRO CC(=O)N1CC([NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000580903530 367203695 /nfs/dbraw/zinc/20/36/95/367203695.db2.gz VNXJQNNUZZSASD-UHFFFAOYSA-N 1 0 232.287 0.217 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)COCCOC ZINC000581140448 367276216 /nfs/dbraw/zinc/27/62/16/367276216.db2.gz MOVCDVOKEPHGND-QWRGUYRKSA-N 1 0 230.308 0.292 20 30 BCEDRO CC(=O)N1CC([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000581083522 367260732 /nfs/dbraw/zinc/26/07/32/367260732.db2.gz YSZCXNSWKVXNGW-NXEZZACHSA-N 1 0 207.277 0.499 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)CCOCC ZINC000581191129 367289956 /nfs/dbraw/zinc/28/99/56/367289956.db2.gz MBGJXWMTSUBKIN-MNOVXSKESA-N 1 0 217.309 0.301 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N[C@]2(C#N)CCOC2)C1 ZINC000581201334 367293262 /nfs/dbraw/zinc/29/32/62/367293262.db2.gz VKGJCULBCDAWGH-JQWIXIFHSA-N 1 0 237.303 0.127 20 30 BCEDRO CC#CCCNC(=O)NCCC[NH2+]CC ZINC000581299883 367326333 /nfs/dbraw/zinc/32/63/33/367326333.db2.gz ONINXMCOPAMANO-UHFFFAOYSA-N 1 0 211.309 0.699 20 30 BCEDRO C[C@@H](C#N)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000565372625 325902937 /nfs/dbraw/zinc/90/29/37/325902937.db2.gz MDIOZFHHKITWHE-VIFPVBQESA-N 1 0 235.291 0.087 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000382183627 367495399 /nfs/dbraw/zinc/49/53/99/367495399.db2.gz BGNLFAYPQYUJRS-GMTAPVOTSA-N 1 0 226.320 0.834 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](O)COCCOC ZINC000386703179 368010974 /nfs/dbraw/zinc/01/09/74/368010974.db2.gz NKRSETVVDPLYQR-NSHDSACASA-N 1 0 217.309 0.566 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](F)(C#N)C1 ZINC000615593863 368125926 /nfs/dbraw/zinc/12/59/26/368125926.db2.gz GFMWUMGPZGPUON-ONGXEEELSA-N 1 0 225.267 0.545 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC(C[NH+](C)C)C1 ZINC000615506905 368082622 /nfs/dbraw/zinc/08/26/22/368082622.db2.gz REHSNSWSLPISBH-NEPJUHHUSA-N 1 0 238.331 0.598 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615512327 368084563 /nfs/dbraw/zinc/08/45/63/368084563.db2.gz FUOQJZKWLWIKIA-NSHDSACASA-N 1 0 240.347 0.988 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@@](F)(C#N)C2)C1 ZINC000615823645 368456944 /nfs/dbraw/zinc/45/69/44/368456944.db2.gz SPPKVVCUPMBDAW-MWLCHTKSSA-N 1 0 225.267 0.402 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CC[C@](F)(C#N)C1 ZINC000615825561 368464842 /nfs/dbraw/zinc/46/48/42/368464842.db2.gz MENUGASNZYQCAP-NSHDSACASA-N 1 0 227.283 0.792 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000615849547 368531156 /nfs/dbraw/zinc/53/11/56/368531156.db2.gz KHGHPLZQTWZGSH-JFGNBEQYSA-N 1 0 224.304 0.086 20 30 BCEDRO C=CC[NH+]1CCC(C(=O)N2CCOCC2)CC1 ZINC000061761622 368569853 /nfs/dbraw/zinc/56/98/53/368569853.db2.gz PEZGEURNLPPWJE-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCNC(=O)NC(C)C ZINC000567163746 326126628 /nfs/dbraw/zinc/12/66/28/326126628.db2.gz YTQBJGINWSLIFQ-MNOVXSKESA-N 1 0 241.335 0.627 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)CCOC)CC1 ZINC000068713513 368733484 /nfs/dbraw/zinc/73/34/84/368733484.db2.gz ZJRKGENAWDHTKN-UHFFFAOYSA-N 1 0 238.331 0.436 20 30 BCEDRO C=CCNC(=O)N[C@H]1CCC[N@@H+](CCCO)C1 ZINC000457397350 203055495 /nfs/dbraw/zinc/05/54/95/203055495.db2.gz CKVYISXWJXFUTO-NSHDSACASA-N 1 0 241.335 0.318 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N2CCOC[C@@H]2C#N)C1 ZINC000259867890 370949516 /nfs/dbraw/zinc/94/95/16/370949516.db2.gz JEJMSXHYFQTELD-MNOVXSKESA-N 1 0 237.303 0.079 20 30 BCEDRO C#CCNC(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000069721052 368758259 /nfs/dbraw/zinc/75/82/59/368758259.db2.gz KNJOWDDOEIJHFJ-UHFFFAOYSA-N 1 0 223.320 0.745 20 30 BCEDRO C=CCNC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000457414713 203058999 /nfs/dbraw/zinc/05/89/99/203058999.db2.gz RLNAAIWFHXOQFZ-PHIMTYICSA-N 1 0 241.335 0.269 20 30 BCEDRO CC[C@@H](C)C(=O)N[C@](C)(C#N)CN(C)C ZINC000567324341 326160984 /nfs/dbraw/zinc/16/09/84/326160984.db2.gz LKGHHLPNVBTMJA-MWLCHTKSSA-N 1 0 211.309 0.993 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000615984363 368854996 /nfs/dbraw/zinc/85/49/96/368854996.db2.gz FCEDAZYDECVKDP-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000616155038 368987434 /nfs/dbraw/zinc/98/74/34/368987434.db2.gz IAQHERRCJOLDGV-QWRGUYRKSA-N 1 0 226.320 0.474 20 30 BCEDRO COCC[NH2+]CC(=O)Nc1cccc(C#N)c1 ZINC000105674689 369061363 /nfs/dbraw/zinc/06/13/63/369061363.db2.gz RIRCHLZVYDECOD-UHFFFAOYSA-N 1 0 233.271 0.733 20 30 BCEDRO C=C[C@H](O)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000617923832 369050593 /nfs/dbraw/zinc/05/05/93/369050593.db2.gz JJXWGYIBQFTHEM-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO CC(C)N1CC(NC(=O)CCCC#N)C1 ZINC000457724339 203090763 /nfs/dbraw/zinc/09/07/63/203090763.db2.gz HNGNEIDHUYDSRU-UHFFFAOYSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000618523355 369166260 /nfs/dbraw/zinc/16/62/60/369166260.db2.gz FJMLOBYANOAGFI-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO CC#CCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000458649237 203185969 /nfs/dbraw/zinc/18/59/69/203185969.db2.gz HISNTBDYSAJZPR-JTQLQIEISA-N 1 0 211.309 0.649 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000458750978 203195188 /nfs/dbraw/zinc/19/51/88/203195188.db2.gz GGLMISWUVPCWRL-QWRGUYRKSA-N 1 0 243.351 0.563 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[NH+](C)C ZINC000459024734 203224641 /nfs/dbraw/zinc/22/46/41/203224641.db2.gz KWRLVKXTTVEYCJ-ZJUUUORDSA-N 1 0 227.308 0.191 20 30 BCEDRO C=C(CC)CNC(=O)NCC[NH+]1CCC1 ZINC000459081449 203231795 /nfs/dbraw/zinc/23/17/95/203231795.db2.gz RDAQNWUQZGJUPG-UHFFFAOYSA-N 1 0 211.309 0.958 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000567632069 326234861 /nfs/dbraw/zinc/23/48/61/326234861.db2.gz OUDZCVJAAXWSNI-QWRGUYRKSA-N 1 0 238.335 0.882 20 30 BCEDRO C[C@@H]1CN(CC[NH2+][C@@H]2CCC[C@H]2C#N)CCO1 ZINC000459489228 203291841 /nfs/dbraw/zinc/29/18/41/203291841.db2.gz XKNMMQGRCQIBKU-FRRDWIJNSA-N 1 0 237.347 0.989 20 30 BCEDRO N#Cc1cncc(NC[C@H]2CCCC[NH2+]2)n1 ZINC000401472462 369365002 /nfs/dbraw/zinc/36/50/02/369365002.db2.gz AKWPHYGMUAQMQI-SECBINFHSA-N 1 0 217.276 0.902 20 30 BCEDRO COC[C@H](O)CN1Cc2cccc(C#N)c2C1 ZINC000405068105 369443006 /nfs/dbraw/zinc/44/30/06/369443006.db2.gz ZHHIYAHJWQKSIR-GFCCVEGCSA-N 1 0 232.283 0.881 20 30 BCEDRO CCOC[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000405167055 369448393 /nfs/dbraw/zinc/44/83/93/369448393.db2.gz JNGCYSOSSZEMLY-VIFPVBQESA-N 1 0 200.282 0.523 20 30 BCEDRO C=CCC[C@H](CC)[NH2+]C[C@H](O)Cn1ccnn1 ZINC000459693944 203337240 /nfs/dbraw/zinc/33/72/40/203337240.db2.gz JNDHPZIEVQUZQW-RYUDHWBXSA-N 1 0 238.335 0.973 20 30 BCEDRO C=CCC[C@H](CC)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459693941 203337901 /nfs/dbraw/zinc/33/79/01/203337901.db2.gz JNDHPZIEVQUZQW-NWDGAFQWSA-N 1 0 238.335 0.973 20 30 BCEDRO C=CCCn1cc(CN2C[C@H]([NH3+])C[C@@H]2C)nn1 ZINC000631861960 369473203 /nfs/dbraw/zinc/47/32/03/369473203.db2.gz KCVGJPYSTNXHDA-WDEREUQCSA-N 1 0 235.335 0.776 20 30 BCEDRO C[N@H+](CC(=O)NCC#N)C1CC(C)(C)C1 ZINC000459743226 203352589 /nfs/dbraw/zinc/35/25/89/203352589.db2.gz PIUUOLBLXDYJOH-UHFFFAOYSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@H]1COC[C@H]1OC ZINC000459822102 203375333 /nfs/dbraw/zinc/37/53/33/203375333.db2.gz HHRWHSHCXBAFBN-OUAUKWLOSA-N 1 0 215.293 0.317 20 30 BCEDRO C=CCNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000631000255 369535550 /nfs/dbraw/zinc/53/55/50/369535550.db2.gz QNDPFZCZTXJVGC-JTQLQIEISA-N 1 0 211.309 0.812 20 30 BCEDRO C[C@@H]1C[C@@H](Nc2ncncc2C#N)CC[NH2+]1 ZINC000304487912 369520309 /nfs/dbraw/zinc/52/03/09/369520309.db2.gz PJWRTGPLLCSETG-SCZZXKLOSA-N 1 0 217.276 0.901 20 30 BCEDRO CN(CCC#N)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000260158129 370978837 /nfs/dbraw/zinc/97/88/37/370978837.db2.gz SYWWAIDQQUMFLE-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO COC[C@H](O)C[N@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000250413938 369525076 /nfs/dbraw/zinc/52/50/76/369525076.db2.gz OGERUGOISBODGK-MXWKQRLJSA-N 1 0 212.293 0.618 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000619718735 369549018 /nfs/dbraw/zinc/54/90/18/369549018.db2.gz YVBSKONXDAITPV-VXGBXAGGSA-N 1 0 240.347 0.988 20 30 BCEDRO CCN(CC[NH3+])Cc1ccncc1C#N ZINC000600721095 369561059 /nfs/dbraw/zinc/56/10/59/369561059.db2.gz RYZRPKJESLXGIY-UHFFFAOYSA-N 1 0 204.277 0.734 20 30 BCEDRO C[NH2+]C1(CNC(=O)c2c[nH]c(C#N)c2)CCC1 ZINC000600826530 369568147 /nfs/dbraw/zinc/56/81/47/369568147.db2.gz MXDGEBVQBHNNKI-UHFFFAOYSA-N 1 0 232.287 0.758 20 30 BCEDRO C[NH2+]C1(CNC(=O)c2cccc(C#N)n2)CCC1 ZINC000600827710 369568516 /nfs/dbraw/zinc/56/85/16/369568516.db2.gz XLFKPYZFWGCXRW-UHFFFAOYSA-N 1 0 244.298 0.825 20 30 BCEDRO CC(C)([NH3+])c1cn(-c2ncccc2C#N)nn1 ZINC000600975686 369582336 /nfs/dbraw/zinc/58/23/36/369582336.db2.gz BHHYMYLSWLGUPA-UHFFFAOYSA-N 1 0 228.259 0.728 20 30 BCEDRO N#Cc1cccnc1-n1cc(CCCC[NH3+])nn1 ZINC000600975713 369582572 /nfs/dbraw/zinc/58/25/72/369582572.db2.gz CDDHLODPQYVWHK-UHFFFAOYSA-N 1 0 242.286 0.815 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC[N@H+](C)CCOC ZINC000061380942 369670129 /nfs/dbraw/zinc/67/01/29/369670129.db2.gz VAZYFGAYWUQPEW-SNVBAGLBSA-N 1 0 227.308 0.231 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)Nc1n[nH]cc1C#N ZINC000601641025 369651138 /nfs/dbraw/zinc/65/11/38/369651138.db2.gz LQCASZCNDXGEQS-UHFFFAOYSA-N 1 0 221.264 0.560 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000567988731 326292260 /nfs/dbraw/zinc/29/22/60/326292260.db2.gz NJMUIAWNUMARRG-GMTAPVOTSA-N 1 0 212.293 0.354 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)C(C)(C)C#N)C1 ZINC000619872864 369623749 /nfs/dbraw/zinc/62/37/49/369623749.db2.gz NAWWPEHTSNCGII-UHFFFAOYSA-N 1 0 209.293 0.745 20 30 BCEDRO CCc1nc(C#N)cc(N2C[C@@H]3C[C@H]2C[NH2+]3)n1 ZINC000601979714 369730725 /nfs/dbraw/zinc/73/07/25/369730725.db2.gz AGJPFLAZBCKVAI-UWVGGRQHSA-N 1 0 229.287 0.461 20 30 BCEDRO CC1(C)C[NH2+]CC[C@@H](Nc2ccnc(C#N)n2)C1 ZINC000601983863 369732064 /nfs/dbraw/zinc/73/20/64/369732064.db2.gz PYHXUEPXCBNRJH-SNVBAGLBSA-N 1 0 245.330 0.960 20 30 BCEDRO N#Cc1nccc(N[C@H]2CC[NH2+]C23CCC3)n1 ZINC000601985332 369732143 /nfs/dbraw/zinc/73/21/43/369732143.db2.gz TZEKLGQOSLUZJN-VIFPVBQESA-N 1 0 229.287 0.467 20 30 BCEDRO CN(C)C(=O)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602530128 369806514 /nfs/dbraw/zinc/80/65/14/369806514.db2.gz DSAIVSVXJDSROZ-UHFFFAOYSA-N 1 0 232.287 0.521 20 30 BCEDRO C[NH2+]CCOCCNC(=O)c1ccc(C#N)cc1 ZINC000602560084 369812530 /nfs/dbraw/zinc/81/25/30/369812530.db2.gz BHOWNVIGNLRVPJ-UHFFFAOYSA-N 1 0 247.298 0.524 20 30 BCEDRO N#Cc1cccc(C[NH2+]CC2(O)CCC2)n1 ZINC000602551480 369812667 /nfs/dbraw/zinc/81/26/67/369812667.db2.gz OENBWGPAPFXTQT-UHFFFAOYSA-N 1 0 217.272 0.958 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]Cc1cccc(C#N)n1 ZINC000602569701 369813854 /nfs/dbraw/zinc/81/38/54/369813854.db2.gz RFRKDBAUZSZBRM-MRVPVSSYSA-N 1 0 218.260 0.307 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@]2(O)CCOC2)n1 ZINC000602581248 369819895 /nfs/dbraw/zinc/81/98/95/369819895.db2.gz GSQYMOROEQBCES-GFCCVEGCSA-N 1 0 233.271 0.194 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@H]2CCCNC2=O)n1 ZINC000602688703 369841051 /nfs/dbraw/zinc/84/10/51/369841051.db2.gz YCAFMRXVDGNKQW-SNVBAGLBSA-N 1 0 244.298 0.569 20 30 BCEDRO C[C@@H](O)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602607439 369826004 /nfs/dbraw/zinc/82/60/04/369826004.db2.gz JWSCAMNPJLSKON-SECBINFHSA-N 1 0 205.261 0.766 20 30 BCEDRO N#Cc1cccc(NC(=O)[C@H]2CCO[C@@H]2C[NH3+])c1 ZINC000602605052 369827984 /nfs/dbraw/zinc/82/79/84/369827984.db2.gz SHPSGHNTXVYZNV-NWDGAFQWSA-N 1 0 245.282 0.861 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)[C@@H]1CC1(F)F ZINC000602655607 369834856 /nfs/dbraw/zinc/83/48/56/369834856.db2.gz QGWPQOZZRURSBN-SFYZADRCSA-N 1 0 241.245 0.783 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CS1 ZINC000602654346 369835551 /nfs/dbraw/zinc/83/55/51/369835551.db2.gz LUKDLNYKSRIVNT-BDAKNGLRSA-N 1 0 237.332 0.633 20 30 BCEDRO N#Cc1ccc(CC(=O)N[C@H]2CCC[NH2+]C2)cn1 ZINC000602425901 369786585 /nfs/dbraw/zinc/78/65/85/369786585.db2.gz XXFHINLDSVFNKC-LBPRGKRZSA-N 1 0 244.298 0.364 20 30 BCEDRO C[NH2+][C@H]1CCN(C(=O)Cc2ccc(C#N)nc2)C1 ZINC000602422872 369786872 /nfs/dbraw/zinc/78/68/72/369786872.db2.gz UXRLUCNIDHYOIJ-LBPRGKRZSA-N 1 0 244.298 0.316 20 30 BCEDRO N#Cc1ccc(CC(=O)N2CCC[C@@H]2C[NH3+])cn1 ZINC000602431086 369788383 /nfs/dbraw/zinc/78/83/83/369788383.db2.gz BLYYLZWQSGQPID-GFCCVEGCSA-N 1 0 244.298 0.445 20 30 BCEDRO N#Cc1cccc(C[N@@H+](CCO)CCCO)n1 ZINC000602470233 369791038 /nfs/dbraw/zinc/79/10/38/369791038.db2.gz YROFHZPEUGWVLN-UHFFFAOYSA-N 1 0 235.287 0.130 20 30 BCEDRO CNC(=O)CCC[N@H+](C)Cc1cccc(C#N)n1 ZINC000602487705 369794230 /nfs/dbraw/zinc/79/42/30/369794230.db2.gz SPLPYNPAKYFEAJ-UHFFFAOYSA-N 1 0 246.314 0.911 20 30 BCEDRO CN(Cc1cccc(C#N)n1)[C@H]1CCNC1=O ZINC000602491686 369795537 /nfs/dbraw/zinc/79/55/37/369795537.db2.gz CYSZRYZOALSOII-NSHDSACASA-N 1 0 230.271 0.274 20 30 BCEDRO C[NH+](C)CCCNCc1cccc(C#N)n1 ZINC000602502568 369797797 /nfs/dbraw/zinc/79/77/97/369797797.db2.gz HCKXDXSPAOBUNE-UHFFFAOYSA-N 1 0 218.304 0.995 20 30 BCEDRO CC(C)NC(=O)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602509828 369798203 /nfs/dbraw/zinc/79/82/03/369798203.db2.gz UMIXZHSPXQERIM-UHFFFAOYSA-N 1 0 246.314 0.958 20 30 BCEDRO C[N@@H+]1CCN(Cc2ccccc2C#N)[C@@H](CO)C1 ZINC000602714620 369845881 /nfs/dbraw/zinc/84/58/81/369845881.db2.gz HRTDPDSMFKOUDR-CQSZACIVSA-N 1 0 245.326 0.667 20 30 BCEDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccccc1C#N ZINC000602898057 369861206 /nfs/dbraw/zinc/86/12/06/369861206.db2.gz KUKFJSXCHQIXCG-KGLIPLIRSA-N 1 0 246.310 0.876 20 30 BCEDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccccc1C#N ZINC000602898059 369861354 /nfs/dbraw/zinc/86/13/54/369861354.db2.gz KUKFJSXCHQIXCG-ZIAGYGMSSA-N 1 0 246.310 0.876 20 30 BCEDRO COC[C@@](C)(CO)[NH2+]Cc1ccc(C#N)cn1 ZINC000602931695 369866565 /nfs/dbraw/zinc/86/65/65/369866565.db2.gz JDTCLJNMSPQTHQ-GFCCVEGCSA-N 1 0 235.287 0.440 20 30 BCEDRO N#Cc1ccc(F)cc1Cn1cc(CC[NH3+])nn1 ZINC000603219969 369897348 /nfs/dbraw/zinc/89/73/48/369897348.db2.gz LRPXLCNGQGZPQY-UHFFFAOYSA-N 1 0 245.261 0.838 20 30 BCEDRO N#Cc1cnc(NC[C@@H]2CSCC[NH2+]2)cn1 ZINC000603418611 369959254 /nfs/dbraw/zinc/95/92/54/369959254.db2.gz HQNSMYSMBQXOON-SECBINFHSA-N 1 0 235.316 0.465 20 30 BCEDRO Cc1nc(C(=O)N[C@H](C)[C@H](C)[NH3+])ccc1C#N ZINC000568153034 326314377 /nfs/dbraw/zinc/31/43/77/326314377.db2.gz UHWHEZUYGUEARC-JGVFFNPUSA-N 1 0 232.287 0.727 20 30 BCEDRO C[C@@H](N[C@@H](C)CC#N)C(=O)NCC(F)(F)F ZINC000309749121 370252626 /nfs/dbraw/zinc/25/26/26/370252626.db2.gz JYQFEWLHJDPDKG-NKWVEPMBSA-N 1 0 237.225 0.945 20 30 BCEDRO C=CCCC[N@@H+](C)CCS(=O)(=O)NC ZINC000621258450 370191681 /nfs/dbraw/zinc/19/16/81/370191681.db2.gz LQIRNXZEPGYEIE-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO CN(C[C@@H]1CCC[N@@H+]1C)c1ncncc1C#N ZINC000310170099 370316335 /nfs/dbraw/zinc/31/63/35/370316335.db2.gz SYBCUMMHRIRXDV-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@@H](CC#N)[NH2+]CCCN1CCOCC1 ZINC000037871379 371038263 /nfs/dbraw/zinc/03/82/63/371038263.db2.gz VTINVTRCMBPKBH-NSHDSACASA-N 1 0 211.309 0.600 20 30 BCEDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000568857477 326379438 /nfs/dbraw/zinc/37/94/38/326379438.db2.gz DWCQCUFGYDCQAN-FRRDWIJNSA-N 1 0 239.363 0.827 20 30 BCEDRO COC[C@@](C)(O)CC[NH2+]C[C@@H](C#N)CCC#N ZINC000569112257 326390565 /nfs/dbraw/zinc/39/05/65/326390565.db2.gz VXVWSFFWJNYDFO-NEPJUHHUSA-N 1 0 239.319 0.807 20 30 BCEDRO C=CCCC[C@@H](C)Nc1nc(N)[nH+]c(N)n1 ZINC000624086102 371297114 /nfs/dbraw/zinc/29/71/14/371297114.db2.gz VQNDDRKCSMDKDX-SSDOTTSWSA-N 1 0 222.296 0.275 20 30 BCEDRO C=CCC(C)(C)CNc1nc(N)[nH+]c(N)n1 ZINC000624244240 371431151 /nfs/dbraw/zinc/43/11/51/371431151.db2.gz SGJOEYQLWFVINF-UHFFFAOYSA-N 1 0 222.296 0.133 20 30 BCEDRO C=CCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000624346452 371490902 /nfs/dbraw/zinc/49/09/02/371490902.db2.gz OGNXMZOWVSYEBZ-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C[C@@H](C(=O)N1CCN(CCC#N)CC1)[C@H](C)[NH3+] ZINC000157042804 371519412 /nfs/dbraw/zinc/51/94/12/371519412.db2.gz HRTRTLMSGLNESR-MNOVXSKESA-N 1 0 238.335 0.028 20 30 BCEDRO CC(C)[N@@H+](C)C[C@H](C)Nc1ccnc(C#N)n1 ZINC000393823092 371531995 /nfs/dbraw/zinc/53/19/95/371531995.db2.gz BOVRNGHDKFBJPA-JTQLQIEISA-N 1 0 233.319 0.911 20 30 BCEDRO C=CC[C@@H]1CCCN(c2nc(N)[nH+]c(N)n2)C1 ZINC000624393147 371498270 /nfs/dbraw/zinc/49/82/70/371498270.db2.gz NCWQUWIGAPWGKR-MRVPVSSYSA-N 1 0 234.307 0.489 20 30 BCEDRO C=CC(C)(C)CCNC(=O)C(=O)N(C)CC[NH3+] ZINC000627434481 371616005 /nfs/dbraw/zinc/61/60/05/371616005.db2.gz IYGAEOJJWDVXIP-UHFFFAOYSA-N 1 0 241.335 0.122 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000226030320 371601322 /nfs/dbraw/zinc/60/13/22/371601322.db2.gz DAUFLFGUYRFRTH-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO N#Cc1ncccc1OC[C@H]1CC[NH2+]C1 ZINC000131816182 371684733 /nfs/dbraw/zinc/68/47/33/371684733.db2.gz YKPGTSHRPZEGNA-VIFPVBQESA-N 1 0 203.245 0.942 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@H]2C[C@@H](O)C2)n1 ZINC000602722841 371833012 /nfs/dbraw/zinc/83/30/12/371833012.db2.gz AXOKZARIRKHQRE-WVSHTKLVSA-N 1 0 217.272 0.814 20 30 BCEDRO C=CCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627649629 371808244 /nfs/dbraw/zinc/80/82/44/371808244.db2.gz DGFUXSGFZGGQEA-IAZYJMLFSA-N 1 0 224.304 0.207 20 30 BCEDRO N#Cc1ncn(CC2CC[NH2+]CC2)c1C#N ZINC000164672666 372182126 /nfs/dbraw/zinc/18/21/26/372182126.db2.gz ZGYRXUDVHFIMGH-UHFFFAOYSA-N 1 0 215.260 0.626 20 30 BCEDRO CC(C)(CCC#N)C[NH2+]C[C@](C)(O)CO ZINC000229698487 372182472 /nfs/dbraw/zinc/18/24/72/372182472.db2.gz GMYAVKPVFXLDOI-NSHDSACASA-N 1 0 214.309 0.649 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@H]2C[NH2+]CCO2)cc1 ZINC000134255144 372186300 /nfs/dbraw/zinc/18/63/00/372186300.db2.gz OHYYECSVMMGDNF-GFCCVEGCSA-N 1 0 245.282 0.276 20 30 BCEDRO C=CCNC(=O)CN1CCCCC[C@@H]([NH3+])C1 ZINC000631831766 372616836 /nfs/dbraw/zinc/61/68/36/372616836.db2.gz OHSPAYBAXCZFQN-LLVKDONJSA-N 1 0 225.336 0.492 20 30 BCEDRO C=CCCCNS(=O)(=O)CCC[NH+](C)C ZINC000632289599 372867554 /nfs/dbraw/zinc/86/75/54/372867554.db2.gz WEZUNRRVLQGWLR-UHFFFAOYSA-N 1 0 234.365 0.824 20 30 BCEDRO C#CC[NH2+][C@@]1(CO)C[C@H](OCC)C1(C)C ZINC000190013270 259561998 /nfs/dbraw/zinc/56/19/98/259561998.db2.gz PBEMQSHGTURXPF-CMPLNLGQSA-N 1 0 211.305 0.775 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[NH2+]C1CC1 ZINC000633635799 373646334 /nfs/dbraw/zinc/64/63/34/373646334.db2.gz BHAAJKDKBFJSEJ-MNOVXSKESA-N 1 0 239.319 0.381 20 30 BCEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)NC ZINC000187178153 205740663 /nfs/dbraw/zinc/74/06/63/205740663.db2.gz YVENZGRDNQNBAU-NXEZZACHSA-N 1 0 234.365 0.726 20 30 BCEDRO C=C(CC)CNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000633716347 373701890 /nfs/dbraw/zinc/70/18/90/373701890.db2.gz WYFDSMLJNIMYAD-QWRGUYRKSA-N 1 0 241.335 0.710 20 30 BCEDRO C[NH+](C)CCNC(=O)c1cccc(F)c1C#N ZINC000187304734 205741392 /nfs/dbraw/zinc/74/13/92/205741392.db2.gz ZAESMYISTVXQLB-UHFFFAOYSA-N 1 0 235.262 0.989 20 30 BCEDRO CC#CCN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178500452 206007856 /nfs/dbraw/zinc/00/78/56/206007856.db2.gz ABXULKFOKUYVGC-ZDUSSCGKSA-N 1 0 222.332 0.664 20 30 BCEDRO C=C(C)CN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189573107 206014860 /nfs/dbraw/zinc/01/48/60/206014860.db2.gz PVUOTTHPMNOUIS-NWDGAFQWSA-N 1 0 212.337 0.949 20 30 BCEDRO CCC[C@@H]1C[NH2+]CCN1c1nccc(C#N)n1 ZINC000420230896 206024243 /nfs/dbraw/zinc/02/42/43/206024243.db2.gz JCICWUFCNNYXBC-LLVKDONJSA-N 1 0 231.303 0.927 20 30 BCEDRO CCC[C@H]1C[NH2+]CCN1c1nccc(C#N)n1 ZINC000420230898 206024313 /nfs/dbraw/zinc/02/43/13/206024313.db2.gz JCICWUFCNNYXBC-NSHDSACASA-N 1 0 231.303 0.927 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000289444309 206028341 /nfs/dbraw/zinc/02/83/41/206028341.db2.gz AZWCFRVSPBHHKB-SNVBAGLBSA-N 1 0 222.292 0.179 20 30 BCEDRO CCN(CC(=O)OC)C(=O)[C@H]([NH3+])CCCC#N ZINC000424193608 206036100 /nfs/dbraw/zinc/03/61/00/206036100.db2.gz QXYYLZKHBRCHAE-SECBINFHSA-N 1 0 241.291 0.029 20 30 BCEDRO CCOC(=O)COCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000459492123 206127514 /nfs/dbraw/zinc/12/75/14/206127514.db2.gz ZSOGHSSXYBZQCN-WDEREUQCSA-N 1 0 240.303 0.848 20 30 BCEDRO CC(C)Cn1ccnc1CNC(=[NH2+])N(C)C ZINC000178582465 134311888 /nfs/dbraw/zinc/31/18/88/134311888.db2.gz CIAVLAACRKQLRI-UHFFFAOYSA-N 1 0 223.324 0.915 20 30 BCEDRO C[NH+](C)CCNC(=O)c1ccc(C#N)cn1 ZINC000107779710 269685600 /nfs/dbraw/zinc/68/56/00/269685600.db2.gz LBDHVEVSTBYVHS-UHFFFAOYSA-N 1 0 218.260 0.245 20 30 BCEDRO COC(=O)c1cc(C#N)c(=O)n(CC[NH+](C)C)c1 ZINC000048438987 383852582 /nfs/dbraw/zinc/85/25/82/383852582.db2.gz KKOZLBSYJIVXCL-UHFFFAOYSA-N 1 0 249.270 0.068 20 30 BCEDRO COC[C@H](CCO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000234767824 383961012 /nfs/dbraw/zinc/96/10/12/383961012.db2.gz AGMRENBKAJHCMZ-NSHDSACASA-N 1 0 237.303 0.384 20 30 BCEDRO C=C[C@H](CO)Nc1cc(NC[C@H](C)O)ncn1 ZINC000298848184 384025044 /nfs/dbraw/zinc/02/50/44/384025044.db2.gz IWKPVRYJDVVLNJ-DTWKUNHWSA-N 1 0 238.291 0.228 20 30 BCEDRO CC(C)[C@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000287378795 384053761 /nfs/dbraw/zinc/05/37/61/384053761.db2.gz IBPWKGZVLBTYFY-VIFPVBQESA-N 1 0 207.281 0.784 20 30 BCEDRO CC[N@H+](CCNC(=O)[C@@H](C)C#N)C1CC1 ZINC000227633565 134389193 /nfs/dbraw/zinc/38/91/93/134389193.db2.gz SFCAGCOGWLYGJL-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCC=C)CC1 ZINC000299008325 384087785 /nfs/dbraw/zinc/08/77/85/384087785.db2.gz BMGPHABUCUXCFE-UHFFFAOYSA-N 1 0 206.289 0.634 20 30 BCEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)NCC#CCO ZINC000298971929 384089320 /nfs/dbraw/zinc/08/93/20/384089320.db2.gz OUBKRSALXNMIOB-JTQLQIEISA-N 1 0 226.320 0.265 20 30 BCEDRO C#CCCN1CCn2c(nnc2C2CC2)C1 ZINC000363467843 384072421 /nfs/dbraw/zinc/07/24/21/384072421.db2.gz KIQMIVAYISYEMP-UHFFFAOYSA-N 1 0 216.288 0.994 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000332669884 384108597 /nfs/dbraw/zinc/10/85/97/384108597.db2.gz BKALOHKMWCCZPR-GMTAPVOTSA-N 1 0 237.303 0.078 20 30 BCEDRO Cc1ccnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c1C#N ZINC000135206699 384173153 /nfs/dbraw/zinc/17/31/53/384173153.db2.gz UJCAIVUNQOCBSJ-PHIMTYICSA-N 1 0 228.299 0.917 20 30 BCEDRO Cc1n[nH]c(CC[NH2+][C@H]2CC[C@@H](C#N)C2)n1 ZINC000309838685 384186461 /nfs/dbraw/zinc/18/64/61/384186461.db2.gz CAKRVZVSXCBAQF-ZJUUUORDSA-N 1 0 219.292 0.938 20 30 BCEDRO C[N@H+](CCC(N)=O)Cc1ccccc1C#N ZINC000286544402 384188929 /nfs/dbraw/zinc/18/89/29/384188929.db2.gz SCOWRDHGIGXJMV-UHFFFAOYSA-N 1 0 217.272 0.865 20 30 BCEDRO CN(CC[NH+](C)C)c1cnccc1C#N ZINC000135608390 384195559 /nfs/dbraw/zinc/19/55/59/384195559.db2.gz MQHDKUBFVDUGNX-UHFFFAOYSA-N 1 0 204.277 0.951 20 30 BCEDRO C=CCCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000081903672 384215307 /nfs/dbraw/zinc/21/53/07/384215307.db2.gz GZTCKHOWYLEEQG-SECBINFHSA-N 1 0 205.323 0.975 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000069629748 384246368 /nfs/dbraw/zinc/24/63/68/384246368.db2.gz GMCFPYZLDQPEHT-DCAQKATOSA-N 1 0 225.336 0.359 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000069626844 384246960 /nfs/dbraw/zinc/24/69/60/384246960.db2.gz HUDMRRVTIVKKFA-GHMZBOCLSA-N 1 0 225.336 0.348 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187815577 384277356 /nfs/dbraw/zinc/27/73/56/384277356.db2.gz QDKMGEAYLMZGBX-GHMZBOCLSA-N 1 0 238.335 0.739 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1[NH2+]CC1(C)C ZINC000644165929 384256698 /nfs/dbraw/zinc/25/66/98/384256698.db2.gz CLUZIBMGRMPYOE-GARJFASQSA-N 1 0 238.331 0.692 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000187815640 384275373 /nfs/dbraw/zinc/27/53/73/384275373.db2.gz QDKMGEAYLMZGBX-QWRGUYRKSA-N 1 0 238.335 0.739 20 30 BCEDRO CC#CCNC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000296638407 384282613 /nfs/dbraw/zinc/28/26/13/384282613.db2.gz ZOXRRWTUPZZPFB-PHIMTYICSA-N 1 0 223.320 0.744 20 30 BCEDRO CC[N@H+](CCO)C[C@H](O)c1ccc(C#N)cc1 ZINC000037900135 384283813 /nfs/dbraw/zinc/28/38/13/384283813.db2.gz JYVYWJSQYTZKAP-ZDUSSCGKSA-N 1 0 234.299 0.906 20 30 BCEDRO C#CCCN1CCN([C@H]2CCC[N@@H+](C)C2)CC1 ZINC000371203612 533053588 /nfs/dbraw/zinc/05/35/88/533053588.db2.gz CBIDRPZBGPKMEL-AWEZNQCLSA-N 1 0 235.375 0.722 20 30 BCEDRO C#CCCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000363457443 533055392 /nfs/dbraw/zinc/05/53/92/533055392.db2.gz LSOJRJUNJNMQEC-OLZOCXBDSA-N 1 0 222.332 0.541 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000368510291 533057175 /nfs/dbraw/zinc/05/71/75/533057175.db2.gz DMSRSRGOWOUYIM-STQMWFEESA-N 1 0 222.332 0.805 20 30 BCEDRO Cn1nncc1C(=O)NCC[NH2+]C(C)(C)C ZINC000330363961 384365050 /nfs/dbraw/zinc/36/50/50/384365050.db2.gz ASGRBLNZFLFLME-UHFFFAOYSA-N 1 0 225.296 0.508 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@]1(C)CO ZINC000330364192 384365962 /nfs/dbraw/zinc/36/59/62/384365962.db2.gz GVAPWSRRUQOKBW-CMPLNLGQSA-N 1 0 226.320 0.429 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](OC)C1 ZINC000076347428 384367519 /nfs/dbraw/zinc/36/75/19/384367519.db2.gz AIBGINGLJWCJPY-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C[C@@H](C#N)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000335607816 384386953 /nfs/dbraw/zinc/38/69/53/384386953.db2.gz HXZGOHKWOBXLHK-IUCAKERBSA-N 1 0 209.293 0.793 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H](O)COC[C@H]1CCCO1 ZINC000550499820 384389522 /nfs/dbraw/zinc/38/95/22/384389522.db2.gz ACBVLIGTLUFKSZ-CHWSQXEVSA-N 1 0 241.331 0.498 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000159399728 384390358 /nfs/dbraw/zinc/39/03/58/384390358.db2.gz ILKHVYMZIQVDQL-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000120289794 384434131 /nfs/dbraw/zinc/43/41/31/384434131.db2.gz VOGWUQAEEVETBK-SNVBAGLBSA-N 1 0 246.376 0.965 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000490850257 384435910 /nfs/dbraw/zinc/43/59/10/384435910.db2.gz AVPDEKLLZTZHCH-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCCCO1 ZINC000490850256 384437667 /nfs/dbraw/zinc/43/76/67/384437667.db2.gz AVPDEKLLZTZHCH-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CC[C@@H]1CCNC1=O ZINC000568180965 384466277 /nfs/dbraw/zinc/46/62/77/384466277.db2.gz HHKQZHPOBFKWMB-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO COc1cccc([C@@H](C)[NH2+]CC(=O)NCC#N)c1 ZINC000148288436 384467267 /nfs/dbraw/zinc/46/72/67/384467267.db2.gz GGEVXGNEZFQZKE-SNVBAGLBSA-N 1 0 247.298 0.986 20 30 BCEDRO CN(Cc1ccc(N)nc1)c1nccnc1C#N ZINC000135986017 384474319 /nfs/dbraw/zinc/47/43/19/384474319.db2.gz JAIXCLHXBXWQHG-UHFFFAOYSA-N 1 0 240.270 0.962 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OCCCCO)CC1 ZINC000490897995 384474680 /nfs/dbraw/zinc/47/46/80/384474680.db2.gz HHYYQQUZUBCSFG-UHFFFAOYSA-N 1 0 239.315 0.647 20 30 BCEDRO C[NH+](C)C1CN(C(=O)C2(C#N)CCCC2)C1 ZINC000335665675 384481350 /nfs/dbraw/zinc/48/13/50/384481350.db2.gz MJWIPMQVRSKPKM-UHFFFAOYSA-N 1 0 221.304 0.843 20 30 BCEDRO CCO[C@@H]1COC[C@H]1NCc1ccc(C#N)cn1 ZINC000564587199 384458860 /nfs/dbraw/zinc/45/88/60/384458860.db2.gz ZZPIQHILYGWJBA-CHWSQXEVSA-N 1 0 247.298 0.847 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000517778280 384506027 /nfs/dbraw/zinc/50/60/27/384506027.db2.gz TURHNHNXWVNQEQ-WDEREUQCSA-N 1 0 244.360 0.308 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000517778278 384506076 /nfs/dbraw/zinc/50/60/76/384506076.db2.gz TURHNHNXWVNQEQ-MNOVXSKESA-N 1 0 244.360 0.308 20 30 BCEDRO C=CCOCC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000517882906 384547351 /nfs/dbraw/zinc/54/73/51/384547351.db2.gz BMQGYYCMNBEANK-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000085612764 384548260 /nfs/dbraw/zinc/54/82/60/384548260.db2.gz BHNSSDPSFLMHPZ-QMMMGPOBSA-N 1 0 200.307 0.384 20 30 BCEDRO CN(CCO)Cc1ccc(C#N)cc1[N+](=O)[O-] ZINC000564659950 384552044 /nfs/dbraw/zinc/55/20/44/384552044.db2.gz BQBBLRRNNQUQJM-UHFFFAOYSA-N 1 0 235.243 0.891 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](CC)Cn1cncn1 ZINC000309731027 384570423 /nfs/dbraw/zinc/57/04/23/384570423.db2.gz ZYUNVEMPQFAPPM-WDEREUQCSA-N 1 0 224.308 0.583 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@H](O)C1 ZINC000299891208 384581858 /nfs/dbraw/zinc/58/18/58/384581858.db2.gz JZIQETCZGAWEOP-OUAUKWLOSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000643069926 384589674 /nfs/dbraw/zinc/58/96/74/384589674.db2.gz ZNMWCOVPVLLLQZ-QJPTWQEYSA-N 1 0 237.347 0.361 20 30 BCEDRO Cc1nc(NC(=O)[C@@H]2CN(C)CCO2)n[nH]1 ZINC000081348122 384611125 /nfs/dbraw/zinc/61/11/25/384611125.db2.gz YHJKCMQWAWEZBD-ZETCQYMHSA-N 1 0 225.252 0.032 20 30 BCEDRO CN(CC[NH+](C)C)c1cnc(C#N)cn1 ZINC000071179116 384669057 /nfs/dbraw/zinc/66/90/57/384669057.db2.gz BONPVLCHFTXFPH-UHFFFAOYSA-N 1 0 205.265 0.346 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC[C@H](O)CC ZINC000491784976 384688675 /nfs/dbraw/zinc/68/86/75/384688675.db2.gz RJHDWGITTMQKCK-LLVKDONJSA-N 1 0 226.320 0.267 20 30 BCEDRO C[C@H]1C[C@H](Nc2ncncc2C#N)C[N@@H+]1C1CC1 ZINC000565890202 384716155 /nfs/dbraw/zinc/71/61/55/384716155.db2.gz OSGXWGWKCCOAMB-ONGXEEELSA-N 1 0 243.314 0.807 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@H](O)CCOC(C)C ZINC000491805734 384773898 /nfs/dbraw/zinc/77/38/98/384773898.db2.gz PDUCUWQYSCOVQU-CHWSQXEVSA-N 1 0 241.331 0.496 20 30 BCEDRO CN1CC[C@@H]([NH+]2CCC(CC#N)CC2)C1=O ZINC000335978584 384747220 /nfs/dbraw/zinc/74/72/20/384747220.db2.gz LJHOJFKTHNAOHL-LLVKDONJSA-N 1 0 221.304 0.843 20 30 BCEDRO C[C@H]([NH3+])C[C@H](C)Nc1nccc(C#N)n1 ZINC000320593066 384748519 /nfs/dbraw/zinc/74/85/19/384748519.db2.gz WBLNYWIYUJZQJT-YUMQZZPRSA-N 1 0 205.265 0.886 20 30 BCEDRO CN1C[C@H]([NH2+][C@@H]2CCC[C@H](C#N)C2)CC1=O ZINC000309969495 384748600 /nfs/dbraw/zinc/74/86/00/384748600.db2.gz OSCKFOGLOWSARD-HBNTYKKESA-N 1 0 221.304 0.889 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC[C@H](CO)C1 ZINC000491414552 384750880 /nfs/dbraw/zinc/75/08/80/384750880.db2.gz CZBWIGCAESLQMB-RYUDHWBXSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1cccnc1 ZINC000491809330 384824113 /nfs/dbraw/zinc/82/41/13/384824113.db2.gz XESBVDRTVHQQGZ-UHFFFAOYSA-N 1 0 231.299 0.353 20 30 BCEDRO CC[NH+]=C(NCCc1nc(C)no1)NC1CC1 ZINC000103904483 384788259 /nfs/dbraw/zinc/78/82/59/384788259.db2.gz QAQWDVFNLQAZKM-UHFFFAOYSA-N 1 0 237.307 0.638 20 30 BCEDRO C[NH+](C)CC1CCN(C(=O)CC#N)CC1 ZINC000042388171 384790377 /nfs/dbraw/zinc/79/03/77/384790377.db2.gz PELOFPVJGZJABN-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CCOC)C1CC1 ZINC000491067904 384798975 /nfs/dbraw/zinc/79/89/75/384798975.db2.gz LETWKTCBDXQRLR-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO N#CC1(CN2CCC[C@@]23CCNC3=O)CC1 ZINC000518212841 384801358 /nfs/dbraw/zinc/80/13/58/384801358.db2.gz QMCAGPUOQKVQRM-LBPRGKRZSA-N 1 0 219.288 0.645 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)CCO ZINC000297442786 384812129 /nfs/dbraw/zinc/81/21/29/384812129.db2.gz ZYVHMEKACXKIEG-LLVKDONJSA-N 1 0 241.335 0.012 20 30 BCEDRO CC#CCCNC(=O)NCC1CC[NH2+]CC1 ZINC000557180793 384869939 /nfs/dbraw/zinc/86/99/39/384869939.db2.gz KBABGMJZHUGTAC-UHFFFAOYSA-N 1 0 223.320 0.699 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000646903293 384850037 /nfs/dbraw/zinc/85/00/37/384850037.db2.gz GUORJYKNSMJHQX-RYUDHWBXSA-N 1 0 240.347 0.627 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000491465358 384943706 /nfs/dbraw/zinc/94/37/06/384943706.db2.gz WFYLCJSHRVSSPV-WDEREUQCSA-N 1 0 238.331 0.529 20 30 BCEDRO CNC(NCCc1c(C)noc1C)=[NH+]C ZINC000107077747 384947843 /nfs/dbraw/zinc/94/78/43/384947843.db2.gz GKPGWEDFPMCEDV-UHFFFAOYSA-N 1 0 210.281 0.629 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000518370431 384988013 /nfs/dbraw/zinc/98/80/13/384988013.db2.gz BMRGZVREWTVYSQ-GMTAPVOTSA-N 1 0 243.351 0.739 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1ccc(C#N)s1 ZINC000135500998 384990735 /nfs/dbraw/zinc/99/07/35/384990735.db2.gz KJCFPKWDYLMHPM-MRVPVSSYSA-N 1 0 226.301 0.717 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000644618036 385008108 /nfs/dbraw/zinc/00/81/08/385008108.db2.gz VVQYTUIPZBFULP-SECBINFHSA-N 1 0 221.322 0.212 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CSCC#N ZINC000293969197 533099120 /nfs/dbraw/zinc/09/91/20/533099120.db2.gz LTDPVLSBULNUPZ-UHFFFAOYSA-N 1 0 239.344 0.314 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)COCC ZINC000294083015 533099691 /nfs/dbraw/zinc/09/96/91/533099691.db2.gz WYUNLQCLPVDZGH-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C[NH+](C)C1CN(c2cc(C#N)ccn2)C1 ZINC000260559087 385065121 /nfs/dbraw/zinc/06/51/21/385065121.db2.gz WHQHPXYXFNSIEZ-UHFFFAOYSA-N 1 0 202.261 0.703 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)s1 ZINC000599002478 385084412 /nfs/dbraw/zinc/08/44/12/385084412.db2.gz BVQFLDKDGGXJBS-ZKCHVHJHSA-N 1 0 235.312 0.973 20 30 BCEDRO C[NH+](C)CC(=O)NCC#Cc1ccccc1 ZINC000298041076 385084726 /nfs/dbraw/zinc/08/47/26/385084726.db2.gz IFIXMDIUTRDYPE-UHFFFAOYSA-N 1 0 216.284 0.716 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245921710 385078072 /nfs/dbraw/zinc/07/80/72/385078072.db2.gz NZNGXODAESDCNM-PWSUYJOCSA-N 1 0 226.320 0.524 20 30 BCEDRO Cc1cnc(C(=O)N[C@](C)(C#N)CN(C)C)cn1 ZINC000557590350 385027527 /nfs/dbraw/zinc/02/75/27/385027527.db2.gz KRVGCXQLIWLZQF-GFCCVEGCSA-N 1 0 247.302 0.359 20 30 BCEDRO C#CCCCCNC(=[NH2+])N[C@@H](C)COC ZINC000129139671 385113937 /nfs/dbraw/zinc/11/39/37/385113937.db2.gz GZWMQHXOFQWCLU-JTQLQIEISA-N 1 0 211.309 0.729 20 30 BCEDRO C=CCCOCC(=O)N(C)CCC[NH2+]C ZINC000643606595 385117395 /nfs/dbraw/zinc/11/73/95/385117395.db2.gz ICXADGDCXJWUEK-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000646997525 385129319 /nfs/dbraw/zinc/12/93/19/385129319.db2.gz WNYZUNCJNLSPGY-MNOVXSKESA-N 1 0 226.320 0.965 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000647018407 385142534 /nfs/dbraw/zinc/14/25/34/385142534.db2.gz IMKVQUCYDQXOGY-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)cc1 ZINC000599003693 385087230 /nfs/dbraw/zinc/08/72/30/385087230.db2.gz LVLVRQNQZNLMKO-HAQNSBGRSA-N 1 0 229.283 0.912 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CCCCCO ZINC000227118352 385090337 /nfs/dbraw/zinc/09/03/37/385090337.db2.gz ZTHWELHYUCDCMC-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000449737182 385099830 /nfs/dbraw/zinc/09/98/30/385099830.db2.gz YIYVKVLPRNFLOD-WDEREUQCSA-N 1 0 224.304 0.399 20 30 BCEDRO Cc1[nH]c(C#N)cc1C(=O)N[C@@H](C)C[NH+](C)C ZINC000451762124 385184034 /nfs/dbraw/zinc/18/40/34/385184034.db2.gz NWXMBUPKSWKJRB-QMMMGPOBSA-N 1 0 234.303 0.875 20 30 BCEDRO C#CCN(CC#C)CC1(CC(=O)OC)CC1 ZINC000491622718 385188848 /nfs/dbraw/zinc/18/88/48/385188848.db2.gz FJNJSZMBZJFBDO-UHFFFAOYSA-N 1 0 219.284 0.898 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)[NH+](C)C ZINC000644785206 385191189 /nfs/dbraw/zinc/19/11/89/385191189.db2.gz LLXGCOJWQWKWGA-DCAQKATOSA-N 1 0 226.320 0.644 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1COCC1(C)C ZINC000313025851 385195703 /nfs/dbraw/zinc/19/57/03/385195703.db2.gz RANZRDGBIMBNBM-UWVGGRQHSA-N 1 0 224.304 0.139 20 30 BCEDRO C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)NCCF ZINC000309523940 134444898 /nfs/dbraw/zinc/44/48/98/134444898.db2.gz CJQJHVZTJYAKIX-AEJSXWLSSA-N 1 0 227.283 0.742 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000647018410 385143099 /nfs/dbraw/zinc/14/30/99/385143099.db2.gz IMKVQUCYDQXOGY-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000491567552 385156751 /nfs/dbraw/zinc/15/67/51/385156751.db2.gz LWVZLOJDTYFLAL-WDEREUQCSA-N 1 0 235.331 0.934 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1ccnn1C ZINC000293869931 533106963 /nfs/dbraw/zinc/10/69/63/533106963.db2.gz BTYKRYROGMSBDE-UHFFFAOYSA-N 1 0 234.303 0.105 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000178005209 385169372 /nfs/dbraw/zinc/16/93/72/385169372.db2.gz WQOPFZUPUBJWOJ-ZDUSSCGKSA-N 1 0 240.347 0.868 20 30 BCEDRO CC[N@H+](CCC(=O)NC(N)=O)C[C@H](C)C#N ZINC000157649809 385221708 /nfs/dbraw/zinc/22/17/08/385221708.db2.gz TVYKIZYXXGAARW-MRVPVSSYSA-N 1 0 226.280 0.053 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CCC([NH3+])CC1 ZINC000157680147 385221987 /nfs/dbraw/zinc/22/19/87/385221987.db2.gz OLMDFMGCGXIIPW-SNVBAGLBSA-N 1 0 226.320 0.917 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+]C2(C(N)=O)CC2)C1 ZINC000308851899 385225770 /nfs/dbraw/zinc/22/57/70/385225770.db2.gz CIORSXCJUYJWRF-DTWKUNHWSA-N 1 0 207.277 0.676 20 30 BCEDRO C=CCn1cc(C(=O)N2CC[NH2+]C(C)(C)C2)nn1 ZINC000648148831 385256986 /nfs/dbraw/zinc/25/69/86/385256986.db2.gz TWAUYQYZEDYMGL-UHFFFAOYSA-N 1 0 249.318 0.288 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000647082259 385240758 /nfs/dbraw/zinc/24/07/58/385240758.db2.gz ZGKUHTSPQLBHPP-LLVKDONJSA-N 1 0 242.319 0.074 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC(C)(C)[NH3+] ZINC000491629476 385242437 /nfs/dbraw/zinc/24/24/37/385242437.db2.gz OEYMMHQSIHBDNU-UHFFFAOYSA-N 1 0 221.304 0.392 20 30 BCEDRO COC[C@H](CO)[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000330363810 385252592 /nfs/dbraw/zinc/25/25/92/385252592.db2.gz UFUOQQYIKVYFHQ-AXFHLTTASA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCC[C@@H](CO)Nc1nc(C)nc(N)n1 ZINC000316584167 385303308 /nfs/dbraw/zinc/30/33/08/385303308.db2.gz NLTFDCBBHLPPEV-QMMMGPOBSA-N 1 0 223.280 0.501 20 30 BCEDRO CC#CCN1C[C@@H](OC)C[C@H]1C(=O)OC ZINC000246933603 385260545 /nfs/dbraw/zinc/26/05/45/385260545.db2.gz QLNUORKPIFTMCI-UWVGGRQHSA-N 1 0 211.261 0.272 20 30 BCEDRO N#Cc1ccc(NCC[NH+]2CCCC2)nn1 ZINC000179974266 385260534 /nfs/dbraw/zinc/26/05/34/385260534.db2.gz KUNBKSKRXCJWBZ-UHFFFAOYSA-N 1 0 217.276 0.856 20 30 BCEDRO C#CCNC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000491304179 385329100 /nfs/dbraw/zinc/32/91/00/385329100.db2.gz DQKOQKHFFQTPIU-VHSXEESVSA-N 1 0 209.293 0.246 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCCC1=CC[NH2+]CC1 ZINC000491651566 385346866 /nfs/dbraw/zinc/34/68/66/385346866.db2.gz HSGLJFCEGASPDC-NSHDSACASA-N 1 0 235.331 0.959 20 30 BCEDRO C[C@@H]1CCCC[N@@H+]1CCC(=O)NCC#N ZINC000407999315 385347421 /nfs/dbraw/zinc/34/74/21/385347421.db2.gz VIGNUKJNPLQOLZ-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnn(CCC)c1 ZINC000309046434 385389476 /nfs/dbraw/zinc/38/94/76/385389476.db2.gz OXEFBBZAJRGQLP-LLVKDONJSA-N 1 0 209.293 0.930 20 30 BCEDRO COC[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)OC ZINC000308971213 385328500 /nfs/dbraw/zinc/32/85/00/385328500.db2.gz ZOQXCGIQSLUYDN-MXWKQRLJSA-N 1 0 212.293 0.930 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)[C@@H](C)C#N ZINC000309104771 385424053 /nfs/dbraw/zinc/42/40/53/385424053.db2.gz LJGCYTKSZZOMLN-VHSXEESVSA-N 1 0 211.309 0.991 20 30 BCEDRO CN(Cc1nncn1C)CC1(CC#N)CC1 ZINC000390592989 385405094 /nfs/dbraw/zinc/40/50/94/385405094.db2.gz SUGWDIVRUOURQG-UHFFFAOYSA-N 1 0 219.292 0.941 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000170906648 385454551 /nfs/dbraw/zinc/45/45/51/385454551.db2.gz MIXJPYXWWUAVKS-UHFFFAOYSA-N 1 0 220.276 0.162 20 30 BCEDRO CN(C)C(=[NH2+])NCCc1cn2ccccc2n1 ZINC000170909735 385454911 /nfs/dbraw/zinc/45/49/11/385454911.db2.gz AGMWHEJRCRNDPJ-UHFFFAOYSA-N 1 0 231.303 0.753 20 30 BCEDRO [NH2+]=C(NC[C@@H](O)c1ccccc1)N1CCOCC1 ZINC000170905402 385455337 /nfs/dbraw/zinc/45/53/37/385455337.db2.gz VNAUOKLAFXGILL-GFCCVEGCSA-N 1 0 249.314 0.367 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cc(C)no1 ZINC000170911922 385456059 /nfs/dbraw/zinc/45/60/59/385456059.db2.gz GFOFZMXXEMGRLN-UHFFFAOYSA-N 1 0 208.265 0.963 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ccc(OCC#N)cc1 ZINC000170914881 385456462 /nfs/dbraw/zinc/45/64/62/385456462.db2.gz DHROVTUTMDHVDH-UHFFFAOYSA-N 1 0 232.287 0.965 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000491373445 385479205 /nfs/dbraw/zinc/47/92/05/385479205.db2.gz MZGLVIUMZOCCNP-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO C[NH+]=C(NCc1nccs1)NC1CC1 ZINC000171409996 385482622 /nfs/dbraw/zinc/48/26/22/385482622.db2.gz QTVFHRCXNWLCPB-UHFFFAOYSA-N 1 0 210.306 0.971 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000644115024 385492365 /nfs/dbraw/zinc/49/23/65/385492365.db2.gz LBKUXDBKERKVLI-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCN(CCCC#N)[C@H]1CCS(=O)(=O)C1 ZINC000171747881 385513139 /nfs/dbraw/zinc/51/31/39/385513139.db2.gz SCGYSYLYIBSANC-NSHDSACASA-N 1 0 242.344 0.965 20 30 BCEDRO C=C(Br)CN(C)CCOCCO ZINC000282241485 385536381 /nfs/dbraw/zinc/53/63/81/385536381.db2.gz BMGGHWRCBQOTSX-UHFFFAOYSA-N 1 0 238.125 0.836 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)C[N@@H+](CC)C1CC1 ZINC000491695196 385521059 /nfs/dbraw/zinc/52/10/59/385521059.db2.gz NWDICHKJJFBPGO-LLVKDONJSA-N 1 0 236.315 0.331 20 30 BCEDRO C=CCNC(=[NH2+])NCC(=O)OC(C)(C)C ZINC000172155359 385553344 /nfs/dbraw/zinc/55/33/44/385553344.db2.gz LZJISKRPMWNXBO-UHFFFAOYSA-N 1 0 213.281 0.418 20 30 BCEDRO C[C@@H]1[C@H](C(=O)NC2(C#N)CCC2)CC[N@@H+]1C ZINC000592754803 385577065 /nfs/dbraw/zinc/57/70/65/385577065.db2.gz KNUYCHPZGPDBFQ-NXEZZACHSA-N 1 0 221.304 0.889 20 30 BCEDRO N#Cc1csc(C[NH2+]C[C@@H](O)C2CC2)n1 ZINC000308860722 385598608 /nfs/dbraw/zinc/59/86/08/385598608.db2.gz AEXKTYJNZHQTHS-SECBINFHSA-N 1 0 223.301 0.875 20 30 BCEDRO C=CCCC[NH+]1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000309460760 385592138 /nfs/dbraw/zinc/59/21/38/385592138.db2.gz UKQAKPUKMBXBCI-CYBMUJFWSA-N 1 0 223.364 0.932 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CC(CC#N)C2)CC1 ZINC000598021264 385592427 /nfs/dbraw/zinc/59/24/27/385592427.db2.gz PMGFDSAGFRXLGP-UHFFFAOYSA-N 1 0 207.277 0.453 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)c1ccco1 ZINC000491708959 385612713 /nfs/dbraw/zinc/61/27/13/385612713.db2.gz PLAAVCKMNFBNIB-JTQLQIEISA-N 1 0 236.271 0.042 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000596601792 385654352 /nfs/dbraw/zinc/65/43/52/385654352.db2.gz VTNUEUCSUKZZCV-JQWIXIFHSA-N 1 0 238.335 0.882 20 30 BCEDRO C[C@@H](CCNC(=O)NCCCC#N)[NH+](C)C ZINC000596555737 385654378 /nfs/dbraw/zinc/65/43/78/385654378.db2.gz UBBWQBHMRJTSPO-JTQLQIEISA-N 1 0 226.324 0.930 20 30 BCEDRO C#CCNC(N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C)=[NH+]CC ZINC000262460343 533142406 /nfs/dbraw/zinc/14/24/06/533142406.db2.gz XLYWFKLRCNMBTL-TUAOUCFPSA-N 1 0 249.358 0.988 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](CC)CO)CC1 ZINC000188266803 385683117 /nfs/dbraw/zinc/68/31/17/385683117.db2.gz CHWMWFGGQOWNDF-LBPRGKRZSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C[C@@H](CO)[NH2+][C@@H]1CCCc2nn(C)cc21 ZINC000309585530 385717436 /nfs/dbraw/zinc/71/74/36/385717436.db2.gz SCOSCNYBQDZYDJ-GXSJLCMTSA-N 1 0 221.304 0.934 20 30 BCEDRO N#Cc1csc(CNCC(=O)NC2CC2)n1 ZINC000309550282 385689350 /nfs/dbraw/zinc/68/93/50/385689350.db2.gz FPSSFEIEQDBAKJ-UHFFFAOYSA-N 1 0 236.300 0.383 20 30 BCEDRO C#CCNC(NC[C@H]1CCCO1)=[NH+]CC ZINC000262508961 533142809 /nfs/dbraw/zinc/14/28/09/533142809.db2.gz ASURUZWGOAYWNW-SNVBAGLBSA-N 1 0 209.293 0.354 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)F)C1 ZINC000309585516 385717810 /nfs/dbraw/zinc/71/78/10/385717810.db2.gz SCJGALLKTGOQMV-HTQZYQBOSA-N 1 0 231.246 0.650 20 30 BCEDRO C#CCNC(=[NH+]C)N1CC[C@H](COC)C1 ZINC000262487201 533140726 /nfs/dbraw/zinc/14/07/26/533140726.db2.gz SXIXAIWIPSOIAM-JTQLQIEISA-N 1 0 209.293 0.163 20 30 BCEDRO C#CCNC(NC[C@]1(C)CCCC[C@H]1O)=[NH+]C ZINC000262806224 533141092 /nfs/dbraw/zinc/14/10/92/533141092.db2.gz SHJAGERRTHXWND-YPMHNXCESA-N 1 0 237.347 0.726 20 30 BCEDRO C#CCNC(=[NH+]CC)N1CC[C@H](COC)C1 ZINC000262428544 533142741 /nfs/dbraw/zinc/14/27/41/533142741.db2.gz DHNVWSXQFHUFKS-NSHDSACASA-N 1 0 223.320 0.553 20 30 BCEDRO CC[C@@H]1[C@H](C)CC[N@@H+]1CC(=O)NCC#N ZINC000185662935 385730933 /nfs/dbraw/zinc/73/09/33/385730933.db2.gz AOCMMKYLQCHNEV-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCC#N ZINC000185662976 385731516 /nfs/dbraw/zinc/73/15/16/385731516.db2.gz AOCMMKYLQCHNEV-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCOCCO)C1 ZINC000185756502 385733584 /nfs/dbraw/zinc/73/35/84/385733584.db2.gz KNNRYJAUVSDODN-MNOVXSKESA-N 1 0 212.293 0.667 20 30 BCEDRO C#CCNC(NCCc1nc(C)no1)=[NH+]CC ZINC000262623297 533143290 /nfs/dbraw/zinc/14/32/90/533143290.db2.gz QPXJXJXHUSLWAQ-UHFFFAOYSA-N 1 0 235.291 0.109 20 30 BCEDRO C#CCNC(=[NH+]CC)N1CC[C@@H](COC)C1 ZINC000262428543 533143304 /nfs/dbraw/zinc/14/33/04/533143304.db2.gz DHNVWSXQFHUFKS-LLVKDONJSA-N 1 0 223.320 0.553 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)CC(C)(C)CO)C1=O ZINC000451252273 385751999 /nfs/dbraw/zinc/75/19/99/385751999.db2.gz JYBHPLFLDHFSAS-NSHDSACASA-N 1 0 240.347 0.724 20 30 BCEDRO C#C[C@H](CC)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491743821 385764882 /nfs/dbraw/zinc/76/48/82/385764882.db2.gz LEHRYGPGFVEWBB-MNOVXSKESA-N 1 0 235.331 0.934 20 30 BCEDRO C[NH+](C)C1(CNc2ccnc(C#N)n2)CC1 ZINC000397840269 385721637 /nfs/dbraw/zinc/72/16/37/385721637.db2.gz QHCJLMSASUGQTK-UHFFFAOYSA-N 1 0 217.276 0.276 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)CCC#N)C1 ZINC000408459686 385726603 /nfs/dbraw/zinc/72/66/03/385726603.db2.gz YRIXNZMFBBGZOQ-SNVBAGLBSA-N 1 0 245.348 0.304 20 30 BCEDRO COC(=O)[C@](C)(O)C[NH+]1CCC(C#N)CC1 ZINC000408384399 385801857 /nfs/dbraw/zinc/80/18/57/385801857.db2.gz ZHVYAJAGGNFFLJ-LLVKDONJSA-N 1 0 226.276 0.146 20 30 BCEDRO CN(C(=O)CCC[NH3+])[C@H]1CCC[C@@H]1C#N ZINC000602597317 385809005 /nfs/dbraw/zinc/80/90/05/385809005.db2.gz AXDHFAOAJLXRNU-ZJUUUORDSA-N 1 0 209.293 0.876 20 30 BCEDRO CN(C(=O)[C@@H]1C[NH2+]CCO1)[C@@H]1CCC[C@H]1C#N ZINC000602597346 385809246 /nfs/dbraw/zinc/80/92/46/385809246.db2.gz BDUSNMZDZFZISW-AXFHLTTASA-N 1 0 237.303 0.125 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C)(CO)CC1 ZINC000186944255 385817829 /nfs/dbraw/zinc/81/78/29/385817829.db2.gz ONBAMXXVLQWGHY-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)N(C)C ZINC000232314891 385854678 /nfs/dbraw/zinc/85/46/78/385854678.db2.gz DOZIZGUOFYMWNG-JTQLQIEISA-N 1 0 220.320 0.936 20 30 BCEDRO C[C@@H](CCC[NH3+])NC(=O)C1(C#N)CCC1 ZINC000602495704 385794580 /nfs/dbraw/zinc/79/45/80/385794580.db2.gz MQTVESNBMMJHJQ-VIFPVBQESA-N 1 0 209.293 0.924 20 30 BCEDRO N#CC1(C(=O)N[C@@H](CC[NH3+])C(F)F)CCC1 ZINC000602495845 385795003 /nfs/dbraw/zinc/79/50/03/385795003.db2.gz NUSPRWNIQIKLAF-ZETCQYMHSA-N 1 0 231.246 0.779 20 30 BCEDRO C[C@H](CCC[NH3+])NC(=O)C1(C#N)CCC1 ZINC000602495701 385795172 /nfs/dbraw/zinc/79/51/72/385795172.db2.gz MQTVESNBMMJHJQ-SECBINFHSA-N 1 0 209.293 0.924 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)SC ZINC000294061975 385796274 /nfs/dbraw/zinc/79/62/74/385796274.db2.gz VDZPGYVEYWEISX-JTQLQIEISA-N 1 0 228.361 0.809 20 30 BCEDRO C[C@@H]1C[C@H](N(C)CC(=O)NCC#N)CC[N@@H+]1C ZINC000123470153 385884530 /nfs/dbraw/zinc/88/45/30/385884530.db2.gz NPQKSVCRUIPLDP-GHMZBOCLSA-N 1 0 238.335 0.041 20 30 BCEDRO CC[C@H](C(=O)N(CC#N)CCOC)[NH+](C)C ZINC000413852532 385901355 /nfs/dbraw/zinc/90/13/55/385901355.db2.gz ANMOGULVOMNLQR-SNVBAGLBSA-N 1 0 227.308 0.325 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@H](C[NH3+])C2)C1=O ZINC000647830501 385871947 /nfs/dbraw/zinc/87/19/47/385871947.db2.gz LZYGGTXMJUOZGG-GHMZBOCLSA-N 1 0 223.320 0.054 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(c2nccc(C#N)n2)C1 ZINC000231903169 385878921 /nfs/dbraw/zinc/87/89/21/385878921.db2.gz GDEJVHQTRFBWEM-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO CCC1(C)C[NH+](C[C@H](O)CN(C)CCC#N)C1 ZINC000414126685 385976016 /nfs/dbraw/zinc/97/60/16/385976016.db2.gz ORJHADYQQBUYCR-GFCCVEGCSA-N 1 0 239.363 0.925 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](NC(C)=O)C1 ZINC000643254192 385994779 /nfs/dbraw/zinc/99/47/79/385994779.db2.gz ACUXYRSJKBBWMD-JQWIXIFHSA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000643253318 385987569 /nfs/dbraw/zinc/98/75/69/385987569.db2.gz JKWIKOQRCHNWBQ-WDEREUQCSA-N 1 0 229.320 0.395 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(C(=O)CC#N)CC1 ZINC000430421336 385930567 /nfs/dbraw/zinc/93/05/67/385930567.db2.gz CESPRDZVBZACBO-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](NC(C)=O)C1 ZINC000643254194 385994036 /nfs/dbraw/zinc/99/40/36/385994036.db2.gz ACUXYRSJKBBWMD-ZYHUDNBSSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[N@H+]1CCCC[C@@H]1COC(=O)NC ZINC000286655865 533152784 /nfs/dbraw/zinc/15/27/84/533152784.db2.gz AGWKENFJYIKHOT-SNVBAGLBSA-N 1 0 210.277 0.830 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1C[C@@H](O)c1cnn(C)c1 ZINC000371458902 533155288 /nfs/dbraw/zinc/15/52/88/533155288.db2.gz MSUNNIAHMVWDHZ-CHWSQXEVSA-N 1 0 233.315 0.941 20 30 BCEDRO CC[C@@H]1CC[N@@H+]1C[C@@H](O)CN(C)CCC#N ZINC000414121712 386014320 /nfs/dbraw/zinc/01/43/20/386014320.db2.gz HRDOEIIDIAGXSR-NEPJUHHUSA-N 1 0 225.336 0.677 20 30 BCEDRO C#CCN1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000375814891 533156525 /nfs/dbraw/zinc/15/65/25/533156525.db2.gz NSSQTANGXMIFIC-VXGBXAGGSA-N 1 0 208.305 0.151 20 30 BCEDRO C[NH+](C)CCNC(=O)c1ccc(C#N)cc1 ZINC000019430188 386115301 /nfs/dbraw/zinc/11/53/01/386115301.db2.gz GIWXKRIHSUWLBF-UHFFFAOYSA-N 1 0 217.272 0.850 20 30 BCEDRO CC(C)(C#N)CCC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000232530755 386116352 /nfs/dbraw/zinc/11/63/52/386116352.db2.gz CKYCLTWZRUJLOW-NXEZZACHSA-N 1 0 212.293 0.354 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1cc(C#N)c[nH]1 ZINC000287198565 386099674 /nfs/dbraw/zinc/09/96/74/386099674.db2.gz MTLLXSXNJKHNAZ-QMMMGPOBSA-N 1 0 220.276 0.566 20 30 BCEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)NCC#N)CC1 ZINC000408345898 386153127 /nfs/dbraw/zinc/15/31/27/386153127.db2.gz FRTZAZAOOMKPOP-LBPRGKRZSA-N 1 0 239.319 0.517 20 30 BCEDRO COCC[N@H+](C)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000345808538 386131397 /nfs/dbraw/zinc/13/13/97/386131397.db2.gz IOJZXJUQZGJVQB-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO CNC(=[NH2+])NCCn1c(C)nc2ccccc21 ZINC000264118346 386208461 /nfs/dbraw/zinc/20/84/61/386208461.db2.gz QHMSTFIPMLRHSS-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]2CCC[N@H+]2C)nn1 ZINC000424909894 386211779 /nfs/dbraw/zinc/21/17/79/386211779.db2.gz WRCSFMNPHRNUKB-LLVKDONJSA-N 1 0 249.318 0.175 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CCc1ccncc1 ZINC000293927422 533162109 /nfs/dbraw/zinc/16/21/09/533162109.db2.gz YKGDXQBCDDCYJR-UHFFFAOYSA-N 1 0 245.326 0.695 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[NH+](C)C ZINC000424929945 386222388 /nfs/dbraw/zinc/22/23/88/386222388.db2.gz CRTMTCQLMPTOCZ-UWVGGRQHSA-N 1 0 212.293 0.255 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@H](C)C#N)C1 ZINC000347031199 386224083 /nfs/dbraw/zinc/22/40/83/386224083.db2.gz DYDARVURFJWKGE-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@H](C#N)NC(=O)CC1CC[NH+](C)CC1 ZINC000347043839 386228386 /nfs/dbraw/zinc/22/83/86/386228386.db2.gz MTWDNLSILIAYMX-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC1([NH+](C)C)CCOCC1 ZINC000347099582 386249795 /nfs/dbraw/zinc/24/97/95/386249795.db2.gz DVLGDJCEQYPAEC-JTQLQIEISA-N 1 0 239.319 0.373 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424968993 386258891 /nfs/dbraw/zinc/25/88/91/386258891.db2.gz YQWIMASECGRUNP-KXNHARMFSA-N 1 0 235.331 0.993 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CO)CC1 ZINC000393960287 386288121 /nfs/dbraw/zinc/28/81/21/386288121.db2.gz NJIPPPAKHFUWQK-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO C=CCC[C@H](O)CN1CCN(C(=O)CC)C1 ZINC000425520297 386321820 /nfs/dbraw/zinc/32/18/20/386321820.db2.gz QEDSAKWVMRWZMH-NSHDSACASA-N 1 0 226.320 0.825 20 30 BCEDRO C=CCC[C@@H](O)CN1CCN(C(=O)CC)C1 ZINC000425520296 386323192 /nfs/dbraw/zinc/32/31/92/386323192.db2.gz QEDSAKWVMRWZMH-LLVKDONJSA-N 1 0 226.320 0.825 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000416305627 386267381 /nfs/dbraw/zinc/26/73/81/386267381.db2.gz BPXNCHBPDDCJOB-MNOVXSKESA-N 1 0 238.331 0.788 20 30 BCEDRO C[C@@H]1CN(CCC(C)(C)C#N)CC[N@@H+]1CCO ZINC000347241908 386276017 /nfs/dbraw/zinc/27/60/17/386276017.db2.gz XRPCKYHFUDVGHC-GFCCVEGCSA-N 1 0 239.363 0.925 20 30 BCEDRO C#C[C@@H](C)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000280356948 386344332 /nfs/dbraw/zinc/34/43/32/386344332.db2.gz VBSHRVUIZYHXRK-KOLCDFICSA-N 1 0 206.289 0.751 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000639238351 386345356 /nfs/dbraw/zinc/34/53/56/386345356.db2.gz KFIAMDLABZKPCE-XQQFMLRXSA-N 1 0 243.347 0.955 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000371511428 533169632 /nfs/dbraw/zinc/16/96/32/533169632.db2.gz XDVHKLLPCNUQIF-MNOVXSKESA-N 1 0 221.304 0.355 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000647888701 386350228 /nfs/dbraw/zinc/35/02/28/386350228.db2.gz MNCOZKHKWKHOPX-GHMZBOCLSA-N 1 0 246.376 0.917 20 30 BCEDRO CC(C)(C#N)CC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347319264 386358523 /nfs/dbraw/zinc/35/85/23/386358523.db2.gz VHFXULYEWGMPRV-QWRGUYRKSA-N 1 0 226.320 0.744 20 30 BCEDRO C#CCNC(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000079264122 533167046 /nfs/dbraw/zinc/16/70/46/533167046.db2.gz ZPNHYLYFFPJZIK-UHFFFAOYSA-N 1 0 235.331 0.889 20 30 BCEDRO N#CCCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000408364472 386362539 /nfs/dbraw/zinc/36/25/39/386362539.db2.gz CGEYRCXULOSPKN-UHFFFAOYSA-N 1 0 236.319 0.637 20 30 BCEDRO CNC(=S)NN=C1C[C@H](C)N(C)C1 ZINC000308254208 386362621 /nfs/dbraw/zinc/36/26/21/386362621.db2.gz HYZISPAJYCYAFL-LURJTMIESA-N 1 0 200.311 0.160 20 30 BCEDRO COC[C@](C)([NH3+])CNc1cnc(C#N)cn1 ZINC000274729792 386332302 /nfs/dbraw/zinc/33/23/02/386332302.db2.gz ZXYNVXPTKHWOHB-SNVBAGLBSA-N 1 0 221.264 0.124 20 30 BCEDRO CC#CC[NH+]1CCC(CNC(C)=O)CC1 ZINC000266007293 386389658 /nfs/dbraw/zinc/38/96/58/386389658.db2.gz QRLXZYLYAJSGPM-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO CC#CCN(C)CC(=O)NCC(F)(F)F ZINC000265982391 386390173 /nfs/dbraw/zinc/39/01/73/386390173.db2.gz FXIZGZFIRZLSKY-UHFFFAOYSA-N 1 0 222.210 0.620 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H](CO)C2)C1=O ZINC000281942839 386394927 /nfs/dbraw/zinc/39/49/27/386394927.db2.gz IZNSRTHZXLZXQL-QWRGUYRKSA-N 1 0 224.304 0.088 20 30 BCEDRO C[N@H+](CCNC(=O)C(C)(C)C#N)C1CC1 ZINC000059490857 386403347 /nfs/dbraw/zinc/40/33/47/386403347.db2.gz ZQZFANXVFDWTCB-UHFFFAOYSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](CCO)[C@@H](C)CC)C1=O ZINC000347476536 386435104 /nfs/dbraw/zinc/43/51/04/386435104.db2.gz OMVMBOCUVUBJEY-NWDGAFQWSA-N 1 0 240.347 0.866 20 30 BCEDRO CC#CC[C@@H](CO)Nc1ncnc(N)c1Cl ZINC000645405491 386467858 /nfs/dbraw/zinc/46/78/58/386467858.db2.gz AZZKWNSSHADVOV-ZETCQYMHSA-N 1 0 240.694 0.898 20 30 BCEDRO C=CCSCCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417341427 386482456 /nfs/dbraw/zinc/48/24/56/386482456.db2.gz LEYHHFJJWFSFDG-VIFPVBQESA-N 1 0 229.349 0.648 20 30 BCEDRO C=C(C)C[N@@H+](CC)CC(=O)N1CCOCC1 ZINC000061758535 386483609 /nfs/dbraw/zinc/48/36/09/386483609.db2.gz RFSKJWWDNRMFEU-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO CC[C@H](C#N)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000519558598 386491119 /nfs/dbraw/zinc/49/11/19/386491119.db2.gz SFAOGFGATKYPPZ-SNVBAGLBSA-N 1 0 249.318 0.477 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H]([C@H](C)[NH3+])C2)C1=O ZINC000519607218 386502811 /nfs/dbraw/zinc/50/28/11/386502811.db2.gz PMDBYYQOTWCZET-SRVKXCTJSA-N 1 0 237.347 0.442 20 30 BCEDRO C=CCCC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000122627462 386511858 /nfs/dbraw/zinc/51/18/58/386511858.db2.gz DITKDYJHUNHIBQ-NXEZZACHSA-N 1 0 212.293 0.527 20 30 BCEDRO CNC(NCc1ccc(OC)nc1OC)=[NH+]C ZINC000290631007 386461864 /nfs/dbraw/zinc/46/18/64/386461864.db2.gz LFPYTRLVAAWENR-UHFFFAOYSA-N 1 0 238.291 0.394 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)cc1 ZINC000572038237 386463224 /nfs/dbraw/zinc/46/32/24/386463224.db2.gz IPMTWRMWMONKJR-KGLIPLIRSA-N 1 0 246.310 0.733 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2cnccn2)CC1 ZINC000048610625 386578913 /nfs/dbraw/zinc/57/89/13/386578913.db2.gz UDCKBDHNQRRTQK-UHFFFAOYSA-N 1 0 244.298 0.760 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000123121271 386532789 /nfs/dbraw/zinc/53/27/89/386532789.db2.gz RCMGVBBMBBVJCR-QWHCGFSZSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000123210084 386546452 /nfs/dbraw/zinc/54/64/52/386546452.db2.gz HZRBSESPFRLCRX-UWVGGRQHSA-N 1 0 239.319 0.871 20 30 BCEDRO C=C(C)COCC[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000163591328 386548781 /nfs/dbraw/zinc/54/87/81/386548781.db2.gz LYLZDPZWENFBMK-STQMWFEESA-N 1 0 242.363 0.936 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)CCCC(C)(C)C#N ZINC000336644887 386597218 /nfs/dbraw/zinc/59/72/18/386597218.db2.gz CPHLOYDRGUYZON-NSHDSACASA-N 1 0 228.336 0.991 20 30 BCEDRO C=CCN1CC[C@@H](N[C@](C)(C[NH3+])C2CC2)C1=O ZINC000519827866 386565040 /nfs/dbraw/zinc/56/50/40/386565040.db2.gz VFVOWUCYDPJAOH-DGCLKSJQSA-N 1 0 237.347 0.490 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000644947766 386633409 /nfs/dbraw/zinc/63/34/09/386633409.db2.gz AUGUCNAFPBJCGR-LBPRGKRZSA-N 1 0 234.303 0.565 20 30 BCEDRO CN1C[C@@H](C(=O)NCC[NH+]2CCC2)CC1=O ZINC000328859688 386636062 /nfs/dbraw/zinc/63/60/62/386636062.db2.gz YOYICNJGGCBIGI-VIFPVBQESA-N 1 0 225.292 0.127 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CO)C1 ZINC000048776218 386599919 /nfs/dbraw/zinc/59/99/19/386599919.db2.gz FUGDTNOOFBIZME-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](c2nnc[nH]2)C1 ZINC000425550823 386603650 /nfs/dbraw/zinc/60/36/50/386603650.db2.gz PKKNCEGQDDMRTQ-WDEREUQCSA-N 1 0 236.319 0.921 20 30 BCEDRO N#CCCC1CCN(C(=O)NC2C[NH2+]C2)CC1 ZINC000335488631 386605529 /nfs/dbraw/zinc/60/55/29/386605529.db2.gz XWYIAYBCFOAZMM-UHFFFAOYSA-N 1 0 236.319 0.684 20 30 BCEDRO O=C(NCC[NH+]1CCC1)NCC1CCOCC1 ZINC000328711853 386612490 /nfs/dbraw/zinc/61/24/90/386612490.db2.gz NGTBYKUBFOGKGX-UHFFFAOYSA-N 1 0 241.335 0.622 20 30 BCEDRO C=CCOCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000520246495 386613954 /nfs/dbraw/zinc/61/39/54/386613954.db2.gz NXHZAXAFMGMORJ-UHFFFAOYSA-N 1 0 237.303 0.293 20 30 BCEDRO C[C@H](NC(=O)NCC[NH+]1CCC1)[C@H]1CCOC1 ZINC000328699627 386613996 /nfs/dbraw/zinc/61/39/96/386613996.db2.gz IGQGMGJJAMOSJE-QWRGUYRKSA-N 1 0 241.335 0.621 20 30 BCEDRO CC[N@H+](CC(=O)N[C@H](C)CC#N)C1CC1 ZINC000179163803 386614378 /nfs/dbraw/zinc/61/43/78/386614378.db2.gz ANFWMGBAJSAHLM-SECBINFHSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1CCO ZINC000049801287 386669260 /nfs/dbraw/zinc/66/92/60/386669260.db2.gz AGALGORLCOFZTQ-NSHDSACASA-N 1 0 226.320 0.526 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000330363663 386675393 /nfs/dbraw/zinc/67/53/93/386675393.db2.gz OKFZLQCBHQTCHI-JTQLQIEISA-N 1 0 230.333 0.153 20 30 BCEDRO C=CCNC(=O)NC[C@H]1CCC[N@H+]1CCCO ZINC000457409292 386709314 /nfs/dbraw/zinc/70/93/14/386709314.db2.gz NOVQZLMTFMXEKK-LLVKDONJSA-N 1 0 241.335 0.318 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@@H]1CO ZINC000050114627 386683253 /nfs/dbraw/zinc/68/32/53/386683253.db2.gz OGANYEMJUFLWLY-GFCCVEGCSA-N 1 0 238.331 0.644 20 30 BCEDRO COC[C@@H]([NH3+])C(=O)N1CCC(CCC#N)CC1 ZINC000520585421 386698811 /nfs/dbraw/zinc/69/88/11/386698811.db2.gz PHKHUPFMRHMZFE-LLVKDONJSA-N 1 0 239.319 0.502 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000645122472 386732179 /nfs/dbraw/zinc/73/21/79/386732179.db2.gz NNHRVAOFRMEKLI-LLVKDONJSA-N 1 0 222.292 0.728 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1cn(C)nn1 ZINC000321183984 386714739 /nfs/dbraw/zinc/71/47/39/386714739.db2.gz ZZDSLOPANYBAIX-SECBINFHSA-N 1 0 210.281 0.232 20 30 BCEDRO C[C@H](NC(=O)N(C)CC[NH+](C)C)c1cn[nH]c1 ZINC000330461578 386722122 /nfs/dbraw/zinc/72/21/22/386722122.db2.gz AEIHRHSYRSTBNG-VIFPVBQESA-N 1 0 239.323 0.878 20 30 BCEDRO C[C@@H](CO)CNC(=O)NCc1nccn1C ZINC000330516908 386748635 /nfs/dbraw/zinc/74/86/35/386748635.db2.gz FYYHJNOMOXUMRD-MRVPVSSYSA-N 1 0 226.280 0.052 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1CF ZINC000292957184 386753964 /nfs/dbraw/zinc/75/39/64/386753964.db2.gz FKQBTMZVUFBSEO-SNVBAGLBSA-N 1 0 212.268 0.560 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCN1CC=CCC1 ZINC000279987434 386766251 /nfs/dbraw/zinc/76/62/51/386766251.db2.gz LIKAJSLLSBRTER-LLVKDONJSA-N 1 0 240.351 0.188 20 30 BCEDRO C=CCOCC[NH+]1CCC(NC(N)=O)CC1 ZINC000330450105 386743303 /nfs/dbraw/zinc/74/33/03/386743303.db2.gz ILTPJSPQSJCIDJ-UHFFFAOYSA-N 1 0 227.308 0.736 20 30 BCEDRO N#CCC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000408443418 386771238 /nfs/dbraw/zinc/77/12/38/386771238.db2.gz PKNBIPIBFXNALW-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCCOCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417957764 386774205 /nfs/dbraw/zinc/77/42/05/386774205.db2.gz JPRSPGALNJXQJI-LLVKDONJSA-N 1 0 241.335 0.712 20 30 BCEDRO C[NH+](C)CCNC(=O)c1cccc(C#N)c1 ZINC000019483863 386818056 /nfs/dbraw/zinc/81/80/56/386818056.db2.gz XNGJYIYEHUJYSK-UHFFFAOYSA-N 1 0 217.272 0.850 20 30 BCEDRO CC[C@@H]1C[N@H+](CC)CCN1C(=O)CC#N ZINC000334773927 386824023 /nfs/dbraw/zinc/82/40/23/386824023.db2.gz WJCFBTICKUQDOC-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO CCC[NH2+]CCNC(=O)NCC(C)(C)C#N ZINC000417995026 386811583 /nfs/dbraw/zinc/81/15/83/386811583.db2.gz PJAVOOCEFVFXAU-UHFFFAOYSA-N 1 0 226.324 0.835 20 30 BCEDRO C=C(C)COCCNC(=O)NCC[NH2+]CC ZINC000417880943 386844001 /nfs/dbraw/zinc/84/40/01/386844001.db2.gz DIOGGWMGJXGSIL-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C[N@H+](CC(=O)NCCCC#N)[C@H]1CCSC1 ZINC000330810491 386894153 /nfs/dbraw/zinc/89/41/53/386894153.db2.gz BIYIVELWHFFHGG-JTQLQIEISA-N 1 0 241.360 0.844 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CC)C1 ZINC000125650766 386874776 /nfs/dbraw/zinc/87/47/76/386874776.db2.gz LIHAJKNHTOTHJB-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000335769827 386915113 /nfs/dbraw/zinc/91/51/13/386915113.db2.gz SGBFRNYIMWWJPQ-QWRGUYRKSA-N 1 0 244.360 0.576 20 30 BCEDRO C=C(C)COCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417884700 386897356 /nfs/dbraw/zinc/89/73/56/386897356.db2.gz IGDKYMLTKZMNED-SNVBAGLBSA-N 1 0 229.324 0.568 20 30 BCEDRO COC(=O)COC[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000425357190 386968001 /nfs/dbraw/zinc/96/80/01/386968001.db2.gz RJGFIIVXWYRDKW-GARJFASQSA-N 1 0 240.303 0.846 20 30 BCEDRO C=C(C)COCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000417894321 386993035 /nfs/dbraw/zinc/99/30/35/386993035.db2.gz SRBGALUPMVNLCG-LLVKDONJSA-N 1 0 241.335 0.712 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@H](C)C[NH3+] ZINC000417894714 386996798 /nfs/dbraw/zinc/99/67/98/386996798.db2.gz TXPLSSFZNNIBMS-SECBINFHSA-N 1 0 215.297 0.226 20 30 BCEDRO C[C@@H](CNC(=O)Nc1ccncn1)[NH+](C)C ZINC000331311668 387002001 /nfs/dbraw/zinc/00/20/01/387002001.db2.gz ZVXHQKJTTFLMPP-QMMMGPOBSA-N 1 0 223.280 0.753 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000417895309 387006578 /nfs/dbraw/zinc/00/65/78/387006578.db2.gz URPQTYGUJWWXKE-JTQLQIEISA-N 1 0 229.324 0.473 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000334953865 387032191 /nfs/dbraw/zinc/03/21/91/387032191.db2.gz VXBLYTPXJVXUDQ-YUMQZZPRSA-N 1 0 233.262 0.857 20 30 BCEDRO C=CCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000334954317 387032920 /nfs/dbraw/zinc/03/29/20/387032920.db2.gz ZVUREBQFBCPIRJ-VHSXEESVSA-N 1 0 211.309 0.812 20 30 BCEDRO C=CCCCCNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418031142 387043808 /nfs/dbraw/zinc/04/38/08/387043808.db2.gz KNKPRAHOGWHZLS-NSHDSACASA-N 1 0 241.335 0.712 20 30 BCEDRO CC#CCCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418033782 387054901 /nfs/dbraw/zinc/05/49/01/387054901.db2.gz SASOTQPPMAAZQU-QMMMGPOBSA-N 1 0 233.262 0.682 20 30 BCEDRO CC#CCCNC(=O)NCC1=CC[NH2+]CC1 ZINC000418034254 387055533 /nfs/dbraw/zinc/05/55/33/387055533.db2.gz SLOJKXSUFVWSMR-UHFFFAOYSA-N 1 0 221.304 0.619 20 30 BCEDRO CCNC(=[NH2+])NCCCNC(=O)OC(C)(C)C ZINC000303777897 387019377 /nfs/dbraw/zinc/01/93/77/387019377.db2.gz JELCOKAIFMQEPB-UHFFFAOYSA-N 1 0 244.339 0.825 20 30 BCEDRO CC#CCCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000418024215 387022524 /nfs/dbraw/zinc/02/25/24/387022524.db2.gz DCBWLKASOPOWDI-QWRGUYRKSA-N 1 0 223.320 0.779 20 30 BCEDRO CCN1C[C@@H](Nc2cc(C)ncc2C#N)CC1=O ZINC000399580276 387026144 /nfs/dbraw/zinc/02/61/44/387026144.db2.gz NGQILJZKJVLZRZ-NSHDSACASA-N 1 0 244.298 0.716 20 30 BCEDRO C[C@@H]1CCC[C@@H](C)[NH+]1CC(=O)NCC#N ZINC000066531210 387086924 /nfs/dbraw/zinc/08/69/24/387086924.db2.gz UBUKNDKGQUIDLF-NXEZZACHSA-N 1 0 209.293 0.889 20 30 BCEDRO CCCC[N@H+](CCOC)CC(=O)NCC#N ZINC000068852507 387108865 /nfs/dbraw/zinc/10/88/65/387108865.db2.gz RCTGUFAMXGUBBK-UHFFFAOYSA-N 1 0 227.308 0.375 20 30 BCEDRO C=CCCC[C@@H](C)[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000359515287 387116087 /nfs/dbraw/zinc/11/60/87/387116087.db2.gz NFIFANXYIVPYQA-GHMZBOCLSA-N 1 0 226.320 0.917 20 30 BCEDRO Cc1onc(CC(=O)N2CC([NH+](C)C)C2)c1C#N ZINC000354629183 387126518 /nfs/dbraw/zinc/12/65/18/387126518.db2.gz LINGLJFUZYDNDM-UHFFFAOYSA-N 1 0 248.286 0.170 20 30 BCEDRO CC#CCCNC(=O)NC[C@H](C)C[NH2+]C ZINC000418038624 387067891 /nfs/dbraw/zinc/06/78/91/387067891.db2.gz YWEWAUHMKTWOOH-SNVBAGLBSA-N 1 0 211.309 0.555 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2C[NH2+]CC[C@H]2C)nn1 ZINC000648111535 387143524 /nfs/dbraw/zinc/14/35/24/387143524.db2.gz XEGLDBYJXIMLLT-NXEZZACHSA-N 1 0 249.318 0.192 20 30 BCEDRO C=CC[C@H](CC)NC(=O)NCC1C[NH2+]C1 ZINC000418149697 387179092 /nfs/dbraw/zinc/17/90/92/387179092.db2.gz PVWGVMHKNKEPRL-JTQLQIEISA-N 1 0 211.309 0.860 20 30 BCEDRO C[NH+](C)CCOCCNc1cnc(C#N)cn1 ZINC000228861165 387135551 /nfs/dbraw/zinc/13/55/51/387135551.db2.gz PBPRLHUCVBBTCW-UHFFFAOYSA-N 1 0 235.291 0.338 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2C[NH2+]CC[C@@H]2C)nn1 ZINC000648111536 387136813 /nfs/dbraw/zinc/13/68/13/387136813.db2.gz XEGLDBYJXIMLLT-UWVGGRQHSA-N 1 0 249.318 0.192 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1CC1 ZINC000571993704 387216430 /nfs/dbraw/zinc/21/64/30/387216430.db2.gz GYIVWHFXMVFITL-NSHDSACASA-N 1 0 211.309 0.192 20 30 BCEDRO C=C(CNC(=O)NCC[NH3+])c1ccccc1 ZINC000418213747 387223400 /nfs/dbraw/zinc/22/34/00/387223400.db2.gz WDPYYTVHPWYCBG-UHFFFAOYSA-N 1 0 219.288 0.958 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000336484390 387312656 /nfs/dbraw/zinc/31/26/56/387312656.db2.gz FKSZPMYUEFAZBV-RYUDHWBXSA-N 1 0 248.330 0.802 20 30 BCEDRO C[C@@H]1CCCC[N@@H+]1CCNC(=O)CC#N ZINC000130419644 387257199 /nfs/dbraw/zinc/25/71/99/387257199.db2.gz JIVYRGDOPCNNTQ-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1ccnc(OC)n1 ZINC000321514610 387267633 /nfs/dbraw/zinc/26/76/33/387267633.db2.gz WMCQDWFKIZIOCC-LLVKDONJSA-N 1 0 237.303 0.902 20 30 BCEDRO C=CCCn1cc(C(=O)N2CC([NH+](C)C)C2)nn1 ZINC000424750110 387274989 /nfs/dbraw/zinc/27/49/89/387274989.db2.gz RWBRXWAVNBMNNS-UHFFFAOYSA-N 1 0 249.318 0.240 20 30 BCEDRO C[C@@H](CCC#N)[NH2+][C@H](CO)c1cnn(C)c1 ZINC000514733046 387282965 /nfs/dbraw/zinc/28/29/65/387282965.db2.gz HNIFHDUGDMVIOE-GXSJLCMTSA-N 1 0 222.292 0.735 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)[C@H](C)CCC#N ZINC000514864645 387299255 /nfs/dbraw/zinc/29/92/55/387299255.db2.gz JHBADHGSXZCWQQ-VHSXEESVSA-N 1 0 211.309 0.993 20 30 BCEDRO Cn1cc(C[N@H+](CCO)C2CC2)cc1C#N ZINC000191230705 387356483 /nfs/dbraw/zinc/35/64/83/387356483.db2.gz RZWMGWPVUVFJCQ-UHFFFAOYSA-N 1 0 219.288 0.853 20 30 BCEDRO N#CCC1(C[N@H+]2CCOC[C@@H](O)C2)CC1 ZINC000399890055 387331454 /nfs/dbraw/zinc/33/14/54/387331454.db2.gz IZSNAESZADHPJD-JTQLQIEISA-N 1 0 210.277 0.373 20 30 BCEDRO COCCO[C@H]1COCC[C@H]1[NH2+]CCC#N ZINC000515166851 387341967 /nfs/dbraw/zinc/34/19/67/387341967.db2.gz LEBDEALDMPNVSI-MNOVXSKESA-N 1 0 228.292 0.310 20 30 BCEDRO C#CC[NH2+][C@H]1CCO[C@@H]1c1cnn(C)c1C ZINC000393147777 387346263 /nfs/dbraw/zinc/34/62/63/387346263.db2.gz IZPOXSQHHQAIAO-NWDGAFQWSA-N 1 0 219.288 0.781 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)nn1 ZINC000648122478 387346671 /nfs/dbraw/zinc/34/66/71/387346671.db2.gz YVQGWKZNDLLIOS-ZJUUUORDSA-N 1 0 249.318 0.464 20 30 BCEDRO CC[N@H+](CCO)Cc1cc(C#N)n(C)c1 ZINC000191163450 387350868 /nfs/dbraw/zinc/35/08/68/387350868.db2.gz MJYVRHWDTNBFRX-UHFFFAOYSA-N 1 0 207.277 0.711 20 30 BCEDRO C#CC[NH+]1CCC([C@@H](O)c2nccn2C)CC1 ZINC000269736232 387423773 /nfs/dbraw/zinc/42/37/73/387423773.db2.gz ZWIPEFSANBMVFZ-GFCCVEGCSA-N 1 0 233.315 0.799 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CCC[C@H]1C[NH3+] ZINC000418399246 387424994 /nfs/dbraw/zinc/42/49/94/387424994.db2.gz DPKYLSGZTMFREV-VHSXEESVSA-N 1 0 209.293 0.436 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCC(=O)NC(=O)NC ZINC000515497250 387390168 /nfs/dbraw/zinc/39/01/68/387390168.db2.gz VOUFGRCDRMGCIT-QMMMGPOBSA-N 1 0 226.280 0.114 20 30 BCEDRO C#CCCN1CCN(C(=O)/C=C/C[NH+](C)C)CC1 ZINC000265686454 387397519 /nfs/dbraw/zinc/39/75/19/387397519.db2.gz XICLSBNPLONDJF-VOTSOKGWSA-N 1 0 249.358 0.272 20 30 BCEDRO CN(C[C@H](O)C[NH2+]CC(C)(C)CC#N)C1CC1 ZINC000515637587 387404614 /nfs/dbraw/zinc/40/46/14/387404614.db2.gz AQFFAKGVBQUAPK-GFCCVEGCSA-N 1 0 239.363 0.971 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)[C@H](C)C1 ZINC000267625697 387410340 /nfs/dbraw/zinc/41/03/40/387410340.db2.gz FPXJMSPVCVVBMH-AXFHLTTASA-N 1 0 208.305 0.712 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cnn(CCOC)c1 ZINC000273517040 387460816 /nfs/dbraw/zinc/46/08/16/387460816.db2.gz RXOWZQGYRZLVHT-LBPRGKRZSA-N 1 0 239.319 0.556 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cnn(CCOC)c1 ZINC000273517039 387461011 /nfs/dbraw/zinc/46/10/11/387461011.db2.gz RXOWZQGYRZLVHT-GFCCVEGCSA-N 1 0 239.319 0.556 20 30 BCEDRO C[C@@H](O)C[N@@H+]1CC[C@@H](Oc2ccc(C#N)cn2)C1 ZINC000292379649 387493783 /nfs/dbraw/zinc/49/37/83/387493783.db2.gz ZCTMNINRJJIOQK-ZYHUDNBSSA-N 1 0 247.298 0.787 20 30 BCEDRO CC1(C)CN(C(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC000424095871 387499888 /nfs/dbraw/zinc/49/98/88/387499888.db2.gz OHYQTQWZRYLSDC-JTQLQIEISA-N 1 0 239.319 0.645 20 30 BCEDRO C[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424098327 387510911 /nfs/dbraw/zinc/51/09/11/387510911.db2.gz CPBKVRHEISWHRO-UWVGGRQHSA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@H](C[NH+](C)C)NC(=O)c1ccc(C#N)c(O)c1 ZINC000346229244 387517586 /nfs/dbraw/zinc/51/75/86/387517586.db2.gz RZFJBEXWOFRNCD-SECBINFHSA-N 1 0 247.298 0.944 20 30 BCEDRO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)[C@H](C)CO1 ZINC000424099276 387520080 /nfs/dbraw/zinc/52/00/80/387520080.db2.gz VBMQSPRHZKHMRD-GMTAPVOTSA-N 1 0 239.319 0.643 20 30 BCEDRO CO[C@@H]1CCCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424101711 387527825 /nfs/dbraw/zinc/52/78/25/387527825.db2.gz ZDYVNSCINYTXAM-GHMZBOCLSA-N 1 0 239.319 0.645 20 30 BCEDRO CO[C@@H]1CCCN(C(=O)[C@@H]([NH3+])CCCC#N)C1 ZINC000424101712 387527919 /nfs/dbraw/zinc/52/79/19/387527919.db2.gz ZDYVNSCINYTXAM-MNOVXSKESA-N 1 0 239.319 0.645 20 30 BCEDRO C=C[C@@H](C)NC(=O)C1C[C@@H]2C[NH2+]C[C@H](C1)C2=O ZINC000648084712 387532437 /nfs/dbraw/zinc/53/24/37/387532437.db2.gz QCRWDQOIXIEAOG-UBJLHIIHSA-N 1 0 236.315 0.492 20 30 BCEDRO CC#CC(=O)N(CCOC)CC[NH+](C)C ZINC000277322843 387533064 /nfs/dbraw/zinc/53/30/64/387533064.db2.gz CHBJMYHHSZCCDX-UHFFFAOYSA-N 1 0 212.293 0.046 20 30 BCEDRO C=C[C@@H](C)NC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000648084690 387533359 /nfs/dbraw/zinc/53/33/59/387533359.db2.gz MPGQGRSOPGQBGP-LLVKDONJSA-N 1 0 248.330 0.653 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423978034 387463012 /nfs/dbraw/zinc/46/30/12/387463012.db2.gz YMFDEMCKVXOTDV-DCAQKATOSA-N 1 0 226.320 0.916 20 30 BCEDRO C=CCCn1cc(C(=O)N2CC[C@@H]([NH2+]C)C2)nn1 ZINC000424058590 387471994 /nfs/dbraw/zinc/47/19/94/387471994.db2.gz LQRYSLFGLUIVDC-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H]1CC[NH2+]C1 ZINC000424064533 387473670 /nfs/dbraw/zinc/47/36/70/387473670.db2.gz ZUJNEMLIICEFCC-MXWKQRLJSA-N 1 0 224.304 0.446 20 30 BCEDRO C[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC000424059962 387474564 /nfs/dbraw/zinc/47/45/64/387474564.db2.gz BZBBTVQRZSHSBG-ZJUUUORDSA-N 1 0 225.292 0.255 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000424071708 387476510 /nfs/dbraw/zinc/47/65/10/387476510.db2.gz BWYWSJMXMQJLFK-WOPDTQHZSA-N 1 0 238.331 0.821 20 30 BCEDRO C=CCCn1cc(C(=O)NC[C@H]2CCC[NH2+]2)nn1 ZINC000424079289 387481179 /nfs/dbraw/zinc/48/11/79/387481179.db2.gz RAZYRYGTVOXEPR-SNVBAGLBSA-N 1 0 249.318 0.336 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCSCC1 ZINC000424084284 387484414 /nfs/dbraw/zinc/48/44/14/387484414.db2.gz NZRWPYYFOKGDFJ-VIFPVBQESA-N 1 0 227.333 0.583 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1ccc(C#N)cn1 ZINC000104217997 387486941 /nfs/dbraw/zinc/48/69/41/387486941.db2.gz DUWVFPFXHPEIHB-UHFFFAOYSA-N 1 0 232.287 0.635 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NCC1(C#N)CC1 ZINC000514704763 387593930 /nfs/dbraw/zinc/59/39/30/387593930.db2.gz JUSREKKIJUEGHS-SNVBAGLBSA-N 1 0 236.319 0.684 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000527531878 387604384 /nfs/dbraw/zinc/60/43/84/387604384.db2.gz FRISWVLTDPSFET-UHIISALHSA-N 1 0 211.330 0.995 20 30 BCEDRO CNC(=O)[C@@]1(C)CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000430270569 387604626 /nfs/dbraw/zinc/60/46/26/387604626.db2.gz RYSGNHHXTOCNGA-AAEUAGOBSA-N 1 0 248.330 0.888 20 30 BCEDRO CC[N@H+](C)CCNC(=O)NCC1(CC#N)CC1 ZINC000430451510 387618804 /nfs/dbraw/zinc/61/88/04/387618804.db2.gz STEBAWXHXKDNSA-UHFFFAOYSA-N 1 0 238.335 0.931 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422041655 387547206 /nfs/dbraw/zinc/54/72/06/387547206.db2.gz URCZXPZIPHZHGH-AAEUAGOBSA-N 1 0 240.347 0.866 20 30 BCEDRO Cc1n[nH]c(C)c1C[NH2+]CCn1cnc(C#N)n1 ZINC000353044165 387548400 /nfs/dbraw/zinc/54/84/00/387548400.db2.gz DUSDLOXENUZIBW-UHFFFAOYSA-N 1 0 245.290 0.280 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278916518 387558615 /nfs/dbraw/zinc/55/86/15/387558615.db2.gz RBHVSCSODTWUFD-GFCCVEGCSA-N 1 0 206.289 0.612 20 30 BCEDRO C#CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362075064 387568748 /nfs/dbraw/zinc/56/87/48/387568748.db2.gz CGPKROBTJWRGMI-KGLIPLIRSA-N 1 0 235.375 0.577 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)NCCC1CC1 ZINC000424120376 387577942 /nfs/dbraw/zinc/57/79/42/387577942.db2.gz GYULVNSGPMJEQX-SNVBAGLBSA-N 1 0 209.293 0.924 20 30 BCEDRO C[C@H](Cn1cccn1)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424137486 387668029 /nfs/dbraw/zinc/66/80/29/387668029.db2.gz ASWWEPYXVSIXLW-GHMZBOCLSA-N 1 0 249.318 0.409 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC1C[NH2+]C1 ZINC000424138480 387671796 /nfs/dbraw/zinc/67/17/96/387671796.db2.gz CBYMMHKKZPSZER-MNOVXSKESA-N 1 0 224.304 0.303 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccncc1 ZINC000424139968 387690375 /nfs/dbraw/zinc/69/03/75/387690375.db2.gz RZUVBRFPYCMFHI-JTQLQIEISA-N 1 0 218.260 0.463 20 30 BCEDRO C=C(C)CC[N@H+]1CCN(CCO)C[C@H]1C ZINC000452127716 387748176 /nfs/dbraw/zinc/74/81/76/387748176.db2.gz LJKHEABZALXJKZ-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H](C)C[NH+](C)C ZINC000452008185 387698460 /nfs/dbraw/zinc/69/84/60/387698460.db2.gz SHNNEHRRFXJWDN-TUAOUCFPSA-N 1 0 240.347 0.891 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000440837881 387705238 /nfs/dbraw/zinc/70/52/38/387705238.db2.gz LNAUVURNQPSKDH-NSHDSACASA-N 1 0 246.376 0.872 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000440893563 387708349 /nfs/dbraw/zinc/70/83/49/387708349.db2.gz UXHNMXFZYGFUHK-UHFFFAOYSA-N 1 0 240.347 0.964 20 30 BCEDRO CC#CCNC(=O)NCc1cnccc1OC ZINC000431454990 387710014 /nfs/dbraw/zinc/71/00/14/387710014.db2.gz AHVJPOPKUDSLID-UHFFFAOYSA-N 1 0 233.271 0.913 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000440935572 387713276 /nfs/dbraw/zinc/71/32/76/387713276.db2.gz WFDCFRPKYNNIRI-WDEREUQCSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@@H](C)C[C@H](O)C2)C1=O ZINC000452072538 387725696 /nfs/dbraw/zinc/72/56/96/387725696.db2.gz VFQWCVSSNBIRCR-SRVKXCTJSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CC[C@H](C)[NH2+][C@H]1CCN[C@H]1C(=O)OCC ZINC000422984854 387796389 /nfs/dbraw/zinc/79/63/89/387796389.db2.gz ZKWCFXXZDHIXQB-GARJFASQSA-N 1 0 226.320 0.834 20 30 BCEDRO CC[NH2+]CCNC(=O)NCC(C)(C)CC#N ZINC000418300193 387804980 /nfs/dbraw/zinc/80/49/80/387804980.db2.gz XEFVFSNTUDWOGQ-UHFFFAOYSA-N 1 0 226.324 0.835 20 30 BCEDRO C[C@H]([NH2+]Cc1cc(C#N)n(C)c1)C(=O)N(C)C ZINC000191733909 387823253 /nfs/dbraw/zinc/82/32/53/387823253.db2.gz JXDZMRDEVVEVPA-VIFPVBQESA-N 1 0 234.303 0.463 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@H]2CC[C@@H](CO)O2)cc1C#N ZINC000353718970 387831214 /nfs/dbraw/zinc/83/12/14/387831214.db2.gz ZZDOSUREEDPMKX-STQMWFEESA-N 1 0 249.314 0.526 20 30 BCEDRO COC[C@@H](NC(=O)[C@H]([NH3+])CCCC#N)C1CC1 ZINC000424158120 387833954 /nfs/dbraw/zinc/83/39/54/387833954.db2.gz SGNMUIBVIYXDRE-GHMZBOCLSA-N 1 0 239.319 0.549 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]Cc2ccc(C(N)=O)nc2)C1 ZINC000442768041 387837265 /nfs/dbraw/zinc/83/72/65/387837265.db2.gz NPFMCEBXDPJDJT-MWLCHTKSSA-N 1 0 244.298 0.962 20 30 BCEDRO C=CCCn1cc(C(=O)NC[C@H]([NH3+])C2CC2)nn1 ZINC000424161407 387840885 /nfs/dbraw/zinc/84/08/85/387840885.db2.gz YIBJDODOXIQXPB-JTQLQIEISA-N 1 0 249.318 0.321 20 30 BCEDRO C[C@@H]1OCCN(C(=O)[C@H]([NH3+])CCCC#N)[C@H]1C ZINC000424162091 387844701 /nfs/dbraw/zinc/84/47/01/387844701.db2.gz ZFTQSBCPBYOZHE-GARJFASQSA-N 1 0 239.319 0.643 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]([NH3+])CC ZINC000424162281 387844981 /nfs/dbraw/zinc/84/49/81/387844981.db2.gz CNFXVPTUAZJCTA-MXWKQRLJSA-N 1 0 226.320 0.821 20 30 BCEDRO CC[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424164528 387848509 /nfs/dbraw/zinc/84/85/09/387848509.db2.gz ZNMHGOLWBWLGCM-JTQLQIEISA-N 1 0 226.324 0.075 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000442848965 387849920 /nfs/dbraw/zinc/84/99/20/387849920.db2.gz ZTJDMWCOZFPWKK-MNOVXSKESA-N 1 0 237.303 0.127 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)[NH2+]C ZINC000424170537 387862058 /nfs/dbraw/zinc/86/20/58/387862058.db2.gz KFHRFZJULDDYRU-MXWKQRLJSA-N 1 0 226.320 0.692 20 30 BCEDRO Cn1nccc1CNC[C@@H](C#N)CCC#N ZINC000582660250 387868460 /nfs/dbraw/zinc/86/84/60/387868460.db2.gz CLCCCZRNIJIZRU-SNVBAGLBSA-N 1 0 217.276 0.953 20 30 BCEDRO C=CCCC(=O)NC[C@H]1CCCC[N@H+]1CCO ZINC000452386251 387813742 /nfs/dbraw/zinc/81/37/42/387813742.db2.gz FDRCNPIRZFOLTE-GFCCVEGCSA-N 1 0 240.347 0.916 20 30 BCEDRO CO[C@H](C)[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424189372 387911033 /nfs/dbraw/zinc/91/10/33/387911033.db2.gz NCEZFZGWJQZKKH-AEJSXWLSSA-N 1 0 227.308 0.547 20 30 BCEDRO CO[C@@H](C)[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424189376 387911556 /nfs/dbraw/zinc/91/15/56/387911556.db2.gz NCEZFZGWJQZKKH-LPEHRKFASA-N 1 0 227.308 0.547 20 30 BCEDRO CO[C@@H](C)[C@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424189374 387911568 /nfs/dbraw/zinc/91/15/68/387911568.db2.gz NCEZFZGWJQZKKH-GUBZILKMSA-N 1 0 227.308 0.547 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[NH2+]C1 ZINC000424208241 387929865 /nfs/dbraw/zinc/92/98/65/387929865.db2.gz JWIQESBDLGCXOL-DCAQKATOSA-N 1 0 224.304 0.303 20 30 BCEDRO C[NH2+]C[C@@H](C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424213789 387932654 /nfs/dbraw/zinc/93/26/54/387932654.db2.gz AVXJLXQUVXOJQC-KXUCPTDWSA-N 1 0 209.293 0.650 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000424217029 387934955 /nfs/dbraw/zinc/93/49/55/387934955.db2.gz KDHSGDJTLXWLKP-SBFPOUOMSA-N 1 0 233.315 0.794 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000178752291 387925727 /nfs/dbraw/zinc/92/57/27/387925727.db2.gz BLZXDZISJVXRIR-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000424202880 387928541 /nfs/dbraw/zinc/92/85/41/387928541.db2.gz JVTURLZLMJKXPX-VLEAKVRGSA-N 1 0 221.304 0.922 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC[NH+]1CCCC1 ZINC000448600378 387928763 /nfs/dbraw/zinc/92/87/63/387928763.db2.gz GKHHCZVFBKRSAJ-LBPRGKRZSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C[N@@H+](C)CCC ZINC000452921846 387940068 /nfs/dbraw/zinc/94/00/68/387940068.db2.gz JIDZUPNVPFGIEC-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000245384000 387942578 /nfs/dbraw/zinc/94/25/78/387942578.db2.gz SVIQARWVTKJAOQ-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCNC(=O)[C@H](C)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000424277407 387950228 /nfs/dbraw/zinc/95/02/28/387950228.db2.gz AIEYGRWCGJUZFB-HBNTYKKESA-N 1 0 225.336 0.537 20 30 BCEDRO C=CC1CCN(C(=O)[C@@H]([NH3+])CC(=O)OC)CC1 ZINC000423175672 387962295 /nfs/dbraw/zinc/96/22/95/387962295.db2.gz FJKHEPMAIAOBIV-JTQLQIEISA-N 1 0 240.303 0.301 20 30 BCEDRO CN(CCOCCC#N)CC[N@H+](C)C1CC1 ZINC000339093747 135058617 /nfs/dbraw/zinc/05/86/17/135058617.db2.gz FMKLCRLASICRJE-UHFFFAOYSA-N 1 0 225.336 0.943 20 30 BCEDRO C[NH2+]CCN(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424465632 388012274 /nfs/dbraw/zinc/01/22/74/388012274.db2.gz JYKCTWREJYYIAK-VHSXEESVSA-N 1 0 224.308 0.539 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H]([NH3+])CC ZINC000424468698 388012730 /nfs/dbraw/zinc/01/27/30/388012730.db2.gz OIROROIASSNMTK-DCAQKATOSA-N 1 0 241.335 0.614 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000424463634 388012902 /nfs/dbraw/zinc/01/29/02/388012902.db2.gz HBIBHMXWPVPFHT-NAKRPEOUSA-N 1 0 241.335 0.612 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424472927 388015173 /nfs/dbraw/zinc/01/51/73/388015173.db2.gz VUANAKRRJQTXBX-LPEHRKFASA-N 1 0 224.308 0.715 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424472974 388015874 /nfs/dbraw/zinc/01/58/74/388015874.db2.gz GKKHGMHRYFXXGT-KXUCPTDWSA-N 1 0 224.308 0.573 20 30 BCEDRO C=CCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000108537059 388034246 /nfs/dbraw/zinc/03/42/46/388034246.db2.gz RLEOUDGKKCPNHV-JTQLQIEISA-N 1 0 211.309 0.813 20 30 BCEDRO C[NH2+]CCCNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424482635 388040166 /nfs/dbraw/zinc/04/01/66/388040166.db2.gz UTOBQVQXSJTAKQ-VHSXEESVSA-N 1 0 224.308 0.587 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)C2(C#N)CCC2)C1 ZINC000083797888 388063679 /nfs/dbraw/zinc/06/36/79/388063679.db2.gz VQJXNKJDMQLALH-SNVBAGLBSA-N 1 0 221.304 0.748 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(CCO)CC1 ZINC000401156851 388095379 /nfs/dbraw/zinc/09/53/79/388095379.db2.gz RMCHUIYSBBDBPL-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](C)[NH+](C)C ZINC000455399911 388158677 /nfs/dbraw/zinc/15/86/77/388158677.db2.gz FUGAAZICTCOJDQ-AXFHLTTASA-N 1 0 241.335 0.579 20 30 BCEDRO N#Cc1cncc(N2CC[C@H]3CC[NH2+][C@@H]3C2)n1 ZINC000592466622 388159527 /nfs/dbraw/zinc/15/95/27/388159527.db2.gz SUGLUEBGWWMHJO-MWLCHTKSSA-N 1 0 229.287 0.536 20 30 BCEDRO C=CCn1cccc1C(=O)NCC[NH+](C)C ZINC000488580141 388188736 /nfs/dbraw/zinc/18/87/36/388188736.db2.gz UCBMUKZLARBPKS-UHFFFAOYSA-N 1 0 221.304 0.966 20 30 BCEDRO C[C@H]1C[C@@]1(C#N)C(=O)N1CCN(C)C[C@H]1C ZINC000448945565 388122287 /nfs/dbraw/zinc/12/22/87/388122287.db2.gz IVVIGHNVTJLPKI-UMNHJUIQSA-N 1 0 221.304 0.699 20 30 BCEDRO C#CC[NH+](CC#C)C[C@H](O)CCOC(C)C ZINC000490739588 388251920 /nfs/dbraw/zinc/25/19/20/388251920.db2.gz FDXVHPDYELEDFY-CYBMUJFWSA-N 1 0 223.316 0.731 20 30 BCEDRO C#CCN1CCN(C(=O)C[NH+]2CCCCC2)CC1 ZINC000490741268 388252069 /nfs/dbraw/zinc/25/20/69/388252069.db2.gz QCJGONMVQLPPEX-UHFFFAOYSA-N 1 0 249.358 0.250 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)COC1CCOCC1 ZINC000490819896 388254476 /nfs/dbraw/zinc/25/44/76/388254476.db2.gz LFIRRKRYBJAKHJ-LBPRGKRZSA-N 1 0 241.331 0.498 20 30 BCEDRO C#CCN(CC)CC(=O)NC(=O)NCC(C)C ZINC000490780247 388254601 /nfs/dbraw/zinc/25/46/01/388254601.db2.gz HQWSHOAFLGDKHV-UHFFFAOYSA-N 1 0 239.319 0.423 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@H+]2CC[C@H](C)C2)CC1 ZINC000490852138 388256706 /nfs/dbraw/zinc/25/67/06/388256706.db2.gz LRKPYIQLOPKOCE-ZDUSSCGKSA-N 1 0 249.358 0.106 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)COCC=C ZINC000490873383 388257587 /nfs/dbraw/zinc/25/75/87/388257587.db2.gz IYHVSEBMMGUMGJ-GFCCVEGCSA-N 1 0 237.299 0.830 20 30 BCEDRO C#CCNC(=O)N1C[C@H](C)[N@H+](CC)C[C@@H]1C ZINC000490893156 388258348 /nfs/dbraw/zinc/25/83/48/388258348.db2.gz RPRYTYBAQXBCQQ-QWRGUYRKSA-N 1 0 223.320 0.744 20 30 BCEDRO C=CCCCS(=O)(=O)NCCC[NH+](C)C ZINC000489088109 388203832 /nfs/dbraw/zinc/20/38/32/388203832.db2.gz MBLXDWKNSLXKHR-UHFFFAOYSA-N 1 0 234.365 0.824 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000490039855 388231061 /nfs/dbraw/zinc/23/10/61/388231061.db2.gz VXSRGSCYDZFKAZ-JTQLQIEISA-N 1 0 234.365 0.680 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000490575420 388240983 /nfs/dbraw/zinc/24/09/83/388240983.db2.gz RRUFQYYGGUHVIU-LLVKDONJSA-N 1 0 223.320 0.649 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCCOCC)CC1 ZINC000490556933 388240987 /nfs/dbraw/zinc/24/09/87/388240987.db2.gz ZEVPPRAKNBVBOQ-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(COC)CC1 ZINC000490652434 388245569 /nfs/dbraw/zinc/24/55/69/388245569.db2.gz XJQNSGVGJJSGHF-NSHDSACASA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC2(C#N)CC2)CC1 ZINC000490656359 388245791 /nfs/dbraw/zinc/24/57/91/388245791.db2.gz ITZUJDOOVRWMSA-UHFFFAOYSA-N 1 0 231.299 0.504 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OCCOC)CC1 ZINC000490655543 388246012 /nfs/dbraw/zinc/24/60/12/388246012.db2.gz AWHPHMHHCQDMQL-UHFFFAOYSA-N 1 0 225.288 0.521 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)S[C@H](C)C1 ZINC000490678306 388246798 /nfs/dbraw/zinc/24/67/98/388246798.db2.gz NFTNWGYTFODZBI-MXWKQRLJSA-N 1 0 240.372 0.950 20 30 BCEDRO C#CC[N@H+](CC#CC)CCC(=O)N(C)C ZINC000490697300 388248082 /nfs/dbraw/zinc/24/80/82/388248082.db2.gz KGVRLFAQCLOKME-UHFFFAOYSA-N 1 0 206.289 0.423 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000491299013 388283977 /nfs/dbraw/zinc/28/39/77/388283977.db2.gz XUZAGJMKWIJBQP-JTQLQIEISA-N 1 0 208.261 0.394 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CC1CCS(=O)(=O)CC1 ZINC000491325591 388285463 /nfs/dbraw/zinc/28/54/63/388285463.db2.gz DXJAJFIGTFVZJA-JTQLQIEISA-N 1 0 229.345 0.765 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@@H](C)C[NH3+] ZINC000491339916 388286495 /nfs/dbraw/zinc/28/64/95/388286495.db2.gz UEVUQOIJGLRNDC-VHSXEESVSA-N 1 0 211.309 0.682 20 30 BCEDRO C#C[C@H](CCC)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000491361057 388287948 /nfs/dbraw/zinc/28/79/48/388287948.db2.gz IQXMDCZMIOXIQD-CHWSQXEVSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)C1(OC)CCC1 ZINC000491382998 388290083 /nfs/dbraw/zinc/29/00/83/388290083.db2.gz KGXONXQYKFTDQA-LLVKDONJSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)C/C=C/C ZINC000491385952 388290882 /nfs/dbraw/zinc/29/08/82/388290882.db2.gz SZEANDICGYCBDL-TZNOJPMFSA-N 1 0 224.304 0.043 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)Cc1cc(C)n[nH]1 ZINC000491386047 388291122 /nfs/dbraw/zinc/29/11/22/388291122.db2.gz UHDNAJZNMWUJKH-SNVBAGLBSA-N 1 0 248.330 0.378 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000491405404 388292595 /nfs/dbraw/zinc/29/25/95/388292595.db2.gz IPSLDHMIFKRMNE-GHMZBOCLSA-N 1 0 240.372 0.904 20 30 BCEDRO C#CCN(CC)C(=O)NCCC[NH2+]CC ZINC000491421140 388293104 /nfs/dbraw/zinc/29/31/04/388293104.db2.gz ZISIKMFFOSIXSN-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000451753952 388293361 /nfs/dbraw/zinc/29/33/61/388293361.db2.gz BFHHEGGSDAZUGW-AXFHLTTASA-N 1 0 226.320 0.644 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@]1(C)CCOC1 ZINC000491442075 388295298 /nfs/dbraw/zinc/29/52/98/388295298.db2.gz ZLZSZDACSFYMIX-CYBMUJFWSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000491464229 388296361 /nfs/dbraw/zinc/29/63/61/388296361.db2.gz QRUGWDXTIUGEGD-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)NCC1([NH3+])CCCCCC1 ZINC000491486049 388296605 /nfs/dbraw/zinc/29/66/05/388296605.db2.gz SMMYNJFSALPVGY-UHFFFAOYSA-N 1 0 223.320 0.971 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000491474086 388296988 /nfs/dbraw/zinc/29/69/88/388296988.db2.gz JXQKAIBJFPCQTR-GHMZBOCLSA-N 1 0 223.320 0.825 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000491474087 388297237 /nfs/dbraw/zinc/29/72/37/388297237.db2.gz JXQKAIBJFPCQTR-MNOVXSKESA-N 1 0 223.320 0.825 20 30 BCEDRO C#CCNC(=O)CCN(C)C[C@H]1CCC[N@@H+]1C ZINC000491475309 388297790 /nfs/dbraw/zinc/29/77/90/388297790.db2.gz VOWLYHQCXCTHCF-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NOCC(=C)C)CC1 ZINC000491494638 388298748 /nfs/dbraw/zinc/29/87/48/388298748.db2.gz DMWMAMJQRZELTH-UHFFFAOYSA-N 1 0 236.315 0.956 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](OC)C1CC1 ZINC000491497759 388299322 /nfs/dbraw/zinc/29/93/22/388299322.db2.gz ZZHMKWWWSDQBFR-LLVKDONJSA-N 1 0 224.304 0.141 20 30 BCEDRO C#C[C@@H](NC(=O)NCC1CC[NH2+]CC1)C(C)C ZINC000491523441 388300679 /nfs/dbraw/zinc/30/06/79/388300679.db2.gz FDWVPUVGJOGYHA-GFCCVEGCSA-N 1 0 237.347 0.943 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000491525633 388301119 /nfs/dbraw/zinc/30/11/19/388301119.db2.gz TYGRKXGROWDYAM-STQMWFEESA-N 1 0 219.284 0.612 20 30 BCEDRO C#CCN1CCN2C(=O)N(CC(C)C)C[C@H]2C1 ZINC000491535952 388302087 /nfs/dbraw/zinc/30/20/87/388302087.db2.gz GJTSENDSEONRAI-GFCCVEGCSA-N 1 0 235.331 0.697 20 30 BCEDRO C#CCN(C(=O)NCC[C@@H]1CC[NH2+]C1)C1CC1 ZINC000491553770 388303267 /nfs/dbraw/zinc/30/32/67/388303267.db2.gz CLLNCEKUIIKRGA-NSHDSACASA-N 1 0 235.331 0.793 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CCO)C(C)(C)C ZINC000491556743 388303924 /nfs/dbraw/zinc/30/39/24/388303924.db2.gz YWZFFIBXBHEAAA-NSHDSACASA-N 1 0 240.347 0.513 20 30 BCEDRO C#CC(C)(C)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000491567172 388304282 /nfs/dbraw/zinc/30/42/82/388304282.db2.gz JUIBMCYIJMTGIV-GFCCVEGCSA-N 1 0 224.348 0.785 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000491631907 388306685 /nfs/dbraw/zinc/30/66/85/388306685.db2.gz QLHBHFOTGAUXNX-SECBINFHSA-N 1 0 237.303 0.270 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCCC1=CC[NH2+]CC1 ZINC000491651563 388307956 /nfs/dbraw/zinc/30/79/56/388307956.db2.gz HSGLJFCEGASPDC-LLVKDONJSA-N 1 0 235.331 0.959 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1ccc(C)o1 ZINC000491658189 388308802 /nfs/dbraw/zinc/30/88/02/388308802.db2.gz HCVBZDOTBZAXDL-UHFFFAOYSA-N 1 0 234.299 0.860 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@@H]([NH3+])CC)C(C)C ZINC000491659459 388309054 /nfs/dbraw/zinc/30/90/54/388309054.db2.gz BTHSMWHTNBKQKN-VHSXEESVSA-N 1 0 211.309 0.681 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000491663793 388309134 /nfs/dbraw/zinc/30/91/34/388309134.db2.gz DPTPBTVEZDYPEZ-QMMMGPOBSA-N 1 0 231.246 0.258 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[C@H]1OC ZINC000491663238 388309306 /nfs/dbraw/zinc/30/93/06/388309306.db2.gz RGXPBVXTUMWIIJ-NWDGAFQWSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](OCC)C1 ZINC000491668387 388309661 /nfs/dbraw/zinc/30/96/61/388309661.db2.gz SSQWDWNALNQBSU-PHIMTYICSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000491671940 388309841 /nfs/dbraw/zinc/30/98/41/388309841.db2.gz OIDLOUUCCQVANQ-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)C[C@H](C)O ZINC000491674229 388310051 /nfs/dbraw/zinc/31/00/51/388310051.db2.gz RNQKLPNZRHAVOA-NSHDSACASA-N 1 0 240.347 0.513 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1COCC1(C)C ZINC000491679127 388310439 /nfs/dbraw/zinc/31/04/39/388310439.db2.gz WTXVDWHEFALWPI-SNVBAGLBSA-N 1 0 224.304 0.141 20 30 BCEDRO C#CCN(C(=O)NCCC[NH2+]CC)C1CC1 ZINC000491683114 388310760 /nfs/dbraw/zinc/31/07/60/388310760.db2.gz WOXNIIUASZELFQ-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCN(C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000491689402 388310968 /nfs/dbraw/zinc/31/09/68/388310968.db2.gz IHKQXPZCIZZDBD-LLVKDONJSA-N 1 0 225.336 0.991 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NOCC=C ZINC000491691563 388311219 /nfs/dbraw/zinc/31/12/19/388311219.db2.gz FFYHFUPKIJXIQN-UHFFFAOYSA-N 1 0 225.292 0.358 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@@H](C)OC ZINC000491692989 388311377 /nfs/dbraw/zinc/31/13/77/388311377.db2.gz CGXPRYVEZNWDPS-SNVBAGLBSA-N 1 0 212.293 0.141 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC(=O)CC12CCC2 ZINC000491692592 388311513 /nfs/dbraw/zinc/31/15/13/388311513.db2.gz HQKQDVCVHLHXAU-UHFFFAOYSA-N 1 0 248.326 0.714 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)C[N@@H+](C)C(C)C ZINC000491695352 388311691 /nfs/dbraw/zinc/31/16/91/388311691.db2.gz BWWZZSZHIRJSKW-NSHDSACASA-N 1 0 224.304 0.187 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@](C)(CC)OC ZINC000491694596 388311794 /nfs/dbraw/zinc/31/17/94/388311794.db2.gz LLHDFTCAURQSGM-GFCCVEGCSA-N 1 0 226.320 0.531 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CC2CC2)CC1 ZINC000491697303 388312095 /nfs/dbraw/zinc/31/20/95/388312095.db2.gz PRPINVGJJARBGQ-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)C(CC)CC ZINC000491699071 388312230 /nfs/dbraw/zinc/31/22/30/388312230.db2.gz BCIDDEWPHBYTCC-GFCCVEGCSA-N 1 0 240.347 0.513 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C1CC[NH+](C)CC1 ZINC000491699658 388312354 /nfs/dbraw/zinc/31/23/54/388312354.db2.gz CGNMYZIQEJZKFJ-SNVBAGLBSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCC(=O)OCC ZINC000491701088 388312602 /nfs/dbraw/zinc/31/26/02/388312602.db2.gz UKHJTYAXKCPQSO-UHFFFAOYSA-N 1 0 240.303 0.059 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000491701936 388312924 /nfs/dbraw/zinc/31/29/24/388312924.db2.gz IFCMKKDNBPNYDK-JQWIXIFHSA-N 1 0 235.331 0.744 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCOCC(C)C ZINC000491703047 388313050 /nfs/dbraw/zinc/31/30/50/388313050.db2.gz YPDDUMNUQFJGLR-UHFFFAOYSA-N 1 0 240.347 0.778 20 30 BCEDRO C#C[C@H](C)N(C)CC1(C[N@H+](C)[C@@H](C)C#C)COC1 ZINC000491704759 388313090 /nfs/dbraw/zinc/31/30/90/388313090.db2.gz BSZGQCWQZQURKX-KBPBESRZSA-N 1 0 248.370 0.910 20 30 BCEDRO C#CCNC(=O)NC[C@H]1[NH2+]CCc2ccccc21 ZINC000491708315 388313647 /nfs/dbraw/zinc/31/36/47/388313647.db2.gz HOLXCWNDDIMGIV-CYBMUJFWSA-N 1 0 243.310 0.806 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)[C@@H](C)C#C ZINC000491724701 388314915 /nfs/dbraw/zinc/31/49/15/388314915.db2.gz ACMXQXJBIORRQS-LBPRGKRZSA-N 1 0 235.331 0.605 20 30 BCEDRO C#C[C@H](CO)[NH2+]CCC(=O)Nc1ccc(C)cn1 ZINC000491728591 388315263 /nfs/dbraw/zinc/31/52/63/388315263.db2.gz HNUQQLQHRUMHEP-LLVKDONJSA-N 1 0 247.298 0.302 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[NH2+][C@@H](C)C1)C(C)C ZINC000491730787 388315687 /nfs/dbraw/zinc/31/56/87/388315687.db2.gz HYPSTIYXJNKNCL-QWRGUYRKSA-N 1 0 223.320 0.648 20 30 BCEDRO C#CCN(CC)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000491748552 388317253 /nfs/dbraw/zinc/31/72/53/388317253.db2.gz OVCRHHZCTALKPW-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C[N@H+](CC)C1CC1 ZINC000491748046 388317289 /nfs/dbraw/zinc/31/72/89/388317289.db2.gz OBSCPDGTAKVHCL-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N[C@H]1CC12CC2 ZINC000491752107 388317783 /nfs/dbraw/zinc/31/77/83/388317783.db2.gz ZAHQBHXMYWBMFR-NSHDSACASA-N 1 0 235.331 0.793 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000491753669 388318108 /nfs/dbraw/zinc/31/81/08/388318108.db2.gz OXKOZKCYJKPCRC-CHWSQXEVSA-N 1 0 247.342 0.795 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000491753665 388318248 /nfs/dbraw/zinc/31/82/48/388318248.db2.gz OXCBAQVDZYRPEK-AGIUHOORSA-N 1 0 249.358 0.895 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000491760141 388318701 /nfs/dbraw/zinc/31/87/01/388318701.db2.gz PLCSRPLAZHHDMU-FRRDWIJNSA-N 1 0 249.358 0.293 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NC(C)(C)CF ZINC000491777112 388319829 /nfs/dbraw/zinc/31/98/29/388319829.db2.gz FTCCQHBNEWAWCK-UHFFFAOYSA-N 1 0 243.326 0.989 20 30 BCEDRO C#C[C@@H](NC(=O)NCC1=CC[NH2+]CC1)C(C)C ZINC000491788114 388321192 /nfs/dbraw/zinc/32/11/92/388321192.db2.gz RWTFLSOTXUDYMS-GFCCVEGCSA-N 1 0 235.331 0.863 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)[C@@H](O)C(F)F ZINC000491804419 388321948 /nfs/dbraw/zinc/32/19/48/388321948.db2.gz LVIXMYPCBPLXRM-PSASIEDQSA-N 1 0 248.273 0.120 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOC(C)(C)CC ZINC000491807649 388322133 /nfs/dbraw/zinc/32/21/33/388322133.db2.gz CQLQLSIANAMREW-UHFFFAOYSA-N 1 0 240.347 0.921 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1)C1CC1 ZINC000491807432 388322215 /nfs/dbraw/zinc/32/22/15/388322215.db2.gz SHSAOVGBRDKYKE-GHMZBOCLSA-N 1 0 235.331 0.921 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@H](CC)[NH+](C)C ZINC000491808361 388322506 /nfs/dbraw/zinc/32/25/06/388322506.db2.gz UXXJCGRWCOWJPJ-NSHDSACASA-N 1 0 206.289 0.422 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000491818179 388323472 /nfs/dbraw/zinc/32/34/72/388323472.db2.gz PSQDNAFLYATGBW-ZDUSSCGKSA-N 1 0 247.342 0.654 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1nccc(C)n1 ZINC000491817111 388323478 /nfs/dbraw/zinc/32/34/78/388323478.db2.gz UOYWVJZMSHURDJ-UHFFFAOYSA-N 1 0 246.314 0.470 20 30 BCEDRO C#CCNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000491818673 388323591 /nfs/dbraw/zinc/32/35/91/388323591.db2.gz ZHVOHTPHLHHLBW-LLVKDONJSA-N 1 0 223.320 0.601 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000491819448 388323779 /nfs/dbraw/zinc/32/37/79/388323779.db2.gz TYPMSAMQENPOJK-NSHDSACASA-N 1 0 248.330 0.538 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000491820631 388323902 /nfs/dbraw/zinc/32/39/02/388323902.db2.gz YMAHBVSFPRRGSM-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO CCC[C@H](C#N)NC(=O)/C=C/C[NH+](C)C ZINC000491873099 388325619 /nfs/dbraw/zinc/32/56/19/388325619.db2.gz SYGWHXWWAOUNFL-BREXMAIKSA-N 1 0 209.293 0.913 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)/C=C\C[NH+](C)C ZINC000491906162 388327313 /nfs/dbraw/zinc/32/73/13/388327313.db2.gz OSVXYKFUUFVDLZ-WWQCOOJYSA-N 1 0 209.293 0.722 20 30 BCEDRO C#CCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000490950109 388261310 /nfs/dbraw/zinc/26/13/10/388261310.db2.gz OMLPZFQSTLFNRI-UHFFFAOYSA-N 1 0 221.304 0.571 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CC2(O)CCOCC2)C1 ZINC000336663338 388262155 /nfs/dbraw/zinc/26/21/55/388262155.db2.gz CVMZSAUKDFMYAH-QWRGUYRKSA-N 1 0 224.304 0.810 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+]C(C)(C)c1cnn(C)c1 ZINC000491024005 388265795 /nfs/dbraw/zinc/26/57/95/388265795.db2.gz ZXHYQYBILFGYKG-SNVBAGLBSA-N 1 0 248.330 0.383 20 30 BCEDRO C[C@@]12C[N@H+](CC(=O)NCC#N)C[C@@H]1[C@@H]1C=C[C@H]2C1 ZINC000451376898 388267145 /nfs/dbraw/zinc/26/71/45/388267145.db2.gz WHRCAUXXFVOGEC-CZXHOFHRSA-N 1 0 245.326 0.770 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(OC)C1 ZINC000491041555 388267207 /nfs/dbraw/zinc/26/72/07/388267207.db2.gz ZPIQURGHCRFHKY-AAEUAGOBSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCN1CCO[C@@H](C)C1 ZINC000491043866 388267360 /nfs/dbraw/zinc/26/73/60/388267360.db2.gz FCPSXIAXNWEBPF-RYUDHWBXSA-N 1 0 210.321 0.661 20 30 BCEDRO C#CC(C)(C)[N@H+](C)CCN1CCOCC1 ZINC000491072022 388267603 /nfs/dbraw/zinc/26/76/03/388267603.db2.gz PDJIVBJRYGTZHP-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646337644 388268961 /nfs/dbraw/zinc/26/89/61/388268961.db2.gz JOVYYLUZAWTYMX-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OCc2cn[nH]c2)CC1 ZINC000491095484 388269322 /nfs/dbraw/zinc/26/93/22/388269322.db2.gz LFTKKKZINILRON-UHFFFAOYSA-N 1 0 247.298 0.798 20 30 BCEDRO C#CCNC(=O)CC[N@H+](CCCC)CCOC ZINC000491122271 388270814 /nfs/dbraw/zinc/27/08/14/388270814.db2.gz VBLXFIOIYMCXDQ-UHFFFAOYSA-N 1 0 240.347 0.874 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCCOC1 ZINC000491120170 388271001 /nfs/dbraw/zinc/27/10/01/388271001.db2.gz LNQODXAEYUFGLQ-RYUDHWBXSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1[C@@H](C)CCC[C@H]1CO ZINC000491122957 388271204 /nfs/dbraw/zinc/27/12/04/388271204.db2.gz YVIHUERLVIBVPS-RYUDHWBXSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@H](C)N(C2CC2)C1 ZINC000491127308 388271977 /nfs/dbraw/zinc/27/19/77/388271977.db2.gz WEIHPIILEJCMFQ-RYUDHWBXSA-N 1 0 249.358 0.341 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)C[C@H]1CCCO1 ZINC000491166902 388274103 /nfs/dbraw/zinc/27/41/03/388274103.db2.gz VCKMCJIKZMEIFC-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C(C)C)[C@H]1CCOC1 ZINC000491166690 388274119 /nfs/dbraw/zinc/27/41/19/388274119.db2.gz UBJOVNCAYWEUMN-LBPRGKRZSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](C(C)C)C1 ZINC000491165678 388274336 /nfs/dbraw/zinc/27/43/36/388274336.db2.gz MVMFRPLRXMCZRD-GFCCVEGCSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCNC(=O)CCN1CC[NH+](C2CCC2)CC1 ZINC000491201369 388276666 /nfs/dbraw/zinc/27/66/66/388276666.db2.gz GZDQVIXOAFXCTM-UHFFFAOYSA-N 1 0 249.358 0.296 20 30 BCEDRO C#CCN(C)C(=O)NC[C@@H]1CC[N@@H+](CCC)C1 ZINC000491193012 388276698 /nfs/dbraw/zinc/27/66/98/388276698.db2.gz UWZLWBHLYCFFFO-LBPRGKRZSA-N 1 0 237.347 0.993 20 30 BCEDRO C#CCNC(=O)CCN1CC[NH+](CC2CC2)CC1 ZINC000491200892 388276922 /nfs/dbraw/zinc/27/69/22/388276922.db2.gz CVQSYIZJXCUJPL-UHFFFAOYSA-N 1 0 249.358 0.154 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000491255147 388280638 /nfs/dbraw/zinc/28/06/38/388280638.db2.gz WESBIAKBVYTQBG-JTQLQIEISA-N 1 0 223.272 0.131 20 30 BCEDRO CCC[C@@H](C(=O)N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC000162031561 388346505 /nfs/dbraw/zinc/34/65/05/388346505.db2.gz YYJZQSFFMYVZCJ-QWRGUYRKSA-N 1 0 239.319 0.468 20 30 BCEDRO C=C[C@@H](O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000646657259 388404398 /nfs/dbraw/zinc/40/43/98/388404398.db2.gz MVDDUKKWVYVVCG-CYBMUJFWSA-N 1 0 248.326 0.911 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000646369700 388346725 /nfs/dbraw/zinc/34/67/25/388346725.db2.gz KUVHCEANRWUHJB-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C[NH+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC000130590235 388347627 /nfs/dbraw/zinc/34/76/27/388347627.db2.gz SUGPYZGKSRKTSO-UHFFFAOYSA-N 1 0 206.249 0.178 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594532847 388357678 /nfs/dbraw/zinc/35/76/78/388357678.db2.gz DUELBXGONUDYIR-SECBINFHSA-N 1 0 244.298 0.931 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000236664225 388381719 /nfs/dbraw/zinc/38/17/19/388381719.db2.gz LXCAZWMISXNGEY-UHFFFAOYSA-N 1 0 229.283 0.950 20 30 BCEDRO COc1cc(C#N)ccc1NC(=O)NC1C[NH2+]C1 ZINC000557002935 388384893 /nfs/dbraw/zinc/38/48/93/388384893.db2.gz PKBRWFGASKAKSK-UHFFFAOYSA-N 1 0 246.270 0.660 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000646574833 388386432 /nfs/dbraw/zinc/38/64/32/388386432.db2.gz WUFXTXDDWXKJAB-SECBINFHSA-N 1 0 214.309 0.237 20 30 BCEDRO C=CCN(C)C[C@H](O)C[N@@H+](C)CCOC ZINC000573016502 388406451 /nfs/dbraw/zinc/40/64/51/388406451.db2.gz TWAFCADGFSAZFS-NSHDSACASA-N 1 0 216.325 0.043 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237571407 388397343 /nfs/dbraw/zinc/39/73/43/388397343.db2.gz GKEHIQRFTWCHMF-UWVGGRQHSA-N 1 0 212.293 0.527 20 30 BCEDRO C[NH+](C)C1CN(c2ncc([N+](=O)[O-])cc2C#N)C1 ZINC000271695071 388399327 /nfs/dbraw/zinc/39/93/27/388399327.db2.gz ASPFMXFHJIMSDG-UHFFFAOYSA-N 1 0 247.258 0.612 20 30 BCEDRO C=CCOCCN1C[C@H](C)O[C@H](CO)C1 ZINC000339119574 388480320 /nfs/dbraw/zinc/48/03/20/388480320.db2.gz SQISAVHJNDUQLV-QWRGUYRKSA-N 1 0 215.293 0.271 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NOCC)CC1 ZINC000072015426 388454048 /nfs/dbraw/zinc/45/40/48/388454048.db2.gz JGQRKXUSAHYWFS-UHFFFAOYSA-N 1 0 210.277 0.399 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1nccn1C ZINC000336658836 388460114 /nfs/dbraw/zinc/46/01/14/388460114.db2.gz BEUVDFDMOUFAQF-SNVBAGLBSA-N 1 0 209.293 0.694 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)CSC ZINC000515650309 256753410 /nfs/dbraw/zinc/75/34/10/256753410.db2.gz REUUXGPCMMWNHB-BDAKNGLRSA-N 1 0 205.323 0.237 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648878233 388478107 /nfs/dbraw/zinc/47/81/07/388478107.db2.gz LKJACDJECPRIBS-VXGBXAGGSA-N 1 0 240.347 0.988 20 30 BCEDRO COC(=O)[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000338930078 388478365 /nfs/dbraw/zinc/47/83/65/388478365.db2.gz UOLOJQXTSSKCNO-SNVBAGLBSA-N 1 0 226.276 0.412 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000646677595 388413550 /nfs/dbraw/zinc/41/35/50/388413550.db2.gz DXUXMVGNOBGWAB-LLVKDONJSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000646677596 388413574 /nfs/dbraw/zinc/41/35/74/388413574.db2.gz DXUXMVGNOBGWAB-NSHDSACASA-N 1 0 226.320 0.381 20 30 BCEDRO C[N@H+](CCNC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC000271936100 388413981 /nfs/dbraw/zinc/41/39/81/388413981.db2.gz AJTCRXPPWNHKGB-UHFFFAOYSA-N 1 0 232.287 0.710 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[NH+]1CCCCC1 ZINC000646679026 388414752 /nfs/dbraw/zinc/41/47/52/388414752.db2.gz PRDNZHXJDPNGKN-JTQLQIEISA-N 1 0 212.293 0.135 20 30 BCEDRO CCC[C@H](C#N)NC(=O)[C@@H]1CN(CC)CCO1 ZINC000525178165 388419610 /nfs/dbraw/zinc/41/96/10/388419610.db2.gz QVDRMRMNFWKDDE-MNOVXSKESA-N 1 0 239.319 0.516 20 30 BCEDRO C=CCCCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000573176506 388427633 /nfs/dbraw/zinc/42/76/33/388427633.db2.gz JQAMKFMFLWSECX-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCOCCN1C[C@H](CO)O[C@@H](C)C1 ZINC000339119575 388480076 /nfs/dbraw/zinc/48/00/76/388480076.db2.gz SQISAVHJNDUQLV-WDEREUQCSA-N 1 0 215.293 0.271 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@@H](C)OC ZINC000167152777 388438078 /nfs/dbraw/zinc/43/80/78/388438078.db2.gz VXSSONPNTMRTGV-NXEZZACHSA-N 1 0 212.293 0.139 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCc2nnc(NC)cc2C1 ZINC000649287306 388543619 /nfs/dbraw/zinc/54/36/19/388543619.db2.gz HBNWTUSIQLVBSN-GFCCVEGCSA-N 1 0 248.330 0.235 20 30 BCEDRO CC#CCCNC(=O)N(C)CCC[NH+](C)C ZINC000548516792 388545908 /nfs/dbraw/zinc/54/59/08/388545908.db2.gz HUXZJEGNLYUSQO-UHFFFAOYSA-N 1 0 225.336 0.993 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000646814727 388550700 /nfs/dbraw/zinc/55/07/00/388550700.db2.gz MPPULWQBYDQOCB-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO CC1CC[NH+](CCN2CCOC[C@H]2C#N)CC1 ZINC000178022016 388495391 /nfs/dbraw/zinc/49/53/91/388495391.db2.gz UEBMMPOZNZYSDN-CYBMUJFWSA-N 1 0 237.347 0.943 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000646775626 388497539 /nfs/dbraw/zinc/49/75/39/388497539.db2.gz KUXWUHHNHJVYPN-NEPJUHHUSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000646775629 388497683 /nfs/dbraw/zinc/49/76/83/388497683.db2.gz KUXWUHHNHJVYPN-VXGBXAGGSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CCN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178480475 388500419 /nfs/dbraw/zinc/50/04/19/388500419.db2.gz MXQSEFHOJKJHRR-LBPRGKRZSA-N 1 0 208.305 0.274 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000646780979 388500710 /nfs/dbraw/zinc/50/07/10/388500710.db2.gz QWWGTODAGGDIRL-NEPJUHHUSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000646780982 388500882 /nfs/dbraw/zinc/50/08/82/388500882.db2.gz QWWGTODAGGDIRL-VXGBXAGGSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000646795955 388506919 /nfs/dbraw/zinc/50/69/19/388506919.db2.gz CXZAVAVTDITEIM-NXEZZACHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000646795957 388507145 /nfs/dbraw/zinc/50/71/45/388507145.db2.gz CXZAVAVTDITEIM-VHSXEESVSA-N 1 0 212.293 0.086 20 30 BCEDRO CCN(CC)C(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000179014915 388508613 /nfs/dbraw/zinc/50/86/13/388508613.db2.gz DRGKMLMAZASDBZ-UHFFFAOYSA-N 1 0 228.296 0.094 20 30 BCEDRO CC[C@]1(O)CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528464242 388530118 /nfs/dbraw/zinc/53/01/18/388530118.db2.gz LCRGYSOTUXOOJI-YPMHNXCESA-N 1 0 238.331 0.888 20 30 BCEDRO CN(C)[C@H]1C[N@H+](CCCSCC#N)C[C@@H]1O ZINC000517038643 388534563 /nfs/dbraw/zinc/53/45/63/388534563.db2.gz IRRRVJWDVSYURM-QWRGUYRKSA-N 1 0 243.376 0.240 20 30 BCEDRO Cn1cnc(CC[NH2+]Cc2ccc(C#N)o2)n1 ZINC000122963589 388591200 /nfs/dbraw/zinc/59/12/00/388591200.db2.gz RTIGEEKFCBOBSR-UHFFFAOYSA-N 1 0 231.259 0.612 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000187545150 388609129 /nfs/dbraw/zinc/60/91/29/388609129.db2.gz WLMLTLMGGRFIOP-WXRRBKDZSA-N 1 0 240.347 0.960 20 30 BCEDRO CCC[C@@H]1C[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000517556483 388552898 /nfs/dbraw/zinc/55/28/98/388552898.db2.gz KXFWWTBKSYRVKX-JHJVBQTASA-N 1 0 239.363 0.971 20 30 BCEDRO Cc1[nH]c(C#N)cc1C(=O)N(C)CC1C[NH+](C)C1 ZINC000598158282 388561331 /nfs/dbraw/zinc/56/13/31/388561331.db2.gz DZAINBVBYPAXIR-UHFFFAOYSA-N 1 0 246.314 0.828 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H]1CCO[C@@H]1C ZINC000328175974 388581154 /nfs/dbraw/zinc/58/11/54/388581154.db2.gz LVTFYERYENLIJG-VXGBXAGGSA-N 1 0 210.321 0.709 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](C)COCC ZINC000328180609 388581844 /nfs/dbraw/zinc/58/18/44/388581844.db2.gz NDBOOCSIDGFFGO-GFCCVEGCSA-N 1 0 212.337 0.956 20 30 BCEDRO C=CC[N@H+](CCOC)CCN1CCOC[C@@H]1C ZINC000192821756 388685990 /nfs/dbraw/zinc/68/59/90/388685990.db2.gz SFSWDCZBJVWYJD-ZDUSSCGKSA-N 1 0 242.363 0.842 20 30 BCEDRO C[NH2+]CCNC(=O)Nc1cc(C#N)ccc1OC ZINC000415069085 388666871 /nfs/dbraw/zinc/66/68/71/388666871.db2.gz FWGFCZIPPQDDBU-UHFFFAOYSA-N 1 0 248.286 0.908 20 30 BCEDRO COc1ccc(C#N)cc1NC(=O)N(C)CC[NH3+] ZINC000415068912 388667228 /nfs/dbraw/zinc/66/72/28/388667228.db2.gz NWCSUYCILDNAJS-UHFFFAOYSA-N 1 0 248.286 0.989 20 30 BCEDRO COc1ccc(C#N)cc1NC(=O)NCC[NH3+] ZINC000415080623 388667457 /nfs/dbraw/zinc/66/74/57/388667457.db2.gz ZDUPGWGGJXKMHM-UHFFFAOYSA-N 1 0 234.259 0.647 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000520830395 388670332 /nfs/dbraw/zinc/67/03/32/388670332.db2.gz GVLRHOYCIILOFA-ZJUUUORDSA-N 1 0 247.298 0.789 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000521986477 388672667 /nfs/dbraw/zinc/67/26/67/388672667.db2.gz HWDVTZWFIQWWOV-AXFHLTTASA-N 1 0 239.319 0.366 20 30 BCEDRO C[C@H](Nc1ccc(C#N)nn1)[C@H]1CN(C)CCO1 ZINC000301981139 388618548 /nfs/dbraw/zinc/61/85/48/388618548.db2.gz XUQMUZQXRNUPBJ-GXSJLCMTSA-N 1 0 247.302 0.479 20 30 BCEDRO CN(CC[NH+]1CCCC1)c1ccc(C#N)nn1 ZINC000302005268 388618628 /nfs/dbraw/zinc/61/86/28/388618628.db2.gz SKVNJRDCIBTZDT-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000551046735 388619758 /nfs/dbraw/zinc/61/97/58/388619758.db2.gz MWLVEHLATLSEHK-LLVKDONJSA-N 1 0 239.363 0.703 20 30 BCEDRO Cc1ccc(NC[C@](C)(O)C[NH+](C)C)nc1C#N ZINC000302628650 388622666 /nfs/dbraw/zinc/62/26/66/388622666.db2.gz IRJSAPOYFCMXMV-ZDUSSCGKSA-N 1 0 248.330 0.986 20 30 BCEDRO CNC(=O)C[N@H+](C)CCCSCC#N ZINC000342164653 135251231 /nfs/dbraw/zinc/25/12/31/135251231.db2.gz FZBSEAZXEOCIAW-UHFFFAOYSA-N 1 0 215.322 0.311 20 30 BCEDRO Cn1cc(C[NH2+]C[C@H](O)[C@@H]2CCOC2)cc1C#N ZINC000359714057 388630274 /nfs/dbraw/zinc/63/02/74/388630274.db2.gz CPTGTPLRURNNED-YPMHNXCESA-N 1 0 249.314 0.384 20 30 BCEDRO CO[C@]1(C[NH2+]CC(C)(C)C#N)CCOC1 ZINC000405100519 388638076 /nfs/dbraw/zinc/63/80/76/388638076.db2.gz MIVWFKITUTUZQX-NSHDSACASA-N 1 0 212.293 0.931 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC[N@H+](C)C1CC1 ZINC000062010362 388648971 /nfs/dbraw/zinc/64/89/71/388648971.db2.gz WVYHUMMBUVFQGD-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C#CC[N@@H+](C)CCOCCOCCOC ZINC000190342556 388649950 /nfs/dbraw/zinc/64/99/50/388649950.db2.gz TZFIAAFWUMTZQM-UHFFFAOYSA-N 1 0 215.293 0.231 20 30 BCEDRO COC(=O)[C@@H]1CC[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000276757751 388741913 /nfs/dbraw/zinc/74/19/13/388741913.db2.gz MGBJTBHBJWOIEU-LLVKDONJSA-N 1 0 247.298 0.892 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000552980051 388743122 /nfs/dbraw/zinc/74/31/22/388743122.db2.gz LERLXYLFFXWAGD-QWRGUYRKSA-N 1 0 223.320 0.946 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000552980050 388743417 /nfs/dbraw/zinc/74/34/17/388743417.db2.gz LERLXYLFFXWAGD-MNOVXSKESA-N 1 0 223.320 0.946 20 30 BCEDRO C[C@H](CNC(=O)c1ccc(C#N)n1C)[NH+](C)C ZINC000448678002 388744808 /nfs/dbraw/zinc/74/48/08/388744808.db2.gz QTVJTJSAOLJSFL-SECBINFHSA-N 1 0 234.303 0.577 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3ccnc(C#N)c3)C[C@@H]21 ZINC000329363199 388746400 /nfs/dbraw/zinc/74/64/00/388746400.db2.gz HNMWEYFIVHYESD-STQMWFEESA-N 1 0 244.298 0.472 20 30 BCEDRO C=CCCCN(C)C(=O)[C@H](C[NH3+])OC ZINC000227407137 388751699 /nfs/dbraw/zinc/75/16/99/388751699.db2.gz KOJDWXZBNVGCHG-VIFPVBQESA-N 1 0 200.282 0.385 20 30 BCEDRO Cc1cc(C[NH2+]CCn2cnc(C#N)n2)ccn1 ZINC000527707740 388700148 /nfs/dbraw/zinc/70/01/48/388700148.db2.gz HTSXHSVOOSWWNO-UHFFFAOYSA-N 1 0 242.286 0.643 20 30 BCEDRO CCN(CCC#N)[C@H]1CCCN(C)C1=O ZINC000538709134 388708196 /nfs/dbraw/zinc/70/81/96/388708196.db2.gz OJRQXGZTHOAIIH-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@H]2COCCN2)c1 ZINC000530246476 388712930 /nfs/dbraw/zinc/71/29/30/388712930.db2.gz HFTLEJHFCMRSRZ-ZDUSSCGKSA-N 1 0 231.299 0.636 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000249544236 388726486 /nfs/dbraw/zinc/72/64/86/388726486.db2.gz FVDAVLYMJBZAAD-GRYCIOLGSA-N 1 0 240.347 0.899 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2ccnc(C#N)c2)C1 ZINC000281109838 388792084 /nfs/dbraw/zinc/79/20/84/388792084.db2.gz HIDRGNTZDRGLFM-UHFFFAOYSA-N 1 0 230.271 0.339 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000252926256 388792887 /nfs/dbraw/zinc/79/28/87/388792887.db2.gz NTNNRSNYRJVTSC-QJPTWQEYSA-N 1 0 238.331 0.360 20 30 BCEDRO C[C@@H]1C[N@H+](CCCCC#N)C[C@@H](CO)O1 ZINC000229962760 388806051 /nfs/dbraw/zinc/80/60/51/388806051.db2.gz AOBMXPPSHVKFSH-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO C=CCCC[C@@H](C)NC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000642639264 388806692 /nfs/dbraw/zinc/80/66/92/388806692.db2.gz SZIJICYYUTXVIM-VHSXEESVSA-N 1 0 241.335 0.311 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000251920392 388758892 /nfs/dbraw/zinc/75/88/92/388758892.db2.gz SIURKLSFNPOYBO-SDDRHHMPSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCOC1 ZINC000252499688 388768661 /nfs/dbraw/zinc/76/86/61/388768661.db2.gz JBNNFSSINNHRPK-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCOC[C@@H]2C#N)C1 ZINC000553492978 388778142 /nfs/dbraw/zinc/77/81/42/388778142.db2.gz MSDPLPGMGKZOFG-MNOVXSKESA-N 1 0 237.303 0.079 20 30 BCEDRO C[C@@H]1[C@H](C)N(c2cc(C#N)ncn2)CC[N@H+]1C ZINC000555804966 388824728 /nfs/dbraw/zinc/82/47/28/388824728.db2.gz YQOSGJJUGAILNR-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO CC#CCNC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000642644060 388824737 /nfs/dbraw/zinc/82/47/37/388824737.db2.gz UBVMIWMZUIOOOO-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCNC(=O)[C@@H]([NH3+])c1ccc(C)cc1 ZINC000230797494 388830073 /nfs/dbraw/zinc/83/00/73/388830073.db2.gz RXVGEMVSRRDMPU-NSHDSACASA-N 1 0 202.257 0.744 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000541016310 388834742 /nfs/dbraw/zinc/83/47/42/388834742.db2.gz MRIHKROSKKZUCC-JTQLQIEISA-N 1 0 236.319 0.707 20 30 BCEDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000564845416 388893749 /nfs/dbraw/zinc/89/37/49/388893749.db2.gz XVJBAQUJYTYCJC-JHJVBQTASA-N 1 0 239.363 0.971 20 30 BCEDRO C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000564845414 388894300 /nfs/dbraw/zinc/89/43/00/388894300.db2.gz XVJBAQUJYTYCJC-AGIUHOORSA-N 1 0 239.363 0.971 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)C[N@@H+](CC)C1CC1 ZINC000649185085 388896341 /nfs/dbraw/zinc/89/63/41/388896341.db2.gz XFALXIDWLZRWML-NSHDSACASA-N 1 0 238.331 0.361 20 30 BCEDRO C[NH2+]CCS[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000564925604 388897999 /nfs/dbraw/zinc/89/79/99/388897999.db2.gz DKUFMQUJZOGMMG-VIFPVBQESA-N 1 0 241.360 0.890 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000564979788 388905847 /nfs/dbraw/zinc/90/58/47/388905847.db2.gz WCQUFFFXXJTJTB-ZDUSSCGKSA-N 1 0 237.274 0.314 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000565049966 388911840 /nfs/dbraw/zinc/91/18/40/388911840.db2.gz VAFNTIGZZOXYOU-WDEREUQCSA-N 1 0 212.293 0.498 20 30 BCEDRO CC[NH+]1C[C@H](C)N(C(=O)CC#N)[C@@H](C)C1 ZINC000565208378 388922736 /nfs/dbraw/zinc/92/27/36/388922736.db2.gz IFNBYNXDBMMQGI-UWVGGRQHSA-N 1 0 209.293 0.841 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)CCOC(C)C ZINC000564978912 388904279 /nfs/dbraw/zinc/90/42/79/388904279.db2.gz PWLOFDJVVXWUAW-NEPJUHHUSA-N 1 0 231.336 0.689 20 30 BCEDRO C=CCN1CC[C@H](N2CCC([NH2+]C)CC2)C1=O ZINC000565892753 388976927 /nfs/dbraw/zinc/97/69/27/388976927.db2.gz ROIVYFDJNKCUSR-LBPRGKRZSA-N 1 0 237.347 0.457 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000565936062 388979718 /nfs/dbraw/zinc/97/97/18/388979718.db2.gz ZVSUYKKQYYFOHK-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO COCC[N@@H+]1CCC[C@@H]1CNCCC#N ZINC000566108396 388988064 /nfs/dbraw/zinc/98/80/64/388988064.db2.gz ZNFUXFKICVFFJG-LLVKDONJSA-N 1 0 211.309 0.600 20 30 BCEDRO C#CCC[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000273554006 389043031 /nfs/dbraw/zinc/04/30/31/389043031.db2.gz ZEUFKNVPVIFSKE-LBPRGKRZSA-N 1 0 216.284 0.696 20 30 BCEDRO C#C[C@@H](NC(=O)[C@H]1C[N@@H+]2CCN1CCC2)C(C)C ZINC000374058596 533261917 /nfs/dbraw/zinc/26/19/17/533261917.db2.gz UNSLCVHHFCUVGY-CHWSQXEVSA-N 1 0 249.358 0.150 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000370443656 533290952 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134022167 /nfs/dbraw/zinc/02/21/67/134022167.db2.gz HABHGEUROZSADH-WDEREUQCSA-N 1 0 221.304 0.985 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000336000686 134046406 /nfs/dbraw/zinc/04/64/06/134046406.db2.gz KLYVNKUNGHIBIG-MNOVXSKESA-N 1 0 223.320 0.946 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000336000685 134046998 /nfs/dbraw/zinc/04/69/98/134046998.db2.gz KLYVNKUNGHIBIG-GHMZBOCLSA-N 1 0 223.320 0.946 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N[C@]2(C#N)CC2(C)C)C1 ZINC000336103312 134084249 /nfs/dbraw/zinc/08/42/49/134084249.db2.gz ZOQSCCHLYWFSDT-CABZTGNLSA-N 1 0 221.304 0.747 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](CC)C[C@@H](C)O ZINC000352202195 134101489 /nfs/dbraw/zinc/10/14/89/134101489.db2.gz IURKIEXIBZKXNV-NXEZZACHSA-N 1 0 214.309 0.380 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](CC)C[C@@H](C)O ZINC000352204182 134103946 /nfs/dbraw/zinc/10/39/46/134103946.db2.gz WTCODZMKMFNGMS-LLVKDONJSA-N 1 0 241.335 0.451 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NCC2=CC[NH2+]CC2)C1 ZINC000333365401 134105072 /nfs/dbraw/zinc/10/50/72/134105072.db2.gz DRLLFYWTKMGTDI-NWDGAFQWSA-N 1 0 248.330 0.898 20 30 BCEDRO CO[C@H]1C[C@@H](C(=O)NCCCCC#N)[N@H+](C)C1 ZINC000330558003 134111193 /nfs/dbraw/zinc/11/11/93/134111193.db2.gz WYCADOTXLBIQBT-QWRGUYRKSA-N 1 0 239.319 0.516 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000333625118 134119748 /nfs/dbraw/zinc/11/97/48/134119748.db2.gz UXLSKPNDKHPBIR-AXFHLTTASA-N 1 0 242.344 0.845 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CC#N)[C@@H]2C1 ZINC000336318947 134143338 /nfs/dbraw/zinc/14/33/38/134143338.db2.gz AHDMXCQFPIFQTO-VHSXEESVSA-N 1 0 207.277 0.453 20 30 BCEDRO CN(C)C(=O)C[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000336327860 134143774 /nfs/dbraw/zinc/14/37/74/134143774.db2.gz YMAXLZNYRVMUKN-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](N2CCNCC2=O)C1 ZINC000336422370 134146886 /nfs/dbraw/zinc/14/68/86/134146886.db2.gz AXUKXVRIKLYWJN-LLVKDONJSA-N 1 0 223.320 0.069 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000352741109 134151883 /nfs/dbraw/zinc/15/18/83/134151883.db2.gz WBGWDEJDVXOBJX-SNVBAGLBSA-N 1 0 238.335 0.882 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@](C)(CO)C(C)C)C1=O ZINC000352890351 134157433 /nfs/dbraw/zinc/15/74/33/134157433.db2.gz CPYLGFGKTBIRPR-AAEUAGOBSA-N 1 0 240.347 0.770 20 30 BCEDRO C[NH+]=C(NCc1nc(C)no1)NC1CCCC1 ZINC000103906062 134159365 /nfs/dbraw/zinc/15/93/65/134159365.db2.gz KSIUGFMINVXRDD-UHFFFAOYSA-N 1 0 237.307 0.986 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000305089478 134159814 /nfs/dbraw/zinc/15/98/14/134159814.db2.gz OZLBXIAAVPZIOB-SRVKXCTJSA-N 1 0 240.347 0.899 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](C(N)=O)CC[C@H]1C ZINC000305089486 134159900 /nfs/dbraw/zinc/15/99/00/134159900.db2.gz OZLBXIAAVPZIOB-WOPDTQHZSA-N 1 0 240.347 0.899 20 30 BCEDRO C=CCOCC(=O)NCC1([NH+](C)C)CCC1 ZINC000353364567 134163376 /nfs/dbraw/zinc/16/33/76/134163376.db2.gz QRNIOPSAQADBSG-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000355561484 134173634 /nfs/dbraw/zinc/17/36/34/134173634.db2.gz DZLMFYIFBZXRCO-GVXVVHGQSA-N 1 0 240.347 0.912 20 30 BCEDRO C=CCOCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000355550695 134173845 /nfs/dbraw/zinc/17/38/45/134173845.db2.gz BMCCXRCSAZEJGY-LLVKDONJSA-N 1 0 226.320 0.645 20 30 BCEDRO C[C@@H]1C[C@@H](C)[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC000355733475 134174908 /nfs/dbraw/zinc/17/49/08/134174908.db2.gz AOOXRMYYMMBBQI-GMTAPVOTSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000356371458 134177981 /nfs/dbraw/zinc/17/79/81/134177981.db2.gz VRLXHPWAVCHSJV-IJLUTSLNSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCN(CC(F)(F)F)C(=O)[C@@H]([NH3+])COC ZINC000357119328 134182363 /nfs/dbraw/zinc/18/23/63/134182363.db2.gz OFGLDUPKDTWXQE-ZETCQYMHSA-N 1 0 240.225 0.537 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@H](C)C[NH+](C)C ZINC000358492163 134188820 /nfs/dbraw/zinc/18/88/20/134188820.db2.gz GAFKFGJXXDAOAL-LLVKDONJSA-N 1 0 243.351 0.781 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@]1(CO)CCOC1 ZINC000359583236 134195803 /nfs/dbraw/zinc/19/58/03/134195803.db2.gz OOMBCCDHAIONCV-RYUDHWBXSA-N 1 0 229.320 0.397 20 30 BCEDRO C[N@H+](CCCSCC#N)[C@@]1(CO)CCOC1 ZINC000359805882 134197355 /nfs/dbraw/zinc/19/73/55/134197355.db2.gz JUGIYFPYIOXOAN-LLVKDONJSA-N 1 0 244.360 0.716 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)CCCC#N ZINC000360654557 134201900 /nfs/dbraw/zinc/20/19/00/134201900.db2.gz VAZNAUYWAGYRHL-JTQLQIEISA-N 1 0 247.364 0.550 20 30 BCEDRO C[C@@H](CO)[N@@H+](CC(=O)NCC#N)CC1CCC1 ZINC000361493134 134205906 /nfs/dbraw/zinc/20/59/06/134205906.db2.gz PYRWGOKKKCCIAW-JTQLQIEISA-N 1 0 239.319 0.109 20 30 BCEDRO CC[N@H+](CC(=O)NCC#N)CC(C)(C)C ZINC000361519928 134206324 /nfs/dbraw/zinc/20/63/24/134206324.db2.gz RHDGKOZMQAKEKJ-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCO[C@H](C2CC2)C1 ZINC000362560249 134211930 /nfs/dbraw/zinc/21/19/30/134211930.db2.gz 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ZINC000372556101 134232097 /nfs/dbraw/zinc/23/20/97/134232097.db2.gz VLOSLBBZFJUPFV-UHFFFAOYSA-N 1 0 224.348 0.788 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)C2CC2)CC1 ZINC000372875569 134232804 /nfs/dbraw/zinc/23/28/04/134232804.db2.gz CVPSVVMEIHGVTG-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO CN1C[C@@H]2C[N@H+](CCCCC#N)CCN2C1=O ZINC000373233108 134233468 /nfs/dbraw/zinc/23/34/68/134233468.db2.gz VQGNDGHDERPNRH-LLVKDONJSA-N 1 0 236.319 0.732 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCC[C@]2(C(=O)OC)C1 ZINC000374647995 134237747 /nfs/dbraw/zinc/23/77/47/134237747.db2.gz POCOBBLFBAYBNL-JQWIXIFHSA-N 1 0 207.273 0.895 20 30 BCEDRO C=CCCC[N@@H+]1CCN2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000375874835 134240930 /nfs/dbraw/zinc/24/09/30/134240930.db2.gz RWLTVSZOGNLPJT-JTQLQIEISA-N 1 0 237.303 0.531 20 30 BCEDRO C=CCCC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000375982927 134241280 /nfs/dbraw/zinc/24/12/80/134241280.db2.gz AWRJWHKEJDOZGX-ZJUUUORDSA-N 1 0 210.277 0.152 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1CCC ZINC000305710052 134242200 /nfs/dbraw/zinc/24/22/00/134242200.db2.gz DWQLPOPAAOYERM-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](CC)CCO ZINC000123068023 134242477 /nfs/dbraw/zinc/24/24/77/134242477.db2.gz YFTZRFOZXAKVTL-LLVKDONJSA-N 1 0 241.335 0.309 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000376500463 134242495 /nfs/dbraw/zinc/24/24/95/134242495.db2.gz LBESJUDLIHVGJP-NWDGAFQWSA-N 1 0 237.347 0.315 20 30 BCEDRO CNC(=[NH2+])NC[C@@H]1COC2(CCCCC2)O1 ZINC000305769381 134242896 /nfs/dbraw/zinc/24/28/96/134242896.db2.gz JGNOOWUAMLFBTO-SECBINFHSA-N 1 0 227.308 0.596 20 30 BCEDRO CO/N=C/C(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000377540848 134243968 /nfs/dbraw/zinc/24/39/68/134243968.db2.gz KIWHYBFPDYLCKC-VSXLWIIGSA-N 1 0 239.319 0.705 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000170742144 134253281 /nfs/dbraw/zinc/25/32/81/134253281.db2.gz LDBIJPBRIRFOHO-LBPRGKRZSA-N 1 0 235.331 0.889 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)Nc1ccccn1 ZINC000170904998 134254854 /nfs/dbraw/zinc/25/48/54/134254854.db2.gz UHZNYOJDVOSUNN-SECBINFHSA-N 1 0 220.276 0.987 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ccnc(C)n1 ZINC000170909418 134254954 /nfs/dbraw/zinc/25/49/54/134254954.db2.gz UBINUXQQAXSAGV-QMMMGPOBSA-N 1 0 237.307 0.224 20 30 BCEDRO CC[NH+](CC)CCN(CC#N)CCOC ZINC000176537355 134292885 /nfs/dbraw/zinc/29/28/85/134292885.db2.gz XLZGANLGDXIIFR-UHFFFAOYSA-N 1 0 213.325 0.800 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@H]1C ZINC000177913516 134301652 /nfs/dbraw/zinc/30/16/52/134301652.db2.gz OIZYEJWNJNSLSF-VHSXEESVSA-N 1 0 239.319 0.729 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000180038234 134325742 /nfs/dbraw/zinc/32/57/42/134325742.db2.gz ROCOYSRDSLMSFE-JTQLQIEISA-N 1 0 236.319 0.856 20 30 BCEDRO C=C(C)C[N@@H+](C)CCC(=O)NCC(=O)OC ZINC000181278217 134334894 /nfs/dbraw/zinc/33/48/94/134334894.db2.gz RMXYMPNOJJZGQY-UHFFFAOYSA-N 1 0 228.292 0.174 20 30 BCEDRO C[C@@H](C#N)N1CCC[N@H+](Cc2cnn(C)c2)CC1 ZINC000181848109 134340224 /nfs/dbraw/zinc/34/02/24/134340224.db2.gz NUXMSVUUISCAQC-LBPRGKRZSA-N 1 0 247.346 0.840 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000226070326 134358678 /nfs/dbraw/zinc/35/86/78/134358678.db2.gz GSUPLHRBDQGVTE-BBBLOLIVSA-N 1 0 245.348 0.110 20 30 BCEDRO C[C@@H]1CN(C)CCN1C(=O)C1(C#N)CCC1 ZINC000227639662 134389178 /nfs/dbraw/zinc/38/91/78/134389178.db2.gz GFGKTIKSTRJJRK-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO CC[C@@H]1CC[C@H](C)[N@@H+]1CC(=O)NCC#N ZINC000408092212 134391208 /nfs/dbraw/zinc/39/12/08/134391208.db2.gz RPTQKMRZUVAZKQ-VHSXEESVSA-N 1 0 209.293 0.889 20 30 BCEDRO CN1C[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)CCC1=O ZINC000309960836 134494611 /nfs/dbraw/zinc/49/46/11/134494611.db2.gz LAWNDFIWVDTRFR-GARJFASQSA-N 1 0 221.304 0.889 20 30 BCEDRO COC[C@H](O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000309044087 134598254 /nfs/dbraw/zinc/59/82/54/134598254.db2.gz NEBDMBIXRAKSRZ-HBNTYKKESA-N 1 0 212.293 0.666 20 30 BCEDRO CC[NH+](CC)[C@@H]1CCN(C(=O)CC#N)C1 ZINC000041569421 134605479 /nfs/dbraw/zinc/60/54/79/134605479.db2.gz LBFQAPFAVQSVSE-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO C[C@@H]1CC[N@H+](CCOCCC#N)[C@@H]1CO ZINC000339113347 134606278 /nfs/dbraw/zinc/60/62/78/134606278.db2.gz CBQRTEZJRFCNBK-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CC[N@H+]1CCCC[C@H]1CCNS(C)(=O)=O ZINC000052134086 134697087 /nfs/dbraw/zinc/69/70/87/134697087.db2.gz RKIWILUJFKILBY-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCNC(=O)[C@]1([NH3+])[C@@H]2CCCO[C@H]2C1(C)C ZINC000228889098 134763827 /nfs/dbraw/zinc/76/38/27/134763827.db2.gz RAWTVJDSPDDXOT-GIPNMCIBSA-N 1 0 238.331 0.821 20 30 BCEDRO COC(=O)[C@@H](C)CNC(=[NH2+])Nc1ccccn1 ZINC000170914556 134880038 /nfs/dbraw/zinc/88/00/38/134880038.db2.gz JNFOVGPGZSDNID-QMMMGPOBSA-N 1 0 236.275 0.617 20 30 BCEDRO N#CCCCC[NH2+][C@@H](CO)[C@@H]1CCCO1 ZINC000336734442 134916827 /nfs/dbraw/zinc/91/68/27/134916827.db2.gz NCSKLQUQTRWXFO-QWRGUYRKSA-N 1 0 212.293 0.810 20 30 BCEDRO CNC(NCC[C@H]1c2ccccc2NC1=O)=[NH+]C ZINC000195523251 134962211 /nfs/dbraw/zinc/96/22/11/134962211.db2.gz OIXZUDRIYACBGA-JTQLQIEISA-N 1 0 246.314 0.907 20 30 BCEDRO CNC(=[NH2+])NCc1cccc(N2CCCC2=O)c1 ZINC000195522439 134962624 /nfs/dbraw/zinc/96/26/24/134962624.db2.gz WDCSWNGUVYUNGC-UHFFFAOYSA-N 1 0 246.314 0.848 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CCOC)C2CC2)C1=O ZINC000337127606 135000140 /nfs/dbraw/zinc/00/01/40/135000140.db2.gz GYFRHOCCRXHRCL-LBPRGKRZSA-N 1 0 238.331 0.884 20 30 BCEDRO C[C@@H](C#N)CN(C)CCN1CCOC[C@@H]1C ZINC000337122847 135000290 /nfs/dbraw/zinc/00/02/90/135000290.db2.gz BTRSYHDBOGHRHA-RYUDHWBXSA-N 1 0 225.336 0.799 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](OC)C2)C1=O ZINC000337136970 135001958 /nfs/dbraw/zinc/00/19/58/135001958.db2.gz NPSNZWZXNOTUEG-VXGBXAGGSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C[C@@H](C)O)C(C)C)C1=O ZINC000337173956 135002459 /nfs/dbraw/zinc/00/24/59/135002459.db2.gz HMSUBPNLPXWGQP-NEPJUHHUSA-N 1 0 240.347 0.865 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@H](O)C2)C1=O ZINC000337170748 135002550 /nfs/dbraw/zinc/00/25/50/135002550.db2.gz DDAAIHOADSYMLQ-SDDRHHMPSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@H]([NH2+]C2(CO)CCCC2)C1=O ZINC000337177288 135003116 /nfs/dbraw/zinc/00/31/16/135003116.db2.gz JNTVYODAJNKTTR-NSHDSACASA-N 1 0 238.331 0.668 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H](CCO)C(C)C)C1=O ZINC000337212988 135005034 /nfs/dbraw/zinc/00/50/34/135005034.db2.gz WADRECBFYZZZDM-NEPJUHHUSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)c2cn[nH]c2)C1=O ZINC000337198999 135005207 /nfs/dbraw/zinc/00/52/07/135005207.db2.gz DNQAAPUXMMSPKS-MWLCHTKSSA-N 1 0 234.303 0.847 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@]2(C)CCO[C@H]2C)C1=O ZINC000337213167 135005261 /nfs/dbraw/zinc/00/52/61/135005261.db2.gz WDLPEFIKVYDWPD-GMXVVIOVSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](CCO)C2CCC2)C1=O ZINC000337203870 135005368 /nfs/dbraw/zinc/00/53/68/135005368.db2.gz IEXDYLOLRFKMHO-GFCCVEGCSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@]2(C)CCO[C@@H]2C)C1=O ZINC000337213170 135005751 /nfs/dbraw/zinc/00/57/51/135005751.db2.gz WDLPEFIKVYDWPD-NTZNESFSSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CCNC(=O)CN(C)CCC[NH+]1CCCC1 ZINC000337285059 135010863 /nfs/dbraw/zinc/01/08/63/135010863.db2.gz ZPSNQXRBKWKNKA-UHFFFAOYSA-N 1 0 239.363 0.706 20 30 BCEDRO C[C@H]1CC[C@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC000076150237 135014827 /nfs/dbraw/zinc/01/48/27/135014827.db2.gz ZLHFVYXVINNZLU-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338385363 135036399 /nfs/dbraw/zinc/03/63/99/135036399.db2.gz UOWJHZWILBUXJY-SDDRHHMPSA-N 1 0 227.304 0.413 20 30 BCEDRO C=CCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000338569988 135041241 /nfs/dbraw/zinc/04/12/41/135041241.db2.gz XZJRDSDAQCFOPC-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCOCCN1CC[NH+](CCOC)CC1 ZINC000338900776 135046854 /nfs/dbraw/zinc/04/68/54/135046854.db2.gz OWAMAZMOHTYGJD-UHFFFAOYSA-N 1 0 228.336 0.453 20 30 BCEDRO C[C@@H](C#N)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000366212767 135048887 /nfs/dbraw/zinc/04/88/87/135048887.db2.gz WPNJRZCIPCYKLK-WCBMZHEXSA-N 1 0 207.277 0.356 20 30 BCEDRO N#CCCOCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000338963794 135050459 /nfs/dbraw/zinc/05/04/59/135050459.db2.gz YIFHUVSKVSDJDY-NSHDSACASA-N 1 0 239.319 0.647 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@@H](C)C[S@](C)=O ZINC000339082357 135057170 /nfs/dbraw/zinc/05/71/70/135057170.db2.gz CYPQUQKZYBAPFS-HZMBPMFUSA-N 1 0 219.350 0.888 20 30 BCEDRO C[N@H+](CCOCCC#N)CC1(O)CCC1 ZINC000339088116 135057600 /nfs/dbraw/zinc/05/76/00/135057600.db2.gz NRHFRQUYVQFMCT-UHFFFAOYSA-N 1 0 212.293 0.763 20 30 BCEDRO N#CCCOCC[N@H+]1C[C@@H](O)C2(CC2)C1 ZINC000339094755 135058098 /nfs/dbraw/zinc/05/80/98/135058098.db2.gz WCYCFWQTNSGUJV-SNVBAGLBSA-N 1 0 210.277 0.373 20 30 BCEDRO C=CCOCC[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000339089662 135058277 /nfs/dbraw/zinc/05/82/77/135058277.db2.gz CLBNQGSHYOMOAC-UHFFFAOYSA-N 1 0 235.287 0.743 20 30 BCEDRO C[C@@]1(C(N)=O)CCCC[N@@H+]1CCOCCC#N ZINC000339090279 135058563 /nfs/dbraw/zinc/05/85/63/135058563.db2.gz VNTGOTXESTYAQM-LBPRGKRZSA-N 1 0 239.319 0.647 20 30 BCEDRO C[C@@H]1C(=O)N(C)CCN1CCOCCC#N ZINC000339098771 135060043 /nfs/dbraw/zinc/06/00/43/135060043.db2.gz HCIHGASEWBNNKQ-SNVBAGLBSA-N 1 0 225.292 0.079 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CCOCCC#N ZINC000339124835 135060146 /nfs/dbraw/zinc/06/01/46/135060146.db2.gz PUYAEHMMQQMHBF-GHMZBOCLSA-N 1 0 239.319 0.421 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000251021267 135062027 /nfs/dbraw/zinc/06/20/27/135062027.db2.gz DIYZZXMJRNIOCY-UWVGGRQHSA-N 1 0 245.348 0.254 20 30 BCEDRO C=CCOCC[N@H+]1CCC[C@@](F)(CO)C1 ZINC000339198770 135065221 /nfs/dbraw/zinc/06/52/21/135065221.db2.gz NQEHIQDTIUMUFS-NSHDSACASA-N 1 0 217.284 0.985 20 30 BCEDRO C=CCOCC[N@H+]1CCOC[C@@H]1CCOC ZINC000339208510 135066450 /nfs/dbraw/zinc/06/64/50/135066450.db2.gz JGYSNKWDKUKDGT-LBPRGKRZSA-N 1 0 229.320 0.926 20 30 BCEDRO C=CCOCC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000339196353 135066846 /nfs/dbraw/zinc/06/68/46/135066846.db2.gz AJIKKUUPJKCUIE-GHMZBOCLSA-N 1 0 215.293 0.007 20 30 BCEDRO C=CCOCC(=O)N1[C@@H](C)C[NH+](C)C[C@@H]1C ZINC000339475674 135074143 /nfs/dbraw/zinc/07/41/43/135074143.db2.gz ZTTGDZNWHNFSKY-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCSCC1 ZINC000332026192 135074305 /nfs/dbraw/zinc/07/43/05/135074305.db2.gz RJELYZUJTJTSKJ-JTQLQIEISA-N 1 0 241.360 0.973 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366398559 135074672 /nfs/dbraw/zinc/07/46/72/135074672.db2.gz CJJFHTCBJXSRHT-NNYUYHANSA-N 1 0 211.305 0.484 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](CC)[C@@H](C)CO ZINC000339628137 135076578 /nfs/dbraw/zinc/07/65/78/135076578.db2.gz REWCFEQMSFLORU-NSHDSACASA-N 1 0 241.335 0.451 20 30 BCEDRO N#CCN(CC#N)C(=O)c1ccc2c[nH+]cn2c1 ZINC000339818411 135083265 /nfs/dbraw/zinc/08/32/65/135083265.db2.gz AQUTVUPVNRWVCV-UHFFFAOYSA-N 1 0 239.238 0.824 20 30 BCEDRO C=CCNC(=O)NCCC[N@@H+](C)CCOC ZINC000077929883 135084452 /nfs/dbraw/zinc/08/44/52/135084452.db2.gz XULRKRDACRKGKJ-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000339934172 135089375 /nfs/dbraw/zinc/08/93/75/135089375.db2.gz QDSJBCCLSKDZEF-QWRGUYRKSA-N 1 0 238.335 0.882 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)NC2(C#N)CCC2)C1 ZINC000336469813 135090432 /nfs/dbraw/zinc/09/04/32/135090432.db2.gz YJRGNGDTRAIXHP-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000252520244 135092422 /nfs/dbraw/zinc/09/24/22/135092422.db2.gz KJAGUKUXIZCUHQ-OPRDCNLKSA-N 1 0 209.293 0.745 20 30 BCEDRO CN(CC#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000339981968 135092518 /nfs/dbraw/zinc/09/25/18/135092518.db2.gz QJEPXVGJQDBSFR-SECBINFHSA-N 1 0 227.333 0.406 20 30 BCEDRO CN1CC[NH+]=C1NC[C@H](O)c1ccccc1 ZINC000261570151 135109658 /nfs/dbraw/zinc/10/96/58/135109658.db2.gz GTJKQZXKDJXYSQ-NSHDSACASA-N 1 0 219.288 0.611 20 30 BCEDRO COCCNC(=[NH2+])NCc1cnc(C)s1 ZINC000261705686 135111207 /nfs/dbraw/zinc/11/12/07/135111207.db2.gz DAZJJQUHYRVFFU-UHFFFAOYSA-N 1 0 228.321 0.502 20 30 BCEDRO CNC(NCc1cn2ccc(C)cc2n1)=[NH+]C ZINC000261709282 135111361 /nfs/dbraw/zinc/11/13/61/135111361.db2.gz DISMQWKIHCEKKF-UHFFFAOYSA-N 1 0 231.303 0.938 20 30 BCEDRO C[NH+]=C(NCC(F)F)N(C)Cc1ccon1 ZINC000261727731 135111598 /nfs/dbraw/zinc/11/15/98/135111598.db2.gz JCWXHPSPZKYCPB-UHFFFAOYSA-N 1 0 232.234 0.947 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCn1ccnc1 ZINC000261951497 135113174 /nfs/dbraw/zinc/11/31/74/135113174.db2.gz HMNXDLORCFBBSJ-VIFPVBQESA-N 1 0 209.297 0.586 20 30 BCEDRO C[NH+]=C(NCc1nnc(C)n1C)N[C@@H]1C[C@@H]1C ZINC000261945110 135113240 /nfs/dbraw/zinc/11/32/40/135113240.db2.gz FQIXOHQIHKEWRE-IONNQARKSA-N 1 0 236.323 0.197 20 30 BCEDRO [NH2+]=C(NC[C@H]1CC=CCC1)N1CCOCC1 ZINC000261991416 135113616 /nfs/dbraw/zinc/11/36/16/135113616.db2.gz LZOVXNARZFNODO-NSHDSACASA-N 1 0 223.320 0.990 20 30 BCEDRO CN/C(=[NH+]/C)N1CC[C@H](Oc2ccccn2)C1 ZINC000262007638 135114068 /nfs/dbraw/zinc/11/40/68/135114068.db2.gz VZGRBRAQCBPXQG-JTQLQIEISA-N 1 0 234.303 0.740 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1cnc(C)s1 ZINC000262008928 135114627 /nfs/dbraw/zinc/11/46/27/135114627.db2.gz SOJMXBGIUFNUMD-ZETCQYMHSA-N 1 0 242.348 0.891 20 30 BCEDRO CNC(=[NH2+])N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262015725 135114864 /nfs/dbraw/zinc/11/48/64/135114864.db2.gz XQCKTJZDBCGNEZ-UWVGGRQHSA-N 1 0 221.308 0.711 20 30 BCEDRO CN/C(=[NH+]/C)N1CC[C@@H](C)[C@@H](n2ccnc2)C1 ZINC000262000372 135114867 /nfs/dbraw/zinc/11/48/67/135114867.db2.gz UFTUZDMYJRULLV-MNOVXSKESA-N 1 0 235.335 0.971 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cnn(CC)c1 ZINC000262102519 135115418 /nfs/dbraw/zinc/11/54/18/135115418.db2.gz JANDEFBVPSIWED-UHFFFAOYSA-N 1 0 207.281 0.493 20 30 BCEDRO [NH2+]=C(NCc1cccs1)N1CCOCC1 ZINC000262165127 135116586 /nfs/dbraw/zinc/11/65/86/135116586.db2.gz AGOFTCFOZPFBKT-UHFFFAOYSA-N 1 0 225.317 0.895 20 30 BCEDRO C[NH+]=C(NCCn1ccnc1C)N1CCCC1 ZINC000262185675 135116627 /nfs/dbraw/zinc/11/66/27/135116627.db2.gz XNGKIXOYESQWAG-UHFFFAOYSA-N 1 0 235.335 0.863 20 30 BCEDRO CNC(NCc1ccc(C(=O)OC)o1)=[NH+]C ZINC000262172682 135117048 /nfs/dbraw/zinc/11/70/48/135117048.db2.gz DJJJZJGZBKJDEB-UHFFFAOYSA-N 1 0 225.248 0.361 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1cnnn1C ZINC000262333107 135117534 /nfs/dbraw/zinc/11/75/34/135117534.db2.gz WBEJRWLQUCIBLK-ZETCQYMHSA-N 1 0 210.285 0.018 20 30 BCEDRO CN(C)C(=[NH+]Cc1cncn1C)N(C)C ZINC000262291245 135117648 /nfs/dbraw/zinc/11/76/48/135117648.db2.gz BSKPVBKZFSGAPW-UHFFFAOYSA-N 1 0 209.297 0.399 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H]1COc2ccccc21 ZINC000262276912 135117699 /nfs/dbraw/zinc/11/76/99/135117699.db2.gz JWRRQBQJDAJVJK-SNVBAGLBSA-N 1 0 249.314 0.713 20 30 BCEDRO CN(C)C(=[NH+]CC1=CCCOC1)N(C)C ZINC000262336142 135117963 /nfs/dbraw/zinc/11/79/63/135117963.db2.gz WXMGEKCMGBGLBN-UHFFFAOYSA-N 1 0 211.309 0.812 20 30 BCEDRO C[NH+]=C(NCCn1cc(C)cn1)NC1CC1 ZINC000262307420 135118160 /nfs/dbraw/zinc/11/81/60/135118160.db2.gz RQLGDZRSAXJGFL-UHFFFAOYSA-N 1 0 221.308 0.519 20 30 BCEDRO Cc1cccc([C@@H](O)CNC2=[NH+]CCN2C)c1 ZINC000262475923 135118826 /nfs/dbraw/zinc/11/88/26/135118826.db2.gz CBVMCIVBOPGWDM-LBPRGKRZSA-N 1 0 233.315 0.919 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1COC2(CCCC2)O1 ZINC000262422624 135118832 /nfs/dbraw/zinc/11/88/32/135118832.db2.gz RYXRUFMOERSDMQ-JTQLQIEISA-N 1 0 239.319 0.762 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000262509123 135118847 /nfs/dbraw/zinc/11/88/47/135118847.db2.gz LUWNKJHTZBPMDI-ZETCQYMHSA-N 1 0 238.291 0.581 20 30 BCEDRO CCc1nc(CCNC(=[NH2+])NC(C)(C)C)no1 ZINC000262540946 135119704 /nfs/dbraw/zinc/11/97/04/135119704.db2.gz RTRKAVHHNWTUTL-UHFFFAOYSA-N 1 0 239.323 0.877 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCn2cnc3ccccc32)N1 ZINC000262630220 135119706 /nfs/dbraw/zinc/11/97/06/135119706.db2.gz FMNBDCVSYGMYIC-JTQLQIEISA-N 1 0 243.314 0.974 20 30 BCEDRO [NH2+]=C(N[C@@H]1COc2ccccc21)N1CCOCC1 ZINC000262632865 135119751 /nfs/dbraw/zinc/11/97/51/135119751.db2.gz FQMAUPUMIJCMTB-LLVKDONJSA-N 1 0 247.298 0.767 20 30 BCEDRO CCc1nc(CCNC2=[NH+]C[C@@H](C)N2)no1 ZINC000262657112 135120376 /nfs/dbraw/zinc/12/03/76/135120376.db2.gz LWTYQDWAKMDLOC-SSDOTTSWSA-N 1 0 223.280 0.112 20 30 BCEDRO CC(=O)Nc1ccc(CNC2=[NH+]CCN2C)cn1 ZINC000262660558 135120712 /nfs/dbraw/zinc/12/07/12/135120712.db2.gz MWIMBFNMSCLXFQ-UHFFFAOYSA-N 1 0 247.302 0.431 20 30 BCEDRO COc1ccccc1[C@H](O)CNC1=[NH+]C[C@@H](C)N1 ZINC000262669679 135120726 /nfs/dbraw/zinc/12/07/26/135120726.db2.gz QKOKBHCSJKUHJK-MWLCHTKSSA-N 1 0 249.314 0.666 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@]2(O)CCc3ccccc32)N1 ZINC000262670018 135120727 /nfs/dbraw/zinc/12/07/27/135120727.db2.gz QOFVNMBVAMDUAQ-IINYFYTJSA-N 1 0 245.326 0.758 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2cn3c(n2)CCCC3)N1 ZINC000262644622 135120731 /nfs/dbraw/zinc/12/07/31/135120731.db2.gz ISVJHADJETWRRO-VIFPVBQESA-N 1 0 233.319 0.657 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2ccc(C(N)=O)cc2)N1 ZINC000262663439 135120741 /nfs/dbraw/zinc/12/07/41/135120741.db2.gz NSIFKEHDLQCJGP-MRVPVSSYSA-N 1 0 232.287 0.223 20 30 BCEDRO C=CCNC(NC[C@H]1CCCCO1)=[NH+]C ZINC000263256451 135126144 /nfs/dbraw/zinc/12/61/44/135126144.db2.gz QUSDXKNDGZQQKH-SNVBAGLBSA-N 1 0 211.309 0.907 20 30 BCEDRO C[NH+]=C(NCCn1cncn1)N[C@H](C)C(C)C ZINC000263272827 135126217 /nfs/dbraw/zinc/12/62/17/135126217.db2.gz XLERXTYBNGTWMO-SNVBAGLBSA-N 1 0 238.339 0.488 20 30 BCEDRO CNC(=[NH2+])NCCc1cc(OC)ccc1OC ZINC000263972637 135129461 /nfs/dbraw/zinc/12/94/61/135129461.db2.gz ONKOXNIPPKEBMU-UHFFFAOYSA-N 1 0 237.303 0.780 20 30 BCEDRO C[NH+]=C(NCCCc1cnn(C)c1)NC1CC1 ZINC000264023552 135130277 /nfs/dbraw/zinc/13/02/77/135130277.db2.gz ALQYYINSJONBNM-UHFFFAOYSA-N 1 0 235.335 0.680 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCn1ccnc1C ZINC000264068701 135131107 /nfs/dbraw/zinc/13/11/07/135131107.db2.gz CIKHQINPVPVCCC-SECBINFHSA-N 1 0 239.323 0.131 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NC[C@H](C)CO ZINC000264061912 135131128 /nfs/dbraw/zinc/13/11/28/135131128.db2.gz PQIJEOMKTHPAEM-VIFPVBQESA-N 1 0 225.292 0.573 20 30 BCEDRO NC(=O)c1ccc(CNC(=[NH2+])NC2CC2)cc1 ZINC000264072386 135131290 /nfs/dbraw/zinc/13/12/90/135131290.db2.gz GNPHTERIKBUMEY-UHFFFAOYSA-N 1 0 232.287 0.352 20 30 BCEDRO [NH2+]=C(NCc1ccc(CO)c(F)c1)NC1CC1 ZINC000264079987 135131619 /nfs/dbraw/zinc/13/16/19/135131619.db2.gz HBFNDDOFVVKARN-UHFFFAOYSA-N 1 0 237.278 0.885 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@H](O)c1ccc(F)cc1 ZINC000264078839 135131922 /nfs/dbraw/zinc/13/19/22/135131922.db2.gz GRQWWDLCIXXJDY-SNVBAGLBSA-N 1 0 225.267 0.735 20 30 BCEDRO [NH2+]=C(NC[C@@H](O)c1ccccc1F)NC1CC1 ZINC000264092795 135132407 /nfs/dbraw/zinc/13/24/07/135132407.db2.gz LKACYOFDBDJSSJ-LLVKDONJSA-N 1 0 237.278 0.926 20 30 BCEDRO COCCNC(=[NH2+])NCCCn1ccnc1C ZINC000264086263 135132455 /nfs/dbraw/zinc/13/24/55/135132455.db2.gz JKKJXTFLVSSITF-UHFFFAOYSA-N 1 0 239.323 0.132 20 30 BCEDRO CCNC(=[NH2+])NCCNC(=O)c1cccc(C)c1 ZINC000264097043 135133211 /nfs/dbraw/zinc/13/32/11/135133211.db2.gz MYVKVDHXZDYGDV-UHFFFAOYSA-N 1 0 248.330 0.649 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCCn1cccn1 ZINC000264096524 135133356 /nfs/dbraw/zinc/13/33/56/135133356.db2.gz MELXZKDBAQRSRY-SNVBAGLBSA-N 1 0 223.324 0.976 20 30 BCEDRO C=CCNC(=[NH2+])NCCC(=O)N[C@@H](C)CC ZINC000264108589 135133596 /nfs/dbraw/zinc/13/35/96/135133596.db2.gz QFJFIFYNMGHCAJ-VIFPVBQESA-N 1 0 226.324 0.382 20 30 BCEDRO Cc1ccc([C@H](O)CNC(=[NH2+])N(C)C)cc1 ZINC000264114876 135133609 /nfs/dbraw/zinc/13/36/09/135133609.db2.gz SCZYINJNDJYAOW-LLVKDONJSA-N 1 0 221.304 0.905 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1cnn(C)c1 ZINC000264112562 135133616 /nfs/dbraw/zinc/13/36/16/135133616.db2.gz RIZUNRCVUYKYTO-QMMMGPOBSA-N 1 0 209.297 0.623 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)c1ccccc1OC ZINC000264118715 135134154 /nfs/dbraw/zinc/13/41/54/135134154.db2.gz UGTZWXAHUYJQPO-VIFPVBQESA-N 1 0 223.276 0.263 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccc(O)cc1 ZINC000264141246 135135273 /nfs/dbraw/zinc/13/52/73/135135273.db2.gz WLOPCSTXDPRNCQ-UHFFFAOYSA-N 1 0 223.276 0.443 20 30 BCEDRO CNC(=[NH2+])NCCc1nc2ccccc2[nH]1 ZINC000264144613 135135787 /nfs/dbraw/zinc/13/57/87/135135787.db2.gz XJXMLLJPBONFDU-UHFFFAOYSA-N 1 0 217.276 0.640 20 30 BCEDRO COCCNC(=[NH2+])NCc1cccc(O)c1 ZINC000264145970 135135796 /nfs/dbraw/zinc/13/57/96/135135796.db2.gz XVEZUKAEPAMNHU-UHFFFAOYSA-N 1 0 223.276 0.443 20 30 BCEDRO CN(C)C(=[NH+]CCCc1cnn(C)c1)N(C)C ZINC000264269603 135137066 /nfs/dbraw/zinc/13/70/66/135137066.db2.gz LIFXRLKTLCSFSH-UHFFFAOYSA-N 1 0 237.351 0.832 20 30 BCEDRO CCNC(=[NH2+])NCC(=O)N1CCc2ccccc21 ZINC000264257675 135137122 /nfs/dbraw/zinc/13/71/22/135137122.db2.gz IKEPPDIVLNEBMZ-UHFFFAOYSA-N 1 0 246.314 0.500 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000259821526 135144368 /nfs/dbraw/zinc/14/43/68/135144368.db2.gz DHRVPQQNUVIRQS-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000259821552 135144740 /nfs/dbraw/zinc/14/47/40/135144740.db2.gz DHRVPQQNUVIRQS-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C1CC[NH+](C)CC1 ZINC000259929421 135145572 /nfs/dbraw/zinc/14/55/72/135145572.db2.gz KHORWTRJVYLYHM-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N2CCSC[C@H]2C#N)C1 ZINC000259950825 135145947 /nfs/dbraw/zinc/14/59/47/135145947.db2.gz RVTUTHODVRFASF-VHSXEESVSA-N 1 0 239.344 0.406 20 30 BCEDRO CNC(NCC[C@@H](O)c1ccccc1)=[NH+]C ZINC000266076532 135147766 /nfs/dbraw/zinc/14/77/66/135147766.db2.gz APPTYUXVGZGGSU-LLVKDONJSA-N 1 0 221.304 0.905 20 30 BCEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC#N ZINC000260151802 135147959 /nfs/dbraw/zinc/14/79/59/135147959.db2.gz SSCBIJOZHVHFJO-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC#Cc1ccccc1 ZINC000267383878 135153454 /nfs/dbraw/zinc/15/34/54/135153454.db2.gz BGCIZVQNKHYPBF-LBPRGKRZSA-N 1 0 245.326 0.977 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCc1ccncc1 ZINC000267455407 135154712 /nfs/dbraw/zinc/15/47/12/135154712.db2.gz SPTKNGFPKMJPMA-SNVBAGLBSA-N 1 0 236.319 0.563 20 30 BCEDRO C[C@](O)(CNC(N)=[NH2+])c1ccc(F)cc1F ZINC000267466832 135154763 /nfs/dbraw/zinc/15/47/63/135154763.db2.gz WQTQLRIYOVESPA-JTQLQIEISA-N 1 0 229.230 0.446 20 30 BCEDRO NC(=[NH2+])NCCCN1c2ccccc2OCC1=O ZINC000267461385 135155205 /nfs/dbraw/zinc/15/52/05/135155205.db2.gz VETBAWKXWDIVPZ-UHFFFAOYSA-N 1 0 248.286 0.076 20 30 BCEDRO Cc1cnn(CCNC2=[NH+]C[C@H](C)N2)c1 ZINC000261529295 135155747 /nfs/dbraw/zinc/15/57/47/135155747.db2.gz AOBOQBABDYGIQQ-VIFPVBQESA-N 1 0 207.281 0.129 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000268088319 135157062 /nfs/dbraw/zinc/15/70/62/135157062.db2.gz RZVZMDHJPSEHHG-NSHDSACASA-N 1 0 241.335 0.662 20 30 BCEDRO CCNC(=[NH2+])NCCCc1ccccn1 ZINC000269402935 135165724 /nfs/dbraw/zinc/16/57/24/135165724.db2.gz VHKXSJCWEJQOQW-UHFFFAOYSA-N 1 0 206.293 0.938 20 30 BCEDRO CCN(CCC#N)C(=O)/C=C/C[NH+](C)C ZINC000269612335 135166322 /nfs/dbraw/zinc/16/63/22/135166322.db2.gz FLTSNDWCXZKDEY-FNORWQNLSA-N 1 0 209.293 0.866 20 30 BCEDRO C=CCCOCCNC(=[NH2+])N[C@H](C)COC ZINC000270152395 135169369 /nfs/dbraw/zinc/16/93/69/135169369.db2.gz VTLBIHAANVWXDT-SNVBAGLBSA-N 1 0 229.324 0.518 20 30 BCEDRO Cc1nccn1CCNC(=[NH2+])NC1CC1 ZINC000261535377 135169627 /nfs/dbraw/zinc/16/96/27/135169627.db2.gz OIUCPPNUQGUYQB-UHFFFAOYSA-N 1 0 207.281 0.258 20 30 BCEDRO CCNC(=[NH2+])NC[C@](C)(O)c1cccs1 ZINC000270120374 135170101 /nfs/dbraw/zinc/17/01/01/135170101.db2.gz MOLRDZKIFUSXNK-JTQLQIEISA-N 1 0 227.333 0.880 20 30 BCEDRO C[C@H]1C[NH+]=C(NCC2(O)CCCCC2)N1 ZINC000261536284 135171162 /nfs/dbraw/zinc/17/11/62/135171162.db2.gz RBPCULXFIFRSPU-VIFPVBQESA-N 1 0 211.309 0.619 20 30 BCEDRO CO[C@H]1C[C@H](NC(=[NH2+])NC2CC2)C1(C)C ZINC000261536849 135173241 /nfs/dbraw/zinc/17/32/41/135173241.db2.gz TYKSGJZQGVUKEK-IUCAKERBSA-N 1 0 211.309 0.867 20 30 BCEDRO CO[C@](C)(CNC1=[NH+]C[C@@H](C)N1)C1CC1 ZINC000261538557 135176193 /nfs/dbraw/zinc/17/61/93/135176193.db2.gz YNDRSVGFAVYHLQ-LDYMZIIASA-N 1 0 211.309 0.739 20 30 BCEDRO Cc1c(CNC2=[NH+]C[C@@H](C)N2)cnn1C ZINC000261538798 135177448 /nfs/dbraw/zinc/17/74/48/135177448.db2.gz ZJDZNTLIPOTQJM-SSDOTTSWSA-N 1 0 207.281 0.166 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@H](C)C[NH+](C)C ZINC000293928876 135184300 /nfs/dbraw/zinc/18/43/00/135184300.db2.gz TYAYOMLSDINGGR-JQWIXIFHSA-N 1 0 228.336 0.627 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000261545215 135187053 /nfs/dbraw/zinc/18/70/53/135187053.db2.gz JQPRATPYFOENEJ-NXEZZACHSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000261555419 135195174 /nfs/dbraw/zinc/19/51/74/135195174.db2.gz UXEZQMWTIGKRPM-VHSXEESVSA-N 1 0 232.349 0.622 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000261555417 135195630 /nfs/dbraw/zinc/19/56/30/135195630.db2.gz UXEZQMWTIGKRPM-NXEZZACHSA-N 1 0 232.349 0.622 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000261555799 135196062 /nfs/dbraw/zinc/19/60/62/135196062.db2.gz VIXCBJOCTNCLNH-SNVBAGLBSA-N 1 0 212.293 0.257 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000261556491 135196693 /nfs/dbraw/zinc/19/66/93/135196693.db2.gz QUUFPHLMOWDHEW-ZDUSSCGKSA-N 1 0 238.331 0.813 20 30 BCEDRO C=CC1CCN(C(=O)[C@H](C[NH3+])OC)CC1 ZINC000261563578 135205003 /nfs/dbraw/zinc/20/50/03/135205003.db2.gz BYLSKIXQWTYPOB-JTQLQIEISA-N 1 0 212.293 0.385 20 30 BCEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000121359039 135222954 /nfs/dbraw/zinc/22/29/54/135222954.db2.gz ODBSKJQXUFAIRW-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCNC(=O)[C@H](C)NCC1([NH3+])CCC1 ZINC000261582368 135223143 /nfs/dbraw/zinc/22/31/43/135223143.db2.gz OGPWHVQMRKGQDZ-VIFPVBQESA-N 1 0 211.309 0.148 20 30 BCEDRO C=CCN(C[C@H](C)[NH3+])[C@H]1CCS(=O)(=O)C1 ZINC000261586328 135227865 /nfs/dbraw/zinc/22/78/65/135227865.db2.gz RAYPNHHCZHKQFH-UWVGGRQHSA-N 1 0 232.349 0.009 20 30 BCEDRO CC#CCN(C)C(=O)[C@H]1C[N@@H+](C(C)C)CCO1 ZINC000341002215 135232010 /nfs/dbraw/zinc/23/20/10/135232010.db2.gz DANWAVQWAKBACB-GFCCVEGCSA-N 1 0 238.331 0.577 20 30 BCEDRO CC#CCN(C)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000341022108 135233216 /nfs/dbraw/zinc/23/32/16/135233216.db2.gz DFUFWKAMOOYEAN-NSHDSACASA-N 1 0 240.372 0.905 20 30 BCEDRO CC#CCN(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000341017736 135233247 /nfs/dbraw/zinc/23/32/47/135233247.db2.gz IZWFVOWIQMSIKB-LBPRGKRZSA-N 1 0 238.331 0.436 20 30 BCEDRO C[NH+]=C(NCC1CC1)N(C)C[C@H]1CCOC1 ZINC000261632154 135241851 /nfs/dbraw/zinc/24/18/51/135241851.db2.gz JSIUNOGPYOXACB-LLVKDONJSA-N 1 0 225.336 0.940 20 30 BCEDRO CNC(=[NH2+])N1CCN([C@H](C)C(F)(F)F)CC1 ZINC000261654359 135242982 /nfs/dbraw/zinc/24/29/82/135242982.db2.gz AQEZFRYCVWQDOW-SSDOTTSWSA-N 1 0 238.257 0.499 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000342043390 135246575 /nfs/dbraw/zinc/24/65/75/135246575.db2.gz GNNNHBQLSMXVFQ-WDEREUQCSA-N 1 0 237.303 0.270 20 30 BCEDRO C[C@@](O)(CNC(=[NH2+])NC1CC1)C(F)(F)F ZINC000261698876 135246961 /nfs/dbraw/zinc/24/69/61/135246961.db2.gz NTBYDUJWPCBRFN-SSDOTTSWSA-N 1 0 225.214 0.366 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H]1CCCCO1 ZINC000261756322 135249959 /nfs/dbraw/zinc/24/99/59/135249959.db2.gz KVXJEJIEWFRSFO-SECBINFHSA-N 1 0 215.297 0.106 20 30 BCEDRO CNC(N[C@H](C)Cc1c(C)nn(C)c1C)=[NH+]C ZINC000261836376 135255819 /nfs/dbraw/zinc/25/58/19/135255819.db2.gz WDYWAPQELAHTHG-MRVPVSSYSA-N 1 0 237.351 0.763 20 30 BCEDRO CNC(N[C@@H](C)Cc1c(C)nn(C)c1C)=[NH+]C ZINC000261836379 135256072 /nfs/dbraw/zinc/25/60/72/135256072.db2.gz WDYWAPQELAHTHG-QMMMGPOBSA-N 1 0 237.351 0.763 20 30 BCEDRO C=CCOCC(=O)N(C)C1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000261896119 135260798 /nfs/dbraw/zinc/26/07/98/135260798.db2.gz WAKKAHIDFPYHBR-FOSCPWQOSA-N 1 0 238.331 0.930 20 30 BCEDRO Cc1cc(CNC(=[NH2+])NCC2CCC2)n(C)n1 ZINC000261897187 135261136 /nfs/dbraw/zinc/26/11/36/135261136.db2.gz VEVHOEANVSABJG-UHFFFAOYSA-N 1 0 235.335 0.933 20 30 BCEDRO CC1(C)C[C@@H]1NC(=[NH2+])NC[C@H]1CCCO1 ZINC000261911015 135262918 /nfs/dbraw/zinc/26/29/18/135262918.db2.gz YDBZRJHPVXYTST-BDAKNGLRSA-N 1 0 211.309 0.868 20 30 BCEDRO C[C@H]1C[C@H](CNC(=[NH2+])NC2CC2)CCO1 ZINC000261979317 135268566 /nfs/dbraw/zinc/26/85/66/135268566.db2.gz HKUJVIANCLMULH-DTWKUNHWSA-N 1 0 211.309 0.868 20 30 BCEDRO Cc1n[nH]cc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261981406 135269018 /nfs/dbraw/zinc/26/90/18/135269018.db2.gz OYFOZSNGJUZHFU-JTQLQIEISA-N 1 0 237.307 0.301 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCCS(C)(=O)=O)C1 ZINC000261987660 135269705 /nfs/dbraw/zinc/26/97/05/135269705.db2.gz KMEUMMYDQQUKAQ-SECBINFHSA-N 1 0 247.364 0.078 20 30 BCEDRO Cn1cnnc1CNC(=[NH2+])NCC1CCC1 ZINC000262012673 135272398 /nfs/dbraw/zinc/27/23/98/135272398.db2.gz USHHCFPMRLZFDH-UHFFFAOYSA-N 1 0 222.296 0.020 20 30 BCEDRO CNC(=[NH2+])NCc1csc([C@@H](C)OC)n1 ZINC000262047905 135276335 /nfs/dbraw/zinc/27/63/35/135276335.db2.gz ZGHUUZCAPVHVAF-ZCFIWIBFSA-N 1 0 228.321 0.885 20 30 BCEDRO Cc1ccnc(CNC(=[NH2+])NC2CC2)c1 ZINC000262138020 135281245 /nfs/dbraw/zinc/28/12/45/135281245.db2.gz DPSAHEJMTVUDKG-UHFFFAOYSA-N 1 0 204.277 0.957 20 30 BCEDRO CNC(NCc1nccn1CC(F)(F)F)=[NH+]C ZINC000262176182 135283527 /nfs/dbraw/zinc/28/35/27/135283527.db2.gz VVLPDGRDZWQXQG-UHFFFAOYSA-N 1 0 249.240 0.740 20 30 BCEDRO C[C@@H]1COCCN1CC[NH2+][C@H]1CCC[C@H]1C#N ZINC000342507950 135285104 /nfs/dbraw/zinc/28/51/04/135285104.db2.gz ZYWUDCBNTQQXJO-AGIUHOORSA-N 1 0 237.347 0.989 20 30 BCEDRO [NH2+]=C(NCCc1cn[nH]c1)N1CCSCC1 ZINC000262232584 135286590 /nfs/dbraw/zinc/28/65/90/135286590.db2.gz AJXXCYOHODWNIX-UHFFFAOYSA-N 1 0 239.348 0.316 20 30 BCEDRO C=CCNC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000262225687 135286671 /nfs/dbraw/zinc/28/66/71/135286671.db2.gz NCXBWJTXSRACDG-JTQLQIEISA-N 1 0 211.309 0.943 20 30 BCEDRO CN(C(=[NH2+])NC[C@@H](O)C(F)(F)F)C1CC1 ZINC000262273638 135289107 /nfs/dbraw/zinc/28/91/07/135289107.db2.gz UIWWDYIWKQYGBR-ZCFIWIBFSA-N 1 0 225.214 0.319 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCC(=O)N(C)C)C1 ZINC000262207615 135289799 /nfs/dbraw/zinc/28/97/99/135289799.db2.gz DPDZUANIHNZPFS-SECBINFHSA-N 1 0 226.324 0.121 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2ccc(CO)c(F)c2)N1 ZINC000262202036 135289908 /nfs/dbraw/zinc/28/99/08/135289908.db2.gz AZFZQEHVVISTIH-QMMMGPOBSA-N 1 0 237.278 0.755 20 30 BCEDRO CNC(N[C@@H]1[C@@H]2CCCO[C@H]2C1(C)C)=[NH+]C ZINC000262331968 135293687 /nfs/dbraw/zinc/29/36/87/135293687.db2.gz BDMXXJWIPFKZRY-IVZWLZJFSA-N 1 0 225.336 0.985 20 30 BCEDRO Cn1nncc1CNC(=[NH2+])NC1CCCC1 ZINC000262338303 135294027 /nfs/dbraw/zinc/29/40/27/135294027.db2.gz XVMTXJKEEVXYJP-UHFFFAOYSA-N 1 0 222.296 0.162 20 30 BCEDRO [NH2+]=C(NCC1CCC1)NC[C@@]1(O)CCSC1 ZINC000262341255 135294184 /nfs/dbraw/zinc/29/41/84/135294184.db2.gz AJOUSNBOEKUNIL-NSHDSACASA-N 1 0 243.376 0.559 20 30 BCEDRO C[NH+]=C(NCC1CC1)NC[C@@]1(O)CCSC1 ZINC000262409226 135295621 /nfs/dbraw/zinc/29/56/21/135295621.db2.gz OZRACDDGYFXITC-NSHDSACASA-N 1 0 243.376 0.429 20 30 BCEDRO Cc1nc(CNC(=[NH2+])NCC2CCC2)no1 ZINC000262428244 135296295 /nfs/dbraw/zinc/29/62/95/135296295.db2.gz SAEFSUKWWKBJMP-UHFFFAOYSA-N 1 0 223.280 0.582 20 30 BCEDRO C[NH+]=C(NC[C@@H](O)c1ccc(C)o1)N(C)C ZINC000262380757 135297603 /nfs/dbraw/zinc/29/76/03/135297603.db2.gz LMRCRFLBSJQMSP-SECBINFHSA-N 1 0 225.292 0.758 20 30 BCEDRO CCS(=O)(=O)c1ccc(CNC(N)=[NH2+])s1 ZINC000262386104 135298431 /nfs/dbraw/zinc/29/84/31/135298431.db2.gz ORZAYUHMCFENEC-UHFFFAOYSA-N 1 0 247.345 0.315 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@H]1COC2(CCCC2)O1 ZINC000262393849 135298619 /nfs/dbraw/zinc/29/86/19/135298619.db2.gz OOOMCWTWRYQKDS-SECBINFHSA-N 1 0 227.308 0.548 20 30 BCEDRO CN/C(=[NH+]/C)N1CC[C@H](COCCOC)C1 ZINC000262445060 135299595 /nfs/dbraw/zinc/29/95/95/135299595.db2.gz IOEWIIMQHAIKLG-JTQLQIEISA-N 1 0 229.324 0.177 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])N[C@H]2C[C@@H](O)C2(C)C)CCO1 ZINC000262455753 135300189 /nfs/dbraw/zinc/30/01/89/135300189.db2.gz LBMPHMPTOPWTHJ-KXUCPTDWSA-N 1 0 241.335 0.181 20 30 BCEDRO CCNC(N[C@@H]1C[C@H](O)C1(C)C)=[NH+]CC ZINC000262456806 135300457 /nfs/dbraw/zinc/30/04/57/135300457.db2.gz UGEHNMRADCRVEI-BDAKNGLRSA-N 1 0 213.325 0.721 20 30 BCEDRO CSC1(CNC(=[NH2+])N2CCO[C@H](C)C2)CC1 ZINC000262461625 135300597 /nfs/dbraw/zinc/30/05/97/135300597.db2.gz MLHIIRNAZJYHQY-SECBINFHSA-N 1 0 243.376 0.917 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@@](C)(O)c1ccco1 ZINC000262468811 135301007 /nfs/dbraw/zinc/30/10/07/135301007.db2.gz YQRVVMJDKUUAMA-LLVKDONJSA-N 1 0 225.292 0.800 20 30 BCEDRO CNC(NC[C@@H]1COC2(CCCC2)O1)=[NH+]C ZINC000262477850 135301717 /nfs/dbraw/zinc/30/17/17/135301717.db2.gz ZAMNNFOFPIIZLQ-SECBINFHSA-N 1 0 227.308 0.467 20 30 BCEDRO C=CCSCCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262502691 135303185 /nfs/dbraw/zinc/30/31/85/135303185.db2.gz YXLXYFULPJQKSX-SNVBAGLBSA-N 1 0 243.376 0.941 20 30 BCEDRO [NH2+]=C(NCC1CCSCC1)N1CCOCC1 ZINC000262505031 135303279 /nfs/dbraw/zinc/30/32/79/135303279.db2.gz BCAHBHMJKHFSHE-UHFFFAOYSA-N 1 0 243.376 0.777 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)CC[C@@H]1CCCO1 ZINC000342612645 135304110 /nfs/dbraw/zinc/30/41/10/135304110.db2.gz YJSZDENZDPMWCP-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO CN(C)C(=O)CNC(=[NH2+])N1CCCCCC1 ZINC000262551687 135305410 /nfs/dbraw/zinc/30/54/10/135305410.db2.gz UADQBPWSODMHHF-UHFFFAOYSA-N 1 0 226.324 0.265 20 30 BCEDRO C=CC1CCN(C(=O)[C@H]2C[C@@H](O)C[NH2+]2)CC1 ZINC000262551650 135305572 /nfs/dbraw/zinc/30/55/72/135305572.db2.gz TYAMQRMRZFGYSA-GHMZBOCLSA-N 1 0 224.304 0.134 20 30 BCEDRO C[C@@]1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCOC1 ZINC000262576748 135306588 /nfs/dbraw/zinc/30/65/88/135306588.db2.gz OPALOAKWXKNGLC-JQWIXIFHSA-N 1 0 241.335 0.496 20 30 BCEDRO CO[C@@]1(C[NH+]=C(N(C)C)N(C)C)CCOC1 ZINC000262640215 135310000 /nfs/dbraw/zinc/31/00/00/135310000.db2.gz HGYREHIRCADMNW-LLVKDONJSA-N 1 0 229.324 0.271 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H](O)C2CCCCC2)N1 ZINC000262640973 135310170 /nfs/dbraw/zinc/31/01/70/135310170.db2.gz HUIUQWHSPKCONW-MWLCHTKSSA-N 1 0 225.336 0.865 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCC(C)(C)O2)N1 ZINC000262651323 135310985 /nfs/dbraw/zinc/31/09/85/135310985.db2.gz KOFIKIMNGKIOMZ-BDAKNGLRSA-N 1 0 211.309 0.881 20 30 BCEDRO Cc1ccc(CNC2=[NH+]C[C@@H](C)N2)c(=O)n1C ZINC000262652144 135311372 /nfs/dbraw/zinc/31/13/72/135311372.db2.gz KSFRTNCUYSQDEP-MRVPVSSYSA-N 1 0 234.303 0.131 20 30 BCEDRO CC(C)[C@H](O)C1(CNC2=[NH+]CCN2C)CC1 ZINC000262660567 135311971 /nfs/dbraw/zinc/31/19/71/135311971.db2.gz MWIVQVUIXQNLAK-JTQLQIEISA-N 1 0 225.336 0.675 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@]2(C)CCCC[C@H]2O)N1 ZINC000262666291 135312467 /nfs/dbraw/zinc/31/24/67/135312467.db2.gz OXTVCENTHPILJV-CKYFFXLPSA-N 1 0 225.336 0.865 20 30 BCEDRO C[C@@H]1C[C@H](CNC2=[NH+]CCN2C)CCO1 ZINC000262668415 135312503 /nfs/dbraw/zinc/31/25/03/135312503.db2.gz PWAGKQDTGJJXMQ-NXEZZACHSA-N 1 0 211.309 0.693 20 30 BCEDRO CCNC(=O)C(C)(C)CNC1=[NH+]CCN1C ZINC000262678322 135313019 /nfs/dbraw/zinc/31/30/19/135313019.db2.gz UWCHZKGKCQWNRN-UHFFFAOYSA-N 1 0 226.324 0.040 20 30 BCEDRO Cc1cc(CNC2=[NH+]C[C@@H](C)N2)n(C)n1 ZINC000262678279 135313067 /nfs/dbraw/zinc/31/30/67/135313067.db2.gz UURXYFSFAHMWRB-MRVPVSSYSA-N 1 0 207.281 0.166 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCC(=O)OC(C)(C)C)N1 ZINC000262688389 135313795 /nfs/dbraw/zinc/31/37/95/135313795.db2.gz ZFVJKEIUPDHDBM-QMMMGPOBSA-N 1 0 227.308 0.656 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2ncccc2O)N1 ZINC000262686221 135313875 /nfs/dbraw/zinc/31/38/75/135313875.db2.gz YMCNUXWNYWSXHV-ZETCQYMHSA-N 1 0 206.249 0.225 20 30 BCEDRO COCCNC(=[NH2+])NCC1CC(F)(F)C1 ZINC000262694024 135314123 /nfs/dbraw/zinc/31/41/23/135314123.db2.gz HGSLILDAVSHYED-UHFFFAOYSA-N 1 0 221.251 0.582 20 30 BCEDRO COC(C)(C)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262699182 135314677 /nfs/dbraw/zinc/31/46/77/135314677.db2.gz YJEKOZNCJLBUTG-VIFPVBQESA-N 1 0 229.324 0.495 20 30 BCEDRO CN1CC[NH+]=C1NCC1CC(F)(F)C1 ZINC000262708250 135314754 /nfs/dbraw/zinc/31/47/54/135314754.db2.gz OEDJWSGYAOOEFL-UHFFFAOYSA-N 1 0 203.236 0.923 20 30 BCEDRO C[NH+]=C(NCc1ccn(C)n1)NC1CC1 ZINC000262732551 135315239 /nfs/dbraw/zinc/31/52/39/135315239.db2.gz BSNXEBWWQSZGJQ-UHFFFAOYSA-N 1 0 207.281 0.248 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)NC(=O)NCCC ZINC000342729679 135315978 /nfs/dbraw/zinc/31/59/78/135315978.db2.gz YCZGDVNPVCBMRA-UHFFFAOYSA-N 1 0 227.308 0.730 20 30 BCEDRO C=CCOCC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000342726689 135316001 /nfs/dbraw/zinc/31/60/01/135316001.db2.gz VXUOOHVWZIEABD-GFCCVEGCSA-N 1 0 226.320 0.695 20 30 BCEDRO [NH2+]=C(NCCN1CCC1)Nc1ccccn1 ZINC000262796769 135318752 /nfs/dbraw/zinc/31/87/52/135318752.db2.gz PXKYHYPNTINRPN-UHFFFAOYSA-N 1 0 219.292 0.514 20 30 BCEDRO C[S@@](=O)C1(CNC(=[NH2+])NC(C)(C)C)CC1 ZINC000262796729 135319264 /nfs/dbraw/zinc/31/92/64/135319264.db2.gz PVVXRHITPJDNMD-OAHLLOKOSA-N 1 0 231.365 0.600 20 30 BCEDRO C=CCNC(=[NH2+])N[C@@H]1C[C@@H](OC)C1(C)C ZINC000262806687 135319320 /nfs/dbraw/zinc/31/93/20/135319320.db2.gz NNDRMWDNWBYMHH-RKDXNWHRSA-N 1 0 211.309 0.890 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC=CO1 ZINC000262794012 135319367 /nfs/dbraw/zinc/31/93/67/135319367.db2.gz LHGWASJKWNIUDH-UWVGGRQHSA-N 1 0 227.308 0.618 20 30 BCEDRO CC(C)CNC(=[NH2+])NCC1([S@](C)=O)CC1 ZINC000262824561 135319752 /nfs/dbraw/zinc/31/97/52/135319752.db2.gz ZKXYGOASDNMFNI-HNNXBMFYSA-N 1 0 231.365 0.458 20 30 BCEDRO C[NH+]=C(NC1CCC1)N[C@@H]1CCN(C2CC2)C1 ZINC000262820055 135320311 /nfs/dbraw/zinc/32/03/11/135320311.db2.gz XVUKHRYLGHHBOA-LLVKDONJSA-N 1 0 236.363 0.941 20 30 BCEDRO CCCNC(=[NH2+])NCc1cccn(CC)c1=O ZINC000262868606 135321518 /nfs/dbraw/zinc/32/15/18/135321518.db2.gz UTOXMAVMJCPUAP-UHFFFAOYSA-N 1 0 236.319 0.683 20 30 BCEDRO C[C@H]1OCC[C@]1(O)C[NH+]=C(N(C)C)N(C)C ZINC000262866516 135321593 /nfs/dbraw/zinc/32/15/93/135321593.db2.gz URHDJKXZPRARGF-KOLCDFICSA-N 1 0 229.324 0.006 20 30 BCEDRO [NH2+]=C(NCC1(CO)CC2(CCC2)C1)NC1CC1 ZINC000262886864 135322531 /nfs/dbraw/zinc/32/25/31/135322531.db2.gz WMGNLSIJCSRRSK-UHFFFAOYSA-N 1 0 237.347 0.996 20 30 BCEDRO CCNC(NC[C@]1(O)CCO[C@H]1C)=[NH+]CC ZINC000262911951 135323215 /nfs/dbraw/zinc/32/32/15/135323215.db2.gz YOYYJRSYIKEOMA-GXSJLCMTSA-N 1 0 229.324 0.101 20 30 BCEDRO [NH2+]=C(NCc1cccnn1)N1CCSCC1 ZINC000262922917 135324367 /nfs/dbraw/zinc/32/43/67/135324367.db2.gz LEBKRAJJEDGZIO-UHFFFAOYSA-N 1 0 237.332 0.340 20 30 BCEDRO CCO[C@H]1C[C@@H](NC(=[NH2+])N2CCO[C@@H](C)C2)C1 ZINC000263039414 135327949 /nfs/dbraw/zinc/32/79/49/135327949.db2.gz CFHONMPAJZLLDP-GARJFASQSA-N 1 0 241.335 0.589 20 30 BCEDRO [NH2+]=C(NCCOC(F)(F)F)NC1CCC1 ZINC000263042476 135329190 /nfs/dbraw/zinc/32/91/90/135329190.db2.gz CNIDZYSBNMMXDN-UHFFFAOYSA-N 1 0 225.214 0.980 20 30 BCEDRO CCc1nnc(CNC(=[NH2+])N(CC)CC)[nH]1 ZINC000263050361 135329366 /nfs/dbraw/zinc/32/93/66/135329366.db2.gz DJKIJNLTGBFIOA-UHFFFAOYSA-N 1 0 224.312 0.524 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2C[C@@H](C)O[C@@H]2C)N1 ZINC000263078023 135331326 /nfs/dbraw/zinc/33/13/26/135331326.db2.gz HHYLYLAQYCEZQZ-KYXWUPHJSA-N 1 0 211.309 0.737 20 30 BCEDRO CO[C@@H](CNC(=[NH2+])NC1CCC1)C1CC1 ZINC000263080229 135331397 /nfs/dbraw/zinc/33/13/97/135331397.db2.gz HQEIYSPETJORHM-JTQLQIEISA-N 1 0 211.309 0.868 20 30 BCEDRO CC(C)NC(=[NH2+])NCC(=O)NCc1ccco1 ZINC000263074276 135331499 /nfs/dbraw/zinc/33/14/99/135331499.db2.gz CFJAYGILNOPFJP-UHFFFAOYSA-N 1 0 238.291 0.209 20 30 BCEDRO [NH2+]=C(NCCN1CCCOCC1)NC1CCC1 ZINC000263087934 135331993 /nfs/dbraw/zinc/33/19/93/135331993.db2.gz INGUEEGGJBHANQ-UHFFFAOYSA-N 1 0 240.351 0.166 20 30 BCEDRO CCn1nc(C)c(CNC2=[NH+]CCCN2C)n1 ZINC000263097933 135332417 /nfs/dbraw/zinc/33/24/17/135332417.db2.gz VWYIKBHSBCEXAR-UHFFFAOYSA-N 1 0 236.323 0.388 20 30 BCEDRO CO[C@H]1COCC[C@H]1CNC1=[NH+]CCCN1C ZINC000263107547 135333486 /nfs/dbraw/zinc/33/34/86/135333486.db2.gz KUEZOXLLAUMELF-QWRGUYRKSA-N 1 0 241.335 0.319 20 30 BCEDRO N#C[C@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000366791813 135334129 /nfs/dbraw/zinc/33/41/29/135334129.db2.gz DIIODZDZPNLSDA-NSHDSACASA-N 1 0 249.314 0.366 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CCSC[C@@H]1C#N ZINC000334297216 135335006 /nfs/dbraw/zinc/33/50/06/135335006.db2.gz AOQJECWHGDFPJN-JTQLQIEISA-N 1 0 241.360 0.794 20 30 BCEDRO Cc1ccc(CNC(=[NH2+])N2CCOCC2)nc1C ZINC000263148176 135335360 /nfs/dbraw/zinc/33/53/60/135335360.db2.gz PBSUNNXFJMPPNQ-UHFFFAOYSA-N 1 0 248.330 0.845 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@]2(O)CCCC2(C)C)N1 ZINC000263151080 135335925 /nfs/dbraw/zinc/33/59/25/135335925.db2.gz PKQAVHLSEFONFM-BXKDBHETSA-N 1 0 225.336 0.865 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[C@H](C)O[C@@H]1C ZINC000263167956 135337043 /nfs/dbraw/zinc/33/70/43/135337043.db2.gz ROUHTAVPYBEGIA-MMWGEVLESA-N 1 0 243.351 0.739 20 30 BCEDRO Cn1ncc(CNC(=[NH2+])NC(C)(C)C)n1 ZINC000263195180 135338577 /nfs/dbraw/zinc/33/85/77/135338577.db2.gz ZYFXRDWWQZMEGK-UHFFFAOYSA-N 1 0 210.285 0.018 20 30 BCEDRO CN1CC[NH+]=C1NCC[N@@H+]1CCCC1(C)C ZINC000263194820 135338724 /nfs/dbraw/zinc/33/87/24/135338724.db2.gz WHAQOQLUHZVZCW-UHFFFAOYSA-N 1 0 224.352 0.752 20 30 BCEDRO [NH2+]=C(NCC1(CO)CCC1)NC1CCC1 ZINC000263191537 135338843 /nfs/dbraw/zinc/33/88/43/135338843.db2.gz VTOOJUJXDVKYSF-UHFFFAOYSA-N 1 0 211.309 0.606 20 30 BCEDRO CC1(C)[C@H](NC(=[NH2+])NC2CCC2)C[C@@H]1O ZINC000263206163 135339161 /nfs/dbraw/zinc/33/91/61/135339161.db2.gz YGXNHTXZRXDMIY-BDAKNGLRSA-N 1 0 211.309 0.603 20 30 BCEDRO CN(C)C(=[NH+]Cc1nnc(C2CC2)[nH]1)N(C)C ZINC000263200348 135339707 /nfs/dbraw/zinc/33/97/07/135339707.db2.gz XEAIRBGMUVNPPE-UHFFFAOYSA-N 1 0 236.323 0.661 20 30 BCEDRO Cc1cccnc1CCNC1=[NH+]C[C@H](C)N1 ZINC000263210438 135340070 /nfs/dbraw/zinc/34/00/70/135340070.db2.gz YXGGGJZCIKEFMJ-JTQLQIEISA-N 1 0 218.304 0.870 20 30 BCEDRO CC(C)CNC(=[NH2+])NC[C@@]1(C)CCC(=O)N1 ZINC000263214258 135340409 /nfs/dbraw/zinc/34/04/09/135340409.db2.gz ZPBHSNLWIWOULI-LLVKDONJSA-N 1 0 226.324 0.215 20 30 BCEDRO C=CCNC(NC[C@H]1COCCO1)=[NH+]CC ZINC000263226955 135340947 /nfs/dbraw/zinc/34/09/47/135340947.db2.gz GTACAVYWWBFTRG-JTQLQIEISA-N 1 0 227.308 0.143 20 30 BCEDRO COCCNC(=[NH2+])NC1CC(F)(F)C1 ZINC000263241544 135342152 /nfs/dbraw/zinc/34/21/52/135342152.db2.gz GKPBBVPYSWSPTI-UHFFFAOYSA-N 1 0 207.224 0.335 20 30 BCEDRO C[NH+]=C(NCC(=O)NC1CC1)NC(C)(C)C ZINC000263263737 135343418 /nfs/dbraw/zinc/34/34/18/135343418.db2.gz UKJBUHDCQZHTIL-UHFFFAOYSA-N 1 0 226.324 0.229 20 30 BCEDRO Cc1cccc(NC(=[NH2+])NCC(=O)N(C)C)c1 ZINC000263278695 135344604 /nfs/dbraw/zinc/34/46/04/135344604.db2.gz ZHUKVFZWKSEZGF-UHFFFAOYSA-N 1 0 234.303 0.810 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NC1CC(F)(F)C1 ZINC000263289489 135348779 /nfs/dbraw/zinc/34/87/79/135348779.db2.gz VWCDBLDKGFZEEJ-MRVPVSSYSA-N 1 0 233.262 0.867 20 30 BCEDRO CCCNC(=[NH2+])NCc1cc(C)nn1C ZINC000283890942 135371907 /nfs/dbraw/zinc/37/19/07/135371907.db2.gz HLICZOFNTJGOPD-UHFFFAOYSA-N 1 0 209.297 0.543 20 30 BCEDRO CCNC(=[NH2+])NCCCc1nccs1 ZINC000290748707 135374408 /nfs/dbraw/zinc/37/44/08/135374408.db2.gz XYIDLBLZUHAORM-UHFFFAOYSA-N 1 0 212.322 1.000 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000290675770 135374912 /nfs/dbraw/zinc/37/49/12/135374912.db2.gz ZDLHZMOITDQYHR-BBBLOLIVSA-N 1 0 212.293 0.137 20 30 BCEDRO C=CCOCC[NH2+][C@H](C(=O)NCC)C(C)C ZINC000293296726 135376911 /nfs/dbraw/zinc/37/69/11/135376911.db2.gz PDLGBGVHVRQKBR-NSHDSACASA-N 1 0 228.336 0.939 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CCO)C(C)C ZINC000294620171 135378391 /nfs/dbraw/zinc/37/83/91/135378391.db2.gz OSSLYSVGFBSEEB-LLVKDONJSA-N 1 0 226.320 0.123 20 30 BCEDRO C[C@@H](C#N)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000332012476 135396183 /nfs/dbraw/zinc/39/61/83/135396183.db2.gz HAFSNTQUNICKLZ-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCOCC[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000339136976 135429968 /nfs/dbraw/zinc/42/99/68/135429968.db2.gz NVKGNIIVWNDKKN-VXGBXAGGSA-N 1 0 229.320 0.973 20 30 BCEDRO C[C@H](O)CNC(=[NH2+])N[C@@H]1CCOc2ccccc21 ZINC000083029646 135443313 /nfs/dbraw/zinc/44/33/13/135443313.db2.gz YQQLOTSMNOXASH-GXSJLCMTSA-N 1 0 249.314 0.795 20 30 BCEDRO C=CCCS(=O)(=O)NCC1(C)CC[NH2+]CC1 ZINC000193376808 135591744 /nfs/dbraw/zinc/59/17/44/135591744.db2.gz RHGVXTSTVMYXGL-UHFFFAOYSA-N 1 0 246.376 0.872 20 30 BCEDRO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC)C12CCOCC2 ZINC000184594530 135646105 /nfs/dbraw/zinc/64/61/05/135646105.db2.gz KWXNLUBZDXMKRY-NXEZZACHSA-N 1 0 241.335 0.495 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H]1CCNC(=O)CC1 ZINC000294943566 135681073 /nfs/dbraw/zinc/68/10/73/135681073.db2.gz JWXRFDIKIGZXKJ-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCN(CCOC)C1 ZINC000344326083 135767896 /nfs/dbraw/zinc/76/78/96/135767896.db2.gz NJOSCMQPCVYUNC-CHWSQXEVSA-N 1 0 242.363 0.481 20 30 BCEDRO CC[C@@H](C#N)NC(=O)CN1CC[NH+](CC)CC1 ZINC000345173568 135887966 /nfs/dbraw/zinc/88/79/66/135887966.db2.gz HPTBCPQDDQKKLZ-NSHDSACASA-N 1 0 238.335 0.042 20 30 BCEDRO CC#CCCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000335139760 135896540 /nfs/dbraw/zinc/89/65/40/135896540.db2.gz PIXQFZJYGBBRCY-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000347758858 136011857 /nfs/dbraw/zinc/01/18/57/136011857.db2.gz YYEOAHHIVYTSLJ-MNOVXSKESA-N 1 0 223.320 0.946 20 30 BCEDRO N#CCc1ccc(C[NH2+]C2(C(N)=O)CC2)cc1 ZINC000347810929 136013192 /nfs/dbraw/zinc/01/31/92/136013192.db2.gz VAOYVTMYGCWBIO-UHFFFAOYSA-N 1 0 229.283 0.860 20 30 BCEDRO C=CCN(C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335301656 136020308 /nfs/dbraw/zinc/02/03/08/136020308.db2.gz XGEDYTPHIYXGPS-QMMMGPOBSA-N 1 0 233.262 0.811 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000348027836 136026737 /nfs/dbraw/zinc/02/67/37/136026737.db2.gz FWUGQOJLZVYLGV-MNOVXSKESA-N 1 0 242.319 0.154 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000348042177 136028971 /nfs/dbraw/zinc/02/89/71/136028971.db2.gz ZJPVTYRFFCJDLF-STQMWFEESA-N 1 0 240.347 0.594 20 30 BCEDRO C=CCOCCC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000348053434 136031703 /nfs/dbraw/zinc/03/17/03/136031703.db2.gz VJGOBKUOOICOIY-GFCCVEGCSA-N 1 0 238.331 0.886 20 30 BCEDRO C=CCOCCCN1CC[NH+](C[C@H](C)O)CC1 ZINC000348118668 136032221 /nfs/dbraw/zinc/03/22/21/136032221.db2.gz MDVDUCOVJFIANZ-ZDUSSCGKSA-N 1 0 242.363 0.578 20 30 BCEDRO C[NH+]=C(NCC1[C@H]2COC[C@@H]12)NC1CC1 ZINC000367023162 136039978 /nfs/dbraw/zinc/03/99/78/136039978.db2.gz SOPFYNLMYJPBFN-PBINXNQUSA-N 1 0 209.293 0.206 20 30 BCEDRO C[NH+](C)[C@@H]1CCC[C@@H](NC(=O)CC#N)C1 ZINC000335327900 136052804 /nfs/dbraw/zinc/05/28/04/136052804.db2.gz HGGKDWWUQNKCAQ-NXEZZACHSA-N 1 0 209.293 0.889 20 30 BCEDRO Cc1ccc(C#N)cc1NC(=O)NCC[NH3+] ZINC000335349922 136068289 /nfs/dbraw/zinc/06/82/89/136068289.db2.gz YATJJSBNEFBLMI-UHFFFAOYSA-N 1 0 218.260 0.947 20 30 BCEDRO C#CCN(CC#C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000490778553 397768998 /nfs/dbraw/zinc/76/89/98/397768998.db2.gz HFNUBTMJLITTSY-BETUJISGSA-N 1 0 232.327 0.954 20 30 BCEDRO C=CCCN(C)C(=O)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000647597917 397791246 /nfs/dbraw/zinc/79/12/46/397791246.db2.gz YCFBSCVGYJEXIR-NXEZZACHSA-N 1 0 241.335 0.263 20 30 BCEDRO C#CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000491748979 397867139 /nfs/dbraw/zinc/86/71/39/397867139.db2.gz FMOFYHYDNFWKDT-SNVBAGLBSA-N 1 0 209.293 0.355 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)nn1 ZINC000647697762 397929999 /nfs/dbraw/zinc/92/99/99/397929999.db2.gz ILQMCRIYGCOVDX-SNVBAGLBSA-N 1 0 249.318 0.194 20 30 BCEDRO CCOC[C@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC000336645189 397948790 /nfs/dbraw/zinc/94/87/90/397948790.db2.gz CSAOWWHQTRAVGT-SECBINFHSA-N 1 0 224.260 0.638 20 30 BCEDRO Cc1ccc(O)c(C[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592523362 397950879 /nfs/dbraw/zinc/95/08/79/397950879.db2.gz YZNIRWPZNPVWAU-CYBMUJFWSA-N 1 0 247.298 0.946 20 30 BCEDRO N#CCCCC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000300074184 397952276 /nfs/dbraw/zinc/95/22/76/397952276.db2.gz BAYZKUCOAGWHIG-GHMZBOCLSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599937825 398045568 /nfs/dbraw/zinc/04/55/68/398045568.db2.gz FSGDIKBAZHOODR-LPEHRKFASA-N 1 0 224.308 0.538 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)n2ccnc21 ZINC000491535143 398047578 /nfs/dbraw/zinc/04/75/78/398047578.db2.gz AEERLZFVDJVECE-WDEREUQCSA-N 1 0 246.314 0.618 20 30 BCEDRO CC#CCCNC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487231131 398022655 /nfs/dbraw/zinc/02/26/55/398022655.db2.gz YXNOFHWTHVLLMQ-WDEREUQCSA-N 1 0 208.305 0.714 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@H](O)C1 ZINC000598595191 398032033 /nfs/dbraw/zinc/03/20/33/398032033.db2.gz CRSLYOUCVRTESR-ZJUUUORDSA-N 1 0 212.293 0.354 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](COC)C1 ZINC000491118782 398032331 /nfs/dbraw/zinc/03/23/31/398032331.db2.gz FVJKNJHUNBQBFM-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO CC[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H](C)CO ZINC000598617324 398032830 /nfs/dbraw/zinc/03/28/30/398032830.db2.gz IJLRHICZZJTBIS-WDEREUQCSA-N 1 0 228.336 0.990 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cc1ccncc1 ZINC000491266272 398034628 /nfs/dbraw/zinc/03/46/28/398034628.db2.gz OPOAFLBRKXBQPO-UHFFFAOYSA-N 1 0 245.326 0.695 20 30 BCEDRO C#C[C@H](CC)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000491503145 398043480 /nfs/dbraw/zinc/04/34/80/398043480.db2.gz BDYBPQJMKYSYAG-MNOVXSKESA-N 1 0 240.372 0.952 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000491503146 398043700 /nfs/dbraw/zinc/04/37/00/398043700.db2.gz BDYBPQJMKYSYAG-QWRGUYRKSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCOC(C)(C)C1 ZINC000491676078 398059606 /nfs/dbraw/zinc/05/96/06/398059606.db2.gz YLWAGYPKGGPSRV-LLVKDONJSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)N1CCC(C[NH2+]CC)CC1 ZINC000491705079 398061700 /nfs/dbraw/zinc/06/17/00/398061700.db2.gz KAENWHWZXNDURV-UHFFFAOYSA-N 1 0 223.320 0.651 20 30 BCEDRO C#C[C@@H](NC(=O)NC(C)(C)C[NH3+])C(C)C ZINC000491738041 398063864 /nfs/dbraw/zinc/06/38/64/398063864.db2.gz WJDRNEGEBAZZFL-SECBINFHSA-N 1 0 211.309 0.681 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCCOC ZINC000491766903 398066188 /nfs/dbraw/zinc/06/61/88/398066188.db2.gz FNVYUFGDPBRATJ-LLVKDONJSA-N 1 0 226.320 0.483 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CCCCOC ZINC000491766904 398066258 /nfs/dbraw/zinc/06/62/58/398066258.db2.gz FNVYUFGDPBRATJ-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000491789779 398069988 /nfs/dbraw/zinc/06/99/88/398069988.db2.gz ZGLUBNKMZQYTMO-OUAUKWLOSA-N 1 0 221.304 0.307 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)[C@@H](C)c1ccccc1 ZINC000491795872 398071835 /nfs/dbraw/zinc/07/18/35/398071835.db2.gz XRHAWVNQYZNCNZ-IACUBPJLSA-N 1 0 233.311 0.735 20 30 BCEDRO Cn1cc(C[NH2+]CC2(C)OCCO2)cc1C#N ZINC000191535402 398073769 /nfs/dbraw/zinc/07/37/69/398073769.db2.gz VDCZCTKOLVQLFV-UHFFFAOYSA-N 1 0 235.287 0.749 20 30 BCEDRO N#CC1(C(=O)N2CCO[C@@H](C[NH3+])C2)CC2(CC2)C1 ZINC000602481788 398075431 /nfs/dbraw/zinc/07/54/31/398075431.db2.gz DQHOCJAHFXNYAU-JTQLQIEISA-N 1 0 249.314 0.256 20 30 BCEDRO CCCN(CC#N)C(=O)/C=C/C[NH+](C)C ZINC000491851497 398075711 /nfs/dbraw/zinc/07/57/11/398075711.db2.gz RKYMXTGVWLPLCN-AATRIKPKSA-N 1 0 209.293 0.866 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)[C@H]2CCCO2)CC1 ZINC000040221732 398076370 /nfs/dbraw/zinc/07/63/70/398076370.db2.gz WSLDGESOYHSXLN-SNVBAGLBSA-N 1 0 237.303 0.270 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000649743468 398081728 /nfs/dbraw/zinc/08/17/28/398081728.db2.gz SOLZZCRLJRYHKT-SDDRHHMPSA-N 1 0 229.320 0.395 20 30 BCEDRO C#CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000491637683 398051436 /nfs/dbraw/zinc/05/14/36/398051436.db2.gz WIWXMLDMCNRNAQ-LLVKDONJSA-N 1 0 232.287 0.171 20 30 BCEDRO COC(=O)[C@H]1[C@H](O)CCCN1CCCCC#N ZINC000189578900 398058488 /nfs/dbraw/zinc/05/84/88/398058488.db2.gz SIKXFOIQXUPGAW-GHMZBOCLSA-N 1 0 240.303 0.679 20 30 BCEDRO C[N@H+](CCc1ccccc1)CC(=O)NCC#N ZINC000066494866 398124073 /nfs/dbraw/zinc/12/40/73/398124073.db2.gz BAANKPWEXHTABG-UHFFFAOYSA-N 1 0 231.299 0.801 20 30 BCEDRO C=C(C)COCCNC[C@H](O)C[NH+]1CCCC1 ZINC000163793194 398131686 /nfs/dbraw/zinc/13/16/86/398131686.db2.gz SDLMTXRSEYFOBS-ZDUSSCGKSA-N 1 0 242.363 0.625 20 30 BCEDRO C#CCNC(=O)[C@@H]1C[C@H]2CCCC[C@H]2[NH2+]1 ZINC000250627535 322870852 /nfs/dbraw/zinc/87/08/52/322870852.db2.gz BWVGLAMITFDCIA-MXWKQRLJSA-N 1 0 206.289 0.657 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000668800604 487560503 /nfs/dbraw/zinc/56/05/03/487560503.db2.gz UZZDVTQLIMTIAD-WCQYABFASA-N 1 0 240.347 0.724 20 30 BCEDRO C[C@@H]1CN(C(=O)c2cccc(C#N)c2)CC[NH2+]1 ZINC000088059056 322886859 /nfs/dbraw/zinc/88/68/59/322886859.db2.gz LEMKYVOIJFKPST-SNVBAGLBSA-N 1 0 229.283 0.992 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000685636836 487568309 /nfs/dbraw/zinc/56/83/09/487568309.db2.gz HIGUPPDARNGFBU-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000685654186 487570589 /nfs/dbraw/zinc/57/05/89/487570589.db2.gz GHUDFAIFYQRQQZ-GHMZBOCLSA-N 1 0 238.335 0.928 20 30 BCEDRO C=CCCS(=O)(=O)NCC1([NH3+])CCCC1 ZINC000658390930 487573544 /nfs/dbraw/zinc/57/35/44/487573544.db2.gz YQOQSNFTCROWBF-UHFFFAOYSA-N 1 0 232.349 0.753 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CC[C@@H]1CCNC1=O ZINC000568180962 322921105 /nfs/dbraw/zinc/92/11/05/322921105.db2.gz HHKQZHPOBFKWMB-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NC(C)(C)C[NH+](C)C ZINC000556740677 322921272 /nfs/dbraw/zinc/92/12/72/322921272.db2.gz RMMWHAOSCUMWLR-VIFPVBQESA-N 1 0 226.324 0.785 20 30 BCEDRO C#CCCC[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000271414255 166128975 /nfs/dbraw/zinc/12/89/75/166128975.db2.gz NZLQYQZNZGMIHM-UHFFFAOYSA-N 1 0 225.288 0.400 20 30 BCEDRO C#CCCC[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000278785965 166131117 /nfs/dbraw/zinc/13/11/17/166131117.db2.gz DOMRIMLTVWJNQM-LBPRGKRZSA-N 1 0 206.289 0.612 20 30 BCEDRO C=CCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000070592463 409801060 /nfs/dbraw/zinc/80/10/60/409801060.db2.gz KKVGDVPIEMRLID-SECBINFHSA-N 1 0 203.307 0.729 20 30 BCEDRO C=C[C@@H](C)NC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000309069210 410215559 /nfs/dbraw/zinc/21/55/59/410215559.db2.gz BDEVIWZBZQHYKR-KOLCDFICSA-N 1 0 212.293 0.303 20 30 BCEDRO CN(C(=O)CC[NH2+]CC#CCO)c1ccccc1 ZINC000663362141 410155810 /nfs/dbraw/zinc/15/58/10/410155810.db2.gz ACOLIIUZURVOOB-UHFFFAOYSA-N 1 0 246.310 0.625 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCn1ccnc1C ZINC000264118679 169744378 /nfs/dbraw/zinc/74/43/78/169744378.db2.gz UFHYFEJPXQGHTR-UHFFFAOYSA-N 1 0 223.324 0.848 20 30 BCEDRO C=CC[N@H+](C[C@H]1COCCO1)[C@H](C)COC ZINC000661238962 410397523 /nfs/dbraw/zinc/39/75/23/410397523.db2.gz AWPPGCIRJQRKME-NEPJUHHUSA-N 1 0 229.320 0.925 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000159191592 410450692 /nfs/dbraw/zinc/45/06/92/410450692.db2.gz FHJUKXNJEOLGBA-WOPDTQHZSA-N 1 0 240.347 0.912 20 30 BCEDRO C#CCN(CC)CC(=O)N1CCCCC1 ZINC000266888477 166165901 /nfs/dbraw/zinc/16/59/01/166165901.db2.gz BYRUUXLMRVWAJR-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C#CCNC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000085226695 166175652 /nfs/dbraw/zinc/17/56/52/166175652.db2.gz KTSBDQKVEXRZMV-MNOVXSKESA-N 1 0 223.320 0.601 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000265463125 166178465 /nfs/dbraw/zinc/17/84/65/166178465.db2.gz YDPFQGDJPBKZQR-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cn[nH]c1 ZINC000274136941 166182707 /nfs/dbraw/zinc/18/27/07/166182707.db2.gz WTNBYJZJWDQSDG-DTWKUNHWSA-N 1 0 220.276 0.198 20 30 BCEDRO C#CCNC(=O)[C@@](C)([NH3+])c1ccccc1 ZINC000052881292 166183753 /nfs/dbraw/zinc/18/37/53/166183753.db2.gz GMDBOXASGXLRBF-LBPRGKRZSA-N 1 0 202.257 0.610 20 30 BCEDRO C#CCOc1ccc(C[NH2+]CC(=O)NC)cc1 ZINC000265001181 166198721 /nfs/dbraw/zinc/19/87/21/166198721.db2.gz ZUPSOCCVIDBZRL-UHFFFAOYSA-N 1 0 232.283 0.534 20 30 BCEDRO C#CCOc1ccc(C[NH2+][C@@H](CO)COC)cc1 ZINC000279853275 166198860 /nfs/dbraw/zinc/19/88/60/166198860.db2.gz RYGSUQFCPQYDJU-ZDUSSCGKSA-N 1 0 249.310 0.796 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC1CC[NH+](CC)CC1 ZINC000274745042 166209159 /nfs/dbraw/zinc/20/91/59/166209159.db2.gz DQALGLXINXEMFI-SNVBAGLBSA-N 1 0 223.320 0.792 20 30 BCEDRO C=CCCCN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000158403211 166232575 /nfs/dbraw/zinc/23/25/75/166232575.db2.gz GMIGNPPIILYNBU-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCCC[NH+]1CCN(C(=O)CN(C)C)CC1 ZINC000118000402 166234402 /nfs/dbraw/zinc/23/44/02/166234402.db2.gz NSMGXOLYHVBRNH-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000189595095 166234778 /nfs/dbraw/zinc/23/47/78/166234778.db2.gz LZZPTKCEBHNAPR-WDEREUQCSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CCC[N@@H+](C)C[C@](C)(O)C(=O)OCC ZINC000276515603 166257684 /nfs/dbraw/zinc/25/76/84/166257684.db2.gz YAVHBOGRRJRJRT-NSHDSACASA-N 1 0 215.293 0.808 20 30 BCEDRO C=CCCN1CCN(c2cnn(C)c2)C(=O)C1 ZINC000267418310 166264390 /nfs/dbraw/zinc/26/43/90/166264390.db2.gz VSQUBRUPDFPCAB-UHFFFAOYSA-N 1 0 234.303 0.645 20 30 BCEDRO C=CCCOCCNC(=O)N(C)CC[NH+](C)C ZINC000270228581 166268378 /nfs/dbraw/zinc/26/83/78/166268378.db2.gz IDRRGCOTMQIGLT-UHFFFAOYSA-N 1 0 243.351 0.782 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CCC[C@H]([NH3+])C1 ZINC000158566624 166272473 /nfs/dbraw/zinc/27/24/73/166272473.db2.gz HKHNIAKQMNADSK-QWRGUYRKSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@H]([NH2+]C)C1 ZINC000269114796 166272486 /nfs/dbraw/zinc/27/24/86/166272486.db2.gz HBASEXTXQONAGG-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCC[NH2+]CCOC ZINC000271181342 166272490 /nfs/dbraw/zinc/27/24/90/166272490.db2.gz VZMIYGGZHIDYEX-NSHDSACASA-N 1 0 244.335 0.320 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178589132 166274344 /nfs/dbraw/zinc/27/43/44/166274344.db2.gz YUACEAHWKIGCPN-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179123029 166275035 /nfs/dbraw/zinc/27/50/35/166275035.db2.gz DNYHPJRPLFFREI-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000289273498 166298232 /nfs/dbraw/zinc/29/82/32/166298232.db2.gz FJLUDLRXOBNPEF-ZYHUDNBSSA-N 1 0 228.336 0.803 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)C[C@H](C)C(=O)NC ZINC000268461567 166303257 /nfs/dbraw/zinc/30/32/57/166303257.db2.gz KOIMCIMXNPRRQD-QWRGUYRKSA-N 1 0 228.336 0.627 20 30 BCEDRO C=CCN(C)C(=O)NCC[N@@H+](C)CCOC ZINC000154494099 166314701 /nfs/dbraw/zinc/31/47/01/166314701.db2.gz RXNJYWMLGZIJFM-UHFFFAOYSA-N 1 0 229.324 0.392 20 30 BCEDRO C=CCN(C)C(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000274983569 166318147 /nfs/dbraw/zinc/31/81/47/166318147.db2.gz FTRZLAYHMRWAMG-NSHDSACASA-N 1 0 241.335 0.535 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H](C)[N@H+](C)CCO ZINC000153137391 166329816 /nfs/dbraw/zinc/32/98/16/166329816.db2.gz YRNPCMKZFLRLDE-LLVKDONJSA-N 1 0 226.320 0.500 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](C)CCO ZINC000153137274 166330063 /nfs/dbraw/zinc/33/00/63/166330063.db2.gz YRNPCMKZFLRLDE-NSHDSACASA-N 1 0 226.320 0.500 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)C(C)(C)O)CC1 ZINC000276992355 166352709 /nfs/dbraw/zinc/35/27/09/166352709.db2.gz CFJJBUUNFPNFEM-UHFFFAOYSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCN1CC[N@@H+](CC=C)C[C@@H]1C(=O)N(C)C ZINC000268485275 166356394 /nfs/dbraw/zinc/35/63/94/166356394.db2.gz MJUSOLHXFKLXPT-GFCCVEGCSA-N 1 0 237.347 0.433 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CCCCO)C1CC1 ZINC000078801563 166365309 /nfs/dbraw/zinc/36/53/09/166365309.db2.gz BFQFWLJSFJRRGV-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@@H](O)CC ZINC000078724653 166366214 /nfs/dbraw/zinc/36/62/14/166366214.db2.gz SIELPKLXGVISSZ-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)COC(C)C ZINC000308892738 166369585 /nfs/dbraw/zinc/36/95/85/166369585.db2.gz YHJJFONAPPLKQS-JTQLQIEISA-N 1 0 214.309 0.692 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCSC1 ZINC000278617022 166369689 /nfs/dbraw/zinc/36/96/89/166369689.db2.gz DIOYQRAYPCSMSL-SECBINFHSA-N 1 0 214.334 0.631 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](COC)[C@@H]1CCCO1 ZINC000279087933 166370949 /nfs/dbraw/zinc/37/09/49/166370949.db2.gz OVXJVXGBCWRGOV-QWRGUYRKSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCSC ZINC000361571751 166383278 /nfs/dbraw/zinc/38/32/78/166383278.db2.gz OIIKYHFODGZXCG-SECBINFHSA-N 1 0 216.350 0.972 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000273319781 166381891 /nfs/dbraw/zinc/38/18/91/166381891.db2.gz QUHRMMQAEOLJRC-VHSXEESVSA-N 1 0 236.319 0.761 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](OC)C1 ZINC000267620981 166381995 /nfs/dbraw/zinc/38/19/95/166381995.db2.gz DPTWQLXBVTXHNM-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000273973929 166382945 /nfs/dbraw/zinc/38/29/45/166382945.db2.gz GWRBWFVPMJLRQM-RKDXNWHRSA-N 1 0 222.292 0.751 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCOC1 ZINC000178756564 166387322 /nfs/dbraw/zinc/38/73/22/166387322.db2.gz NLYCWQVXPCKBOC-QWRGUYRKSA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCOCCCC(=O)NCC[NH+](C)C ZINC000174983385 166415202 /nfs/dbraw/zinc/41/52/02/166415202.db2.gz PRYHTGCUBSDNCI-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO CC(C)NC(=O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189581182 167059311 /nfs/dbraw/zinc/05/93/11/167059311.db2.gz ZCYGTRBARCTNIZ-UHFFFAOYSA-N 1 0 234.303 0.511 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+](C)C[C@H]1COCCO1 ZINC000661611997 411054617 /nfs/dbraw/zinc/05/46/17/411054617.db2.gz NOZBZHBNQDPFDF-WDEREUQCSA-N 1 0 215.293 0.271 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000661602733 411016915 /nfs/dbraw/zinc/01/69/15/411016915.db2.gz DYADPWURMZDITN-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CC[C@@H]1CC[C@H]([NH2+]CCS(=O)(=O)NC)C1 ZINC000651781545 411143403 /nfs/dbraw/zinc/14/34/03/411143403.db2.gz NCMJMUXZPLNFPE-MNOVXSKESA-N 1 0 246.376 0.870 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](O)CN(C)CC ZINC000653635804 411153076 /nfs/dbraw/zinc/15/30/76/411153076.db2.gz DYFWMNUAJGYYBI-NSHDSACASA-N 1 0 200.326 0.807 20 30 BCEDRO CC#CCNC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000642644059 411162249 /nfs/dbraw/zinc/16/22/49/411162249.db2.gz UBVMIWMZUIOOOO-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO N#Cc1ccnc(N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)c1 ZINC000405375111 411172272 /nfs/dbraw/zinc/17/22/72/411172272.db2.gz HFVABWKNZNOMNS-NWDGAFQWSA-N 1 0 244.298 0.208 20 30 BCEDRO C=CCCOCC[NH2+][C@H](C)Cn1cncn1 ZINC000657933572 411172454 /nfs/dbraw/zinc/17/24/54/411172454.db2.gz SOGVZZSPZYIOGH-LLVKDONJSA-N 1 0 224.308 0.849 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)Cn1cncn1 ZINC000658030859 411208277 /nfs/dbraw/zinc/20/82/77/411208277.db2.gz VQXQHHDGOVUYBR-TUAOUCFPSA-N 1 0 236.319 0.990 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C[C@H](C)O)C1CC1 ZINC000653896288 411212622 /nfs/dbraw/zinc/21/26/22/411212622.db2.gz PDBZQAFXNPHPLV-VIFPVBQESA-N 1 0 212.293 0.134 20 30 BCEDRO N#CCC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000611687953 411225814 /nfs/dbraw/zinc/22/58/14/411225814.db2.gz CPPYTDKSVOSNCZ-UHFFFAOYSA-N 1 0 245.348 0.291 20 30 BCEDRO C#CCN(CC#C)CC(=O)N1C[C@H](C)O[C@@H](C)C1 ZINC000267703180 411230283 /nfs/dbraw/zinc/23/02/83/411230283.db2.gz UTLJBKFSEDUQIL-STQMWFEESA-N 1 0 248.326 0.191 20 30 BCEDRO C=CCCCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000310329200 411233646 /nfs/dbraw/zinc/23/36/46/411233646.db2.gz ZSDIOLREAKVDQI-CYBMUJFWSA-N 1 0 242.363 0.625 20 30 BCEDRO C=CCCOCC(=O)NCC[NH2+]CCC ZINC000309837935 411268420 /nfs/dbraw/zinc/26/84/20/411268420.db2.gz MVUKXBNYHLLIAQ-UHFFFAOYSA-N 1 0 214.309 0.695 20 30 BCEDRO CC#CCNCc1cn(Cc2cnns2)nn1 ZINC000656461663 411270949 /nfs/dbraw/zinc/27/09/49/411270949.db2.gz LJGHMUFLUANJQO-UHFFFAOYSA-N 1 0 248.315 0.291 20 30 BCEDRO C=C(CC)Cn1cc(C[C@H]([NH3+])CO)nn1 ZINC000656453804 411276390 /nfs/dbraw/zinc/27/63/90/411276390.db2.gz XEZSSLHAYMKWFG-VIFPVBQESA-N 1 0 210.281 0.106 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H]2C[C@H](O)C2(C)C)C1=O ZINC000653742262 411295507 /nfs/dbraw/zinc/29/55/07/411295507.db2.gz WJAVPENBLUCQSG-DCAQKATOSA-N 1 0 238.331 0.522 20 30 BCEDRO C=CCCS(=O)(=O)NCC12CC(C1)C[NH2+]2 ZINC000658404664 411358114 /nfs/dbraw/zinc/35/81/14/411358114.db2.gz VRVRAUWSSPTCCN-UHFFFAOYSA-N 1 0 230.333 0.234 20 30 BCEDRO C=CCN(C(=O)[C@@H](C)C[NH3+])[C@@H](C)COC ZINC000659338753 411365993 /nfs/dbraw/zinc/36/59/93/411365993.db2.gz AOIMDFOVRXAYAD-UWVGGRQHSA-N 1 0 214.309 0.631 20 30 BCEDRO C=CCN(C(=O)CC[NH3+])[C@@H](C)COC ZINC000659340816 411369582 /nfs/dbraw/zinc/36/95/82/411369582.db2.gz XTBFAAUPXDUOSL-VIFPVBQESA-N 1 0 200.282 0.385 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NC1CCCC1 ZINC000662167529 411370804 /nfs/dbraw/zinc/37/08/04/411370804.db2.gz HRKAZTLCSWUWNZ-SECBINFHSA-N 1 0 212.293 0.182 20 30 BCEDRO C=C[C@H](CO)NCCC[NH+]1CCCCC1 ZINC000662168690 411372341 /nfs/dbraw/zinc/37/23/41/411372341.db2.gz QUTVRWLXYVHWGA-GFCCVEGCSA-N 1 0 212.337 0.999 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)C[NH2+]C ZINC000658410947 411378244 /nfs/dbraw/zinc/37/82/44/411378244.db2.gz MKSRURYHVHIGOM-QMMMGPOBSA-N 1 0 206.311 0.090 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H](C)C[NH2+]C ZINC000659358310 411374402 /nfs/dbraw/zinc/37/44/02/411374402.db2.gz GZTHGPZZVBZDCM-JTQLQIEISA-N 1 0 214.309 0.551 20 30 BCEDRO C=CCOCCCNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000659358767 411374942 /nfs/dbraw/zinc/37/49/42/411374942.db2.gz LHHXDWOYUQWKOY-LLVKDONJSA-N 1 0 242.319 0.074 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)CCCNS(=O)(=O)CC ZINC000491678873 411395662 /nfs/dbraw/zinc/39/56/62/411395662.db2.gz VQWQDGWKLJSHOK-UHFFFAOYSA-N 1 0 246.376 0.659 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@@H](O)CC(=O)OCC ZINC000382550934 411395827 /nfs/dbraw/zinc/39/58/27/411395827.db2.gz UXDPXLLJIDLJJC-JTQLQIEISA-N 1 0 215.293 0.808 20 30 BCEDRO C=CCN(C(=O)[C@@H](C)C[NH2+]C)[C@H](C)COC ZINC000659339521 411398189 /nfs/dbraw/zinc/39/81/89/411398189.db2.gz ISWYAOJGAOMRLK-WDEREUQCSA-N 1 0 228.336 0.891 20 30 BCEDRO C=CCOCCNC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000659384867 411408958 /nfs/dbraw/zinc/40/89/58/411408958.db2.gz ZRQWKLLHHATDKV-NSHDSACASA-N 1 0 242.319 0.074 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659390545 411411407 /nfs/dbraw/zinc/41/14/07/411411407.db2.gz ZZDOMRBARRSYHN-GMTAPVOTSA-N 1 0 244.310 0.865 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)NCC#Cc1ccccc1 ZINC000659431728 411413967 /nfs/dbraw/zinc/41/39/67/411413967.db2.gz WXCNVXWNKYKFKS-LBPRGKRZSA-N 1 0 245.326 0.945 20 30 BCEDRO C=CCCn1cc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)nn1 ZINC000653501646 411414118 /nfs/dbraw/zinc/41/41/18/411414118.db2.gz DKELHJPKCNMIRN-RYUDHWBXSA-N 1 0 247.346 0.505 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)C[NH2+]C ZINC000659500718 411421958 /nfs/dbraw/zinc/42/19/58/411421958.db2.gz FTAGRJFESILLLD-AXFHLTTASA-N 1 0 241.335 0.627 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](c2nccn2C)C1 ZINC000653590499 411425528 /nfs/dbraw/zinc/42/55/28/411425528.db2.gz FKBGQSMKTYFEMF-LBPRGKRZSA-N 1 0 233.315 0.859 20 30 BCEDRO C=CCN(C(=O)NCC[NH2+]CC)[C@H](C)COC ZINC000659515817 411426035 /nfs/dbraw/zinc/42/60/35/411426035.db2.gz YNGSVKHLNJZZHC-LLVKDONJSA-N 1 0 243.351 0.828 20 30 BCEDRO C=CCCNC(=O)N1CCC(C[NH3+])CC1 ZINC000659562252 411431639 /nfs/dbraw/zinc/43/16/39/411431639.db2.gz GIOXMLVYUOJFHA-UHFFFAOYSA-N 1 0 211.309 0.943 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000659562080 411435927 /nfs/dbraw/zinc/43/59/27/411435927.db2.gz FSOJALPFCHGOCR-NXEZZACHSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659561634 411436194 /nfs/dbraw/zinc/43/61/94/411436194.db2.gz PMQYDQYQZKPGPS-UHFFFAOYSA-N 1 0 209.293 0.695 20 30 BCEDRO C=CCCNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000659563154 411436571 /nfs/dbraw/zinc/43/65/71/411436571.db2.gz PZIIRMOPWCSVMK-NXEZZACHSA-N 1 0 227.308 0.320 20 30 BCEDRO C=CCCNC(=O)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000659563097 411436666 /nfs/dbraw/zinc/43/66/66/411436666.db2.gz PMGYXOZUDLNACK-LBPRGKRZSA-N 1 0 223.320 0.958 20 30 BCEDRO CC#CCN(C)C(=O)NCC1([NH3+])CCCC1 ZINC000659577320 411439403 /nfs/dbraw/zinc/43/94/03/411439403.db2.gz KOAYUMIFCXZOSK-UHFFFAOYSA-N 1 0 223.320 0.923 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@@H](C)O)nn1 ZINC000657284643 411443255 /nfs/dbraw/zinc/44/32/55/411443255.db2.gz RPGLVIRUXAJWMI-SECBINFHSA-N 1 0 210.281 0.325 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@H]([NH3+])C(C)C ZINC000418401332 411449668 /nfs/dbraw/zinc/44/96/68/411449668.db2.gz HWJUBSOCJRCENZ-MNOVXSKESA-N 1 0 243.351 0.596 20 30 BCEDRO C=C(C)CN(CC)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659752728 411449809 /nfs/dbraw/zinc/44/98/09/411449809.db2.gz NHHZZYHLAPBZCJ-JTQLQIEISA-N 1 0 241.335 0.135 20 30 BCEDRO C=CCCn1cc(CNC[C@H](C)[NH+](C)C)nn1 ZINC000657347918 411475240 /nfs/dbraw/zinc/47/52/40/411475240.db2.gz HOLYZYFCHJDNHA-NSHDSACASA-N 1 0 237.351 0.894 20 30 BCEDRO C=CCCn1cc(C[NH2+]CC[C@@H](C)O)nn1 ZINC000657362107 411480048 /nfs/dbraw/zinc/48/00/48/411480048.db2.gz OUISMNVNMYYAAD-SNVBAGLBSA-N 1 0 224.308 0.715 20 30 BCEDRO Cn1cc(C[NH2+][C@@H]2CCCNC2=O)cc1C#N ZINC000232315081 411494955 /nfs/dbraw/zinc/49/49/55/411494955.db2.gz RSIBZIIYLNXZGT-LLVKDONJSA-N 1 0 232.287 0.265 20 30 BCEDRO CC#CCN(C)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000655116339 411498315 /nfs/dbraw/zinc/49/83/15/411498315.db2.gz RXCIRFHKFGDJPQ-UHFFFAOYSA-N 1 0 248.330 0.540 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1nc(C)c[nH]1 ZINC000657426356 411504436 /nfs/dbraw/zinc/50/44/36/411504436.db2.gz BPCZSLOPWMBWEG-SNVBAGLBSA-N 1 0 209.293 0.992 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000660025943 411529603 /nfs/dbraw/zinc/52/96/03/411529603.db2.gz CGHKOTGMLJCFJQ-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc(CC)nc1 ZINC000657791324 411597506 /nfs/dbraw/zinc/59/75/06/411597506.db2.gz BNXAGEGUEFRUTG-SNVBAGLBSA-N 1 0 207.277 0.676 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnn2c1CCC2 ZINC000657793695 411598568 /nfs/dbraw/zinc/59/85/68/411598568.db2.gz JXNNIODZZIVHOR-SNVBAGLBSA-N 1 0 207.277 0.466 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccnn1CC1CC1 ZINC000657793153 411598733 /nfs/dbraw/zinc/59/87/33/411598733.db2.gz FZKVRYUKFKNUIU-LLVKDONJSA-N 1 0 221.304 0.930 20 30 BCEDRO COCC#CC[NH2+]C1(COC)CCOCC1 ZINC000660634234 411610209 /nfs/dbraw/zinc/61/02/09/411610209.db2.gz JREMFAFEXHUNBR-UHFFFAOYSA-N 1 0 227.304 0.421 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCOCCO ZINC000660736172 411619834 /nfs/dbraw/zinc/61/98/34/411619834.db2.gz FJJUIQRKMQKPLQ-MNOVXSKESA-N 1 0 215.293 0.319 20 30 BCEDRO Cc1ccc(NCCCC[NH3+])nc1C#N ZINC000420244519 411687956 /nfs/dbraw/zinc/68/79/56/411687956.db2.gz YMKOODIPZWKFIH-UHFFFAOYSA-N 1 0 204.277 1.413 20 30 BCEDRO Cc1ccc(NCC2([NH3+])CCC2)nc1C#N ZINC000420228234 411688655 /nfs/dbraw/zinc/68/86/55/411688655.db2.gz KUFPNHRZCSUSMT-UHFFFAOYSA-N 1 0 216.288 1.555 20 30 BCEDRO Cc1ccc(NC[C@H]2COCC[NH2+]2)nc1C#N ZINC000600954305 411693305 /nfs/dbraw/zinc/69/33/05/411693305.db2.gz XBTXUYARJABKBE-JTQLQIEISA-N 1 0 232.287 0.662 20 30 BCEDRO C=CC[N@@H+](CCN1CCOCC1)[C@H](C)COC ZINC000661243751 411735154 /nfs/dbraw/zinc/73/51/54/411735154.db2.gz MPVPXMSKAVPKEZ-CYBMUJFWSA-N 1 0 242.363 0.842 20 30 BCEDRO C=CCN(C[C@H](O)C[N@@H+](C)CC)[C@H](C)COC ZINC000661239764 411740678 /nfs/dbraw/zinc/74/06/78/411740678.db2.gz JBPVWOLAELJWJV-CHWSQXEVSA-N 1 0 244.379 0.822 20 30 BCEDRO C=CC[N@@H+](C[C@@H](O)COC)[C@@H](C)COC ZINC000661240922 411741601 /nfs/dbraw/zinc/74/16/01/411741601.db2.gz SXOMHXUAFFEHLH-WDEREUQCSA-N 1 0 217.309 0.517 20 30 BCEDRO C=CC[N@@H+](CCC(=O)NC)[C@H](C)COC ZINC000661243646 411742432 /nfs/dbraw/zinc/74/24/32/411742432.db2.gz MBVQTKMHVKVEOT-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO CC[C@H](C#N)C(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000593441426 411744353 /nfs/dbraw/zinc/74/43/53/411744353.db2.gz SRJNILPENFOMKA-SNVBAGLBSA-N 1 0 249.318 0.933 20 30 BCEDRO CCc1cc(NC(=O)[C@H]([NH3+])CCCCC#N)n[nH]1 ZINC000594468064 411766863 /nfs/dbraw/zinc/76/68/63/411766863.db2.gz IOFLRRPAGHKCLL-SNVBAGLBSA-N 1 0 249.318 1.322 20 30 BCEDRO CCc1nc(C#N)cc(NCC(C)(C)[NH2+]C)n1 ZINC000596176068 411784184 /nfs/dbraw/zinc/78/41/84/411784184.db2.gz ZPRTZIHHIYNPEX-UHFFFAOYSA-N 1 0 233.319 1.321 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CCO ZINC000661487737 411785957 /nfs/dbraw/zinc/78/59/57/411785957.db2.gz ICDZJBMRDZBWOX-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CO)C1CCC1 ZINC000661153367 411721173 /nfs/dbraw/zinc/72/11/73/411721173.db2.gz HCXZQDDJGGMQBA-JTQLQIEISA-N 1 0 212.293 0.039 20 30 BCEDRO COCC#CC[NH2+][C@@H](COC)C1CCOCC1 ZINC000661158721 411722679 /nfs/dbraw/zinc/72/26/79/411722679.db2.gz QGOYFPBFXBCZCB-ZDUSSCGKSA-N 1 0 241.331 0.667 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661599836 411812532 /nfs/dbraw/zinc/81/25/32/411812532.db2.gz FNUCMJGOIAJIEP-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO C[C@@H](CCNc1ccc(C#N)nn1)[NH+](C)C ZINC000596432524 411818224 /nfs/dbraw/zinc/81/82/24/411818224.db2.gz QHHWSDNMGILNIE-VIFPVBQESA-N 1 0 219.292 1.100 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620915 411819746 /nfs/dbraw/zinc/81/97/46/411819746.db2.gz BGMBYKDMJMZQLY-IAZYJMLFSA-N 1 0 226.320 0.237 20 30 BCEDRO C=CC[NH+]1CCC(Nc2nc(C)nc(N)n2)CC1 ZINC000631110253 411847949 /nfs/dbraw/zinc/84/79/49/411847949.db2.gz WWBVBHRTSNBJGG-UHFFFAOYSA-N 1 0 248.334 0.825 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)Cc1nccc(N)n1 ZINC000411643530 411849098 /nfs/dbraw/zinc/84/90/98/411849098.db2.gz OYIWHHVWDWTFAJ-UHFFFAOYSA-N 1 0 249.362 0.999 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)N(C)C)C1 ZINC000662013729 411941882 /nfs/dbraw/zinc/94/18/82/411941882.db2.gz LBVXMEZXECQUOG-SNVBAGLBSA-N 1 0 211.309 0.860 20 30 BCEDRO OCC1(CO)CC[N@H+](CC#Cc2ccccc2)C1 ZINC000661950171 411919072 /nfs/dbraw/zinc/91/90/72/411919072.db2.gz KNZSVSSSXVOQRD-UHFFFAOYSA-N 1 0 245.322 0.715 20 30 BCEDRO N#Cc1nc(N)n(CC[C@@H]2CC[NH2+]C2)c1C#N ZINC000566182105 411973460 /nfs/dbraw/zinc/97/34/60/411973460.db2.gz AESPUEJRQRMJDA-QMMMGPOBSA-N 1 0 230.275 0.208 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NC1CCCCC1 ZINC000662165289 412014320 /nfs/dbraw/zinc/01/43/20/412014320.db2.gz DIPJQWAXSKOGDU-SNVBAGLBSA-N 1 0 226.320 0.572 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCc1ccc(C)cc1 ZINC000662165720 412015043 /nfs/dbraw/zinc/01/50/43/412015043.db2.gz MWXRRUUWGSMYDJ-CYBMUJFWSA-N 1 0 248.326 0.748 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N(CC)CC(=C)C ZINC000662166152 412015057 /nfs/dbraw/zinc/01/50/57/412015057.db2.gz SWBGAVHOFOUWNO-NWDGAFQWSA-N 1 0 240.347 0.936 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N[C@@H](C)CC ZINC000662165575 412015240 /nfs/dbraw/zinc/01/52/40/412015240.db2.gz JPZPZGDUZCQILE-IVZWLZJFSA-N 1 0 214.309 0.426 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCC(=O)NCCC ZINC000662168335 412015828 /nfs/dbraw/zinc/01/58/28/412015828.db2.gz BSOCILPLHPXEHW-SNVBAGLBSA-N 1 0 214.309 0.429 20 30 BCEDRO C=CCCNC(=O)NCCOCC[NH+](C)C ZINC000664730824 412016414 /nfs/dbraw/zinc/01/64/14/412016414.db2.gz AKTBRLWJWFQYEL-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCN(CC)CC1 ZINC000665066516 412079281 /nfs/dbraw/zinc/07/92/81/412079281.db2.gz AEYHWPHWSGQSLP-NSHDSACASA-N 1 0 212.293 0.088 20 30 BCEDRO C=CCN1CC[C@H](N(C)CC(C)(C)[NH3+])C1=O ZINC000662292861 412081136 /nfs/dbraw/zinc/08/11/36/412081136.db2.gz BDTHHJFOAVXMCJ-JTQLQIEISA-N 1 0 225.336 0.442 20 30 BCEDRO C=CCN(C[C@H]1C[NH2+]CCO1)[C@H](C)COC ZINC000662298935 412086049 /nfs/dbraw/zinc/08/60/49/412086049.db2.gz HQBOKFSYDWFSKK-VXGBXAGGSA-N 1 0 228.336 0.498 20 30 BCEDRO C=CCNC(=O)CN(C)[C@H](C[NH3+])C(F)(F)F ZINC000662327393 412104712 /nfs/dbraw/zinc/10/47/12/412104712.db2.gz HYZOHBIQWJZUNM-SSDOTTSWSA-N 1 0 239.241 0.110 20 30 BCEDRO C=CCNc1ncc(C(=O)NC[C@H](C)[NH3+])s1 ZINC000647021544 412135230 /nfs/dbraw/zinc/13/52/30/412135230.db2.gz RZKADXZJGJAVSC-ZETCQYMHSA-N 1 0 240.332 0.818 20 30 BCEDRO C=CC[C@]1(C(=O)NCCOCC)CCC[NH2+]1 ZINC000662468877 412186683 /nfs/dbraw/zinc/18/66/83/412186683.db2.gz UZXPVHVGANZSJP-GFCCVEGCSA-N 1 0 226.320 0.837 20 30 BCEDRO C[C@H](CCNc1ccc(C#N)nn1)[NH+](C)C ZINC000596432523 412198951 /nfs/dbraw/zinc/19/89/51/412198951.db2.gz QHHWSDNMGILNIE-SECBINFHSA-N 1 0 219.292 1.100 20 30 BCEDRO C=CC[C@]1(C(=O)N2CCCOCC2)CCC[NH2+]1 ZINC000662508618 412199076 /nfs/dbraw/zinc/19/90/76/412199076.db2.gz XUFXTWORWMWBNQ-CYBMUJFWSA-N 1 0 238.331 0.934 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](CC)[NH2+]C ZINC000662522515 412203754 /nfs/dbraw/zinc/20/37/54/412203754.db2.gz UGRCGBQDTGYTJN-AXFHLTTASA-N 1 0 226.320 0.692 20 30 BCEDRO C=CCOCCC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000665263791 412207503 /nfs/dbraw/zinc/20/75/03/412207503.db2.gz UVIFZIATKOCKOH-CHWSQXEVSA-N 1 0 242.363 0.936 20 30 BCEDRO COCC#CC[N@H+](C[C@H]1CCC(=O)N1)C(C)C ZINC000665266293 412208408 /nfs/dbraw/zinc/20/84/08/412208408.db2.gz RNYLGOLTZQHIBZ-GFCCVEGCSA-N 1 0 238.331 0.625 20 30 BCEDRO C[NH+](C)C1(CNc2ccc(C#N)c(N)n2)CCC1 ZINC000582311646 412152161 /nfs/dbraw/zinc/15/21/61/412152161.db2.gz SRYQJXLMOHBFNA-UHFFFAOYSA-N 1 0 245.330 1.432 20 30 BCEDRO C[C@@H]1C[C@H](Nc2cc(C#N)cnn2)C[N@@H+]1C1CC1 ZINC000596157306 412160541 /nfs/dbraw/zinc/16/05/41/412160541.db2.gz XWHUATUWXMYBLZ-KOLCDFICSA-N 1 0 243.314 1.385 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1Nc1ccc(C#N)c(N)n1 ZINC000600674195 412164313 /nfs/dbraw/zinc/16/43/13/412164313.db2.gz DVRSFMXRRXJFNN-IONNQARKSA-N 1 0 217.276 0.698 20 30 BCEDRO C=CC[C@]1(C(=O)NCCCOC)CCC[NH2+]1 ZINC000662433478 412170404 /nfs/dbraw/zinc/17/04/04/412170404.db2.gz HSAYAEMUZJHAED-GFCCVEGCSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCOCCCNC(=O)C[C@@H]1CCC[NH2+]1 ZINC000662665058 412263369 /nfs/dbraw/zinc/26/33/69/412263369.db2.gz ZRBVFLDSICMRAT-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCOCCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000662665057 412263732 /nfs/dbraw/zinc/26/37/32/412263732.db2.gz ZRBVFLDSICMRAT-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CC[C@@]1(C(=O)NCCn2ccnc2)CCC[NH2+]1 ZINC000662664578 412263768 /nfs/dbraw/zinc/26/37/68/412263768.db2.gz SMHKEZLQHKKECS-ZDUSSCGKSA-N 1 0 248.330 0.698 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]([NH3+])CC(F)F ZINC000662665047 412263921 /nfs/dbraw/zinc/26/39/21/412263921.db2.gz ZPLAYYNYRNVEJY-MRVPVSSYSA-N 1 0 236.262 0.678 20 30 BCEDRO C[C@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc(C#N)cnn1 ZINC000596161301 412266699 /nfs/dbraw/zinc/26/66/99/412266699.db2.gz HCAMIULDWTWOQY-CABZTGNLSA-N 1 0 243.314 1.243 20 30 BCEDRO C[NH2+]C1(CNc2nc(C)cc(C#N)n2)CCC1 ZINC000598633441 412288911 /nfs/dbraw/zinc/28/89/11/412288911.db2.gz NFNKYYRBPREFOA-UHFFFAOYSA-N 1 0 231.303 1.211 20 30 BCEDRO N#Cc1ccc(NC[C@@H]2CSCC[NH2+]2)nn1 ZINC000603419723 412272719 /nfs/dbraw/zinc/27/27/19/412272719.db2.gz PRNCGQPIIZCVNN-SECBINFHSA-N 1 0 235.316 0.465 20 30 BCEDRO C[NH2+]C1(CNc2cc(C#N)ncn2)CCC1 ZINC000598634185 412289040 /nfs/dbraw/zinc/28/90/40/412289040.db2.gz SDGGGZNDGAXVKI-UHFFFAOYSA-N 1 0 217.276 0.902 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000662710057 412274331 /nfs/dbraw/zinc/27/43/31/412274331.db2.gz FUODNVMSAFQBBL-JQWIXIFHSA-N 1 0 224.304 0.305 20 30 BCEDRO C=CCOCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662720405 412283379 /nfs/dbraw/zinc/28/33/79/412283379.db2.gz ZJNDUBJAKRRILN-UHFFFAOYSA-N 1 0 210.277 0.057 20 30 BCEDRO C=CCOCC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000662728602 412285711 /nfs/dbraw/zinc/28/57/11/412285711.db2.gz SWSIVWXBYDNJMS-SNVBAGLBSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CC[C@@]1(C(=O)NCC2(CO)CC2)CCC[NH2+]1 ZINC000662595293 412234166 /nfs/dbraw/zinc/23/41/66/412234166.db2.gz ZYQNBLUNUIKZKE-ZDUSSCGKSA-N 1 0 238.331 0.573 20 30 BCEDRO C=CC[C@@]1(C(=O)N(C)CC[C@H](C)O)CCC[NH2+]1 ZINC000662611540 412240490 /nfs/dbraw/zinc/24/04/90/412240490.db2.gz AKIZIZRUGRSSIQ-AAEUAGOBSA-N 1 0 240.347 0.914 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+]CCNc2cnccn2)C1 ZINC000447581765 412246188 /nfs/dbraw/zinc/24/61/88/412246188.db2.gz VYQGUZPNHQIOJN-RYUDHWBXSA-N 1 0 245.330 1.560 20 30 BCEDRO C=CC[C@@H]1CCCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000662630454 412250545 /nfs/dbraw/zinc/25/05/45/412250545.db2.gz JMDVXSDRWXWJMD-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C[N@@H+]1CCCC[C@H](CNc2cc(C#N)cnn2)C1 ZINC000599141410 412251353 /nfs/dbraw/zinc/25/13/53/412251353.db2.gz MILWXUPOBHFTCI-LLVKDONJSA-N 1 0 245.330 1.492 20 30 BCEDRO C[N@@H+]1CCC[C@H](CCNc2nccnc2C#N)C1 ZINC000413434881 412251499 /nfs/dbraw/zinc/25/14/99/412251499.db2.gz GQVLEFQWPCCUEA-LLVKDONJSA-N 1 0 245.330 1.492 20 30 BCEDRO C[N@@H+]1CCC[C@H](CCNc2cc(C#N)cnn2)C1 ZINC000596271505 412252634 /nfs/dbraw/zinc/25/26/34/412252634.db2.gz RDFCZMDAWBHSCF-LLVKDONJSA-N 1 0 245.330 1.492 20 30 BCEDRO C[N@@H+]1CCC[C@H](CNc2ccc(C#N)c(N)n2)C1 ZINC000573740882 412252739 /nfs/dbraw/zinc/25/27/39/412252739.db2.gz CZYASAPKAVLLKK-SNVBAGLBSA-N 1 0 245.330 1.289 20 30 BCEDRO C=C1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662828151 412313673 /nfs/dbraw/zinc/31/36/73/412313673.db2.gz SZYLWNHSOHPNTM-WDEREUQCSA-N 1 0 224.304 0.529 20 30 BCEDRO C=CCCCCCNC(=O)C1(O)C[NH2+]C1 ZINC000662831192 412314234 /nfs/dbraw/zinc/31/42/34/412314234.db2.gz LCNWOUXTHNKLFG-UHFFFAOYSA-N 1 0 212.293 0.183 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CC[NH+](CCC)CC1 ZINC000665463880 412329426 /nfs/dbraw/zinc/32/94/26/412329426.db2.gz QOAPEGYWJSCISH-LLVKDONJSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCC(C)(C)NC(=O)[C@H]1C[NH2+]CCO1 ZINC000662953282 412353868 /nfs/dbraw/zinc/35/38/68/412353868.db2.gz LWCQYPXHGJYPQQ-SNVBAGLBSA-N 1 0 226.320 0.836 20 30 BCEDRO COCCC[N@H+](C)CCNc1cc(C#N)cnn1 ZINC000596141298 412357047 /nfs/dbraw/zinc/35/70/47/412357047.db2.gz LPEFUDQZFKBXNZ-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO C[NH2+]CCNc1ncc(Cl)c(C)c1C#N ZINC000420161550 412292146 /nfs/dbraw/zinc/29/21/46/412292146.db2.gz WDZIVCBRWNSCBF-UHFFFAOYSA-N 1 0 224.695 1.546 20 30 BCEDRO Cc1cc(C#N)nc(NC[C@H](C2CC2)[NH+](C)C)n1 ZINC000587881985 412301596 /nfs/dbraw/zinc/30/15/96/412301596.db2.gz KKMOCCIXSPMRGR-GFCCVEGCSA-N 1 0 245.330 1.409 20 30 BCEDRO C=CC[C@]1(C(=O)NC[C@@H](C)OC)CCC[NH2+]1 ZINC000662791013 412303767 /nfs/dbraw/zinc/30/37/67/412303767.db2.gz IAQJPJXDUCDDTK-ZYHUDNBSSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCOCCCC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663011459 412370169 /nfs/dbraw/zinc/37/01/69/412370169.db2.gz VAZAMQNKUDTUOR-GFCCVEGCSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000133021628 412390848 /nfs/dbraw/zinc/39/08/48/412390848.db2.gz UQSPYHNKGVPRIJ-NXEZZACHSA-N 1 0 212.293 0.527 20 30 BCEDRO CN(C(=[NH2+])N[C@@H]1C[C@@H](O)C1(C)C)C1CC1 ZINC000186874921 172292585 /nfs/dbraw/zinc/29/25/85/172292585.db2.gz BXIURJHUQJEHOQ-RKDXNWHRSA-N 1 0 211.309 0.555 20 30 BCEDRO CN(C)C(=O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000037207924 172370799 /nfs/dbraw/zinc/37/07/99/172370799.db2.gz VJZSIJSEGFGGOI-UHFFFAOYSA-N 1 0 217.272 0.736 20 30 BCEDRO Cn1ncc(C(=O)NC[C@H]2CCC[N@@H+]2C)c1C#N ZINC000356094477 173031078 /nfs/dbraw/zinc/03/10/78/173031078.db2.gz LXTBZWCFONPQGO-SECBINFHSA-N 1 0 247.302 0.116 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNc1ccc(C#N)nn1 ZINC000301960715 173055854 /nfs/dbraw/zinc/05/58/54/173055854.db2.gz HQWDPDDDLQJQOT-JTQLQIEISA-N 1 0 217.276 0.854 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNc1cnc(C#N)cn1 ZINC000227052103 173075834 /nfs/dbraw/zinc/07/58/34/173075834.db2.gz WAKMZVBFKXNRQT-NSHDSACASA-N 1 0 246.318 0.006 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNc1ncccc1C#N ZINC000225346687 173077560 /nfs/dbraw/zinc/07/75/60/173077560.db2.gz TWIWGFHWKTWVLF-LBPRGKRZSA-N 1 0 245.330 0.611 20 30 BCEDRO C[NH+]1CCN(CCNc2cnc(C#N)cn2)CC1 ZINC000071177836 173081336 /nfs/dbraw/zinc/08/13/36/173081336.db2.gz KOBWXENQRBAVEL-UHFFFAOYSA-N 1 0 246.318 0.008 20 30 BCEDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(C#N)o2)C1 ZINC000358150571 173138112 /nfs/dbraw/zinc/13/81/12/173138112.db2.gz AVDMQNURIBMXKE-GFCCVEGCSA-N 1 0 235.287 0.307 20 30 BCEDRO Cn1cc(CNC[C@]2(O)CC[N@H+](C)C2)cc1C#N ZINC000359700792 173140099 /nfs/dbraw/zinc/14/00/99/173140099.db2.gz QGBBZVNXTKDEQV-CYBMUJFWSA-N 1 0 248.330 0.053 20 30 BCEDRO C[N@@H+]1CC[C@H](CNc2nccnc2C#N)C1 ZINC000054377428 173147647 /nfs/dbraw/zinc/14/76/47/173147647.db2.gz CBTDPJFEOLAGID-SECBINFHSA-N 1 0 217.276 0.712 20 30 BCEDRO CN1C[C@H]([NH2+]Cc2ccc(C#N)o2)CCC1=O ZINC000135190263 173194656 /nfs/dbraw/zinc/19/46/56/173194656.db2.gz IOGPLJMSHCELEJ-SECBINFHSA-N 1 0 233.271 0.862 20 30 BCEDRO CNC(=O)C1CN(Cc2ccc(C#N)cc2)C1 ZINC000274499561 173227729 /nfs/dbraw/zinc/22/77/29/173227729.db2.gz HQUUNRHQAOLGMY-UHFFFAOYSA-N 1 0 229.283 0.736 20 30 BCEDRO CNC(=O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000293220371 173276823 /nfs/dbraw/zinc/27/68/23/173276823.db2.gz PWHSOUNMAOAFQB-UHFFFAOYSA-N 1 0 229.283 0.883 20 30 BCEDRO C[NH2+]CCCNC(=O)c1ccc(C#N)cc1 ZINC000036280157 173348937 /nfs/dbraw/zinc/34/89/37/173348937.db2.gz YVYFIFJLTUFPJN-UHFFFAOYSA-N 1 0 217.272 0.898 20 30 BCEDRO C[NH2+]CCN(C)C(=O)c1ccc(C#N)cc1 ZINC000069801654 173352252 /nfs/dbraw/zinc/35/22/52/173352252.db2.gz LDDYPXKTZUHLEC-UHFFFAOYSA-N 1 0 217.272 0.850 20 30 BCEDRO C[NH2+]CCN(C)c1nc(C)ccc1C#N ZINC000069802662 173353843 /nfs/dbraw/zinc/35/38/43/173353843.db2.gz GEVJKXMPANGEJW-UHFFFAOYSA-N 1 0 204.277 0.917 20 30 BCEDRO COCC(C)(C)C[NH2+]CCn1cnc(C#N)n1 ZINC000353044488 174072939 /nfs/dbraw/zinc/07/29/39/174072939.db2.gz GBPILYUDWHTRLZ-UHFFFAOYSA-N 1 0 237.307 0.412 20 30 BCEDRO COCC[N@H+](C)CCNc1nc(C)cc(C#N)n1 ZINC000231900767 174278396 /nfs/dbraw/zinc/27/83/96/174278396.db2.gz GORWMVTURAFFQY-UHFFFAOYSA-N 1 0 249.318 0.647 20 30 BCEDRO COCC[N@H+](C)CCNc1cnc(C#N)cn1 ZINC000071178113 174279269 /nfs/dbraw/zinc/27/92/69/174279269.db2.gz OSJZUZPCEQPXAL-UHFFFAOYSA-N 1 0 235.291 0.338 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000193686908 176183410 /nfs/dbraw/zinc/18/34/10/176183410.db2.gz SVTAYPBXASKYEO-BXKDBHETSA-N 1 0 246.314 0.511 20 30 BCEDRO C[C@@H]1CCNC(=O)[C@H]1NCc1ccc(C#N)o1 ZINC000193692540 176184478 /nfs/dbraw/zinc/18/44/78/176184478.db2.gz MHLWTVFWCJZKGZ-KCJUWKMLSA-N 1 0 233.271 0.765 20 30 BCEDRO C[C@@H]1C[N@H+](CCOCCC#N)CC[C@@H]1O ZINC000339099374 176292485 /nfs/dbraw/zinc/29/24/85/176292485.db2.gz MZGUHFCHUAHXPS-MNOVXSKESA-N 1 0 212.293 0.619 20 30 BCEDRO C[C@@H]1C[N@H+](CCOCCC#N)C[C@@H]1CO ZINC000339129065 176292622 /nfs/dbraw/zinc/29/26/22/176292622.db2.gz RZAHWVJXIFRPHN-GHMZBOCLSA-N 1 0 212.293 0.477 20 30 BCEDRO C[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000020052655 177082912 /nfs/dbraw/zinc/08/29/12/177082912.db2.gz QGWWIJPKMMPPOK-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000193686954 177173429 /nfs/dbraw/zinc/17/34/29/177173429.db2.gz SVTAYPBXASKYEO-CABZTGNLSA-N 1 0 246.314 0.511 20 30 BCEDRO C[C@H]1C[N@H+](CCOCCC#N)CC[C@@H]1O ZINC000339099375 177252455 /nfs/dbraw/zinc/25/24/55/177252455.db2.gz MZGUHFCHUAHXPS-QWRGUYRKSA-N 1 0 212.293 0.619 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cnc(C#N)cn1 ZINC000408053583 177277205 /nfs/dbraw/zinc/27/72/05/177277205.db2.gz HQGDWNKUYXYSJI-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@H]1C[C@@H](N(C)C(=O)CC#N)CC[N@@H+]1C ZINC000356818001 177326091 /nfs/dbraw/zinc/32/60/91/177326091.db2.gz GMZJRIKKSCCCHE-UWVGGRQHSA-N 1 0 209.293 0.841 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000493136280 226135948 /nfs/dbraw/zinc/13/59/48/226135948.db2.gz DFAJEHNIRXTKIS-MJKAUQOVSA-N 1 0 221.304 0.913 20 30 BCEDRO N#Cc1cncc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000401232385 226353982 /nfs/dbraw/zinc/35/39/82/226353982.db2.gz OJUDSXNFMIGBRZ-SECBINFHSA-N 1 0 229.287 0.997 20 30 BCEDRO COCC[N@H+](C)CCNc1cncc(C#N)n1 ZINC000401283571 226354618 /nfs/dbraw/zinc/35/46/18/226354618.db2.gz HFLHUYSAGSLDAR-UHFFFAOYSA-N 1 0 235.291 0.338 20 30 BCEDRO C[NH+](C)C[C@@H]1CCCN1c1cncc(C#N)n1 ZINC000401437600 226356859 /nfs/dbraw/zinc/35/68/59/226356859.db2.gz YGHQIOVXYVBXPU-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000226035012 487653538 /nfs/dbraw/zinc/65/35/38/487653538.db2.gz FPVXMUCYTSWZFN-SDDRHHMPSA-N 1 0 239.363 0.736 20 30 BCEDRO N#Cc1cncc(N2CCC[C@H](CC[NH3+])C2)n1 ZINC000401523321 487654731 /nfs/dbraw/zinc/65/47/31/487654731.db2.gz RYAKULUOXWUQDZ-SNVBAGLBSA-N 1 0 231.303 0.913 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](O)C=C)CC1 ZINC000668368895 487658033 /nfs/dbraw/zinc/65/80/33/487658033.db2.gz JVLKWYXAHULCAK-NSHDSACASA-N 1 0 224.304 0.300 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+](CC)CCOCCO ZINC000669695745 487686839 /nfs/dbraw/zinc/68/68/39/487686839.db2.gz AFLFVEWFVKSWLT-LLVKDONJSA-N 1 0 217.309 0.254 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000671696554 487695191 /nfs/dbraw/zinc/69/51/91/487695191.db2.gz FYWBMOGSXGJZNG-CHWSQXEVSA-N 1 0 241.331 0.805 20 30 BCEDRO C[C@H]1C[NH+](CC(=O)NCCC#N)C[C@@H]1C ZINC000752077302 585241381 /nfs/dbraw/zinc/24/13/81/585241381.db2.gz XKLFNVVCFAFPFN-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO C=C[C@H](O)C(=O)NCCC[N@@H+](C)C(C)C ZINC000666312965 487784866 /nfs/dbraw/zinc/78/48/66/487784866.db2.gz CBCNDDRYKUZIQG-JTQLQIEISA-N 1 0 214.309 0.380 20 30 BCEDRO C=C(C)CC[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000681402182 487791998 /nfs/dbraw/zinc/79/19/98/487791998.db2.gz WIXJEHSQRBFHIY-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000668475879 487801788 /nfs/dbraw/zinc/80/17/88/487801788.db2.gz SSYIOQUGZASMLF-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(CC)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000313495014 487806413 /nfs/dbraw/zinc/80/64/13/487806413.db2.gz VWCQEXZEVQBQIO-LLVKDONJSA-N 1 0 209.293 0.800 20 30 BCEDRO CC[C@@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)OC ZINC000592153236 487807227 /nfs/dbraw/zinc/80/72/27/487807227.db2.gz LHTVKDXSVNRYIU-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO CC[C@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)OC ZINC000592153235 487807823 /nfs/dbraw/zinc/80/78/23/487807823.db2.gz LHTVKDXSVNRYIU-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO CCn1nccc1CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592153341 487807868 /nfs/dbraw/zinc/80/78/68/487807868.db2.gz MANKIMYTOITZDP-ZDUSSCGKSA-N 1 0 248.330 0.796 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000666451891 487812738 /nfs/dbraw/zinc/81/27/38/487812738.db2.gz QTWXPUJORFPDCJ-GVXVVHGQSA-N 1 0 238.331 0.666 20 30 BCEDRO C=CCOCC[NH2+]C[C@@]1(OC)CCOC1 ZINC000385442178 487813482 /nfs/dbraw/zinc/81/34/82/487813482.db2.gz QYFYREOLLAARQO-NSHDSACASA-N 1 0 215.293 0.584 20 30 BCEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC000651664096 487813948 /nfs/dbraw/zinc/81/39/48/487813948.db2.gz DCCFZBYBYIGUKF-WDEREUQCSA-N 1 0 246.376 0.870 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000681606549 487824774 /nfs/dbraw/zinc/82/47/74/487824774.db2.gz QQRMBOOLTXZLCK-MNOVXSKESA-N 1 0 222.292 0.462 20 30 BCEDRO C[C@@H]1CNC(NN=C2CSC[C@@H]2C)=[NH+]1 ZINC000794927716 586055628 /nfs/dbraw/zinc/05/56/28/586055628.db2.gz PREAOIOLXBJSAY-NKWVEPMBSA-N 1 0 212.322 0.663 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)OCC)CC1 ZINC000491045308 526915016 /nfs/dbraw/zinc/91/50/16/526915016.db2.gz KIBHWFLYPZMEQI-UHFFFAOYSA-N 1 0 224.304 0.742 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)C(F)(F)F ZINC000819231441 586940822 /nfs/dbraw/zinc/94/08/22/586940822.db2.gz WKENNJUDBWGNTO-ZETCQYMHSA-N 1 0 211.183 0.149 20 30 BCEDRO C=CCOCC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000676287279 487832895 /nfs/dbraw/zinc/83/28/95/487832895.db2.gz RCCQWGGISFISBD-MNOVXSKESA-N 1 0 242.319 0.024 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000668095387 487836457 /nfs/dbraw/zinc/83/64/57/487836457.db2.gz IEYFOLSOMWMGRN-CABZTGNLSA-N 1 0 226.320 0.522 20 30 BCEDRO CNC(NC[C@@H](CC(C)C)OC)=[NH+]C ZINC000849043440 588448810 /nfs/dbraw/zinc/44/88/10/588448810.db2.gz LBPHVFWPOXGMBA-SECBINFHSA-N 1 0 201.314 0.842 20 30 BCEDRO CCNC(NCCCS(=O)(=O)CC)=[NH+]CC ZINC000849043325 588448876 /nfs/dbraw/zinc/44/88/76/588448876.db2.gz SKUYTYCPUOWCII-UHFFFAOYSA-N 1 0 249.380 0.386 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](COC)C(C)C ZINC000167152447 487846417 /nfs/dbraw/zinc/84/64/17/487846417.db2.gz LAENBPNRQDZJDY-LLVKDONJSA-N 1 0 226.320 0.387 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CCN1CCNC1=O ZINC000886744583 592314216 /nfs/dbraw/zinc/31/42/16/592314216.db2.gz BGIOIKZTFYUPHH-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)CC(C)(C)CO ZINC000930606751 633932385 /nfs/dbraw/zinc/93/23/85/633932385.db2.gz SVIVAFOFQPAALM-SECBINFHSA-N 1 0 200.282 0.211 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000668151694 487852543 /nfs/dbraw/zinc/85/25/43/487852543.db2.gz MLAYSLBNRDRLJP-GFCCVEGCSA-N 1 0 226.320 0.524 20 30 BCEDRO CC1CC(C(=O)NCC#CC[NH+](C)C)C1 ZINC000913519987 640381407 /nfs/dbraw/zinc/38/14/07/640381407.db2.gz XOLQXPFHGWFKHI-UHFFFAOYSA-N 1 0 208.305 0.714 20 30 BCEDRO C=CCC[C@H](C)[NH2+][C@H]1CS(=O)(=O)C[C@H]1OC ZINC000668507617 487863255 /nfs/dbraw/zinc/86/32/55/487863255.db2.gz PNYPMUIOXLWCEU-GARJFASQSA-N 1 0 247.360 0.743 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000676560705 487872887 /nfs/dbraw/zinc/87/28/87/487872887.db2.gz NXZIUHQRDLGZHZ-QJPTWQEYSA-N 1 0 211.305 0.463 20 30 BCEDRO COC(=O)c1cccc(CNC(N)=[NH2+])c1 ZINC000305021875 487881861 /nfs/dbraw/zinc/88/18/61/487881861.db2.gz VOVQQDLRFMGAAU-UHFFFAOYSA-N 1 0 207.233 0.247 20 30 BCEDRO C=CCC[C@@H](O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430430 644420902 /nfs/dbraw/zinc/42/09/02/644420902.db2.gz LEQQHSGHHUFDLA-MNOVXSKESA-N 1 0 212.337 0.983 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+](C)CC1(O)CCOCC1 ZINC000682038230 487887420 /nfs/dbraw/zinc/88/74/20/487887420.db2.gz OUJCQRZKSLFQOL-NSHDSACASA-N 1 0 229.320 0.397 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](OCCOC)C1 ZINC000682037508 487888403 /nfs/dbraw/zinc/88/84/03/487888403.db2.gz FXTGJCOCPKGTNF-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])[C@@H](C)COC ZINC000659547902 487892003 /nfs/dbraw/zinc/89/20/03/487892003.db2.gz FQPKRLWOTKQJAW-HBNTYKKESA-N 1 0 243.351 0.955 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000666914212 487902840 /nfs/dbraw/zinc/90/28/40/487902840.db2.gz AJEFCTYLQJJJET-GXFFZTMASA-N 1 0 238.331 0.524 20 30 BCEDRO C[NH+](C)CCOc1cccc(CC(=O)NO)c1 ZINC000671995841 487924489 /nfs/dbraw/zinc/92/44/89/487924489.db2.gz KWXGGCCOVXJXOX-UHFFFAOYSA-N 1 0 238.287 0.675 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000682220950 487928171 /nfs/dbraw/zinc/92/81/71/487928171.db2.gz QVIVFRNEIQQAEK-RYUDHWBXSA-N 1 0 211.305 0.993 20 30 BCEDRO C=C(C)CS(=O)(=O)N1C[C@H]2C[N@@H+](C)C[C@H]2C1 ZINC000334663213 487938852 /nfs/dbraw/zinc/93/88/52/487938852.db2.gz CTJBVOAATZCRIR-PHIMTYICSA-N 1 0 244.360 0.386 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000667112203 487940271 /nfs/dbraw/zinc/94/02/71/487940271.db2.gz WUPZKVGMWQTNAA-LLVKDONJSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000667111867 487940352 /nfs/dbraw/zinc/94/03/52/487940352.db2.gz NMHGLXXVMSPURF-ZDUSSCGKSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+](C)C1CC1 ZINC000667159112 487949828 /nfs/dbraw/zinc/94/98/28/487949828.db2.gz USJDJMNYYBDWNM-NSHDSACASA-N 1 0 212.293 0.134 20 30 BCEDRO C#CCN(CC1CC1)[C@@H]1CCS(=O)(=O)C1 ZINC000126248754 323003131 /nfs/dbraw/zinc/00/31/31/323003131.db2.gz KIXYZPLDNPNGHA-LLVKDONJSA-N 1 0 227.329 0.519 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](CC)C1 ZINC000246220476 323008375 /nfs/dbraw/zinc/00/83/75/323008375.db2.gz LIHAJKNHTOTHJB-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246366474 323008670 /nfs/dbraw/zinc/00/86/70/323008670.db2.gz LJVJBSWKBWTVMR-NEPJUHHUSA-N 1 0 237.347 0.008 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCOC1 ZINC000247049428 323012031 /nfs/dbraw/zinc/01/20/31/323012031.db2.gz NLYCWQVXPCKBOC-GHMZBOCLSA-N 1 0 226.320 0.645 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](C)[C@H](C)OC ZINC000328076342 323033894 /nfs/dbraw/zinc/03/38/94/323033894.db2.gz FUACYFPUQZUUBF-NEPJUHHUSA-N 1 0 212.337 0.955 20 30 BCEDRO CN(CC[N@H+](C)C1CC1)c1ccnc(C#N)n1 ZINC000565228794 323034571 /nfs/dbraw/zinc/03/45/71/323034571.db2.gz IGISRKUWNZAVOE-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccsc1 ZINC000064615492 323035810 /nfs/dbraw/zinc/03/58/10/323035810.db2.gz JEDOFRMNVUZWBS-UHFFFAOYSA-N 1 0 222.313 0.977 20 30 BCEDRO C=C[C@@H](CO)[NH2+][C@H](C)CCn1cccn1 ZINC000289578570 323036209 /nfs/dbraw/zinc/03/62/09/323036209.db2.gz BJFASKPLENATCB-MNOVXSKESA-N 1 0 209.293 0.798 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(C#N)C[C@H]1C ZINC000448976485 323037327 /nfs/dbraw/zinc/03/73/27/323037327.db2.gz NAYBVYBRXUNUNW-CKYFFXLPSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569808567 323041114 /nfs/dbraw/zinc/04/11/14/323041114.db2.gz WJZQVRRBPHDZMV-AXFHLTTASA-N 1 0 243.351 0.596 20 30 BCEDRO CC#CCCNC(=O)[C@@H]1CCc2cncn2C1 ZINC000569813311 323041352 /nfs/dbraw/zinc/04/13/52/323041352.db2.gz DMXBYBZXCRIVSB-LLVKDONJSA-N 1 0 231.299 0.975 20 30 BCEDRO C=CC[NH+]1CCC(Nc2ncncc2C#N)CC1 ZINC000570126228 323050556 /nfs/dbraw/zinc/05/05/56/323050556.db2.gz HQINDEIMYHRXDK-UHFFFAOYSA-N 1 0 243.314 0.832 20 30 BCEDRO C=CCN1CCC([NH2+]C[C@@H](O)CSC)CC1 ZINC000570156099 323051235 /nfs/dbraw/zinc/05/12/35/323051235.db2.gz XFBYXFVGKSRVQY-GFCCVEGCSA-N 1 0 244.404 0.950 20 30 BCEDRO C=CCN1CC[N@H+](CC=C)[C@H](CCO)C1 ZINC000570269804 323054741 /nfs/dbraw/zinc/05/47/41/323054741.db2.gz DWIABLLAEAAIRM-GFCCVEGCSA-N 1 0 210.321 0.727 20 30 BCEDRO CC[C@H](C#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000570581610 323063818 /nfs/dbraw/zinc/06/38/18/323063818.db2.gz KSOQUNJOSRZROJ-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000570913167 323074059 /nfs/dbraw/zinc/07/40/59/323074059.db2.gz LVANZGBXKCWINT-NQBHXWOUSA-N 1 0 235.331 0.994 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000249090660 323075941 /nfs/dbraw/zinc/07/59/41/323075941.db2.gz DBNSYCYUIHKJRD-QJPTWQEYSA-N 1 0 240.347 0.947 20 30 BCEDRO CC(C)N1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000044823385 323087139 /nfs/dbraw/zinc/08/71/39/323087139.db2.gz KVLRYRXIGCVSCM-SNVBAGLBSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000563138060 323094756 /nfs/dbraw/zinc/09/47/56/323094756.db2.gz KHTRBYUHTQUQJA-HTQZYQBOSA-N 1 0 227.226 0.684 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)Cn1cccn1 ZINC000571057613 323106149 /nfs/dbraw/zinc/10/61/49/323106149.db2.gz YWEAPVGCRWNPIM-QWRGUYRKSA-N 1 0 222.292 0.526 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)Cn1cccn1 ZINC000571057612 323106209 /nfs/dbraw/zinc/10/62/09/323106209.db2.gz YWEAPVGCRWNPIM-MNOVXSKESA-N 1 0 222.292 0.526 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H](O)COCC(F)(F)F ZINC000339760895 323119483 /nfs/dbraw/zinc/11/94/83/323119483.db2.gz WYPJJZVNKYDOBI-SECBINFHSA-N 1 0 239.237 0.881 20 30 BCEDRO COC[C@@](C)(CCO)[NH2+]Cc1ccc(C#N)cn1 ZINC000563350630 323120001 /nfs/dbraw/zinc/12/00/01/323120001.db2.gz PNOLCSAXOWVSOD-CYBMUJFWSA-N 1 0 249.314 0.830 20 30 BCEDRO C[NH+](C)CCn1ccc(C(=O)NC2(C#N)CC2)n1 ZINC000563383449 323122171 /nfs/dbraw/zinc/12/21/71/323122171.db2.gz QEKBPANOVVXFKW-UHFFFAOYSA-N 1 0 247.302 0.231 20 30 BCEDRO Cc1nc(C(=O)NC[C@@H]([NH3+])C2CC2)ccc1C#N ZINC000563543746 323129534 /nfs/dbraw/zinc/12/95/34/323129534.db2.gz QFUDAAWHAUEQRZ-LLVKDONJSA-N 1 0 244.298 0.729 20 30 BCEDRO CC[C@H](CC#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000259924652 323146615 /nfs/dbraw/zinc/14/66/15/323146615.db2.gz MFHFMGUIHGALFG-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000292584488 323150317 /nfs/dbraw/zinc/15/03/17/323150317.db2.gz FZNUAGFFPOCASY-SECBINFHSA-N 1 0 231.246 0.785 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC1CCC1 ZINC000111296993 323158518 /nfs/dbraw/zinc/15/85/18/323158518.db2.gz MEQRGCPDKAXNHZ-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)NCC1CC[NH+](C)CC1 ZINC000101761951 323162606 /nfs/dbraw/zinc/16/26/06/323162606.db2.gz JUYYWNIDHZDXFJ-UHFFFAOYSA-N 1 0 209.293 0.261 20 30 BCEDRO C[NH+](C)C[C@@H]1CCCCN1C(=O)CC#N ZINC000405177346 323173744 /nfs/dbraw/zinc/17/37/44/323173744.db2.gz SHSLEHVJCIZWMB-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)CO)CC1 ZINC000126321158 323174022 /nfs/dbraw/zinc/17/40/22/323174022.db2.gz XEYSFXOYVRCBRI-LLVKDONJSA-N 1 0 238.331 0.171 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000127396748 323174138 /nfs/dbraw/zinc/17/41/38/323174138.db2.gz NRXLVUBKHPJITQ-VWYCJHECSA-N 1 0 224.304 0.139 20 30 BCEDRO C[C@H](C#N)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000535761344 323190674 /nfs/dbraw/zinc/19/06/74/323190674.db2.gz PYJLXMZHINIIFK-MNOVXSKESA-N 1 0 239.319 0.231 20 30 BCEDRO CN(C(=O)CSCC#N)C1CC[NH+](C)CC1 ZINC000042009062 323215882 /nfs/dbraw/zinc/21/58/82/323215882.db2.gz DWGXFVJLBONXGP-UHFFFAOYSA-N 1 0 241.360 0.796 20 30 BCEDRO C=CCCCC[N@H+]1C[C@@H](C)O[C@@H](C(N)=O)C1 ZINC000563935864 323327771 /nfs/dbraw/zinc/32/77/71/323327771.db2.gz IGJXAAWCEFDIQW-GHMZBOCLSA-N 1 0 226.320 0.917 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)Cc2ccoc2)CC1 ZINC000547794946 323369535 /nfs/dbraw/zinc/36/95/35/323369535.db2.gz VSNABTFEJKSCMD-UHFFFAOYSA-N 1 0 247.298 0.926 20 30 BCEDRO CCC#C[C@@H](C)N1CCN(C(C)=O)CC1 ZINC000677047109 487957887 /nfs/dbraw/zinc/95/78/87/487957887.db2.gz SIGJSOBCZPCGTB-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000571993295 323518791 /nfs/dbraw/zinc/51/87/91/323518791.db2.gz DAWKXTVGUXUUDI-MNOVXSKESA-N 1 0 242.319 0.292 20 30 BCEDRO COC[C@@H](C)OC[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000571993294 323519015 /nfs/dbraw/zinc/51/90/15/323519015.db2.gz DAWKXTVGUXUUDI-GHMZBOCLSA-N 1 0 242.319 0.292 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000677048494 487959169 /nfs/dbraw/zinc/95/91/69/487959169.db2.gz YXXGEIQTWCPJFH-SNVBAGLBSA-N 1 0 227.308 0.010 20 30 BCEDRO C#CCC[NH2+][C@H](C(N)=O)c1ccc(F)cc1 ZINC000264999391 324113180 /nfs/dbraw/zinc/11/31/80/324113180.db2.gz ZFGGMONREQWTRU-NSHDSACASA-N 1 0 220.247 0.965 20 30 BCEDRO N#CC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000195317085 324201836 /nfs/dbraw/zinc/20/18/36/324201836.db2.gz ALMLTAVXBZSKTO-UHFFFAOYSA-N 1 0 235.287 0.371 20 30 BCEDRO C=CCNC(=O)CN1CC[NH2+]C[C@@H]1C(C)C ZINC000530230074 324550101 /nfs/dbraw/zinc/55/01/01/324550101.db2.gz OLSAPVKZDZTUBR-LLVKDONJSA-N 1 0 225.336 0.218 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)NC[C@H](C)C#N ZINC000542878252 325060029 /nfs/dbraw/zinc/06/00/29/325060029.db2.gz VNPVKQJGNLYLEP-NXEZZACHSA-N 1 0 226.324 0.785 20 30 BCEDRO C=CCC[NH+]1CCN(CC(=O)NCC=C)CC1 ZINC000132416995 325215134 /nfs/dbraw/zinc/21/51/34/325215134.db2.gz JQPFMUWIMLHSEH-UHFFFAOYSA-N 1 0 237.347 0.482 20 30 BCEDRO C#CCNC(=O)[C@@H]([NH2+]C1CCOCC1)C(C)C ZINC000076323568 325340858 /nfs/dbraw/zinc/34/08/58/325340858.db2.gz WQYISSXYRDHCPS-LBPRGKRZSA-N 1 0 238.331 0.529 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000554965356 325741327 /nfs/dbraw/zinc/74/13/27/325741327.db2.gz JKEGVYHTRXDRAC-AAEUAGOBSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(C)CS(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000564701249 325802897 /nfs/dbraw/zinc/80/28/97/325802897.db2.gz PDDPFDUJGCJBBA-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=C(C)CS(=O)(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000564701248 325803701 /nfs/dbraw/zinc/80/37/01/325803701.db2.gz PDDPFDUJGCJBBA-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCCCCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000565161968 325864774 /nfs/dbraw/zinc/86/47/74/325864774.db2.gz HHETYXCBALZDSA-GFCCVEGCSA-N 1 0 226.320 0.967 20 30 BCEDRO C[NH+](C)CCn1ccc(C(=O)NCCCC#N)n1 ZINC000565193522 325872716 /nfs/dbraw/zinc/87/27/16/325872716.db2.gz DUKYAKAZTMBYHH-UHFFFAOYSA-N 1 0 249.318 0.478 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)Cn2ccnc2)CC1 ZINC000565629472 325935791 /nfs/dbraw/zinc/93/57/91/325935791.db2.gz ILUFOGIEOPXVKW-UHFFFAOYSA-N 1 0 248.330 0.650 20 30 BCEDRO CCOC(=O)c1cnn(CCC[NH2+]C)c1C#N ZINC000566182305 326007873 /nfs/dbraw/zinc/00/78/73/326007873.db2.gz DXXGMBOTUQOASI-UHFFFAOYSA-N 1 0 236.275 0.541 20 30 BCEDRO Cc1ccccc1OC[C@@H](O)C[NH2+]CC#CCO ZINC000566234059 326020271 /nfs/dbraw/zinc/02/02/71/326020271.db2.gz OVUVHPXVJPCNKE-ZDUSSCGKSA-N 1 0 249.310 0.320 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)N1CCO[C@@H]2C[NH2+]C[C@@H]21 ZINC000566405776 326040079 /nfs/dbraw/zinc/04/00/79/326040079.db2.gz GVEQVORSIBKTLF-GRYCIOLGSA-N 1 0 238.331 0.788 20 30 BCEDRO C[C@]1(C(N)=O)CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000566416926 326042722 /nfs/dbraw/zinc/04/27/22/326042722.db2.gz QJDNRLMSDFSKAD-ZDUSSCGKSA-N 1 0 244.298 0.651 20 30 BCEDRO COCC[N@H+](C)CCCNc1ccnc(C#N)n1 ZINC000566478336 326054510 /nfs/dbraw/zinc/05/45/10/326054510.db2.gz OCHNFFWQMLSTFF-UHFFFAOYSA-N 1 0 249.318 0.150 20 30 BCEDRO Cc1nc(C(=O)NC[C@H]([NH3+])C(C)C)ccc1C#N ZINC000566568499 326065403 /nfs/dbraw/zinc/06/54/03/326065403.db2.gz VEPPVYPHMYPORY-NSHDSACASA-N 1 0 246.314 0.975 20 30 BCEDRO C[NH+](C)CC(=O)NCc1ccc(CC#N)cc1 ZINC000566621478 326068755 /nfs/dbraw/zinc/06/87/55/326068755.db2.gz KAQCWDYZHHBGMF-UHFFFAOYSA-N 1 0 231.299 0.930 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCN2CCCC2=O)o1 ZINC000405382292 326112686 /nfs/dbraw/zinc/11/26/86/326112686.db2.gz KJGYQCZFPMLYRA-UHFFFAOYSA-N 1 0 233.271 0.863 20 30 BCEDRO CC[C@H](C)C(=O)N[C@@](C)(C#N)CN(C)C ZINC000567324342 326160843 /nfs/dbraw/zinc/16/08/43/326160843.db2.gz LKGHHLPNVBTMJA-ONGXEEELSA-N 1 0 211.309 0.993 20 30 BCEDRO C=CCN(CCC#N)C(=O)Cc1cncn1C ZINC000567339521 326166335 /nfs/dbraw/zinc/16/63/35/326166335.db2.gz VQRHHMCLNVTKGM-UHFFFAOYSA-N 1 0 232.287 0.891 20 30 BCEDRO C#CC[N@@H+](CCNS(C)(=O)=O)C1CCCC1 ZINC000155829398 326212613 /nfs/dbraw/zinc/21/26/13/326212613.db2.gz ZZDBPEUZLNKDFG-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO C=C(C)CNC(=O)N1C[C@H]2OCCN(C)[C@@H]2C1 ZINC000156274300 326225629 /nfs/dbraw/zinc/22/56/29/326225629.db2.gz ZVHAGCVWWVONLL-GHMZBOCLSA-N 1 0 239.319 0.287 20 30 BCEDRO C=C(C)CNC(=O)N1C[C@@H]2OCCN(C)[C@H]2C1 ZINC000156274680 326225793 /nfs/dbraw/zinc/22/57/93/326225793.db2.gz ZVHAGCVWWVONLL-QWRGUYRKSA-N 1 0 239.319 0.287 20 30 BCEDRO C[N@H+](CCCO)Cc1cnc2c(C#N)cnn2c1 ZINC000567899681 326279771 /nfs/dbraw/zinc/27/97/71/326279771.db2.gz PAXAGKUIZPPYAP-UHFFFAOYSA-N 1 0 245.286 0.415 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000568383576 326352021 /nfs/dbraw/zinc/35/20/21/326352021.db2.gz UWTODTNEPJESAG-HBNTYKKESA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)NCCCC#N)C1 ZINC000568764486 326376075 /nfs/dbraw/zinc/37/60/75/326376075.db2.gz YAXLKFGOPUJDHP-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCNC(=O)c1cnn([C@H]2CCC[NH2+]C2)c1 ZINC000568979452 326384449 /nfs/dbraw/zinc/38/44/49/326384449.db2.gz UONVKEVLDJSTPJ-NSHDSACASA-N 1 0 234.303 0.723 20 30 BCEDRO C=CCNC(=O)c1cnn([C@@H]2CCC[NH2+]C2)c1 ZINC000568979445 326384456 /nfs/dbraw/zinc/38/44/56/326384456.db2.gz UONVKEVLDJSTPJ-LLVKDONJSA-N 1 0 234.303 0.723 20 30 BCEDRO C=CCCn1cc(C(=O)N(C)[C@H]2CC[NH2+]C2)nn1 ZINC000573235859 326437082 /nfs/dbraw/zinc/43/70/82/326437082.db2.gz VMPPCLKPXOFPDG-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@]2(CC)CCOC2)C1=O ZINC000685004858 487990187 /nfs/dbraw/zinc/99/01/87/487990187.db2.gz OSCIAWYCJCHHGK-YPMHNXCESA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000309634262 488004343 /nfs/dbraw/zinc/00/43/43/488004343.db2.gz LTSHMRAGBRLKEO-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000669119846 488007529 /nfs/dbraw/zinc/00/75/29/488007529.db2.gz JJDUNWOULOUUSG-DCAQKATOSA-N 1 0 226.320 0.332 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cc1cc[nH]n1 ZINC000294097918 488020080 /nfs/dbraw/zinc/02/00/80/488020080.db2.gz YAPSUAOOMBNFEQ-UHFFFAOYSA-N 1 0 234.303 0.024 20 30 BCEDRO C=CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)C1CC1 ZINC000309659158 488026304 /nfs/dbraw/zinc/02/63/04/488026304.db2.gz XDBKHLXBJQDDKZ-URLYPYJESA-N 1 0 206.289 0.629 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000669156573 488033309 /nfs/dbraw/zinc/03/33/09/488033309.db2.gz ZYWFSVJGUHGVTI-ZJUUUORDSA-N 1 0 228.336 0.626 20 30 BCEDRO C#CCN(C(=O)NC[C@@H]([NH3+])C(C)C)C1CC1 ZINC000491526389 488034695 /nfs/dbraw/zinc/03/46/95/488034695.db2.gz ZBEHBWYDXDFLNR-LLVKDONJSA-N 1 0 223.320 0.777 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H](C)C[NH2+]C)C(C)C ZINC000491640979 488035816 /nfs/dbraw/zinc/03/58/16/488035816.db2.gz ZAJKGERJSVMQPE-MNOVXSKESA-N 1 0 225.336 0.799 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000491683533 488037626 /nfs/dbraw/zinc/03/76/26/488037626.db2.gz ZNGGCYACPAJRNZ-QWRGUYRKSA-N 1 0 223.320 0.840 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000669177974 488043177 /nfs/dbraw/zinc/04/31/77/488043177.db2.gz PUEKONMCAINKIF-ZYHUDNBSSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CC[C@@H](C)NC(=O)COC1(C)C[NH2+]C1 ZINC000165848870 488047238 /nfs/dbraw/zinc/04/72/38/488047238.db2.gz WFLPJVNXGTVTBD-SECBINFHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=C(C)[C@H](CO)N1CCC[C@@H]([NH+](C)C)C1 ZINC000677477849 488047293 /nfs/dbraw/zinc/04/72/93/488047293.db2.gz BBBXDNNUICEKCQ-NEPJUHHUSA-N 1 0 212.337 0.949 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000667563080 488047037 /nfs/dbraw/zinc/04/70/37/488047037.db2.gz UMQYYRUUUQJUAB-DGCLKSJQSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000667608291 488058301 /nfs/dbraw/zinc/05/83/01/488058301.db2.gz BSICWPRMBJCSNS-NEPJUHHUSA-N 1 0 238.331 0.620 20 30 BCEDRO Cc1nc(C(=O)N(C)[C@@H]2CC[NH2+]C2)ccc1C#N ZINC000515664560 488066917 /nfs/dbraw/zinc/06/69/17/488066917.db2.gz NWLVGFFDQHCFEX-LLVKDONJSA-N 1 0 244.298 0.696 20 30 BCEDRO C=CCCC(=O)N1CC[NH+](C(C)(C)CO)CC1 ZINC000677647336 488085278 /nfs/dbraw/zinc/08/52/78/488085278.db2.gz UXSWICXEPCWYEY-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO COCC#CC[N@H+](C)C1(CO)CCOCC1 ZINC000683041000 488093589 /nfs/dbraw/zinc/09/35/89/488093589.db2.gz LPIUFXLSTZTRRX-UHFFFAOYSA-N 1 0 227.304 0.110 20 30 BCEDRO C=C[C@H](O)C(=O)NCC1CC[NH+](CCC)CC1 ZINC000667717826 488100513 /nfs/dbraw/zinc/10/05/13/488100513.db2.gz GUJSYBWCKBRHGA-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC2(CCOC2)CC1 ZINC000677727248 488103668 /nfs/dbraw/zinc/10/36/68/488103668.db2.gz ZYMFKQJWJXAYQJ-UHFFFAOYSA-N 1 0 238.331 0.791 20 30 BCEDRO C=C[C@H](O)C(=O)NCCCC[NH+](CC)CC ZINC000668680045 488108194 /nfs/dbraw/zinc/10/81/94/488108194.db2.gz JAJMLXCFJFDDPG-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000669345031 487537699 /nfs/dbraw/zinc/53/76/99/487537699.db2.gz DLPYNNFRXUXRFW-NWDGAFQWSA-N 1 0 240.347 0.724 20 30 BCEDRO CCN(CC#CCOC)CC(=O)N(C)C ZINC000677817386 488131129 /nfs/dbraw/zinc/13/11/29/488131129.db2.gz OZDOXPAFIZFXQP-UHFFFAOYSA-N 1 0 212.293 0.046 20 30 BCEDRO COCC#CCN(CC(N)=O)CC(C)C ZINC000677817401 488131475 /nfs/dbraw/zinc/13/14/75/488131475.db2.gz PAXOQYZYWJZHDI-UHFFFAOYSA-N 1 0 212.293 0.080 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000668700588 488133710 /nfs/dbraw/zinc/13/37/10/488133710.db2.gz DTOIVLMRZJCRAH-GWCFXTLKSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000668700590 488133812 /nfs/dbraw/zinc/13/38/12/488133812.db2.gz DTOIVLMRZJCRAH-MFKMUULPSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCCNC(=O)c1ccnc(C[NH3+])c1 ZINC000168788554 487541371 /nfs/dbraw/zinc/54/13/71/487541371.db2.gz ALACOGZLYIYPKS-UHFFFAOYSA-N 1 0 205.261 0.846 20 30 BCEDRO C=CCOCCNC(=O)C[C@H]1CSCC[NH2+]1 ZINC000304215354 487481543 /nfs/dbraw/zinc/48/15/43/487481543.db2.gz GCZWJTJKNRQNCQ-JTQLQIEISA-N 1 0 244.360 0.400 20 30 BCEDRO COCC#CC[N@@H+]1CCOCC2(CC2)C1 ZINC000679874832 487478866 /nfs/dbraw/zinc/47/88/66/487478866.db2.gz VJZSLQIVWQVOQM-UHFFFAOYSA-N 1 0 209.289 0.749 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)C[C@@H](O)C2CC2)C1=O ZINC000685002121 487489190 /nfs/dbraw/zinc/48/91/90/487489190.db2.gz VYEZGJPLFONHHT-NWDGAFQWSA-N 1 0 238.331 0.476 20 30 BCEDRO COCC#CC[NH+]1CCC(COC)CC1 ZINC000677817044 487505931 /nfs/dbraw/zinc/50/59/31/487505931.db2.gz FZNDNRPCBWKDPR-UHFFFAOYSA-N 1 0 211.305 0.995 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000677819676 487515966 /nfs/dbraw/zinc/51/59/66/487515966.db2.gz KICNLNGPXPFWDF-VXGBXAGGSA-N 1 0 211.305 0.872 20 30 BCEDRO COCC#CC[N@H+]1CC[C@H](COCCOC)C1 ZINC000677820772 487520668 /nfs/dbraw/zinc/52/06/68/487520668.db2.gz WDUBVNVFGAZUFA-ZDUSSCGKSA-N 1 0 241.331 0.621 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H](C)C(C)(C)n1cncn1 ZINC000685654187 487570820 /nfs/dbraw/zinc/57/08/20/487570820.db2.gz GHUDFAIFYQRQQZ-MNOVXSKESA-N 1 0 238.335 0.928 20 30 BCEDRO C=C[C@H](C)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000157008629 487888579 /nfs/dbraw/zinc/88/85/79/487888579.db2.gz MGTRHYSFCXBQQE-VIFPVBQESA-N 1 0 249.318 0.507 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000655161013 488005972 /nfs/dbraw/zinc/00/59/72/488005972.db2.gz QVYLUTSLDIZYMR-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO COCC#CC[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000677820064 488136426 /nfs/dbraw/zinc/13/64/26/488136426.db2.gz WKSWFOKEWGKIKI-NWDGAFQWSA-N 1 0 211.305 0.729 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CC[NH2+][C@H]1C ZINC000379835539 488153279 /nfs/dbraw/zinc/15/32/79/488153279.db2.gz ZRLLDWOPDZJETM-VHSXEESVSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCn1cc(C(=O)NC(C)(C)CC[NH3+])nn1 ZINC000648179269 488165433 /nfs/dbraw/zinc/16/54/33/488165433.db2.gz BBJINNWEAYCRQO-UHFFFAOYSA-N 1 0 237.307 0.321 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@@H](C)[NH3+] ZINC000669533677 488183750 /nfs/dbraw/zinc/18/37/50/488183750.db2.gz RKLPEVLICPUQSC-SECBINFHSA-N 1 0 215.297 0.226 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@H](C)[NH3+] ZINC000669533678 488184016 /nfs/dbraw/zinc/18/40/16/488184016.db2.gz RKLPEVLICPUQSC-VIFPVBQESA-N 1 0 215.297 0.226 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@@H](C)[NH3+] ZINC000669545470 488200187 /nfs/dbraw/zinc/20/01/87/488200187.db2.gz TYZPPTGDGXKIFZ-SECBINFHSA-N 1 0 215.297 0.226 20 30 BCEDRO C=CCOCCNC(=O)CC[C@@H](C)[NH3+] ZINC000308515323 488205756 /nfs/dbraw/zinc/20/57/56/488205756.db2.gz DZMNWYLSBIXQHE-SECBINFHSA-N 1 0 200.282 0.433 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000668166446 488213220 /nfs/dbraw/zinc/21/32/20/488213220.db2.gz LHXRGTVFRWBKOO-UWVGGRQHSA-N 1 0 209.293 0.566 20 30 BCEDRO C=CCOCCNC(=O)NCC[NH2+]CC ZINC000669555335 488216614 /nfs/dbraw/zinc/21/66/14/488216614.db2.gz QRJKALNIPVLQEA-UHFFFAOYSA-N 1 0 215.297 0.098 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000684008144 488254839 /nfs/dbraw/zinc/25/48/39/488254839.db2.gz MEXNPJWFLZHKLQ-MFKMUULPSA-N 1 0 249.314 0.462 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000684005943 488254894 /nfs/dbraw/zinc/25/48/94/488254894.db2.gz XOQANUHNZNEKRQ-CMPLNLGQSA-N 1 0 224.304 0.135 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000684200373 488275371 /nfs/dbraw/zinc/27/53/71/488275371.db2.gz JNGVWYQSYGJJJQ-LLVKDONJSA-N 1 0 236.319 0.717 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1CCO[C@]2(CCO[C@H]2C)C1 ZINC000684211313 488277345 /nfs/dbraw/zinc/27/73/45/488277345.db2.gz MGKOWGRMVJAJPV-RWMBFGLXSA-N 1 0 241.331 0.803 20 30 BCEDRO C=C(C)[C@H](CO)N(C)C[C@@H](O)C(F)(F)F ZINC000678725595 488279065 /nfs/dbraw/zinc/27/90/65/488279065.db2.gz KUVFONTVFKWUIN-JGVFFNPUSA-N 1 0 227.226 0.778 20 30 BCEDRO COCC#CCN(C)C[C@@H](O)C(F)(F)F ZINC000678722571 488279188 /nfs/dbraw/zinc/27/91/88/488279188.db2.gz CTFKDMKKBYPYPF-MRVPVSSYSA-N 1 0 225.210 0.491 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000684628580 488335924 /nfs/dbraw/zinc/33/59/24/488335924.db2.gz NMCASZMEDCZVKC-GXSJLCMTSA-N 1 0 212.293 0.121 20 30 BCEDRO C=CCC[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000678888991 488294071 /nfs/dbraw/zinc/29/40/71/488294071.db2.gz MJVZCPMFUNXVDM-UHFFFAOYSA-N 1 0 235.335 0.807 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1[nH]nc2ccccc21 ZINC000679027468 488303485 /nfs/dbraw/zinc/30/34/85/488303485.db2.gz BJUUJLQPMFNAIS-UHFFFAOYSA-N 1 0 244.298 0.955 20 30 BCEDRO CNC(=O)[C@]1(C)CC[N@H+](CC#CCOC)C1 ZINC000684668102 488337474 /nfs/dbraw/zinc/33/74/74/488337474.db2.gz BABCSEWYQUVYFV-GFCCVEGCSA-N 1 0 224.304 0.094 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](CC)[NH+](C)C ZINC000679586857 488359765 /nfs/dbraw/zinc/35/97/65/488359765.db2.gz WETCAMCXKQINRI-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCN(C)C(C)(C)C1 ZINC000491786715 490117955 /nfs/dbraw/zinc/11/79/55/490117955.db2.gz UVFZPHQMEALFCO-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO OC[C@@H]1CCN(CC#Cc2ccccc2)C[C@H]1O ZINC000676560763 490124105 /nfs/dbraw/zinc/12/41/05/490124105.db2.gz OMRRIAGTHLEYRK-LSDHHAIUSA-N 1 0 245.322 0.713 20 30 BCEDRO C=CCCn1cc(CN(C)[C@@H](C)C[NH3+])nn1 ZINC000655938410 490264566 /nfs/dbraw/zinc/26/45/66/490264566.db2.gz VLHPCPXPZXKNPO-JTQLQIEISA-N 1 0 223.324 0.633 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)NCC(C)(C)C#N ZINC000335491825 490305065 /nfs/dbraw/zinc/30/50/65/490305065.db2.gz NVYUAWOIAZGCAY-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCn1cc(C(=O)N2CC[C@@H](C)[C@@H]([NH3+])C2)nn1 ZINC000658970839 490345539 /nfs/dbraw/zinc/34/55/39/490345539.db2.gz UJWLAOVNNMROIW-ZJUUUORDSA-N 1 0 249.318 0.273 20 30 BCEDRO CC#CC[NH+]1CCC(OCCCO)CC1 ZINC000304999483 490403180 /nfs/dbraw/zinc/40/31/80/490403180.db2.gz GTSOAYJIBSFHNU-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CCC(NC(C)=O)CC1 ZINC000305105037 490433909 /nfs/dbraw/zinc/43/39/09/490433909.db2.gz ZCXAEQPWZRFGAD-CYBMUJFWSA-N 1 0 240.347 0.914 20 30 BCEDRO CC[N@@H+]1CCCN(CC#CCOC)CC1 ZINC000677817877 490663774 /nfs/dbraw/zinc/66/37/74/490663774.db2.gz BYGBLALSKAYOLO-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO C#CCN(Cc1ccc(F)cc1)C(=O)NCC[NH3+] ZINC000491622907 491079374 /nfs/dbraw/zinc/07/93/74/491079374.db2.gz HGPYTQRFJYYGRA-UHFFFAOYSA-N 1 0 249.289 0.929 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000669184044 491092737 /nfs/dbraw/zinc/09/27/37/491092737.db2.gz WEILBSMXASFECH-UMNHJUIQSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CCCn1cc(CN2CC[NH2+][C@@H](C)C2)nn1 ZINC000655937920 491098830 /nfs/dbraw/zinc/09/88/30/491098830.db2.gz IJZPIIDOUUXIQZ-NSHDSACASA-N 1 0 235.335 0.648 20 30 BCEDRO C=CCOCCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000659518981 491114856 /nfs/dbraw/zinc/11/48/56/491114856.db2.gz MHZMTIMNDJLPOT-NSHDSACASA-N 1 0 241.335 0.616 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(C)nn1 ZINC000858334745 582459334 /nfs/dbraw/zinc/45/93/34/582459334.db2.gz RINZVBYCISXLDX-GFCCVEGCSA-N 1 0 219.288 0.913 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C(=O)OC)C(C)C ZINC000890633140 582489320 /nfs/dbraw/zinc/48/93/20/582489320.db2.gz DYPPEXZOLDKDQE-JTQLQIEISA-N 1 0 242.319 0.418 20 30 BCEDRO COC(=O)N1CCC(C[NH2+]CCC#N)CC1 ZINC000497000584 533939678 /nfs/dbraw/zinc/93/96/78/533939678.db2.gz UNTUIFFMULZQBN-UHFFFAOYSA-N 1 0 225.292 0.968 20 30 BCEDRO CC[N@H+](C[C@@H](C)O)[C@@H](C)C(=O)N(C)CCC#N ZINC000352222817 535765448 /nfs/dbraw/zinc/76/54/48/535765448.db2.gz SIGDURFGYNNDLO-MNOVXSKESA-N 1 0 241.335 0.450 20 30 BCEDRO CCNC(NCc1cnn(CC)c1)=[NH+]CC ZINC000284904463 535786997 /nfs/dbraw/zinc/78/69/97/535786997.db2.gz APLLMYKPFACQJX-UHFFFAOYSA-N 1 0 223.324 0.978 20 30 BCEDRO C#CCNC(=O)NCC[NH2+]C(CC)CC ZINC000891571780 582697936 /nfs/dbraw/zinc/69/79/36/582697936.db2.gz FBXISHCLTFKMKM-UHFFFAOYSA-N 1 0 211.309 0.697 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891765461 582718130 /nfs/dbraw/zinc/71/81/30/582718130.db2.gz RCNDEAUZSKZMQG-NXEZZACHSA-N 1 0 227.308 0.320 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891811765 582725608 /nfs/dbraw/zinc/72/56/08/582725608.db2.gz JLBNSIIWICIFRF-UWVGGRQHSA-N 1 0 209.293 0.531 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC1=[NH+]C[C@@H](C)N1 ZINC000262479843 534315884 /nfs/dbraw/zinc/31/58/84/534315884.db2.gz CUYLGQRBVJNMMZ-VWYCJHECSA-N 1 0 223.320 0.905 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC1=[NH+]CCCN1 ZINC000262787969 534324251 /nfs/dbraw/zinc/32/42/51/534324251.db2.gz JXQCTZSJCYSJMA-QWRGUYRKSA-N 1 0 223.320 0.907 20 30 BCEDRO CNC(=[NH2+])NCc1cccc(N(C)C)c1 ZINC000264059864 536304969 /nfs/dbraw/zinc/30/49/69/536304969.db2.gz CKYLPDDFBHLKPS-UHFFFAOYSA-N 1 0 206.293 0.787 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C[N@@H+](CC)C1CC1 ZINC000342170678 534387215 /nfs/dbraw/zinc/38/72/15/534387215.db2.gz YPRUNEPBBVFBFF-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(CC)C[N@@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000358507066 534402201 /nfs/dbraw/zinc/40/22/01/534402201.db2.gz KUAZJXHPLSIJAP-ZJUUUORDSA-N 1 0 212.293 0.527 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@]1(CCOC)CC[NH2+]C1 ZINC000368454864 534447180 /nfs/dbraw/zinc/44/71/80/534447180.db2.gz WIVCXXYRFCLBEZ-LLVKDONJSA-N 1 0 246.738 0.871 20 30 BCEDRO C=C[C@@H](CO)NC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000356856870 534520607 /nfs/dbraw/zinc/52/06/07/534520607.db2.gz QLLCRBFXEOHQHU-VHSXEESVSA-N 1 0 244.360 0.087 20 30 BCEDRO C=C[C@@H](CO)NC(=O)N[C@H]1CCC[N@@H+](CC)C1 ZINC000358536656 534527156 /nfs/dbraw/zinc/52/71/56/534527156.db2.gz NOQQFBUDXRFUSL-QWRGUYRKSA-N 1 0 241.335 0.317 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000333600514 534600641 /nfs/dbraw/zinc/60/06/41/534600641.db2.gz BWVBQYIDHNMXSW-DBIOUOCHSA-N 1 0 239.319 0.319 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH2+]C[C@@H]1C ZINC000333786343 534601016 /nfs/dbraw/zinc/60/10/16/534601016.db2.gz LSEHJFJNKRBAEK-AXFHLTTASA-N 1 0 239.319 0.333 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCC1([NH3+])CCC1 ZINC000333814062 534601116 /nfs/dbraw/zinc/60/11/16/534601116.db2.gz QBALKFFVOOYEOL-ZJUUUORDSA-N 1 0 239.319 0.511 20 30 BCEDRO C=CCCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000358073637 534615665 /nfs/dbraw/zinc/61/56/65/534615665.db2.gz QMJORGOZTHTVFR-LLVKDONJSA-N 1 0 212.293 0.135 20 30 BCEDRO C=CCCCC(=O)N1CCO[C@H]2C[NH2+]C[C@H]21 ZINC000374608078 534650925 /nfs/dbraw/zinc/65/09/25/534650925.db2.gz ZLRYPIGFELZGMG-MNOVXSKESA-N 1 0 224.304 0.542 20 30 BCEDRO C=CCCCC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000359130750 534661122 /nfs/dbraw/zinc/66/11/22/534661122.db2.gz YMJFRAYNWUIYAJ-LBPRGKRZSA-N 1 0 239.363 0.705 20 30 BCEDRO CC(C)(C)[N@@H+]1CC[C@](F)(C(=O)NCC#N)C1 ZINC000368150342 534670438 /nfs/dbraw/zinc/67/04/38/534670438.db2.gz FKROSDDRFHZOOT-LLVKDONJSA-N 1 0 227.283 0.839 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358953718 534678840 /nfs/dbraw/zinc/67/88/40/534678840.db2.gz ZKYLIZCJPBXCGE-HBNTYKKESA-N 1 0 241.335 0.315 20 30 BCEDRO C=CCCCN(C)C(=O)[C@H]([NH3+])COC ZINC000220245927 534704862 /nfs/dbraw/zinc/70/48/62/534704862.db2.gz MNDCTDJTXQIICA-SECBINFHSA-N 1 0 200.282 0.385 20 30 BCEDRO C=CCCC[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000366331681 534718936 /nfs/dbraw/zinc/71/89/36/534718936.db2.gz OURLRZPULKWLEK-UWVGGRQHSA-N 1 0 222.288 0.547 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CCC([NH3+])CC2)C1 ZINC000424462963 534752127 /nfs/dbraw/zinc/75/21/27/534752127.db2.gz FUFUEYGMXCBQML-GXSJLCMTSA-N 1 0 236.319 0.811 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000338362789 534767730 /nfs/dbraw/zinc/76/77/30/534767730.db2.gz NHUUSIJJEHLGIA-NSHDSACASA-N 1 0 246.376 0.776 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@H](C)CC[NH3+] ZINC000336733775 534782775 /nfs/dbraw/zinc/78/27/75/534782775.db2.gz GVDJVHSYJBFRTK-VHSXEESVSA-N 1 0 214.309 0.821 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000178941218 534784768 /nfs/dbraw/zinc/78/47/68/534784768.db2.gz CNTDLOMKTYSUBT-JTQLQIEISA-N 1 0 232.349 0.434 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000373884895 534785115 /nfs/dbraw/zinc/78/51/15/534785115.db2.gz FNZOTPWDBTUJKR-GHMZBOCLSA-N 1 0 244.360 0.576 20 30 BCEDRO C=CCN(CC=C)C(=O)COC1C[NH2+]C1 ZINC000261547363 534822325 /nfs/dbraw/zinc/82/23/25/534822325.db2.gz MFRJQRMPPIJDIF-UHFFFAOYSA-N 1 0 210.277 0.175 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@](C)(OC)C1CC1 ZINC000290925884 534843676 /nfs/dbraw/zinc/84/36/76/534843676.db2.gz IIPISIQFZIKLRL-LLVKDONJSA-N 1 0 211.309 0.892 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](O)c1ccc(F)cc1 ZINC000264067058 534843358 /nfs/dbraw/zinc/84/33/58/534843358.db2.gz BPHYEWSNTSIQLQ-NSHDSACASA-N 1 0 237.278 0.949 20 30 BCEDRO C=CCNC(=[NH2+])NCC1CCN(C(C)=O)CC1 ZINC000262402618 534844401 /nfs/dbraw/zinc/84/44/01/534844401.db2.gz PRWQCSKFUKTIFE-UHFFFAOYSA-N 1 0 238.335 0.335 20 30 BCEDRO C=CCNC(=[NH2+])NCCN1CCSCC1 ZINC000262328347 534844567 /nfs/dbraw/zinc/84/45/67/534844567.db2.gz UTCDXCLQSKKTBP-UHFFFAOYSA-N 1 0 228.365 0.126 20 30 BCEDRO C=CCNC(=[NH2+])NCC1([S@](C)=O)CCC1 ZINC000262768590 534844655 /nfs/dbraw/zinc/84/46/55/534844655.db2.gz GTTVGFXFLNMVCY-HNNXBMFYSA-N 1 0 229.349 0.378 20 30 BCEDRO C=CCN1CC[NH2+]C[C@@H]1c1nccn1C ZINC000261539988 534849327 /nfs/dbraw/zinc/84/93/27/534849327.db2.gz DKWKUWGCTAIFNM-SNVBAGLBSA-N 1 0 206.293 0.552 20 30 BCEDRO C=CC[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000335676080 534847848 /nfs/dbraw/zinc/84/78/48/534847848.db2.gz IFXZNMYRCDTWIM-GFCCVEGCSA-N 1 0 237.303 0.483 20 30 BCEDRO C=CC[NH+]1CCC([C@H](O)C(=O)NC2CC2)CC1 ZINC000332181802 534848154 /nfs/dbraw/zinc/84/81/54/534848154.db2.gz WUTSIYAYOPFRSJ-LBPRGKRZSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000355330526 534859706 /nfs/dbraw/zinc/85/97/06/534859706.db2.gz XVCNBAMWAXSNTH-WCQGTBRESA-N 1 0 240.347 0.938 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CCO)C(C)(C)C ZINC000181479482 534859713 /nfs/dbraw/zinc/85/97/13/534859713.db2.gz JZNGHGJBQCMBSU-SNVBAGLBSA-N 1 0 228.336 0.675 20 30 BCEDRO C=CCNC(=O)CN1[C@H](C)C[N@H+](CC)C[C@@H]1C ZINC000347710906 534857196 /nfs/dbraw/zinc/85/71/96/534857196.db2.gz XWDXSJBZPBWKKZ-TXEJJXNPSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](COCC)C(C)C ZINC000286148847 534859893 /nfs/dbraw/zinc/85/98/93/534859893.db2.gz NNIBZHHULKAPHP-LLVKDONJSA-N 1 0 228.336 0.939 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@]1(CCC)CCOC1 ZINC000285402428 534859068 /nfs/dbraw/zinc/85/90/68/534859068.db2.gz CPHUFZUQHQTFAC-LBPRGKRZSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000336592769 534860252 /nfs/dbraw/zinc/86/02/52/534860252.db2.gz SKPIKIRJLDGPPV-MNOVXSKESA-N 1 0 223.320 0.908 20 30 BCEDRO C=CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000262212143 534861068 /nfs/dbraw/zinc/86/10/68/534861068.db2.gz LSWQVTJEHQHSIA-HBNTYKKESA-N 1 0 223.320 0.941 20 30 BCEDRO C=CCOCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000356405725 534866660 /nfs/dbraw/zinc/86/66/60/534866660.db2.gz LLIPPDCBBKBTBM-NEPJUHHUSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CCOCC(=O)N(C)[C@H]1C[NH+]2CCC1CC2 ZINC000347914148 534867163 /nfs/dbraw/zinc/86/71/63/534867163.db2.gz HCNYBMQHUASGRO-LBPRGKRZSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCOCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000356887697 534868552 /nfs/dbraw/zinc/86/85/52/534868552.db2.gz UIQALRWOWJXZLG-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CCOCC(=O)N1CC[NH+](CC(C)C)CC1 ZINC000354324505 534868653 /nfs/dbraw/zinc/86/86/53/534868653.db2.gz OSWVDUADZLKGFG-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO C=CCOCC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000356887694 534868661 /nfs/dbraw/zinc/86/86/61/534868661.db2.gz UIQALRWOWJXZLG-MNOVXSKESA-N 1 0 226.320 0.740 20 30 BCEDRO C=CCOCCC[N@@H+](C)[C@H](COC)C(N)=O ZINC000339355634 534874155 /nfs/dbraw/zinc/87/41/55/534874155.db2.gz FLWUAOFYPZCCLN-SNVBAGLBSA-N 1 0 230.308 0.011 20 30 BCEDRO C=CCOCCC[NH2+][C@@H](CO)C1CCOCC1 ZINC000348046012 534875433 /nfs/dbraw/zinc/87/54/33/534875433.db2.gz DAZYPOCBBOUPFI-ZDUSSCGKSA-N 1 0 243.347 0.956 20 30 BCEDRO C=CCOCC[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000339011617 534878076 /nfs/dbraw/zinc/87/80/76/534878076.db2.gz VRGKAVXRGQCZHN-UHFFFAOYSA-N 1 0 238.331 0.791 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000339056457 534878861 /nfs/dbraw/zinc/87/88/61/534878861.db2.gz LRGRVCPCQQPIKL-GFCCVEGCSA-N 1 0 238.331 0.886 20 30 BCEDRO CN1CCO[C@H](CNC(=[NH2+])N2CCCCC2)C1 ZINC000303973993 536442675 /nfs/dbraw/zinc/44/26/75/536442675.db2.gz HJHDFWYFVOZJHJ-LLVKDONJSA-N 1 0 240.351 0.118 20 30 BCEDRO C=CCNC(=O)CN1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000488078427 526536459 /nfs/dbraw/zinc/53/64/59/526536459.db2.gz TXVRVNCBKQBCSJ-LBPRGKRZSA-N 1 0 239.363 0.561 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000494925979 526697924 /nfs/dbraw/zinc/69/79/24/526697924.db2.gz ZHBRQGOUPVFZMO-GHMZBOCLSA-N 1 0 224.304 0.399 20 30 BCEDRO C#CCN(C(=O)NCC[NH2+]CCC)C1CC1 ZINC000491303808 526769315 /nfs/dbraw/zinc/76/93/15/526769315.db2.gz CJVSQADEKOKHKF-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[NH2+]C[C@H]1C)C1CC1 ZINC000491718085 526772696 /nfs/dbraw/zinc/77/26/96/526772696.db2.gz ZHWPXUIPDGSBFX-ZYHUDNBSSA-N 1 0 235.331 0.792 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CC[NH2+][C@@H](C)C1)C1CC1 ZINC000491567551 526773964 /nfs/dbraw/zinc/77/39/64/526773964.db2.gz LWVZLOJDTYFLAL-QWRGUYRKSA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCN(C)C(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000491661067 526790501 /nfs/dbraw/zinc/79/05/01/526790501.db2.gz ZJCOHZBTARQPGG-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1[C@H](C)C1(F)F ZINC000491569518 526822341 /nfs/dbraw/zinc/82/23/41/526822341.db2.gz WHQMYGYUZMOMEO-VHSXEESVSA-N 1 0 244.285 0.959 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cncc(C#N)n1 ZINC000401240270 526830264 /nfs/dbraw/zinc/83/02/64/526830264.db2.gz UYGXETQCEJPRIK-UHFFFAOYSA-N 1 0 229.287 0.715 20 30 BCEDRO C#CCN(CC#C)C(=S)NCCC[NH+](C)C ZINC000490763510 526844260 /nfs/dbraw/zinc/84/42/60/526844260.db2.gz SWOGUJNMMHKPSL-UHFFFAOYSA-N 1 0 237.372 0.381 20 30 BCEDRO C#CC[NH+](CC#C)CCCN1CCCC1=O ZINC000490761894 526845729 /nfs/dbraw/zinc/84/57/29/526845729.db2.gz CJDGKLWPCIYFME-UHFFFAOYSA-N 1 0 218.300 0.567 20 30 BCEDRO C#CC[N@H+](CC#CC)C[C@@H](O)CCOCC ZINC000491665919 526864731 /nfs/dbraw/zinc/86/47/31/526864731.db2.gz PRPKNHMDJDNDST-ZDUSSCGKSA-N 1 0 223.316 0.732 20 30 BCEDRO C#CC[NH+]1CCC2(CNC(=O)N2C)CC1 ZINC000491638399 526936677 /nfs/dbraw/zinc/93/66/77/526936677.db2.gz XECDZMRZLSBVTF-UHFFFAOYSA-N 1 0 207.277 0.109 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](Cc2cc[nH]c2)CC1 ZINC000491669028 526970856 /nfs/dbraw/zinc/97/08/56/526970856.db2.gz ZHCCXUZPMYCYTP-UHFFFAOYSA-N 1 0 245.326 0.976 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)C(C)(C)O ZINC000491724155 526981770 /nfs/dbraw/zinc/98/17/70/526981770.db2.gz DNEMQYUOFXNMIS-UHFFFAOYSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC(O)(CC)CC ZINC000491616429 526981906 /nfs/dbraw/zinc/98/19/06/526981906.db2.gz JACUZKJNBZPJBU-UHFFFAOYSA-N 1 0 240.347 0.657 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC[C@H]1CCOC1 ZINC000491645659 526982095 /nfs/dbraw/zinc/98/20/95/526982095.db2.gz PTDOTOKCBSWHFW-LBPRGKRZSA-N 1 0 238.331 0.532 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cnc(C)cc1C ZINC000491486914 526984722 /nfs/dbraw/zinc/98/47/22/526984722.db2.gz ZDZDEDJNKSSGAC-UHFFFAOYSA-N 1 0 245.326 0.928 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC[C@H](F)C1 ZINC000491408271 526986432 /nfs/dbraw/zinc/98/64/32/526986432.db2.gz VCOPJWPFUKMAKX-VHSXEESVSA-N 1 0 212.268 0.606 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)CC1CCC1 ZINC000491483679 526987177 /nfs/dbraw/zinc/98/71/77/526987177.db2.gz DKWUADADYJYFEE-LBPRGKRZSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CC[C@H](OC)C1 ZINC000491671053 526988921 /nfs/dbraw/zinc/98/89/21/526988921.db2.gz PVRFEPDQVFKDOL-QWRGUYRKSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+](CCC2CC2)CC1 ZINC000491621207 527001763 /nfs/dbraw/zinc/00/17/63/527001763.db2.gz CZVYJUGRJDKHBP-UHFFFAOYSA-N 1 0 249.358 0.154 20 30 BCEDRO C#CCNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000490893151 527010085 /nfs/dbraw/zinc/01/00/85/527010085.db2.gz RPRYTYBAQXBCQQ-GHMZBOCLSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000491630616 527012632 /nfs/dbraw/zinc/01/26/32/527012632.db2.gz QQBSTNUHAKGBCV-GFCCVEGCSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@]1(C)CCO[C@H]1C ZINC000300366234 527031077 /nfs/dbraw/zinc/03/10/77/527031077.db2.gz KQROOBFMKVDQKG-JBLDHEPKSA-N 1 0 224.304 0.281 20 30 BCEDRO C=CC[C@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC000487134668 527192570 /nfs/dbraw/zinc/19/25/70/527192570.db2.gz CJUHYJQAXKVSJR-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000487122063 527204917 /nfs/dbraw/zinc/20/49/17/527204917.db2.gz XWSKXFBBNSFDOP-AXFHLTTASA-N 1 0 226.320 0.237 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000491325974 527213861 /nfs/dbraw/zinc/21/38/61/527213861.db2.gz IVXFQOGGPAJRQW-MNOVXSKESA-N 1 0 207.277 0.198 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)COCCOC)C(C)C ZINC000300854679 527289836 /nfs/dbraw/zinc/28/98/36/527289836.db2.gz FSVCZMJMGVFTAY-VXGBXAGGSA-N 1 0 229.320 0.258 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCCC[NH2+]CC ZINC000491753620 527320354 /nfs/dbraw/zinc/32/03/54/527320354.db2.gz ZYNUARBVXZBOQQ-JTQLQIEISA-N 1 0 211.309 0.649 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000491486146 527376739 /nfs/dbraw/zinc/37/67/39/527376739.db2.gz ULXJEXUPZSJBFP-BXKDBHETSA-N 1 0 241.237 0.582 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H](C)C[NH3+])C(C)C ZINC000491819182 527393224 /nfs/dbraw/zinc/39/32/24/527393224.db2.gz MZTXPOBRFBLECS-UWVGGRQHSA-N 1 0 211.309 0.538 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H](C)C[NH3+])C(C)C ZINC000491819184 527393244 /nfs/dbraw/zinc/39/32/44/527393244.db2.gz MZTXPOBRFBLECS-ZJUUUORDSA-N 1 0 211.309 0.538 20 30 BCEDRO C=C[C@H](C)NC(=O)NCCOCC[NH+](C)C ZINC000471659038 527560495 /nfs/dbraw/zinc/56/04/95/527560495.db2.gz OSWXOTYVPWRPKU-JTQLQIEISA-N 1 0 229.324 0.438 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ncccc1O ZINC000262456321 536520186 /nfs/dbraw/zinc/52/01/86/536520186.db2.gz LFZARFQNSCLPLE-MRVPVSSYSA-N 1 0 238.291 0.226 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1cnn(C)c1C ZINC000134215929 536520488 /nfs/dbraw/zinc/52/04/88/536520488.db2.gz IQHXDSUIDLJEAE-MRVPVSSYSA-N 1 0 239.323 0.168 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccc(F)cn1 ZINC000262503612 536520665 /nfs/dbraw/zinc/52/06/65/536520665.db2.gz KYDXOFIAZMKUAX-MRVPVSSYSA-N 1 0 240.282 0.660 20 30 BCEDRO CC1CCN(C(=[NH2+])NCC2(O)CCC2)CC1 ZINC000304063769 528211613 /nfs/dbraw/zinc/21/16/13/528211613.db2.gz SAJFHEVVSDHIEW-UHFFFAOYSA-N 1 0 225.336 0.948 20 30 BCEDRO CC(C)NC(=[NH2+])NCCNC(=O)OC(C)(C)C ZINC000303793857 528967279 /nfs/dbraw/zinc/96/72/79/528967279.db2.gz ZXABELPPKLTRJO-UHFFFAOYSA-N 1 0 244.339 0.824 20 30 BCEDRO CC(C)(C)c1nnc(CNC(N)=[NH2+])s1 ZINC000262466130 534925991 /nfs/dbraw/zinc/92/59/91/534925991.db2.gz YGIHSKXGSKGQBO-UHFFFAOYSA-N 1 0 213.310 0.609 20 30 BCEDRO CCCN1C[C@@H](CNC(=[NH2+])NC(C)C)CC1=O ZINC000263210502 534963985 /nfs/dbraw/zinc/96/39/85/534963985.db2.gz YXXJMVGQPJZVCM-SNVBAGLBSA-N 1 0 240.351 0.558 20 30 BCEDRO CCC(CC)(CO)CNC1=[NH+]C[C@H](C)N1 ZINC000261537612 534989591 /nfs/dbraw/zinc/98/95/91/534989591.db2.gz VVCYVCUXRVQCQA-VIFPVBQESA-N 1 0 213.325 0.722 20 30 BCEDRO CC1(C)[C@@H](O)C[C@@H]1NC(=[NH2+])NC1CCC1 ZINC000263206165 535031286 /nfs/dbraw/zinc/03/12/86/535031286.db2.gz YGXNHTXZRXDMIY-IUCAKERBSA-N 1 0 211.309 0.603 20 30 BCEDRO CC(C)CNC(=[NH2+])NC[C@]1(C)CCC(=O)N1 ZINC000263214261 535064564 /nfs/dbraw/zinc/06/45/64/535064564.db2.gz ZPBHSNLWIWOULI-NSHDSACASA-N 1 0 226.324 0.215 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CCOC[C@@H]1C#N ZINC000362405997 535246235 /nfs/dbraw/zinc/24/62/35/535246235.db2.gz MTSRBBMZROKQCU-JTQLQIEISA-N 1 0 225.292 0.079 20 30 BCEDRO CC[NH+]=C(NC[C@H]1COCCO1)NC(C)(C)C ZINC000263275457 535265963 /nfs/dbraw/zinc/26/59/63/535265963.db2.gz YGDJMPFSZSPFBL-JTQLQIEISA-N 1 0 243.351 0.755 20 30 BCEDRO CC1(C)COCCN1CCNC(=[NH2+])NC1CC1 ZINC000171413290 535360396 /nfs/dbraw/zinc/36/03/96/535360396.db2.gz BULFLKXQLQABNI-UHFFFAOYSA-N 1 0 240.351 0.164 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCc1nncn1C ZINC000264101879 535385080 /nfs/dbraw/zinc/38/50/80/535385080.db2.gz OMGBKRPAKHLEIS-UHFFFAOYSA-N 1 0 224.312 0.266 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCn1ccnc1 ZINC000264083205 535389606 /nfs/dbraw/zinc/38/96/06/535389606.db2.gz IYHUMUYMEQFWAF-UHFFFAOYSA-N 1 0 209.297 0.540 20 30 BCEDRO CCNC(=[NH2+])NCC#Cc1ccccc1 ZINC000267454589 535422481 /nfs/dbraw/zinc/42/24/81/535422481.db2.gz SONHDFQLBMGBIT-UHFFFAOYSA-N 1 0 201.273 0.962 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000264132083 535424071 /nfs/dbraw/zinc/42/40/71/535424071.db2.gz UIJAUFYGHRUXQD-UHFFFAOYSA-N 1 0 220.276 0.210 20 30 BCEDRO CC[NH+](CC)CCS(=O)(=O)NCCCC#N ZINC000352241616 535563129 /nfs/dbraw/zinc/56/31/29/535563129.db2.gz MVHDPZJHFCJTFW-UHFFFAOYSA-N 1 0 247.364 0.551 20 30 BCEDRO CCN(CC)c1ccc(CNC(=[NH2+])NC)cn1 ZINC000264126820 535683087 /nfs/dbraw/zinc/68/30/87/535683087.db2.gz SJQUWMPCRRBFPR-UHFFFAOYSA-N 1 0 235.335 0.962 20 30 BCEDRO CCC[C@H]1CN(CC#N)CC[N@@H+]1CCOC ZINC000121745425 535739983 /nfs/dbraw/zinc/73/99/83/535739983.db2.gz ZOMARYLJWUQESE-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO CN(C)C[C@H](O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336769779 535955224 /nfs/dbraw/zinc/95/52/24/535955224.db2.gz VCGRKZVUDLZMHP-OUAUKWLOSA-N 1 0 211.309 0.191 20 30 BCEDRO C[NH+]=C(NC[C@H](O)C(F)(F)F)NC1CC1 ZINC000262148860 536304296 /nfs/dbraw/zinc/30/42/96/536304296.db2.gz QUOOLZDIYZDQOA-LURJTMIESA-N 1 0 225.214 0.237 20 30 BCEDRO CNC(=[NH2+])NCc1ccccc1OCCOC ZINC000264094898 536305127 /nfs/dbraw/zinc/30/51/27/536305127.db2.gz MEUFLWXZZDTXFI-UHFFFAOYSA-N 1 0 237.303 0.746 20 30 BCEDRO C[N@H+](CCC(C)(C)C#N)CC(C)(CO)CO ZINC000120595715 536313766 /nfs/dbraw/zinc/31/37/66/536313766.db2.gz KAFBWPHKDSIEJY-UHFFFAOYSA-N 1 0 228.336 0.849 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)CCCSCC#N ZINC000081554621 536345062 /nfs/dbraw/zinc/34/50/62/536345062.db2.gz CFHRCSRVUSDECN-JTQLQIEISA-N 1 0 243.376 0.947 20 30 BCEDRO CN1CCC[NH+]=C1NCCC1(O)CCC1 ZINC000263064854 536361271 /nfs/dbraw/zinc/36/12/71/536361271.db2.gz FZDMNSBEJCGVNH-UHFFFAOYSA-N 1 0 211.309 0.573 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC1(C#N)CCC1 ZINC000335723991 536369812 /nfs/dbraw/zinc/36/98/12/536369812.db2.gz GDPBWWSXVVWHGI-SECBINFHSA-N 1 0 207.277 0.643 20 30 BCEDRO COCC1(C#N)CC[NH+](CCC(=O)OC)CC1 ZINC000341981234 536802130 /nfs/dbraw/zinc/80/21/30/536802130.db2.gz BMYYUPQUGJKANJ-UHFFFAOYSA-N 1 0 240.303 0.802 20 30 BCEDRO CO[C@@](C)(CNC(=[NH2+])N1CCC1)C1CC1 ZINC000263193213 536819082 /nfs/dbraw/zinc/81/90/82/536819082.db2.gz WABBZHIACVFPFX-NSHDSACASA-N 1 0 211.309 0.822 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249787253 536852889 /nfs/dbraw/zinc/85/28/89/536852889.db2.gz MJWLQJVBHRNZRC-IVZWLZJFSA-N 1 0 227.308 0.105 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1C[C@@](C)(OC)C1(C)C ZINC000262379864 536853272 /nfs/dbraw/zinc/85/32/72/536853272.db2.gz GSMXTPMYMJQABS-BXKDBHETSA-N 1 0 243.351 0.741 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000263190211 536853392 /nfs/dbraw/zinc/85/33/92/536853392.db2.gz YDNNMLXMIXYFEK-OPRDCNLKSA-N 1 0 243.351 0.597 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1C[C@H]1C1CCC1 ZINC000263099283 536853703 /nfs/dbraw/zinc/85/37/03/536853703.db2.gz WJEQFFRZYNGNKE-VHSXEESVSA-N 1 0 211.309 0.726 20 30 BCEDRO COC[C@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)OC ZINC000308971211 536854720 /nfs/dbraw/zinc/85/47/20/536854720.db2.gz ZOQXCGIQSLUYDN-AXFHLTTASA-N 1 0 212.293 0.930 20 30 BCEDRO COCCN1CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000349386502 536879182 /nfs/dbraw/zinc/87/91/82/536879182.db2.gz ZRMMRZBSLHBAOL-AVGNSLFASA-N 1 0 237.347 0.989 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000666608918 537972660 /nfs/dbraw/zinc/97/26/60/537972660.db2.gz NVWBIWJTPULCJY-DCAQKATOSA-N 1 0 224.304 0.276 20 30 BCEDRO N#C[C@H]1CCC[C@H]1NC(=O)NCC[NH+]1CCC1 ZINC000332897350 566377421 /nfs/dbraw/zinc/37/74/21/566377421.db2.gz MOXNJMZETRYIFV-GHMZBOCLSA-N 1 0 236.319 0.684 20 30 BCEDRO C#C[C@H](NC(=O)N1CCC[C@@H]([NH3+])C1)C(C)C ZINC000491633414 566451828 /nfs/dbraw/zinc/45/18/28/566451828.db2.gz QAIDIXUXJXIHEQ-MNOVXSKESA-N 1 0 223.320 0.777 20 30 BCEDRO CC(C)([NH3+])CCNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000892853496 582996860 /nfs/dbraw/zinc/99/68/60/582996860.db2.gz FWCGDGCNFMXRDP-LLVKDONJSA-N 1 0 242.298 0.761 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NCCC(C)(C)[NH3+] ZINC000892850774 582996159 /nfs/dbraw/zinc/99/61/59/582996159.db2.gz NHEVQABXAOBPNM-JTQLQIEISA-N 1 0 243.351 0.740 20 30 BCEDRO C=CCN(C(=O)[C@]1(F)CC[NH2+]C1)[C@H](C)COC ZINC000852901884 583022127 /nfs/dbraw/zinc/02/21/27/583022127.db2.gz UNIHJGYWIWNMKY-PWSUYJOCSA-N 1 0 244.310 0.738 20 30 BCEDRO C=C[C@H](C)[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000893112514 583051010 /nfs/dbraw/zinc/05/10/10/583051010.db2.gz FFAYEECFTGANHD-AEJSXWLSSA-N 1 0 217.334 0.974 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000893285356 583086056 /nfs/dbraw/zinc/08/60/56/583086056.db2.gz XTGKCXNXUWOMBW-KPPDAEKUSA-N 1 0 247.360 0.336 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)COC(C)=O)[C@H]1CCCO1 ZINC000893677947 583196170 /nfs/dbraw/zinc/19/61/70/583196170.db2.gz YJOICQIJAUALHW-ZMLRMANQSA-N 1 0 225.288 0.708 20 30 BCEDRO CNC(NC[C@H](O)[C@H](C)c1ccccc1)=[NH+]C ZINC000853012782 588715383 /nfs/dbraw/zinc/71/53/83/588715383.db2.gz GCALCQQOHACZLM-PWSUYJOCSA-N 1 0 235.331 0.946 20 30 BCEDRO CCNC(NCc1ccnn1CC)=[NH+]CC ZINC000853012796 588715495 /nfs/dbraw/zinc/71/54/95/588715495.db2.gz GTBHFAZLVVLOKW-UHFFFAOYSA-N 1 0 223.324 0.978 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)c1ccccn1 ZINC000853111392 588721234 /nfs/dbraw/zinc/72/12/34/588721234.db2.gz UKCZACGFMJQNRI-YPMHNXCESA-N 1 0 234.299 0.479 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)c1ccccn1 ZINC000853110458 588721262 /nfs/dbraw/zinc/72/12/62/588721262.db2.gz ZXMWZZFIKMOXTD-JQWIXIFHSA-N 1 0 222.288 0.642 20 30 BCEDRO C#C[C@H]([NH2+]CCS(C)(=O)=O)C1CCOCC1 ZINC000853115607 588721490 /nfs/dbraw/zinc/72/14/90/588721490.db2.gz LGQKZPRIOFMRHD-NSHDSACASA-N 1 0 245.344 0.049 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1SCCS1 ZINC000853120223 588721691 /nfs/dbraw/zinc/72/16/91/588721691.db2.gz HKSNGRYYJKZESU-UHFFFAOYSA-N 1 0 244.385 0.522 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000853130905 588721985 /nfs/dbraw/zinc/72/19/85/588721985.db2.gz KSKAMVJMPRPAPB-JHJVBQTASA-N 1 0 232.283 0.705 20 30 BCEDRO CC[C@@H]1COCC1=NNC1=[NH+][C@H](C)CN1 ZINC000853330479 588733593 /nfs/dbraw/zinc/73/35/93/588733593.db2.gz NLNYAUUDAHXGDF-HTQZYQBOSA-N 1 0 210.281 0.336 20 30 BCEDRO COc1cncc(C=NNC2=[NH+]C[C@H](C)N2)c1 ZINC000853330941 588733811 /nfs/dbraw/zinc/73/38/11/588733811.db2.gz ZQHQTDACRNDELH-QMMMGPOBSA-N 1 0 233.275 0.361 20 30 BCEDRO CCCn1nccc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000853330818 588733908 /nfs/dbraw/zinc/73/39/08/588733908.db2.gz WEGXYDATIHINJM-SECBINFHSA-N 1 0 234.307 0.564 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2c(C3CC3)cnn2C)N1 ZINC000853330816 588733986 /nfs/dbraw/zinc/73/39/86/588733986.db2.gz WCBGZHRFFWOOAC-MRVPVSSYSA-N 1 0 246.318 0.569 20 30 BCEDRO C#CCOCCNC(=O)NCC[C@@H](C)[NH+](C)C ZINC000853983124 588770618 /nfs/dbraw/zinc/77/06/18/588770618.db2.gz CFOGNFYBFXTXSE-LLVKDONJSA-N 1 0 241.335 0.276 20 30 BCEDRO C#C[C@H](CC)NC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000854074890 588772580 /nfs/dbraw/zinc/77/25/80/588772580.db2.gz VNCMTBCRJQMERA-ZYHUDNBSSA-N 1 0 241.335 0.010 20 30 BCEDRO C#C[C@H](CC)NC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000854074889 588772701 /nfs/dbraw/zinc/77/27/01/588772701.db2.gz VNCMTBCRJQMERA-PWSUYJOCSA-N 1 0 241.335 0.010 20 30 BCEDRO C=CCC[NH2+][C@@H]1CCN[C@@H]1C(=O)OCC ZINC000854219123 588780060 /nfs/dbraw/zinc/78/00/60/588780060.db2.gz CZBRWUDYXRWWKN-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C1(CO)CC1 ZINC000854435845 588786809 /nfs/dbraw/zinc/78/68/09/588786809.db2.gz IXEQBBDFWBVKEB-UHFFFAOYSA-N 1 0 212.293 0.088 20 30 BCEDRO C#CCCCCCC(=O)N[C@H](CO)C[NH+](C)C ZINC000854466207 588788485 /nfs/dbraw/zinc/78/84/85/588788485.db2.gz YMXCKIZKYMSIOW-LBPRGKRZSA-N 1 0 240.347 0.609 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000854543176 588792344 /nfs/dbraw/zinc/79/23/44/588792344.db2.gz VIVOKPDKTVJRIL-ZJUUUORDSA-N 1 0 247.298 0.015 20 30 BCEDRO C#CC[C@H](CO)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000854545419 588792682 /nfs/dbraw/zinc/79/26/82/588792682.db2.gz IEKRATDHJQFKIU-GRYCIOLGSA-N 1 0 238.331 0.360 20 30 BCEDRO C#CC(=O)N1CCC([N@H+]2CCOC[C@H]2C)CC1 ZINC000854568168 588794743 /nfs/dbraw/zinc/79/47/43/588794743.db2.gz IPXVYEIPYQPPOS-LLVKDONJSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000854651481 588799451 /nfs/dbraw/zinc/79/94/51/588799451.db2.gz CYHJPEGJPQHQLD-RYUDHWBXSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CCCF ZINC000854663644 588799934 /nfs/dbraw/zinc/79/99/34/588799934.db2.gz ATTLXJZXJLQDAW-UHFFFAOYSA-N 1 0 214.284 0.807 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1cn(CC)cn1 ZINC000854663923 588800172 /nfs/dbraw/zinc/80/01/72/588800172.db2.gz IJSCMRQKWNBHHP-UHFFFAOYSA-N 1 0 248.330 0.588 20 30 BCEDRO C#C[C@@H](CO)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000854770825 588806848 /nfs/dbraw/zinc/80/68/48/588806848.db2.gz ORMJVMIREVIZMG-NEPJUHHUSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CC(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000854736306 588804689 /nfs/dbraw/zinc/80/46/89/588804689.db2.gz DYRVGDVJJKBJLL-GFCCVEGCSA-N 1 0 206.289 0.564 20 30 BCEDRO CON=CC(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855161281 588824799 /nfs/dbraw/zinc/82/47/99/588824799.db2.gz NIDBFKPEHUIAGT-SNVBAGLBSA-N 1 0 241.335 0.855 20 30 BCEDRO C=C(CO)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855162340 588824932 /nfs/dbraw/zinc/82/49/32/588824932.db2.gz WQSUMNXLKAZRKW-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(CO)C(=O)N[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855285282 588827183 /nfs/dbraw/zinc/82/71/83/588827183.db2.gz DWMUDZCBKUVHPL-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@H]2CCCC[N@H+]2CC)C1 ZINC000890521749 582463829 /nfs/dbraw/zinc/46/38/29/582463829.db2.gz RYADUENXXUDSND-LLVKDONJSA-N 1 0 236.315 0.067 20 30 BCEDRO C#CC(=O)N[C@@H](C)CN(C)CCC[NH+](C)C ZINC000855345539 588828557 /nfs/dbraw/zinc/82/85/57/588828557.db2.gz CPGZQCPSUSQAEF-NSHDSACASA-N 1 0 225.336 0.008 20 30 BCEDRO C#CCOCCC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000855361977 588828905 /nfs/dbraw/zinc/82/89/05/588828905.db2.gz XQGHCJCIHDTMCA-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCOCCC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000855361978 588829113 /nfs/dbraw/zinc/82/91/13/588829113.db2.gz XQGHCJCIHDTMCA-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO CC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCCC1 ZINC000843463846 582558619 /nfs/dbraw/zinc/55/86/19/582558619.db2.gz YICUMEUGBHHVLN-ZJUUUORDSA-N 1 0 221.304 0.794 20 30 BCEDRO CC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCCC1 ZINC000843463843 582558608 /nfs/dbraw/zinc/55/86/08/582558608.db2.gz YICUMEUGBHHVLN-VHSXEESVSA-N 1 0 221.304 0.794 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](CC)OC[C@H]1C ZINC000844391199 582580750 /nfs/dbraw/zinc/58/07/50/582580750.db2.gz NVBAJOVHNVCXHD-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](O)C(F)(F)C1 ZINC000855442836 588837165 /nfs/dbraw/zinc/83/71/65/588837165.db2.gz KHDBASNABLWOON-VIFPVBQESA-N 1 0 248.273 0.333 20 30 BCEDRO C[NH+](C)CC(=O)NCC#C[C@H]1CCCCO1 ZINC000891127628 582613551 /nfs/dbraw/zinc/61/35/51/582613551.db2.gz YUYITPKSPSSTAY-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C=CC(C)(C)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000891267073 582646196 /nfs/dbraw/zinc/64/61/96/582646196.db2.gz MODMBSILPGNLDG-LLVKDONJSA-N 1 0 238.331 0.788 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1ccco1 ZINC000846678430 582664370 /nfs/dbraw/zinc/66/43/70/582664370.db2.gz UCRUMEMMKUJKSI-ONGXEEELSA-N 1 0 233.271 0.440 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCO[C@@H]1CC1(F)F ZINC000855607944 588841988 /nfs/dbraw/zinc/84/19/88/588841988.db2.gz BZWPHJPHEHNCAV-SECBINFHSA-N 1 0 248.273 0.645 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@@H](C(=O)OC)C1 ZINC000840530023 582683125 /nfs/dbraw/zinc/68/31/25/582683125.db2.gz GOEQPVOGSNKFDP-AOOOYVTPSA-N 1 0 240.303 0.172 20 30 BCEDRO C#CCCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891670942 582708674 /nfs/dbraw/zinc/70/86/74/582708674.db2.gz DTSWDBIGLWFACK-TXEJJXNPSA-N 1 0 235.331 0.936 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891717841 582714315 /nfs/dbraw/zinc/71/43/15/582714315.db2.gz DKTXXPLKEJRPOB-XYPYZODXSA-N 1 0 241.335 0.616 20 30 BCEDRO CC(C)(C#N)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891765175 582718021 /nfs/dbraw/zinc/71/80/21/582718021.db2.gz CDZHEJJLLYCRTP-DTORHVGOSA-N 1 0 224.308 0.573 20 30 BCEDRO CCN(C(=O)NCC(C)(C)C#N)[C@@H]1CC[NH2+]C1 ZINC000891765230 582718148 /nfs/dbraw/zinc/71/81/48/582718148.db2.gz DAADBNMEBVUYSS-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO CC#CCCNC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000891814623 582724933 /nfs/dbraw/zinc/72/49/33/582724933.db2.gz SRLDSBJVEYRGKI-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891847677 582729629 /nfs/dbraw/zinc/72/96/29/582729629.db2.gz COCZZPSIIZFBEP-NEPJUHHUSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891848770 582729710 /nfs/dbraw/zinc/72/97/10/582729710.db2.gz RFXHMDKQVBVMRT-VHSXEESVSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891847867 582729892 /nfs/dbraw/zinc/72/98/92/582729892.db2.gz FYQTWMUBEHZUDD-UWVGGRQHSA-N 1 0 207.277 0.156 20 30 BCEDRO N#CC1(CNC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)CC1 ZINC000891875670 582734223 /nfs/dbraw/zinc/73/42/23/582734223.db2.gz NAAUPRQRPSOEFE-IUCAKERBSA-N 1 0 220.276 0.046 20 30 BCEDRO C=CCOCCCNC(=O)C(=C)C[NH+](C)C ZINC000855778524 588847738 /nfs/dbraw/zinc/84/77/38/588847738.db2.gz LPVFEYVGNCMOPD-UHFFFAOYSA-N 1 0 226.320 0.813 20 30 BCEDRO C=CCONC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891945732 582742250 /nfs/dbraw/zinc/74/22/50/582742250.db2.gz VHNSGDFRWFLAHN-DTORHVGOSA-N 1 0 211.265 0.250 20 30 BCEDRO C=CCONC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891944569 582742534 /nfs/dbraw/zinc/74/25/34/582742534.db2.gz OJOPWVVXFVAILR-MWLCHTKSSA-N 1 0 225.292 0.688 20 30 BCEDRO C=CCCNC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000892240267 582811618 /nfs/dbraw/zinc/81/16/18/582811618.db2.gz YXZPJJVVULJCFZ-CMPLNLGQSA-N 1 0 223.320 0.813 20 30 BCEDRO Cc1nn(C)c(C)c1CCCNC1=[NH+]C[C@@H](C)N1 ZINC000849015704 582826798 /nfs/dbraw/zinc/82/67/98/582826798.db2.gz LPMUGXAHKKDRFX-SECBINFHSA-N 1 0 249.362 0.907 20 30 BCEDRO N#Cc1ccc(CNC(=[NH2+])N2CCOCC2)nc1 ZINC000849020858 582828503 /nfs/dbraw/zinc/82/85/03/582828503.db2.gz PZAPDNDSCXBNOV-UHFFFAOYSA-N 1 0 245.286 0.310 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@]1(O)CCC[C@@H]1C ZINC000849033402 582835323 /nfs/dbraw/zinc/83/53/23/582835323.db2.gz ZNWKFTYSEXPGTC-ONGXEEELSA-N 1 0 211.309 0.837 20 30 BCEDRO C[NH+]=C(NC[C@H](C)CCCO)NC1CC1 ZINC000849035727 582837430 /nfs/dbraw/zinc/83/74/30/582837430.db2.gz HFNJCULZJDYAAX-SECBINFHSA-N 1 0 213.325 0.722 20 30 BCEDRO CNC(NCc1nccc(C(F)(F)F)n1)=[NH+]C ZINC000849042495 582839710 /nfs/dbraw/zinc/83/97/10/582839710.db2.gz QICSTEOQJIPOKF-UHFFFAOYSA-N 1 0 247.224 0.790 20 30 BCEDRO COCCOCCNC(=[NH2+])N1CCCCCC1 ZINC000126013343 582858018 /nfs/dbraw/zinc/85/80/18/582858018.db2.gz NNWVYVUDGQQZKK-UHFFFAOYSA-N 1 0 243.351 0.840 20 30 BCEDRO C#CCOCCC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000856073968 588859645 /nfs/dbraw/zinc/85/96/45/588859645.db2.gz YVDCIAZKASZMBF-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892551496 582911339 /nfs/dbraw/zinc/91/13/39/582911339.db2.gz JHUYMQNWLFRSEQ-OUAUKWLOSA-N 1 0 223.320 0.825 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892578792 582920176 /nfs/dbraw/zinc/92/01/76/582920176.db2.gz QOMLAYYWOPISFK-OPRDCNLKSA-N 1 0 224.308 0.525 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H]2COC[C@H]2C1 ZINC000856146532 588862597 /nfs/dbraw/zinc/86/25/97/588862597.db2.gz HKXVTBOKKRACFR-NWDGAFQWSA-N 1 0 238.331 0.599 20 30 BCEDRO C=C(C)[C@H](CO)Sc1nc(N)cc(N)[nH+]1 ZINC000393734448 582921125 /nfs/dbraw/zinc/92/11/25/582921125.db2.gz VGGZPSCXGYPLHP-LURJTMIESA-N 1 0 226.305 0.500 20 30 BCEDRO C=CCOCCNC(=O)C(=C)C[NH+](C)C ZINC000856153040 588863176 /nfs/dbraw/zinc/86/31/76/588863176.db2.gz KKUSZPNHFJZMOU-UHFFFAOYSA-N 1 0 212.293 0.423 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000856196686 588863668 /nfs/dbraw/zinc/86/36/68/588863668.db2.gz CYYJXAJKMKDBDW-NSHDSACASA-N 1 0 218.260 0.714 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[C@](C)(CO)C1 ZINC000856251553 588865484 /nfs/dbraw/zinc/86/54/84/588865484.db2.gz PLGZSBRZQWJTDB-AAEUAGOBSA-N 1 0 240.347 0.581 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](C)[C@@](C)(CO)C1 ZINC000856251555 588865536 /nfs/dbraw/zinc/86/55/36/588865536.db2.gz PLGZSBRZQWJTDB-WCQYABFASA-N 1 0 240.347 0.581 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@]1(C)OC ZINC000856269553 588866096 /nfs/dbraw/zinc/86/60/96/588866096.db2.gz USCZKAXOLNMECW-KOLCDFICSA-N 1 0 212.293 0.398 20 30 BCEDRO C=C[C@H](CO)NC(=O)CCCC[NH+]1CCCC1 ZINC000856275138 588866257 /nfs/dbraw/zinc/86/62/57/588866257.db2.gz RHQSVWIRGUAMKA-GFCCVEGCSA-N 1 0 240.347 0.916 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000851858765 582971844 /nfs/dbraw/zinc/97/18/44/582971844.db2.gz FUMLUITXFZPMMM-NSHDSACASA-N 1 0 213.321 0.975 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1c(C)noc1CC ZINC000892737540 582973015 /nfs/dbraw/zinc/97/30/15/582973015.db2.gz FALUTMRDNLVNIN-UHFFFAOYSA-N 1 0 249.314 0.775 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCN1C(=O)N[C@@H](C)C1=O ZINC000852103773 583000951 /nfs/dbraw/zinc/00/09/51/583000951.db2.gz QPIPQFWSQSWRFM-JOYOIKCWSA-N 1 0 237.303 0.318 20 30 BCEDRO C#CC(=O)NC[C@@H]1CCC[N@H+](CC2CC2)C1 ZINC000856477330 588873713 /nfs/dbraw/zinc/87/37/13/588873713.db2.gz OWKLLBQZWNNBLO-LBPRGKRZSA-N 1 0 220.316 0.858 20 30 BCEDRO CON=CC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000856488794 588873819 /nfs/dbraw/zinc/87/38/19/588873819.db2.gz DWUKCPLKHZQUJB-VIFPVBQESA-N 1 0 213.281 0.075 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000856489146 588873849 /nfs/dbraw/zinc/87/38/49/588873849.db2.gz KFEPZNMZUSYNDC-NWDGAFQWSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000856489147 588873936 /nfs/dbraw/zinc/87/39/36/588873936.db2.gz KFEPZNMZUSYNDC-RYUDHWBXSA-N 1 0 238.331 0.481 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)COC(C)=O ZINC000893285714 583086427 /nfs/dbraw/zinc/08/64/27/583086427.db2.gz ZFFHFVRCMFXISA-KOLCDFICSA-N 1 0 215.293 0.712 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cnc(F)c(C)c1 ZINC000893320412 583100021 /nfs/dbraw/zinc/10/00/21/583100021.db2.gz ZGZSDFYEMPCAPZ-UHFFFAOYSA-N 1 0 237.278 0.921 20 30 BCEDRO CCCCNC(=[NH2+])NCCN1CCOCC1 ZINC000104153051 583110352 /nfs/dbraw/zinc/11/03/52/583110352.db2.gz MHEFBABLPJNJFG-UHFFFAOYSA-N 1 0 228.340 0.023 20 30 BCEDRO CCOCCCNC(=[NH2+])N[C@H](C)COC ZINC000104153459 583110868 /nfs/dbraw/zinc/11/08/68/583110868.db2.gz BONTXMWWCFUXDC-SECBINFHSA-N 1 0 217.313 0.352 20 30 BCEDRO CCCNC(=[NH2+])NCC(=O)NCc1ccco1 ZINC000104157847 583124486 /nfs/dbraw/zinc/12/44/86/583124486.db2.gz WFPITVYOSZYHCV-UHFFFAOYSA-N 1 0 238.291 0.210 20 30 BCEDRO C#CC[NH+]1CCC([C@H](O)c2ccnn2C)CC1 ZINC000856803892 588878683 /nfs/dbraw/zinc/87/86/83/588878683.db2.gz JXOOJZSKGBCAHY-ZDUSSCGKSA-N 1 0 233.315 0.799 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C)COC(C)=O ZINC000893474301 583150734 /nfs/dbraw/zinc/15/07/34/583150734.db2.gz AVFLUGKCMZYNKE-VIFPVBQESA-N 1 0 201.266 0.730 20 30 BCEDRO FC(F)(F)c1cc(C=NNC2=[NH+]CCN2)c[nH]1 ZINC000841658591 583155543 /nfs/dbraw/zinc/15/55/43/583155543.db2.gz BLPLJKAZTCCITL-UHFFFAOYSA-N 1 0 245.208 0.916 20 30 BCEDRO COCCOC[C@H](C)[NH2+]C[C@@H](C)C#N ZINC000893544430 583160080 /nfs/dbraw/zinc/16/00/80/583160080.db2.gz KLVTXACTUQWLML-UWVGGRQHSA-N 1 0 200.282 0.787 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NCCC#N)C1CCOCC1 ZINC000223847045 583182012 /nfs/dbraw/zinc/18/20/12/583182012.db2.gz SPBUEVPBMFBAFI-JTQLQIEISA-N 1 0 239.319 0.421 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)COC(C)=O)[C@@H]1CCCO1 ZINC000893677945 583195498 /nfs/dbraw/zinc/19/54/98/583195498.db2.gz YJOICQIJAUALHW-DLOVCJGASA-N 1 0 225.288 0.708 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@H](C)CC#N ZINC000893871984 583237932 /nfs/dbraw/zinc/23/79/32/583237932.db2.gz JMOFNTWPAMGZGG-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCSCC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000893869466 583242054 /nfs/dbraw/zinc/24/20/54/583242054.db2.gz ANGWNWWZMZWSHD-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(c3cncc(C#N)n3)[C@@H]2C1 ZINC000893933799 583252128 /nfs/dbraw/zinc/25/21/28/583252128.db2.gz CUHGAVAHYPQVGQ-GXSJLCMTSA-N 1 0 229.287 0.489 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCC[C@H](C)[NH3+] ZINC000857109056 588888820 /nfs/dbraw/zinc/88/88/20/588888820.db2.gz HIMDTJBISHLQIT-VHSXEESVSA-N 1 0 211.309 0.825 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000894108083 583307093 /nfs/dbraw/zinc/30/70/93/583307093.db2.gz PUTOUDKKDHWPPO-GHMZBOCLSA-N 1 0 238.335 0.787 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000894108067 583307242 /nfs/dbraw/zinc/30/72/42/583307242.db2.gz POCRHLKEUJRWPS-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894108433 583307778 /nfs/dbraw/zinc/30/77/78/583307778.db2.gz SUSRHXHZWNHMOW-MXWKQRLJSA-N 1 0 236.319 0.349 20 30 BCEDRO CC(=O)N1CCC(=NNC(N)=[NH2+])c2ccccc21 ZINC000857207136 588892674 /nfs/dbraw/zinc/89/26/74/588892674.db2.gz SRJLQZJJXSXPMH-UHFFFAOYSA-N 1 0 245.286 0.630 20 30 BCEDRO CCON(C)C(=O)C[NH2+]C[C@@H](C)CCC#N ZINC000877612637 583339868 /nfs/dbraw/zinc/33/98/68/583339868.db2.gz SFHWQAYGQSZXRU-JTQLQIEISA-N 1 0 227.308 0.926 20 30 BCEDRO C#CCSCCNC(=O)N(C)CCC[NH3+] ZINC000841832557 583341860 /nfs/dbraw/zinc/34/18/60/583341860.db2.gz PMGGGGGHFUSCRL-UHFFFAOYSA-N 1 0 229.349 0.343 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CC[C@H]1O ZINC000857240827 588900657 /nfs/dbraw/zinc/90/06/57/588900657.db2.gz PJIYUPNVDOESCW-IVZWLZJFSA-N 1 0 212.293 0.400 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@@H]1CC[C@H]1O ZINC000857240829 588900904 /nfs/dbraw/zinc/90/09/04/588900904.db2.gz PJIYUPNVDOESCW-OPRDCNLKSA-N 1 0 212.293 0.400 20 30 BCEDRO CC(C)CN(CCC#N)CCc1nnnn1C ZINC000878120698 583362162 /nfs/dbraw/zinc/36/21/62/583362162.db2.gz AMVBARUCHHDQKK-UHFFFAOYSA-N 1 0 236.323 0.624 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@H]1C[NH+]1CCCC1 ZINC000726870914 583380045 /nfs/dbraw/zinc/38/00/45/583380045.db2.gz REBNWTPXESXYNP-ZDUSSCGKSA-N 1 0 249.358 0.296 20 30 BCEDRO CC[N@@H+]1CCCN(CC(=O)NCCC#N)CC1 ZINC000726870827 583380336 /nfs/dbraw/zinc/38/03/36/583380336.db2.gz OUBODXWDTVGNBI-UHFFFAOYSA-N 1 0 238.335 0.044 20 30 BCEDRO CC1(C)COC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000894234247 583385916 /nfs/dbraw/zinc/38/59/16/583385916.db2.gz VEEOLTBXIQUDFE-GFCCVEGCSA-N 1 0 237.347 0.989 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCN(c2nncn2C)CC1 ZINC000878844583 583407051 /nfs/dbraw/zinc/40/70/51/583407051.db2.gz FAKVADWOEBKLOL-NSHDSACASA-N 1 0 235.335 0.902 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000894461121 583466863 /nfs/dbraw/zinc/46/68/63/583466863.db2.gz NHZNOJZMRCWGOP-HRDYMLBCSA-N 1 0 249.257 0.567 20 30 BCEDRO C[N@H+]1C[C@H]2CN(C(=O)NCCC#N)C[C@H]2C1 ZINC000894486382 583471754 /nfs/dbraw/zinc/47/17/54/583471754.db2.gz URKIGNPIGUSDSQ-AOOOYVTPSA-N 1 0 222.292 0.103 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](CF)C1 ZINC000880238172 583509633 /nfs/dbraw/zinc/50/96/33/583509633.db2.gz QKCMVPQKBVGJJD-NSHDSACASA-N 1 0 226.295 0.807 20 30 BCEDRO Cc1cc(C#N)nc(NCC[N@@H+]2CC[C@H](O)C2)c1 ZINC000894832748 583528294 /nfs/dbraw/zinc/52/82/94/583528294.db2.gz KUKSZOZYEIDOKM-LBPRGKRZSA-N 1 0 246.314 0.740 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880436502 583534663 /nfs/dbraw/zinc/53/46/63/583534663.db2.gz WRPOUXJMQVILEA-VXGBXAGGSA-N 1 0 227.304 0.372 20 30 BCEDRO COCc1nc(C)cc(NCC#CC[NH+](C)C)n1 ZINC000894875760 583541348 /nfs/dbraw/zinc/54/13/48/583541348.db2.gz JSCUQCWHUDUURJ-UHFFFAOYSA-N 1 0 248.330 0.908 20 30 BCEDRO CC[NH2+]Cc1cn(CCO[C@@H](C)C#N)nn1 ZINC000881324537 583551285 /nfs/dbraw/zinc/55/12/85/583551285.db2.gz WUUWYAYSCMJLCS-VIFPVBQESA-N 1 0 223.280 0.316 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000894936000 583558093 /nfs/dbraw/zinc/55/80/93/583558093.db2.gz FFVCZMBAJVRIND-SGMGOOAPSA-N 1 0 249.358 0.991 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)Cn1cncn1 ZINC000895102831 583589152 /nfs/dbraw/zinc/58/91/52/583589152.db2.gz GEKNAZZVZYAEOU-QWRGUYRKSA-N 1 0 222.292 0.031 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H](C[NH3+])CCCC ZINC000841873981 583590095 /nfs/dbraw/zinc/59/00/95/583590095.db2.gz CIFQTWFIUWAKDA-LLVKDONJSA-N 1 0 241.335 0.453 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc(OC)cn1 ZINC000895132511 583601008 /nfs/dbraw/zinc/60/10/08/583601008.db2.gz UFUXPBODMMIDAP-GFCCVEGCSA-N 1 0 234.299 0.954 20 30 BCEDRO CO[C@H](C)[C@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895157231 583608006 /nfs/dbraw/zinc/60/80/06/583608006.db2.gz NOUHTWPBSKEPTO-YIZRAAEISA-N 1 0 216.281 0.380 20 30 BCEDRO CC[C@@](C)(C[NH2+][C@@H]1CCCN(O)C1=O)OC ZINC000895159086 583608183 /nfs/dbraw/zinc/60/81/83/583608183.db2.gz SEPAAECJJPZKSF-KOLCDFICSA-N 1 0 230.308 0.771 20 30 BCEDRO O=C1[C@@H]([NH2+]C[C@H]2CCSC2)CCCN1O ZINC000895159448 583608211 /nfs/dbraw/zinc/60/82/11/583608211.db2.gz FSLBVOYXFHJUCB-BDAKNGLRSA-N 1 0 230.333 0.709 20 30 BCEDRO CO[C@@H](C[NH2+][C@H]1CCCN(O)C1=O)C1CC1 ZINC000895158396 583608663 /nfs/dbraw/zinc/60/86/63/583608663.db2.gz ZRRIIANINXWSPR-UWVGGRQHSA-N 1 0 228.292 0.381 20 30 BCEDRO O=C1[C@H]([NH2+]C[C@H]2CCSC2)CCCN1O ZINC000895159451 583608676 /nfs/dbraw/zinc/60/86/76/583608676.db2.gz FSLBVOYXFHJUCB-RKDXNWHRSA-N 1 0 230.333 0.709 20 30 BCEDRO Cc1cnccc1C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895158629 583608682 /nfs/dbraw/zinc/60/86/82/583608682.db2.gz LFGHPQGHDKTYIZ-LLVKDONJSA-N 1 0 235.287 0.860 20 30 BCEDRO O=C1[C@@H]([NH2+]CC[C@@H]2CCOC2)CCCN1O ZINC000895158958 583608863 /nfs/dbraw/zinc/60/88/63/583608863.db2.gz AFXMMUHEWRQVLV-ZJUUUORDSA-N 1 0 228.292 0.383 20 30 BCEDRO C[C@@H]1C[C@@H](N[C@H]2CCCN(O)C2=O)CC[N@@H+]1C ZINC000895159423 583609087 /nfs/dbraw/zinc/60/90/87/583609087.db2.gz VMCBYLAIGUBPEY-VWYCJHECSA-N 1 0 241.335 0.439 20 30 BCEDRO C[C@@H]1COCC[C@@H]1[NH2+][C@H]1CCCN(O)C1=O ZINC000895158997 583609188 /nfs/dbraw/zinc/60/91/88/583609188.db2.gz BEMCOTNKQTUDRY-UTLUCORTSA-N 1 0 228.292 0.381 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@H]1CC1(F)F ZINC000895159894 583609301 /nfs/dbraw/zinc/60/93/01/583609301.db2.gz YPUHGALIAZQMSB-XLPZGREQSA-N 1 0 234.246 1.000 20 30 BCEDRO CO[C@@H]1CCC[C@H]([NH2+][C@H]2CCCN(O)C2=O)C1 ZINC000895159941 583609327 /nfs/dbraw/zinc/60/93/27/583609327.db2.gz JDMDMELCCSLFNQ-AXFHLTTASA-N 1 0 242.319 0.914 20 30 BCEDRO C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCN(O)C1=O ZINC000895162853 583610857 /nfs/dbraw/zinc/61/08/57/583610857.db2.gz OHRSRKBNPLDIPH-DJLDLDEBSA-N 1 0 214.265 0.134 20 30 BCEDRO CC1(C)OC[C@H](C[NH2+][C@@H]2CCCN(O)C2=O)O1 ZINC000895196755 583622886 /nfs/dbraw/zinc/62/28/86/583622886.db2.gz MPZKPJHUHNQRAM-DTWKUNHWSA-N 1 0 244.291 0.108 20 30 BCEDRO CCNC(NCCN1CCO[C@H](C)C1)=[NH+]CC ZINC000727241482 583624640 /nfs/dbraw/zinc/62/46/40/583624640.db2.gz SGTXGFOYLMHRSU-LLVKDONJSA-N 1 0 242.367 0.282 20 30 BCEDRO CNC(NCc1ccc2c(c1)CCO2)=[NH+]C ZINC000727241468 583624709 /nfs/dbraw/zinc/62/47/09/583624709.db2.gz PVSMCVFWFXYUQT-UHFFFAOYSA-N 1 0 219.288 0.916 20 30 BCEDRO C=CCONC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000895248212 583631861 /nfs/dbraw/zinc/63/18/61/583631861.db2.gz KGKWXUTVDJWGIV-SNVBAGLBSA-N 1 0 227.308 0.745 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000895249170 583632083 /nfs/dbraw/zinc/63/20/83/583632083.db2.gz OYVPHAASARFQDC-MNOVXSKESA-N 1 0 239.319 0.982 20 30 BCEDRO C=CCONC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000895248211 583632209 /nfs/dbraw/zinc/63/22/09/583632209.db2.gz KGKWXUTVDJWGIV-JTQLQIEISA-N 1 0 227.308 0.745 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]2[C@@H]1CCC[N@H+]2C ZINC000895249171 583632336 /nfs/dbraw/zinc/63/23/36/583632336.db2.gz OYVPHAASARFQDC-QWRGUYRKSA-N 1 0 239.319 0.982 20 30 BCEDRO C=CCONC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000895247713 583632770 /nfs/dbraw/zinc/63/27/70/583632770.db2.gz ICWPQQYQAKXNDB-SNVBAGLBSA-N 1 0 227.308 0.888 20 30 BCEDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000895325860 583651072 /nfs/dbraw/zinc/65/10/72/583651072.db2.gz VEIWFKXVZMAOOK-CHWSQXEVSA-N 1 0 247.298 0.271 20 30 BCEDRO C#Cc1ccc(C[N@H+]2C[C@@H](O)C[C@]2(C)CO)cc1 ZINC000895329286 583651395 /nfs/dbraw/zinc/65/13/95/583651395.db2.gz ISOYTGDCIKJBKC-LSDHHAIUSA-N 1 0 245.322 0.986 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000895339827 583654294 /nfs/dbraw/zinc/65/42/94/583654294.db2.gz AIWWQCAXDRTGFR-CSMHCCOUSA-N 1 0 235.230 0.177 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841886891 583655487 /nfs/dbraw/zinc/65/54/87/583655487.db2.gz VQZZGYMFPPVNQZ-LLVKDONJSA-N 1 0 223.320 0.841 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2c(C)cnn2C)CC1 ZINC000895384290 583662988 /nfs/dbraw/zinc/66/29/88/583662988.db2.gz IYKJEMBXUGIREJ-UHFFFAOYSA-N 1 0 233.315 0.689 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000895415484 583667466 /nfs/dbraw/zinc/66/74/66/583667466.db2.gz NEFYWIZIALWXBF-SDDRHHMPSA-N 1 0 239.315 0.956 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1C[C@H](OCC)[C@H]1SC ZINC000895490638 583680952 /nfs/dbraw/zinc/68/09/52/583680952.db2.gz RJQBXUOIPKHOEE-WYUUTHIRSA-N 1 0 243.372 0.869 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H]2COC(C)(C)O2)CC1 ZINC000895539254 583687259 /nfs/dbraw/zinc/68/72/59/583687259.db2.gz WHHUULVVKNVSSK-NSHDSACASA-N 1 0 239.315 0.598 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000895678786 583704459 /nfs/dbraw/zinc/70/44/59/583704459.db2.gz IFBIZGAZHINPFN-SRVKXCTJSA-N 1 0 235.331 0.886 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@@H](C)COCCOC ZINC000895672837 583706952 /nfs/dbraw/zinc/70/69/52/583706952.db2.gz XTWUASANJKHTTK-NWDGAFQWSA-N 1 0 229.320 0.666 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000895690940 583707479 /nfs/dbraw/zinc/70/74/79/583707479.db2.gz BPSJIOSGSGZKJP-GHMZBOCLSA-N 1 0 223.320 0.908 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000895689866 583707550 /nfs/dbraw/zinc/70/75/50/583707550.db2.gz VOHDWFZDRKXJEI-XQQFMLRXSA-N 1 0 249.358 0.991 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000895713288 583711226 /nfs/dbraw/zinc/71/12/26/583711226.db2.gz MPSHJGUGROQDBI-YNEHKIRRSA-N 1 0 243.347 0.955 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C[C@H](C)COC)C1 ZINC000895748953 583717338 /nfs/dbraw/zinc/71/73/38/583717338.db2.gz TYACGRUJMADHNL-QWHCGFSZSA-N 1 0 224.348 0.956 20 30 BCEDRO C#Cc1cnc(N[C@@H]2CC[N@H+](C)[C@H]2C)nc1 ZINC000895736277 583717862 /nfs/dbraw/zinc/71/78/62/583717862.db2.gz IXDLKPJRXLWXKF-GXSJLCMTSA-N 1 0 216.288 0.962 20 30 BCEDRO C#CC[NH+]1CCC(Nc2cc(OC)ncn2)CC1 ZINC000895808605 583729492 /nfs/dbraw/zinc/72/94/92/583729492.db2.gz KYAJWOGYAROSNP-UHFFFAOYSA-N 1 0 246.314 0.995 20 30 BCEDRO C#CC[NH+]1CCC(Nc2cnccn2)CC1 ZINC000895804058 583731365 /nfs/dbraw/zinc/73/13/65/583731365.db2.gz MALUBSROFOFIDJ-UHFFFAOYSA-N 1 0 216.288 0.986 20 30 BCEDRO C#CC[NH+]1CCC(Nc2ccnc(C#N)c2)CC1 ZINC000895807289 583732611 /nfs/dbraw/zinc/73/26/11/583732611.db2.gz NCDPXFTZHNKCSO-UHFFFAOYSA-N 1 0 240.310 0.885 20 30 BCEDRO C#CCSCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000895883123 583738301 /nfs/dbraw/zinc/73/83/01/583738301.db2.gz BUTKVFYCYJUOMW-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cn(CC)nc1C ZINC000895962710 583751428 /nfs/dbraw/zinc/75/14/28/583751428.db2.gz BELXGNBUXHVNRU-LBPRGKRZSA-N 1 0 221.304 0.685 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000895963839 583753638 /nfs/dbraw/zinc/75/36/38/583753638.db2.gz JWKHQLQHUNHZQY-WRWGMCAJSA-N 1 0 227.304 0.153 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cn(C)nc1C1CC1 ZINC000895965141 583753791 /nfs/dbraw/zinc/75/37/91/583753791.db2.gz SPWGDKCZSCXFTJ-GFCCVEGCSA-N 1 0 233.315 0.771 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000895963838 583753820 /nfs/dbraw/zinc/75/38/20/583753820.db2.gz JWKHQLQHUNHZQY-NNYUYHANSA-N 1 0 227.304 0.153 20 30 BCEDRO CC1(C)[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CS1(=O)=O ZINC000895982809 583757924 /nfs/dbraw/zinc/75/79/24/583757924.db2.gz FZZCXYQHWFFRGV-AEJSXWLSSA-N 1 0 242.344 0.844 20 30 BCEDRO CC1(C)[C@@H]([NH2+][C@H]2CC[C@@H](C#N)C2)CS1(=O)=O ZINC000895982812 583758017 /nfs/dbraw/zinc/75/80/17/583758017.db2.gz FZZCXYQHWFFRGV-UTLUCORTSA-N 1 0 242.344 0.844 20 30 BCEDRO C#CC1(F)CN(CC2CC[NH+](C)CC2)C1 ZINC000896011779 583762327 /nfs/dbraw/zinc/76/23/27/583762327.db2.gz NRWVGNVIQIUCQW-UHFFFAOYSA-N 1 0 210.296 0.985 20 30 BCEDRO CCO[C@@H](CNc1cc(C#N)ncn1)C[NH+](C)C ZINC000896113888 583771574 /nfs/dbraw/zinc/77/15/74/583771574.db2.gz UIGULOSKSQVMNR-NSHDSACASA-N 1 0 249.318 0.727 20 30 BCEDRO CCO[C@@H](CNc1ccc(C#N)nn1)C[NH+](C)C ZINC000896112726 583771777 /nfs/dbraw/zinc/77/17/77/583771777.db2.gz NUNLKRWLCHNEKO-NSHDSACASA-N 1 0 249.318 0.727 20 30 BCEDRO CCO[C@@H](CNc1ccncc1C#N)C[NH+](C)C ZINC000896114975 583772049 /nfs/dbraw/zinc/77/20/49/583772049.db2.gz IBBCPCIDXOMKKU-LBPRGKRZSA-N 1 0 248.330 0.754 20 30 BCEDRO CCO[C@@H](CNc1cc(C#N)cnn1)C[NH+](C)C ZINC000896111426 583772549 /nfs/dbraw/zinc/77/25/49/583772549.db2.gz FYENVCVYQNCMJC-NSHDSACASA-N 1 0 249.318 0.727 20 30 BCEDRO C#C[C@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000896619078 583817990 /nfs/dbraw/zinc/81/79/90/583817990.db2.gz JHLHIWMYWFBABR-NWDGAFQWSA-N 1 0 235.331 0.888 20 30 BCEDRO CN(C(=[NH2+])NCCCN1CCOCC1)C1CC1 ZINC000115958398 588938566 /nfs/dbraw/zinc/93/85/66/588938566.db2.gz RMRFKRVUIVCLCV-UHFFFAOYSA-N 1 0 240.351 0.118 20 30 BCEDRO C#CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000728126233 583848386 /nfs/dbraw/zinc/84/83/86/583848386.db2.gz RWRFQIJIDYETMS-UHFFFAOYSA-N 1 0 235.291 0.199 20 30 BCEDRO CCNC(NCCOC[C@@H]1CCCO1)=[NH+]CC ZINC000115927407 588938319 /nfs/dbraw/zinc/93/83/19/588938319.db2.gz YWUGRSBXEPIBQB-NSHDSACASA-N 1 0 243.351 0.757 20 30 BCEDRO C#CCN(CC#N)Cc1c(C)ccnc1N ZINC000897164076 583887951 /nfs/dbraw/zinc/88/79/51/583887951.db2.gz HRBIAZVSBDWNFP-UHFFFAOYSA-N 1 0 214.272 0.931 20 30 BCEDRO C=CCONC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000841913530 583904589 /nfs/dbraw/zinc/90/45/89/583904589.db2.gz PCBDMALLXKUNKX-SECBINFHSA-N 1 0 227.308 0.873 20 30 BCEDRO C[NH2+]CCN(C)C(=O)c1coc(C#N)c1 ZINC000870938969 583932033 /nfs/dbraw/zinc/93/20/33/583932033.db2.gz HTMLEPVXNWUGNY-UHFFFAOYSA-N 1 0 207.233 0.443 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]N[C@H]1CCOC1 ZINC000872370727 583949674 /nfs/dbraw/zinc/94/96/74/583949674.db2.gz CYPVISKIXGMRDQ-VIFPVBQESA-N 1 0 220.276 0.685 20 30 BCEDRO C#CCN(C(=O)C1C[NH+]([C@H]2CCOC2)C1)C1CC1 ZINC000897404317 583951599 /nfs/dbraw/zinc/95/15/99/583951599.db2.gz BOJVVIFXHOXGAI-ZDUSSCGKSA-N 1 0 248.326 0.331 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H](C)C[NH3+] ZINC000841982725 583959625 /nfs/dbraw/zinc/95/96/25/583959625.db2.gz IACPNLVGAHHSQN-JTQLQIEISA-N 1 0 207.277 0.002 20 30 BCEDRO C#CCSCC(=O)N(CC[NH+](C)C)C1CC1 ZINC000897423231 583964564 /nfs/dbraw/zinc/96/45/64/583964564.db2.gz MLQSUNXSOANSOU-UHFFFAOYSA-N 1 0 240.372 0.905 20 30 BCEDRO C#CCSCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000897428044 583972655 /nfs/dbraw/zinc/97/26/55/583972655.db2.gz URDZCUZRROZAAK-LLVKDONJSA-N 1 0 240.372 0.953 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897433883 583973789 /nfs/dbraw/zinc/97/37/89/583973789.db2.gz GJLNKTHUJIHWJY-UWVGGRQHSA-N 1 0 208.305 0.997 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@@H]1CCCCO1 ZINC000863105329 583976044 /nfs/dbraw/zinc/97/60/44/583976044.db2.gz MTTBHOBKYFDYNC-WPRPVWTQSA-N 1 0 224.308 0.869 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1c(C)nnn1CC ZINC000858334150 588946281 /nfs/dbraw/zinc/94/62/81/588946281.db2.gz HXPJZPJOOZPDDZ-NSHDSACASA-N 1 0 236.319 0.734 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000858334272 588946526 /nfs/dbraw/zinc/94/65/26/588946526.db2.gz KWGLERKVYFDCHQ-DDHJBXDOSA-N 1 0 239.315 0.812 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1nccn1C ZINC000858334385 588946577 /nfs/dbraw/zinc/94/65/77/588946577.db2.gz VRWNNPHNJLBHQV-NSHDSACASA-N 1 0 221.304 0.938 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccn(C)n1 ZINC000858333473 588946715 /nfs/dbraw/zinc/94/67/15/588946715.db2.gz HKOZXGQHQYBIFV-NSHDSACASA-N 1 0 221.304 0.938 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000897456825 583987658 /nfs/dbraw/zinc/98/76/58/583987658.db2.gz MBAPTTIILJRZSE-NSHDSACASA-N 1 0 223.320 0.603 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000897514964 583999510 /nfs/dbraw/zinc/99/95/10/583999510.db2.gz DYJPYLCOMRWSCK-WDEREUQCSA-N 1 0 241.335 0.317 20 30 BCEDRO C#CCOc1ccc(C[NH2+]C[C@H](O)[C@@H](C)O)cc1 ZINC000865738018 584028265 /nfs/dbraw/zinc/02/82/65/584028265.db2.gz AQDMASKPKYGXSC-RISCZKNCSA-N 1 0 249.310 0.530 20 30 BCEDRO C#CCONC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000897812735 584046985 /nfs/dbraw/zinc/04/69/85/584046985.db2.gz XMSPHUDXKAOKSI-LLVKDONJSA-N 1 0 248.286 0.471 20 30 BCEDRO C=CCNC(=O)CNc1cc[nH+]c(CO)c1 ZINC000858470134 588957957 /nfs/dbraw/zinc/95/79/57/588957957.db2.gz VTUVMLXXOCZRQY-UHFFFAOYSA-N 1 0 221.260 0.288 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC([NH+]3CCCC3)C2)[nH]1 ZINC000898607835 584145655 /nfs/dbraw/zinc/14/56/55/584145655.db2.gz BWVNMNOIVORFFD-UHFFFAOYSA-N 1 0 244.298 0.807 20 30 BCEDRO CON=CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000898828462 584161150 /nfs/dbraw/zinc/16/11/50/584161150.db2.gz CCRSCPQBHCOYJD-ZJUUUORDSA-N 1 0 239.319 0.608 20 30 BCEDRO C=CCNC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000899242072 584185692 /nfs/dbraw/zinc/18/56/92/584185692.db2.gz SEBBQXNYOGSSBX-NXEZZACHSA-N 1 0 211.309 0.799 20 30 BCEDRO C=CCNC(=O)N1CC[NH2+]C[C@H]1CCOC ZINC000899249405 584188231 /nfs/dbraw/zinc/18/82/31/584188231.db2.gz YYBTVNUVONPVIN-SNVBAGLBSA-N 1 0 227.308 0.192 20 30 BCEDRO CCNC(NCCc1cc(C)n(C)n1)=[NH+]CC ZINC000899263027 584190557 /nfs/dbraw/zinc/19/05/57/584190557.db2.gz ZGOIULJXUSIUOL-UHFFFAOYSA-N 1 0 237.351 0.846 20 30 BCEDRO CNC(NC[C@]12C[C@H]1COC21CCC1)=[NH+]C ZINC000899263517 584191002 /nfs/dbraw/zinc/19/10/02/584191002.db2.gz AUXFENLLBWIFJW-GXSJLCMTSA-N 1 0 223.320 0.740 20 30 BCEDRO C#CCOCCNC(=[NH2+])N[C@@H](C)C1CC1 ZINC000899270234 584193793 /nfs/dbraw/zinc/19/37/93/584193793.db2.gz JAUPGYUMCGGNAY-VIFPVBQESA-N 1 0 209.293 0.549 20 30 BCEDRO C=CCNC(=S)NC[C@H](C[NH+](C)C)OCC ZINC000899565097 584219872 /nfs/dbraw/zinc/21/98/72/584219872.db2.gz ALTAONRKPPCTOC-SNVBAGLBSA-N 1 0 245.392 0.603 20 30 BCEDRO N#Cc1cncn(C[C@@H]2CCCC[NH2+]C2)c1=O ZINC000899630704 584221982 /nfs/dbraw/zinc/22/19/82/584221982.db2.gz XXVMQWCQXQXRSC-SNVBAGLBSA-N 1 0 232.287 0.505 20 30 BCEDRO C=C[C@](C)(CC)C(=O)NCC[N@H+](C)CCO ZINC000899738329 584232932 /nfs/dbraw/zinc/23/29/32/584232932.db2.gz YWLAKTZIHQNDIM-GFCCVEGCSA-N 1 0 228.336 0.629 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCC[N@H+](C)CCO ZINC000899732973 584234757 /nfs/dbraw/zinc/23/47/57/584234757.db2.gz PXGMDPBTDIPWOT-NSHDSACASA-N 1 0 244.335 0.008 20 30 BCEDRO C=CCC(CC=C)C(=O)NCC[N@H+](C)CCO ZINC000899734546 584235353 /nfs/dbraw/zinc/23/53/53/584235353.db2.gz KAWYCTGZGSAEGH-UHFFFAOYSA-N 1 0 240.347 0.795 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2COC[C@H]2CC)nn1 ZINC000899884509 584247033 /nfs/dbraw/zinc/24/70/33/584247033.db2.gz HBOSXRMXIKYVIH-ZYHUDNBSSA-N 1 0 236.319 0.979 20 30 BCEDRO C=CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000899922521 584257268 /nfs/dbraw/zinc/25/72/68/584257268.db2.gz UCVNLTQKFQCAIT-NSHDSACASA-N 1 0 212.293 0.135 20 30 BCEDRO CON(C)C(=O)[C@@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000858587975 588969494 /nfs/dbraw/zinc/96/94/94/588969494.db2.gz ULHPRDAHXQMVET-KXUCPTDWSA-N 1 0 225.292 0.677 20 30 BCEDRO C#CCNC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000899975606 584262770 /nfs/dbraw/zinc/26/27/70/584262770.db2.gz NWCAFBNTORVHCU-GHMZBOCLSA-N 1 0 206.289 0.753 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)NCCC ZINC000900007205 584264082 /nfs/dbraw/zinc/26/40/82/584264082.db2.gz HJVSRKFARLFGGD-UHFFFAOYSA-N 1 0 241.335 0.137 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CC)CC#N ZINC000900361553 584295797 /nfs/dbraw/zinc/29/57/97/584295797.db2.gz PNPJIWNETGZXFY-UHFFFAOYSA-N 1 0 209.293 0.866 20 30 BCEDRO CN(CC#N)C(=O)[C@H]1CC[N@@H+]1C(C)(C)C ZINC000900450539 584312011 /nfs/dbraw/zinc/31/20/11/584312011.db2.gz AGKSYFHMKVZSPW-SECBINFHSA-N 1 0 209.293 0.841 20 30 BCEDRO C[NH2+][C@@H](C)c1cn(Cc2cc(C#N)ccn2)nn1 ZINC000900629183 584333544 /nfs/dbraw/zinc/33/35/44/584333544.db2.gz RHWNADCJRKCSHO-VIFPVBQESA-N 1 0 242.286 0.873 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C#N)C1CC1 ZINC000900636958 584334694 /nfs/dbraw/zinc/33/46/94/584334694.db2.gz BLOOSTXOGVGXCE-NSHDSACASA-N 1 0 221.304 0.913 20 30 BCEDRO C[C@H](C#N)CNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900648669 584335240 /nfs/dbraw/zinc/33/52/40/584335240.db2.gz IXGUTULTQXAPBG-ZYHUDNBSSA-N 1 0 239.319 0.109 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(OC)C1 ZINC000900670305 584339431 /nfs/dbraw/zinc/33/94/31/584339431.db2.gz FELBWUBRGYKMLC-UHFFFAOYSA-N 1 0 212.293 0.352 20 30 BCEDRO C=C(Cl)CNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900759638 584345952 /nfs/dbraw/zinc/34/59/52/584345952.db2.gz KYSQQFPJMZJNPI-NSHDSACASA-N 1 0 246.738 0.702 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900741046 584347762 /nfs/dbraw/zinc/34/77/62/584347762.db2.gz GELUIWDERNCNOG-YPMHNXCESA-N 1 0 240.347 0.914 20 30 BCEDRO C#CCCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900870659 584363734 /nfs/dbraw/zinc/36/37/34/584363734.db2.gz MWLUVRNOYCEVEV-UHFFFAOYSA-N 1 0 248.330 0.588 20 30 BCEDRO C#CCSCC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000900912878 584366075 /nfs/dbraw/zinc/36/60/75/584366075.db2.gz OVJFSNYKNCSSPF-NSHDSACASA-N 1 0 240.372 0.811 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CCO)COC ZINC000901093899 584384064 /nfs/dbraw/zinc/38/40/64/584384064.db2.gz AVSASKLNMPRABD-LLVKDONJSA-N 1 0 244.335 0.008 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CCO)COC ZINC000901093900 584384401 /nfs/dbraw/zinc/38/44/01/584384401.db2.gz AVSASKLNMPRABD-NSHDSACASA-N 1 0 244.335 0.008 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(C)(O)C1 ZINC000901147346 584390981 /nfs/dbraw/zinc/39/09/81/584390981.db2.gz GBDZOFFBFHXERT-UHFFFAOYSA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CC(C)=O ZINC000901170358 584395347 /nfs/dbraw/zinc/39/53/47/584395347.db2.gz APJYPSIAYFFWCF-JTQLQIEISA-N 1 0 226.320 0.978 20 30 BCEDRO C[C@@H]1CNC(NN=C2CC3(C2)CO[C@H](C)C3)=[NH+]1 ZINC000901216372 584401358 /nfs/dbraw/zinc/40/13/58/584401358.db2.gz QPRLQWYDJAYLMU-LSLJNABFSA-N 1 0 236.319 0.869 20 30 BCEDRO CCn1cnc(C=NNC2=[NH+]C[C@H](C)N2)c1 ZINC000901216929 584402020 /nfs/dbraw/zinc/40/20/20/584402020.db2.gz TYANGSFBXQYKCV-QMMMGPOBSA-N 1 0 220.280 0.174 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(C)CO ZINC000901218227 584402517 /nfs/dbraw/zinc/40/25/17/584402517.db2.gz PIIVCURWUFDPDC-UHFFFAOYSA-N 1 0 214.309 0.381 20 30 BCEDRO CC[C@H](O)CNN=C(C)c1c[nH]c(N)[nH+]1 ZINC000901238329 584405828 /nfs/dbraw/zinc/40/58/28/584405828.db2.gz BKZOAYWJTDVKAF-ZETCQYMHSA-N 1 0 211.269 0.076 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](O)[C@@H](CC)C1 ZINC000901242329 584406694 /nfs/dbraw/zinc/40/66/94/584406694.db2.gz QDSRSFOQZVRRQY-RYUDHWBXSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CO)C(C)C ZINC000901280343 584414831 /nfs/dbraw/zinc/41/48/31/584414831.db2.gz ZXRJBLXXKMCIJC-LLVKDONJSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCCCC(N)=O ZINC000901305636 584419938 /nfs/dbraw/zinc/41/99/38/584419938.db2.gz SCHFYHSGKNOOAT-UHFFFAOYSA-N 1 0 241.335 0.266 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1nc(OC)n[nH]1 ZINC000901288048 584422770 /nfs/dbraw/zinc/42/27/70/584422770.db2.gz RUZRYZNKXCEJQL-UHFFFAOYSA-N 1 0 239.279 0.260 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)Cc1ncon1 ZINC000901340915 584427667 /nfs/dbraw/zinc/42/76/67/584427667.db2.gz IFXJNFNUYWGHFZ-UHFFFAOYSA-N 1 0 238.291 0.536 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCOCC ZINC000901315369 584428543 /nfs/dbraw/zinc/42/85/43/584428543.db2.gz RVCQGVBWPUEDLQ-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO CC#CCCNC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901358055 584432056 /nfs/dbraw/zinc/43/20/56/584432056.db2.gz RVMDRSVZUPMKJR-CYBMUJFWSA-N 1 0 238.331 0.363 20 30 BCEDRO C=CCNC(NCCCn1cncn1)=[NH+]C ZINC000859001857 588989483 /nfs/dbraw/zinc/98/94/83/588989483.db2.gz CSAXONPHBIPMHD-UHFFFAOYSA-N 1 0 222.296 0.019 20 30 BCEDRO C[C@H](NCc1nc(C#N)cs1)C1C[NH2+]C1 ZINC000902445492 584598758 /nfs/dbraw/zinc/59/87/58/584598758.db2.gz MFCRPEZULQVHIA-ZETCQYMHSA-N 1 0 222.317 0.712 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)c2cc(C#N)cn2C)CC[N@@H+]1C ZINC000902927099 584697692 /nfs/dbraw/zinc/69/76/92/584697692.db2.gz FOQFZTHWATXHQO-ONGXEEELSA-N 1 0 246.314 0.719 20 30 BCEDRO C[C@H]1[C@H](NC(=O)c2c[nH]c(C#N)c2)CC[N@@H+]1C ZINC000902929321 584698484 /nfs/dbraw/zinc/69/84/84/584698484.db2.gz SHLOFEZIMOXQOC-GZMMTYOYSA-N 1 0 232.287 0.709 20 30 BCEDRO C#CCCOC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000859121296 589005657 /nfs/dbraw/zinc/00/56/57/589005657.db2.gz WZGLGNHWIIWHHY-NSHDSACASA-N 1 0 240.303 0.457 20 30 BCEDRO COC[C@H](O)C[NH2+][C@H](C)c1cc(C#N)ccn1 ZINC000902983464 584708647 /nfs/dbraw/zinc/70/86/47/584708647.db2.gz ZSGVRIWRQIZUCV-MWLCHTKSSA-N 1 0 235.287 0.611 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903132372 584730469 /nfs/dbraw/zinc/73/04/69/584730469.db2.gz PGSVKWILTFDAKI-AVGNSLFASA-N 1 0 241.331 0.709 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903147881 584732085 /nfs/dbraw/zinc/73/20/85/584732085.db2.gz TVTONSWPELEFMX-RYUDHWBXSA-N 1 0 227.304 0.727 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903147882 584732278 /nfs/dbraw/zinc/73/22/78/584732278.db2.gz TVTONSWPELEFMX-VXGBXAGGSA-N 1 0 227.304 0.727 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]C[C@@]1(CO)COCCN1C ZINC000903277973 584742532 /nfs/dbraw/zinc/74/25/32/584742532.db2.gz KEAWOPTVTKRWEO-CHWSQXEVSA-N 1 0 242.363 0.624 20 30 BCEDRO N#CC1CCC(CN2CCO[C@@H](C[NH3+])C2)CC1 ZINC000903449906 584771891 /nfs/dbraw/zinc/77/18/91/584771891.db2.gz XFZSOGUZGFODDR-BPCQOVAHSA-N 1 0 237.347 0.976 20 30 BCEDRO C=CCNC(=O)[C@H](C)N[C@@H]1CC[NH2+]C12CCC2 ZINC000903467399 584774487 /nfs/dbraw/zinc/77/44/87/584774487.db2.gz AYYJCNQQGUQIQM-WDEREUQCSA-N 1 0 237.347 0.551 20 30 BCEDRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccsc1C#N ZINC000903491356 584780890 /nfs/dbraw/zinc/78/08/90/584780890.db2.gz GBQWQMABWAPHHI-LURJTMIESA-N 1 0 245.329 0.245 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@@H]2C[C@H](F)C[NH2+]2)C1 ZINC000903564260 584782509 /nfs/dbraw/zinc/78/25/09/584782509.db2.gz SDPVCFRKZLUXDR-DCAQKATOSA-N 1 0 211.284 0.922 20 30 BCEDRO C[NH2+]C[C@@](C)(O)CN1CCC[C@H](C#N)C1 ZINC000903563521 584782585 /nfs/dbraw/zinc/78/25/85/584782585.db2.gz GKHSOFMJCUKPGP-GHMZBOCLSA-N 1 0 211.309 0.192 20 30 BCEDRO C=CCN1CC[C@@H](N2C[C@@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557429 584783043 /nfs/dbraw/zinc/78/30/43/584783043.db2.gz OHHPVKTYCPODQZ-GHMZBOCLSA-N 1 0 237.347 0.442 20 30 BCEDRO C[C@]1(C#N)CN(C[C@@H]2C[C@H](F)C[NH2+]2)CCO1 ZINC000903825364 584804655 /nfs/dbraw/zinc/80/46/55/584804655.db2.gz ZTYOHPCARLQWFF-DCAQKATOSA-N 1 0 227.283 0.301 20 30 BCEDRO C[C@]1(C#N)CN(C[C@H]2CC[NH2+]C2)CCO1 ZINC000903823243 584804683 /nfs/dbraw/zinc/80/46/83/584804683.db2.gz FCNRVIZHHVDILJ-QWRGUYRKSA-N 1 0 209.293 0.210 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)CC1(O)CCC1 ZINC000859156527 589010608 /nfs/dbraw/zinc/01/06/08/589010608.db2.gz RFSXLACBLISNLT-NSHDSACASA-N 1 0 211.305 0.608 20 30 BCEDRO C=CCC[C@H](O)CN1CC[NH2+]C[C@@H]1COC ZINC000903881022 584817081 /nfs/dbraw/zinc/81/70/81/584817081.db2.gz BARLYYSMBVYZCG-NEPJUHHUSA-N 1 0 228.336 0.234 20 30 BCEDRO C=CCN(C)Cc1cnnn1[C@H]1CCC[NH2+]C1 ZINC000903905672 584821156 /nfs/dbraw/zinc/82/11/56/584821156.db2.gz LJLNEIFQLZDABP-NSHDSACASA-N 1 0 235.335 0.820 20 30 BCEDRO C#C[C@H]1COCCN1C[C@H]([NH3+])CC(F)F ZINC000903929449 584824566 /nfs/dbraw/zinc/82/45/66/584824566.db2.gz GBKDLXSGIGAXFE-BDAKNGLRSA-N 1 0 218.247 0.303 20 30 BCEDRO C#CCCOC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000859166897 589012711 /nfs/dbraw/zinc/01/27/11/589012711.db2.gz PDLWRKGKFBQTLW-MNOVXSKESA-N 1 0 222.288 0.782 20 30 BCEDRO C#CCCOC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000859166896 589012824 /nfs/dbraw/zinc/01/28/24/589012824.db2.gz PDLWRKGKFBQTLW-GHMZBOCLSA-N 1 0 222.288 0.782 20 30 BCEDRO CCC(C#N)(CC)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801915 584887335 /nfs/dbraw/zinc/88/73/35/584887335.db2.gz KHQWHVKKSYOKQP-VHSXEESVSA-N 1 0 234.303 0.544 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000876916797 584887771 /nfs/dbraw/zinc/88/77/71/584887771.db2.gz GXGPGBAMRVFGJN-JTQLQIEISA-N 1 0 224.304 0.141 20 30 BCEDRO CC(C)(C)C#CC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000876980581 584888610 /nfs/dbraw/zinc/88/86/10/584888610.db2.gz JHUKBUUSJKORQJ-LBPRGKRZSA-N 1 0 208.305 0.904 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000730279223 584898773 /nfs/dbraw/zinc/89/87/73/584898773.db2.gz LZEHQHNDMKBIMS-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO C[C@@H](CO)N(C)N=C1CC[N@H+](C)[C@@H](C)C1 ZINC000842541398 584901825 /nfs/dbraw/zinc/90/18/25/584901825.db2.gz RIMNBQYOMRCOGV-UWVGGRQHSA-N 1 0 213.325 0.769 20 30 BCEDRO C#CCNC(=S)N[C@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000758240787 584905245 /nfs/dbraw/zinc/90/52/45/584905245.db2.gz GPXZADGGXJTZNY-ONGXEEELSA-N 1 0 237.372 0.566 20 30 BCEDRO C#CC1CC[NH+](C[C@H](O)COCCOC)CC1 ZINC000830351437 584908303 /nfs/dbraw/zinc/90/83/03/584908303.db2.gz SNGXEWRDFYKJPQ-ZDUSSCGKSA-N 1 0 241.331 0.356 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)CCC(=O)NC ZINC000888269656 584913010 /nfs/dbraw/zinc/91/30/10/584913010.db2.gz LDOWUFWCDZPLNX-UHFFFAOYSA-N 1 0 241.335 0.089 20 30 BCEDRO C=CCNC(=S)NC[C@H]1CCC[N@@H+](C)C1 ZINC000730954629 584920563 /nfs/dbraw/zinc/92/05/63/584920563.db2.gz FXVWWNBAHJDIFD-SNVBAGLBSA-N 1 0 227.377 0.978 20 30 BCEDRO CCN(CCc1ccccn1)CC(=O)NCC#N ZINC000731211975 584923626 /nfs/dbraw/zinc/92/36/26/584923626.db2.gz LRIMWYHLPSVMTF-UHFFFAOYSA-N 1 0 246.314 0.586 20 30 BCEDRO CC(C)[C@H](C(=O)Nc1cnn(CC#N)c1)[NH+](C)C ZINC000732065189 584933279 /nfs/dbraw/zinc/93/32/79/584933279.db2.gz UXKFFVJKFDQHMU-LLVKDONJSA-N 1 0 249.318 0.931 20 30 BCEDRO C=CC[N@@H+](CCC(=O)NCC(=O)OC)C(C)C ZINC000732197408 584934616 /nfs/dbraw/zinc/93/46/16/584934616.db2.gz HDTHIVABQXFPBX-UHFFFAOYSA-N 1 0 242.319 0.562 20 30 BCEDRO NC(=[NH2+])NN=Cc1nccn1Cc1ccccc1 ZINC000734092483 584957018 /nfs/dbraw/zinc/95/70/18/584957018.db2.gz PSHLYPLDHKUNAT-UHFFFAOYSA-N 1 0 242.286 0.748 20 30 BCEDRO CCc1nn(C)c(Cl)c1C=NNC(N)=[NH2+] ZINC000734744554 584967599 /nfs/dbraw/zinc/96/75/99/584967599.db2.gz SUCLVVSRWWTQLI-UHFFFAOYSA-N 1 0 228.687 0.453 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)CCSC ZINC000819088608 584999071 /nfs/dbraw/zinc/99/90/71/584999071.db2.gz VFHFWBMTYGAZCM-JTQLQIEISA-N 1 0 228.361 0.857 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)CCSC ZINC000819088609 584999278 /nfs/dbraw/zinc/99/92/78/584999278.db2.gz VFHFWBMTYGAZCM-SNVBAGLBSA-N 1 0 228.361 0.857 20 30 BCEDRO C#CCOCCC(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000755904195 584999374 /nfs/dbraw/zinc/99/93/74/584999374.db2.gz NKETZHAUYCBGKT-LBPRGKRZSA-N 1 0 240.347 0.729 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889221770 584999986 /nfs/dbraw/zinc/99/99/86/584999986.db2.gz RDZZLLUCNOLIMG-JTQLQIEISA-N 1 0 224.304 0.230 20 30 BCEDRO C[N@@H+](Cc1ccccc1)C[C@H](O)CNCCC#N ZINC000819270168 585000890 /nfs/dbraw/zinc/00/08/90/585000890.db2.gz UXWDSZHCYPITQK-CQSZACIVSA-N 1 0 247.342 0.983 20 30 BCEDRO C[C@@]1(O)CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886033048 585036509 /nfs/dbraw/zinc/03/65/09/585036509.db2.gz RAEHFEFHNOBTIP-NWDGAFQWSA-N 1 0 238.331 0.888 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)NCc1ccccc1 ZINC000841507147 585040841 /nfs/dbraw/zinc/04/08/41/585040841.db2.gz VVCQJICMOJFRTN-VXGBXAGGSA-N 1 0 244.298 0.597 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N1CC(C)(C)C1 ZINC000838623479 585063823 /nfs/dbraw/zinc/06/38/23/585063823.db2.gz DMSLUQNUILHXJX-UHFFFAOYSA-N 1 0 237.347 0.993 20 30 BCEDRO C=CCONC(=O)N[C@@H](C)CC[NH+](C)C ZINC000838703643 585065037 /nfs/dbraw/zinc/06/50/37/585065037.db2.gz MOMQGCHVWGIJOC-VIFPVBQESA-N 1 0 215.297 0.743 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2cnnn2CC)CC1 ZINC000838904358 585077686 /nfs/dbraw/zinc/07/76/86/585077686.db2.gz ILIGPSBIFIJVGW-UHFFFAOYSA-N 1 0 247.346 0.439 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1cn[nH]c1)[C@H]1CCCO1 ZINC000838935930 585081767 /nfs/dbraw/zinc/08/17/67/585081767.db2.gz IAUPJJVAQDLOPA-VXGBXAGGSA-N 1 0 219.288 0.723 20 30 BCEDRO C#CCNC(=O)CN1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000739926907 585086353 /nfs/dbraw/zinc/08/63/53/585086353.db2.gz NAFWAHRZYSYWOV-ZDUSSCGKSA-N 1 0 249.358 0.154 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCC(=O)N1CCCC1 ZINC000839031596 585088354 /nfs/dbraw/zinc/08/83/54/585088354.db2.gz JYLKSVJEQUPJJP-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[C@@H](NC1CC[NH+](CC)CC1)C(=O)OC ZINC000839169952 585096252 /nfs/dbraw/zinc/09/62/52/585096252.db2.gz WHVOQGTWTHUVHT-GFCCVEGCSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCSCCNC(=O)C[N@@H+](C)CCC ZINC000740147904 585096284 /nfs/dbraw/zinc/09/62/84/585096284.db2.gz GDNKTOJNISZEMA-UHFFFAOYSA-N 1 0 228.361 0.811 20 30 BCEDRO C=CCNC(=O)COC(=O)[C@H]1CCCCN1C ZINC000741145308 585110393 /nfs/dbraw/zinc/11/03/93/585110393.db2.gz RHEGRNRBRVZEON-SNVBAGLBSA-N 1 0 240.303 0.316 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccc(C)nn2)C1 ZINC000886209317 585112888 /nfs/dbraw/zinc/11/28/88/585112888.db2.gz KIEXOVDNCPDBSN-AWEZNQCLSA-N 1 0 244.342 0.972 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCOC2)C1 ZINC000886211445 585112893 /nfs/dbraw/zinc/11/28/93/585112893.db2.gz PIWXPUQACCGCFP-RYUDHWBXSA-N 1 0 208.305 0.463 20 30 BCEDRO C[C@H]1CC(=NN2CCN(C)CC2)CC[N@@H+]1C ZINC000741450785 585113965 /nfs/dbraw/zinc/11/39/65/585113965.db2.gz AVWKNSHQSDMQSG-NSHDSACASA-N 1 0 224.352 0.704 20 30 BCEDRO C#CCCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000743203450 585133986 /nfs/dbraw/zinc/13/39/86/585133986.db2.gz FGBWKTTXPCAXOA-UHFFFAOYSA-N 1 0 249.318 0.590 20 30 BCEDRO CC1(C)CC[N@H+](CC(=O)NCCC#N)C1 ZINC000743863134 585141188 /nfs/dbraw/zinc/14/11/88/585141188.db2.gz WERWTLLLMSRBOE-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCNC(=S)NCC[N@H+]1CC[C@@H](C)C1 ZINC000745180464 585157471 /nfs/dbraw/zinc/15/74/71/585157471.db2.gz CHSDIBJQOZMMMQ-SNVBAGLBSA-N 1 0 227.377 0.978 20 30 BCEDRO C=CCNC(=S)NCC[N@H+]1CC[C@H](C)C1 ZINC000745180463 585157715 /nfs/dbraw/zinc/15/77/15/585157715.db2.gz CHSDIBJQOZMMMQ-JTQLQIEISA-N 1 0 227.377 0.978 20 30 BCEDRO NC(=[NH2+])NN=C1CCOc2cc3c(cc21)OCO3 ZINC000745584379 585159845 /nfs/dbraw/zinc/15/98/45/585159845.db2.gz NZRGZUKKBVALNH-UHFFFAOYSA-N 1 0 248.242 0.385 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000745722618 585160555 /nfs/dbraw/zinc/16/05/55/585160555.db2.gz XRLZTFJFYLRBAR-CYBMUJFWSA-N 1 0 247.342 0.749 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000745821825 585161034 /nfs/dbraw/zinc/16/10/34/585161034.db2.gz APHGNIGPMVWOBR-NSHDSACASA-N 1 0 235.331 0.936 20 30 BCEDRO C=C(Cl)CNC(=O)CN1CC[NH+](CC)CC1 ZINC000746282613 585166959 /nfs/dbraw/zinc/16/69/59/585166959.db2.gz UUEWWERBNWFWJF-UHFFFAOYSA-N 1 0 245.754 0.493 20 30 BCEDRO C#CCC[NH+]1CCN([C@H](C)c2nnc(C)[nH]2)CC1 ZINC000839529790 585168413 /nfs/dbraw/zinc/16/84/13/585168413.db2.gz ZMUDDCCZBNMJIZ-LLVKDONJSA-N 1 0 247.346 0.815 20 30 BCEDRO C=C(C)CN1CCN(CC[S@@](C)=O)CC1 ZINC000746476903 585168540 /nfs/dbraw/zinc/16/85/40/585168540.db2.gz XHYKDFKLWLLQNZ-OAHLLOKOSA-N 1 0 230.377 0.559 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N(C)c1cn[nH]c1 ZINC000748394156 585192135 /nfs/dbraw/zinc/19/21/35/585192135.db2.gz DRJUMMGNXDEEHG-NSHDSACASA-N 1 0 232.287 0.470 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)Nc1cnn(CC#N)c1 ZINC000748733916 585195123 /nfs/dbraw/zinc/19/51/23/585195123.db2.gz XYEVLVOXBFUENS-UHFFFAOYSA-N 1 0 235.291 0.685 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000839530723 585199126 /nfs/dbraw/zinc/19/91/26/585199126.db2.gz DTVCMJLLVBGKEH-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C=CCC[NH+]1CCN(CCCCO)CC1 ZINC000750055504 585209998 /nfs/dbraw/zinc/20/99/98/585209998.db2.gz XMFVFPLFDQDMEA-UHFFFAOYSA-N 1 0 212.337 0.953 20 30 BCEDRO CNC(NC[C@@H](O)COc1ccccc1)=[NH+]C ZINC000750541986 585217092 /nfs/dbraw/zinc/21/70/92/585217092.db2.gz KZWNMQJWGRIOEP-SNVBAGLBSA-N 1 0 237.303 0.221 20 30 BCEDRO CNC(NCCCN1CCCCCC1=O)=[NH+]C ZINC000750542534 585217274 /nfs/dbraw/zinc/21/72/74/585217274.db2.gz MFKWEQXIYYRMHZ-UHFFFAOYSA-N 1 0 240.351 0.574 20 30 BCEDRO CCOC(=O)C1CCC(N=NC(N)=[NH2+])CC1 ZINC000750912948 585221920 /nfs/dbraw/zinc/22/19/20/585221920.db2.gz SVPYNPVKKXVBSM-UHFFFAOYSA-N 1 0 226.280 0.579 20 30 BCEDRO Cn1nncc1C=NNCC[NH+]1CCCCC1 ZINC000751130019 585224628 /nfs/dbraw/zinc/22/46/28/585224628.db2.gz AQOZCUPGXWZJFB-UHFFFAOYSA-N 1 0 236.323 0.225 20 30 BCEDRO C[C@@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCCC#N ZINC000752092187 585242351 /nfs/dbraw/zinc/24/23/51/585242351.db2.gz LVWWALSUZSJWEH-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ncnc2[nH]cnc21 ZINC000752164443 585243254 /nfs/dbraw/zinc/24/32/54/585243254.db2.gz LSCRJXYXFQMRQN-SSDOTTSWSA-N 1 0 245.290 0.702 20 30 BCEDRO C#CCCCCNC(=O)NCC[NH+]1CCC1 ZINC000752687173 585248636 /nfs/dbraw/zinc/24/86/36/585248636.db2.gz IBKFLNFVRNJAJC-UHFFFAOYSA-N 1 0 223.320 0.795 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N1CC(F)C1 ZINC000753070788 585253042 /nfs/dbraw/zinc/25/30/42/585253042.db2.gz CNXQVUKAUYIKSI-JTQLQIEISA-N 1 0 210.252 0.264 20 30 BCEDRO C#CC(=O)NC[C@@H]1C[N@H+](CC(C)C)CCO1 ZINC000753903072 585271896 /nfs/dbraw/zinc/27/18/96/585271896.db2.gz UGFLHBRTGWCPGP-LLVKDONJSA-N 1 0 224.304 0.093 20 30 BCEDRO Cn1nncc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753935033 585272613 /nfs/dbraw/zinc/27/26/13/585272613.db2.gz MDYCGLUMYLDRKM-NXEZZACHSA-N 1 0 247.306 0.009 20 30 BCEDRO C#CC(=O)NC1CC[NH+](CCOC(C)C)CC1 ZINC000754061572 585276844 /nfs/dbraw/zinc/27/68/44/585276844.db2.gz XBUZSMCQRBURMV-UHFFFAOYSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000754110274 585278594 /nfs/dbraw/zinc/27/85/94/585278594.db2.gz YUZVIMDXYJIXEB-SNVBAGLBSA-N 1 0 230.333 0.153 20 30 BCEDRO CNC(=S)NN=C1C[N@@H+](C(C)C)C[C@@H]1C ZINC000754253871 585281359 /nfs/dbraw/zinc/28/13/59/585281359.db2.gz HXTVWOJHYHWLLG-QMMMGPOBSA-N 1 0 228.365 0.796 20 30 BCEDRO C#CCOCCC(=O)N[C@H](C)Cn1ccnc1 ZINC000755525186 585301321 /nfs/dbraw/zinc/30/13/21/585301321.db2.gz RKNKVHLNBNQOBJ-LLVKDONJSA-N 1 0 235.287 0.428 20 30 BCEDRO C#CCOCCC(=O)OC[C@@H]1CCC[N@@H+]1CC#C ZINC000756541500 585320899 /nfs/dbraw/zinc/32/08/99/585320899.db2.gz HXBYTWPPTBVJAR-ZDUSSCGKSA-N 1 0 249.310 0.667 20 30 BCEDRO C#CCOCCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000756810940 585323657 /nfs/dbraw/zinc/32/36/57/585323657.db2.gz YDHUAIWBDJBYLS-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C=C(C)[C@H](CO)N1CCN(C(=O)OC)CC1 ZINC000757649525 585343651 /nfs/dbraw/zinc/34/36/51/585343651.db2.gz IZIQLJCZKTWQGI-JTQLQIEISA-N 1 0 228.292 0.307 20 30 BCEDRO COCC#CCN1CCN(C(=O)OC)CC1 ZINC000757649388 585343672 /nfs/dbraw/zinc/34/36/72/585343672.db2.gz HXMIIUXRTFQXKY-UHFFFAOYSA-N 1 0 226.276 0.020 20 30 BCEDRO C#CCNC(=S)NCCC[NH+](CC)CC ZINC000758173837 585350903 /nfs/dbraw/zinc/35/09/03/585350903.db2.gz XNFQENCYNDSNAT-UHFFFAOYSA-N 1 0 227.377 0.816 20 30 BCEDRO C#CCNC(=S)NCCC[N@@H+](C)CCOC ZINC000758189002 585351363 /nfs/dbraw/zinc/35/13/63/585351363.db2.gz JFBXZUCUGCOADQ-UHFFFAOYSA-N 1 0 243.376 0.052 20 30 BCEDRO C#CCNC(=S)NCCC[N@@H+](C)C(C)C ZINC000758193322 585351490 /nfs/dbraw/zinc/35/14/90/585351490.db2.gz WSOAIHHPNASGFH-UHFFFAOYSA-N 1 0 227.377 0.814 20 30 BCEDRO C#CCNC(=S)N[C@H]1CCC[N@@H+](C)C1 ZINC000758209472 585351894 /nfs/dbraw/zinc/35/18/94/585351894.db2.gz LFXXZYVGOHZJCP-VIFPVBQESA-N 1 0 211.334 0.178 20 30 BCEDRO CN(Cn1cccc(C#N)c1=O)[C@H]1CCOC1 ZINC000758222444 585352266 /nfs/dbraw/zinc/35/22/66/585352266.db2.gz DYTUBGIKLRZQHQ-NSHDSACASA-N 1 0 233.271 0.398 20 30 BCEDRO C#CCNC(=S)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000758230761 585352597 /nfs/dbraw/zinc/35/25/97/585352597.db2.gz QSYXZCWBBQHTLH-LLVKDONJSA-N 1 0 237.372 0.663 20 30 BCEDRO C#CCNC(=S)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000758248215 585353010 /nfs/dbraw/zinc/35/30/10/585353010.db2.gz UOSRUYWQPXQIGD-UWVGGRQHSA-N 1 0 225.361 0.566 20 30 BCEDRO C#CCCCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000758886673 585361062 /nfs/dbraw/zinc/36/10/62/585361062.db2.gz CNDRQMIPXQBWBM-UHFFFAOYSA-N 1 0 233.315 0.894 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000759722478 585379267 /nfs/dbraw/zinc/37/92/67/585379267.db2.gz MFSDOBFGJFSTHB-LLVKDONJSA-N 1 0 244.294 0.198 20 30 BCEDRO C[C@H](C(=O)O[C@@H](C)C#N)N1CCSCC1 ZINC000759808271 585380642 /nfs/dbraw/zinc/38/06/42/585380642.db2.gz FESKLVJTBJPYSB-DTWKUNHWSA-N 1 0 228.317 0.879 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCCNC(=O)C1 ZINC000760830572 585398252 /nfs/dbraw/zinc/39/82/52/585398252.db2.gz IJQBINJNGMJGGG-JTQLQIEISA-N 1 0 212.293 0.135 20 30 BCEDRO C#CCCN1CC[NH+](C2CCOCC2)CC1 ZINC000760841943 585399290 /nfs/dbraw/zinc/39/92/90/585399290.db2.gz DEFYPCIFTRHVSW-UHFFFAOYSA-N 1 0 222.332 0.806 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC2(CCOC2)CC1 ZINC000761059738 585404549 /nfs/dbraw/zinc/40/45/49/585404549.db2.gz QQUGBNIDMYBEIO-UHFFFAOYSA-N 1 0 236.315 0.238 20 30 BCEDRO C#CCC[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000761106119 585409982 /nfs/dbraw/zinc/40/99/82/585409982.db2.gz SXGWSUOISXGZAB-UHFFFAOYSA-N 1 0 235.287 0.026 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000761109882 585410189 /nfs/dbraw/zinc/41/01/89/585410189.db2.gz PXZCLOLYLXSNQI-DTWKUNHWSA-N 1 0 230.258 0.711 20 30 BCEDRO C[C@@H]1CC(N=Nc2nccn(C)c2=O)C[N@@H+]1C ZINC000761810981 585419390 /nfs/dbraw/zinc/41/93/90/585419390.db2.gz ANIADWKHPDGUOK-MRVPVSSYSA-N 1 0 235.291 0.272 20 30 BCEDRO COCC#CC[NH+]1CCC(OC(C)=O)CC1 ZINC000762927761 585439663 /nfs/dbraw/zinc/43/96/63/585439663.db2.gz VVMHKQJKVGBYTJ-UHFFFAOYSA-N 1 0 225.288 0.664 20 30 BCEDRO C#CCN1CCN(C(=O)C2([NH+](C)C)CCC2)CC1 ZINC000763015870 585441337 /nfs/dbraw/zinc/44/13/37/585441337.db2.gz JYOMVXIRTRLXSC-UHFFFAOYSA-N 1 0 249.358 0.248 20 30 BCEDRO C[C@H]([NH2+][C@@H](CO)C1CC1)C(=O)N(C)CCC#N ZINC000763066218 585442768 /nfs/dbraw/zinc/44/27/68/585442768.db2.gz IHKCEZNGXRKULQ-ONGXEEELSA-N 1 0 239.319 0.107 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCCn1ccnc1 ZINC000763898531 585456529 /nfs/dbraw/zinc/45/65/29/585456529.db2.gz BPAHQIZLBQBBID-UHFFFAOYSA-N 1 0 236.319 0.507 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc(C(N)=O)cc1 ZINC000763899241 585456560 /nfs/dbraw/zinc/45/65/60/585456560.db2.gz PRABJUPGZXDGAP-UHFFFAOYSA-N 1 0 247.298 0.842 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCCC(=O)OC ZINC000763973818 585457956 /nfs/dbraw/zinc/45/79/56/585457956.db2.gz SLUDSUPKRUNJOS-UHFFFAOYSA-N 1 0 228.292 0.174 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1cccc(C(N)=O)c1 ZINC000763988468 585458242 /nfs/dbraw/zinc/45/82/42/585458242.db2.gz PFRAQATVPFLXHA-UHFFFAOYSA-N 1 0 247.298 0.842 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC(C)(C)C(=O)OC ZINC000764226987 585461833 /nfs/dbraw/zinc/46/18/33/585461833.db2.gz BZLAUECDWODLEC-UHFFFAOYSA-N 1 0 228.292 0.172 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCC(=O)NC(C)C ZINC000764310369 585463551 /nfs/dbraw/zinc/46/35/51/585463551.db2.gz KNIOMMYLRGQQHW-UHFFFAOYSA-N 1 0 241.335 0.135 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCOCC ZINC000764348094 585464001 /nfs/dbraw/zinc/46/40/01/585464001.db2.gz SCYIIWPUYJRCBH-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO CC#CC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000764470440 585465870 /nfs/dbraw/zinc/46/58/70/585465870.db2.gz IRTDARADCKAIBV-LLVKDONJSA-N 1 0 206.289 0.706 20 30 BCEDRO C#CCN(CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000764514246 585467241 /nfs/dbraw/zinc/46/72/41/585467241.db2.gz JOGLGLKFYYYJJK-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)Cc1cnccn1 ZINC000764540198 585467666 /nfs/dbraw/zinc/46/76/66/585467666.db2.gz MEZMYLDMSNNDMO-UHFFFAOYSA-N 1 0 234.303 0.553 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000764576572 585468061 /nfs/dbraw/zinc/46/80/61/585468061.db2.gz RXWBJKGRPPZUFE-LBPRGKRZSA-N 1 0 239.363 0.657 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cccc(CO)c1 ZINC000764611812 585468866 /nfs/dbraw/zinc/46/88/66/585468866.db2.gz WNSSHXZMTLXARU-UHFFFAOYSA-N 1 0 248.326 0.913 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H](CO)SC ZINC000764631317 585469392 /nfs/dbraw/zinc/46/93/92/585469392.db2.gz JROUKPXKFCQVQE-VHSXEESVSA-N 1 0 246.376 0.333 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CO)CC(C)C ZINC000764628050 585469456 /nfs/dbraw/zinc/46/94/56/585469456.db2.gz USSXMRNFSXXWQK-NSHDSACASA-N 1 0 228.336 0.627 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CCC[N@@H+](C)C1)C1CC1 ZINC000764683777 585470841 /nfs/dbraw/zinc/47/08/41/585470841.db2.gz KEXHSCXHZSXJGO-LLVKDONJSA-N 1 0 235.331 0.888 20 30 BCEDRO Cn1ccnc(N=NCc2cccnc2N)c1=O ZINC000764700060 585471320 /nfs/dbraw/zinc/47/13/20/585471320.db2.gz TYLJXXVAWIPCGJ-UHFFFAOYSA-N 1 0 244.258 0.204 20 30 BCEDRO C#Cc1ccc(C(=O)N2CC([NH+](C)C)C2)cn1 ZINC000765390421 585485112 /nfs/dbraw/zinc/48/51/12/585485112.db2.gz NUSOJNLHKGYRBF-UHFFFAOYSA-N 1 0 229.283 0.449 20 30 BCEDRO C=CCNC(=S)NN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000765552902 585489715 /nfs/dbraw/zinc/48/97/15/585489715.db2.gz GKGVZZUVQGBJJP-JTQLQIEISA-N 1 0 238.360 0.861 20 30 BCEDRO CN(C)C(=S)NN=C1CC[N@@H+]2CCC[C@H]12 ZINC000765574564 585489938 /nfs/dbraw/zinc/48/99/38/585489938.db2.gz CEATYOWEPOYLQW-SECBINFHSA-N 1 0 226.349 0.647 20 30 BCEDRO CON=CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000805335753 585508565 /nfs/dbraw/zinc/50/85/65/585508565.db2.gz YTSQRNIBQJAZDS-GHMZBOCLSA-N 1 0 239.319 0.704 20 30 BCEDRO C#CCCC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000766905245 585510950 /nfs/dbraw/zinc/51/09/50/585510950.db2.gz IMDCOIHZVIOOTA-CYBMUJFWSA-N 1 0 240.347 0.025 20 30 BCEDRO C#CCCC[N@H+]1CCN(C(C)=O)C[C@H]1C ZINC000766905922 585511320 /nfs/dbraw/zinc/51/13/20/585511320.db2.gz NAYJXJOGEMBLIG-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000766915277 585511460 /nfs/dbraw/zinc/51/14/60/585511460.db2.gz BRTVHRCAZUALTE-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO C#CCCC[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000767032504 585512806 /nfs/dbraw/zinc/51/28/06/585512806.db2.gz XYBRVGMODHICIH-RYUDHWBXSA-N 1 0 211.305 0.872 20 30 BCEDRO CC(C)C[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000767371711 585517998 /nfs/dbraw/zinc/51/79/98/585517998.db2.gz YKNKJALALWFVIS-VAWYXSNFSA-N 1 0 237.303 0.758 20 30 BCEDRO COC(=O)c1ccc(C(C)=NNC(N)=[NH2+])cc1 ZINC000767743408 585525271 /nfs/dbraw/zinc/52/52/71/585525271.db2.gz JKIAZLZBNZCMNM-UHFFFAOYSA-N 1 0 234.259 0.680 20 30 BCEDRO C#CCC(C)(C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000768444854 585538856 /nfs/dbraw/zinc/53/88/56/585538856.db2.gz ALSPNMIHICQFHE-ZDUSSCGKSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCOCCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000768845378 585544661 /nfs/dbraw/zinc/54/46/61/585544661.db2.gz HZQBAVVAVMRFEM-VXGBXAGGSA-N 1 0 238.331 0.577 20 30 BCEDRO Cn1cc(C=NNC(N)=[NH2+])c(-c2cccs2)n1 ZINC000769570887 585559640 /nfs/dbraw/zinc/55/96/40/585559640.db2.gz XVSYSMDCECHIMM-UHFFFAOYSA-N 1 0 248.315 0.966 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)c1cccc(O)c1 ZINC000769905660 585566044 /nfs/dbraw/zinc/56/60/44/585566044.db2.gz XGJQPATXRHTQPG-JTQLQIEISA-N 1 0 232.283 0.792 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000769962619 585567840 /nfs/dbraw/zinc/56/78/40/585567840.db2.gz GLMXGPBFOWKUGY-SNVBAGLBSA-N 1 0 204.273 0.839 20 30 BCEDRO C#CCCNC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000770015090 585569328 /nfs/dbraw/zinc/56/93/28/585569328.db2.gz HMGXMIZPZUBCBK-WDEREUQCSA-N 1 0 239.319 0.028 20 30 BCEDRO C#CCCNC(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000770015083 585569362 /nfs/dbraw/zinc/56/93/62/585569362.db2.gz HMGXMIZPZUBCBK-GHMZBOCLSA-N 1 0 239.319 0.028 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)nc1 ZINC000805427641 585592220 /nfs/dbraw/zinc/59/22/20/585592220.db2.gz IKFJVVKKNMHWGG-JTQLQIEISA-N 1 0 231.299 0.743 20 30 BCEDRO C[C@@H]1[C@H](C)N(CC(=O)NCCC#N)CC[N@H+]1C ZINC000771463833 585594284 /nfs/dbraw/zinc/59/42/84/585594284.db2.gz ZRPZJBJXUJAMEJ-MNOVXSKESA-N 1 0 238.335 0.041 20 30 BCEDRO C=CCN(CC(=O)N1CCO[C@@H](C)C1)C1CC1 ZINC000772380188 585613529 /nfs/dbraw/zinc/61/35/29/585613529.db2.gz DKHUSYXRFZHCBC-NSHDSACASA-N 1 0 238.331 0.884 20 30 BCEDRO N#Cc1ccc(C=NNC(N)=[NH2+])c(F)c1 ZINC000772841576 585625150 /nfs/dbraw/zinc/62/51/50/585625150.db2.gz RQDYHKQYVDPTON-UHFFFAOYSA-N 1 0 205.196 0.514 20 30 BCEDRO C#C[C@H](NC(=O)[C@H]1CC[N@@H+](C)C1)[C@H]1CCCO1 ZINC000772882413 585626310 /nfs/dbraw/zinc/62/63/10/585626310.db2.gz WIQIUICBWHGDAW-SDDRHHMPSA-N 1 0 236.315 0.235 20 30 BCEDRO C#C[C@@H](C)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000772972359 585628565 /nfs/dbraw/zinc/62/85/65/585628565.db2.gz GKQMMOBSRBGAQI-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C[C@@H](O)c1ncc(C=NNC(N)=[NH2+])s1 ZINC000773035635 585629868 /nfs/dbraw/zinc/62/98/68/585629868.db2.gz URQOPDINGCQVKA-SCSAIBSYSA-N 1 0 213.266 0.013 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000773596314 585641409 /nfs/dbraw/zinc/64/14/09/585641409.db2.gz AYEDJZBCSVQBND-AXFHLTTASA-N 1 0 223.320 0.790 20 30 BCEDRO CON=CC(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000773831451 585644548 /nfs/dbraw/zinc/64/45/48/585644548.db2.gz URGDUEZQYJEXPS-SNVBAGLBSA-N 1 0 227.308 0.467 20 30 BCEDRO CON=CC(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000773852755 585644903 /nfs/dbraw/zinc/64/49/03/585644903.db2.gz IAXRLLXCWKZVGM-NSHDSACASA-N 1 0 241.335 0.857 20 30 BCEDRO CON=CC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000773876727 585645629 /nfs/dbraw/zinc/64/56/29/585645629.db2.gz BPQSXKNEBYUXTH-LLVKDONJSA-N 1 0 239.319 0.705 20 30 BCEDRO CON=CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000773905222 585646282 /nfs/dbraw/zinc/64/62/82/585646282.db2.gz BQVFJRZGXLLTOC-JTQLQIEISA-N 1 0 225.292 0.315 20 30 BCEDRO CC[N@H+](CCNC(=O)C=NOC)C1CC1 ZINC000773927339 585646399 /nfs/dbraw/zinc/64/63/99/585646399.db2.gz APOMCKMXJWQGJM-UHFFFAOYSA-N 1 0 213.281 0.219 20 30 BCEDRO CON=CC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000773921636 585646546 /nfs/dbraw/zinc/64/65/46/585646546.db2.gz JBWBFXXNLARXLR-QMMMGPOBSA-N 1 0 213.281 0.218 20 30 BCEDRO C#CCC[N@@H+]1C[C@H](OCCOC)C[C@H](CO)C1 ZINC000773965815 585647472 /nfs/dbraw/zinc/64/74/72/585647472.db2.gz UTNSYYHNHUUKRF-QWHCGFSZSA-N 1 0 241.331 0.356 20 30 BCEDRO CC[NH+]1CCC(CCNC(=O)C=NOC)CC1 ZINC000774001311 585648038 /nfs/dbraw/zinc/64/80/38/585648038.db2.gz FLFPLEIUSVKFBC-UHFFFAOYSA-N 1 0 241.335 0.857 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1ccnn1C ZINC000774158492 585652271 /nfs/dbraw/zinc/65/22/71/585652271.db2.gz NFMAIRJXIOKUIN-JTQLQIEISA-N 1 0 234.303 0.210 20 30 BCEDRO CON=CC(=O)NCC[NH+](C(C)C)C(C)C ZINC000774320514 585656283 /nfs/dbraw/zinc/65/62/83/585656283.db2.gz XSNLGZMLWHBBTR-UHFFFAOYSA-N 1 0 229.324 0.854 20 30 BCEDRO CON=CC(=O)NCC[NH+]1CCCCCC1 ZINC000774358319 585657058 /nfs/dbraw/zinc/65/70/58/585657058.db2.gz QMRUOCDYZJOYQB-UHFFFAOYSA-N 1 0 227.308 0.611 20 30 BCEDRO CON=CC(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000774409655 585657395 /nfs/dbraw/zinc/65/73/95/585657395.db2.gz OTVCAORVSROYLK-NSHDSACASA-N 1 0 241.335 0.855 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](COC)c1ccccc1 ZINC000775306650 585675207 /nfs/dbraw/zinc/67/52/07/585675207.db2.gz YTRHEFIYCRJOGC-ZDUSSCGKSA-N 1 0 246.310 0.713 20 30 BCEDRO C#C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@@H]1CCCO1 ZINC000775325694 585675258 /nfs/dbraw/zinc/67/52/58/585675258.db2.gz UGMXJZMRDDEEEL-DCAQKATOSA-N 1 0 224.304 0.234 20 30 BCEDRO C#C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@@H]1CCCO1 ZINC000775353046 585676317 /nfs/dbraw/zinc/67/63/17/585676317.db2.gz ZNPBMQAHIUPPNK-TUAOUCFPSA-N 1 0 238.331 0.624 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1cnn(C)c1C)[C@H]1CCCO1 ZINC000775352957 585676597 /nfs/dbraw/zinc/67/65/97/585676597.db2.gz YTYGBVQTPSDVKR-CHWSQXEVSA-N 1 0 233.315 0.999 20 30 BCEDRO C#C[C@@H](C)NC(=O)CCN1CC[NH+](CC)CC1 ZINC000775382751 585676798 /nfs/dbraw/zinc/67/67/98/585676798.db2.gz YPKKLFFENGBVHO-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO C#C[C@H]([NH2+]CC[C@H]1CCOC1=O)[C@@H]1CCCO1 ZINC000775795634 585685029 /nfs/dbraw/zinc/68/50/29/585685029.db2.gz OOCCDQROZJAGNQ-SRVKXCTJSA-N 1 0 237.299 0.710 20 30 BCEDRO C#C[C@H]([NH2+]C/C=C(/C)C(=O)OC)[C@@H]1CCCO1 ZINC000775797843 585685070 /nfs/dbraw/zinc/68/50/70/585685070.db2.gz GCYKJLPHDOBDGK-XHXQXFLYSA-N 1 0 237.299 0.876 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)C(=O)NCCC)[C@H]1CCCO1 ZINC000775794291 585685089 /nfs/dbraw/zinc/68/50/89/585685089.db2.gz ZRASPCQJROLKFZ-GRYCIOLGSA-N 1 0 238.331 0.672 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)NCC=C)[C@@H]1CCCO1 ZINC000775801413 585685097 /nfs/dbraw/zinc/68/50/97/585685097.db2.gz XSIXOPRMMWFJTP-SRVKXCTJSA-N 1 0 236.315 0.448 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)COC(C)C)[C@@H]1CCCO1 ZINC000775799763 585685244 /nfs/dbraw/zinc/68/52/44/585685244.db2.gz MKOPZQSXJQNHJX-AVGNSLFASA-N 1 0 241.331 0.543 20 30 BCEDRO C#C[C@H]([NH2+]CC1(O)CCOCC1)[C@@H]1CCCO1 ZINC000775794860 585685337 /nfs/dbraw/zinc/68/53/37/585685337.db2.gz KXEFQEKHTFISHF-RYUDHWBXSA-N 1 0 239.315 0.298 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCCN(C)C1=O)[C@H]1CCCO1 ZINC000775801196 585685432 /nfs/dbraw/zinc/68/54/32/585685432.db2.gz WRJORBDMMWAUDM-QJPTWQEYSA-N 1 0 236.315 0.378 20 30 BCEDRO C#CCC[N@@H+]1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000776002117 585689379 /nfs/dbraw/zinc/68/93/79/585689379.db2.gz SEENIKSVJRLUCP-MNOVXSKESA-N 1 0 212.362 0.987 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CC)C1CCOCC1 ZINC000776030811 585689573 /nfs/dbraw/zinc/68/95/73/585689573.db2.gz XQDYBCIARLLLAP-GFCCVEGCSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000776222367 585693458 /nfs/dbraw/zinc/69/34/58/585693458.db2.gz DWEQLRIYNVDROW-UHFFFAOYSA-N 1 0 249.314 0.510 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2nccc(C)n2)CC1 ZINC000776594082 585702092 /nfs/dbraw/zinc/70/20/92/585702092.db2.gz TZVIABJIOHDPRA-UHFFFAOYSA-N 1 0 244.342 0.926 20 30 BCEDRO C#CCC[NH+]1CCN(CCCNC(C)=O)CC1 ZINC000776593415 585702306 /nfs/dbraw/zinc/70/23/06/585702306.db2.gz WOTUWNGFUIXCJS-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO C#CCC[NH+]1CCN(CCC(=O)NCC)CC1 ZINC000776594271 585702428 /nfs/dbraw/zinc/70/24/28/585702428.db2.gz BJQOJOSTGYPIMC-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](CO)C2CC2)CC1 ZINC000859250481 589024735 /nfs/dbraw/zinc/02/47/35/589024735.db2.gz KNZNKMGVTGIEFB-QWRGUYRKSA-N 1 0 224.304 0.402 20 30 BCEDRO C[C@@H]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)=NO1 ZINC000777434762 585711902 /nfs/dbraw/zinc/71/19/02/585711902.db2.gz AWIUFANKBMGCNR-SFYZADRCSA-N 1 0 211.265 0.319 20 30 BCEDRO COC[C@@H](C)NN=C1CC[N@@H+]2CCC[C@H]12 ZINC000777894049 585722543 /nfs/dbraw/zinc/72/25/43/585722543.db2.gz FMHHGBLIHPLDRQ-MWLCHTKSSA-N 1 0 211.309 0.835 20 30 BCEDRO C=CCOCCNC(=S)NCCC[NH+](C)C ZINC000779733974 585760193 /nfs/dbraw/zinc/76/01/93/585760193.db2.gz YDZHEPQRPQHTGU-UHFFFAOYSA-N 1 0 245.392 0.605 20 30 BCEDRO CO[C@@H]1CCCCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000779793654 585763510 /nfs/dbraw/zinc/76/35/10/585763510.db2.gz WEFDXAMEASKERS-WCBMZHEXSA-N 1 0 224.308 0.869 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2CCc3c2cccc3O)N1 ZINC000779791192 585763657 /nfs/dbraw/zinc/76/36/57/585763657.db2.gz GYVKQBSRABFBEC-MRVPVSSYSA-N 1 0 244.298 0.980 20 30 BCEDRO Cc1noc(C)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779792318 585763720 /nfs/dbraw/zinc/76/37/20/585763720.db2.gz LEOZINWFHBJJSJ-LURJTMIESA-N 1 0 221.264 0.563 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cccnc2)N1 ZINC000779792806 585764175 /nfs/dbraw/zinc/76/41/75/585764175.db2.gz PKMCRKOFYBNKSK-MRVPVSSYSA-N 1 0 203.249 0.353 20 30 BCEDRO Cc1ncc(C=NNC2=[NH+]C[C@H](C)N2)s1 ZINC000779795498 585764251 /nfs/dbraw/zinc/76/42/51/585764251.db2.gz VBSZPPRAMOYVMK-LURJTMIESA-N 1 0 223.305 0.723 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cnn(C)c1 ZINC000779794187 585764289 /nfs/dbraw/zinc/76/42/89/585764289.db2.gz DKCCEAGNTBBEJZ-SSDOTTSWSA-N 1 0 220.280 0.081 20 30 BCEDRO CC(C[C@@H]1CCOC1)=NNC1=[NH+][C@@H](C)CN1 ZINC000779794340 585764367 /nfs/dbraw/zinc/76/43/67/585764367.db2.gz GTPAVVWPMQYCSS-UWVGGRQHSA-N 1 0 224.308 0.726 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cnn(C)c1 ZINC000779794189 585764392 /nfs/dbraw/zinc/76/43/92/585764392.db2.gz DKCCEAGNTBBEJZ-ZETCQYMHSA-N 1 0 220.280 0.081 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccccc2)N1 ZINC000779803411 585764976 /nfs/dbraw/zinc/76/49/76/585764976.db2.gz QXZHJZMZGPKUAT-VIFPVBQESA-N 1 0 202.261 0.958 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000780243858 585774716 /nfs/dbraw/zinc/77/47/16/585774716.db2.gz YUWMBBQMEMUZHW-MRVPVSSYSA-N 1 0 233.275 0.361 20 30 BCEDRO CC#CC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000781994460 585806313 /nfs/dbraw/zinc/80/63/13/585806313.db2.gz PXLLJXMZBHXTKY-UHFFFAOYSA-N 1 0 208.261 0.584 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000782051771 585807440 /nfs/dbraw/zinc/80/74/40/585807440.db2.gz CZJVOIKIGWBAOI-LBPRGKRZSA-N 1 0 232.283 0.059 20 30 BCEDRO Cc1nc(F)ccc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000782267409 585813482 /nfs/dbraw/zinc/81/34/82/585813482.db2.gz HUOSOCRRCZMBPA-ZETCQYMHSA-N 1 0 235.266 0.800 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000782529920 585819518 /nfs/dbraw/zinc/81/95/18/585819518.db2.gz CVBAVAQWWVENQB-AWEZNQCLSA-N 1 0 243.310 0.872 20 30 BCEDRO C#CCOCCNC(=S)NCCC[NH+](C)C ZINC000783778434 585843077 /nfs/dbraw/zinc/84/30/77/585843077.db2.gz ZEKMBSXVNAZOKP-UHFFFAOYSA-N 1 0 243.376 0.052 20 30 BCEDRO COC1CCC(=NNC2=[NH+][C@@H](C)CN2)CC1 ZINC000783864490 585845061 /nfs/dbraw/zinc/84/50/61/585845061.db2.gz WNXFYBSDIOWHQK-PEHGTWAWSA-N 1 0 224.308 0.869 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@H]1CCCO1 ZINC000783861299 585845095 /nfs/dbraw/zinc/84/50/95/585845095.db2.gz DJZAFCIGNXQQEM-IONNQARKSA-N 1 0 210.281 0.479 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC2(COC(=O)N2)CC1 ZINC000784457252 585860617 /nfs/dbraw/zinc/86/06/17/585860617.db2.gz KEKWIOGCCRQUBZ-JTQLQIEISA-N 1 0 240.303 0.498 20 30 BCEDRO CCOC1CC([N@H+](C)CC(=O)NCCC#N)C1 ZINC000805819794 585897857 /nfs/dbraw/zinc/89/78/57/585897857.db2.gz ZHSBBFUBVCZEJM-UHFFFAOYSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCC[NH+]1CCN(CCOCC(F)F)CC1 ZINC000787272472 585904214 /nfs/dbraw/zinc/90/42/14/585904214.db2.gz SUUOCTKMZFQCPP-UHFFFAOYSA-N 1 0 246.301 0.909 20 30 BCEDRO C#CCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000787332735 585907351 /nfs/dbraw/zinc/90/73/51/585907351.db2.gz VOXUVNZFTOSUKT-TUAOUCFPSA-N 1 0 220.316 0.986 20 30 BCEDRO N#CCCNC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000787371496 585908109 /nfs/dbraw/zinc/90/81/09/585908109.db2.gz KXMFJHNUFASOPF-NSHDSACASA-N 1 0 236.319 0.780 20 30 BCEDRO C#C[C@H](C)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000787535357 585911302 /nfs/dbraw/zinc/91/13/02/585911302.db2.gz XRHHOWGDTPQKCI-JTQLQIEISA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[N@@H+]1CCC[C@H](N2CCOCC2)CC1 ZINC000787677384 585913912 /nfs/dbraw/zinc/91/39/12/585913912.db2.gz WDIWEYMLDJLMAX-ZDUSSCGKSA-N 1 0 222.332 0.806 20 30 BCEDRO CC1(C)OCC(CO)([NH2+]CCCCC#N)CO1 ZINC000787998808 585918417 /nfs/dbraw/zinc/91/84/17/585918417.db2.gz JNUZJNXIIUGZGB-UHFFFAOYSA-N 1 0 242.319 0.784 20 30 BCEDRO C#CCCC[NH+]1CCN(CC(=O)OC)CC1 ZINC000789400732 585942125 /nfs/dbraw/zinc/94/21/25/585942125.db2.gz IQZPEUODUPQNLN-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2[nH]nnc2C)CC1 ZINC000789933599 585954163 /nfs/dbraw/zinc/95/41/63/585954163.db2.gz CHPDSILHAIBSKS-UHFFFAOYSA-N 1 0 249.318 0.493 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[N@H+]1CCC[C@H]1C ZINC000790052351 585956774 /nfs/dbraw/zinc/95/67/74/585956774.db2.gz ZCOJNGZFFBTUJX-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C[C@@H]1CC(N=Nc2nccn2C)C[N@@H+]1C ZINC000790305263 585963281 /nfs/dbraw/zinc/96/32/81/585963281.db2.gz HIPCGXUUXRAZQN-MRVPVSSYSA-N 1 0 207.281 0.912 20 30 BCEDRO C=C(CO)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000791327782 585977535 /nfs/dbraw/zinc/97/75/35/585977535.db2.gz HMPYXHMDVWATFP-LLVKDONJSA-N 1 0 240.347 0.773 20 30 BCEDRO C=C(CO)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000791327466 585977614 /nfs/dbraw/zinc/97/76/14/585977614.db2.gz LMZYDGFFDCEKKG-GHMZBOCLSA-N 1 0 224.304 0.278 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000791347710 585978224 /nfs/dbraw/zinc/97/82/24/585978224.db2.gz MHDQRZHLPZNYIE-NSHDSACASA-N 1 0 224.304 0.232 20 30 BCEDRO C=C(CO)C(=O)NCC[N@H+]1CCCC[C@@H]1CC ZINC000791364596 585979027 /nfs/dbraw/zinc/97/90/27/585979027.db2.gz VVJYPVFDKZGQCK-LBPRGKRZSA-N 1 0 240.347 0.916 20 30 BCEDRO C#CC[N@H+](C)CC[C@H]1CCS(=O)(=O)C1 ZINC000792302151 585999425 /nfs/dbraw/zinc/99/94/25/585999425.db2.gz NYMFKUAYTUPTNM-JTQLQIEISA-N 1 0 215.318 0.376 20 30 BCEDRO Fc1cncnc1N=NCc1ncc[nH]1 ZINC000793198847 586013680 /nfs/dbraw/zinc/01/36/80/586013680.db2.gz FRVXQPNGVZMPMQ-UHFFFAOYSA-N 1 0 206.184 0.785 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ncncc1F ZINC000793211176 586013892 /nfs/dbraw/zinc/01/38/92/586013892.db2.gz IJTWKIBVPOCUDN-SSDOTTSWSA-N 1 0 223.255 0.965 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@](C)(CO)C(C)C ZINC000793762980 586026126 /nfs/dbraw/zinc/02/61/26/586026126.db2.gz BVTQNZICHWKHDB-GFCCVEGCSA-N 1 0 228.336 0.627 20 30 BCEDRO C[C@H]1CCC(N=NC(N)=[NH2+])[C@H](n2cncn2)C1 ZINC000794489518 586040610 /nfs/dbraw/zinc/04/06/10/586040610.db2.gz WZWBIWWNJHIURM-IONNQARKSA-N 1 0 235.295 0.478 20 30 BCEDRO COC(=O)C[C@H]1CCC(N=NC(N)=[NH2+])[C@H]1C ZINC000794488501 586040704 /nfs/dbraw/zinc/04/07/04/586040704.db2.gz ISWFWFIWMZCENG-NKWVEPMBSA-N 1 0 226.280 0.435 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC(C2CC2)C1 ZINC000794498589 586041120 /nfs/dbraw/zinc/04/11/20/586041120.db2.gz VEQAIRKMNVJGPT-UHFFFAOYSA-N 1 0 208.305 0.973 20 30 BCEDRO C#CC(C)(C)[N@H+](C)CCCOC(=O)NC(N)=O ZINC000794574266 586044794 /nfs/dbraw/zinc/04/47/94/586044794.db2.gz FLNPNGRTRPNOOP-UHFFFAOYSA-N 1 0 241.291 0.525 20 30 BCEDRO C#CCOc1ccc(C[NH2+]C[C@](C)(O)CO)cc1 ZINC000794748043 586048115 /nfs/dbraw/zinc/04/81/15/586048115.db2.gz GORJLWMGEQPJTK-AWEZNQCLSA-N 1 0 249.310 0.532 20 30 BCEDRO C#CCOc1ccc(C[NH2+]C[C@@](C)(O)CO)cc1 ZINC000794748044 586048162 /nfs/dbraw/zinc/04/81/62/586048162.db2.gz GORJLWMGEQPJTK-CQSZACIVSA-N 1 0 249.310 0.532 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)C[C@@H](C)OC ZINC000795049598 586066999 /nfs/dbraw/zinc/06/69/99/586066999.db2.gz GPNLOSXFWMJIEL-LLVKDONJSA-N 1 0 228.336 0.988 20 30 BCEDRO COCC(C)(C)[N@H+](C)CC(=O)NCCC#N ZINC000795191847 586071144 /nfs/dbraw/zinc/07/11/44/586071144.db2.gz IEDWUGZEWBVLGU-UHFFFAOYSA-N 1 0 227.308 0.373 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)C1(CO)CCC1 ZINC000795201876 586071860 /nfs/dbraw/zinc/07/18/60/586071860.db2.gz QCDNLLFQSHQOMB-SNVBAGLBSA-N 1 0 212.293 0.762 20 30 BCEDRO C#CCCOC(=O)NC[C@H]1CCC[N@H+]1C ZINC000859296647 589029312 /nfs/dbraw/zinc/02/93/12/589029312.db2.gz LKIRNYIRZWEKMS-SNVBAGLBSA-N 1 0 210.277 0.830 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(F)nc2)n1 ZINC000796497247 586105052 /nfs/dbraw/zinc/10/50/52/586105052.db2.gz HOBPQNCMIPFDCD-UHFFFAOYSA-N 1 0 246.249 0.474 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC(C)=C[C@H](C)C1 ZINC000797525623 586128502 /nfs/dbraw/zinc/12/85/02/586128502.db2.gz BSZJQBYFFLMJBD-JTQLQIEISA-N 1 0 206.289 0.634 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC(C)=C[C@@H](C)C1 ZINC000797525625 586128522 /nfs/dbraw/zinc/12/85/22/586128522.db2.gz BSZJQBYFFLMJBD-SNVBAGLBSA-N 1 0 206.289 0.634 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000843076754 586137074 /nfs/dbraw/zinc/13/70/74/586137074.db2.gz JAAIHRJUXMBPPK-UONOGXRCSA-N 1 0 233.311 0.564 20 30 BCEDRO C#CCN(CC#N)C(=O)C1([NH+](C)C)CCC1 ZINC000799086234 586156359 /nfs/dbraw/zinc/15/63/59/586156359.db2.gz SEQZXWVUGWYKFY-UHFFFAOYSA-N 1 0 219.288 0.456 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000799180656 586165840 /nfs/dbraw/zinc/16/58/40/586165840.db2.gz DTSUZNOXXOXLMB-OUAUKWLOSA-N 1 0 240.303 0.354 20 30 BCEDRO C#CCCC[N@@H+]1CCOC[C@]12CCOC2 ZINC000799347862 586173063 /nfs/dbraw/zinc/17/30/63/586173063.db2.gz PTVJJRFFEYMJGR-GFCCVEGCSA-N 1 0 209.289 0.891 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCc2cn(C)nn2)C1 ZINC000859337224 589032255 /nfs/dbraw/zinc/03/22/55/589032255.db2.gz XIEFCHHLCNGFSQ-NSHDSACASA-N 1 0 218.304 0.703 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ncc(Cl)n2C)N1 ZINC000799486039 586180197 /nfs/dbraw/zinc/18/01/97/586180197.db2.gz XXBFXLRFCRFEBP-LURJTMIESA-N 1 0 240.698 0.345 20 30 BCEDRO Cc1c(C)c(O)c(C=NNC(N)=[NH2+])c(C)c1O ZINC000799874843 586198820 /nfs/dbraw/zinc/19/88/20/586198820.db2.gz CFAUSVILBLMLNE-UHFFFAOYSA-N 1 0 236.275 0.840 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000800465612 586221295 /nfs/dbraw/zinc/22/12/95/586221295.db2.gz DNPGWOUYWMEERP-SNVBAGLBSA-N 1 0 215.318 0.519 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cn(C)c(C)n1 ZINC000800815575 586232327 /nfs/dbraw/zinc/23/23/27/586232327.db2.gz FOPMEYKFOHOVKM-ZETCQYMHSA-N 1 0 234.307 0.390 20 30 BCEDRO CC#CC(=O)N[C@H]1CCC[N@@H+](CCOC)C1 ZINC000801151995 586243303 /nfs/dbraw/zinc/24/33/03/586243303.db2.gz DWLXZVRCQMGZDT-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)[C@@H]1CCCCNC1=O ZINC000801917750 586276379 /nfs/dbraw/zinc/27/63/79/586276379.db2.gz NRPBVEMUVQVARV-WDEREUQCSA-N 1 0 239.319 0.516 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](CC(N)=O)C(C)(C)C ZINC000801929627 586278658 /nfs/dbraw/zinc/27/86/58/586278658.db2.gz RAFBMBSWHTZVFZ-SECBINFHSA-N 1 0 227.308 0.501 20 30 BCEDRO CNC(=O)C1([NH2+]CCO[C@@H](C)C#N)CCCC1 ZINC000801932301 586278702 /nfs/dbraw/zinc/27/87/02/586278702.db2.gz KBGBAZIVCLLOCK-JTQLQIEISA-N 1 0 239.319 0.563 20 30 BCEDRO COC(=O)C[C@@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000801934782 586278754 /nfs/dbraw/zinc/27/87/54/586278754.db2.gz QYDLBJQWLSJZIJ-QWRGUYRKSA-N 1 0 240.303 0.943 20 30 BCEDRO CC(=O)OC1CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801936565 586279588 /nfs/dbraw/zinc/27/95/88/586279588.db2.gz RXOOCMLEHIYCTK-JTQLQIEISA-N 1 0 240.303 0.943 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)C1(C(N)=O)CCCC1 ZINC000801935793 586280087 /nfs/dbraw/zinc/28/00/87/586280087.db2.gz FOBGZCHJELXKAX-SNVBAGLBSA-N 1 0 239.319 0.645 20 30 BCEDRO CNC(=O)CCC[N@H+](C)CCO[C@H](C)C#N ZINC000801936620 586280123 /nfs/dbraw/zinc/28/01/23/586280123.db2.gz UGVIABMJSDZTNR-SNVBAGLBSA-N 1 0 227.308 0.373 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000801940748 586280773 /nfs/dbraw/zinc/28/07/73/586280773.db2.gz DPEQAXSHFUISAX-MXWKQRLJSA-N 1 0 239.319 0.549 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1ccnn1C)[C@@H]1CCCO1 ZINC000801943470 586281440 /nfs/dbraw/zinc/28/14/40/586281440.db2.gz WGHDBTOBCXZONZ-OLZOCXBDSA-N 1 0 233.315 0.733 20 30 BCEDRO CC(C)OC[C@H](CO)[N@H+](C)CCO[C@@H](C)C#N ZINC000801951920 586282121 /nfs/dbraw/zinc/28/21/21/586282121.db2.gz ZQJSBKMEQAIYPK-RYUDHWBXSA-N 1 0 244.335 0.633 20 30 BCEDRO COCC[C@@]1([NH2+]CCO[C@@H](C)C#N)CCOC1 ZINC000801952321 586282124 /nfs/dbraw/zinc/28/21/24/586282124.db2.gz SMOGOMNXIOQKNV-NWDGAFQWSA-N 1 0 242.319 0.700 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)C1(CO)CCOCC1 ZINC000801950706 586282891 /nfs/dbraw/zinc/28/28/91/586282891.db2.gz ZKSQNPIYGMMBEQ-LLVKDONJSA-N 1 0 242.319 0.388 20 30 BCEDRO COCC[C@]1([NH2+]CCO[C@H](C)C#N)CCOC1 ZINC000801952320 586282976 /nfs/dbraw/zinc/28/29/76/586282976.db2.gz SMOGOMNXIOQKNV-NEPJUHHUSA-N 1 0 242.319 0.700 20 30 BCEDRO C#CC(=O)N(CCC)CC[NH+]1CCCC1 ZINC000804442158 586396168 /nfs/dbraw/zinc/39/61/68/586396168.db2.gz PACOYSVUBKQZKZ-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO CON=CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804527070 586398036 /nfs/dbraw/zinc/39/80/36/586398036.db2.gz NYMRRQJXATVWKZ-QWRGUYRKSA-N 1 0 239.319 0.704 20 30 BCEDRO C#C[C@H](C)NC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000806319264 586410016 /nfs/dbraw/zinc/41/00/16/586410016.db2.gz KHGGBRWMFJNGOS-JTQLQIEISA-N 1 0 249.318 0.588 20 30 BCEDRO CON=C1c2ccccc2N(CC[NH+](C)C)C1=O ZINC000807961857 586452913 /nfs/dbraw/zinc/45/29/13/586452913.db2.gz IPNRRRNKKKMXSH-UHFFFAOYSA-N 1 0 247.298 0.945 20 30 BCEDRO CCO[C@H]1CC(N=NC(N)=[NH2+])[C@H]1SC ZINC000807962579 586453384 /nfs/dbraw/zinc/45/33/84/586453384.db2.gz ZOUWHWNXPYNTNU-NKWVEPMBSA-N 1 0 216.310 0.366 20 30 BCEDRO C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cnccn1 ZINC000807979061 586454229 /nfs/dbraw/zinc/45/42/29/586454229.db2.gz LWJSOTAHWMNLKQ-QWRGUYRKSA-N 1 0 244.302 0.671 20 30 BCEDRO C[N@@H+]1CCCC(N=Nc2nc[nH]n2)CC1 ZINC000807996580 586456477 /nfs/dbraw/zinc/45/64/77/586456477.db2.gz ZOEMZVGWUGLSEH-UHFFFAOYSA-N 1 0 208.269 0.688 20 30 BCEDRO CC(C)[N@H+]1CC(N=Nc2nc[nH]n2)[C@@H](C)C1 ZINC000807998723 586457266 /nfs/dbraw/zinc/45/72/66/586457266.db2.gz QPOBHVBVCLAJRW-QMMMGPOBSA-N 1 0 222.296 0.933 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(=O)N(C)OC)[C@@H]1CCCO1 ZINC000808748398 586487263 /nfs/dbraw/zinc/48/72/63/586487263.db2.gz NIQCYYZYLACVCJ-MNOVXSKESA-N 1 0 240.303 0.167 20 30 BCEDRO CCOC(=O)C1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000809570862 586507455 /nfs/dbraw/zinc/50/74/55/586507455.db2.gz CWEVNGRQUVAYDP-LLVKDONJSA-N 1 0 240.303 0.536 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)[C@H](CO)C(C)(C)C ZINC000809575910 586507715 /nfs/dbraw/zinc/50/77/15/586507715.db2.gz GDHLYGGPRHSOCU-NXEZZACHSA-N 1 0 214.309 0.600 20 30 BCEDRO N#CC[C@@H](O)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000809577153 586507836 /nfs/dbraw/zinc/50/78/36/586507836.db2.gz LAARVGUCTQMKRW-LLVKDONJSA-N 1 0 234.303 0.864 20 30 BCEDRO CCC[N@H+](C)C[C@H]1CCN(C[C@H](O)CC#N)C1 ZINC000809577703 586507928 /nfs/dbraw/zinc/50/79/28/586507928.db2.gz ZWLWADLVCGDOGY-CHWSQXEVSA-N 1 0 239.363 0.925 20 30 BCEDRO CC[N@H+](C)C[C@@H]1CCN(C[C@H](O)CC#N)C1 ZINC000809576999 586508229 /nfs/dbraw/zinc/50/82/29/586508229.db2.gz IUSQNZWEJILJPD-NWDGAFQWSA-N 1 0 225.336 0.535 20 30 BCEDRO COC(=O)[C@]1(C)CC[N@H+](C[C@H](O)CC#N)C1 ZINC000809576854 586508183 /nfs/dbraw/zinc/50/81/83/586508183.db2.gz IAWOTIKONOFBKU-MWLCHTKSSA-N 1 0 226.276 0.146 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000809576537 586508245 /nfs/dbraw/zinc/50/82/45/586508245.db2.gz CGLWQIDXHZXUJJ-GMTAPVOTSA-N 1 0 242.344 0.467 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)C=NOC)CC1 ZINC000809689179 586512816 /nfs/dbraw/zinc/51/28/16/586512816.db2.gz WOKQULLRIOPYSZ-UHFFFAOYSA-N 1 0 237.303 0.223 20 30 BCEDRO CON=CC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000809693650 586513317 /nfs/dbraw/zinc/51/33/17/586513317.db2.gz CKQMJXZQLIPMEP-DTWKUNHWSA-N 1 0 213.281 0.218 20 30 BCEDRO CON=CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000809711053 586514390 /nfs/dbraw/zinc/51/43/90/586514390.db2.gz IIKJWWFFVGNYPO-UHFFFAOYSA-N 1 0 240.307 0.313 20 30 BCEDRO CON=CC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000809737858 586516052 /nfs/dbraw/zinc/51/60/52/586516052.db2.gz NCYPYFRYUVQRRS-IUCAKERBSA-N 1 0 245.348 0.123 20 30 BCEDRO C[C@H](CC#N)N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811645646 586562524 /nfs/dbraw/zinc/56/25/24/586562524.db2.gz USZWWMGGAFTNNF-SECBINFHSA-N 1 0 234.307 0.712 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000812055860 586569961 /nfs/dbraw/zinc/56/99/61/586569961.db2.gz CXQMSMHTKPLVKX-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCON=C1CC[NH+](CCC(=O)OC)CC1 ZINC000812233532 586571243 /nfs/dbraw/zinc/57/12/43/586571243.db2.gz UVLCHOCDKZJKQP-UHFFFAOYSA-N 1 0 238.287 0.651 20 30 BCEDRO C#CCN(CC#N)C(=O)CC1CC[NH+](C)CC1 ZINC000813559659 586603685 /nfs/dbraw/zinc/60/36/85/586603685.db2.gz DZTHREDYWUSAJB-UHFFFAOYSA-N 1 0 233.315 0.704 20 30 BCEDRO CC#CC(=O)N(C)CCC[N@H+](C)CCN(C)C ZINC000813854775 586608206 /nfs/dbraw/zinc/60/82/06/586608206.db2.gz HZZNMOQLXGIDLT-UHFFFAOYSA-N 1 0 239.363 0.352 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](O)C12CCCC2 ZINC000814668106 586627414 /nfs/dbraw/zinc/62/74/14/586627414.db2.gz YLGBFYYKVBNUNI-NSHDSACASA-N 1 0 236.315 0.115 20 30 BCEDRO COCC(Cc1ccccc1)N=NC(N)=[NH2+] ZINC000814796463 586634461 /nfs/dbraw/zinc/63/44/61/586634461.db2.gz FCUAWTOLOHCZOI-UHFFFAOYSA-N 1 0 220.276 0.715 20 30 BCEDRO Cc1cc2c(cc1C)C(=NNC(N)=[NH2+])CO2 ZINC000814796675 586634497 /nfs/dbraw/zinc/63/44/97/586634497.db2.gz LCSYSKHECAFEEK-UHFFFAOYSA-N 1 0 218.260 0.883 20 30 BCEDRO NC(=[NH2+])NN=C1COc2c1cccc2Cl ZINC000814796748 586634526 /nfs/dbraw/zinc/63/45/26/586634526.db2.gz NOABJUHAGMRQCC-UHFFFAOYSA-N 1 0 224.651 0.920 20 30 BCEDRO NC(=[NH2+])NN=Cc1cccc2cc[nH]c21 ZINC000814795772 586634611 /nfs/dbraw/zinc/63/46/11/586634611.db2.gz FPVQERPPUWAGFX-UHFFFAOYSA-N 1 0 201.233 0.985 20 30 BCEDRO Cc1c[nH]nc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000814885946 586643181 /nfs/dbraw/zinc/64/31/81/586643181.db2.gz NSEINMJEQWUHOS-NXEZZACHSA-N 1 0 246.318 0.912 20 30 BCEDRO CC(=NNC[C@@H](C)O)C1CC[NH+](C)CC1 ZINC000814962521 586660276 /nfs/dbraw/zinc/66/02/76/586660276.db2.gz MLWQMVZLUSRAOA-SECBINFHSA-N 1 0 213.325 0.675 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1(CO)CCCCC1 ZINC000815075201 586665403 /nfs/dbraw/zinc/66/54/03/586665403.db2.gz RGHUHXZPWZUBTO-UHFFFAOYSA-N 1 0 238.331 0.411 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCOC[C@@H]1C ZINC000815074539 586665415 /nfs/dbraw/zinc/66/54/15/586665415.db2.gz WFNQNWLKMCDIAK-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO N#CCCOCC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000815090782 586666186 /nfs/dbraw/zinc/66/61/86/586666186.db2.gz NHCOZBLXWKIARX-GHMZBOCLSA-N 1 0 239.319 0.550 20 30 BCEDRO N#CCCOCC[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000815098955 586666353 /nfs/dbraw/zinc/66/63/53/586666353.db2.gz CJADROQRCZRBOJ-WDEREUQCSA-N 1 0 210.277 0.231 20 30 BCEDRO CN(CCOCCC#N)[C@@H]1CC(C)(C)OC1=O ZINC000815120636 586667394 /nfs/dbraw/zinc/66/73/94/586667394.db2.gz LGMYCXOHGBAMIL-SNVBAGLBSA-N 1 0 240.303 0.943 20 30 BCEDRO C#CCC(C)(C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000816617888 586744701 /nfs/dbraw/zinc/74/47/01/586744701.db2.gz KOQCYITZZXNBFK-SNVBAGLBSA-N 1 0 226.320 0.075 20 30 BCEDRO C#CCC(CC#C)C(=O)N1CCc2[nH]cnc2C1 ZINC000816651767 586752249 /nfs/dbraw/zinc/75/22/49/586752249.db2.gz PSLTZCQRLXNIFO-UHFFFAOYSA-N 1 0 241.294 0.957 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CO[C@H](C)C1 ZINC000842696271 586768825 /nfs/dbraw/zinc/76/88/25/586768825.db2.gz SMXIFQJUGGXRGL-ZJUUUORDSA-N 1 0 233.333 0.354 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000816871741 586768906 /nfs/dbraw/zinc/76/89/06/586768906.db2.gz SAFCXBXFPPGXKI-UTUOFQBUSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CCO[C@H]3C[C@H]32)CC1 ZINC000816900151 586770257 /nfs/dbraw/zinc/77/02/57/586770257.db2.gz IQLJTSZHVQXDAE-OLZOCXBDSA-N 1 0 248.326 0.331 20 30 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C#C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@@H]1CCCO1 ZINC000819242085 586942343 /nfs/dbraw/zinc/94/23/43/586942343.db2.gz JKLLPOCZNIUKIK-DCAQKATOSA-N 1 0 245.344 0.190 20 30 BCEDRO Cc1ccccc1[C@H](O)C[NH2+]CC(=O)NCC#N ZINC000819311866 586950267 /nfs/dbraw/zinc/95/02/67/586950267.db2.gz POEAFIUWEXVTTC-GFCCVEGCSA-N 1 0 247.298 0.258 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)C2CC2)nc1 ZINC000819311039 586950399 /nfs/dbraw/zinc/95/03/99/586950399.db2.gz HDYCZLATNJGCQC-GFCCVEGCSA-N 1 0 217.272 0.814 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(=C)C[NH+](C)C ZINC000819604524 586981168 /nfs/dbraw/zinc/98/11/68/586981168.db2.gz FYEIQHISUPNYEU-RYUDHWBXSA-N 1 0 238.331 0.812 20 30 BCEDRO OCC[NH+]1CCC(N=Nc2cnccn2)CC1 ZINC000819806301 586995814 /nfs/dbraw/zinc/99/58/14/586995814.db2.gz OONJWEUYQPCRAE-UHFFFAOYSA-N 1 0 235.291 0.333 20 30 BCEDRO Nc1cnccc1C=[NH+]N1CCOCC1 ZINC000819801801 586996215 /nfs/dbraw/zinc/99/62/15/586996215.db2.gz RVMCWXPKORXJFU-UHFFFAOYSA-N 1 0 206.249 0.330 20 30 BCEDRO 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C#C[C@@H](C)NC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000820436236 587049097 /nfs/dbraw/zinc/04/90/97/587049097.db2.gz UQBPFVNAWBDOHQ-PWSUYJOCSA-N 1 0 235.331 0.886 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)C1 ZINC000860166219 589084839 /nfs/dbraw/zinc/08/48/39/589084839.db2.gz HAPOTQULCSXVIO-YTWAJWBKSA-N 1 0 220.272 0.783 20 30 BCEDRO N#Cc1ccc(C[N@@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)nc1 ZINC000860163842 589084920 /nfs/dbraw/zinc/08/49/20/589084920.db2.gz AWDOSHOWXYNYOE-JQWIXIFHSA-N 1 0 243.266 0.558 20 30 BCEDRO CC#CC[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000821329077 587108146 /nfs/dbraw/zinc/10/81/46/587108146.db2.gz UYMXDDKISCUIRB-TXEJJXNPSA-N 1 0 206.289 0.420 20 30 BCEDRO CC[C@H](CC#N)NC(=O)C[NH+]1CCCC1 ZINC000821955944 587147741 /nfs/dbraw/zinc/14/77/41/587147741.db2.gz ZRRAZBZJTUDGHX-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C#C[C@@H](C)NC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000822082450 587151983 /nfs/dbraw/zinc/15/19/83/587151983.db2.gz MOCATDNSKOEJHZ-LLVKDONJSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000822235555 587159070 /nfs/dbraw/zinc/15/90/70/587159070.db2.gz MFKZGLZFLVFBEX-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCN(C)C(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000822370112 587164134 /nfs/dbraw/zinc/16/41/34/587164134.db2.gz JIUJCGLAUVTXCJ-UHFFFAOYSA-N 1 0 238.331 0.436 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000822406902 587166494 /nfs/dbraw/zinc/16/64/94/587166494.db2.gz KDJLNHQYAIJGNW-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000822626524 587178139 /nfs/dbraw/zinc/17/81/39/587178139.db2.gz XFPANMAGSOMMDM-JQWIXIFHSA-N 1 0 238.331 0.481 20 30 BCEDRO CC(C)C#CC(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000823027792 587197027 /nfs/dbraw/zinc/19/70/27/587197027.db2.gz OPTZSMGEYSQFTE-NSHDSACASA-N 1 0 208.305 0.714 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1CCO[C@H](C)C#N ZINC000823195130 587207409 /nfs/dbraw/zinc/20/74/09/587207409.db2.gz PMYDCZXMOGVEPS-NEPJUHHUSA-N 1 0 225.336 0.941 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000823204683 587208638 /nfs/dbraw/zinc/20/86/38/587208638.db2.gz LABLFUSBBSMVLH-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000823468277 587224489 /nfs/dbraw/zinc/22/44/89/587224489.db2.gz FGWFNGSZFMMDOW-LLVKDONJSA-N 1 0 204.277 0.938 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000823737054 587238821 /nfs/dbraw/zinc/23/88/21/587238821.db2.gz RRUIBDVMOGQLDP-GARJFASQSA-N 1 0 224.304 0.281 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](CF)C1 ZINC000840483041 587242229 /nfs/dbraw/zinc/24/22/29/587242229.db2.gz GVDDDXCVRWMBTN-JTQLQIEISA-N 1 0 230.283 0.301 20 30 BCEDRO CN(C)c1ccc(C=[NH+]OCC(N)=O)cc1 ZINC000823869046 587244762 /nfs/dbraw/zinc/24/47/62/587244762.db2.gz PJXNFOJDOYNLPK-UHFFFAOYSA-N 1 0 221.260 0.588 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CSC[C@@H]1C ZINC000824142127 587257437 /nfs/dbraw/zinc/25/74/37/587257437.db2.gz JWKXYMYGNQDVEK-VHSXEESVSA-N 1 0 249.401 0.928 20 30 BCEDRO C=C(C)CONC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000824233250 587262220 /nfs/dbraw/zinc/26/22/20/587262220.db2.gz RFFBTZXYVOQANO-JTQLQIEISA-N 1 0 212.293 0.952 20 30 BCEDRO C=CCCONC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000824659330 587281554 /nfs/dbraw/zinc/28/15/54/587281554.db2.gz DHSMJBVZAABBPP-SNVBAGLBSA-N 1 0 212.293 0.952 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)C[NH+]1CCCC1 ZINC000825080797 587303488 /nfs/dbraw/zinc/30/34/88/587303488.db2.gz WZKFXZCFYSJRGB-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO CC(C)C#CC(=O)NCCN1CCO[C@H](C)C1 ZINC000825160207 587307320 /nfs/dbraw/zinc/30/73/20/587307320.db2.gz OXXJZWIUPSONND-GFCCVEGCSA-N 1 0 238.331 0.483 20 30 BCEDRO CON=CC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000826721831 587359996 /nfs/dbraw/zinc/35/99/96/587359996.db2.gz KEHYMNKZYWHUOZ-SECBINFHSA-N 1 0 213.281 0.077 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](NC(=O)C#CC(C)C)C1 ZINC000826797356 587362722 /nfs/dbraw/zinc/36/27/22/587362722.db2.gz RSGCZBCIFBXSEI-GFCCVEGCSA-N 1 0 238.331 0.483 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1cncn1C)C1CCOCC1 ZINC000827571222 587389530 /nfs/dbraw/zinc/38/95/30/587389530.db2.gz XBLVLHUOEKUZHS-CYBMUJFWSA-N 1 0 233.315 0.938 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000827585609 587390493 /nfs/dbraw/zinc/39/04/93/587390493.db2.gz MXNORSBUZQECHM-JTQLQIEISA-N 1 0 214.309 0.380 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](O)CC(C)(C)C1 ZINC000827676219 587395643 /nfs/dbraw/zinc/39/56/43/587395643.db2.gz GKSPUFCYJBZXKT-LLVKDONJSA-N 1 0 240.347 0.724 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[N@H+](C)CC1(C)C ZINC000828145670 587421469 /nfs/dbraw/zinc/42/14/69/587421469.db2.gz QSUSMHKGAGSTDO-LLVKDONJSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCN(C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C)C1CC1 ZINC000828533629 587448366 /nfs/dbraw/zinc/44/83/66/587448366.db2.gz GAXAGFQXKPRPAR-ZYHUDNBSSA-N 1 0 220.316 0.951 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000828839423 587465432 /nfs/dbraw/zinc/46/54/32/587465432.db2.gz BMLVOPXAGPFSRU-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CCC)[C@H]1CCCO1 ZINC000828954186 587475407 /nfs/dbraw/zinc/47/54/07/587475407.db2.gz QMFHQMFOSLOJGV-SDDRHHMPSA-N 1 0 211.305 0.918 20 30 BCEDRO C#Cc1cnc(N2C[C@H]3CC[N@@H+](C)[C@H]3C2)nc1 ZINC000828990729 587477418 /nfs/dbraw/zinc/47/74/18/587477418.db2.gz DXOLYSWNZBYDAN-NEPJUHHUSA-N 1 0 228.299 0.598 20 30 BCEDRO CC[C@@H]1[C@@H](C(=O)NC2=NO[C@@H](C)C2)CC[N@@H+]1C ZINC000867062615 587502143 /nfs/dbraw/zinc/50/21/43/587502143.db2.gz GEQIRSACPUXZID-LPEHRKFASA-N 1 0 239.319 0.955 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000829706017 587510746 /nfs/dbraw/zinc/51/07/46/587510746.db2.gz XOYQHZZEHPATKZ-WZRBSPASSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C[C@@H](CC)CC(=O)NCC[N@H+](C)CCO ZINC000829749098 587513762 /nfs/dbraw/zinc/51/37/62/587513762.db2.gz COTFAOIUOLXBLK-NSHDSACASA-N 1 0 228.336 0.629 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000829774174 587515005 /nfs/dbraw/zinc/51/50/05/587515005.db2.gz MYXRMQCHSGXBQN-SNVBAGLBSA-N 1 0 237.303 0.307 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000829774173 587515150 /nfs/dbraw/zinc/51/51/50/587515150.db2.gz MYXRMQCHSGXBQN-JTQLQIEISA-N 1 0 237.303 0.307 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000829810051 587518384 /nfs/dbraw/zinc/51/83/84/587518384.db2.gz LAWQBPQSEZCZCM-QWRGUYRKSA-N 1 0 234.299 0.527 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@](C)(O)C(=O)OC)C1 ZINC000829810068 587518745 /nfs/dbraw/zinc/51/87/45/587518745.db2.gz LLRQGHSJXUVVOV-DGCLKSJQSA-N 1 0 239.315 0.646 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1CCO ZINC000829993877 587531466 /nfs/dbraw/zinc/53/14/66/587531466.db2.gz OIDCLJWDPXCFAB-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C#CC1CC[NH+](CCN2CCCC2=O)CC1 ZINC000830321616 587545936 /nfs/dbraw/zinc/54/59/36/587545936.db2.gz UGSRPYIIBYMJQL-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC1CC[NH+](CCN2CCOCC2)CC1 ZINC000830326704 587546159 /nfs/dbraw/zinc/54/61/59/587546159.db2.gz YVSQPTQFTWADLN-UHFFFAOYSA-N 1 0 222.332 0.664 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC(F)(F)C[C@H]1CO ZINC000830535191 587556768 /nfs/dbraw/zinc/55/67/68/587556768.db2.gz OCMAWBLDMSBRQH-VIFPVBQESA-N 1 0 248.273 0.333 20 30 BCEDRO C=C(Cl)CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000830546184 587557095 /nfs/dbraw/zinc/55/70/95/587557095.db2.gz SXJXFHOQFJXKCM-SNVBAGLBSA-N 1 0 243.694 0.413 20 30 BCEDRO CC(C)C#CC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000830628306 587561519 /nfs/dbraw/zinc/56/15/19/587561519.db2.gz QYWMGZKZRPRBOG-NEPJUHHUSA-N 1 0 238.331 0.481 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](O)CC(F)(F)C1 ZINC000830817509 587571983 /nfs/dbraw/zinc/57/19/83/587571983.db2.gz BULVAOAFABQEGC-VIFPVBQESA-N 1 0 248.273 0.333 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)CCSC ZINC000830994780 587581146 /nfs/dbraw/zinc/58/11/46/587581146.db2.gz UXVHLGDWBVMBES-JTQLQIEISA-N 1 0 228.361 0.809 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)CCSC ZINC000830994782 587581298 /nfs/dbraw/zinc/58/12/98/587581298.db2.gz UXVHLGDWBVMBES-SNVBAGLBSA-N 1 0 228.361 0.809 20 30 BCEDRO C#CCCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000831151665 587587976 /nfs/dbraw/zinc/58/79/76/587587976.db2.gz ZVOLWSVMJKKYMZ-VHSXEESVSA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831194385 587590948 /nfs/dbraw/zinc/59/09/48/587590948.db2.gz YWAMBXFPCWGDQJ-UWVGGRQHSA-N 1 0 221.304 0.449 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](CO)C[C@H]1C ZINC000831219250 587592599 /nfs/dbraw/zinc/59/25/99/587592599.db2.gz JOGSNCUZGXOXTH-VXGBXAGGSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC)C[C@@H](C)O ZINC000831310234 587597354 /nfs/dbraw/zinc/59/73/54/587597354.db2.gz GZJUWXDBBWDSAD-MNOVXSKESA-N 1 0 228.336 0.770 20 30 BCEDRO C#CCCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000831312133 587597817 /nfs/dbraw/zinc/59/78/17/587597817.db2.gz UYKCKRWJJNAFOL-UHFFFAOYSA-N 1 0 231.299 0.968 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](OC)C(C)(C)C1 ZINC000831539787 587617859 /nfs/dbraw/zinc/61/78/59/587617859.db2.gz XANSLXWOFXHZDM-LLVKDONJSA-N 1 0 238.331 0.483 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000831759946 587630275 /nfs/dbraw/zinc/63/02/75/587630275.db2.gz OJPIIYUSXFAJPK-NGZCFLSTSA-N 1 0 225.267 0.496 20 30 BCEDRO CCO[C@@H](CNC(=O)C(C)(C)C#N)C[NH+](C)C ZINC000831756192 587630523 /nfs/dbraw/zinc/63/05/23/587630523.db2.gz CWYZENGGEZGLDN-JTQLQIEISA-N 1 0 241.335 0.619 20 30 BCEDRO C#CCCCN1CCc2[nH]nc(C(=O)OC)c2C1 ZINC000831998254 587642318 /nfs/dbraw/zinc/64/23/18/587642318.db2.gz SAZHFOQJAWUFQU-UHFFFAOYSA-N 1 0 247.298 0.968 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCOCC[NH+](CC)CC ZINC000832137359 587646213 /nfs/dbraw/zinc/64/62/13/587646213.db2.gz JRQRHCZAOFRFJG-LLVKDONJSA-N 1 0 244.335 0.008 20 30 BCEDRO C=C[C@H](O)C(=O)NCCOCC[NH+](CC)CC ZINC000832137360 587646373 /nfs/dbraw/zinc/64/63/73/587646373.db2.gz JRQRHCZAOFRFJG-NSHDSACASA-N 1 0 244.335 0.008 20 30 BCEDRO C#C[C@H](NC(=O)C1([NH+](C)C)CC1)[C@@H]1CCCO1 ZINC000832411845 587658997 /nfs/dbraw/zinc/65/89/97/587658997.db2.gz JXNOLHLITSUSMY-QWRGUYRKSA-N 1 0 236.315 0.378 20 30 BCEDRO C#CCC(CC#C)C(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000832690703 587677788 /nfs/dbraw/zinc/67/77/88/587677788.db2.gz JRCDXMXYIAJMLU-KBPBESRZSA-N 1 0 244.338 0.812 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000832697893 587678187 /nfs/dbraw/zinc/67/81/87/587678187.db2.gz JKQWVXHKTZYMOZ-UTUOFQBUSA-N 1 0 236.315 0.187 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCOC1(C)C ZINC000834002381 587742282 /nfs/dbraw/zinc/74/22/82/587742282.db2.gz UXSGMXOJHUNHMA-SNVBAGLBSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](CO)[C@@H]1CC ZINC000834094784 587745364 /nfs/dbraw/zinc/74/53/64/587745364.db2.gz SENWADFTVYRQHQ-NEPJUHHUSA-N 1 0 240.347 0.724 20 30 BCEDRO C#CCCCC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000834307946 587750998 /nfs/dbraw/zinc/75/09/98/587750998.db2.gz RAJDAOUVWAIZFC-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CC12CCOCC2 ZINC000834480088 587756124 /nfs/dbraw/zinc/75/61/24/587756124.db2.gz KWSHNPABNHTRRG-OUAUKWLOSA-N 1 0 249.314 0.031 20 30 BCEDRO C=CCC(CC=C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834479359 587756189 /nfs/dbraw/zinc/75/61/89/587756189.db2.gz DJFMJCWMPKVWAO-RYUDHWBXSA-N 1 0 233.315 0.983 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCOCC1CC1 ZINC000834480678 587756353 /nfs/dbraw/zinc/75/63/53/587756353.db2.gz USFNJCDIYDAZRO-MNOVXSKESA-N 1 0 237.303 0.031 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(N)cc1 ZINC000834484717 587756510 /nfs/dbraw/zinc/75/65/10/587756510.db2.gz MDGNCQFXWOQYPF-GXSJLCMTSA-N 1 0 230.271 0.110 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCO1 ZINC000834485338 587756516 /nfs/dbraw/zinc/75/65/16/587756516.db2.gz VJCICROCTXRBHY-ZNSHCXBVSA-N 1 0 237.303 0.029 20 30 BCEDRO Cc1ccc(N)cc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834484833 587756669 /nfs/dbraw/zinc/75/66/69/587756669.db2.gz OADVZWDOQWKPJH-SKDRFNHKSA-N 1 0 244.298 0.419 20 30 BCEDRO Cc1ccc(N)cc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834484832 587756760 /nfs/dbraw/zinc/75/67/60/587756760.db2.gz OADVZWDOQWKPJH-JOYOIKCWSA-N 1 0 244.298 0.419 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1Cc2ccccc21 ZINC000834489688 587756933 /nfs/dbraw/zinc/75/69/33/587756933.db2.gz OPOYKPSZWLIHKB-RTXFEEFZSA-N 1 0 241.294 0.554 20 30 BCEDRO CSCCCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834490476 587757060 /nfs/dbraw/zinc/75/70/60/587757060.db2.gz VIUFPFJYBDUARO-VHSXEESVSA-N 1 0 241.360 0.747 20 30 BCEDRO CSCCCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834490478 587757064 /nfs/dbraw/zinc/75/70/64/587757064.db2.gz VIUFPFJYBDUARO-ZJUUUORDSA-N 1 0 241.360 0.747 20 30 BCEDRO Cc1ccncc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834489043 587757142 /nfs/dbraw/zinc/75/71/42/587757142.db2.gz IRFGTKQMKHGOJJ-KOLCDFICSA-N 1 0 230.271 0.231 20 30 BCEDRO CCc1ocnc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834489213 587757267 /nfs/dbraw/zinc/75/72/67/587757267.db2.gz KSYRRDHIAMJERF-SFYZADRCSA-N 1 0 234.259 0.078 20 30 BCEDRO CC(C)n1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834498817 587757342 /nfs/dbraw/zinc/75/73/42/587757342.db2.gz BUXWSVRAYDTJRF-ONGXEEELSA-N 1 0 247.302 0.305 20 30 BCEDRO CC(=O)c1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)o1 ZINC000834499493 587757417 /nfs/dbraw/zinc/75/74/17/587757417.db2.gz IVBZCAXDZRHOII-IUCAKERBSA-N 1 0 247.254 0.324 20 30 BCEDRO CC(C)CO[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834495726 587757425 /nfs/dbraw/zinc/75/74/25/587757425.db2.gz YRUKDZVZMZZLDI-MXWKQRLJSA-N 1 0 239.319 0.275 20 30 BCEDRO Cc1cccc(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834495668 587757483 /nfs/dbraw/zinc/75/74/83/587757483.db2.gz XNWLQVPYJBGOMN-STQMWFEESA-N 1 0 243.310 0.765 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C\c1ccsc1 ZINC000834499392 587757506 /nfs/dbraw/zinc/75/75/06/587757506.db2.gz IALPUWLWZQAZIK-JLVKAVFRSA-N 1 0 247.323 0.989 20 30 BCEDRO CC(C)c1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)no1 ZINC000834498881 587757527 /nfs/dbraw/zinc/75/75/27/587757527.db2.gz CNSAWMMWTUQLJD-WPRPVWTQSA-N 1 0 248.286 0.639 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000834505734 587757789 /nfs/dbraw/zinc/75/77/89/587757789.db2.gz NHFYMKFFYKOLNU-ONGXEEELSA-N 1 0 233.246 0.667 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1conc1C1CC1 ZINC000834500544 587757854 /nfs/dbraw/zinc/75/78/54/587757854.db2.gz ULORCEHZBIUJCP-PSASIEDQSA-N 1 0 246.270 0.393 20 30 BCEDRO COc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834505438 587757947 /nfs/dbraw/zinc/75/79/47/587757947.db2.gz KUQVKUUJFVKXOG-ZYHUDNBSSA-N 1 0 245.282 0.537 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1cccnc1 ZINC000834511483 587758058 /nfs/dbraw/zinc/75/80/58/587758058.db2.gz LMJNDBIALSXDEF-RYUDHWBXSA-N 1 0 244.298 0.242 20 30 BCEDRO Cc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834511303 587758089 /nfs/dbraw/zinc/75/80/89/587758089.db2.gz KIRFBTAWDJBMDF-CMPLNLGQSA-N 1 0 229.283 0.836 20 30 BCEDRO COc1ccccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834506686 587758103 /nfs/dbraw/zinc/75/81/03/587758103.db2.gz UZVRZPCAELMRSB-ONGXEEELSA-N 1 0 245.282 0.537 20 30 BCEDRO Cc1ccsc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834506697 587758150 /nfs/dbraw/zinc/75/81/50/587758150.db2.gz VGHLYIKPYVNJRA-RKDXNWHRSA-N 1 0 235.312 0.898 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCc1cccs1 ZINC000834512138 587758173 /nfs/dbraw/zinc/75/81/73/587758173.db2.gz SCWJPWHHCQUHBG-KOLCDFICSA-N 1 0 249.339 0.908 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCc1cccnc1 ZINC000834511482 587758216 /nfs/dbraw/zinc/75/82/16/587758216.db2.gz LMJNDBIALSXDEF-NWDGAFQWSA-N 1 0 244.298 0.242 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834507270 587758393 /nfs/dbraw/zinc/75/83/93/587758393.db2.gz ZFBMVFDVXDIYNS-NWDGAFQWSA-N 1 0 229.283 0.836 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1cccs1 ZINC000834512139 587758395 /nfs/dbraw/zinc/75/83/95/587758395.db2.gz SCWJPWHHCQUHBG-MWLCHTKSSA-N 1 0 249.339 0.908 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834507273 587758411 /nfs/dbraw/zinc/75/84/11/587758411.db2.gz ZFBMVFDVXDIYNS-VXGBXAGGSA-N 1 0 229.283 0.836 20 30 BCEDRO CC(C)OCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834517808 587758425 /nfs/dbraw/zinc/75/84/25/587758425.db2.gz ZJHXRBIBHHYTAQ-VHSXEESVSA-N 1 0 225.292 0.029 20 30 BCEDRO COCc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)o1 ZINC000834517582 587758472 /nfs/dbraw/zinc/75/84/72/587758472.db2.gz XHHDKDREQOSLCO-SCZZXKLOSA-N 1 0 249.270 0.267 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccsc1 ZINC000834512297 587758584 /nfs/dbraw/zinc/75/85/84/587758584.db2.gz UPJOPMAATNSECA-VHSXEESVSA-N 1 0 235.312 0.518 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccsc1 ZINC000834512296 587758690 /nfs/dbraw/zinc/75/86/90/587758690.db2.gz UPJOPMAATNSECA-UWVGGRQHSA-N 1 0 235.312 0.518 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000834846376 587768642 /nfs/dbraw/zinc/76/86/42/587768642.db2.gz URHWVBJEFYOUSM-SECBINFHSA-N 1 0 248.273 0.693 20 30 BCEDRO C[NH+]1CCN(NC=C2CC2(F)F)CC1 ZINC000834914808 587770662 /nfs/dbraw/zinc/77/06/62/587770662.db2.gz UHZUDSOTFAIFSM-QMMMGPOBSA-N 1 0 203.236 0.875 20 30 BCEDRO COc1cc(CC(C)N=NC(N)=[NH2+])ccn1 ZINC000834938636 587771930 /nfs/dbraw/zinc/77/19/30/587771930.db2.gz KRMRYOXKIZYUAC-UHFFFAOYSA-N 1 0 221.264 0.492 20 30 BCEDRO C[C@@H](CO)N[NH+]=C1CCCc2nc(N)ccc21 ZINC000834963191 587772917 /nfs/dbraw/zinc/77/29/17/587772917.db2.gz BSISJEUSIVSFKP-QMMMGPOBSA-N 1 0 234.303 0.675 20 30 BCEDRO C[C@@H]1CNC(NN=C2C[C@H](C)O[C@@H]2C)=[NH+]1 ZINC000834969915 587774264 /nfs/dbraw/zinc/77/42/64/587774264.db2.gz JRCOJQFQWIMGLD-GJMOJQLCSA-N 1 0 210.281 0.477 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C(=C)C[NH+](C)C ZINC000836843328 587839314 /nfs/dbraw/zinc/83/93/14/587839314.db2.gz BPGPWUONPPLNGY-MNOVXSKESA-N 1 0 224.304 0.564 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COCC1(C)C ZINC000837001991 587846755 /nfs/dbraw/zinc/84/67/55/587846755.db2.gz GZIURNVJUFIUHY-SNVBAGLBSA-N 1 0 226.320 0.645 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C)C(=O)OCC ZINC000837183391 587858440 /nfs/dbraw/zinc/85/84/40/587858440.db2.gz WPPVEHCGYFKIQQ-JTQLQIEISA-N 1 0 242.319 0.514 20 30 BCEDRO COCC[N@H+](C)CCNC(=O)C#CC(C)(C)C ZINC000837388185 587870180 /nfs/dbraw/zinc/87/01/80/587870180.db2.gz QLZBEOVWNLPIBL-UHFFFAOYSA-N 1 0 240.347 0.730 20 30 BCEDRO COCC[N@H+](C)CCNC(=O)C#CC1CC1 ZINC000837388160 587870224 /nfs/dbraw/zinc/87/02/24/587870224.db2.gz PKIAOANVJGACHZ-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C#CC1CC1 ZINC000837414759 587871082 /nfs/dbraw/zinc/87/10/82/587871082.db2.gz JWXBWJCJTGCBSU-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C[C@H]1CC[N@H+](CCNC(=O)C#CC2CC2)C1 ZINC000837447028 587873845 /nfs/dbraw/zinc/87/38/45/587873845.db2.gz BRVKPSZMQLSUPD-NSHDSACASA-N 1 0 220.316 0.858 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNC(=O)C#CC(C)(C)C ZINC000837491938 587877188 /nfs/dbraw/zinc/87/71/88/587877188.db2.gz IRMJVOAOGZGZCI-CYBMUJFWSA-N 1 0 240.347 0.465 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)C#CC3CC3)[C@H]2C1 ZINC000837665237 587888838 /nfs/dbraw/zinc/88/88/38/587888838.db2.gz CMIFBCJOKJNJDT-NEPJUHHUSA-N 1 0 218.300 0.562 20 30 BCEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)C#CC3CC3)C2)C1 ZINC000837667148 587889460 /nfs/dbraw/zinc/88/94/60/587889460.db2.gz CWESECZYLVTRPG-CQSZACIVSA-N 1 0 232.327 0.954 20 30 BCEDRO C#CC[C@H](NC(=O)[C@@H](CC)[NH+](C)C)C(=O)OC ZINC000837945045 587904144 /nfs/dbraw/zinc/90/41/44/587904144.db2.gz WFZBOGDMFKGWLM-VHSXEESVSA-N 1 0 240.303 0.008 20 30 BCEDRO C#CCNC(=S)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000840808566 587922851 /nfs/dbraw/zinc/92/28/51/587922851.db2.gz MLSOXMPKTLGWJV-FGWVZKOKSA-N 1 0 237.372 0.709 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCC1([NH+](C)C)CC1 ZINC000841452514 587955082 /nfs/dbraw/zinc/95/50/82/587955082.db2.gz BZMKGIQMFOORTD-LBPRGKRZSA-N 1 0 249.358 0.294 20 30 BCEDRO C#Cc1cncc(C(=O)NCC2([NH+](C)C)CC2)c1 ZINC000841455522 587955242 /nfs/dbraw/zinc/95/52/42/587955242.db2.gz TTXPJHGOZUOWDE-UHFFFAOYSA-N 1 0 243.310 0.887 20 30 BCEDRO NC(=[NH2+])NN=Cc1cnc(C2CC2)nc1 ZINC000841617958 587960126 /nfs/dbraw/zinc/96/01/26/587960126.db2.gz AJTXMVDJLOZKKT-UHFFFAOYSA-N 1 0 204.237 0.171 20 30 BCEDRO C[C@@H](O)CN(C)N=C1CC[N@@H+]2CCC[C@@H]12 ZINC000841649336 587966819 /nfs/dbraw/zinc/96/68/19/587966819.db2.gz GIKVFOBXEGKOHQ-KOLCDFICSA-N 1 0 211.309 0.523 20 30 BCEDRO C[C@@H](O)CN(C)N=C1C[C@@H](C)N(C2CC2)C1 ZINC000841654898 587967986 /nfs/dbraw/zinc/96/79/86/587967986.db2.gz YUWHAZNSIBEGOB-NXEZZACHSA-N 1 0 225.336 0.912 20 30 BCEDRO CN1CCc2cc(C=NNC3=[NH+]CCN3)ccc21 ZINC000841659692 587969573 /nfs/dbraw/zinc/96/95/73/587969573.db2.gz BSBVXGQPMZFIEA-UHFFFAOYSA-N 1 0 243.314 0.562 20 30 BCEDRO COc1cccc(C=NNC2=[NH+]CCN2)c1OC ZINC000841660731 587969588 /nfs/dbraw/zinc/96/95/88/587969588.db2.gz HCJHOZSRBNKUIT-UHFFFAOYSA-N 1 0 248.286 0.587 20 30 BCEDRO COCc1cccc(C=NNC2=[NH+]CCN2)c1 ZINC000841659598 587969776 /nfs/dbraw/zinc/96/97/76/587969776.db2.gz QQNMDEIJYNSVLK-UHFFFAOYSA-N 1 0 232.287 0.716 20 30 BCEDRO CCCn1nc(C)c(C=NNC2=[NH+]CCN2)c1C ZINC000841661993 587970118 /nfs/dbraw/zinc/97/01/18/587970118.db2.gz UZLRSYWERCIPTB-UHFFFAOYSA-N 1 0 248.334 0.793 20 30 BCEDRO C#CCSCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000841833046 587976708 /nfs/dbraw/zinc/97/67/08/587976708.db2.gz YJVWTCUFBKDVCQ-VIFPVBQESA-N 1 0 229.349 0.341 20 30 BCEDRO C#CCSCCNC(=O)N(C)CC[NH2+]C ZINC000841832001 587977017 /nfs/dbraw/zinc/97/70/17/587977017.db2.gz KLNWJUJCGSBBFI-UHFFFAOYSA-N 1 0 229.349 0.214 20 30 BCEDRO C#CCCCCNC(=O)NCC[NH2+]CCOC ZINC000841859218 587978691 /nfs/dbraw/zinc/97/86/91/587978691.db2.gz GNRUHGKBIXRPBV-UHFFFAOYSA-N 1 0 241.335 0.325 20 30 BCEDRO C#CCCCCNC(=O)N(C)CC[NH2+]C ZINC000841859475 587979021 /nfs/dbraw/zinc/97/90/21/587979021.db2.gz IFKSKMWNQDFOOC-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO C#CCOCCNC(=O)N[C@H](C)CCCC[NH3+] ZINC000841876042 587979834 /nfs/dbraw/zinc/97/98/34/587979834.db2.gz RRYLFGCJEGEQIK-LLVKDONJSA-N 1 0 241.335 0.453 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H]([NH3+])CC)[C@H]1CCCO1 ZINC000841879181 587979879 /nfs/dbraw/zinc/97/98/79/587979879.db2.gz LJANVDYCYJXTHW-GARJFASQSA-N 1 0 239.319 0.204 20 30 BCEDRO C#CCOCCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000841876200 587980045 /nfs/dbraw/zinc/98/00/45/587980045.db2.gz UNOVTYIUJNAICW-QWRGUYRKSA-N 1 0 239.319 0.028 20 30 BCEDRO C#CCOCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841877197 587980063 /nfs/dbraw/zinc/98/00/63/587980063.db2.gz YNTHAAANXHRZNN-NSHDSACASA-N 1 0 239.319 0.078 20 30 BCEDRO C#C[C@H](NC(=O)N(C)[C@H](C)C[NH3+])[C@@H]1CCCO1 ZINC000841880912 587980387 /nfs/dbraw/zinc/98/03/87/587980387.db2.gz KGGUEKINYGWCLB-VWYCJHECSA-N 1 0 239.319 0.156 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)CCC[NH3+])[C@@H]1CCCO1 ZINC000841881038 587980393 /nfs/dbraw/zinc/98/03/93/587980393.db2.gz MTQUSXAAOYTWJJ-MNOVXSKESA-N 1 0 239.319 0.157 20 30 BCEDRO C#CCCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000841884706 587980833 /nfs/dbraw/zinc/98/08/33/587980833.db2.gz FKLAZXHUYSCUIS-NSHDSACASA-N 1 0 223.320 0.923 20 30 BCEDRO C#CCCCNC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000841885866 587980899 /nfs/dbraw/zinc/98/08/99/587980899.db2.gz KNXBYRPIONMUAU-NSHDSACASA-N 1 0 223.320 0.699 20 30 BCEDRO C#CCCCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000841884704 587980980 /nfs/dbraw/zinc/98/09/80/587980980.db2.gz FKLAZXHUYSCUIS-LLVKDONJSA-N 1 0 223.320 0.923 20 30 BCEDRO C#CCCCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000841886460 587981539 /nfs/dbraw/zinc/98/15/39/587981539.db2.gz NPFXBKGXXILUKP-MRVPVSSYSA-N 1 0 233.262 0.682 20 30 BCEDRO C#Cc1ccc(CNC(=O)N(C)CC[NH3+])cc1 ZINC000841907127 587983502 /nfs/dbraw/zinc/98/35/02/587983502.db2.gz JOWWRFOFOOCXHQ-UHFFFAOYSA-N 1 0 231.299 0.768 20 30 BCEDRO C=CCONC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000841912832 587984274 /nfs/dbraw/zinc/98/42/74/587984274.db2.gz AKZFLZOWQQFPSV-IUCAKERBSA-N 1 0 213.281 0.401 20 30 BCEDRO C=CCONC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000841912894 587984672 /nfs/dbraw/zinc/98/46/72/587984672.db2.gz DBDXBXGRBNLRPE-GFCCVEGCSA-N 1 0 239.319 0.889 20 30 BCEDRO C=CCONC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000841913493 587984712 /nfs/dbraw/zinc/98/47/12/587984712.db2.gz OEUNIUWVFAZXBR-LBPRGKRZSA-N 1 0 239.319 0.889 20 30 BCEDRO C=CCONC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000841913001 587984741 /nfs/dbraw/zinc/98/47/41/587984741.db2.gz FQNQTDMETPHFNK-ZJUUUORDSA-N 1 0 227.308 0.921 20 30 BCEDRO C=CCONC(=O)N[C@H](C[NH3+])CC(C)C ZINC000841913809 587984842 /nfs/dbraw/zinc/98/48/42/587984842.db2.gz UKBLYGCHTWQGBR-VIFPVBQESA-N 1 0 215.297 0.777 20 30 BCEDRO C=CCONC(=O)N1CC[C@@]2(CC[NH2+]C2)C1 ZINC000841913818 587984945 /nfs/dbraw/zinc/98/49/45/587984945.db2.gz VDBINLLSVOHVKT-LLVKDONJSA-N 1 0 225.292 0.499 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000841926299 587985312 /nfs/dbraw/zinc/98/53/12/587985312.db2.gz FZZYNJHNWOOUNS-HBNTYKKESA-N 1 0 223.320 0.695 20 30 BCEDRO C#CCN(C(=O)NC[C@H]1CCCC[NH2+]1)C1CC1 ZINC000841921518 587985486 /nfs/dbraw/zinc/98/54/86/587985486.db2.gz KWCNLXOOWPSSFR-LLVKDONJSA-N 1 0 235.331 0.936 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000841939001 587985714 /nfs/dbraw/zinc/98/57/14/587985714.db2.gz SOVASXVRAZAVRC-UWVGGRQHSA-N 1 0 209.293 0.307 20 30 BCEDRO C#CCCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000841927789 587985803 /nfs/dbraw/zinc/98/58/03/587985803.db2.gz NTVAIEIJWTYVPZ-GHMZBOCLSA-N 1 0 223.320 0.697 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H](C[NH3+])CCCC ZINC000841957892 587986689 /nfs/dbraw/zinc/98/66/89/587986689.db2.gz BOSZWWPMBSUOQE-NXEZZACHSA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841981037 587987575 /nfs/dbraw/zinc/98/75/75/587987575.db2.gz PCZHEAAEZZWGLN-GUBZILKMSA-N 1 0 209.293 0.577 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000841980743 587987634 /nfs/dbraw/zinc/98/76/34/587987634.db2.gz FAXIAPWGVUTYQG-STQMWFEESA-N 1 0 247.342 0.924 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841978730 587987757 /nfs/dbraw/zinc/98/77/57/587987757.db2.gz PJADKSYNNRMHMQ-VHSXEESVSA-N 1 0 209.293 0.449 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841980742 587987767 /nfs/dbraw/zinc/98/77/67/587987767.db2.gz FAXIAPWGVUTYQG-QWHCGFSZSA-N 1 0 247.342 0.924 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H](C)[NH3+] ZINC000841984838 587988234 /nfs/dbraw/zinc/98/82/34/587988234.db2.gz DYXSFEINDPTYSW-JTQLQIEISA-N 1 0 207.277 0.002 20 30 BCEDRO C#CCCNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000841995008 587988374 /nfs/dbraw/zinc/98/83/74/587988374.db2.gz GSDBRSKFERDIHC-GFCCVEGCSA-N 1 0 239.319 0.078 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC/C=C\C[NH3+] ZINC000841993953 587988490 /nfs/dbraw/zinc/98/84/90/587988490.db2.gz CBKGTRJTIPEKMC-OMMCCPJFSA-N 1 0 209.293 0.602 20 30 BCEDRO C#CCCNC(=O)N[C@@H](C)CCCC[NH3+] ZINC000841996904 587988590 /nfs/dbraw/zinc/98/85/90/587988590.db2.gz CEJQMBRBAAUSBH-JTQLQIEISA-N 1 0 211.309 0.826 20 30 BCEDRO C#CCOc1ccccc1C[NH2+][C@H](CO)[C@@H](C)O ZINC000842220817 588007462 /nfs/dbraw/zinc/00/74/62/588007462.db2.gz IFYXMVILKXOCFY-DGCLKSJQSA-N 1 0 249.310 0.530 20 30 BCEDRO CC(C)Cn1nccc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000842530024 588033678 /nfs/dbraw/zinc/03/36/78/588033678.db2.gz NFEKGAFERPMOHS-SNVBAGLBSA-N 1 0 248.334 0.810 20 30 BCEDRO CCN(CCO)[NH+]=Cc1cnc(N(C)C)n1C ZINC000842538681 588036945 /nfs/dbraw/zinc/03/69/45/588036945.db2.gz SOXCDFUQQCFISU-UHFFFAOYSA-N 1 0 239.323 0.134 20 30 BCEDRO C=CCn1cc(-c2nc([C@@H](C)C[NH2+]C)no2)nn1 ZINC000842580394 588044006 /nfs/dbraw/zinc/04/40/06/588044006.db2.gz GJDSJGZTGSXDFE-QMMMGPOBSA-N 1 0 248.290 0.837 20 30 BCEDRO C#CC1CC[NH+](CN2C[C@H](OC)CC2=O)CC1 ZINC000842634277 588047764 /nfs/dbraw/zinc/04/77/64/588047764.db2.gz RTMNAVVEZXAMRI-GFCCVEGCSA-N 1 0 236.315 0.536 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)C[C@@H](C)CC ZINC000843074111 588079442 /nfs/dbraw/zinc/07/94/42/588079442.db2.gz BZHOECZHAMPUOD-RYUDHWBXSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CC[C@H](CO)[NH2+]CCC(=O)Nc1ccccc1 ZINC000843077084 588079858 /nfs/dbraw/zinc/07/98/58/588079858.db2.gz LRSPBDNBPIUIRH-CYBMUJFWSA-N 1 0 246.310 0.989 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000843102514 588081403 /nfs/dbraw/zinc/08/14/03/588081403.db2.gz XKWMGFWPJMBZNU-LSDHHAIUSA-N 1 0 247.338 0.954 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000843102511 588081512 /nfs/dbraw/zinc/08/15/12/588081512.db2.gz XKWMGFWPJMBZNU-CABCVRRESA-N 1 0 247.338 0.954 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)Cc1ccccc1 ZINC000843102513 588081645 /nfs/dbraw/zinc/08/16/45/588081645.db2.gz XKWMGFWPJMBZNU-HUUCEWRRSA-N 1 0 247.338 0.954 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+][C@@H]2CC[C@H]2O)cc1 ZINC000843113941 588082391 /nfs/dbraw/zinc/08/23/91/588082391.db2.gz CLPOZQBDFCYFCM-JHJVBQTASA-N 1 0 232.283 0.705 20 30 BCEDRO C[C@@H](CCO)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000843400128 588106161 /nfs/dbraw/zinc/10/61/61/588106161.db2.gz NMECOHFMUILFLF-VIFPVBQESA-N 1 0 245.286 0.461 20 30 BCEDRO C[C@@H](O)C[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000843402921 588106312 /nfs/dbraw/zinc/10/63/12/588106312.db2.gz RBEMDBUUIWNYLX-SECBINFHSA-N 1 0 245.286 0.414 20 30 BCEDRO C#Cc1ccc(C[NH+]2CC(C)(C(N)=O)C2)cc1 ZINC000843416802 588107393 /nfs/dbraw/zinc/10/73/93/588107393.db2.gz YFQSQFLEMMEFGF-UHFFFAOYSA-N 1 0 228.295 0.975 20 30 BCEDRO C=C[C@H](C)NC(=O)c1[nH]nc2c1C[NH2+]CC2 ZINC000843440831 588110188 /nfs/dbraw/zinc/11/01/88/588110188.db2.gz GTRVDYTZPTWSSX-ZETCQYMHSA-N 1 0 220.276 0.360 20 30 BCEDRO C=CC[C@@H](C)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843442237 588110794 /nfs/dbraw/zinc/11/07/94/588110794.db2.gz LSDIHOFTHNVEGT-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(C)[nH]1 ZINC000843459113 588111679 /nfs/dbraw/zinc/11/16/79/588111679.db2.gz BVQCMWRBRLXKMA-MWLCHTKSSA-N 1 0 232.287 0.473 20 30 BCEDRO CCC/C(C)=C/C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843458885 588111798 /nfs/dbraw/zinc/11/17/98/588111798.db2.gz AVPCVUMAEQEOAA-WJHWTWHCSA-N 1 0 221.304 0.961 20 30 BCEDRO Cc1ccc(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)s1 ZINC000843461035 588112357 /nfs/dbraw/zinc/11/23/57/588112357.db2.gz JIRTVGSFZXCTEF-MWLCHTKSSA-N 1 0 249.339 0.827 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C/c1ccco1 ZINC000843461644 588112438 /nfs/dbraw/zinc/11/24/38/588112438.db2.gz MNLTWOUBNXTEJM-ZVECUQNESA-N 1 0 231.255 0.521 20 30 BCEDRO COCC1(CC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000843460306 588112455 /nfs/dbraw/zinc/11/24/55/588112455.db2.gz NORIRDLEZBMREO-NXEZZACHSA-N 1 0 237.303 0.031 20 30 BCEDRO Cc1[nH]ccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843461522 588112459 /nfs/dbraw/zinc/11/24/59/588112459.db2.gz VEWJFFOBILECKB-WCBMZHEXSA-N 1 0 218.260 0.165 20 30 BCEDRO CON=Cc1ccc(C(=O)N[C@H](C)C[NH3+])cc1 ZINC000843462889 588113166 /nfs/dbraw/zinc/11/31/66/588113166.db2.gz UGSTVLVESPEJPD-SECBINFHSA-N 1 0 235.287 0.744 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)C2(F)CC2)CC1 ZINC000843572105 588124829 /nfs/dbraw/zinc/12/48/29/588124829.db2.gz CQAZUABVVRLSPY-UHFFFAOYSA-N 1 0 225.267 0.593 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CO[C@H](C)C1 ZINC000844098427 588167494 /nfs/dbraw/zinc/16/74/94/588167494.db2.gz BJRVPMYRUKBJNH-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1CC=CC1 ZINC000844194998 588173130 /nfs/dbraw/zinc/17/31/30/588173130.db2.gz OPWQUPBVFZTAMA-ZJUUUORDSA-N 1 0 205.261 0.180 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CCCN(C=O)CC1 ZINC000844334279 588185627 /nfs/dbraw/zinc/18/56/27/588185627.db2.gz WRAOALWBOWILRL-LLVKDONJSA-N 1 0 209.293 0.843 20 30 BCEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)NCCC#N ZINC000844376494 588188376 /nfs/dbraw/zinc/18/83/76/588188376.db2.gz CWJFLEGMFIQIMD-GHMZBOCLSA-N 1 0 241.335 0.403 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@]2(CC2(F)F)C1 ZINC000844433034 588192223 /nfs/dbraw/zinc/19/22/23/588192223.db2.gz CLRGNSKFZVFONN-LLVKDONJSA-N 1 0 242.269 0.857 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccns2)N1 ZINC000844590241 588205808 /nfs/dbraw/zinc/20/58/08/588205808.db2.gz NQWKPLFBADSHAU-LURJTMIESA-N 1 0 209.278 0.414 20 30 BCEDRO C[C@@H]1CNC(NN=C2CO[C@@H](C)[C@H]2C)=[NH+]1 ZINC000844589737 588206100 /nfs/dbraw/zinc/20/61/00/588206100.db2.gz JNKAIJOADOAUAH-PRJMDXOYSA-N 1 0 210.281 0.335 20 30 BCEDRO C[C@]1(C#N)CCCN(C(=O)[C@@H](O)c2cnc[nH]2)C1 ZINC000867363196 588213122 /nfs/dbraw/zinc/21/31/22/588213122.db2.gz MDWMDJPZYIERIH-CMPLNLGQSA-N 1 0 248.286 0.595 20 30 BCEDRO C=C(C)CONC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000845592348 588234413 /nfs/dbraw/zinc/23/44/13/588234413.db2.gz BIEGUQZRYJYLLH-JTQLQIEISA-N 1 0 227.308 0.888 20 30 BCEDRO C=C(C)CONC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000845609875 588235840 /nfs/dbraw/zinc/23/58/40/588235840.db2.gz BTRAUEHIKVRMDK-MNOVXSKESA-N 1 0 239.319 0.840 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NCC[N@@H+](C)CCOC ZINC000845642351 588239614 /nfs/dbraw/zinc/23/96/14/588239614.db2.gz PKAXDQOANGWPCB-SNVBAGLBSA-N 1 0 245.323 0.370 20 30 BCEDRO N#CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000846161629 588259087 /nfs/dbraw/zinc/25/90/87/588259087.db2.gz FLOARUXNCWMIIP-UHFFFAOYSA-N 1 0 224.308 0.589 20 30 BCEDRO C=C[C@H](C)ONC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000846555789 588277206 /nfs/dbraw/zinc/27/72/06/588277206.db2.gz ZESNMBYUBIOMQP-IVZWLZJFSA-N 1 0 212.293 0.949 20 30 BCEDRO CON=CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000846615056 588279610 /nfs/dbraw/zinc/27/96/10/588279610.db2.gz XGCUEGUWIAYAIL-UHFFFAOYSA-N 1 0 227.308 0.563 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000846678643 588282193 /nfs/dbraw/zinc/28/21/93/588282193.db2.gz WIANGUCSJKNZIK-KSSYENDESA-N 1 0 245.326 0.816 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1C[C@@H]2C=C[C@H]1CC2 ZINC000846678646 588282269 /nfs/dbraw/zinc/28/22/69/588282269.db2.gz WIANGUCSJKNZIK-SJHCENCUSA-N 1 0 245.326 0.816 20 30 BCEDRO N#Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000846679176 588282335 /nfs/dbraw/zinc/28/23/35/588282335.db2.gz YQBWOINGJUEGOO-NEPJUHHUSA-N 1 0 240.266 0.400 20 30 BCEDRO C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)n1ccnc1 ZINC000846677491 588282339 /nfs/dbraw/zinc/28/23/39/588282339.db2.gz NEEXNCGNTHROET-OUAUKWLOSA-N 1 0 247.302 0.062 20 30 BCEDRO C=C1CCN(C(=O)c2[nH]nc3c2C[NH2+]CC3)CC1 ZINC000846684314 588282639 /nfs/dbraw/zinc/28/26/39/588282639.db2.gz PVFRIZPUGLFYPF-UHFFFAOYSA-N 1 0 246.314 0.848 20 30 BCEDRO C=C1CCN(C(=O)[C@@]2(F)CC[NH2+]C2)CC1 ZINC000846684317 588282662 /nfs/dbraw/zinc/28/26/62/588282662.db2.gz PYQXTTPFGZHHCP-LLVKDONJSA-N 1 0 212.268 0.867 20 30 BCEDRO C#CCNC(=O)C1([NH3+])Cc2ccccc2C1 ZINC000846684832 588282877 /nfs/dbraw/zinc/28/28/77/588282877.db2.gz TZLBUYUAORSKGJ-UHFFFAOYSA-N 1 0 214.268 0.232 20 30 BCEDRO C#CCCC[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000846921321 588296758 /nfs/dbraw/zinc/29/67/58/588296758.db2.gz SOYYFYAILNDRAE-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO CON1CC[NH+](CCCSCC#N)CC1 ZINC000846974737 588299377 /nfs/dbraw/zinc/29/93/77/588299377.db2.gz DEEJDKUBSSMUFZ-UHFFFAOYSA-N 1 0 229.349 0.812 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@](C)(O)C(C)=O)C1 ZINC000847019427 588301997 /nfs/dbraw/zinc/30/19/97/588301997.db2.gz QFAQXCCZWASRTL-NEPJUHHUSA-N 1 0 209.289 0.672 20 30 BCEDRO C#C[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000847023059 588303372 /nfs/dbraw/zinc/30/33/72/588303372.db2.gz AOKMBIATZMSGDZ-ZDUSSCGKSA-N 1 0 222.332 0.664 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)NCCC#N)C1 ZINC000847024884 588303737 /nfs/dbraw/zinc/30/37/37/588303737.db2.gz UGTPEIOGPHMWSJ-LLVKDONJSA-N 1 0 219.288 0.361 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000847026562 588304023 /nfs/dbraw/zinc/30/40/23/588304023.db2.gz QATDOSFPUVHYML-MNOVXSKESA-N 1 0 206.289 0.562 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000847026567 588304070 /nfs/dbraw/zinc/30/40/70/588304070.db2.gz QATDOSFPUVHYML-WDEREUQCSA-N 1 0 206.289 0.562 20 30 BCEDRO C#C[C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000847026378 588304081 /nfs/dbraw/zinc/30/40/81/588304081.db2.gz YILKWOOKJCVHJQ-KBPBESRZSA-N 1 0 236.359 0.788 20 30 BCEDRO C#C[C@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000847026380 588304109 /nfs/dbraw/zinc/30/41/09/588304109.db2.gz YILKWOOKJCVHJQ-UONOGXRCSA-N 1 0 236.359 0.788 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC2CC2)C1 ZINC000847029162 588304169 /nfs/dbraw/zinc/30/41/69/588304169.db2.gz LLUMHBBLMCVTHH-GHMZBOCLSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000847029268 588304251 /nfs/dbraw/zinc/30/42/51/588304251.db2.gz MGMJCBXNOODQAH-WDEREUQCSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CC)[C@@H]1CCCCO1 ZINC000847090788 588306167 /nfs/dbraw/zinc/30/61/67/588306167.db2.gz SKSUBLPUZAWREZ-NEPJUHHUSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCN(CC#N)C(=O)C1([NH+](C)C)CC1 ZINC000847170994 588308537 /nfs/dbraw/zinc/30/85/37/588308537.db2.gz GSIRLDASPUHPND-UHFFFAOYSA-N 1 0 205.261 0.066 20 30 BCEDRO C#CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000847496229 588314741 /nfs/dbraw/zinc/31/47/41/588314741.db2.gz LAWMRMGXYWRFPY-UHFFFAOYSA-N 1 0 234.303 0.198 20 30 BCEDRO C#CCCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000847531885 588315855 /nfs/dbraw/zinc/31/58/55/588315855.db2.gz IRKIDTPMKXVNRD-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C#CCCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000847531457 588315978 /nfs/dbraw/zinc/31/59/78/588315978.db2.gz BQVZVRDGPTUXEQ-UHFFFAOYSA-N 1 0 248.330 0.588 20 30 BCEDRO C#CCOCCNC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000847718807 588327467 /nfs/dbraw/zinc/32/74/67/588327467.db2.gz AQTSNOUUEFXYDA-LLVKDONJSA-N 1 0 224.304 0.094 20 30 BCEDRO O=C(CCCC[NH+]1CCCC1)NCC#CCO ZINC000848040877 588349400 /nfs/dbraw/zinc/34/94/00/588349400.db2.gz RCEZTYVZWRILNH-UHFFFAOYSA-N 1 0 238.331 0.364 20 30 BCEDRO C#CCCCC(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000848305737 588371498 /nfs/dbraw/zinc/37/14/98/588371498.db2.gz GIPOSELEZGUVRQ-NWDGAFQWSA-N 1 0 236.315 0.067 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnc(Cl)n2C)N1 ZINC000848408608 588379297 /nfs/dbraw/zinc/37/92/97/588379297.db2.gz UBCYBAWBNIFTRP-ZCFIWIBFSA-N 1 0 240.698 0.345 20 30 BCEDRO N#CCCCCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000848427674 588383622 /nfs/dbraw/zinc/38/36/22/588383622.db2.gz ORVAOMFENBCHCF-MNOVXSKESA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCCn1cc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)nn1 ZINC000848599494 588401287 /nfs/dbraw/zinc/40/12/87/588401287.db2.gz KUXWMLYUTNLKKP-YPMHNXCESA-N 1 0 247.346 0.648 20 30 BCEDRO C[NH+]=C(NCCCO)NCc1ccco1 ZINC000848980386 588423234 /nfs/dbraw/zinc/42/32/34/588423234.db2.gz ICUDHWCWLNIMKC-UHFFFAOYSA-N 1 0 211.265 0.327 20 30 BCEDRO COC(=O)CCCCCNC1=[NH+]C[C@@H](C)N1 ZINC000848981662 588424252 /nfs/dbraw/zinc/42/42/52/588424252.db2.gz NBUFFWVMIZQNPL-SECBINFHSA-N 1 0 227.308 0.657 20 30 BCEDRO CN1CC[NH+]=C1NCCc1ccc2c(c1)OCO2 ZINC000848982732 588424438 /nfs/dbraw/zinc/42/44/38/588424438.db2.gz HSAZNNQSNUAHOD-UHFFFAOYSA-N 1 0 247.298 0.849 20 30 BCEDRO N#Cc1cccnc1NCCNC(=[NH2+])NC1CC1 ZINC000848989645 588426568 /nfs/dbraw/zinc/42/65/68/588426568.db2.gz NMASCFLLKZAZNA-UHFFFAOYSA-N 1 0 244.302 0.642 20 30 BCEDRO CNC(=[NH2+])NCCNc1ncccc1C#N ZINC000848989541 588426574 /nfs/dbraw/zinc/42/65/74/588426574.db2.gz JKZPFABRRFPROO-UHFFFAOYSA-N 1 0 218.264 0.109 20 30 BCEDRO C[NH+]=C(NCCc1c(C)nn(C)c1C)NC1CC1 ZINC000848993763 588428131 /nfs/dbraw/zinc/42/81/31/588428131.db2.gz KCKGJTVSPFCRFF-UHFFFAOYSA-N 1 0 249.362 0.907 20 30 BCEDRO C[NH+]=C(NCCCCn1ccnc1)NC1CC1 ZINC000848995575 588428562 /nfs/dbraw/zinc/42/85/62/588428562.db2.gz SFBKBZRJDMRPMY-UHFFFAOYSA-N 1 0 235.335 0.991 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](C)Cn1cccn1 ZINC000848994592 588428631 /nfs/dbraw/zinc/42/86/31/588428631.db2.gz QMKOZJGLRUPFLW-JTQLQIEISA-N 1 0 221.308 0.819 20 30 BCEDRO COC(=O)CCCCNC1=[NH+]C[C@H](C)N1 ZINC000848998814 588429858 /nfs/dbraw/zinc/42/98/58/588429858.db2.gz ZYEFXUKSUHWWDH-QMMMGPOBSA-N 1 0 213.281 0.267 20 30 BCEDRO C[C@@H]1CN(CC[NH+]=C(N(C)C)N(C)C)CCO1 ZINC000848999467 588430231 /nfs/dbraw/zinc/43/02/31/588430231.db2.gz JEOSSEUUVBCKOO-LLVKDONJSA-N 1 0 242.367 0.186 20 30 BCEDRO CC[C@@](C)(O)C[NH+]=C(N(C)C)N(C)C ZINC000848999478 588430346 /nfs/dbraw/zinc/43/03/46/588430346.db2.gz KFLGEKHEOXGNDP-SNVBAGLBSA-N 1 0 201.314 0.627 20 30 BCEDRO C=CCNC(=[NH2+])NCCCNc1ncccn1 ZINC000849000076 588430452 /nfs/dbraw/zinc/43/04/52/588430452.db2.gz DBQBNIRIWUCCRT-UHFFFAOYSA-N 1 0 234.307 0.579 20 30 BCEDRO C[NH+]=C(NCCN1CCO[C@H](C)C1)NC1CC1 ZINC000848999605 588430534 /nfs/dbraw/zinc/43/05/34/588430534.db2.gz VEOYSCMLCHBLEJ-SNVBAGLBSA-N 1 0 240.351 0.035 20 30 BCEDRO C[NH+]=C(NCCNC(=O)C(C)(C)C)NC1CC1 ZINC000849001121 588430757 /nfs/dbraw/zinc/43/07/57/588430757.db2.gz YVVNBIPUAVPLNC-UHFFFAOYSA-N 1 0 240.351 0.476 20 30 BCEDRO C[NH+]=C(NCCC(=O)NC(C)(C)C)NC1CC1 ZINC000849003504 588431103 /nfs/dbraw/zinc/43/11/03/588431103.db2.gz PMLBDIXOUGVGEC-UHFFFAOYSA-N 1 0 240.351 0.619 20 30 BCEDRO CCn1nc(C)c(CNC(NC)=[NH+]C)c1C ZINC000849002896 588431227 /nfs/dbraw/zinc/43/12/27/588431227.db2.gz XPVJKTDCROMYGE-UHFFFAOYSA-N 1 0 223.324 0.815 20 30 BCEDRO C[NH+]=C(NCCOC1CCC1)NC1CC1 ZINC000849009213 588434231 /nfs/dbraw/zinc/43/42/31/588434231.db2.gz LDVJAAUJDLEUNZ-UHFFFAOYSA-N 1 0 211.309 0.883 20 30 BCEDRO CCNC(NCc1nnnn1C1CC1)=[NH+]CC ZINC000849010806 588435201 /nfs/dbraw/zinc/43/52/01/588435201.db2.gz LHXSFBJBKYCHDO-UHFFFAOYSA-N 1 0 237.311 0.083 20 30 BCEDRO CC(C)NC(=[NH2+])NCCCc1[nH]nc(N)c1C#N ZINC000849011601 588435506 /nfs/dbraw/zinc/43/55/06/588435506.db2.gz KXEZHBNGZYCYSM-UHFFFAOYSA-N 1 0 249.322 0.319 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@]1(CCO)CCOC1 ZINC000849013120 588435819 /nfs/dbraw/zinc/43/58/19/588435819.db2.gz BSSKZTLYBDHBPA-GFCCVEGCSA-N 1 0 241.335 0.466 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1ccnc(N(C)C)n1 ZINC000849015642 588436574 /nfs/dbraw/zinc/43/65/74/588436574.db2.gz HFGYSDOZEQGOHW-UHFFFAOYSA-N 1 0 248.334 0.733 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])N[C@H](C)COC ZINC000849015629 588436677 /nfs/dbraw/zinc/43/66/77/588436677.db2.gz FYFIFMFQHHXVPM-ZJUUUORDSA-N 1 0 229.324 0.320 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])N1CCOCC1 ZINC000849016036 588437007 /nfs/dbraw/zinc/43/70/07/588437007.db2.gz WTCAGVWQKTVMIU-JTQLQIEISA-N 1 0 227.308 0.028 20 30 BCEDRO Cc1nnc(C[NH+]=C(N(C)C)N(C)C)s1 ZINC000849016442 588437036 /nfs/dbraw/zinc/43/70/36/588437036.db2.gz COGIFMWDCYIMNF-UHFFFAOYSA-N 1 0 227.337 0.826 20 30 BCEDRO C=CC[C@H](CO)CNC1=[NH+]CCCN1C ZINC000849016293 588437149 /nfs/dbraw/zinc/43/71/49/588437149.db2.gz ZFGLFPFQTNGNSZ-JTQLQIEISA-N 1 0 211.309 0.452 20 30 BCEDRO C=CC[C@@H](CO)CNC1=[NH+]CCCN1C ZINC000849016294 588437162 /nfs/dbraw/zinc/43/71/62/588437162.db2.gz ZFGLFPFQTNGNSZ-SNVBAGLBSA-N 1 0 211.309 0.452 20 30 BCEDRO C[NH+]=C(NCc1nnc(C)s1)NC1CC1 ZINC000849016479 588437173 /nfs/dbraw/zinc/43/71/73/588437173.db2.gz ICFWCKQOWDRURQ-UHFFFAOYSA-N 1 0 225.321 0.674 20 30 BCEDRO CNC(NCc1ccc2c(c1)C(=O)NCC2)=[NH+]C ZINC000849018451 588438064 /nfs/dbraw/zinc/43/80/64/588438064.db2.gz WGSJRUGYRFIQTH-UHFFFAOYSA-N 1 0 246.314 0.267 20 30 BCEDRO CC(C)OC(=O)CCCNC1=[NH+]CCN1C ZINC000849019458 588438308 /nfs/dbraw/zinc/43/83/08/588438308.db2.gz PQTVMCWXGDOUHV-UHFFFAOYSA-N 1 0 227.308 0.609 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000849020892 588438910 /nfs/dbraw/zinc/43/89/10/588438910.db2.gz SNUBBPVPIYSYIS-UHFFFAOYSA-N 1 0 217.276 0.976 20 30 BCEDRO C[NH+]=C(NCCC1(O)CCOCC1)NC1CC1 ZINC000849025696 588440585 /nfs/dbraw/zinc/44/05/85/588440585.db2.gz CHCKKONBRFPURT-UHFFFAOYSA-N 1 0 241.335 0.245 20 30 BCEDRO CNC(NCc1ccc(CC(N)=O)cc1)=[NH+]C ZINC000849029166 588441810 /nfs/dbraw/zinc/44/18/10/588441810.db2.gz JYRZNQLLQGRABW-UHFFFAOYSA-N 1 0 234.303 0.009 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(C#N)c(OC)c1 ZINC000849029570 588441900 /nfs/dbraw/zinc/44/19/00/588441900.db2.gz VWBDUSIQYNZCQO-UHFFFAOYSA-N 1 0 218.260 0.811 20 30 BCEDRO C[NH+]=C(NCc1cnccc1OC)NC1CC1 ZINC000849030913 588442674 /nfs/dbraw/zinc/44/26/74/588442674.db2.gz HNGZGJYLIVIZAB-UHFFFAOYSA-N 1 0 234.303 0.918 20 30 BCEDRO C[NH+]=C(NCCc1nccnc1C)NC1CC1 ZINC000849033146 588443760 /nfs/dbraw/zinc/44/37/60/588443760.db2.gz CYTLDPKLUGKBHS-UHFFFAOYSA-N 1 0 233.319 0.655 20 30 BCEDRO C[NH+]=C(NC[C@H](OC)C1CC1)NC1CC1 ZINC000849033736 588444019 /nfs/dbraw/zinc/44/40/19/588444019.db2.gz XQTBXFAPEZLBQU-JTQLQIEISA-N 1 0 211.309 0.739 20 30 BCEDRO CCn1ccnc1CNC(NC1CC1)=[NH+]C ZINC000849036111 588445258 /nfs/dbraw/zinc/44/52/58/588445258.db2.gz LXMFSCZNNOMBQK-UHFFFAOYSA-N 1 0 221.308 0.730 20 30 BCEDRO C#CCOc1ccc(CNC(NC)=[NH+]C)cc1 ZINC000849037564 588445764 /nfs/dbraw/zinc/44/57/64/588445764.db2.gz PKPHOLPPMOFXML-UHFFFAOYSA-N 1 0 231.299 0.993 20 30 BCEDRO C[NH+]=C(NCc1ccco1)N[C@H]1C[C@@H](O)C1 ZINC000849038018 588446412 /nfs/dbraw/zinc/44/64/12/588446412.db2.gz HJAHMEYYSSBKDE-DTORHVGOSA-N 1 0 223.276 0.468 20 30 BCEDRO C[NH+]=C(NCCc1cn(C)cn1)NC1CC1 ZINC000849040323 588447633 /nfs/dbraw/zinc/44/76/33/588447633.db2.gz SYOCIJGKYRAZQM-UHFFFAOYSA-N 1 0 221.308 0.290 20 30 BCEDRO CCn1ccc(CNC(NC2CC2)=[NH+]C)n1 ZINC000849041499 588448081 /nfs/dbraw/zinc/44/80/81/588448081.db2.gz HQBRTRARIIKVQG-UHFFFAOYSA-N 1 0 221.308 0.730 20 30 BCEDRO CNC(NCC(C)(C)OCC1CC1)=[NH+]C ZINC000849042175 588448268 /nfs/dbraw/zinc/44/82/68/588448268.db2.gz BDPYDBWNPLALPG-UHFFFAOYSA-N 1 0 213.325 0.986 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCCNC1=O ZINC000849041785 588448439 /nfs/dbraw/zinc/44/84/39/588448439.db2.gz WMQXJFOXXLSSHX-SECBINFHSA-N 1 0 224.308 0.203 20 30 BCEDRO CCS(=O)(=O)CCC[NH+]=C(N(C)C)N(C)C ZINC000849042841 588448938 /nfs/dbraw/zinc/44/89/38/588448938.db2.gz FOLUURJLFFGRDB-UHFFFAOYSA-N 1 0 249.380 0.290 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CC[C@H](C(N)=O)CC1 ZINC000849044109 588449014 /nfs/dbraw/zinc/44/90/14/588449014.db2.gz UNAAXJKMEIUQRT-MGCOHNPYSA-N 1 0 238.335 0.578 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(CO)cc1 ZINC000849046104 588450030 /nfs/dbraw/zinc/45/00/30/588450030.db2.gz VVFZXYPBXPSTKP-UHFFFAOYSA-N 1 0 219.288 0.979 20 30 BCEDRO N#CC1(CNC(=[NH2+])N2CCOCC2)CCCC1 ZINC000849046717 588450204 /nfs/dbraw/zinc/45/02/04/588450204.db2.gz JZBUYFFUQNUHOR-UHFFFAOYSA-N 1 0 236.319 0.927 20 30 BCEDRO CN(C)C(=[NH+][C@H](CO)CCF)N(C)C ZINC000849048860 588451522 /nfs/dbraw/zinc/45/15/22/588451522.db2.gz MELPGJXMZWXHLH-QMMMGPOBSA-N 1 0 205.277 0.186 20 30 BCEDRO CCNC(N[C@H](CO)CCF)=[NH+]CC ZINC000849050290 588451782 /nfs/dbraw/zinc/45/17/82/588451782.db2.gz YWQYTYMKGSYPCU-QMMMGPOBSA-N 1 0 205.277 0.282 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC[C@@]1(O)CCCOC1 ZINC000849049501 588451578 /nfs/dbraw/zinc/45/15/78/588451578.db2.gz ROXQZIKAZAUVQW-LBPRGKRZSA-N 1 0 241.335 0.608 20 30 BCEDRO C=C[C@](C)(O)c1cn(CC[NH+](C)C)nn1 ZINC000849136104 588453671 /nfs/dbraw/zinc/45/36/71/588453671.db2.gz AWKLVYTVAIWNOL-JTQLQIEISA-N 1 0 210.281 0.233 20 30 BCEDRO C=C[C@](C)(O)c1cn(CCCCC[NH3+])nn1 ZINC000849144987 588455463 /nfs/dbraw/zinc/45/54/63/588455463.db2.gz PHOSSCGGZDDVJU-NSHDSACASA-N 1 0 224.308 0.801 20 30 BCEDRO CNC(NC[C@@H](CC(C)C)C(=O)OC)=[NH+]C ZINC000849214581 588461374 /nfs/dbraw/zinc/46/13/74/588461374.db2.gz SFWKMLGUTLVGHC-SECBINFHSA-N 1 0 229.324 0.617 20 30 BCEDRO CNC(NCC[S@@](=O)CC(F)(F)F)=[NH+]C ZINC000849215063 588461916 /nfs/dbraw/zinc/46/19/16/588461916.db2.gz LIJQMXDNEOVMAW-OAHLLOKOSA-N 1 0 245.270 0.092 20 30 BCEDRO CCNC(NC[C@H](CO)CC1CC1)=[NH+]CC ZINC000849215007 588462052 /nfs/dbraw/zinc/46/20/52/588462052.db2.gz IKXYHVJQKPEVML-LLVKDONJSA-N 1 0 227.352 0.970 20 30 BCEDRO CNC(NC[C@H](CC(=O)OC)C1CC1)=[NH+]C ZINC000849215038 588462089 /nfs/dbraw/zinc/46/20/89/588462089.db2.gz JWLNPFNZOVMYQJ-VIFPVBQESA-N 1 0 227.308 0.371 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=S)NCC1CC1 ZINC000849264036 588467362 /nfs/dbraw/zinc/46/73/62/588467362.db2.gz BPIGWYLKZPRPSO-UHFFFAOYSA-N 1 0 239.388 0.816 20 30 BCEDRO C#CCNC(=S)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000849267269 588468263 /nfs/dbraw/zinc/46/82/63/588468263.db2.gz OQUCPBKHDAXUKX-SNVBAGLBSA-N 1 0 239.388 0.957 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CO[C@@H](CC)C1 ZINC000850244554 588531540 /nfs/dbraw/zinc/53/15/40/588531540.db2.gz WFWKYFJXRPEPSN-QWRGUYRKSA-N 1 0 247.360 0.744 20 30 BCEDRO C#CCSCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000851656148 588613157 /nfs/dbraw/zinc/61/31/57/588613157.db2.gz DTRSYCIYQNTLLI-UHFFFAOYSA-N 1 0 243.376 0.732 20 30 BCEDRO C#CCSCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000851656701 588613227 /nfs/dbraw/zinc/61/32/27/588613227.db2.gz OKRMMKPTMDGSRW-VIFPVBQESA-N 1 0 229.349 0.260 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)NCc1ccc(C#N)cn1 ZINC000851660584 588613560 /nfs/dbraw/zinc/61/35/60/588613560.db2.gz SZBWMBVDSAYGDL-SECBINFHSA-N 1 0 247.302 0.360 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(C#N)cn1 ZINC000851660585 588613688 /nfs/dbraw/zinc/61/36/88/588613688.db2.gz SZBWMBVDSAYGDL-VIFPVBQESA-N 1 0 247.302 0.360 20 30 BCEDRO C#CCN(C)C(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851678056 588614526 /nfs/dbraw/zinc/61/45/26/588614526.db2.gz NQJUUOOFKYCSTK-SNVBAGLBSA-N 1 0 211.309 0.634 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676622 588614532 /nfs/dbraw/zinc/61/45/32/588614532.db2.gz LYKAYYXYTJHMNC-AKJDGMEZSA-N 1 0 235.331 0.840 20 30 BCEDRO C#CCN(CC)C(=O)NCC1([NH3+])CCCC1 ZINC000851670971 588614583 /nfs/dbraw/zinc/61/45/83/588614583.db2.gz DELINAXCWCQESW-UHFFFAOYSA-N 1 0 223.320 0.923 20 30 BCEDRO C#CCOCC[N@@H+](CCC)CC(=O)N(C)C ZINC000851733706 588619764 /nfs/dbraw/zinc/61/97/64/588619764.db2.gz DTDTTYBJHSLYJD-UHFFFAOYSA-N 1 0 226.320 0.436 20 30 BCEDRO C#CCOCCN1CC[NH+](CC(C)(C)O)CC1 ZINC000851747287 588622142 /nfs/dbraw/zinc/62/21/42/588622142.db2.gz DMEHFKNEZQAFGY-UHFFFAOYSA-N 1 0 240.347 0.025 20 30 BCEDRO C#CCOCC[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000851762167 588624699 /nfs/dbraw/zinc/62/46/99/588624699.db2.gz LDLHRUWRLAUUNK-NWDGAFQWSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCOCC[NH2+][C@](C)(CC)CC(=O)OC ZINC000851854631 588635564 /nfs/dbraw/zinc/63/55/64/588635564.db2.gz WDLHBGRIDYZWNH-GFCCVEGCSA-N 1 0 227.304 0.958 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000851862105 588635601 /nfs/dbraw/zinc/63/56/01/588635601.db2.gz UMMCXWMHNIETSQ-QWHCGFSZSA-N 1 0 223.316 0.995 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000851860095 588635610 /nfs/dbraw/zinc/63/56/10/588635610.db2.gz FRPWWONGJSBWTE-RYUDHWBXSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000851860093 588635907 /nfs/dbraw/zinc/63/59/07/588635907.db2.gz FRPWWONGJSBWTE-NEPJUHHUSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000851865970 588636876 /nfs/dbraw/zinc/63/68/76/588636876.db2.gz YSNYLOAFUYIZSI-RYUDHWBXSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCC[NH+]1CCN(CCOC(F)F)CC1 ZINC000851872894 588637550 /nfs/dbraw/zinc/63/75/50/588637550.db2.gz MOVAEBLYMXOTAU-UHFFFAOYSA-N 1 0 232.274 0.867 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000851881065 588639258 /nfs/dbraw/zinc/63/92/58/588639258.db2.gz WUSWNJRLDUGLTH-GFCCVEGCSA-N 1 0 236.315 0.333 20 30 BCEDRO C#CCOCC[NH+]1CCC(CCC(N)=O)CC1 ZINC000851885795 588640005 /nfs/dbraw/zinc/64/00/05/588640005.db2.gz LYEIWMNURYIUCG-UHFFFAOYSA-N 1 0 238.331 0.614 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851909359 588642380 /nfs/dbraw/zinc/64/23/80/588642380.db2.gz CJBISXXXAIWYJD-AWEZNQCLSA-N 1 0 248.326 0.867 20 30 BCEDRO C#CCOCCNC(CC)(CC)C(=O)OC ZINC000851933088 588644865 /nfs/dbraw/zinc/64/48/65/588644865.db2.gz NZYXBVNHXPWRDY-UHFFFAOYSA-N 1 0 227.304 0.958 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(OC)OC)[C@@H]1CCCO1 ZINC000851951091 588646956 /nfs/dbraw/zinc/64/69/56/588646956.db2.gz UTPNXIZOLIQSLN-MNOVXSKESA-N 1 0 227.304 0.766 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1cn[nH]n1)[C@H]1CCCO1 ZINC000851949574 588647082 /nfs/dbraw/zinc/64/70/82/588647082.db2.gz GJTWVAYJHPFEPR-GHMZBOCLSA-N 1 0 220.276 0.118 20 30 BCEDRO C#CCOCCN1CC[C@@H](C)C[C@@H]1C(=O)OC ZINC000851950142 588647165 /nfs/dbraw/zinc/64/71/65/588647165.db2.gz MJYKICIKYFHVHL-VXGBXAGGSA-N 1 0 239.315 0.910 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000851951255 588647237 /nfs/dbraw/zinc/64/72/37/588647237.db2.gz CBWSMIYSNXBIGK-GFCCVEGCSA-N 1 0 209.289 0.747 20 30 BCEDRO C#CCOCCN1CCCN(CCC)C(=O)C1 ZINC000851977051 588650642 /nfs/dbraw/zinc/65/06/42/588650642.db2.gz QEXSODKCSMPLOY-UHFFFAOYSA-N 1 0 238.331 0.581 20 30 BCEDRO C#CC[N@@H+](C)CCN1C[C@H](C)O[C@@H](C)C1 ZINC000851978160 588650885 /nfs/dbraw/zinc/65/08/85/588650885.db2.gz KKYDCKAPNOGSCK-RYUDHWBXSA-N 1 0 210.321 0.661 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCc1nnn(C(C)(C)C)n1 ZINC000851990314 588652681 /nfs/dbraw/zinc/65/26/81/588652681.db2.gz QTKLUAJFJDPODM-SNVBAGLBSA-N 1 0 235.335 0.924 20 30 BCEDRO C#CCOCC[N@@H+]1CCC12CCOCC2 ZINC000851989026 588652809 /nfs/dbraw/zinc/65/28/09/588652809.db2.gz RVCYIYUYDKXZFP-UHFFFAOYSA-N 1 0 209.289 0.891 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000851999142 588653706 /nfs/dbraw/zinc/65/37/06/588653706.db2.gz YODOHBKYXPPWRZ-STQMWFEESA-N 1 0 239.315 0.516 20 30 BCEDRO C#CCOCC[N@H+]1CCN(C)C(C)(C)C1 ZINC000852007999 588654726 /nfs/dbraw/zinc/65/47/26/588654726.db2.gz HUTRSSJJPMMJDP-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000852038238 588656828 /nfs/dbraw/zinc/65/68/28/588656828.db2.gz LJXFPXICLHLEKR-CYBMUJFWSA-N 1 0 239.315 0.518 20 30 BCEDRO C#CCOCC[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000852040834 588657124 /nfs/dbraw/zinc/65/71/24/588657124.db2.gz ODLLZMMCYJSZGP-LLVKDONJSA-N 1 0 212.293 0.126 20 30 BCEDRO C#CCOCC[N@H+]1CCN(C)C[C@H]1CC ZINC000852093377 588661430 /nfs/dbraw/zinc/66/14/30/588661430.db2.gz IWGGEEXOYNJWQQ-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@H]1CCS(=O)(=O)C1 ZINC000852103814 588661986 /nfs/dbraw/zinc/66/19/86/588661986.db2.gz RYUHLNXHBHAAKJ-MNOVXSKESA-N 1 0 229.345 0.813 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NCCOCC ZINC000852101937 588663042 /nfs/dbraw/zinc/66/30/42/588663042.db2.gz IMEOKJYQNYAOLQ-LBPRGKRZSA-N 1 0 226.320 0.531 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCC(=O)NCC(=O)OC ZINC000852101377 588663076 /nfs/dbraw/zinc/66/30/76/588663076.db2.gz DJBPKMTWSGBQJQ-GFCCVEGCSA-N 1 0 240.303 0.057 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1cnccn1 ZINC000852104979 588663714 /nfs/dbraw/zinc/66/37/14/588663714.db2.gz RAWOUPOUGXNOGI-GFCCVEGCSA-N 1 0 232.287 0.807 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCC[C@H]1C(=O)OCC ZINC000852141621 588666781 /nfs/dbraw/zinc/66/67/81/588666781.db2.gz RKBPSISKXPQNAO-NEPJUHHUSA-N 1 0 239.315 0.958 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](CCCO)C1 ZINC000852149895 588667626 /nfs/dbraw/zinc/66/76/26/588667626.db2.gz WVUILIBEGMDDMU-LBPRGKRZSA-N 1 0 211.305 0.731 20 30 BCEDRO C#CCOCCN1C[C@@H](C)[N@@H+](CCO)C[C@H]1C ZINC000852181188 588669932 /nfs/dbraw/zinc/66/99/32/588669932.db2.gz DFELVZOYQDJYDC-CHWSQXEVSA-N 1 0 240.347 0.023 20 30 BCEDRO C#CCCCCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000852201729 588671577 /nfs/dbraw/zinc/67/15/77/588671577.db2.gz MMAAZSCJJXUOGH-UHFFFAOYSA-N 1 0 237.347 0.993 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000852206739 588671611 /nfs/dbraw/zinc/67/16/11/588671611.db2.gz QRAKIFCUDPKFNL-NEPJUHHUSA-N 1 0 209.289 0.747 20 30 BCEDRO C#CCOCC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000852211893 588672609 /nfs/dbraw/zinc/67/26/09/588672609.db2.gz QNZJQMINHGAICM-UHFFFAOYSA-N 1 0 248.330 0.640 20 30 BCEDRO C=CC[N@@H+](CC[S@](C)=O)[C@H](C)COC ZINC000852356572 588679570 /nfs/dbraw/zinc/67/95/70/588679570.db2.gz INHYZYYDBKIFFN-YGRLFVJLSA-N 1 0 219.350 0.888 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852439334 588682047 /nfs/dbraw/zinc/68/20/47/588682047.db2.gz CDXCHONXUYXJOE-NSHDSACASA-N 1 0 238.287 0.163 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852439333 588682207 /nfs/dbraw/zinc/68/22/07/588682207.db2.gz CDXCHONXUYXJOE-LLVKDONJSA-N 1 0 238.287 0.163 20 30 BCEDRO C#CCCCN1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000852529259 588687964 /nfs/dbraw/zinc/68/79/64/588687964.db2.gz FYQJEUYWGVFWAT-LLVKDONJSA-N 1 0 244.360 0.366 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000852535786 588687998 /nfs/dbraw/zinc/68/79/98/588687998.db2.gz KUELJJIUYZUROG-VXGBXAGGSA-N 1 0 209.289 0.605 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000852583977 588691833 /nfs/dbraw/zinc/69/18/33/588691833.db2.gz BIYXWLWELGWHJB-GARJFASQSA-N 1 0 236.315 0.017 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000852583973 588692023 /nfs/dbraw/zinc/69/20/23/588692023.db2.gz BIYXWLWELGWHJB-AXFHLTTASA-N 1 0 236.315 0.017 20 30 BCEDRO N#CCCOCC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000852580757 588692108 /nfs/dbraw/zinc/69/21/08/588692108.db2.gz DZOBMHVIUDQSGA-WDEREUQCSA-N 1 0 224.304 0.810 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC2(COC2)C1 ZINC000852682940 588694171 /nfs/dbraw/zinc/69/41/71/588694171.db2.gz CNLJQDWEDCIPSD-SNVBAGLBSA-N 1 0 210.277 0.637 20 30 BCEDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)CCO[C@@H](C)C#N)C1 ZINC000852695844 588696477 /nfs/dbraw/zinc/69/64/77/588696477.db2.gz HCNDSPCGMPFFAI-GARJFASQSA-N 1 0 240.303 0.798 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](C(=O)NC(C)C)C1 ZINC000852696052 588696502 /nfs/dbraw/zinc/69/65/02/588696502.db2.gz SNRLOOXCYFVHGC-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)[C@@](C)(CO)C1 ZINC000852704004 588697343 /nfs/dbraw/zinc/69/73/43/588697343.db2.gz NSEYIADJVVUHEG-WCQYABFASA-N 1 0 238.331 0.076 20 30 BCEDRO CC#CC[NH+]1CCC(N2CCOC2=O)CC1 ZINC000852721328 588698109 /nfs/dbraw/zinc/69/81/09/588698109.db2.gz MPPQORSDVWHETM-UHFFFAOYSA-N 1 0 222.288 0.926 20 30 BCEDRO C#CCC[N@@H+](CCOC)CC(OC)OC ZINC000852748907 588699389 /nfs/dbraw/zinc/69/93/89/588699389.db2.gz KSWHSGIGWYGRLX-UHFFFAOYSA-N 1 0 215.293 0.577 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC2CC1(C)C2 ZINC000852786219 588701802 /nfs/dbraw/zinc/70/18/02/588701802.db2.gz UTEGBGBRZIQRCS-GRZMOONWSA-N 1 0 206.289 0.609 20 30 BCEDRO CCn1nccc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852804416 588704471 /nfs/dbraw/zinc/70/44/71/588704471.db2.gz OUTXOMGPVLQNMQ-UHFFFAOYSA-N 1 0 246.314 0.845 20 30 BCEDRO COCCN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852808483 588704921 /nfs/dbraw/zinc/70/49/21/588704921.db2.gz YWJIVWXCNAZDTN-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NC1CCC1 ZINC000852812840 588705214 /nfs/dbraw/zinc/70/52/14/588705214.db2.gz GVFPPWDSWMSIPX-UHFFFAOYSA-N 1 0 206.289 0.658 20 30 BCEDRO Cc1cc(CNC(=O)C#CC2CC[NH2+]CC2)on1 ZINC000852822276 588705777 /nfs/dbraw/zinc/70/57/77/588705777.db2.gz NJEBEVLRQBQMKO-UHFFFAOYSA-N 1 0 247.298 0.602 20 30 BCEDRO CO[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)C1CCC1 ZINC000852827096 588706071 /nfs/dbraw/zinc/70/60/71/588706071.db2.gz BINACFSNFLRUOL-MXWKQRLJSA-N 1 0 237.303 0.029 20 30 BCEDRO C[C@H](Cc1ccco1)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852827527 588706303 /nfs/dbraw/zinc/70/63/03/588706303.db2.gz KBHGPZXLKMLJFG-SCVCMEIPSA-N 1 0 247.298 0.686 20 30 BCEDRO Cc1ccncc1CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852828246 588706305 /nfs/dbraw/zinc/70/63/05/588706305.db2.gz WIBOBFDXGGQSMD-NEPJUHHUSA-N 1 0 244.298 0.160 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1CC2(CC2)C1 ZINC000852827345 588706322 /nfs/dbraw/zinc/70/63/22/588706322.db2.gz GZLATTKJEJRBRK-VHSXEESVSA-N 1 0 219.288 0.404 20 30 BCEDRO Cc1ccoc1CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852827312 588706344 /nfs/dbraw/zinc/70/63/44/588706344.db2.gz GJRCKQJIKKWAKK-UWVGGRQHSA-N 1 0 233.271 0.358 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1CC2(CC2)C1 ZINC000852827344 588706426 /nfs/dbraw/zinc/70/64/26/588706426.db2.gz GZLATTKJEJRBRK-UWVGGRQHSA-N 1 0 219.288 0.404 20 30 BCEDRO COc1cc(C(=O)N[C@H](C)C[NH3+])ccc1C#N ZINC000852827374 588706449 /nfs/dbraw/zinc/70/64/49/588706449.db2.gz HRFJNWJANIFFAN-MRVPVSSYSA-N 1 0 233.271 0.644 20 30 BCEDRO CN(C(=O)C#CC1CC[NH2+]CC1)[C@H]1CCOC1 ZINC000852835247 588706957 /nfs/dbraw/zinc/70/69/57/588706957.db2.gz FUYITNUKTBMNOF-LBPRGKRZSA-N 1 0 236.315 0.237 20 30 BCEDRO CN(C(=O)C#CC1CC[NH2+]CC1)[C@@H]1CCOC1 ZINC000852835246 588706961 /nfs/dbraw/zinc/70/69/61/588706961.db2.gz FUYITNUKTBMNOF-GFCCVEGCSA-N 1 0 236.315 0.237 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCC(F)F ZINC000852837667 588707157 /nfs/dbraw/zinc/70/71/57/588707157.db2.gz MPYPQABQFQTGGD-UHFFFAOYSA-N 1 0 216.231 0.371 20 30 BCEDRO C[C@@H](O)CCN(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000852842880 588707691 /nfs/dbraw/zinc/70/76/91/588707691.db2.gz KOQGEIOBDBWGQK-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C[C@H](CNC(=O)C#CC1CC[NH2+]CC1)[NH+](C)C ZINC000852862034 588709292 /nfs/dbraw/zinc/70/92/92/588709292.db2.gz QQLDPYROIMVPIQ-LLVKDONJSA-N 1 0 237.347 0.056 20 30 BCEDRO CCC(F)(F)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852874557 588709952 /nfs/dbraw/zinc/70/99/52/588709952.db2.gz AVJCPQIIIWDNGZ-BQBZGAKWSA-N 1 0 217.219 0.259 20 30 BCEDRO C=CCN(C(=O)C1=NO[C@@H](C[NH3+])C1)C1CC1 ZINC000852889144 588711408 /nfs/dbraw/zinc/71/14/08/588711408.db2.gz OXLKZROHVZLMCB-SECBINFHSA-N 1 0 223.276 0.267 20 30 BCEDRO C=CCN(C(=O)C1=NO[C@H](C[NH3+])C1)C1CC1 ZINC000852889145 588711451 /nfs/dbraw/zinc/71/14/51/588711451.db2.gz OXLKZROHVZLMCB-VIFPVBQESA-N 1 0 223.276 0.267 20 30 BCEDRO C=CCCCCCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852896756 588712058 /nfs/dbraw/zinc/71/20/58/588712058.db2.gz GYYOETFQEWZFFQ-JTQLQIEISA-N 1 0 239.319 0.953 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N1CCCCN1 ZINC000852894580 588712089 /nfs/dbraw/zinc/71/20/89/588712089.db2.gz RONXOJAUWHHXKF-UHFFFAOYSA-N 1 0 221.304 0.116 20 30 BCEDRO C=CCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852902390 588712522 /nfs/dbraw/zinc/71/25/22/588712522.db2.gz FFBHVVWQQRJKCA-UHFFFAOYSA-N 1 0 206.289 0.682 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)c1ccc(C#N)c(OC)c1 ZINC000852923316 588713544 /nfs/dbraw/zinc/71/35/44/588713544.db2.gz CICQNDLYRIZJGX-SECBINFHSA-N 1 0 247.298 0.905 20 30 BCEDRO Cc1cn(C)nc1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852924421 588713586 /nfs/dbraw/zinc/71/35/86/588713586.db2.gz OYIZUSSUFUQOJZ-UHFFFAOYSA-N 1 0 246.314 0.670 20 30 BCEDRO C#CCCCCNC(=O)NCCOCC[NH2+]C ZINC000861610191 589170379 /nfs/dbraw/zinc/17/03/79/589170379.db2.gz XTGQSCGYUMRPEA-UHFFFAOYSA-N 1 0 241.335 0.325 20 30 BCEDRO C#CCCCNC(=O)NCC1([NH3+])CCOCC1 ZINC000861624300 589170857 /nfs/dbraw/zinc/17/08/57/589170857.db2.gz QFTLPEDLWBTVJQ-UHFFFAOYSA-N 1 0 239.319 0.207 20 30 BCEDRO C#CCCCNC(=O)N(C)CCOCC[NH2+]C ZINC000861624686 589170880 /nfs/dbraw/zinc/17/08/80/589170880.db2.gz XFVGFGPOJNRJKQ-UHFFFAOYSA-N 1 0 241.335 0.277 20 30 BCEDRO N#CCCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861628387 589171001 /nfs/dbraw/zinc/17/10/01/589171001.db2.gz QIUJJYHXIONJRU-VIFPVBQESA-N 1 0 222.292 0.484 20 30 BCEDRO CCN(CC[NH3+])C(=O)NCc1ccc(C#N)cn1 ZINC000861633631 589171297 /nfs/dbraw/zinc/17/12/97/589171297.db2.gz RPINMRBKRWPASC-UHFFFAOYSA-N 1 0 247.302 0.443 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)C[C@@H](C)[NH3+])C(C)C ZINC000861633606 589171441 /nfs/dbraw/zinc/17/14/41/589171441.db2.gz QZYVKYXHVBPKPG-NXEZZACHSA-N 1 0 211.309 0.633 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861636705 589171656 /nfs/dbraw/zinc/17/16/56/589171656.db2.gz URSTVXPTUWSEKY-BBBLOLIVSA-N 1 0 227.308 0.319 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)N[C@@H](C)C[NH3+])C1 ZINC000861643010 589172367 /nfs/dbraw/zinc/17/23/67/589172367.db2.gz MQOBYZCLCRYTHJ-VHSXEESVSA-N 1 0 211.309 0.941 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861661816 589173763 /nfs/dbraw/zinc/17/37/63/589173763.db2.gz WCCAXICTHVHTNG-SNVBAGLBSA-N 1 0 221.304 0.594 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861658872 589173802 /nfs/dbraw/zinc/17/38/02/589173802.db2.gz PTXYDGWGTCELKP-JTQLQIEISA-N 1 0 221.304 0.546 20 30 BCEDRO C=C(Cl)CNC(=O)NCCOCC[NH2+]C ZINC000861677563 589173885 /nfs/dbraw/zinc/17/38/85/589173885.db2.gz JHPXAKMZCIPCPD-UHFFFAOYSA-N 1 0 235.715 0.274 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861689715 589174615 /nfs/dbraw/zinc/17/46/15/589174615.db2.gz HPFXJTNKURXPSO-UWVGGRQHSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861689556 589174640 /nfs/dbraw/zinc/17/46/40/589174640.db2.gz GGAIEQKXDAKHSS-GUBZILKMSA-N 1 0 209.293 0.448 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1)C1CC1 ZINC000861691571 589174931 /nfs/dbraw/zinc/17/49/31/589174931.db2.gz WTELXJVATYUIBV-WDEREUQCSA-N 1 0 235.331 0.934 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCCOCCC[NH3+] ZINC000861692626 589175003 /nfs/dbraw/zinc/17/50/03/589175003.db2.gz HQHXDUIXATUUEO-SNVBAGLBSA-N 1 0 227.308 0.015 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861702709 589175128 /nfs/dbraw/zinc/17/51/28/589175128.db2.gz VWHIANUWBYMCOZ-KXUCPTDWSA-N 1 0 209.293 0.400 20 30 BCEDRO C#CC[C@H]1CCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000862566162 589223331 /nfs/dbraw/zinc/22/33/31/589223331.db2.gz JAMBRPGHPNYDQQ-RYUDHWBXSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[C@H]1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000862566316 589223390 /nfs/dbraw/zinc/22/33/90/589223390.db2.gz LUXNDYLWHOBHGA-NWDGAFQWSA-N 1 0 220.316 0.810 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(OC)n[nH]1 ZINC000862712535 589235991 /nfs/dbraw/zinc/23/59/91/589235991.db2.gz UBCULFUGCBOEOH-UHFFFAOYSA-N 1 0 224.264 0.475 20 30 BCEDRO CON=CC(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863029161 589252760 /nfs/dbraw/zinc/25/27/60/589252760.db2.gz AHZQYMSYBXQSQY-LLVKDONJSA-N 1 0 239.319 0.752 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cccc3n[nH]cc32)N1 ZINC000863105615 589256704 /nfs/dbraw/zinc/25/67/04/589256704.db2.gz VYDLGCXMYNOFHV-QMMMGPOBSA-N 1 0 242.286 0.834 20 30 BCEDRO Cn1nncc1N=NC1C[N@@H+]2C[C@@H]1CCC2 ZINC000863117594 589259594 /nfs/dbraw/zinc/25/95/94/589259594.db2.gz XOTBUOHVAFIPEV-QMMMGPOBSA-N 1 0 220.280 0.309 20 30 BCEDRO CC(=NNc1cc[nH+]cc1C)c1cnn(C)n1 ZINC000863158253 589263642 /nfs/dbraw/zinc/26/36/42/589263642.db2.gz SWRMGBHGZZYJNQ-UHFFFAOYSA-N 1 0 230.275 0.777 20 30 BCEDRO Cc1c[nH+]ccc1NN=C1CCN(C)C1=O ZINC000863157491 589263734 /nfs/dbraw/zinc/26/37/34/589263734.db2.gz BLSAMNAUZGBWQI-UHFFFAOYSA-N 1 0 218.260 0.442 20 30 BCEDRO CC(C)(O)C[NH+]1CCC(=Nn2cccn2)CC1 ZINC000863163853 589266379 /nfs/dbraw/zinc/26/63/79/589266379.db2.gz QZGYJOLQTDCFGJ-UHFFFAOYSA-N 1 0 236.319 0.954 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1C[C@@H](O)C1 ZINC000863383422 589285591 /nfs/dbraw/zinc/28/55/91/589285591.db2.gz QCWISVPSKPHVJF-PHIMTYICSA-N 1 0 226.320 0.334 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863561790 589299532 /nfs/dbraw/zinc/29/95/32/589299532.db2.gz HHEMADNXQDIJLK-VXGBXAGGSA-N 1 0 236.315 0.405 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)CSC ZINC000863589694 589301398 /nfs/dbraw/zinc/30/13/98/589301398.db2.gz VEGRPVUAPASXTL-ZJUUUORDSA-N 1 0 217.334 0.338 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000119654724 589322052 /nfs/dbraw/zinc/32/20/52/589322052.db2.gz NHQLMZXKQHWEPQ-UHFFFAOYSA-N 1 0 218.304 0.551 20 30 BCEDRO C#C[C@H](CC)NC(=O)C[N@H+](C)C1CCC1 ZINC000863910269 589325620 /nfs/dbraw/zinc/32/56/20/589325620.db2.gz WNRCFXQFTKMFOT-SNVBAGLBSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCN1CC[NH+](CCCCCO)CC1 ZINC000119812825 589334332 /nfs/dbraw/zinc/33/43/32/589334332.db2.gz XYHANSLQGODGHB-UHFFFAOYSA-N 1 0 210.321 0.400 20 30 BCEDRO CNC(NCc1nn(C)cc1C(F)F)=[NH+]C ZINC000864358002 589354001 /nfs/dbraw/zinc/35/40/01/589354001.db2.gz DAYYZNCEDILWQF-UHFFFAOYSA-N 1 0 231.250 0.653 20 30 BCEDRO CNC(NCC[C@@H](O)C1CCCC1)=[NH+]C ZINC000864357971 589354292 /nfs/dbraw/zinc/35/42/92/589354292.db2.gz BWNTUEUVCAPKOZ-SNVBAGLBSA-N 1 0 213.325 0.722 20 30 BCEDRO CNC(NC[C@@H]1CCCN1CC(F)F)=[NH+]C ZINC000864356956 589355151 /nfs/dbraw/zinc/35/51/51/589355151.db2.gz RCVKHTOXVJQMFP-QMMMGPOBSA-N 1 0 234.294 0.511 20 30 BCEDRO CNC(NCc1ccc(CC(=O)OC)cc1)=[NH+]C ZINC000864357043 589355251 /nfs/dbraw/zinc/35/52/51/589355251.db2.gz SYAALGLFILXQMB-UHFFFAOYSA-N 1 0 249.314 0.697 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000864422742 589361272 /nfs/dbraw/zinc/36/12/72/589361272.db2.gz NOSOWJVVFJKBEF-MNOVXSKESA-N 1 0 221.304 0.355 20 30 BCEDRO C[N@H+](CCNC(=O)c1coc(C#N)c1)C1CC1 ZINC000865003819 589404427 /nfs/dbraw/zinc/40/44/27/589404427.db2.gz PTFVZWNJDKJJTP-UHFFFAOYSA-N 1 0 233.271 0.975 20 30 BCEDRO C#CCNC(=O)NC1(CCOC)CC[NH2+]CC1 ZINC000865344509 589422974 /nfs/dbraw/zinc/42/29/74/589422974.db2.gz MDECLHNAPGXNBF-UHFFFAOYSA-N 1 0 239.319 0.078 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000865345313 589422982 /nfs/dbraw/zinc/42/29/82/589422982.db2.gz ZPFLOWFQKNKWGG-VHSXEESVSA-N 1 0 207.277 0.156 20 30 BCEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C[C@H](O)CO ZINC000865547648 589445075 /nfs/dbraw/zinc/44/50/75/589445075.db2.gz HGCMFTFUTWIXHW-LBPRGKRZSA-N 1 0 249.314 0.067 20 30 BCEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C[C@@H](O)CO ZINC000865547647 589445102 /nfs/dbraw/zinc/44/51/02/589445102.db2.gz HGCMFTFUTWIXHW-GFCCVEGCSA-N 1 0 249.314 0.067 20 30 BCEDRO Cc1cc(C[NH2+]C[C@H](O)[C@@H](C)O)ccc1C#N ZINC000865738292 589459629 /nfs/dbraw/zinc/45/96/29/589459629.db2.gz FDLFKZMSXWCXCR-MFKMUULPSA-N 1 0 234.299 0.698 20 30 BCEDRO C#Cc1ccc(C[NH2+]C[C@@H](O)[C@H](C)O)cc1 ZINC000865738336 589459942 /nfs/dbraw/zinc/45/99/42/589459942.db2.gz LLJWUPAHGNYHKP-GXFFZTMASA-N 1 0 219.284 0.499 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3ncncc3C#N)CC[C@H]21 ZINC000866205722 589480272 /nfs/dbraw/zinc/48/02/72/589480272.db2.gz AAUPLHQUVCTLQH-ZYHUDNBSSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3cc(C#N)cnn3)CC[C@@H]21 ZINC000866209391 589480421 /nfs/dbraw/zinc/48/04/21/589480421.db2.gz RRBGKQXRSSSSCS-NEPJUHHUSA-N 1 0 243.314 0.879 20 30 BCEDRO N#Cc1cc(F)ccc1N1CCN(CC[NH3+])CC1 ZINC000866704438 589513986 /nfs/dbraw/zinc/51/39/86/589513986.db2.gz UGGPLVOBFBYZSB-UHFFFAOYSA-N 1 0 248.305 0.778 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@@H]3[NH2+]CC[C@@H]32)C1=O ZINC000866726397 589516444 /nfs/dbraw/zinc/51/64/44/589516444.db2.gz ZOSWPRQJJRQGEM-AVGNSLFASA-N 1 0 249.358 0.600 20 30 BCEDRO C=C(Cl)CNS(=O)(=O)CCC[NH+](C)C ZINC000866812556 589519289 /nfs/dbraw/zinc/51/92/89/589519289.db2.gz DGBMTOPCSPEFCV-UHFFFAOYSA-N 1 0 240.756 0.610 20 30 BCEDRO C#CCOCCC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000121692805 589526596 /nfs/dbraw/zinc/52/65/96/589526596.db2.gz NDXDMTWGILZDND-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)/C=C/CN1CCOCC1 ZINC000867839479 589536614 /nfs/dbraw/zinc/53/66/14/589536614.db2.gz CGLDEVQUGVSLKZ-BTDICHCPSA-N 1 0 236.315 0.355 20 30 BCEDRO N#Cc1cc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)co1 ZINC000867974046 589541966 /nfs/dbraw/zinc/54/19/66/589541966.db2.gz NTRAZOORVMLCBR-JOYOIKCWSA-N 1 0 245.282 0.975 20 30 BCEDRO C=CCOCC(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000868003097 589543451 /nfs/dbraw/zinc/54/34/51/589543451.db2.gz OBSBGZLUXKBGLE-SNVBAGLBSA-N 1 0 226.320 0.693 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)CC[NH3+])C2 ZINC000868038598 589545553 /nfs/dbraw/zinc/54/55/53/589545553.db2.gz WWAFSPZSBPCGLK-GFCCVEGCSA-N 1 0 229.283 0.490 20 30 BCEDRO C[C@H]([NH3+])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868037599 589545909 /nfs/dbraw/zinc/54/59/09/589545909.db2.gz GIYQPVQYMGEVAI-QPUJVOFHSA-N 1 0 229.283 0.489 20 30 BCEDRO C[NH2+][C@@H](C)C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868037976 589545961 /nfs/dbraw/zinc/54/59/61/589545961.db2.gz JYCFDSRCMWFXEC-ZANVPECISA-N 1 0 243.310 0.750 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@](C)([NH3+])C1 ZINC000868075502 589547625 /nfs/dbraw/zinc/54/76/25/589547625.db2.gz KHIVVPWTDVHHKU-JQWIXIFHSA-N 1 0 226.320 0.917 20 30 BCEDRO C#CCCNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000868252028 589552740 /nfs/dbraw/zinc/55/27/40/589552740.db2.gz BKDSZCZAVSKRFZ-GFCCVEGCSA-N 1 0 237.347 0.991 20 30 BCEDRO CC#CCNC(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868454274 589558276 /nfs/dbraw/zinc/55/82/76/589558276.db2.gz AOSWPGGYTNUVGQ-VXGBXAGGSA-N 1 0 235.331 0.745 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868515335 589561867 /nfs/dbraw/zinc/56/18/67/589561867.db2.gz XMUOEPHMTSEKHO-SRVKXCTJSA-N 1 0 235.331 0.744 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000868515336 589562071 /nfs/dbraw/zinc/56/20/71/589562071.db2.gz XMUOEPHMTSEKHO-TUAOUCFPSA-N 1 0 235.331 0.744 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+]CC2(CO)CC2)cc1 ZINC000122393739 589585151 /nfs/dbraw/zinc/58/51/51/589585151.db2.gz ZEHIYTUQNQUFJV-CYBMUJFWSA-N 1 0 246.310 0.954 20 30 BCEDRO C[NH+]1CCC(C(=O)n2ncc(C#N)c2N)CC1 ZINC000869367874 589601451 /nfs/dbraw/zinc/60/14/51/589601451.db2.gz ABQXLCFBGALUOS-UHFFFAOYSA-N 1 0 233.275 0.319 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)O[C@@H]1C ZINC000870479224 589667906 /nfs/dbraw/zinc/66/79/06/589667906.db2.gz TXWUPFRKGNSRHD-HBNTYKKESA-N 1 0 226.320 0.786 20 30 BCEDRO C=C[C@@H](OC(=O)[C@@H](C(C)C)[NH+](C)C)C(=O)OC ZINC000870532535 589672019 /nfs/dbraw/zinc/67/20/19/589672019.db2.gz WTGUTMRBNMDZON-NXEZZACHSA-N 1 0 243.303 0.843 20 30 BCEDRO C[C@H]1CN(C(=O)c2coc(C#N)c2)CC[NH2+]1 ZINC000870913162 589696758 /nfs/dbraw/zinc/69/67/58/589696758.db2.gz RMZKLBTWIPXZFS-QMMMGPOBSA-N 1 0 219.244 0.585 20 30 BCEDRO N#Cc1cc(C(=O)NCC[C@H]2CC[NH2+]C2)co1 ZINC000870935776 589698381 /nfs/dbraw/zinc/69/83/81/589698381.db2.gz SMIIBMIREPKPGW-SECBINFHSA-N 1 0 233.271 0.881 20 30 BCEDRO C[C@@H](C[NH3+])N(C)C(=O)c1coc(C#N)c1 ZINC000870937149 589698954 /nfs/dbraw/zinc/69/89/54/589698954.db2.gz VEXFAJFBIHRKAU-ZETCQYMHSA-N 1 0 207.233 0.570 20 30 BCEDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2coc(C#N)c2)CCO1 ZINC000870938949 589699202 /nfs/dbraw/zinc/69/92/02/589699202.db2.gz WYYOVJUELDZSHN-KWQFWETISA-N 1 0 249.270 0.339 20 30 BCEDRO Cc1cc(F)ncc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000870940887 589699747 /nfs/dbraw/zinc/69/97/47/589699747.db2.gz NOILUOYZWVZBPI-WPRPVWTQSA-N 1 0 248.261 0.371 20 30 BCEDRO Cc1cc(F)ncc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000870940883 589699749 /nfs/dbraw/zinc/69/97/49/589699749.db2.gz NOILUOYZWVZBPI-SCZZXKLOSA-N 1 0 248.261 0.371 20 30 BCEDRO C=CCOCC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000870974698 589704054 /nfs/dbraw/zinc/70/40/54/589704054.db2.gz NIXILCNOWUINPP-ZSBIGDGJSA-N 1 0 238.331 0.836 20 30 BCEDRO CC(C)([NH3+])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000871012645 589711059 /nfs/dbraw/zinc/71/10/59/589711059.db2.gz YWWUFDXQCSYWJQ-LBPRGKRZSA-N 1 0 243.310 0.879 20 30 BCEDRO C#CCNC(=O)N1C[C@H](C(F)(F)F)[C@@H](C[NH3+])C1 ZINC000871600142 589772319 /nfs/dbraw/zinc/77/23/19/589772319.db2.gz JNVZXUMPLUXGRB-YUMQZZPRSA-N 1 0 249.236 0.398 20 30 BCEDRO Cc1cccc(C#N)c1S(=O)(=O)NCC[NH3+] ZINC000871803820 589820793 /nfs/dbraw/zinc/82/07/93/589820793.db2.gz UIXQUZQIFMPNND-UHFFFAOYSA-N 1 0 239.300 0.104 20 30 BCEDRO N#Cc1ccc(CN2C[C@@H]3C[C@H]2C[NH2+]3)o1 ZINC000872145143 589884089 /nfs/dbraw/zinc/88/40/89/589884089.db2.gz MXZIWSVZHHGRDL-IUCAKERBSA-N 1 0 203.245 0.697 20 30 BCEDRO CC(C)(O)C[C@@H](O)C[NH2+]CCCCC#N ZINC000872200975 589889952 /nfs/dbraw/zinc/88/99/52/589889952.db2.gz PONMVRXWZPOECS-SNVBAGLBSA-N 1 0 214.309 0.792 20 30 BCEDRO C[C@@H](C#N)C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872200491 589890143 /nfs/dbraw/zinc/89/01/43/589890143.db2.gz IQXLBKNSLDTGRG-IUCAKERBSA-N 1 0 200.282 0.258 20 30 BCEDRO CC(C)(O)C[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000872205626 589892415 /nfs/dbraw/zinc/89/24/15/589892415.db2.gz KIZNOSOKKCGWSY-SECBINFHSA-N 1 0 214.309 0.648 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000872205515 589892472 /nfs/dbraw/zinc/89/24/72/589892472.db2.gz BARBETFGIUKTRO-STQMWFEESA-N 1 0 241.331 0.138 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)O)C(C)C ZINC000872208308 589892830 /nfs/dbraw/zinc/89/28/30/589892830.db2.gz UBXVQNUDXHZRKA-WDEREUQCSA-N 1 0 213.321 0.756 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)C(C)C ZINC000872208307 589892882 /nfs/dbraw/zinc/89/28/82/589892882.db2.gz UBXVQNUDXHZRKA-QWRGUYRKSA-N 1 0 213.321 0.756 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CCC)CCO ZINC000872217790 589895642 /nfs/dbraw/zinc/89/56/42/589895642.db2.gz GCASQVWTFVKTPA-NSHDSACASA-N 1 0 226.320 0.267 20 30 BCEDRO C#CCC[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000872264762 589902453 /nfs/dbraw/zinc/90/24/53/589902453.db2.gz AYCFUFHXWLGHCR-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]N1CCN(C)CC1 ZINC000872325420 589913081 /nfs/dbraw/zinc/91/30/81/589913081.db2.gz QRRVLRYEVFGXFN-UHFFFAOYSA-N 1 0 233.319 0.554 20 30 BCEDRO C[C@@H]1C(N=Nc2cnccn2)CC[N@@H+]1C ZINC000872341669 589915004 /nfs/dbraw/zinc/91/50/04/589915004.db2.gz WPWSUMAAIVBIFZ-MRVPVSSYSA-N 1 0 205.265 0.969 20 30 BCEDRO C[C@@H]1C(=NNC2=[NH+][C@@H](C)CN2)CCN1C ZINC000872364622 589920822 /nfs/dbraw/zinc/92/08/22/589920822.db2.gz PGUSDZZBLNFJCO-JGVFFNPUSA-N 1 0 209.297 0.004 20 30 BCEDRO COc1nccnc1N=NC1CC[N@H+](C)[C@@H]1C ZINC000872366685 589921305 /nfs/dbraw/zinc/92/13/05/589921305.db2.gz HWBTUNQUPHKTIW-MRVPVSSYSA-N 1 0 235.291 0.977 20 30 BCEDRO C[C@@H]1C(N=Nc2cnn(C)c2)CC[N@@H+]1C ZINC000872369518 589923117 /nfs/dbraw/zinc/92/31/17/589923117.db2.gz LOZSTYTVMHHHGD-MRVPVSSYSA-N 1 0 207.281 0.912 20 30 BCEDRO COCCN(C)[NH+]=Cc1c(C)ccnc1N ZINC000872372743 589923902 /nfs/dbraw/zinc/92/39/02/589923902.db2.gz KYPKZMPOBYPQMF-UHFFFAOYSA-N 1 0 222.292 0.884 20 30 BCEDRO C[C@H]1C(N=Nc2ccncn2)CC[N@@H+]1C ZINC000872381162 589927988 /nfs/dbraw/zinc/92/79/88/589927988.db2.gz XMZWRLZFZNAMTE-QMMMGPOBSA-N 1 0 205.265 0.969 20 30 BCEDRO CCN(CCO)[NH+]=Cc1c(C)ccnc1N ZINC000872384075 589928867 /nfs/dbraw/zinc/92/88/67/589928867.db2.gz CGNCDNJKBLYKQA-UHFFFAOYSA-N 1 0 222.292 0.620 20 30 BCEDRO C#C[C@@H]1COCCN1CC12CC(C1)C[NH2+]2 ZINC000873212927 589990146 /nfs/dbraw/zinc/99/01/46/589990146.db2.gz CQDPDFIPAAWULS-MOENNCHZSA-N 1 0 206.289 0.072 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1[C@H](CC)CC[C@@H]1C ZINC000124631080 590068136 /nfs/dbraw/zinc/06/81/36/590068136.db2.gz QWAKMSCQIWBBJB-WDEREUQCSA-N 1 0 208.305 0.999 20 30 BCEDRO N#CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000874252595 590099799 /nfs/dbraw/zinc/09/97/99/590099799.db2.gz PKUARUGHNCNGEJ-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO C#CCCN1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000874263650 590101126 /nfs/dbraw/zinc/10/11/26/590101126.db2.gz LKDRIEGXCOKIIZ-GFCCVEGCSA-N 1 0 237.347 0.104 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)NCC[NH+]1CCC1 ZINC000875925148 590177683 /nfs/dbraw/zinc/17/76/83/590177683.db2.gz MRWHFKBDAWUMNG-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO C[NH2+]C[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000876503010 590203842 /nfs/dbraw/zinc/20/38/42/590203842.db2.gz WEUVACORADVSFY-LBPRGKRZSA-N 1 0 220.316 0.858 20 30 BCEDRO N#CC1(C(=O)N2CCC[C@@H](C[NH3+])C2)CCC1 ZINC000876514762 590206591 /nfs/dbraw/zinc/20/65/91/590206591.db2.gz YYZRSTHKYSCFCH-JTQLQIEISA-N 1 0 221.304 0.878 20 30 BCEDRO C[NH2+][C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000876517956 590206954 /nfs/dbraw/zinc/20/69/54/590206954.db2.gz HUFNOBYLCCKXBW-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO CC(C)[NH2+]CCCNC(=O)C#CC1CC1 ZINC000876524591 590208496 /nfs/dbraw/zinc/20/84/96/590208496.db2.gz QDNQPYIUMMHVDS-UHFFFAOYSA-N 1 0 208.305 0.904 20 30 BCEDRO C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1[NH3+] ZINC000876533761 590210691 /nfs/dbraw/zinc/21/06/91/590210691.db2.gz VSKNLGODJJQJBS-KOLCDFICSA-N 1 0 206.289 0.596 20 30 BCEDRO C[C@H]([NH3+])[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000876534783 590210706 /nfs/dbraw/zinc/21/07/06/590210706.db2.gz SYLGYGKZIIBOMG-JQWIXIFHSA-N 1 0 220.316 0.986 20 30 BCEDRO CC1(C)C[NH2+]CCN1C(=O)C#CC1CC1 ZINC000876537867 590211683 /nfs/dbraw/zinc/21/16/83/590211683.db2.gz GAZKLMKPYQVGRK-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCO1 ZINC000876544978 590213150 /nfs/dbraw/zinc/21/31/50/590213150.db2.gz DEDVFGQLZCRRDC-RKDXNWHRSA-N 1 0 232.711 0.752 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCOCC ZINC000876548303 590214003 /nfs/dbraw/zinc/21/40/03/590214003.db2.gz BJFYZQZCPUAPFL-VIFPVBQESA-N 1 0 234.727 0.999 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CC)C(=O)OC ZINC000876579653 590218667 /nfs/dbraw/zinc/21/86/67/590218667.db2.gz JPZSBPMXLOMVRG-HTQZYQBOSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CC)C(=O)OC ZINC000876579654 590218709 /nfs/dbraw/zinc/21/87/09/590218709.db2.gz JPZSBPMXLOMVRG-JGVFFNPUSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1CCCOC1 ZINC000876607351 590221422 /nfs/dbraw/zinc/22/14/22/590221422.db2.gz UCMOAMHGWGUHNI-NXEZZACHSA-N 1 0 246.738 0.999 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1nc(C)no1 ZINC000876612010 590221993 /nfs/dbraw/zinc/22/19/93/590221993.db2.gz ZCKZZXCAGIZOOY-ZETCQYMHSA-N 1 0 244.682 0.464 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCOCC1CC1 ZINC000876626084 590223676 /nfs/dbraw/zinc/22/36/76/590223676.db2.gz OCIMWYLTSZBCJB-JTQLQIEISA-N 1 0 246.738 0.999 20 30 BCEDRO C#CCCCCCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000876658271 590223713 /nfs/dbraw/zinc/22/37/13/590223713.db2.gz RHRWDKMYEGSTKF-LBPRGKRZSA-N 1 0 238.331 0.756 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC[C@@H](C)O ZINC000876669107 590228178 /nfs/dbraw/zinc/22/81/78/590228178.db2.gz AONYNKIPFSPPHT-RKDXNWHRSA-N 1 0 234.727 0.686 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](OC)C1 ZINC000876669138 590228217 /nfs/dbraw/zinc/22/82/17/590228217.db2.gz BTSAIZUIOQSQTQ-IUCAKERBSA-N 1 0 232.711 0.704 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC[C@@H](C)O ZINC000876669104 590228234 /nfs/dbraw/zinc/22/82/34/590228234.db2.gz AONYNKIPFSPPHT-BDAKNGLRSA-N 1 0 234.727 0.686 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)C[C@H](C)O ZINC000876676312 590229171 /nfs/dbraw/zinc/22/91/71/590229171.db2.gz NQKDBICSKOYILH-HGNGGELXSA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCN(CC)CC1 ZINC000876706800 590232465 /nfs/dbraw/zinc/23/24/65/590232465.db2.gz HDBOIFUISJCYND-SNVBAGLBSA-N 1 0 245.754 0.620 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)c1nc[nH]n1 ZINC000876778963 590240100 /nfs/dbraw/zinc/24/01/00/590240100.db2.gz SULSIPWAFQJDHD-NKWVEPMBSA-N 1 0 243.698 0.452 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)c1cn[nH]c1 ZINC000876779052 590240248 /nfs/dbraw/zinc/24/02/48/590240248.db2.gz VDMLUEZIUPABSF-MRVPVSSYSA-N 1 0 228.683 0.842 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)C[NH3+] ZINC000876788240 590240981 /nfs/dbraw/zinc/24/09/81/590240981.db2.gz YCBXQQPEEQIMGX-SVRRBLITSA-N 1 0 219.716 0.167 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccnc1F ZINC000876801435 590243064 /nfs/dbraw/zinc/24/30/64/590243064.db2.gz CFEBNPWTXQMGFH-IONNQARKSA-N 1 0 234.234 0.062 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1CCC=CCC1 ZINC000876801306 590243085 /nfs/dbraw/zinc/24/30/85/590243085.db2.gz AUIBVLQOEJZZDJ-RYUDHWBXSA-N 1 0 233.315 0.961 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cnn(C2CC2)c1 ZINC000876801348 590243130 /nfs/dbraw/zinc/24/31/30/590243130.db2.gz BLOGLAGXUJKVDS-GZMMTYOYSA-N 1 0 245.286 0.059 20 30 BCEDRO Cc1cocc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801264 590243169 /nfs/dbraw/zinc/24/31/69/590243169.db2.gz AELPVKAKRINYJP-WPRPVWTQSA-N 1 0 219.244 0.429 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccnc1F ZINC000876801433 590243171 /nfs/dbraw/zinc/24/31/71/590243171.db2.gz CFEBNPWTXQMGFH-APPZFPTMSA-N 1 0 234.234 0.062 20 30 BCEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801761 590243428 /nfs/dbraw/zinc/24/34/28/590243428.db2.gz ILNMVORKBXZSIE-HAVMIZHYSA-N 1 0 233.315 0.506 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)[C@@H](C)O1 ZINC000876802255 590243465 /nfs/dbraw/zinc/24/34/65/590243465.db2.gz NMZUPDJAXOMVGW-SAVGLBRCSA-N 1 0 237.303 0.028 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(C(F)F)CCC1 ZINC000876802501 590243633 /nfs/dbraw/zinc/24/36/33/590243633.db2.gz PLYDULLYGABINQ-YUMQZZPRSA-N 1 0 243.257 0.650 20 30 BCEDRO CCC[C@H](OCC)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876803913 590243748 /nfs/dbraw/zinc/24/37/48/590243748.db2.gz ZKROLSMPQNITNH-DCAQKATOSA-N 1 0 239.319 0.419 20 30 BCEDRO CC1=C(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCCO1 ZINC000876803394 590243750 /nfs/dbraw/zinc/24/37/50/590243750.db2.gz WEPKCWCHTUAJRT-KOLCDFICSA-N 1 0 235.287 0.299 20 30 BCEDRO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876803023 590244074 /nfs/dbraw/zinc/24/40/74/590244074.db2.gz UFKWDCCQLBCEPS-DBIOUOCHSA-N 1 0 235.331 0.896 20 30 BCEDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C#CC1CC1 ZINC000876831408 590246134 /nfs/dbraw/zinc/24/61/34/590246134.db2.gz ZNRYTCVZPPOTOZ-MWLCHTKSSA-N 1 0 206.289 0.514 20 30 BCEDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)C#CC1CC1 ZINC000876831407 590246154 /nfs/dbraw/zinc/24/61/54/590246154.db2.gz ZNRYTCVZPPOTOZ-KOLCDFICSA-N 1 0 206.289 0.514 20 30 BCEDRO [NH3+][C@@H]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC000876828706 590246932 /nfs/dbraw/zinc/24/69/32/590246932.db2.gz FUCGQFOQFWELIH-MNOVXSKESA-N 1 0 206.289 0.786 20 30 BCEDRO C[C@H]1[NH2+]CCN(C(=O)C#CC2CC2)[C@H]1C ZINC000876831829 590247605 /nfs/dbraw/zinc/24/76/05/590247605.db2.gz KRZVSLDMJPEFMP-ZJUUUORDSA-N 1 0 206.289 0.609 20 30 BCEDRO C[C@@H]1[C@H](C)[NH2+]CCN1C(=O)C#CC1CC1 ZINC000876831828 590247680 /nfs/dbraw/zinc/24/76/80/590247680.db2.gz KRZVSLDMJPEFMP-VHSXEESVSA-N 1 0 206.289 0.609 20 30 BCEDRO CC[C@H]1CN(C(=O)C#CC2CC2)CC[C@@H]1[NH3+] ZINC000876834611 590247940 /nfs/dbraw/zinc/24/79/40/590247940.db2.gz SVESMHWRCZAYAR-RYUDHWBXSA-N 1 0 220.316 0.986 20 30 BCEDRO [NH3+]CC[C@H](NC(=O)C#CC1CC1)C(F)(F)F ZINC000876871457 590252032 /nfs/dbraw/zinc/25/20/32/590252032.db2.gz SMKIUWKUPNUSOK-QMMMGPOBSA-N 1 0 234.221 0.796 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H](C)C(=O)OC ZINC000876885042 590253435 /nfs/dbraw/zinc/25/34/35/590253435.db2.gz SRTADUDJCBJNQN-YUMQZZPRSA-N 1 0 248.710 0.476 20 30 BCEDRO C[C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C[NH3+] ZINC000876918247 590257059 /nfs/dbraw/zinc/25/70/59/590257059.db2.gz IYNTWSLHJKJXGY-ZYHUDNBSSA-N 1 0 220.316 0.843 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000876920458 590257308 /nfs/dbraw/zinc/25/73/08/590257308.db2.gz RYNMZIUGGAZYCD-LLVKDONJSA-N 1 0 238.331 0.612 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CCC(O)(C[NH3+])CC1 ZINC000876926988 590257963 /nfs/dbraw/zinc/25/79/63/590257963.db2.gz NUIVJCNTQZIVDR-UHFFFAOYSA-N 1 0 238.331 0.348 20 30 BCEDRO C#CCNC(=O)c1csc(C2CC[NH2+]CC2)n1 ZINC000876943295 590259387 /nfs/dbraw/zinc/25/93/87/590259387.db2.gz OZBNZXVAIKNBHQ-UHFFFAOYSA-N 1 0 249.339 0.973 20 30 BCEDRO C#CCNC(=O)[C@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000876943291 590259446 /nfs/dbraw/zinc/25/94/46/590259446.db2.gz OTTKKCRINVFPTH-ZDUSSCGKSA-N 1 0 239.278 0.494 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@@H]1COCCO1 ZINC000876950018 590260225 /nfs/dbraw/zinc/26/02/25/590260225.db2.gz CNXLQBRQUPXSSU-WDEREUQCSA-N 1 0 212.293 0.931 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CO)C(C)C ZINC000876956681 590260724 /nfs/dbraw/zinc/26/07/24/590260724.db2.gz NYNMITIIFFLZOS-RKDXNWHRSA-N 1 0 234.727 0.589 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC/C=C\CO ZINC000876962003 590261585 /nfs/dbraw/zinc/26/15/85/590261585.db2.gz YDNODVZNAYMNPU-KZUAUGPASA-N 1 0 218.684 0.121 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCCO ZINC000876962245 590262207 /nfs/dbraw/zinc/26/22/07/590262207.db2.gz PCSSJGDFKZSUQF-MRVPVSSYSA-N 1 0 220.700 0.345 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1C[NH2+]C[C@H]1/C=C\C ZINC000876974969 590263658 /nfs/dbraw/zinc/26/36/58/590263658.db2.gz YWYJZZQUFSEYDH-USKJLILSSA-N 1 0 238.331 0.717 20 30 BCEDRO C=CCOCCNC(=O)/C=C\[C@@H]1CCC[NH2+]C1 ZINC000876974996 590263707 /nfs/dbraw/zinc/26/37/07/590263707.db2.gz ZRNYIOZSCPXSSM-FJOGCWAESA-N 1 0 238.331 0.861 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CCS(C)(=O)=O ZINC000876977352 590263977 /nfs/dbraw/zinc/26/39/77/590263977.db2.gz YPJSBHACQQGOFR-VIFPVBQESA-N 1 0 218.322 0.560 20 30 BCEDRO C=CCCCC(=O)NCC1([NH3+])CCOCC1 ZINC000877014324 590268883 /nfs/dbraw/zinc/26/88/83/590268883.db2.gz WBNKUNVZLJPRJN-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO C=CCCCC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877038969 590272908 /nfs/dbraw/zinc/27/29/08/590272908.db2.gz CLZHTDAWTDYYGV-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)C#CC(C)(C)C ZINC000877171346 590295662 /nfs/dbraw/zinc/29/56/62/590295662.db2.gz FCYSAPLTYQIHIN-ZJUUUORDSA-N 1 0 208.305 0.984 20 30 BCEDRO N#Cc1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)co1 ZINC000877171579 590296474 /nfs/dbraw/zinc/29/64/74/590296474.db2.gz BLCCRCGTZTXKAZ-AOOOYVTPSA-N 1 0 231.255 0.728 20 30 BCEDRO CCc1cc(NC(=O)C#CC2CC[NH2+]CC2)n[nH]1 ZINC000877233518 590301955 /nfs/dbraw/zinc/30/19/55/590301955.db2.gz WLXWZHBMEYMUJJ-UHFFFAOYSA-N 1 0 246.314 0.914 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]CC(C)(C)N1CCOCC1 ZINC000877338099 590317916 /nfs/dbraw/zinc/31/79/16/590317916.db2.gz XHPFDBACZRWOEN-LBPRGKRZSA-N 1 0 242.363 0.624 20 30 BCEDRO C=CCCOCC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000877391156 590322444 /nfs/dbraw/zinc/32/24/44/590322444.db2.gz HRJWJIZVSKISMK-AAEUAGOBSA-N 1 0 238.331 0.980 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)[C@H]1CCCO1 ZINC000877415746 590324855 /nfs/dbraw/zinc/32/48/55/590324855.db2.gz DYFSEQDEYJQHRI-GRYCIOLGSA-N 1 0 236.315 0.426 20 30 BCEDRO C[C@@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC#N ZINC000877483810 590337755 /nfs/dbraw/zinc/33/77/55/590337755.db2.gz QBNZYXRKMQTJBC-UWVGGRQHSA-N 1 0 209.293 0.937 20 30 BCEDRO C#C[C@@H]([NH2+][C@@H](C)Cn1cncn1)C(C)C ZINC000877513339 590343507 /nfs/dbraw/zinc/34/35/07/590343507.db2.gz ROVFHZOSNJHIPC-WDEREUQCSA-N 1 0 206.293 0.914 20 30 BCEDRO C#CCCCCCC[N@@H+]1C[C@H](O)[C@H](CO)C1 ZINC000877583774 590366485 /nfs/dbraw/zinc/36/64/85/590366485.db2.gz UHWAXBXPGUTPEJ-STQMWFEESA-N 1 0 225.332 0.855 20 30 BCEDRO C=CCC[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877622802 590376460 /nfs/dbraw/zinc/37/64/60/590376460.db2.gz CRFYURPBLNQIKT-UHFFFAOYSA-N 1 0 240.328 1.000 20 30 BCEDRO C#C[C@@H]([NH2+][C@@H](C)Cn1cncn1)C1CCOCC1 ZINC000877638155 590381934 /nfs/dbraw/zinc/38/19/34/590381934.db2.gz SZBLZUSSLYAXHJ-WCQYABFASA-N 1 0 248.330 0.685 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@@]1(OC)CCOC1 ZINC000877640899 590382431 /nfs/dbraw/zinc/38/24/31/590382431.db2.gz HQNZHNSCVBQZLM-ZDUSSCGKSA-N 1 0 241.331 0.764 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000877661818 590387687 /nfs/dbraw/zinc/38/76/87/590387687.db2.gz IBAFRCGHVVLNLS-YNEHKIRRSA-N 1 0 241.331 0.666 20 30 BCEDRO C[C@H](CCC#N)C[NH+]1CCC(CO)(CO)CC1 ZINC000877797997 590424767 /nfs/dbraw/zinc/42/47/67/590424767.db2.gz FQRSPKXFTMKUCE-GFCCVEGCSA-N 1 0 240.347 0.993 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000877929045 590450267 /nfs/dbraw/zinc/45/02/67/590450267.db2.gz QOPNXJNWAMZACV-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=CC[C@H](C)[N@H+](C)CC(=O)N1CCOCC1 ZINC000877940170 590453386 /nfs/dbraw/zinc/45/33/86/590453386.db2.gz KUYJWNMMNOKDNR-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCN(C(=O)CN(C)C)CC1 ZINC000877957571 590457878 /nfs/dbraw/zinc/45/78/78/590457878.db2.gz BCUYPNFUJSZMPV-GFCCVEGCSA-N 1 0 239.363 0.657 20 30 BCEDRO C#CC[N@H+](CCn1cnnn1)C1CCCCC1 ZINC000878001673 590469849 /nfs/dbraw/zinc/46/98/49/590469849.db2.gz XPOPYEIGFJWUPS-UHFFFAOYSA-N 1 0 233.319 0.941 20 30 BCEDRO C=C1CC[NH+](CCc2nnnn2C)CC1 ZINC000878086789 590489586 /nfs/dbraw/zinc/48/95/86/590489586.db2.gz BNFSYSCUDBVATG-UHFFFAOYSA-N 1 0 207.281 0.405 20 30 BCEDRO C=CC[C@@H](C(=O)OC)N1CC[C@@H](C[NH+](C)C)C1 ZINC000878105120 590495228 /nfs/dbraw/zinc/49/52/28/590495228.db2.gz WNZGCIGILYKRCS-RYUDHWBXSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000878112677 590497429 /nfs/dbraw/zinc/49/74/29/590497429.db2.gz UNAJLRUDTGERSL-ZJUUUORDSA-N 1 0 232.349 0.575 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H]1CCc2ncnn21 ZINC000878166767 590513971 /nfs/dbraw/zinc/51/39/71/590513971.db2.gz FIESHSGQTOXAOD-SNVBAGLBSA-N 1 0 204.277 0.721 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000878289631 590534890 /nfs/dbraw/zinc/53/48/90/590534890.db2.gz DYKJQTCNGFFEQW-VHSXEESVSA-N 1 0 232.349 0.575 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000878289632 590535337 /nfs/dbraw/zinc/53/53/37/590535337.db2.gz DYKJQTCNGFFEQW-ZJUUUORDSA-N 1 0 232.349 0.575 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCN(C(=O)CO)CC1 ZINC000878305240 590538470 /nfs/dbraw/zinc/53/84/70/590538470.db2.gz VAFCFSGKVAJFCD-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO CC(C)[C@@H](O)CC[NH+]1CCN(CCC#N)CC1 ZINC000878312326 590541117 /nfs/dbraw/zinc/54/11/17/590541117.db2.gz JGFWOAJJXMSQEE-ZDUSSCGKSA-N 1 0 239.363 0.925 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCN2C(=O)NC(=O)[C@@H]2C1 ZINC000878319304 590544461 /nfs/dbraw/zinc/54/44/61/590544461.db2.gz OLGNAOQRPOFLIH-IUCAKERBSA-N 1 0 223.276 0.187 20 30 BCEDRO C[C@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H]1O ZINC000878335072 590549418 /nfs/dbraw/zinc/54/94/18/590549418.db2.gz HTSVOUQCMRWIDV-GZMMTYOYSA-N 1 0 206.245 0.964 20 30 BCEDRO C=CC[C@H](C)N1CCN(CCOC)C(=O)C1 ZINC000878336065 590549898 /nfs/dbraw/zinc/54/98/98/590549898.db2.gz CCEZSQNAVATIOB-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CC[N@@H+](CCc1nnnn1C)C1CC1 ZINC000878342057 590552420 /nfs/dbraw/zinc/55/24/20/590552420.db2.gz OMUNSBBJLJLLHA-UHFFFAOYSA-N 1 0 207.281 0.403 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000878379460 590556529 /nfs/dbraw/zinc/55/65/29/590556529.db2.gz LXSLSQNQQCGOQW-MNOVXSKESA-N 1 0 246.376 0.917 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000878391002 590558811 /nfs/dbraw/zinc/55/88/11/590558811.db2.gz GLZXRRHVSKAKMA-HBNTYKKESA-N 1 0 227.304 0.807 20 30 BCEDRO C#CCCCCC[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000878396342 590560134 /nfs/dbraw/zinc/56/01/34/590560134.db2.gz KXUZJQMHDQSLQJ-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000878429152 590565876 /nfs/dbraw/zinc/56/58/76/590565876.db2.gz BKIAFIOPPMBDIL-NWDGAFQWSA-N 1 0 210.321 0.967 20 30 BCEDRO C#CC[N@H+](C[C@H]1CCc2ncnn21)C1CC1 ZINC000878434977 590567686 /nfs/dbraw/zinc/56/76/86/590567686.db2.gz XTBCEGWWMRUXGP-LLVKDONJSA-N 1 0 216.288 0.863 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000878464406 590571971 /nfs/dbraw/zinc/57/19/71/590571971.db2.gz XCCPLIVEMFKUDP-MXWKQRLJSA-N 1 0 227.304 0.807 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000878517524 590585809 /nfs/dbraw/zinc/58/58/09/590585809.db2.gz SLJAGWOJZNLQGM-UWVGGRQHSA-N 1 0 204.277 0.719 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000878622048 590597279 /nfs/dbraw/zinc/59/72/79/590597279.db2.gz RGNYWHDEEMJKAK-NXEZZACHSA-N 1 0 240.303 0.301 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000878660853 590604864 /nfs/dbraw/zinc/60/48/64/590604864.db2.gz NWRRAKYWDMVATR-CMPLNLGQSA-N 1 0 213.321 0.900 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000878696119 590611368 /nfs/dbraw/zinc/61/13/68/590611368.db2.gz VEIWXQSIERHZIJ-DCAQKATOSA-N 1 0 224.304 0.540 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000878698123 590611613 /nfs/dbraw/zinc/61/16/13/590611613.db2.gz BFEXPRFMNYTCAQ-UWVGGRQHSA-N 1 0 214.309 0.790 20 30 BCEDRO C=CC[N@@H+](CCc1nnnn1C)[C@@H](C)COC ZINC000878889874 590642190 /nfs/dbraw/zinc/64/21/90/590642190.db2.gz LKBLPCPJHNYROH-JTQLQIEISA-N 1 0 239.323 0.276 20 30 BCEDRO C#CCN(CC(=O)N(C)C)C1CSC1 ZINC000878908958 590644718 /nfs/dbraw/zinc/64/47/18/590644718.db2.gz DOJMZRBKSMMEPU-UHFFFAOYSA-N 1 0 212.318 0.125 20 30 BCEDRO C#CCN(CC(=O)N(C)OC)C1CSC1 ZINC000878909585 590645598 /nfs/dbraw/zinc/64/55/98/590645598.db2.gz GJIQTCFWKSAWQT-UHFFFAOYSA-N 1 0 228.317 0.057 20 30 BCEDRO C#CC[N@@H+](CC1(CO)COC1)C1CSC1 ZINC000878912623 590648668 /nfs/dbraw/zinc/64/86/68/590648668.db2.gz IUXWIQFSWMJJIX-UHFFFAOYSA-N 1 0 227.329 0.046 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000878985475 590668482 /nfs/dbraw/zinc/66/84/82/590668482.db2.gz FQMQUXXBTYLSTN-NWDGAFQWSA-N 1 0 236.319 0.944 20 30 BCEDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccc(C#N)o1 ZINC000878980801 590668700 /nfs/dbraw/zinc/66/87/00/590668700.db2.gz FMXJMPWHQUKSSW-JOYOIKCWSA-N 1 0 236.271 0.469 20 30 BCEDRO 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RDJNYKAOIPOZNX-NEPJUHHUSA-N 1 0 211.305 0.608 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879617260 590832273 /nfs/dbraw/zinc/83/22/73/590832273.db2.gz MQHBGTMLEHNBKV-SNVBAGLBSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879618399 590832568 /nfs/dbraw/zinc/83/25/68/590832568.db2.gz XTOUNFISFHLURN-WDEREUQCSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCCCC[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879695758 590851042 /nfs/dbraw/zinc/85/10/42/590851042.db2.gz PEDHUQFOGBFAIB-TXEJJXNPSA-N 1 0 213.321 0.875 20 30 BCEDRO C=C(C)CC[N@@H+]1CCC[C@H]2OCCNC(=O)[C@H]21 ZINC000879721124 590855467 /nfs/dbraw/zinc/85/54/67/590855467.db2.gz JWWFNSKGAIANDQ-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO COCC#CC[NH+]1CCC(C(=O)NOC)CC1 ZINC000879924867 590890388 /nfs/dbraw/zinc/89/03/88/590890388.db2.gz WFDOVPILCHUBGO-UHFFFAOYSA-N 1 0 240.303 0.026 20 30 BCEDRO C#CCCCCC[N@@H+](C)CCS(N)(=O)=O ZINC000880085832 590922215 /nfs/dbraw/zinc/92/22/15/590922215.db2.gz WUUPDUHQLQUOOE-UHFFFAOYSA-N 1 0 232.349 0.400 20 30 BCEDRO C#CCNC(=O)CN[C@H](C)c1nccnc1C ZINC000880104378 590926374 /nfs/dbraw/zinc/92/63/74/590926374.db2.gz QQQODCDGUVPKBO-SNVBAGLBSA-N 1 0 232.287 0.185 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C ZINC000880140886 590940752 /nfs/dbraw/zinc/94/07/52/590940752.db2.gz FCBQKSAAGRRBER-CHWSQXEVSA-N 1 0 249.358 0.294 20 30 BCEDRO N#CCCNC(=O)C[N@H+]1CCC[C@H](CF)C1 ZINC000880235006 590965929 /nfs/dbraw/zinc/96/59/29/590965929.db2.gz MRELQGKXHMLOLW-SNVBAGLBSA-N 1 0 227.283 0.698 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CF)C1 ZINC000880235963 590966416 /nfs/dbraw/zinc/96/64/16/590966416.db2.gz UGCXKHSKNFQPTD-GHMZBOCLSA-N 1 0 226.295 0.806 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CF)C1 ZINC000880290737 590984654 /nfs/dbraw/zinc/98/46/54/590984654.db2.gz CACLYLKYVFETMQ-ZJUUUORDSA-N 1 0 212.268 0.416 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](CF)C1 ZINC000880291799 590986059 /nfs/dbraw/zinc/98/60/59/590986059.db2.gz JFLXNOFXWKITHP-UWVGGRQHSA-N 1 0 214.284 0.969 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311646 590999679 /nfs/dbraw/zinc/99/96/79/590999679.db2.gz KPLJJTQGFRCWRR-FRRDWIJNSA-N 1 0 238.331 0.334 20 30 BCEDRO C=CCCC[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880393301 591019514 /nfs/dbraw/zinc/01/95/14/591019514.db2.gz OJSVNFFVTQVILZ-UHFFFAOYSA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCC[N@@H+]1CCC(=O)NCC12COC2 ZINC000880399797 591021593 /nfs/dbraw/zinc/02/15/93/591021593.db2.gz JHLOYUPAVYQNNW-UHFFFAOYSA-N 1 0 210.277 0.153 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@H]1CCOC[C@H]1OC ZINC000880424225 591031020 /nfs/dbraw/zinc/03/10/20/591031020.db2.gz GNCNFJFJPZRMQC-WDEREUQCSA-N 1 0 242.319 0.024 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@@H](COC)OC)CC1 ZINC000880482842 591055154 /nfs/dbraw/zinc/05/51/54/591055154.db2.gz SKZKCYQAIFYSGW-LBPRGKRZSA-N 1 0 241.331 0.498 20 30 BCEDRO C#CCC1(O)CC[NH+](CCc2cnccn2)CC1 ZINC000880482371 591055201 /nfs/dbraw/zinc/05/52/01/591055201.db2.gz HCTNYFXDLAINLL-UHFFFAOYSA-N 1 0 245.326 0.869 20 30 BCEDRO C#CCC1(O)CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000880483680 591057299 /nfs/dbraw/zinc/05/72/99/591057299.db2.gz JADFSCDOOWBTRA-GFCCVEGCSA-N 1 0 236.315 0.765 20 30 BCEDRO N#Cc1ccc([C@H](O)C[N@H+]2CC=C[C@H]2CO)cc1 ZINC000880486387 591061631 /nfs/dbraw/zinc/06/16/31/591061631.db2.gz BGKWULCGCHLOKO-UONOGXRCSA-N 1 0 244.294 0.824 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CC=C[C@H]2CO)C1=O ZINC000880491136 591066577 /nfs/dbraw/zinc/06/65/77/591066577.db2.gz GYZCNZZXWCDVSZ-WDEREUQCSA-N 1 0 222.288 0.006 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CC=C[C@@H]2CO)C1=O ZINC000880491133 591068163 /nfs/dbraw/zinc/06/81/63/591068163.db2.gz GYZCNZZXWCDVSZ-GHMZBOCLSA-N 1 0 222.288 0.006 20 30 BCEDRO COC(=O)[C@@]1(O)CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000880565125 591087366 /nfs/dbraw/zinc/08/73/66/591087366.db2.gz BUUXBDDKTWYYQK-GXSJLCMTSA-N 1 0 226.276 0.288 20 30 BCEDRO C=CCCC[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880562212 591094379 /nfs/dbraw/zinc/09/43/79/591094379.db2.gz WGGLRCGJBIILPH-LLVKDONJSA-N 1 0 213.277 0.562 20 30 BCEDRO COC(=O)[C@@]1(O)CC[N@H+](CCC(C)(C)C#N)C1 ZINC000880566350 591095409 /nfs/dbraw/zinc/09/54/09/591095409.db2.gz HRIHTOVKNCPBFN-GFCCVEGCSA-N 1 0 240.303 0.536 20 30 BCEDRO COC(=O)[C@]1(O)CC[N@H+](CC2(CC#N)CC2)C1 ZINC000880566789 591096997 /nfs/dbraw/zinc/09/69/97/591096997.db2.gz AWLGREQKBZUSCE-LBPRGKRZSA-N 1 0 238.287 0.290 20 30 BCEDRO C#CC[N@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880588355 591100990 /nfs/dbraw/zinc/10/09/90/591100990.db2.gz DULZZGZRFLYGIV-LLVKDONJSA-N 1 0 209.289 0.483 20 30 BCEDRO C#CCOCCC(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000128632484 591141970 /nfs/dbraw/zinc/14/19/70/591141970.db2.gz UBIYPZGQSZTWBM-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C[C@@H](C#N)OCCn1cc(C[C@H]2CC[NH2+]C2)nn1 ZINC000881323725 591191613 /nfs/dbraw/zinc/19/16/13/591191613.db2.gz OMPDPLYPVRJMKX-WDEREUQCSA-N 1 0 249.318 0.359 20 30 BCEDRO C=CCC[C@@H](O)Cn1cc([C@@H](C)[NH3+])nn1 ZINC000881406397 591201428 /nfs/dbraw/zinc/20/14/28/591201428.db2.gz IHJJDRPCAYVFCS-RKDXNWHRSA-N 1 0 210.281 0.625 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cc(C#N)cn1C ZINC000882487942 591364269 /nfs/dbraw/zinc/36/42/69/591364269.db2.gz LTZHZDRKHFPSHV-LLVKDONJSA-N 1 0 246.314 0.721 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC)nc1 ZINC000882486984 591365057 /nfs/dbraw/zinc/36/50/57/591365057.db2.gz ZJOZCDNZMOWDRG-LBPRGKRZSA-N 1 0 243.310 0.887 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000882492549 591371250 /nfs/dbraw/zinc/37/12/50/591371250.db2.gz AIEZMOAGGKFLLN-MWLCHTKSSA-N 1 0 212.293 0.134 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1cccc(C#N)n1 ZINC000882492538 591372182 /nfs/dbraw/zinc/37/21/82/591372182.db2.gz QQRADKLWNBMMEN-LLVKDONJSA-N 1 0 244.298 0.777 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[C@H]([NH3+])C1CC1 ZINC000129876299 591415281 /nfs/dbraw/zinc/41/52/81/591415281.db2.gz QOEJHIPDBPMTLX-SCZZXKLOSA-N 1 0 209.293 0.874 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)[C@H](C)[NH+](C)C ZINC000882903456 591471317 /nfs/dbraw/zinc/47/13/17/591471317.db2.gz CRDPWZWRAPZASA-VHSXEESVSA-N 1 0 214.309 0.380 20 30 BCEDRO C#CC1(F)CN(C(=O)NC2CC[NH+](C)CC2)C1 ZINC000883058585 591531906 /nfs/dbraw/zinc/53/19/06/591531906.db2.gz VJGGSASVYAQTTL-UHFFFAOYSA-N 1 0 239.294 0.447 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc(CC)nc1 ZINC000883125425 591539684 /nfs/dbraw/zinc/53/96/84/591539684.db2.gz ITQSAHMXTRRTHX-NSHDSACASA-N 1 0 219.288 0.513 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccnc(F)c1 ZINC000883125621 591544201 /nfs/dbraw/zinc/54/42/01/591544201.db2.gz ONIRPKTUVVEOLM-JTQLQIEISA-N 1 0 208.236 0.695 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc2oc(=O)oc2c1 ZINC000883125842 591544840 /nfs/dbraw/zinc/54/48/40/591544840.db2.gz WQKPXXQXQYJDAN-JTQLQIEISA-N 1 0 247.250 0.860 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000883125191 591544929 /nfs/dbraw/zinc/54/49/29/591544929.db2.gz BOCDWQNQKDOKAR-NSHDSACASA-N 1 0 247.342 0.773 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1c(C)nnn1CC ZINC000883131344 591546823 /nfs/dbraw/zinc/54/68/23/591546823.db2.gz XBDTWAYUFSZDHU-UHFFFAOYSA-N 1 0 249.362 0.651 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1cc2n(n1)CCC2 ZINC000883131199 591547163 /nfs/dbraw/zinc/54/71/63/591547163.db2.gz NPTNCAHTZGWDDX-UHFFFAOYSA-N 1 0 246.358 0.874 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc(C)nn1 ZINC000883156747 591555419 /nfs/dbraw/zinc/55/54/19/591555419.db2.gz XVIADKHNLKMPFC-GFCCVEGCSA-N 1 0 219.288 0.649 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2CCOC2)cc1 ZINC000131424934 591608512 /nfs/dbraw/zinc/60/85/12/591608512.db2.gz UZKIVXRBXGDJAG-STQMWFEESA-N 1 0 232.283 0.970 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ncnn1CC ZINC000883399437 591640475 /nfs/dbraw/zinc/64/04/75/591640475.db2.gz MOQQIFZKJZUQSC-JTQLQIEISA-N 1 0 224.308 0.715 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cn(C)cn1 ZINC000883400495 591647580 /nfs/dbraw/zinc/64/75/80/591647580.db2.gz ODNMASZBRYOFDG-JTQLQIEISA-N 1 0 209.293 0.837 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cncnc1OC ZINC000883400807 591647588 /nfs/dbraw/zinc/64/75/88/591647588.db2.gz VVTRMMMAJWTJJA-LLVKDONJSA-N 1 0 237.303 0.902 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccn(C)n1 ZINC000883401722 591648971 /nfs/dbraw/zinc/64/89/71/591648971.db2.gz WETFXKPWEIGSTF-LLVKDONJSA-N 1 0 209.293 0.837 20 30 BCEDRO N#CCc1cccc(NC(=O)NC2C[NH2+]C2)n1 ZINC000883587738 591695171 /nfs/dbraw/zinc/69/51/71/591695171.db2.gz QEAWRGSWNSGOMD-UHFFFAOYSA-N 1 0 231.259 0.241 20 30 BCEDRO N#CCc1cccc(NC(=O)N[C@@H]2CC[NH2+]C2)n1 ZINC000883587427 591695655 /nfs/dbraw/zinc/69/56/55/591695655.db2.gz ILQSRFGHJWAPPN-SNVBAGLBSA-N 1 0 245.286 0.631 20 30 BCEDRO C#CCSCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000132271942 591696969 /nfs/dbraw/zinc/69/69/69/591696969.db2.gz XERXKWZPFNSEAX-SNVBAGLBSA-N 1 0 247.385 0.520 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NC[C@H]1CC[N@@H+]1CC ZINC000883602053 591699159 /nfs/dbraw/zinc/69/91/59/591699159.db2.gz MDNYILCZTVMCSF-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@H](CC)NC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000883602051 591699581 /nfs/dbraw/zinc/69/95/81/591699581.db2.gz MDNYILCZTVMCSF-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C=CCCNC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883718137 591725810 /nfs/dbraw/zinc/72/58/10/591725810.db2.gz BLCPCAAFHOALNI-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[C@@H]1OC ZINC000889334112 591773716 /nfs/dbraw/zinc/77/37/16/591773716.db2.gz KKKSBBYUBVIUOW-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO C#CC[C@@H]1CCN(C(=O)NCc2cncn2C)C1 ZINC000889054713 591776691 /nfs/dbraw/zinc/77/66/91/591776691.db2.gz FQFQVPYSAPKNBW-LLVKDONJSA-N 1 0 246.314 0.975 20 30 BCEDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000884009263 591796435 /nfs/dbraw/zinc/79/64/35/591796435.db2.gz QUWIJCNAWXVHLO-SECBINFHSA-N 1 0 218.260 0.320 20 30 BCEDRO N#Cc1ccc(C(=O)NCC[C@@H]2CC[NH2+]C2)[nH]1 ZINC000884026757 591809891 /nfs/dbraw/zinc/80/98/91/591809891.db2.gz LGGAMNFKYCYCPT-VIFPVBQESA-N 1 0 232.287 0.616 20 30 BCEDRO CN(C(=O)c1ccc(C#N)[nH]1)[C@H]1CC[NH2+]C1 ZINC000884028262 591812706 /nfs/dbraw/zinc/81/27/06/591812706.db2.gz BRDHAYYIGDWIAN-VIFPVBQESA-N 1 0 218.260 0.320 20 30 BCEDRO CC(C)[C@@](C)(C[NH3+])NC(=O)c1ccc(C#N)[nH]1 ZINC000884036617 591817588 /nfs/dbraw/zinc/81/75/88/591817588.db2.gz ZUFXVZSPVIFHFD-GFCCVEGCSA-N 1 0 234.303 0.990 20 30 BCEDRO C[C@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000884042720 591824939 /nfs/dbraw/zinc/82/49/39/591824939.db2.gz GWBFUVJGAXYDSJ-KWQFWETISA-N 1 0 248.286 0.075 20 30 BCEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)NCC1CC1)C2 ZINC000884065859 591842882 /nfs/dbraw/zinc/84/28/82/591842882.db2.gz CAKNINMNEKDGRA-AKJDGMEZSA-N 1 0 233.315 0.652 20 30 BCEDRO C=C[C@@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884142310 591860855 /nfs/dbraw/zinc/86/08/55/591860855.db2.gz WVJFWXMOQDWQHD-YLXHPXFOSA-N 1 0 233.315 0.816 20 30 BCEDRO CCONC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884175164 591866882 /nfs/dbraw/zinc/86/68/82/591866882.db2.gz JWVCKEOSNAFVME-YUCVTWSNSA-N 1 0 223.276 0.193 20 30 BCEDRO N#Cc1ccc(C(=O)N(C2CC2)[C@@H]2CC[NH2+]C2)[nH]1 ZINC000884237698 591876591 /nfs/dbraw/zinc/87/65/91/591876591.db2.gz KBABFOHQTXHXGJ-LLVKDONJSA-N 1 0 244.298 0.853 20 30 BCEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1ccc(C#N)[nH]1 ZINC000884244491 591880567 /nfs/dbraw/zinc/88/05/67/591880567.db2.gz GHRVXULUJVDHFI-DTWKUNHWSA-N 1 0 232.287 0.709 20 30 BCEDRO C#CCNC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000119289866 591887343 /nfs/dbraw/zinc/88/73/43/591887343.db2.gz WRBDKFJLVINWHX-SNVBAGLBSA-N 1 0 211.309 0.649 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@@H]([NH3+])C2)[nH]1 ZINC000884267375 591887969 /nfs/dbraw/zinc/88/79/69/591887969.db2.gz DRCNLEPEMAKCSO-RKDXNWHRSA-N 1 0 232.287 0.886 20 30 BCEDRO C=CCOCC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884352951 591911009 /nfs/dbraw/zinc/91/10/09/591911009.db2.gz RSLWBDVZNZUEGF-IUCAKERBSA-N 1 0 212.293 0.431 20 30 BCEDRO CC1(C)[C@H]([NH3+])C[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884365192 591917603 /nfs/dbraw/zinc/91/76/03/591917603.db2.gz FJVSGNOWRGJFPQ-NXEZZACHSA-N 1 0 232.287 0.742 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]([NH3+])CC2CC2)nn1 ZINC000884369163 591918113 /nfs/dbraw/zinc/91/81/13/591918113.db2.gz UUANMDCMJYLDOR-NSHDSACASA-N 1 0 249.318 0.208 20 30 BCEDRO CO[C@@H](C[NH3+])C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000884461676 591937535 /nfs/dbraw/zinc/93/75/35/591937535.db2.gz KXMBKQNOCFYZGZ-UTLUCORTSA-N 1 0 225.292 0.111 20 30 BCEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)Nc1cc[nH]n1)C2 ZINC000884448325 591937713 /nfs/dbraw/zinc/93/77/13/591937713.db2.gz XQSAISIPXQFPOI-NBBOBHDQSA-N 1 0 245.286 0.488 20 30 BCEDRO C#CCCOC(=O)N[C@H]1CCCN(CC#C)C1 ZINC000885507991 592081392 /nfs/dbraw/zinc/08/13/92/592081392.db2.gz ATGGCLFOUUDWSR-LBPRGKRZSA-N 1 0 234.299 0.834 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H](CO)C2)CCC1 ZINC000886019176 592133034 /nfs/dbraw/zinc/13/30/34/592133034.db2.gz MZNCKLQSLAWIAM-NWDGAFQWSA-N 1 0 238.331 0.745 20 30 BCEDRO C[C@H](CO)[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886083757 592145337 /nfs/dbraw/zinc/14/53/37/592145337.db2.gz MOIWADACVWJKOU-MNOVXSKESA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886094835 592147284 /nfs/dbraw/zinc/14/72/84/592147284.db2.gz ZZOVFQOKJKEIQF-IJLUTSLNSA-N 1 0 238.331 0.886 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000886209247 592176489 /nfs/dbraw/zinc/17/64/89/592176489.db2.gz ITDJXXUMLPGRDU-CYBMUJFWSA-N 1 0 246.358 0.916 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cnn(CC)n2)C1 ZINC000886209680 592176911 /nfs/dbraw/zinc/17/69/11/592176911.db2.gz SBVSBHVOQOBPDW-LBPRGKRZSA-N 1 0 247.346 0.485 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCOC2)C1 ZINC000886211444 592177291 /nfs/dbraw/zinc/17/72/91/592177291.db2.gz PIWXPUQACCGCFP-NWDGAFQWSA-N 1 0 208.305 0.463 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cncnc2)C1 ZINC000886212600 592177371 /nfs/dbraw/zinc/17/73/71/592177371.db2.gz AVRBPTJFLSDBCJ-ZDUSSCGKSA-N 1 0 230.315 0.664 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@H]2CCOC2)C1 ZINC000886211443 592177487 /nfs/dbraw/zinc/17/74/87/592177487.db2.gz PIWXPUQACCGCFP-NEPJUHHUSA-N 1 0 208.305 0.463 20 30 BCEDRO CC1(C#N)CCC([NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)CC1 ZINC000886253672 592187793 /nfs/dbraw/zinc/18/77/93/592187793.db2.gz FCIUFBPRAKZHAH-UOARYYOJSA-N 1 0 238.331 0.933 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000886255573 592188661 /nfs/dbraw/zinc/18/86/61/592188661.db2.gz AORRLJKHPIKBCL-CLLJXQQHSA-N 1 0 232.283 0.532 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CC(=O)NCC=C)C1 ZINC000886355336 592215026 /nfs/dbraw/zinc/21/50/26/592215026.db2.gz GPDVLKSNQZPUMB-NSHDSACASA-N 1 0 206.289 0.634 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)COCC)C1 ZINC000886358665 592215349 /nfs/dbraw/zinc/21/53/49/592215349.db2.gz ZEEPGDUEUAVIAS-RYUDHWBXSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000886357655 592215651 /nfs/dbraw/zinc/21/56/51/592215651.db2.gz JWIGLGNKHWMZGB-JTQLQIEISA-N 1 0 237.303 0.307 20 30 BCEDRO C#CC[C@@H]1CC[N@H+](CCN2CCOCC2)C1 ZINC000886357683 592215673 /nfs/dbraw/zinc/21/56/73/592215673.db2.gz KGLAWPCVJFQEHC-CYBMUJFWSA-N 1 0 222.332 0.664 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CC(=O)NCCOCC)C1 ZINC000886357376 592216186 /nfs/dbraw/zinc/21/61/86/592216186.db2.gz FYQWPHMONXGEMB-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@](C)(O)C(C)=O)C1 ZINC000886365726 592219246 /nfs/dbraw/zinc/21/92/46/592219246.db2.gz OKSVXRSSJWUYBT-NEPJUHHUSA-N 1 0 209.289 0.672 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)CN(C)C2CC2)C1 ZINC000886365743 592219537 /nfs/dbraw/zinc/21/95/37/592219537.db2.gz OQVRMULCMRFLKA-JSGCOSHPSA-N 1 0 236.359 0.787 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCOCC(=O)OCC)C1 ZINC000886365484 592219691 /nfs/dbraw/zinc/21/96/91/592219691.db2.gz JMUXVDJQGOPNPD-GFCCVEGCSA-N 1 0 239.315 0.911 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCCn2nncc2C1 ZINC000886457775 592226541 /nfs/dbraw/zinc/22/65/41/592226541.db2.gz OEJMJFNYIPIEPF-GFCCVEGCSA-N 1 0 236.319 0.811 20 30 BCEDRO C[N@H+](CCc1ccc(C#N)cc1)[C@@H]1COC[C@H]1O ZINC000886517863 592242686 /nfs/dbraw/zinc/24/26/86/592242686.db2.gz UYQAOTYKSJDBLY-ZIAGYGMSSA-N 1 0 246.310 0.792 20 30 BCEDRO C#CCN(C(=O)C#CC)C1CC[NH+](C)CC1 ZINC000886577528 592267441 /nfs/dbraw/zinc/26/74/41/592267441.db2.gz LTXFLWKEOHGTRP-UHFFFAOYSA-N 1 0 218.300 0.566 20 30 BCEDRO C#CCN(C(=O)c1cnco1)C1CC[NH+](C)CC1 ZINC000886579668 592268232 /nfs/dbraw/zinc/26/82/32/592268232.db2.gz DGDRJSMGWSRWHG-UHFFFAOYSA-N 1 0 247.298 0.844 20 30 BCEDRO C#CCN(C(=O)CCOC)C1CC[NH+](C)CC1 ZINC000886582489 592268265 /nfs/dbraw/zinc/26/82/65/592268265.db2.gz WTVULVOMMKFGQN-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCN(C(=O)c1c[nH]cn1)C1CC[NH+](C)CC1 ZINC000886582244 592268286 /nfs/dbraw/zinc/26/82/86/592268286.db2.gz LGOUCEYIRMBSMG-UHFFFAOYSA-N 1 0 246.314 0.579 20 30 BCEDRO C#CCN(C(=O)[C@H](C)OC)C1CC[NH+](C)CC1 ZINC000886582356 592269415 /nfs/dbraw/zinc/26/94/15/592269415.db2.gz RFKQHDHTYCSEOV-NSHDSACASA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCN(C(=O)C(F)F)C1CC[NH+](C)CC1 ZINC000886589087 592271029 /nfs/dbraw/zinc/27/10/29/592271029.db2.gz JLFIKPJURKXGIW-UHFFFAOYSA-N 1 0 230.258 0.808 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2CCCOC2)C1 ZINC000886661177 592293216 /nfs/dbraw/zinc/29/32/16/592293216.db2.gz ONYWWCFKGVAEER-CHWSQXEVSA-N 1 0 222.332 0.853 20 30 BCEDRO CC#CCC[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886854186 592368454 /nfs/dbraw/zinc/36/84/54/592368454.db2.gz DXZSIKDLDLLYCV-JTQLQIEISA-N 1 0 210.277 0.830 20 30 BCEDRO COC[C@H]([NH2+]CCC#N)[C@@H]1CCCOC1 ZINC000886906165 592393453 /nfs/dbraw/zinc/39/34/53/592393453.db2.gz SAJSQUOTUKCVMW-MNOVXSKESA-N 1 0 212.293 0.931 20 30 BCEDRO C#CCOCC[NH2+][C@H](C(N)=O)[C@@H](C)CC ZINC000887055692 592431571 /nfs/dbraw/zinc/43/15/71/592431571.db2.gz GGTOCRSAJJPSAL-UWVGGRQHSA-N 1 0 212.293 0.126 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+](C)CCCF ZINC000887136552 592450959 /nfs/dbraw/zinc/45/09/59/592450959.db2.gz WQJORDWFEJOCDA-UHFFFAOYSA-N 1 0 231.271 0.290 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CCCF ZINC000887137360 592451247 /nfs/dbraw/zinc/45/12/47/592451247.db2.gz FLFNKSYNYKDGBH-VIFPVBQESA-N 1 0 245.298 0.678 20 30 BCEDRO C#CCNC(=O)C[NH2+]C1(C2CC2)CCC1 ZINC000887143475 592459437 /nfs/dbraw/zinc/45/94/37/592459437.db2.gz AULKBDLPPIRJFU-UHFFFAOYSA-N 1 0 206.289 0.658 20 30 BCEDRO C=C(Cl)C[NH2+]C1(CO)CCOCC1 ZINC000221891878 592462662 /nfs/dbraw/zinc/46/26/62/592462662.db2.gz DXFMAEFPBKMJON-UHFFFAOYSA-N 1 0 205.685 0.870 20 30 BCEDRO CNC(NC[C@H](O)Cc1ccc(F)cc1)=[NH+]C ZINC000887324251 592480807 /nfs/dbraw/zinc/48/08/07/592480807.db2.gz WZOONUMTQWJGHQ-LLVKDONJSA-N 1 0 239.294 0.524 20 30 BCEDRO C#CCSCCNC(=[NH2+])NCC(F)F ZINC000887355517 592488072 /nfs/dbraw/zinc/48/80/72/592488072.db2.gz RWRZBYLHBIAFRL-UHFFFAOYSA-N 1 0 221.276 0.732 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NCC1CC1 ZINC000887356580 592488112 /nfs/dbraw/zinc/48/81/12/592488112.db2.gz IPPOOSLORGIGAY-UHFFFAOYSA-N 1 0 245.348 0.111 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[N@H+](C)[C@H](C)C1 ZINC000300934778 592525358 /nfs/dbraw/zinc/52/53/58/592525358.db2.gz CFBTUXDHMNFXAA-NXEZZACHSA-N 1 0 212.293 0.350 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CCO[C@](C)(C#N)C1 ZINC000887674694 592539914 /nfs/dbraw/zinc/53/99/14/592539914.db2.gz HLHCEGLAYJNSCN-GFCCVEGCSA-N 1 0 239.319 0.469 20 30 BCEDRO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887933250 592561079 /nfs/dbraw/zinc/56/10/79/592561079.db2.gz JVUTVXNEYIUMIW-JBLDHEPKSA-N 1 0 221.304 0.556 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]1CO ZINC000889160567 592586657 /nfs/dbraw/zinc/58/66/57/592586657.db2.gz YLPFTYCIGXSOJK-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO [NH2+]=C(NCCCN1CCOCC1)NCC1CC1 ZINC000104159815 592602448 /nfs/dbraw/zinc/60/24/48/592602448.db2.gz MOCFXUFWKRQWAS-UHFFFAOYSA-N 1 0 240.351 0.023 20 30 BCEDRO CC(C)NC(=O)CCNC(=[NH2+])N1CCCCC1 ZINC000104161309 592602502 /nfs/dbraw/zinc/60/25/02/592602502.db2.gz QVEZSDYCBUUDDG-UHFFFAOYSA-N 1 0 240.351 0.702 20 30 BCEDRO Cc1noc(CNC(=[NH2+])NCCC(C)C)n1 ZINC000104176888 592603341 /nfs/dbraw/zinc/60/33/41/592603341.db2.gz KPEUJRIPVPMNCC-UHFFFAOYSA-N 1 0 225.296 0.828 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889824633 592655534 /nfs/dbraw/zinc/65/55/34/592655534.db2.gz JYGFDSUYQZUURL-GFCCVEGCSA-N 1 0 238.331 0.666 20 30 BCEDRO CCOc1cncc(C=NNC2=[NH+]CCN2)c1 ZINC000857210566 634383437 /nfs/dbraw/zinc/38/34/37/634383437.db2.gz VNKLAMOJIMBRBF-UHFFFAOYSA-N 1 0 233.275 0.363 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC001027320410 634476581 /nfs/dbraw/zinc/47/65/81/634476581.db2.gz ZYRNHXWHMGASQJ-NWDGAFQWSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC001027326922 634479668 /nfs/dbraw/zinc/47/96/68/634479668.db2.gz FFCQJDIOAZRFTA-LLVKDONJSA-N 1 0 247.298 0.844 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CC12CC(O)C2 ZINC000888955169 635136355 /nfs/dbraw/zinc/13/63/55/635136355.db2.gz LFNXXMRARMLZEX-YZRBJQDESA-N 1 0 224.304 0.134 20 30 BCEDRO N#CCCN1CCN([C@@H]2C[C@@H]([NH3+])C23CCC3)CC1 ZINC000925726670 634522309 /nfs/dbraw/zinc/52/23/09/634522309.db2.gz JVKMMRXRRXZCOJ-CHWSQXEVSA-N 1 0 248.374 0.788 20 30 BCEDRO C=CC[N@@H+]1C[C@H](NC(=O)c2nnc[nH]2)C(C)(C)C1 ZINC000977364074 634537530 /nfs/dbraw/zinc/53/75/30/634537530.db2.gz PCSBONJJFPVILZ-VIFPVBQESA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CC1(F)F ZINC001027875768 635185551 /nfs/dbraw/zinc/18/55/51/635185551.db2.gz XRNIZOXBQWQKBH-NXEZZACHSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CCCO3)[C@@H]2C1 ZINC000977797204 634563899 /nfs/dbraw/zinc/56/38/99/634563899.db2.gz XUBLMHFNJYVHPH-RVMXOQNASA-N 1 0 248.326 0.093 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3CC3(C)C)[C@@H]2C1 ZINC000978020579 634573395 /nfs/dbraw/zinc/57/33/95/634573395.db2.gz LRPZGGUJQWLVKF-RVMXOQNASA-N 1 0 246.354 0.960 20 30 BCEDRO C=C(CC)CNC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000909387767 634588603 /nfs/dbraw/zinc/58/86/03/634588603.db2.gz PMBPGPJRJBYEDZ-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC000978589860 634607414 /nfs/dbraw/zinc/60/74/14/634607414.db2.gz AVPZGTGJYSOFEM-VEGXAWMVSA-N 1 0 232.327 0.570 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ncccn1 ZINC001028216973 635495411 /nfs/dbraw/zinc/49/54/11/635495411.db2.gz OBOYVZRXIHIBSB-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@](C)(O)c1ccsc1 ZINC000178590039 635536874 /nfs/dbraw/zinc/53/68/74/635536874.db2.gz VDMYLMOUBZXSIL-JTQLQIEISA-N 1 0 227.333 0.832 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnnc(C)c2)C1 ZINC001022012813 631224711 /nfs/dbraw/zinc/22/47/11/631224711.db2.gz VJAHHQJWVHDMBE-TXEJJXNPSA-N 1 0 246.314 0.821 20 30 BCEDRO COCC(C)(C)[NH2+]CCO[C@@H](C)C#N ZINC000308512526 631322886 /nfs/dbraw/zinc/32/28/86/631322886.db2.gz CTRKZAWPAPXPIZ-VIFPVBQESA-N 1 0 200.282 0.930 20 30 BCEDRO C#CCOCC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933388245 631351598 /nfs/dbraw/zinc/35/15/98/631351598.db2.gz YDKMAOMGRATGOZ-WCQYABFASA-N 1 0 221.300 0.937 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001022112961 631360123 /nfs/dbraw/zinc/36/01/23/631360123.db2.gz KEUUFWFSUKDRAR-KQXIARHKSA-N 1 0 236.315 0.446 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001022191587 631405604 /nfs/dbraw/zinc/40/56/04/631405604.db2.gz NXWNOHVKFNPZMR-PHIMTYICSA-N 1 0 249.314 0.948 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C1CC(C)C1 ZINC000308654419 631467065 /nfs/dbraw/zinc/46/70/65/631467065.db2.gz NCNGAEQDSHTHJZ-UHFFFAOYSA-N 1 0 217.334 0.975 20 30 BCEDRO C#C[C@H]([NH2+]CC1OCCO1)[C@H]1CCCO1 ZINC000308803181 631492903 /nfs/dbraw/zinc/49/29/03/631492903.db2.gz ABFIIYZNZRRWSA-VHSXEESVSA-N 1 0 211.261 0.130 20 30 BCEDRO C[C@@H](O)[C@H](O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933770045 631508212 /nfs/dbraw/zinc/50/82/12/631508212.db2.gz FZFSIBUEIIGXSG-LDYMZIIASA-N 1 0 240.328 0.793 20 30 BCEDRO CC[C@H]1CC(=NNC2=[NH+][C@@H](C)CN2)CCO1 ZINC000779791466 631526137 /nfs/dbraw/zinc/52/61/37/631526137.db2.gz CXFAXRKXHGJLGS-WPRPVWTQSA-N 1 0 224.308 0.869 20 30 BCEDRO C#C[C@@H](NC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2)C(C)C ZINC000891904324 631549979 /nfs/dbraw/zinc/54/99/79/631549979.db2.gz JOLBDEIQMORCFH-GRYCIOLGSA-N 1 0 235.331 0.790 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccco2)C1 ZINC001028372408 635661306 /nfs/dbraw/zinc/66/13/06/635661306.db2.gz XVTBDDHSLYIOPD-NSHDSACASA-N 1 0 232.283 0.965 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001028422385 635668742 /nfs/dbraw/zinc/66/87/42/635668742.db2.gz DKDZEYIQFGLZSX-LLVKDONJSA-N 1 0 248.330 0.956 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)c2ccon2)C1 ZINC001028425923 635670287 /nfs/dbraw/zinc/67/02/87/635670287.db2.gz VNYHAUNCUHUPLJ-SNVBAGLBSA-N 1 0 235.287 0.912 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cocn2)C1 ZINC001028433727 635670998 /nfs/dbraw/zinc/67/09/98/635670998.db2.gz HTXAPMWHOYAJFZ-JTQLQIEISA-N 1 0 235.287 0.912 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](CNC(=O)c2ccon2)C1 ZINC001028426103 635671098 /nfs/dbraw/zinc/67/10/98/635671098.db2.gz ZJAPEUHJJAOCAK-LLVKDONJSA-N 1 0 247.298 0.750 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001028429559 635672328 /nfs/dbraw/zinc/67/23/28/635672328.db2.gz QFXDZKROYMLQTB-RYUDHWBXSA-N 1 0 236.315 0.094 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001028441516 635674875 /nfs/dbraw/zinc/67/48/75/635674875.db2.gz KYYVIUQFINEWJZ-LLVKDONJSA-N 1 0 248.330 0.956 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)C2=COCCC2)C1 ZINC001028442891 635676151 /nfs/dbraw/zinc/67/61/51/635676151.db2.gz JIIVXMLIOYJHTM-GFCCVEGCSA-N 1 0 248.326 0.752 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000308799607 631645671 /nfs/dbraw/zinc/64/56/71/631645671.db2.gz MBXKTABWMFPHTK-MXWKQRLJSA-N 1 0 212.293 0.618 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](CCCO)C1CC1 ZINC000308787348 631646759 /nfs/dbraw/zinc/64/67/59/631646759.db2.gz GUVGGVVSWIFSGF-SNVBAGLBSA-N 1 0 212.293 0.762 20 30 BCEDRO C#C[C@H]([NH2+]CC1OCCO1)[C@@H]1CCCO1 ZINC000308803178 631667264 /nfs/dbraw/zinc/66/72/64/631667264.db2.gz ABFIIYZNZRRWSA-UWVGGRQHSA-N 1 0 211.261 0.130 20 30 BCEDRO CC(C)[C@@H](CCO)[NH2+]CCO[C@@H](C)C#N ZINC000308828882 631675160 /nfs/dbraw/zinc/67/51/60/631675160.db2.gz SLKZOKKIHJXFEF-WDEREUQCSA-N 1 0 214.309 0.912 20 30 BCEDRO CC(=[NH+]NCCCO)c1ccc(N)cc1 ZINC000308851686 631694057 /nfs/dbraw/zinc/69/40/57/631694057.db2.gz RLMZUJXRNMLZSW-UHFFFAOYSA-N 1 0 207.277 0.965 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001022587805 631713906 /nfs/dbraw/zinc/71/39/06/631713906.db2.gz NXWBLNSLBLKLMG-PHIMTYICSA-N 1 0 235.287 0.640 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001022606521 631727681 /nfs/dbraw/zinc/72/76/81/631727681.db2.gz JAYIOLVJNCLGQT-KKOKHZNYSA-N 1 0 238.306 0.995 20 30 BCEDRO C[C@@](Cn1cccn1)([NH2+]CCCC#N)C(N)=O ZINC000934218360 631736561 /nfs/dbraw/zinc/73/65/61/631736561.db2.gz ABNNKAUNJKOSFJ-NSHDSACASA-N 1 0 235.291 0.020 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000934240289 631741725 /nfs/dbraw/zinc/74/17/25/631741725.db2.gz UPJCYOUIOZNKTM-NWDGAFQWSA-N 1 0 245.326 0.740 20 30 BCEDRO C#C[C@H]([NH2+]CCCCCO)[C@H]1CCCO1 ZINC000308934439 631746770 /nfs/dbraw/zinc/74/67/70/631746770.db2.gz NQUHHNDLMUIYIA-NWDGAFQWSA-N 1 0 211.305 0.919 20 30 BCEDRO C#C[C@@H]([NH2+]CC#CCOC)[C@H]1CCCO1 ZINC000308950153 631753748 /nfs/dbraw/zinc/75/37/48/631753748.db2.gz OUGCFKXRVXSLJB-VXGBXAGGSA-N 1 0 207.273 0.407 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(C)=O)C[C@H]1CC ZINC000308968119 631773664 /nfs/dbraw/zinc/77/36/64/631773664.db2.gz XHGQQHSPNJKFED-VXGBXAGGSA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](CC)C(N)=O)[C@@H]1CCCO1 ZINC000309067856 631830961 /nfs/dbraw/zinc/83/09/61/631830961.db2.gz AJWKBGQLCJACFN-GUBZILKMSA-N 1 0 210.277 0.021 20 30 BCEDRO C#CC1(O)CN(CC[C@@H]2CCCC[N@H+]2C)C1 ZINC000934444421 631839923 /nfs/dbraw/zinc/83/99/23/631839923.db2.gz MPKISJKQAUVKAQ-LBPRGKRZSA-N 1 0 222.332 0.541 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCN1C(=O)N[C@H](C)C1=O ZINC000934460552 631847354 /nfs/dbraw/zinc/84/73/54/631847354.db2.gz QIIVSKVTLSACPF-NXEZZACHSA-N 1 0 237.303 0.577 20 30 BCEDRO C=CC[C@H]1CC[N@@H+]1[C@@H]1CCC(=O)NC1=O ZINC000934458943 631847751 /nfs/dbraw/zinc/84/77/51/631847751.db2.gz ABANONQFPPBPSO-DTWKUNHWSA-N 1 0 208.261 0.442 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](O)C[C@]1(O)CCOC1 ZINC000934461957 631858137 /nfs/dbraw/zinc/85/81/37/631858137.db2.gz PIHUWUVRLRXSHB-JHJVBQTASA-N 1 0 241.331 0.539 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1[C@H](C)C(=O)NCC(=O)OC ZINC000934465208 631861064 /nfs/dbraw/zinc/86/10/64/631861064.db2.gz LAHAKEAPVHUCKW-NXEZZACHSA-N 1 0 240.303 0.315 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@@H]([NH2+]CC)C1 ZINC001022737418 631861335 /nfs/dbraw/zinc/86/13/35/631861335.db2.gz ZDBSSPNWHUQXMC-KXNHARMFSA-N 1 0 238.331 0.834 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCNS(C)(=O)=O ZINC000934468278 631861956 /nfs/dbraw/zinc/86/19/56/631861956.db2.gz AZTFCIFLPQDBQJ-SECBINFHSA-N 1 0 218.322 0.186 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CC(=O)NCCCOC ZINC000934472585 631866528 /nfs/dbraw/zinc/86/65/28/631866528.db2.gz OGTIMQSKBCSKTD-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccnnc2)C1 ZINC001022761803 631891883 /nfs/dbraw/zinc/89/18/83/631891883.db2.gz CVDYNAIWODQHJJ-PHIMTYICSA-N 1 0 232.287 0.513 20 30 BCEDRO C[C@@H]1CC[N@H+](CCNC2=[NH+]C[C@H](C)N2)C1 ZINC000849004267 631902767 /nfs/dbraw/zinc/90/27/67/631902767.db2.gz KCZKJPGOZMACKK-ZJUUUORDSA-N 1 0 210.325 0.266 20 30 BCEDRO COC(=O)[C@@H]1CCCN1CCO[C@H](C)C#N ZINC000309133950 631904117 /nfs/dbraw/zinc/90/41/17/631904117.db2.gz JRNCYBFMEIYSGG-ZJUUUORDSA-N 1 0 226.276 0.552 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnoc2CC)C1 ZINC001022792971 631944634 /nfs/dbraw/zinc/94/46/34/631944634.db2.gz QKZRXSBAXXHUMT-AOOOYVTPSA-N 1 0 247.298 0.721 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2C[C@@H]([NH2+]CC)C2)nn1 ZINC001022824667 631975593 /nfs/dbraw/zinc/97/55/93/631975593.db2.gz LKRZIJUUCMZWNE-AOOOYVTPSA-N 1 0 249.318 0.334 20 30 BCEDRO C=CCCC[N@@H+](CC)CC(=O)NC(N)=O ZINC000934643854 632002215 /nfs/dbraw/zinc/00/22/15/632002215.db2.gz WKLASJJMIHBFHU-UHFFFAOYSA-N 1 0 213.281 0.469 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccnc(C)c2)C1 ZINC001022869231 632013984 /nfs/dbraw/zinc/01/39/84/632013984.db2.gz SFFBXNMIGZPVPY-BETUJISGSA-N 1 0 243.310 0.874 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccnn2)C1 ZINC001022879214 632021473 /nfs/dbraw/zinc/02/14/73/632021473.db2.gz VBGLZOJEPGDWMD-AOOOYVTPSA-N 1 0 232.287 0.513 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)c1cccc(C#N)c1 ZINC000309365027 632024053 /nfs/dbraw/zinc/02/40/53/632024053.db2.gz AGEXDQGGEHZITG-VIFPVBQESA-N 1 0 217.272 0.977 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000972429802 632029809 /nfs/dbraw/zinc/02/98/09/632029809.db2.gz QKELSJRSDDCKLO-LBPRGKRZSA-N 1 0 248.330 0.671 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000972429809 632030970 /nfs/dbraw/zinc/03/09/70/632030970.db2.gz QMTUJWSDJKBRRR-GFCCVEGCSA-N 1 0 246.314 0.118 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cn(CC)cn2)C1 ZINC001022983395 632096163 /nfs/dbraw/zinc/09/61/63/632096163.db2.gz BLKCSSANOMICHC-PHIMTYICSA-N 1 0 248.330 0.939 20 30 BCEDRO CC[C@H](C)[N@H+](C)CCNC(=O)NCCC#N ZINC000426417611 635711744 /nfs/dbraw/zinc/71/17/44/635711744.db2.gz BVQUPNSLHAIBMZ-JTQLQIEISA-N 1 0 226.324 0.930 20 30 BCEDRO C[NH+]1CCC(C)(CNC(=O)NCCC#N)CC1 ZINC000426437111 635718521 /nfs/dbraw/zinc/71/85/21/635718521.db2.gz UVVKBZKTQHAYPA-UHFFFAOYSA-N 1 0 238.335 0.931 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001028529770 635723146 /nfs/dbraw/zinc/72/31/46/635723146.db2.gz HDLRKBMUZURFOS-LLVKDONJSA-N 1 0 246.314 0.485 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cc[nH]c2)C1 ZINC001028556176 635724133 /nfs/dbraw/zinc/72/41/33/635724133.db2.gz REGWQLISTBFMNW-LLVKDONJSA-N 1 0 231.299 0.700 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ccns2)C1 ZINC001028575260 635729470 /nfs/dbraw/zinc/72/94/70/635729470.db2.gz HQJZESCXEQJGNC-SNVBAGLBSA-N 1 0 249.339 0.828 20 30 BCEDRO C=C(C)CCN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924907106 635760409 /nfs/dbraw/zinc/76/04/09/635760409.db2.gz NDKMGRPNVYZSTI-VIFPVBQESA-N 1 0 225.292 0.435 20 30 BCEDRO COCCNC(=[NH2+])NCC1(C2CC2)CC1 ZINC000178897537 635772625 /nfs/dbraw/zinc/77/26/25/635772625.db2.gz MNVDLZSYCMOOGJ-UHFFFAOYSA-N 1 0 211.309 0.727 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC001023173943 632406060 /nfs/dbraw/zinc/40/60/60/632406060.db2.gz XEAUYFOAWUCFON-AOOOYVTPSA-N 1 0 232.287 0.202 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001023249163 632427135 /nfs/dbraw/zinc/42/71/35/632427135.db2.gz UTFGJBTYODNLPF-NSHDSACASA-N 1 0 246.314 0.485 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCCOCC1 ZINC000309526655 632471174 /nfs/dbraw/zinc/47/11/74/632471174.db2.gz BEUDJFUQSMCOSZ-LLVKDONJSA-N 1 0 247.360 0.746 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)c1cnnn1C ZINC000926544598 632471985 /nfs/dbraw/zinc/47/19/85/632471985.db2.gz CPJPURAEYDNDIE-ZJUUUORDSA-N 1 0 224.308 0.793 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC000972593723 632498406 /nfs/dbraw/zinc/49/84/06/632498406.db2.gz SBINTYMSVNQYGO-LBPRGKRZSA-N 1 0 246.310 0.988 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000972613933 632535379 /nfs/dbraw/zinc/53/53/79/632535379.db2.gz GBSFOALFSWVAIU-NSHDSACASA-N 1 0 246.314 0.118 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)NCC)[C@H]1CCCO1 ZINC000309639557 632597044 /nfs/dbraw/zinc/59/70/44/632597044.db2.gz KLHRCYBNXJTKNQ-WDEREUQCSA-N 1 0 224.304 0.283 20 30 BCEDRO C#C[C@H]([NH2+]CC(OC)OC)[C@@H]1CCCO1 ZINC000308969480 632599385 /nfs/dbraw/zinc/59/93/85/632599385.db2.gz YESNRVIBKCKLEF-UWVGGRQHSA-N 1 0 213.277 0.376 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000290859665 632649358 /nfs/dbraw/zinc/64/93/58/632649358.db2.gz ZKXSYMAGSLXHHB-DCAQKATOSA-N 1 0 208.305 0.855 20 30 BCEDRO CNC(=O)CC[N@H+](CCC#N)CC(C)C ZINC000051759473 632679562 /nfs/dbraw/zinc/67/95/62/632679562.db2.gz IIMBKJUEGRQMJM-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C[N@H+](C[C@@H](O)CN1CCC[C@H](C#N)C1)C1CC1 ZINC000310501074 632750323 /nfs/dbraw/zinc/75/03/23/632750323.db2.gz MKBCRJFJKFKBSF-DGCLKSJQSA-N 1 0 237.347 0.677 20 30 BCEDRO C[N@H+](C[C@H](O)CN1CCC[C@H](C#N)C1)C1CC1 ZINC000310501076 632751160 /nfs/dbraw/zinc/75/11/60/632751160.db2.gz MKBCRJFJKFKBSF-YPMHNXCESA-N 1 0 237.347 0.677 20 30 BCEDRO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001024522615 632759002 /nfs/dbraw/zinc/75/90/02/632759002.db2.gz HGNJCSDUSPBJBK-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C#CCSCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000309202844 632808519 /nfs/dbraw/zinc/80/85/19/632808519.db2.gz AQKMZMPJWMKLMJ-LBPRGKRZSA-N 1 0 242.388 0.398 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2ccn(C)n2)C1 ZINC001028982346 635861147 /nfs/dbraw/zinc/86/11/47/635861147.db2.gz ITYSUJWCZTWPHF-NSHDSACASA-N 1 0 248.330 0.658 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CC23CC3)C1 ZINC001028829664 635827281 /nfs/dbraw/zinc/82/72/81/635827281.db2.gz UXKWYWYHLAPPQE-VXGBXAGGSA-N 1 0 232.327 0.858 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000309269565 632868981 /nfs/dbraw/zinc/86/89/81/632868981.db2.gz RTLVXLANKBRUIB-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)c1cc[nH]c(=O)c1 ZINC000926725709 632884385 /nfs/dbraw/zinc/88/43/85/632884385.db2.gz BCVPSZIQPGEJQJ-PSASIEDQSA-N 1 0 208.261 0.985 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2oncc2C)C1 ZINC001028903180 635847674 /nfs/dbraw/zinc/84/76/74/635847674.db2.gz NVAYQYLQJYGSJP-LLVKDONJSA-N 1 0 247.298 0.668 20 30 BCEDRO CNC(=O)C(C)(C)CNC(=[NH2+])NC(C)(C)C ZINC000157373822 632905590 /nfs/dbraw/zinc/90/55/90/632905590.db2.gz RUWZPTHHYGPORW-UHFFFAOYSA-N 1 0 228.340 0.461 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892561991 632976433 /nfs/dbraw/zinc/97/64/33/632976433.db2.gz XCKXUVPSBJDAIB-AOOOYVTPSA-N 1 0 209.293 0.388 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566508 632978295 /nfs/dbraw/zinc/97/82/95/632978295.db2.gz JHUYMQNWLFRSEQ-GMTAPVOTSA-N 1 0 223.320 0.825 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892576232 632986404 /nfs/dbraw/zinc/98/64/04/632986404.db2.gz NNTLCDZJWFICMZ-GUBZILKMSA-N 1 0 211.309 0.988 20 30 BCEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCC#N ZINC000335250323 635870715 /nfs/dbraw/zinc/87/07/15/635870715.db2.gz VXKJYEPKXJEOGY-QWRGUYRKSA-N 1 0 238.335 0.882 20 30 BCEDRO COc1ccc(C[NH2+]CCn2cnc(C#N)n2)o1 ZINC000894420333 635898882 /nfs/dbraw/zinc/89/88/82/635898882.db2.gz RJLZRTPGZBNDAS-UHFFFAOYSA-N 1 0 247.258 0.541 20 30 BCEDRO CC#CCOC(=O)COC1CC[NH+](C)CC1 ZINC000923789059 633094928 /nfs/dbraw/zinc/09/49/28/633094928.db2.gz OJDDQQRKXZWLEF-UHFFFAOYSA-N 1 0 225.288 0.664 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC001018718387 633125285 /nfs/dbraw/zinc/12/52/85/633125285.db2.gz INTMDMMEXYDXMN-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO CCOCCCNC(=[NH2+])NCc1nccs1 ZINC000170907207 633177233 /nfs/dbraw/zinc/17/72/33/633177233.db2.gz RFCIEWPSGMPXLN-UHFFFAOYSA-N 1 0 242.348 0.974 20 30 BCEDRO COC(=O)CCCCCNC(=[NH2+])N(C)C ZINC000170906416 633177238 /nfs/dbraw/zinc/17/72/38/633177238.db2.gz MBNRNJJUTIKMLL-UHFFFAOYSA-N 1 0 215.297 0.596 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000926838367 633192263 /nfs/dbraw/zinc/19/22/63/633192263.db2.gz DJFVQFWQXFDARA-WDEREUQCSA-N 1 0 243.351 0.827 20 30 BCEDRO C=C(Cl)CNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000309644880 633218105 /nfs/dbraw/zinc/21/81/05/633218105.db2.gz PXKGVVQVKOIZCL-VIFPVBQESA-N 1 0 232.711 0.624 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc[nH]c1=O ZINC000328057035 633228221 /nfs/dbraw/zinc/22/82/21/633228221.db2.gz AUGIPEAXFZALQL-UHFFFAOYSA-N 1 0 247.298 0.472 20 30 BCEDRO C[C@H]1[C@H](NC(=O)c2ccnc(C#N)c2)CC[N@@H+]1C ZINC000928439026 635933317 /nfs/dbraw/zinc/93/33/17/635933317.db2.gz VYPQGIVMMWDGAQ-JOYOIKCWSA-N 1 0 244.298 0.776 20 30 BCEDRO C[C@H]1[C@H](NC(=O)CCCC#N)CC[N@@H+]1C ZINC000928438435 635935083 /nfs/dbraw/zinc/93/50/83/635935083.db2.gz ZXKRQVPTIRCSRI-VHSXEESVSA-N 1 0 209.293 0.889 20 30 BCEDRO C[C@H](C#N)OCC[NH+]1CCC(OCCO)CC1 ZINC000310235026 636005028 /nfs/dbraw/zinc/00/50/28/636005028.db2.gz RGFALOLIIOPBLV-LLVKDONJSA-N 1 0 242.319 0.388 20 30 BCEDRO CON(C)C(=O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000895042766 636018984 /nfs/dbraw/zinc/01/89/84/636018984.db2.gz LQNNILKMMVMRPG-ZJUUUORDSA-N 1 0 225.292 0.678 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)CC1(C#N)CC1 ZINC000928556047 636094339 /nfs/dbraw/zinc/09/43/39/636094339.db2.gz RJLGIAQSUPOLOV-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)CC1(C#N)CC1 ZINC000928556048 636094671 /nfs/dbraw/zinc/09/46/71/636094671.db2.gz RJLGIAQSUPOLOV-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)[C@@H](C)O1 ZINC000895157733 636099630 /nfs/dbraw/zinc/09/96/30/636099630.db2.gz FFNCSDBDHOGCEM-IMSYWVGJSA-N 1 0 228.292 0.522 20 30 BCEDRO O=c1ccc(C[NH2+][C@@H]2CCCN(O)C2=O)c[nH]1 ZINC000895157741 636099920 /nfs/dbraw/zinc/09/99/20/636099920.db2.gz FIOLTGPYIGEDKO-SECBINFHSA-N 1 0 237.259 0.257 20 30 BCEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)CS1 ZINC000895158452 636101494 /nfs/dbraw/zinc/10/14/94/636101494.db2.gz IXDSOIUMSJJESC-IWSPIJDZSA-N 1 0 230.333 0.850 20 30 BCEDRO Cc1nnc(N2CC=C(N)[NH2+]2)c(C#N)c1C ZINC000895242158 636126590 /nfs/dbraw/zinc/12/65/90/636126590.db2.gz FCONHWACOVSVMS-UHFFFAOYSA-N 1 0 216.248 0.090 20 30 BCEDRO C#CCN(C)CCC[NH2+]Cc1cncn1CC ZINC000328156578 633739482 /nfs/dbraw/zinc/73/94/82/633739482.db2.gz GVZNKILDOZOFBH-UHFFFAOYSA-N 1 0 234.347 0.948 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1csnn1 ZINC000328205695 633743920 /nfs/dbraw/zinc/74/39/20/633743920.db2.gz UVCQKBIZPABCKT-UHFFFAOYSA-N 1 0 224.333 0.583 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2cnnn2C)C1 ZINC000926869757 633748262 /nfs/dbraw/zinc/74/82/62/633748262.db2.gz YJEQKFWXXKNAJL-NWDGAFQWSA-N 1 0 247.346 0.563 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001019999660 633805557 /nfs/dbraw/zinc/80/55/57/633805557.db2.gz ZAJHWTYLHXJCBC-KYZUINATSA-N 1 0 220.276 0.446 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001020016203 633807566 /nfs/dbraw/zinc/80/75/66/633807566.db2.gz SMZCBCGKAFXREV-SRVKXCTJSA-N 1 0 238.331 0.836 20 30 BCEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1cn[nH]c1 ZINC000309106779 633850172 /nfs/dbraw/zinc/85/01/72/633850172.db2.gz IGCNBNVJTOTKJP-DTWKUNHWSA-N 1 0 208.265 0.989 20 30 BCEDRO C=CC[C@H](C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000122764103 633854854 /nfs/dbraw/zinc/85/48/54/633854854.db2.gz DRCPNSTWFWWHJN-VHSXEESVSA-N 1 0 232.349 0.622 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000309269566 633878538 /nfs/dbraw/zinc/87/85/38/633878538.db2.gz RTLVXLANKBRUIB-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000309519934 633942048 /nfs/dbraw/zinc/94/20/48/633942048.db2.gz ZTQAZUBNUCTPGV-DTWKUNHWSA-N 1 0 227.308 0.405 20 30 BCEDRO COC[C@@](C)(CCO)[NH2+]CCO[C@H](C)C#N ZINC000309682543 633986098 /nfs/dbraw/zinc/98/60/98/633986098.db2.gz ZVQZNSWMTJLDJJ-GHMZBOCLSA-N 1 0 230.308 0.292 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](COC)C1CC1 ZINC000309666129 633987149 /nfs/dbraw/zinc/98/71/49/633987149.db2.gz UDWSZRVBKFALBC-LLVKDONJSA-N 1 0 247.360 0.602 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000309812000 634014303 /nfs/dbraw/zinc/01/43/03/634014303.db2.gz ULKYBCZGEQEXCH-WDEREUQCSA-N 1 0 247.360 0.744 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCO[C@@H](C)C1 ZINC000309811998 634014531 /nfs/dbraw/zinc/01/45/31/634014531.db2.gz ULKYBCZGEQEXCH-QWRGUYRKSA-N 1 0 247.360 0.744 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H](C)Cc1cnccn1 ZINC000895490501 636151164 /nfs/dbraw/zinc/15/11/64/636151164.db2.gz QFUHBPZZBQCGPC-WDEREUQCSA-N 1 0 219.288 0.381 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000895489994 636151484 /nfs/dbraw/zinc/15/14/84/636151484.db2.gz JATYJWPJTBRHIV-GARJFASQSA-N 1 0 225.288 0.302 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000895489549 636151669 /nfs/dbraw/zinc/15/16/69/636151669.db2.gz FWCWEBJXMLXXDL-CHWSQXEVSA-N 1 0 241.331 0.402 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]CC(C)(C)N1CCOCC1 ZINC000895490091 636151678 /nfs/dbraw/zinc/15/16/78/636151678.db2.gz LRMKBOLXVIZYLE-LBPRGKRZSA-N 1 0 240.347 0.071 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cc(OC)cnc1F ZINC000895490452 636151783 /nfs/dbraw/zinc/15/17/83/636151783.db2.gz PHKNJROPUYIHEL-SNVBAGLBSA-N 1 0 238.262 0.703 20 30 BCEDRO C#CCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000895483451 636152050 /nfs/dbraw/zinc/15/20/50/636152050.db2.gz OEIOJHXNJXMGOP-LLVKDONJSA-N 1 0 232.287 0.539 20 30 BCEDRO C#CCNC(=O)c1cc([C@@H]2CCCN2C)n[nH]1 ZINC000895483452 636152459 /nfs/dbraw/zinc/15/24/59/636152459.db2.gz OEIOJHXNJXMGOP-NSHDSACASA-N 1 0 232.287 0.539 20 30 BCEDRO N#CC1CCC(C[N@@H+]2C[C@H](O)[C@H](CO)C2)CC1 ZINC000930699961 634046348 /nfs/dbraw/zinc/04/63/48/634046348.db2.gz LZVUZKAOVJKCPC-TYUFSLCMSA-N 1 0 238.331 0.601 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947679067 634083047 /nfs/dbraw/zinc/08/30/47/634083047.db2.gz DZSCNTNCHQAZIC-UWVGGRQHSA-N 1 0 239.319 0.017 20 30 BCEDRO CCOCCCNC(=[NH2+])N[C@H]1C[C@H](O)C1(C)C ZINC000186873565 634087374 /nfs/dbraw/zinc/08/73/74/634087374.db2.gz GTGVQZRYVBLIRW-UWVGGRQHSA-N 1 0 243.351 0.477 20 30 BCEDRO CCOCCCNC(=[NH2+])N[C@@H]1C[C@H](O)C1(C)C ZINC000186873549 634087592 /nfs/dbraw/zinc/08/75/92/634087592.db2.gz GTGVQZRYVBLIRW-ZJUUUORDSA-N 1 0 243.351 0.477 20 30 BCEDRO CCOC(C)(C)CNC(=[NH2+])NCCOC ZINC000187120500 634096745 /nfs/dbraw/zinc/09/67/45/634096745.db2.gz RPIMDUBATMCTPH-UHFFFAOYSA-N 1 0 217.313 0.352 20 30 BCEDRO CC[C@H](C)[C@H]([NH2+]CCO[C@@H](C)C#N)C(N)=O ZINC000310041686 634108850 /nfs/dbraw/zinc/10/88/50/634108850.db2.gz YWWIYTLYRGAVPK-GUBZILKMSA-N 1 0 227.308 0.405 20 30 BCEDRO C#CCCCNC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000893304183 634125461 /nfs/dbraw/zinc/12/54/61/634125461.db2.gz ZKKRDAYOQHWCPO-TXEJJXNPSA-N 1 0 235.331 0.603 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@H]2CCCS2(=O)=O)C1 ZINC000930884594 634152195 /nfs/dbraw/zinc/15/21/95/634152195.db2.gz GEBFUMQPFVUSDX-RYUDHWBXSA-N 1 0 241.356 0.909 20 30 BCEDRO N#C[C@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000310486208 634154290 /nfs/dbraw/zinc/15/42/90/634154290.db2.gz GHGJHVHRXLUWSY-OLZOCXBDSA-N 1 0 237.347 0.679 20 30 BCEDRO C[C@H]1[C@H]([NH+](C)C)CCN1CC(=O)NCCC#N ZINC000931044411 634201273 /nfs/dbraw/zinc/20/12/73/634201273.db2.gz ASVBSDGVIDPASL-WDEREUQCSA-N 1 0 238.335 0.041 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCC1(SC)CC1 ZINC000193300920 634275061 /nfs/dbraw/zinc/27/50/61/634275061.db2.gz JJMUSWFQPCHFSF-MRVPVSSYSA-N 1 0 231.365 0.821 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001027781225 635149053 /nfs/dbraw/zinc/14/90/53/635149053.db2.gz GNNDJQNIGOLDRF-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cocn1 ZINC001027790912 635153198 /nfs/dbraw/zinc/15/31/98/635153198.db2.gz WNNHCQDKFXNSNH-LLVKDONJSA-N 1 0 247.298 0.892 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1cccc2c1OCCO2 ZINC000841659940 635166788 /nfs/dbraw/zinc/16/67/88/635166788.db2.gz UBNHCCZRPYQYDS-UHFFFAOYSA-N 1 0 246.270 0.341 20 30 BCEDRO Cc1cccc(C=NNC2=[NH+]CCN2)c1 ZINC000841663488 635191336 /nfs/dbraw/zinc/19/13/36/635191336.db2.gz ZHDBVYLUXIRIPY-UHFFFAOYSA-N 1 0 202.261 0.878 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001027896318 635198804 /nfs/dbraw/zinc/19/88/04/635198804.db2.gz MWRZYLXPVZUIDM-OBJOEFQTSA-N 1 0 248.326 0.237 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000980445368 635222862 /nfs/dbraw/zinc/22/28/62/635222862.db2.gz HHRSIPNOMGGHQH-CYBMUJFWSA-N 1 0 245.326 0.723 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000980445369 635223681 /nfs/dbraw/zinc/22/36/81/635223681.db2.gz HHRSIPNOMGGHQH-ZDUSSCGKSA-N 1 0 245.326 0.723 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)C(F)F)CC1 ZINC000980590349 635238677 /nfs/dbraw/zinc/23/86/77/635238677.db2.gz CMIRHPLEBKWENU-UHFFFAOYSA-N 1 0 230.258 0.809 20 30 BCEDRO C=CCC[N@H+]1CCCN(C(=O)COC)CC1 ZINC000980580219 635240052 /nfs/dbraw/zinc/24/00/52/635240052.db2.gz QTTQXWJRYWOWGJ-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C#CCOCCC(=O)N1CC[NH+](C(C)C)CC1 ZINC000162976201 635276991 /nfs/dbraw/zinc/27/69/91/635276991.db2.gz NYCNUWIFRUEEHS-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)c2cocn2)CC1 ZINC000980830873 635281220 /nfs/dbraw/zinc/28/12/20/635281220.db2.gz HRJNZMHAGPRLDE-UHFFFAOYSA-N 1 0 247.298 0.846 20 30 BCEDRO C#CCN1CCCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000980833037 635283119 /nfs/dbraw/zinc/28/31/19/635283119.db2.gz AZASTOLATIRXGC-CYBMUJFWSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccon2)C1 ZINC000980935028 635303552 /nfs/dbraw/zinc/30/35/52/635303552.db2.gz IBRHORJZNBRNRF-MNOVXSKESA-N 1 0 247.298 0.938 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC000980940866 635304926 /nfs/dbraw/zinc/30/49/26/635304926.db2.gz NXTRILLZEHVNHH-NWDGAFQWSA-N 1 0 246.314 0.674 20 30 BCEDRO C#CCN1CCCN(C(=O)c2n[nH]cc2C)CC1 ZINC000981133042 635322030 /nfs/dbraw/zinc/32/20/30/635322030.db2.gz GFXZQGPOQSEGGF-UHFFFAOYSA-N 1 0 246.314 0.499 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1[nH]nnc1C ZINC001028064147 635341761 /nfs/dbraw/zinc/34/17/61/635341761.db2.gz DMBZVFUJNMZYAP-SNVBAGLBSA-N 1 0 249.318 0.493 20 30 BCEDRO C[C@H]1OCC[C@]1(C)[NH2+]CC(=O)NCCC#N ZINC000235638673 635584579 /nfs/dbraw/zinc/58/45/79/635584579.db2.gz VGAHEVKBKYMTJY-KOLCDFICSA-N 1 0 225.292 0.173 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CC)C(=O)NC ZINC000909420730 636023392 /nfs/dbraw/zinc/02/33/92/636023392.db2.gz KSARZDVAJJGUNC-JTQLQIEISA-N 1 0 241.335 0.135 20 30 BCEDRO C=C(Br)CNC(NC)=[NH+]C ZINC000195522746 636066546 /nfs/dbraw/zinc/06/65/46/636066546.db2.gz YGYZAFZNKWEVNM-UHFFFAOYSA-N 1 0 206.087 0.690 20 30 BCEDRO NC(=[NH2+])NN=Cc1nccn1CC(F)(F)F ZINC000727687835 636178378 /nfs/dbraw/zinc/17/83/78/636178378.db2.gz QEKGSJMIPWZKPT-UHFFFAOYSA-N 1 0 234.185 0.262 20 30 BCEDRO C#CCN(C(=O)[C@H]1CCC[N@@H+]1C)C(C)C ZINC000928623672 636212304 /nfs/dbraw/zinc/21/23/04/636212304.db2.gz XHPBCYVZQRQUID-LLVKDONJSA-N 1 0 208.305 0.951 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCCS2)CCO1 ZINC000262447672 636265384 /nfs/dbraw/zinc/26/53/84/636265384.db2.gz JERQRIVYEZYSSE-ZJUUUORDSA-N 1 0 243.376 0.917 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C(C)(C)F)CC1 ZINC000928654973 636271540 /nfs/dbraw/zinc/27/15/40/636271540.db2.gz OHYQUXJDUCYFAK-UHFFFAOYSA-N 1 0 226.295 0.948 20 30 BCEDRO C[NH+]=C(NCCCOCCOC)NC1CC1 ZINC000303401322 636310406 /nfs/dbraw/zinc/31/04/06/636310406.db2.gz LXZFVUFSNJLLGG-UHFFFAOYSA-N 1 0 229.324 0.367 20 30 BCEDRO COC(=O)[C@H](C)CNC(=[NH2+])NC(C)(C)C ZINC000303990914 636319889 /nfs/dbraw/zinc/31/98/89/636319889.db2.gz ZASBIEVSTQVKOG-SSDOTTSWSA-N 1 0 215.297 0.498 20 30 BCEDRO NC(=[NH2+])NCCCSc1nccs1 ZINC000304330929 636322958 /nfs/dbraw/zinc/32/29/58/636322958.db2.gz RGVILYJSKZXUQA-UHFFFAOYSA-N 1 0 216.335 0.899 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCC1(C)OCCO1 ZINC000305811103 636333203 /nfs/dbraw/zinc/33/32/03/636333203.db2.gz JHBVBDRFNWBYSX-VIFPVBQESA-N 1 0 245.323 0.079 20 30 BCEDRO C#CCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841921893 636348326 /nfs/dbraw/zinc/34/83/26/636348326.db2.gz MGUAEFCHGKPUIY-JTQLQIEISA-N 1 0 209.293 0.451 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)F)[C@H]1C ZINC000985843684 636430029 /nfs/dbraw/zinc/43/00/29/636430029.db2.gz RABJRZJUKIMMAL-VHSXEESVSA-N 1 0 226.295 0.947 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC2CC2)[C@H]1C ZINC000985848425 636431322 /nfs/dbraw/zinc/43/13/22/636431322.db2.gz FOXUVNSNJQFZGS-CMPLNLGQSA-N 1 0 220.316 0.999 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@@H]2CCC[N@H+]2C)cn1 ZINC000728963405 636435542 /nfs/dbraw/zinc/43/55/42/636435542.db2.gz AIFCTBQGGJKCCB-ZDUSSCGKSA-N 1 0 243.310 0.887 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@H]2CCC[N@H+]2C)nc1 ZINC000728965292 636436663 /nfs/dbraw/zinc/43/66/63/636436663.db2.gz RLZIHVUWMMNKSI-GFCCVEGCSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1C ZINC000985946964 636455072 /nfs/dbraw/zinc/45/50/72/636455072.db2.gz SYQZZNZZFSZEPH-JQWIXIFHSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CSC)[C@@H]1C ZINC000985945153 636455814 /nfs/dbraw/zinc/45/58/14/636455814.db2.gz VHVNHFLICXLLLQ-NXEZZACHSA-N 1 0 226.345 0.562 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cccn2)[C@@H]1C ZINC000985968475 636457845 /nfs/dbraw/zinc/45/78/45/636457845.db2.gz FUDLDAFTWDCTTD-VXGBXAGGSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc[nH]2)[C@@H]1C ZINC000985976585 636459274 /nfs/dbraw/zinc/45/92/74/636459274.db2.gz ZWTDJVDCIMKCAE-GHMZBOCLSA-N 1 0 231.299 0.841 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1C ZINC000985976588 636459478 /nfs/dbraw/zinc/45/94/78/636459478.db2.gz ZWTDJVDCIMKCAE-WDEREUQCSA-N 1 0 231.299 0.841 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccon2)[C@@H]1C ZINC000986009813 636468029 /nfs/dbraw/zinc/46/80/29/636468029.db2.gz ZQZPQOMZPREECB-NXEZZACHSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cncs2)[C@@H]1C ZINC000986016121 636469470 /nfs/dbraw/zinc/46/94/70/636469470.db2.gz FHRAGUXOXJHFPF-ZJUUUORDSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)[C@H]1C ZINC000986032079 636473340 /nfs/dbraw/zinc/47/33/40/636473340.db2.gz HZXYSASLVSBSGS-ONGXEEELSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c2)[C@@H]1C ZINC000986032077 636473465 /nfs/dbraw/zinc/47/34/65/636473465.db2.gz HZXYSASLVSBSGS-MWLCHTKSSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ccon2)[C@@H]1C ZINC000986058586 636482330 /nfs/dbraw/zinc/48/23/30/636482330.db2.gz UEMBTDFLDWGHKN-PWSUYJOCSA-N 1 0 247.298 0.429 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccnn2C)[C@H]1C ZINC000986061744 636484237 /nfs/dbraw/zinc/48/42/37/636484237.db2.gz GMKRMAYLDSRMEE-QWRGUYRKSA-N 1 0 246.314 0.246 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC000986088382 636498150 /nfs/dbraw/zinc/49/81/50/636498150.db2.gz BLHIJESBHSKKFY-VHSXEESVSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ocnc2C)[C@@H]1C ZINC000986109489 636509569 /nfs/dbraw/zinc/50/95/69/636509569.db2.gz RZJXWYRWTOGZTM-MNOVXSKESA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2=CCOCC2)[C@@H]1C ZINC000986168303 636537423 /nfs/dbraw/zinc/53/74/23/636537423.db2.gz GAYIVCMFJUPCQU-DGCLKSJQSA-N 1 0 248.326 0.545 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2=CCOCC2)[C@H]1C ZINC000986168304 636537953 /nfs/dbraw/zinc/53/79/53/636537953.db2.gz GAYIVCMFJUPCQU-WCQYABFASA-N 1 0 248.326 0.545 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(C)c2)[C@H]1C ZINC000986164757 636538582 /nfs/dbraw/zinc/53/85/82/636538582.db2.gz VXOMOMZIEGSJOP-AAEUAGOBSA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2=CCOCC2)[C@@H]1C ZINC000986168306 636539127 /nfs/dbraw/zinc/53/91/27/636539127.db2.gz GAYIVCMFJUPCQU-YPMHNXCESA-N 1 0 248.326 0.545 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cncnc2)[C@@H]1C ZINC000986195794 636543278 /nfs/dbraw/zinc/54/32/78/636543278.db2.gz XESKHXHJGKTHQP-PWSUYJOCSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC(C)(C)O)[C@@H]1C ZINC000986208776 636544464 /nfs/dbraw/zinc/54/44/64/636544464.db2.gz BGWPOTOPHLCDDM-GHMZBOCLSA-N 1 0 238.331 0.360 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2n[nH]cc2C)[C@@H]1C ZINC000986277265 636551197 /nfs/dbraw/zinc/55/11/97/636551197.db2.gz JHAPTVLLJQOSTG-GHMZBOCLSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccns2)[C@@H]1C ZINC000986331961 636553365 /nfs/dbraw/zinc/55/33/65/636553365.db2.gz KUKLRHHEUVOMER-ZJUUUORDSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccns2)[C@H]1C ZINC000986331958 636553954 /nfs/dbraw/zinc/55/39/54/636553954.db2.gz KUKLRHHEUVOMER-VHSXEESVSA-N 1 0 249.339 0.969 20 30 BCEDRO C[NH+]1CCC(C=NN2CCOCC2)CC1 ZINC000872326470 636577480 /nfs/dbraw/zinc/57/74/80/636577480.db2.gz KFWHYDVOXXHQNW-UHFFFAOYSA-N 1 0 211.309 0.646 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2conc2C)[C@@H]1C ZINC000986792142 636584784 /nfs/dbraw/zinc/58/47/84/636584784.db2.gz GIRNDRONAKRMPE-ZYHUDNBSSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccnn2)[C@@H]1C ZINC000987234147 636642529 /nfs/dbraw/zinc/64/25/29/636642529.db2.gz JLDTWGIOXJBFSF-GHMZBOCLSA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cccnn2)[C@@H]1C ZINC000987233719 636642757 /nfs/dbraw/zinc/64/27/57/636642757.db2.gz HFRJLMHLRFJHAY-MNOVXSKESA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nccs2)[C@@H]1C ZINC000987231849 636642990 /nfs/dbraw/zinc/64/29/90/636642990.db2.gz YFEYPLMCJYEHJA-NXEZZACHSA-N 1 0 249.339 0.969 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cccnn2)[C@H]1C ZINC000987233720 636643439 /nfs/dbraw/zinc/64/34/39/636643439.db2.gz HFRJLMHLRFJHAY-QWRGUYRKSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000321439637 636646573 /nfs/dbraw/zinc/64/65/73/636646573.db2.gz MKTFRPHUVRRZTP-GARJFASQSA-N 1 0 226.320 0.570 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]1C ZINC000987525575 636652915 /nfs/dbraw/zinc/65/29/15/636652915.db2.gz PCLGPAYVPWSBHJ-GHMZBOCLSA-N 1 0 248.330 0.799 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1C ZINC000987606297 636654531 /nfs/dbraw/zinc/65/45/31/636654531.db2.gz WFSMVAJEHOZNIC-RYUDHWBXSA-N 1 0 248.330 0.648 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2[nH]cnc2C)[C@H]1C ZINC000987624395 636655853 /nfs/dbraw/zinc/65/58/53/636655853.db2.gz FJAUVHWYUORSPQ-QWRGUYRKSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2[nH]cnc2C)[C@@H]1C ZINC000987624389 636656505 /nfs/dbraw/zinc/65/65/05/636656505.db2.gz FJAUVHWYUORSPQ-GHMZBOCLSA-N 1 0 246.314 0.544 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)COC)C1 ZINC000987659568 636659158 /nfs/dbraw/zinc/65/91/58/636659158.db2.gz ULRVYRLPKXMRPE-NXEZZACHSA-N 1 0 246.738 0.964 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C(C)(F)F)C1 ZINC000987741514 636665551 /nfs/dbraw/zinc/66/55/51/636665551.db2.gz DDAIVKDXBBHOAW-BDAKNGLRSA-N 1 0 230.258 0.854 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C(C)(C)F)C1 ZINC000987768576 636668044 /nfs/dbraw/zinc/66/80/44/636668044.db2.gz DWXRLESBBPBURD-ZJUUUORDSA-N 1 0 226.295 0.947 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CCC)C1 ZINC000987839936 636670681 /nfs/dbraw/zinc/67/06/81/636670681.db2.gz IXICIQRFSXMFAA-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc([N+](=O)[O-])s1 ZINC000263601618 636680224 /nfs/dbraw/zinc/68/02/24/636680224.db2.gz LIMHSTZRYMWFSE-UHFFFAOYSA-N 1 0 213.222 0.473 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cn[nH]c2)C1 ZINC000988188732 636682128 /nfs/dbraw/zinc/68/21/28/636682128.db2.gz JLDDZUBQSNIHIN-MWLCHTKSSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ncoc2C)C1 ZINC000988308187 636686782 /nfs/dbraw/zinc/68/67/82/636686782.db2.gz HXRHBEIHFNZRAR-MWLCHTKSSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2c[nH]c(C)n2)C1 ZINC000988371960 636699270 /nfs/dbraw/zinc/69/92/70/636699270.db2.gz YSVRFCYWPNFUAU-KOLCDFICSA-N 1 0 246.314 0.544 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cc[nH]n2)C1 ZINC000988442410 636714388 /nfs/dbraw/zinc/71/43/88/636714388.db2.gz YTARLYDOHOSRJE-CMPLNLGQSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ocnc2C)C1 ZINC000988554897 636737563 /nfs/dbraw/zinc/73/75/63/636737563.db2.gz QTNZIZIJUINNCM-MWLCHTKSSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2coc(C)n2)C1 ZINC000988666440 636754452 /nfs/dbraw/zinc/75/44/52/636754452.db2.gz KHGLMTIPSFOTRW-KOLCDFICSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cncnc2)C1 ZINC000988680357 636758369 /nfs/dbraw/zinc/75/83/69/636758369.db2.gz ROKMAEJFRCMCLM-CMPLNLGQSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cncnc2)C1 ZINC000988680362 636758640 /nfs/dbraw/zinc/75/86/40/636758640.db2.gz ROKMAEJFRCMCLM-JQWIXIFHSA-N 1 0 244.298 0.302 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000252661356 636771202 /nfs/dbraw/zinc/77/12/02/636771202.db2.gz IPVRERSAVYLMQX-VWYCJHECSA-N 1 0 237.303 0.125 20 30 BCEDRO C[C@H]1C[C@@H]([NH2+]CCF)CN1C(=O)C#CC1CC1 ZINC000988807614 636787457 /nfs/dbraw/zinc/78/74/57/636787457.db2.gz XOWLGRIYOXUNQG-CMPLNLGQSA-N 1 0 238.306 0.948 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2c[nH]nc2C)C1 ZINC000989264888 636811048 /nfs/dbraw/zinc/81/10/48/636811048.db2.gz AAMAKVSCBVSJAQ-GXSJLCMTSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[N@H+](C)CCCN1C(=O)N[C@H](C2CC2)C1=O ZINC000925307883 636811272 /nfs/dbraw/zinc/81/12/72/636811272.db2.gz OMEWQAQHUYHTTC-LLVKDONJSA-N 1 0 249.314 0.272 20 30 BCEDRO C#CCCN1CCN(C(=O)[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000729527554 636817328 /nfs/dbraw/zinc/81/73/28/636817328.db2.gz PVVMPMALCZKBFJ-CYBMUJFWSA-N 1 0 249.358 0.106 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2cnoc2)C1 ZINC000989344993 636818550 /nfs/dbraw/zinc/81/85/50/636818550.db2.gz VZRIZTWSPPORPD-ZYHUDNBSSA-N 1 0 247.298 0.429 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cnoc2)C1 ZINC000989344991 636818815 /nfs/dbraw/zinc/81/88/15/636818815.db2.gz VZRIZTWSPPORPD-PWSUYJOCSA-N 1 0 247.298 0.429 20 30 BCEDRO C=C(CC)CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897933283 636847406 /nfs/dbraw/zinc/84/74/06/636847406.db2.gz WXNYLAZKXHNKIB-LBPRGKRZSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCC[C@H]1NC(=O)N(C[C@H](C)[NH+](C)C)C1=O ZINC000925319657 636854801 /nfs/dbraw/zinc/85/48/01/636854801.db2.gz KGCDJJWSALTIBE-VHSXEESVSA-N 1 0 239.319 0.823 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC000989486506 636858104 /nfs/dbraw/zinc/85/81/04/636858104.db2.gz DRGNKSGMLROWBF-CMPLNLGQSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccnnc2)C1 ZINC000989475682 636858464 /nfs/dbraw/zinc/85/84/64/636858464.db2.gz CHIJHNXESRVMPA-CMPLNLGQSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2nc(C)c[nH]2)C1 ZINC000989541287 636860662 /nfs/dbraw/zinc/86/06/62/636860662.db2.gz WSABINZUVDFALA-GHMZBOCLSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2nc(C)c[nH]2)C1 ZINC000989541288 636861955 /nfs/dbraw/zinc/86/19/55/636861955.db2.gz WSABINZUVDFALA-MNOVXSKESA-N 1 0 246.314 0.544 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccncn2)C1 ZINC000989566283 636862809 /nfs/dbraw/zinc/86/28/09/636862809.db2.gz UCBGVVCBUQZQDZ-MNOVXSKESA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2nccs2)C1 ZINC000989587528 636864803 /nfs/dbraw/zinc/86/48/03/636864803.db2.gz BKVSLWDVQKKGMX-UWVGGRQHSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2nccs2)C1 ZINC000989587531 636864941 /nfs/dbraw/zinc/86/49/41/636864941.db2.gz BKVSLWDVQKKGMX-ZJUUUORDSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC000989608065 636867617 /nfs/dbraw/zinc/86/76/17/636867617.db2.gz GYQBHOXMFHCSDR-MNOVXSKESA-N 1 0 246.314 0.164 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2nocc2C)C1 ZINC000989650513 636870992 /nfs/dbraw/zinc/87/09/92/636870992.db2.gz QMPQRMBUQIOHKC-MNOVXSKESA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn(C)n2)C1 ZINC000989792839 636879845 /nfs/dbraw/zinc/87/98/45/636879845.db2.gz GIROWEAJJWUJNA-QWRGUYRKSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2ccc[nH]2)C1 ZINC000989816536 636882183 /nfs/dbraw/zinc/88/21/83/636882183.db2.gz NTRGGLAJKXSNGV-WCQYABFASA-N 1 0 245.326 0.769 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)COC)CC1 ZINC000989827895 636883324 /nfs/dbraw/zinc/88/33/24/636883324.db2.gz GIKJSWPUYUXABV-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2ccnc2)C1 ZINC000989853064 636885446 /nfs/dbraw/zinc/88/54/46/636885446.db2.gz FBPFPPZFWOTOIE-RYUDHWBXSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[N@@H+]1CC[C@@]2(NC(C)=O)CCC[C@@H]12 ZINC000989870727 636889761 /nfs/dbraw/zinc/88/97/61/636889761.db2.gz NZXZKEOSCZLFMF-NEPJUHHUSA-N 1 0 206.289 0.753 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)[C@@H]2CCCO2)CC1 ZINC000989911536 636897302 /nfs/dbraw/zinc/89/73/02/636897302.db2.gz GCKDEMMYXROMNX-LBPRGKRZSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cccn2C)CC1 ZINC000989959115 636905860 /nfs/dbraw/zinc/90/58/60/636905860.db2.gz GMIAETNDRZJTTC-UHFFFAOYSA-N 1 0 245.326 0.853 20 30 BCEDRO C#CCN1CCC[C@H](N2C(=O)NC(C)(C)C2=O)C1 ZINC000925327414 636909457 /nfs/dbraw/zinc/90/94/57/636909457.db2.gz WBBNIZKTTQMJPG-JTQLQIEISA-N 1 0 249.314 0.414 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cc(C)n[nH]2)CC1 ZINC000990067535 636917077 /nfs/dbraw/zinc/91/70/77/636917077.db2.gz PSTGDBBPWJKMQP-UHFFFAOYSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000990101780 636917674 /nfs/dbraw/zinc/91/76/74/636917674.db2.gz AARWBKNCCVQAPV-SNVBAGLBSA-N 1 0 226.320 0.788 20 30 BCEDRO C[C@@H](O)C[NH2+]C1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000990315349 636927141 /nfs/dbraw/zinc/92/71/41/636927141.db2.gz SXDOHFHUCVSBMI-VHSXEESVSA-N 1 0 239.319 0.107 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925332498 636930804 /nfs/dbraw/zinc/93/08/04/636930804.db2.gz WDOVIVNEAMEUSP-AEJSXWLSSA-N 1 0 211.309 0.953 20 30 BCEDRO C=CCC[C@H](CC)[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927035786 637009059 /nfs/dbraw/zinc/00/90/59/637009059.db2.gz XRDOYZQYHDEVTD-QWRGUYRKSA-N 1 0 249.376 0.726 20 30 BCEDRO CN(CCC#N)C(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900356774 637182424 /nfs/dbraw/zinc/18/24/24/637182424.db2.gz OCMFUYUSIGXWRH-GFCCVEGCSA-N 1 0 239.319 0.205 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C#N)CC ZINC000900470918 637188562 /nfs/dbraw/zinc/18/85/62/637188562.db2.gz DRKURUHLOIJBKB-SNVBAGLBSA-N 1 0 209.293 0.913 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CCCO)C1CC1 ZINC000901259600 637236603 /nfs/dbraw/zinc/23/66/03/637236603.db2.gz YJFCUPJZOZDOGZ-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CO)CC1CC1 ZINC000901297636 637240896 /nfs/dbraw/zinc/24/08/96/637240896.db2.gz ZHSFOLOYCYQAID-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCCON)c1 ZINC000904457039 637418986 /nfs/dbraw/zinc/41/89/86/637418986.db2.gz KQMZJAKOSMQCGL-UHFFFAOYSA-N 1 0 205.261 0.928 20 30 BCEDRO C#CCNC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000905004403 637541257 /nfs/dbraw/zinc/54/12/57/637541257.db2.gz JVRANASVHGAQQN-NXEZZACHSA-N 1 0 209.293 0.246 20 30 BCEDRO C[C@@H](C#N)C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905107201 637614554 /nfs/dbraw/zinc/61/45/54/637614554.db2.gz WMMWQHMDHIINJW-WDEREUQCSA-N 1 0 226.320 0.792 20 30 BCEDRO C[C@H](C#N)C[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905107198 637615138 /nfs/dbraw/zinc/61/51/38/637615138.db2.gz WMMWQHMDHIINJW-GHMZBOCLSA-N 1 0 226.320 0.792 20 30 BCEDRO C#CCCCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905160279 637638731 /nfs/dbraw/zinc/63/87/31/637638731.db2.gz QYZVTCLSJOZGHM-GFCCVEGCSA-N 1 0 241.331 0.282 20 30 BCEDRO Cc1nsc(C(=O)NCC#CC[NH+](C)C)n1 ZINC000905152238 637662859 /nfs/dbraw/zinc/66/28/59/637662859.db2.gz WZTPMLMQNPOORL-UHFFFAOYSA-N 1 0 238.316 0.141 20 30 BCEDRO COc1ccc(C[NH2+]CC[N+](=O)[O-])cc1C#N ZINC000905182267 637664106 /nfs/dbraw/zinc/66/41/06/637664106.db2.gz PWUKNNGVJULBFD-UHFFFAOYSA-N 1 0 235.243 0.933 20 30 BCEDRO N#CCCC[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905205982 637695765 /nfs/dbraw/zinc/69/57/65/637695765.db2.gz WYCJWXBRRUQXQB-NSHDSACASA-N 1 0 226.320 0.936 20 30 BCEDRO C=CCCCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905220479 637701150 /nfs/dbraw/zinc/70/11/50/637701150.db2.gz RYBCWHAGWYWJQH-CHWSQXEVSA-N 1 0 243.347 0.835 20 30 BCEDRO C=CCCCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905220484 637701257 /nfs/dbraw/zinc/70/12/57/637701257.db2.gz RYBCWHAGWYWJQH-QWHCGFSZSA-N 1 0 243.347 0.835 20 30 BCEDRO N#CC1(C[NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC000905242988 637703882 /nfs/dbraw/zinc/70/38/82/637703882.db2.gz HEDBMSHTKMOWKG-SNVBAGLBSA-N 1 0 224.304 0.546 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)C1(O)CCC1)C(C)C ZINC000905245873 637706103 /nfs/dbraw/zinc/70/61/03/637706103.db2.gz XWZSCYHTZKVXSJ-WDEREUQCSA-N 1 0 211.305 0.510 20 30 BCEDRO C=CCCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905242277 637725780 /nfs/dbraw/zinc/72/57/80/637725780.db2.gz HTPAYKNIHDMHSH-LLVKDONJSA-N 1 0 229.320 0.445 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)C[C@@]1(O)CCOC1)C(C)C ZINC000905242161 637726585 /nfs/dbraw/zinc/72/65/85/637726585.db2.gz ADMLPWWLSGRVJN-AVGNSLFASA-N 1 0 241.331 0.136 20 30 BCEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)C2(O)CCC2)C1 ZINC000905275871 637733806 /nfs/dbraw/zinc/73/38/06/637733806.db2.gz YYCZMQNARQZYDH-SDDRHHMPSA-N 1 0 238.331 0.934 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905355187 637773234 /nfs/dbraw/zinc/77/32/34/637773234.db2.gz UICFXBNOKZYRRV-WDEREUQCSA-N 1 0 229.320 0.179 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000905358262 637776868 /nfs/dbraw/zinc/77/68/68/637776868.db2.gz PJHOQLRQOJEGCJ-BDAKNGLRSA-N 1 0 239.237 0.664 20 30 BCEDRO Cc1cccc([C@@H](O)C[NH2+]CC#CCO)c1 ZINC000905358981 637776900 /nfs/dbraw/zinc/77/69/00/637776900.db2.gz RNHNKFWDHFLCPO-ZDUSSCGKSA-N 1 0 219.284 0.614 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@](C)(O)C(F)F ZINC000905365390 637787871 /nfs/dbraw/zinc/78/78/71/637787871.db2.gz PFKPLGAUGMRLGW-WCBMZHEXSA-N 1 0 221.247 0.366 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905367810 637789396 /nfs/dbraw/zinc/78/93/96/637789396.db2.gz VUQMXTUCKNWSGD-RYUDHWBXSA-N 1 0 241.331 0.016 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C[C@H]1C=CCC1 ZINC000905409793 637798567 /nfs/dbraw/zinc/79/85/67/637798567.db2.gz MRIRDZRUYZAMAJ-STQMWFEESA-N 1 0 237.347 0.749 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000905452689 637809770 /nfs/dbraw/zinc/80/97/70/637809770.db2.gz OCYPPIWLEDXEOY-JGVFFNPUSA-N 1 0 227.226 0.826 20 30 BCEDRO C=C/C=C/CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000905425047 637811066 /nfs/dbraw/zinc/81/10/66/637811066.db2.gz MJLMRXRPMUKEOJ-MUBLQREKSA-N 1 0 237.347 0.915 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000905455225 637820231 /nfs/dbraw/zinc/82/02/31/637820231.db2.gz XNDLYVDNQVCMJM-NWDGAFQWSA-N 1 0 231.336 0.689 20 30 BCEDRO COC(=O)[C@@H]1C[C@@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000905489310 637835707 /nfs/dbraw/zinc/83/57/07/637835707.db2.gz BOYNPPXYBGQERM-HBNTYKKESA-N 1 0 235.287 0.829 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCS[C@H](C)C1 ZINC000905604219 637852189 /nfs/dbraw/zinc/85/21/89/637852189.db2.gz CNDDGAROGTUJKG-GHMZBOCLSA-N 1 0 240.372 1.000 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000905648512 637868763 /nfs/dbraw/zinc/86/87/63/637868763.db2.gz ISNRJANGDMAKKB-DTWKUNHWSA-N 1 0 211.334 0.176 20 30 BCEDRO C#CC[NH+]1CCC(NC(=S)NCC=C)CC1 ZINC000905655999 637872694 /nfs/dbraw/zinc/87/26/94/637872694.db2.gz AKDSJBQWXMIPNW-UHFFFAOYSA-N 1 0 237.372 0.734 20 30 BCEDRO C#CC[NH+]1CCC(NC(=S)NC2CC2)CC1 ZINC000905656416 637873050 /nfs/dbraw/zinc/87/30/50/637873050.db2.gz KMGIDHLAOBUGMU-UHFFFAOYSA-N 1 0 237.372 0.711 20 30 BCEDRO C=CC[C@H](NC[C@@H]1CC[N@H+]1CC)C(=O)OC ZINC000905802975 637933291 /nfs/dbraw/zinc/93/32/91/637933291.db2.gz AQIOERTVSHGFTR-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)C1(O)CCCC1 ZINC000905920647 637975755 /nfs/dbraw/zinc/97/57/55/637975755.db2.gz BABROTHAZYTKSW-NSHDSACASA-N 1 0 211.305 0.608 20 30 BCEDRO N#CCC1CN(C[C@@H](O)CC2(O)CCCC2)C1 ZINC000905964033 637983366 /nfs/dbraw/zinc/98/33/66/637983366.db2.gz XJCSAVJXQZFJNB-LBPRGKRZSA-N 1 0 238.331 0.888 20 30 BCEDRO C[C@@](O)(CN1CC(CC#N)C1)C(F)F ZINC000905963543 637984098 /nfs/dbraw/zinc/98/40/98/637984098.db2.gz TYSLJXSKGFJFQB-SECBINFHSA-N 1 0 204.220 0.848 20 30 BCEDRO CC(C)(C(=O)NCC#N)[NH+]1CCCCC1 ZINC000906480419 638175537 /nfs/dbraw/zinc/17/55/37/638175537.db2.gz VWBCSADIASZFNC-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1CCn1cnc(C#N)cc1=O ZINC000906507274 638196072 /nfs/dbraw/zinc/19/60/72/638196072.db2.gz JXBGOZNNRGDWIJ-LBPRGKRZSA-N 1 0 246.314 0.989 20 30 BCEDRO CC(C)C[N@@H+](CCC#N)CCOCCO ZINC000043417581 638310806 /nfs/dbraw/zinc/31/08/06/638310806.db2.gz BWGXOIXYPAIXCC-UHFFFAOYSA-N 1 0 214.309 0.867 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C[C@@H](C)O ZINC000907312050 638338459 /nfs/dbraw/zinc/33/84/59/638338459.db2.gz HJWVPKGPLBEYPA-GHMZBOCLSA-N 1 0 228.336 0.770 20 30 BCEDRO CN1C[C@@H](O)C[C@@]1(C)C(=O)NCC(C)(C)C#N ZINC000907296091 638343967 /nfs/dbraw/zinc/34/39/67/638343967.db2.gz PBQJFGRMISCQTD-CABZTGNLSA-N 1 0 239.319 0.107 20 30 BCEDRO C#CCN(C(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000907398913 638373012 /nfs/dbraw/zinc/37/30/12/638373012.db2.gz CLDMVPPKBGDXMB-UHFFFAOYSA-N 1 0 218.300 0.706 20 30 BCEDRO C=CCCCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907445259 638386314 /nfs/dbraw/zinc/38/63/14/638386314.db2.gz AGBAEZZOMPKBEM-YPMHNXCESA-N 1 0 240.347 0.914 20 30 BCEDRO C#C[C@H](NC(=O)C12CC[NH+](CC1)C2)[C@@H]1CCCO1 ZINC000907489015 638389623 /nfs/dbraw/zinc/38/96/23/638389623.db2.gz VPFXDNAOXCLBOP-RYUDHWBXSA-N 1 0 248.326 0.379 20 30 BCEDRO C#C[C@@H](C)NC(=O)c1ccnn1CC[NH+](C)C ZINC000907491015 638391166 /nfs/dbraw/zinc/39/11/66/638391166.db2.gz HDFGECGPBMFCGB-SNVBAGLBSA-N 1 0 234.303 0.196 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1CCO ZINC000907541630 638397744 /nfs/dbraw/zinc/39/77/44/638397744.db2.gz YBHBEDNYAJCAMB-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(C)CNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907520600 638403257 /nfs/dbraw/zinc/40/32/57/638403257.db2.gz DULJYIWWBQPCGL-UHFFFAOYSA-N 1 0 225.336 0.172 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC[C@@H](O)C1 ZINC000907679790 638440342 /nfs/dbraw/zinc/44/03/42/638440342.db2.gz WKIPSNUMBAIFKB-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(C)(COC)C1 ZINC000907849373 638486016 /nfs/dbraw/zinc/48/60/16/638486016.db2.gz WMJHSUPHDUZMQQ-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO C=CCCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907852011 638487177 /nfs/dbraw/zinc/48/71/77/638487177.db2.gz GZVCZWZIRMKSJL-PWSUYJOCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000907852255 638487921 /nfs/dbraw/zinc/48/79/21/638487921.db2.gz IQSGPHOTTLWQGW-CYBMUJFWSA-N 1 0 240.347 0.916 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)C(=C)CC[NH+](C)C ZINC000907978390 638534706 /nfs/dbraw/zinc/53/47/06/638534706.db2.gz QDZYQWSFBXBNKG-LBPRGKRZSA-N 1 0 238.331 0.385 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)C#CC2CC2)C1 ZINC000908011851 638547442 /nfs/dbraw/zinc/54/74/42/638547442.db2.gz HYASTTXCRIAXBR-UHFFFAOYSA-N 1 0 206.289 0.609 20 30 BCEDRO C[C@H](CC#N)C(=O)NC1CC([NH+](C)C)C1 ZINC000908013998 638549027 /nfs/dbraw/zinc/54/90/27/638549027.db2.gz YNHKKXWUQWPYJM-XNWIYYODSA-N 1 0 209.293 0.745 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@H](C)OC ZINC000908176770 638587794 /nfs/dbraw/zinc/58/77/94/638587794.db2.gz FQHFUTJTXRJDOA-NSHDSACASA-N 1 0 228.336 0.988 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](O)C1(C)C ZINC000908320581 638642386 /nfs/dbraw/zinc/64/23/86/638642386.db2.gz FMHFIHLRMJJPSA-NSHDSACASA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](O)C1(C)C ZINC000908320580 638643727 /nfs/dbraw/zinc/64/37/27/638643727.db2.gz FMHFIHLRMJJPSA-LLVKDONJSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(C#N)C1 ZINC000908398700 638696184 /nfs/dbraw/zinc/69/61/84/638696184.db2.gz ISMQKKPTWRRXGY-UHFFFAOYSA-N 1 0 207.277 0.476 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1c(C)[nH][nH]c1=O ZINC000908370299 638671423 /nfs/dbraw/zinc/67/14/23/638671423.db2.gz IYTMVNCPOGLTFH-UHFFFAOYSA-N 1 0 238.291 0.870 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H]1COC ZINC000908408920 638699504 /nfs/dbraw/zinc/69/95/04/638699504.db2.gz PKJNNASBDMAQSN-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C#CCSCC(=O)NCCC[N@@H+](C)CC#C ZINC000908436665 638714730 /nfs/dbraw/zinc/71/47/30/638714730.db2.gz UJJYWFOIQKPRQN-UHFFFAOYSA-N 1 0 238.356 0.424 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H](CC)CO ZINC000908519255 638995389 /nfs/dbraw/zinc/99/53/89/638995389.db2.gz OGWVYOIFYPQSMN-NSHDSACASA-N 1 0 228.336 0.724 20 30 BCEDRO C[NH+](C)CCONC(=O)c1ccsc1C#N ZINC000908528696 638999911 /nfs/dbraw/zinc/99/99/11/638999911.db2.gz ZZHIGNAYIKXPBQ-UHFFFAOYSA-N 1 0 239.300 0.843 20 30 BCEDRO CC#CC(=O)N1CCC(CO)([NH2+]C(C)C)CC1 ZINC000908600832 639023729 /nfs/dbraw/zinc/02/37/29/639023729.db2.gz VCGKJWYOTDLDFZ-UHFFFAOYSA-N 1 0 238.331 0.361 20 30 BCEDRO C#C[C@@H](CO)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000908618318 639036580 /nfs/dbraw/zinc/03/65/80/639036580.db2.gz LVHBUEVJIWLBBF-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908622214 639037204 /nfs/dbraw/zinc/03/72/04/639037204.db2.gz UDRVAYJSFFFRGL-UTUOFQBUSA-N 1 0 236.315 0.114 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000908622215 639038094 /nfs/dbraw/zinc/03/80/94/639038094.db2.gz UDRVAYJSFFFRGL-WOPDTQHZSA-N 1 0 236.315 0.114 20 30 BCEDRO CCC[N@@H+]1CCC[C@@H](C(=O)N[C@@H](C#N)CO)C1 ZINC000909306233 639201271 /nfs/dbraw/zinc/20/12/71/639201271.db2.gz QZONQFHFDCRDLW-MNOVXSKESA-N 1 0 239.319 0.109 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC(C)(C)c1cn[nH]n1 ZINC000909721224 639210143 /nfs/dbraw/zinc/21/01/43/639210143.db2.gz IAVJYOUFDICNHI-UHFFFAOYSA-N 1 0 237.307 0.274 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)C1CC[NH+](C)CC1 ZINC000909926142 639274580 /nfs/dbraw/zinc/27/45/80/639274580.db2.gz CKKJIROPADUZGW-GFCCVEGCSA-N 1 0 236.315 0.189 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1nccc(C)n1 ZINC000910997614 639552462 /nfs/dbraw/zinc/55/24/62/639552462.db2.gz LRMWCXIMAGQELJ-UHFFFAOYSA-N 1 0 248.330 0.909 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1COC[C@H]1OC ZINC000911533404 639658199 /nfs/dbraw/zinc/65/81/99/639658199.db2.gz GBQCONALRLGVAN-GHMZBOCLSA-N 1 0 242.319 0.024 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](O)C1(O)CCOCC1 ZINC000930252979 639663657 /nfs/dbraw/zinc/66/36/57/639663657.db2.gz IQWJCPBMJQLOAX-NSHDSACASA-N 1 0 229.320 0.397 20 30 BCEDRO C[C@H]1CN(C[C@H](O)CC#N)C[C@@H](C2CC2)O1 ZINC000930268467 639673409 /nfs/dbraw/zinc/67/34/09/639673409.db2.gz BJYFVXZBDRHDPT-WCQGTBRESA-N 1 0 224.304 0.760 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)CCOC2CC2)C1=O ZINC000930310090 639696249 /nfs/dbraw/zinc/69/62/49/639696249.db2.gz ANSAKQOAVCCSAY-LBPRGKRZSA-N 1 0 238.331 0.884 20 30 BCEDRO CSCCC[N@H+](C)C[C@H](O)CC#N ZINC000930318311 639700949 /nfs/dbraw/zinc/70/09/49/639700949.db2.gz OFCLSKWTNPNXCS-SECBINFHSA-N 1 0 202.323 0.946 20 30 BCEDRO CCN(Cc1cncc(C#N)c1)[C@H]1CCNC1=O ZINC000930322835 639703430 /nfs/dbraw/zinc/70/34/30/639703430.db2.gz DBVWKJSGJZFAQW-LBPRGKRZSA-N 1 0 244.298 0.664 20 30 BCEDRO N#CC1(C(=O)N[C@H]2CC[NH2+]C2)CCSCC1 ZINC000911699049 639733598 /nfs/dbraw/zinc/73/35/98/639733598.db2.gz OKYZYQQNXWASAC-VIFPVBQESA-N 1 0 239.344 0.501 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000911719685 639744086 /nfs/dbraw/zinc/74/40/86/639744086.db2.gz NLUGXZXACPBOQD-NHCYSSNCSA-N 1 0 226.320 0.428 20 30 BCEDRO CCOC[C@@H]([NH2+]C[C@H](O)CC#N)C(C)C ZINC000930434405 639752591 /nfs/dbraw/zinc/75/25/91/639752591.db2.gz AATSLHVBGZDGOW-GHMZBOCLSA-N 1 0 214.309 0.912 20 30 BCEDRO CO[C@H]1[C@H]2[C@H]3C[C@@H]1C[C@H]3C[N@@H+]2C[C@H](O)CC#N ZINC000930453528 639756356 /nfs/dbraw/zinc/75/63/56/639756356.db2.gz QEHGUCHRMYHYEK-ASHHDVGLSA-N 1 0 236.315 0.616 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CCC[NH2+]C1 ZINC000911704551 639757337 /nfs/dbraw/zinc/75/73/37/639757337.db2.gz UUUHDVWFTSDXER-GXSJLCMTSA-N 1 0 212.293 0.039 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@H](C[NH3+])C1 ZINC000911707658 639759911 /nfs/dbraw/zinc/75/99/11/639759911.db2.gz PGGJVUKBCMVBEV-KOLCDFICSA-N 1 0 212.293 0.121 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000911707657 639760447 /nfs/dbraw/zinc/76/04/47/639760447.db2.gz PGGJVUKBCMVBEV-GXSJLCMTSA-N 1 0 212.293 0.121 20 30 BCEDRO COc1cc(C#N)ccc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000911737507 639764554 /nfs/dbraw/zinc/76/45/54/639764554.db2.gz AYYZRGYRBBNQPN-JTQLQIEISA-N 1 0 245.282 0.740 20 30 BCEDRO CC[NH2+]CCNC(=O)c1ccc(C#N)cc1OC ZINC000911750167 639775885 /nfs/dbraw/zinc/77/58/85/639775885.db2.gz GPKSSXASLFKWCB-UHFFFAOYSA-N 1 0 247.298 0.906 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000911752783 639780834 /nfs/dbraw/zinc/78/08/34/639780834.db2.gz GMYHDFCGRCYBPW-BXKDBHETSA-N 1 0 226.320 0.509 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000911764688 639791118 /nfs/dbraw/zinc/79/11/18/639791118.db2.gz OHZDKYKMSGQSCL-YPMHNXCESA-N 1 0 234.299 0.740 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000911782727 639799802 /nfs/dbraw/zinc/79/98/02/639799802.db2.gz LQRMMMCCCMXFGX-QJPTWQEYSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCc1ccc(N)cc1 ZINC000911782722 639800221 /nfs/dbraw/zinc/80/02/21/639800221.db2.gz LNRDIZQRDIZRLR-UHFFFAOYSA-N 1 0 231.299 0.150 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCCN(C=O)CC1 ZINC000930535784 639803757 /nfs/dbraw/zinc/80/37/57/639803757.db2.gz KOECUGMXOCYDMX-NSHDSACASA-N 1 0 212.293 0.088 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC([NH2+]C)CC1 ZINC000911787475 639805551 /nfs/dbraw/zinc/80/55/51/639805551.db2.gz RQGRAONBQSCLBD-LLVKDONJSA-N 1 0 212.293 0.134 20 30 BCEDRO CN(CCC#N)C(=O)COC1CC[NH+](C)CC1 ZINC000930592783 639815180 /nfs/dbraw/zinc/81/51/80/639815180.db2.gz GKEPLJHLGMRBDM-UHFFFAOYSA-N 1 0 239.319 0.469 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000930602055 639816379 /nfs/dbraw/zinc/81/63/79/639816379.db2.gz XXQUVUACVPJJSJ-RYUDHWBXSA-N 1 0 241.331 0.280 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000930600848 639816502 /nfs/dbraw/zinc/81/65/02/639816502.db2.gz OAEIEIDOOYBODX-QWRGUYRKSA-N 1 0 211.305 0.654 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000930600063 639816757 /nfs/dbraw/zinc/81/67/57/639816757.db2.gz FMZXAKLIOWYFNP-JHJVBQTASA-N 1 0 241.331 0.280 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000930600846 639816771 /nfs/dbraw/zinc/81/67/71/639816771.db2.gz OAEIEIDOOYBODX-GHMZBOCLSA-N 1 0 211.305 0.654 20 30 BCEDRO C[C@H]([N@H+](C)C[C@H](O)CC#N)C(C)(C)O ZINC000930614046 639822246 /nfs/dbraw/zinc/82/22/46/639822246.db2.gz SLANFDLFJLKEAV-DTWKUNHWSA-N 1 0 200.282 0.352 20 30 BCEDRO C#CCNCC(=O)Nc1ccc2c(c1)C[NH2+]CC2 ZINC000911808111 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ZINC000911863189 639849569 /nfs/dbraw/zinc/84/95/69/639849569.db2.gz AWKQBNJQZZEQGF-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CC[C@H](CCCO)C1 ZINC000930675941 639857693 /nfs/dbraw/zinc/85/76/93/639857693.db2.gz MWHVBEFMQXKAPV-WDEREUQCSA-N 1 0 212.293 0.355 20 30 BCEDRO C#CCNCC(=O)Nc1ccc([C@H](C)[NH3+])cc1 ZINC000911849218 639858279 /nfs/dbraw/zinc/85/82/79/639858279.db2.gz YUERCIMRCFEWGH-JTQLQIEISA-N 1 0 231.299 0.868 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000930693596 639861754 /nfs/dbraw/zinc/86/17/54/639861754.db2.gz QUIDCKIXIURFRZ-VHSXEESVSA-N 1 0 212.293 0.544 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H](C[NH3+])CCCC ZINC000911879434 639864747 /nfs/dbraw/zinc/86/47/47/639864747.db2.gz GKNPLXATHDLZJG-ONGXEEELSA-N 1 0 214.309 0.557 20 30 BCEDRO CC[N@@H+]1CCCN(C[C@H](O)CC#N)[C@@H](C)C1 ZINC000930711183 639876257 /nfs/dbraw/zinc/87/62/57/639876257.db2.gz HXWVAXRHQCMQHP-NWDGAFQWSA-N 1 0 225.336 0.677 20 30 BCEDRO 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0.200 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](C[C@H](O)CC#N)C1 ZINC000930816039 639914722 /nfs/dbraw/zinc/91/47/22/639914722.db2.gz HWVUMIQBMQPVFA-NWDGAFQWSA-N 1 0 206.289 0.996 20 30 BCEDRO CCOCCOCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000930819165 639922504 /nfs/dbraw/zinc/92/25/04/639922504.db2.gz SWFVPTCVEUICTQ-LBPRGKRZSA-N 1 0 242.319 0.390 20 30 BCEDRO C#CC1CC[NH+](C[C@@H]2CCCS2(=O)=O)CC1 ZINC000930822773 639925509 /nfs/dbraw/zinc/92/55/09/639925509.db2.gz UILJHCJKYOTUMP-LBPRGKRZSA-N 1 0 241.356 0.909 20 30 BCEDRO C#CCCC[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000930839395 639939260 /nfs/dbraw/zinc/93/92/60/639939260.db2.gz WYXOSEDCCCIGCH-GARJFASQSA-N 1 0 208.305 0.997 20 30 BCEDRO CN(CC[NH+]1CCCCC1)C[C@H](O)CC#N ZINC000930865593 639960611 /nfs/dbraw/zinc/96/06/11/639960611.db2.gz ROVHQYYTHMDZQB-GFCCVEGCSA-N 1 0 225.336 0.679 20 30 BCEDRO C[N@@H+]1CCN(C[C@H](O)CC#N)C[C@@H]1C(C)(C)C ZINC000930883708 639970576 /nfs/dbraw/zinc/97/05/76/639970576.db2.gz UXULBRCYXCKTRU-VXGBXAGGSA-N 1 0 239.363 0.923 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCN(OC)C2=O)C1 ZINC000930886610 639974535 /nfs/dbraw/zinc/97/45/35/639974535.db2.gz UUKDWJHFNPYGDB-GHMZBOCLSA-N 1 0 222.288 0.494 20 30 BCEDRO C#CCOCC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@@H]1C ZINC000930910730 639980401 /nfs/dbraw/zinc/98/04/01/639980401.db2.gz HPJYSKWZLMVDMG-WOPDTQHZSA-N 1 0 238.331 0.611 20 30 BCEDRO C[C@@H]1CC[C@H](C(N)=O)[C@@H](C)[N@@H+]1CCC#N ZINC000930918063 639988981 /nfs/dbraw/zinc/98/89/81/639988981.db2.gz YCMCVQYACJCFHQ-BBBLOLIVSA-N 1 0 209.293 0.874 20 30 BCEDRO C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000930922495 639990211 /nfs/dbraw/zinc/99/02/11/639990211.db2.gz LFHOAWDLMKALNO-AXFHLTTASA-N 1 0 212.293 0.354 20 30 BCEDRO C[C@@H](CO)[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930967385 640005529 /nfs/dbraw/zinc/00/55/29/640005529.db2.gz WAFRDHRZFNXQPZ-QJPTWQEYSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@H]1CCC[N@H+](C[C@H](O)CC#N)[C@@H]1CCO ZINC000930972150 640006346 /nfs/dbraw/zinc/00/63/46/640006346.db2.gz 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/nfs/dbraw/zinc/04/03/22/640040322.db2.gz BMTJZFUGACHKEW-GRYCIOLGSA-N 1 0 237.347 0.149 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931046387 640041204 /nfs/dbraw/zinc/04/12/04/640041204.db2.gz JILRGDCLTVYARI-SRVKXCTJSA-N 1 0 239.363 0.702 20 30 BCEDRO COC(=O)[C@H]1C[C@@H]([N@H+](C)C[C@H](O)CC#N)C1 ZINC000931066084 640052559 /nfs/dbraw/zinc/05/25/59/640052559.db2.gz VDUZTSUVAHUESO-KXUCPTDWSA-N 1 0 226.276 0.144 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC[S@](=O)C(F)(F)F ZINC000931068186 640055978 /nfs/dbraw/zinc/05/59/78/640055978.db2.gz WUKORHDKRXRRQK-RCNPXXIZSA-N 1 0 231.239 0.391 20 30 BCEDRO C[C@H]1C[N@H+](C[C@H](O)CC#N)C[C@]1(C)CO ZINC000931067556 640056648 /nfs/dbraw/zinc/05/66/48/640056648.db2.gz WEBWZXUOBUHSGP-HBNTYKKESA-N 1 0 212.293 0.211 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC[S@@](=O)C(F)(F)F ZINC000931068187 640057063 /nfs/dbraw/zinc/05/70/63/640057063.db2.gz WUKORHDKRXRRQK-RWBAJPLHSA-N 1 0 231.239 0.391 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](O)CC ZINC000912462924 640070308 /nfs/dbraw/zinc/07/03/08/640070308.db2.gz UHADETWPWWZHPT-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=C1CN(C(=O)C[C@@]2(O)CCC[N@@H+](C)C2)C1 ZINC000912445700 640076187 /nfs/dbraw/zinc/07/61/87/640076187.db2.gz COEYASYFYMMFJS-LBPRGKRZSA-N 1 0 224.304 0.232 20 30 BCEDRO C=C1CN(C(=O)CNc2ccccn2)C1 ZINC000912446546 640077306 /nfs/dbraw/zinc/07/73/06/640077306.db2.gz UZFLWURSSJQPOW-UHFFFAOYSA-N 1 0 203.245 0.892 20 30 BCEDRO C#CC1(O)CC[NH+]([C@@H](CO)C(=C)C)CC1 ZINC000931151370 640078850 /nfs/dbraw/zinc/07/88/50/640078850.db2.gz SFMNJVYOIFPKJE-NSHDSACASA-N 1 0 209.289 0.384 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H](O)c2ccccn2)CC1 ZINC000931151735 640080652 /nfs/dbraw/zinc/08/06/52/640080652.db2.gz RHQXODADYIBGLX-CYBMUJFWSA-N 1 0 246.310 0.575 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H](O)c2ccccn2)CC1 ZINC000931151736 640081060 /nfs/dbraw/zinc/08/10/60/640081060.db2.gz RHQXODADYIBGLX-ZDUSSCGKSA-N 1 0 246.310 0.575 20 30 BCEDRO CC[NH+]=C(NCC(=O)N(C)CC)NC(C)(C)C ZINC000912499131 640095551 /nfs/dbraw/zinc/09/55/51/640095551.db2.gz LNARASZAIIBLEW-UHFFFAOYSA-N 1 0 242.367 0.818 20 30 BCEDRO C[NH+]=C(NC[C@H]1CCOC1)NC(C)(C)C ZINC000912497065 640096081 /nfs/dbraw/zinc/09/60/81/640096081.db2.gz NHZXRGAYCMSNEE-SECBINFHSA-N 1 0 213.325 0.986 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCNC(=O)CC1(C)C ZINC000931203754 640103271 /nfs/dbraw/zinc/10/32/71/640103271.db2.gz WHQRKPFOOIVXHP-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H]1[C@H](C)O ZINC000912515819 640106505 /nfs/dbraw/zinc/10/65/05/640106505.db2.gz JDAULMNXGMVHJT-NWDGAFQWSA-N 1 0 240.347 0.866 20 30 BCEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000931258908 640118222 /nfs/dbraw/zinc/11/82/22/640118222.db2.gz MNWZAVLEYCBSSO-DAWVFNFOSA-N 1 0 212.293 0.662 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@@H](C#N)CCC#N)C[C@H]21 ZINC000931282645 640136430 /nfs/dbraw/zinc/13/64/30/640136430.db2.gz GJAHQIGGHMHZSQ-NDBYEHHHSA-N 1 0 232.331 0.922 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931282275 640136438 /nfs/dbraw/zinc/13/64/38/640136438.db2.gz OESBLBXUBVOEGL-NNYUYHANSA-N 1 0 237.347 0.169 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(C[C@H](C#N)CCC#N)C[C@H]21 ZINC000931282646 640136836 /nfs/dbraw/zinc/13/68/36/640136836.db2.gz GJAHQIGGHMHZSQ-WUHRBBMRSA-N 1 0 232.331 0.922 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1CSC1 ZINC000912632040 640148685 /nfs/dbraw/zinc/14/86/85/640148685.db2.gz ZDDURDLMCBNHKU-UHFFFAOYSA-N 1 0 200.307 0.336 20 30 BCEDRO CCN(C(=O)C12CC[NH+](CC1)C2)[C@H](C)C#N ZINC000912687140 640164629 /nfs/dbraw/zinc/16/46/29/640164629.db2.gz KBIARSJIJUBFQQ-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000912716482 640174514 /nfs/dbraw/zinc/17/45/14/640174514.db2.gz HYPHGWWJYUXYRK-IJLUTSLNSA-N 1 0 238.331 0.666 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H]1CCC[N@@H+](CCC)C1 ZINC000912719013 640177324 /nfs/dbraw/zinc/17/73/24/640177324.db2.gz LEVZNILXNFLTCG-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCc1cnoc1 ZINC000912775770 640200052 /nfs/dbraw/zinc/20/00/52/640200052.db2.gz GLBFCSAWUCXVBO-UHFFFAOYSA-N 1 0 237.303 0.841 20 30 BCEDRO N#Cc1cnn(C(=O)C23CC[NH+](CC2)C3)c1N ZINC000912833096 640218876 /nfs/dbraw/zinc/21/88/76/640218876.db2.gz FKWOLGKWUVPUSR-UHFFFAOYSA-N 1 0 231.259 0.073 20 30 BCEDRO CO[C@@H]1CC[C@H](C)[N@H+](C[C@H](O)CC#N)C1 ZINC000931475298 640230634 /nfs/dbraw/zinc/23/06/34/640230634.db2.gz RRHCSTPIDYQWRI-HBNTYKKESA-N 1 0 212.293 0.760 20 30 BCEDRO C[C@H](O)[C@H](O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000931507502 640238576 /nfs/dbraw/zinc/23/85/76/640238576.db2.gz AIASYJAGGBUJEQ-SMDDNHRTSA-N 1 0 248.326 0.774 20 30 BCEDRO N#Cc1c[nH]c(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c1 ZINC000912916530 640239761 /nfs/dbraw/zinc/23/97/61/640239761.db2.gz YMNXBEKZFDKEQA-LLVKDONJSA-N 1 0 244.298 0.807 20 30 BCEDRO N#Cc1c[nH]c(C(=O)N2CC[C@H]([NH+]3CCC3)C2)c1 ZINC000912916531 640240961 /nfs/dbraw/zinc/24/09/61/640240961.db2.gz YMNXBEKZFDKEQA-NSHDSACASA-N 1 0 244.298 0.807 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912905041 640248267 /nfs/dbraw/zinc/24/82/67/640248267.db2.gz XWPHMGGFIVOEKD-ZYHUDNBSSA-N 1 0 224.304 0.230 20 30 BCEDRO CC(C)(O)[C@@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000931612544 640287659 /nfs/dbraw/zinc/28/76/59/640287659.db2.gz QPSKGKHELPYBJP-GHMZBOCLSA-N 1 0 226.320 0.744 20 30 BCEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C[C@H](O)CC#N ZINC000931619581 640290292 /nfs/dbraw/zinc/29/02/92/640290292.db2.gz AGVOQQGNSRLMAN-GRYCIOLGSA-N 1 0 223.320 0.429 20 30 BCEDRO C=CCC[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931636894 640296156 /nfs/dbraw/zinc/29/61/56/640296156.db2.gz GEZXBFIQEZADAU-JTQLQIEISA-N 1 0 215.293 0.618 20 30 BCEDRO C#CCC[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931636455 640299103 /nfs/dbraw/zinc/29/91/03/640299103.db2.gz WQVMIEBQHZGRSU-JTQLQIEISA-N 1 0 213.277 0.065 20 30 BCEDRO C#CCC[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931636456 640299802 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640382631 /nfs/dbraw/zinc/38/26/31/640382631.db2.gz WCFRLKBXURTOSQ-GHMZBOCLSA-N 1 0 226.320 0.075 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@H]1C[C@@H]1C(F)F ZINC000913522635 640384069 /nfs/dbraw/zinc/38/40/69/640384069.db2.gz RLAZDBRJIHPOPV-IUCAKERBSA-N 1 0 230.258 0.569 20 30 BCEDRO CCn1ccc(NC(=O)NCC#CC[NH+](C)C)n1 ZINC000931922648 640390161 /nfs/dbraw/zinc/39/01/61/640390161.db2.gz KBAXJLZQMXFHPU-UHFFFAOYSA-N 1 0 249.318 0.590 20 30 BCEDRO C=C[C@](C)(CC)C(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913544870 640392400 /nfs/dbraw/zinc/39/24/00/640392400.db2.gz OIDONNQZMCXAHF-DGCLKSJQSA-N 1 0 240.347 0.724 20 30 BCEDRO C#CC[NH+]1CCC([C@@]2(C)COC(=O)N2)CC1 ZINC000932092409 640424271 /nfs/dbraw/zinc/42/42/71/640424271.db2.gz SHUDZJXNYKIILB-GFCCVEGCSA-N 1 0 222.288 0.830 20 30 BCEDRO C[NH+]1CCC(OCC(=O)NC(C)(C)C#N)CC1 ZINC000932351686 640492966 /nfs/dbraw/zinc/49/29/66/640492966.db2.gz CWCVRZOFNKNUJK-UHFFFAOYSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932375283 640503728 /nfs/dbraw/zinc/50/37/28/640503728.db2.gz NDXSYJNHJWPWAE-CQSZACIVSA-N 1 0 243.310 0.872 20 30 BCEDRO C#CC[N@@H+](CCC(=O)N1CCOCC1)C(C)C ZINC000932390644 640517379 /nfs/dbraw/zinc/51/73/79/640517379.db2.gz ADHZDAWNVDPIDF-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CC[N@H+](C[C@@H](O)Cn1cccn1)C(C)C ZINC000932392982 640518899 /nfs/dbraw/zinc/51/88/99/640518899.db2.gz SORBXVJGSYANOY-GFCCVEGCSA-N 1 0 221.304 0.588 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C[C@H]1C ZINC000947080537 640519249 /nfs/dbraw/zinc/51/92/49/640519249.db2.gz LOFHNISFSGZOFV-MNOVXSKESA-N 1 0 246.314 0.626 20 30 BCEDRO C=CCCN1CC(NC(=O)C(F)F)C1 ZINC001030038680 640527177 /nfs/dbraw/zinc/52/71/77/640527177.db2.gz UAZMTOWOFHSAQD-UHFFFAOYSA-N 1 0 204.220 0.628 20 30 BCEDRO C#CC[N@H+](C[C@H](O)Cn1cccn1)C(C)(C)C ZINC000932465211 640536980 /nfs/dbraw/zinc/53/69/80/640536980.db2.gz ZMMWXQPJGMFMHG-LBPRGKRZSA-N 1 0 235.331 0.978 20 30 BCEDRO C[C@H](C#N)CNC(=O)COC1CC[NH+](C)CC1 ZINC000932472380 640540874 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/nfs/dbraw/zinc/59/87/42/640598742.db2.gz ZLMGHAYGEAWWRV-LLVKDONJSA-N 1 0 225.288 0.521 20 30 BCEDRO C#CC[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932767971 640608676 /nfs/dbraw/zinc/60/86/76/640608676.db2.gz YLBAOGXJYOMHET-UHFFFAOYSA-N 1 0 208.261 0.584 20 30 BCEDRO N#CC[C@@H](O)C[NH+]1CCC(O)(C2CCC2)CC1 ZINC000932813954 640612906 /nfs/dbraw/zinc/61/29/06/640612906.db2.gz BXMXAQGZAIFGMQ-GFCCVEGCSA-N 1 0 238.331 0.888 20 30 BCEDRO CC(C)(C)[NH2+]CCC(=O)NC1(C#N)CC1 ZINC000932887872 640640430 /nfs/dbraw/zinc/64/04/30/640640430.db2.gz ZKHHSDGONQULDK-UHFFFAOYSA-N 1 0 209.293 0.937 20 30 BCEDRO N#CCCC[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932932380 640644320 /nfs/dbraw/zinc/64/43/20/640644320.db2.gz WFWXYOOADJJWPZ-UHFFFAOYSA-N 1 0 207.277 0.772 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932951493 640649796 /nfs/dbraw/zinc/64/97/96/640649796.db2.gz JBJDMMOGMJGVOW-SNVBAGLBSA-N 1 0 232.349 0.563 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932949222 640649954 /nfs/dbraw/zinc/64/99/54/640649954.db2.gz WFQQCWSYNFQORF-JTQLQIEISA-N 1 0 230.333 0.010 20 30 BCEDRO C=CCCCC[N@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932946867 640651379 /nfs/dbraw/zinc/65/13/79/640651379.db2.gz JCFQNBPMDSQHFS-NSHDSACASA-N 1 0 246.376 0.953 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932948567 640651487 /nfs/dbraw/zinc/65/14/87/640651487.db2.gz LKJLONPKHBIJOQ-UWVGGRQHSA-N 1 0 232.349 0.561 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932953382 640652231 /nfs/dbraw/zinc/65/22/31/640652231.db2.gz XILFOQJJWLQUFN-GHMZBOCLSA-N 1 0 244.360 0.399 20 30 BCEDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC#N)[C@H](C)C1 ZINC000933170906 640673847 /nfs/dbraw/zinc/67/38/47/640673847.db2.gz WXFUAQXQLLNFEZ-GMTAPVOTSA-N 1 0 240.303 0.534 20 30 BCEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])NC(C)C ZINC000157410692 640674118 /nfs/dbraw/zinc/67/41/18/640674118.db2.gz NTEKLSTWSSLSLK-UHFFFAOYSA-N 1 0 228.340 0.461 20 30 BCEDRO C#CCC1([NH2+]C[C@H]2COCCO2)CCC1 ZINC000933295430 640699262 /nfs/dbraw/zinc/69/92/62/640699262.db2.gz WPQSGJSYKMNHRI-NSHDSACASA-N 1 0 209.289 0.937 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@@H]1C(=O)NCC1(CC)CC ZINC000933289294 640699939 /nfs/dbraw/zinc/69/99/39/640699939.db2.gz NRLJZKZQMFARNK-GHMZBOCLSA-N 1 0 240.347 0.818 20 30 BCEDRO C#CCC1([NH2+]CC2(CO)COC2)CCC1 ZINC000933299223 640700393 /nfs/dbraw/zinc/70/03/93/640700393.db2.gz RCGGHWUJCWCLRC-UHFFFAOYSA-N 1 0 209.289 0.531 20 30 BCEDRO C#CCC1([NH2+]C[C@@H](O)COCCOC)CCC1 ZINC000933296928 640700630 /nfs/dbraw/zinc/70/06/30/640700630.db2.gz RSVQSLMREGOHMF-GFCCVEGCSA-N 1 0 241.331 0.546 20 30 BCEDRO C#CCC1([NH2+][C@@H]2CON(CC)C2=O)CCC1 ZINC000933296436 640701217 /nfs/dbraw/zinc/70/12/17/640701217.db2.gz GLZQBWBDADMDKR-SNVBAGLBSA-N 1 0 222.288 0.684 20 30 BCEDRO C#CCN1CC(NC(=O)[C@H]2CCC[N@H+]2C(C)C)C1 ZINC001030300901 640740558 /nfs/dbraw/zinc/74/05/58/640740558.db2.gz QGWCHAODVADIIX-CYBMUJFWSA-N 1 0 249.358 0.293 20 30 BCEDRO C=C(C)C[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933697809 640748318 /nfs/dbraw/zinc/74/83/18/640748318.db2.gz LIASIYXIKKGLPJ-ZJUUUORDSA-N 1 0 232.349 0.419 20 30 BCEDRO CC#CCC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933722084 640755242 /nfs/dbraw/zinc/75/52/42/640755242.db2.gz OBFXCWZYDFHAIT-PHIMTYICSA-N 1 0 227.329 0.376 20 30 BCEDRO C=CCN1CC(NC(=O)[C@H]2C[NH+]3CCC2CC3)C1 ZINC001030322742 640760633 /nfs/dbraw/zinc/76/06/33/640760633.db2.gz FPPZLJWYRZRANG-ZDUSSCGKSA-N 1 0 249.358 0.315 20 30 BCEDRO CC[N@H+](CCC(=O)NC)C[C@@H](C#N)CCC#N ZINC000933869453 640777413 /nfs/dbraw/zinc/77/74/13/640777413.db2.gz WFKJIYRIQIYSOC-LLVKDONJSA-N 1 0 236.319 0.888 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933900165 640785776 /nfs/dbraw/zinc/78/57/76/640785776.db2.gz VIUOKKIPQVIHGA-GHMZBOCLSA-N 1 0 240.303 0.752 20 30 BCEDRO C=C(Br)CNC(=O)[C@H](C)[NH2+]C ZINC000168302043 640800691 /nfs/dbraw/zinc/80/06/91/640800691.db2.gz XKNGYTINKGVNLI-LURJTMIESA-N 1 0 221.098 0.619 20 30 BCEDRO CC#CCC[NH+]1CCN(C)CCN(C)CC1 ZINC000933993040 640802498 /nfs/dbraw/zinc/80/24/98/640802498.db2.gz UNYMKVICBUPBBT-UHFFFAOYSA-N 1 0 223.364 0.579 20 30 BCEDRO O[C@]1(C[NH2+]CC#Cc2ccccc2)CCOC1 ZINC000227135565 640816918 /nfs/dbraw/zinc/81/69/18/640816918.db2.gz OCCVLTAHZKUBLJ-AWEZNQCLSA-N 1 0 231.295 0.779 20 30 BCEDRO C=CCN1CC(NC(=O)[C@H]2CCCC[N@H+]2C)C1 ZINC001030535339 640899620 /nfs/dbraw/zinc/89/96/20/640899620.db2.gz OFIIJZXHXITLDZ-GFCCVEGCSA-N 1 0 237.347 0.457 20 30 BCEDRO CC#CCN1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001030533152 640900223 /nfs/dbraw/zinc/90/02/23/640900223.db2.gz GSNCBYPZICLLNJ-ZDUSSCGKSA-N 1 0 249.358 0.294 20 30 BCEDRO CC(=O)NCCCNC(=[NH2+])NCCC(C)C ZINC000170904907 640936462 /nfs/dbraw/zinc/93/64/62/640936462.db2.gz VHMCRUKBROUKSL-UHFFFAOYSA-N 1 0 228.340 0.463 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCOC1 ZINC000170908733 640936829 /nfs/dbraw/zinc/93/68/29/640936829.db2.gz HOZBDIBRHOLYPO-NXEZZACHSA-N 1 0 229.324 0.352 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCOC1 ZINC000170908726 640937201 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248.330 0.719 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cncs2)C1 ZINC000969002765 642821346 /nfs/dbraw/zinc/82/13/46/642821346.db2.gz DNRCSNYCNUAAIW-SNVBAGLBSA-N 1 0 249.339 0.509 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001006975194 642824478 /nfs/dbraw/zinc/82/44/78/642824478.db2.gz GAXZEUSFPIYLQG-LBPRGKRZSA-N 1 0 248.330 0.719 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](NC(=O)c2cocn2)C1 ZINC001006937011 642824613 /nfs/dbraw/zinc/82/46/13/642824613.db2.gz DPYYSKAXEVTOEK-NSHDSACASA-N 1 0 247.298 0.892 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001006808597 642824819 /nfs/dbraw/zinc/82/48/19/642824819.db2.gz VCZZUJXIVDISQC-JTQLQIEISA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2conc2C)C[C@H]1C ZINC000939051359 642835933 /nfs/dbraw/zinc/83/59/33/642835933.db2.gz ZBRFONDZYOGZNC-BXKDBHETSA-N 1 0 247.298 0.666 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CO[C@@H](C)C2)C1 ZINC001031789217 642849399 /nfs/dbraw/zinc/84/93/99/642849399.db2.gz 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C[N@@H+](Cc1cccc(C#N)c1)C[C@@H](O)CO ZINC000113761238 642911298 /nfs/dbraw/zinc/91/12/98/642911298.db2.gz NUHXNDMHLMQOHG-GFCCVEGCSA-N 1 0 220.272 0.343 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001015598388 642912766 /nfs/dbraw/zinc/91/27/66/642912766.db2.gz MXXKWKDQKZUYFF-GFCCVEGCSA-N 1 0 249.314 0.984 20 30 BCEDRO C#CCN1CC[C@@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015701897 642924296 /nfs/dbraw/zinc/92/42/96/642924296.db2.gz KGFSMZZRZNPAEY-QWHCGFSZSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCN1CC[C@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015709361 642926160 /nfs/dbraw/zinc/92/61/60/642926160.db2.gz UWBOEUSUUMFDMH-OLZOCXBDSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CCN1CC[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001015819046 642931896 /nfs/dbraw/zinc/93/18/96/642931896.db2.gz BATOXWZYECSARI-JTQLQIEISA-N 1 0 232.287 0.155 20 30 BCEDRO C#CCN1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001015821345 642932198 /nfs/dbraw/zinc/93/21/98/642932198.db2.gz UOZWPRJASYARQN-FRRDWIJNSA-N 1 0 232.327 0.856 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnon2)C1 ZINC001015881843 642938394 /nfs/dbraw/zinc/93/83/94/642938394.db2.gz ZDSNPWXZLWKYEF-VIFPVBQESA-N 1 0 236.275 0.450 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ncccn2)C1 ZINC001015887830 642942348 /nfs/dbraw/zinc/94/23/48/642942348.db2.gz PKDWJBULYWAKNI-LLVKDONJSA-N 1 0 244.298 0.304 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001015906937 642942969 /nfs/dbraw/zinc/94/29/69/642942969.db2.gz FRHNLEWKAVGYEL-DGCLKSJQSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2nccs2)C1 ZINC001015891240 642943343 /nfs/dbraw/zinc/94/33/43/642943343.db2.gz FVLROINJJUAVIT-JTQLQIEISA-N 1 0 249.339 0.971 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2oncc2C)C1 ZINC001015936634 642943983 /nfs/dbraw/zinc/94/39/83/642943983.db2.gz PGLLDSMDUPJBOH-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001016105038 642946534 /nfs/dbraw/zinc/94/65/34/642946534.db2.gz BGXSORHOIHQZKJ-NSHDSACASA-N 1 0 248.330 0.637 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001016313113 642954702 /nfs/dbraw/zinc/95/47/02/642954702.db2.gz DYIGDVCUXLIWRU-GFCCVEGCSA-N 1 0 231.299 0.381 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cnco2)C1 ZINC001031881258 642966705 /nfs/dbraw/zinc/96/67/05/642966705.db2.gz WMEGAMZOFGHVON-UHFFFAOYSA-N 1 0 221.260 0.522 20 30 BCEDRO CC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)[C@H](C)C#N ZINC001017418682 642971913 /nfs/dbraw/zinc/97/19/13/642971913.db2.gz NYUPTQSGSRGGCB-MXWKQRLJSA-N 1 0 221.304 0.841 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CSC)C1 ZINC001018464622 642993914 /nfs/dbraw/zinc/99/39/14/642993914.db2.gz IGDVOIPTRHUROO-VIFPVBQESA-N 1 0 214.334 0.726 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCO2)C1 ZINC001018468523 642994983 /nfs/dbraw/zinc/99/49/83/642994983.db2.gz OSJMYKYVJNDHFW-WDEREUQCSA-N 1 0 224.304 0.542 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)n2cccn2)C1 ZINC001018538770 642996726 /nfs/dbraw/zinc/99/67/26/642996726.db2.gz CDVYRTQXGHANNT-NEPJUHHUSA-N 1 0 248.330 0.821 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC001018495093 642998159 /nfs/dbraw/zinc/99/81/59/642998159.db2.gz UFHYMOPFGLRKMY-JTQLQIEISA-N 1 0 235.287 0.973 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)C1 ZINC001018559188 642999778 /nfs/dbraw/zinc/99/97/78/642999778.db2.gz FOIWVPMMOMNGEE-JTQLQIEISA-N 1 0 220.276 0.400 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cncs2)C1 ZINC001018578169 643000257 /nfs/dbraw/zinc/00/02/57/643000257.db2.gz HILVFQLSEGCETQ-VIFPVBQESA-N 1 0 235.312 0.580 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCOC2)C1 ZINC001018597190 643000586 /nfs/dbraw/zinc/00/05/86/643000586.db2.gz CQZJNHSOXBCHFJ-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001018577855 643001156 /nfs/dbraw/zinc/00/11/56/643001156.db2.gz CLXDTJNETXUSLM-ZJUUUORDSA-N 1 0 246.738 0.964 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)/C(C)=C\C)C1 ZINC001018695862 643006831 /nfs/dbraw/zinc/00/68/31/643006831.db2.gz MDQBMSWMKFVUHL-VQNWOSHQSA-N 1 0 206.289 0.776 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(C)c2)C1 ZINC001018712544 643008194 /nfs/dbraw/zinc/00/81/94/643008194.db2.gz DSHMRHMDPFHIES-LBPRGKRZSA-N 1 0 231.299 0.462 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC001018718931 643008979 /nfs/dbraw/zinc/00/89/79/643008979.db2.gz MKCZRMFPYWJMLZ-RYUDHWBXSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC001018769918 643010019 /nfs/dbraw/zinc/01/00/19/643010019.db2.gz ZTDOOEBSSNNEFD-NSHDSACASA-N 1 0 249.318 0.045 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c(C)ccn2C)C1 ZINC001018772981 643011405 /nfs/dbraw/zinc/01/14/05/643011405.db2.gz WVTZLSARODLCEI-LBPRGKRZSA-N 1 0 245.326 0.771 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(C)nn2)C1 ZINC001018828473 643014358 /nfs/dbraw/zinc/01/43/58/643014358.db2.gz BSABUOZUKGAVQS-NSHDSACASA-N 1 0 244.298 0.222 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2c(C)ncn2C)C1 ZINC001019002139 643017322 /nfs/dbraw/zinc/01/73/22/643017322.db2.gz JWXRVVXEYFIRSR-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnco2)C1 ZINC001019209796 643023826 /nfs/dbraw/zinc/02/38/26/643023826.db2.gz WNIVJCAULUHDPQ-VIFPVBQESA-N 1 0 219.244 0.112 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@]2(F)CCOC2)C1 ZINC001019284272 643029000 /nfs/dbraw/zinc/02/90/00/643029000.db2.gz JZQQZXZOTBYHEL-JQWIXIFHSA-N 1 0 242.294 0.492 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001019426560 643032032 /nfs/dbraw/zinc/03/20/32/643032032.db2.gz FMODPRYTGHNALV-NSHDSACASA-N 1 0 232.287 0.467 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N1CC[C@H]([NH2+]CC)C1 ZINC001019407461 643032513 /nfs/dbraw/zinc/03/25/13/643032513.db2.gz BVIXBKPJOHYYDQ-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cscn2)C1 ZINC001019474414 643034637 /nfs/dbraw/zinc/03/46/37/643034637.db2.gz XWXHVCNYMVBHCR-JTQLQIEISA-N 1 0 249.339 0.509 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ccco2)C1 ZINC001019543297 643036818 /nfs/dbraw/zinc/03/68/18/643036818.db2.gz BIQVWFYNRDFFJU-NSHDSACASA-N 1 0 232.283 0.646 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ncccn2)C1 ZINC001019546450 643036847 /nfs/dbraw/zinc/03/68/47/643036847.db2.gz MMVNOPREOUAQGI-JTQLQIEISA-N 1 0 232.287 0.467 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2oncc2C)C1 ZINC001019594177 643039708 /nfs/dbraw/zinc/03/97/08/643039708.db2.gz HNUKAVVBROTBGX-JTQLQIEISA-N 1 0 233.271 0.420 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nc(C)oc2C)C1 ZINC001019555092 643040073 /nfs/dbraw/zinc/04/00/73/643040073.db2.gz ZAQBDVSQMZNLIJ-NSHDSACASA-N 1 0 247.298 0.729 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281561455 643042039 /nfs/dbraw/zinc/04/20/39/643042039.db2.gz YHOCJKUOOYMKJZ-ZJUUUORDSA-N 1 0 210.277 0.993 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281521680 643044361 /nfs/dbraw/zinc/04/43/61/643044361.db2.gz VOGZSPQPQGOGQH-ZJUUUORDSA-N 1 0 208.261 0.440 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C)no2)C1 ZINC001019981477 643050580 /nfs/dbraw/zinc/05/05/80/643050580.db2.gz AGIISTAEYABBPN-MGCOHNPYSA-N 1 0 233.271 0.467 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001020038089 643052268 /nfs/dbraw/zinc/05/22/68/643052268.db2.gz IHRVDCIBPKYGCS-IJLUTSLNSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCOC2)C1 ZINC001020017978 643052735 /nfs/dbraw/zinc/05/27/35/643052735.db2.gz MMMQRYIRULPGRO-IJLUTSLNSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ocnc2C)C1 ZINC001020054585 643053869 /nfs/dbraw/zinc/05/38/69/643053869.db2.gz QPBRAFXNXPIXSN-MGCOHNPYSA-N 1 0 233.271 0.467 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC001020081520 643055837 /nfs/dbraw/zinc/05/58/37/643055837.db2.gz IFQNKBOBCADZCR-XYPYZODXSA-N 1 0 246.314 0.821 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001020070042 643055891 /nfs/dbraw/zinc/05/58/91/643055891.db2.gz FRZFBOMRCYGRAW-MGCOHNPYSA-N 1 0 234.303 0.457 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2(C)CC2)C1 ZINC001020180969 643059987 /nfs/dbraw/zinc/05/99/87/643059987.db2.gz SBJPLNBQPVDXSB-MGCOHNPYSA-N 1 0 206.289 0.657 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001020133527 643061206 /nfs/dbraw/zinc/06/12/06/643061206.db2.gz YOLXMCKJGODKFX-CIUDSAMLSA-N 1 0 228.242 0.512 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2nccn2)C1 ZINC001020198708 643063803 /nfs/dbraw/zinc/06/38/03/643063803.db2.gz ZUFHRAHWTOYBMT-XYPYZODXSA-N 1 0 249.318 0.091 20 30 BCEDRO COc1cc(C=NNC(N)=[NH2+])cc(OC)c1 ZINC000252448238 643077798 /nfs/dbraw/zinc/07/77/98/643077798.db2.gz UGOMSODZTKBCBT-UHFFFAOYSA-N 1 0 222.248 0.521 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@@H](C)C1 ZINC000941703622 643115487 /nfs/dbraw/zinc/11/54/87/643115487.db2.gz BLWZEPKZNSRWCB-IUCAKERBSA-N 1 0 230.258 0.711 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)C2CC2)[C@H](C)C1 ZINC000941710392 643124593 /nfs/dbraw/zinc/12/45/93/643124593.db2.gz RNPVMRGIOAWPMK-PWSUYJOCSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCOC2)C1 ZINC000969365284 643154709 /nfs/dbraw/zinc/15/47/09/643154709.db2.gz HYNPXXZUCADSDU-WDEREUQCSA-N 1 0 238.331 0.645 20 30 BCEDRO CC[NH+]=C(NC[C@]1(O)CCSC1)NC1CC1 ZINC000080895362 643167912 /nfs/dbraw/zinc/16/79/12/643167912.db2.gz OXPLKKAFTPWOCN-LLVKDONJSA-N 1 0 243.376 0.572 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CC[C@@H](F)C2)C1 ZINC001020516325 643169524 /nfs/dbraw/zinc/16/95/24/643169524.db2.gz JAYIOLVJNCLGQT-DDHJBXDOSA-N 1 0 238.306 0.995 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCn2ccnc2)C1 ZINC000969519876 643185291 /nfs/dbraw/zinc/18/52/91/643185291.db2.gz YHOBZBVMRUKXDU-GFCCVEGCSA-N 1 0 248.330 0.650 20 30 BCEDRO CC[NH+]1CC([C@@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000969525471 643186656 /nfs/dbraw/zinc/18/66/56/643186656.db2.gz BYLZLCQCSUIQMB-SECBINFHSA-N 1 0 246.314 0.956 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cn(C)nn2)C1 ZINC000969585935 643196194 /nfs/dbraw/zinc/19/61/94/643196194.db2.gz WSVAZHLQHKRWRF-VIFPVBQESA-N 1 0 249.318 0.051 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](F)C(C)C)C1 ZINC000969634594 643201868 /nfs/dbraw/zinc/20/18/68/643201868.db2.gz MULSQQQYHNSTFS-GHMZBOCLSA-N 1 0 226.295 0.804 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2n[nH]cc2C)C1 ZINC000969644752 643206172 /nfs/dbraw/zinc/20/61/72/643206172.db2.gz KJHPSRRXDRDVNK-JTQLQIEISA-N 1 0 248.330 0.954 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001032040377 643209549 /nfs/dbraw/zinc/20/95/49/643209549.db2.gz ZTFKGGOAQSKBPC-UHFFFAOYSA-N 1 0 248.330 0.956 20 30 BCEDRO C#Cc1cncc(C(=O)N[C@H]2C[C@H]([NH2+]CC)C2)c1 ZINC001020569222 643210185 /nfs/dbraw/zinc/21/01/85/643210185.db2.gz SCVVQFGJLFAOLU-JOCQHMNTSA-N 1 0 243.310 0.933 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)COC)CC1(C)C ZINC000995275964 643212769 /nfs/dbraw/zinc/21/27/69/643212769.db2.gz FBTNZEFWEYZUJS-SNVBAGLBSA-N 1 0 226.320 0.645 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC000969722835 643215977 /nfs/dbraw/zinc/21/59/77/643215977.db2.gz QMIGCOZBRSZBBC-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C[NH+]=C(NCC1(CO)CCCC1)NC1CC1 ZINC000184606290 643221482 /nfs/dbraw/zinc/22/14/82/643221482.db2.gz DYOSEZPQCILZMO-UHFFFAOYSA-N 1 0 225.336 0.867 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2ccncn2)C1 ZINC001032060969 643221546 /nfs/dbraw/zinc/22/15/46/643221546.db2.gz BFHYRDLPOPNAMN-UHFFFAOYSA-N 1 0 246.314 0.714 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2cccnn2)C1 ZINC001032067851 643229215 /nfs/dbraw/zinc/22/92/15/643229215.db2.gz BCDREQKAOFOVIJ-UHFFFAOYSA-N 1 0 246.314 0.714 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC(C)(F)F)C1 ZINC000969845509 643230559 /nfs/dbraw/zinc/23/05/59/643230559.db2.gz FCWSHUPFNVWODQ-SECBINFHSA-N 1 0 230.258 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000969895640 643243130 /nfs/dbraw/zinc/24/31/30/643243130.db2.gz CRQHEHMIAUDSCB-SNVBAGLBSA-N 1 0 224.279 0.560 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2C[C@H]2CC)C1 ZINC000970022999 643268292 /nfs/dbraw/zinc/26/82/92/643268292.db2.gz YWRIXVGSWWKYTJ-IJLUTSLNSA-N 1 0 220.316 0.856 20 30 BCEDRO CC(C)[NH+]=C(NCC(=O)N(C)C)NC1CC1 ZINC000072609604 643272693 /nfs/dbraw/zinc/27/26/93/643272693.db2.gz NDZXBNAVZWPDIA-UHFFFAOYSA-N 1 0 226.324 0.181 20 30 BCEDRO C#Cc1ccc(C(=O)NCC2C[NH+](CC)C2)nc1 ZINC001032137599 643274248 /nfs/dbraw/zinc/27/42/48/643274248.db2.gz UOKBAGLAZAZGTB-UHFFFAOYSA-N 1 0 243.310 0.744 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccncn2)C1 ZINC001020779715 643293503 /nfs/dbraw/zinc/29/35/03/643293503.db2.gz LHMWCUGXFQTKPR-MGCOHNPYSA-N 1 0 232.287 0.513 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2ccco2)C1 ZINC001020793132 643295288 /nfs/dbraw/zinc/29/52/88/643295288.db2.gz ZAHOGLCTGFPVMP-XYPYZODXSA-N 1 0 232.283 0.692 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(OC)o2)C1 ZINC001020807063 643300307 /nfs/dbraw/zinc/30/03/07/643300307.db2.gz KBNIKZXMDMDCMY-MGCOHNPYSA-N 1 0 248.282 0.772 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001020824170 643307968 /nfs/dbraw/zinc/30/79/68/643307968.db2.gz LBXJMRLAXRTWAF-NQBHXWOUSA-N 1 0 238.331 0.836 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccon2)CC1(C)C ZINC000995522008 643325240 /nfs/dbraw/zinc/32/52/40/643325240.db2.gz OIYSSKBBNRHUEM-NSHDSACASA-N 1 0 247.298 0.748 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)c1cccc(C#N)c1 ZINC000082577972 643347613 /nfs/dbraw/zinc/34/76/13/643347613.db2.gz OOVLLSGIAZEEGV-QMMMGPOBSA-N 1 0 203.245 0.635 20 30 BCEDRO C=C(C)CC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC ZINC001032236250 643380215 /nfs/dbraw/zinc/38/02/15/643380215.db2.gz ODUKDFGRVIGILI-RYUDHWBXSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC000970214235 643399562 /nfs/dbraw/zinc/39/95/62/643399562.db2.gz BUTJFTUCQQKPKF-GFCCVEGCSA-N 1 0 248.330 0.719 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)Cn2ccnc2)C1 ZINC001021126852 643405100 /nfs/dbraw/zinc/40/51/00/643405100.db2.gz ZFUXNJBTMKMMGQ-HAQNSBGRSA-N 1 0 248.330 0.696 20 30 BCEDRO C[NH+]=C(NCC1CC1)N[C@@H]1CCN(C2CC2)C1 ZINC000083093868 643410542 /nfs/dbraw/zinc/41/05/42/643410542.db2.gz MLKXKYDPUWDTBP-LLVKDONJSA-N 1 0 236.363 0.798 20 30 BCEDRO CCNC(NCC1(C(=O)OC)CC1)=[NH+]CC ZINC000185949122 643414378 /nfs/dbraw/zinc/41/43/78/643414378.db2.gz WTJKTDBEDXAABD-UHFFFAOYSA-N 1 0 227.308 0.515 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000185983838 643419938 /nfs/dbraw/zinc/41/99/38/643419938.db2.gz CEBZKFPPCADEOY-AXFHLTTASA-N 1 0 235.331 0.933 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000186007343 643423577 /nfs/dbraw/zinc/42/35/77/643423577.db2.gz NDUDRGNFQRBHGF-GHMZBOCLSA-N 1 0 223.320 0.649 20 30 BCEDRO C[NH+]=C(NC1CC1)N[C@@H]1C[C@@H](O)C1(C)C ZINC000186015658 643425257 /nfs/dbraw/zinc/42/52/57/643425257.db2.gz UNJBKXSCGXQUCV-RKDXNWHRSA-N 1 0 211.309 0.473 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn(CC)cn2)C1 ZINC000970497550 643445652 /nfs/dbraw/zinc/44/56/52/643445652.db2.gz MCMKUYQZEFCWEA-LLVKDONJSA-N 1 0 246.314 0.340 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2ncn(C)n2)CC1 ZINC000996298443 643466714 /nfs/dbraw/zinc/46/67/14/643466714.db2.gz TWOBVHIFKPZJIN-UHFFFAOYSA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2[nH]cnc2CC)C1 ZINC000970592754 643473910 /nfs/dbraw/zinc/47/39/10/643473910.db2.gz RHGYZRHAHQRHEM-SNVBAGLBSA-N 1 0 248.330 0.962 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)Cn2nccn2)CC1 ZINC000996624735 643485894 /nfs/dbraw/zinc/48/58/94/643485894.db2.gz LUMXLAYOPPBTQN-UHFFFAOYSA-N 1 0 249.318 0.045 20 30 BCEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)c2cnon2)C1 ZINC000970622908 643486414 /nfs/dbraw/zinc/48/64/14/643486414.db2.gz MQZZJKFKLBPBJN-SECBINFHSA-N 1 0 248.286 0.143 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2conc2C)CC1 ZINC000996939485 643560764 /nfs/dbraw/zinc/56/07/64/643560764.db2.gz WVOXRCHPPZMCAQ-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO NC(=[NH2+])NCCc1nc2ccccc2[nH]1 ZINC000303252227 643578194 /nfs/dbraw/zinc/57/81/94/643578194.db2.gz BJZNVQCZVFACLS-UHFFFAOYSA-N 1 0 203.249 0.379 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)COC)C1 ZINC000970918185 643616431 /nfs/dbraw/zinc/61/64/31/643616431.db2.gz YRMLNLWIWSZJKX-JTQLQIEISA-N 1 0 212.293 0.352 20 30 BCEDRO N#CCCNC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000085790607 643624155 /nfs/dbraw/zinc/62/41/55/643624155.db2.gz PKPXSWCBRXJXRU-QWRGUYRKSA-N 1 0 209.293 0.353 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)CC2CC2)C1 ZINC000970937451 643626734 /nfs/dbraw/zinc/62/67/34/643626734.db2.gz GOVHHZFHEHNDLB-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccccn2)C1 ZINC000970957493 643636136 /nfs/dbraw/zinc/63/61/36/643636136.db2.gz ZZSYMECHDKOEDB-LBPRGKRZSA-N 1 0 243.310 0.861 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)CSC)C1 ZINC000971033558 643679760 /nfs/dbraw/zinc/67/97/60/643679760.db2.gz CPAKLGAAERMPRT-JTQLQIEISA-N 1 0 226.345 0.515 20 30 BCEDRO CNC(=[NH2+])NCC1(SC)CCOCC1 ZINC000304272083 643697369 /nfs/dbraw/zinc/69/73/69/643697369.db2.gz FESLEVNOLXCXHN-UHFFFAOYSA-N 1 0 217.338 0.433 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1CCCN(C(=O)COC)C1 ZINC000998325002 643698241 /nfs/dbraw/zinc/69/82/41/643698241.db2.gz VSACRWRAQQBMSJ-JTQLQIEISA-N 1 0 246.738 0.966 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)C(C)(C)F)C1 ZINC000998357288 643702120 /nfs/dbraw/zinc/70/21/20/643702120.db2.gz ZYCCAZCQIVWKTA-SNVBAGLBSA-N 1 0 226.295 0.948 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cc[nH]n2)C1 ZINC000998478628 643708637 /nfs/dbraw/zinc/70/86/37/643708637.db2.gz FGNOAPDPDRTCAY-UHFFFAOYSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)CSC)C1 ZINC000998477613 643709443 /nfs/dbraw/zinc/70/94/43/643709443.db2.gz IYIVYBYEOSMJON-SNVBAGLBSA-N 1 0 226.345 0.563 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000998513569 643710057 /nfs/dbraw/zinc/71/00/57/643710057.db2.gz STVRIUURQWBFSM-LLVKDONJSA-N 1 0 231.299 0.842 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cscn2)C1 ZINC000998528185 643710280 /nfs/dbraw/zinc/71/02/80/643710280.db2.gz ZWPVQOKHXVLZQI-UHFFFAOYSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cc2cc[nH]n2)C1 ZINC000998565800 643712494 /nfs/dbraw/zinc/71/24/94/643712494.db2.gz CLOYPLGVWRGXGW-UHFFFAOYSA-N 1 0 246.314 0.164 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)SC)C1 ZINC000998594314 643714958 /nfs/dbraw/zinc/71/49/58/643714958.db2.gz USRFAPPHAYZDJB-GHMZBOCLSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cncnc2)C1 ZINC000998663388 643716365 /nfs/dbraw/zinc/71/63/65/643716365.db2.gz LSYVFGIEZQJRIJ-UHFFFAOYSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](CC)OC)C1 ZINC000998709432 643717666 /nfs/dbraw/zinc/71/76/66/643717666.db2.gz LKTPMOXFKWKGCC-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000998690693 643718585 /nfs/dbraw/zinc/71/85/85/643718585.db2.gz VJPOJPUXVKPEME-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC000998732671 643719745 /nfs/dbraw/zinc/71/97/45/643719745.db2.gz CEKFKUQSPHXNKL-RTBKNWGFSA-N 1 0 242.269 0.854 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000998757762 643721382 /nfs/dbraw/zinc/72/13/82/643721382.db2.gz ZAUMXMIRAFEKRN-VHSXEESVSA-N 1 0 227.283 0.696 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cncn2C)C1 ZINC000999068137 643730689 /nfs/dbraw/zinc/73/06/89/643730689.db2.gz TWERHPJZVWQDQV-UHFFFAOYSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccns2)C1 ZINC000999290313 643733635 /nfs/dbraw/zinc/73/36/35/643733635.db2.gz VYZYKVKVPMAHGA-SNVBAGLBSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC23CC3)C1 ZINC000999455385 643736293 /nfs/dbraw/zinc/73/62/93/643736293.db2.gz DVMMJOUZUDANMP-HTAVTVPLSA-N 1 0 232.327 0.999 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CC23CC3)C1 ZINC000999455389 643736888 /nfs/dbraw/zinc/73/68/88/643736888.db2.gz DVMMJOUZUDANMP-MCIGGMRASA-N 1 0 232.327 0.999 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccsn2)C1 ZINC000999454203 643736981 /nfs/dbraw/zinc/73/69/81/643736981.db2.gz MMWDNGZBJWHZCQ-SNVBAGLBSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CCN(C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000890061436 643737566 /nfs/dbraw/zinc/73/75/66/643737566.db2.gz HSXYYPHNLJKGHK-SNVBAGLBSA-N 1 0 209.293 0.355 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)Cn2cncn2)C1 ZINC000999792915 643740812 /nfs/dbraw/zinc/74/08/12/643740812.db2.gz OMANLTOUFQZWEJ-UHFFFAOYSA-N 1 0 249.318 0.043 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cc2ccc[nH]2)C1 ZINC000999857184 643742350 /nfs/dbraw/zinc/74/23/50/643742350.db2.gz KQGNWLYRZSGFCE-UHFFFAOYSA-N 1 0 245.326 0.769 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)Cn2ccnc2)C1 ZINC000999912784 643743908 /nfs/dbraw/zinc/74/39/08/643743908.db2.gz WUDVGUAOXAUDIJ-UHFFFAOYSA-N 1 0 248.330 0.648 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](n2cc(CNC(C)=O)nn2)C1 ZINC000999937326 643745109 /nfs/dbraw/zinc/74/51/09/643745109.db2.gz HTHZBVOVXUBRPW-GFCCVEGCSA-N 1 0 249.318 0.347 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC000999981814 643745670 /nfs/dbraw/zinc/74/56/70/643745670.db2.gz YIXUCOHTLSOXQU-GFCCVEGCSA-N 1 0 247.298 0.431 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2conc2C)C1 ZINC001000064180 643749498 /nfs/dbraw/zinc/74/94/98/643749498.db2.gz DYXNEVSGFSALGG-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccncn2)C1 ZINC001000481673 643784401 /nfs/dbraw/zinc/78/44/01/643784401.db2.gz YOFZALJXBXEADT-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2cnn(C)n2)C1 ZINC001000464797 643784754 /nfs/dbraw/zinc/78/47/54/643784754.db2.gz OAPNWGLARUXUNC-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2nccs2)C1 ZINC001000522630 643787297 /nfs/dbraw/zinc/78/72/97/643787297.db2.gz QJVMFRRNQGMDQC-SNVBAGLBSA-N 1 0 249.339 0.971 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2cnon2)C1 ZINC001000513403 643787361 /nfs/dbraw/zinc/78/73/61/643787361.db2.gz QTLLNAATYVYJOC-VIFPVBQESA-N 1 0 236.275 0.450 20 30 BCEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C(CO)CO ZINC000921788875 643787394 /nfs/dbraw/zinc/78/73/94/643787394.db2.gz UIKJXLZXWVOWOB-UHFFFAOYSA-N 1 0 234.299 0.618 20 30 BCEDRO C#CC[N@H+]1CC=C(CNC(=O)c2cocn2)CC1 ZINC001000516818 643787433 /nfs/dbraw/zinc/78/74/33/643787433.db2.gz ACMCKNVMHPKUNI-UHFFFAOYSA-N 1 0 245.282 0.670 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)Cc2nnc[nH]2)C1 ZINC001000643819 643794363 /nfs/dbraw/zinc/79/43/63/643794363.db2.gz KSYIVHUVAKZJMV-SNVBAGLBSA-N 1 0 249.318 0.114 20 30 BCEDRO C=CC[N@H+]1CC=C(CNC(=O)c2ncc[nH]2)CC1 ZINC001000661914 643796507 /nfs/dbraw/zinc/79/65/07/643796507.db2.gz HKJANSHACPTFPH-UHFFFAOYSA-N 1 0 246.314 0.958 20 30 BCEDRO C#CC[N@H+]1CC=C(CNC(=O)c2cnco2)CC1 ZINC001001006321 643801263 /nfs/dbraw/zinc/80/12/63/643801263.db2.gz YJMHOBCDOJMTHX-UHFFFAOYSA-N 1 0 245.282 0.670 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2[nH]cnc2C)C1 ZINC001001088603 643802288 /nfs/dbraw/zinc/80/22/88/643802288.db2.gz WCYFHSNBCCLIJB-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccccc1[N+](=O)[O-] ZINC000252448676 643808610 /nfs/dbraw/zinc/80/86/10/643808610.db2.gz ZKOHXVBRQIYRIJ-UHFFFAOYSA-N 1 0 207.193 0.412 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NCCCC#N)CC1 ZINC000921906365 643823285 /nfs/dbraw/zinc/82/32/85/643823285.db2.gz NCUBQDYFPZGLGE-UHFFFAOYSA-N 1 0 248.330 0.687 20 30 BCEDRO C#CCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000921934064 643829456 /nfs/dbraw/zinc/82/94/56/643829456.db2.gz RNYFOMGINIQKSO-QWRGUYRKSA-N 1 0 239.319 0.028 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000320782741 643839828 /nfs/dbraw/zinc/83/98/28/643839828.db2.gz RPCZTEYKEIBUCG-IJLUTSLNSA-N 1 0 240.347 0.960 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921996161 643839988 /nfs/dbraw/zinc/83/99/88/643839988.db2.gz YIDSYGHGCBEYNT-JTQLQIEISA-N 1 0 208.261 0.814 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NOCC)CC1 ZINC000922039540 643851634 /nfs/dbraw/zinc/85/16/34/643851634.db2.gz SDFLHAFQWXXTPS-UHFFFAOYSA-N 1 0 225.292 0.335 20 30 BCEDRO C[C@@](O)(CO)C[NH2+]Cc1csc(C#N)c1 ZINC000922080896 643859122 /nfs/dbraw/zinc/85/91/22/643859122.db2.gz HLRXSHUBVHFCJZ-JTQLQIEISA-N 1 0 226.301 0.453 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000922139614 643870392 /nfs/dbraw/zinc/87/03/92/643870392.db2.gz DZSRFKPTJFOPHY-QEHJDLSMSA-N 1 0 235.327 0.774 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)C#CC(C)C ZINC000922160727 643881048 /nfs/dbraw/zinc/88/10/48/643881048.db2.gz ZGAQEXLLIFXUSS-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCC[NH+]1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC001003234346 643882409 /nfs/dbraw/zinc/88/24/09/643882409.db2.gz AGTZLPNZUAZCSD-UHFFFAOYSA-N 1 0 249.318 0.575 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCCSC ZINC000086157394 643934212 /nfs/dbraw/zinc/93/42/12/643934212.db2.gz IGLUNONBGQQPFA-UHFFFAOYSA-N 1 0 200.307 0.079 20 30 BCEDRO CC#CC[NH+]1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001003815479 643949779 /nfs/dbraw/zinc/94/97/79/643949779.db2.gz FIBXTXWKNCNJTH-UHFFFAOYSA-N 1 0 247.302 0.022 20 30 BCEDRO N#Cc1cc(C[NH2+][C@H]2COC[C@H]2O)cs1 ZINC000922298685 643960147 /nfs/dbraw/zinc/96/01/47/643960147.db2.gz JUWPNZKZTMVPQQ-VHSXEESVSA-N 1 0 224.285 0.469 20 30 BCEDRO NC(=[NH2+])NN=Cc1cccc(O)c1Cl ZINC000328433163 644012240 /nfs/dbraw/zinc/01/22/40/644012240.db2.gz GIKGZYXCQMOPOY-UHFFFAOYSA-N 1 0 212.640 0.863 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000320983106 644037546 /nfs/dbraw/zinc/03/75/46/644037546.db2.gz IAUPYHDNNXDGNR-DDHJBXDOSA-N 1 0 229.320 0.705 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000922744132 644086459 /nfs/dbraw/zinc/08/64/59/644086459.db2.gz UKFQSPDEVFOZAO-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO CC1(C)[C@H](O)C[C@@H]1NC(=[NH2+])N1CCSCC1 ZINC000186873693 644152307 /nfs/dbraw/zinc/15/23/07/644152307.db2.gz UJIXBIVBPAGCLW-DTWKUNHWSA-N 1 0 243.376 0.509 20 30 BCEDRO COCCNC(=[NH2+])NCC1(OC)CCCCC1 ZINC000186885674 644152775 /nfs/dbraw/zinc/15/27/75/644152775.db2.gz MRAONOLAFYMVKU-UHFFFAOYSA-N 1 0 243.351 0.886 20 30 BCEDRO CCN(C)C(=O)CNC(=[NH2+])N1CCC(C)CC1 ZINC000186889325 644154004 /nfs/dbraw/zinc/15/40/04/644154004.db2.gz MWFYPASYMLRVHT-UHFFFAOYSA-N 1 0 240.351 0.511 20 30 BCEDRO C#CC[NH+]1CCC(N(C)C(=O)C(F)F)CC1 ZINC001005011563 644161599 /nfs/dbraw/zinc/16/15/99/644161599.db2.gz RILMYHKRYIRBTB-UHFFFAOYSA-N 1 0 230.258 0.808 20 30 BCEDRO C#CC[NH+]1CCC(N(C)C(=O)c2cn[nH]c2)CC1 ZINC001005140369 644172939 /nfs/dbraw/zinc/17/29/39/644172939.db2.gz AVLKHAWLOVEHCA-UHFFFAOYSA-N 1 0 246.314 0.579 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCC1([NH+](C)C)CC1 ZINC000922998636 644223678 /nfs/dbraw/zinc/22/36/78/644223678.db2.gz KZDNZKHUIMEYPF-JTQLQIEISA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCN(CC)C(=O)NCC1([NH+](C)C)CC1 ZINC000923011180 644232011 /nfs/dbraw/zinc/23/20/11/644232011.db2.gz MDZTZVPBQCCOHM-UHFFFAOYSA-N 1 0 223.320 0.745 20 30 BCEDRO NC(=[NH2+])NCC1CCN(CC(F)(F)F)CC1 ZINC000187116443 644289004 /nfs/dbraw/zinc/28/90/04/644289004.db2.gz CBLWZSQSCFZMPG-UHFFFAOYSA-N 1 0 238.257 0.534 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000923221598 644289911 /nfs/dbraw/zinc/28/99/11/644289911.db2.gz HGNIJWWIUCREFC-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000923216076 644292086 /nfs/dbraw/zinc/29/20/86/644292086.db2.gz UREWRVFVSOZNMT-GHMZBOCLSA-N 1 0 241.335 0.274 20 30 BCEDRO C=CCC[C@@H](O)CN1CC[NH2+]CC1(C)C ZINC000923291690 644317602 /nfs/dbraw/zinc/31/76/02/644317602.db2.gz FGWRMIGJPRQEFC-LLVKDONJSA-N 1 0 212.337 0.997 20 30 BCEDRO CCOC(=O)CCCNC(=[NH2+])NCC(C)C ZINC000082431760 644377149 /nfs/dbraw/zinc/37/71/49/644377149.db2.gz SXRHUARJJVVYLO-UHFFFAOYSA-N 1 0 229.324 0.890 20 30 BCEDRO C=CCC[C@@H](O)CN(C)CC(C)(C)[NH3+] ZINC000923386055 644400170 /nfs/dbraw/zinc/40/01/70/644400170.db2.gz KPGVKTDOXWDXPC-SNVBAGLBSA-N 1 0 200.326 0.983 20 30 BCEDRO N#Cc1ccc([C@H](O)CN2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000923411756 644415178 /nfs/dbraw/zinc/41/51/78/644415178.db2.gz RKCCTURNGPCBFI-MELADBBJSA-N 1 0 243.310 0.638 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@@H]([NH3+])C(C)(C)C1 ZINC000923430432 644422861 /nfs/dbraw/zinc/42/28/61/644422861.db2.gz LEQQHSGHHUFDLA-WDEREUQCSA-N 1 0 212.337 0.983 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432430 644426954 /nfs/dbraw/zinc/42/69/54/644426954.db2.gz MINDIHQWVUNNFX-RYUDHWBXSA-N 1 0 235.331 0.600 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NC/C=C/C)CC1 ZINC000923453624 644441670 /nfs/dbraw/zinc/44/16/70/644441670.db2.gz BRFCTRWYVDQJNV-HWKANZROSA-N 1 0 235.331 0.959 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923461368 644445439 /nfs/dbraw/zinc/44/54/39/644445439.db2.gz ZNMWCOVPVLLLQZ-GRYCIOLGSA-N 1 0 237.347 0.361 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)[C@H](C#N)CC)C1 ZINC000923553175 644495250 /nfs/dbraw/zinc/49/52/50/644495250.db2.gz IIGKLDPEHYOCHD-RYUDHWBXSA-N 1 0 233.315 0.750 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000923551656 644496146 /nfs/dbraw/zinc/49/61/46/644496146.db2.gz CCBMGBFTUQTEKY-NDBYEHHHSA-N 1 0 248.326 0.093 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)CC2(C#N)CC2)C1 ZINC000923559137 644501006 /nfs/dbraw/zinc/50/10/06/644501006.db2.gz GQPLSHBRDHPKOH-LBPRGKRZSA-N 1 0 245.326 0.894 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)/C=C/COC)C1 ZINC000923561010 644502057 /nfs/dbraw/zinc/50/20/57/644502057.db2.gz PEFZENVCIPJMDU-PZBABLGHSA-N 1 0 236.315 0.403 20 30 BCEDRO C#CC[NH+]1CCC(N(C)C(=O)c2cnon2)CC1 ZINC001006167872 644512297 /nfs/dbraw/zinc/51/22/97/644512297.db2.gz ABBNLDNBNYLAPG-UHFFFAOYSA-N 1 0 248.286 0.239 20 30 BCEDRO C=CCONC(=O)NCCC[NH+]1CCCC1 ZINC000838701733 644544125 /nfs/dbraw/zinc/54/41/25/644544125.db2.gz FTMYADLCMFFLAT-UHFFFAOYSA-N 1 0 227.308 0.889 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000753920508 644606564 /nfs/dbraw/zinc/60/65/64/644606564.db2.gz VOWPZSAQURLIJR-WDEREUQCSA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@H](CC)CSC ZINC000091099038 644613306 /nfs/dbraw/zinc/61/33/06/644613306.db2.gz JFVBGCBCPRMSGU-SNVBAGLBSA-N 1 0 228.361 0.809 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@@H](CC)CSC ZINC000091099037 644613724 /nfs/dbraw/zinc/61/37/24/644613724.db2.gz JFVBGCBCPRMSGU-JTQLQIEISA-N 1 0 228.361 0.809 20 30 BCEDRO Cn1cncc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000755813739 644620440 /nfs/dbraw/zinc/62/04/40/644620440.db2.gz HNXLDBPUJJLNOP-PHIMTYICSA-N 1 0 246.318 0.614 20 30 BCEDRO Cc1[nH]cnc1C=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1 ZINC000755813691 644620754 /nfs/dbraw/zinc/62/07/54/644620754.db2.gz GFGLPKYDGRKDQZ-AOOOYVTPSA-N 1 0 246.318 0.912 20 30 BCEDRO C#CCNC(=S)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000758239218 644637056 /nfs/dbraw/zinc/63/70/56/644637056.db2.gz KSILDHMUTMUPOA-WDEREUQCSA-N 1 0 239.388 0.957 20 30 BCEDRO C[C@H]1CNC(NN=C2C[C@H](C)N(C)C2)=[NH+]1 ZINC000779797798 644715130 /nfs/dbraw/zinc/71/51/30/644715130.db2.gz JZTPMZOVCZSJFB-YUMQZZPRSA-N 1 0 209.297 0.004 20 30 BCEDRO C=CC[N@H+]1C[C@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000957863942 644757697 /nfs/dbraw/zinc/75/76/97/644757697.db2.gz NXFSIGJRKVEHGO-JQWIXIFHSA-N 1 0 249.314 0.223 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC1 ZINC000958028566 644770643 /nfs/dbraw/zinc/77/06/43/644770643.db2.gz SQKOWHQSXAAECO-GDNZZTSVSA-N 1 0 218.300 0.466 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCOCC1 ZINC000958034394 644772244 /nfs/dbraw/zinc/77/22/44/644772244.db2.gz SZZWPLDLDJGRRF-ITGUQSILSA-N 1 0 248.326 0.093 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)F ZINC000958052800 644773002 /nfs/dbraw/zinc/77/30/02/644773002.db2.gz LMBMAIMNBJAKEV-MYJAWHEDSA-N 1 0 224.279 0.414 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccn1 ZINC000958068767 644774551 /nfs/dbraw/zinc/77/45/51/644774551.db2.gz YRPZWRWXYHOSRZ-PJXYFTJBSA-N 1 0 243.310 0.928 20 30 BCEDRO C=CC[N@@H+]1C[C@@H](CNC(=O)c2cc[nH]c2)[C@H](O)C1 ZINC000958085602 644776313 /nfs/dbraw/zinc/77/63/13/644776313.db2.gz HOXUIHPOTJEWKD-VXGBXAGGSA-N 1 0 249.314 0.223 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC000958311033 644787547 /nfs/dbraw/zinc/78/75/47/644787547.db2.gz HDLVCCSSGQGENW-GDNZZTSVSA-N 1 0 244.298 0.093 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)[C@H]1CCSC1 ZINC000308483762 711523409 /nfs/dbraw/zinc/52/34/09/711523409.db2.gz OGSPGNYYNFZGBD-DTWKUNHWSA-N 1 0 200.307 0.698 20 30 BCEDRO CCNC(NCCCC(=O)OCC)=[NH+]CC ZINC000303263973 644812908 /nfs/dbraw/zinc/81/29/08/644812908.db2.gz ROOXQHJQQPGJCF-UHFFFAOYSA-N 1 0 229.324 0.905 20 30 BCEDRO CC[C@H](C)NC(=O)CCNC(NC)=[NH+]C ZINC000303255489 644813056 /nfs/dbraw/zinc/81/30/56/644813056.db2.gz GKJIGDHZMAFYNG-QMMMGPOBSA-N 1 0 214.313 0.086 20 30 BCEDRO COCCNC(=[NH2+])NCCc1cccnc1 ZINC000303267379 644813327 /nfs/dbraw/zinc/81/33/27/644813327.db2.gz XEINNCMPIUKYSK-UHFFFAOYSA-N 1 0 222.292 0.175 20 30 BCEDRO CNC(NC[C@H](Cc1ccccc1)N(C)C)=[NH+]C ZINC000303265126 644813564 /nfs/dbraw/zinc/81/35/64/644813564.db2.gz UECDBSWLGNPLAH-ZDUSSCGKSA-N 1 0 248.374 0.954 20 30 BCEDRO C#Cc1cccc(NC(=O)CNC(NC)=[NH+]C)c1 ZINC000303262106 644813642 /nfs/dbraw/zinc/81/36/42/644813642.db2.gz PLZDVELYFSRMLZ-UHFFFAOYSA-N 1 0 244.298 0.401 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCNC(=O)C1CC1 ZINC000303255765 644813788 /nfs/dbraw/zinc/81/37/88/644813788.db2.gz GVTWWBLAJAVHIQ-MRVPVSSYSA-N 1 0 226.324 0.215 20 30 BCEDRO CCNC(NCCCOCC)=[NH+]CC ZINC000303258655 644814030 /nfs/dbraw/zinc/81/40/30/644814030.db2.gz LEDXRKAJMLJWMU-UHFFFAOYSA-N 1 0 201.314 0.988 20 30 BCEDRO CNC(=O)c1ccc(CNC(=[NH2+])NC2CC2)cc1 ZINC000303268143 644815837 /nfs/dbraw/zinc/81/58/37/644815837.db2.gz YHBFSOBXGMKKRQ-UHFFFAOYSA-N 1 0 246.314 0.613 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCCS(C)(=O)=O ZINC000303387637 644820183 /nfs/dbraw/zinc/82/01/83/644820183.db2.gz XALJVTHTJPWUAZ-QMMMGPOBSA-N 1 0 235.353 0.124 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCS(=O)(=O)CC ZINC000303387474 644820408 /nfs/dbraw/zinc/82/04/08/644820408.db2.gz BIZRKHWIICPJSU-MRVPVSSYSA-N 1 0 235.353 0.124 20 30 BCEDRO CC[C@@H](C)NC(=O)CCNC(NC1CC1)=[NH+]C ZINC000303412996 644822403 /nfs/dbraw/zinc/82/24/03/644822403.db2.gz YQQLODXDDVPOMB-SECBINFHSA-N 1 0 240.351 0.619 20 30 BCEDRO CC[C@H](C)NC(=O)CCNC(NC1CC1)=[NH+]C ZINC000303412998 644822472 /nfs/dbraw/zinc/82/24/72/644822472.db2.gz YQQLODXDDVPOMB-VIFPVBQESA-N 1 0 240.351 0.619 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC000958795657 644827091 /nfs/dbraw/zinc/82/70/91/644827091.db2.gz LWSNHTLKKKLYFT-URLYPYJESA-N 1 0 244.298 0.093 20 30 BCEDRO CC#CC(=O)NCC1CC[NH+](CC)CC1 ZINC000801139909 644837376 /nfs/dbraw/zinc/83/73/76/644837376.db2.gz VERUYPNNXKJDLB-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO CC#CC(=O)N1CCN([C@@H]2CCC[N@H+](C)C2)CC1 ZINC000801157107 644839790 /nfs/dbraw/zinc/83/97/90/644839790.db2.gz RGWCIWFLWCCBLA-CYBMUJFWSA-N 1 0 249.358 0.248 20 30 BCEDRO CCCCNC(=[NH2+])NCCNC(=O)C(C)C ZINC000303774784 644845133 /nfs/dbraw/zinc/84/51/33/644845133.db2.gz GCQJIOBCUCGYQQ-UHFFFAOYSA-N 1 0 228.340 0.463 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCCOCC(C)C ZINC000303779580 644846983 /nfs/dbraw/zinc/84/69/83/644846983.db2.gz KQXJCXQWFVUSRP-LLVKDONJSA-N 1 0 245.367 0.988 20 30 BCEDRO CCCCCCNC(=[NH2+])NCC(=O)N(C)C ZINC000303791997 644848099 /nfs/dbraw/zinc/84/80/99/644848099.db2.gz YBOLUWNWZVSTHK-UHFFFAOYSA-N 1 0 228.340 0.559 20 30 BCEDRO CC(C)COC[C@H](O)CNC(=[NH2+])NC(C)(C)C ZINC000303881464 644853995 /nfs/dbraw/zinc/85/39/95/644853995.db2.gz HTFJGGHWNSYRCH-SNVBAGLBSA-N 1 0 245.367 0.723 20 30 BCEDRO CCCCOCCNC(=[NH2+])N[C@@H](C)COC ZINC000303890839 644854111 /nfs/dbraw/zinc/85/41/11/644854111.db2.gz QFCJASGDYJKLBN-JTQLQIEISA-N 1 0 231.340 0.742 20 30 BCEDRO Cc1noc(CNC(=[NH2+])N2CCSCC2)n1 ZINC000303888861 644854582 /nfs/dbraw/zinc/85/45/82/644854582.db2.gz PFXHJLWYUHJXBI-UHFFFAOYSA-N 1 0 241.320 0.242 20 30 BCEDRO CS(=O)(=O)CCCNC(=[NH2+])NCC1CCC1 ZINC000303885562 644855007 /nfs/dbraw/zinc/85/50/07/644855007.db2.gz NICBYJJQWHZQPA-UHFFFAOYSA-N 1 0 247.364 0.126 20 30 BCEDRO CCCCNC(=[NH2+])NCCn1cccn1 ZINC000303896434 644856241 /nfs/dbraw/zinc/85/62/41/644856241.db2.gz ULOYYMWVPUAWQB-UHFFFAOYSA-N 1 0 209.297 0.588 20 30 BCEDRO CCCNC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000303968551 644860386 /nfs/dbraw/zinc/86/03/86/644860386.db2.gz ATQVZKNCFOJQFB-UHFFFAOYSA-N 1 0 235.291 0.334 20 30 BCEDRO CCS(=O)(=O)CCNC(=[NH2+])NCC1CCC1 ZINC000303974039 644861328 /nfs/dbraw/zinc/86/13/28/644861328.db2.gz HMMZPQVJJXAIEG-UHFFFAOYSA-N 1 0 247.364 0.126 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCC1(O)CCOCC1 ZINC000303977204 644863426 /nfs/dbraw/zinc/86/34/26/644863426.db2.gz LDHKZLMUTQNAJI-UHFFFAOYSA-N 1 0 243.351 0.478 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCN(C)CCOC ZINC000303983028 644863592 /nfs/dbraw/zinc/86/35/92/644863592.db2.gz QTMMUONNHBSFTD-UHFFFAOYSA-N 1 0 230.356 0.221 20 30 BCEDRO COc1ccc(C=NNC(N)=[NH2+])cc1C#N ZINC000252662705 644873479 /nfs/dbraw/zinc/87/34/79/644873479.db2.gz NQILJYFPBKTAAZ-UHFFFAOYSA-N 1 0 217.232 0.384 20 30 BCEDRO C[C@H](C#N)OCCN1CC[N@H+](C)C(C)(C)C1 ZINC000304220160 644877152 /nfs/dbraw/zinc/87/71/52/644877152.db2.gz HIEPMRLKKNZVLZ-LLVKDONJSA-N 1 0 225.336 0.941 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000304209899 644877367 /nfs/dbraw/zinc/87/73/67/644877367.db2.gz DUZPDWHVNGRQPN-MWLCHTKSSA-N 1 0 225.292 0.112 20 30 BCEDRO C[C@H](C#N)OCCN(C)CC[NH+]1CCCC1 ZINC000304236058 644878312 /nfs/dbraw/zinc/87/83/12/644878312.db2.gz MGYUTQIVHFFNKN-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO CC(C)C[N@H+](CCO[C@@H](C)C#N)CC(N)=O ZINC000304226085 644879343 /nfs/dbraw/zinc/87/93/43/644879343.db2.gz JCXTXJGZLAARHX-JTQLQIEISA-N 1 0 227.308 0.358 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)CCO[C@@H](C)C#N ZINC000304254585 644882936 /nfs/dbraw/zinc/88/29/36/644882936.db2.gz RSIJVCMEGWSIKN-UWVGGRQHSA-N 1 0 227.308 0.229 20 30 BCEDRO C[C@@H]([NH2+]CCO[C@@H](C)C#N)c1cnn(C)c1 ZINC000304260471 644884405 /nfs/dbraw/zinc/88/44/05/644884405.db2.gz ATAJNWZHJWMKOC-VHSXEESVSA-N 1 0 222.292 0.999 20 30 BCEDRO CNC(NCC1(SC)CCOCC1)=[NH+]C ZINC000304292394 644888474 /nfs/dbraw/zinc/88/84/74/644888474.db2.gz JSXZQFWJUHBHDN-UHFFFAOYSA-N 1 0 231.365 0.693 20 30 BCEDRO COC[C@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000809575345 644893298 /nfs/dbraw/zinc/89/32/98/644893298.db2.gz ZJMLTRRCGLEBCO-WDEREUQCSA-N 1 0 212.293 0.619 20 30 BCEDRO CCCCOCCOCCNC(=[NH2+])NCC ZINC000304683862 644924936 /nfs/dbraw/zinc/92/49/36/644924936.db2.gz ZXIXQCRNKUKPII-UHFFFAOYSA-N 1 0 231.340 0.744 20 30 BCEDRO CCCCNC(=[NH2+])NCCn1cnnc1CC ZINC000304678935 644924876 /nfs/dbraw/zinc/92/48/76/644924876.db2.gz YOTMCWHEOLBOCH-UHFFFAOYSA-N 1 0 238.339 0.545 20 30 BCEDRO CCOCCCNC(=[NH2+])NCCOCC1CC1 ZINC000304742229 644927800 /nfs/dbraw/zinc/92/78/00/644927800.db2.gz COFBIKMGENLEGD-UHFFFAOYSA-N 1 0 243.351 0.744 20 30 BCEDRO CC(C)NC(=[NH2+])NCCCOC[C@H]1CCOC1 ZINC000304752154 644929384 /nfs/dbraw/zinc/92/93/84/644929384.db2.gz JXUAQYUNCIOAEH-LLVKDONJSA-N 1 0 243.351 0.742 20 30 BCEDRO CC(C)NC(=[NH2+])NCCOC[C@H]1CCCO1 ZINC000304746898 644929595 /nfs/dbraw/zinc/92/95/95/644929595.db2.gz FZOOAHTYWZWAMQ-SNVBAGLBSA-N 1 0 229.324 0.495 20 30 BCEDRO CCCNC(=[NH2+])NCCS(=O)(=O)C(C)(C)C ZINC000304762017 644930399 /nfs/dbraw/zinc/93/03/99/644930399.db2.gz VCYBOTGBGRDYDE-UHFFFAOYSA-N 1 0 249.380 0.514 20 30 BCEDRO CCC1(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000304810392 644930695 /nfs/dbraw/zinc/93/06/95/644930695.db2.gz WHHXHJPHBRTGQH-UHFFFAOYSA-N 1 0 211.309 0.824 20 30 BCEDRO COC(C)(C)CNC(=[NH2+])N1CCOCC1 ZINC000304762022 644930709 /nfs/dbraw/zinc/93/07/09/644930709.db2.gz VDAGNLZOEPZPRT-UHFFFAOYSA-N 1 0 215.297 0.058 20 30 BCEDRO CCCNC(=[NH2+])NCCCOC[C@H]1CCOC1 ZINC000304759114 644930785 /nfs/dbraw/zinc/93/07/85/644930785.db2.gz QUEUAZVWOJGMPP-LLVKDONJSA-N 1 0 243.351 0.744 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCOCC1CC1 ZINC000304760385 644931405 /nfs/dbraw/zinc/93/14/05/644931405.db2.gz SHXQXDUGALOXIQ-VIFPVBQESA-N 1 0 229.324 0.352 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCC(F)(F)F ZINC000304765780 644932931 /nfs/dbraw/zinc/93/29/31/644932931.db2.gz ZSPBEFCQXXDXGG-ZCFIWIBFSA-N 1 0 227.230 0.878 20 30 BCEDRO CCc1nncn1CCNC(=[NH2+])NC(C)C ZINC000304804898 644935101 /nfs/dbraw/zinc/93/51/01/644935101.db2.gz QWQSITZKBMZMPM-UHFFFAOYSA-N 1 0 224.312 0.153 20 30 BCEDRO CN(C)c1cc[nH+]cc1C=[NH+][N-]c1cnnn1C ZINC000814984078 644948018 /nfs/dbraw/zinc/94/80/18/644948018.db2.gz UBDWROJBPLVHCH-UHFFFAOYSA-N 1 0 245.290 0.722 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]1COC ZINC000815058018 644949558 /nfs/dbraw/zinc/94/95/58/644949558.db2.gz JQPIOJXJCAOUQH-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C[C@@H]1CC[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000819250202 645008679 /nfs/dbraw/zinc/00/86/79/645008679.db2.gz UUSIEPONGFGXMI-UPJWGTAASA-N 1 0 239.363 0.971 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000819719404 645013152 /nfs/dbraw/zinc/01/31/52/645013152.db2.gz BGNYWOCBJATGAN-QWHCGFSZSA-N 1 0 232.327 0.952 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@H](CC)C(N)=O)C1 ZINC000829784173 645110560 /nfs/dbraw/zinc/11/05/60/645110560.db2.gz GQRBCHXZQWZGOK-WDEREUQCSA-N 1 0 208.305 0.986 20 30 BCEDRO C#CC1CC[NH+](CCS(=O)(=O)N(C)C)CC1 ZINC000830352061 645121627 /nfs/dbraw/zinc/12/16/27/645121627.db2.gz ZMOHRZWPUJXNDG-UHFFFAOYSA-N 1 0 244.360 0.223 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000831732656 645130284 /nfs/dbraw/zinc/13/02/84/645130284.db2.gz CUNBUNHMMJBGRK-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO CCc1ccnc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834484584 645142676 /nfs/dbraw/zinc/14/26/76/645142676.db2.gz KRPUBDQQUXMFKK-CMPLNLGQSA-N 1 0 244.298 0.485 20 30 BCEDRO CCOCCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834521242 645142714 /nfs/dbraw/zinc/14/27/14/645142714.db2.gz FQJUHLZHGBPIED-UWVGGRQHSA-N 1 0 225.292 0.031 20 30 BCEDRO Cc1ncccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834484266 645142762 /nfs/dbraw/zinc/14/27/62/645142762.db2.gz GMPSYEZJJXRLQS-KOLCDFICSA-N 1 0 230.271 0.231 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCc1ccncc1 ZINC000834521215 645143725 /nfs/dbraw/zinc/14/37/25/645143725.db2.gz DYFABRGUCJXGPZ-NWDGAFQWSA-N 1 0 244.298 0.242 20 30 BCEDRO CCc1ccnc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834484586 645143909 /nfs/dbraw/zinc/14/39/09/645143909.db2.gz KRPUBDQQUXMFKK-PWSUYJOCSA-N 1 0 244.298 0.485 20 30 BCEDRO C=C(CO)C(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000836946991 645182597 /nfs/dbraw/zinc/18/25/97/645182597.db2.gz FVUZLIPIUNNJHY-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO O=C(C#CC1CC1)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000837364484 645197306 /nfs/dbraw/zinc/19/73/06/645197306.db2.gz DHKWPVCDPKRIEV-LLVKDONJSA-N 1 0 218.300 0.753 20 30 BCEDRO O=C(C#CC1CC1)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000837364485 645197499 /nfs/dbraw/zinc/19/74/99/645197499.db2.gz DHKWPVCDPKRIEV-NSHDSACASA-N 1 0 218.300 0.753 20 30 BCEDRO C#CCNC(=O)N(CC[NH3+])Cc1ccccc1 ZINC000841506848 645217275 /nfs/dbraw/zinc/21/72/75/645217275.db2.gz IISUQHMGDONDIN-UHFFFAOYSA-N 1 0 231.299 0.790 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)NC1CCCCC1 ZINC000841507069 645217509 /nfs/dbraw/zinc/21/75/09/645217509.db2.gz QKRZCRSWMSJPHV-KOLCDFICSA-N 1 0 236.319 0.730 20 30 BCEDRO CC(C)(C)NC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841507137 645217770 /nfs/dbraw/zinc/21/77/70/645217770.db2.gz VTFVNMROLXKJJY-SFYZADRCSA-N 1 0 210.281 0.196 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000926527319 645254967 /nfs/dbraw/zinc/25/49/67/645254967.db2.gz QSHGUOIMWGQCRO-KXNHARMFSA-N 1 0 238.331 0.977 20 30 BCEDRO Cc1ccc([C@H](O)C[NH2+]CC#CCO)cc1 ZINC000843078881 645262600 /nfs/dbraw/zinc/26/26/00/645262600.db2.gz GACBVQNHJMDWFR-CYBMUJFWSA-N 1 0 219.284 0.614 20 30 BCEDRO C=C(CC)C[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000926550491 645274149 /nfs/dbraw/zinc/27/41/49/645274149.db2.gz MJVLJKJAKQTXQW-NSHDSACASA-N 1 0 238.331 0.837 20 30 BCEDRO C#CC1CCN(C(=S)NCC[NH+](C)C)CC1 ZINC000843282664 645278579 /nfs/dbraw/zinc/27/85/79/645278579.db2.gz CIIGOLSMCCKLIK-UHFFFAOYSA-N 1 0 239.388 0.768 20 30 BCEDRO C#CCCCN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000844381653 645324103 /nfs/dbraw/zinc/32/41/03/645324103.db2.gz PMHNPJSTBLLOGH-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCN1CC[C@@H](O)C1 ZINC000926766590 645410805 /nfs/dbraw/zinc/41/08/05/645410805.db2.gz GQHKCNONCOWRMK-VXGBXAGGSA-N 1 0 239.363 0.971 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)COCCOC)C1 ZINC000847020132 645418170 /nfs/dbraw/zinc/41/81/70/645418170.db2.gz WEGWUEYPCGXKMA-CHWSQXEVSA-N 1 0 241.331 0.356 20 30 BCEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCN1CC[C@H](O)C1 ZINC000926773945 645420609 /nfs/dbraw/zinc/42/06/09/645420609.db2.gz GQHKCNONCOWRMK-RYUDHWBXSA-N 1 0 239.363 0.971 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)COCC)C1 ZINC000847028052 645421033 /nfs/dbraw/zinc/42/10/33/645421033.db2.gz XGTKHZDTRMNQCD-NEPJUHHUSA-N 1 0 211.305 0.729 20 30 BCEDRO C#C[C@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000848285552 645436992 /nfs/dbraw/zinc/43/69/92/645436992.db2.gz UYRNUBRMDSPKIY-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO C[C@@H]1COC[C@@H]1[NH+]1CCN(CCC#N)CC1 ZINC000926807728 645439624 /nfs/dbraw/zinc/43/96/24/645439624.db2.gz MFSDHWCUAMKLKW-NEPJUHHUSA-N 1 0 223.320 0.553 20 30 BCEDRO C[C@H]1COC[C@H]1[NH+]1CCN(CCC#N)CC1 ZINC000926807729 645440364 /nfs/dbraw/zinc/44/03/64/645440364.db2.gz MFSDHWCUAMKLKW-NWDGAFQWSA-N 1 0 223.320 0.553 20 30 BCEDRO C[C@@H](O)CCC[NH+]=C(N(C)C)N(C)C ZINC000849023515 645447770 /nfs/dbraw/zinc/44/77/70/645447770.db2.gz BULMYQPWFLFYOC-SECBINFHSA-N 1 0 201.314 0.627 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CC(CCOC)C1 ZINC000849329650 645448559 /nfs/dbraw/zinc/44/85/59/645448559.db2.gz ZIWKMWRUEULSEE-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@]1(C)CC1(F)F ZINC000849331222 645451205 /nfs/dbraw/zinc/45/12/05/645451205.db2.gz NIUJJSWPEHDAHK-JTQLQIEISA-N 1 0 230.258 0.761 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1cncc(C)n1 ZINC000849331255 645451211 /nfs/dbraw/zinc/45/12/11/645451211.db2.gz OEUYHLKWSDLGCX-UHFFFAOYSA-N 1 0 246.314 0.057 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)c1cnn(C)n1 ZINC000926866888 645464163 /nfs/dbraw/zinc/46/41/63/645464163.db2.gz ZGVIZUVKTZHHHO-ZJUUUORDSA-N 1 0 224.308 0.793 20 30 BCEDRO C#CC[C@@H]1NC(=O)N([C@@H]2CC[N@H+](C)[C@H](C)C2)C1=O ZINC000927503225 645629899 /nfs/dbraw/zinc/62/98/99/645629899.db2.gz RUILQSJORSVZER-MXWKQRLJSA-N 1 0 249.314 0.413 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863553414 645704044 /nfs/dbraw/zinc/70/40/44/645704044.db2.gz BEGPDDNOFSYXHG-NSHDSACASA-N 1 0 222.288 0.281 20 30 BCEDRO Cn1ccc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)n1 ZINC000863553644 645704160 /nfs/dbraw/zinc/70/41/60/645704160.db2.gz HBDJLNJLVWHEPM-NSHDSACASA-N 1 0 234.303 0.564 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](C#N)C1 ZINC000928218429 645714212 /nfs/dbraw/zinc/71/42/12/645714212.db2.gz HGRNMINOMPMBRP-NSHDSACASA-N 1 0 221.304 0.866 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NN1CCC[C@H](OC)C1 ZINC000928420085 645734108 /nfs/dbraw/zinc/73/41/08/645734108.db2.gz RCFNZQWJADBQBN-NSHDSACASA-N 1 0 241.335 0.246 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928432328 645745278 /nfs/dbraw/zinc/74/52/78/645745278.db2.gz JFGBJLPGNDGNMC-KKOKHZNYSA-N 1 0 238.331 0.786 20 30 BCEDRO C#CCCCC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928442706 645745760 /nfs/dbraw/zinc/74/57/60/645745760.db2.gz RRXLOJRAOYIVBP-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928429536 645746109 /nfs/dbraw/zinc/74/61/09/645746109.db2.gz QYGYLBASIMFSPI-AVGNSLFASA-N 1 0 249.358 0.293 20 30 BCEDRO C#CCOCCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928446243 645772690 /nfs/dbraw/zinc/77/26/90/645772690.db2.gz VMGULAZIQNIOMK-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928447610 645772980 /nfs/dbraw/zinc/77/29/80/645772980.db2.gz LGTUGIZVMFFRKK-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928447609 645773352 /nfs/dbraw/zinc/77/33/52/645773352.db2.gz LGTUGIZVMFFRKK-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)nc1 ZINC000928447600 645774321 /nfs/dbraw/zinc/77/43/21/645774321.db2.gz LFFZFROVXLJDGU-ZYHUDNBSSA-N 1 0 243.310 0.885 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)C1(O)CCOCC1)C1CC1 ZINC000930174488 645811863 /nfs/dbraw/zinc/81/18/63/645811863.db2.gz AUYMGTZAZZGWPN-LBPRGKRZSA-N 1 0 241.331 0.539 20 30 BCEDRO C#CC[C@@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000878762050 645823103 /nfs/dbraw/zinc/82/31/03/645823103.db2.gz WPNMOTSPZUNRTF-LLVKDONJSA-N 1 0 219.292 0.408 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](NC(C)=O)C[C@H]1C ZINC000946945485 645829688 /nfs/dbraw/zinc/82/96/88/645829688.db2.gz BSVZDRQCEBKQMK-PWSUYJOCSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C(F)F)C[C@@H]1C ZINC000946946562 645830629 /nfs/dbraw/zinc/83/06/29/645830629.db2.gz OFAVLIFRGAQMND-DTWKUNHWSA-N 1 0 230.258 0.854 20 30 BCEDRO C#CCC1(O)CC[NH+]([C@H](CC)C(N)=O)CC1 ZINC000880479694 645832739 /nfs/dbraw/zinc/83/27/39/645832739.db2.gz UGEHSOFLDDEIEM-SNVBAGLBSA-N 1 0 224.304 0.101 20 30 BCEDRO C#CCC1(O)CC[NH+](CC2(C)COC2)CC1 ZINC000880479832 645833158 /nfs/dbraw/zinc/83/31/58/645833158.db2.gz ZNEADQNTEHTWLU-UHFFFAOYSA-N 1 0 223.316 0.873 20 30 BCEDRO C#CCC1(O)CC[NH+](CCCNC(C)=O)CC1 ZINC000880479132 645833305 /nfs/dbraw/zinc/83/33/05/645833305.db2.gz KMMJLUPYIXQEQU-UHFFFAOYSA-N 1 0 238.331 0.363 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@H](C)C1 ZINC000928584770 645838316 /nfs/dbraw/zinc/83/83/16/645838316.db2.gz FICFUFUTUBYMLM-SNVBAGLBSA-N 1 0 226.320 0.599 20 30 BCEDRO C#CC1(F)CN(C(=O)NCC[NH+](CC)CC)C1 ZINC000883032264 645846441 /nfs/dbraw/zinc/84/64/41/645846441.db2.gz BPBZNCZDSIARGY-UHFFFAOYSA-N 1 0 241.310 0.695 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)Cc2ncc[nH]2)CC1 ZINC000928651275 645852597 /nfs/dbraw/zinc/85/25/97/645852597.db2.gz RTRRCNGYQLHFLC-UHFFFAOYSA-N 1 0 246.314 0.166 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@H](CC)CO)CC1 ZINC000928649414 645852952 /nfs/dbraw/zinc/85/29/52/645852952.db2.gz KMHDKXNKARYEND-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886839555 645891447 /nfs/dbraw/zinc/89/14/47/645891447.db2.gz HKYDFBGPOFQIGY-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO C=C(C)C[N@H+](CC)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000929217625 646018475 /nfs/dbraw/zinc/01/84/75/646018475.db2.gz MVOXNWYVADJQFH-QWHCGFSZSA-N 1 0 243.347 0.787 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(CNC(C)=O)CC1 ZINC000929342576 646088449 /nfs/dbraw/zinc/08/84/49/646088449.db2.gz RBXCCWUCXZDZAW-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO N#Cc1ccc(C[N@@H+](C[C@H](O)CO)C2CC2)cc1 ZINC000929367997 646101897 /nfs/dbraw/zinc/10/18/97/646101897.db2.gz UBCYTKLGKKNNEF-AWEZNQCLSA-N 1 0 246.310 0.876 20 30 BCEDRO N#CC1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929414677 646112494 /nfs/dbraw/zinc/11/24/94/646112494.db2.gz DWSMXRSPYCSSDQ-NSHDSACASA-N 1 0 224.304 0.498 20 30 BCEDRO C[C@@H]1COC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925004607 646154900 /nfs/dbraw/zinc/15/49/00/646154900.db2.gz SGXIARLXTCGDQW-PWSUYJOCSA-N 1 0 223.320 0.599 20 30 BCEDRO CCC[N@H+](C[C@H](O)CC#N)CC(C)(C)O ZINC000929526461 646174802 /nfs/dbraw/zinc/17/48/02/646174802.db2.gz RSMZPIHJZMGDCS-SNVBAGLBSA-N 1 0 214.309 0.744 20 30 BCEDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000929594200 646187521 /nfs/dbraw/zinc/18/75/21/646187521.db2.gz BZZFIXCBARTOLL-GMTAPVOTSA-N 1 0 212.293 0.496 20 30 BCEDRO C[C@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000929594201 646188016 /nfs/dbraw/zinc/18/80/16/646188016.db2.gz BZZFIXCBARTOLL-HBNTYKKESA-N 1 0 212.293 0.496 20 30 BCEDRO CCOCC[N@H+](CC)C[C@H](O)CC#N ZINC000929601696 646192163 /nfs/dbraw/zinc/19/21/63/646192163.db2.gz RZBYMGZBPCKQJD-SNVBAGLBSA-N 1 0 200.282 0.619 20 30 BCEDRO C#CC[C@@H]1NC(=O)N([C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000925300535 646233339 /nfs/dbraw/zinc/23/33/39/646233339.db2.gz WLWVSFOXRCWRHR-ZJUUUORDSA-N 1 0 235.287 0.024 20 30 BCEDRO C=CCN1CC(=O)N([C@H]2CC[N@@H+](CC)C2)C1=O ZINC000925316431 646236022 /nfs/dbraw/zinc/23/60/22/646236022.db2.gz KTNMHXGKEOMVOY-JTQLQIEISA-N 1 0 237.303 0.531 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925324310 646241374 /nfs/dbraw/zinc/24/13/74/646241374.db2.gz CSHSMBCBLOMNPY-OLZOCXBDSA-N 1 0 247.342 0.747 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925332559 646242620 /nfs/dbraw/zinc/24/26/20/646242620.db2.gz PIGBJLMMMXMGHY-HBNTYKKESA-N 1 0 241.335 0.315 20 30 BCEDRO CC[C@@H](O)[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000929684431 646243163 /nfs/dbraw/zinc/24/31/63/646243163.db2.gz GWYZKUUDXFBAMF-GRYCIOLGSA-N 1 0 226.320 0.886 20 30 BCEDRO C=CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925337002 646249404 /nfs/dbraw/zinc/24/94/04/646249404.db2.gz GATQGRHHZQVCCE-ZJUUUORDSA-N 1 0 211.309 0.906 20 30 BCEDRO C#CC1(F)CN(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000925354105 646251246 /nfs/dbraw/zinc/25/12/46/646251246.db2.gz JQUZXQLGHLDNNM-NXEZZACHSA-N 1 0 239.294 0.446 20 30 BCEDRO C#CCN(C(=O)NC[C@@H]1CC[N@H+]1C)C1CC1 ZINC000925413154 646269825 /nfs/dbraw/zinc/26/98/25/646269825.db2.gz FGHKSPLFEWOPAT-NSHDSACASA-N 1 0 221.304 0.498 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925430859 646277922 /nfs/dbraw/zinc/27/79/22/646277922.db2.gz CCLNBNCBKYXGEK-GHMZBOCLSA-N 1 0 241.335 0.317 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925430862 646278656 /nfs/dbraw/zinc/27/86/56/646278656.db2.gz CCLNBNCBKYXGEK-WDEREUQCSA-N 1 0 241.335 0.317 20 30 BCEDRO CC[N@H+](CCC#N)CC1CN(S(C)(=O)=O)C1 ZINC000929774864 646303789 /nfs/dbraw/zinc/30/37/89/646303789.db2.gz SMWVZCAFAQPYPL-UHFFFAOYSA-N 1 0 245.348 0.113 20 30 BCEDRO COC[C@](C)(CCO)[NH2+]Cc1cncc(C#N)c1 ZINC000929822627 646339610 /nfs/dbraw/zinc/33/96/10/646339610.db2.gz HXABVNCYDRJDRH-ZDUSSCGKSA-N 1 0 249.314 0.830 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CCSC[C@H]1CCO ZINC000929831525 646345720 /nfs/dbraw/zinc/34/57/20/646345720.db2.gz FHAAOBWSRNOOCX-NXEZZACHSA-N 1 0 230.333 0.061 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCN[C@H]1C ZINC000925629871 646374965 /nfs/dbraw/zinc/37/49/65/646374965.db2.gz MBVBQNQBYLUAHM-SRVKXCTJSA-N 1 0 212.337 0.901 20 30 BCEDRO C=CC[C@@H](CO)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925647904 646390441 /nfs/dbraw/zinc/39/04/41/646390441.db2.gz KCBCYQPUIHKUIL-WDEREUQCSA-N 1 0 210.321 0.798 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)C1CCC(CO)CC1 ZINC000930054825 646412844 /nfs/dbraw/zinc/41/28/44/646412844.db2.gz QYQIYOROGVOAGZ-HTAVTVPLSA-N 1 0 226.320 0.744 20 30 BCEDRO CCOCCO[C@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000930071423 646420731 /nfs/dbraw/zinc/42/07/31/646420731.db2.gz GWQOLNZPIWXZST-NEPJUHHUSA-N 1 0 242.319 0.388 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)C[C@@H]1CCC[C@H]1O ZINC000930096162 646433420 /nfs/dbraw/zinc/43/34/20/646433420.db2.gz GBHVTGQMHGVJJF-HBNTYKKESA-N 1 0 212.293 0.354 20 30 BCEDRO CS[C@H]1CN(C[C@H](O)CC#N)C[C@@H]1[NH+](C)C ZINC000930129120 646451740 /nfs/dbraw/zinc/45/17/40/646451740.db2.gz SDIZPSJUSLCWOE-VWYCJHECSA-N 1 0 243.376 0.238 20 30 BCEDRO CS[C@H]1CN(C[C@H](O)CC#N)C[C@H]1[NH+](C)C ZINC000930129118 646451793 /nfs/dbraw/zinc/45/17/93/646451793.db2.gz SDIZPSJUSLCWOE-MXWKQRLJSA-N 1 0 243.376 0.238 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000925772856 646473406 /nfs/dbraw/zinc/47/34/06/646473406.db2.gz VKEQOYSWFJPVDR-YNEHKIRRSA-N 1 0 242.363 0.670 20 30 BCEDRO N#Cc1ccc(F)c(CN[C@H]2C[NH2+]CCOC2)c1 ZINC000925814487 646491023 /nfs/dbraw/zinc/49/10/23/646491023.db2.gz MAHJDGOOXCWTOL-LBPRGKRZSA-N 1 0 249.289 0.775 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1COC[C@H]1C ZINC000926128095 646581087 /nfs/dbraw/zinc/58/10/87/646581087.db2.gz WDDQXOSFOKRMNL-ZJUUUORDSA-N 1 0 233.333 0.212 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1COC[C@H]1C ZINC000926128091 646581286 /nfs/dbraw/zinc/58/12/86/646581286.db2.gz WDDQXOSFOKRMNL-NXEZZACHSA-N 1 0 233.333 0.212 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCC1(OC)OC)[C@H]1CCCO1 ZINC000926211929 646595083 /nfs/dbraw/zinc/59/50/83/646595083.db2.gz WNASRWQLJYCNGN-QJPTWQEYSA-N 1 0 239.315 0.908 20 30 BCEDRO C#C[C@@H]([NH2+]C1CCN(OC)CC1)[C@@H]1CCCO1 ZINC000926211944 646595369 /nfs/dbraw/zinc/59/53/69/646595369.db2.gz WRKUPNKGAWUGRJ-OLZOCXBDSA-N 1 0 238.331 0.783 20 30 BCEDRO C#C[C@H]([NH2+]C1CCN(OC)CC1)[C@@H]1CCCO1 ZINC000926211946 646595964 /nfs/dbraw/zinc/59/59/64/646595964.db2.gz WRKUPNKGAWUGRJ-STQMWFEESA-N 1 0 238.331 0.783 20 30 BCEDRO C=CC[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000926238909 646603277 /nfs/dbraw/zinc/60/32/77/646603277.db2.gz FNPDZHUESNLMIL-VIFPVBQESA-N 1 0 210.277 0.057 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@H](C)c1cnn(C)n1 ZINC000926490710 646660864 /nfs/dbraw/zinc/66/08/64/646660864.db2.gz QEWWJCVFPALRDP-LLVKDONJSA-N 1 0 235.335 0.421 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@@H]1C[C@H](C)n2ncnc21 ZINC000926491661 646661235 /nfs/dbraw/zinc/66/12/35/646661235.db2.gz YUNORQSHYVPTBX-NWDGAFQWSA-N 1 0 247.346 0.829 20 30 BCEDRO C#C[C@H]([NH2+]CC1(O)CCC1)[C@@H]1CCCO1 ZINC000308899029 711574164 /nfs/dbraw/zinc/57/41/64/711574164.db2.gz BIJKCILELJILSD-QWRGUYRKSA-N 1 0 209.289 0.672 20 30 BCEDRO CO[C@@H]1CCOC[C@H]1[NH2+]CCOCCC#N ZINC000724887277 711625589 /nfs/dbraw/zinc/62/55/89/711625589.db2.gz PTCLVTYMVUSWNR-GHMZBOCLSA-N 1 0 228.292 0.310 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@](C)(COC)C1 ZINC000394484000 711688194 /nfs/dbraw/zinc/68/81/94/711688194.db2.gz MYWNPKZOGYLRPP-GFCCVEGCSA-N 1 0 224.304 0.094 20 30 BCEDRO CNC(NC[C@]1(OC(C)C)CCOC1)=[NH+]C ZINC000722347339 711743126 /nfs/dbraw/zinc/74/31/26/711743126.db2.gz OHFNOWJSHTYICA-LLVKDONJSA-N 1 0 229.324 0.365 20 30 BCEDRO Cc1cnccc1C(=O)NCC#CC[NH+](C)C ZINC000913521036 711823923 /nfs/dbraw/zinc/82/39/23/711823923.db2.gz IZGJPDZRAPRVTK-UHFFFAOYSA-N 1 0 231.299 0.685 20 30 BCEDRO COCCC(C)(C)C(=O)NCC#CC[NH+](C)C ZINC000913520961 711824072 /nfs/dbraw/zinc/82/40/72/711824072.db2.gz GFIWNMHLKBWXRP-UHFFFAOYSA-N 1 0 240.347 0.730 20 30 BCEDRO CCOc1ncccc1CNC(=[NH2+])N(C)C ZINC000170911701 711837938 /nfs/dbraw/zinc/83/79/38/711837938.db2.gz VRTUPHGPJXHJLQ-UHFFFAOYSA-N 1 0 222.292 0.857 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)C2CC2)C1 ZINC001032848855 711962388 /nfs/dbraw/zinc/96/23/88/711962388.db2.gz OGZBXKQRIRRRKA-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000700397648 711991393 /nfs/dbraw/zinc/99/13/93/711991393.db2.gz DRJRAHSJIVLPAI-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(CC)C(=O)C2CC2)C1 ZINC001033728236 712016545 /nfs/dbraw/zinc/01/65/45/712016545.db2.gz LEROLHCHRZIWCV-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO CCCCCCCNC(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000703756944 712085023 /nfs/dbraw/zinc/08/50/23/712085023.db2.gz PMUUWKZFMWNKRC-GHMZBOCLSA-N 1 0 228.336 0.796 20 30 BCEDRO C[C@H](C#N)C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000706315065 712143326 /nfs/dbraw/zinc/14/33/26/712143326.db2.gz UYTIHEKIJCCBSC-RAIGVLPGSA-N 1 0 235.331 0.946 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]2CN(C(C)=O)CC[C@H]21 ZINC001036610793 712224550 /nfs/dbraw/zinc/22/45/50/712224550.db2.gz UOMVIMKXKCOMMQ-QWHCGFSZSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCCS(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000711065847 712278342 /nfs/dbraw/zinc/27/83/42/712278342.db2.gz XLNRTJUBMLKHBS-LLVKDONJSA-N 1 0 244.360 0.366 20 30 BCEDRO C=C(Cl)CNC(=S)NCC[NH+](C)C ZINC000379381954 712379555 /nfs/dbraw/zinc/37/95/55/712379555.db2.gz HRYHUROCMOVBSS-UHFFFAOYSA-N 1 0 221.757 0.765 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNc1ccnc(C#N)c1 ZINC000712568739 712447174 /nfs/dbraw/zinc/44/71/74/712447174.db2.gz FHKVCLLHYFJASW-LLVKDONJSA-N 1 0 202.261 0.491 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNc1cc(C#N)ncn1 ZINC000712570615 712447429 /nfs/dbraw/zinc/44/74/29/712447429.db2.gz STBRSOXSBKJMOC-SECBINFHSA-N 1 0 203.249 0.464 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@]12C[C@H]1C[C@H]([NH3+])C2 ZINC000713239398 712456066 /nfs/dbraw/zinc/45/60/66/712456066.db2.gz HCLWRFAIZBCXST-SVDPJWKOSA-N 1 0 221.304 0.874 20 30 BCEDRO C=CCNC(=O)CN1CC[NH2+]CCC12CCC2 ZINC000713215131 712455269 /nfs/dbraw/zinc/45/52/69/712455269.db2.gz FUUUONZHGSKBFK-UHFFFAOYSA-N 1 0 237.347 0.507 20 30 BCEDRO C[C@H](C#N)CNC(=O)C12CC[NH+](CC1)C2 ZINC000715827346 712534168 /nfs/dbraw/zinc/53/41/68/712534168.db2.gz VNGYCHZPXSIRCQ-SECBINFHSA-N 1 0 207.277 0.358 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715946266 712545076 /nfs/dbraw/zinc/54/50/76/712545076.db2.gz RKLPQMGLWIJEAV-UWVGGRQHSA-N 1 0 224.308 0.793 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cn(C)nn1 ZINC000715946268 712545129 /nfs/dbraw/zinc/54/51/29/712545129.db2.gz RKLPQMGLWIJEAV-VHSXEESVSA-N 1 0 224.308 0.793 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)COCC ZINC000716341284 712555342 /nfs/dbraw/zinc/55/53/42/712555342.db2.gz VPLMEUFSTMSBLM-GHMZBOCLSA-N 1 0 215.293 0.012 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]CC1(O)CCCC1 ZINC000716341360 712555531 /nfs/dbraw/zinc/55/55/31/712555531.db2.gz WPIZLWIXGGIHRK-NSHDSACASA-N 1 0 211.305 0.919 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1ccnc(OC)n1 ZINC000716817829 712576593 /nfs/dbraw/zinc/57/65/93/712576593.db2.gz HBTYTDMDZWKUKQ-NSHDSACASA-N 1 0 235.287 0.613 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1c(C)cnn1C ZINC000716954630 712599514 /nfs/dbraw/zinc/59/95/14/712599514.db2.gz AQXRDNXJJLOTET-LLVKDONJSA-N 1 0 221.304 0.856 20 30 BCEDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(C#N)cc1F ZINC000717272296 712642020 /nfs/dbraw/zinc/64/20/20/712642020.db2.gz UUOLJXUGAYDQJJ-PRHODGIISA-N 1 0 238.262 0.529 20 30 BCEDRO C[C@H](O)[C@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000717286793 712645072 /nfs/dbraw/zinc/64/50/72/712645072.db2.gz FLRDCYATHCWYKE-OIBJUYFYSA-N 1 0 226.301 0.451 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(CO)cc1 ZINC000717726240 712667490 /nfs/dbraw/zinc/66/74/90/712667490.db2.gz BBTCGPTWBRXTDF-CYBMUJFWSA-N 1 0 219.284 0.653 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]CC1(COC)CCC1 ZINC000717728733 712667709 /nfs/dbraw/zinc/66/77/09/712667709.db2.gz QYPYFOXLDNSMJF-NSHDSACASA-N 1 0 211.305 0.777 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000717734151 712667907 /nfs/dbraw/zinc/66/79/07/712667907.db2.gz UUDDVSCZNFXWOQ-JGVFFNPUSA-N 1 0 225.210 0.274 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000717734152 712667963 /nfs/dbraw/zinc/66/79/63/712667963.db2.gz UUDDVSCZNFXWOQ-SFYZADRCSA-N 1 0 225.210 0.274 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000717730074 712668153 /nfs/dbraw/zinc/66/81/53/712668153.db2.gz YPNDPLSMIGYRQF-QWRGUYRKSA-N 1 0 227.304 0.502 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c(C)nn(C)c1Cl ZINC000717785963 712677001 /nfs/dbraw/zinc/67/70/01/712677001.db2.gz HDGBQKQMOVMDQX-SECBINFHSA-N 1 0 241.722 0.856 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1CCCO1)[C@H]1CCCO1 ZINC000380110537 712687775 /nfs/dbraw/zinc/68/77/75/712687775.db2.gz RTGDRUQJZIXGEV-SDDRHHMPSA-N 1 0 209.289 0.936 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1CCCO1)[C@@H]1CCCO1 ZINC000380110545 712687265 /nfs/dbraw/zinc/68/72/65/712687265.db2.gz RTGDRUQJZIXGEV-SRVKXCTJSA-N 1 0 209.289 0.936 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)C1CC[NH+](C)CC1 ZINC000717852409 712694867 /nfs/dbraw/zinc/69/48/67/712694867.db2.gz QWFGLKBSLWHTEI-LBPRGKRZSA-N 1 0 238.331 0.219 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CSC)[C@@H]1CCCO1 ZINC000380159119 712702324 /nfs/dbraw/zinc/70/23/24/712702324.db2.gz AEIXQCWBKOIPOA-DCAQKATOSA-N 1 0 229.345 0.481 20 30 BCEDRO C[C@H](O)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000037888443 712780928 /nfs/dbraw/zinc/78/09/28/712780928.db2.gz YCOCWAIFDNHGPK-CABZTGNLSA-N 1 0 220.272 0.562 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)COC)C[C@@H]1CC ZINC001037752367 712886742 /nfs/dbraw/zinc/88/67/42/712886742.db2.gz MXAUFZWBRFIGSF-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccncc1 ZINC001038013789 712898406 /nfs/dbraw/zinc/89/84/06/712898406.db2.gz HKBKXHGYQYLISM-CYBMUJFWSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@]1(CCC)CCOC1 ZINC000381551215 710653660 /nfs/dbraw/zinc/65/36/60/710653660.db2.gz MUSWISKGXXAHKQ-GFCCVEGCSA-N 1 0 224.304 0.285 20 30 BCEDRO C=CCOCCCc1nc(CC[NH3+])no1 ZINC000381582513 710658581 /nfs/dbraw/zinc/65/85/81/710658581.db2.gz AWEDKCOLOAWNJL-UHFFFAOYSA-N 1 0 211.265 0.706 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@](C)(O)C(=O)OC ZINC000384136383 710658661 /nfs/dbraw/zinc/65/86/61/710658661.db2.gz CAPBMNXYUXMMJI-MNOVXSKESA-N 1 0 213.277 0.302 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)NC(=O)NCC ZINC000384138825 710660133 /nfs/dbraw/zinc/66/01/33/710660133.db2.gz FGLPCSGIVOWNEC-SKDRFNHKSA-N 1 0 239.319 0.612 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cc(C)n[nH]2)C1 ZINC001018703396 710667965 /nfs/dbraw/zinc/66/79/65/710667965.db2.gz VEWYCDNBRQORJS-NSHDSACASA-N 1 0 246.314 0.084 20 30 BCEDRO CC(C)(C)CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000393737164 710671669 /nfs/dbraw/zinc/67/16/69/710671669.db2.gz AMSQXZOXCMQJLM-BDAKNGLRSA-N 1 0 209.293 0.650 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cncn1C ZINC001038478153 710689668 /nfs/dbraw/zinc/68/96/68/710689668.db2.gz SRYHIOQZWIBQFZ-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCCS(C)(=O)=O ZINC000384161270 710672802 /nfs/dbraw/zinc/67/28/02/710672802.db2.gz JYVGZJJLRZCXSX-JTQLQIEISA-N 1 0 217.334 0.813 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)c1nccc(C)n1 ZINC001038208232 710678753 /nfs/dbraw/zinc/67/87/53/710678753.db2.gz MBYSQLUSKDALFB-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO C#CCN1CC[C@H]1CNC(=O)c1nn(C)cc1C ZINC001038249859 710680295 /nfs/dbraw/zinc/68/02/95/710680295.db2.gz RRDGGKIDYXGAQX-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO N#Cc1cnc(NCCN2CCC([NH3+])CC2)cn1 ZINC000721851212 710687283 /nfs/dbraw/zinc/68/72/83/710687283.db2.gz HCZNGQULGVYRNP-UHFFFAOYSA-N 1 0 246.318 0.183 20 30 BCEDRO C#CCC[NH2+][C@]1(CC(=O)OC)CCCOC1 ZINC000381775363 710711195 /nfs/dbraw/zinc/71/11/95/710711195.db2.gz WVQFXQHNWQPTNC-LBPRGKRZSA-N 1 0 225.288 0.712 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C1CSC1 ZINC000381839980 710732627 /nfs/dbraw/zinc/73/26/27/710732627.db2.gz CZVFJKNKQIKVTO-UHFFFAOYSA-N 1 0 221.347 0.292 20 30 BCEDRO C#CC[N@H+]1CC[C@]2(CCN(C(=O)CC)C2)C1 ZINC001040960877 710761610 /nfs/dbraw/zinc/76/16/10/710761610.db2.gz NFRZVYDOMCLUKX-ZDUSSCGKSA-N 1 0 220.316 0.954 20 30 BCEDRO CC(C)[C@@](C)(CO)[NH2+]CCOCCC#N ZINC000382097415 710776492 /nfs/dbraw/zinc/77/64/92/710776492.db2.gz FFZDTBBZSCMJEP-LLVKDONJSA-N 1 0 214.309 0.913 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000393818700 710799999 /nfs/dbraw/zinc/79/99/99/710799999.db2.gz HURZZHHRVDZQEB-WDEREUQCSA-N 1 0 224.304 0.283 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)CC(=O)OCC ZINC000384179881 710805460 /nfs/dbraw/zinc/80/54/60/710805460.db2.gz PQXLWEPPKJQGKY-ZYHUDNBSSA-N 1 0 227.304 0.692 20 30 BCEDRO COc1ccc(O)c(C=NNC(N)=[NH2+])c1 ZINC000384197762 710821102 /nfs/dbraw/zinc/82/11/02/710821102.db2.gz ZEVXBIYUQURHCX-UHFFFAOYSA-N 1 0 208.221 0.218 20 30 BCEDRO CC#CCN1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044291027 710822436 /nfs/dbraw/zinc/82/24/36/710822436.db2.gz YMVKBYUMNAOEIY-LBPRGKRZSA-N 1 0 249.358 0.104 20 30 BCEDRO C#CCCN1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044294948 710823385 /nfs/dbraw/zinc/82/33/85/710823385.db2.gz JZGGHIMWLKHWED-UHFFFAOYSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cocn2)[C@H](C)C1 ZINC001044490429 710827805 /nfs/dbraw/zinc/82/78/05/710827805.db2.gz PHWDDPBEOWXFLQ-MNOVXSKESA-N 1 0 247.298 0.891 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)[C@H](C)C1 ZINC001044486063 710827999 /nfs/dbraw/zinc/82/79/99/710827999.db2.gz IPEYGLIOLPMJQQ-PWSUYJOCSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)[C@@H](C)C1 ZINC001044486062 710828725 /nfs/dbraw/zinc/82/87/25/710828725.db2.gz IPEYGLIOLPMJQQ-JQWIXIFHSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001046124597 710851005 /nfs/dbraw/zinc/85/10/05/710851005.db2.gz XLWKBWRGRPTYIZ-WCQYABFASA-N 1 0 236.315 0.379 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)[C@@H]2CCCO2)C1 ZINC001046123135 710851024 /nfs/dbraw/zinc/85/10/24/710851024.db2.gz QGXWYPGLDKUNAF-WCQYABFASA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCC[N@H+]1CC[C@](C)(NC(=O)c2ccon2)C1 ZINC001046170550 710853133 /nfs/dbraw/zinc/85/31/33/710853133.db2.gz CEGYJMZQRCJGPO-ZDUSSCGKSA-N 1 0 247.298 0.892 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ncc[nH]2)C1 ZINC001046301655 710859232 /nfs/dbraw/zinc/85/92/32/710859232.db2.gz SULSKIDQNNLSIC-GFCCVEGCSA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2cncnc2)C1 ZINC001046264347 710859252 /nfs/dbraw/zinc/85/92/52/710859252.db2.gz QBAMKFZPXBHFLK-ZDUSSCGKSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2ncc[nH]2)C1 ZINC001046309011 710859496 /nfs/dbraw/zinc/85/94/96/710859496.db2.gz NERVFADOPPDBRS-CYBMUJFWSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001046537092 710861639 /nfs/dbraw/zinc/86/16/39/710861639.db2.gz HAJCMBPFVIRSIQ-SFTQSGBHSA-N 1 0 248.326 0.093 20 30 BCEDRO CC#CC(=O)NCCCN1CCC[N@H+](C)CC1 ZINC000801156499 710866133 /nfs/dbraw/zinc/86/61/33/710866133.db2.gz UJXJVZIXIHSPNV-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO C#CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C(C)C)C1 ZINC001047306990 710870161 /nfs/dbraw/zinc/87/01/61/710870161.db2.gz WEMJNTAWMMSUNM-RYUDHWBXSA-N 1 0 238.331 0.169 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)CSC)C[C@H]2C1 ZINC001048668378 710884612 /nfs/dbraw/zinc/88/46/12/710884612.db2.gz FEKFGIAWZKITBX-PHIMTYICSA-N 1 0 238.356 0.373 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)C(C)(F)F)C[C@H]2C1 ZINC001048643916 710884624 /nfs/dbraw/zinc/88/46/24/710884624.db2.gz XWXKQXZQNBOGMH-AOOOYVTPSA-N 1 0 242.269 0.665 20 30 BCEDRO CC[N@H+]1C[C@H]2CN(C(=O)[C@@H](C)C#N)C[C@H]2C1 ZINC001048725787 710887426 /nfs/dbraw/zinc/88/74/26/710887426.db2.gz VYCMRGSPLYDSRC-GARJFASQSA-N 1 0 221.304 0.556 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3ncc[nH]3)C[C@H]2C1 ZINC001048807019 710888195 /nfs/dbraw/zinc/88/81/95/710888195.db2.gz MOKPDSUGAYZIOE-PHIMTYICSA-N 1 0 244.298 0.047 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)CC1 ZINC001052679382 710918816 /nfs/dbraw/zinc/91/88/16/710918816.db2.gz NKFNVOPXIVZXFO-SNVBAGLBSA-N 1 0 239.319 0.019 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H]1CN(C(=O)COC)C[C@@H]1C ZINC001054304200 710926103 /nfs/dbraw/zinc/92/61/03/710926103.db2.gz WPNOJHLUVPVLIX-WCBMZHEXSA-N 1 0 246.738 0.822 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccccn2)C[C@@H]1C ZINC001054326506 710929061 /nfs/dbraw/zinc/92/90/61/710929061.db2.gz PHISVUYGENBJNM-WCQYABFASA-N 1 0 243.310 0.765 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccncc2)C[C@@H]1C ZINC001054330265 710929467 /nfs/dbraw/zinc/92/94/67/710929467.db2.gz GOUBPQOKAIOVNJ-WCQYABFASA-N 1 0 243.310 0.765 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccco2)C[C@H]1C ZINC001054335622 710930681 /nfs/dbraw/zinc/93/06/81/710930681.db2.gz PUNBFPOKMFYMLN-GHMZBOCLSA-N 1 0 232.283 0.963 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)on2)C[C@H]1C ZINC001054360134 710931153 /nfs/dbraw/zinc/93/11/53/710931153.db2.gz BAKRZJBIKKHVEY-BXKDBHETSA-N 1 0 247.298 0.666 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cncs2)C[C@@H]1C ZINC001054453380 710935259 /nfs/dbraw/zinc/93/52/59/710935259.db2.gz AWONKZATPGRMQJ-VHSXEESVSA-N 1 0 249.339 0.826 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C2=COCCC2)C[C@@H]1C ZINC001054461834 710935287 /nfs/dbraw/zinc/93/52/87/710935287.db2.gz FTAYYUDGMHLOAA-AAEUAGOBSA-N 1 0 248.326 0.750 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2ccnn2C)C[C@@H]1C ZINC001054468302 710935980 /nfs/dbraw/zinc/93/59/80/710935980.db2.gz AVRVWNXWWWVDNW-QWRGUYRKSA-N 1 0 248.330 0.656 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@@H]1C ZINC001054488117 710936045 /nfs/dbraw/zinc/93/60/45/710936045.db2.gz OZNWNUSFVOMQFP-JOYOIKCWSA-N 1 0 248.330 0.954 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1C ZINC001054502576 710936072 /nfs/dbraw/zinc/93/60/72/710936072.db2.gz UHJIBFVRGHGQEE-CMPLNLGQSA-N 1 0 248.330 0.575 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cc2ccon2)C[C@@H]1C ZINC001054482324 710936429 /nfs/dbraw/zinc/93/64/29/710936429.db2.gz MAPVURYEGUACLH-CMPLNLGQSA-N 1 0 249.314 0.840 20 30 BCEDRO CC[NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@H]1C ZINC001054536087 710937386 /nfs/dbraw/zinc/93/73/86/710937386.db2.gz YQYNZTAXMMPRJV-SKDRFNHKSA-N 1 0 246.314 0.956 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C ZINC001054622542 710938982 /nfs/dbraw/zinc/93/89/82/710938982.db2.gz OWSYCXUGKYAGFA-MNOVXSKESA-N 1 0 240.347 0.770 20 30 BCEDRO CC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1C ZINC001054646724 710940321 /nfs/dbraw/zinc/94/03/21/710940321.db2.gz AKYWWSLQJHZMNV-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001054637127 710940482 /nfs/dbraw/zinc/94/04/82/710940482.db2.gz LZRQBRBTUVFSST-WCQYABFASA-N 1 0 230.311 0.470 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@H]1C ZINC001054919249 710942153 /nfs/dbraw/zinc/94/21/53/710942153.db2.gz IHFPQALNSGQCBD-BXKDBHETSA-N 1 0 249.289 0.837 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C ZINC001054954056 710942463 /nfs/dbraw/zinc/94/24/63/710942463.db2.gz NCVPETPGTGUFSM-SKDRFNHKSA-N 1 0 248.330 0.954 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000384133196 710989168 /nfs/dbraw/zinc/98/91/68/710989168.db2.gz CUXOMXWWRSZIEC-NEPJUHHUSA-N 1 0 221.304 0.636 20 30 BCEDRO C[C@H]1CN(CCOCCC#N)CC[N@@H+]1C ZINC000385248247 711008536 /nfs/dbraw/zinc/00/85/36/711008536.db2.gz RQVLTDKACZSDDE-NSHDSACASA-N 1 0 211.309 0.553 20 30 BCEDRO CO[C@@H](C)C[N@H+](C)CCOCCC#N ZINC000385239687 711009028 /nfs/dbraw/zinc/00/90/28/711009028.db2.gz PULOEGQRZODWKD-JTQLQIEISA-N 1 0 200.282 0.883 20 30 BCEDRO C=CCCOCCNC1=[NH+]CCCN1C ZINC000386080786 711022481 /nfs/dbraw/zinc/02/24/81/711022481.db2.gz GUCCMVJVKVTOPT-UHFFFAOYSA-N 1 0 211.309 0.860 20 30 BCEDRO C=CCONC[C@@H](O)C[N@@H+](C)C1CC1 ZINC000387211329 711041102 /nfs/dbraw/zinc/04/11/02/711041102.db2.gz QEXVXDURQAXBRT-SNVBAGLBSA-N 1 0 200.282 0.149 20 30 BCEDRO C=CCONC[C@H](O)C[N@@H+](C)C1CC1 ZINC000387211328 711041268 /nfs/dbraw/zinc/04/12/68/711041268.db2.gz QEXVXDURQAXBRT-JTQLQIEISA-N 1 0 200.282 0.149 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NCCC#N)[C@H]1CCCOC1 ZINC000388925666 711071139 /nfs/dbraw/zinc/07/11/39/711071139.db2.gz BBXRYKWBHRABHI-MNOVXSKESA-N 1 0 239.319 0.421 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCCOC1)[C@H]1CCCO1 ZINC000389601821 711082809 /nfs/dbraw/zinc/08/28/09/711082809.db2.gz VCSLZQHCMILSND-SDDRHHMPSA-N 1 0 209.289 0.936 20 30 BCEDRO C#CCOCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000389608561 711083130 /nfs/dbraw/zinc/08/31/30/711083130.db2.gz ZTDKNYPNPDWJQG-JTQLQIEISA-N 1 0 207.277 0.721 20 30 BCEDRO Cn1ncc(CNCC#Cc2ccccc2)n1 ZINC000389842263 711092744 /nfs/dbraw/zinc/09/27/44/711092744.db2.gz XXDHGURYVCZGKS-UHFFFAOYSA-N 1 0 226.283 0.956 20 30 BCEDRO C#CCCC[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000389862592 711093503 /nfs/dbraw/zinc/09/35/03/711093503.db2.gz FFNRGBFQUQCSBQ-MNOVXSKESA-N 1 0 208.305 0.904 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@H]1CCSC1 ZINC000389905750 711097280 /nfs/dbraw/zinc/09/72/80/711097280.db2.gz GWFDTRGXTSASFL-SNVBAGLBSA-N 1 0 249.401 0.930 20 30 BCEDRO C#C[C@@H]([NH2+]CCN1CCCC1)[C@H]1CCCO1 ZINC000390369985 711114107 /nfs/dbraw/zinc/11/41/07/711114107.db2.gz VKFGSWKHDCUCGI-CHWSQXEVSA-N 1 0 222.332 0.853 20 30 BCEDRO C#C[C@@H]([NH2+]CCN1CCCC1)[C@@H]1CCCO1 ZINC000390369986 711114223 /nfs/dbraw/zinc/11/42/23/711114223.db2.gz VKFGSWKHDCUCGI-OLZOCXBDSA-N 1 0 222.332 0.853 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](C)CCOC ZINC000392899527 711153134 /nfs/dbraw/zinc/15/31/34/711153134.db2.gz OZYNHMYAKBUXFD-LBPRGKRZSA-N 1 0 212.337 0.956 20 30 BCEDRO C#CC[N@H+]1CC[C@@]2(C1)CN(C(C)=O)C[C@@H](C)O2 ZINC001071107823 711167157 /nfs/dbraw/zinc/16/71/57/711167157.db2.gz ONXRJDUFZYRAMF-DGCLKSJQSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CC[N@H+]1C[C@H](NC(=O)C2CC2)CC[C@H]1C ZINC001071291880 711186056 /nfs/dbraw/zinc/18/60/56/711186056.db2.gz QMNINTBETWAGFZ-ZYHUDNBSSA-N 1 0 220.316 0.999 20 30 BCEDRO C=C(C)C[N@H+]1C[C@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071788707 711202006 /nfs/dbraw/zinc/20/20/06/711202006.db2.gz JGZDMLQLGFAUQA-NXEZZACHSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CCSCC[NH2+]Cc1ccnc(OC)n1 ZINC000395121359 711202176 /nfs/dbraw/zinc/20/21/76/711202176.db2.gz KQIUPNFABAFKIH-UHFFFAOYSA-N 1 0 237.328 0.941 20 30 BCEDRO CCNC(N[C@H](C)C[S@@](C)=O)=[NH+]CC ZINC000395529225 711211192 /nfs/dbraw/zinc/21/11/92/711211192.db2.gz FFTGWCNSDPWEAS-XLKFXECMSA-N 1 0 219.354 0.328 20 30 BCEDRO CCNC(NCCC(=O)NC(C)(C)C)=[NH+]CC ZINC000395528674 711212041 /nfs/dbraw/zinc/21/20/41/711212041.db2.gz DYKHTRWALUMREZ-UHFFFAOYSA-N 1 0 242.367 0.866 20 30 BCEDRO C#CCCCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000395716088 711215775 /nfs/dbraw/zinc/21/57/75/711215775.db2.gz GNFJKGSRCBLKOM-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO CCN/C(=[NH+]/CC)N1CCCN(C(C)=O)CC1 ZINC000395987740 711218386 /nfs/dbraw/zinc/21/83/86/711218386.db2.gz UOSQTYJZCGEWHZ-UHFFFAOYSA-N 1 0 240.351 0.526 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCCOC(F)F)N1 ZINC000398260179 711405660 /nfs/dbraw/zinc/40/56/60/711405660.db2.gz OHKYKYOXBFDORU-LURJTMIESA-N 1 0 207.224 0.553 20 30 BCEDRO C=CC[N@@H+]1CCC2(CN(C(=O)c3cn[nH]n3)C2)C1 ZINC001072888747 711414395 /nfs/dbraw/zinc/41/43/95/711414395.db2.gz XYGZSMGGKABTBA-UHFFFAOYSA-N 1 0 247.302 0.139 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399144770 711421483 /nfs/dbraw/zinc/42/14/83/711421483.db2.gz WLSMJOJQJNCOON-QMMMGPOBSA-N 1 0 202.685 0.983 20 30 BCEDRO CCOC(=O)CC[N@H+](C)CCO[C@H](C)C#N ZINC000380797283 710591176 /nfs/dbraw/zinc/59/11/76/710591176.db2.gz JWYIOSZUOORSLX-SNVBAGLBSA-N 1 0 228.292 0.800 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CC2)C[C@@H]1C ZINC000381257152 710613387 /nfs/dbraw/zinc/61/33/87/710613387.db2.gz QYKZXBXLWHEAOU-JQWIXIFHSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCN1CC[C@H]1CNC(=O)c1cnc(C)n1C ZINC001038634180 710617560 /nfs/dbraw/zinc/61/75/60/710617560.db2.gz KVOBBFBKSRIQGN-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001020003600 710673307 /nfs/dbraw/zinc/67/33/07/710673307.db2.gz LGAOTMRKFBFBRU-IJLUTSLNSA-N 1 0 236.315 0.426 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C)nc2)C1 ZINC001019991325 710673456 /nfs/dbraw/zinc/67/34/56/710673456.db2.gz RVQQQZUAJVDCDD-JOCQHMNTSA-N 1 0 243.310 0.874 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC001019796285 710673518 /nfs/dbraw/zinc/67/35/18/710673518.db2.gz HFNBGABFFPANQB-LBPRGKRZSA-N 1 0 233.315 0.934 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001038521864 710692803 /nfs/dbraw/zinc/69/28/03/710692803.db2.gz ONPOLPTWIMGHFI-LLVKDONJSA-N 1 0 249.289 0.981 20 30 BCEDRO C#CC[NH+]1CCC(C)(NC(=O)c2cn[nH]n2)CC1 ZINC001045489761 710839236 /nfs/dbraw/zinc/83/92/36/710839236.db2.gz KRKYQJREISLVDX-UHFFFAOYSA-N 1 0 247.302 0.022 20 30 BCEDRO C=CC[NH+]1CCC(C)(NC(=O)c2nnc[nH]2)CC1 ZINC001045592137 710839445 /nfs/dbraw/zinc/83/94/45/710839445.db2.gz PSQVUNYOXAEUCC-UHFFFAOYSA-N 1 0 249.318 0.575 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001045992505 710843537 /nfs/dbraw/zinc/84/35/37/710843537.db2.gz MVRVZRUVRMJRCP-ZDUSSCGKSA-N 1 0 237.347 0.411 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N2CCN(C(C)=O)CC2)C1 ZINC001045991410 710843870 /nfs/dbraw/zinc/84/38/70/710843870.db2.gz ZAVXRBKHQXKQCG-AWEZNQCLSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CCC[N@H+]1CC[C@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046161404 710852527 /nfs/dbraw/zinc/85/25/27/710852527.db2.gz XSDZHNDWVKEZPL-ZDUSSCGKSA-N 1 0 246.314 0.627 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)C(N)=O)CC1 ZINC001052673015 710917653 /nfs/dbraw/zinc/91/76/53/710917653.db2.gz WYHZVKXMVYKNCV-JTQLQIEISA-N 1 0 239.319 0.019 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)c2nnc[nH]2)CC1 ZINC001052801094 710917852 /nfs/dbraw/zinc/91/78/52/710917852.db2.gz RFUBWYIAPOMOET-SNVBAGLBSA-N 1 0 247.302 0.022 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1CN(C(=O)COC)C[C@H]1C ZINC001054304199 710926371 /nfs/dbraw/zinc/92/63/71/710926371.db2.gz WPNOJHLUVPVLIX-SCZZXKLOSA-N 1 0 246.738 0.822 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)Cn2cccn2)C[C@H]1C ZINC001054385601 710932880 /nfs/dbraw/zinc/93/28/80/710932880.db2.gz MMTRBXYMBQUSHG-NEPJUHHUSA-N 1 0 248.330 0.506 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn[nH]c2)C[C@H]1C ZINC001054440815 710934745 /nfs/dbraw/zinc/93/47/45/710934745.db2.gz SWEZIUABOKVJGB-KOLCDFICSA-N 1 0 232.287 0.093 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccns2)C[C@@H]1C ZINC001054708612 710941298 /nfs/dbraw/zinc/94/12/98/710941298.db2.gz FFPICWUXYJEYAD-VHSXEESVSA-N 1 0 249.339 0.826 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccsn2)C[C@H]1C ZINC001054787568 710941321 /nfs/dbraw/zinc/94/13/21/710941321.db2.gz VOLQPPKBTPQWSQ-MWLCHTKSSA-N 1 0 249.339 0.826 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccns2)C[C@H]1C ZINC001054708616 710941354 /nfs/dbraw/zinc/94/13/54/710941354.db2.gz FFPICWUXYJEYAD-ZJUUUORDSA-N 1 0 249.339 0.826 20 30 BCEDRO C#CC[NH+]1CCC2(CN(C(=O)C3CC3)C2)CC1 ZINC001050398235 710951790 /nfs/dbraw/zinc/95/17/90/710951790.db2.gz NXKBWCPYYWLBSH-UHFFFAOYSA-N 1 0 232.327 0.954 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C)[C@H]1CC ZINC000383610479 710984324 /nfs/dbraw/zinc/98/43/24/710984324.db2.gz MXIHZDFIAUQHDQ-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO CN1CCC[NH+]=C1NCCCCn1ccnc1 ZINC000386551957 711033163 /nfs/dbraw/zinc/03/31/63/711033163.db2.gz HBQWIWKXZZWMNI-UHFFFAOYSA-N 1 0 235.335 0.944 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)C(C)(F)F)C2)C1 ZINC001072391387 711367242 /nfs/dbraw/zinc/36/72/42/711367242.db2.gz FTZFEBJBMOAXDD-UHFFFAOYSA-N 1 0 242.269 0.809 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CCCO3)C2)C1 ZINC001072440310 711372613 /nfs/dbraw/zinc/37/26/13/711372613.db2.gz ZYOKXJKALDLQGP-GFCCVEGCSA-N 1 0 248.326 0.333 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)C(C)C)C2)C1 ZINC001072485987 711377148 /nfs/dbraw/zinc/37/71/48/711377148.db2.gz NDXMPNPMNSZGFF-UHFFFAOYSA-N 1 0 220.316 0.810 20 30 BCEDRO CC[N@@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072551728 711381305 /nfs/dbraw/zinc/38/13/05/711381305.db2.gz JCOYJBXAMIFEPD-JTQLQIEISA-N 1 0 221.304 0.700 20 30 BCEDRO C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072558783 711381920 /nfs/dbraw/zinc/38/19/20/711381920.db2.gz BJUUUKSOONLZPM-NSHDSACASA-N 1 0 233.315 0.866 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C ZINC001074567959 711443488 /nfs/dbraw/zinc/44/34/88/711443488.db2.gz DUVVXXCWRPNSNP-DCAQKATOSA-N 1 0 221.304 0.911 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2csnn2)C1 ZINC001020443275 711454535 /nfs/dbraw/zinc/45/45/35/711454535.db2.gz NIJSYNNZYSHCOW-ZKCHVHJHSA-N 1 0 236.300 0.022 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNc1cnc(C#N)cn1 ZINC000712571289 711473332 /nfs/dbraw/zinc/47/33/32/711473332.db2.gz WKJHZGMUANUJAX-SECBINFHSA-N 1 0 203.249 0.464 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2nc(C)c[nH]2)C1 ZINC000970560704 711479128 /nfs/dbraw/zinc/47/91/28/711479128.db2.gz PPEISSIMIWXKBG-SNVBAGLBSA-N 1 0 248.330 0.954 20 30 BCEDRO CNC(NCCC(=O)NC(C)(C)C)=[NH+]C ZINC000386165013 711492837 /nfs/dbraw/zinc/49/28/37/711492837.db2.gz VMVRWIRBSUNVPX-UHFFFAOYSA-N 1 0 214.313 0.086 20 30 BCEDRO CCC(CC)(CNC(NC)=[NH+]C)OC ZINC000386291561 711504924 /nfs/dbraw/zinc/50/49/24/711504924.db2.gz PQWMUEKSJVMKJF-UHFFFAOYSA-N 1 0 201.314 0.986 20 30 BCEDRO CC#CC[NH2+][C@H]1C(=O)NCC1(CC)CC ZINC000933286815 711511135 /nfs/dbraw/zinc/51/11/35/711511135.db2.gz FBSLJPUIAKMBCK-JTQLQIEISA-N 1 0 208.305 0.904 20 30 BCEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cnn(C)c1 ZINC001038040429 711565519 /nfs/dbraw/zinc/56/55/19/711565519.db2.gz AKHXHQBMLQDDJG-LBPRGKRZSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CCOCC[NH2+][C@H](C(N)=O)[C@@H](C)CC ZINC000382393917 711586582 /nfs/dbraw/zinc/58/65/82/711586582.db2.gz XJWUTGBXGYOTLR-UWVGGRQHSA-N 1 0 214.309 0.679 20 30 BCEDRO CCNC(NC[C@H]1C[C@@H]2COC[C@@H]2O1)=[NH+]CC ZINC000724541119 711587198 /nfs/dbraw/zinc/58/71/98/711587198.db2.gz IZIHTYPOYGLRSP-MXWKQRLJSA-N 1 0 241.335 0.365 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)Cc1cncc(C#N)c1 ZINC000721539701 711620607 /nfs/dbraw/zinc/62/06/07/711620607.db2.gz CBZKIGBZKOWAQN-SNVBAGLBSA-N 1 0 235.287 0.128 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001006881798 711655757 /nfs/dbraw/zinc/65/57/57/711655757.db2.gz NQBORKCSDBOWMG-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C[C@@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC#N ZINC000334954364 711719291 /nfs/dbraw/zinc/71/92/91/711719291.db2.gz WOJXVVRRELSYQV-NXEZZACHSA-N 1 0 224.308 0.811 20 30 BCEDRO C[C@H](CC(C)(C)C#N)[NH2+]C1(C(N)=O)CC1 ZINC000893554556 711735919 /nfs/dbraw/zinc/73/59/19/711735919.db2.gz XOFAUFAMIMFCCY-MRVPVSSYSA-N 1 0 209.293 0.922 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)c2cn[nH]c2)CC1 ZINC000980755441 711748039 /nfs/dbraw/zinc/74/80/39/711748039.db2.gz FDCIRHBIWNLNNH-UHFFFAOYSA-N 1 0 246.314 0.581 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@H](C)[C@@H](C)[C@@H]1C ZINC000399532172 711751706 /nfs/dbraw/zinc/75/17/06/711751706.db2.gz SQKOEKFJDAKSCC-AXFHLTTASA-N 1 0 208.305 0.712 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cncn2C)[C@H]1C ZINC000986495049 711788497 /nfs/dbraw/zinc/78/84/97/711788497.db2.gz JXAUYSBSGNHAKW-QWRGUYRKSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cccnc2)C1 ZINC000987804353 711792308 /nfs/dbraw/zinc/79/23/08/711792308.db2.gz UYVHAHZPDDWANS-WCQYABFASA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc[nH]n2)C1 ZINC000988165166 711792995 /nfs/dbraw/zinc/79/29/95/711792995.db2.gz JMWZDLFSMXFFMJ-ZJUUUORDSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccnn2C)C1 ZINC000988338351 711793626 /nfs/dbraw/zinc/79/36/26/711793626.db2.gz TVHMQQAPQKAPCY-GHMZBOCLSA-N 1 0 246.314 0.246 20 30 BCEDRO CCOC1CC2(C[C@@H]2NC(NC)=[NH+]C)C1 ZINC000721250132 711794851 /nfs/dbraw/zinc/79/48/51/711794851.db2.gz NNENADAIJGQVTD-YUCVTWSNSA-N 1 0 211.309 0.739 20 30 BCEDRO C#CC[N@H+](C)CCCN1C(=O)NC2(CCC2)C1=O ZINC000925312800 711798051 /nfs/dbraw/zinc/79/80/51/711798051.db2.gz JWKPKKOMENFDMW-UHFFFAOYSA-N 1 0 249.314 0.416 20 30 BCEDRO CC#CCN1CC[C@@H]1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC001038119345 711801442 /nfs/dbraw/zinc/80/14/42/711801442.db2.gz VVDGMGNQHBTILJ-CHWSQXEVSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCC(CC#C)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000898604491 711802048 /nfs/dbraw/zinc/80/20/48/711802048.db2.gz ZWYQKKLSCUZHJR-UHFFFAOYSA-N 1 0 244.338 0.956 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H]3CC34CC4)[C@@H]2C1 ZINC001076287215 711804737 /nfs/dbraw/zinc/80/47/37/711804737.db2.gz JSYGYGBMQHFCFN-RWMBFGLXSA-N 1 0 244.338 0.952 20 30 BCEDRO N#CCCC[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905202785 711812653 /nfs/dbraw/zinc/81/26/53/711812653.db2.gz IMTSDOIYELTFBX-NSHDSACASA-N 1 0 226.320 0.936 20 30 BCEDRO Cc1cn(C)nc1C(=O)NCC#CC[NH+](C)C ZINC000913523103 711823143 /nfs/dbraw/zinc/82/31/43/711823143.db2.gz MDSLBLVKXVXOIJ-UHFFFAOYSA-N 1 0 234.303 0.023 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1(F)CCOCC1 ZINC000913525223 711823518 /nfs/dbraw/zinc/82/35/18/711823518.db2.gz OHSPWBULJOTUPG-UHFFFAOYSA-N 1 0 242.294 0.186 20 30 BCEDRO Cc1cc(C(=O)NCC#CC[NH+](C)C)no1 ZINC000913515234 711823542 /nfs/dbraw/zinc/82/35/42/711823542.db2.gz NZLDEKAISDJOKX-UHFFFAOYSA-N 1 0 221.260 0.278 20 30 BCEDRO Cc1noc(C)c1CC(=O)NCC#CC[NH+](C)C ZINC000913515208 711823548 /nfs/dbraw/zinc/82/35/48/711823548.db2.gz NGCNHPNOQJHXFW-UHFFFAOYSA-N 1 0 249.314 0.515 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000913524434 711823603 /nfs/dbraw/zinc/82/36/03/711823603.db2.gz MOYSEBQTDVMPPS-GDNZZTSVSA-N 1 0 220.316 0.714 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@H]1C[C@@]12CCOC2 ZINC000913521043 711823900 /nfs/dbraw/zinc/82/39/00/711823900.db2.gz JEBVDNMDLWLEEN-DGCLKSJQSA-N 1 0 236.315 0.094 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1csc(=O)[nH]1 ZINC000913521022 711823959 /nfs/dbraw/zinc/82/39/59/711823959.db2.gz IILKCQQADKRDER-UHFFFAOYSA-N 1 0 239.300 0.144 20 30 BCEDRO CC(C)[C@H]1C[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913521091 711823973 /nfs/dbraw/zinc/82/39/73/711823973.db2.gz KPKROJNBTXQKSL-NEPJUHHUSA-N 1 0 222.332 0.960 20 30 BCEDRO CO[C@@H](C(=O)NCC#CC[NH+](C)C)C(C)C ZINC000913521033 711824064 /nfs/dbraw/zinc/82/40/64/711824064.db2.gz IUPASTJYGZGSTF-LLVKDONJSA-N 1 0 226.320 0.339 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1(CCF)CC1 ZINC000913522468 711824171 /nfs/dbraw/zinc/82/41/71/711824171.db2.gz KQTUBCUPUWUZRQ-UHFFFAOYSA-N 1 0 226.295 0.807 20 30 BCEDRO C=CCN1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030155932 711827169 /nfs/dbraw/zinc/82/71/69/711827169.db2.gz RQBNXEBKPDRGAG-LLVKDONJSA-N 1 0 223.320 0.067 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1c[nH]nc1C ZINC001038581745 711876417 /nfs/dbraw/zinc/87/64/17/711876417.db2.gz UISHRPBGLXFHPP-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2ccn(CC)n2)C1 ZINC001015792384 711879201 /nfs/dbraw/zinc/87/92/01/711879201.db2.gz WDJBIOGTADLIKP-NSHDSACASA-N 1 0 248.330 0.893 20 30 BCEDRO C=C(C)CC[NH+]1CC(CNC(=O)c2nnc[nH]2)C1 ZINC001032058310 711901638 /nfs/dbraw/zinc/90/16/38/711901638.db2.gz SCGMZOKMVCDGEB-UHFFFAOYSA-N 1 0 249.318 0.433 20 30 BCEDRO N#Cc1cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000085283637 711932219 /nfs/dbraw/zinc/93/22/19/711932219.db2.gz OWZIWVDNYQTCGF-UWVGGRQHSA-N 1 0 214.272 0.609 20 30 BCEDRO C#CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)(C)C)C1 ZINC001078053495 711939398 /nfs/dbraw/zinc/93/93/98/711939398.db2.gz HJJNCNBHLWGMRF-GHMZBOCLSA-N 1 0 238.331 0.217 20 30 BCEDRO CC[NH2+]C[C@H]1CN(C(=O)[C@@H](C)C#N)CCCO1 ZINC001078357897 711941536 /nfs/dbraw/zinc/94/15/36/711941536.db2.gz DKSMOSIUHYHMNT-QWRGUYRKSA-N 1 0 239.319 0.373 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(F)F)C12CCC2 ZINC001078521174 711943037 /nfs/dbraw/zinc/94/30/37/711943037.db2.gz LXLPLHYUDPVRQE-DTWKUNHWSA-N 1 0 242.269 0.902 20 30 BCEDRO CC1(C)CC(=O)NCC[N@@H+]1CCCC#N ZINC000708098628 711950511 /nfs/dbraw/zinc/95/05/11/711950511.db2.gz AKPNBHRJGUYWOD-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCCC#N ZINC000359042572 711956350 /nfs/dbraw/zinc/95/63/50/711956350.db2.gz MSJFJYPQQXBQIB-JTQLQIEISA-N 1 0 226.324 0.928 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001032932188 711968755 /nfs/dbraw/zinc/96/87/55/711968755.db2.gz PRXLTZOXLMOADK-GFCCVEGCSA-N 1 0 246.314 0.579 20 30 BCEDRO C#CCN1CC[C@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032945232 711968961 /nfs/dbraw/zinc/96/89/61/711968961.db2.gz OTRWRORIHXWSRQ-QWHCGFSZSA-N 1 0 249.358 0.247 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001032979454 711970211 /nfs/dbraw/zinc/97/02/11/711970211.db2.gz CZILVNBWOPFTIQ-LBPRGKRZSA-N 1 0 246.314 0.118 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2cnco2)C1 ZINC001033310289 711981944 /nfs/dbraw/zinc/98/19/44/711981944.db2.gz UYODDGULOVKKJE-LLVKDONJSA-N 1 0 247.298 0.844 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001033355849 711987281 /nfs/dbraw/zinc/98/72/81/711987281.db2.gz GMOBGNOKYLEVQG-LBPRGKRZSA-N 1 0 247.298 0.383 20 30 BCEDRO C#CCN1CC[C@@H](N(C)C(=O)c2nccs2)C1 ZINC001033523145 712001203 /nfs/dbraw/zinc/00/12/03/712001203.db2.gz XCJLMBAUPREBTE-SNVBAGLBSA-N 1 0 249.339 0.923 20 30 BCEDRO CC#CC[N@H+]1CC[C@@H](N(CC)C(C)=O)C1 ZINC001033722937 712014498 /nfs/dbraw/zinc/01/44/98/712014498.db2.gz NETGXIDHQRXRIN-GFCCVEGCSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCN1CCCC[C@H](NC(=O)C(F)F)C1 ZINC001034062228 712038037 /nfs/dbraw/zinc/03/80/37/712038037.db2.gz FUKDXYNBTLUHTD-VIFPVBQESA-N 1 0 230.258 0.855 20 30 BCEDRO CC(C)(C#N)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000702294668 712043314 /nfs/dbraw/zinc/04/33/14/712043314.db2.gz CXUPWIAVLWLSAM-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO C#CCC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000702236836 712043375 /nfs/dbraw/zinc/04/33/75/712043375.db2.gz DWYNVCNAPZUDQD-TXEJJXNPSA-N 1 0 211.305 0.323 20 30 BCEDRO C[N@@H+]1C[C@@H]2CN(c3nccnc3C#N)C[C@]2(C)C1 ZINC000702406028 712050645 /nfs/dbraw/zinc/05/06/45/712050645.db2.gz WGQLFKOZRFZTHJ-MFKMUULPSA-N 1 0 243.314 0.736 20 30 BCEDRO C[N@@H+]1C[C@@H]2CN(c3ncncc3C#N)C[C@]2(C)C1 ZINC000702405392 712050915 /nfs/dbraw/zinc/05/09/15/712050915.db2.gz PBUJSUGNASAVQW-YPMHNXCESA-N 1 0 243.314 0.736 20 30 BCEDRO C[N@@H+]1C[C@@H]2CN(C(=O)CC#N)C[C@]2(C)C1 ZINC000702473620 712054677 /nfs/dbraw/zinc/05/46/77/712054677.db2.gz NIGPDERETVXHCI-KOLCDFICSA-N 1 0 207.277 0.310 20 30 BCEDRO C=CC[N@@H+]1CCCC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001034444483 712062673 /nfs/dbraw/zinc/06/26/73/712062673.db2.gz QKXGFVCMRNJKNT-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO C[C@@H](CC(C)(C)C#N)[NH2+]C[C@]1(O)CCN(C)C1 ZINC000705374009 712130935 /nfs/dbraw/zinc/13/09/35/712130935.db2.gz FXMDJBDOMOPKJS-WCQYABFASA-N 1 0 239.363 0.971 20 30 BCEDRO C#CCNC(=O)[C@H]([NH3+])[C@H](C)OCc1ccccc1 ZINC000705978616 712139534 /nfs/dbraw/zinc/13/95/34/712139534.db2.gz GUMUZWVIAPVUSR-WCQYABFASA-N 1 0 246.310 0.668 20 30 BCEDRO C#CC[NH+]1CC2(C1)CCN(C(=O)[C@H](C)C#N)CC2 ZINC001035673076 712140087 /nfs/dbraw/zinc/14/00/87/712140087.db2.gz LWBJWMVQKBKCPR-GFCCVEGCSA-N 1 0 245.326 0.704 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(F)F)C[C@H]1C ZINC001035880030 712146697 /nfs/dbraw/zinc/14/66/97/712146697.db2.gz XWLMWJJMAMABRU-RKDXNWHRSA-N 1 0 230.258 0.711 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cocn2)C[C@H]1C ZINC001035958271 712151984 /nfs/dbraw/zinc/15/19/84/712151984.db2.gz ASIIVQYOTYIJEP-MNOVXSKESA-N 1 0 247.298 0.748 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001036086523 712155888 /nfs/dbraw/zinc/15/58/88/712155888.db2.gz APLQPVHPNSVJLX-ZJUUUORDSA-N 1 0 249.318 0.431 20 30 BCEDRO O[C@@H]1COCC[C@H]1[NH2+]CC#Cc1ccccc1 ZINC000706968354 712160394 /nfs/dbraw/zinc/16/03/94/712160394.db2.gz HQUKUBQUDZWTOY-ZIAGYGMSSA-N 1 0 231.295 0.778 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@H](C)C[NH2+]C ZINC000707293565 712169551 /nfs/dbraw/zinc/16/95/51/712169551.db2.gz BKPWXGKSQPHNRE-SNVBAGLBSA-N 1 0 242.319 0.420 20 30 BCEDRO C#CC1(O)CC[NH+](CC(=O)N(C)C2CC2)CC1 ZINC000708136589 712182616 /nfs/dbraw/zinc/18/26/16/712182616.db2.gz IJDALYCZMYKRHR-UHFFFAOYSA-N 1 0 236.315 0.067 20 30 BCEDRO C=CCCCN1CCC[C@H]([NH2+]CCO)C1 ZINC000708561288 712212702 /nfs/dbraw/zinc/21/27/02/712212702.db2.gz CERPHNURUUZLDY-LBPRGKRZSA-N 1 0 212.337 0.999 20 30 BCEDRO C#CCCCS(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000710048793 712243624 /nfs/dbraw/zinc/24/36/24/712243624.db2.gz CSXZTSBQASCUSL-JTQLQIEISA-N 1 0 232.349 0.269 20 30 BCEDRO C#CCCCS(=O)(=O)Nc1cc[nH+]c(C)c1 ZINC000710104792 712245152 /nfs/dbraw/zinc/24/51/52/712245152.db2.gz OXTFGDZYRJAIPQ-UHFFFAOYSA-N 1 0 238.312 0.967 20 30 BCEDRO C#CCCCS(=O)(=O)NC1CC[NH+](C)CC1 ZINC000710205559 712248526 /nfs/dbraw/zinc/24/85/26/712248526.db2.gz RIURAAJNTDKUQA-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CCCS(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000710959389 712268228 /nfs/dbraw/zinc/26/82/28/712268228.db2.gz WZBFXWZFTRYHMO-UHFFFAOYSA-N 1 0 232.349 0.269 20 30 BCEDRO C#CCCS(=O)(=O)N[C@H]1CCCN(C)C1 ZINC000710959142 712268454 /nfs/dbraw/zinc/26/84/54/712268454.db2.gz TVBGCMCPJRHJQF-JTQLQIEISA-N 1 0 230.333 0.023 20 30 BCEDRO C#CCCS(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000711016451 712275201 /nfs/dbraw/zinc/27/52/01/712275201.db2.gz OQFKZMKPKBHZTI-UHFFFAOYSA-N 1 0 230.333 0.023 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000923217509 712305877 /nfs/dbraw/zinc/30/58/77/712305877.db2.gz DTJKOYBFFOGXEA-SNVBAGLBSA-N 1 0 246.314 0.969 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001079392349 712347764 /nfs/dbraw/zinc/34/77/64/712347764.db2.gz YQVPVPFGXGQSPF-IJLUTSLNSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC2)C1 ZINC001079337295 712348357 /nfs/dbraw/zinc/34/83/57/712348357.db2.gz UNHVKIKSKXFJQP-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001079451398 712348808 /nfs/dbraw/zinc/34/88/08/712348808.db2.gz AIQSKNZOQGFGDH-ZYHUDNBSSA-N 1 0 246.314 0.483 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001079453241 712349030 /nfs/dbraw/zinc/34/90/30/712349030.db2.gz FSDMGDCPIGOJJZ-ZYHUDNBSSA-N 1 0 246.314 0.483 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001079569007 712349789 /nfs/dbraw/zinc/34/97/89/712349789.db2.gz UDGZUWZOFLLUHY-GHMZBOCLSA-N 1 0 248.330 0.656 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001080017711 712351429 /nfs/dbraw/zinc/35/14/29/712351429.db2.gz SWXOLOUECNAYKO-PSASIEDQSA-N 1 0 235.291 0.041 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000379573805 712388658 /nfs/dbraw/zinc/38/86/58/712388658.db2.gz JGIXTFMGBDYHMV-DTWKUNHWSA-N 1 0 212.318 0.077 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNc1cncc(C#N)n1 ZINC000712592521 712435303 /nfs/dbraw/zinc/43/53/03/712435303.db2.gz STJPORMNXIMXCP-SECBINFHSA-N 1 0 203.249 0.464 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNc1cc(C#N)cnn1 ZINC000712593264 712435606 /nfs/dbraw/zinc/43/56/06/712435606.db2.gz XWIWPECVVMUYPW-JTQLQIEISA-N 1 0 217.276 0.854 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@]12C[C@@H]1C[C@@H]([NH3+])C2 ZINC000713051812 712451785 /nfs/dbraw/zinc/45/17/85/712451785.db2.gz ISOWXRQKIHEJEN-QXFUBDJGSA-N 1 0 214.696 0.983 20 30 BCEDRO C[NH+](C)C[C@@]1(O)CCN(c2ccc(C#N)cn2)C1 ZINC000713651427 712468168 /nfs/dbraw/zinc/46/81/68/712468168.db2.gz VZSCHHHGOVWKSQ-ZDUSSCGKSA-N 1 0 246.314 0.456 20 30 BCEDRO C[NH+](C)C[C@]1(O)CCN(c2cccc(C#N)n2)C1 ZINC000713651461 712468276 /nfs/dbraw/zinc/46/82/76/712468276.db2.gz XCDUVZIQCWHVGM-CYBMUJFWSA-N 1 0 246.314 0.456 20 30 BCEDRO C[NH+](C)C[C@]1(O)CCN(c2ccc(C#N)cn2)C1 ZINC000713651426 712468510 /nfs/dbraw/zinc/46/85/10/712468510.db2.gz VZSCHHHGOVWKSQ-CYBMUJFWSA-N 1 0 246.314 0.456 20 30 BCEDRO C[NH+](C)C[C@]1(O)CCN(c2ccncc2C#N)C1 ZINC000713721148 712470151 /nfs/dbraw/zinc/47/01/51/712470151.db2.gz TYOHBGBUXJLVFU-CYBMUJFWSA-N 1 0 246.314 0.456 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1cn(CC)nn1 ZINC000714928190 712500680 /nfs/dbraw/zinc/50/06/80/712500680.db2.gz NIMHZMIRZFDLNO-JTQLQIEISA-N 1 0 224.308 0.715 20 30 BCEDRO CS(=O)(=O)C1CC([NH2+]CCCCC#N)C1 ZINC000715222440 712513859 /nfs/dbraw/zinc/51/38/59/712513859.db2.gz UOEULAITYODJOE-UHFFFAOYSA-N 1 0 230.333 0.845 20 30 BCEDRO N#CC1(NC(=O)C23CC[NH+](CC2)C3)CCC1 ZINC000715840807 712532980 /nfs/dbraw/zinc/53/29/80/712532980.db2.gz COBTVRNEZJZRLX-UHFFFAOYSA-N 1 0 219.288 0.645 20 30 BCEDRO CC[C@@H](C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000715840918 712532991 /nfs/dbraw/zinc/53/29/91/712532991.db2.gz DPDYVAYACLRQPL-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000715865527 712537943 /nfs/dbraw/zinc/53/79/43/712537943.db2.gz RJVAHCMJTNAYFH-JTQLQIEISA-N 1 0 224.304 0.135 20 30 BCEDRO C#CCSCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716092411 712550164 /nfs/dbraw/zinc/55/01/64/712550164.db2.gz PVTZFUXJHMTGCK-UHFFFAOYSA-N 1 0 247.385 0.518 20 30 BCEDRO C#CC[C@H](COC)NCc1cc(C)n(C)n1 ZINC000716386448 712557613 /nfs/dbraw/zinc/55/76/13/712557613.db2.gz AWGPRRYONXTABX-LLVKDONJSA-N 1 0 221.304 0.856 20 30 BCEDRO CCNC(NCc1cc(C)n[nH]1)=[NH+]CC ZINC000716737367 712571547 /nfs/dbraw/zinc/57/15/47/712571547.db2.gz HSGJESUDEAMZCU-UHFFFAOYSA-N 1 0 209.297 0.793 20 30 BCEDRO C#CC[C@@H](COC)NC[C@@H](O)C[NH+]1CCCC1 ZINC000716826614 712576734 /nfs/dbraw/zinc/57/67/34/712576734.db2.gz AJIVLBKHKWSJKI-QWHCGFSZSA-N 1 0 240.347 0.071 20 30 BCEDRO C#CC[C@@H](COC)NC[C@H](O)C[NH+]1CCCC1 ZINC000716826616 712577019 /nfs/dbraw/zinc/57/70/19/712577019.db2.gz AJIVLBKHKWSJKI-STQMWFEESA-N 1 0 240.347 0.071 20 30 BCEDRO CCOC(=O)[C@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000809571146 712584297 /nfs/dbraw/zinc/58/42/97/712584297.db2.gz YAFMNPZVJXEWJG-WDEREUQCSA-N 1 0 240.303 0.536 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000716950774 712599033 /nfs/dbraw/zinc/59/90/33/712599033.db2.gz XUDRLMFQSUJJER-CYBMUJFWSA-N 1 0 246.310 0.913 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@H]1CCCNC(=O)C1 ZINC000716956185 712600159 /nfs/dbraw/zinc/60/01/59/712600159.db2.gz GYBZKANPVAHCFN-QWRGUYRKSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)CC[NH2+]C(C)(C)C ZINC000717856215 712601247 /nfs/dbraw/zinc/60/12/47/712601247.db2.gz QYMWOAHWRLOKJX-LLVKDONJSA-N 1 0 240.347 0.655 20 30 BCEDRO COc1nccnc1N=NC1C[N@@H+]2C[C@@H]1CCC2 ZINC000863108030 712619436 /nfs/dbraw/zinc/61/94/36/712619436.db2.gz IHLLAGPIJNIVLJ-VIFPVBQESA-N 1 0 247.302 0.979 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]C[C@H](O)[C@H](C)O ZINC000717281086 712644263 /nfs/dbraw/zinc/64/42/63/712644263.db2.gz RZLMHOHINVFRMH-AAEUAGOBSA-N 1 0 249.310 0.530 20 30 BCEDRO C[C@H](O)[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000717296757 712645597 /nfs/dbraw/zinc/64/55/97/712645597.db2.gz OQMCDYATEDHAOE-JOYOIKCWSA-N 1 0 220.272 0.390 20 30 BCEDRO C#CC[N@@H+]1CCC[C@@H](Nc2ccnc(C#N)c2)C1 ZINC000884611644 712647813 /nfs/dbraw/zinc/64/78/13/712647813.db2.gz QQHFHXGXKGRKNB-CYBMUJFWSA-N 1 0 240.310 0.885 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000717378090 712652810 /nfs/dbraw/zinc/65/28/10/712652810.db2.gz XFGAMZSQTKDRFA-CWSCBRNRSA-N 1 0 234.299 0.951 20 30 BCEDRO C=CCC1(O)CC[NH+](C[C@H](O)COC)CC1 ZINC000717425710 712658127 /nfs/dbraw/zinc/65/81/27/712658127.db2.gz YFUPEMVONAVPCR-NSHDSACASA-N 1 0 229.320 0.397 20 30 BCEDRO C=CCC1(O)CC[NH+](CC(=O)N(C)C)CC1 ZINC000717424307 712658162 /nfs/dbraw/zinc/65/81/62/712658162.db2.gz ORHNAPCTEWDULI-UHFFFAOYSA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCC1(O)CC[NH+]([C@H]2CCNC2=O)CC1 ZINC000717495928 712659909 /nfs/dbraw/zinc/65/99/09/712659909.db2.gz TWCBAQJDBDLUFF-JTQLQIEISA-N 1 0 224.304 0.278 20 30 BCEDRO Cc1nccc(NCC#CC[NH+](C)C)n1 ZINC000717690936 712665118 /nfs/dbraw/zinc/66/51/18/712665118.db2.gz RJOGCQSIFSOCNC-UHFFFAOYSA-N 1 0 204.277 0.762 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnn2ccccc12 ZINC000717741248 712668391 /nfs/dbraw/zinc/66/83/91/712668391.db2.gz VQGLRKXUMMEBPV-GFCCVEGCSA-N 1 0 229.283 0.808 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cccc2c1OCO2 ZINC000717741785 712668471 /nfs/dbraw/zinc/66/84/71/712668471.db2.gz YRZLZONAZQXIHO-LLVKDONJSA-N 1 0 233.267 0.889 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)c1cnccn1 ZINC000717778188 712675705 /nfs/dbraw/zinc/67/57/05/712675705.db2.gz YLVBRBPCXBCHME-UWVGGRQHSA-N 1 0 205.261 0.511 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnn(CC)c1 ZINC000717785144 712676206 /nfs/dbraw/zinc/67/62/06/712676206.db2.gz BEBXPVBKZFDCFB-NSHDSACASA-N 1 0 207.277 0.377 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c(C)n[nH]c1C ZINC000717785700 712676878 /nfs/dbraw/zinc/67/68/78/712676878.db2.gz DYABILBYFONYIC-JTQLQIEISA-N 1 0 207.277 0.500 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCOC[C@@H]1C ZINC000717795937 712677978 /nfs/dbraw/zinc/67/79/78/712677978.db2.gz WJMOAEXZEKABNT-TUAOUCFPSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000717794212 712678327 /nfs/dbraw/zinc/67/83/27/712678327.db2.gz NFMQVGMFHZGSNF-UTUOFQBUSA-N 1 0 211.305 0.918 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]CC1(O)CCCC1 ZINC000717885655 712731353 /nfs/dbraw/zinc/73/13/53/712731353.db2.gz CYIWPDIPBNVSKP-LLVKDONJSA-N 1 0 211.305 0.655 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000717901404 712732386 /nfs/dbraw/zinc/73/23/86/712732386.db2.gz VTXZRQUQGRFOKG-RKDXNWHRSA-N 1 0 239.237 0.664 20 30 BCEDRO CCCOCC(=O)NCC#CC[NH+](C)C ZINC000717958031 712735330 /nfs/dbraw/zinc/73/53/30/712735330.db2.gz GLDIRCPBXOPENE-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccco1 ZINC000717958015 712735475 /nfs/dbraw/zinc/73/54/75/712735475.db2.gz FQAMBDASPGHYAS-UHFFFAOYSA-N 1 0 206.245 0.574 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](O)[C@H]1C ZINC000718956317 712790164 /nfs/dbraw/zinc/79/01/64/712790164.db2.gz WSRVMCAKFHKXIS-HBNTYKKESA-N 1 0 212.293 0.760 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719091572 712796837 /nfs/dbraw/zinc/79/68/37/712796837.db2.gz OOIVGDCBIHGODB-NSHDSACASA-N 1 0 227.304 0.884 20 30 BCEDRO C#CCN(C)CCC[NH2+]Cc1cnc2n1CCC2 ZINC000719186182 712799296 /nfs/dbraw/zinc/79/92/96/712799296.db2.gz HKZVTWRNDDQQBP-UHFFFAOYSA-N 1 0 246.358 0.874 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720742594 712863222 /nfs/dbraw/zinc/86/32/22/712863222.db2.gz SIVSFEYXXXCTCC-VHSXEESVSA-N 1 0 225.336 0.346 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000720819013 712868139 /nfs/dbraw/zinc/86/81/39/712868139.db2.gz XFQGFLKZDPWYKO-MXWKQRLJSA-N 1 0 221.304 0.841 20 30 BCEDRO C#CCCNC(=O)NC1CC[NH+](CC)CC1 ZINC000265042293 398139239 /nfs/dbraw/zinc/13/92/39/398139239.db2.gz SFOCCIYFZQEJKH-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C[C@H](C(=O)NC1(C#N)CCSCC1)[NH+](C)C ZINC000602127781 349456671 /nfs/dbraw/zinc/45/66/71/349456671.db2.gz YFBRQBKHZFRHKT-SECBINFHSA-N 1 0 241.360 0.842 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)NCC(C)(C)C#N)C1 ZINC000602129297 349457472 /nfs/dbraw/zinc/45/74/72/349457472.db2.gz FVUPXLAQYKJGQA-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)N2CC(CC#N)C2)C1 ZINC000602178959 349461558 /nfs/dbraw/zinc/46/15/58/349461558.db2.gz MBUMDZIMNKBFEQ-SNVBAGLBSA-N 1 0 221.304 0.700 20 30 BCEDRO C=CCN(CCC#N)C(=O)[C@@H](C)[NH+](C)C ZINC000602152171 349462085 /nfs/dbraw/zinc/46/20/85/349462085.db2.gz GEYQMSWNBRANGK-SNVBAGLBSA-N 1 0 209.293 0.865 20 30 BCEDRO COCCN(CC#N)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602160450 349465488 /nfs/dbraw/zinc/46/54/88/349465488.db2.gz YNUQBKQLWFNSEM-NSHDSACASA-N 1 0 239.319 0.327 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000270960542 398143298 /nfs/dbraw/zinc/14/32/98/398143298.db2.gz UZQWVHOWDMGKIB-NSHDSACASA-N 1 0 206.289 0.706 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000602168176 349467480 /nfs/dbraw/zinc/46/74/80/349467480.db2.gz VNZWEGZQHKXTNP-GARJFASQSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@H](C(=O)N1CC[C@](C)(C#N)C1)[NH+](C)C ZINC000602188432 349468876 /nfs/dbraw/zinc/46/88/76/349468876.db2.gz QFMXQASNRJAQQT-MWLCHTKSSA-N 1 0 209.293 0.699 20 30 BCEDRO C#CCCN1CC[NH+](C[C@H](O)CCC=C)CC1 ZINC000271999935 398145001 /nfs/dbraw/zinc/14/50/01/398145001.db2.gz HDPSLAARHCHYPH-CQSZACIVSA-N 1 0 236.359 0.954 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1CCO[C@](C)(COC)C1 ZINC000626175982 346814871 /nfs/dbraw/zinc/81/48/71/346814871.db2.gz CZOXCWJZNUWEQU-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO CCC#C[C@@H](C)[N@H+](C)CC(C)(CO)CO ZINC000649355968 398168342 /nfs/dbraw/zinc/16/83/42/398168342.db2.gz NYDKCSSIXHDDHI-LLVKDONJSA-N 1 0 213.321 0.711 20 30 BCEDRO C[C@@H](CN(C)C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232315753 398170335 /nfs/dbraw/zinc/17/03/35/398170335.db2.gz XTXCSZDRBOEOBZ-JTQLQIEISA-N 1 0 220.320 0.936 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](O)CC(=O)OCC ZINC000382472291 398172345 /nfs/dbraw/zinc/17/23/45/398172345.db2.gz CXZBJTXFGKRPOP-JTQLQIEISA-N 1 0 215.293 0.808 20 30 BCEDRO C=CCn1cc(CNC(=O)C[C@@H]2CCC[NH2+]2)nn1 ZINC000424206595 398176464 /nfs/dbraw/zinc/17/64/64/398176464.db2.gz HNLTZUNQLKKMOF-JTQLQIEISA-N 1 0 249.318 0.222 20 30 BCEDRO C[C@H]([NH2+][C@H]1CC[C@H](C#N)C1)C(=O)N(C)C ZINC000308851149 136216933 /nfs/dbraw/zinc/21/69/33/136216933.db2.gz OJOJHERJKMLMDX-GUBZILKMSA-N 1 0 209.293 0.745 20 30 BCEDRO C=CCN1CC[C@@H](N[C@@H]2CCCC[C@H]2[NH3+])C1=O ZINC000424289751 398179269 /nfs/dbraw/zinc/17/92/69/398179269.db2.gz MMFVDAAQFVZWTJ-IJLUTSLNSA-N 1 0 237.347 0.633 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H](C)[C@H](C)OC)nn1 ZINC000424290915 398180085 /nfs/dbraw/zinc/18/00/85/398180085.db2.gz CMWFRHRZFAYXHE-ZJUUUORDSA-N 1 0 224.308 0.977 20 30 BCEDRO CC#CC[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000308967449 136217235 /nfs/dbraw/zinc/21/72/35/136217235.db2.gz WTEVVHRCGLIJFO-NSHDSACASA-N 1 0 211.261 0.322 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@](C)(O)c1cccs1 ZINC000178589944 136217442 /nfs/dbraw/zinc/21/74/42/136217442.db2.gz VOVDSPIGOVUHGD-JTQLQIEISA-N 1 0 227.333 0.832 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)COC(C)C ZINC000379778285 398166729 /nfs/dbraw/zinc/16/67/29/398166729.db2.gz BCUMIENFERPXQM-NSHDSACASA-N 1 0 217.309 0.565 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@H](C)C[NH2+]C ZINC000418353530 192027000 /nfs/dbraw/zinc/02/70/00/192027000.db2.gz DBFAQKGDPAUTFG-GHMZBOCLSA-N 1 0 243.351 0.326 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CCC[N@H+](C)CC1 ZINC000301018592 349516747 /nfs/dbraw/zinc/51/67/47/349516747.db2.gz IXFZDMVMOKVRJB-JTQLQIEISA-N 1 0 212.293 0.352 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H](C)c1nccs1 ZINC000182190397 136219138 /nfs/dbraw/zinc/21/91/38/136219138.db2.gz WUDWXSXJKQFNNE-MRVPVSSYSA-N 1 0 242.348 0.797 20 30 BCEDRO C[C@H](CO)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000218151478 398202463 /nfs/dbraw/zinc/20/24/63/398202463.db2.gz ULEGPZNFKNPRNH-ZWNOBZJWSA-N 1 0 234.299 0.904 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000116891663 136220083 /nfs/dbraw/zinc/22/00/83/136220083.db2.gz JMBFWUSGSCEJTR-SECBINFHSA-N 1 0 218.322 0.186 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)CCNC(=O)C(C)C ZINC000649406100 398206324 /nfs/dbraw/zinc/20/63/24/398206324.db2.gz JDSYYSNXZYJBHB-LLVKDONJSA-N 1 0 228.336 0.627 20 30 BCEDRO CN1C[C@@H]([N@H+](C)CCCC#N)CCC1=O ZINC000576421450 365592211 /nfs/dbraw/zinc/59/22/11/365592211.db2.gz MBCMUHCTHOZOSR-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418370618 192029364 /nfs/dbraw/zinc/02/93/64/192029364.db2.gz OWOQOMWYUVGRET-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418378028 192030205 /nfs/dbraw/zinc/03/02/05/192030205.db2.gz CBPSLFQZRHRZBS-MNOVXSKESA-N 1 0 243.351 0.454 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418382572 192030574 /nfs/dbraw/zinc/03/05/74/192030574.db2.gz MJFYLRABQRWBFH-QWRGUYRKSA-N 1 0 241.335 0.365 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629915713 361770164 /nfs/dbraw/zinc/77/01/64/361770164.db2.gz LRDFJHSTKVQKTH-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@H](C)C[NH2+]C ZINC000418402859 192033810 /nfs/dbraw/zinc/03/38/10/192033810.db2.gz ZNLVPGSLRCVYEP-GHMZBOCLSA-N 1 0 243.351 0.468 20 30 BCEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)C2(C#N)CCC2)CCO1 ZINC000602435706 349522264 /nfs/dbraw/zinc/52/22/64/349522264.db2.gz SNHOWARULYOFTD-VHSXEESVSA-N 1 0 237.303 0.255 20 30 BCEDRO C[C@H]1CN(C(=O)C2(C#N)CCC2)CC[NH2+]1 ZINC000602435149 349522336 /nfs/dbraw/zinc/52/23/36/349522336.db2.gz TZVQKTAKZRWSEK-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@@H](C)C[NH2+]C ZINC000418402862 192033321 /nfs/dbraw/zinc/03/33/21/192033321.db2.gz ZNLVPGSLRCVYEP-WDEREUQCSA-N 1 0 243.351 0.468 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418447089 192036421 /nfs/dbraw/zinc/03/64/21/192036421.db2.gz BSWIFPYKGPROCC-MWLCHTKSSA-N 1 0 241.335 0.208 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000447054153 201705085 /nfs/dbraw/zinc/70/50/85/201705085.db2.gz KSTINBBYSIGZRK-GHMZBOCLSA-N 1 0 246.376 0.952 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418422402 192037023 /nfs/dbraw/zinc/03/70/23/192037023.db2.gz AYOPUQIRFZCBPF-WDEREUQCSA-N 1 0 243.351 0.596 20 30 BCEDRO N#CC1(C(=O)N[C@H]2CCC[NH2+]C2)CC2(CC2)C1 ZINC000602424822 349532597 /nfs/dbraw/zinc/53/25/97/349532597.db2.gz MEOWNZWUYQVJAI-JTQLQIEISA-N 1 0 233.315 0.939 20 30 BCEDRO C=CCN(CCOC)C(=O)NCC[NH2+]CCC ZINC000418464258 192037501 /nfs/dbraw/zinc/03/75/01/192037501.db2.gz AVDARXYFNFZSOI-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO CC[NH2+]CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000602429085 349534376 /nfs/dbraw/zinc/53/43/76/349534376.db2.gz RIUZBBDXTMSZTF-UHFFFAOYSA-N 1 0 221.304 0.796 20 30 BCEDRO C=CCC[N@@H+](C)C[C@](C)(O)C(=O)OC ZINC000343676013 365620755 /nfs/dbraw/zinc/62/07/55/365620755.db2.gz CEFABHXCDLYETE-JTQLQIEISA-N 1 0 201.266 0.418 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191593793 136228635 /nfs/dbraw/zinc/22/86/35/136228635.db2.gz IVPRHYRGBZUWID-LLVKDONJSA-N 1 0 219.288 0.923 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2CCC[NH2+]C2)CCC1 ZINC000602434292 349537639 /nfs/dbraw/zinc/53/76/39/349537639.db2.gz UUAUZOQJEUXUSQ-JTQLQIEISA-N 1 0 221.304 0.796 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(c2cc(C#N)ncn2)C1 ZINC000576690720 365658625 /nfs/dbraw/zinc/65/86/25/365658625.db2.gz TYEJJQXJFUNPFQ-JTQLQIEISA-N 1 0 231.303 0.736 20 30 BCEDRO C=CCN(CC=C)C(=O)NC[C@@H](C)C[NH3+] ZINC000418471437 192038839 /nfs/dbraw/zinc/03/88/39/192038839.db2.gz MFWPYQMFDFIXID-JTQLQIEISA-N 1 0 211.309 0.965 20 30 BCEDRO COCC[N@H+](CCO)C[C@H](C)CCC#N ZINC000602459374 349555746 /nfs/dbraw/zinc/55/57/46/349555746.db2.gz UIZASVAOABKSTL-LLVKDONJSA-N 1 0 214.309 0.867 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N2CC(C)(C#N)C2)C1 ZINC000580344818 398260669 /nfs/dbraw/zinc/26/06/69/398260669.db2.gz RBFFAWIDWHINHB-SNVBAGLBSA-N 1 0 221.304 0.700 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)N[C@H](C[NH3+])CCCC ZINC000418477551 192039819 /nfs/dbraw/zinc/03/98/19/192039819.db2.gz YAPUIYCMILPWFW-QWRGUYRKSA-N 1 0 243.351 0.740 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@H]3CC[NH2+][C@@H]3C2)CCC1 ZINC000602490130 349571187 /nfs/dbraw/zinc/57/11/87/349571187.db2.gz AGPFTAJWEBQWDV-WDEREUQCSA-N 1 0 233.315 0.891 20 30 BCEDRO CCC(C#N)(CC)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000602492879 349571768 /nfs/dbraw/zinc/57/17/68/349571768.db2.gz YYSFYIZJRSMNHP-MYJAWHEDSA-N 1 0 221.304 0.650 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2CC23CC[NH2+]CC3)CCC1 ZINC000602491709 349571822 /nfs/dbraw/zinc/57/18/22/349571822.db2.gz RJJVUEXARGHIDK-SNVBAGLBSA-N 1 0 233.315 0.939 20 30 BCEDRO C[C@H]1C[C@@H](NC(=O)C2(C#N)CCC2)CC[NH2+]1 ZINC000602493219 349572202 /nfs/dbraw/zinc/57/22/02/349572202.db2.gz QYWMSLAIHWFFHE-UWVGGRQHSA-N 1 0 221.304 0.937 20 30 BCEDRO CC1(C)CN(C(=O)C2(C#N)CCC2)CC[NH2+]1 ZINC000602496633 349559004 /nfs/dbraw/zinc/55/90/04/349559004.db2.gz ORTMLFDVMVAJBZ-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CC(=O)N(C)C1 ZINC000602527298 349578429 /nfs/dbraw/zinc/57/84/29/349578429.db2.gz OALXEWSFWFQHBP-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC(C)(C)CCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000602531469 349579939 /nfs/dbraw/zinc/57/99/39/349579939.db2.gz ISRNKSULTJWOTL-VIFPVBQESA-N 1 0 242.319 0.595 20 30 BCEDRO CN(CC(C)(C)[NH3+])C(=O)C1(C#N)CCC1 ZINC000602518445 349574276 /nfs/dbraw/zinc/57/42/76/349574276.db2.gz NDGJUDWZVCIHIH-UHFFFAOYSA-N 1 0 209.293 0.876 20 30 BCEDRO N#CC1(C(=O)NCC23CC(C2)C[NH2+]3)CC2(CC2)C1 ZINC000602536612 349603723 /nfs/dbraw/zinc/60/37/23/349603723.db2.gz VEERSTNJOSYFEB-UHFFFAOYSA-N 1 0 245.326 0.939 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000602536268 349603734 /nfs/dbraw/zinc/60/37/34/349603734.db2.gz SQOSSAUBHQREKH-CMPLNLGQSA-N 1 0 219.288 0.796 20 30 BCEDRO CN(CCOCC[NH3+])C(=O)C1(C#N)CCCC1 ZINC000602550171 349592162 /nfs/dbraw/zinc/59/21/62/349592162.db2.gz IFFAXJPVIMCYSF-UHFFFAOYSA-N 1 0 239.319 0.504 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@]1(C)CCO[C@H]1C ZINC000378863276 346849119 /nfs/dbraw/zinc/84/91/19/346849119.db2.gz VCFQOKUZXSOVGU-JQWIXIFHSA-N 1 0 224.304 0.283 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2COCC[NH2+]2)CCCC1 ZINC000602551951 349593835 /nfs/dbraw/zinc/59/38/35/349593835.db2.gz PVMLESSRGAKPPX-JTQLQIEISA-N 1 0 237.303 0.175 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]2COCC[NH2+]2)CC2(CC2)C1 ZINC000602552533 349594585 /nfs/dbraw/zinc/59/45/85/349594585.db2.gz UKVNPPLTBAHSDV-SNVBAGLBSA-N 1 0 249.314 0.175 20 30 BCEDRO COC[C@@H](CCO)[NH2+]C[C@H](C)CCC#N ZINC000602557244 349597464 /nfs/dbraw/zinc/59/74/64/349597464.db2.gz YKURWULKGZORCD-GHMZBOCLSA-N 1 0 214.309 0.913 20 30 BCEDRO COC[C@H](CCO)[NH2+]C[C@H](C)CCC#N ZINC000602557246 349597702 /nfs/dbraw/zinc/59/77/02/349597702.db2.gz YKURWULKGZORCD-MNOVXSKESA-N 1 0 214.309 0.913 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@H](CO)c1cnn(C)c1 ZINC000602577756 349606890 /nfs/dbraw/zinc/60/68/90/349606890.db2.gz AJFRZJRNKSPKGQ-CMPLNLGQSA-N 1 0 236.319 0.983 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C1([NH+](C)C)CC1 ZINC000613254204 361850351 /nfs/dbraw/zinc/85/03/51/361850351.db2.gz WEUYMQWPHCOKGV-JTQLQIEISA-N 1 0 226.320 0.381 20 30 BCEDRO Cc1c[nH]c(CN2CC[C@](O)(CC#N)C2)n1 ZINC000600166438 342694144 /nfs/dbraw/zinc/69/41/44/342694144.db2.gz CTXYDUUPFZPCGF-LLVKDONJSA-N 1 0 220.276 0.569 20 30 BCEDRO N#Cc1ccc(N2C[C@H]3C[NH2+]C[C@@H]3C2)nn1 ZINC000309584702 342714450 /nfs/dbraw/zinc/71/44/50/342714450.db2.gz RTMWXBDEFKPAQU-RKDXNWHRSA-N 1 0 215.260 0.004 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C1=CC[C@@H]([NH3+])C1 ZINC000602592058 349614773 /nfs/dbraw/zinc/61/47/73/349614773.db2.gz HKYUAQDVTHNZPR-WCBMZHEXSA-N 1 0 207.277 0.794 20 30 BCEDRO CN(C)C(=O)C[NH2+]C1CCC(C#N)CC1 ZINC000602592465 349615042 /nfs/dbraw/zinc/61/50/42/349615042.db2.gz FTWZEVBFLVKBGC-UHFFFAOYSA-N 1 0 209.293 0.747 20 30 BCEDRO CCC(C#N)(CC)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602592284 349615153 /nfs/dbraw/zinc/61/51/53/349615153.db2.gz PSICJFBEDFWPDW-UWVGGRQHSA-N 1 0 221.304 0.889 20 30 BCEDRO C[NH+](C)C1CN(c2nc3ccccn3c2C#N)C1 ZINC000273190055 398279529 /nfs/dbraw/zinc/27/95/29/398279529.db2.gz CNNGVMBHCULPOJ-UHFFFAOYSA-N 1 0 241.298 0.956 20 30 BCEDRO COC(=O)CC[C@H]([NH3+])C(=O)N(C)[C@H](C)CC#N ZINC000602593262 349615557 /nfs/dbraw/zinc/61/55/57/349615557.db2.gz NSHVKNSDKQCSPI-BDAKNGLRSA-N 1 0 241.291 0.027 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000320075887 342731862 /nfs/dbraw/zinc/73/18/62/342731862.db2.gz ARSXWYJEJYOSSC-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000320646208 342735203 /nfs/dbraw/zinc/73/52/03/342735203.db2.gz NZFYJLSEWVKWNP-VXGBXAGGSA-N 1 0 231.336 0.689 20 30 BCEDRO C=CCSCC[NH2+]C[C@@H](O)COCC ZINC000231942503 342762474 /nfs/dbraw/zinc/76/24/74/342762474.db2.gz AMSCYNKYVIJWQO-SNVBAGLBSA-N 1 0 219.350 0.893 20 30 BCEDRO C=CCSCC[NH2+]C[C@H](O)COCC ZINC000231942505 342762518 /nfs/dbraw/zinc/76/25/18/342762518.db2.gz AMSCYNKYVIJWQO-JTQLQIEISA-N 1 0 219.350 0.893 20 30 BCEDRO C=CC[C@H]1CCC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000621315389 342778521 /nfs/dbraw/zinc/77/85/21/342778521.db2.gz DNNWMIDTQUIIMJ-NSHDSACASA-N 1 0 246.376 0.824 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC1([NH2+]C)CCC1 ZINC000630004331 361885818 /nfs/dbraw/zinc/88/58/18/361885818.db2.gz VVKDEPBWDMDNPU-LLVKDONJSA-N 1 0 226.320 0.572 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000616386579 342751541 /nfs/dbraw/zinc/75/15/41/342751541.db2.gz XDZAYUGSPVXOOD-ZJUUUORDSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1CCC[C@@H]1C[NH3+] ZINC000418459687 192043736 /nfs/dbraw/zinc/04/37/36/192043736.db2.gz JUPCKSJKRCYUSP-IVZWLZJFSA-N 1 0 211.309 0.988 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418548126 192044062 /nfs/dbraw/zinc/04/40/62/192044062.db2.gz JQNXRUMRFHVZJB-LPEHRKFASA-N 1 0 211.309 0.858 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCN2CCC2)n1 ZINC000602569606 349620205 /nfs/dbraw/zinc/62/02/05/349620205.db2.gz BVFFMZJZMKAMIN-UHFFFAOYSA-N 1 0 216.288 0.749 20 30 BCEDRO C[C@@H](O)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602569528 349620253 /nfs/dbraw/zinc/62/02/53/349620253.db2.gz STNAYKVDWHGDEB-SECBINFHSA-N 1 0 205.261 0.814 20 30 BCEDRO CC[C@@H]1C[C@H]1NC(=O)[C@@H]([NH3+])CCCC#N ZINC000602570566 349620756 /nfs/dbraw/zinc/62/07/56/349620756.db2.gz CVTYNIBLBZFLRB-KXUCPTDWSA-N 1 0 209.293 0.922 20 30 BCEDRO C[NH2+]CCC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000602601846 349624593 /nfs/dbraw/zinc/62/45/93/349624593.db2.gz LIMJZMDDLSQZEJ-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cnn(C)c1C#N ZINC000356083378 398289145 /nfs/dbraw/zinc/28/91/45/398289145.db2.gz BTQCQNYWFRCLIS-VIFPVBQESA-N 1 0 249.318 0.362 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)N1CCn2nccc21 ZINC000602603433 349626123 /nfs/dbraw/zinc/62/61/23/349626123.db2.gz AKTXIKDOUSWQSL-JTQLQIEISA-N 1 0 247.302 0.641 20 30 BCEDRO COCC[NH2+]CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000602603520 349626322 /nfs/dbraw/zinc/62/63/22/349626322.db2.gz UAWDRKCSJUPOFT-WDEREUQCSA-N 1 0 239.319 0.373 20 30 BCEDRO CC[C@@H]([NH3+])C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000602603402 349626356 /nfs/dbraw/zinc/62/63/56/349626356.db2.gz RPNUBNBCCKYRKV-AEJSXWLSSA-N 1 0 209.293 0.874 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@H](C)[NH2+]CC)C(=O)OC ZINC000602602570 349625460 /nfs/dbraw/zinc/62/54/60/349625460.db2.gz UWRWHVAIGXALKD-UWVGGRQHSA-N 1 0 242.319 0.608 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@@H](C)[NH2+]CC)C(=O)OC ZINC000602602569 349625574 /nfs/dbraw/zinc/62/55/74/349625574.db2.gz UWRWHVAIGXALKD-NXEZZACHSA-N 1 0 242.319 0.608 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H](OC)C1 ZINC000381471233 539001572 /nfs/dbraw/zinc/00/15/72/539001572.db2.gz OOJVGJZUUFGQDF-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO C=CC[C@H](CO)[NH2+]CC1(OC)CCOCC1 ZINC000381749119 539006580 /nfs/dbraw/zinc/00/65/80/539006580.db2.gz QSONBSGEKFFAJQ-LLVKDONJSA-N 1 0 229.320 0.709 20 30 BCEDRO COCC#CC[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000390519346 539025975 /nfs/dbraw/zinc/02/59/75/539025975.db2.gz DXLMABMTXJNBBA-QWRGUYRKSA-N 1 0 224.304 0.270 20 30 BCEDRO N#Cc1ccc(CNC(=O)NCCC[NH3+])cc1 ZINC000417693611 398307803 /nfs/dbraw/zinc/30/78/03/398307803.db2.gz AJVZCKMXGZCNQN-UHFFFAOYSA-N 1 0 232.287 0.706 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2COCCN2)C1 ZINC000527533840 262861389 /nfs/dbraw/zinc/86/13/89/262861389.db2.gz WFJBPBMKYQCADW-IJLUTSLNSA-N 1 0 223.320 0.647 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000602610567 349634925 /nfs/dbraw/zinc/63/49/25/349634925.db2.gz BQCSJTSESMXZRT-CHWSQXEVSA-N 1 0 237.347 0.943 20 30 BCEDRO C=C[C@@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000162306818 349634511 /nfs/dbraw/zinc/63/45/11/349634511.db2.gz IXNMDGSEIDYSLJ-RKDXNWHRSA-N 1 0 203.307 0.728 20 30 BCEDRO C=C[C@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000162306969 349634577 /nfs/dbraw/zinc/63/45/77/349634577.db2.gz IXNMDGSEIDYSLJ-IUCAKERBSA-N 1 0 203.307 0.728 20 30 BCEDRO CO[C@@H](C[NH+]1CCN(CC#N)CC1)C1CC1 ZINC000400184462 398318745 /nfs/dbraw/zinc/31/87/45/398318745.db2.gz QUIBMLXFIHCLCG-LBPRGKRZSA-N 1 0 223.320 0.553 20 30 BCEDRO CO[C@H](C[NH+]1CCN(CC#N)CC1)C1CC1 ZINC000400184461 398318922 /nfs/dbraw/zinc/31/89/22/398318922.db2.gz QUIBMLXFIHCLCG-GFCCVEGCSA-N 1 0 223.320 0.553 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@H](C)CC[NH3+] ZINC000418556811 192050344 /nfs/dbraw/zinc/05/03/44/192050344.db2.gz OBVSPJVQQJDYAJ-SNVBAGLBSA-N 1 0 229.324 0.568 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418569250 192051402 /nfs/dbraw/zinc/05/14/02/192051402.db2.gz HTJRUXXBDMFVSA-MXWKQRLJSA-N 1 0 238.335 0.785 20 30 BCEDRO CN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@H]1CCC[C@@H]1C#N ZINC000602600948 349647294 /nfs/dbraw/zinc/64/72/94/349647294.db2.gz IFOQQAHRVLJWFN-DBIOUOCHSA-N 1 0 221.304 0.874 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000602594525 349643059 /nfs/dbraw/zinc/64/30/59/349643059.db2.gz YIUFBOMVLWQYHP-IUCAKERBSA-N 1 0 209.293 0.745 20 30 BCEDRO CN(C(=O)[C@H]1CC[NH2+]1)[C@H]1CCC[C@H]1C#N ZINC000602599942 349645878 /nfs/dbraw/zinc/64/58/78/349645878.db2.gz DBFXWDLFBKXJEC-AEJSXWLSSA-N 1 0 207.277 0.499 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@@H](C)O1 ZINC000602599767 349646092 /nfs/dbraw/zinc/64/60/92/349646092.db2.gz RHAVHVWWCHZHGH-DBIOUOCHSA-N 1 0 239.319 0.690 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)CCC[NH3+])C(=O)OC ZINC000602599375 349646125 /nfs/dbraw/zinc/64/61/25/349646125.db2.gz IQIVUUKDCVBXTL-SECBINFHSA-N 1 0 228.292 0.349 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@@H](CC)[NH2+]C)C(=O)OC ZINC000602600100 349646217 /nfs/dbraw/zinc/64/62/17/349646217.db2.gz LMWHBPSLZVUWOK-ZJUUUORDSA-N 1 0 242.319 0.608 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)C[NH2+]C1CC1)C(=O)OC ZINC000602600960 349646423 /nfs/dbraw/zinc/64/64/23/349646423.db2.gz QBQKNKRCLWDDQD-SNVBAGLBSA-N 1 0 240.303 0.362 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@H](C)C(=O)NCCF ZINC000602653283 349660144 /nfs/dbraw/zinc/66/01/44/349660144.db2.gz OHNYBSVDDHILEA-NXEZZACHSA-N 1 0 229.299 0.990 20 30 BCEDRO COC[C@@H](CO)[NH2+]C[C@H](C)CCC#N ZINC000602637878 349652443 /nfs/dbraw/zinc/65/24/43/349652443.db2.gz IEQDVWABLPGIFX-NXEZZACHSA-N 1 0 200.282 0.523 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000173928367 166177994 /nfs/dbraw/zinc/17/79/94/166177994.db2.gz RHTAJZHULYLHFD-LLVKDONJSA-N 1 0 219.288 0.275 20 30 BCEDRO CC#CCNC(=O)NCCC1=CC[NH2+]CC1 ZINC000418601562 192054755 /nfs/dbraw/zinc/05/47/55/192054755.db2.gz LEHDJMLZXPAPKF-UHFFFAOYSA-N 1 0 221.304 0.619 20 30 BCEDRO N#CC1(C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000602642753 349655150 /nfs/dbraw/zinc/65/51/50/349655150.db2.gz MCUGDDNBKKJXKF-VIFPVBQESA-N 1 0 207.277 0.548 20 30 BCEDRO CO[C@@]1(C[NH2+]CC2(C#N)CC2)CCOC1 ZINC000602643594 349655947 /nfs/dbraw/zinc/65/59/47/349655947.db2.gz RFCNVEYVKGEZBF-LLVKDONJSA-N 1 0 210.277 0.685 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000602626641 349663612 /nfs/dbraw/zinc/66/36/12/349663612.db2.gz MLZIRVJRCUQGOB-VHSXEESVSA-N 1 0 245.348 0.289 20 30 BCEDRO CN1CC[C@@H]([N@H+](C)CCCSCC#N)C1=O ZINC000074991263 398334898 /nfs/dbraw/zinc/33/48/98/398334898.db2.gz OLFKDVZCNJWNPS-SNVBAGLBSA-N 1 0 241.360 0.796 20 30 BCEDRO CO[C@@H]1C[N@H+](C[C@H](C)CCC#N)C[C@H]1O ZINC000602684370 349676249 /nfs/dbraw/zinc/67/62/49/349676249.db2.gz WTGRGMXQAJGLQR-GMTAPVOTSA-N 1 0 212.293 0.618 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CCS(=O)(=O)N(C)C ZINC000602678814 349672021 /nfs/dbraw/zinc/67/20/21/349672021.db2.gz ZMTMDEBVCUCXNT-JTQLQIEISA-N 1 0 247.364 0.407 20 30 BCEDRO C=C(C)CN(C)CCS(=O)(=O)N(C)C ZINC000351761089 136252461 /nfs/dbraw/zinc/25/24/61/136252461.db2.gz WNNGPKQUCRMHCM-UHFFFAOYSA-N 1 0 220.338 0.386 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000085614356 346897742 /nfs/dbraw/zinc/89/77/42/346897742.db2.gz GNIWYEOIMMNOKB-UWVGGRQHSA-N 1 0 241.360 0.842 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](Cc2ccc(=O)[nH]c2)C1 ZINC000602695078 349691555 /nfs/dbraw/zinc/69/15/55/349691555.db2.gz CPSNRDSZVZNHLI-LBPRGKRZSA-N 1 0 233.271 0.638 20 30 BCEDRO N#CC1(C[NH2+][C@@H]2CCNC(=O)CC2)CCC1 ZINC000602695356 349691814 /nfs/dbraw/zinc/69/18/14/349691814.db2.gz NKXJQPUHRKYZKP-JTQLQIEISA-N 1 0 221.304 0.939 20 30 BCEDRO CC(=O)NCC[N@@H+](C)C[C@H](C)CCC#N ZINC000602698636 349694508 /nfs/dbraw/zinc/69/45/08/349694508.db2.gz SXTPJFVOQLBNTP-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H](C)[C@H](O)C1 ZINC000351813722 136254503 /nfs/dbraw/zinc/25/45/03/136254503.db2.gz RPTKXLIOBMQSES-GMTAPVOTSA-N 1 0 239.319 0.060 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](C)S(C)(=O)=O ZINC000576816829 365692554 /nfs/dbraw/zinc/69/25/54/365692554.db2.gz LESJVPOBESSHDX-AXFHLTTASA-N 1 0 247.360 0.743 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCC(=O)N(C)C1=O ZINC000602691521 349688989 /nfs/dbraw/zinc/68/89/89/349688989.db2.gz GYXNSBNIKRCTHQ-UWVGGRQHSA-N 1 0 237.303 0.663 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CCC(=O)N(C)C1=O ZINC000602691515 349689001 /nfs/dbraw/zinc/68/90/01/349689001.db2.gz GYXNSBNIKRCTHQ-NXEZZACHSA-N 1 0 237.303 0.663 20 30 BCEDRO C=C(C)CC[NH+]1CCN(C[C@@H](C)O)CC1 ZINC000351817677 136255389 /nfs/dbraw/zinc/25/53/89/136255389.db2.gz BZILBTRNHVYMDO-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO N#CC1CCC([NH2+]C[C@@H]2CCC(=O)N2)CC1 ZINC000602719149 349697435 /nfs/dbraw/zinc/69/74/35/349697435.db2.gz YJHVICHKGORGHY-ILDUYXDCSA-N 1 0 221.304 0.937 20 30 BCEDRO C[NH+]=C(NCCn1ccnc1)NCc1ccoc1 ZINC000176304699 346908680 /nfs/dbraw/zinc/90/86/80/346908680.db2.gz RFTLKCQVPLAUDE-UHFFFAOYSA-N 1 0 247.302 0.841 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCN(C)C[C@H]1CO ZINC000602716389 349707019 /nfs/dbraw/zinc/70/70/19/349707019.db2.gz UQANKPHSLDLLFU-RYUDHWBXSA-N 1 0 225.336 0.535 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CC(=O)NCC(=O)OC ZINC000602745785 349711076 /nfs/dbraw/zinc/71/10/76/349711076.db2.gz ACFUZEIADFMBSZ-VIFPVBQESA-N 1 0 228.292 0.220 20 30 BCEDRO C#CCN1CCN(CC(=O)N[C@@H](C)CC)CC1 ZINC000045915523 342985847 /nfs/dbraw/zinc/98/58/47/342985847.db2.gz RTPZYHIXTXNMDW-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000602726205 349715866 /nfs/dbraw/zinc/71/58/66/349715866.db2.gz WGVHRUJJZIWHGD-WDEREUQCSA-N 1 0 239.319 0.502 20 30 BCEDRO C[C@H](CCC#N)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000518193162 259338676 /nfs/dbraw/zinc/33/86/76/259338676.db2.gz VXLBZTMKDUJGPX-NXEZZACHSA-N 1 0 209.293 0.841 20 30 BCEDRO C[C@@H]1CC(=O)NCC[N@@H+]1CC1(CC#N)CC1 ZINC000602801592 349742118 /nfs/dbraw/zinc/74/21/18/349742118.db2.gz WZGSAIHAHDRHPV-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCC[C@@H](CC)[NH2+]CC(=O)NCC(=O)OC ZINC000602752049 349730916 /nfs/dbraw/zinc/73/09/16/349730916.db2.gz WIUPQNFGLNWALH-SNVBAGLBSA-N 1 0 242.319 0.610 20 30 BCEDRO C=CCN(CCOC)CCN(C#N)CC ZINC000602827715 349765721 /nfs/dbraw/zinc/76/57/21/349765721.db2.gz NEZOEFVMVOKQCT-UHFFFAOYSA-N 1 0 211.309 0.924 20 30 BCEDRO COCCCNC(=O)[C@H](C)N[C@H](C)CC#N ZINC000602861716 349773421 /nfs/dbraw/zinc/77/34/21/349773421.db2.gz HVFYLRINPWZYOR-ZJUUUORDSA-N 1 0 227.308 0.419 20 30 BCEDRO N#CCC1(C[N@H+]2CC[C@H]3OCC(=O)N[C@@H]3C2)CC1 ZINC000602837003 349776235 /nfs/dbraw/zinc/77/62/35/349776235.db2.gz IWYZURPLORPALL-GHMZBOCLSA-N 1 0 249.314 0.270 20 30 BCEDRO Cn1nccc1[C@@H](CO)[NH2+]CC1(CC#N)CC1 ZINC000602838221 349777492 /nfs/dbraw/zinc/77/74/92/349777492.db2.gz BULOFQOKHFHKTF-SNVBAGLBSA-N 1 0 234.303 0.737 20 30 BCEDRO C[NH+](C)[C@H]1CN(CC2(CC#N)CC2)C[C@@H]1O ZINC000602838829 349777527 /nfs/dbraw/zinc/77/75/27/349777527.db2.gz SZLJVKSEQVZFGR-QWRGUYRKSA-N 1 0 223.320 0.287 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCN(C#N)CC ZINC000602841159 349779595 /nfs/dbraw/zinc/77/95/95/349779595.db2.gz QYGVVHPMYXYWFJ-MNOVXSKESA-N 1 0 209.293 0.722 20 30 BCEDRO C[C@@H](CC#N)NCc1cc(=O)c(O)co1 ZINC000602859835 349770866 /nfs/dbraw/zinc/77/08/66/349770866.db2.gz AWYKJNPVDXAEPW-ZETCQYMHSA-N 1 0 208.217 0.737 20 30 BCEDRO C[C@@H](CC#N)[NH2+]CCCS(=O)(=O)N(C)C ZINC000602860185 349771725 /nfs/dbraw/zinc/77/17/25/349771725.db2.gz BUQKPIFEOPMSOV-VIFPVBQESA-N 1 0 233.337 0.160 20 30 BCEDRO CC[C@@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856789 349788802 /nfs/dbraw/zinc/78/88/02/349788802.db2.gz NMXGUCKKZVHKGA-IJLUTSLNSA-N 1 0 225.336 0.675 20 30 BCEDRO CC[C@@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856790 349789351 /nfs/dbraw/zinc/78/93/51/349789351.db2.gz NMXGUCKKZVHKGA-SDDRHHMPSA-N 1 0 225.336 0.675 20 30 BCEDRO C[C@H]1C[NH+](CCc2cn[nH]c2)C[C@H](C)N1CC#N ZINC000602849710 349785014 /nfs/dbraw/zinc/78/50/14/349785014.db2.gz MSRZGJTZHYHPAA-RYUDHWBXSA-N 1 0 247.346 0.870 20 30 BCEDRO C[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602850583 349785730 /nfs/dbraw/zinc/78/57/30/349785730.db2.gz QUBAYGJEUUXOEU-MXWKQRLJSA-N 1 0 211.309 0.285 20 30 BCEDRO COCCC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853074 349786934 /nfs/dbraw/zinc/78/69/34/349786934.db2.gz GNPQDJUQDQHKIP-RYUDHWBXSA-N 1 0 225.336 0.941 20 30 BCEDRO C=CCNC(=O)[C@H](C)n1cc(C[NH2+]C2CC2)nn1 ZINC000640883371 362069079 /nfs/dbraw/zinc/06/90/79/362069079.db2.gz GZHHYLCYZCLRSC-VIFPVBQESA-N 1 0 249.318 0.393 20 30 BCEDRO C=C(C)Cn1cc(CC[C@H](O)C[NH3+])nn1 ZINC000640803376 362051597 /nfs/dbraw/zinc/05/15/97/362051597.db2.gz KIRMDJUDNZAFBO-JTQLQIEISA-N 1 0 210.281 0.106 20 30 BCEDRO CC(C)OC[C@H](O)C[NH2+][C@H](C)CC#N ZINC000602864544 349797030 /nfs/dbraw/zinc/79/70/30/349797030.db2.gz RXAWTIZMZYWRHE-NXEZZACHSA-N 1 0 200.282 0.664 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2COCC[C@@]2(C(=O)OC)C1 ZINC000373788790 136269446 /nfs/dbraw/zinc/26/94/46/136269446.db2.gz BQBJFHOOUDJLJF-CMPLNLGQSA-N 1 0 223.272 0.131 20 30 BCEDRO CCOCC[C@H](O)C[NH2+][C@@H](C)CC#N ZINC000602868421 349799000 /nfs/dbraw/zinc/79/90/00/349799000.db2.gz BGZKADFQWPEOPS-UWVGGRQHSA-N 1 0 200.282 0.666 20 30 BCEDRO N#CCCOCCN1CCN2C(=O)CC[C@@H]2C1 ZINC000339060884 136271238 /nfs/dbraw/zinc/27/12/38/136271238.db2.gz ZIEQGQZDHQIMGM-LLVKDONJSA-N 1 0 237.303 0.223 20 30 BCEDRO N#CCCOCCN1CCN2C(=O)CC[C@H]2C1 ZINC000339060885 136271262 /nfs/dbraw/zinc/27/12/62/136271262.db2.gz ZIEQGQZDHQIMGM-NSHDSACASA-N 1 0 237.303 0.223 20 30 BCEDRO CC(C)[C@H](CCO)[NH2+]CCOCCC#N ZINC000339084169 136271302 /nfs/dbraw/zinc/27/13/02/136271302.db2.gz SFNMRXIIFLOFOH-NSHDSACASA-N 1 0 214.309 0.913 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@](C)(O)C(=O)OC ZINC000343903275 136271560 /nfs/dbraw/zinc/27/15/60/136271560.db2.gz DWRRXQQOBJZAPH-LLVKDONJSA-N 1 0 231.292 0.045 20 30 BCEDRO CSC[C@H](O)C[NH+]1CCC(C#N)CC1 ZINC000187789207 323037400 /nfs/dbraw/zinc/03/74/00/323037400.db2.gz MXMKOCDASMLNDB-SNVBAGLBSA-N 1 0 214.334 0.946 20 30 BCEDRO CNC(=O)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000308935101 136274396 /nfs/dbraw/zinc/27/43/96/136274396.db2.gz KQPGDZFCBQMVJD-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO C=C(C)CNC(=[NH2+])N[C@H]1C[C@H](O)C1(C)C ZINC000186872026 136275608 /nfs/dbraw/zinc/27/56/08/136275608.db2.gz CWNGJSWYGMRFIL-IUCAKERBSA-N 1 0 211.309 0.626 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000178996009 529695206 /nfs/dbraw/zinc/69/52/06/529695206.db2.gz DVVVNCBDZLYJNX-ZETCQYMHSA-N 1 0 228.296 0.140 20 30 BCEDRO NC(=[NH2+])NCc1cccc2c1OCCCO2 ZINC000269310255 136282254 /nfs/dbraw/zinc/28/22/54/136282254.db2.gz WDQHWFWALNIGDB-UHFFFAOYSA-N 1 0 221.260 0.621 20 30 BCEDRO N/C(=N\O)[C@H]1CCCC[N@@H+]1CCCF ZINC000088025483 136283682 /nfs/dbraw/zinc/28/36/82/136283682.db2.gz AONKCVIUERYQLN-MRVPVSSYSA-N 1 0 203.261 0.947 20 30 BCEDRO N#Cc1cnc(N2CC[NH+](CCCF)CC2)cn1 ZINC000402860523 343238441 /nfs/dbraw/zinc/23/84/41/343238441.db2.gz XMKUVUKQBYWSAY-UHFFFAOYSA-N 1 0 249.293 0.830 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600312356 343245912 /nfs/dbraw/zinc/24/59/12/343245912.db2.gz FRROSWBJTSCQFX-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO C[NH+](C)CC(=O)N[C@@]1(C#N)CCSC1 ZINC000608959408 343249984 /nfs/dbraw/zinc/24/99/84/343249984.db2.gz AYZSKMYDCPCTMY-SECBINFHSA-N 1 0 213.306 0.063 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@H]1CCc2ncnn21 ZINC000602871841 349803466 /nfs/dbraw/zinc/80/34/66/349803466.db2.gz YBPSJDRRGQHPRD-RKDXNWHRSA-N 1 0 205.265 0.657 20 30 BCEDRO C[C@@H](CC#N)[NH2+]C[C@@H]1CCc2ncnn21 ZINC000602871840 349803491 /nfs/dbraw/zinc/80/34/91/349803491.db2.gz YBPSJDRRGQHPRD-IUCAKERBSA-N 1 0 205.265 0.657 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000602871731 349803628 /nfs/dbraw/zinc/80/36/28/349803628.db2.gz VKTSJIDIMYTIDN-NXEZZACHSA-N 1 0 212.293 0.544 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000295127911 136290254 /nfs/dbraw/zinc/29/02/54/136290254.db2.gz AOJVPHKXVQIMES-ZJUUUORDSA-N 1 0 226.320 0.834 20 30 BCEDRO NC(=O)CC[NH2+]CC#Cc1ccccc1 ZINC000051814144 343263461 /nfs/dbraw/zinc/26/34/61/343263461.db2.gz FIDHOJPJFLCWNQ-UHFFFAOYSA-N 1 0 202.257 0.503 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000569807925 323041000 /nfs/dbraw/zinc/04/10/00/323041000.db2.gz FRKLWPLKFAWQSP-YTWAJWBKSA-N 1 0 241.335 0.755 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])N(C)C ZINC000280479523 136285808 /nfs/dbraw/zinc/28/58/08/136285808.db2.gz ADYFHCSXMMFGLQ-UWVGGRQHSA-N 1 0 211.309 0.844 20 30 BCEDRO CN1CC[NH+]=C1NCc1nccn1C(F)F ZINC000284959712 136287266 /nfs/dbraw/zinc/28/72/66/136287266.db2.gz FKNIAJHMUUSFSS-UHFFFAOYSA-N 1 0 229.234 0.669 20 30 BCEDRO Cc1noc(CCCNC2=[NH+]C[C@@H](C)N2)n1 ZINC000284939808 136287364 /nfs/dbraw/zinc/28/73/64/136287364.db2.gz DBSFKIADQRDTLM-SSDOTTSWSA-N 1 0 223.280 0.248 20 30 BCEDRO CC#CCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000335612826 136295445 /nfs/dbraw/zinc/29/54/45/136295445.db2.gz JLRGSSXXDHROAX-ZJUUUORDSA-N 1 0 209.293 0.307 20 30 BCEDRO CCOC[C@@H](O)C[NH+]1CCC(C#N)CC1 ZINC000070989000 343342233 /nfs/dbraw/zinc/34/22/33/343342233.db2.gz RWSLOSFSPIJSAC-NSHDSACASA-N 1 0 212.293 0.619 20 30 BCEDRO N#Cc1ccc(NC(=O)NC2C[NH2+]C2)cc1F ZINC000335648218 136304354 /nfs/dbraw/zinc/30/43/54/136304354.db2.gz FKOHYOSERPYADQ-UHFFFAOYSA-N 1 0 234.234 0.791 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCCN1C(=O)CC#N ZINC000234110276 343355093 /nfs/dbraw/zinc/35/50/93/343355093.db2.gz HUFWTTLWGSANIR-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CCCSCC#N ZINC000602908376 349807064 /nfs/dbraw/zinc/80/70/64/349807064.db2.gz OSPZBJVEPRYNEO-QWRGUYRKSA-N 1 0 244.360 0.451 20 30 BCEDRO C=CCOCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000669555175 488216094 /nfs/dbraw/zinc/21/60/94/488216094.db2.gz FDSDTJPOVDTLHQ-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO CCC[N@H+](C)CC(=O)N[C@@]1(C#N)CCSC1 ZINC000609316925 343415575 /nfs/dbraw/zinc/41/55/75/343415575.db2.gz YRXBLDSRQWSSAU-LLVKDONJSA-N 1 0 241.360 0.844 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC2(CCO2)CC1 ZINC000367091178 136343347 /nfs/dbraw/zinc/34/33/47/136343347.db2.gz HJIVRIXLPDVOHY-NSHDSACASA-N 1 0 236.315 0.379 20 30 BCEDRO C=C(C)[C@H](CO)n1cc([C@@](C)([NH3+])CC)nn1 ZINC000641083275 362203729 /nfs/dbraw/zinc/20/37/29/362203729.db2.gz AEEBZBWZPXPHGY-ONGXEEELSA-N 1 0 224.308 0.972 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc(C[NH2+]CC)nn1 ZINC000641083385 362204003 /nfs/dbraw/zinc/20/40/03/362204003.db2.gz BEPGKGZUADEXAV-SNVBAGLBSA-N 1 0 210.281 0.497 20 30 BCEDRO C=C(C)[C@H](CO)n1cc(C[NH2+]CC)nn1 ZINC000641083381 362204138 /nfs/dbraw/zinc/20/41/38/362204138.db2.gz BEPGKGZUADEXAV-JTQLQIEISA-N 1 0 210.281 0.497 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc([C@@H]([NH3+])CC)nn1 ZINC000641083678 362205324 /nfs/dbraw/zinc/20/53/24/362205324.db2.gz DFHGMAGQSWTSTK-WCBMZHEXSA-N 1 0 210.281 0.797 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc(CCCC[NH3+])nn1 ZINC000641084997 362207258 /nfs/dbraw/zinc/20/72/58/362207258.db2.gz XOSGOZPELUHUMQ-LLVKDONJSA-N 1 0 224.308 0.669 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc(C2CC[NH2+]CC2)nn1 ZINC000641084359 362207265 /nfs/dbraw/zinc/20/72/65/362207265.db2.gz JAIYVIHDVGBBLV-GFCCVEGCSA-N 1 0 236.319 0.855 20 30 BCEDRO C=C(C)[C@H](CO)n1cc(CC[NH+](C)C)nn1 ZINC000641084568 362207296 /nfs/dbraw/zinc/20/72/96/362207296.db2.gz NTXCMTROECDXLE-NSHDSACASA-N 1 0 224.308 0.492 20 30 BCEDRO C=CCOCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000669555397 488216820 /nfs/dbraw/zinc/21/68/20/488216820.db2.gz VTTOPANEZPZHRU-SNVBAGLBSA-N 1 0 229.324 0.486 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@H+](C)C1CC1 ZINC000034674469 136330581 /nfs/dbraw/zinc/33/05/81/136330581.db2.gz YAONAMWBYSAZCK-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO CN1CC[NH+]=C1NCC1(CCO)CCCC1 ZINC000262672093 136374552 /nfs/dbraw/zinc/37/45/52/136374552.db2.gz RNPKERZNFRVHPW-UHFFFAOYSA-N 1 0 225.336 0.820 20 30 BCEDRO CN1CC[NH+]=C1NCCN1CC=CCC1 ZINC000262670733 136374628 /nfs/dbraw/zinc/37/46/28/136374628.db2.gz QVBTYLVCBXCLCM-UHFFFAOYSA-N 1 0 208.309 0.139 20 30 BCEDRO C=CCOCC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000292880848 136375704 /nfs/dbraw/zinc/37/57/04/136375704.db2.gz UCNSZHBVHIYWKP-SECBINFHSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CC[NH+](CC=C)C[C@H](O)CC(=O)OCC ZINC000135028307 343491391 /nfs/dbraw/zinc/49/13/91/343491391.db2.gz VVAQIJBYCOFCRP-LLVKDONJSA-N 1 0 227.304 0.975 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CCC)[C@@H]1CC[N@H+](C)C1 ZINC000616468340 343462872 /nfs/dbraw/zinc/46/28/72/343462872.db2.gz XIBZIYOQMKEDMS-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CCn1ccnc1 ZINC000310390199 343469838 /nfs/dbraw/zinc/46/98/38/343469838.db2.gz KWLRPXYFSWMNLO-UHFFFAOYSA-N 1 0 230.231 0.507 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1C[C@H](O)C[C@]1(C)CO ZINC000602898041 349814916 /nfs/dbraw/zinc/81/49/16/349814916.db2.gz KNUWNTWYNGDKOV-ZYHUDNBSSA-N 1 0 226.320 0.744 20 30 BCEDRO CC[C@@H](C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044828219 343516463 /nfs/dbraw/zinc/51/64/63/343516463.db2.gz DFSYJRZFMCCFOT-VHSXEESVSA-N 1 0 221.304 0.889 20 30 BCEDRO C#CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000491309280 259364208 /nfs/dbraw/zinc/36/42/08/259364208.db2.gz YJXFVVNGDINPRM-GARJFASQSA-N 1 0 221.304 0.388 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000491619466 259367546 /nfs/dbraw/zinc/36/75/46/259367546.db2.gz BBWJQUSZZJYXRV-QWHCGFSZSA-N 1 0 247.342 0.653 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000399069735 488226873 /nfs/dbraw/zinc/22/68/73/488226873.db2.gz LQTQJLBXYIAYKX-JTQLQIEISA-N 1 0 212.293 0.433 20 30 BCEDRO COC[C@@](C)(CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000602932634 349823510 /nfs/dbraw/zinc/82/35/10/349823510.db2.gz QTSIYTSAUJEBHJ-CMPLNLGQSA-N 1 0 244.335 0.274 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000491619464 259367650 /nfs/dbraw/zinc/36/76/50/259367650.db2.gz BBWJQUSZZJYXRV-OLZOCXBDSA-N 1 0 247.342 0.653 20 30 BCEDRO CO[C@@H]1C[N@H+](CC2(C#N)CC2)[C@](C)(CO)C1 ZINC000602964240 349827009 /nfs/dbraw/zinc/82/70/09/349827009.db2.gz NQUOHTPDPJBAKG-QWRGUYRKSA-N 1 0 224.304 0.762 20 30 BCEDRO C[C@@]12C[NH+](CCCC#N)C[C@@]1(C)C(=O)NC2=O ZINC000602936285 349824068 /nfs/dbraw/zinc/82/40/68/349824068.db2.gz PCPTXPLCBOHJAK-RYUDHWBXSA-N 1 0 235.287 0.275 20 30 BCEDRO CC[NH+]1CCC(Nc2ncncc2C#N)CC1 ZINC000380070534 343675823 /nfs/dbraw/zinc/67/58/23/343675823.db2.gz ZWFVYIGLGOATQG-UHFFFAOYSA-N 1 0 231.303 0.666 20 30 BCEDRO N#Cc1nccc(N2CCC[C@@H]3C[NH2+]CC[C@@H]32)n1 ZINC000601984576 343656569 /nfs/dbraw/zinc/65/65/69/343656569.db2.gz SLCTXNWWLPDYPV-MNOVXSKESA-N 1 0 243.314 0.927 20 30 BCEDRO COC[C@H](O)C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000309044086 346957948 /nfs/dbraw/zinc/95/79/48/346957948.db2.gz NEBDMBIXRAKSRZ-GMTAPVOTSA-N 1 0 212.293 0.666 20 30 BCEDRO CN(CC[NH+]1CCCC1)c1ccnc(C#N)n1 ZINC000380134615 343682406 /nfs/dbraw/zinc/68/24/06/343682406.db2.gz FDYRQKKCXPDADM-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[NH+](CC2CC2)CC1 ZINC000304211678 343684829 /nfs/dbraw/zinc/68/48/29/343684829.db2.gz HYISEVWOMWIBOU-LBPRGKRZSA-N 1 0 238.331 0.742 20 30 BCEDRO C[N@H+](CCC(=O)NC(N)=O)[C@H]1CCC[C@@H]1C#N ZINC000602976972 349841829 /nfs/dbraw/zinc/84/18/29/349841829.db2.gz VXEGJABSQKJYSE-BDAKNGLRSA-N 1 0 238.291 0.195 20 30 BCEDRO N#Cc1cccc(NC(=O)[C@@H]2C[NH2+]CCO2)c1 ZINC000043712558 343737681 /nfs/dbraw/zinc/73/76/81/343737681.db2.gz HTIOBIZXZPXLOO-NSHDSACASA-N 1 0 231.255 0.485 20 30 BCEDRO C=CCCS(=O)(=O)N(CC)CC[NH3+] ZINC000624382173 343743774 /nfs/dbraw/zinc/74/37/74/343743774.db2.gz QLHXHRRSCATZQB-UHFFFAOYSA-N 1 0 206.311 0.173 20 30 BCEDRO CC#CCNC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418723740 192064931 /nfs/dbraw/zinc/06/49/31/192064931.db2.gz ZUCWZGNXDYWRAV-ZETCQYMHSA-N 1 0 219.235 0.291 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H](O)C[C@H]1C ZINC000340920824 343719425 /nfs/dbraw/zinc/71/94/25/343719425.db2.gz XGRQYIKCTUACDG-VXGBXAGGSA-N 1 0 238.331 0.642 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@H]([NH3+])CC ZINC000418727032 192065332 /nfs/dbraw/zinc/06/53/32/192065332.db2.gz MEKFLLLVIHVXMI-SNVBAGLBSA-N 1 0 229.324 0.568 20 30 BCEDRO CC#CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000418744114 192066433 /nfs/dbraw/zinc/06/64/33/192066433.db2.gz DVLBVOHBLRPPOJ-NSHDSACASA-N 1 0 223.320 0.841 20 30 BCEDRO C=CC[C@H]1CC[N@H+](CCN2CCNC2=O)C1 ZINC000625701035 344041007 /nfs/dbraw/zinc/04/10/07/344041007.db2.gz GQBHPYSTHSRDSX-NSHDSACASA-N 1 0 223.320 0.910 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC000381037894 343850912 /nfs/dbraw/zinc/85/09/12/343850912.db2.gz DCAVSZVEVRSURN-RWMBFGLXSA-N 1 0 220.316 0.856 20 30 BCEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000334745768 343904733 /nfs/dbraw/zinc/90/47/33/343904733.db2.gz ADVSXVVYVVYKFO-BXKDBHETSA-N 1 0 219.288 0.852 20 30 BCEDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cc(C#N)n(C)c1 ZINC000334745771 343905039 /nfs/dbraw/zinc/90/50/39/343905039.db2.gz ADVSXVVYVVYKFO-SKDRFNHKSA-N 1 0 219.288 0.852 20 30 BCEDRO C#CCOc1ccc(C[NH2+]C[C@H](O)CO)cc1 ZINC000276822627 166198652 /nfs/dbraw/zinc/19/86/52/166198652.db2.gz WMRROQYANHDOIP-LBPRGKRZSA-N 1 0 235.283 0.141 20 30 BCEDRO N#C[C@H](c1ccccc1)n1cc(CC[NH3+])nn1 ZINC000603220684 349896969 /nfs/dbraw/zinc/89/69/69/349896969.db2.gz GWASIWSWVIELCM-GFCCVEGCSA-N 1 0 227.271 0.892 20 30 BCEDRO COC(=O)C1(C)CN(Cc2cccc(C#N)n2)C1 ZINC000602691096 343972377 /nfs/dbraw/zinc/97/23/77/343972377.db2.gz CFJBDZXZFHKOJS-UHFFFAOYSA-N 1 0 245.282 0.948 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@]1(CO)CC[C@H](C)C1 ZINC000187948225 259371936 /nfs/dbraw/zinc/37/19/36/259371936.db2.gz CZOQPBVNWYXPII-WCQYABFASA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CC2(CO)COC2)C1 ZINC000625701459 344042377 /nfs/dbraw/zinc/04/23/77/344042377.db2.gz RUNXXWAKTDMDGO-NSHDSACASA-N 1 0 211.305 0.893 20 30 BCEDRO C=CCC[C@H](O)Cn1cc(C[NH2+]C2CC2)nn1 ZINC000641211634 362272790 /nfs/dbraw/zinc/27/27/90/362272790.db2.gz AVYQGLISAXFQRJ-LBPRGKRZSA-N 1 0 236.319 0.857 20 30 BCEDRO C=CCC[C@@H](O)Cn1cc([C@@H](C)[NH2+]C)nn1 ZINC000641212738 362274887 /nfs/dbraw/zinc/27/48/87/362274887.db2.gz PVLKLISGAKCYEW-NXEZZACHSA-N 1 0 224.308 0.886 20 30 BCEDRO CN1CCOC[C@H]1CNC(=O)CCCCC#N ZINC000600421051 343967886 /nfs/dbraw/zinc/96/78/86/343967886.db2.gz UMTWSJWGKQLBGM-LLVKDONJSA-N 1 0 239.319 0.517 20 30 BCEDRO C#CCSCC[NH2+]Cc1cnn(C)c1 ZINC000152946580 166202682 /nfs/dbraw/zinc/20/26/82/166202682.db2.gz UZNREJHBRSWJLM-UHFFFAOYSA-N 1 0 209.318 0.876 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000395273152 344139158 /nfs/dbraw/zinc/13/91/58/344139158.db2.gz OLINCBNNEFJXHP-WDEREUQCSA-N 1 0 223.320 0.946 20 30 BCEDRO COCC#CC[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000684003435 488254485 /nfs/dbraw/zinc/25/44/85/488254485.db2.gz KMNOEAJQSAMRKG-ZDUSSCGKSA-N 1 0 240.347 0.289 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000684005949 488254531 /nfs/dbraw/zinc/25/45/31/488254531.db2.gz XOQANUHNZNEKRQ-ZYHUDNBSSA-N 1 0 224.304 0.135 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)c2cc(C#N)ccn2)C1 ZINC000590355503 347030987 /nfs/dbraw/zinc/03/09/87/347030987.db2.gz ARRFMYGWFCVDGA-UHFFFAOYSA-N 1 0 244.298 0.776 20 30 BCEDRO C[NH+](C)C[C@@H](CO)NC(=O)C1(C#N)CCCC1 ZINC000588863817 344196059 /nfs/dbraw/zinc/19/60/59/344196059.db2.gz WOIZWOSYXXWYMD-JTQLQIEISA-N 1 0 239.319 0.109 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3COC[C@@H]3C2)C1=O ZINC000634779636 344312210 /nfs/dbraw/zinc/31/22/10/344312210.db2.gz YGBVZHDMWJPFBE-TUAOUCFPSA-N 1 0 236.315 0.352 20 30 BCEDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600735554 344365190 /nfs/dbraw/zinc/36/51/90/344365190.db2.gz NRNKMFFVLFLXQU-JTQLQIEISA-N 1 0 239.319 0.109 20 30 BCEDRO C[C@H]1COCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000619426231 344333056 /nfs/dbraw/zinc/33/30/56/344333056.db2.gz IGMLWCOZFCECST-WCQYABFASA-N 1 0 237.347 0.989 20 30 BCEDRO CC[C@H](O)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600738570 344366537 /nfs/dbraw/zinc/36/65/37/344366537.db2.gz LKNVRWMBLRXOEQ-UWVGGRQHSA-N 1 0 212.293 0.402 20 30 BCEDRO C[C@@H](CCO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600741212 344367310 /nfs/dbraw/zinc/36/73/10/344367310.db2.gz CLGVUILDRMADJZ-UWVGGRQHSA-N 1 0 212.293 0.402 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCOCCF)CC1 ZINC000600743074 344367364 /nfs/dbraw/zinc/36/73/64/344367364.db2.gz IIHBOUNJMGUCDC-SNVBAGLBSA-N 1 0 230.283 0.617 20 30 BCEDRO CCC[C@@H](O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600743202 344367502 /nfs/dbraw/zinc/36/75/02/344367502.db2.gz LDKNZSBDYNNOQZ-GHMZBOCLSA-N 1 0 226.320 0.792 20 30 BCEDRO C[C@@H](CN(C)C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600740943 344367570 /nfs/dbraw/zinc/36/75/70/344367570.db2.gz LNDQIJMIDZGYLI-WDEREUQCSA-N 1 0 225.336 0.581 20 30 BCEDRO C[C@H](O)C[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600745996 344368242 /nfs/dbraw/zinc/36/82/42/344368242.db2.gz UHUCHVWHFGXMKD-DCAQKATOSA-N 1 0 226.320 0.790 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCn2ccnc2)CC1 ZINC000600719465 344362464 /nfs/dbraw/zinc/36/24/64/344362464.db2.gz STPIKHCBQYTNEU-LLVKDONJSA-N 1 0 234.303 0.527 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCN(C3CC3)C2)CC1 ZINC000600723304 344363219 /nfs/dbraw/zinc/36/32/19/344363219.db2.gz XFNJMQMEUCKEBB-YPMHNXCESA-N 1 0 249.358 0.867 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[C@H]1CC[NH2+]C1 ZINC000084383416 344425095 /nfs/dbraw/zinc/42/50/95/344425095.db2.gz BDXBSJHVVCVERT-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCCOCCO)CC1 ZINC000600751033 344368292 /nfs/dbraw/zinc/36/82/92/344368292.db2.gz ZDYGBLKTVMRGKA-NSHDSACASA-N 1 0 242.319 0.030 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2C[C@@H](O)C2)CC1 ZINC000600746321 344368723 /nfs/dbraw/zinc/36/87/23/344368723.db2.gz WVAAXQPHBBZKCY-KXUCPTDWSA-N 1 0 210.277 0.154 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CC[C@@H](CO)C2)CC1 ZINC000600746331 344368736 /nfs/dbraw/zinc/36/87/36/344368736.db2.gz 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344516626 /nfs/dbraw/zinc/51/66/26/344516626.db2.gz XEBUOZSOKALRTM-IUCAKERBSA-N 1 0 215.260 0.004 20 30 BCEDRO N#Cc1cnc(N2C[C@H]3C[NH2+]C[C@H]3C2)cn1 ZINC000085283626 344516657 /nfs/dbraw/zinc/51/66/57/344516657.db2.gz XEBUOZSOKALRTM-DTORHVGOSA-N 1 0 215.260 0.004 20 30 BCEDRO C[NH+]1CCC(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000181269946 347053760 /nfs/dbraw/zinc/05/37/60/347053760.db2.gz LDOXEQMDIDATJJ-UHFFFAOYSA-N 1 0 246.314 0.958 20 30 BCEDRO C[C@@H](C(=O)N[C@H](C#N)C(C)(C)C)[NH+](C)C ZINC000085431535 344532402 /nfs/dbraw/zinc/53/24/02/344532402.db2.gz CGMWNUNTABRABI-DTWKUNHWSA-N 1 0 211.309 0.991 20 30 BCEDRO COC(=O)[C@@H]1C[C@@H](O)CN1CCCCC#N ZINC000109760694 344534151 /nfs/dbraw/zinc/53/41/51/344534151.db2.gz MJGJRTSDWVHZIW-ZJUUUORDSA-N 1 0 226.276 0.288 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)C(C)(C)C#N)C1 ZINC000044752613 344545945 /nfs/dbraw/zinc/54/59/45/344545945.db2.gz FTUKIUMXJGXQFO-VIFPVBQESA-N 1 0 209.293 0.604 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC[NH+]1CCCCC1 ZINC000044826082 344551562 /nfs/dbraw/zinc/55/15/62/344551562.db2.gz QMRBMLYHJGTZCG-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044828247 344552000 /nfs/dbraw/zinc/55/20/00/344552000.db2.gz LZVGJDSJBMOZJK-IUCAKERBSA-N 1 0 207.277 0.499 20 30 BCEDRO C[C@H](C#N)C[N@H+](C)CC[C@@H]1CCNC1=O ZINC000395855351 344566410 /nfs/dbraw/zinc/56/64/10/344566410.db2.gz OSWIRTWJGORFOO-ZJUUUORDSA-N 1 0 209.293 0.604 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@H](C[NH2+]C)C1 ZINC000237067786 344588830 /nfs/dbraw/zinc/58/88/30/344588830.db2.gz ATHFSCCFXJAGGA-NSHDSACASA-N 1 0 246.376 0.824 20 30 BCEDRO C#CCC[N@@H+]1CCO[C@]2(CCCOC2)C1 ZINC000367531071 344670194 /nfs/dbraw/zinc/67/01/94/344670194.db2.gz LOBAPIOYHKTCJP-GFCCVEGCSA-N 1 0 209.289 0.891 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000609417792 344722361 /nfs/dbraw/zinc/72/23/61/344722361.db2.gz YTZVGPVMLWMQCO-JTQLQIEISA-N 1 0 207.277 0.501 20 30 BCEDRO C=C(C)CC[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000626076317 344723367 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345329646 /nfs/dbraw/zinc/32/96/46/345329646.db2.gz UGSAQOUJNOYCGC-VIFPVBQESA-N 1 0 209.293 0.889 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@](C)(O)c1ccc(F)cc1 ZINC000134235804 345405270 /nfs/dbraw/zinc/40/52/70/345405270.db2.gz MEPAERGTGZDVAH-GFCCVEGCSA-N 1 0 239.294 0.910 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@H]2C1 ZINC000248645504 345445208 /nfs/dbraw/zinc/44/52/08/345445208.db2.gz SIWRDGFHQGUFDF-DCAQKATOSA-N 1 0 244.360 0.561 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000626139391 345638641 /nfs/dbraw/zinc/63/86/41/345638641.db2.gz JDENHLRQVWJKQJ-QJPTWQEYSA-N 1 0 209.289 0.481 20 30 BCEDRO N#Cc1cccc(N2CCC([NH2+]CCO)CC2)n1 ZINC000092689463 345636264 /nfs/dbraw/zinc/63/62/64/345636264.db2.gz WHYMIQMYOURGAA-UHFFFAOYSA-N 1 0 246.314 0.504 20 30 BCEDRO N#Cc1cc(C[N@H+]2CC[C@H](CO)C2)ccn1 ZINC000082669278 345665266 /nfs/dbraw/zinc/66/52/66/345665266.db2.gz MCNKMOXPHHPQPE-NSHDSACASA-N 1 0 217.272 0.767 20 30 BCEDRO CNC(=[NH2+])NC[C@@H]1CCCN(c2ncccn2)C1 ZINC000093882612 345666807 /nfs/dbraw/zinc/66/68/07/345666807.db2.gz XFMZKXQTUQTQCB-JTQLQIEISA-N 1 0 248.334 0.227 20 30 BCEDRO CCN(CC#N)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601015415 345995169 /nfs/dbraw/zinc/99/51/69/345995169.db2.gz KQXKMHMGODVTRL-UHFFFAOYSA-N 1 0 249.318 0.430 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635764712 346057351 /nfs/dbraw/zinc/05/73/51/346057351.db2.gz AUFOADIZAWXMGU-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO CO[C@@H]1CCC[C@@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000586782562 346103384 /nfs/dbraw/zinc/10/33/84/346103384.db2.gz LFCNJAJRASRREY-GHMZBOCLSA-N 1 0 249.318 0.697 20 30 BCEDRO CNC(=O)C1C[NH+](CCC(C)(C)C#N)C1 ZINC000332028173 346171260 /nfs/dbraw/zinc/17/12/60/346171260.db2.gz JEYSDQIHZMSOEY-UHFFFAOYSA-N 1 0 209.293 0.604 20 30 BCEDRO CC[C@H](COC)[NH2+]C1CCN(CC#N)CC1 ZINC000167449780 346247844 /nfs/dbraw/zinc/24/78/44/346247844.db2.gz PZHWCQKKUNSHML-LLVKDONJSA-N 1 0 225.336 0.989 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC000641752871 362678029 /nfs/dbraw/zinc/67/80/29/362678029.db2.gz RMBYLDATZUAYGL-SNVBAGLBSA-N 1 0 209.293 0.755 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cnnn1CC ZINC000641752931 362678314 /nfs/dbraw/zinc/67/83/14/362678314.db2.gz UAERIOCAXVYFCD-SECBINFHSA-N 1 0 210.281 0.325 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636111605 346321637 /nfs/dbraw/zinc/32/16/37/346321637.db2.gz NFZRLAFSPYWNOC-RYUDHWBXSA-N 1 0 238.331 0.361 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000636112119 346323629 /nfs/dbraw/zinc/32/36/29/346323629.db2.gz OTYQFVDNDUQYFS-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1c(C)n[nH]c1C ZINC000641768929 362708831 /nfs/dbraw/zinc/70/88/31/362708831.db2.gz MAJBDCWVZBABKX-LLVKDONJSA-N 1 0 221.304 0.890 20 30 BCEDRO C=CC[C@H](CC)NC(=O)C(=O)N[C@H](C)CC[NH3+] ZINC000419131919 192100863 /nfs/dbraw/zinc/10/08/63/192100863.db2.gz FADOANACRMJFRT-ZJUUUORDSA-N 1 0 241.335 0.311 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccncc1N ZINC000641766676 362698988 /nfs/dbraw/zinc/69/89/88/362698988.db2.gz ADUAFRDBTWIYHW-NSHDSACASA-N 1 0 219.288 0.528 20 30 BCEDRO CC#CC[C@@H](CO)NCc1nccn1C ZINC000641769190 362704470 /nfs/dbraw/zinc/70/44/70/362704470.db2.gz PLQVONWGZOYZKW-JTQLQIEISA-N 1 0 207.277 0.284 20 30 BCEDRO C=CCN1CC[C@@H](N(C)[C@H]2CC[NH2+]C2)C1=O ZINC000580075517 346513368 /nfs/dbraw/zinc/51/33/68/346513368.db2.gz FNUUEKVTPYSFDQ-WDEREUQCSA-N 1 0 223.320 0.067 20 30 BCEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1cncc(C#N)n1 ZINC000401318486 346577983 /nfs/dbraw/zinc/57/79/83/346577983.db2.gz FGPPLEOIHBXEOX-KOLCDFICSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@@H]1CN(c2cncc(C#N)n2)C[C@H]1[NH+](C)C ZINC000401327129 346589690 /nfs/dbraw/zinc/58/96/90/346589690.db2.gz LMVHHHULLVBLEE-MWLCHTKSSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@H]1CN(c2cncc(C#N)n2)C[C@H]1[NH+](C)C ZINC000401327118 346589843 /nfs/dbraw/zinc/58/98/43/346589843.db2.gz LMVHHHULLVBLEE-GXSJLCMTSA-N 1 0 231.303 0.735 20 30 BCEDRO CC[N@@H+]1CCCN(c2cncc(C#N)n2)CC1 ZINC000401339419 346610903 /nfs/dbraw/zinc/61/09/03/346610903.db2.gz UBWPNHVDMIRAOK-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CCC[N@H+](C)CC1 ZINC000301018593 346568394 /nfs/dbraw/zinc/56/83/94/346568394.db2.gz IXFZDMVMOKVRJB-SNVBAGLBSA-N 1 0 212.293 0.352 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(O)cc2)n1 ZINC000589188201 346671894 /nfs/dbraw/zinc/67/18/94/346671894.db2.gz LFXUCTOKNLQWBG-UHFFFAOYSA-N 1 0 243.270 0.645 20 30 BCEDRO N#Cc1cc(N[C@H]2CCc3cncn3C2)ncn1 ZINC000588067686 346632201 /nfs/dbraw/zinc/63/22/01/346632201.db2.gz IZUFIFMBBVRBRQ-VIFPVBQESA-N 1 0 240.270 0.972 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@@H]1C ZINC000380065530 365836628 /nfs/dbraw/zinc/83/66/28/365836628.db2.gz BYEZOLLFJPGBIG-LPEHRKFASA-N 1 0 226.345 0.465 20 30 BCEDRO CC[N@@H+]1CCCN(C(=O)[C@@H](C)C#N)CC1 ZINC000307893765 346706850 /nfs/dbraw/zinc/70/68/50/346706850.db2.gz IDPYQDZALGLDHI-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO CN(CCCO)C(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000331260739 133640131 /nfs/dbraw/zinc/64/01/31/133640131.db2.gz BHMVSOJAMGWOHM-MNOVXSKESA-N 1 0 243.351 0.697 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1cccc(C#N)n1 ZINC000589439534 346701121 /nfs/dbraw/zinc/70/11/21/346701121.db2.gz BKSXRELHXGAKSA-UHFFFAOYSA-N 1 0 232.287 0.587 20 30 BCEDRO C[C@@H](NC(=O)COc1ccc(C#N)cc1)[C@H](C)[NH3+] ZINC000580655378 365851040 /nfs/dbraw/zinc/85/10/40/365851040.db2.gz UWBCJULRRUDEOY-VHSXEESVSA-N 1 0 247.298 0.789 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)CSCC#N)[C@H]2C1 ZINC000590043522 346766558 /nfs/dbraw/zinc/76/65/58/346766558.db2.gz BDCXCJKOTDUUJM-ZJUUUORDSA-N 1 0 239.344 0.406 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)c2ccc(C#N)[nH]2)C1 ZINC000590046997 346767262 /nfs/dbraw/zinc/76/72/62/346767262.db2.gz RVCSPOILAQYRKV-CABZTGNLSA-N 1 0 244.298 0.662 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)CCCC#N)[C@@H]2C1 ZINC000590046960 346767439 /nfs/dbraw/zinc/76/74/39/346767439.db2.gz QAULENGIVLPYHE-GHMZBOCLSA-N 1 0 221.304 0.843 20 30 BCEDRO N#Cc1ccc(CN2CCCC[C@H]2C(N)=O)nc1 ZINC000580657431 365852658 /nfs/dbraw/zinc/85/26/58/365852658.db2.gz OGFAWPCFQFLGLO-LBPRGKRZSA-N 1 0 244.298 0.793 20 30 BCEDRO N#Cc1cncc(N[C@@H]2CCC[NH2+]CC2)n1 ZINC000401503804 346750016 /nfs/dbraw/zinc/75/00/16/346750016.db2.gz JBBWCLFXIKXQES-SECBINFHSA-N 1 0 217.276 0.902 20 30 BCEDRO N#Cc1cncc(NCC[C@H]2CCC[NH2+]2)n1 ZINC000401500878 346751629 /nfs/dbraw/zinc/75/16/29/346751629.db2.gz HAIXHMLBCFELHP-SECBINFHSA-N 1 0 217.276 0.902 20 30 BCEDRO CN(c1cncc(C#N)n1)[C@@H](C[NH3+])C1CC1 ZINC000401500602 346751680 /nfs/dbraw/zinc/75/16/80/346751680.db2.gz GVNAFMQNPFJZPY-JTQLQIEISA-N 1 0 217.276 0.522 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3cc(C#N)c[nH]3)[C@H]2C1 ZINC000589941597 346754357 /nfs/dbraw/zinc/75/43/57/346754357.db2.gz QVVLIDAJHJUJID-PWSUYJOCSA-N 1 0 244.298 0.662 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([N@@H+]2C[C@H](O)C[C@H](O)C2)C1 ZINC000590162468 346785306 /nfs/dbraw/zinc/78/53/06/346785306.db2.gz MBWYJXLOJSIAOF-DBIOUOCHSA-N 1 0 210.277 0.106 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(CCOCCC#N)[C@@H]2C1 ZINC000590183975 346788862 /nfs/dbraw/zinc/78/88/62/346788862.db2.gz LDBYMAXBZUOAEY-VXGBXAGGSA-N 1 0 223.320 0.553 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)CC3(C#N)CC3)[C@@H]2C1 ZINC000590444168 347118109 /nfs/dbraw/zinc/11/81/09/347118109.db2.gz LSRNWIUXFRIZPG-GHMZBOCLSA-N 1 0 233.315 0.843 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000309609069 347121227 /nfs/dbraw/zinc/12/12/27/347121227.db2.gz YVLAWOLHEINEKV-MNOVXSKESA-N 1 0 219.292 0.950 20 30 BCEDRO C[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000582070716 347169544 /nfs/dbraw/zinc/16/95/44/347169544.db2.gz VOOCQQLMNUUEBU-SECBINFHSA-N 1 0 205.261 0.766 20 30 BCEDRO CC(C)[NH2+]C1(CO)CCN(CCC#N)CC1 ZINC000582070297 347169708 /nfs/dbraw/zinc/16/97/08/347169708.db2.gz FXEFPYPQYNTZHH-UHFFFAOYSA-N 1 0 225.336 0.725 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCN1C(=O)CCC1=O ZINC000491783390 347191504 /nfs/dbraw/zinc/19/15/04/347191504.db2.gz QZVKZFFZYZODEE-SECBINFHSA-N 1 0 208.261 0.089 20 30 BCEDRO COC(=O)CN1CCC([NH2+]C[C@H](C)C#N)CC1 ZINC000185573620 347204885 /nfs/dbraw/zinc/20/48/85/347204885.db2.gz MDJRWSAGWHBXCF-SNVBAGLBSA-N 1 0 239.319 0.373 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]C2CN(c3ccncn3)C2)C1 ZINC000601303409 347178336 /nfs/dbraw/zinc/17/83/36/347178336.db2.gz CDSIISZCOFCULC-QWRGUYRKSA-N 1 0 243.314 0.947 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000684668239 488334904 /nfs/dbraw/zinc/33/49/04/488334904.db2.gz IKMHFXUBUYFCKQ-ZYHUDNBSSA-N 1 0 226.320 0.381 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000160330580 347259930 /nfs/dbraw/zinc/25/99/30/347259930.db2.gz PVWFEFJVTAWSIS-NSHDSACASA-N 1 0 208.305 0.987 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)NC[C@H]1CCCO1 ZINC000276382944 166257140 /nfs/dbraw/zinc/25/71/40/166257140.db2.gz IIVGHUZNFOHPRZ-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO CS[C@H](C)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000130532557 133659111 /nfs/dbraw/zinc/65/91/11/133659111.db2.gz QTNPLHJBOZKYFD-RKDXNWHRSA-N 1 0 231.365 0.821 20 30 BCEDRO CC(C)C[N@H+](CC(N)=O)Cc1cc(C#N)n(C)c1 ZINC000191242838 347346605 /nfs/dbraw/zinc/34/66/05/347346605.db2.gz DKDDURYISOKNCC-UHFFFAOYSA-N 1 0 248.330 0.840 20 30 BCEDRO C=C1CCN(C(=O)[C@@]2(COC)CC[NH2+]C2)CC1 ZINC000382559446 347359790 /nfs/dbraw/zinc/35/97/90/347359790.db2.gz QGOLXQSLJQUVDO-ZDUSSCGKSA-N 1 0 238.331 0.791 20 30 BCEDRO CN(CCC(=O)N1CC(C#N)C1)c1cc[nH+]cc1 ZINC000590492239 347404596 /nfs/dbraw/zinc/40/45/96/347404596.db2.gz SKOYFDBGZJXNCD-UHFFFAOYSA-N 1 0 244.298 0.890 20 30 BCEDRO C[NH+](C)C1(CNS(=O)(=O)CCCC#N)CC1 ZINC000601449133 347368203 /nfs/dbraw/zinc/36/82/03/347368203.db2.gz STHMNUIWFIXSNJ-UHFFFAOYSA-N 1 0 245.348 0.304 20 30 BCEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N1CC(C#N)C1 ZINC000590486379 347375908 /nfs/dbraw/zinc/37/59/08/347375908.db2.gz JUVZYEDSZSIWLI-NSHDSACASA-N 1 0 221.304 0.843 20 30 BCEDRO N#CC1CN(C(=O)[C@@H]2CCn3ccnc3C2)C1 ZINC000590486145 347376345 /nfs/dbraw/zinc/37/63/45/347376345.db2.gz QMWOZQHMCQSNEM-SNVBAGLBSA-N 1 0 230.271 0.427 20 30 BCEDRO CNC(NCc1ccc(NC(C)=O)cc1)=[NH+]C ZINC000192513855 347376407 /nfs/dbraw/zinc/37/64/07/347376407.db2.gz JBHTUWFZWASPJI-UHFFFAOYSA-N 1 0 234.303 0.940 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@@]1([NH+](C)C)CCCSC1 ZINC000364415816 347418716 /nfs/dbraw/zinc/41/87/16/347418716.db2.gz DWEYMFOXMUUWOI-CMPLNLGQSA-N 1 0 240.372 0.952 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1cccnc1 ZINC000195522284 347456949 /nfs/dbraw/zinc/45/69/49/347456949.db2.gz ADBMAHIYHLQKBA-UHFFFAOYSA-N 1 0 204.277 0.714 20 30 BCEDRO NC(=[NH2+])NCc1cccc(N2CCCC2=O)c1 ZINC000195522431 347457289 /nfs/dbraw/zinc/45/72/89/347457289.db2.gz MWBWZDIWCQDPNX-UHFFFAOYSA-N 1 0 232.287 0.587 20 30 BCEDRO NC(=[NH2+])NCCC(=O)N1CCCCCC1 ZINC000195522773 347457370 /nfs/dbraw/zinc/45/73/70/347457370.db2.gz SFUOGRAHLFHJDV-UHFFFAOYSA-N 1 0 212.297 0.053 20 30 BCEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC1CC1 ZINC000276515553 166260826 /nfs/dbraw/zinc/26/08/26/166260826.db2.gz YACXORDPXKVFEB-SECBINFHSA-N 1 0 239.319 0.871 20 30 BCEDRO C[C@@H]1[C@H](C)N(c2nccc(C#N)n2)CC[N@H+]1C ZINC000590696030 347492767 /nfs/dbraw/zinc/49/27/67/347492767.db2.gz ISAWHNKYPIKGQA-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO C=CC1CC[NH+]([C@H](C)C(=O)NC(=O)NC)CC1 ZINC000111259307 347472521 /nfs/dbraw/zinc/47/25/21/347472521.db2.gz LGGSFFIEETYNNI-SECBINFHSA-N 1 0 239.319 0.729 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C1 ZINC000382160155 347478171 /nfs/dbraw/zinc/47/81/71/347478171.db2.gz SMKCJTGPEABXBC-QCNOEVLYSA-N 1 0 224.304 0.808 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN(CC#N)C1CC1 ZINC000590600565 347480125 /nfs/dbraw/zinc/48/01/25/347480125.db2.gz DQVJRORSIWGNEI-GFCCVEGCSA-N 1 0 225.336 0.675 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000590632002 347481916 /nfs/dbraw/zinc/48/19/16/347481916.db2.gz PMOCSJKKQCWDBA-SNVBAGLBSA-N 1 0 246.314 0.721 20 30 BCEDRO C[C@H]1C[C@@]1(C#N)C(=O)NCC[N@H+]1CC=CCC1 ZINC000590751166 347503770 /nfs/dbraw/zinc/50/37/70/347503770.db2.gz NXDVGHUEMHUALU-AAEUAGOBSA-N 1 0 233.315 0.914 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000338563782 166263110 /nfs/dbraw/zinc/26/31/10/166263110.db2.gz BSPSCCPPHWNNOH-LLVKDONJSA-N 1 0 246.376 0.965 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000617004852 347575525 /nfs/dbraw/zinc/57/55/25/347575525.db2.gz ZGKDVIROBQBBFM-GWCFXTLKSA-N 1 0 240.347 0.912 20 30 BCEDRO C=CCC[N@H+]1CCCN([C@H](C)CO)CC1 ZINC000364892806 347583090 /nfs/dbraw/zinc/58/30/90/347583090.db2.gz HBBPWXBUZBHHFZ-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000308297632 166265377 /nfs/dbraw/zinc/26/53/77/166265377.db2.gz IXBRRYRIRHANHE-VIFPVBQESA-N 1 0 203.307 0.681 20 30 BCEDRO CCC[C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591241575 347632880 /nfs/dbraw/zinc/63/28/80/347632880.db2.gz KCPATJOBVYYNEM-NEPJUHHUSA-N 1 0 227.352 0.971 20 30 BCEDRO CCC[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000591241578 347633072 /nfs/dbraw/zinc/63/30/72/347633072.db2.gz KCPATJOBVYYNEM-VXGBXAGGSA-N 1 0 227.352 0.971 20 30 BCEDRO C[C@@H](C[NH2+]C[C@H](O)CN(C)CCC#N)C1CC1 ZINC000591240786 347633106 /nfs/dbraw/zinc/63/31/06/347633106.db2.gz ACFQMFKHQIHWOL-AAEUAGOBSA-N 1 0 239.363 0.828 20 30 BCEDRO C[C@@]1(C#N)CCCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000591359499 347645159 /nfs/dbraw/zinc/64/51/59/347645159.db2.gz AEBKGABUEXTZLX-PWSUYJOCSA-N 1 0 236.319 0.684 20 30 BCEDRO N#C[C@@]1(F)CCN(C(=O)NCC2([NH3+])CCC2)C1 ZINC000591360131 347645209 /nfs/dbraw/zinc/64/52/09/347645209.db2.gz ZQZUXKTYKSYFGW-JTQLQIEISA-N 1 0 240.282 0.515 20 30 BCEDRO C[C@@]1(C#N)CCCN(C(=O)N[C@H]2CC[NH2+]C2)C1 ZINC000591359498 347645269 /nfs/dbraw/zinc/64/52/69/347645269.db2.gz AEBKGABUEXTZLX-JQWIXIFHSA-N 1 0 236.319 0.684 20 30 BCEDRO N#C[C@]1(F)CCN(C(=O)N[C@@H]2CCC[NH2+]C2)C1 ZINC000591359451 347645454 /nfs/dbraw/zinc/64/54/54/347645454.db2.gz GQMVPECJPSNTKR-MWLCHTKSSA-N 1 0 240.282 0.386 20 30 BCEDRO CC[NH2+]CCCNC(=O)N1CC[C@@](F)(C#N)C1 ZINC000591358529 347645477 /nfs/dbraw/zinc/64/54/77/347645477.db2.gz CCNCLRJGHDLAQB-LLVKDONJSA-N 1 0 242.298 0.633 20 30 BCEDRO N#CCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000364958218 347606522 /nfs/dbraw/zinc/60/65/22/347606522.db2.gz WZRHVJNEEDVGKD-GARJFASQSA-N 1 0 221.304 0.876 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H](C2CCC2)C1 ZINC000591062035 347612334 /nfs/dbraw/zinc/61/23/34/347612334.db2.gz SCRYRNIFPWEYNF-LLVKDONJSA-N 1 0 221.304 0.748 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[N@H+](C)C(C)(C)C1 ZINC000491072755 362848035 /nfs/dbraw/zinc/84/80/35/362848035.db2.gz VOKONJAUQJEQDY-NSHDSACASA-N 1 0 237.347 0.150 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NCC2C[NH2+]C2)C1 ZINC000591691954 347690160 /nfs/dbraw/zinc/69/01/60/347690160.db2.gz FFLSFVZAHPZHQX-WCBMZHEXSA-N 1 0 222.292 0.197 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NC/C=C/C[NH3+])C1 ZINC000591692016 347690335 /nfs/dbraw/zinc/69/03/35/347690335.db2.gz RRQFGJFVYJXVEG-YBNRLKPGSA-N 1 0 222.292 0.493 20 30 BCEDRO CC(C)OC[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759375 347691817 /nfs/dbraw/zinc/69/18/17/347691817.db2.gz KQNNLLWEHHAFSL-JTQLQIEISA-N 1 0 214.309 0.912 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CCC1CC1 ZINC000591744523 347695535 /nfs/dbraw/zinc/69/55/35/347695535.db2.gz GIHFQBZTXZSWBU-GFCCVEGCSA-N 1 0 225.336 0.582 20 30 BCEDRO CSCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000591592136 347672507 /nfs/dbraw/zinc/67/25/07/347672507.db2.gz MWQKRRRAGGEDEW-QMMMGPOBSA-N 1 0 215.322 0.487 20 30 BCEDRO CSCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000591592125 347672584 /nfs/dbraw/zinc/67/25/84/347672584.db2.gz MWQKRRRAGGEDEW-MRVPVSSYSA-N 1 0 215.322 0.487 20 30 BCEDRO CC(C)([NH3+])CC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000592255620 347764700 /nfs/dbraw/zinc/76/47/00/347764700.db2.gz VQHRIHGEELBULR-DTWKUNHWSA-N 1 0 209.293 0.922 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CC1([NH3+])CCC1 ZINC000592257599 347764805 /nfs/dbraw/zinc/76/48/05/347764805.db2.gz XSUHJENVDGGHOP-UHFFFAOYSA-N 1 0 219.248 0.491 20 30 BCEDRO CN(Cc1ccncc1C#N)C1CC(O)C1 ZINC000592103366 347734257 /nfs/dbraw/zinc/73/42/57/347734257.db2.gz LSJOYIGTFYZYIR-UHFFFAOYSA-N 1 0 217.272 0.908 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000592149922 347740698 /nfs/dbraw/zinc/74/06/98/347740698.db2.gz ZXMFYKCNXIPKDW-NWDGAFQWSA-N 1 0 224.304 0.763 20 30 BCEDRO N#CC[C@@]1(O)CCN(CC[NH+]2CCCCC2)C1 ZINC000592150281 347741669 /nfs/dbraw/zinc/74/16/69/347741669.db2.gz DETREFNCWVQZAR-CYBMUJFWSA-N 1 0 237.347 0.823 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150613 347741850 /nfs/dbraw/zinc/74/18/50/347741850.db2.gz FBUOESLIQKJQQT-WDEREUQCSA-N 1 0 210.277 0.274 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CCc2cccnc2)C1 ZINC000592150214 347741906 /nfs/dbraw/zinc/74/19/06/347741906.db2.gz BAEGZNUEAYVXPV-ZDUSSCGKSA-N 1 0 231.299 0.975 20 30 BCEDRO N#CC[C@@]1(O)CC[N@@H+]([C@@H]2CCCOC2)C1 ZINC000592151050 347742704 /nfs/dbraw/zinc/74/27/04/347742704.db2.gz JSEPMIXTSSAWDF-GHMZBOCLSA-N 1 0 210.277 0.516 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CC[C@H]2CCCO2)C1 ZINC000592154585 347744832 /nfs/dbraw/zinc/74/48/32/347744832.db2.gz UKKYAAGLOUYWNW-VXGBXAGGSA-N 1 0 224.304 0.906 20 30 BCEDRO CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592155052 347745121 /nfs/dbraw/zinc/74/51/21/347745121.db2.gz WYINTNOMPRFEDR-JQWIXIFHSA-N 1 0 226.320 0.744 20 30 BCEDRO CO[C@@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592154917 347745336 /nfs/dbraw/zinc/74/53/36/347745336.db2.gz WFSGRQHWJJSRJZ-RYUDHWBXSA-N 1 0 224.304 0.762 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N2CCO[C@H](C#N)C2)CC[N@@H+]1C ZINC000592762617 347815202 /nfs/dbraw/zinc/81/52/02/347815202.db2.gz ZZLFYESABNKNGN-GMTAPVOTSA-N 1 0 237.303 0.078 20 30 BCEDRO C[C@H](C#N)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592762247 347815255 /nfs/dbraw/zinc/81/52/55/347815255.db2.gz IUWRIIPBMBJUBZ-OPRDCNLKSA-N 1 0 209.293 0.602 20 30 BCEDRO N#Cc1cnccc1CN1CC[C@@H]([NH3+])C1 ZINC000592470763 347789245 /nfs/dbraw/zinc/78/92/45/347789245.db2.gz QAEKPSIQMBENDM-LLVKDONJSA-N 1 0 202.261 0.486 20 30 BCEDRO C[C@@H](CCC#N)[NH2+][C@H](CO)c1ccnn1C ZINC000593033099 347842410 /nfs/dbraw/zinc/84/24/10/347842410.db2.gz ILHZGXZKDOZNIY-VHSXEESVSA-N 1 0 222.292 0.735 20 30 BCEDRO C=CCCCC[N@H+]1CC[C@](O)(C(N)=O)C1 ZINC000577340106 365927932 /nfs/dbraw/zinc/92/79/32/365927932.db2.gz BWHUKVKGVNQGBB-LLVKDONJSA-N 1 0 212.293 0.265 20 30 BCEDRO CCC[C@@H](C)[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC000593051383 347853155 /nfs/dbraw/zinc/85/31/55/347853155.db2.gz LTBIBMRLEKWYAY-NXEZZACHSA-N 1 0 227.308 0.013 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)CC[NH+](C)C ZINC000177680060 166275236 /nfs/dbraw/zinc/27/52/36/166275236.db2.gz JVIXTKPYXUQWAK-LLVKDONJSA-N 1 0 228.336 0.988 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)[C@H](C)CCO ZINC000593110381 347861112 /nfs/dbraw/zinc/86/11/12/347861112.db2.gz WIVUAYNOYMAJGB-LLVKDONJSA-N 1 0 241.335 0.451 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@H]1CC[N@H+](CCOC)C1 ZINC000593457699 347899213 /nfs/dbraw/zinc/89/92/13/347899213.db2.gz IEFDUJZNWZDGHJ-MNOVXSKESA-N 1 0 239.319 0.373 20 30 BCEDRO N#Cc1cccc2c1CN(C(=O)NCCC[NH3+])C2 ZINC000593711663 347935654 /nfs/dbraw/zinc/93/56/54/347935654.db2.gz CIQRQOCIBHTZSA-UHFFFAOYSA-N 1 0 244.298 0.932 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)N1Cc2cccc(C#N)c2C1 ZINC000593716668 347936458 /nfs/dbraw/zinc/93/64/58/347936458.db2.gz VGEIEAPUHPICIU-SECBINFHSA-N 1 0 244.298 0.931 20 30 BCEDRO CC[C@@H](C#N)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000593730009 347937827 /nfs/dbraw/zinc/93/78/27/347937827.db2.gz ACXWHCIHTNOEIS-JTQLQIEISA-N 1 0 249.318 0.933 20 30 BCEDRO CC[C@H](C#N)C(=O)Nc1ccnn1CC[NH+](C)C ZINC000593730010 347937909 /nfs/dbraw/zinc/93/79/09/347937909.db2.gz ACXWHCIHTNOEIS-SNVBAGLBSA-N 1 0 249.318 0.933 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000593538869 347908837 /nfs/dbraw/zinc/90/88/37/347908837.db2.gz RJQMJYIVWOWSKH-GMTAPVOTSA-N 1 0 239.319 0.371 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000593670093 347925180 /nfs/dbraw/zinc/92/51/80/347925180.db2.gz JJRXMFPUTPLBQO-KYXWUPHJSA-N 1 0 207.277 0.532 20 30 BCEDRO N#CCCC1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC000593920028 347963162 /nfs/dbraw/zinc/96/31/62/347963162.db2.gz HMOOCHXQENPYMN-SNVBAGLBSA-N 1 0 235.287 0.417 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@]1(F)CCOC1 ZINC000491786267 490117730 /nfs/dbraw/zinc/11/77/30/490117730.db2.gz VVIVTYKJMDUNDZ-LBPRGKRZSA-N 1 0 242.294 0.186 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000593905167 347967971 /nfs/dbraw/zinc/96/79/71/347967971.db2.gz PSRZZZLHFUMMJM-UWVGGRQHSA-N 1 0 247.298 0.789 20 30 BCEDRO N#Cc1cccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)c1 ZINC000593906987 347968529 /nfs/dbraw/zinc/96/85/29/347968529.db2.gz UJTASVUOMARNIB-RYUDHWBXSA-N 1 0 247.273 0.988 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000593905638 347968642 /nfs/dbraw/zinc/96/86/42/347968642.db2.gz ZTUGHORHTJSSPX-UWVGGRQHSA-N 1 0 247.298 0.789 20 30 BCEDRO Cc1nc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)ccc1C#N ZINC000593908416 347969218 /nfs/dbraw/zinc/96/92/18/347969218.db2.gz PWBYWRBUALDWKO-ONGXEEELSA-N 1 0 244.298 0.823 20 30 BCEDRO C[C@H](C#N)CNC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000577409305 365947849 /nfs/dbraw/zinc/94/78/49/365947849.db2.gz UYGIBSHRTMGTAC-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO CC(C)(C#N)CCC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000577408134 365948226 /nfs/dbraw/zinc/94/82/26/365948226.db2.gz IRIMACOTXDRYQJ-LBPRGKRZSA-N 1 0 239.319 0.550 20 30 BCEDRO CCOC(=O)COCC[NH2+][C@H](CC)CC#N ZINC000594008713 347985078 /nfs/dbraw/zinc/98/50/78/347985078.db2.gz ZPPSKQQPMPWUQQ-SNVBAGLBSA-N 1 0 228.292 0.848 20 30 BCEDRO CN(C)C(=O)CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000594015985 347989621 /nfs/dbraw/zinc/98/96/21/347989621.db2.gz QYROYCWUMDEWRI-GFCCVEGCSA-N 1 0 239.319 0.205 20 30 BCEDRO C[C@@H](O)C[N@H+](CCOCCC#N)C1CC1 ZINC000594063608 347997183 /nfs/dbraw/zinc/99/71/83/347997183.db2.gz JHSUQWNBZMSDFM-SNVBAGLBSA-N 1 0 212.293 0.762 20 30 BCEDRO C[NH+](C)[C@H]1CN(Cc2ccnc(C#N)c2)C[C@@H]1O ZINC000593989403 347980532 /nfs/dbraw/zinc/98/05/32/347980532.db2.gz NLTJTQZYYPUCPD-STQMWFEESA-N 1 0 246.314 0.060 20 30 BCEDRO CC[N@H+](CCNc1ccnc(C#N)n1)C(C)C ZINC000594548075 348067524 /nfs/dbraw/zinc/06/75/24/348067524.db2.gz JCEBHIZJNZZESC-UHFFFAOYSA-N 1 0 233.319 0.912 20 30 BCEDRO C[C@H]1CC[N@H+](C)CCN1c1ccnc(C#N)n1 ZINC000594555931 348069740 /nfs/dbraw/zinc/06/97/40/348069740.db2.gz INYXSESPHLVLQQ-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(c2ccc(C#N)c(N)n2)C1 ZINC000594574976 348074463 /nfs/dbraw/zinc/07/44/63/348074463.db2.gz MOCIHIAXIHWGEY-SNVBAGLBSA-N 1 0 245.330 0.923 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3ccnc(C#N)n3)C[C@H]2C1 ZINC000594576025 348075172 /nfs/dbraw/zinc/07/51/72/348075172.db2.gz NWXGWXNRZHEPCV-AOOOYVTPSA-N 1 0 229.287 0.346 20 30 BCEDRO N#CCN1CCC([NH2+][C@@H]2CCC[C@@H]([NH3+])C2)CC1 ZINC000594583071 348077076 /nfs/dbraw/zinc/07/70/76/348077076.db2.gz UZLWGAGPTONUDB-DGCLKSJQSA-N 1 0 236.363 0.834 20 30 BCEDRO N#CCN1CCC([NH2+][C@H]2CCC[C@H]([NH3+])C2)CC1 ZINC000594583070 348077118 /nfs/dbraw/zinc/07/71/18/348077118.db2.gz UZLWGAGPTONUDB-AAEUAGOBSA-N 1 0 236.363 0.834 20 30 BCEDRO CC[C@H](COC)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594427110 348043884 /nfs/dbraw/zinc/04/38/84/348043884.db2.gz GEZLNXHIYFWPKK-GHMZBOCLSA-N 1 0 241.335 0.939 20 30 BCEDRO COC[C@@H](C)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594430705 348046012 /nfs/dbraw/zinc/04/60/12/348046012.db2.gz BEFKOSRDDLKUHE-QWRGUYRKSA-N 1 0 241.335 0.796 20 30 BCEDRO CC[C@@H](O)CCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436455 348046560 /nfs/dbraw/zinc/04/65/60/348046560.db2.gz JIKALDSQCDTPOJ-MNOVXSKESA-N 1 0 241.335 0.675 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594405249 348048039 /nfs/dbraw/zinc/04/80/39/348048039.db2.gz VNTUEDPZVUXZSA-MXWKQRLJSA-N 1 0 223.320 0.993 20 30 BCEDRO COC[C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425077 348051095 /nfs/dbraw/zinc/05/10/95/348051095.db2.gz JPTPZLHVADOQQV-UWVGGRQHSA-N 1 0 227.308 0.549 20 30 BCEDRO N#CCCCCC(=O)NCCN1CC[NH2+]CC1 ZINC000594424539 348051354 /nfs/dbraw/zinc/05/13/54/348051354.db2.gz FNNPHZSKSSYGPS-UHFFFAOYSA-N 1 0 238.335 0.092 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)NCC(F)(F)CN ZINC000594437764 348053602 /nfs/dbraw/zinc/05/36/02/348053602.db2.gz FFBCEHMAWRRDEP-QMMMGPOBSA-N 1 0 248.277 0.108 20 30 BCEDRO COCC[C@@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594437524 348053854 /nfs/dbraw/zinc/05/38/54/348053854.db2.gz LWVJAWWCDZYWPO-GHMZBOCLSA-N 1 0 241.335 0.939 20 30 BCEDRO C[C@H](O)CCN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594441848 348054863 /nfs/dbraw/zinc/05/48/63/348054863.db2.gz AEMTWENEHJQIEQ-WDEREUQCSA-N 1 0 241.335 0.627 20 30 BCEDRO CO[C@H]1CCN(C(=O)[C@@H]([NH3+])CCCCC#N)C1 ZINC000594442273 348054919 /nfs/dbraw/zinc/05/49/19/348054919.db2.gz CFAXDKOFZBPAFJ-QWRGUYRKSA-N 1 0 239.319 0.645 20 30 BCEDRO C[NH2+]CC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594452074 348058101 /nfs/dbraw/zinc/05/81/01/348058101.db2.gz IOZHAKNKWGGGRQ-UHFFFAOYSA-N 1 0 215.256 0.620 20 30 BCEDRO CO[C@@H](C)[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594456128 348059346 /nfs/dbraw/zinc/05/93/46/348059346.db2.gz JGVYNVKXGLDQEH-GARJFASQSA-N 1 0 241.335 0.937 20 30 BCEDRO CO[C@H](C[NH2+][C@@H](C)CC#N)[C@@H]1CCOC1 ZINC000594710462 348104419 /nfs/dbraw/zinc/10/44/19/348104419.db2.gz LGGHOBGSUXWEOR-HBNTYKKESA-N 1 0 212.293 0.930 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH+]1CC(CC#N)C1 ZINC000594716866 348106323 /nfs/dbraw/zinc/10/63/23/348106323.db2.gz YJBDEHYDCAKMOJ-LBPRGKRZSA-N 1 0 236.319 0.038 20 30 BCEDRO C=CCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000594718226 348106920 /nfs/dbraw/zinc/10/69/20/348106920.db2.gz KZMTYIUBPPAEDQ-NSHDSACASA-N 1 0 211.309 0.358 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594941978 348143972 /nfs/dbraw/zinc/14/39/72/348143972.db2.gz FBQAGTBSNSWCHY-KXUCPTDWSA-N 1 0 240.303 0.076 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594944223 348144945 /nfs/dbraw/zinc/14/49/45/348144945.db2.gz RRVXUFOHHCYUCO-GMTAPVOTSA-N 1 0 227.304 0.976 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000595089739 348191091 /nfs/dbraw/zinc/19/10/91/348191091.db2.gz KEMFFJLIJBHYLD-AXFHLTTASA-N 1 0 221.304 0.937 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000595092653 348192779 /nfs/dbraw/zinc/19/27/79/348192779.db2.gz YPPYCUPTDRXDKK-AEJSXWLSSA-N 1 0 207.277 0.547 20 30 BCEDRO C=CCCSCCNC(=O)C1([NH3+])CC1 ZINC000595257843 348204469 /nfs/dbraw/zinc/20/44/69/348204469.db2.gz YVOWOFMITBMMCM-UHFFFAOYSA-N 1 0 214.334 0.903 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)NCCc1ccoc1 ZINC000595256603 348204522 /nfs/dbraw/zinc/20/45/22/348204522.db2.gz OYPXLLVIYGBFDY-NSHDSACASA-N 1 0 235.287 0.959 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000595260299 348206319 /nfs/dbraw/zinc/20/63/19/348206319.db2.gz ZGQKHSLZXKEAQU-JTQLQIEISA-N 1 0 225.292 0.326 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)NCC1(CC#N)CC1 ZINC000595262321 348207106 /nfs/dbraw/zinc/20/71/06/348207106.db2.gz BJDKNICDCRJODZ-SECBINFHSA-N 1 0 224.308 0.587 20 30 BCEDRO C=CCCSCCNC(=O)NC[C@H](C)[NH3+] ZINC000595265159 348207724 /nfs/dbraw/zinc/20/77/24/348207724.db2.gz KUPKEJSMZABTCP-VIFPVBQESA-N 1 0 231.365 0.942 20 30 BCEDRO CC[C@H]([NH3+])CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595272247 348209693 /nfs/dbraw/zinc/20/96/93/348209693.db2.gz ADPGFYMWEKUNPI-ONGXEEELSA-N 1 0 224.308 0.669 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000595274520 348210689 /nfs/dbraw/zinc/21/06/89/348210689.db2.gz RYGNTCNCECGNIV-XNDJQWLSSA-N 1 0 234.303 0.149 20 30 BCEDRO CC1(C#N)CC[NH+](CCc2c[nH]nn2)CC1 ZINC000595433336 348249884 /nfs/dbraw/zinc/24/98/84/348249884.db2.gz YUPDFLBMRMYHQT-UHFFFAOYSA-N 1 0 219.292 0.973 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN1CC[C@](F)(C#N)C1 ZINC000595457710 348255112 /nfs/dbraw/zinc/25/51/12/348255112.db2.gz ZUFKHQPQTRIARW-RYUDHWBXSA-N 1 0 243.326 0.625 20 30 BCEDRO C#CCNN=C1CC[NH+](CC(C)(C)O)CC1 ZINC000491692431 362856681 /nfs/dbraw/zinc/85/66/81/362856681.db2.gz RDYZFCMCAIRYPM-UHFFFAOYSA-N 1 0 223.320 0.432 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)CCc1ccc(C#N)cc1 ZINC000595489009 348261537 /nfs/dbraw/zinc/26/15/37/348261537.db2.gz IZEWALAEHJUNKZ-LBPRGKRZSA-N 1 0 248.326 0.776 20 30 BCEDRO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623943 348292247 /nfs/dbraw/zinc/29/22/47/348292247.db2.gz ZHKPIFCNHDATST-JQWIXIFHSA-N 1 0 240.303 0.536 20 30 BCEDRO COC[C@]1(CO)CC[N@H+](CCCC#N)C1 ZINC000595525349 348270733 /nfs/dbraw/zinc/27/07/33/348270733.db2.gz DPDFSRFVPFHFOD-LLVKDONJSA-N 1 0 212.293 0.621 20 30 BCEDRO C=CC[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NC(N)=O ZINC000595601619 348286389 /nfs/dbraw/zinc/28/63/89/348286389.db2.gz DIFZVEXEYLXGTF-ZJUUUORDSA-N 1 0 239.319 0.906 20 30 BCEDRO N#CC1(C[N@@H+]2CC[C@H](Cn3ccnn3)C2)CC1 ZINC000595607236 348286782 /nfs/dbraw/zinc/28/67/82/348286782.db2.gz JNZBTHNFYARFQK-NSHDSACASA-N 1 0 231.303 0.904 20 30 BCEDRO N#CC[C@@H]1CCC[N@H+](CCc2c[nH]nn2)C1 ZINC000595623926 348291949 /nfs/dbraw/zinc/29/19/49/348291949.db2.gz YXBZHRNOUBYRRJ-JTQLQIEISA-N 1 0 219.292 0.973 20 30 BCEDRO C[C@H]1c2ccccc2C[C@H]1[NH2+]CC(=O)NCC#N ZINC000595706175 348308073 /nfs/dbraw/zinc/30/80/73/348308073.db2.gz IATYSGRCLDSYGK-GXFFZTMASA-N 1 0 243.310 0.944 20 30 BCEDRO C[C@H]1CCC[N@H+](CC(=O)NCC#N)[C@H]1CCO ZINC000595706058 348308646 /nfs/dbraw/zinc/30/86/46/348308646.db2.gz XDSXFWOGCZDTEK-QWRGUYRKSA-N 1 0 239.319 0.109 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN([C@H](C)C#N)C1CC1 ZINC000595710503 348322538 /nfs/dbraw/zinc/32/25/38/348322538.db2.gz RZLMEALPDMMTPG-PWSUYJOCSA-N 1 0 225.336 0.675 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NC(N)=O ZINC000595840778 348375361 /nfs/dbraw/zinc/37/53/61/348375361.db2.gz FCTQFZGSXKPZEJ-DTORHVGOSA-N 1 0 223.276 0.364 20 30 BCEDRO C[C@@]1(C#N)CC[N@H+](C[C@@]2(O)CCCOC2)C1 ZINC000595842128 348376657 /nfs/dbraw/zinc/37/66/57/348376657.db2.gz PREDTKOAGIFYJP-RYUDHWBXSA-N 1 0 224.304 0.763 20 30 BCEDRO C=CCNC(=O)CN[C@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623487260 362911614 /nfs/dbraw/zinc/91/16/14/362911614.db2.gz YXBYUCBPMLWXIF-NSHDSACASA-N 1 0 239.363 0.751 20 30 BCEDRO CCC[N@H+](C)CC(C)(C)NCC(=O)NCC#N ZINC000595874090 348387256 /nfs/dbraw/zinc/38/72/56/348387256.db2.gz SRTWGSUQQPFDMZ-UHFFFAOYSA-N 1 0 240.351 0.336 20 30 BCEDRO CCN(C[C@H](O)C[N@H+](C)CCOC)[C@@H](C)C#N ZINC000595819635 348360131 /nfs/dbraw/zinc/36/01/31/348360131.db2.gz DIVKSOXDRUQJMF-NWDGAFQWSA-N 1 0 243.351 0.159 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000669012577 490166110 /nfs/dbraw/zinc/16/61/10/490166110.db2.gz GIOAAFWYVLRNLV-WDEREUQCSA-N 1 0 226.320 0.332 20 30 BCEDRO C=CCCSCCNC(=O)C[C@@H](C[NH3+])OC ZINC000595939835 348409503 /nfs/dbraw/zinc/40/95/03/348409503.db2.gz MHEMGZSYEGIHEY-JTQLQIEISA-N 1 0 246.376 0.776 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@H]2CCCC[NH2+]2)C1 ZINC000595979698 348414375 /nfs/dbraw/zinc/41/43/75/348414375.db2.gz CLWJYWCHDJKHDU-PWSUYJOCSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)C(=O)N1CC[C@](C)(C#N)C1 ZINC000595980692 348414936 /nfs/dbraw/zinc/41/49/36/348414936.db2.gz JAMACFFJLWUBPQ-ATZCPNFKSA-N 1 0 209.293 0.732 20 30 BCEDRO CO[C@H](C[NH3+])CC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595980385 348415063 /nfs/dbraw/zinc/41/50/63/348415063.db2.gz HDXKZZLZGRPBHU-ONGXEEELSA-N 1 0 225.292 0.112 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000595980108 348415275 /nfs/dbraw/zinc/41/52/75/348415275.db2.gz FTAVDUNTMZAIFN-WCABBAIRSA-N 1 0 207.277 0.486 20 30 BCEDRO CC[C@H]([NH2+]C)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595981096 348415713 /nfs/dbraw/zinc/41/57/13/348415713.db2.gz MMOKNYHTCWKBDB-ONGXEEELSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@@H]1C(=O)N1CC[C@](C)(C#N)C1 ZINC000595980747 348415740 /nfs/dbraw/zinc/41/57/40/348415740.db2.gz JUYNWCFNLLVYKC-JBLDHEPKSA-N 1 0 221.304 0.747 20 30 BCEDRO CC(C)(C[NH3+])C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595980755 348415950 /nfs/dbraw/zinc/41/59/50/348415950.db2.gz JYNVOOWDEWEGRW-NSHDSACASA-N 1 0 209.293 0.733 20 30 BCEDRO CC(C)[NH2+]CC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595981855 348416544 /nfs/dbraw/zinc/41/65/44/348416544.db2.gz QUSZXAQYWABGAD-NSHDSACASA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)CC2([NH3+])CC2)C1 ZINC000595982033 348417586 /nfs/dbraw/zinc/41/75/86/348417586.db2.gz RJIGGOHENZKTJC-JTQLQIEISA-N 1 0 207.277 0.630 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C[C@@H]2CC[NH2+]C2)C1 ZINC000595982860 348418082 /nfs/dbraw/zinc/41/80/82/348418082.db2.gz YFKLDUNIGNPFMB-JQWIXIFHSA-N 1 0 221.304 0.748 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000595983103 348418339 /nfs/dbraw/zinc/41/83/39/348418339.db2.gz YGRUJMDBEOFCJV-LLVKDONJSA-N 1 0 207.277 0.501 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@H]2CCC[NH2+]2)C1 ZINC000595982845 348418430 /nfs/dbraw/zinc/41/84/30/348418430.db2.gz XYRKWIQDKUQRTO-KOLCDFICSA-N 1 0 207.277 0.501 20 30 BCEDRO C=C1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000264500092 187397873 /nfs/dbraw/zinc/39/78/73/187397873.db2.gz VJFSXXINUNJJGC-LBPRGKRZSA-N 1 0 221.304 0.896 20 30 BCEDRO CC[C@@H]([NH3+])CNC(=O)CC1(C#N)CCOCC1 ZINC000595931956 348392963 /nfs/dbraw/zinc/39/29/63/348392963.db2.gz ISVVYZYUAMQLOD-SNVBAGLBSA-N 1 0 239.319 0.550 20 30 BCEDRO CC[C@H]([NH3+])CNC(=O)CC1(C#N)CCOCC1 ZINC000595931951 348393037 /nfs/dbraw/zinc/39/30/37/348393037.db2.gz ISVVYZYUAMQLOD-JTQLQIEISA-N 1 0 239.319 0.550 20 30 BCEDRO C=CC[C@]1(C(=O)NCCC(=O)OC)CCC[NH2+]1 ZINC000595931704 348393173 /nfs/dbraw/zinc/39/31/73/348393173.db2.gz ZTDYXIWUIXELBC-GFCCVEGCSA-N 1 0 240.303 0.364 20 30 BCEDRO COC(=O)c1ccc(N[C@@H](C)[C@H](C)[NH3+])c(C#N)n1 ZINC000596013615 348430056 /nfs/dbraw/zinc/43/00/56/348430056.db2.gz ILGUTUODLFKKFR-YUMQZZPRSA-N 1 0 248.286 0.887 20 30 BCEDRO N#Cc1ccc(N2CC[C@H]3CC[NH2+][C@@H]3C2)nc1N ZINC000596015618 348430390 /nfs/dbraw/zinc/43/03/90/348430390.db2.gz FPDHYXOAMBFICL-MWLCHTKSSA-N 1 0 243.314 0.724 20 30 BCEDRO C[NH+](C)C[C@@H](CO)Nc1ncc(C#N)cc1F ZINC000596244999 348485838 /nfs/dbraw/zinc/48/58/38/348485838.db2.gz UHXOCYVYICLMCK-VIFPVBQESA-N 1 0 238.266 0.427 20 30 BCEDRO CC[N@@H+]1CCCN(c2c(C#N)cnn2C)CC1 ZINC000596119752 348442985 /nfs/dbraw/zinc/44/29/85/348442985.db2.gz ODRDWWUDDROXCD-UHFFFAOYSA-N 1 0 233.319 0.824 20 30 BCEDRO Cn1ncc(C#N)c1N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596093037 348444939 /nfs/dbraw/zinc/44/49/39/348444939.db2.gz ZYXYIMJPLDKHIX-SNVBAGLBSA-N 1 0 231.303 0.940 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(c2cc(C#N)cnn2)C1 ZINC000596126646 348445994 /nfs/dbraw/zinc/44/59/94/348445994.db2.gz NWOHHCDBJWJMFC-SNVBAGLBSA-N 1 0 231.303 0.736 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3cc(C#N)cnn3)C[C@H]2C1 ZINC000596213948 348467470 /nfs/dbraw/zinc/46/74/70/348467470.db2.gz LLJYGMONPJMDLW-PHIMTYICSA-N 1 0 229.287 0.346 20 30 BCEDRO CN(CC1C[NH+](C)C1)c1cncc(C#N)n1 ZINC000596452080 348551856 /nfs/dbraw/zinc/55/18/56/348551856.db2.gz BKGDKGAGDWIFRB-UHFFFAOYSA-N 1 0 217.276 0.346 20 30 BCEDRO CN(CC1C[NH+](C)C1)c1ccc(C#N)nc1 ZINC000596455047 348541830 /nfs/dbraw/zinc/54/18/30/348541830.db2.gz ZAPRWYGJWHZMRH-UHFFFAOYSA-N 1 0 216.288 0.951 20 30 BCEDRO C=C[C@H]1CCCCN1C(=O)C(=O)NCCC[NH3+] ZINC000419828268 192146877 /nfs/dbraw/zinc/14/68/77/192146877.db2.gz CHOWVRHILXZSTB-JTQLQIEISA-N 1 0 239.319 0.019 20 30 BCEDRO C=CCCCCNC(=O)C(=O)NCCC[NH2+]C ZINC000419849270 192147714 /nfs/dbraw/zinc/14/77/14/192147714.db2.gz XHXWXDBXHVFHLL-UHFFFAOYSA-N 1 0 241.335 0.185 20 30 BCEDRO CN(CC1C[NH+](C)C1)c1cc(C#N)ccn1 ZINC000596452448 348551594 /nfs/dbraw/zinc/55/15/94/348551594.db2.gz DMJQBXVFMKXGEZ-UHFFFAOYSA-N 1 0 216.288 0.951 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC[C@H](C)[NH+](C)C ZINC000596549654 348585581 /nfs/dbraw/zinc/58/55/81/348585581.db2.gz IVBHPIVOUXCULR-ZJUUUORDSA-N 1 0 226.324 0.785 20 30 BCEDRO C[C@H](CC#N)C(=O)NC1CC[NH+](C)CC1 ZINC000596671711 348602171 /nfs/dbraw/zinc/60/21/71/348602171.db2.gz JZAIQNIKJHQSHK-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H](CC#N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000597042978 348649875 /nfs/dbraw/zinc/64/98/75/348649875.db2.gz IKYUDOSZQZFRDJ-SNVBAGLBSA-N 1 0 249.318 0.933 20 30 BCEDRO C[C@H](CC#N)C(=O)NCC1CC[NH+](C)CC1 ZINC000597054064 348653621 /nfs/dbraw/zinc/65/36/21/348653621.db2.gz OACFPSGUHPOUJI-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO COC(=O)[C@@H]1C[C@@H]1[C@@H](C)[NH2+]C[C@H](C)C#N ZINC000597084382 348655459 /nfs/dbraw/zinc/65/54/59/348655459.db2.gz YZEUUKFVWKPSGB-ZYUZMQFOSA-N 1 0 210.277 0.933 20 30 BCEDRO COCC[N@H+](C)CCNC(=O)[C@@H](C)CC#N ZINC000597087424 348656872 /nfs/dbraw/zinc/65/68/72/348656872.db2.gz BEBKVFAGXIVXBD-JTQLQIEISA-N 1 0 227.308 0.231 20 30 BCEDRO C=CCN(C)C(=O)C(=O)N[C@H](C[NH3+])CCCC ZINC000420143709 192162708 /nfs/dbraw/zinc/16/27/08/192162708.db2.gz KHJQSXDAOKXBMB-JTQLQIEISA-N 1 0 241.335 0.265 20 30 BCEDRO C[NH+](C)C1(C(=O)NCCCCC#N)CC1 ZINC000597150750 348665470 /nfs/dbraw/zinc/66/54/70/348665470.db2.gz WXJNYFUKEXSTKP-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C[C@@H](CC#N)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000597162378 348667312 /nfs/dbraw/zinc/66/73/12/348667312.db2.gz IRMFUORNVWJJPI-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCCCN(C)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420066938 192158672 /nfs/dbraw/zinc/15/86/72/192158672.db2.gz ZZAVGZVANONZJQ-UHFFFAOYSA-N 1 0 241.335 0.265 20 30 BCEDRO C[C@H](CC#N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000596855286 348627764 /nfs/dbraw/zinc/62/77/64/348627764.db2.gz TZAGDJWIDXOEJI-KOLCDFICSA-N 1 0 223.320 0.993 20 30 BCEDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@H](C)CC#N)C1 ZINC000596885308 348628777 /nfs/dbraw/zinc/62/87/77/348628777.db2.gz UMSCDZLTLRQTOW-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000597338054 348719675 /nfs/dbraw/zinc/71/96/75/348719675.db2.gz QFXKUHYKVXIDEE-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H](CC#N)C(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000597179192 348680826 /nfs/dbraw/zinc/68/08/26/348680826.db2.gz HMGNLFJVWYARIQ-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO N#Cc1nccc(NC2CC[NH2+]CC2)n1 ZINC000308808899 348696473 /nfs/dbraw/zinc/69/64/73/348696473.db2.gz GPPLPIRKESOSJE-UHFFFAOYSA-N 1 0 203.249 0.512 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cn(C)nc1C ZINC000184281497 348787458 /nfs/dbraw/zinc/78/74/58/348787458.db2.gz BUEVSVCWBKNLAM-NSHDSACASA-N 1 0 209.293 0.755 20 30 BCEDRO C#CCN1CC[NH+](C[C@@H](O)c2ccccc2)CC1 ZINC000264305964 192373429 /nfs/dbraw/zinc/37/34/29/192373429.db2.gz XKHQGLSRMZAXAF-OAHLLOKOSA-N 1 0 244.338 0.971 20 30 BCEDRO C=CCOCC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000421703216 192374556 /nfs/dbraw/zinc/37/45/56/192374556.db2.gz LWQXCRIDIQBOIB-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO CC[C@H](C(=O)N[C@H](C#N)CO)[NH+](CC)CC ZINC000597747771 348812629 /nfs/dbraw/zinc/81/26/29/348812629.db2.gz SMVGEMFIMDVMHA-NXEZZACHSA-N 1 0 227.308 0.107 20 30 BCEDRO C[C@H](CC#N)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000597992436 348851948 /nfs/dbraw/zinc/85/19/48/348851948.db2.gz LEYSTJBZWNQACQ-NXEZZACHSA-N 1 0 211.309 0.993 20 30 BCEDRO CC[C@@H](C(=O)N1CC(CC#N)C1)[NH+](C)C ZINC000598033031 348867336 /nfs/dbraw/zinc/86/73/36/348867336.db2.gz PJXTUXCFRMTTMU-JTQLQIEISA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@H](C#N)N(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000598128688 348894196 /nfs/dbraw/zinc/89/41/96/348894196.db2.gz OGWNFDOBQVZSED-KOLCDFICSA-N 1 0 221.304 0.984 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)C1(C#N)CCC1 ZINC000598164765 348907617 /nfs/dbraw/zinc/90/76/17/348907617.db2.gz WBQRVGQJFSFOGB-UHFFFAOYSA-N 1 0 221.304 0.700 20 30 BCEDRO CC[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1O ZINC000598598453 348991983 /nfs/dbraw/zinc/99/19/83/348991983.db2.gz FOLFNIWGIVNOMH-IJLUTSLNSA-N 1 0 240.347 0.990 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000669128830 490215308 /nfs/dbraw/zinc/21/53/08/490215308.db2.gz OFOWBYNMLKRAKV-VWYCJHECSA-N 1 0 226.320 0.474 20 30 BCEDRO CC(C)[C@@H]1CN(C(=O)CSCC#N)CC[NH2+]1 ZINC000598577008 348994143 /nfs/dbraw/zinc/99/41/43/348994143.db2.gz ZLJKGURWRJJBRH-JTQLQIEISA-N 1 0 241.360 0.700 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598576606 348994190 /nfs/dbraw/zinc/99/41/90/348994190.db2.gz XPESPOQHNIZJJM-MNOVXSKESA-N 1 0 223.320 0.993 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH+]1CCC(O)CC1 ZINC000598586890 348995621 /nfs/dbraw/zinc/99/56/21/348995621.db2.gz GCLAKUXVLLDBFM-NSHDSACASA-N 1 0 226.320 0.744 20 30 BCEDRO CC[N@H+](CCO)C[C@@H](O)CC(C)(C)C#N ZINC000598589229 348996640 /nfs/dbraw/zinc/99/66/40/348996640.db2.gz HAHPXUNFCXRKEW-JTQLQIEISA-N 1 0 214.309 0.601 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000598615080 349000828 /nfs/dbraw/zinc/00/08/28/349000828.db2.gz SOHPQMVMYKDOCW-MNOVXSKESA-N 1 0 240.347 0.990 20 30 BCEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)C1(CO)CC1 ZINC000598616205 349001164 /nfs/dbraw/zinc/00/11/64/349001164.db2.gz KKEHABFOCPXYGA-SNVBAGLBSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@H](O)[C@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598604295 349006128 /nfs/dbraw/zinc/00/61/28/349006128.db2.gz QFUDTZAMCSJZGN-SDDRHHMPSA-N 1 0 240.347 0.990 20 30 BCEDRO COC(=O)[C@@H](C)N(C)C[C@@H](O)CC(C)(C)C#N ZINC000598610575 349006974 /nfs/dbraw/zinc/00/69/74/349006974.db2.gz IANQNIKIIJGAGQ-ZJUUUORDSA-N 1 0 242.319 0.780 20 30 BCEDRO C[C@@H]1CC[N@H+](CCOCCC#N)C[C@@H]1CO ZINC000598645501 349009691 /nfs/dbraw/zinc/00/96/91/349009691.db2.gz FMSWOVHZDRPGPU-VXGBXAGGSA-N 1 0 226.320 0.867 20 30 BCEDRO CN1CCC([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598715092 349025729 /nfs/dbraw/zinc/02/57/29/349025729.db2.gz MNTAYQGVDCXOSD-LBPRGKRZSA-N 1 0 239.363 0.971 20 30 BCEDRO CN1CCC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598722289 349028216 /nfs/dbraw/zinc/02/82/16/349028216.db2.gz ZYBPIHSQOXLLFT-NWDGAFQWSA-N 1 0 239.363 0.971 20 30 BCEDRO COC[C@H](O)CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598729344 349031145 /nfs/dbraw/zinc/03/11/45/349031145.db2.gz IUYKRJWZVQHUGV-MNOVXSKESA-N 1 0 244.335 0.274 20 30 BCEDRO COC[C@@H](CCO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598729219 349031526 /nfs/dbraw/zinc/03/15/26/349031526.db2.gz HLIBAEDFRAIOEN-MNOVXSKESA-N 1 0 244.335 0.274 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCOCCF ZINC000598729495 349031897 /nfs/dbraw/zinc/03/18/97/349031897.db2.gz KLOMFQYEFVEDRQ-JTQLQIEISA-N 1 0 232.299 0.863 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCOCCF ZINC000598729496 349032008 /nfs/dbraw/zinc/03/20/08/349032008.db2.gz KLOMFQYEFVEDRQ-SNVBAGLBSA-N 1 0 232.299 0.863 20 30 BCEDRO C[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730228 349032651 /nfs/dbraw/zinc/03/26/51/349032651.db2.gz SBNTTYDEJFSDNX-BDAKNGLRSA-N 1 0 200.282 0.258 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@@H]1CCC[C@H]1O ZINC000598730343 349032739 /nfs/dbraw/zinc/03/27/39/349032739.db2.gz UEAJRDCYCAMHES-HBNTYKKESA-N 1 0 226.320 0.790 20 30 BCEDRO C[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730231 349032793 /nfs/dbraw/zinc/03/27/93/349032793.db2.gz SBNTTYDEJFSDNX-RKDXNWHRSA-N 1 0 200.282 0.258 20 30 BCEDRO CC(C)[C@@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730449 349032862 /nfs/dbraw/zinc/03/28/62/349032862.db2.gz VRURLPLZYXHQJC-QWRGUYRKSA-N 1 0 228.336 0.894 20 30 BCEDRO C[C@@H](CO)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598700158 349033194 /nfs/dbraw/zinc/03/31/94/349033194.db2.gz LNBZSHGUAQVZMW-ZJUUUORDSA-N 1 0 214.309 0.505 20 30 BCEDRO CCOCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598700001 349033472 /nfs/dbraw/zinc/03/34/72/349033472.db2.gz KFKYVCVZUVHDIM-SNVBAGLBSA-N 1 0 214.309 0.913 20 30 BCEDRO Cn1cc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)cn1 ZINC000598700651 349034256 /nfs/dbraw/zinc/03/42/56/349034256.db2.gz FBTOUERFVWFGHU-NSHDSACASA-N 1 0 236.319 0.810 20 30 BCEDRO Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)cc(C#N)n1 ZINC000599176749 349107121 /nfs/dbraw/zinc/10/71/21/349107121.db2.gz WNFJVSYDFIWJEN-CYBMUJFWSA-N 1 0 246.314 0.740 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000599093281 349092073 /nfs/dbraw/zinc/09/20/73/349092073.db2.gz OIPFYQZLTIEGGD-WOPDTQHZSA-N 1 0 223.320 0.335 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000599079803 349096032 /nfs/dbraw/zinc/09/60/32/349096032.db2.gz PDIUDVPEGJCDIN-UPJWGTAASA-N 1 0 237.347 0.989 20 30 BCEDRO Cc1ccc(C#N)nc1NCC[N@@H+]1CC[C@@H](O)C1 ZINC000599175633 349103562 /nfs/dbraw/zinc/10/35/62/349103562.db2.gz FSSJEWQLXNVDFF-GFCCVEGCSA-N 1 0 246.314 0.740 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N2CCCC2=O)C1 ZINC000270990672 192381449 /nfs/dbraw/zinc/38/14/49/192381449.db2.gz YABUSYLPAADTTE-LLVKDONJSA-N 1 0 206.289 0.706 20 30 BCEDRO N#Cc1ccnc(NCC[N@H+]2CC[C@H](O)C2)c1 ZINC000599200101 349117532 /nfs/dbraw/zinc/11/75/32/349117532.db2.gz WRSRCCSYUSHPFF-NSHDSACASA-N 1 0 232.287 0.432 20 30 BCEDRO CC[C@@H]1CN(c2ncncc2C#N)C[C@H](C)[NH2+]1 ZINC000599178857 349121398 /nfs/dbraw/zinc/12/13/98/349121398.db2.gz LBWCMJNJWSALLN-GXSJLCMTSA-N 1 0 231.303 0.925 20 30 BCEDRO C[C@H](O)CC[N@H+](C)C[C@@H](O)CC1(C#N)CC1 ZINC000599299735 349141334 /nfs/dbraw/zinc/14/13/34/349141334.db2.gz JKAKMOWKESDDCT-QWRGUYRKSA-N 1 0 226.320 0.744 20 30 BCEDRO Cc1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1C#N ZINC000599304754 349141889 /nfs/dbraw/zinc/14/18/89/349141889.db2.gz OEQGGUXYQYPKTF-OKILXGFUSA-N 1 0 246.310 0.794 20 30 BCEDRO COC[C@](C)(O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308944625 349178860 /nfs/dbraw/zinc/17/88/60/349178860.db2.gz NFUKTMIRMNTPOV-GMTAPVOTSA-N 1 0 212.293 0.666 20 30 BCEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]CC(=O)NCC#N ZINC000599624016 349230792 /nfs/dbraw/zinc/23/07/92/349230792.db2.gz JDXFVKRNDAMEMX-WYOJIJJFSA-N 1 0 225.292 0.028 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000599633490 349236953 /nfs/dbraw/zinc/23/69/53/349236953.db2.gz RDRUUDSRGFTXKD-KZTGVZKYSA-N 1 0 243.372 0.909 20 30 BCEDRO C[C@]12CCCC[C@H]1C[N@@H+]2CC(=O)NCC#N ZINC000599675607 349242093 /nfs/dbraw/zinc/24/20/93/349242093.db2.gz SJLHSMVYEKUTLA-JQWIXIFHSA-N 1 0 221.304 0.891 20 30 BCEDRO N#CCCCC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000599664455 349247351 /nfs/dbraw/zinc/24/73/51/349247351.db2.gz NTBSWVSBXSYHKK-JTQLQIEISA-N 1 0 225.292 0.256 20 30 BCEDRO C[N@@H+]1CCN(CCOCCC#N)CC1(C)C ZINC000385299849 349268187 /nfs/dbraw/zinc/26/81/87/349268187.db2.gz KBPKXUDIMHRTQD-UHFFFAOYSA-N 1 0 225.336 0.943 20 30 BCEDRO C[C@@H]1CC[C@@H](NC(=O)NCC2(C#N)CC2)C[NH2+]1 ZINC000599916100 349270771 /nfs/dbraw/zinc/27/07/71/349270771.db2.gz IYEHCQVKWLIOLS-NXEZZACHSA-N 1 0 236.319 0.730 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)c3cc(C#N)c[nH]3)C[C@H]21 ZINC000599999992 349279193 /nfs/dbraw/zinc/27/91/93/349279193.db2.gz IYMFXZLIRANRRR-IAZYJMLFSA-N 1 0 244.298 0.518 20 30 BCEDRO COCCN1CC[C@@H]([NH2+]C[C@H](C)C#N)C1 ZINC000309055253 323221074 /nfs/dbraw/zinc/22/10/74/323221074.db2.gz UBVNLSVGLROHMO-GHMZBOCLSA-N 1 0 211.309 0.456 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H]([NH3+])CC(F)F ZINC000309046327 349402480 /nfs/dbraw/zinc/40/24/80/349402480.db2.gz NJSXDMLKUFUMTN-BQBZGAKWSA-N 1 0 219.235 0.729 20 30 BCEDRO C[C@](O)(C[C@@H](O)C[NH2+]CCCC#N)C1CC1 ZINC000601967720 349404739 /nfs/dbraw/zinc/40/47/39/349404739.db2.gz XKUBRSXVTXPJKB-NEPJUHHUSA-N 1 0 226.320 0.792 20 30 BCEDRO C[C@](O)(C[C@H](O)C[NH2+]CC1(C#N)CC1)C1CC1 ZINC000601967645 349404925 /nfs/dbraw/zinc/40/49/25/349404925.db2.gz VRQDTVLXQAQSEY-RYUDHWBXSA-N 1 0 238.331 0.792 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC(C)(C)F ZINC000601968075 349405099 /nfs/dbraw/zinc/40/50/99/349405099.db2.gz LREAAYFSMQZWQV-SNVBAGLBSA-N 1 0 231.315 0.530 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC(C)(C)F ZINC000601968074 349405128 /nfs/dbraw/zinc/40/51/28/349405128.db2.gz LREAAYFSMQZWQV-JTQLQIEISA-N 1 0 231.315 0.530 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCC[C@@H]2O)CC1 ZINC000601968693 349405532 /nfs/dbraw/zinc/40/55/32/349405532.db2.gz MJWFVXWCYGKOOT-VWYCJHECSA-N 1 0 224.304 0.544 20 30 BCEDRO N#CCN1CCC[N@H+](C[C@H]2CCCO2)CC1 ZINC000603847914 350043873 /nfs/dbraw/zinc/04/38/73/350043873.db2.gz CVTYCQQQIPCZGS-GFCCVEGCSA-N 1 0 223.320 0.697 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000390804271 350101933 /nfs/dbraw/zinc/10/19/33/350101933.db2.gz WLZMJCCDRLIATE-KXUCPTDWSA-N 1 0 209.293 0.697 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000390804272 350102008 /nfs/dbraw/zinc/10/20/08/350102008.db2.gz WLZMJCCDRLIATE-OPRDCNLKSA-N 1 0 209.293 0.697 20 30 BCEDRO CC[C@@H](CC#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000132070324 191024575 /nfs/dbraw/zinc/02/45/75/191024575.db2.gz TWBMOPMBPVIAPR-VHSXEESVSA-N 1 0 209.293 0.889 20 30 BCEDRO CC[C@@](C)([NH2+]CCCSCC#N)C(N)=O ZINC000133130602 191038076 /nfs/dbraw/zinc/03/80/76/191038076.db2.gz RQRYVDXUBCXHDZ-SNVBAGLBSA-N 1 0 229.349 0.877 20 30 BCEDRO C=CCN(C)C(=O)CCN1CC[NH+](CC)CC1 ZINC000428282368 191075102 /nfs/dbraw/zinc/07/51/02/191075102.db2.gz WGHUBPSAAMBIGN-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO CCC[C@H](C#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000386229702 362952351 /nfs/dbraw/zinc/95/23/51/362952351.db2.gz LYUPCZPEHTYHHQ-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H](C#N)NC(=O)CC1CC[NH+](C)CC1 ZINC000347043843 133804028 /nfs/dbraw/zinc/80/40/28/133804028.db2.gz MTWDNLSILIAYMX-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C=C(CC)CNC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000637205683 350272450 /nfs/dbraw/zinc/27/24/50/350272450.db2.gz KXQQMZZGLFVEGS-LLVKDONJSA-N 1 0 241.335 0.318 20 30 BCEDRO N#Cc1cc2c(nc1N1CC[C@@H]([NH3+])C1)CCC2 ZINC000050244334 350316396 /nfs/dbraw/zinc/31/63/96/350316396.db2.gz VTSPPQALLZBBOH-LLVKDONJSA-N 1 0 228.299 0.979 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cnc(N(C)C)n1C ZINC000320934838 323326769 /nfs/dbraw/zinc/32/67/69/323326769.db2.gz FFIYLAGYRBKNSY-JTQLQIEISA-N 1 0 238.335 0.513 20 30 BCEDRO C#CCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@H]2C1 ZINC000365547262 350343591 /nfs/dbraw/zinc/34/35/91/350343591.db2.gz NNFKGIUJDXYCFT-AVGNSLFASA-N 1 0 247.342 0.745 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1ncccc1N(C)C ZINC000262412426 535124413 /nfs/dbraw/zinc/12/44/13/535124413.db2.gz XWYULTQAJWUPLV-UHFFFAOYSA-N 1 0 235.335 0.960 20 30 BCEDRO C[C@H]1C[C@@H](Nc2cc(C#N)ncn2)CC[NH2+]1 ZINC000309379589 350361418 /nfs/dbraw/zinc/36/14/18/350361418.db2.gz CSPYJHZZLWLUCN-IUCAKERBSA-N 1 0 217.276 0.901 20 30 BCEDRO CCN1CCO[C@@H](C(=O)NC2(C#N)CCC2)C1 ZINC000365630856 350407732 /nfs/dbraw/zinc/40/77/32/350407732.db2.gz LHVYLKFBECOCMC-SNVBAGLBSA-N 1 0 237.303 0.270 20 30 BCEDRO C[N@H+](CCCO)CCCSCC#N ZINC000336645075 350414219 /nfs/dbraw/zinc/41/42/19/350414219.db2.gz UQKPDKLLWMGKPF-UHFFFAOYSA-N 1 0 202.323 0.947 20 30 BCEDRO C=CCCC[N@@H+](C)CCN1CCCS1(=O)=O ZINC000336659635 350422990 /nfs/dbraw/zinc/42/29/90/350422990.db2.gz ADNZIRNICFGASX-UHFFFAOYSA-N 1 0 246.376 0.920 20 30 BCEDRO C[N@H+](CCCSCC#N)CCOCCO ZINC000336697311 350452456 /nfs/dbraw/zinc/45/24/56/350452456.db2.gz NYJAUITWQKHERO-UHFFFAOYSA-N 1 0 232.349 0.574 20 30 BCEDRO Cn1nnnc1CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000618571432 350491956 /nfs/dbraw/zinc/49/19/56/350491956.db2.gz PIKIRGBUUJORAV-ZJUUUORDSA-N 1 0 234.307 0.425 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)C(C)C)C1=O ZINC000336747850 350496982 /nfs/dbraw/zinc/49/69/82/350496982.db2.gz SHHYFBFUOAEJPU-QWRGUYRKSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+](C)CCCCO ZINC000276349467 166327686 /nfs/dbraw/zinc/32/76/86/166327686.db2.gz IMBYGLIGDTYCPI-UHFFFAOYSA-N 1 0 240.347 0.891 20 30 BCEDRO C[C@@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC#N ZINC000094460696 350583062 /nfs/dbraw/zinc/58/30/62/350583062.db2.gz JNVQVYBTMLNWCD-NXEZZACHSA-N 1 0 207.277 0.595 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CC[C@@H](C)O)CC1 ZINC000491408786 490687219 /nfs/dbraw/zinc/68/72/19/490687219.db2.gz WVGOSDHOOMKPPB-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C=CC[N@H+]1CCCN(CC(=O)NC(C)C)CC1 ZINC000051707332 350772723 /nfs/dbraw/zinc/77/27/23/350772723.db2.gz QPQLPGIJPDUCTM-UHFFFAOYSA-N 1 0 239.363 0.705 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1cnnn1C)C(C)(C)C ZINC000290178524 350928618 /nfs/dbraw/zinc/92/86/18/350928618.db2.gz NNTMCAOHJKVLFY-SNVBAGLBSA-N 1 0 206.293 0.953 20 30 BCEDRO C#CC[NH2+][C@@H](C(N)=O)[C@H](C)c1ccccc1 ZINC000292380972 350958865 /nfs/dbraw/zinc/95/88/65/350958865.db2.gz ZEKRTAKJNXCYCP-ZYHUDNBSSA-N 1 0 216.284 0.867 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CCC[C@H](CC#N)C1 ZINC000397714809 350965403 /nfs/dbraw/zinc/96/54/03/350965403.db2.gz QHAKMNGCHIGZBF-OLZOCXBDSA-N 1 0 239.363 0.925 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000397592758 350950449 /nfs/dbraw/zinc/95/04/49/350950449.db2.gz JGIYDFWYBTZVPS-QWRGUYRKSA-N 1 0 221.304 0.891 20 30 BCEDRO CN(C)c1ncc(C[NH2+]CCCC#N)cn1 ZINC000336725745 351449091 /nfs/dbraw/zinc/44/90/91/351449091.db2.gz BTVJXOUOOHSMJP-UHFFFAOYSA-N 1 0 219.292 0.936 20 30 BCEDRO CN(CC[NH+](C)C)c1nccc(C#N)n1 ZINC000231901742 351454357 /nfs/dbraw/zinc/45/43/57/351454357.db2.gz QRBDNTXKCWONAV-UHFFFAOYSA-N 1 0 205.265 0.346 20 30 BCEDRO C[NH2+]C[C@H](C)CNc1nc(C)cc(C#N)n1 ZINC000231943925 351479249 /nfs/dbraw/zinc/47/92/49/351479249.db2.gz YQBXZWHKFPHHQU-QMMMGPOBSA-N 1 0 219.292 0.924 20 30 BCEDRO C=CCCOCCNC(=[NH2+])N(C)C1CC1 ZINC000273339732 351519178 /nfs/dbraw/zinc/51/91/78/351519178.db2.gz MORKJYUALIBTCM-UHFFFAOYSA-N 1 0 211.309 0.988 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(C(=O)OC)o1 ZINC000276551052 351631729 /nfs/dbraw/zinc/63/17/29/351631729.db2.gz ABLUTMRVKPPWED-UHFFFAOYSA-N 1 0 237.259 0.657 20 30 BCEDRO CO[C@@]1(C[NH2+]CC(C)(C)C#N)CCOC1 ZINC000405100508 351746843 /nfs/dbraw/zinc/74/68/43/351746843.db2.gz MIVWFKITUTUZQX-LLVKDONJSA-N 1 0 212.293 0.931 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@H](C)CC[NH3+] ZINC000336733773 351882130 /nfs/dbraw/zinc/88/21/30/351882130.db2.gz GVDJVHSYJBFRTK-NXEZZACHSA-N 1 0 214.309 0.821 20 30 BCEDRO C=CC1CCN(C(=O)[C@H]2OCC[C@H]2[NH3+])CC1 ZINC000637993686 351867657 /nfs/dbraw/zinc/86/76/57/351867657.db2.gz MVPLCTPMQYDLFA-MNOVXSKESA-N 1 0 224.304 0.527 20 30 BCEDRO C#C[C@H](NC(=[NH2+])N[C@@H](C)COC)C(C)C ZINC000281100825 351875626 /nfs/dbraw/zinc/87/56/26/351875626.db2.gz WFXUVMKQOSWGLI-UWVGGRQHSA-N 1 0 211.309 0.583 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)CC[C@@H](C)O)C1=O ZINC000281135374 351877190 /nfs/dbraw/zinc/87/71/90/351877190.db2.gz AEFNQPCNQQJHGA-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000282106769 351923425 /nfs/dbraw/zinc/92/34/25/351923425.db2.gz WOQDLFMRISECNU-NSHDSACASA-N 1 0 221.304 0.558 20 30 BCEDRO CC[C@H](C#N)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000340136676 351927898 /nfs/dbraw/zinc/92/78/98/351927898.db2.gz AKRJTZXHCOFAEL-NXEZZACHSA-N 1 0 211.309 0.991 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638011283 351888640 /nfs/dbraw/zinc/88/86/40/351888640.db2.gz WDYKYIVOJLHZEZ-HOSYDEDBSA-N 1 0 226.320 0.834 20 30 BCEDRO C#CCn1ccc(CN(CC)C[C@H](C)O)n1 ZINC000281478305 351892991 /nfs/dbraw/zinc/89/29/91/351892991.db2.gz WLARXLRGUVARRW-NSHDSACASA-N 1 0 221.304 0.719 20 30 BCEDRO CS(=O)(=O)NCCN(CCCC#N)C1CC1 ZINC000340216664 352066606 /nfs/dbraw/zinc/06/66/06/352066606.db2.gz DNRVNRZIAKZHBW-UHFFFAOYSA-N 1 0 245.348 0.304 20 30 BCEDRO C[N@H+](CCCSCC#N)[C@@H]1CCNC1=O ZINC000340225534 352085212 /nfs/dbraw/zinc/08/52/12/352085212.db2.gz LBIBLRCBYVZHHQ-SECBINFHSA-N 1 0 227.333 0.454 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000618887274 352158076 /nfs/dbraw/zinc/15/80/76/352158076.db2.gz RGTYDLBCCAPAAY-UWVGGRQHSA-N 1 0 209.293 0.733 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000613329641 363110395 /nfs/dbraw/zinc/11/03/95/363110395.db2.gz SGFQKJBHBNZCET-VWYCJHECSA-N 1 0 224.304 0.086 20 30 BCEDRO C=C1CCN(C(=O)[C@]2(C)C[C@@H](OC)C[NH2+]2)CC1 ZINC000638381669 352193922 /nfs/dbraw/zinc/19/39/22/352193922.db2.gz NXLSHQNKEHUFGU-YPMHNXCESA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCOCCNC(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638427102 352234885 /nfs/dbraw/zinc/23/48/85/352234885.db2.gz YGAYGAHXXLRDCL-ZYHUDNBSSA-N 1 0 242.319 0.072 20 30 BCEDRO CNC(=[NH2+])NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000290676943 352235528 /nfs/dbraw/zinc/23/55/28/352235528.db2.gz PPSRPKCZMVGOMR-WCQYABFASA-N 1 0 233.315 0.687 20 30 BCEDRO CNC(=[NH2+])NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000290676946 352235610 /nfs/dbraw/zinc/23/56/10/352235610.db2.gz PPSRPKCZMVGOMR-YPMHNXCESA-N 1 0 233.315 0.687 20 30 BCEDRO C=CCCCNC(=O)N(C)CCOCC[NH3+] ZINC000627023559 363118366 /nfs/dbraw/zinc/11/83/66/363118366.db2.gz XOMGNZXMUVLWJH-UHFFFAOYSA-N 1 0 229.324 0.569 20 30 BCEDRO C=CCCNC(=O)c1cnc(C[NH3+])nc1 ZINC000638405955 352213871 /nfs/dbraw/zinc/21/38/71/352213871.db2.gz HOJAORKXCZYULN-UHFFFAOYSA-N 1 0 206.249 0.241 20 30 BCEDRO C=CCOCCCNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638414326 352223118 /nfs/dbraw/zinc/22/31/18/352223118.db2.gz FFCMUWDLCRLTGW-LLVKDONJSA-N 1 0 224.304 0.743 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCc1cn[nH]c1 ZINC000290655487 352233715 /nfs/dbraw/zinc/23/37/15/352233715.db2.gz NHZQLXBXVXDCSD-MRVPVSSYSA-N 1 0 209.297 0.655 20 30 BCEDRO C=C(CC)CNC(=O)NCCOCC[NH2+]C ZINC000627055273 363172972 /nfs/dbraw/zinc/17/29/72/363172972.db2.gz KKTLQEFCEACXAS-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C=CC(C)(C)CCNC(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638455285 352265384 /nfs/dbraw/zinc/26/53/84/352265384.db2.gz SZBDILVQKJYRJH-VHSXEESVSA-N 1 0 226.320 0.821 20 30 BCEDRO C=CC(C)(C)CCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000638454241 352267467 /nfs/dbraw/zinc/26/74/67/352267467.db2.gz DXYZXTKHLPMYEB-SNVBAGLBSA-N 1 0 226.320 0.693 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N(CC)CC[NH3+] ZINC000627052067 363172115 /nfs/dbraw/zinc/17/21/15/363172115.db2.gz WPGMGFVINMGKRQ-ZJUUUORDSA-N 1 0 227.308 0.320 20 30 BCEDRO C=CCN(CCC#N)C[C@](C)(O)C(=O)OCC ZINC000292334681 352316007 /nfs/dbraw/zinc/31/60/07/352316007.db2.gz WPESFEDHXZJCKN-LBPRGKRZSA-N 1 0 240.303 0.702 20 30 BCEDRO C=CCNC(=[NH2+])NCCNC(=O)[C@H](C)CCC ZINC000292386899 352318522 /nfs/dbraw/zinc/31/85/22/352318522.db2.gz VEFVPQAPIHNVNF-SNVBAGLBSA-N 1 0 240.351 0.629 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000638471594 352279868 /nfs/dbraw/zinc/27/98/68/352279868.db2.gz JBACUCMCKGTSGU-NSHDSACASA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000638502392 352322543 /nfs/dbraw/zinc/32/25/43/352322543.db2.gz BIURGCFSJAXUOQ-LLVKDONJSA-N 1 0 238.331 0.980 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@@H]1CCCNC1=O ZINC000411635129 191199030 /nfs/dbraw/zinc/19/90/30/191199030.db2.gz AZMHPCKZSQPCBG-GFCCVEGCSA-N 1 0 239.363 0.705 20 30 BCEDRO C=CCN(C)CC[N@@H+](CC)CCn1cncn1 ZINC000411636310 191199328 /nfs/dbraw/zinc/19/93/28/191199328.db2.gz CZKBDNGHQFBWRH-UHFFFAOYSA-N 1 0 237.351 0.718 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638647339 352491250 /nfs/dbraw/zinc/49/12/50/352491250.db2.gz HXXJYXIEXHAXHW-UWVGGRQHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H]1COCC[NH2+]1 ZINC000638619721 352459096 /nfs/dbraw/zinc/45/90/96/352459096.db2.gz MYGDPSXCJHOSPD-NSHDSACASA-N 1 0 242.319 0.074 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C)[NH2+]C2)nn1 ZINC000638653847 352496675 /nfs/dbraw/zinc/49/66/75/352496675.db2.gz ZNJLKEGEEJMTBN-NXEZZACHSA-N 1 0 249.318 0.334 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000163833065 352553657 /nfs/dbraw/zinc/55/36/57/352553657.db2.gz QNIKZUCIZLHRSR-GFCCVEGCSA-N 1 0 239.319 0.426 20 30 BCEDRO CO[C@]1(C[NH2+]Cc2cc(C#N)n(C)c2)CCOC1 ZINC000232315901 352618310 /nfs/dbraw/zinc/61/83/10/352618310.db2.gz UEBFSKQVZBMWDE-ZDUSSCGKSA-N 1 0 249.314 0.792 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCC[NH+](CC)CC ZINC000273365380 187747918 /nfs/dbraw/zinc/74/79/18/187747918.db2.gz BSIAVYVDKNYBSX-LLVKDONJSA-N 1 0 243.351 0.564 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[NH+](CC2CC2)CC1 ZINC000304211677 352725882 /nfs/dbraw/zinc/72/58/82/352725882.db2.gz HYISEVWOMWIBOU-GFCCVEGCSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000631975208 363199493 /nfs/dbraw/zinc/19/94/93/363199493.db2.gz ATSRFBXYHUTEEI-XYPYZODXSA-N 1 0 246.376 0.999 20 30 BCEDRO C=CCCOCC[NH2+]C[C@@]1(OC)CCOC1 ZINC000638812256 352990601 /nfs/dbraw/zinc/99/06/01/352990601.db2.gz UGZUBLBQIDSLDT-LBPRGKRZSA-N 1 0 229.320 0.974 20 30 BCEDRO CCC[N@@H+](CC(=O)NCC#N)CC(C)C ZINC000343042994 352953245 /nfs/dbraw/zinc/95/32/45/352953245.db2.gz OUONZICFVAWRDP-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000412102061 191262292 /nfs/dbraw/zinc/26/22/92/191262292.db2.gz ZDZRXEJMYQWKEC-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)C[NH2+]CCC[C@@H]1CCO1 ZINC000638848105 353027600 /nfs/dbraw/zinc/02/76/00/353027600.db2.gz ZWCWBPYCLIENCC-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)Cc1cnccn1 ZINC000638847655 353027689 /nfs/dbraw/zinc/02/76/89/353027689.db2.gz UXNLKEGJJGJXBD-SNVBAGLBSA-N 1 0 234.303 0.299 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000638847396 353027706 /nfs/dbraw/zinc/02/77/06/353027706.db2.gz SBKHKSLRCCWNRR-GHMZBOCLSA-N 1 0 228.336 0.939 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@@H]1C[C@H]2C[C@H]2C1 ZINC000638848024 353027795 /nfs/dbraw/zinc/02/77/95/353027795.db2.gz YANWZZMVFDRONO-JGPRNRPPSA-N 1 0 208.305 0.924 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@@H](OC)[C@@H](C)CC ZINC000638847548 353027926 /nfs/dbraw/zinc/02/79/26/353027926.db2.gz SBKHKSLRCCWNRR-WDEREUQCSA-N 1 0 228.336 0.939 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)Cc1cnccn1 ZINC000638847654 353027951 /nfs/dbraw/zinc/02/79/51/353027951.db2.gz UXNLKEGJJGJXBD-JTQLQIEISA-N 1 0 234.303 0.299 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638830901 353010500 /nfs/dbraw/zinc/01/05/00/353010500.db2.gz UBEREADEYVIGLG-GHMZBOCLSA-N 1 0 226.320 0.429 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000638830912 353010599 /nfs/dbraw/zinc/01/05/99/353010599.db2.gz UBEREADEYVIGLG-WDEREUQCSA-N 1 0 226.320 0.429 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189262397 166367709 /nfs/dbraw/zinc/36/77/09/166367709.db2.gz LFUDBXKZCFCWOT-QWRGUYRKSA-N 1 0 226.320 0.645 20 30 BCEDRO COCC[C@H](CO)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336754479 353137771 /nfs/dbraw/zinc/13/77/71/353137771.db2.gz HKGHCOGBFZSHFU-GARJFASQSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@](C)(OC)C1 ZINC000279418612 166366937 /nfs/dbraw/zinc/36/69/37/166366937.db2.gz WQJPBTHZNPZVMI-GFCCVEGCSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)COCCOC(C)C ZINC000078601917 188086243 /nfs/dbraw/zinc/08/62/43/188086243.db2.gz CSKINEDROSFQDH-GFCCVEGCSA-N 1 0 229.320 0.354 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCSC(C)(C)C1 ZINC000177511806 188079585 /nfs/dbraw/zinc/07/95/85/188079585.db2.gz JIUQIQFSDFFESV-SNVBAGLBSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCN1CCN(CN2C[C@H](C)CC2=O)CC1 ZINC000113239369 353157655 /nfs/dbraw/zinc/15/76/55/353157655.db2.gz HKFWBPNMQCYHQV-GFCCVEGCSA-N 1 0 235.331 0.063 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+]1CC=C(C)CC1 ZINC000270348860 188089127 /nfs/dbraw/zinc/08/91/27/188089127.db2.gz PMROKLYCDQRTHY-LLVKDONJSA-N 1 0 206.289 0.776 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](COC)[C@@H]1CCCO1 ZINC000279087931 166370322 /nfs/dbraw/zinc/37/03/22/166370322.db2.gz OVXJVXGBCWRGOV-MNOVXSKESA-N 1 0 242.319 0.072 20 30 BCEDRO C#CC[N@H+](CC)CCn1cc([N+](=O)[O-])cn1 ZINC000267366044 188088201 /nfs/dbraw/zinc/08/82/01/188088201.db2.gz XLSGLCXZBWTZOB-UHFFFAOYSA-N 1 0 222.248 0.746 20 30 BCEDRO C[NH+](C)C[C@@H]1CN(C(=O)CCCC#N)CCO1 ZINC000330901655 353197633 /nfs/dbraw/zinc/19/76/33/353197633.db2.gz RODASNVVZWOBMW-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCC#N ZINC000330823505 353183694 /nfs/dbraw/zinc/18/36/94/353183694.db2.gz ODOHKAUFUWPVRS-SNVBAGLBSA-N 1 0 245.348 0.304 20 30 BCEDRO COCCC[NH+]1CCC(NC(=O)CC#N)CC1 ZINC000330883172 353191249 /nfs/dbraw/zinc/19/12/49/353191249.db2.gz ONSSZEKIIQOQQF-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO C[C@H](O)CCNC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000330848612 353193694 /nfs/dbraw/zinc/19/36/94/353193694.db2.gz ZERXVRIFEMCYQA-UWVGGRQHSA-N 1 0 229.324 0.355 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@H]1CC[C@@H]([NH+](C)C)C1 ZINC000330892161 353199824 /nfs/dbraw/zinc/19/98/24/353199824.db2.gz DAFKUQQYFHMYHD-LOWVWBTDSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000330924810 353206819 /nfs/dbraw/zinc/20/68/19/353206819.db2.gz GHVFZJLVRAXYJR-QWRGUYRKSA-N 1 0 241.335 0.785 20 30 BCEDRO C[C@H](CCO)CNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000330933117 353207177 /nfs/dbraw/zinc/20/71/77/353207177.db2.gz BTCIGOZDNBOJAP-GHMZBOCLSA-N 1 0 243.351 0.603 20 30 BCEDRO Cc1cnc(C(=O)NCC[NH+](C)C)c(O)c1 ZINC000331005313 353211272 /nfs/dbraw/zinc/21/12/72/353211272.db2.gz ZDJUYKYOSIHTJS-UHFFFAOYSA-N 1 0 223.276 0.962 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000331282176 353233978 /nfs/dbraw/zinc/23/39/78/353233978.db2.gz VJYOFJLKZMCQEO-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[C@H]([NH2+]C)C1 ZINC000053204445 353247360 /nfs/dbraw/zinc/24/73/60/353247360.db2.gz GKWDCTGBFSNMSA-QWRGUYRKSA-N 1 0 225.336 0.361 20 30 BCEDRO C#CCCN1CC[NH+](C[C@@H](O)CCC=C)CC1 ZINC000271999933 188199265 /nfs/dbraw/zinc/19/92/65/188199265.db2.gz HDPSLAARHCHYPH-AWEZNQCLSA-N 1 0 236.359 0.954 20 30 BCEDRO CN(c1nccc(C#N)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000231900643 188187609 /nfs/dbraw/zinc/18/76/09/188187609.db2.gz GGXJMUBOLQDQGY-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH+]1CCC(C)CC1 ZINC000016483564 166376106 /nfs/dbraw/zinc/37/61/06/166376106.db2.gz PLDIJHDHNZFCFL-UHFFFAOYSA-N 1 0 239.319 0.730 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000251546671 353281359 /nfs/dbraw/zinc/28/13/59/353281359.db2.gz LIVUOMWCFYMWFG-TUAOUCFPSA-N 1 0 237.347 0.503 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](COC)C1CC1 ZINC000167155719 188226557 /nfs/dbraw/zinc/22/65/57/188226557.db2.gz OJOMYURWJBFKGL-LLVKDONJSA-N 1 0 224.304 0.141 20 30 BCEDRO C=CC[C@]1(C(=O)N2CCn3nccc32)CCC[NH2+]1 ZINC000639034737 353307862 /nfs/dbraw/zinc/30/78/62/353307862.db2.gz MEGSNNDZUBLMQJ-CYBMUJFWSA-N 1 0 246.314 0.928 20 30 BCEDRO CN(C)C[C@H](O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336769777 353297499 /nfs/dbraw/zinc/29/74/99/353297499.db2.gz VCGRKZVUDLZMHP-GMTAPVOTSA-N 1 0 211.309 0.191 20 30 BCEDRO C#CCCN1CCN(Cc2nnc(CC)o2)CC1 ZINC000162485749 353322103 /nfs/dbraw/zinc/32/21/03/353322103.db2.gz IPSCQPCUMYINSI-UHFFFAOYSA-N 1 0 248.330 0.773 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cc1cnccn1 ZINC000639046837 353337802 /nfs/dbraw/zinc/33/78/02/353337802.db2.gz XVYXXHQASYMVQA-WDEREUQCSA-N 1 0 221.304 0.934 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNc1ncncc1C#N ZINC000304504514 363219279 /nfs/dbraw/zinc/21/92/79/363219279.db2.gz WOWIZHARGHTNLD-JTQLQIEISA-N 1 0 217.276 0.854 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)CCOC ZINC000180031140 353381275 /nfs/dbraw/zinc/38/12/75/353381275.db2.gz IRHVGIXCNBFGEJ-SECBINFHSA-N 1 0 200.282 0.303 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](O)CO ZINC000090282788 353383074 /nfs/dbraw/zinc/38/30/74/353383074.db2.gz FLFXBRZEDVDNTP-GFCCVEGCSA-N 1 0 235.283 0.141 20 30 BCEDRO C=CCCC(=O)N1CC[C@H](OC)C[C@@H]1C[NH3+] ZINC000165644270 353419837 /nfs/dbraw/zinc/41/98/37/353419837.db2.gz YSPPWKWNAZIRPE-MNOVXSKESA-N 1 0 226.320 0.917 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNc1ncncc1C#N ZINC000304504518 363223468 /nfs/dbraw/zinc/22/34/68/363223468.db2.gz WOWIZHARGHTNLD-SNVBAGLBSA-N 1 0 217.276 0.854 20 30 BCEDRO CC#CC[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000514774484 324111881 /nfs/dbraw/zinc/11/18/81/324111881.db2.gz KCNNHVRHRBWZPZ-UHFFFAOYSA-N 1 0 220.276 0.644 20 30 BCEDRO N#CCc1ccc(C[NH2+]C(CO)CO)cc1 ZINC000398988661 353492187 /nfs/dbraw/zinc/49/21/87/353492187.db2.gz JTBAMVCSBHATBH-UHFFFAOYSA-N 1 0 220.272 0.195 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](C)O)C1=O ZINC000281994676 353460396 /nfs/dbraw/zinc/46/03/96/353460396.db2.gz NCYRZNJZCYGBSL-ZJUUUORDSA-N 1 0 212.293 0.086 20 30 BCEDRO COCCN1CC[C@@H]([NH2+]CCCCC#N)C1 ZINC000336776191 353461106 /nfs/dbraw/zinc/46/11/06/353461106.db2.gz DZWXROHVRSEHSX-GFCCVEGCSA-N 1 0 225.336 0.991 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)CCOC)C1=O ZINC000282046724 353461811 /nfs/dbraw/zinc/46/18/11/353461811.db2.gz RJADLEMQJPUGEG-JTQLQIEISA-N 1 0 212.293 0.352 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)[C@H]2CCOC2)C1=O ZINC000282084288 353462560 /nfs/dbraw/zinc/46/25/60/353462560.db2.gz UTKRYWXVHAHKJH-WDEREUQCSA-N 1 0 224.304 0.494 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)[C@H]2CCOC2)C1=O ZINC000282084286 353462721 /nfs/dbraw/zinc/46/27/21/353462721.db2.gz UTKRYWXVHAHKJH-QWRGUYRKSA-N 1 0 224.304 0.494 20 30 BCEDRO C#C[C@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000282196050 353465195 /nfs/dbraw/zinc/46/51/95/353465195.db2.gz SNSWBKYGICNMNK-QWRGUYRKSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CCC[N@@H+](CCC)[C@H]1CC(=O)N(C)C1=O ZINC000282419812 353471205 /nfs/dbraw/zinc/47/12/05/353471205.db2.gz GQYPUVOCFMIHBZ-JTQLQIEISA-N 1 0 222.288 0.479 20 30 BCEDRO N#CC1CC[NH+](C[C@H](O)Cn2cccn2)CC1 ZINC000061040314 353512447 /nfs/dbraw/zinc/51/24/47/353512447.db2.gz JUNHRUYFDSJGFQ-LBPRGKRZSA-N 1 0 234.303 0.480 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C2(CO)CC2)C1=O ZINC000285517479 353545159 /nfs/dbraw/zinc/54/51/59/353545159.db2.gz OAIQHEGIITVKAU-JTQLQIEISA-N 1 0 224.304 0.230 20 30 BCEDRO CC#CC(=O)N1CC[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000283383723 353499196 /nfs/dbraw/zinc/49/91/96/353499196.db2.gz ADIIIXNALACGMW-MNOVXSKESA-N 1 0 206.289 0.562 20 30 BCEDRO CC#CC(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000283383770 353499287 /nfs/dbraw/zinc/49/92/87/353499287.db2.gz ADIIIXNALACGMW-WDEREUQCSA-N 1 0 206.289 0.562 20 30 BCEDRO CC#CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000283773958 353504192 /nfs/dbraw/zinc/50/41/92/353504192.db2.gz MOHDEOOFRPCCNP-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000491779652 324161071 /nfs/dbraw/zinc/16/10/71/324161071.db2.gz JZGQYRGQXGBSML-CHWSQXEVSA-N 1 0 219.284 0.174 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000278964446 188449117 /nfs/dbraw/zinc/44/91/17/188449117.db2.gz WZNOZPFMUUNTHX-CMPLNLGQSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@@H](C)CF)CC1 ZINC000288417032 353599219 /nfs/dbraw/zinc/59/92/19/353599219.db2.gz XHYJOKYWGHXUPV-JTQLQIEISA-N 1 0 226.295 0.806 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)N[C@H](C)C[NH3+])C1 ZINC000627084701 363235381 /nfs/dbraw/zinc/23/53/81/363235381.db2.gz MQOBYZCLCRYTHJ-ZJUUUORDSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CCC[N@@H+]1C[C@H](C(N)=O)[C@@H](c2cnn(C)c2)C1 ZINC000286719051 353569353 /nfs/dbraw/zinc/56/93/53/353569353.db2.gz JLRKSHHNYNZILA-NEPJUHHUSA-N 1 0 248.330 0.497 20 30 BCEDRO C#CCN(C)Cc1ccccc1S(N)(=O)=O ZINC000289501789 353629977 /nfs/dbraw/zinc/62/99/77/353629977.db2.gz KTSUNLOEHRFSLI-UHFFFAOYSA-N 1 0 238.312 0.399 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cnc2c(c1)c(C)nn2C ZINC000289828802 353639592 /nfs/dbraw/zinc/63/95/92/353639592.db2.gz MMXICCLBTMLSPD-NSHDSACASA-N 1 0 246.314 0.913 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cc2c(cc1O)OCO2 ZINC000289975039 353644984 /nfs/dbraw/zinc/64/49/84/353644984.db2.gz WKFRALJOQOHIOO-VIFPVBQESA-N 1 0 237.255 0.757 20 30 BCEDRO CCCCN1CCOC[C@@H]1C(=O)N[C@@H](C)C#N ZINC000184329998 353645318 /nfs/dbraw/zinc/64/53/18/353645318.db2.gz KZRMCQCIPOWALL-WDEREUQCSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](C2CC2)CC1 ZINC000193922260 353606421 /nfs/dbraw/zinc/60/64/21/353606421.db2.gz XHFWYILYLNLCDU-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO C#Cc1ccc(C[N@@H+](CCO)CCCO)cc1 ZINC000289244952 353620723 /nfs/dbraw/zinc/62/07/23/353620723.db2.gz AYWZRTGCMFWSAB-UHFFFAOYSA-N 1 0 233.311 0.845 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000290449628 353664542 /nfs/dbraw/zinc/66/45/42/353664542.db2.gz BRSRFLDMHPPUMP-UWVGGRQHSA-N 1 0 214.309 0.236 20 30 BCEDRO CC#CCNC(=O)NCCCn1ccnc1 ZINC000290686431 353668139 /nfs/dbraw/zinc/66/81/39/353668139.db2.gz QPHYKDSKZXZNIU-UHFFFAOYSA-N 1 0 220.276 0.596 20 30 BCEDRO C=C[C@H](CO)NC(=O)C[N@@H+](CC)C1CC1 ZINC000290708677 353668868 /nfs/dbraw/zinc/66/88/68/353668868.db2.gz WPHDWUJNQYBPOK-SECBINFHSA-N 1 0 212.293 0.134 20 30 BCEDRO C#CCNC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000291685586 353697696 /nfs/dbraw/zinc/69/76/96/353697696.db2.gz NNKJUTLSVDALGF-GFCCVEGCSA-N 1 0 221.304 0.357 20 30 BCEDRO C=C[C@H](CO)NC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000291066176 353678831 /nfs/dbraw/zinc/67/88/31/353678831.db2.gz RXLPQZJZVPNZTC-VHSXEESVSA-N 1 0 241.335 0.315 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000292565767 353716396 /nfs/dbraw/zinc/71/63/96/353716396.db2.gz FOXKUHQCBMRMNA-QWRGUYRKSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCOCC[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000292693524 353720829 /nfs/dbraw/zinc/72/08/29/353720829.db2.gz CSLLKZVUCHPELV-UHFFFAOYSA-N 1 0 249.314 0.341 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)CCC(=O)OC ZINC000292709217 353721101 /nfs/dbraw/zinc/72/11/01/353721101.db2.gz BAIANUSWIFMMQF-UHFFFAOYSA-N 1 0 240.303 0.011 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](CC)C1 ZINC000292900673 353728494 /nfs/dbraw/zinc/72/84/94/353728494.db2.gz VZIRKBCOWVJEQX-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@H](CC)C1 ZINC000292952101 353729862 /nfs/dbraw/zinc/72/98/62/353729862.db2.gz BQJDDAHRYKUXEN-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)CC(C)(C)O ZINC000292962136 353730313 /nfs/dbraw/zinc/73/03/13/353730313.db2.gz CUCPLGCBVLULOK-UHFFFAOYSA-N 1 0 226.320 0.219 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000293014266 353730863 /nfs/dbraw/zinc/73/08/63/353730863.db2.gz BYLNTXDTBVWWCH-UHFFFAOYSA-N 1 0 233.319 0.254 20 30 BCEDRO CC#CCC[N@H+]1CCc2c(nnn2CCOC)C1 ZINC000293700806 353754922 /nfs/dbraw/zinc/75/49/22/353754922.db2.gz XDUOZGGUNTXYNJ-UHFFFAOYSA-N 1 0 248.330 0.696 20 30 BCEDRO C#CCNC(=O)CC[N@H+](C)CCCn1ccnc1 ZINC000293757322 353756675 /nfs/dbraw/zinc/75/66/75/353756675.db2.gz JQPQDBJHGSSKSG-UHFFFAOYSA-N 1 0 248.330 0.345 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](C)C1 ZINC000293667158 353761121 /nfs/dbraw/zinc/76/11/21/353761121.db2.gz ZFHGFAAOEKEQAO-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](CC)OC ZINC000293892079 353762230 /nfs/dbraw/zinc/76/22/30/353762230.db2.gz DNKDMZSADJCKIZ-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1ncoc1CC ZINC000293889823 353762465 /nfs/dbraw/zinc/76/24/65/353762465.db2.gz DHWSTXMEYBFMRM-UHFFFAOYSA-N 1 0 249.314 0.922 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)Cc1cnn(C)c1 ZINC000293962862 353766108 /nfs/dbraw/zinc/76/61/08/353766108.db2.gz LFBCJUZKPJHKNR-UHFFFAOYSA-N 1 0 248.330 0.034 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)CCOC ZINC000293807226 353768464 /nfs/dbraw/zinc/76/84/64/353768464.db2.gz NYRQHQUGPBNOQH-UHFFFAOYSA-N 1 0 241.335 0.229 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCS[C@H](C)[C@H]1C ZINC000293308186 353740523 /nfs/dbraw/zinc/74/05/23/353740523.db2.gz ZXIBUOMPUSDKRG-GHMZBOCLSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)OC[C@H]1C ZINC000293411586 353743284 /nfs/dbraw/zinc/74/32/84/353743284.db2.gz IEEIOCDDXIXJBF-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)Cc1conc1CC ZINC000293373707 353746184 /nfs/dbraw/zinc/74/61/84/353746184.db2.gz JJLWDYWCSJLILX-UHFFFAOYSA-N 1 0 249.314 0.808 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCCC[N@H+](C)CC#C ZINC000295589685 353810256 /nfs/dbraw/zinc/81/02/56/353810256.db2.gz XCOFRAXQOUMYTL-LBPRGKRZSA-N 1 0 236.315 0.096 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)COCC(=O)OC)C(C)C ZINC000296988976 353839029 /nfs/dbraw/zinc/83/90/29/353839029.db2.gz VSCFWJOUNMBJMX-QWRGUYRKSA-N 1 0 227.304 0.812 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000295013765 353795523 /nfs/dbraw/zinc/79/55/23/353795523.db2.gz XZUCDBGTCTUQEQ-QWRGUYRKSA-N 1 0 226.320 0.481 20 30 BCEDRO N#CC1(C(=O)N2CC[NH2+]CC2)CCCCC1 ZINC000044765646 181027795 /nfs/dbraw/zinc/02/77/95/181027795.db2.gz NIEWECKSZZSZQV-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C=CC[C@H](CC)[NH2+]Cc1cnc(N)nc1N ZINC000639133143 353842555 /nfs/dbraw/zinc/84/25/55/353842555.db2.gz ZKLAVTXDNIQGDG-VIFPVBQESA-N 1 0 221.308 0.746 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1ncnn1C ZINC000639147498 353852394 /nfs/dbraw/zinc/85/23/94/353852394.db2.gz RYPSZAFCHMWJEW-CMPLNLGQSA-N 1 0 236.319 0.886 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[C@H]([NH+](C)C)C1 ZINC000109811322 166387621 /nfs/dbraw/zinc/38/76/21/166387621.db2.gz OINQZJGJCUZITA-RYUDHWBXSA-N 1 0 239.363 0.703 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333783539 181059550 /nfs/dbraw/zinc/05/95/50/181059550.db2.gz LHIDROILXMPPSG-DCAQKATOSA-N 1 0 236.319 0.730 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000343981651 354058145 /nfs/dbraw/zinc/05/81/45/354058145.db2.gz NZFUPNWKJPQRTB-WDEREUQCSA-N 1 0 246.376 0.965 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[N@@H+]3CCC[C@@H]3C2)c[nH]1 ZINC000181289891 181082894 /nfs/dbraw/zinc/08/28/94/181082894.db2.gz GSNGMIDBNZQBBO-GFCCVEGCSA-N 1 0 244.298 0.807 20 30 BCEDRO C=CC[NH+](CC=C)CCCS(=O)(=O)N(C)C ZINC000344191177 354178865 /nfs/dbraw/zinc/17/88/65/354178865.db2.gz UVKHFQLLJMQYQG-UHFFFAOYSA-N 1 0 246.376 0.942 20 30 BCEDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000449719709 202008182 /nfs/dbraw/zinc/00/81/82/202008182.db2.gz HLKLOEWDGSPDRK-CHWSQXEVSA-N 1 0 249.314 0.790 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000449740438 202015855 /nfs/dbraw/zinc/01/58/55/202015855.db2.gz GFJTWJULMPBSOP-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO C[C@H](O)C[N@H+](CC1(C#N)CC1)[C@@H](C)CO ZINC000331789263 134002375 /nfs/dbraw/zinc/00/23/75/134002375.db2.gz USTCQNVMIPVYBJ-UWVGGRQHSA-N 1 0 212.293 0.354 20 30 BCEDRO C=CCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000334605694 354312525 /nfs/dbraw/zinc/31/25/25/354312525.db2.gz VZGOVHPNCQEUAW-AOOOYVTPSA-N 1 0 209.293 0.708 20 30 BCEDRO C=CCCCNC(=O)[C@@H]1COCCN1CC ZINC000344477162 354269129 /nfs/dbraw/zinc/26/91/29/354269129.db2.gz AZFGRGYJNCFZBF-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO N#Cc1ccc(C[N@@H+](CCO)CCCO)o1 ZINC000093323916 181102268 /nfs/dbraw/zinc/10/22/68/181102268.db2.gz NDPBEJPALRGJHZ-UHFFFAOYSA-N 1 0 224.260 0.328 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCOCCO)c(F)c1 ZINC000051770480 181107820 /nfs/dbraw/zinc/10/78/20/181107820.db2.gz FSVQJQIJEVKBTE-UHFFFAOYSA-N 1 0 238.262 0.796 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@H](O)CO)cc1 ZINC000037749130 181109308 /nfs/dbraw/zinc/10/93/08/181109308.db2.gz XZCWZVVCJAJUBY-NSHDSACASA-N 1 0 206.245 0.001 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@H]2CC[C@H](CO)O2)o1 ZINC000353686051 181109517 /nfs/dbraw/zinc/10/95/17/181109517.db2.gz JKRPFASRAXXCGZ-VXGBXAGGSA-N 1 0 236.271 0.781 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]([NH3+])C2CCC2)C1 ZINC000332057452 134003886 /nfs/dbraw/zinc/00/38/86/134003886.db2.gz WHXJDSCKMHXUHD-GDPRMGEGSA-N 1 0 221.304 0.922 20 30 BCEDRO N#Cc1ccc(C[NH2+]CC(=O)NC2CC2)cc1 ZINC000035142584 181106368 /nfs/dbraw/zinc/10/63/68/181106368.db2.gz UIWQUEQVAOJSNA-UHFFFAOYSA-N 1 0 229.283 0.926 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000334685260 354431456 /nfs/dbraw/zinc/43/14/56/354431456.db2.gz JJZAMPWWDYMECR-AAEUAGOBSA-N 1 0 240.347 0.866 20 30 BCEDRO N#Cc1ccc(O[C@H]2CC[N@@H+](CCO)C2)nc1 ZINC000292054251 181128813 /nfs/dbraw/zinc/12/88/13/181128813.db2.gz BNCMKLBQVDNHCU-NSHDSACASA-N 1 0 233.271 0.399 20 30 BCEDRO N#Cc1cccc(NC(=O)N2CC[NH2+]CC2)c1 ZINC000036720579 181140654 /nfs/dbraw/zinc/14/06/54/181140654.db2.gz MOFUIIODCADPSM-UHFFFAOYSA-N 1 0 230.271 0.995 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCCN(C(=O)CC#N)[C@@H]2C1 ZINC000335098487 354639076 /nfs/dbraw/zinc/63/90/76/354639076.db2.gz KUYPJLMCNGTVEC-VHSXEESVSA-N 1 0 207.277 0.453 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000345318902 354609783 /nfs/dbraw/zinc/60/97/83/354609783.db2.gz LYPMHTTWLSTUMF-BBBLOLIVSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H](C#N)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000345814463 354782638 /nfs/dbraw/zinc/78/26/38/354782638.db2.gz KOJKROMBCJTNGD-LLVKDONJSA-N 1 0 223.320 0.994 20 30 BCEDRO CC[NH+](CC)[C@H](C)CNC(=O)[C@@H](C)C#N ZINC000345816993 354785404 /nfs/dbraw/zinc/78/54/04/354785404.db2.gz ONZJJSQSIHQRNG-VHSXEESVSA-N 1 0 211.309 0.993 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[NH+](CC)CC1 ZINC000301053220 363396224 /nfs/dbraw/zinc/39/62/24/363396224.db2.gz XTFQRPLMBSWLFH-SNVBAGLBSA-N 1 0 212.293 0.352 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627159641 363398340 /nfs/dbraw/zinc/39/83/40/363398340.db2.gz DRORXJPQENUFQN-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@H](F)C[C@@H]1CO ZINC000346358911 354889556 /nfs/dbraw/zinc/88/95/56/354889556.db2.gz LCWDCJJXJAYXJV-GHMZBOCLSA-N 1 0 217.284 0.984 20 30 BCEDRO C=CCCCN(C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000627185483 363440219 /nfs/dbraw/zinc/44/02/19/363440219.db2.gz GIONIEKRKJKAMD-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C=C[C@H]1CCCCN1CC(=O)NC(N)=O ZINC000335218483 355057399 /nfs/dbraw/zinc/05/73/99/355057399.db2.gz LHYZWZXVTKNIHF-QMMMGPOBSA-N 1 0 211.265 0.222 20 30 BCEDRO N#Cc1cccc(C(=O)NC[C@@H]2C[NH2+]CCO2)c1 ZINC000134253178 355214347 /nfs/dbraw/zinc/21/43/47/355214347.db2.gz CZWQTDKPKJJILN-LBPRGKRZSA-N 1 0 245.282 0.276 20 30 BCEDRO C[N@@H+]1CC[C@H]2[C@H](CCCN2C(=O)CC#N)C1 ZINC000335280322 355244353 /nfs/dbraw/zinc/24/43/53/355244353.db2.gz MYVFKURPXHPNFJ-MNOVXSKESA-N 1 0 221.304 0.843 20 30 BCEDRO C[N@@H+]1CC[C@H]2[C@@H](CCCN2C(=O)CC#N)C1 ZINC000335280324 355244696 /nfs/dbraw/zinc/24/46/96/355244696.db2.gz MYVFKURPXHPNFJ-QWRGUYRKSA-N 1 0 221.304 0.843 20 30 BCEDRO CC[C@H](C(=O)N(CC#N)C1CC1)[NH+](C)C ZINC000413234715 191365161 /nfs/dbraw/zinc/36/51/61/191365161.db2.gz FIDOPLLCJIDKSK-SNVBAGLBSA-N 1 0 209.293 0.841 20 30 BCEDRO CC[C@@H](C)[N@H+](C)CCNc1ccnc(C#N)n1 ZINC000383792872 355324738 /nfs/dbraw/zinc/32/47/38/355324738.db2.gz RIGCIWHBKBRMFL-SNVBAGLBSA-N 1 0 233.319 0.912 20 30 BCEDRO COC[C@@H](C)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000584346168 355368610 /nfs/dbraw/zinc/36/86/10/355368610.db2.gz VMECFMYZEDUMJS-RYUDHWBXSA-N 1 0 243.351 0.065 20 30 BCEDRO C=C(C)C[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000104064982 355369144 /nfs/dbraw/zinc/36/91/44/355369144.db2.gz NCLFXRHMIPFOCX-UHFFFAOYSA-N 1 0 232.349 0.563 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(C[C@@H](C)C#N)C1CC1 ZINC000583507539 355343700 /nfs/dbraw/zinc/34/37/00/355343700.db2.gz APYJHVLFKKHEJH-AAEUAGOBSA-N 1 0 239.363 0.923 20 30 BCEDRO C=CCn1cc(C[NH2+]C[C@@H](OC)C2CC2)nn1 ZINC000639273422 355346059 /nfs/dbraw/zinc/34/60/59/355346059.db2.gz DOKNLZMJNBDPDZ-GFCCVEGCSA-N 1 0 236.319 0.979 20 30 BCEDRO C#CCNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000105062095 355601186 /nfs/dbraw/zinc/60/11/86/355601186.db2.gz KUQUAEDFCABQKN-VIFPVBQESA-N 1 0 209.293 0.402 20 30 BCEDRO CCc1nn(C[C@@H](C)[NH3+])c(=O)c(C#N)c1CC ZINC000582179752 355626668 /nfs/dbraw/zinc/62/66/68/355626668.db2.gz VOIAIFCPJQTNCV-MRVPVSSYSA-N 1 0 234.303 0.587 20 30 BCEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@H](C)C#N ZINC000335870765 355637115 /nfs/dbraw/zinc/63/71/15/355637115.db2.gz BHHMNIGTTZNMHF-MNOVXSKESA-N 1 0 223.320 0.945 20 30 BCEDRO CC(C)[C@@H]1C[N@H+](C)CCN1C(=O)[C@@H](C)C#N ZINC000335870766 355637171 /nfs/dbraw/zinc/63/71/71/355637171.db2.gz BHHMNIGTTZNMHF-QWRGUYRKSA-N 1 0 223.320 0.945 20 30 BCEDRO C=CCOCCC[NH2+]C[C@@]1(OC)CCOC1 ZINC000639317557 355709001 /nfs/dbraw/zinc/70/90/01/355709001.db2.gz UGLJYWORYCZIQQ-LBPRGKRZSA-N 1 0 229.320 0.974 20 30 BCEDRO C=CCSCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417314874 191788413 /nfs/dbraw/zinc/78/84/13/191788413.db2.gz AKOIPRLSISQUIH-VIFPVBQESA-N 1 0 231.365 0.894 20 30 BCEDRO C=CCSCCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417341423 191789100 /nfs/dbraw/zinc/78/91/00/191789100.db2.gz LEYHHFJJWFSFDG-SECBINFHSA-N 1 0 229.349 0.648 20 30 BCEDRO C=CCSCCNC(=O)NC1CC[NH2+]CC1 ZINC000417340728 191795615 /nfs/dbraw/zinc/79/56/15/191795615.db2.gz KGOBEJSQRGACDD-UHFFFAOYSA-N 1 0 243.376 0.957 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639325675 355725272 /nfs/dbraw/zinc/72/52/72/355725272.db2.gz AFUPCVRMPGEKFH-AXFHLTTASA-N 1 0 226.320 0.570 20 30 BCEDRO C=CCNC(=O)N[C@@H](C)CN1CC[NH+](C)CC1 ZINC000106511927 355777496 /nfs/dbraw/zinc/77/74/96/355777496.db2.gz XBOCUKZIZXVMJQ-NSHDSACASA-N 1 0 240.351 0.108 20 30 BCEDRO CC[NH+](CC)C[C@@H](C)Nc1ncncc1C#N ZINC000383936506 355791349 /nfs/dbraw/zinc/79/13/49/355791349.db2.gz GICNIEMZBJSZTN-SNVBAGLBSA-N 1 0 233.319 0.912 20 30 BCEDRO C=CCOCCCC(=O)NCC[C@@H](C)[NH3+] ZINC000178657674 166414256 /nfs/dbraw/zinc/41/42/56/166414256.db2.gz RIGOOHGGKCHUSB-SNVBAGLBSA-N 1 0 214.309 0.823 20 30 BCEDRO C[NH+]1CCC(NC(=O)NCC2(C)COC2)CC1 ZINC000329276062 355909138 /nfs/dbraw/zinc/90/91/38/355909138.db2.gz KEPBBQUDRIKAHZ-UHFFFAOYSA-N 1 0 241.335 0.621 20 30 BCEDRO N#CCCCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000609572671 355910156 /nfs/dbraw/zinc/91/01/56/355910156.db2.gz PAKUMMQCZZSWKL-QWHCGFSZSA-N 1 0 237.347 0.821 20 30 BCEDRO Cc1nnc(CCNC(=O)[C@H]2CCC[N@H+]2C)[nH]1 ZINC000329105486 355896034 /nfs/dbraw/zinc/89/60/34/355896034.db2.gz OKWYXWBYGKRDHK-SECBINFHSA-N 1 0 237.307 0.706 20 30 BCEDRO C=C(Cl)CNC(=O)C1(C[NH3+])CCOCC1 ZINC000167960203 191949568 /nfs/dbraw/zinc/94/95/68/191949568.db2.gz QSVYZZKRPSSASS-UHFFFAOYSA-N 1 0 232.711 0.611 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417897722 191939905 /nfs/dbraw/zinc/93/99/05/191939905.db2.gz YDWURORZZRAIDH-LLVKDONJSA-N 1 0 241.335 0.616 20 30 BCEDRO C=CC(C)(C)CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418247794 192003170 /nfs/dbraw/zinc/00/31/70/192003170.db2.gz HAMOUCMKXHTJNY-JTQLQIEISA-N 1 0 241.335 0.568 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]([NH3+])C(C)C ZINC000418245762 192004772 /nfs/dbraw/zinc/00/47/72/192004772.db2.gz FBNSSNPXNKYYPU-AXFHLTTASA-N 1 0 241.335 0.612 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418255573 192005811 /nfs/dbraw/zinc/00/58/11/192005811.db2.gz RVEZNTXPIABSGU-QEYWKRMJSA-N 1 0 227.308 0.365 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418253810 192008782 /nfs/dbraw/zinc/00/87/82/192008782.db2.gz PZPSQMLDAOKHGG-MMWGEVLESA-N 1 0 241.335 0.755 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CCC(C)(C#N)CC1 ZINC000384063568 356178696 /nfs/dbraw/zinc/17/86/96/356178696.db2.gz YMQHCAYBJXUNHG-LBPRGKRZSA-N 1 0 239.363 0.925 20 30 BCEDRO C[C@@H](C#N)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000336102846 134083880 /nfs/dbraw/zinc/08/38/80/134083880.db2.gz GCXLGTPGYUJTSC-WPRPVWTQSA-N 1 0 207.277 0.641 20 30 BCEDRO C=CCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000617616925 356192515 /nfs/dbraw/zinc/19/25/15/356192515.db2.gz NIZRUIYGHIGEOC-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO N#CCCCN1CCO[C@@H](C(=O)C2CC2)C1 ZINC000331364053 356198070 /nfs/dbraw/zinc/19/80/70/356198070.db2.gz AYNCNCFPRIQVCC-LLVKDONJSA-N 1 0 222.288 0.970 20 30 BCEDRO CC[C@H](CO)[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000331366197 356199111 /nfs/dbraw/zinc/19/91/11/356199111.db2.gz CZGRFRLGYWYCDP-GFCCVEGCSA-N 1 0 237.347 0.679 20 30 BCEDRO C[C@@H](NC(=O)NCC(C)(C)CC#N)[C@H](C)[NH3+] ZINC000418292673 192017374 /nfs/dbraw/zinc/01/73/74/192017374.db2.gz OKSJNJOWAWNIDX-DTWKUNHWSA-N 1 0 226.324 0.961 20 30 BCEDRO C=CCOCC(=O)NCC[C@H](C)[NH+](C)C ZINC000617752549 356311595 /nfs/dbraw/zinc/31/15/95/356311595.db2.gz PLSACHIGOKIPNC-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC[C@@H](C)[NH+](C)C ZINC000617758852 356314639 /nfs/dbraw/zinc/31/46/39/356314639.db2.gz XUKREENGXKRFRD-PWSUYJOCSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000420293625 192203099 /nfs/dbraw/zinc/20/30/99/192203099.db2.gz RIMBIDNHCCRTJF-FRRDWIJNSA-N 1 0 249.358 0.600 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[C@@H](C)[NH+](C)C ZINC000617762376 356320024 /nfs/dbraw/zinc/32/00/24/356320024.db2.gz NNGPKCIFGSTBER-MWLCHTKSSA-N 1 0 214.309 0.380 20 30 BCEDRO C=CCN1CC[C@H](N(C2CC2)[C@H]2CC[NH2+]C2)C1=O ZINC000420308107 192210222 /nfs/dbraw/zinc/21/02/22/192210222.db2.gz CKEWKDKRNZXQIV-STQMWFEESA-N 1 0 249.358 0.600 20 30 BCEDRO C=CCN1CC[C@@H](N(C)[C@H](C[NH3+])C2CC2)C1=O ZINC000420317861 192212890 /nfs/dbraw/zinc/21/28/90/192212890.db2.gz OYNNLCBKCXCJSQ-VXGBXAGGSA-N 1 0 237.347 0.442 20 30 BCEDRO CC1(C)CC[NH+](CC(=O)NCC#N)CC1 ZINC000336507647 356382876 /nfs/dbraw/zinc/38/28/76/356382876.db2.gz COJKQKLPPJGLLP-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000420445739 192242839 /nfs/dbraw/zinc/24/28/39/192242839.db2.gz SNQCTIRYCWOYGN-JGVFFNPUSA-N 1 0 206.311 0.218 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](CC[NH3+])C(F)F ZINC000420458244 192243261 /nfs/dbraw/zinc/24/32/61/192243261.db2.gz ITJDZUALDNVIFC-ZETCQYMHSA-N 1 0 242.291 0.464 20 30 BCEDRO CC[N@H+](C[C@H](C)O)[C@H](C)C(=O)N(C)CCC#N ZINC000352222819 134109707 /nfs/dbraw/zinc/10/97/07/134109707.db2.gz SIGDURFGYNNDLO-WDEREUQCSA-N 1 0 241.335 0.450 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H]1CCC[C@H]([NH3+])C1 ZINC000420462912 192244298 /nfs/dbraw/zinc/24/42/98/192244298.db2.gz IJYVJVFMCDZSSG-MNOVXSKESA-N 1 0 246.376 0.999 20 30 BCEDRO C=CCNC(=O)[C@H](C)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000420995063 192294622 /nfs/dbraw/zinc/29/46/22/192294622.db2.gz CYLKIDJMCBSAFD-RYUDHWBXSA-N 1 0 239.363 0.703 20 30 BCEDRO CNC(=O)C(C)(C)C[NH2+]C[C@H](C#N)CCC#N ZINC000578112876 366267436 /nfs/dbraw/zinc/26/74/36/366267436.db2.gz SXKXRFJJJDYBFV-JTQLQIEISA-N 1 0 236.319 0.792 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000613523364 363473592 /nfs/dbraw/zinc/47/35/92/363473592.db2.gz FUGOWUOFUGBGFR-ZDUSSCGKSA-N 1 0 238.331 0.692 20 30 BCEDRO C=CCNC(=O)CN(C)C[C@H]1CCC[N@@H+]1C ZINC000421016652 192303758 /nfs/dbraw/zinc/30/37/58/192303758.db2.gz YPBVKEKRUHKEPX-LLVKDONJSA-N 1 0 225.336 0.315 20 30 BCEDRO Cc1[nH]c(C#N)cc1C(=O)N1CC([NH+](C)C)C1 ZINC000336203315 134131289 /nfs/dbraw/zinc/13/12/89/134131289.db2.gz WUZLAIRPWOVROO-UHFFFAOYSA-N 1 0 232.287 0.581 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)CC[C@H]2C)C1=O ZINC000421035994 192310602 /nfs/dbraw/zinc/31/06/02/192310602.db2.gz ZSKHXCHMYXMNRM-WOPDTQHZSA-N 1 0 238.331 0.619 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000333830446 134139182 /nfs/dbraw/zinc/13/91/82/134139182.db2.gz LEAORCJULOVUDL-CHWFTXMASA-N 1 0 210.277 0.682 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CCc2ncnn21 ZINC000639665420 356579585 /nfs/dbraw/zinc/57/95/85/356579585.db2.gz LWTKAGKMSMARCZ-MXWKQRLJSA-N 1 0 234.303 0.699 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1cncn1C ZINC000639666304 356580481 /nfs/dbraw/zinc/58/04/81/356580481.db2.gz PZTXRQYFUDUJRE-NEPJUHHUSA-N 1 0 221.304 0.896 20 30 BCEDRO C=CCN(C)C(=O)NCCOCCC[NH3+] ZINC000627215278 363513111 /nfs/dbraw/zinc/51/31/11/363513111.db2.gz DMTCNKGVPSHGGO-UHFFFAOYSA-N 1 0 215.297 0.179 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)N1CCN(C2CC2)CC1 ZINC000336244684 134141017 /nfs/dbraw/zinc/14/10/17/134141017.db2.gz LKSZYTGNYQNYSL-ZWNOBZJWSA-N 1 0 233.315 0.843 20 30 BCEDRO N#CCC1(C[N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000088259267 356646538 /nfs/dbraw/zinc/64/65/38/356646538.db2.gz GJWWLQYOODWIQM-VIFPVBQESA-N 1 0 207.277 0.630 20 30 BCEDRO C[NH+]1CCN(CCNc2ccncc2C#N)CC1 ZINC000399405167 356663265 /nfs/dbraw/zinc/66/32/65/356663265.db2.gz XQJQDRZBKDSQGH-UHFFFAOYSA-N 1 0 245.330 0.034 20 30 BCEDRO C=CCOCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000639761806 356679472 /nfs/dbraw/zinc/67/94/72/356679472.db2.gz FCBHUIXNIJDECR-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO CSCCCN1CCN(C(=O)CC#N)CC1 ZINC000578140529 366320607 /nfs/dbraw/zinc/32/06/07/366320607.db2.gz MAAROPFJJQKIJC-UHFFFAOYSA-N 1 0 241.360 0.797 20 30 BCEDRO COCC#CCN1CCC[C@](O)(C[NH+](C)C)C1 ZINC000639761727 356679901 /nfs/dbraw/zinc/67/99/01/356679901.db2.gz DLEVACVSWKRKPF-ZDUSSCGKSA-N 1 0 240.347 0.025 20 30 BCEDRO C[N@@H+](CC(=O)NCC#N)C[C@@H]1CCCC[C@@H]1O ZINC000305815096 134160786 /nfs/dbraw/zinc/16/07/86/134160786.db2.gz OABJLSMXWXRKCP-QWRGUYRKSA-N 1 0 239.319 0.109 20 30 BCEDRO N#CCCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000049819504 356698359 /nfs/dbraw/zinc/69/83/59/356698359.db2.gz BLOLESFQIFOEBH-LBPRGKRZSA-N 1 0 223.320 0.697 20 30 BCEDRO N#Cc1ccnc(NCC[NH+]2CCC2)n1 ZINC000450409546 202158693 /nfs/dbraw/zinc/15/86/93/202158693.db2.gz UVWFAGMVBHOBOX-UHFFFAOYSA-N 1 0 203.249 0.466 20 30 BCEDRO C=CCOCC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000354084252 134166537 /nfs/dbraw/zinc/16/65/37/134166537.db2.gz WWXRFMAGANGFJI-UHFFFAOYSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCOCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000354224789 134167071 /nfs/dbraw/zinc/16/70/71/134167071.db2.gz ZPWYEBHGGKBLHY-UHFFFAOYSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H]1C[C@H](F)C[NH2+]1 ZINC000193136045 356714888 /nfs/dbraw/zinc/71/48/88/356714888.db2.gz DDCQDKGQEWEXNV-VHSXEESVSA-N 1 0 212.268 0.887 20 30 BCEDRO C=C(C)COCCNC(=O)N1CCN(C)CC1 ZINC000354897943 134170889 /nfs/dbraw/zinc/17/08/89/134170889.db2.gz SRYRJQRWKPICAT-UHFFFAOYSA-N 1 0 241.335 0.536 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@H](N(C)C)C1 ZINC000639802191 356765201 /nfs/dbraw/zinc/76/52/01/356765201.db2.gz PGWSVRWONBGKBZ-NWDGAFQWSA-N 1 0 212.337 0.949 20 30 BCEDRO Cc1cc(C#N)nc(N(C)C2CC([NH3+])C2)n1 ZINC000384883288 356790760 /nfs/dbraw/zinc/79/07/60/356790760.db2.gz JBDIRPITYCMGEX-UHFFFAOYSA-N 1 0 217.276 0.583 20 30 BCEDRO CC(C)[C@](C)(C#N)NC(=O)[C@@H](C)[N@H+](C)CCO ZINC000355443177 134173458 /nfs/dbraw/zinc/17/34/58/134173458.db2.gz LJXXCVNABUAWQQ-PWSUYJOCSA-N 1 0 241.335 0.353 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000355508227 134173539 /nfs/dbraw/zinc/17/35/39/134173539.db2.gz KBJPANLWRKIVOX-LOWVWBTDSA-N 1 0 240.347 0.865 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000355508273 134173558 /nfs/dbraw/zinc/17/35/58/134173558.db2.gz KQKCZGRWCWTWID-GVXVVHGQSA-N 1 0 240.347 0.865 20 30 BCEDRO CC[NH+]1CCC(NC(=O)NC[C@@H](C)C#N)CC1 ZINC000542874971 325059309 /nfs/dbraw/zinc/05/93/09/325059309.db2.gz SFQBORNUVSBYLP-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO CC[NH+](CC)CCN(CCOC)C(=O)CC#N ZINC000356321462 134177818 /nfs/dbraw/zinc/17/78/18/134177818.db2.gz NANUWUWJGUCYMS-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000639852617 356856600 /nfs/dbraw/zinc/85/66/00/356856600.db2.gz UWORAXOYEUGLSS-SDDRHHMPSA-N 1 0 229.320 0.131 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000356826545 134179661 /nfs/dbraw/zinc/17/96/61/134179661.db2.gz BRDVMEGGEWHQAR-WHOHXGKFSA-N 1 0 240.347 0.911 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000356371460 134177966 /nfs/dbraw/zinc/17/79/66/134177966.db2.gz VRLXHPWAVCHSJV-SDDRHHMPSA-N 1 0 240.347 0.770 20 30 BCEDRO CC#CCC[N@H+](CCO)CCN1CCOCC1 ZINC000155924703 538741056 /nfs/dbraw/zinc/74/10/56/538741056.db2.gz AXMGJUIKKNPQGY-UHFFFAOYSA-N 1 0 240.347 0.026 20 30 BCEDRO C=CCOCC(=O)NC1CC[NH+](CC=C)CC1 ZINC000357821689 134185748 /nfs/dbraw/zinc/18/57/48/134185748.db2.gz QNIVFBQPXAEDBB-UHFFFAOYSA-N 1 0 238.331 0.956 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)C[C@H]1CCOC1 ZINC000399687430 357011303 /nfs/dbraw/zinc/01/13/03/357011303.db2.gz RSAVXSYAKDBEOO-NXEZZACHSA-N 1 0 213.277 0.682 20 30 BCEDRO CO[C@@H]1COC[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000582359915 357104159 /nfs/dbraw/zinc/10/41/59/357104159.db2.gz PPFOLNMZGMINGP-VXGBXAGGSA-N 1 0 235.287 0.400 20 30 BCEDRO CC[N@H+](C)C[C@@H]1CCN(C(=O)CC#N)C1 ZINC000358536521 134190321 /nfs/dbraw/zinc/19/03/21/134190321.db2.gz NBGZBGKJYGCORL-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO C[C@@H]([NH2+][C@@H](C)C(=O)N(C)CCC#N)[C@H](C)CO ZINC000358805296 134192836 /nfs/dbraw/zinc/19/28/36/134192836.db2.gz HMMXCLRARIRANW-MXWKQRLJSA-N 1 0 241.335 0.353 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)Nc1ccc(N)nc1 ZINC000424075983 491108871 /nfs/dbraw/zinc/10/88/71/491108871.db2.gz KRWNHIYHGWCUND-VIFPVBQESA-N 1 0 233.275 0.623 20 30 BCEDRO N#Cc1ccc(OCC(=O)N2CC[NH2+]CC2)cc1 ZINC000035411644 357230481 /nfs/dbraw/zinc/23/04/81/357230481.db2.gz QZEWZJBSWIIPFE-UHFFFAOYSA-N 1 0 245.282 0.369 20 30 BCEDRO CC(C)(C[NH2+]C[C@@H](C#N)CCC#N)OCCO ZINC000583693907 357183119 /nfs/dbraw/zinc/18/31/19/357183119.db2.gz PIWXZUBDROHGIW-LLVKDONJSA-N 1 0 239.319 0.807 20 30 BCEDRO C[S@@](=O)C1(C[NH2+]CCC#N)CCC1 ZINC000393698487 357293377 /nfs/dbraw/zinc/29/33/77/357293377.db2.gz SJNGXMWTGPUKNG-CYBMUJFWSA-N 1 0 200.307 0.791 20 30 BCEDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCCCC#N ZINC000193646063 357262145 /nfs/dbraw/zinc/26/21/45/357262145.db2.gz PQOSKFLHVBXTDX-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO C=C(Cl)CN1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000169168974 357264364 /nfs/dbraw/zinc/26/43/64/357264364.db2.gz HMGASIUOEINCEW-RKDXNWHRSA-N 1 0 204.701 0.787 20 30 BCEDRO C=CC1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000171953180 357276807 /nfs/dbraw/zinc/27/68/07/357276807.db2.gz KUMKHMASVUQTKV-UHFFFAOYSA-N 1 0 239.319 0.860 20 30 BCEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC000582721696 357371440 /nfs/dbraw/zinc/37/14/40/357371440.db2.gz YRLOUWNBTAKWBH-ZNSHCXBVSA-N 1 0 205.261 0.664 20 30 BCEDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCCCC#N ZINC000582723204 357372336 /nfs/dbraw/zinc/37/23/36/357372336.db2.gz ATGFTYGSIAWAHZ-RKDXNWHRSA-N 1 0 212.297 0.715 20 30 BCEDRO C=C(C)C[N@H+](CC)C[C@H](O)CN(C)CCOC ZINC000582674941 357361586 /nfs/dbraw/zinc/36/15/86/357361586.db2.gz ZWFCVFIPXGBEAW-CYBMUJFWSA-N 1 0 244.379 0.824 20 30 BCEDRO CCC[C@@H](C#N)NC(=O)[C@@H]1CN(C)CCO1 ZINC000610257914 357389189 /nfs/dbraw/zinc/38/91/89/357389189.db2.gz GYFFUBMTPIRWNJ-UWVGGRQHSA-N 1 0 225.292 0.125 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)COCC(C)C ZINC000321006194 357393501 /nfs/dbraw/zinc/39/35/01/357393501.db2.gz LMQPRBNPWHADTH-NWDGAFQWSA-N 1 0 231.336 0.547 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCSC1 ZINC000582840744 357413027 /nfs/dbraw/zinc/41/30/27/357413027.db2.gz JBZHCDHGXIXFNZ-WDEREUQCSA-N 1 0 243.376 0.288 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000583154132 357496841 /nfs/dbraw/zinc/49/68/41/357496841.db2.gz UQRRUQLIVMMLFB-NWDGAFQWSA-N 1 0 240.347 0.629 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000054994487 363583174 /nfs/dbraw/zinc/58/31/74/363583174.db2.gz DUZJSOMXQFSNQD-GFCCVEGCSA-N 1 0 238.331 0.743 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361637393 134206727 /nfs/dbraw/zinc/20/67/27/134206727.db2.gz WYDPZNHEFVBTMP-MNOVXSKESA-N 1 0 221.304 0.546 20 30 BCEDRO C=CC[N@@H+](CCOC)[C@H]1CCCCNC1=O ZINC000189422527 357640968 /nfs/dbraw/zinc/64/09/68/357640968.db2.gz ROACVKAQXYTMRG-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000362457616 134211131 /nfs/dbraw/zinc/21/11/31/134211131.db2.gz ZWPKGTHQRRMVII-GHMZBOCLSA-N 1 0 237.303 0.127 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000367872529 134216482 /nfs/dbraw/zinc/21/64/82/134216482.db2.gz GRBLANZXNRACMQ-SNVBAGLBSA-N 1 0 217.334 0.929 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@H]2C(=O)NC(=O)[C@H]2C1 ZINC000367828832 134216665 /nfs/dbraw/zinc/21/66/65/134216665.db2.gz IMWUPMIGIUEIRD-ZJUUUORDSA-N 1 0 222.288 0.547 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@@H](C#N)CCC#N)C[C@H]1CO ZINC000190855888 357727638 /nfs/dbraw/zinc/72/76/38/357727638.db2.gz FPUAYTCQANULEY-UTUOFQBUSA-N 1 0 221.304 0.990 20 30 BCEDRO C=CC[N@@H+](CCCC(=O)NC(N)=O)CCOC ZINC000191127907 357751487 /nfs/dbraw/zinc/75/14/87/357751487.db2.gz BVBWHSBUXRCVHN-UHFFFAOYSA-N 1 0 243.307 0.096 20 30 BCEDRO C[C@@H]1CN(CC[NH+]2CCC(C#N)CC2)CCO1 ZINC000191465756 357772095 /nfs/dbraw/zinc/77/20/95/357772095.db2.gz RZUXFQITUNUOHJ-GFCCVEGCSA-N 1 0 237.347 0.943 20 30 BCEDRO CC#CCNC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000369850339 134223369 /nfs/dbraw/zinc/22/33/69/134223369.db2.gz FZYRNNIJASZPTR-VXGBXAGGSA-N 1 0 235.331 0.745 20 30 BCEDRO N#CCCN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000370355771 134225893 /nfs/dbraw/zinc/22/58/93/134225893.db2.gz SLBHFTMZNYMKOR-OLZOCXBDSA-N 1 0 237.347 0.821 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)CSCC#N)CC1 ZINC000192494797 357835979 /nfs/dbraw/zinc/83/59/79/357835979.db2.gz XKRMSSRCXBNNJU-UHFFFAOYSA-N 1 0 227.333 0.407 20 30 BCEDRO COC[C@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000610432339 357925735 /nfs/dbraw/zinc/92/57/35/357925735.db2.gz RVXXCTWUGVDVGO-NSHDSACASA-N 1 0 211.309 0.553 20 30 BCEDRO N#CCCC1CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000399330821 357902834 /nfs/dbraw/zinc/90/28/34/357902834.db2.gz AZMZSXFCAOAGST-NWDGAFQWSA-N 1 0 224.304 0.762 20 30 BCEDRO Cc1nn(C[C@@H](O)C[N@@H+](C)C(C)C)cc1C#N ZINC000584421658 357918181 /nfs/dbraw/zinc/91/81/81/357918181.db2.gz YRTVPKZXZWFCNL-LBPRGKRZSA-N 1 0 236.319 0.764 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCCC[C@H](CO)C1 ZINC000374041541 134235476 /nfs/dbraw/zinc/23/54/76/134235476.db2.gz ZVLXACBKGHVUNB-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO Cn1nccc1C[NH2+]C1CCN(CC#N)CC1 ZINC000610467816 357947378 /nfs/dbraw/zinc/94/73/78/357947378.db2.gz UQBXQJRHGONAJQ-UHFFFAOYSA-N 1 0 233.319 0.498 20 30 BCEDRO CC(C)C[C@@H](C#N)NC(=O)[C@H](C)[NH+](C)C ZINC000610560045 357987341 /nfs/dbraw/zinc/98/73/41/357987341.db2.gz SFJPUCLBMGKRQM-UWVGGRQHSA-N 1 0 211.309 0.991 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCN1CCOC[C@H]1C ZINC000584478669 357996342 /nfs/dbraw/zinc/99/63/42/357996342.db2.gz YUELPIXSZQESGQ-NEPJUHHUSA-N 1 0 225.336 0.989 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000639999520 358036116 /nfs/dbraw/zinc/03/61/16/358036116.db2.gz KHSNQPUVNOZAOL-NWDGAFQWSA-N 1 0 227.304 0.108 20 30 BCEDRO C=C(C)C[N@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000305685893 134242185 /nfs/dbraw/zinc/24/21/85/134242185.db2.gz PVQDJNYIGLWXQJ-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@H]1CCC ZINC000305710053 134242233 /nfs/dbraw/zinc/24/22/33/134242233.db2.gz DWQLPOPAAOYERM-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)c1 ZINC000639976846 358032315 /nfs/dbraw/zinc/03/23/15/358032315.db2.gz PHOBLDKDDLAITB-LBPRGKRZSA-N 1 0 248.330 0.800 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1cc(C)nn1C ZINC000261909144 535389178 /nfs/dbraw/zinc/38/91/78/535389178.db2.gz XRYGNPJPYTYLPF-UHFFFAOYSA-N 1 0 223.324 0.885 20 30 BCEDRO C[C@H](C#N)CNC(=O)CCCC[NH+](C)C ZINC000584561018 358057153 /nfs/dbraw/zinc/05/71/53/358057153.db2.gz NAXIAOHDTARHSL-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO CCN(CC)C(=[NH2+])N[C@H]1C[C@@H](O)C1(C)C ZINC000262465471 535390702 /nfs/dbraw/zinc/39/07/02/535390702.db2.gz XSLANWBKKQLXPS-DTWKUNHWSA-N 1 0 213.325 0.802 20 30 BCEDRO C[C@H]1CN(C)C[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677419 358065950 /nfs/dbraw/zinc/06/59/50/358065950.db2.gz FHTAWKSCBXFBMR-AAEUAGOBSA-N 1 0 236.363 0.514 20 30 BCEDRO CC[C@@H](C#N)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000366298613 535392816 /nfs/dbraw/zinc/39/28/16/535392816.db2.gz IZWBVEHLTUMVAY-QWRGUYRKSA-N 1 0 221.304 0.747 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)CSC ZINC000584593618 358110961 /nfs/dbraw/zinc/11/09/61/358110961.db2.gz JDLZKIKCWCWNBR-ZJUUUORDSA-N 1 0 219.350 0.485 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H]1CCC1(C)C ZINC000583879744 358114172 /nfs/dbraw/zinc/11/41/72/358114172.db2.gz ATODAEIRRYVEGU-SECBINFHSA-N 1 0 239.319 0.776 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H](C)[C@H]1CO ZINC000640056830 358146397 /nfs/dbraw/zinc/14/63/97/358146397.db2.gz CRLIPFOZWZDQBY-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO N#CC[C@@H]1CC[C@H]([NH2+]CCC(=O)NC(N)=O)C1 ZINC000584775353 358175033 /nfs/dbraw/zinc/17/50/33/358175033.db2.gz IYQQQADXAALGQQ-IUCAKERBSA-N 1 0 238.291 0.243 20 30 BCEDRO CC[C@H](C)[NH+]=C(NCC(=O)N(C)C)NC1CC1 ZINC000171603157 134259569 /nfs/dbraw/zinc/25/95/69/134259569.db2.gz GVVHXPMGVWFZGR-VIFPVBQESA-N 1 0 240.351 0.571 20 30 BCEDRO CCOC(=O)CC[C@H](O)C[NH2+]CCCC#N ZINC000584715892 358159646 /nfs/dbraw/zinc/15/96/46/358159646.db2.gz FCCCYXMNCUVGJL-JTQLQIEISA-N 1 0 228.292 0.584 20 30 BCEDRO C[C@@H](c1ccccc1)[C@@H](O)C[NH2+]CC#CCO ZINC000584839565 358199032 /nfs/dbraw/zinc/19/90/32/358199032.db2.gz QWAKPFRJDQRPPN-JSGCOSHPSA-N 1 0 233.311 0.736 20 30 BCEDRO CCNC(=O)c1ccc(CNC(NC)=[NH+]C)cc1 ZINC000264106086 535418870 /nfs/dbraw/zinc/41/88/70/535418870.db2.gz NVCKHTGNGDHFJR-UHFFFAOYSA-N 1 0 248.330 0.731 20 30 BCEDRO CCNC(=[NH2+])NC[C@H](O)c1cccc(C)c1 ZINC000268998594 535422986 /nfs/dbraw/zinc/42/29/86/535422986.db2.gz XNWQLTDEEUHPJV-NSHDSACASA-N 1 0 221.304 0.953 20 30 BCEDRO CCNC(=[NH2+])NCCc1cn2ccccc2n1 ZINC000264087270 535423000 /nfs/dbraw/zinc/42/30/00/535423000.db2.gz KDPABWKSTTWWND-UHFFFAOYSA-N 1 0 231.303 0.801 20 30 BCEDRO C[C@@H](O)C[N@H+](C)CCCSCC#N ZINC000173899361 134278492 /nfs/dbraw/zinc/27/84/92/134278492.db2.gz OPSILVAOWGQLLC-SECBINFHSA-N 1 0 202.323 0.946 20 30 BCEDRO CCNC(=[NH2+])NCc1cccc(CO)c1 ZINC000267463621 535424276 /nfs/dbraw/zinc/42/42/76/535424276.db2.gz VWBQGQBKDPXHDO-UHFFFAOYSA-N 1 0 207.277 0.603 20 30 BCEDRO CC[C@H](O)C[NH+]1CCN(CCCC#N)CC1 ZINC000174073546 134278911 /nfs/dbraw/zinc/27/89/11/134278911.db2.gz UIYNLWVWLXGMCI-LBPRGKRZSA-N 1 0 225.336 0.679 20 30 BCEDRO C#CC[N@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000105866709 358437478 /nfs/dbraw/zinc/43/74/78/358437478.db2.gz ANLKGSAFXIKCRJ-UHFFFAOYSA-N 1 0 234.303 0.519 20 30 BCEDRO CC[N@@H+]1CC[C@H](CNC(=O)C(C)(C)C#N)C1 ZINC000044752609 358552785 /nfs/dbraw/zinc/55/27/85/358552785.db2.gz QADCKBRNBCKUDU-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CC[N@H+](C)CCCN1C(=O)NC(C)(C)C1=O ZINC000127139953 358559801 /nfs/dbraw/zinc/55/98/01/358559801.db2.gz HETWWOYWXUBRBV-UHFFFAOYSA-N 1 0 239.319 0.825 20 30 BCEDRO CNC(=O)CCC[N@H+](C)Cc1ccnc(C#N)c1 ZINC000611073746 358583501 /nfs/dbraw/zinc/58/35/01/358583501.db2.gz IPWXBZDCSXYARC-UHFFFAOYSA-N 1 0 246.314 0.911 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](C)C[C@@H](C)O ZINC000130589602 358632425 /nfs/dbraw/zinc/63/24/25/358632425.db2.gz PSJWHOWZJBJPIU-WDEREUQCSA-N 1 0 241.335 0.307 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000129343735 358585299 /nfs/dbraw/zinc/58/52/99/358585299.db2.gz JLJVQEJBVZRUHH-CYBMUJFWSA-N 1 0 222.332 0.664 20 30 BCEDRO CC#CCN1CCC([N@@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000131296671 358667976 /nfs/dbraw/zinc/66/79/76/358667976.db2.gz IVZGHRBRFWIULV-CYBMUJFWSA-N 1 0 249.358 0.424 20 30 BCEDRO CC[N@H+](CCO)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000049754514 358700454 /nfs/dbraw/zinc/70/04/54/358700454.db2.gz SRPPIOJALIJIPV-LBPRGKRZSA-N 1 0 239.319 0.109 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCC(=O)OCC ZINC000050067304 358712682 /nfs/dbraw/zinc/71/26/82/358712682.db2.gz ZINJUDJHZQNIAL-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO Cc1nn(C)cc1C[NH2+]C1CCN(CC#N)CC1 ZINC000611118739 358768949 /nfs/dbraw/zinc/76/89/49/358768949.db2.gz HARISAFBXGHLAX-UHFFFAOYSA-N 1 0 247.346 0.806 20 30 BCEDRO COCCN[C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000053256730 358819963 /nfs/dbraw/zinc/81/99/63/358819963.db2.gz GBHCFKYQFCSXRP-NSHDSACASA-N 1 0 233.271 0.321 20 30 BCEDRO C[N@H+](Cc1ccnc(C#N)c1)CC(C)(CO)CO ZINC000611151711 358894638 /nfs/dbraw/zinc/89/46/38/358894638.db2.gz QNWCKPBNTFMZOI-UHFFFAOYSA-N 1 0 249.314 0.376 20 30 BCEDRO CCC#C[C@H](C)N1CCO[C@H](C(=O)OC)C1 ZINC000611158387 358902787 /nfs/dbraw/zinc/90/27/87/358902787.db2.gz UJFLDSGNMFFKEF-QWRGUYRKSA-N 1 0 225.288 0.662 20 30 BCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)c1ccccn1 ZINC000353982770 358905639 /nfs/dbraw/zinc/90/56/39/358905639.db2.gz XIVVPIWRVHAMTF-JTQLQIEISA-N 1 0 242.286 0.896 20 30 BCEDRO N#CCCN1CC[NH+](C[C@@H]2CCCOC2)CC1 ZINC000611175997 358935543 /nfs/dbraw/zinc/93/55/43/358935543.db2.gz RGDBMSIADBJIRJ-ZDUSSCGKSA-N 1 0 237.347 0.944 20 30 BCEDRO C#CCC[NH2+][C@@H](C(N)=O)c1ccccc1 ZINC000264930146 358949710 /nfs/dbraw/zinc/94/97/10/358949710.db2.gz AHSDVNKXRPDBBS-LLVKDONJSA-N 1 0 202.257 0.826 20 30 BCEDRO C#CC[N@@H+]1CCC[C@@H](CN2CCOCC2)C1 ZINC000069859555 359034539 /nfs/dbraw/zinc/03/45/39/359034539.db2.gz NFSWTXUHKUIUMN-CYBMUJFWSA-N 1 0 222.332 0.664 20 30 BCEDRO COCC#CC[NH2+][C@](C)(CCO)COC ZINC000308846116 491138915 /nfs/dbraw/zinc/13/89/15/491138915.db2.gz AHCCPRHUKMFTOQ-LLVKDONJSA-N 1 0 215.293 0.013 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000611194718 359118924 /nfs/dbraw/zinc/11/89/24/359118924.db2.gz DQNQXLILBAZCNL-LBPRGKRZSA-N 1 0 225.288 0.521 20 30 BCEDRO COCC#CC[N@H+](C[C@@H](C)C(=O)OC)C1CC1 ZINC000611194757 359119088 /nfs/dbraw/zinc/11/90/88/359119088.db2.gz KNVWPUIICRQFOY-LLVKDONJSA-N 1 0 239.315 0.910 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NC(N)=O)c1cccc(C#N)c1 ZINC000611387748 359358298 /nfs/dbraw/zinc/35/82/98/359358298.db2.gz GJDXQTOCRMTQFZ-MRVPVSSYSA-N 1 0 246.270 0.404 20 30 BCEDRO CC(C)[C@@H](C#N)N1CC[NH+](C[C@H](C)CO)CC1 ZINC000611431796 359363866 /nfs/dbraw/zinc/36/38/66/359363866.db2.gz BCQFMVVOWOQXCZ-QWHCGFSZSA-N 1 0 239.363 0.781 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000611432659 359365389 /nfs/dbraw/zinc/36/53/89/359365389.db2.gz IEULRDGGFZUZRR-SRVKXCTJSA-N 1 0 244.404 0.901 20 30 BCEDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000611472243 359376824 /nfs/dbraw/zinc/37/68/24/359376824.db2.gz FNLWNOSODDJODL-BXKDBHETSA-N 1 0 246.314 0.956 20 30 BCEDRO C=C(C)C[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000078621006 359339363 /nfs/dbraw/zinc/33/93/63/359339363.db2.gz MYMIYIKOTBTTJM-UHFFFAOYSA-N 1 0 219.288 0.715 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3ccc(C#N)nn3)[C@H]2C1 ZINC000611510311 359380484 /nfs/dbraw/zinc/38/04/84/359380484.db2.gz WNYZLSOLMYANOU-PWSUYJOCSA-N 1 0 243.314 0.879 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CCCO)C1CC1 ZINC000404274164 359413379 /nfs/dbraw/zinc/41/33/79/359413379.db2.gz CXVZHOZETOICDL-UHFFFAOYSA-N 1 0 212.293 0.135 20 30 BCEDRO COCC#CC[NH2+]C1(CO)CCCCC1 ZINC000308950507 491140912 /nfs/dbraw/zinc/14/09/12/491140912.db2.gz OZJUDUVZMKFZFM-UHFFFAOYSA-N 1 0 211.305 0.921 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CCC(N)=O ZINC000572394826 359483012 /nfs/dbraw/zinc/48/30/12/359483012.db2.gz WULCDNZBXGGZKT-GXSJLCMTSA-N 1 0 212.293 0.433 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CCC(N)=O ZINC000572394828 359483206 /nfs/dbraw/zinc/48/32/06/359483206.db2.gz WULCDNZBXGGZKT-MWLCHTKSSA-N 1 0 212.293 0.433 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)[C@H]2CN(C)CCO2)C1 ZINC000628489160 359614909 /nfs/dbraw/zinc/61/49/09/359614909.db2.gz QJMBZDCHPBMAEW-NWDGAFQWSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCCn1cc(C(=O)NC2CC[NH2+]CC2)nn1 ZINC000424054519 192857556 /nfs/dbraw/zinc/85/75/56/192857556.db2.gz AMSAZHVSJKBGIR-UHFFFAOYSA-N 1 0 249.318 0.336 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000612102901 359649331 /nfs/dbraw/zinc/64/93/31/359649331.db2.gz GAYYDBZIKVLZGQ-NRUUGDAUSA-N 1 0 238.331 0.665 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)NCCCC#N)C1 ZINC000612141966 359701946 /nfs/dbraw/zinc/70/19/46/359701946.db2.gz YIQIVGFMRYKNNL-SNVBAGLBSA-N 1 0 224.308 0.684 20 30 BCEDRO C[C@@H](O)C[N@H+](CC1(C#N)CCC1)[C@@H](C)CO ZINC000450830509 202281663 /nfs/dbraw/zinc/28/16/63/202281663.db2.gz ODMLJPXWCNYOLZ-WDEREUQCSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@H](O)C[N@H+](CC1(C#N)CCC1)[C@@H](C)CO ZINC000450830508 202281904 /nfs/dbraw/zinc/28/19/04/202281904.db2.gz ODMLJPXWCNYOLZ-QWRGUYRKSA-N 1 0 226.320 0.744 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000612303636 359777121 /nfs/dbraw/zinc/77/71/21/359777121.db2.gz JTWTWJHSZVYGSY-GDPRMGEGSA-N 1 0 224.304 0.132 20 30 BCEDRO C[C@H]1C[N@H+](CCO)CCN1c1ccc(C#N)cn1 ZINC000450950846 202319392 /nfs/dbraw/zinc/31/93/92/202319392.db2.gz DTWYNTJNZRHUEI-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO C[C@H]1C[N@H+](CCO)CCN1c1cccc(C#N)n1 ZINC000450956609 202319811 /nfs/dbraw/zinc/31/98/11/202319811.db2.gz RWRSRXGPAVYEGY-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(c2ncncc2C#N)C1 ZINC000578438446 366565009 /nfs/dbraw/zinc/56/50/09/366565009.db2.gz CYFTZPFMQMIKTI-SNVBAGLBSA-N 1 0 231.303 0.736 20 30 BCEDRO CC#CC[N@H+]1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000451128585 202359614 /nfs/dbraw/zinc/35/96/14/202359614.db2.gz BWSLQMZREPWTAJ-LLVKDONJSA-N 1 0 237.299 0.521 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)N1CC[C@@H](F)C1 ZINC000451189318 202372857 /nfs/dbraw/zinc/37/28/57/202372857.db2.gz PBBSQGKZFVNICJ-NXEZZACHSA-N 1 0 227.283 0.791 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000614012233 363700220 /nfs/dbraw/zinc/70/02/20/363700220.db2.gz XMGBAOJGYKGFGQ-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO Cc1nc(C#N)c(C#N)n1CC[C@@H]1CC[NH2+]C1 ZINC000578623851 366609841 /nfs/dbraw/zinc/60/98/41/366609841.db2.gz PWHQAVPAHPVOJI-JTQLQIEISA-N 1 0 229.287 0.934 20 30 BCEDRO C=CCCCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000578865304 366659855 /nfs/dbraw/zinc/65/98/55/366659855.db2.gz MAYXRNRXELVMFO-NSHDSACASA-N 1 0 225.336 0.444 20 30 BCEDRO COC(=O)CN(CC#N)CC[C@@H]1CCC[N@@H+]1C ZINC000089614911 360031019 /nfs/dbraw/zinc/03/10/19/360031019.db2.gz BCEYNUAONIYLBL-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C(F)(F)F ZINC000451611035 202447727 /nfs/dbraw/zinc/44/77/27/202447727.db2.gz VXLWRHPYUHWZMB-CSMHCCOUSA-N 1 0 225.210 0.843 20 30 BCEDRO C=CCOc1ccccc1C[NH2+]C[C@H](O)CO ZINC000090282479 360067995 /nfs/dbraw/zinc/06/79/95/360067995.db2.gz QIVVLDSJUGMBJI-LBPRGKRZSA-N 1 0 237.299 0.694 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@@]1(C)CC[NH2+]C1 ZINC000612892532 360163157 /nfs/dbraw/zinc/16/31/57/360163157.db2.gz UPDRVZHJBOLKOA-LBPRGKRZSA-N 1 0 241.335 0.630 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612983291 360225521 /nfs/dbraw/zinc/22/55/21/360225521.db2.gz LZFGGYUZBJWFFX-LLVKDONJSA-N 1 0 235.331 0.841 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000094460944 360308747 /nfs/dbraw/zinc/30/87/47/360308747.db2.gz PVQJPPSNCURSCL-NXEZZACHSA-N 1 0 243.332 0.008 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000309409069 491148789 /nfs/dbraw/zinc/14/87/89/491148789.db2.gz BKWLVVWSHHLWPG-VWYCJHECSA-N 1 0 226.320 0.428 20 30 BCEDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CC#CCOC ZINC000309489667 491149662 /nfs/dbraw/zinc/14/96/62/491149662.db2.gz WQPNZVASJVVARI-NWDGAFQWSA-N 1 0 227.304 0.420 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CCCC[N@@H+](C)C1 ZINC000628752373 360633243 /nfs/dbraw/zinc/63/32/43/360633243.db2.gz XFVAVQQZJVJFTF-DGCLKSJQSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629171977 360919289 /nfs/dbraw/zinc/91/92/89/360919289.db2.gz LRDFJHSTKVQKTH-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCCn1cc(C(=O)N2CC[C@H]([NH3+])[C@@H]2C)nn1 ZINC000424180900 200878090 /nfs/dbraw/zinc/87/80/90/200878090.db2.gz WRMQKTQBDWAQAV-UWVGGRQHSA-N 1 0 249.318 0.416 20 30 BCEDRO C=CCCn1cc(C(=O)NCC[NH2+]CC)nn1 ZINC000424079942 200856766 /nfs/dbraw/zinc/85/67/66/200856766.db2.gz RTUIGRYVMGLLJO-UHFFFAOYSA-N 1 0 237.307 0.194 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CC(CC(=O)OC)C1 ZINC000424343997 200918772 /nfs/dbraw/zinc/91/87/72/200918772.db2.gz GMWNOIHEPUDBAM-HWOCKDDLSA-N 1 0 213.277 0.465 20 30 BCEDRO C=C(C)CC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428775518 201041884 /nfs/dbraw/zinc/04/18/84/201041884.db2.gz ZUGBVIOWXKMFAX-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO CCC[N@H+](CCCSCC#N)CC(N)=O ZINC000429132209 201070139 /nfs/dbraw/zinc/07/01/39/201070139.db2.gz LMTGAVVYLGSFJY-UHFFFAOYSA-N 1 0 229.349 0.831 20 30 BCEDRO C[NH+]1CCC(CCNC(=O)CC#N)CC1 ZINC000162559976 361355665 /nfs/dbraw/zinc/35/56/65/361355665.db2.gz CVGFNUJNOWBJMX-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC000614340547 363788283 /nfs/dbraw/zinc/78/82/83/363788283.db2.gz KYSGPLNPAKPJTB-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000614340549 363788430 /nfs/dbraw/zinc/78/84/30/363788430.db2.gz KYSGPLNPAKPJTB-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000614393763 363789287 /nfs/dbraw/zinc/78/92/87/363789287.db2.gz JMFCLCSDIDFPLD-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000579357357 366769318 /nfs/dbraw/zinc/76/93/18/366769318.db2.gz WNZNWTBMPVWRCR-AXTSPUMRSA-N 1 0 207.277 0.532 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)c1c[nH]c(C#N)c1 ZINC000181272586 366799857 /nfs/dbraw/zinc/79/98/57/366799857.db2.gz ITDXCNSOYFGDIR-UHFFFAOYSA-N 1 0 234.303 0.956 20 30 BCEDRO C[C@@H](CC#N)N(C)CC[N@@H+]1CCCOCC1 ZINC000429701338 201127820 /nfs/dbraw/zinc/12/78/20/201127820.db2.gz VBXGXKPZZHXQDU-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO COCCN1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000429711651 201128951 /nfs/dbraw/zinc/12/89/51/201128951.db2.gz QKXAGACSJGDSER-OLZOCXBDSA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000429773774 201131227 /nfs/dbraw/zinc/13/12/27/201131227.db2.gz RJVMMVWFQFAXLH-QJPTWQEYSA-N 1 0 240.347 0.818 20 30 BCEDRO C[N@H+](CCN1CCOCC1)[C@H]1CC[C@H](C#N)C1 ZINC000448524350 201160715 /nfs/dbraw/zinc/16/07/15/201160715.db2.gz HFKUZNPWYGZEPJ-STQMWFEESA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCN1CC[C@@H](N(CC)CC[NH3+])C1=O ZINC000629558028 361452266 /nfs/dbraw/zinc/45/22/66/361452266.db2.gz OGZMQLCODFRZNQ-SNVBAGLBSA-N 1 0 211.309 0.054 20 30 BCEDRO CCC[N@H+](C)CC(=O)N[C@](C)(C#N)COC ZINC000433967394 201200947 /nfs/dbraw/zinc/20/09/47/201200947.db2.gz ZCILDUTYYONDJG-LLVKDONJSA-N 1 0 227.308 0.373 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@H](O)C[NH+]1CCCCC1 ZINC000434456835 201218735 /nfs/dbraw/zinc/21/87/35/201218735.db2.gz PBGRJWRWVJRMKT-MNOVXSKESA-N 1 0 239.319 0.109 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000435226581 201255874 /nfs/dbraw/zinc/25/58/74/201255874.db2.gz PEOYAMRHIOOQAG-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=C(C)CS(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000435427992 201270151 /nfs/dbraw/zinc/27/01/51/201270151.db2.gz OJCOGLMCMMCPRN-JTQLQIEISA-N 1 0 246.376 0.965 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]Cc1cn(C)nn1 ZINC000435735458 201285195 /nfs/dbraw/zinc/28/51/95/201285195.db2.gz NBHIFOIIHLJHTJ-CMPLNLGQSA-N 1 0 236.319 0.886 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)NCC(C)(C)[NH+](C)C ZINC000448578684 201335689 /nfs/dbraw/zinc/33/56/89/201335689.db2.gz BCJJDTKXCPMVEW-UHFFFAOYSA-N 1 0 248.330 0.967 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)NCC(C)(C)[NH+](C)C ZINC000448581117 201341248 /nfs/dbraw/zinc/34/12/48/201341248.db2.gz IRZOMDNVJPWPBZ-BXKDBHETSA-N 1 0 223.320 0.993 20 30 BCEDRO N#CC1(CN2CC[C@H](n3cncn3)C2)CC1 ZINC000614419010 363809195 /nfs/dbraw/zinc/80/91/95/363809195.db2.gz QQKYIWOTOBRMBR-JTQLQIEISA-N 1 0 217.276 0.829 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@](C)(CCO)COC ZINC000150877925 192937796 /nfs/dbraw/zinc/93/77/96/192937796.db2.gz WFLDOTIXSZZKED-VXGBXAGGSA-N 1 0 231.336 0.691 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H](C)C[NH+](C)C ZINC000452008187 202508939 /nfs/dbraw/zinc/50/89/39/202508939.db2.gz SHNNEHRRFXJWDN-UTUOFQBUSA-N 1 0 240.347 0.891 20 30 BCEDRO C=CCCN(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242509 363836402 /nfs/dbraw/zinc/83/64/02/363836402.db2.gz SGCBAVNVFWSDOV-VHSXEESVSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627242930 363841443 /nfs/dbraw/zinc/84/14/43/363841443.db2.gz YDOSBPLUIWXASP-GARJFASQSA-N 1 0 241.335 0.221 20 30 BCEDRO C[C@@H]1OCC[C@H]1NC(=O)NCC[NH+]1CCC1 ZINC000328948213 541328995 /nfs/dbraw/zinc/32/89/95/541328995.db2.gz MWGXXOKMYPWMMH-VHSXEESVSA-N 1 0 227.308 0.373 20 30 BCEDRO C=C(C)COCCNC(=O)NCC[NH2+]C ZINC000417893888 219933265 /nfs/dbraw/zinc/93/32/65/219933265.db2.gz SIJNYIBBOPBXPK-UHFFFAOYSA-N 1 0 215.297 0.098 20 30 BCEDRO C=CCNC(=O)Cn1cc([C@](C)([NH3+])CC)nn1 ZINC000630610996 364339130 /nfs/dbraw/zinc/33/91/30/364339130.db2.gz UMELIKJYFIHTTA-LLVKDONJSA-N 1 0 237.307 0.164 20 30 BCEDRO CC(C)C[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000074994104 364302164 /nfs/dbraw/zinc/30/21/64/364302164.db2.gz XDUYGITWRVHRBV-LLVKDONJSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCCn1cc(C[C@@H]([NH3+])COC)nn1 ZINC000630590661 364303111 /nfs/dbraw/zinc/30/31/11/364303111.db2.gz LAGKLKIYVRDKFB-SECBINFHSA-N 1 0 210.281 0.370 20 30 BCEDRO C=C(CC)Cn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000630590853 364303322 /nfs/dbraw/zinc/30/33/22/364303322.db2.gz PJFHKWDHVXSPGT-UHFFFAOYSA-N 1 0 246.318 0.948 20 30 BCEDRO C=CCCn1cc(C[C@@H]([NH3+])CCOC)nn1 ZINC000630590638 364304077 /nfs/dbraw/zinc/30/40/77/364304077.db2.gz KOFVAKGTMXCQBM-JTQLQIEISA-N 1 0 224.308 0.761 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)OC ZINC000134402598 364402998 /nfs/dbraw/zinc/40/29/98/364402998.db2.gz RJUOUIVYHNRTOK-IUCAKERBSA-N 1 0 200.282 0.302 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](COC)C1CC1 ZINC000136672031 364475727 /nfs/dbraw/zinc/47/57/27/364475727.db2.gz YROMWQBOMMXNOS-KOLCDFICSA-N 1 0 226.320 0.692 20 30 BCEDRO C[C@H]1C[C@@]1(C#N)C(=O)NCC[NH+]1CCCC1 ZINC000448608411 201418629 /nfs/dbraw/zinc/41/86/29/201418629.db2.gz WBZIBFYMSADXJX-JQWIXIFHSA-N 1 0 221.304 0.748 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615308147 364684274 /nfs/dbraw/zinc/68/42/74/364684274.db2.gz LJAWXSXXALUXEW-GHMZBOCLSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)CC[C@H](C)O ZINC000253195758 364684346 /nfs/dbraw/zinc/68/43/46/364684346.db2.gz RXJBWTAKWWMQOB-VHSXEESVSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C[C@@H](CO)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000289630199 364768279 /nfs/dbraw/zinc/76/82/79/364768279.db2.gz FEGZZFJPVWSEGF-WPRPVWTQSA-N 1 0 209.293 0.926 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)c1 ZINC000573521909 364852214 /nfs/dbraw/zinc/85/22/14/364852214.db2.gz SVCDYWBPDLAJMA-UONOGXRCSA-N 1 0 246.310 0.733 20 30 BCEDRO N#CC1(CN2CCC(N3CN=NC3=O)CC2)CC1 ZINC000573742179 364904742 /nfs/dbraw/zinc/90/47/42/364904742.db2.gz WPOHNBCWFBGZBI-UHFFFAOYSA-N 1 0 247.302 0.924 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418401334 219960379 /nfs/dbraw/zinc/96/03/79/219960379.db2.gz HWJUBSOCJRCENZ-WDEREUQCSA-N 1 0 243.351 0.596 20 30 BCEDRO CC#CCN(C)C(=O)NCCC[NH2+]CC ZINC000573701362 364898170 /nfs/dbraw/zinc/89/81/70/364898170.db2.gz RGIURZOODARFRW-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccoc1 ZINC000573833836 364927506 /nfs/dbraw/zinc/92/75/06/364927506.db2.gz CSWUMYPIBNSWEX-LBPRGKRZSA-N 1 0 237.303 0.576 20 30 BCEDRO N#CC1(CNC(=O)NCC[NH+]2CCC2)CC1 ZINC000573873996 364936680 /nfs/dbraw/zinc/93/66/80/364936680.db2.gz BMBQMKYQDKYFSE-UHFFFAOYSA-N 1 0 222.292 0.295 20 30 BCEDRO CSC[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000574150756 364996971 /nfs/dbraw/zinc/99/69/71/364996971.db2.gz IYUMEAKQASCGCB-MRVPVSSYSA-N 1 0 200.307 0.604 20 30 BCEDRO N#Cc1ccncc1N1CCC([NH2+]CCO)CC1 ZINC000574246964 365018503 /nfs/dbraw/zinc/01/85/03/365018503.db2.gz CDQNABURXHYFLF-UHFFFAOYSA-N 1 0 246.314 0.504 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CC=CCC1 ZINC000574271613 365024387 /nfs/dbraw/zinc/02/43/87/365024387.db2.gz VWZIDHWFAUWLBI-CHWSQXEVSA-N 1 0 237.347 0.891 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC=CCC1 ZINC000574271615 365025035 /nfs/dbraw/zinc/02/50/35/365025035.db2.gz VWZIDHWFAUWLBI-QWHCGFSZSA-N 1 0 237.347 0.891 20 30 BCEDRO COC[C@](C)([NH3+])CNc1cncc(C#N)n1 ZINC000574752538 365135633 /nfs/dbraw/zinc/13/56/33/365135633.db2.gz VVWIXHLFUGBNQG-SNVBAGLBSA-N 1 0 221.264 0.124 20 30 BCEDRO C[C@H](C1CC1)[N@H+](CC(=O)NCC#N)C1CC1 ZINC000171732201 365230149 /nfs/dbraw/zinc/23/01/49/365230149.db2.gz DUHPIMZEBMXRFS-SECBINFHSA-N 1 0 221.304 0.889 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccncc1 ZINC000575741535 365348109 /nfs/dbraw/zinc/34/81/09/365348109.db2.gz MXTIBJCRFRPDQO-CYBMUJFWSA-N 1 0 248.330 0.378 20 30 BCEDRO C=CCOCC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000575915644 365412228 /nfs/dbraw/zinc/41/22/28/365412228.db2.gz GFWMYPVSFWAMRX-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO CC(C)C[N@H+](CCOCCC#N)CC(N)=O ZINC000338902110 365440294 /nfs/dbraw/zinc/44/02/94/365440294.db2.gz ILJMLYLSGTYKFF-UHFFFAOYSA-N 1 0 227.308 0.360 20 30 BCEDRO CCC[N@H+](CCOCCC#N)CC(=O)N(C)C ZINC000338918553 365442143 /nfs/dbraw/zinc/44/21/43/365442143.db2.gz AUZCUTYGKDWLJX-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO N#CCCOCC[N@@H+](CCO)C1CCC1 ZINC000339113964 365449831 /nfs/dbraw/zinc/44/98/31/365449831.db2.gz NCKNOMDDKPLNMA-UHFFFAOYSA-N 1 0 212.293 0.763 20 30 BCEDRO C[C@H]1[C@@H](CO)CC[N@@H+]1CCOCCC#N ZINC000339135899 365450667 /nfs/dbraw/zinc/45/06/67/365450667.db2.gz WSYHLMMXHRLLDL-WDEREUQCSA-N 1 0 212.293 0.619 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000182841393 366950369 /nfs/dbraw/zinc/95/03/69/366950369.db2.gz ASLHXZMVZCRYNN-GHMZBOCLSA-N 1 0 236.319 0.636 20 30 BCEDRO C[NH2+]CCS[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000564925599 325827269 /nfs/dbraw/zinc/82/72/69/325827269.db2.gz DKUFMQUJZOGMMG-SECBINFHSA-N 1 0 241.360 0.890 20 30 BCEDRO C[C@@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)N(C)C ZINC000380246760 366992497 /nfs/dbraw/zinc/99/24/97/366992497.db2.gz OJOJHERJKMLMDX-KXUCPTDWSA-N 1 0 209.293 0.745 20 30 BCEDRO C=C(C)CS(=O)(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000184435422 367077505 /nfs/dbraw/zinc/07/75/05/367077505.db2.gz BQVSHMKPDIJMSD-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000184423920 367077676 /nfs/dbraw/zinc/07/76/76/367077676.db2.gz NCEBGNRJFSPDOR-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000368562231 367111384 /nfs/dbraw/zinc/11/13/84/367111384.db2.gz OHOLMRLQOLQQQL-WCBMZHEXSA-N 1 0 200.257 0.769 20 30 BCEDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C1(C#N)CCCC1 ZINC000580841170 367185406 /nfs/dbraw/zinc/18/54/06/367185406.db2.gz QRACXQFGVGDXJG-RKDXNWHRSA-N 1 0 209.293 0.922 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000580783826 367165343 /nfs/dbraw/zinc/16/53/43/367165343.db2.gz WRTXCXZMQYHFSX-MNOVXSKESA-N 1 0 237.303 0.079 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)c2cnccc2C#N)C1 ZINC000258884691 370858252 /nfs/dbraw/zinc/85/82/52/370858252.db2.gz GRJJQFDBXRKLLU-SNVBAGLBSA-N 1 0 244.298 0.635 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)CCOCC ZINC000581191130 367289852 /nfs/dbraw/zinc/28/98/52/367289852.db2.gz MBGJXWMTSUBKIN-QWRGUYRKSA-N 1 0 217.309 0.301 20 30 BCEDRO C=CCOCCC[N@@H+]1CCC[C@]12CCNC2=O ZINC000581497457 367526710 /nfs/dbraw/zinc/52/67/10/367526710.db2.gz WHNXSQWHAOTGNL-CYBMUJFWSA-N 1 0 238.331 0.934 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@](C)(CC)OC ZINC000383080599 367592528 /nfs/dbraw/zinc/59/25/28/367592528.db2.gz TXWPZKJSHIZLSG-CYBMUJFWSA-N 1 0 240.347 0.873 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COC ZINC000565712148 325947013 /nfs/dbraw/zinc/94/70/13/325947013.db2.gz MZONGEJWCQXEDK-DCAQKATOSA-N 1 0 215.293 0.174 20 30 BCEDRO CC1(C(N)=O)C[NH+](CCCSCC#N)C1 ZINC000565831460 325962237 /nfs/dbraw/zinc/96/22/37/325962237.db2.gz ROFJNDXAPIKJEP-UHFFFAOYSA-N 1 0 227.333 0.440 20 30 BCEDRO CCCN(CC#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000386237360 367935764 /nfs/dbraw/zinc/93/57/64/367935764.db2.gz NYIISNFBPMKXCC-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)CCCCO)CC1 ZINC000630941436 368007083 /nfs/dbraw/zinc/00/70/83/368007083.db2.gz CVVCAUKTZZIHIE-UHFFFAOYSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000615600442 368128351 /nfs/dbraw/zinc/12/83/51/368128351.db2.gz CDZBLUMPZLRPKO-WCQYABFASA-N 1 0 238.331 0.478 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000387186932 368098455 /nfs/dbraw/zinc/09/84/55/368098455.db2.gz FRJRNNBCLDJJJO-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC000387477294 368227109 /nfs/dbraw/zinc/22/71/09/368227109.db2.gz UPPTYQWZMMQIFU-VXGBXAGGSA-N 1 0 231.336 0.955 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](O)CO[C@H](C)COC ZINC000387477288 368227247 /nfs/dbraw/zinc/22/72/47/368227247.db2.gz UPPTYQWZMMQIFU-NEPJUHHUSA-N 1 0 231.336 0.955 20 30 BCEDRO Cc1cc(C[NH2+]CC2(CO)COC2)ccc1C#N ZINC000443984901 201606167 /nfs/dbraw/zinc/60/61/67/201606167.db2.gz FPBLOEVPGYRFRL-UHFFFAOYSA-N 1 0 246.310 0.965 20 30 BCEDRO C=CC[NH+](CC=C)C[C@H](O)CN1CCOCC1 ZINC000061170764 368559322 /nfs/dbraw/zinc/55/93/22/368559322.db2.gz XQTGMNJMTCLIDS-ZDUSSCGKSA-N 1 0 240.347 0.354 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccccc1OC ZINC000064615581 368609029 /nfs/dbraw/zinc/60/90/29/368609029.db2.gz KBXJTRCOVLZXTM-UHFFFAOYSA-N 1 0 246.310 0.924 20 30 BCEDRO CC(C)([NH3+])CNC(=O)C1(C#N)CCCC1 ZINC000567119299 326119005 /nfs/dbraw/zinc/11/90/05/326119005.db2.gz DZCXTDFRUFJDNZ-UHFFFAOYSA-N 1 0 209.293 0.924 20 30 BCEDRO [NH2+]=C(NCc1ccccc1O)NC1CC1 ZINC000066245220 368642506 /nfs/dbraw/zinc/64/25/06/368642506.db2.gz YMJUKDIALQXAEN-UHFFFAOYSA-N 1 0 205.261 0.959 20 30 BCEDRO CCC[N@@H+](CC(=O)NCC#N)CC1CC1 ZINC000066656986 368656024 /nfs/dbraw/zinc/65/60/24/368656024.db2.gz NWWGRMBVMWYGDM-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCOC[C@H]2C#N)C1 ZINC000259867894 370949303 /nfs/dbraw/zinc/94/93/03/370949303.db2.gz JEJMSXHYFQTELD-WDEREUQCSA-N 1 0 237.303 0.079 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000615984361 368854332 /nfs/dbraw/zinc/85/43/32/368854332.db2.gz FCEDAZYDECVKDP-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCCC[N@@H+](C)C1CC1 ZINC000616185062 369017598 /nfs/dbraw/zinc/01/75/98/369017598.db2.gz RYXXISTUMNZZPE-LLVKDONJSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000617923833 369049826 /nfs/dbraw/zinc/04/98/26/369049826.db2.gz JJXWGYIBQFTHEM-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000458094246 203131306 /nfs/dbraw/zinc/13/13/06/203131306.db2.gz PIYKEDQLZJEOAI-NSHDSACASA-N 1 0 225.336 0.991 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H](C)C[NH+]1CCC(C)CC1 ZINC000618982507 369251911 /nfs/dbraw/zinc/25/19/11/369251911.db2.gz DOIMFTRMBPGZKL-VXGBXAGGSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000459084865 203232811 /nfs/dbraw/zinc/23/28/11/203232811.db2.gz UUFDNVIPMUQMQC-GFCCVEGCSA-N 1 0 241.335 0.318 20 30 BCEDRO C[N@@H+]1CC[C@]2(CCN(c3cncc(C#N)n3)C2)C1 ZINC000401312354 369361081 /nfs/dbraw/zinc/36/10/81/369361081.db2.gz WIFKMMMXGXSLEN-ZDUSSCGKSA-N 1 0 243.314 0.880 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)C(=O)NCC ZINC000459562752 203301455 /nfs/dbraw/zinc/30/14/55/203301455.db2.gz PDPYINFKLBYLSK-SNVBAGLBSA-N 1 0 228.336 0.818 20 30 BCEDRO C=CCC[C@H](O)C[NH2+]C(C)(C)C(=O)NCC ZINC000459562751 203301880 /nfs/dbraw/zinc/30/18/80/203301880.db2.gz PDPYINFKLBYLSK-JTQLQIEISA-N 1 0 228.336 0.818 20 30 BCEDRO N#Cc1cncc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000401534281 369368630 /nfs/dbraw/zinc/36/86/30/369368630.db2.gz XMBORPCONTVRJR-NXEZZACHSA-N 1 0 229.287 0.394 20 30 BCEDRO C=CCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108536448 369396460 /nfs/dbraw/zinc/39/64/60/369396460.db2.gz MHOHKTGJZYQUFZ-NSHDSACASA-N 1 0 223.320 0.956 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)CSCC#N)C1 ZINC000060411168 369478639 /nfs/dbraw/zinc/47/86/39/369478639.db2.gz HDLZRNCCCWKWIQ-VIFPVBQESA-N 1 0 227.333 0.454 20 30 BCEDRO CC(C)C[C@@H](C#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000260196754 370983226 /nfs/dbraw/zinc/98/32/26/370983226.db2.gz VESBJUKESSGVLE-MNOVXSKESA-N 1 0 223.320 0.993 20 30 BCEDRO N#Cc1cncnc1N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000304466655 369517995 /nfs/dbraw/zinc/51/79/95/369517995.db2.gz FWCOGNRDBCEYPV-AOOOYVTPSA-N 1 0 215.260 0.004 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]C2CCN(CCO)CC2)C1 ZINC000619673341 369522476 /nfs/dbraw/zinc/52/24/76/369522476.db2.gz GXHZFMGVLYWDKL-AAEUAGOBSA-N 1 0 237.347 0.725 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000619718774 369548613 /nfs/dbraw/zinc/54/86/13/369548613.db2.gz WMDRTJLQMRSBRS-VXGBXAGGSA-N 1 0 240.347 0.988 20 30 BCEDRO C=C[C@@H](C(=O)OC)N(C)CC1(CO)CC1 ZINC000619722116 369552581 /nfs/dbraw/zinc/55/25/81/369552581.db2.gz JQXLNFNYJSQKNE-VIFPVBQESA-N 1 0 213.277 0.418 20 30 BCEDRO C[C@H]([NH3+])[C@@H]1CN(Cc2ccc(C#N)o2)CCO1 ZINC000600769037 369562795 /nfs/dbraw/zinc/56/27/95/369562795.db2.gz KCMWGHCLRBFPPS-CABZTGNLSA-N 1 0 235.287 0.699 20 30 BCEDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccc(C#N)o2)CCO1 ZINC000600769038 369563490 /nfs/dbraw/zinc/56/34/90/369563490.db2.gz KCMWGHCLRBFPPS-JOYOIKCWSA-N 1 0 235.287 0.699 20 30 BCEDRO CN(Cc1ccc(C#N)o1)[C@H]1CC[NH2+]C1 ZINC000600768211 369563575 /nfs/dbraw/zinc/56/35/75/369563575.db2.gz FSTCQMIHIUFNNK-VIFPVBQESA-N 1 0 205.261 0.945 20 30 BCEDRO N#Cc1ccc(CNCC2([NH3+])CCOCC2)o1 ZINC000600772523 369564618 /nfs/dbraw/zinc/56/46/18/369564618.db2.gz DISOOTIYEUZVBP-UHFFFAOYSA-N 1 0 235.287 0.749 20 30 BCEDRO C[NH2+]C1(CNC(=O)c2cc(C#N)ccn2)CCC1 ZINC000600827852 369568501 /nfs/dbraw/zinc/56/85/01/369568501.db2.gz YZQOYAZCCQKGJU-UHFFFAOYSA-N 1 0 244.298 0.825 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CN1Cc1ccncc1C#N ZINC000601329586 369621147 /nfs/dbraw/zinc/62/11/47/369621147.db2.gz KMWFNRCPIKLYFO-JOYOIKCWSA-N 1 0 216.288 0.875 20 30 BCEDRO Cc1cc(C#N)cc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)n1 ZINC000601166877 369598896 /nfs/dbraw/zinc/59/88/96/369598896.db2.gz VYAQBWBEVKBNCH-RYUDHWBXSA-N 1 0 246.314 0.373 20 30 BCEDRO N#Cc1cc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)ncn1 ZINC000601980751 369731207 /nfs/dbraw/zinc/73/12/07/369731207.db2.gz OHWXBPXCOHYUFD-GXSJLCMTSA-N 1 0 229.287 0.536 20 30 BCEDRO N#Cc1cc(N2CC[NH2+]CC2)nc(C2CC2)n1 ZINC000601980463 369732188 /nfs/dbraw/zinc/73/21/88/369732188.db2.gz JWARNPZDXHPINP-UHFFFAOYSA-N 1 0 229.287 0.635 20 30 BCEDRO N#Cc1nccc(N2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000601980320 369732346 /nfs/dbraw/zinc/73/23/46/369732346.db2.gz ICBXXTMDHDBRNO-ZDUSSCGKSA-N 1 0 243.314 0.928 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+]Cc1cccc(C#N)n1 ZINC000602535362 369808440 /nfs/dbraw/zinc/80/84/40/369808440.db2.gz LVFYCPOSGYSKCB-SNVBAGLBSA-N 1 0 242.286 0.723 20 30 BCEDRO COCC[C@@](C)(O)C[NH2+]Cc1cccc(C#N)n1 ZINC000602547073 369809826 /nfs/dbraw/zinc/80/98/26/369809826.db2.gz PLPKTRCGKHOKGG-CYBMUJFWSA-N 1 0 249.314 0.830 20 30 BCEDRO CC(C)(O)C[NH2+]Cc1cccc(C#N)n1 ZINC000602549489 369810039 /nfs/dbraw/zinc/81/00/39/369810039.db2.gz CTAMSCAVQKJIGK-UHFFFAOYSA-N 1 0 205.261 0.814 20 30 BCEDRO COC[C@@](C)(CO)[NH2+]Cc1cccc(C#N)n1 ZINC000602589417 369818792 /nfs/dbraw/zinc/81/87/92/369818792.db2.gz RPVMBWVRTPZEPB-GFCCVEGCSA-N 1 0 235.287 0.440 20 30 BCEDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1cccc(C#N)n1 ZINC000602640939 369833187 /nfs/dbraw/zinc/83/31/87/369833187.db2.gz SMXIENHIHBGIRB-GXFFZTMASA-N 1 0 247.298 0.583 20 30 BCEDRO CN(CC[NH+](C)C)Cc1cccc(C#N)n1 ZINC000602659612 369833641 /nfs/dbraw/zinc/83/36/41/369833641.db2.gz PKBUMYHIIWGFOA-UHFFFAOYSA-N 1 0 218.304 0.947 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCCC(=O)N2)n1 ZINC000602640337 369834285 /nfs/dbraw/zinc/83/42/85/369834285.db2.gz PHRXQFUTFIYYFB-LBPRGKRZSA-N 1 0 244.298 0.712 20 30 BCEDRO C[C@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CS1 ZINC000602654359 369835250 /nfs/dbraw/zinc/83/52/50/369835250.db2.gz LUKDLNYKSRIVNT-IUCAKERBSA-N 1 0 237.332 0.633 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@@H](O)C2CC2)n1 ZINC000602658499 369835907 /nfs/dbraw/zinc/83/59/07/369835907.db2.gz ZKHIQHDKUQCALZ-GFCCVEGCSA-N 1 0 217.272 0.814 20 30 BCEDRO C[C@@]1(C[NH2+]Cc2cccc(C#N)n2)CCC(=O)N1 ZINC000602688391 369841517 /nfs/dbraw/zinc/84/15/17/369841517.db2.gz RUPQPGKZTPWUMJ-ZDUSSCGKSA-N 1 0 244.298 0.712 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](CC(N)=O)C2)n1 ZINC000602665200 369837140 /nfs/dbraw/zinc/83/71/40/369837140.db2.gz UBMGRMZFXIWWCR-JTQLQIEISA-N 1 0 244.298 0.651 20 30 BCEDRO CN(C(=O)Cc1ccc(C#N)nc1)[C@@H]1CC[NH2+]C1 ZINC000602428080 369785871 /nfs/dbraw/zinc/78/58/71/369785871.db2.gz DWJUOKCRKVQWIW-GFCCVEGCSA-N 1 0 244.298 0.316 20 30 BCEDRO N#Cc1cccc(C[N@@H+](CCO)C2CC2)n1 ZINC000602439847 369787072 /nfs/dbraw/zinc/78/70/72/369787072.db2.gz LQGFCRWCXLQXES-UHFFFAOYSA-N 1 0 217.272 0.910 20 30 BCEDRO CN(C)C(=O)CN(C)Cc1cccc(C#N)n1 ZINC000602430919 369788395 /nfs/dbraw/zinc/78/83/95/369788395.db2.gz ABMWKMIIKKMIER-UHFFFAOYSA-N 1 0 232.287 0.473 20 30 BCEDRO CO[C@@](C)(CO)C[NH2+]Cc1cccc(C#N)n1 ZINC000602707014 369844108 /nfs/dbraw/zinc/84/41/08/369844108.db2.gz SDOHLJMZCZAERV-GFCCVEGCSA-N 1 0 235.287 0.440 20 30 BCEDRO C[N@@H+]1CCN(Cc2ccccc2C#N)[C@H](CO)C1 ZINC000602714619 369846020 /nfs/dbraw/zinc/84/60/20/369846020.db2.gz HRTDPDSMFKOUDR-AWEZNQCLSA-N 1 0 245.326 0.667 20 30 BCEDRO C[N@@H+]1CCN(Cc2ccc(C#N)cc2)[C@H](CO)C1 ZINC000602717371 369846030 /nfs/dbraw/zinc/84/60/30/369846030.db2.gz YSKWDMHYQJLPKI-AWEZNQCLSA-N 1 0 245.326 0.667 20 30 BCEDRO N#Cc1cc(C[NH+]2[C@H](CO)CC[C@H]2CO)ccn1 ZINC000602884688 369860007 /nfs/dbraw/zinc/86/00/07/369860007.db2.gz RQKJJSVOLPOIDM-STQMWFEESA-N 1 0 247.298 0.271 20 30 BCEDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000602895615 369860935 /nfs/dbraw/zinc/86/09/35/369860935.db2.gz BEEMCKXLQAALTJ-CHWSQXEVSA-N 1 0 247.298 0.271 20 30 BCEDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000602895618 369861217 /nfs/dbraw/zinc/86/12/17/369861217.db2.gz BEEMCKXLQAALTJ-STQMWFEESA-N 1 0 247.298 0.271 20 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C=C[C@@H](C(=O)OC)N1CCC[N@@H+](CC)CC1 ZINC000307818828 370049597 /nfs/dbraw/zinc/04/95/97/370049597.db2.gz NIKZTADZNXMJBK-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[C@H]1CCC[NH2+]1 ZINC000063093064 370130484 /nfs/dbraw/zinc/13/04/84/370130484.db2.gz OEHHNIYUIFEAON-NXEZZACHSA-N 1 0 209.293 0.889 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C)[C@@H](CO)C1 ZINC000621370873 370306098 /nfs/dbraw/zinc/30/60/98/370306098.db2.gz TYHJNTSHFIXBBQ-TUAOUCFPSA-N 1 0 213.321 0.874 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000621370874 370306789 /nfs/dbraw/zinc/30/67/89/370306789.db2.gz TYHJNTSHFIXBBQ-UTUOFQBUSA-N 1 0 213.321 0.874 20 30 BCEDRO N#Cc1cc(N2CCC[C@H](CC[NH3+])C2)ncn1 ZINC000310381599 370341667 /nfs/dbraw/zinc/34/16/67/370341667.db2.gz PPLOWBFFUJJQJN-SNVBAGLBSA-N 1 0 231.303 0.913 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000310481243 370348025 /nfs/dbraw/zinc/34/80/25/370348025.db2.gz DWNHNGDANLSOLY-YPMHNXCESA-N 1 0 238.331 0.742 20 30 BCEDRO C[N@@H+]1CC[C@]2(CCN(c3ccnc(C#N)n3)C2)C1 ZINC000311222630 370394784 /nfs/dbraw/zinc/39/47/84/370394784.db2.gz PUHOMBXNFFVJML-ZDUSSCGKSA-N 1 0 243.314 0.880 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@H]3CCC[C@@]3([NH3+])C2)C1=O ZINC000621784135 370535305 /nfs/dbraw/zinc/53/53/05/370535305.db2.gz KKMYEOCYDNLIRU-MBNYWOFBSA-N 1 0 249.358 0.587 20 30 BCEDRO Cc1ncsc1CN(C)CC(=O)NCC#N ZINC000066562550 370592339 /nfs/dbraw/zinc/59/23/39/370592339.db2.gz NKAFQNJOSSSCIA-UHFFFAOYSA-N 1 0 238.316 0.523 20 30 BCEDRO CC[C@@H](COC)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000568873317 326380424 /nfs/dbraw/zinc/38/04/24/326380424.db2.gz STCVGYDKYGRAHC-RYUDHWBXSA-N 1 0 243.351 0.207 20 30 BCEDRO C=CCCOCC(=O)NCC[C@H](C)[NH3+] ZINC000389856698 371178270 /nfs/dbraw/zinc/17/82/70/371178270.db2.gz AFCNSBNOSDTWGU-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC000329905729 371211696 /nfs/dbraw/zinc/21/16/96/371211696.db2.gz JRSMKXYDZZNNAJ-OLZOCXBDSA-N 1 0 244.298 0.472 20 30 BCEDRO C[C@@H]1OCC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000125326928 371319868 /nfs/dbraw/zinc/31/98/68/371319868.db2.gz KGELOGAFOJCJRP-JQWIXIFHSA-N 1 0 223.320 0.741 20 30 BCEDRO C=C[C@@H]1CCCCN1c1nc(N)[nH+]c(N)n1 ZINC000624164849 371359828 /nfs/dbraw/zinc/35/98/28/371359828.db2.gz KGBSNTUMJRUMJK-SSDOTTSWSA-N 1 0 220.280 0.242 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC[N@H+]1CC=CCC1 ZINC000392870395 371469496 /nfs/dbraw/zinc/46/94/96/371469496.db2.gz IRQTVBMUTOGQMB-LLVKDONJSA-N 1 0 221.304 0.914 20 30 BCEDRO C[C@@H]([NH3+])[C@H](C)C(=O)N1CCN(CCC#N)CC1 ZINC000157042357 371517911 /nfs/dbraw/zinc/51/79/11/371517911.db2.gz HRTRTLMSGLNESR-WDEREUQCSA-N 1 0 238.335 0.028 20 30 BCEDRO C=CCCCCCNc1nc(N)[nH+]c(N)n1 ZINC000624373002 371495229 /nfs/dbraw/zinc/49/52/29/371495229.db2.gz AHPKPWXKHSENHJ-UHFFFAOYSA-N 1 0 222.296 0.277 20 30 BCEDRO N#Cc1cccn(CC2CC[NH2+]CC2)c1=O ZINC000215517845 371564002 /nfs/dbraw/zinc/56/40/02/371564002.db2.gz AOXGKYQHBSIPIR-UHFFFAOYSA-N 1 0 217.272 0.720 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226030338 371601800 /nfs/dbraw/zinc/60/18/00/371601800.db2.gz DAUFLFGUYRFRTH-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000228060252 371983310 /nfs/dbraw/zinc/98/33/10/371983310.db2.gz DFHKNGNEDFABQX-JTQLQIEISA-N 1 0 246.314 0.767 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCN(CCCF)CC1 ZINC000627962405 372158207 /nfs/dbraw/zinc/15/82/07/372158207.db2.gz MMUMYIYIKRIUCG-SNVBAGLBSA-N 1 0 230.283 0.037 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H]2CCC[C@@H]2O)nn1 ZINC000631251567 372260844 /nfs/dbraw/zinc/26/08/44/372260844.db2.gz ZKVZNABSKYDUMK-RYUDHWBXSA-N 1 0 236.319 0.857 20 30 BCEDRO C#CCN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000189466290 259554256 /nfs/dbraw/zinc/55/42/56/259554256.db2.gz FCWUCGMJGBNZHW-NSHDSACASA-N 1 0 210.321 0.397 20 30 BCEDRO C=C1CC(C)(C(=O)NC[C@@](C)(O)C[NH+](C)C)C1 ZINC000632072055 372747385 /nfs/dbraw/zinc/74/73/85/372747385.db2.gz UIGIFTGPHSILTC-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)CCNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000633018943 373253511 /nfs/dbraw/zinc/25/35/11/373253511.db2.gz XTJYNRLJFFDUKQ-GHMZBOCLSA-N 1 0 241.335 0.710 20 30 BCEDRO C=CC1CCN(C(=O)[C@@H]2CN(C)CCO2)CC1 ZINC000174779364 374262591 /nfs/dbraw/zinc/26/25/91/374262591.db2.gz YMNMDFDGOSPWPL-LBPRGKRZSA-N 1 0 238.331 0.742 20 30 BCEDRO COC(=O)C(C)(C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424090930 206029111 /nfs/dbraw/zinc/02/91/11/206029111.db2.gz CPAIECWBEQWAQU-QMMMGPOBSA-N 1 0 241.291 0.075 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)COCC(C)C ZINC000451595665 206108787 /nfs/dbraw/zinc/10/87/87/206108787.db2.gz DREZSJCNFWMBMA-XQQFMLRXSA-N 1 0 243.347 0.953 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H]1CCC[NH2+]1 ZINC000178920229 134313671 /nfs/dbraw/zinc/31/36/71/134313671.db2.gz OMYVRBAVIIZARV-VIFPVBQESA-N 1 0 218.322 0.234 20 30 BCEDRO CCCNC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000190094339 169183997 /nfs/dbraw/zinc/18/39/97/169183997.db2.gz UPEPAIKFYFXFLB-BBBLOLIVSA-N 1 0 211.309 0.868 20 30 BCEDRO C#CCNC(=[NH2+])NCCc1cccs1 ZINC000262184713 532988075 /nfs/dbraw/zinc/98/80/75/532988075.db2.gz BUXWVUHULAIHOD-UHFFFAOYSA-N 1 0 207.302 0.828 20 30 BCEDRO C=CCn1cc(-c2nc(C[C@@H](C)[NH2+]C)no2)nn1 ZINC000647143624 383822611 /nfs/dbraw/zinc/82/26/11/383822611.db2.gz MWQRWFJXXVKAMR-MRVPVSSYSA-N 1 0 248.290 0.665 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000152562556 383841988 /nfs/dbraw/zinc/84/19/88/383841988.db2.gz KSNKKKICXAILLJ-SDDRHHMPSA-N 1 0 238.331 0.360 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000227515823 134382308 /nfs/dbraw/zinc/38/23/08/134382308.db2.gz KZNCYEWDRPOKSN-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCn1cc(-c2nc([C@H]3CCC[NH2+]3)no2)nn1 ZINC000647143826 383829868 /nfs/dbraw/zinc/82/98/68/383829868.db2.gz CRYVQXNRFWOQFW-MRVPVSSYSA-N 1 0 246.274 0.939 20 30 BCEDRO C=CCn1cc(-c2nc([C@@H]3CCC[NH2+]3)no2)nn1 ZINC000647143827 383830433 /nfs/dbraw/zinc/83/04/33/383830433.db2.gz CRYVQXNRFWOQFW-QMMMGPOBSA-N 1 0 246.274 0.939 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000309397910 383926203 /nfs/dbraw/zinc/92/62/03/383926203.db2.gz UVONLMRHVNTDEZ-NXEZZACHSA-N 1 0 212.293 0.575 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000407991587 383901055 /nfs/dbraw/zinc/90/10/55/383901055.db2.gz WORFKQDZHWLIHP-GMTAPVOTSA-N 1 0 223.320 0.993 20 30 BCEDRO COC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1 ZINC000234789238 383997256 /nfs/dbraw/zinc/99/72/56/383997256.db2.gz WWYLZJSDJRIRJE-LBPRGKRZSA-N 1 0 220.272 0.655 20 30 BCEDRO CS(=O)(=O)N[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000116890228 383954688 /nfs/dbraw/zinc/95/46/88/383954688.db2.gz WYOLBBFQCAARIO-JTQLQIEISA-N 1 0 245.348 0.304 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1C ZINC000070831286 383964250 /nfs/dbraw/zinc/96/42/50/383964250.db2.gz DKBIMKLAVDPFIZ-DCAQKATOSA-N 1 0 208.305 0.903 20 30 BCEDRO C#CCNC(=O)N1CC[NH+](C(C)C)CC1 ZINC000298633048 383965156 /nfs/dbraw/zinc/96/51/56/383965156.db2.gz AQIXJCGCJASXRK-UHFFFAOYSA-N 1 0 209.293 0.355 20 30 BCEDRO Cc1cc(C#N)cc(NC(=O)NC2C[NH2+]C2)c1 ZINC000334856246 383969933 /nfs/dbraw/zinc/96/99/33/383969933.db2.gz MSZPZXGIXLBZKD-UHFFFAOYSA-N 1 0 230.271 0.960 20 30 BCEDRO CCC[N@H+](C)CC(=O)NCC(C)(C)C#N ZINC000332467075 384009774 /nfs/dbraw/zinc/00/97/74/384009774.db2.gz KOEFQACBXVLVCU-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1cncnc1OC ZINC000647216128 384010882 /nfs/dbraw/zinc/01/08/82/384010882.db2.gz WANORFXPEJVVEV-NSHDSACASA-N 1 0 237.303 0.902 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000646880699 384013865 /nfs/dbraw/zinc/01/38/65/384013865.db2.gz ZCPAMTQZOHNMGF-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CCO)CCCC ZINC000049800280 384043393 /nfs/dbraw/zinc/04/33/93/384043393.db2.gz MPFJEELGXUYTCL-UHFFFAOYSA-N 1 0 214.309 0.383 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)Cc1cn(C)nn1 ZINC000569448334 384051395 /nfs/dbraw/zinc/05/13/95/384051395.db2.gz ZNNBJFZDSWPZSH-UHFFFAOYSA-N 1 0 237.351 0.755 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000647255872 384030885 /nfs/dbraw/zinc/03/08/85/384030885.db2.gz VLYGQFLBFBWRCP-LLVKDONJSA-N 1 0 246.376 0.822 20 30 BCEDRO CN(CC#N)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363460339 384060230 /nfs/dbraw/zinc/06/02/30/384060230.db2.gz BBFBVUFRDYPMPA-CYBMUJFWSA-N 1 0 236.363 0.610 20 30 BCEDRO CNC(=O)CC[N@H+](C)CC1(CC#N)CC1 ZINC000234348728 384065644 /nfs/dbraw/zinc/06/56/44/384065644.db2.gz ULBGUAWJYKJKIJ-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C#CCC[N@@H+]1C[C@H](N2CCOCC2)[C@@H](C)C1 ZINC000363466034 384069964 /nfs/dbraw/zinc/06/99/64/384069964.db2.gz AQWBIORXWQOHQG-STQMWFEESA-N 1 0 222.332 0.662 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NCC[NH+]1CCCC1 ZINC000177659676 384128729 /nfs/dbraw/zinc/12/87/29/384128729.db2.gz MLRQZDMQCTUZLF-UHFFFAOYSA-N 1 0 246.314 0.722 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000227770714 134394067 /nfs/dbraw/zinc/39/40/67/134394067.db2.gz COXLYURUYGIVTD-IUCAKERBSA-N 1 0 209.293 0.745 20 30 BCEDRO C#CCCCNC(=O)[C@H]1C[N@H+](C(C)C)CCO1 ZINC000367581971 533038671 /nfs/dbraw/zinc/03/86/71/533038671.db2.gz YTGSEQUPSICFHZ-GFCCVEGCSA-N 1 0 238.331 0.625 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000643590708 384182356 /nfs/dbraw/zinc/18/23/56/384182356.db2.gz UGDSHWBUACFMAB-UWVGGRQHSA-N 1 0 212.293 0.527 20 30 BCEDRO C[NH+]1CCC(NC(=O)CCCC#N)CC1 ZINC000408233786 384206314 /nfs/dbraw/zinc/20/63/14/384206314.db2.gz XTTGXPXQFDTDPS-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO Cc1n[nH]c(CC[NH2+][C@H]2CC[C@H](C#N)C2)n1 ZINC000309838683 384186784 /nfs/dbraw/zinc/18/67/84/384186784.db2.gz CAKRVZVSXCBAQF-UWVGGRQHSA-N 1 0 219.292 0.938 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000357313415 384190695 /nfs/dbraw/zinc/19/06/95/384190695.db2.gz XIWYMYJZWYQELX-JFGNBEQYSA-N 1 0 226.320 0.692 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000069626846 384246419 /nfs/dbraw/zinc/24/64/19/384246419.db2.gz HUDMRRVTIVKKFA-QWRGUYRKSA-N 1 0 225.336 0.348 20 30 BCEDRO C#CCC[N@H+]1CCC[C@]2(CNC(=O)O2)C1 ZINC000369037378 533050815 /nfs/dbraw/zinc/05/08/15/533050815.db2.gz WYPDDBIONABUGK-NSHDSACASA-N 1 0 208.261 0.584 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H](C)CCC[NH3+])nn1 ZINC000648144614 384267085 /nfs/dbraw/zinc/26/70/85/384267085.db2.gz ZFWSKZXPGMPRAI-VIFPVBQESA-N 1 0 237.307 0.321 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@H](O)COC ZINC000168710492 384303909 /nfs/dbraw/zinc/30/39/09/384303909.db2.gz USPCZLMEKRHIJN-JTQLQIEISA-N 1 0 203.282 0.176 20 30 BCEDRO C#CCC[NH+]1CCN(c2cc(C)ncn2)CC1 ZINC000301229236 533053942 /nfs/dbraw/zinc/05/39/42/533053942.db2.gz HYBWAWHWKPIFDK-UHFFFAOYSA-N 1 0 230.315 0.930 20 30 BCEDRO C#CCN1CCC([N@@H+](C)C[C@H](C)O)CC1 ZINC000490631289 384282495 /nfs/dbraw/zinc/28/24/95/384282495.db2.gz UNWTVHSNBLRODR-NSHDSACASA-N 1 0 210.321 0.397 20 30 BCEDRO COc1ccc(C[N@H+](C)CCC(N)=O)cc1C#N ZINC000286365407 384284140 /nfs/dbraw/zinc/28/41/40/384284140.db2.gz HRPOYWKYZRTGEM-UHFFFAOYSA-N 1 0 247.298 0.874 20 30 BCEDRO Cn1cc(C[N@H+](C)CCC(N)=O)cc1C#N ZINC000289803246 384284811 /nfs/dbraw/zinc/28/48/11/384284811.db2.gz SMNSNRFRZFAEBE-UHFFFAOYSA-N 1 0 220.276 0.204 20 30 BCEDRO C=CCNC(=O)CN[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000405410250 384295282 /nfs/dbraw/zinc/29/52/82/384295282.db2.gz TXYHGTYMHAAFFY-BDAKNGLRSA-N 1 0 211.309 0.004 20 30 BCEDRO C#CCC[N@H+]1CCc2nn(CC)c(=O)cc2C1 ZINC000371205264 533056314 /nfs/dbraw/zinc/05/63/14/533056314.db2.gz QAIXNNDEEPJZBI-UHFFFAOYSA-N 1 0 231.299 0.645 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368972209 533057130 /nfs/dbraw/zinc/05/71/30/533057130.db2.gz FPTPBMQXAYMCSR-DCAQKATOSA-N 1 0 206.289 0.596 20 30 BCEDRO C#CC[N@H+](CC)CCCS(=O)(=O)N(C)C ZINC000490741563 384374364 /nfs/dbraw/zinc/37/43/64/384374364.db2.gz SRXLAVKYYBNFPT-UHFFFAOYSA-N 1 0 232.349 0.223 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000368510289 533057272 /nfs/dbraw/zinc/05/72/72/533057272.db2.gz DMSRSRGOWOUYIM-OLZOCXBDSA-N 1 0 222.332 0.805 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000159399467 384391854 /nfs/dbraw/zinc/39/18/54/384391854.db2.gz ILKHVYMZIQVDQL-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000334952365 384392635 /nfs/dbraw/zinc/39/26/35/384392635.db2.gz NBLXPZGJWZGNSC-WDEREUQCSA-N 1 0 223.320 0.921 20 30 BCEDRO C[C@H](C#N)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000335607813 384387964 /nfs/dbraw/zinc/38/79/64/384387964.db2.gz HXZGOHKWOBXLHK-BDAKNGLRSA-N 1 0 209.293 0.793 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCCO1 ZINC000490850262 384437362 /nfs/dbraw/zinc/43/73/62/384437362.db2.gz AVPDEKLLZTZHCH-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO CNC(=[NH2+])NCc1cccc(NC(C)=O)c1 ZINC000161504333 384496954 /nfs/dbraw/zinc/49/69/54/384496954.db2.gz GDEGUFPMYQGYOL-UHFFFAOYSA-N 1 0 220.276 0.679 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](C)O[C@H](CO)C1 ZINC000249510002 384503162 /nfs/dbraw/zinc/50/31/62/384503162.db2.gz ZPQZMIWPGGZNMK-SRVKXCTJSA-N 1 0 229.320 0.395 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000249510000 384505172 /nfs/dbraw/zinc/50/51/72/384505172.db2.gz ZPQZMIWPGGZNMK-SDDRHHMPSA-N 1 0 229.320 0.395 20 30 BCEDRO C[C@H](O)C[N@@H+]1CCN(CCCC#N)[C@H](C)C1 ZINC000249520724 384510456 /nfs/dbraw/zinc/51/04/56/384510456.db2.gz VETYFPUCVFWGLS-NEPJUHHUSA-N 1 0 225.336 0.677 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000150879612 384515427 /nfs/dbraw/zinc/51/54/27/384515427.db2.gz UMONGUFFBFQJTA-GHMZBOCLSA-N 1 0 239.319 0.023 20 30 BCEDRO CN(C(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12)C1CC1 ZINC000249767104 384521581 /nfs/dbraw/zinc/52/15/81/384521581.db2.gz IPYCPMBXHRTNMK-AXFHLTTASA-N 1 0 223.320 0.963 20 30 BCEDRO CC#CCN(CC)[C@H]1CCS(=O)(=O)C1 ZINC000172743801 384523300 /nfs/dbraw/zinc/52/33/00/384523300.db2.gz JSOCKGQPWWYQKU-JTQLQIEISA-N 1 0 215.318 0.519 20 30 BCEDRO C=CCn1cc(C(=O)N(C)C2(C[NH3+])CCC2)nn1 ZINC000648147340 384525845 /nfs/dbraw/zinc/52/58/45/384525845.db2.gz MYOYWIBCWLJNKC-UHFFFAOYSA-N 1 0 249.318 0.418 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H](CC)Cn1cncn1 ZINC000309731026 384568654 /nfs/dbraw/zinc/56/86/54/384568654.db2.gz ZYUNVEMPQFAPPM-QWRGUYRKSA-N 1 0 224.308 0.583 20 30 BCEDRO N#Cc1cncc(NCC[N@@H+]2CCCOCC2)n1 ZINC000564892120 384586025 /nfs/dbraw/zinc/58/60/25/384586025.db2.gz QSLGWEJRZSHZOC-UHFFFAOYSA-N 1 0 247.302 0.482 20 30 BCEDRO C#CCN(CC#CC)C[C@@H](O)C[N@@H+](C)CC ZINC000491381912 384609466 /nfs/dbraw/zinc/60/94/66/384609466.db2.gz GVVMQWVOFLUGNG-ZDUSSCGKSA-N 1 0 222.332 0.258 20 30 BCEDRO C[NH+](C)C1CN(c2ccc(C#N)cn2)C1 ZINC000260465806 384619362 /nfs/dbraw/zinc/61/93/62/384619362.db2.gz RLYJZTNIZJJQLU-UHFFFAOYSA-N 1 0 202.261 0.703 20 30 BCEDRO CNC(=O)[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000111268239 384599837 /nfs/dbraw/zinc/59/98/37/384599837.db2.gz UKAAROLVOFRNAC-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO CNC(=O)[C@H]1CCC[N@H+](CCCC#N)C1 ZINC000111268241 384599976 /nfs/dbraw/zinc/59/99/76/384599976.db2.gz UKAAROLVOFRNAC-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO CC[C@H](C)NC(NCC(=O)NC1CC1)=[NH+]C ZINC000263270616 384640916 /nfs/dbraw/zinc/64/09/16/384640916.db2.gz WSPTVNJTIOUSMZ-QMMMGPOBSA-N 1 0 226.324 0.229 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1ccnn1C ZINC000336655818 384654051 /nfs/dbraw/zinc/65/40/51/384654051.db2.gz AEKZZERMIANQND-JTQLQIEISA-N 1 0 209.293 0.694 20 30 BCEDRO C#CCN1CCN(C(=O)c2cnn(C)c2)[C@@H](C)C1 ZINC000491394768 384684428 /nfs/dbraw/zinc/68/44/28/384684428.db2.gz OBLZHFMXDARNAO-NSHDSACASA-N 1 0 246.314 0.200 20 30 BCEDRO CC#CCC[N@H+](C)CC(=O)N1CCOCC1 ZINC000155072040 384691491 /nfs/dbraw/zinc/69/14/91/384691491.db2.gz HEAUCKNWSXQOKW-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](CO)[C@@H]1C ZINC000491788567 384716344 /nfs/dbraw/zinc/71/63/44/384716344.db2.gz XWJSXYGBKBUZNY-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO C#C[C@H]1COCCN1C[C@H](O)CCOC(C)C ZINC000491805736 384774472 /nfs/dbraw/zinc/77/44/72/384774472.db2.gz PDUCUWQYSCOVQU-QWHCGFSZSA-N 1 0 241.331 0.496 20 30 BCEDRO C[C@@H](CNc1nccnc1C#N)[NH+](C)C ZINC000054377642 384735137 /nfs/dbraw/zinc/73/51/37/384735137.db2.gz SZWNYLPLTUDIHR-QMMMGPOBSA-N 1 0 205.265 0.710 20 30 BCEDRO C=C[C@@H](CO)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000309696400 384739404 /nfs/dbraw/zinc/73/94/04/384739404.db2.gz RLLDZRSJGQUYTO-UNXYVOJBSA-N 1 0 226.320 0.570 20 30 BCEDRO CN1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)CCC1=O ZINC000309960837 384740009 /nfs/dbraw/zinc/74/00/09/384740009.db2.gz LAWNDFIWVDTRFR-GMTAPVOTSA-N 1 0 221.304 0.889 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1C=CCCC1 ZINC000518168928 384758085 /nfs/dbraw/zinc/75/80/85/384758085.db2.gz LRTLTQFOYMPBNS-STQMWFEESA-N 1 0 237.347 0.891 20 30 BCEDRO C[NH+](C)CC(=O)N(CCC#N)CC1CC1 ZINC000151818171 384818002 /nfs/dbraw/zinc/81/80/02/384818002.db2.gz AKEFVALKCJBMEW-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO N#CC1(CN2CCC[C@]23CCNC3=O)CC1 ZINC000518212836 384801423 /nfs/dbraw/zinc/80/14/23/384801423.db2.gz QMCAGPUOQKVQRM-GFCCVEGCSA-N 1 0 219.288 0.645 20 30 BCEDRO CN(C)C(=[NH+]CCCn1ccnc1)N(C)C ZINC000104152606 384804950 /nfs/dbraw/zinc/80/49/50/384804950.db2.gz HMXKUXCABYEWMC-UHFFFAOYSA-N 1 0 223.324 0.752 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H](C)C[C@H](C)[NH3+])nn1 ZINC000648191083 384805782 /nfs/dbraw/zinc/80/57/82/384805782.db2.gz UHCNJIDQRZKPIS-IUCAKERBSA-N 1 0 237.307 0.320 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H](C)C[C@H](C)[NH3+])nn1 ZINC000648191082 384806431 /nfs/dbraw/zinc/80/64/31/384806431.db2.gz UHCNJIDQRZKPIS-DTWKUNHWSA-N 1 0 237.307 0.320 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000297402999 384808115 /nfs/dbraw/zinc/80/81/15/384808115.db2.gz XRYCECGSWZIBMB-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO CCn1cnnc1CNC(=[NH2+])NCCC(C)C ZINC000104172749 384808318 /nfs/dbraw/zinc/80/83/18/384808318.db2.gz KCJSIYRGYATHOH-UHFFFAOYSA-N 1 0 238.339 0.748 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(CCO)CC1 ZINC000400972699 384813960 /nfs/dbraw/zinc/81/39/60/384813960.db2.gz NPFOTMHNODPXMF-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO Cc1cc(C#N)ccc1S(=O)(=O)NCC[NH3+] ZINC000178885924 384870971 /nfs/dbraw/zinc/87/09/71/384870971.db2.gz YRGMZOYATOWVCO-UHFFFAOYSA-N 1 0 239.300 0.104 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000339753757 384885218 /nfs/dbraw/zinc/88/52/18/384885218.db2.gz VAYQSZZMENVWSI-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO CN(C[C@H](O)C[NH2+]CCCCC#N)C1CC1 ZINC000564843184 384956295 /nfs/dbraw/zinc/95/62/95/384956295.db2.gz BBNCNPFNHMPPOU-GFCCVEGCSA-N 1 0 225.336 0.725 20 30 BCEDRO CN(C[C@@H](O)C[NH2+]CCCCC#N)C1CC1 ZINC000564843187 384956438 /nfs/dbraw/zinc/95/64/38/384956438.db2.gz BBNCNPFNHMPPOU-LBPRGKRZSA-N 1 0 225.336 0.725 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cncnc1OC ZINC000647201130 384892959 /nfs/dbraw/zinc/89/29/59/384892959.db2.gz BDMUERHDBDLORT-JTQLQIEISA-N 1 0 223.276 0.512 20 30 BCEDRO CN(CCC#N)CCC(=O)N1CCOCC1 ZINC000177187979 384898448 /nfs/dbraw/zinc/89/84/48/384898448.db2.gz AQTBNQQCEGTTCM-UHFFFAOYSA-N 1 0 225.292 0.081 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000191720291 384907196 /nfs/dbraw/zinc/90/71/96/384907196.db2.gz ZDLHZMOITDQYHR-IVZWLZJFSA-N 1 0 212.293 0.137 20 30 BCEDRO CC(C)[N@H+](CC(=O)NCC#N)C1CCOCC1 ZINC000119623594 384908193 /nfs/dbraw/zinc/90/81/93/384908193.db2.gz CMGNMQDDZVAPGR-UHFFFAOYSA-N 1 0 239.319 0.516 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CC(C)(C)C#N ZINC000293861301 533098326 /nfs/dbraw/zinc/09/83/26/533098326.db2.gz BDLHJBHIFKDGNO-UHFFFAOYSA-N 1 0 235.331 0.998 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000245384001 384965145 /nfs/dbraw/zinc/96/51/45/384965145.db2.gz SVIQARWVTKJAOQ-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N1CCCC1 ZINC000296660911 533100310 /nfs/dbraw/zinc/10/03/10/533100310.db2.gz UXFAHHMJSWDSEI-UHFFFAOYSA-N 1 0 223.320 0.747 20 30 BCEDRO CN(CCCO)CC(=O)Nc1ccc(C#N)cc1 ZINC000302437650 384976807 /nfs/dbraw/zinc/97/68/07/384976807.db2.gz NDFNNGVGWPTJHH-UHFFFAOYSA-N 1 0 247.298 0.811 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC000245501455 385014275 /nfs/dbraw/zinc/01/42/75/385014275.db2.gz ATQASYILKRPARR-NWDGAFQWSA-N 1 0 240.347 0.866 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000381487734 385083705 /nfs/dbraw/zinc/08/37/05/385083705.db2.gz KEMFFJLIJBHYLD-VWYCJHECSA-N 1 0 221.304 0.937 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)CCO ZINC000297442788 533103092 /nfs/dbraw/zinc/10/30/92/533103092.db2.gz ZYVHMEKACXKIEG-NSHDSACASA-N 1 0 241.335 0.012 20 30 BCEDRO C[C@@H](O)CN(CCO)Cc1ccccc1C#N ZINC000289372391 385074118 /nfs/dbraw/zinc/07/41/18/385074118.db2.gz BLFPMXSTXVRCAZ-LLVKDONJSA-N 1 0 234.299 0.733 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCC1([NH3+])CCC1 ZINC000491495492 385023883 /nfs/dbraw/zinc/02/38/83/385023883.db2.gz JEXOTYXOPGDEEJ-VIFPVBQESA-N 1 0 209.293 0.531 20 30 BCEDRO Cc1cnc(C(=O)N[C@@](C)(C#N)CN(C)C)cn1 ZINC000557590362 385027776 /nfs/dbraw/zinc/02/77/76/385027776.db2.gz KRVGCXQLIWLZQF-LBPRGKRZSA-N 1 0 247.302 0.359 20 30 BCEDRO N#Cc1cnc(NCC[N@@H+]2CCCOCC2)cn1 ZINC000188492757 385037393 /nfs/dbraw/zinc/03/73/93/385037393.db2.gz JSAMSHYVVBQAAY-UHFFFAOYSA-N 1 0 247.302 0.482 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)COCC ZINC000644638614 385039681 /nfs/dbraw/zinc/03/96/81/385039681.db2.gz ZUAWOJLAGWECQU-UPJWGTAASA-N 1 0 243.347 0.955 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H](OC)C1CC1 ZINC000388266871 385041294 /nfs/dbraw/zinc/04/12/94/385041294.db2.gz FRJAMIBPCZVLKL-NHCYSSNCSA-N 1 0 238.331 0.527 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@@H]2CCC(=O)N2)C1 ZINC000381487726 385083417 /nfs/dbraw/zinc/08/34/17/385083417.db2.gz KEMFFJLIJBHYLD-MXWKQRLJSA-N 1 0 221.304 0.937 20 30 BCEDRO C#CCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000491535290 385114183 /nfs/dbraw/zinc/11/41/83/385114183.db2.gz BIKPZNOAMTUCNH-JTQLQIEISA-N 1 0 209.293 0.309 20 30 BCEDRO C#CCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000491535291 385114189 /nfs/dbraw/zinc/11/41/89/385114189.db2.gz BIKPZNOAMTUCNH-SNVBAGLBSA-N 1 0 209.293 0.309 20 30 BCEDRO N#Cc1cnccc1N1CCC[N@@H+](CCO)CC1 ZINC000364910177 385130715 /nfs/dbraw/zinc/13/07/15/385130715.db2.gz UMHNPVRWQXMHMH-UHFFFAOYSA-N 1 0 246.314 0.458 20 30 BCEDRO N#Cc1csc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)c1 ZINC000599004969 385086917 /nfs/dbraw/zinc/08/69/17/385086917.db2.gz WXGVTMBDFLJNQL-KYZUINATSA-N 1 0 235.312 0.973 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000599003909 385087217 /nfs/dbraw/zinc/08/72/17/385087217.db2.gz MELDQOREHWAHPS-JTQLQIEISA-N 1 0 235.287 0.571 20 30 BCEDRO C[C@H](C#N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000530820508 385100637 /nfs/dbraw/zinc/10/06/37/385100637.db2.gz WVRFQXDNXMFHEP-VHSXEESVSA-N 1 0 209.293 0.604 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000313025850 385197092 /nfs/dbraw/zinc/19/70/92/385197092.db2.gz RANZRDGBIMBNBM-NXEZZACHSA-N 1 0 224.304 0.139 20 30 BCEDRO Cn1cc(C[NH2+][C@H]2CCCCNC2=O)cc1C#N ZINC000189583076 385200783 /nfs/dbraw/zinc/20/07/83/385200783.db2.gz PTFGKKQVLLMLGR-LBPRGKRZSA-N 1 0 246.314 0.655 20 30 BCEDRO C[C@@H](C[S@@](C)=O)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189598014 385219187 /nfs/dbraw/zinc/21/91/87/385219187.db2.gz VDDKFCQSCVKBAR-XXFAHNHDSA-N 1 0 239.344 0.753 20 30 BCEDRO C[C@H](CNC(=O)C(C)(C)C#N)C[NH+](C)C ZINC000308881565 385234497 /nfs/dbraw/zinc/23/44/97/385234497.db2.gz FDJWJLOPHSMAKW-SECBINFHSA-N 1 0 211.309 0.850 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000279949611 385236415 /nfs/dbraw/zinc/23/64/15/385236415.db2.gz OLDNAVBJFZHPCO-WDEREUQCSA-N 1 0 224.304 0.141 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000338478767 385249258 /nfs/dbraw/zinc/24/92/58/385249258.db2.gz WESAUQUZEYXUTJ-ZDUSSCGKSA-N 1 0 234.299 0.964 20 30 BCEDRO C=CCOCCCC(=O)NCC[C@H](C)[NH3+] ZINC000178657664 385314308 /nfs/dbraw/zinc/31/43/08/385314308.db2.gz RIGOOHGGKCHUSB-JTQLQIEISA-N 1 0 214.309 0.823 20 30 BCEDRO COCC#CCN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000644730655 385259156 /nfs/dbraw/zinc/25/91/56/385259156.db2.gz CBUVULPQUSHABJ-VXGBXAGGSA-N 1 0 208.305 0.272 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000158236340 385265786 /nfs/dbraw/zinc/26/57/86/385265786.db2.gz CIMZSYKFLQHXSN-JGVFFNPUSA-N 1 0 202.685 0.983 20 30 BCEDRO C=CCn1cc(-c2nc(C3([NH3+])CCC3)no2)nn1 ZINC000647141885 385289383 /nfs/dbraw/zinc/28/93/83/385289383.db2.gz YMHACUVPDCGJEX-UHFFFAOYSA-N 1 0 246.274 0.852 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@@H+]([C@@H]2CC[C@@H](C#N)C2)C1 ZINC000407993560 385329327 /nfs/dbraw/zinc/32/93/27/385329327.db2.gz QEAVGMUESQSPPP-GMTAPVOTSA-N 1 0 236.319 0.682 20 30 BCEDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@H](C#N)C2)C[C@H]1C(N)=O ZINC000407995939 385338520 /nfs/dbraw/zinc/33/85/20/385338520.db2.gz JPNBXZZWQRULSQ-VPOLOUISSA-N 1 0 221.304 0.732 20 30 BCEDRO C[N@@H+]([C@@H]1COC[C@H]1O)[C@H]1CC[C@@H](C#N)C1 ZINC000407997852 385344875 /nfs/dbraw/zinc/34/48/75/385344875.db2.gz OPSPYUXHEXPDJA-LMLFDSFASA-N 1 0 210.277 0.370 20 30 BCEDRO COCCN1CC[C@@H]([NH2+]CCCC#N)C1 ZINC000309045167 385389610 /nfs/dbraw/zinc/38/96/10/385389610.db2.gz NZWUBBQBWQKZDF-LLVKDONJSA-N 1 0 211.309 0.600 20 30 BCEDRO CS(=O)(=O)CCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309080996 385400631 /nfs/dbraw/zinc/40/06/31/385400631.db2.gz PNLNAUUGUCNXID-ZJUUUORDSA-N 1 0 230.333 0.703 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccc(OC)nc1 ZINC000309086628 385410963 /nfs/dbraw/zinc/41/09/63/385410963.db2.gz YJYJPYMLXJHXQU-SNVBAGLBSA-N 1 0 208.261 0.727 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000448744483 385449395 /nfs/dbraw/zinc/44/93/95/385449395.db2.gz BQWPNZCFIIVDPC-SUZMYJTESA-N 1 0 235.331 0.993 20 30 BCEDRO CNC(=O)CNC(=[NH2+])Nc1ccc(C)c(C)c1 ZINC000170907032 385454485 /nfs/dbraw/zinc/45/44/85/385454485.db2.gz FEUDJMAFIOEFEZ-UHFFFAOYSA-N 1 0 234.303 0.776 20 30 BCEDRO COc1ccccc1CNC(=[NH2+])NCCO ZINC000170905005 385455251 /nfs/dbraw/zinc/45/52/51/385455251.db2.gz ADHXTRZGEXETGA-UHFFFAOYSA-N 1 0 223.276 0.092 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=[NH2+])Nc1ccccn1 ZINC000170909551 385455274 /nfs/dbraw/zinc/45/52/74/385455274.db2.gz VVXVKRZDWAGANN-JTQLQIEISA-N 1 0 233.319 0.902 20 30 BCEDRO CCNC(=O)c1ccc(CNC(=[NH2+])N(C)C)cc1 ZINC000170911436 385455813 /nfs/dbraw/zinc/45/58/13/385455813.db2.gz OICYLAYWWZOZAY-UHFFFAOYSA-N 1 0 248.330 0.813 20 30 BCEDRO Cc1cc(C[NH+]=C(N(C)C)N(C)C)on1 ZINC000170911884 385456374 /nfs/dbraw/zinc/45/63/74/385456374.db2.gz UVODRGAHTMDTJP-UHFFFAOYSA-N 1 0 210.281 0.962 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CC)[C@H]1CCCO1 ZINC000182270216 385436279 /nfs/dbraw/zinc/43/62/79/385436279.db2.gz STWJQWUCRYTUOB-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCOCC(=O)Nc1cnc2c(c1)C[NH2+]CC2 ZINC000644103160 385472886 /nfs/dbraw/zinc/47/28/86/385472886.db2.gz HOFABKNYECLILC-UHFFFAOYSA-N 1 0 247.298 0.868 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000644104237 385477657 /nfs/dbraw/zinc/47/76/57/385477657.db2.gz FDGLBGIDWONFBY-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]([C@@H](C)[NH3+])C1 ZINC000644104238 385478225 /nfs/dbraw/zinc/47/82/25/385478225.db2.gz FDGLBGIDWONFBY-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCCOCC(=O)NC[C@H](C)C[NH+](C)C ZINC000644810865 385507308 /nfs/dbraw/zinc/50/73/08/385507308.db2.gz OJTRBOBNNXNFBH-NSHDSACASA-N 1 0 228.336 0.893 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000644130880 385509577 /nfs/dbraw/zinc/50/95/77/385509577.db2.gz XGRYOXWCKUEQSF-LBPRGKRZSA-N 1 0 226.320 0.776 20 30 BCEDRO C[N@H+](Cc1cccc(C#N)c1)[C@@H]1COC[C@@H]1O ZINC000302354219 385516780 /nfs/dbraw/zinc/51/67/80/385516780.db2.gz JCFYMMLQDBGEAW-OLZOCXBDSA-N 1 0 232.283 0.750 20 30 BCEDRO C[C@H](CNC(=O)c1ccc(C#N)nc1)C[NH+](C)C ZINC000341301634 385489534 /nfs/dbraw/zinc/48/95/34/385489534.db2.gz YKQVGHYOQYZDMI-SNVBAGLBSA-N 1 0 246.314 0.881 20 30 BCEDRO Cc1cnn(CCNC(=[NH2+])NC2CC2)c1 ZINC000172315775 385530128 /nfs/dbraw/zinc/53/01/28/385530128.db2.gz NBKFPSUNBVRMKR-UHFFFAOYSA-N 1 0 207.281 0.258 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000644146457 385537650 /nfs/dbraw/zinc/53/76/50/385537650.db2.gz OBDKNBBJTPICJL-LLVKDONJSA-N 1 0 238.331 0.837 20 30 BCEDRO CC(C)(CC#N)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000591770232 385562818 /nfs/dbraw/zinc/56/28/18/385562818.db2.gz NQSSUPURYSPWCS-LLVKDONJSA-N 1 0 236.319 0.773 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]C1)C(C)C ZINC000491708661 385605511 /nfs/dbraw/zinc/60/55/11/385605511.db2.gz NPMVBPMYCJDNSA-NEPJUHHUSA-N 1 0 237.347 0.943 20 30 BCEDRO C[C@H](O)CC[NH2+]Cc1nc(C#N)cs1 ZINC000308626818 385586432 /nfs/dbraw/zinc/58/64/32/385586432.db2.gz WYCHZHNJCAKBMR-ZETCQYMHSA-N 1 0 211.290 0.875 20 30 BCEDRO CC[NH+]1CCC(NC(=O)CSCC#N)CC1 ZINC000042752470 385627551 /nfs/dbraw/zinc/62/75/51/385627551.db2.gz NPJYPZMTUKPNNU-UHFFFAOYSA-N 1 0 241.360 0.844 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCS(=O)(=O)C2)C1 ZINC000336681149 385637838 /nfs/dbraw/zinc/63/78/38/385637838.db2.gz ONTLOHBUUGPYFO-MXWKQRLJSA-N 1 0 242.344 0.845 20 30 BCEDRO C[NH+]1CCC(NC(=O)NCCCC#N)CC1 ZINC000408184235 385638190 /nfs/dbraw/zinc/63/81/90/385638190.db2.gz XDNZOFWVVNURGB-UHFFFAOYSA-N 1 0 224.308 0.684 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644822389 385644045 /nfs/dbraw/zinc/64/40/45/385644045.db2.gz SFSYMLTTYIELAP-VXGBXAGGSA-N 1 0 238.331 0.742 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CC[C@H](C#N)C1)C(=O)NCCF ZINC000309523956 385656460 /nfs/dbraw/zinc/65/64/60/385656460.db2.gz CJQJHVZTJYAKIX-LPEHRKFASA-N 1 0 227.283 0.742 20 30 BCEDRO CC[C@@H](C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000055079709 385692036 /nfs/dbraw/zinc/69/20/36/385692036.db2.gz ZNWMWVNKQDWBBQ-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO C#CCNC(=[NH+]CC)N(C)C[C@@H]1CCOC1 ZINC000261649449 533140857 /nfs/dbraw/zinc/14/08/57/533140857.db2.gz MIUPIPQCIGMSNF-NSHDSACASA-N 1 0 223.320 0.553 20 30 BCEDRO C#CCNC(NCC1(CCO)CCCC1)=[NH+]C ZINC000262485776 533141122 /nfs/dbraw/zinc/14/11/22/533141122.db2.gz SNFBVACTDCOPQA-UHFFFAOYSA-N 1 0 237.347 0.727 20 30 BCEDRO C#CCNC(=[NH+]CC)N(C)C[C@H]1CCOC1 ZINC000261649446 533141577 /nfs/dbraw/zinc/14/15/77/533141577.db2.gz MIUPIPQCIGMSNF-LLVKDONJSA-N 1 0 223.320 0.553 20 30 BCEDRO C#CCNC(NCC1(O)CCCCC1)=[NH+]C ZINC000262758563 533141639 /nfs/dbraw/zinc/14/16/39/533141639.db2.gz CKTNXMDWDQQSJG-UHFFFAOYSA-N 1 0 223.320 0.480 20 30 BCEDRO C#CCNC(N[C@H]1CCN(C2CC2)C1)=[NH+]CC ZINC000262751866 533142094 /nfs/dbraw/zinc/14/20/94/533142094.db2.gz GTFXTLJRZVFUBW-NSHDSACASA-N 1 0 234.347 0.411 20 30 BCEDRO CC[NH+](CC)CC(=O)N[C@H](C#N)C(C)C ZINC000337613694 385728672 /nfs/dbraw/zinc/72/86/72/385728672.db2.gz YNVHNLORUYQRTB-SNVBAGLBSA-N 1 0 211.309 0.993 20 30 BCEDRO CNC(=O)CC[N@H+](C)[C@@H]1CC[C@@H](C#N)C1 ZINC000408380517 385786010 /nfs/dbraw/zinc/78/60/10/385786010.db2.gz AEZGGFMIPFBHPK-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(NC[C@@H]1CCCO1)=[NH+]CC ZINC000262508960 533143016 /nfs/dbraw/zinc/14/30/16/533143016.db2.gz ASURUZWGOAYWNW-JTQLQIEISA-N 1 0 209.293 0.354 20 30 BCEDRO C#CCNC(NCCc1nccs1)=[NH+]CC ZINC000262645783 533143022 /nfs/dbraw/zinc/14/30/22/533143022.db2.gz RNYAPUNPGYMIBK-UHFFFAOYSA-N 1 0 236.344 0.874 20 30 BCEDRO C#CCNC(NCCn1cccc1)=[NH+]C ZINC000153181832 533143056 /nfs/dbraw/zinc/14/30/56/533143056.db2.gz YEALLANHBDJLAT-UHFFFAOYSA-N 1 0 204.277 0.286 20 30 BCEDRO C#CCNC(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)=[NH+]CC ZINC000262460341 533143306 /nfs/dbraw/zinc/14/33/06/533143306.db2.gz XLYWFKLRCNMBTL-QJPTWQEYSA-N 1 0 249.358 0.988 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602686806 385813871 /nfs/dbraw/zinc/81/38/71/385813871.db2.gz FCLZKNOJPQWGRN-GARJFASQSA-N 1 0 212.293 0.930 20 30 BCEDRO C[NH2+]CCNC(=O)[C@H](C)Oc1ccccc1C#N ZINC000572373808 385820292 /nfs/dbraw/zinc/82/02/92/385820292.db2.gz TZMJYEFRFPPYBJ-JTQLQIEISA-N 1 0 247.298 0.661 20 30 BCEDRO C=CCNC(=O)CN(C)CC1([NH+](C)C)CCC1 ZINC000186997947 385824510 /nfs/dbraw/zinc/82/45/10/385824510.db2.gz NXCYTQUXCHAGAQ-UHFFFAOYSA-N 1 0 239.363 0.705 20 30 BCEDRO C#CCN1CCC([N@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000366627451 533151339 /nfs/dbraw/zinc/15/13/39/533151339.db2.gz KIVNSJVHNHULMH-LBPRGKRZSA-N 1 0 235.331 0.034 20 30 BCEDRO C[NH+](C)CCNC(=O)CNc1ccc(C#N)cc1 ZINC000120393964 385929529 /nfs/dbraw/zinc/92/95/29/385929529.db2.gz RETITJSXSGJSQN-UHFFFAOYSA-N 1 0 246.314 0.648 20 30 BCEDRO C#CC[NH+]1CCC(Cn2cncn2)CC1 ZINC000375308890 533150042 /nfs/dbraw/zinc/15/00/42/533150042.db2.gz IOTPQXNUDWKLPZ-UHFFFAOYSA-N 1 0 204.277 0.623 20 30 BCEDRO C[C@@H]1CN(c2nccc(C#N)n2)C[C@H](C)[N@H+]1C ZINC000231906414 385876558 /nfs/dbraw/zinc/87/65/58/385876558.db2.gz MOSBXWKTEBWMSS-AOOOYVTPSA-N 1 0 231.303 0.877 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@H](C[NH2+]C)C2)C1=O ZINC000647836851 385882167 /nfs/dbraw/zinc/88/21/67/385882167.db2.gz DNKIDXZPRRHPTM-NEPJUHHUSA-N 1 0 237.347 0.315 20 30 BCEDRO C#CC[NH+]1CCC2(CC1)[C@H](O)C[C@H]2OCC ZINC000304395106 533153109 /nfs/dbraw/zinc/15/31/09/533153109.db2.gz VINVJXVWUIQVPM-VXGBXAGGSA-N 1 0 223.316 0.872 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(C(=O)CC#N)CC1 ZINC000430421337 385931283 /nfs/dbraw/zinc/93/12/83/385931283.db2.gz CESPRDZVBZACBO-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)[NH+](C)C ZINC000267107351 386027731 /nfs/dbraw/zinc/02/77/31/386027731.db2.gz QLWSFZYSMBONIZ-QMMMGPOBSA-N 1 0 220.276 0.566 20 30 BCEDRO C[C@@H](CNC(=O)c1cc(C#N)ccn1)[NH+](C)C ZINC000287391649 386117011 /nfs/dbraw/zinc/11/70/11/386117011.db2.gz SGBXUVUQBYPZSD-VIFPVBQESA-N 1 0 232.287 0.633 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000456762555 386092091 /nfs/dbraw/zinc/09/20/91/386092091.db2.gz GAGHUIULDWTDEC-IJLUTSLNSA-N 1 0 240.347 0.627 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]C[C@@H](C#N)CCC#N ZINC000345871268 386138378 /nfs/dbraw/zinc/13/83/78/386138378.db2.gz BFCXAKLNVSDPGI-IJLUTSLNSA-N 1 0 248.330 0.934 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](CNc2ccnc(C#N)n2)C1 ZINC000571700453 386206544 /nfs/dbraw/zinc/20/65/44/386206544.db2.gz JDKCIBYOMSEMII-NSHDSACASA-N 1 0 245.330 0.914 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000347098048 386248049 /nfs/dbraw/zinc/24/80/49/386248049.db2.gz KXEUHJLNTOGECH-MNOVXSKESA-N 1 0 239.319 0.061 20 30 BCEDRO C[C@@H](O)C[N@H+](CCC(C)(C)C#N)[C@H](C)CO ZINC000347209610 386285597 /nfs/dbraw/zinc/28/55/97/386285597.db2.gz UFZUEQPFVBBQEL-GHMZBOCLSA-N 1 0 228.336 0.990 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(C#N)CCC1 ZINC000416350980 386287658 /nfs/dbraw/zinc/28/76/58/386287658.db2.gz LCYDVQJONWHVMN-GHMZBOCLSA-N 1 0 235.331 0.994 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC1([NH+](C)C)CC1 ZINC000416305302 386266669 /nfs/dbraw/zinc/26/66/69/386266669.db2.gz AVJPXZCCXQFYIT-LLVKDONJSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000647888703 386350938 /nfs/dbraw/zinc/35/09/38/386350938.db2.gz MNCOZKHKWKHOPX-QWRGUYRKSA-N 1 0 246.376 0.917 20 30 BCEDRO CN(CCC#N)C(=O)CC[NH+]1CCC(C#N)CC1 ZINC000181553090 386361547 /nfs/dbraw/zinc/36/15/47/386361547.db2.gz DITAQTFUZVVTHV-UHFFFAOYSA-N 1 0 248.330 0.984 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000367338916 533168057 /nfs/dbraw/zinc/16/80/57/533168057.db2.gz GSWYJBFOZXFMAU-NWDGAFQWSA-N 1 0 235.331 0.888 20 30 BCEDRO C=CCOCCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000347326082 386326005 /nfs/dbraw/zinc/32/60/05/386326005.db2.gz GSUBCQLPBFRALQ-RYUDHWBXSA-N 1 0 229.320 0.397 20 30 BCEDRO C=CCOCCC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347326086 386326224 /nfs/dbraw/zinc/32/62/24/386326224.db2.gz GSUBCQLPBFRALQ-VXGBXAGGSA-N 1 0 229.320 0.397 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1cnn(C)c1C ZINC000181161985 386337136 /nfs/dbraw/zinc/33/71/36/386337136.db2.gz PDVNCHCPVOMZBM-VIFPVBQESA-N 1 0 236.319 0.681 20 30 BCEDRO C=CCCC[N@@H+](C)Cc1nc(=O)n(C)[nH]1 ZINC000347484725 386437767 /nfs/dbraw/zinc/43/77/67/386437767.db2.gz QICPIHVTEGQQFU-UHFFFAOYSA-N 1 0 210.281 0.506 20 30 BCEDRO C=CCOCC(=O)N(C)Cc1ncc[nH]1 ZINC000347530581 386441636 /nfs/dbraw/zinc/44/16/36/386441636.db2.gz YRRKBTVBFGVTIK-UHFFFAOYSA-N 1 0 209.249 0.571 20 30 BCEDRO C=CCOCC[N@H+](C)CCNC(C)=O ZINC000519546422 386483145 /nfs/dbraw/zinc/48/31/45/386483145.db2.gz OGLVOWSALCONGI-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO C=CCSCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000417347689 386488450 /nfs/dbraw/zinc/48/84/50/386488450.db2.gz WMDYPACVTXAJTE-SNVBAGLBSA-N 1 0 243.376 0.957 20 30 BCEDRO C=CCSCCNC(=O)N1CC[NH2+]CC1 ZINC000417348021 386488690 /nfs/dbraw/zinc/48/86/90/386488690.db2.gz XEZFRYRXMRVVBQ-UHFFFAOYSA-N 1 0 229.349 0.520 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C ZINC000192125951 386493683 /nfs/dbraw/zinc/49/36/83/386493683.db2.gz SVOIOKDIWMFAMC-VHSXEESVSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCSCCNC(=O)N(C)CC[NH3+] ZINC000417325354 386498202 /nfs/dbraw/zinc/49/82/02/386498202.db2.gz DMBXSTTWUGHHBD-UHFFFAOYSA-N 1 0 217.338 0.506 20 30 BCEDRO C=C(CC)CN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000335447840 386514190 /nfs/dbraw/zinc/51/41/90/386514190.db2.gz RLXVAALWHPOAPG-UHFFFAOYSA-N 1 0 237.303 0.627 20 30 BCEDRO N#CCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000408370604 386460549 /nfs/dbraw/zinc/46/05/49/386460549.db2.gz NCSIYFHHOLGLKQ-JTQLQIEISA-N 1 0 207.277 0.643 20 30 BCEDRO N#CCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 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ZINC000644938560 386625394 /nfs/dbraw/zinc/62/53/94/386625394.db2.gz QPKPLBYTATWYKS-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C=C(C)CNC(=O)CN1CC[NH+](CC)CC1 ZINC000428111875 386639294 /nfs/dbraw/zinc/63/92/94/386639294.db2.gz TVGWIXMUGYYXFV-UHFFFAOYSA-N 1 0 225.336 0.316 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000295466690 533181202 /nfs/dbraw/zinc/18/12/02/533181202.db2.gz YQKBKNMVTOXOFT-MNOVXSKESA-N 1 0 226.320 0.339 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[NH+](CC)CC ZINC000294222564 533181316 /nfs/dbraw/zinc/18/13/16/533181316.db2.gz KVBQFUQXIXEPIT-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1CCO ZINC000049801286 386656933 /nfs/dbraw/zinc/65/69/33/386656933.db2.gz AGALGORLCOFZTQ-LLVKDONJSA-N 1 0 226.320 0.526 20 30 BCEDRO C=CCNC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000457409293 386709041 /nfs/dbraw/zinc/70/90/41/386709041.db2.gz NOVQZLMTFMXEKK-NSHDSACASA-N 1 0 241.335 0.318 20 30 BCEDRO C=CCOCC[N@@H+](CC(N)=O)C1CCCC1 ZINC000645082810 386709082 /nfs/dbraw/zinc/70/90/82/386709082.db2.gz JHEAAHAFGZPECC-UHFFFAOYSA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000330421334 386710026 /nfs/dbraw/zinc/71/00/26/386710026.db2.gz XZGPCURJUZKQJV-QJPTWQEYSA-N 1 0 238.331 0.524 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NC(=O)NCCCO)C1 ZINC000330485207 386733100 /nfs/dbraw/zinc/73/31/00/386733100.db2.gz ZYLLHEYYOUPSRO-JTQLQIEISA-N 1 0 229.324 0.357 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](NC(=O)NCCCO)C1 ZINC000330485208 386733753 /nfs/dbraw/zinc/73/37/53/386733753.db2.gz ZYLLHEYYOUPSRO-SNVBAGLBSA-N 1 0 229.324 0.357 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@@H](C)CO)C1 ZINC000330481800 386734534 /nfs/dbraw/zinc/73/45/34/386734534.db2.gz QJVKKTWWESTECZ-MNOVXSKESA-N 1 0 243.351 0.603 20 30 BCEDRO CCC(=O)N1CC[C@@H](NC(NC2CC2)=[NH+]C)C1 ZINC000161236054 386737991 /nfs/dbraw/zinc/73/79/91/386737991.db2.gz QNADZIGIRWRYQW-SNVBAGLBSA-N 1 0 238.335 0.325 20 30 BCEDRO CN(CC[N@H+](C)C1CC1)c1cnc(C#N)cn1 ZINC000274738795 386715422 /nfs/dbraw/zinc/71/54/22/386715422.db2.gz NCJOHDLZJNHDFU-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@@H](C(=O)NCC#CCO)[NH+]1[C@H](C)CC[C@H]1C ZINC000330457709 386719348 /nfs/dbraw/zinc/71/93/48/386719348.db2.gz OXXYPKQQVAGPIG-UTUOFQBUSA-N 1 0 238.331 0.360 20 30 BCEDRO C=CCOCCN1CC[NH+](C(C)(C)CO)CC1 ZINC000645094998 386719893 /nfs/dbraw/zinc/71/98/93/386719893.db2.gz BVTPGCCFUQSYAK-UHFFFAOYSA-N 1 0 242.363 0.578 20 30 BCEDRO C[C@H](CO)CNC(=O)NCc1nccn1C ZINC000330516909 386748081 /nfs/dbraw/zinc/74/80/81/386748081.db2.gz FYYHJNOMOXUMRD-QMMMGPOBSA-N 1 0 226.280 0.052 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CCC[C@@H]1CF ZINC000292923431 386752475 /nfs/dbraw/zinc/75/24/75/386752475.db2.gz BXODZXVCURDDJN-NXEZZACHSA-N 1 0 212.268 0.558 20 30 BCEDRO C=CCOCC(=O)N(CCC)CC[NH+](C)C ZINC000344837608 386759662 /nfs/dbraw/zinc/75/96/62/386759662.db2.gz XHLQFAOKHQWTKB-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000125208455 386763073 /nfs/dbraw/zinc/76/30/73/386763073.db2.gz VJYOFJLKZMCQEO-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO CC[NH+]1CCC(NC(=O)NCCOC)CC1 ZINC000330450259 386742435 /nfs/dbraw/zinc/74/24/35/386742435.db2.gz JMTUSPBJUKKGCZ-UHFFFAOYSA-N 1 0 229.324 0.621 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCOC[C@H]1C ZINC000192125946 386744335 /nfs/dbraw/zinc/74/43/35/386744335.db2.gz SVOIOKDIWMFAMC-NXEZZACHSA-N 1 0 212.293 0.303 20 30 BCEDRO C=C(C)CS(=O)(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000334636613 386772794 /nfs/dbraw/zinc/77/27/94/386772794.db2.gz ZMDSDHZQUVTYGQ-MNOVXSKESA-N 1 0 244.360 0.528 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)NCCCC#N ZINC000418002171 386821998 /nfs/dbraw/zinc/82/19/98/386821998.db2.gz LWWKBCUJTKHJPL-NXEZZACHSA-N 1 0 224.308 0.587 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000330598521 386806207 /nfs/dbraw/zinc/80/62/07/386806207.db2.gz DLFIPDUSEMFHIB-HBNTYKKESA-N 1 0 215.293 0.005 20 30 BCEDRO CO[C@@H]1C[N@H+](CCC(C)(C)C#N)C[C@H]1O ZINC000395285025 386808586 /nfs/dbraw/zinc/80/85/86/386808586.db2.gz BQUNHKGGCBMCFR-NXEZZACHSA-N 1 0 212.293 0.618 20 30 BCEDRO CC[C@H](CO)NC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000330638827 386808791 /nfs/dbraw/zinc/80/87/91/386808791.db2.gz AOTNSIFNNSDMFY-MXWKQRLJSA-N 1 0 243.351 0.744 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](NC(=O)C(C)(C)C#N)C1 ZINC000330644708 386811461 /nfs/dbraw/zinc/81/14/61/386811461.db2.gz KQMXHAQIQGSSFF-SNVBAGLBSA-N 1 0 239.319 0.373 20 30 BCEDRO CN(C)C(=O)NCC[N@H+](C)CCn1ccnc1 ZINC000330686146 386830085 /nfs/dbraw/zinc/83/00/85/386830085.db2.gz ANHYIIRSPHXKSN-UHFFFAOYSA-N 1 0 239.323 0.291 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNC(=O)c1cc[nH]c1 ZINC000330696908 386834416 /nfs/dbraw/zinc/83/44/16/386834416.db2.gz KKFBHKFXAXEALM-NSHDSACASA-N 1 0 236.319 0.565 20 30 BCEDRO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@@H](O)Cn1cccn1 ZINC000330802201 386892559 /nfs/dbraw/zinc/89/25/59/386892559.db2.gz ARXQUAYMYCVOSX-QJPTWQEYSA-N 1 0 234.303 0.526 20 30 BCEDRO C=CC[NH+](CC=C)C[C@H](O)Cn1cccn1 ZINC000051767207 386870285 /nfs/dbraw/zinc/87/02/85/386870285.db2.gz VUCODEQNQHBANA-LBPRGKRZSA-N 1 0 221.304 0.918 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)C[C@H](C)O ZINC000051821438 386871039 /nfs/dbraw/zinc/87/10/39/386871039.db2.gz UKCBIORPZPVQEQ-NSHDSACASA-N 1 0 226.320 0.500 20 30 BCEDRO CN(C)c1cnc(C(=O)NCC[NH+](C)C)cn1 ZINC000330758754 386879780 /nfs/dbraw/zinc/87/97/80/386879780.db2.gz LVEBYJKLRRWONF-UHFFFAOYSA-N 1 0 237.307 0.409 20 30 BCEDRO CC#CCN1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000335754967 386880341 /nfs/dbraw/zinc/88/03/41/386880341.db2.gz NEDOMKYLJADXMY-VXGBXAGGSA-N 1 0 209.289 0.890 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NC(=O)NCC[C@H](C)O)C1 ZINC000330793227 386890997 /nfs/dbraw/zinc/89/09/97/386890997.db2.gz CTYOWCONVGOMFZ-QWRGUYRKSA-N 1 0 243.351 0.745 20 30 BCEDRO Cc1cc(NCCOCC[NH+](C)C)c(C#N)cn1 ZINC000399521037 386955446 /nfs/dbraw/zinc/95/54/46/386955446.db2.gz QOLCKCBDWZQEFM-UHFFFAOYSA-N 1 0 248.330 0.674 20 30 BCEDRO CC#CCCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418033781 387054734 /nfs/dbraw/zinc/05/47/34/387054734.db2.gz SASOTQPPMAAZQU-MRVPVSSYSA-N 1 0 233.262 0.682 20 30 BCEDRO C=CCN1CC[C@H]([NH2+]C(C)(C)CN(C)C)C1=O ZINC000459569390 387059762 /nfs/dbraw/zinc/05/97/62/387059762.db2.gz XXNOOINGRCIPSD-NSHDSACASA-N 1 0 239.363 0.703 20 30 BCEDRO CCN(CCO)CC[NH2+]Cc1cccc(C#N)c1 ZINC000184538449 387065356 /nfs/dbraw/zinc/06/53/56/387065356.db2.gz QNKXMUPTHFIOMU-UHFFFAOYSA-N 1 0 247.342 0.962 20 30 BCEDRO CCCNC(=O)CNc1cc(C)ncc1C#N ZINC000399588502 387026856 /nfs/dbraw/zinc/02/68/56/387026856.db2.gz OFVOCBGRIAGHFK-UHFFFAOYSA-N 1 0 232.287 0.622 20 30 BCEDRO C=CCN1CC[C@H](N2CC[NH2+][C@H](C)C2)C1=O ZINC000334998117 387091030 /nfs/dbraw/zinc/09/10/30/387091030.db2.gz KJTFDUWWRVMKOG-MNOVXSKESA-N 1 0 223.320 0.067 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000645504251 387101282 /nfs/dbraw/zinc/10/12/82/387101282.db2.gz HRWKEWLZPVUPEQ-QWRGUYRKSA-N 1 0 241.335 0.010 20 30 BCEDRO C=CCCCNC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418097195 387105604 /nfs/dbraw/zinc/10/56/04/387105604.db2.gz JQYWQBQUEFLTPZ-NSHDSACASA-N 1 0 240.351 0.155 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1cc(C#N)ccn1 ZINC000354501715 387118115 /nfs/dbraw/zinc/11/81/15/387118115.db2.gz DWEKCWATZDFREW-UHFFFAOYSA-N 1 0 232.287 0.587 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000228099314 387068110 /nfs/dbraw/zinc/06/81/10/387068110.db2.gz MUCFKBMLKPZQMY-NNYUYHANSA-N 1 0 238.331 0.380 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=O)NCCC[NH3+] ZINC000418134133 387162628 /nfs/dbraw/zinc/16/26/28/387162628.db2.gz MALLMJHKMZFOOJ-MNOVXSKESA-N 1 0 241.335 0.616 20 30 BCEDRO COCCNCC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000423344580 387193316 /nfs/dbraw/zinc/19/33/16/387193316.db2.gz WZLXQCGYODWTJN-NWDGAFQWSA-N 1 0 225.336 0.894 20 30 BCEDRO CN(CC[NH3+])C(=O)NCC#Cc1cccc(F)c1 ZINC000418158543 387176892 /nfs/dbraw/zinc/17/68/92/387176892.db2.gz QBJRIYYDPHWLPX-UHFFFAOYSA-N 1 0 249.289 0.777 20 30 BCEDRO C=CC[C@H](CC)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418151877 387181894 /nfs/dbraw/zinc/18/18/94/387181894.db2.gz TYPQFVREYNWNMF-QWRGUYRKSA-N 1 0 241.335 0.629 20 30 BCEDRO C=CCCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000418104314 387133721 /nfs/dbraw/zinc/13/37/21/387133721.db2.gz XQWNETOCCTVEST-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO N#CCCN[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000572158523 387253502 /nfs/dbraw/zinc/25/35/02/387253502.db2.gz XGFFODJHVUWKMS-LLVKDONJSA-N 1 0 211.309 0.336 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)[C@@H](C)C#N)CC[N@@H+]1C ZINC000336419587 387246291 /nfs/dbraw/zinc/24/62/91/387246291.db2.gz NFCDNUADGQSDDY-WDEREUQCSA-N 1 0 223.320 0.945 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000352481923 387247355 /nfs/dbraw/zinc/24/73/55/387247355.db2.gz RHGPQXYECDPSQU-JTQLQIEISA-N 1 0 232.287 0.605 20 30 BCEDRO C[C@H]1CC[N@H+](CCCC#N)[C@H](C(N)=O)C1 ZINC000187426891 387196679 /nfs/dbraw/zinc/19/66/79/387196679.db2.gz HGVJOIIBBRMJSW-UWVGGRQHSA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000336484389 387311600 /nfs/dbraw/zinc/31/16/00/387311600.db2.gz FKSZPMYUEFAZBV-NWDGAFQWSA-N 1 0 248.330 0.802 20 30 BCEDRO C=CC[N@H+](CCOC)CC[C@H]1CCNC1=O ZINC000572300663 387311993 /nfs/dbraw/zinc/31/19/93/387311993.db2.gz IKSJNUYNDSAIPJ-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H]1CCOC[C@H]1C ZINC000392759348 387280241 /nfs/dbraw/zinc/28/02/41/387280241.db2.gz KAQUEXZTZLNOAW-OLZOCXBDSA-N 1 0 224.348 0.956 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000392759350 387281500 /nfs/dbraw/zinc/28/15/00/387281500.db2.gz KAQUEXZTZLNOAW-QWHCGFSZSA-N 1 0 224.348 0.956 20 30 BCEDRO C=CCCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000189471949 387283521 /nfs/dbraw/zinc/28/35/21/387283521.db2.gz AEAPCOLOIWAEIW-UHFFFAOYSA-N 1 0 226.320 0.791 20 30 BCEDRO C[C@@H]([NH2+]Cc1ccc(C#N)cc1)C(N)=O ZINC000035793513 387375866 /nfs/dbraw/zinc/37/58/66/387375866.db2.gz FXZMRFRPIWHGFD-MRVPVSSYSA-N 1 0 203.245 0.522 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)CC(C)(C)O ZINC000086274783 387346329 /nfs/dbraw/zinc/34/63/29/387346329.db2.gz BNXPKHVRKPSXTI-JTQLQIEISA-N 1 0 226.320 0.217 20 30 BCEDRO CC#CCNC(=O)NCC[N@H+](C)C1CC1 ZINC000270637641 387433795 /nfs/dbraw/zinc/43/37/95/387433795.db2.gz HGJMRXYNYVLOQR-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000270730670 387436211 /nfs/dbraw/zinc/43/62/11/387436211.db2.gz QXAITMSVAHEKPY-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO C=CCN(C(=O)C[NH2+]C[C@H]1CCCO1)C1CC1 ZINC000423887551 387444664 /nfs/dbraw/zinc/44/46/64/387444664.db2.gz GTQHPEFPDPXIQB-GFCCVEGCSA-N 1 0 238.331 0.932 20 30 BCEDRO C[NH+](C)C1CN(C(=O)C#Cc2ccccc2)C1 ZINC000271786118 387447186 /nfs/dbraw/zinc/44/71/86/387447186.db2.gz TVYRFOAVVBITLE-UHFFFAOYSA-N 1 0 228.295 0.811 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000273533081 387459801 /nfs/dbraw/zinc/45/98/01/387459801.db2.gz WSQCABVTNJILNK-VHSXEESVSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCOCCCC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000423692545 387395900 /nfs/dbraw/zinc/39/59/00/387395900.db2.gz ZUQVRHUKRGMADT-QWRGUYRKSA-N 1 0 226.320 0.917 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](COC)C(C)C ZINC000083400117 387410491 /nfs/dbraw/zinc/41/04/91/387410491.db2.gz VKUMACWBPXYJLS-WDEREUQCSA-N 1 0 226.320 0.385 20 30 BCEDRO C[NH+](C)CCNC(=O)C#Cc1ccccc1 ZINC000269701584 387422835 /nfs/dbraw/zinc/42/28/35/387422835.db2.gz MUMXYRKFOUPQMY-UHFFFAOYSA-N 1 0 216.284 0.716 20 30 BCEDRO C[C@@]1(C(N)=O)CC[N@H+](CCCSCC#N)C1 ZINC000361566390 387495757 /nfs/dbraw/zinc/49/57/57/387495757.db2.gz RWRXETICQOBECT-LLVKDONJSA-N 1 0 241.360 0.831 20 30 BCEDRO C[NH+](C)[C@H]1CN(c2cccc(C#N)n2)C[C@@H]1O ZINC000292355248 387496220 /nfs/dbraw/zinc/49/62/20/387496220.db2.gz ONIYPFRNJAKLOW-QWRGUYRKSA-N 1 0 232.287 0.064 20 30 BCEDRO C#CCCN1CCN(CC)C(=O)C1(C)C ZINC000275091278 387498685 /nfs/dbraw/zinc/49/86/85/387498685.db2.gz HYJVKBFOMSPZQS-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000375080814 387512011 /nfs/dbraw/zinc/51/20/11/387512011.db2.gz NFHNQCRFLRBNQN-CHLKDNDDSA-N 1 0 239.319 0.561 20 30 BCEDRO C=C[C@@](C)(CCOC)C(=O)NCC[NH+](C)C ZINC000275762689 387512486 /nfs/dbraw/zinc/51/24/86/387512486.db2.gz UXDBPDFOMBRUES-LBPRGKRZSA-N 1 0 228.336 0.893 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCCC[NH2+]C(C)C ZINC000516554995 387523997 /nfs/dbraw/zinc/52/39/97/387523997.db2.gz ITYOCSPCMWZYIL-LLVKDONJSA-N 1 0 243.351 0.611 20 30 BCEDRO CN(CC(F)F)C(=O)[C@H]([NH3+])CCCC#N ZINC000424108268 387529701 /nfs/dbraw/zinc/52/97/01/387529701.db2.gz QCQCPNMVWSOIFP-SSDOTTSWSA-N 1 0 219.235 0.731 20 30 BCEDRO CC#CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000277322552 387533107 /nfs/dbraw/zinc/53/31/07/387533107.db2.gz FYJULZLBMYOOJJ-WDEREUQCSA-N 1 0 206.289 0.753 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)NCCOCC1CC1 ZINC000424111167 387544400 /nfs/dbraw/zinc/54/44/00/387544400.db2.gz GMWSTPZSHGYGQP-LLVKDONJSA-N 1 0 239.319 0.550 20 30 BCEDRO CC#CC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000277311079 387533520 /nfs/dbraw/zinc/53/35/20/387533520.db2.gz BPQBBXHBWKSAFE-MNOVXSKESA-N 1 0 206.289 0.705 20 30 BCEDRO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)[NH+](C)C ZINC000269718826 387465256 /nfs/dbraw/zinc/46/52/56/387465256.db2.gz TUWQEKQOEBYFIS-QMMMGPOBSA-N 1 0 220.276 0.566 20 30 BCEDRO C=CCC1(C(=O)N2CC[NH2+]CC2)CCOCC1 ZINC000424064508 387474694 /nfs/dbraw/zinc/47/46/94/387474694.db2.gz ZPWLDAXYJVDSME-UHFFFAOYSA-N 1 0 238.331 0.791 20 30 BCEDRO CN(C[C@@H]1CCCO1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424080471 387479858 /nfs/dbraw/zinc/47/98/58/387479858.db2.gz IGWYLJCOQYWQMJ-WDEREUQCSA-N 1 0 239.319 0.645 20 30 BCEDRO COC(C)(C)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424120954 387580655 /nfs/dbraw/zinc/58/06/55/387580655.db2.gz HQSIPZQPJAMPGZ-SECBINFHSA-N 1 0 227.308 0.549 20 30 BCEDRO CNC(=O)[C@]1(C)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000430270573 387605308 /nfs/dbraw/zinc/60/53/08/387605308.db2.gz RYSGNHHXTOCNGA-DGCLKSJQSA-N 1 0 248.330 0.888 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C[C@H]2COCCN2)C1 ZINC000527533842 387624650 /nfs/dbraw/zinc/62/46/50/387624650.db2.gz WFJBPBMKYQCADW-UTUOFQBUSA-N 1 0 223.320 0.647 20 30 BCEDRO CC(C)C[C@@H](CNC(=O)CC#N)[NH+](C)C ZINC000356206725 387626630 /nfs/dbraw/zinc/62/66/30/387626630.db2.gz QKVRQYLWDYPXEP-JTQLQIEISA-N 1 0 211.309 0.993 20 30 BCEDRO CC#CC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000277872888 387548936 /nfs/dbraw/zinc/54/89/36/387548936.db2.gz ZYUZMRQBGJDSHU-QWRGUYRKSA-N 1 0 208.305 0.808 20 30 BCEDRO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CCS1 ZINC000424118049 387560178 /nfs/dbraw/zinc/56/01/78/387560178.db2.gz ZSKWHFNSKWTSOZ-NXEZZACHSA-N 1 0 241.360 0.971 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCCC[NH+](C)C ZINC000279136262 387560708 /nfs/dbraw/zinc/56/07/08/387560708.db2.gz CNHOYFDTUGAXMR-LLVKDONJSA-N 1 0 214.309 0.381 20 30 BCEDRO C#CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000362075066 387568690 /nfs/dbraw/zinc/56/86/90/387568690.db2.gz CGPKROBTJWRGMI-ZIAGYGMSSA-N 1 0 235.375 0.577 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418772277 387572802 /nfs/dbraw/zinc/57/28/02/387572802.db2.gz SRAAZSMBZIGZEN-IVZWLZJFSA-N 1 0 211.309 0.988 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1COC[C@H]1OCC ZINC000451945345 387686514 /nfs/dbraw/zinc/68/65/14/387686514.db2.gz IUROZMBWJAYYBG-GHMZBOCLSA-N 1 0 215.293 0.583 20 30 BCEDRO C=C(C)CC[N@H+]1CCN(CCO)C[C@@H]1C ZINC000452127717 387750876 /nfs/dbraw/zinc/75/08/76/387750876.db2.gz LJKHEABZALXJKZ-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO Cc1cc(NC(=O)[C@H]([NH3+])CCCC#N)ccn1 ZINC000424142687 387736594 /nfs/dbraw/zinc/73/65/94/387736594.db2.gz VPFRXSIVONJWTR-LLVKDONJSA-N 1 0 232.287 0.772 20 30 BCEDRO Cc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)ccn1 ZINC000424142688 387737243 /nfs/dbraw/zinc/73/72/43/387737243.db2.gz VPFRXSIVONJWTR-NSHDSACASA-N 1 0 232.287 0.772 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)[C@H]2CCCO2)C1 ZINC000527957653 387784488 /nfs/dbraw/zinc/78/44/88/387784488.db2.gz RWSGVXFZVBJRJV-NOOOWODRSA-N 1 0 224.304 0.808 20 30 BCEDRO CC(C)(CC#N)CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418301095 387809056 /nfs/dbraw/zinc/80/90/56/387809056.db2.gz YHYPDBGTBWRZHZ-SNVBAGLBSA-N 1 0 238.335 0.963 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424154092 387811451 /nfs/dbraw/zinc/81/14/51/387811451.db2.gz LBBHLBVSKVFFAS-NSHDSACASA-N 1 0 240.351 0.464 20 30 BCEDRO C=C(Cl)CN1CCC[C@@H]1C(=O)NC ZINC000170928528 387824765 /nfs/dbraw/zinc/82/47/65/387824765.db2.gz KLVWFKPDSLZGLR-MRVPVSSYSA-N 1 0 202.685 0.949 20 30 BCEDRO CN(CCC#N)C[C@H](O)COCC(F)(F)F ZINC000432828691 387830942 /nfs/dbraw/zinc/83/09/42/387830942.db2.gz KHNJDBDCCUHVJM-QMMMGPOBSA-N 1 0 240.225 0.772 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)C[NH3+] ZINC000424158175 387834008 /nfs/dbraw/zinc/83/40/08/387834008.db2.gz SIPOEZYGTYRHDG-AXFHLTTASA-N 1 0 226.320 0.679 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)C1 ZINC000442768039 387834882 /nfs/dbraw/zinc/83/48/82/387834882.db2.gz NPFMCEBXDPJDJT-KOLCDFICSA-N 1 0 244.298 0.962 20 30 BCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)[C@@H]1CCCO1 ZINC000353945784 387839757 /nfs/dbraw/zinc/83/97/57/387839757.db2.gz CJCVVORSHNHBPQ-UWVGGRQHSA-N 1 0 235.291 0.307 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CC(=O)NCC(F)(F)F)C1 ZINC000442789804 387840485 /nfs/dbraw/zinc/84/04/85/387840485.db2.gz HMJHAFZSDGWJEH-YUMQZZPRSA-N 1 0 249.236 0.947 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000442838227 387848421 /nfs/dbraw/zinc/84/84/21/387848421.db2.gz SCCWELAXILPZCV-NXEZZACHSA-N 1 0 247.302 0.421 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CC(=O)N2CCOCC2)C1 ZINC000442848962 387850138 /nfs/dbraw/zinc/85/01/38/387850138.db2.gz ZTJDMWCOZFPWKK-GHMZBOCLSA-N 1 0 237.303 0.127 20 30 BCEDRO C=CCn1cc(CN[C@@H]2C[N@@H+](C)C[C@@H]2C)nn1 ZINC000424167496 387856854 /nfs/dbraw/zinc/85/68/54/387856854.db2.gz CMTTWKBKWIZKHO-CMPLNLGQSA-N 1 0 235.335 0.504 20 30 BCEDRO C[C@H]1C[C@]1(C#N)C(=O)N(C)CC[NH+](C)C ZINC000450025058 387862843 /nfs/dbraw/zinc/86/28/43/387862843.db2.gz RQNFKZXXNRLXDT-GXSJLCMTSA-N 1 0 209.293 0.556 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2CCO[C@@H]2C)nn1 ZINC000424172094 387864287 /nfs/dbraw/zinc/86/42/87/387864287.db2.gz NHYFSDAMPAANLA-MWLCHTKSSA-N 1 0 222.292 0.731 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H]([NH3+])C1CC1 ZINC000424155018 387815090 /nfs/dbraw/zinc/81/50/90/387815090.db2.gz NBBGQLASMSLFCA-WOPDTQHZSA-N 1 0 238.331 0.821 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1CCCC[C@@H]1O ZINC000424180203 387890525 /nfs/dbraw/zinc/89/05/25/387890525.db2.gz NFKGMDHUDNMZGT-VWYCJHECSA-N 1 0 239.319 0.427 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@H](C)[C@H](C)[NH3+])nn1 ZINC000424179734 387891712 /nfs/dbraw/zinc/89/17/12/387891712.db2.gz UBFCEIWRIVZVDS-DTWKUNHWSA-N 1 0 237.307 0.320 20 30 BCEDRO CCC[C@H](C(=O)N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC000162031672 387877884 /nfs/dbraw/zinc/87/78/84/387877884.db2.gz YYJZQSFFMYVZCJ-WDEREUQCSA-N 1 0 239.319 0.468 20 30 BCEDRO CCc1ncc(NC(=O)[C@H]([NH3+])CCCC#N)cn1 ZINC000424186244 387903214 /nfs/dbraw/zinc/90/32/14/387903214.db2.gz GLABJPDZGZCFRJ-SNVBAGLBSA-N 1 0 247.302 0.999 20 30 BCEDRO C=CCCn1cc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)nn1 ZINC000424207816 387929212 /nfs/dbraw/zinc/92/92/12/387929212.db2.gz XQFHLGYDGZZVFF-NXEZZACHSA-N 1 0 249.318 0.273 20 30 BCEDRO C=CCn1cc(CNC(=O)C[NH2+]CC2CC2)nn1 ZINC000424208275 387930036 /nfs/dbraw/zinc/93/00/36/387930036.db2.gz KAXWEFWMDSNCDR-UHFFFAOYSA-N 1 0 249.318 0.080 20 30 BCEDRO C=C(C)CC[NH2+][C@@H]1CCN[C@@H]1C(=O)OCC ZINC000423154902 387933748 /nfs/dbraw/zinc/93/37/48/387933748.db2.gz PNVLWZYDKIQATJ-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO CC(C)[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424217041 387935248 /nfs/dbraw/zinc/93/52/48/387935248.db2.gz KFNNWNCWVHOYDE-AEJSXWLSSA-N 1 0 209.293 0.778 20 30 BCEDRO CC(C)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000444772709 387926808 /nfs/dbraw/zinc/92/68/08/387926808.db2.gz OHPDZHSFPXKEMN-NSHDSACASA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H](C)[C@@H]2CCOC2)nn1 ZINC000424293093 387955145 /nfs/dbraw/zinc/95/51/45/387955145.db2.gz HZMPTYFIGLVLET-GHMZBOCLSA-N 1 0 236.319 0.979 20 30 BCEDRO C=C(CC)C[NH2+][C@H]1CCN[C@@H]1C(=O)OCC ZINC000423161689 387944485 /nfs/dbraw/zinc/94/44/85/387944485.db2.gz OBZDURLJPNYPCQ-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCn1cc(C(=O)NCCC[NH+](C)C)nn1 ZINC000648713298 387945235 /nfs/dbraw/zinc/94/52/35/387945235.db2.gz SXQPLYKXPLAUAI-UHFFFAOYSA-N 1 0 237.307 0.146 20 30 BCEDRO C[C@H]1C[C@]1(C#N)C(=O)NCC[NH+]1CCCC1 ZINC000448608407 387951155 /nfs/dbraw/zinc/95/11/55/387951155.db2.gz WBZIBFYMSADXJX-CMPLNLGQSA-N 1 0 221.304 0.748 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000453017870 387961395 /nfs/dbraw/zinc/96/13/95/387961395.db2.gz XOVOAHMDYRKZEF-NTZNESFSSA-N 1 0 238.331 0.476 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000453017867 387962116 /nfs/dbraw/zinc/96/21/16/387962116.db2.gz XOVOAHMDYRKZEF-MDZLAQPJSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCCS(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000445732013 387962303 /nfs/dbraw/zinc/96/23/03/387962303.db2.gz JJWSSKAPTDIOMU-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2CCOC[C@H]2C)nn1 ZINC000424296402 387957239 /nfs/dbraw/zinc/95/72/39/387957239.db2.gz OIOUENBBJNGVLJ-ZYHUDNBSSA-N 1 0 236.319 0.979 20 30 BCEDRO C[N@H+](CCOCCC#N)CC(C)(C)O ZINC000339000572 135051880 /nfs/dbraw/zinc/05/18/80/135051880.db2.gz KDPOZRFPLPWSQQ-UHFFFAOYSA-N 1 0 200.282 0.619 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CCC[C@H]2C[NH3+])nn1 ZINC000424368834 387994239 /nfs/dbraw/zinc/99/42/39/387994239.db2.gz BWOMFEJVQUOGLQ-CMPLNLGQSA-N 1 0 235.335 0.681 20 30 BCEDRO COC[C@H](C(N)=O)[N@H+](C)CCCSCC#N ZINC000339356147 135071964 /nfs/dbraw/zinc/07/19/64/135071964.db2.gz BCMPFIHOVGUQDA-SECBINFHSA-N 1 0 245.348 0.065 20 30 BCEDRO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC[NH2+]1 ZINC000424467952 388012136 /nfs/dbraw/zinc/01/21/36/388012136.db2.gz NITIIADPLMGGCM-OUAUKWLOSA-N 1 0 236.319 0.682 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424460547 388012327 /nfs/dbraw/zinc/01/23/27/388012327.db2.gz BHEJRAWOXHTQCC-AATLWQCWSA-N 1 0 224.308 0.714 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC(C)(C)C[NH3+] ZINC000424472230 388014204 /nfs/dbraw/zinc/01/42/04/388014204.db2.gz ULSZTYVBXGIMDB-UWVGGRQHSA-N 1 0 241.335 0.614 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1c1ccc(C#N)nc1 ZINC000238398843 388014520 /nfs/dbraw/zinc/01/45/20/388014520.db2.gz IARUHZUHXPODQC-SECBINFHSA-N 1 0 202.261 0.751 20 30 BCEDRO C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424476994 388033832 /nfs/dbraw/zinc/03/38/32/388033832.db2.gz KUVNHLFNAOVFMJ-GARJFASQSA-N 1 0 238.335 0.833 20 30 BCEDRO C[N@H+](CC(=O)N[C@@](C)(C#N)C1CC1)C1CC1 ZINC000046601848 388034499 /nfs/dbraw/zinc/03/44/99/388034499.db2.gz YLQFFJMNAMJXBV-LBPRGKRZSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@H](C[NH3+])NS(=O)(=O)c1cccc(C#N)c1 ZINC000082578401 388037406 /nfs/dbraw/zinc/03/74/06/388037406.db2.gz HTVXAWLKEYYVSK-MRVPVSSYSA-N 1 0 239.300 0.184 20 30 BCEDRO CN1CC[C@](O)(C[NH2+][C@@H]2CCC[C@@H](C#N)C2)C1 ZINC000446756458 388037723 /nfs/dbraw/zinc/03/77/23/388037723.db2.gz IPLLDMSTYDCCBA-UPJWGTAASA-N 1 0 237.347 0.725 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000440335090 388038850 /nfs/dbraw/zinc/03/88/50/388038850.db2.gz FNEYZLJODROUPZ-WDEREUQCSA-N 1 0 246.376 0.870 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](O)CO[C@H](C)COC ZINC000447272788 388059823 /nfs/dbraw/zinc/05/98/23/388059823.db2.gz XUXONFMCUBNDJR-VXGBXAGGSA-N 1 0 231.336 0.907 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2COCCO2)C1 ZINC000336658050 388073804 /nfs/dbraw/zinc/07/38/04/388073804.db2.gz BCTRIUVGTATJKV-VWYCJHECSA-N 1 0 210.277 0.684 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H](C)C[NH3+] ZINC000336657788 388074474 /nfs/dbraw/zinc/07/44/74/388074474.db2.gz PVHTXVADCVTALV-QMMMGPOBSA-N 1 0 206.311 0.077 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000084796688 388081330 /nfs/dbraw/zinc/08/13/30/388081330.db2.gz BMAALPHBTLHCEC-OUAUKWLOSA-N 1 0 221.304 0.889 20 30 BCEDRO C[NH+](C)CC(C)(C)NC(=O)c1c[nH]c(C#N)c1 ZINC000454358775 388115274 /nfs/dbraw/zinc/11/52/74/388115274.db2.gz LBKADISEOXVISK-UHFFFAOYSA-N 1 0 234.303 0.956 20 30 BCEDRO N#Cc1cncc(N2CC[C@H]3CC[NH2+][C@H]3C2)n1 ZINC000592466621 388159402 /nfs/dbraw/zinc/15/94/02/388159402.db2.gz SUGLUEBGWWMHJO-KOLCDFICSA-N 1 0 229.287 0.536 20 30 BCEDRO CC#CCCCC(=O)N[C@H](CO)C[NH+](C)C ZINC000646208759 388165393 /nfs/dbraw/zinc/16/53/93/388165393.db2.gz IEYQCTUMMXZEQZ-NSHDSACASA-N 1 0 226.320 0.219 20 30 BCEDRO C=CCCC(=O)N1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000456207268 388184886 /nfs/dbraw/zinc/18/48/86/388184886.db2.gz GGLFQYASDSSBCC-TXEJJXNPSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C)CCNC(=O)NCC[N@@H+](C)CCOC ZINC000454448111 388118377 /nfs/dbraw/zinc/11/83/77/388118377.db2.gz WGNOPDCUQYSUIS-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=CC(C)(C)C(=O)N1CCN(CCOC)CC1 ZINC000448971354 388124203 /nfs/dbraw/zinc/12/42/03/388124203.db2.gz OBQKOALFBMLUDC-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)[C@@]1(C#N)C[C@H]1C ZINC000448979043 388124770 /nfs/dbraw/zinc/12/47/70/388124770.db2.gz FQONLKCNQGHZDL-ZYHUDNBSSA-N 1 0 223.320 0.993 20 30 BCEDRO C#C[C@H](C)N(C)S(=O)(=O)CC[NH+]1CCCC1 ZINC000490740028 388250468 /nfs/dbraw/zinc/25/04/68/388250468.db2.gz IDENEJXLGFXIQM-NSHDSACASA-N 1 0 244.360 0.366 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)COC1CCOCC1 ZINC000490819894 388254324 /nfs/dbraw/zinc/25/43/24/388254324.db2.gz LFIRRKRYBJAKHJ-GFCCVEGCSA-N 1 0 241.331 0.498 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@H]1CN(CC)CCO1 ZINC000490780705 388254328 /nfs/dbraw/zinc/25/43/28/388254328.db2.gz POKYFPPYPAMUDY-CYBMUJFWSA-N 1 0 248.326 0.192 20 30 BCEDRO C=C(Cl)CNC(=O)C[C@@H]1COCC[NH2+]1 ZINC000167959660 388256579 /nfs/dbraw/zinc/25/65/79/388256579.db2.gz INLJDMPDUYMESX-MRVPVSSYSA-N 1 0 218.684 0.234 20 30 BCEDRO C[C@@H](CO)[N@H+](C)CCCSCC#N ZINC000163163859 388257816 /nfs/dbraw/zinc/25/78/16/388257816.db2.gz IGZPHMSTFKNTDD-VIFPVBQESA-N 1 0 202.323 0.946 20 30 BCEDRO C#CCNC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000490893157 388258194 /nfs/dbraw/zinc/25/81/94/388258194.db2.gz RPRYTYBAQXBCQQ-WDEREUQCSA-N 1 0 223.320 0.744 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)CC(=O)N(C)C ZINC000449522559 388223157 /nfs/dbraw/zinc/22/31/57/388223157.db2.gz VICMMGQLBGADHZ-MXWKQRLJSA-N 1 0 226.320 0.786 20 30 BCEDRO C=CCOCCCC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000449601238 388240292 /nfs/dbraw/zinc/24/02/92/388240292.db2.gz MGVCTVQTSHQZHA-UWVGGRQHSA-N 1 0 214.309 0.821 20 30 BCEDRO C#CCN1CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000490615504 388243085 /nfs/dbraw/zinc/24/30/85/388243085.db2.gz FLZPPAFNCFGNJR-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)COCC ZINC000490616917 388243109 /nfs/dbraw/zinc/24/31/09/388243109.db2.gz MGUCFPCVLJZPHV-NSHDSACASA-N 1 0 225.288 0.664 20 30 BCEDRO C#CCNC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000490655677 388245635 /nfs/dbraw/zinc/24/56/35/388245635.db2.gz BPKPGIIRCITOOD-UHFFFAOYSA-N 1 0 221.304 0.499 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(COC)CC1 ZINC000490652433 388246120 /nfs/dbraw/zinc/24/61/20/388246120.db2.gz XJQNSGVGJJSGHF-LLVKDONJSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(C)CC[N@H+]1C[C@@H](O)C[C@@H]1C(=O)OC ZINC000164828410 388248248 /nfs/dbraw/zinc/24/82/48/388248248.db2.gz GVOAVUKPTKXLTE-VHSXEESVSA-N 1 0 213.277 0.561 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000491267534 388281180 /nfs/dbraw/zinc/28/11/80/388281180.db2.gz UFGZWRBCWRNEDF-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCC(=O)OCC ZINC000451602097 388283505 /nfs/dbraw/zinc/28/35/05/388283505.db2.gz WGWUZZTYAKEWAS-ZJUUUORDSA-N 1 0 213.277 0.873 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCC(C)C ZINC000451602085 388283544 /nfs/dbraw/zinc/28/35/44/388283544.db2.gz WEUBOCHPQGYVDH-MNOVXSKESA-N 1 0 226.320 0.692 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCCN1CCOCC1 ZINC000451610140 388283705 /nfs/dbraw/zinc/28/37/05/388283705.db2.gz XMLJGTDSYFHFGO-OLZOCXBDSA-N 1 0 240.347 0.642 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCC1([NH3+])CCC1 ZINC000491309275 388284602 /nfs/dbraw/zinc/28/46/02/388284602.db2.gz YIHTVCALTAPUAZ-SNVBAGLBSA-N 1 0 223.320 0.969 20 30 BCEDRO C#CCN(CC)C(=O)NCC[NH2+]CCC ZINC000491337594 388285971 /nfs/dbraw/zinc/28/59/71/388285971.db2.gz BJBNPQGKIHOQIJ-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO C=CCCC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451635955 388286329 /nfs/dbraw/zinc/28/63/29/388286329.db2.gz SLYFICXEZNBVOW-DTORHVGOSA-N 1 0 208.261 0.157 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)CC[NH2+]C)C(C)C ZINC000491338554 388286404 /nfs/dbraw/zinc/28/64/04/388286404.db2.gz JMXHBCVWLLFDTQ-SNVBAGLBSA-N 1 0 211.309 0.505 20 30 BCEDRO C#CC[NH+](CC#C)CC[C@@H]1CCNC1=O ZINC000491361934 388288052 /nfs/dbraw/zinc/28/80/52/388288052.db2.gz OHTHYDMKTANMLZ-NSHDSACASA-N 1 0 204.273 0.081 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCN1CCOCC1 ZINC000451676550 388289069 /nfs/dbraw/zinc/28/90/69/388289069.db2.gz SOYKHVMWMASODM-OLZOCXBDSA-N 1 0 240.347 0.642 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000451676255 388289100 /nfs/dbraw/zinc/28/91/00/388289100.db2.gz SEUOWZZCVNTNRE-NEPJUHHUSA-N 1 0 238.331 0.930 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)COCc1ccccc1 ZINC000491380835 388290125 /nfs/dbraw/zinc/29/01/25/388290125.db2.gz BABXFLFHAPXJJA-KGLIPLIRSA-N 1 0 249.310 0.148 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000491382076 388290295 /nfs/dbraw/zinc/29/02/95/388290295.db2.gz HLWNVEDRULKACW-GHMZBOCLSA-N 1 0 223.320 0.649 20 30 BCEDRO C#C[C@H](CCC)NC(=[NH2+])N[C@@H](C)COC ZINC000491380978 388290518 /nfs/dbraw/zinc/29/05/18/388290518.db2.gz BZUVQDIRPPQLSH-VHSXEESVSA-N 1 0 211.309 0.937 20 30 BCEDRO C#CCN(C[C@@H]1C[C@@H]1C)[C@H]1CCS(=O)(=O)C1 ZINC000491384913 388291076 /nfs/dbraw/zinc/29/10/76/388291076.db2.gz QBPJQVYOYCTPLT-SRVKXCTJSA-N 1 0 241.356 0.765 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000491396757 388291762 /nfs/dbraw/zinc/29/17/62/388291762.db2.gz ZTXOMGCLSYOMCO-QWRGUYRKSA-N 1 0 221.304 0.390 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000491414109 388292980 /nfs/dbraw/zinc/29/29/80/388292980.db2.gz BABXFLFHAPXJJA-ZIAGYGMSSA-N 1 0 249.310 0.148 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCC(C)(C)[NH3+] ZINC000491440323 388294935 /nfs/dbraw/zinc/29/49/35/388294935.db2.gz OOGFFCDSAULDPV-SECBINFHSA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000491484988 388298114 /nfs/dbraw/zinc/29/81/14/388298114.db2.gz MERLHMTWAHMBDY-OLZOCXBDSA-N 1 0 249.310 0.318 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H](C)C[NH2+]C ZINC000491496778 388299296 /nfs/dbraw/zinc/29/92/96/388299296.db2.gz SWHARWZKSJGTGS-LBPRGKRZSA-N 1 0 235.331 0.510 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)C[C@@H](O)COCCOC ZINC000491507985 388299723 /nfs/dbraw/zinc/29/97/23/388299723.db2.gz XXJYURUYCMFXCC-LLVKDONJSA-N 1 0 229.320 0.354 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)C[N@@H+](C)CCC ZINC000491514334 388300036 /nfs/dbraw/zinc/30/00/36/388300036.db2.gz HOULJZVNLFGLPK-NSHDSACASA-N 1 0 224.304 0.189 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cnccc1OC ZINC000491525636 388301263 /nfs/dbraw/zinc/30/12/63/388301263.db2.gz TYQWETOKOXOWHZ-UHFFFAOYSA-N 1 0 247.298 0.319 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCCC[NH2+]C1CC1 ZINC000491538394 388302533 /nfs/dbraw/zinc/30/25/33/388302533.db2.gz YUUQLODOMZQYIH-UHFFFAOYSA-N 1 0 247.342 0.797 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCc1ccccn1 ZINC000491555092 388303628 /nfs/dbraw/zinc/30/36/28/388303628.db2.gz OQAIHHNCHDVMDS-UHFFFAOYSA-N 1 0 245.326 0.743 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](C)CC(=O)N(C)C ZINC000491566976 388304168 /nfs/dbraw/zinc/30/41/68/388304168.db2.gz IZTOHQUBSYCYBA-GFCCVEGCSA-N 1 0 239.363 0.398 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NC[C@H](C)[NH+](C)C ZINC000491568162 388304216 /nfs/dbraw/zinc/30/42/16/388304216.db2.gz PEMAFMJVJWGTFV-UWVGGRQHSA-N 1 0 211.309 0.648 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@]1(C)CCOC1 ZINC000491570232 388304593 /nfs/dbraw/zinc/30/45/93/388304593.db2.gz ZZOXKPWGROHAJQ-GFCCVEGCSA-N 1 0 224.304 0.142 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](CCC)OC ZINC000491616295 388304654 /nfs/dbraw/zinc/30/46/54/388304654.db2.gz APWYCYCRGUTDKI-LLVKDONJSA-N 1 0 226.320 0.531 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](CCC)OC ZINC000491616297 388304656 /nfs/dbraw/zinc/30/46/56/388304656.db2.gz APWYCYCRGUTDKI-NSHDSACASA-N 1 0 226.320 0.531 20 30 BCEDRO C#CCN(C)C(=O)NCC[C@H]1CCC[N@H+](C)C1 ZINC000491616019 388304963 /nfs/dbraw/zinc/30/49/63/388304963.db2.gz HTWGAYLTOZEOMQ-GFCCVEGCSA-N 1 0 237.347 0.993 20 30 BCEDRO C#CC[N@H+](CCN1CCOCC1)C1CC1 ZINC000491619314 388305104 /nfs/dbraw/zinc/30/51/04/388305104.db2.gz FSUPVHKUMMDKQH-UHFFFAOYSA-N 1 0 208.305 0.416 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=S)NC1CCC1 ZINC000491618983 388305111 /nfs/dbraw/zinc/30/51/11/388305111.db2.gz LVLRNOXAGGKCAC-UHFFFAOYSA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCN(C(=O)NCC(C)(C)[NH3+])C1CC1 ZINC000491625932 388305748 /nfs/dbraw/zinc/30/57/48/388305748.db2.gz SAMWZPSAPSEHKT-UHFFFAOYSA-N 1 0 209.293 0.531 20 30 BCEDRO C#C[C@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)C(C)C ZINC000491631200 388306579 /nfs/dbraw/zinc/30/65/79/388306579.db2.gz PWNPZMNBMVGVPC-QWRGUYRKSA-N 1 0 239.319 0.013 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCCC[NH2+]CC ZINC000491631398 388306760 /nfs/dbraw/zinc/30/67/60/388306760.db2.gz QGHDZUFTSUTSSS-UHFFFAOYSA-N 1 0 235.331 0.654 20 30 BCEDRO C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CC1 ZINC000491636727 388307212 /nfs/dbraw/zinc/30/72/12/388307212.db2.gz TZYZCCMLMPSYSQ-SNVBAGLBSA-N 1 0 206.289 0.562 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000491636288 388307290 /nfs/dbraw/zinc/30/72/90/388307290.db2.gz XGACNZYPIRVENS-WCQYABFASA-N 1 0 233.315 0.607 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCC(=O)C1 ZINC000491636827 388307302 /nfs/dbraw/zinc/30/73/02/388307302.db2.gz VEOOWRGOMCOWSE-NSHDSACASA-N 1 0 236.315 0.427 20 30 BCEDRO C#CCN(C)C(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000491653908 388308357 /nfs/dbraw/zinc/30/83/57/388308357.db2.gz DUCKEKZNATXMNZ-GFCCVEGCSA-N 1 0 239.319 0.030 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NOCC(=C)C ZINC000491656796 388308619 /nfs/dbraw/zinc/30/86/19/388308619.db2.gz IJDLMPQFAQCGSK-UHFFFAOYSA-N 1 0 239.319 0.748 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCSC[C@H]1C ZINC000491663802 388309141 /nfs/dbraw/zinc/30/91/41/388309141.db2.gz RZNMCFGZCXUADT-SNVBAGLBSA-N 1 0 226.345 0.563 20 30 BCEDRO C#CCN(C)C(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000491665596 388309394 /nfs/dbraw/zinc/30/93/94/388309394.db2.gz GHCCEZYMMUXGCS-GFCCVEGCSA-N 1 0 231.299 0.961 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000491664728 388309412 /nfs/dbraw/zinc/30/94/12/388309412.db2.gz JVAQXIYHQOCTRZ-GFCCVEGCSA-N 1 0 233.315 0.407 20 30 BCEDRO C#CCNC(=O)[C@@H]([NH3+])c1ccccc1C ZINC000491672907 388309748 /nfs/dbraw/zinc/30/97/48/388309748.db2.gz ZELZXBMYVMUQEO-NSHDSACASA-N 1 0 202.257 0.744 20 30 BCEDRO C#CCN(C(=O)NC[C@@H](C)[NH2+]CC)C1CC1 ZINC000491672045 388309943 /nfs/dbraw/zinc/30/99/43/388309943.db2.gz GQEMLNWWNFHLEP-SNVBAGLBSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccncc1C ZINC000491689695 388310865 /nfs/dbraw/zinc/31/08/65/388310865.db2.gz AYOUMVDKPZPABY-UHFFFAOYSA-N 1 0 231.299 0.619 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CC12CC2 ZINC000491690626 388311166 /nfs/dbraw/zinc/31/11/66/388311166.db2.gz CBLAOJHRSIWDGM-JTQLQIEISA-N 1 0 206.289 0.516 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1CC(C)(O)C1 ZINC000491692942 388311470 /nfs/dbraw/zinc/31/14/70/388311470.db2.gz IAGZVGVUPBDWJP-UHFFFAOYSA-N 1 0 238.331 0.219 20 30 BCEDRO C#C[C@H]1COCC[N@@H+]1CC1CC[NH2+]CC1 ZINC000491695827 388311717 /nfs/dbraw/zinc/31/17/17/388311717.db2.gz CVLCRSWCEBDKBX-LBPRGKRZSA-N 1 0 208.305 0.320 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)C[N@@H+](C)C(C)C ZINC000491695348 388311828 /nfs/dbraw/zinc/31/18/28/388311828.db2.gz BWWZZSZHIRJSKW-LLVKDONJSA-N 1 0 224.304 0.187 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)OC[C@@H]1CC ZINC000491701427 388312564 /nfs/dbraw/zinc/31/25/64/388312564.db2.gz WOGPVZNMDMAAPV-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000491700193 388312591 /nfs/dbraw/zinc/31/25/91/388312591.db2.gz SKEAHGQTJWXBEH-UHFFFAOYSA-N 1 0 235.331 0.913 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](OC(C)C)C1 ZINC000491700774 388312677 /nfs/dbraw/zinc/31/26/77/388312677.db2.gz PCKPXPGVJAUUDA-NWDGAFQWSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CCNC(=O)N1CCc2ccccc2[C@H]1C[NH3+] ZINC000491706032 388313439 /nfs/dbraw/zinc/31/34/39/388313439.db2.gz WIDVHZGSIRCRQW-CYBMUJFWSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000491707366 388313514 /nfs/dbraw/zinc/31/35/14/388313514.db2.gz NHPJDMWFTSXLEH-CHWSQXEVSA-N 1 0 247.342 0.653 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@H](OC)C1CC1 ZINC000491712909 388313973 /nfs/dbraw/zinc/31/39/73/388313973.db2.gz IVRVVQBKNNBNGW-MFKMUULPSA-N 1 0 238.331 0.529 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H](CO)CC(C)C ZINC000491719270 388314427 /nfs/dbraw/zinc/31/44/27/388314427.db2.gz YLSNCLQLCYSZLT-GFCCVEGCSA-N 1 0 240.347 0.465 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H](C)C1 ZINC000491719177 388314563 /nfs/dbraw/zinc/31/45/63/388314563.db2.gz XYPWOOSNBNORHT-GFCCVEGCSA-N 1 0 237.347 0.993 20 30 BCEDRO C#CCNC(=O)CC[NH+]1[C@@H](C)CC[C@@H]1C ZINC000491718867 388314575 /nfs/dbraw/zinc/31/45/75/388314575.db2.gz WSDCNWJFJUQVGO-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000491726254 388315033 /nfs/dbraw/zinc/31/50/33/388315033.db2.gz IVWLJLWHHJRWHG-IAZYJMLFSA-N 1 0 206.289 0.514 20 30 BCEDRO C#CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])C1CC1 ZINC000491730726 388315708 /nfs/dbraw/zinc/31/57/08/388315708.db2.gz DVPOYNODDZZFPX-DTWKUNHWSA-N 1 0 209.293 0.529 20 30 BCEDRO C#C[C@@H](NC(=O)NCCCC[NH3+])C(C)C ZINC000491746770 388315883 /nfs/dbraw/zinc/31/58/83/388315883.db2.gz QUQQCAIJADYZSG-SNVBAGLBSA-N 1 0 211.309 0.682 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@](C)(CC)CO ZINC000491731291 388315968 /nfs/dbraw/zinc/31/59/68/388315968.db2.gz PYNCQNKPKXFWAY-ZDUSSCGKSA-N 1 0 240.347 0.466 20 30 BCEDRO C#CCN(C)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000491740897 388317029 /nfs/dbraw/zinc/31/70/29/388317029.db2.gz YTFMWWDTSQEEAM-UHFFFAOYSA-N 1 0 237.347 0.993 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000491746265 388317231 /nfs/dbraw/zinc/31/72/31/388317231.db2.gz USYDPFDFWTZNKN-SNVBAGLBSA-N 1 0 221.304 0.546 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000491747033 388317250 /nfs/dbraw/zinc/31/72/50/388317250.db2.gz VZGIVJZCFNYQHI-LBPRGKRZSA-N 1 0 218.300 0.422 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=S)NC1CC1 ZINC000491753720 388318211 /nfs/dbraw/zinc/31/82/11/388318211.db2.gz PJWWCKNKIZRZHG-UHFFFAOYSA-N 1 0 225.361 0.568 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000491753671 388318285 /nfs/dbraw/zinc/31/82/85/388318285.db2.gz OXKOZKCYJKPCRC-QWHCGFSZSA-N 1 0 247.342 0.795 20 30 BCEDRO C#C[C@@H](C)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000491758183 388318475 /nfs/dbraw/zinc/31/84/75/388318475.db2.gz HMHLYQMROBCQRP-ZYHUDNBSSA-N 1 0 210.321 0.395 20 30 BCEDRO C#C[C@H]1COCCN1CCOCC(C)C ZINC000491761518 388318585 /nfs/dbraw/zinc/31/85/85/388318585.db2.gz VZTAMIVAXYCCRO-LBPRGKRZSA-N 1 0 211.305 0.993 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000491764126 388318853 /nfs/dbraw/zinc/31/88/53/388318853.db2.gz CUIVTZHQAXTYIH-DCAQKATOSA-N 1 0 223.320 0.648 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@@H](C2CC2)C1 ZINC000491775098 388319499 /nfs/dbraw/zinc/31/94/99/388319499.db2.gz UZVFUZAIEXOCBA-GFCCVEGCSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000491775099 388319687 /nfs/dbraw/zinc/31/96/87/388319687.db2.gz UZVFUZAIEXOCBA-LBPRGKRZSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCN(C)C(=O)NCCC1CC[NH+](C)CC1 ZINC000491780400 388320355 /nfs/dbraw/zinc/32/03/55/388320355.db2.gz IQAQVQAKDKOUJV-UHFFFAOYSA-N 1 0 237.347 0.993 20 30 BCEDRO C#CCN1C(=O)C[C@H]([NH+]2CCC(CC)CC2)C1=O ZINC000491781696 388320662 /nfs/dbraw/zinc/32/06/62/388320662.db2.gz GSRVHAXJMQBSMB-LBPRGKRZSA-N 1 0 248.326 0.869 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cnc(C)o1 ZINC000491783564 388320665 /nfs/dbraw/zinc/32/06/65/388320665.db2.gz PMZJSLKMJYSLLD-UHFFFAOYSA-N 1 0 221.260 0.212 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H]([NH3+])C(C)C ZINC000491785558 388320894 /nfs/dbraw/zinc/32/08/94/388320894.db2.gz RZVAXKCFEXMPPI-LBPRGKRZSA-N 1 0 235.331 0.638 20 30 BCEDRO C#CC[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000491803988 388321516 /nfs/dbraw/zinc/32/15/16/388321516.db2.gz KAYKDJBAXHXBKB-UHFFFAOYSA-N 1 0 206.249 0.254 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CC1(O)CCCC1 ZINC000491804668 388321548 /nfs/dbraw/zinc/32/15/48/388321548.db2.gz MIZQACYNXSJRJZ-UHFFFAOYSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000491802212 388321637 /nfs/dbraw/zinc/32/16/37/388321637.db2.gz FTRJFQAIILVWMX-IJLUTSLNSA-N 1 0 238.331 0.672 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H]1C1CC1 ZINC000491806104 388321815 /nfs/dbraw/zinc/32/18/15/388321815.db2.gz QFJWPBQHAPVJEW-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[N@@H+](CCN1CCNC1=O)C1CCCC1 ZINC000491808873 388322337 /nfs/dbraw/zinc/32/23/37/388322337.db2.gz XEBIJUHBHRSPSM-UHFFFAOYSA-N 1 0 235.331 0.889 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@H]1CCC[NH2+]C1)C(C)C ZINC000491814680 388323116 /nfs/dbraw/zinc/32/31/16/388323116.db2.gz KHVIVQFMTNQYJL-WDEREUQCSA-N 1 0 223.320 0.695 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)CCOC ZINC000491818967 388323954 /nfs/dbraw/zinc/32/39/54/388323954.db2.gz ROXNVVZFBXIYEF-LLVKDONJSA-N 1 0 226.320 0.388 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)N[C@H](C#N)C1CC1 ZINC000491867492 388325356 /nfs/dbraw/zinc/32/53/56/388325356.db2.gz KZCDMBQCWKSEGX-UMBAGQNISA-N 1 0 207.277 0.523 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OC[C@H](C)O)CC1 ZINC000491072987 388267654 /nfs/dbraw/zinc/26/76/54/388267654.db2.gz WUQZTRATEIHYGO-JTQLQIEISA-N 1 0 225.288 0.256 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](C)Cn1cccn1 ZINC000491071207 388267929 /nfs/dbraw/zinc/26/79/29/388267929.db2.gz IMNFPTLFNBSYLZ-ZDUSSCGKSA-N 1 0 234.347 0.816 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000646337641 388268969 /nfs/dbraw/zinc/26/89/69/388268969.db2.gz JOVYYLUZAWTYMX-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OCCF)CC1 ZINC000491095591 388269257 /nfs/dbraw/zinc/26/92/57/388269257.db2.gz LXBKDZUGCORRGH-UHFFFAOYSA-N 1 0 213.252 0.844 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCOC[C@@H]1C1CC1 ZINC000491120977 388270693 /nfs/dbraw/zinc/27/06/93/388270693.db2.gz OWRKAFZWGXETHX-GFCCVEGCSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](C)[C@@H]1CO ZINC000491120193 388270722 /nfs/dbraw/zinc/27/07/22/388270722.db2.gz LPPSPCMHMDZZAY-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000491119922 388271019 /nfs/dbraw/zinc/27/10/19/388271019.db2.gz KTYZKHWIYLDRLV-VXGBXAGGSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000491126102 388271691 /nfs/dbraw/zinc/27/16/91/388271691.db2.gz KTAFTWLHVFOHJI-UHFFFAOYSA-N 1 0 246.376 0.612 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC12CCCC2 ZINC000451451947 388274852 /nfs/dbraw/zinc/27/48/52/388274852.db2.gz BYRYZOGSUPDGAP-SNVBAGLBSA-N 1 0 221.304 0.939 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](C)S[C@@H](C)C1 ZINC000491202224 388277485 /nfs/dbraw/zinc/27/74/85/388277485.db2.gz MURPBFWDNCVSRB-PHIMTYICSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CCCCO)C1CC1 ZINC000491202264 388277583 /nfs/dbraw/zinc/27/75/83/388277583.db2.gz NFFKDHNTOYPNHX-UHFFFAOYSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000491203641 388277588 /nfs/dbraw/zinc/27/75/88/388277588.db2.gz YEMJAGSWTZZCJP-NEPJUHHUSA-N 1 0 238.331 0.673 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000594401777 388353778 /nfs/dbraw/zinc/35/37/78/388353778.db2.gz HTXPIWRCCLQSTP-WVSHTKLVSA-N 1 0 246.314 0.956 20 30 BCEDRO C[NH2+]CCNC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594533410 388357507 /nfs/dbraw/zinc/35/75/07/388357507.db2.gz LYCBMVFEPGCTLP-UHFFFAOYSA-N 1 0 244.298 0.803 20 30 BCEDRO Cc1nc(C(=O)N2CC([NH+](C)C)C2)ccc1C#N ZINC000270850570 388368036 /nfs/dbraw/zinc/36/80/36/388368036.db2.gz PWYVEHLJXYPYJT-UHFFFAOYSA-N 1 0 244.298 0.648 20 30 BCEDRO N#C[C@H]1CC[C@@H](Nc2cc[nH+]cc2C(N)=O)C1 ZINC000572715516 388370073 /nfs/dbraw/zinc/37/00/73/388370073.db2.gz QJOYFULYEJHGPO-DTWKUNHWSA-N 1 0 230.271 0.707 20 30 BCEDRO CC#CCCNC(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000572733698 388371777 /nfs/dbraw/zinc/37/17/77/388371777.db2.gz JQPUIJFJFKLSNZ-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1cccnc1C#N ZINC000227935067 388373940 /nfs/dbraw/zinc/37/39/40/388373940.db2.gz IIBHZRCDZVUBSZ-GFCCVEGCSA-N 1 0 234.303 0.678 20 30 BCEDRO C[C@H]1OCC[C@@]1(O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000227975497 388375634 /nfs/dbraw/zinc/37/56/34/388375634.db2.gz GVWPRGZMNLXYBB-ZWNOBZJWSA-N 1 0 249.314 0.526 20 30 BCEDRO C[C@H](C#N)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000572778236 388375704 /nfs/dbraw/zinc/37/57/04/388375704.db2.gz BPYNJWAIKQEKTD-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1ncccc1C#N ZINC000133030320 388376060 /nfs/dbraw/zinc/37/60/60/388376060.db2.gz DQVSVIUVCMBVKW-GFCCVEGCSA-N 1 0 234.303 0.678 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)NCc1ccc(C#N)cc1 ZINC000595261766 388380021 /nfs/dbraw/zinc/38/00/21/388380021.db2.gz CVJIRDVFRPBESZ-JTQLQIEISA-N 1 0 246.314 0.965 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1c1cc(C#N)ncn1 ZINC000549253944 388381381 /nfs/dbraw/zinc/38/13/81/388381381.db2.gz KWBMGPKLZNTSQC-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000646610861 388394827 /nfs/dbraw/zinc/39/48/27/388394827.db2.gz UADWGXDMGDQVDF-UWVGGRQHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCOCCCC(=O)N(C)[C@H](C)C[NH3+] ZINC000237598084 388396678 /nfs/dbraw/zinc/39/66/78/388396678.db2.gz MYDYVJBTPLPRKB-SNVBAGLBSA-N 1 0 214.309 0.775 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000646642896 388399820 /nfs/dbraw/zinc/39/98/20/388399820.db2.gz PFZAVHVAEZPIOW-LBPRGKRZSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000646664543 388406867 /nfs/dbraw/zinc/40/68/67/388406867.db2.gz ULHOYWZPGUVVKA-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)COCCNC(=O)/C=C/C[NH+](C)C ZINC000492128012 388335923 /nfs/dbraw/zinc/33/59/23/388335923.db2.gz DPCZBUGTHVPSSS-AATRIKPKSA-N 1 0 226.320 0.813 20 30 BCEDRO C=CCOCC[NH2+][C@@H](COC)[C@H]1CCCO1 ZINC000339136974 388480330 /nfs/dbraw/zinc/48/03/30/388480330.db2.gz NVKGNIIVWNDKKN-NWDGAFQWSA-N 1 0 229.320 0.973 20 30 BCEDRO CCS(=O)(=O)N1CCC([NH2+]CCC#N)CC1 ZINC000515054899 256731230 /nfs/dbraw/zinc/73/12/30/256731230.db2.gz PZPQZMITBZYLKX-UHFFFAOYSA-N 1 0 245.348 0.304 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@@H+](C)Cc1ccccc1 ZINC000646739091 388449691 /nfs/dbraw/zinc/44/96/91/388449691.db2.gz JNHVBNNMTNMDCX-CYBMUJFWSA-N 1 0 248.326 0.782 20 30 BCEDRO C[NH+](C)CCNC(=O)c1sccc1C#N ZINC000130500092 388450776 /nfs/dbraw/zinc/45/07/76/388450776.db2.gz XLUGBHTZIOJCOX-UHFFFAOYSA-N 1 0 223.301 0.911 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@@H](C)[NH3+] ZINC000194945608 388457834 /nfs/dbraw/zinc/45/78/34/388457834.db2.gz BRJGOMYKWXWZSO-RKDXNWHRSA-N 1 0 200.282 0.431 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000336674179 388461276 /nfs/dbraw/zinc/46/12/76/388461276.db2.gz KBIYTXUCPNCIMO-WDEREUQCSA-N 1 0 247.360 0.338 20 30 BCEDRO Cn1ncc(C#N)c1N1CC[C@H](C[NH+](C)C)C1 ZINC000596190857 388408013 /nfs/dbraw/zinc/40/80/13/388408013.db2.gz ZEDFXANYMAPQEO-SNVBAGLBSA-N 1 0 233.319 0.680 20 30 BCEDRO C[C@@H]1CC[N@H+](CCNC(=O)CSCC#N)C1 ZINC000524776338 388408781 /nfs/dbraw/zinc/40/87/81/388408781.db2.gz UALAQNGXMBXNMO-SNVBAGLBSA-N 1 0 241.360 0.701 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000646678981 388413626 /nfs/dbraw/zinc/41/36/26/388413626.db2.gz MVSMOTQWNQHPSO-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000646690106 388418160 /nfs/dbraw/zinc/41/81/60/388418160.db2.gz KBMMUDGOJNLIRT-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000175244972 388428155 /nfs/dbraw/zinc/42/81/55/388428155.db2.gz LDINPFOLVOKYCI-SNVBAGLBSA-N 1 0 209.293 0.878 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000646774406 388496183 /nfs/dbraw/zinc/49/61/83/388496183.db2.gz FJKYTVKUHZDYBM-LBPRGKRZSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)CC(C)(CO)CO ZINC000135971336 388517418 /nfs/dbraw/zinc/51/74/18/388517418.db2.gz GBLHAVIHLIVHFO-LLVKDONJSA-N 1 0 231.336 0.236 20 30 BCEDRO CC[C@]1(O)CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528464237 388530201 /nfs/dbraw/zinc/53/02/01/388530201.db2.gz LCRGYSOTUXOOJI-AAEUAGOBSA-N 1 0 238.331 0.888 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCOCC1CC1 ZINC000088600308 388533141 /nfs/dbraw/zinc/53/31/41/388533141.db2.gz NYAMRDGLBQQMFI-NSHDSACASA-N 1 0 238.331 0.483 20 30 BCEDRO CC(C)COC[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000517025941 388533834 /nfs/dbraw/zinc/53/38/34/388533834.db2.gz UYTNWZGMUVUCGU-NSHDSACASA-N 1 0 226.320 0.913 20 30 BCEDRO CC(C)(C#N)CC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528599269 388550350 /nfs/dbraw/zinc/55/03/50/388550350.db2.gz PFQLAEAJMNPIAC-QWRGUYRKSA-N 1 0 226.320 0.459 20 30 BCEDRO CN(CC[NH3+])C(=O)Nc1ccc(C#N)cc1 ZINC000054417744 388594092 /nfs/dbraw/zinc/59/40/92/388594092.db2.gz KIBKCKQTRDCLEG-UHFFFAOYSA-N 1 0 218.260 0.981 20 30 BCEDRO C=CCNC(=O)CN1CCCC[C@@H]1C[NH3+] ZINC000044559138 135226399 /nfs/dbraw/zinc/22/63/99/135226399.db2.gz ZNDSEXWQOLYKEX-SNVBAGLBSA-N 1 0 211.309 0.102 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](CC)COC ZINC000328175306 388581403 /nfs/dbraw/zinc/58/14/03/388581403.db2.gz LQXYCQSHMWVEPA-GFCCVEGCSA-N 1 0 212.337 0.956 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](C)COCC ZINC000328180612 388581838 /nfs/dbraw/zinc/58/18/38/388581838.db2.gz NDBOOCSIDGFFGO-LBPRGKRZSA-N 1 0 212.337 0.956 20 30 BCEDRO CN(CC[N@H+](C)C1CC1)c1ccc(C#N)nn1 ZINC000302254899 388620343 /nfs/dbraw/zinc/62/03/43/388620343.db2.gz OBDOAEXVCQANSX-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000646845288 388624023 /nfs/dbraw/zinc/62/40/23/388624023.db2.gz BWSJOECCAKSYSF-NEPJUHHUSA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCCOCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000646847624 388624422 /nfs/dbraw/zinc/62/44/22/388624422.db2.gz BRFPNRQJSCNHGY-WDEREUQCSA-N 1 0 242.319 0.154 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000189284404 388628940 /nfs/dbraw/zinc/62/89/40/388628940.db2.gz SIURKLSFNPOYBO-WOPDTQHZSA-N 1 0 238.331 0.481 20 30 BCEDRO C=CCOC(=O)N1CC2(C1)CC[NH2+]CC2 ZINC000397006142 388629447 /nfs/dbraw/zinc/62/94/47/388629447.db2.gz SFRFZWUDCIIBIC-UHFFFAOYSA-N 1 0 210.277 0.994 20 30 BCEDRO C[C@H](CNC(=O)c1ccc(C#N)nc1)[NH+](C)C ZINC000359842711 388631260 /nfs/dbraw/zinc/63/12/60/388631260.db2.gz BXYJLKWDABEJRX-SECBINFHSA-N 1 0 232.287 0.633 20 30 BCEDRO C[N@H+](CCNC(=O)c1ccc(C#N)nc1)C1CC1 ZINC000359963545 388632535 /nfs/dbraw/zinc/63/25/35/388632535.db2.gz JXWQSOXPHYEHJQ-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C=CCCC[NH+]1CCN(C[C@H](C)O)CC1 ZINC000189424263 388632873 /nfs/dbraw/zinc/63/28/73/388632873.db2.gz OZLCJVZBLUHKHU-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C#CCN1CC[N@@H+](CC(C)(C)O)C[C@H]1C ZINC000189466273 388634300 /nfs/dbraw/zinc/63/43/00/388634300.db2.gz FCWUCGMJGBNZHW-LLVKDONJSA-N 1 0 210.321 0.397 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)COc1ccc(C#N)cc1 ZINC000514794860 388644311 /nfs/dbraw/zinc/64/43/11/388644311.db2.gz IONOKWUFMWGEAU-JTQLQIEISA-N 1 0 247.298 0.648 20 30 BCEDRO Cc1cc(NCC[NH+]2CCC2)c(C#N)cn1 ZINC000515834068 388651896 /nfs/dbraw/zinc/65/18/96/388651896.db2.gz NDQSJOTZCQFBJM-UHFFFAOYSA-N 1 0 216.288 0.801 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CCC[C@@](O)(CO)C2)c1 ZINC000313679162 388685656 /nfs/dbraw/zinc/68/56/56/388685656.db2.gz LWWQKOMLBIHIEK-AWEZNQCLSA-N 1 0 246.310 0.877 20 30 BCEDRO C[NH2+]CCCNC(=O)c1ccc(C#N)c(C)n1 ZINC000516874566 388659784 /nfs/dbraw/zinc/65/97/84/388659784.db2.gz QRWOBKFMMPVWLV-UHFFFAOYSA-N 1 0 232.287 0.601 20 30 BCEDRO Cc1nc(C(=O)NCCCC[NH3+])ccc1C#N ZINC000516977577 388660158 /nfs/dbraw/zinc/66/01/58/388660158.db2.gz MYMMWLKMUOYCHV-UHFFFAOYSA-N 1 0 232.287 0.730 20 30 BCEDRO C[C@H](C[NH3+])CNS(=O)(=O)c1ccc(C#N)o1 ZINC000517395655 388661016 /nfs/dbraw/zinc/66/10/16/388661016.db2.gz LZEXNSOBGABQGS-SSDOTTSWSA-N 1 0 243.288 0.024 20 30 BCEDRO N#Cc1ccc(CN2C[C@H](O)[C@H](CO)C2)s1 ZINC000517583403 388662234 /nfs/dbraw/zinc/66/22/34/388662234.db2.gz KUWOLNJOFCEACG-KWQFWETISA-N 1 0 238.312 0.405 20 30 BCEDRO CN(Cc1cc(C#N)n(C)c1)C[C@@H]1C[C@@H](O)C[NH2+]1 ZINC000328599004 388738820 /nfs/dbraw/zinc/73/88/20/388738820.db2.gz PRYZDWMWFQCHHB-WCQYABFASA-N 1 0 248.330 0.051 20 30 BCEDRO Cn1cc(C[NH2+][C@H](CO)[C@H]2CCCO2)cc1C#N ZINC000447969799 388740229 /nfs/dbraw/zinc/74/02/29/388740229.db2.gz YZFLZXGGKBMHDO-CHWSQXEVSA-N 1 0 249.314 0.526 20 30 BCEDRO CO[C@@H]1CN(Cc2cc(C#N)cs2)C[C@H]1O ZINC000449574830 388750814 /nfs/dbraw/zinc/75/08/14/388750814.db2.gz YXLSIGNUFDQXPA-GHMZBOCLSA-N 1 0 238.312 0.811 20 30 BCEDRO C=CC[N@H+](CCOC)CCN1CCO[C@@H](C)C1 ZINC000192846610 388687442 /nfs/dbraw/zinc/68/74/42/388687442.db2.gz CIVMSJMWBWNXFP-ZDUSSCGKSA-N 1 0 242.363 0.842 20 30 BCEDRO C[C@H](CO)[N@@H+](CCCCC#N)C[C@H](C)O ZINC000248946315 388700593 /nfs/dbraw/zinc/70/05/93/388700593.db2.gz OUEICUKSMSYEPH-MNOVXSKESA-N 1 0 214.309 0.744 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3cnc(C#N)cn3)C[C@H]21 ZINC000372189233 388701758 /nfs/dbraw/zinc/70/17/58/388701758.db2.gz WSBJPGCYIJHCDK-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO C=CCCCCC[NH+]1CCN(C(=O)CO)CC1 ZINC000193452540 388705106 /nfs/dbraw/zinc/70/51/06/388705106.db2.gz BGNUXVYGXKYSQA-UHFFFAOYSA-N 1 0 240.347 0.869 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000126919236 388709330 /nfs/dbraw/zinc/70/93/30/388709330.db2.gz PRBDEFYPNYNUEX-VIFPVBQESA-N 1 0 212.318 0.173 20 30 BCEDRO CC#CCN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000249479386 388722587 /nfs/dbraw/zinc/72/25/87/388722587.db2.gz AVODBDAZNCGABV-NEPJUHHUSA-N 1 0 210.321 0.397 20 30 BCEDRO CC[N@H+](C)CCNC(=O)CSCC#N ZINC000066958239 388724965 /nfs/dbraw/zinc/72/49/65/388724965.db2.gz FEGBYHBGOPAYQN-UHFFFAOYSA-N 1 0 215.322 0.311 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCCOC1 ZINC000252499687 388768829 /nfs/dbraw/zinc/76/88/29/388768829.db2.gz JBNNFSSINNHRPK-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C[N@H+](CCCO)C[C@H](O)c1ccc(C#N)cc1 ZINC000282024548 388812840 /nfs/dbraw/zinc/81/28/40/388812840.db2.gz YUILUODBHBWRDS-ZDUSSCGKSA-N 1 0 234.299 0.906 20 30 BCEDRO C[C@H](CNC(=O)c1ccnc(C#N)c1)[NH+](C)C ZINC000280105218 388778539 /nfs/dbraw/zinc/77/85/39/388778539.db2.gz BQALVJZEKDFZBQ-SECBINFHSA-N 1 0 232.287 0.633 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCOC1(C)C ZINC000294584588 135377682 /nfs/dbraw/zinc/37/76/82/135377682.db2.gz CMPWAIFZCMWVFW-SECBINFHSA-N 1 0 212.293 0.446 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000649179727 388893440 /nfs/dbraw/zinc/89/34/40/388893440.db2.gz SBIRVWXTDPRRHU-IJLUTSLNSA-N 1 0 238.331 0.217 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)C[N@@H+](C)CCC ZINC000649187337 388898834 /nfs/dbraw/zinc/89/88/34/388898834.db2.gz NZIVWISJUVDCOB-NSHDSACASA-N 1 0 226.320 0.219 20 30 BCEDRO CN1C(=O)C[C@H]([NH+]2CCC(CC#N)CC2)C1=O ZINC000541906117 388875187 /nfs/dbraw/zinc/87/51/87/388875187.db2.gz WZACNCZJJYYSJA-JTQLQIEISA-N 1 0 235.287 0.369 20 30 BCEDRO N#CCNC(=O)C[NH+]1C[C@H]2CCC[C@@H]2C1 ZINC000152994050 388913284 /nfs/dbraw/zinc/91/32/84/388913284.db2.gz OUJOTVIALIOEFU-NXEZZACHSA-N 1 0 207.277 0.358 20 30 BCEDRO C=CCCCCC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000565161969 388919136 /nfs/dbraw/zinc/91/91/36/388919136.db2.gz HHETYXCBALZDSA-LBPRGKRZSA-N 1 0 226.320 0.967 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@H](C[NH3+])C2)C1=O ZINC000565775735 388969128 /nfs/dbraw/zinc/96/91/28/388969128.db2.gz VZXSIWCLKXDKBQ-NEPJUHHUSA-N 1 0 237.347 0.444 20 30 BCEDRO CN1CCN(C)[C@H](c2noc(C(C)(C)C#N)n2)C1 ZINC000565512743 388950522 /nfs/dbraw/zinc/95/05/22/388950522.db2.gz LLXOIYCJRGGQIL-VIFPVBQESA-N 1 0 249.318 0.789 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)COc1ccccc1 ZINC000565598835 388957230 /nfs/dbraw/zinc/95/72/30/388957230.db2.gz ZGCREYOAJSXKLO-LBPRGKRZSA-N 1 0 235.283 0.012 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000565950502 388980226 /nfs/dbraw/zinc/98/02/26/388980226.db2.gz GCQSYAQYDBGZSL-AAEUAGOBSA-N 1 0 237.347 0.444 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CC[NH2+]CC[C@@H]2C)nn1 ZINC000566103823 388987291 /nfs/dbraw/zinc/98/72/91/388987291.db2.gz NCTPOOMRRODBHP-WCQYABFASA-N 1 0 249.362 0.942 20 30 BCEDRO CC(C)=CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000566123794 388989473 /nfs/dbraw/zinc/98/94/73/388989473.db2.gz DXQGOTIZDMQSHK-LBPRGKRZSA-N 1 0 225.336 0.749 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccn(C)c1 ZINC000272841641 389034686 /nfs/dbraw/zinc/03/46/86/389034686.db2.gz MYQCUIWBMFZWPT-UHFFFAOYSA-N 1 0 242.344 0.716 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cccn1C ZINC000272822622 389036064 /nfs/dbraw/zinc/03/60/64/389036064.db2.gz JGNOSDJFDDVCQC-UHFFFAOYSA-N 1 0 242.344 0.716 20 30 BCEDRO C#C[C@@H](CC)NC(=[NH2+])NC[C@H]1CCCO1 ZINC000262891798 533236328 /nfs/dbraw/zinc/23/63/28/533236328.db2.gz AGVSTZNJKKDWGW-VHSXEESVSA-N 1 0 209.293 0.482 20 30 BCEDRO C#C[C@H](NC(=[NH2+])N1CCO[C@@H](C)C1)C(C)C ZINC000262190703 533277862 /nfs/dbraw/zinc/27/78/62/533277862.db2.gz RDCFTNSALRLCNY-QWRGUYRKSA-N 1 0 223.320 0.680 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H]2CC[N@H+](C)[C@@H]2C1 ZINC000370443653 533290812 /nfs/dbraw/zinc/29/08/12/533290812.db2.gz DTMSEIWMLIVZKG-QJPTWQEYSA-N 1 0 235.331 0.744 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000370443654 533291058 /nfs/dbraw/zinc/29/10/58/533291058.db2.gz DTMSEIWMLIVZKG-SDDRHHMPSA-N 1 0 235.331 0.744 20 30 BCEDRO C#C[C@H](CC)NC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262496219 533298821 /nfs/dbraw/zinc/29/88/21/533298821.db2.gz WMICHIMIBTYYLH-VHSXEESVSA-N 1 0 209.293 0.434 20 30 BCEDRO C[C@H](O)C[NH+]1CCN(c2cc(C#N)ccn2)CC1 ZINC000282092908 132211983 /nfs/dbraw/zinc/21/19/83/132211983.db2.gz VKIJYJRVWXMNOV-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO N#Cc1cccc(N2CC[NH+](CCCO)CC2)n1 ZINC000301817462 132258097 /nfs/dbraw/zinc/25/80/97/132258097.db2.gz FFVBUQYNHYRLER-UHFFFAOYSA-N 1 0 246.314 0.458 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[N@@H+]3CCC[C@H]3C2)n1 ZINC000300426630 132285462 /nfs/dbraw/zinc/28/54/62/132285462.db2.gz AKHOBSUPKSUUJY-LBPRGKRZSA-N 1 0 243.314 0.941 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CCC[N@@H+](CC)CC1 ZINC000158230311 133499599 /nfs/dbraw/zinc/49/95/99/133499599.db2.gz BAPIVONNSBIEMH-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCCC[NH+]1CCC(CC(N)=O)CC1 ZINC000161097945 133512003 /nfs/dbraw/zinc/51/20/03/133512003.db2.gz LVSNBLJPCKZIAV-UHFFFAOYSA-N 1 0 208.305 0.987 20 30 BCEDRO NC(=[NH2+])NC[C@@H](O)CCc1ccccc1 ZINC000273339642 133545405 /nfs/dbraw/zinc/54/54/05/133545405.db2.gz MKHLBDSUJTWKMY-JTQLQIEISA-N 1 0 207.277 0.254 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000335136383 133797087 /nfs/dbraw/zinc/79/70/87/133797087.db2.gz AFKCULNYJYVEPG-NEPJUHHUSA-N 1 0 235.331 0.936 20 30 BCEDRO CC#CCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000335138891 133797635 /nfs/dbraw/zinc/79/76/35/133797635.db2.gz NLNOEBIQOVQFHJ-SNVBAGLBSA-N 1 0 209.293 0.533 20 30 BCEDRO N#CCCCC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347287805 133819399 /nfs/dbraw/zinc/81/93/99/133819399.db2.gz JWXRAZVCVXSZQT-GHMZBOCLSA-N 1 0 212.293 0.498 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000331756534 134001714 /nfs/dbraw/zinc/00/17/14/134001714.db2.gz IXBNZZCHENLEMA-BBBLOLIVSA-N 1 0 221.304 0.887 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000331770391 134002013 /nfs/dbraw/zinc/00/20/13/134002013.db2.gz MWYWQWPLJKSIDW-YWVKMMECSA-N 1 0 221.304 0.745 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)CC1(C#N)CC1 ZINC000331792090 134002453 /nfs/dbraw/zinc/00/24/53/134002453.db2.gz VHJMKSPRRUXDGM-VIFPVBQESA-N 1 0 209.293 0.604 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CCOC[C@@H](C)C2)C1=O ZINC000335920506 134007043 /nfs/dbraw/zinc/00/70/43/134007043.db2.gz MMQDUHXHWAFRKK-RYUDHWBXSA-N 1 0 238.331 0.742 20 30 BCEDRO CCN1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CC1=O ZINC000332734774 134011804 /nfs/dbraw/zinc/01/18/04/134011804.db2.gz VMOBGYMKJUEILB-HBNTYKKESA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@H]1CCSCC[N@@H+]1CC(=O)NCC#N ZINC000335937747 134013361 /nfs/dbraw/zinc/01/33/61/134013361.db2.gz KBMSZTIUSNLCMB-VIFPVBQESA-N 1 0 227.333 0.454 20 30 BCEDRO C=C(C)C[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000335942874 134018491 /nfs/dbraw/zinc/01/84/91/134018491.db2.gz UJNLZWFOJIKXHL-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCCC(=O)NC[C@@](C)(O)CC[NH+](C)C ZINC000352112181 134068465 /nfs/dbraw/zinc/06/84/65/134068465.db2.gz QXBCPGXPUXTTEW-LBPRGKRZSA-N 1 0 228.336 0.772 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000333561874 134118163 /nfs/dbraw/zinc/11/81/63/134118163.db2.gz LBVBXSJFSKCCCO-AXFHLTTASA-N 1 0 236.319 0.730 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000333567512 134118372 /nfs/dbraw/zinc/11/83/72/134118372.db2.gz LZKPAFMFCVEJRN-QCNOEVLYSA-N 1 0 248.330 0.682 20 30 BCEDRO C[C@H]1C[C@]1(C#N)C(=O)N1CC([NH+](C)C)C1 ZINC000336203255 134131214 /nfs/dbraw/zinc/13/12/14/134131214.db2.gz PMKPHZNYOSYISR-GZMMTYOYSA-N 1 0 207.277 0.309 20 30 BCEDRO C[C@H]1C(=O)NCCCN1CC1(C#N)CCC1 ZINC000336272817 134142084 /nfs/dbraw/zinc/14/20/84/134142084.db2.gz BRSUVZIRLJOJDX-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO CS[C@H]1CN(C(=O)CC#N)C[C@H]1[NH+](C)C ZINC000336310944 134142921 /nfs/dbraw/zinc/14/29/21/134142921.db2.gz KOPONDCYXMHSNN-BDAKNGLRSA-N 1 0 227.333 0.404 20 30 BCEDRO CC#CCCNC(=O)N1CCC[N@H+](C)CC1 ZINC000336310959 134143073 /nfs/dbraw/zinc/14/30/73/134143073.db2.gz OVUJZSPYENFPSK-UHFFFAOYSA-N 1 0 223.320 0.747 20 30 BCEDRO CC#CCN1CCO[C@@]2(CCO[C@H]2C)C1 ZINC000336347345 134144307 /nfs/dbraw/zinc/14/43/07/134144307.db2.gz LLAMKPMVQNQTQZ-RYUDHWBXSA-N 1 0 209.289 0.890 20 30 BCEDRO CCNC(=O)CC[NH+]1CCC(F)(C#N)CC1 ZINC000352468653 134146275 /nfs/dbraw/zinc/14/62/75/134146275.db2.gz UHKOQHKLSVMFDY-UHFFFAOYSA-N 1 0 227.283 0.840 20 30 BCEDRO C[C@@H]1CC[N@H+](C)CCN1C(=O)CSCC#N ZINC000336520192 134149032 /nfs/dbraw/zinc/14/90/32/134149032.db2.gz IYZZMMIMMIQBPP-SNVBAGLBSA-N 1 0 241.360 0.796 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCc2ccnn2C)C1 ZINC000104171983 134159282 /nfs/dbraw/zinc/15/92/82/134159282.db2.gz BHAYJFZHOLKZRC-JTQLQIEISA-N 1 0 235.335 0.967 20 30 BCEDRO C=CCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000353187098 134162312 /nfs/dbraw/zinc/16/23/12/134162312.db2.gz ZMCWDUGALRIRJH-UHFFFAOYSA-N 1 0 209.293 0.734 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000353367218 134163396 /nfs/dbraw/zinc/16/33/96/134163396.db2.gz CSMLGXFJQKHOSE-GHMZBOCLSA-N 1 0 224.304 0.257 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000353570458 134164298 /nfs/dbraw/zinc/16/42/98/134164298.db2.gz SVQZHBBECYRCLP-SNVBAGLBSA-N 1 0 241.335 0.269 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000353562554 134164366 /nfs/dbraw/zinc/16/43/66/134164366.db2.gz BEJOVQFCQIZIMP-SNVBAGLBSA-N 1 0 248.282 0.654 20 30 BCEDRO C[C@@H](C#N)NC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000353877581 134165443 /nfs/dbraw/zinc/16/54/43/134165443.db2.gz VPLLEVIEUBSFCT-GXSJLCMTSA-N 1 0 221.304 0.889 20 30 BCEDRO C=CCNC(=O)C[NH2+]CCC(C)(C)C(=O)OC ZINC000354540880 134168867 /nfs/dbraw/zinc/16/88/67/134168867.db2.gz BLLDXMNBYITPCW-UHFFFAOYSA-N 1 0 242.319 0.468 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)NCC(C)(C)C#N ZINC000355082418 134171801 /nfs/dbraw/zinc/17/18/01/134171801.db2.gz MGVJQRWOVUQONE-VIFPVBQESA-N 1 0 226.324 0.785 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000355508275 134173580 /nfs/dbraw/zinc/17/35/80/134173580.db2.gz KQKCZGRWCWTWID-LOWVWBTDSA-N 1 0 240.347 0.865 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000357158986 134182174 /nfs/dbraw/zinc/18/21/74/134182174.db2.gz JEKCSQAWWCKULG-SNVBAGLBSA-N 1 0 234.365 0.822 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCN(C(C)=O)C[C@@H]1C ZINC000357309352 134182760 /nfs/dbraw/zinc/18/27/60/134182760.db2.gz TYRMDTXNWUVLKA-AAEUAGOBSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000357421623 134183135 /nfs/dbraw/zinc/18/31/35/134183135.db2.gz NMZCOXATLGXWFK-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000360207898 134198919 /nfs/dbraw/zinc/19/89/19/134198919.db2.gz SJHRTTPTAXNKOD-SNVBAGLBSA-N 1 0 234.365 0.822 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000360214211 134199481 /nfs/dbraw/zinc/19/94/81/134199481.db2.gz ADMAUGNNDKZIOM-GHMZBOCLSA-N 1 0 246.376 0.965 20 30 BCEDRO CC#CCCNC(=O)NC1CC[NH+](C)CC1 ZINC000361221399 134203961 /nfs/dbraw/zinc/20/39/61/134203961.db2.gz SKTNNFQFYZBDKE-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000361637395 134206666 /nfs/dbraw/zinc/20/66/66/134206666.db2.gz WYDPZNHEFVBTMP-QWRGUYRKSA-N 1 0 221.304 0.546 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@](C)(O)C(=O)OCC ZINC000361996201 134208496 /nfs/dbraw/zinc/20/84/96/134208496.db2.gz KRYIERUUBOKJMQ-GFCCVEGCSA-N 1 0 245.319 0.435 20 30 BCEDRO C=C[C@H](C)NC(=O)NCC[N@@H+](C)CCCOC ZINC000362380324 134210532 /nfs/dbraw/zinc/21/05/32/134210532.db2.gz POLHCUSFKHOSDC-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N(CCC#N)CCC#N ZINC000362605923 134212747 /nfs/dbraw/zinc/21/27/47/134212747.db2.gz JPJGXYFTKNUCSV-RYUDHWBXSA-N 1 0 248.330 0.840 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C#N)CC1 ZINC000362661823 134213529 /nfs/dbraw/zinc/21/35/29/134213529.db2.gz GLHQJOICRBNPDN-JQWIXIFHSA-N 1 0 235.331 0.946 20 30 BCEDRO C[C@H](C#N)NC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000363170382 134215284 /nfs/dbraw/zinc/21/52/84/134215284.db2.gz HHKFGVRGSHVVHH-MXWKQRLJSA-N 1 0 221.304 0.889 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000368204276 134217645 /nfs/dbraw/zinc/21/76/45/134217645.db2.gz UJXPKZJVVQISIT-DCAQKATOSA-N 1 0 244.310 0.784 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2CCOC(=O)[C@@H]21 ZINC000368376488 134218294 /nfs/dbraw/zinc/21/82/94/134218294.db2.gz FHGTVXLDWCJWLY-GRYCIOLGSA-N 1 0 239.315 0.951 20 30 BCEDRO C=C(Cl)CNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000368454866 134218770 /nfs/dbraw/zinc/21/87/70/134218770.db2.gz WIVCXXYRFCLBEZ-NSHDSACASA-N 1 0 246.738 0.871 20 30 BCEDRO CC#CCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000368975510 134221047 /nfs/dbraw/zinc/22/10/47/134221047.db2.gz VZFVUWYRYSCXSK-SRVKXCTJSA-N 1 0 220.316 0.986 20 30 BCEDRO C=CCCC(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000368957509 134221113 /nfs/dbraw/zinc/22/11/13/134221113.db2.gz CLAQSKUJYZGHKX-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C#CCN1CC[NH+](C2(C(N)=O)CCCCC2)CC1 ZINC000369325714 134222289 /nfs/dbraw/zinc/22/22/89/134222289.db2.gz YPVAUMVUVWYMPY-UHFFFAOYSA-N 1 0 249.358 0.425 20 30 BCEDRO CC[N@H+](CCO)[C@H](C)C(=O)N(C)CCC#N ZINC000120017925 134227145 /nfs/dbraw/zinc/22/71/45/134227145.db2.gz UNAHVRAVSIIBDW-SNVBAGLBSA-N 1 0 227.308 0.061 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC000371097925 134227229 /nfs/dbraw/zinc/22/72/29/134227229.db2.gz DQDMPAJRBDKFQP-GHMZBOCLSA-N 1 0 224.304 0.093 20 30 BCEDRO C=CCCC[N@@H+](C)CC(=O)NC(=O)NC1CC1 ZINC000121070214 134231180 /nfs/dbraw/zinc/23/11/80/134231180.db2.gz KULQIZZHLRJATP-UHFFFAOYSA-N 1 0 239.319 0.873 20 30 BCEDRO NC(=[NH2+])NCc1cnn(Cc2ccccc2)c1 ZINC000303267025 134233061 /nfs/dbraw/zinc/23/30/61/134233061.db2.gz WPYNOUNSRFPYJE-UHFFFAOYSA-N 1 0 229.287 0.705 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000303385322 134233442 /nfs/dbraw/zinc/23/34/42/134233442.db2.gz VJGLBQOXKLVFOJ-UWVGGRQHSA-N 1 0 228.340 0.020 20 30 BCEDRO N#CCCC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000374175367 134236059 /nfs/dbraw/zinc/23/60/59/134236059.db2.gz SQENLPZGSSKKTM-ZJUUUORDSA-N 1 0 223.276 0.720 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(c2c[nH]cn2)CC1 ZINC000374207258 134236388 /nfs/dbraw/zinc/23/63/88/134236388.db2.gz IHSDXWABBVDTIW-UHFFFAOYSA-N 1 0 248.330 0.891 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000374396406 134236967 /nfs/dbraw/zinc/23/69/67/134236967.db2.gz YFGFUKJFOXRVCN-RYUDHWBXSA-N 1 0 238.331 0.647 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@@H](CO)C1 ZINC000304385283 134237520 /nfs/dbraw/zinc/23/75/20/134237520.db2.gz KNGRNTIZHJIIHW-SNVBAGLBSA-N 1 0 214.334 0.947 20 30 BCEDRO CNC(=[NH2+])NC[C@H]1CC(=O)Nc2ccccc21 ZINC000304809032 134238850 /nfs/dbraw/zinc/23/88/50/134238850.db2.gz VEBMSAMXKSVYJQ-MRVPVSSYSA-N 1 0 232.287 0.647 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000305071589 134239471 /nfs/dbraw/zinc/23/94/71/134239471.db2.gz JLVZIWOIGKEOEV-VXGBXAGGSA-N 1 0 240.347 0.901 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000305783352 134242662 /nfs/dbraw/zinc/24/26/62/134242662.db2.gz WDYSKKSUPRRCCX-GFCCVEGCSA-N 1 0 247.298 0.339 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2CCCC[C@H]21 ZINC000377724719 134244702 /nfs/dbraw/zinc/24/47/02/134244702.db2.gz PJVAXLQJIWFBJU-QJPTWQEYSA-N 1 0 220.316 0.999 20 30 BCEDRO C[C@H](CNS(=O)(=O)[C@@H](C)C#N)[N@H+](C)C1CC1 ZINC000218109032 134251350 /nfs/dbraw/zinc/25/13/50/134251350.db2.gz PQBFFZGQIWYNRO-BDAKNGLRSA-N 1 0 245.348 0.301 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000218109109 134251353 /nfs/dbraw/zinc/25/13/53/134251353.db2.gz PQBFFZGQIWYNRO-RKDXNWHRSA-N 1 0 245.348 0.301 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ccnc(-n2cccn2)c1 ZINC000170911624 134255680 /nfs/dbraw/zinc/25/56/80/134255680.db2.gz DRNXNYQENKVAOF-UHFFFAOYSA-N 1 0 244.302 0.644 20 30 BCEDRO [NH2+]=C(NCCC1CC1)NC[C@H]1CCCO1 ZINC000172839274 134269868 /nfs/dbraw/zinc/26/98/68/134269868.db2.gz FJGKCWSMWYHTOG-SNVBAGLBSA-N 1 0 211.309 0.870 20 30 BCEDRO CCNC(=O)CN(CCC#N)CC1CC1 ZINC000177030873 134293591 /nfs/dbraw/zinc/29/35/91/134293591.db2.gz URNGSSDKWCRXBH-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)C[C@H](C#N)CCC#N ZINC000177043176 134294344 /nfs/dbraw/zinc/29/43/44/134294344.db2.gz VHSCISIHHAFASY-MNOVXSKESA-N 1 0 236.319 0.744 20 30 BCEDRO C[C@H]([N@H+](C)CC(=O)NCC#N)C1(C)CC1 ZINC000177253731 134296645 /nfs/dbraw/zinc/29/66/45/134296645.db2.gz KXGDTUUHSUEFKH-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000177970546 134302355 /nfs/dbraw/zinc/30/23/55/134302355.db2.gz OSTPBWABGAPWBN-GFCCVEGCSA-N 1 0 239.319 0.205 20 30 BCEDRO C=C(C)C[N@H+](C)CCC(=O)N1CCOCC1 ZINC000181320208 134335600 /nfs/dbraw/zinc/33/56/00/134335600.db2.gz HSXRGMNSOPXLQT-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=C(C)C[N@@H+](C)CCNS(=O)(=O)CC ZINC000181333370 134335965 /nfs/dbraw/zinc/33/59/65/134335965.db2.gz UEEDIJSIEOAGJD-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CCO)C(C)(C)C ZINC000181479504 134337222 /nfs/dbraw/zinc/33/72/22/134337222.db2.gz JZNGHGJBQCMBSU-JTQLQIEISA-N 1 0 228.336 0.675 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cnn(CC)c1 ZINC000184264682 134361448 /nfs/dbraw/zinc/36/14/48/134361448.db2.gz YFQZDNBXAVTWRJ-LLVKDONJSA-N 1 0 209.293 0.930 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000184278144 134361755 /nfs/dbraw/zinc/36/17/55/134361755.db2.gz PELDNORFMDGFHD-SECBINFHSA-N 1 0 240.328 0.874 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000408124312 134397577 /nfs/dbraw/zinc/39/75/77/134397577.db2.gz ONPAFOQKFZJBRW-UHFFFAOYSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCCO[C@H]2CCC[C@H]21 ZINC000363412592 134398680 /nfs/dbraw/zinc/39/86/80/134398680.db2.gz QXKIVACJRFBVPA-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO Cc1cc(C#N)nc(N(C)CC[NH+](C)C)n1 ZINC000231901738 134547074 /nfs/dbraw/zinc/54/70/74/134547074.db2.gz HQBKSFFNFUAEFV-UHFFFAOYSA-N 1 0 219.292 0.655 20 30 BCEDRO CN(CC[NH+]1CCCC1)c1nccc(C#N)n1 ZINC000231901311 134547183 /nfs/dbraw/zinc/54/71/83/134547183.db2.gz HIFFOPDETMSTCH-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C=CCN(CC=C)C(=O)C[C@H](C[NH3+])OC ZINC000232111577 134548437 /nfs/dbraw/zinc/54/84/37/134548437.db2.gz ARSQYIQCASANAV-SNVBAGLBSA-N 1 0 212.293 0.551 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1CCO ZINC000336695482 134604247 /nfs/dbraw/zinc/60/42/47/134604247.db2.gz YXBYOBRZAGSYHK-WDEREUQCSA-N 1 0 226.320 0.429 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CCn2cncn2)C1 ZINC000336725317 134604671 /nfs/dbraw/zinc/60/46/71/134604671.db2.gz GDZJGUBPYVCYRK-UWVGGRQHSA-N 1 0 205.265 0.560 20 30 BCEDRO C/[NH+]=C(\N(C)C)N1CCS(=O)(=O)C(C)(C)C1 ZINC000158597725 134740957 /nfs/dbraw/zinc/74/09/57/134740957.db2.gz PWDVZFZZHLEJCU-PKNBQFBNSA-N 1 0 247.364 0.043 20 30 BCEDRO C=CCCS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000237122163 134844049 /nfs/dbraw/zinc/84/40/49/134844049.db2.gz VRVOZBFHHIXGQH-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCc1nccs1 ZINC000170909312 134879521 /nfs/dbraw/zinc/87/95/21/134879521.db2.gz CIMPLZKYUXSXHR-MRVPVSSYSA-N 1 0 242.348 0.625 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](O)[C@H]2CCOC2)C1 ZINC000336690410 134902646 /nfs/dbraw/zinc/90/26/46/134902646.db2.gz WEMQHEDLQACDJT-RHYQMDGZSA-N 1 0 224.304 0.666 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCOCCO)C1 ZINC000336728316 134914080 /nfs/dbraw/zinc/91/40/80/134914080.db2.gz IBBVXURHRUSPQY-GHMZBOCLSA-N 1 0 212.293 0.667 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCOCCO)C1 ZINC000336728334 134914087 /nfs/dbraw/zinc/91/40/87/134914087.db2.gz IBBVXURHRUSPQY-MNOVXSKESA-N 1 0 212.293 0.667 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H](C)[C@H](O)C2)C1=O ZINC000337177530 135002483 /nfs/dbraw/zinc/00/24/83/135002483.db2.gz JRQNRDRNASZXJT-GARJFASQSA-N 1 0 224.304 0.086 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCCC[C@H]2CO)C1=O ZINC000337146051 135002530 /nfs/dbraw/zinc/00/25/30/135002530.db2.gz XZEKGVFEHAIWLI-NWDGAFQWSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@H](O)[C@@H](CC)C2)C1=O ZINC000337174957 135002932 /nfs/dbraw/zinc/00/29/32/135002932.db2.gz HMUVKFROEGJQMQ-SRVKXCTJSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H](CCO)C(C)C)C1=O ZINC000337212990 135005644 /nfs/dbraw/zinc/00/56/44/135005644.db2.gz WADRECBFYZZZDM-RYUDHWBXSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@]2(C)CCO[C@@H]2C)C1=O ZINC000337213169 135005735 /nfs/dbraw/zinc/00/57/35/135005735.db2.gz WDLPEFIKVYDWPD-MDZLAQPJSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H](C)[C@@H]2CCOC2)C1=O ZINC000337210236 135007204 /nfs/dbraw/zinc/00/72/04/135007204.db2.gz TUNGRGLSDUMPLM-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@H](CO)[C@H](C)C2)C1=O ZINC000337247864 135007940 /nfs/dbraw/zinc/00/79/40/135007940.db2.gz PFQAPCQZYWHJGY-UTUOFQBUSA-N 1 0 238.331 0.334 20 30 BCEDRO C=CCSCCNC(=O)NCC[NH+]1CCC1 ZINC000337431223 135015627 /nfs/dbraw/zinc/01/56/27/135015627.db2.gz UZGUWRMYGBKPLS-UHFFFAOYSA-N 1 0 243.376 0.911 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000337463089 135016670 /nfs/dbraw/zinc/01/66/70/135016670.db2.gz QSHDWGPTEYVRDE-NSHDSACASA-N 1 0 247.360 0.698 20 30 BCEDRO N#CCCCCNC(=O)NCC[NH+]1CCC1 ZINC000337733375 135021784 /nfs/dbraw/zinc/02/17/84/135021784.db2.gz YVLHUQCLIPDWAL-UHFFFAOYSA-N 1 0 224.308 0.685 20 30 BCEDRO CC[C@H](C(=O)N(C)C[C@H](C)C#N)[NH+](C)C ZINC000338200883 135030600 /nfs/dbraw/zinc/03/06/00/135030600.db2.gz DTOBXJJWCSHYQV-NXEZZACHSA-N 1 0 211.309 0.945 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)NCC1(CC#N)CC1 ZINC000331787648 135034052 /nfs/dbraw/zinc/03/40/52/135034052.db2.gz UKJSLGZZJZBRDS-UHFFFAOYSA-N 1 0 238.335 0.883 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000338569991 135040488 /nfs/dbraw/zinc/04/04/88/135040488.db2.gz XZJRDSDAQCFOPC-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C[C@H]1CC[N@H+](CCCC#N)[C@@H](C(N)=O)C1 ZINC000249549245 135040543 /nfs/dbraw/zinc/04/05/43/135040543.db2.gz HGVJOIIBBRMJSW-VHSXEESVSA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@@H]1CC[N@H+](CCCC#N)[C@@H](C(N)=O)C1 ZINC000249549243 135041172 /nfs/dbraw/zinc/04/11/72/135041172.db2.gz HGVJOIIBBRMJSW-NXEZZACHSA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@](F)(CO)C1 ZINC000338586966 135041852 /nfs/dbraw/zinc/04/18/52/135041852.db2.gz KSQWGVJNFNMBAP-GHMZBOCLSA-N 1 0 217.284 0.720 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000339056459 135054345 /nfs/dbraw/zinc/05/43/45/135054345.db2.gz LRGRVCPCQQPIKL-LBPRGKRZSA-N 1 0 238.331 0.886 20 30 BCEDRO COC(=O)[C@@]1(C)CC[N@H+](CCOCCC#N)C1 ZINC000339018845 135054653 /nfs/dbraw/zinc/05/46/53/135054653.db2.gz IUNCRDGYVXVPQT-LBPRGKRZSA-N 1 0 240.303 0.802 20 30 BCEDRO C[C@@H]1[C@H](C)N(CCOCCC#N)CC[N@H+]1C ZINC000339064451 135055585 /nfs/dbraw/zinc/05/55/85/135055585.db2.gz GGZKEWZNTSHVNU-NEPJUHHUSA-N 1 0 225.336 0.941 20 30 BCEDRO C[C@@H]1CC[N@H+](CCOCCC#N)[C@@H](C(N)=O)C1 ZINC000339100194 135060280 /nfs/dbraw/zinc/06/02/80/135060280.db2.gz VUTZMDRJODHMHR-GHMZBOCLSA-N 1 0 239.319 0.502 20 30 BCEDRO C=CCOCC[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000339134070 135061804 /nfs/dbraw/zinc/06/18/04/135061804.db2.gz NIKUVVPIDDUJBI-GHMZBOCLSA-N 1 0 215.293 0.535 20 30 BCEDRO C=CCOCC[N@@H+]1CCC[C@@H]2C(=O)NC[C@H]21 ZINC000339155624 135062647 /nfs/dbraw/zinc/06/26/47/135062647.db2.gz OFFMXPDFPFEOSW-WDEREUQCSA-N 1 0 224.304 0.399 20 30 BCEDRO CC[N@@H+]1CCN(CCOCCC#N)[C@H](C)C1 ZINC000339192767 135064918 /nfs/dbraw/zinc/06/49/18/135064918.db2.gz WURMNQIMLCENCQ-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CCNC(=O)CN1C[C@H](C)[NH+](C)[C@@H](C)C1 ZINC000339623186 135076730 /nfs/dbraw/zinc/07/67/30/135076730.db2.gz SAADAYNICWRUMK-QWRGUYRKSA-N 1 0 225.336 0.313 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)CCCCC#N ZINC000308519533 135078710 /nfs/dbraw/zinc/07/87/10/135078710.db2.gz WZPXWPYODNPRFA-JTQLQIEISA-N 1 0 200.282 0.355 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000086500328 135088348 /nfs/dbraw/zinc/08/83/48/135088348.db2.gz UWBNQHSUCCNZLZ-VIFPVBQESA-N 1 0 226.301 0.717 20 30 BCEDRO C=C(C)CN1CC[NH+]([C@H]2CCOC2)CC1 ZINC000366540292 135088419 /nfs/dbraw/zinc/08/84/19/135088419.db2.gz WJLNTOPRCJPHBM-LBPRGKRZSA-N 1 0 210.321 0.969 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1cc(C#N)cs1 ZINC000086500327 135088860 /nfs/dbraw/zinc/08/88/60/135088860.db2.gz UWBNQHSUCCNZLZ-SECBINFHSA-N 1 0 226.301 0.717 20 30 BCEDRO [NH2+]=C(NCc1nnc2n1CCCCC2)NC1CC1 ZINC000261778827 135110699 /nfs/dbraw/zinc/11/06/99/135110699.db2.gz NTSNNSDSVKCPHT-UHFFFAOYSA-N 1 0 248.334 0.571 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ncnn1C(C)(C)C ZINC000261611888 135111444 /nfs/dbraw/zinc/11/14/44/135111444.db2.gz AVNMDDJVPZBWHC-UHFFFAOYSA-N 1 0 236.323 0.623 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1ccnn1C ZINC000261689633 135111475 /nfs/dbraw/zinc/11/14/75/135111475.db2.gz BDAGWMSVSFJVRG-QMMMGPOBSA-N 1 0 209.297 0.623 20 30 BCEDRO CC(C)(C)n1ncnc1CNC(=[NH2+])NC1CC1 ZINC000261859175 135112314 /nfs/dbraw/zinc/11/23/14/135112314.db2.gz RBZQFICUXPWDFH-UHFFFAOYSA-N 1 0 236.323 0.600 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CC=CCC1)N1CCOCC1 ZINC000261990963 135113150 /nfs/dbraw/zinc/11/31/50/135113150.db2.gz LZOVXNARZFNODO-LLVKDONJSA-N 1 0 223.320 0.990 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000252867100 135113690 /nfs/dbraw/zinc/11/36/90/135113690.db2.gz MUCFKBMLKPZQMY-FIQHERPVSA-N 1 0 238.331 0.380 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000252867098 135113982 /nfs/dbraw/zinc/11/39/82/135113982.db2.gz MUCFKBMLKPZQMY-BJDJZHNGSA-N 1 0 238.331 0.380 20 30 BCEDRO C[NH+]=C(NCCc1nc(C)no1)NC1CC1 ZINC000262078577 135114388 /nfs/dbraw/zinc/11/43/88/135114388.db2.gz DPRZMMQLPIPFSA-UHFFFAOYSA-N 1 0 223.280 0.248 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1nncn1CC ZINC000262012597 135114544 /nfs/dbraw/zinc/11/45/44/135114544.db2.gz WYCQEWVBQJWYKR-MRVPVSSYSA-N 1 0 224.312 0.501 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CCO[C@@H](C)C1 ZINC000262015118 135114676 /nfs/dbraw/zinc/11/46/76/135114676.db2.gz VRPVCMDBOWNSTP-UWVGGRQHSA-N 1 0 211.309 0.892 20 30 BCEDRO C=CCNC(NCc1nnc(C)n1C)=[NH+]C1CC1 ZINC000262014444 135114685 /nfs/dbraw/zinc/11/46/85/135114685.db2.gz XKBSXUMSAZBQEC-UHFFFAOYSA-N 1 0 248.334 0.507 20 30 BCEDRO C=CCNC(=[NH+]C)N1CC[C@H](COC)C1 ZINC000262499892 135118694 /nfs/dbraw/zinc/11/86/94/135118694.db2.gz XYBWHSVDWJHLDS-JTQLQIEISA-N 1 0 211.309 0.716 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1(S(C)(=O)=O)CC1 ZINC000262440461 135119022 /nfs/dbraw/zinc/11/90/22/135119022.db2.gz HNLJPWPWTRVCSF-UHFFFAOYSA-N 1 0 245.348 0.044 20 30 BCEDRO C=CCNC(NC[C@@]1(O)CCSC1)=[NH+]C ZINC000262420321 135119043 /nfs/dbraw/zinc/11/90/43/135119043.db2.gz QWBRURBDDHIOOE-JTQLQIEISA-N 1 0 229.349 0.205 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000262509114 135119063 /nfs/dbraw/zinc/11/90/63/135119063.db2.gz LUWNKJHTZBPMDI-SSDOTTSWSA-N 1 0 238.291 0.581 20 30 BCEDRO C=CCNC(NC[C@]1(O)CCSC1)=[NH+]C ZINC000262420322 135119094 /nfs/dbraw/zinc/11/90/94/135119094.db2.gz QWBRURBDDHIOOE-SNVBAGLBSA-N 1 0 229.349 0.205 20 30 BCEDRO COc1cccc([C@H](O)CNC2=[NH+]C[C@@H](C)N2)c1 ZINC000262420305 135119111 /nfs/dbraw/zinc/11/91/11/135119111.db2.gz BCVCRVXWPNBEKP-BXKDBHETSA-N 1 0 249.314 0.666 20 30 BCEDRO Cc1nc(C[NH+]=C(N(C)C)N(C)C)no1 ZINC000262553717 135119715 /nfs/dbraw/zinc/11/97/15/135119715.db2.gz ZYYLQGRAVGJWCF-UHFFFAOYSA-N 1 0 211.269 0.357 20 30 BCEDRO C=C(Cl)CNC(NC[C@H]1CCOC1)=[NH+]C ZINC000262551666 135119810 /nfs/dbraw/zinc/11/98/10/135119810.db2.gz TYZHZGYZGRZUDL-SECBINFHSA-N 1 0 231.727 0.940 20 30 BCEDRO Cc1cccc(CCNC2=[NH+]CCN2C)n1 ZINC000262658596 135120314 /nfs/dbraw/zinc/12/03/14/135120314.db2.gz MIBVRUNFQJKCRZ-UHFFFAOYSA-N 1 0 218.304 0.824 20 30 BCEDRO CCc1nc(CCNC2=[NH+]C[C@H](C)N2)no1 ZINC000262657113 135120318 /nfs/dbraw/zinc/12/03/18/135120318.db2.gz LWTYQDWAKMDLOC-ZETCQYMHSA-N 1 0 223.280 0.112 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2cccc(O)c2)N1 ZINC000262645433 135120344 /nfs/dbraw/zinc/12/03/44/135120344.db2.gz IYXJWFIVILSXQG-SECBINFHSA-N 1 0 219.288 0.872 20 30 BCEDRO C[C@H]1C[NH+]=C(NCC#Cc2ccccc2)N1 ZINC000262640976 135120444 /nfs/dbraw/zinc/12/04/44/135120444.db2.gz HUKQYWXURXUKPA-NSHDSACASA-N 1 0 213.284 0.975 20 30 BCEDRO COc1ccc(CNC2=[NH+]C[C@@H](C)N2)cc1O ZINC000262646778 135120528 /nfs/dbraw/zinc/12/05/28/135120528.db2.gz JJOHMTSAQDGWAF-MRVPVSSYSA-N 1 0 235.287 0.838 20 30 BCEDRO COc1ccc(CNC2=[NH+]CCN2C)cc1O ZINC000262658950 135120633 /nfs/dbraw/zinc/12/06/33/135120633.db2.gz MKDNGBGPXIOGSV-UHFFFAOYSA-N 1 0 235.287 0.792 20 30 BCEDRO CN1CC[NH+]=C1NCCc1ccccc1O ZINC000262654926 135120752 /nfs/dbraw/zinc/12/07/52/135120752.db2.gz LHXNFGRGGMTIDI-UHFFFAOYSA-N 1 0 219.288 0.826 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@](C)(O)c2cccs2)N1 ZINC000262681243 135120900 /nfs/dbraw/zinc/12/09/00/135120900.db2.gz WFDTUROIBFIBEC-LDYMZIIASA-N 1 0 239.344 0.893 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@](C)(O)c1ccccc1 ZINC000262683213 135120969 /nfs/dbraw/zinc/12/09/69/135120969.db2.gz XGHLRVPTTFPWJN-CYBMUJFWSA-N 1 0 233.315 0.785 20 30 BCEDRO CCc1nc(C)c(CNC(=[NH2+])N(C)C)o1 ZINC000262716741 135121668 /nfs/dbraw/zinc/12/16/68/135121668.db2.gz SDTVVXOYGPZVFK-UHFFFAOYSA-N 1 0 210.281 0.922 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@](C)(O)c1cccs1 ZINC000262671370 135121155 /nfs/dbraw/zinc/12/11/55/135121155.db2.gz RFEBCEHMTNMEDU-LLVKDONJSA-N 1 0 239.344 0.847 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H](O)c2ccccc2F)N1 ZINC000262672452 135121235 /nfs/dbraw/zinc/12/12/35/135121235.db2.gz RSQLRFLUUARKQX-KCJUWKMLSA-N 1 0 237.278 0.796 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nnc(SC)s1 ZINC000262767475 135121773 /nfs/dbraw/zinc/12/17/73/135121773.db2.gz HUNFZQVYKNYTJH-UHFFFAOYSA-N 1 0 243.361 0.850 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1ccc(C)n(C)c1=O ZINC000262809901 135122520 /nfs/dbraw/zinc/12/25/20/135122520.db2.gz TZRYLHRDLPTMCY-UHFFFAOYSA-N 1 0 248.330 0.674 20 30 BCEDRO COc1ccc(CNC(=[NH2+])N(C)C)nc1 ZINC000262885185 135122644 /nfs/dbraw/zinc/12/26/44/135122644.db2.gz GAMSFOPGLGDFMY-UHFFFAOYSA-N 1 0 208.265 0.467 20 30 BCEDRO CN(C)C(=[NH+]Cc1cccnn1)N(C)C ZINC000262973362 135124309 /nfs/dbraw/zinc/12/43/09/135124309.db2.gz SEFJJTYIWPUBQW-UHFFFAOYSA-N 1 0 207.281 0.456 20 30 BCEDRO CN(C)C(=[NH+]Cc1ccn(C)n1)N(C)C ZINC000263077973 135124660 /nfs/dbraw/zinc/12/46/60/135124660.db2.gz XGMLEQAOLPBFMV-UHFFFAOYSA-N 1 0 209.297 0.399 20 30 BCEDRO CO[C@H]1COCC[C@H]1CNC(=[NH2+])NC(C)(C)C ZINC000263148276 135125322 /nfs/dbraw/zinc/12/53/22/135125322.db2.gz PCZGQMDMWOGZRD-UWVGGRQHSA-N 1 0 243.351 0.741 20 30 BCEDRO C[NH+]=C(NCCn1cncn1)NC(C)(C)C ZINC000263248158 135125885 /nfs/dbraw/zinc/12/58/85/135125885.db2.gz NVLIEZFWCFGGRB-UHFFFAOYSA-N 1 0 224.312 0.242 20 30 BCEDRO C[NH+]=C(NCCn1ccnc1)NC1CCCC1 ZINC000263233960 135126081 /nfs/dbraw/zinc/12/60/81/135126081.db2.gz IWMLUXNKPDEXDR-UHFFFAOYSA-N 1 0 235.335 0.991 20 30 BCEDRO C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[C@@H]1C ZINC000263276428 135126166 /nfs/dbraw/zinc/12/61/66/135126166.db2.gz YNEUEKDGEMQYQA-DTWKUNHWSA-N 1 0 248.334 0.298 20 30 BCEDRO NC(=[NH2+])NCc1ccc(N2CCCCC2)nc1 ZINC000264054175 135130303 /nfs/dbraw/zinc/13/03/03/135130303.db2.gz ABTDVWZZZNYDJP-UHFFFAOYSA-N 1 0 233.319 0.845 20 30 BCEDRO C[NH+]=C(NCc1cnn(C)c1)NC1CC1 ZINC000264057451 135130469 /nfs/dbraw/zinc/13/04/69/135130469.db2.gz OOMGTLCRJOCLLU-UHFFFAOYSA-N 1 0 207.281 0.248 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H](O)c1ccccc1 ZINC000264069178 135130968 /nfs/dbraw/zinc/13/09/68/135130968.db2.gz FVQWFPVWAYKRRY-LLVKDONJSA-N 1 0 237.303 0.271 20 30 BCEDRO CCCNC(=[NH2+])NCc1cccc(C(=O)NC)c1 ZINC000264069131 135131046 /nfs/dbraw/zinc/13/10/46/135131046.db2.gz CQGUXUSKKDCYIN-UHFFFAOYSA-N 1 0 248.330 0.861 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)COc1ccc(F)cc1 ZINC000264078026 135131627 /nfs/dbraw/zinc/13/16/27/135131627.db2.gz GIMIPKPXCPRFEZ-VIFPVBQESA-N 1 0 241.266 0.100 20 30 BCEDRO [NH2+]=C(NCc1cccnc1)N1CCOCC1 ZINC000264084326 135131731 /nfs/dbraw/zinc/13/17/31/135131731.db2.gz JEOYWSJHBKSIKJ-UHFFFAOYSA-N 1 0 220.276 0.229 20 30 BCEDRO C[C@@H](CNC(=[NH2+])Nc1ccccn1)N(C)C ZINC000264079701 135131800 /nfs/dbraw/zinc/13/18/00/135131800.db2.gz GVUVVAZPULKZQA-VIFPVBQESA-N 1 0 221.308 0.758 20 30 BCEDRO COc1cccc(N2CC[C@H](CNC(N)=[NH2+])C2)c1 ZINC000264077114 135131925 /nfs/dbraw/zinc/13/19/25/135131925.db2.gz FZXGZMHZUOXPSX-SNVBAGLBSA-N 1 0 248.330 0.795 20 30 BCEDRO NC(=[NH2+])NCCCc1nc2ccccc2[nH]1 ZINC000264088895 135132560 /nfs/dbraw/zinc/13/25/60/135132560.db2.gz KIQVVOCLRMXJOW-UHFFFAOYSA-N 1 0 217.276 0.769 20 30 BCEDRO COCCNC(=[NH2+])NCc1cn2ccccc2n1 ZINC000264102054 135132992 /nfs/dbraw/zinc/13/29/92/135132992.db2.gz NAWYHQPUSWFMJP-UHFFFAOYSA-N 1 0 247.302 0.385 20 30 BCEDRO [NH2+]=C(NCCc1ccccc1)N1CCOCC1 ZINC000264106036 135133143 /nfs/dbraw/zinc/13/31/43/135133143.db2.gz NQOHJCWVSFKBPG-UHFFFAOYSA-N 1 0 233.315 0.876 20 30 BCEDRO CCCOc1ncccc1CNC(=[NH2+])NC ZINC000264099687 135133378 /nfs/dbraw/zinc/13/33/78/135133378.db2.gz NRFWDCVFMBXUDQ-UHFFFAOYSA-N 1 0 222.292 0.905 20 30 BCEDRO CNC(NCc1ccc(N(C)C)nc1)=[NH+]C ZINC000264115404 135133939 /nfs/dbraw/zinc/13/39/39/135133939.db2.gz SINQIZXLWVHGGF-UHFFFAOYSA-N 1 0 221.308 0.442 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ccc(N(C)C)nc1 ZINC000264120664 135134172 /nfs/dbraw/zinc/13/41/72/135134172.db2.gz UQTLAZRAYJRYOA-UHFFFAOYSA-N 1 0 221.308 0.524 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](c1cccc(F)c1)N(C)C ZINC000264125511 135134412 /nfs/dbraw/zinc/13/44/12/135134412.db2.gz SBHOKDCGXOHBRQ-NSHDSACASA-N 1 0 238.310 0.963 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCc1cccnc1 ZINC000264137395 135134843 /nfs/dbraw/zinc/13/48/43/135134843.db2.gz VLVUSAFFGAAAIZ-JTQLQIEISA-N 1 0 236.319 0.563 20 30 BCEDRO CCNC(=[NH2+])NCCNc1ccccn1 ZINC000264128640 135134891 /nfs/dbraw/zinc/13/48/91/135134891.db2.gz SWEXCVNQQXOTBY-UHFFFAOYSA-N 1 0 207.281 0.418 20 30 BCEDRO CCNC(=[NH2+])NCCCn1ccnc1C ZINC000264130689 135134899 /nfs/dbraw/zinc/13/48/99/135134899.db2.gz XYHHKSINOAROLZ-UHFFFAOYSA-N 1 0 209.297 0.506 20 30 BCEDRO CNC(=[NH2+])NCCOc1ccc(F)cc1 ZINC000264129974 135134964 /nfs/dbraw/zinc/13/49/64/135134964.db2.gz XUTCDRICCCTXAH-UHFFFAOYSA-N 1 0 211.240 0.739 20 30 BCEDRO COCCNC(=[NH2+])NCCc1cccc(O)c1 ZINC000264133336 135135012 /nfs/dbraw/zinc/13/50/12/135135012.db2.gz YSMGXLJUDQXGOF-UHFFFAOYSA-N 1 0 237.303 0.485 20 30 BCEDRO NC(=[NH2+])NCc1cccc(C(=O)NC2CC2)c1 ZINC000264129774 135135181 /nfs/dbraw/zinc/13/51/81/135135181.db2.gz XNWPMUYGPWCFFL-UHFFFAOYSA-N 1 0 232.287 0.352 20 30 BCEDRO CNC(NCCOc1ccc(F)cc1)=[NH+]C ZINC000264129908 135135296 /nfs/dbraw/zinc/13/52/96/135135296.db2.gz XSNGUIYMDSFBBH-UHFFFAOYSA-N 1 0 225.267 0.999 20 30 BCEDRO CNC(NC[C@H](O)Cc1ccccc1)=[NH+]C ZINC000264160459 135135600 /nfs/dbraw/zinc/13/56/00/135135600.db2.gz BGBXAOPGXZRORT-LLVKDONJSA-N 1 0 221.304 0.385 20 30 BCEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cn[nH]c1 ZINC000264260784 135137428 /nfs/dbraw/zinc/13/74/28/135137428.db2.gz PLGRZJZZJWHNSB-UHFFFAOYSA-N 1 0 249.318 0.717 20 30 BCEDRO NC(=O)c1cccc(CCNC(=[NH2+])NC2CC2)c1 ZINC000264297634 135138062 /nfs/dbraw/zinc/13/80/62/135138062.db2.gz RCEVPWVFUCOVCH-UHFFFAOYSA-N 1 0 246.314 0.395 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000259795491 135144529 /nfs/dbraw/zinc/14/45/29/135144529.db2.gz BUNPPAHQQFRJFV-ZJUUUORDSA-N 1 0 209.293 0.841 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)/C=C/C[NH+](C)C ZINC000265676626 135145831 /nfs/dbraw/zinc/14/58/31/135145831.db2.gz IJMSGHUMFNCOGY-BRAIEQGRSA-N 1 0 209.293 0.865 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N2CCSC[C@@H]2C#N)C1 ZINC000259950819 135145847 /nfs/dbraw/zinc/14/58/47/135145847.db2.gz RVTUTHODVRFASF-UWVGGRQHSA-N 1 0 239.344 0.406 20 30 BCEDRO C=CCN(C)C(=O)[C@]1(COC)CC[NH2+]C1 ZINC000261538091 135150744 /nfs/dbraw/zinc/15/07/44/135150744.db2.gz XLAISEOFUAGCOF-LLVKDONJSA-N 1 0 212.293 0.257 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCC#Cc1ccccc1 ZINC000267383873 135153196 /nfs/dbraw/zinc/15/31/96/135153196.db2.gz BGCIZVQNKHYPBF-GFCCVEGCSA-N 1 0 245.326 0.977 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCc1ccncc1 ZINC000267455405 135154762 /nfs/dbraw/zinc/15/47/62/135154762.db2.gz SPTKNGFPKMJPMA-JTQLQIEISA-N 1 0 236.319 0.563 20 30 BCEDRO CNC(NC[C@@H](O)c1cccc(OC)c1)=[NH+]C ZINC000267457936 135154848 /nfs/dbraw/zinc/15/48/48/135154848.db2.gz UEWVITWPHBXFMZ-LLVKDONJSA-N 1 0 237.303 0.523 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000267576144 135155834 /nfs/dbraw/zinc/15/58/34/135155834.db2.gz AZFRGOWMKCSNAR-UHFFFAOYSA-N 1 0 236.275 0.359 20 30 BCEDRO C[C@H](O)C[C@H](CNC(N)=[NH2+])c1ccccc1 ZINC000268473826 135158756 /nfs/dbraw/zinc/15/87/56/135158756.db2.gz XHPBKFFLYOEPFL-GXSJLCMTSA-N 1 0 221.304 0.815 20 30 BCEDRO Cc1ccc(CNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000261531369 135159844 /nfs/dbraw/zinc/15/98/44/135159844.db2.gz GGJTVYAIZIXUPS-SECBINFHSA-N 1 0 204.277 0.827 20 30 BCEDRO COCC1(CNC2=[NH+]CCN2C)CCC1 ZINC000261531891 135161710 /nfs/dbraw/zinc/16/17/10/135161710.db2.gz IGKLIUWXBIXOTL-UHFFFAOYSA-N 1 0 211.309 0.694 20 30 BCEDRO CO[C@](C)(CNC1=[NH+]CCN1C)C1CC1 ZINC000261532146 135162760 /nfs/dbraw/zinc/16/27/60/135162760.db2.gz JJIABVZBLUEUCP-LLVKDONJSA-N 1 0 211.309 0.693 20 30 BCEDRO CNC(NC[C@H](O)c1cccc(C)c1)=[NH+]C ZINC000268978267 135163019 /nfs/dbraw/zinc/16/30/19/135163019.db2.gz QPSGEQMLCFHFJD-NSHDSACASA-N 1 0 221.304 0.823 20 30 BCEDRO C=CCNC(=[NH2+])NCCOc1ncccc1F ZINC000269454185 135165331 /nfs/dbraw/zinc/16/53/31/135165331.db2.gz DRPIWQIFVHVXGI-UHFFFAOYSA-N 1 0 238.266 0.690 20 30 BCEDRO CCNC(=[NH2+])NCCOc1ncccc1F ZINC000269487692 135165422 /nfs/dbraw/zinc/16/54/22/135165422.db2.gz RBGCFHFPTYUJPA-UHFFFAOYSA-N 1 0 226.255 0.524 20 30 BCEDRO CNC(=[NH2+])NC[C@@]1(O)CCc2ccccc21 ZINC000269718001 135167045 /nfs/dbraw/zinc/16/70/45/135167045.db2.gz TVOGWBPGTAHBOZ-LBPRGKRZSA-N 1 0 219.288 0.355 20 30 BCEDRO CCc1nn(C)c(CC)c1CNC(NC)=[NH+]C ZINC000269978578 135168065 /nfs/dbraw/zinc/16/80/65/135168065.db2.gz QIATVXGHHNBATL-UHFFFAOYSA-N 1 0 237.351 0.840 20 30 BCEDRO CCNC(=[NH2+])NC[C@@](C)(O)c1cccs1 ZINC000270120377 135170152 /nfs/dbraw/zinc/17/01/52/135170152.db2.gz MOLRDZKIFUSXNK-SNVBAGLBSA-N 1 0 227.333 0.880 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2ccc(O)cc2)N1 ZINC000261536139 135171234 /nfs/dbraw/zinc/17/12/34/135171234.db2.gz QNOVEIJDGDOCSL-MRVPVSSYSA-N 1 0 205.261 0.830 20 30 BCEDRO COc1ccccc1OC[C@@H](C)CNC(N)=[NH2+] ZINC000270592313 135173162 /nfs/dbraw/zinc/17/31/62/135173162.db2.gz IUMQWALQNYQMAH-VIFPVBQESA-N 1 0 237.303 0.984 20 30 BCEDRO Cc1nc(N(C)C2C[NH2+]C2)ccc1C#N ZINC000261538543 135176278 /nfs/dbraw/zinc/17/62/78/135176278.db2.gz YMJXDBCRAJQXHC-UHFFFAOYSA-N 1 0 202.261 0.670 20 30 BCEDRO C=CCOCC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000261541675 135181933 /nfs/dbraw/zinc/18/19/33/135181933.db2.gz GALGKGVYDGGULK-JTQLQIEISA-N 1 0 212.293 0.305 20 30 BCEDRO C=CCCS(=O)(=O)N(C)CC(C)(C)C[NH3+] ZINC000261548383 135186644 /nfs/dbraw/zinc/18/66/44/135186644.db2.gz NQMDWHHJPBGEAT-UHFFFAOYSA-N 1 0 234.365 0.809 20 30 BCEDRO Cc1nc(N2C[C@H]3C[NH2+]C[C@H]3C2)ccc1C#N ZINC000261555257 135195654 /nfs/dbraw/zinc/19/56/54/135195654.db2.gz PQYSBAHAUORXDC-TXEJJXNPSA-N 1 0 228.299 0.917 20 30 BCEDRO C=CCNC(=O)[C@]1(CCOC)CC[NH2+]C1 ZINC000261555938 135195829 /nfs/dbraw/zinc/19/58/29/135195829.db2.gz VKFPVHHSMOSRHN-NSHDSACASA-N 1 0 212.293 0.305 20 30 BCEDRO C=CCOCC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000261559417 135200688 /nfs/dbraw/zinc/20/06/88/135200688.db2.gz ZBNRFJLEUMTCQZ-VHSXEESVSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000261561963 135203575 /nfs/dbraw/zinc/20/35/75/135203575.db2.gz VUUHTMIWXFYHHS-SDDRHHMPSA-N 1 0 237.347 0.218 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H](O)COCCOC(C)C ZINC000121068524 135221087 /nfs/dbraw/zinc/22/10/87/135221087.db2.gz KQLBBQPVHPRVFA-CYBMUJFWSA-N 1 0 243.347 0.744 20 30 BCEDRO C=CCOCC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000261584874 135225714 /nfs/dbraw/zinc/22/57/14/135225714.db2.gz QDAFRDCBZGCSRT-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO C=CCOCC(=O)N[C@](C)(C[NH3+])C1CC1 ZINC000261585955 135226757 /nfs/dbraw/zinc/22/67/57/135226757.db2.gz QSGPIBLODSQILA-LLVKDONJSA-N 1 0 212.293 0.433 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@](C)(C[NH3+])C1 ZINC000261585818 135226992 /nfs/dbraw/zinc/22/69/92/135226992.db2.gz QQMKMLFVHOKBGV-CMPLNLGQSA-N 1 0 225.336 0.348 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C1(C[NH3+])CCOCC1 ZINC000122476509 135227586 /nfs/dbraw/zinc/22/75/86/135227586.db2.gz RKBLZBZLQLWUJG-SNVBAGLBSA-N 1 0 226.320 0.823 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000340921267 135232701 /nfs/dbraw/zinc/23/27/01/135232701.db2.gz KYBPSZKKTGUCAZ-GHMZBOCLSA-N 1 0 239.319 0.204 20 30 BCEDRO C=CCOCC(=O)NC[C@@H](C)C[NH+](C)C ZINC000341256801 135235556 /nfs/dbraw/zinc/23/55/56/135235556.db2.gz HQUJELRQJGNTLR-SNVBAGLBSA-N 1 0 214.309 0.503 20 30 BCEDRO N#Cc1cc(N2CC[C@H]3C[NH2+]C[C@H]3C2)ccn1 ZINC000261545906 135237933 /nfs/dbraw/zinc/23/79/33/135237933.db2.gz GJLRUIXHYCSHML-QWRGUYRKSA-N 1 0 228.299 0.999 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000341788279 135243154 /nfs/dbraw/zinc/24/31/54/135243154.db2.gz JZYQJIHLHLBKDY-VWYCJHECSA-N 1 0 223.320 0.802 20 30 BCEDRO C[NH+]=C(NCCOC)N(C)C[C@H]1CCOC1 ZINC000261682549 135244881 /nfs/dbraw/zinc/24/48/81/135244881.db2.gz QTIAXCTUTGKLPY-SNVBAGLBSA-N 1 0 229.324 0.177 20 30 BCEDRO Cn1nccc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261754454 135250103 /nfs/dbraw/zinc/25/01/03/135250103.db2.gz KLVACDJETWDWCM-SNVBAGLBSA-N 1 0 237.307 0.003 20 30 BCEDRO [NH2+]=C(NCCNc1cnccn1)NC1CCCC1 ZINC000261770819 135251605 /nfs/dbraw/zinc/25/16/05/135251605.db2.gz MOBBBOZDTBTOBX-UHFFFAOYSA-N 1 0 248.334 0.735 20 30 BCEDRO C[C@H]1CCC[C@]1(O)CNC(=[NH2+])NC1CC1 ZINC000261803477 135254422 /nfs/dbraw/zinc/25/44/22/135254422.db2.gz AIUHZVMLARCSRA-KWQFWETISA-N 1 0 211.309 0.604 20 30 BCEDRO [NH2+]=C(NCCn1cccn1)N1CCSCC1 ZINC000262005377 135271250 /nfs/dbraw/zinc/27/12/50/135271250.db2.gz REHRAMXGPPPKJN-UHFFFAOYSA-N 1 0 239.348 0.247 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCN1CCOC[C@H]1C ZINC000262004530 135271291 /nfs/dbraw/zinc/27/12/91/135271291.db2.gz RBIRIAFOHCVVPG-LLVKDONJSA-N 1 0 240.351 0.188 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1nncn1C ZINC000262009837 135271951 /nfs/dbraw/zinc/27/19/51/135271951.db2.gz WHUCXVHTUJYXLD-ZETCQYMHSA-N 1 0 210.285 0.018 20 30 BCEDRO C[NH+]=C(NCc1nc(C)no1)N1CCCC1 ZINC000262081397 135278181 /nfs/dbraw/zinc/27/81/81/135278181.db2.gz FHYUNQXXRJQGRL-UHFFFAOYSA-N 1 0 223.280 0.549 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000262134221 135281533 /nfs/dbraw/zinc/28/15/33/135281533.db2.gz DJIOSRNDRDMXFN-NXEZZACHSA-N 1 0 211.309 0.799 20 30 BCEDRO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000342507951 135285015 /nfs/dbraw/zinc/28/50/15/135285015.db2.gz ZYWUDCBNTQQXJO-FRRDWIJNSA-N 1 0 237.347 0.989 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@]2(O)CCC[C@H]2C)N1 ZINC000262220714 135285705 /nfs/dbraw/zinc/28/57/05/135285705.db2.gz MPLCSGHDTMBKJE-FXPVBKGRSA-N 1 0 211.309 0.475 20 30 BCEDRO [NH2+]=C(NCC1=CCCOC1)N1CCSCC1 ZINC000262247178 135287242 /nfs/dbraw/zinc/28/72/42/135287242.db2.gz BPTQSLIXLJMOBL-UHFFFAOYSA-N 1 0 241.360 0.697 20 30 BCEDRO COCc1nc(CNC(=[NH2+])N(C)C)cs1 ZINC000262280357 135289998 /nfs/dbraw/zinc/28/99/98/135289998.db2.gz IWEFZPFXYGNFLP-UHFFFAOYSA-N 1 0 228.321 0.666 20 30 BCEDRO [NH2+]=C(NCC[C@H]1CCOC1)NC[C@H]1CCCO1 ZINC000262285207 135290569 /nfs/dbraw/zinc/29/05/69/135290569.db2.gz WKIDGROUONFQKF-WDEREUQCSA-N 1 0 241.335 0.496 20 30 BCEDRO [NH2+]=C(NCC(=O)NCC1CC1)Nc1ccccc1 ZINC000262306521 135291899 /nfs/dbraw/zinc/29/18/99/135291899.db2.gz MKTVCMUTSLJRPC-UHFFFAOYSA-N 1 0 246.314 0.939 20 30 BCEDRO C=CCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000262309322 135292360 /nfs/dbraw/zinc/29/23/60/135292360.db2.gz YSILCZXXWXZUFR-NXEZZACHSA-N 1 0 211.309 0.860 20 30 BCEDRO [NH2+]=C(NCCC1(F)CCC1)N1CCOCC1 ZINC000262325906 135293167 /nfs/dbraw/zinc/29/31/67/135293167.db2.gz TUTKBFPGDDVVMT-UHFFFAOYSA-N 1 0 229.299 0.916 20 30 BCEDRO CC(C)S(=O)(=O)CCNC(=[NH2+])N(C)C1CC1 ZINC000262327454 135293264 /nfs/dbraw/zinc/29/32/64/135293264.db2.gz XHOFXFSHGGYCOS-UHFFFAOYSA-N 1 0 247.364 0.219 20 30 BCEDRO [NH2+]=C(NC1CC1)N[C@@H]1CCn2ccnc2C1 ZINC000262404689 135295336 /nfs/dbraw/zinc/29/53/36/135295336.db2.gz AWECRHJMLDJFGR-SECBINFHSA-N 1 0 219.292 0.265 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H](O)C1(C)C ZINC000262409874 135295436 /nfs/dbraw/zinc/29/54/36/135295436.db2.gz CWCDTTHSKKAIBX-YIZRAAEISA-N 1 0 213.325 0.849 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCc2ccoc2)CCO1 ZINC000262419949 135296010 /nfs/dbraw/zinc/29/60/10/135296010.db2.gz AVSNKMUIHGDFGL-VIFPVBQESA-N 1 0 223.276 0.815 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCS1 ZINC000262427112 135296081 /nfs/dbraw/zinc/29/60/81/135296081.db2.gz RTZBYLLPYVZZIE-IUCAKERBSA-N 1 0 231.365 0.821 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCCS1 ZINC000262416316 135296272 /nfs/dbraw/zinc/29/62/72/135296272.db2.gz QFMQFYKVBPFQNN-ZJUUUORDSA-N 1 0 243.376 0.965 20 30 BCEDRO [NH2+]=C(NCCc1cn[nH]c1)NCC1CCC1 ZINC000262417161 135296329 /nfs/dbraw/zinc/29/63/29/135296329.db2.gz ZINFTVVBGBUKOI-UHFFFAOYSA-N 1 0 221.308 0.657 20 30 BCEDRO [NH2+]=C(NCc1ncccc1O)NC1CC1 ZINC000262361446 135296999 /nfs/dbraw/zinc/29/69/99/135296999.db2.gz KJWJWWFGTNKTFZ-UHFFFAOYSA-N 1 0 206.249 0.354 20 30 BCEDRO C[C@H](C[S@@](C)=O)N(C)CC1(C#N)CC1 ZINC000342629017 135297520 /nfs/dbraw/zinc/29/75/20/135297520.db2.gz DBHUSTHSLDQVMG-YMTOWFKASA-N 1 0 214.334 0.989 20 30 BCEDRO [NH2+]=C(NC[C@H]1COC2(CCCC2)O1)NC1CC1 ZINC000262397305 135298712 /nfs/dbraw/zinc/29/87/12/135298712.db2.gz OZRCXBWKEXYDMX-JTQLQIEISA-N 1 0 239.319 0.739 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])N[C@H]2C[C@H](O)C2(C)C)CCO1 ZINC000262455757 135299986 /nfs/dbraw/zinc/29/99/86/135299986.db2.gz LBMPHMPTOPWTHJ-UTLUCORTSA-N 1 0 241.335 0.181 20 30 BCEDRO CCn1ncnc1CNC(=[NH2+])N(C)C1CC1 ZINC000262451720 135300088 /nfs/dbraw/zinc/30/00/88/135300088.db2.gz KAQUPPKRSYIOQA-UHFFFAOYSA-N 1 0 222.296 0.207 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCSC2)CCO1 ZINC000262460692 135300461 /nfs/dbraw/zinc/30/04/61/135300461.db2.gz MGYYKIDWBQQSEF-NXEZZACHSA-N 1 0 243.376 0.775 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC2CC(F)(F)C2)CCO1 ZINC000262454198 135300481 /nfs/dbraw/zinc/30/04/81/135300481.db2.gz KQDBHRIUTQZPQC-ZETCQYMHSA-N 1 0 233.262 0.820 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCCOC2)CCO1 ZINC000262467122 135300940 /nfs/dbraw/zinc/30/09/40/135300940.db2.gz NYCVTBGNOIXJNU-MNOVXSKESA-N 1 0 241.335 0.448 20 30 BCEDRO C[C@H]1CCCC[N@@H+]1CCNC1=[NH+]CCN1C ZINC000262472913 135301195 /nfs/dbraw/zinc/30/11/95/135301195.db2.gz BNXCAOWCAPLPKK-NSHDSACASA-N 1 0 224.352 0.752 20 30 BCEDRO CCn1ncnc1CNC(=[NH2+])NC(C)C ZINC000262490547 135302635 /nfs/dbraw/zinc/30/26/35/135302635.db2.gz UVFATINLFYYELB-UHFFFAOYSA-N 1 0 210.285 0.111 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCC[C@@H]1O)N1CCSCC1 ZINC000262507275 135303380 /nfs/dbraw/zinc/30/33/80/135303380.db2.gz BRSPDIZNGXBMSQ-ZJUUUORDSA-N 1 0 243.376 0.511 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)CC[C@H]1CCCO1 ZINC000342612644 135303462 /nfs/dbraw/zinc/30/34/62/135303462.db2.gz YJSZDENZDPMWCP-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO Cc1nc(CNC(=[NH2+])N2CCC[C@H](C)C2)no1 ZINC000262519248 135303692 /nfs/dbraw/zinc/30/36/92/135303692.db2.gz HULFUOKGERSEDX-QMMMGPOBSA-N 1 0 237.307 0.925 20 30 BCEDRO Cc1nc(CNC(=[NH2+])N2CCC[C@@H](C)C2)no1 ZINC000262519247 135304152 /nfs/dbraw/zinc/30/41/52/135304152.db2.gz HULFUOKGERSEDX-MRVPVSSYSA-N 1 0 237.307 0.925 20 30 BCEDRO [NH2+]=C(NC[C@@]1(O)CCSC1)NC1CCCC1 ZINC000262544976 135305804 /nfs/dbraw/zinc/30/58/04/135305804.db2.gz RTPJSCLODDVDSK-NSHDSACASA-N 1 0 243.376 0.701 20 30 BCEDRO C[C@]1(CNC(=[NH2+])NC[C@H]2CCCO2)CCOC1 ZINC000262576750 135306378 /nfs/dbraw/zinc/30/63/78/135306378.db2.gz OPALOAKWXKNGLC-ZYHUDNBSSA-N 1 0 241.335 0.496 20 30 BCEDRO C[C@H]1C[NH+]=C(NCC2([S@](C)=O)CCC2)N1 ZINC000262629412 135309667 /nfs/dbraw/zinc/30/96/67/135309667.db2.gz FJZNIAWIANEOTR-AYVTZFPOSA-N 1 0 229.349 0.225 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCC2(C)OCCO2)N1 ZINC000262640593 135310040 /nfs/dbraw/zinc/31/00/40/135310040.db2.gz HRFMMVHENWTUCS-MRVPVSSYSA-N 1 0 213.281 0.077 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H](O)C2CCCCC2)N1 ZINC000262640972 135310215 /nfs/dbraw/zinc/31/02/15/135310215.db2.gz HUIUQWHSPKCONW-KOLCDFICSA-N 1 0 225.336 0.865 20 30 BCEDRO CO[C@H]1CCC[C@H]1CNC1=[NH+]CCN1C ZINC000262653965 135310800 /nfs/dbraw/zinc/31/08/00/135310800.db2.gz KZEXFKOKNCLZKV-UWVGGRQHSA-N 1 0 211.309 0.693 20 30 BCEDRO CC(=O)Nc1ccc(CNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000262652102 135310973 /nfs/dbraw/zinc/31/09/73/135310973.db2.gz KQSBZJLEOMTBQE-MRVPVSSYSA-N 1 0 247.302 0.477 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCNC(=O)C(C)(C)C)N1 ZINC000262646069 135311162 /nfs/dbraw/zinc/31/11/62/135311162.db2.gz JERBTELLRAIUAL-MRVPVSSYSA-N 1 0 226.324 0.086 20 30 BCEDRO CC1(C)[C@H](NC(=[NH2+])NC2CC2)[C@@H]2CCO[C@@H]21 ZINC000262665130 135312295 /nfs/dbraw/zinc/31/22/95/135312295.db2.gz NBAXAFHVNUMAIE-AEJSXWLSSA-N 1 0 223.320 0.867 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2c3c(nn2C)CCCC3)N1 ZINC000262657338 135312335 /nfs/dbraw/zinc/31/23/35/135312335.db2.gz KTNBYDSDCIUGNX-SECBINFHSA-N 1 0 247.346 0.736 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCN2CC=CCC2)N1 ZINC000262666564 135312488 /nfs/dbraw/zinc/31/24/88/135312488.db2.gz OZDTUZWMIWRFIZ-JTQLQIEISA-N 1 0 208.309 0.186 20 30 BCEDRO CN1CC[NH+]=C1NCc1cccc(C(N)=O)c1 ZINC000262675496 135312695 /nfs/dbraw/zinc/31/26/95/135312695.db2.gz TVEXNZGVULDMRG-UHFFFAOYSA-N 1 0 232.287 0.177 20 30 BCEDRO C[C@H]1C[NH+]=C(NCC2(CCO)CCCC2)N1 ZINC000262677869 135312873 /nfs/dbraw/zinc/31/28/73/135312873.db2.gz UROIYGWGUIOAOB-JTQLQIEISA-N 1 0 225.336 0.867 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC2(CCO)CCCC2)N1 ZINC000262677872 135312893 /nfs/dbraw/zinc/31/28/93/135312893.db2.gz UROIYGWGUIOAOB-SNVBAGLBSA-N 1 0 225.336 0.867 20 30 BCEDRO C[C@H]1CC[C@H]1NC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262677697 135312985 /nfs/dbraw/zinc/31/29/85/135312985.db2.gz UOONBHXXDWBWCM-IVZWLZJFSA-N 1 0 211.309 0.820 20 30 BCEDRO CO[C@H]1C[C@H](NC(=[NH2+])N2CCOCC2)C1(C)C ZINC000262692211 135313521 /nfs/dbraw/zinc/31/35/21/135313521.db2.gz CMDFHCZMCSGGNH-UWVGGRQHSA-N 1 0 241.335 0.447 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCCN(C)[C@@H]1C ZINC000342712289 135313706 /nfs/dbraw/zinc/31/37/06/135313706.db2.gz MQLMYTYVQKOREG-TUAOUCFPSA-N 1 0 239.363 0.749 20 30 BCEDRO CN(C)C(=[NH2+])NCC1(S(C)(=O)=O)CCCC1 ZINC000262689491 135314020 /nfs/dbraw/zinc/31/40/20/135314020.db2.gz ZPXNZPIUJKCQNC-UHFFFAOYSA-N 1 0 247.364 0.220 20 30 BCEDRO C=CCOCC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000342726691 135315471 /nfs/dbraw/zinc/31/54/71/135315471.db2.gz VXUOOHVWZIEABD-LBPRGKRZSA-N 1 0 226.320 0.695 20 30 BCEDRO C[C@@H]1OCC[C@@]1(O)CNC(=[NH2+])NCC1CCC1 ZINC000262716460 135315998 /nfs/dbraw/zinc/31/59/98/135315998.db2.gz DQOVPAPUPIYXKE-JOYOIKCWSA-N 1 0 241.335 0.231 20 30 BCEDRO [NH2+]=C(NCCN1CCC1)N1CCSCC1 ZINC000262758616 135317011 /nfs/dbraw/zinc/31/70/11/135317011.db2.gz CNVSHWBBOCSUNW-UHFFFAOYSA-N 1 0 228.365 0.056 20 30 BCEDRO C[S@](=O)C1(CNC(=[NH2+])NC2CC2)CCC1 ZINC000262796944 135319009 /nfs/dbraw/zinc/31/90/09/135319009.db2.gz LWLBBRKIJJTSNJ-HNNXBMFYSA-N 1 0 229.349 0.354 20 30 BCEDRO Cc1ccc(CNC(=[NH2+])NC(C)C)c(=O)n1C ZINC000262810817 135319160 /nfs/dbraw/zinc/31/91/60/135319160.db2.gz UFUDFHDVJCKGDW-UHFFFAOYSA-N 1 0 236.319 0.506 20 30 BCEDRO C=CCNC(=[NH2+])N[C@H]1C[C@H](OC)C1(C)C ZINC000262806686 135319397 /nfs/dbraw/zinc/31/93/97/135319397.db2.gz NNDRMWDNWBYMHH-IUCAKERBSA-N 1 0 211.309 0.890 20 30 BCEDRO C[C@H]1OCC[C@@]1(O)C[NH+]=C(N(C)C)N(C)C ZINC000262866519 135321511 /nfs/dbraw/zinc/32/15/11/135321511.db2.gz URHDJKXZPRARGF-MWLCHTKSSA-N 1 0 229.324 0.006 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000334166545 135323936 /nfs/dbraw/zinc/32/39/36/135323936.db2.gz AQJIULIILQCLQG-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO C[NH+]=C(NCc1ccn(C)n1)NCc1ccco1 ZINC000262968839 135325752 /nfs/dbraw/zinc/32/57/52/135325752.db2.gz LNSXDFCUGRAWOC-UHFFFAOYSA-N 1 0 247.302 0.878 20 30 BCEDRO COc1ccc(CNC(=[NH2+])N2CCC2)nc1 ZINC000263026310 135327674 /nfs/dbraw/zinc/32/76/74/135327674.db2.gz ARBGHVBWYMMGOB-UHFFFAOYSA-N 1 0 220.276 0.611 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)N[C@H]1CC12CC2 ZINC000263038352 135328112 /nfs/dbraw/zinc/32/81/12/135328112.db2.gz IGWPZILNNCXREK-IUCAKERBSA-N 1 0 209.293 0.622 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])N[C@@H]2CC23CC3)CCO1 ZINC000263057300 135330062 /nfs/dbraw/zinc/33/00/62/135330062.db2.gz LZERRMZGEVWLJZ-RKDXNWHRSA-N 1 0 209.293 0.574 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCOC[C@H]1OC ZINC000263064959 135330614 /nfs/dbraw/zinc/33/06/14/135330614.db2.gz GAXBEISAZCUKFR-GHMZBOCLSA-N 1 0 241.335 0.518 20 30 BCEDRO COCC1(CNC(=[NH2+])N2CCC2)CCC1 ZINC000263071405 135330900 /nfs/dbraw/zinc/33/09/00/135330900.db2.gz GTVFCMQUOZAGHO-UHFFFAOYSA-N 1 0 211.309 0.824 20 30 BCEDRO CO[C@H](CNC(=[NH2+])NC1CCC1)C1CC1 ZINC000263080231 135331289 /nfs/dbraw/zinc/33/12/89/135331289.db2.gz HQEIYSPETJORHM-SNVBAGLBSA-N 1 0 211.309 0.868 20 30 BCEDRO CO[C@@H]1COCC[C@@H]1CNC1=[NH+]CCCN1C ZINC000263107543 135333378 /nfs/dbraw/zinc/33/33/78/135333378.db2.gz KUEZOXLLAUMELF-GHMZBOCLSA-N 1 0 241.335 0.319 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@]1(O)CCC[C@H]1C ZINC000263118995 135334405 /nfs/dbraw/zinc/33/44/05/135334405.db2.gz LTWPLNKXSCIYKW-JFGNBEQYSA-N 1 0 243.351 0.477 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H]1C(C)C ZINC000263129633 135335042 /nfs/dbraw/zinc/33/50/42/135335042.db2.gz MYDAHPRWRQVMOX-LPEHRKFASA-N 1 0 213.325 0.970 20 30 BCEDRO CNC(NCCn1c2ccccc2oc1=O)=[NH+]C ZINC000263147400 135335399 /nfs/dbraw/zinc/33/53/99/135335399.db2.gz LBZPASCEFZKGIQ-UHFFFAOYSA-N 1 0 248.286 0.389 20 30 BCEDRO [NH2+]=C(NCCc1cnccn1)NC1CCCC1 ZINC000263151607 135335830 /nfs/dbraw/zinc/33/58/30/135335830.db2.gz LZXKQLQMAZXDQG-UHFFFAOYSA-N 1 0 233.319 0.866 20 30 BCEDRO CN(C)c1nccc(CNC(=[NH2+])NC2CC2)n1 ZINC000263153261 135336161 /nfs/dbraw/zinc/33/61/61/135336161.db2.gz MNLPSDDXWFMWPJ-UHFFFAOYSA-N 1 0 234.307 0.109 20 30 BCEDRO CO[C@@H]1[C@H](C)[C@@H](NC(=[NH2+])N(C)C)C1(C)C ZINC000263165857 135336178 /nfs/dbraw/zinc/33/61/78/135336178.db2.gz PZZWGQAUETWVQS-IWSPIJDZSA-N 1 0 213.325 0.922 20 30 BCEDRO CC(C)O[C@H]1C[C@@H](NC(=[NH2+])N2CCC2)C1 ZINC000263166316 135336397 /nfs/dbraw/zinc/33/63/97/135336397.db2.gz RHVYUIJQFNDZEF-AOOOYVTPSA-N 1 0 211.309 0.963 20 30 BCEDRO CO[C@@H]1C[C@@H](NC(=[NH2+])N(C)C)C12CCC2 ZINC000263170231 135336845 /nfs/dbraw/zinc/33/68/45/135336845.db2.gz RYWDDLVYNLNWCC-RKDXNWHRSA-N 1 0 211.309 0.820 20 30 BCEDRO C[C@@H]1CC[C@H](CNC2=[NH+]CCCN2C)O1 ZINC000263174274 135337142 /nfs/dbraw/zinc/33/71/42/135337142.db2.gz SMQQGXSBDZRAAD-NXEZZACHSA-N 1 0 211.309 0.835 20 30 BCEDRO [NH2+]=C(NCC1(CO)CC2(CCC2)C1)N1CCC1 ZINC000263175697 135337182 /nfs/dbraw/zinc/33/71/82/135337182.db2.gz SPXWZASOXGTJBP-UHFFFAOYSA-N 1 0 237.347 0.950 20 30 BCEDRO C[C@H]1CC[C@H](CNC(=[NH2+])N2CCSCC2)O1 ZINC000263178256 135338139 /nfs/dbraw/zinc/33/81/39/135338139.db2.gz SZOBHPBRBKMYLD-VHSXEESVSA-N 1 0 243.376 0.917 20 30 BCEDRO C[C@@H]1CC[C@@H](CNC(=[NH2+])N2CCSCC2)O1 ZINC000263178257 135338211 /nfs/dbraw/zinc/33/82/11/135338211.db2.gz SZOBHPBRBKMYLD-ZJUUUORDSA-N 1 0 243.376 0.917 20 30 BCEDRO CN(C)c1cccnc1CNC1=[NH+]CCCN1C ZINC000263189529 135338318 /nfs/dbraw/zinc/33/83/18/135338318.db2.gz VKGAJNSWTWRDSX-UHFFFAOYSA-N 1 0 247.346 0.929 20 30 BCEDRO CO[C@H]1CCC[C@H]1CNC(=[NH2+])N1CCOCC1 ZINC000263191355 135338585 /nfs/dbraw/zinc/33/85/85/135338585.db2.gz YPCXSYXDEITILQ-QWRGUYRKSA-N 1 0 241.335 0.448 20 30 BCEDRO CNC(=O)CNC(NC1CCCCC1)=[NH+]C ZINC000263248052 135342451 /nfs/dbraw/zinc/34/24/51/135342451.db2.gz NOGRXJOCBQPXPE-UHFFFAOYSA-N 1 0 226.324 0.230 20 30 BCEDRO C[NH+]1C[C@@H]2CN(c3ccnc(C#N)c3)C[C@H]2C1 ZINC000343056508 135346020 /nfs/dbraw/zinc/34/60/20/135346020.db2.gz XVOLCIAJUJICHF-GHMZBOCLSA-N 1 0 228.299 0.951 20 30 BCEDRO C[C@@H]1CCCCC[N@@H+]1CC(=O)NCC#N ZINC000334345253 135365562 /nfs/dbraw/zinc/36/55/62/135365562.db2.gz ONZLXQFCBQYFFE-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO COCCn1cc(C[NH2+]CCCC#N)cn1 ZINC000273092104 135366211 /nfs/dbraw/zinc/36/62/11/135366211.db2.gz STRIMRVWCARIMM-UHFFFAOYSA-N 1 0 222.292 0.923 20 30 BCEDRO CN1CC[NH+]=C1NCCCn1ccnc1 ZINC000284956842 135371582 /nfs/dbraw/zinc/37/15/82/135371582.db2.gz FDNYRJLOJSEGER-UHFFFAOYSA-N 1 0 207.281 0.164 20 30 BCEDRO C[N@@H+](CC#Cc1ccccc1)CCOCCO ZINC000282598979 135372216 /nfs/dbraw/zinc/37/22/16/135372216.db2.gz WENBWEASLSEYSW-UHFFFAOYSA-N 1 0 233.311 0.979 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](COCC)C(C)C ZINC000286148849 135372760 /nfs/dbraw/zinc/37/27/60/135372760.db2.gz NNIBZHHULKAPHP-NSHDSACASA-N 1 0 228.336 0.939 20 30 BCEDRO Cn1nncc1C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000287443156 135373187 /nfs/dbraw/zinc/37/31/87/135373187.db2.gz UNAMFJOFDFWGDF-UWVGGRQHSA-N 1 0 219.292 0.987 20 30 BCEDRO C=CCOCCSc1nc(N)cc(N)[nH+]1 ZINC000292558041 135376049 /nfs/dbraw/zinc/37/60/49/135376049.db2.gz CSYZLUWIHAZCKB-UHFFFAOYSA-N 1 0 226.305 0.936 20 30 BCEDRO Cn1cc(C[N@H+](C)CCOCCC#N)cn1 ZINC000293559846 135376233 /nfs/dbraw/zinc/37/62/33/135376233.db2.gz RWEATKWKZWNICH-UHFFFAOYSA-N 1 0 222.292 0.782 20 30 BCEDRO C#CC[N@H+](C)CCCN[C@H]1CCn2ccnc21 ZINC000294136468 135377760 /nfs/dbraw/zinc/37/77/60/135377760.db2.gz OXSXBRJEKGRNEM-LBPRGKRZSA-N 1 0 232.331 0.873 20 30 BCEDRO C=CCOCC[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000297775676 135380158 /nfs/dbraw/zinc/38/01/58/135380158.db2.gz VWJSAGUUFSSAAQ-LLVKDONJSA-N 1 0 214.309 0.679 20 30 BCEDRO CC[NH+](CC)C[C@H](C)NC(=O)c1cnnn1C ZINC000330378951 135471443 /nfs/dbraw/zinc/47/14/43/135471443.db2.gz RZUPYOWJEGIXFB-VIFPVBQESA-N 1 0 239.323 0.850 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CCC(O)(C(N)=O)CC1 ZINC000330495811 135476870 /nfs/dbraw/zinc/47/68/70/135476870.db2.gz XFJIQFYVLOAEPO-SNVBAGLBSA-N 1 0 242.319 0.676 20 30 BCEDRO CN(C(=[NH2+])NCC(=O)Nc1cccnc1)C1CC1 ZINC000181473052 135499907 /nfs/dbraw/zinc/49/99/07/135499907.db2.gz BYFDIRNLSKRQLL-UHFFFAOYSA-N 1 0 247.302 0.429 20 30 BCEDRO COC[C@@H](O)CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191524405 135530045 /nfs/dbraw/zinc/53/00/45/135530045.db2.gz WOFMQIYEMDFMQP-LBPRGKRZSA-N 1 0 237.303 0.384 20 30 BCEDRO C=CCOCCCC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000295214161 135683105 /nfs/dbraw/zinc/68/31/05/135683105.db2.gz LXLLKPDRGNZCPV-IAZYJMLFSA-N 1 0 224.304 0.303 20 30 BCEDRO C[C@@H](C[NH+](C)C)NS(=O)(=O)CC1(C#N)CC1 ZINC000344890076 135805220 /nfs/dbraw/zinc/80/52/20/135805220.db2.gz SXOYKXPEZZJHPB-VIFPVBQESA-N 1 0 245.348 0.160 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[NH2+][C@H](C)C2)C1=O ZINC000334998115 135861708 /nfs/dbraw/zinc/86/17/08/135861708.db2.gz KJTFDUWWRVMKOG-GHMZBOCLSA-N 1 0 223.320 0.067 20 30 BCEDRO C=C(C)CN1CCC([NH2+][C@H](C)CC(N)=O)CC1 ZINC000346102573 135913991 /nfs/dbraw/zinc/91/39/91/135913991.db2.gz ONUFDTAQQFPMOP-LLVKDONJSA-N 1 0 239.363 0.880 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)c1c[nH]c(C#N)c1 ZINC000346660411 135945724 /nfs/dbraw/zinc/94/57/24/135945724.db2.gz BDJKXAJQLNMOCO-SECBINFHSA-N 1 0 234.303 0.956 20 30 BCEDRO CC#CCN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000367013118 136014700 /nfs/dbraw/zinc/01/47/00/136014700.db2.gz JBYWMVYGTIMGPR-GFCCVEGCSA-N 1 0 208.305 0.416 20 30 BCEDRO C=CCOCCC[N@@H+](C)CCC(=O)NC ZINC000348030082 136027367 /nfs/dbraw/zinc/02/73/67/136027367.db2.gz INSKRLFARXZXGM-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO CC#CC[N@@H+]1C[C@H](N2CCOCC2)C[C@H]1C ZINC000335313588 136031597 /nfs/dbraw/zinc/03/15/97/136031597.db2.gz QNAPKIWXXXBTHT-CHWSQXEVSA-N 1 0 222.332 0.805 20 30 BCEDRO C[N@@H+]1CC[C@@]2(CCN(C(=O)NCCC#N)C2)C1 ZINC000335320098 136049275 /nfs/dbraw/zinc/04/92/75/136049275.db2.gz HMUHWSJCGBTCIZ-GFCCVEGCSA-N 1 0 236.319 0.637 20 30 BCEDRO C=CCCC[C@@H](C)[N@@H+]1CC[C@](O)(C(N)=O)C1 ZINC000348208512 136055272 /nfs/dbraw/zinc/05/52/72/136055272.db2.gz IIATXMOPIUWOGE-ZYHUDNBSSA-N 1 0 226.320 0.653 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC([NH3+])CC2)C1=O ZINC000335384164 136088154 /nfs/dbraw/zinc/08/81/54/136088154.db2.gz CVAPVWLHRMHYEF-LLVKDONJSA-N 1 0 223.320 0.196 20 30 BCEDRO C=CCNC(=O)CN1CC[N@@H+](C)C[C@H]1C(C)C ZINC000348549317 136096045 /nfs/dbraw/zinc/09/60/45/136096045.db2.gz CBFZSUPRGXQSKA-LBPRGKRZSA-N 1 0 239.363 0.561 20 30 BCEDRO C=CCCN(C)C(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000647597918 397791356 /nfs/dbraw/zinc/79/13/56/397791356.db2.gz YCFBSCVGYJEXIR-UWVGGRQHSA-N 1 0 241.335 0.263 20 30 BCEDRO Cn1nncc1C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308914445 397843226 /nfs/dbraw/zinc/84/32/26/397843226.db2.gz GQLHVKKFEIODMS-BDAKNGLRSA-N 1 0 205.265 0.597 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CC(=O)NC ZINC000309100212 397850099 /nfs/dbraw/zinc/85/00/99/397850099.db2.gz GJQOHUKDTVTURK-UWVGGRQHSA-N 1 0 214.309 0.285 20 30 BCEDRO N#CC1(C[NH2+][C@@H](CO)C2CCOCC2)CC1 ZINC000309556479 397863304 /nfs/dbraw/zinc/86/33/04/397863304.db2.gz HUPGFXYZSMTWFM-NSHDSACASA-N 1 0 224.304 0.667 20 30 BCEDRO C=CC[C@@H](CC)[NH2+]CCC(=O)NC(N)=O ZINC000591765632 397934604 /nfs/dbraw/zinc/93/46/04/397934604.db2.gz LQIVXYVYPBIQDQ-MRVPVSSYSA-N 1 0 213.281 0.516 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1c[nH]ccc1=O ZINC000592029847 397942554 /nfs/dbraw/zinc/94/25/54/397942554.db2.gz LYNPHPOCPNJMLD-MRVPVSSYSA-N 1 0 234.259 0.335 20 30 BCEDRO COCC[C@H](C)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151426 397944661 /nfs/dbraw/zinc/94/46/61/397944661.db2.gz OTFZPRBOQDZKCI-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO COC(=O)CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151734 397944933 /nfs/dbraw/zinc/94/49/33/397944933.db2.gz QWNJJFLQFINPHP-LLVKDONJSA-N 1 0 226.276 0.290 20 30 BCEDRO COC(=O)CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151735 397944950 /nfs/dbraw/zinc/94/49/50/397944950.db2.gz QWNJJFLQFINPHP-NSHDSACASA-N 1 0 226.276 0.290 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C[NH+](CC)CC ZINC000456753920 397995219 /nfs/dbraw/zinc/99/52/19/397995219.db2.gz BCARALUXOKTLIE-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO CC1(C#N)CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000599938304 398045531 /nfs/dbraw/zinc/04/55/31/398045531.db2.gz NKEVQCGNXLSNFN-SNVBAGLBSA-N 1 0 236.319 0.684 20 30 BCEDRO C[C@H](C(=O)N[C@H](C#N)CO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000597746009 398017288 /nfs/dbraw/zinc/01/72/88/398017288.db2.gz GYWZLBIKTYCREC-LMLFDSFASA-N 1 0 239.319 0.248 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)CC1(C#N)CC1 ZINC000598161273 398027512 /nfs/dbraw/zinc/02/75/12/398027512.db2.gz PJRHODVZKZSIQH-UHFFFAOYSA-N 1 0 221.304 0.700 20 30 BCEDRO CC[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H](C)CO ZINC000598617323 398032682 /nfs/dbraw/zinc/03/26/82/398032682.db2.gz IJLRHICZZJTBIS-QWRGUYRKSA-N 1 0 228.336 0.990 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ncccc1C ZINC000491228802 398033871 /nfs/dbraw/zinc/03/38/71/398033871.db2.gz BZIHRANFJYZDQN-UHFFFAOYSA-N 1 0 231.299 0.619 20 30 BCEDRO COC(=O)[C@@H]1C[N@H+](CCOCCC#N)C[C@H]1C ZINC000385320388 398035081 /nfs/dbraw/zinc/03/50/81/398035081.db2.gz QVJBYLMRMAWIPG-GHMZBOCLSA-N 1 0 240.303 0.658 20 30 BCEDRO C#C[C@H](NC(=O)N1CCC[NH2+]CC1)C(C)C ZINC000491305123 398037775 /nfs/dbraw/zinc/03/77/75/398037775.db2.gz HZQWEYDMWGKKBY-NSHDSACASA-N 1 0 223.320 0.649 20 30 BCEDRO C=CCOCCn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000564726029 398039354 /nfs/dbraw/zinc/03/93/54/398039354.db2.gz HVYPYGYZSKWYPA-UHFFFAOYSA-N 1 0 249.314 0.134 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCC[C@@H]1OC ZINC000491623980 398049876 /nfs/dbraw/zinc/04/98/76/398049876.db2.gz GQOZLYJTCWZIJW-WOPDTQHZSA-N 1 0 238.331 0.672 20 30 BCEDRO C[C@]1(NC(=O)[C@@H]([NH3+])CCCCC#N)CCOC1 ZINC000594439470 397974092 /nfs/dbraw/zinc/97/40/92/397974092.db2.gz QWIFMSIBBXAFJS-JQWIXIFHSA-N 1 0 239.319 0.693 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NC(C)(C)C ZINC000451600210 397977906 /nfs/dbraw/zinc/97/79/06/397977906.db2.gz QSNJXRYQVMUKSG-ZJUUUORDSA-N 1 0 226.320 0.834 20 30 BCEDRO COC(=O)COC[C@@H](C)[NH2+]CC1(C#N)CCC1 ZINC000418138502 397988550 /nfs/dbraw/zinc/98/85/50/397988550.db2.gz GGEGIHUJYAIGBY-SNVBAGLBSA-N 1 0 240.303 0.848 20 30 BCEDRO C=CCOCC[N@H+]1C[C@H](O)C[C@@H]1COC ZINC000649764653 398092263 /nfs/dbraw/zinc/09/22/63/398092263.db2.gz KSNDHRBWFPKVTL-GHMZBOCLSA-N 1 0 215.293 0.271 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)Cn1cccn1 ZINC000491705069 398061416 /nfs/dbraw/zinc/06/14/16/398061416.db2.gz ILSFZQGOPSPEEK-LBPRGKRZSA-N 1 0 248.330 0.248 20 30 BCEDRO C#CCN(C(=O)[C@H]1CN(CC)CCO1)C1CC1 ZINC000491763909 398065458 /nfs/dbraw/zinc/06/54/58/398065458.db2.gz CHIFQAVUOUVEQD-GFCCVEGCSA-N 1 0 236.315 0.331 20 30 BCEDRO CC(C)C[C@H](C#N)NC(=O)[C@@H](C)[NH+](C)C ZINC000602090816 398067170 /nfs/dbraw/zinc/06/71/70/398067170.db2.gz SFJPUCLBMGKRQM-NXEZZACHSA-N 1 0 211.309 0.991 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000491789773 398069804 /nfs/dbraw/zinc/06/98/04/398069804.db2.gz ZGLUBNKMZQYTMO-GARJFASQSA-N 1 0 221.304 0.307 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000491796263 398072825 /nfs/dbraw/zinc/07/28/25/398072825.db2.gz YXJWKYPEKQRKPG-GMTAPVOTSA-N 1 0 239.319 0.156 20 30 BCEDRO N#CC1(C(=O)NC[C@H]([NH3+])C2CC2)CC2(CC2)C1 ZINC000602482057 398075508 /nfs/dbraw/zinc/07/55/08/398075508.db2.gz FOWVTIQWNZGTIR-JTQLQIEISA-N 1 0 233.315 0.924 20 30 BCEDRO C=CC(C)(C)CNC(=O)N(C)CCOCC[NH3+] ZINC000627050955 398098915 /nfs/dbraw/zinc/09/89/15/398098915.db2.gz ZKHWRUSONHZRBH-UHFFFAOYSA-N 1 0 243.351 0.815 20 30 BCEDRO COCC#CC[NH+]1CCC(Cn2cnnc2)CC1 ZINC000649785600 398101449 /nfs/dbraw/zinc/10/14/49/398101449.db2.gz MJFPXJFBLSJWNL-UHFFFAOYSA-N 1 0 248.330 0.640 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000668799183 487557315 /nfs/dbraw/zinc/55/73/15/487557315.db2.gz QJEOFEXTDZHEEX-QWRGUYRKSA-N 1 0 226.320 0.334 20 30 BCEDRO C#CCC[NH2+]C1(CC(=O)OC)CCOCC1 ZINC000270498768 166147935 /nfs/dbraw/zinc/14/79/35/166147935.db2.gz HNWPFEXRIUQTPP-UHFFFAOYSA-N 1 0 225.288 0.712 20 30 BCEDRO C#CCN(C)C(=O)C[NH+]1CCC(C)CC1 ZINC000276971171 166155525 /nfs/dbraw/zinc/15/55/25/166155525.db2.gz PHOGUGVYIYCKEV-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000612520362 487597367 /nfs/dbraw/zinc/59/73/67/487597367.db2.gz XWCILOQHYGBGLM-WOPDTQHZSA-N 1 0 238.331 0.476 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000271054809 166131563 /nfs/dbraw/zinc/13/15/63/166131563.db2.gz QVHZVWKDHSELSJ-NSHDSACASA-N 1 0 208.305 0.987 20 30 BCEDRO C#CCC[N@H+]1CC(=O)N[C@H]2CCCC[C@@H]21 ZINC000270657492 166136316 /nfs/dbraw/zinc/13/63/16/166136316.db2.gz VBORIEAVLGBDMP-QWRGUYRKSA-N 1 0 206.289 0.753 20 30 BCEDRO C=CCCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662627921 409798313 /nfs/dbraw/zinc/79/83/13/409798313.db2.gz LGYOCWIFLCGTFY-UHFFFAOYSA-N 1 0 249.318 0.509 20 30 BCEDRO C[NH2+]C[C@H](C)CNc1cc(C#N)ncn1 ZINC000393742823 410004208 /nfs/dbraw/zinc/00/42/08/410004208.db2.gz ZHASMCUMWAQSHC-QMMMGPOBSA-N 1 0 205.265 0.616 20 30 BCEDRO Cc1noc(CCNC(=[NH2+])NC2CCCC2)n1 ZINC000076105462 410055174 /nfs/dbraw/zinc/05/51/74/410055174.db2.gz UZDGBIBHLHKLLQ-UHFFFAOYSA-N 1 0 237.307 0.767 20 30 BCEDRO C=CCn1cc(C(=O)NCCC2(C[NH3+])CC2)nn1 ZINC000653222902 410170968 /nfs/dbraw/zinc/17/09/68/410170968.db2.gz UQNXUEQTVZXUQY-UHFFFAOYSA-N 1 0 249.318 0.323 20 30 BCEDRO CC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000661155658 410309169 /nfs/dbraw/zinc/30/91/69/410309169.db2.gz VIMWIYHAXUIAPF-RYUDHWBXSA-N 1 0 224.304 0.952 20 30 BCEDRO C#CCNC(=O)N(CC[NH+](C)C)C(C)C ZINC000158900474 166176260 /nfs/dbraw/zinc/17/62/60/166176260.db2.gz OTKLPQNJVSLJHG-UHFFFAOYSA-N 1 0 211.309 0.601 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000083018426 166177491 /nfs/dbraw/zinc/17/74/91/166177491.db2.gz SKCSVOOZLMDVCQ-NSHDSACASA-N 1 0 223.320 0.603 20 30 BCEDRO C#CCNC(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000176484825 166178923 /nfs/dbraw/zinc/17/89/23/166178923.db2.gz WKHJLVXAPNJWMP-VHSXEESVSA-N 1 0 221.304 0.544 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCc1ccc(F)cc1 ZINC000095081759 166187493 /nfs/dbraw/zinc/18/74/93/166187493.db2.gz HYZJPSMUYHDOQU-UHFFFAOYSA-N 1 0 234.274 0.707 20 30 BCEDRO C#CCOc1ccccc1C[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000278413041 166200513 /nfs/dbraw/zinc/20/05/13/166200513.db2.gz QGDWNCSTLFETOQ-STQMWFEESA-N 1 0 247.294 0.236 20 30 BCEDRO C#C[C@@H](C)NC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000274789804 166210550 /nfs/dbraw/zinc/21/05/50/166210550.db2.gz YAVYSOSOXBIMFN-GHMZBOCLSA-N 1 0 224.304 0.093 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000289577775 166211911 /nfs/dbraw/zinc/21/19/11/166211911.db2.gz SXTUISLNBOBIMH-SECBINFHSA-N 1 0 204.277 0.654 20 30 BCEDRO C=CCCC[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000271533248 166235034 /nfs/dbraw/zinc/23/50/34/166235034.db2.gz YAKBKCQJANHQHY-UHFFFAOYSA-N 1 0 227.304 0.953 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@](C)(O)C(=O)OCC ZINC000276515599 166256015 /nfs/dbraw/zinc/25/60/15/166256015.db2.gz YAVHBOGRRJRJRT-LLVKDONJSA-N 1 0 215.293 0.808 20 30 BCEDRO C=CCC[N@@H+](C)CCC(=O)NCC(=O)OC ZINC000276488234 166256260 /nfs/dbraw/zinc/25/62/60/166256260.db2.gz UMGLBMAUBHDKCU-UHFFFAOYSA-N 1 0 228.292 0.174 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCC[C@H](C)[NH3+] ZINC000178700885 166275145 /nfs/dbraw/zinc/27/51/45/166275145.db2.gz BLVFHDFDXBPLDA-VHSXEESVSA-N 1 0 214.309 0.821 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000274848827 166274378 /nfs/dbraw/zinc/27/43/78/166274378.db2.gz YAQBKLATRKVPMJ-GHMZBOCLSA-N 1 0 242.319 0.154 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CCC[C@H]1C[NH3+] ZINC000160386272 166274315 /nfs/dbraw/zinc/27/43/15/166274315.db2.gz BWACJNXIBYBARO-MNOVXSKESA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274848830 166274741 /nfs/dbraw/zinc/27/47/41/166274741.db2.gz YAQBKLATRKVPMJ-MNOVXSKESA-N 1 0 242.319 0.154 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000269114792 166275470 /nfs/dbraw/zinc/27/54/70/166275470.db2.gz HBASEXTXQONAGG-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000127878524 166289505 /nfs/dbraw/zinc/28/95/05/166289505.db2.gz WLSQENZNGDZWNY-NXEZZACHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274887167 166297009 /nfs/dbraw/zinc/29/70/09/166297009.db2.gz OWYADFRRNNHHRJ-LLVKDONJSA-N 1 0 249.314 0.455 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000268461562 166297416 /nfs/dbraw/zinc/29/74/16/166297416.db2.gz KOIMCIMXNPRRQD-GHMZBOCLSA-N 1 0 228.336 0.627 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+](CC(N)=O)C(C)C ZINC000268531781 166298527 /nfs/dbraw/zinc/29/85/27/166298527.db2.gz FNNOFMSAAYOZDU-SNVBAGLBSA-N 1 0 214.309 0.509 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@](C)(C(N)=O)C(C)C ZINC000289273492 166303055 /nfs/dbraw/zinc/30/30/55/166303055.db2.gz FJLUDLRXOBNPEF-CMPLNLGQSA-N 1 0 228.336 0.803 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)CC(=O)N(C)C ZINC000268660021 166303503 /nfs/dbraw/zinc/30/35/03/166303503.db2.gz RAYMVKUOTSGHIC-JTQLQIEISA-N 1 0 214.309 0.334 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@](C)(C(N)=O)C(C)C ZINC000289273494 166303599 /nfs/dbraw/zinc/30/35/99/166303599.db2.gz FJLUDLRXOBNPEF-JQWIXIFHSA-N 1 0 228.336 0.803 20 30 BCEDRO C=CCN(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000274963128 166314061 /nfs/dbraw/zinc/31/40/61/166314061.db2.gz BDVCGRKRWCYHFU-UHFFFAOYSA-N 1 0 211.309 0.908 20 30 BCEDRO C=CCN(C)C(=O)NC1CC[NH+](C)CC1 ZINC000155260226 166314926 /nfs/dbraw/zinc/31/49/26/166314926.db2.gz OKFDLGZRJMSWMG-UHFFFAOYSA-N 1 0 211.309 0.908 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H](O)COCCOC(C)C ZINC000078761535 166321636 /nfs/dbraw/zinc/32/16/36/166321636.db2.gz SLIIMKXYBPIQNV-GFCCVEGCSA-N 1 0 231.336 0.907 20 30 BCEDRO C=CC[NH+](CC=C)C[C@@](C)(O)C(=O)OCC ZINC000274145549 166336106 /nfs/dbraw/zinc/33/61/06/166336106.db2.gz BFABTYHWRNLWED-GFCCVEGCSA-N 1 0 227.304 0.975 20 30 BCEDRO C=CC[N@@H+](CCCOC(=O)NC(N)=O)C1CC1 ZINC000271378847 166341932 /nfs/dbraw/zinc/34/19/32/166341932.db2.gz HZTOBAPJMKOXAZ-UHFFFAOYSA-N 1 0 241.291 0.832 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)NCC)CC1 ZINC000264450300 166353097 /nfs/dbraw/zinc/35/30/97/166353097.db2.gz YNERHHYFFROMRT-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CC[N@H+]1CCC[C@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266264528 166355021 /nfs/dbraw/zinc/35/50/21/166355021.db2.gz YNQUXWVSSQKKMV-VIFPVBQESA-N 1 0 234.303 0.874 20 30 BCEDRO C=CCN1CC[N@@H+](CC=C)C[C@H]1C(=O)N(C)C ZINC000268485278 166355629 /nfs/dbraw/zinc/35/56/29/166355629.db2.gz MJUSOLHXFKLXPT-LBPRGKRZSA-N 1 0 237.347 0.433 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CN2CCOCC2)C1 ZINC000363566064 166357902 /nfs/dbraw/zinc/35/79/02/166357902.db2.gz MCHZWAFVCZEPBP-LBPRGKRZSA-N 1 0 210.321 0.827 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CN2CCOCC2)C1 ZINC000363566063 166358233 /nfs/dbraw/zinc/35/82/33/166358233.db2.gz MCHZWAFVCZEPBP-GFCCVEGCSA-N 1 0 210.321 0.827 20 30 BCEDRO C=CCNC(=O)C1(n2cccn2)CC[NH2+]CC1 ZINC000261968955 166363033 /nfs/dbraw/zinc/36/30/33/166363033.db2.gz QJYTTYLPDIZXED-UHFFFAOYSA-N 1 0 234.303 0.264 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CC(=O)OC ZINC000179129387 166365451 /nfs/dbraw/zinc/36/54/51/166365451.db2.gz ORRBGSKJQDRTEP-SNVBAGLBSA-N 1 0 240.303 0.316 20 30 BCEDRO C=CCNC(=O)CN1CC[NH2+]C[C@@H]1CCC ZINC000359057914 166366063 /nfs/dbraw/zinc/36/60/63/166366063.db2.gz OCWZTIAEGJFUJS-NSHDSACASA-N 1 0 225.336 0.363 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000275507180 166368737 /nfs/dbraw/zinc/36/87/37/166368737.db2.gz SBCCQMCBCFQQAN-SNVBAGLBSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](COCC)C1 ZINC000176339951 166368750 /nfs/dbraw/zinc/36/87/50/166368750.db2.gz UNBSJNGARUFNSP-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CO)C1CCCC1 ZINC000289478695 166370610 /nfs/dbraw/zinc/37/06/10/166370610.db2.gz IOCHGDDGPITBLU-LLVKDONJSA-N 1 0 226.320 0.429 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@@H]1CCSC1 ZINC000278617026 166370807 /nfs/dbraw/zinc/37/08/07/166370807.db2.gz DIOYQRAYPCSMSL-VIFPVBQESA-N 1 0 214.334 0.631 20 30 BCEDRO C=CCNC(=O)NCC[N@@H+](C)CCOC ZINC000263746233 166376187 /nfs/dbraw/zinc/37/61/87/166376187.db2.gz JJFCJDPZBIEXCL-UHFFFAOYSA-N 1 0 215.297 0.050 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)C1 ZINC000263680434 166376802 /nfs/dbraw/zinc/37/68/02/166376802.db2.gz ICMKEQHNIPKIEN-ZJUUUORDSA-N 1 0 239.319 0.729 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](O)(C2CC2)C1 ZINC000365105910 166381965 /nfs/dbraw/zinc/38/19/65/166381965.db2.gz BQTBZHXFOGLVAG-ZWNOBZJWSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@@H](C)CO ZINC000164891664 166388599 /nfs/dbraw/zinc/38/85/99/166388599.db2.gz BSBFUYCYXDWHFA-AEJSXWLSSA-N 1 0 214.309 0.284 20 30 BCEDRO C=CCNC(=O)c1cc([C@@H]2CC[NH2+]C2)n[nH]1 ZINC000278289917 166391953 /nfs/dbraw/zinc/39/19/53/166391953.db2.gz AAIHKFVQWLSROK-MRVPVSSYSA-N 1 0 220.276 0.402 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661620550 411070147 /nfs/dbraw/zinc/07/01/47/411070147.db2.gz BDJMCWJGMOPAEH-KXNHARMFSA-N 1 0 213.321 0.872 20 30 BCEDRO C[N@H+](C[C@H](O)CNCC1(C#N)CC1)C1CC1 ZINC000591764693 411130296 /nfs/dbraw/zinc/13/02/96/411130296.db2.gz LXZFTDRWTPYUHH-LLVKDONJSA-N 1 0 223.320 0.335 20 30 BCEDRO Cc1nccn1CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152513 411132400 /nfs/dbraw/zinc/13/24/00/411132400.db2.gz YLWXJOCGDPGKJJ-CYBMUJFWSA-N 1 0 248.330 0.932 20 30 BCEDRO C=CCCn1cc(CN2CC[C@@H]([NH3+])C2)nn1 ZINC000655937058 411159607 /nfs/dbraw/zinc/15/96/07/411159607.db2.gz SINVOINVVHEUNT-SNVBAGLBSA-N 1 0 221.308 0.387 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[NH+]1CCCC1 ZINC000665532044 411110381 /nfs/dbraw/zinc/11/03/81/411110381.db2.gz YKWHPXDKVLZMBN-LLVKDONJSA-N 1 0 212.293 0.135 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)Cn1cncn1 ZINC000657936325 411173074 /nfs/dbraw/zinc/17/30/74/411173074.db2.gz FKMNKLGNSFIGDL-QWRGUYRKSA-N 1 0 224.308 0.441 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)Cn1cncn1 ZINC000657936327 411173108 /nfs/dbraw/zinc/17/31/08/411173108.db2.gz FKMNKLGNSFIGDL-WDEREUQCSA-N 1 0 224.308 0.441 20 30 BCEDRO C=CCCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000659563616 411176100 /nfs/dbraw/zinc/17/61/00/411176100.db2.gz YHUYCDIBNYDHOK-ZJUUUORDSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCCn2nccc21 ZINC000657954455 411180051 /nfs/dbraw/zinc/18/00/51/411180051.db2.gz ZKJDLUMZSABGTO-JTQLQIEISA-N 1 0 234.303 0.610 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000660025949 411181666 /nfs/dbraw/zinc/18/16/66/411181666.db2.gz CILGSFROYXUOAG-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@H](C)Cn1cncn1 ZINC000658032671 411210451 /nfs/dbraw/zinc/21/04/51/411210451.db2.gz VZGWQPNOXBOIIM-MNOVXSKESA-N 1 0 224.308 0.583 20 30 BCEDRO C#C[C@H](C)N(C)c1cc(-n2cccn2)nc(N)[nH+]1 ZINC000491617886 411224600 /nfs/dbraw/zinc/22/46/00/411224600.db2.gz CZKSUHMXKBZPAD-VIFPVBQESA-N 1 0 242.286 0.702 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)[C@H](C)[NH+](C)C ZINC000653943459 411241946 /nfs/dbraw/zinc/24/19/46/411241946.db2.gz JVIPKZUMRNEKAK-AXFHLTTASA-N 1 0 226.320 0.786 20 30 BCEDRO C=CCN(CC=C)C(=O)N[C@@H](C)C[NH2+]C ZINC000659639161 411274700 /nfs/dbraw/zinc/27/47/00/411274700.db2.gz AQNTWDJHILEVMV-JTQLQIEISA-N 1 0 211.309 0.978 20 30 BCEDRO C=CCN(CC=C)C(=O)N[C@H](C)C[NH2+]C ZINC000659639164 411275006 /nfs/dbraw/zinc/27/50/06/411275006.db2.gz AQNTWDJHILEVMV-SNVBAGLBSA-N 1 0 211.309 0.978 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)C1 ZINC000602532220 411296011 /nfs/dbraw/zinc/29/60/11/411296011.db2.gz DYNFFMPSJTUWSK-NWDGAFQWSA-N 1 0 237.303 0.127 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000656581497 411304097 /nfs/dbraw/zinc/30/40/97/411304097.db2.gz YFWSOMISKXYIBN-WOPDTQHZSA-N 1 0 236.315 0.378 20 30 BCEDRO C=CCn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000656445336 411253459 /nfs/dbraw/zinc/25/34/59/411253459.db2.gz BVAYXPRBBQUUJN-UHFFFAOYSA-N 1 0 221.308 0.212 20 30 BCEDRO C=CCn1cc([C@H]([NH3+])[C@H]2CCCO2)nn1 ZINC000656445849 411254429 /nfs/dbraw/zinc/25/44/29/411254429.db2.gz WZSQRBPAKPQRDO-ZJUUUORDSA-N 1 0 208.265 0.643 20 30 BCEDRO C=CCOCCCNC(=O)C(C)(C)[NH3+] ZINC000658954252 411363920 /nfs/dbraw/zinc/36/39/20/411363920.db2.gz CEWWUENVVIMNTA-UHFFFAOYSA-N 1 0 200.282 0.433 20 30 BCEDRO C=CCCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000659336744 411365139 /nfs/dbraw/zinc/36/51/39/411365139.db2.gz CGIOKEWRELEPPV-VIFPVBQESA-N 1 0 200.282 0.431 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)[C@H](C)[NH+](C)C ZINC000654297443 411367099 /nfs/dbraw/zinc/36/70/99/411367099.db2.gz BOUHOWATNIIQQS-UWVGGRQHSA-N 1 0 214.309 0.380 20 30 BCEDRO C=CCN(C(=O)CC[NH3+])[C@H](C)COC ZINC000659340812 411369579 /nfs/dbraw/zinc/36/95/79/411369579.db2.gz XTBFAAUPXDUOSL-SECBINFHSA-N 1 0 200.282 0.385 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NCC(F)(F)F ZINC000662166251 411370365 /nfs/dbraw/zinc/37/03/65/411370365.db2.gz XJYPIPGNQYEWFX-NKWVEPMBSA-N 1 0 240.225 0.190 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC000662168798 411371898 /nfs/dbraw/zinc/37/18/98/411371898.db2.gz VIKFWGGCCAVAMH-VHSXEESVSA-N 1 0 212.293 0.039 20 30 BCEDRO C=CCOCCCNC(=O)C[C@H]1COCC[NH2+]1 ZINC000659358769 411374767 /nfs/dbraw/zinc/37/47/67/411374767.db2.gz LHHXDWOYUQWKOY-NSHDSACASA-N 1 0 242.319 0.074 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1CCC[NH2+]1 ZINC000659358629 411374882 /nfs/dbraw/zinc/37/48/82/411374882.db2.gz KADIFEOSLBNVLL-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO C#CC[N@@H+](CC[C@@H]1CCNC1=O)C1CC1 ZINC000491452224 411393392 /nfs/dbraw/zinc/39/33/92/411393392.db2.gz JSMQVXJKVRZGDE-JTQLQIEISA-N 1 0 206.289 0.610 20 30 BCEDRO C=CCCC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000405193187 411419619 /nfs/dbraw/zinc/41/96/19/411419619.db2.gz VLCRNWVRCRCPNT-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCN(C(=O)NCC[NH3+])[C@@H](C)COC ZINC000659507242 411424169 /nfs/dbraw/zinc/42/41/69/411424169.db2.gz GZLUNBQGWAEFTC-VIFPVBQESA-N 1 0 215.297 0.178 20 30 BCEDRO C=CCOCCCNC(=O)NCC[NH2+]C ZINC000659514225 411425352 /nfs/dbraw/zinc/42/53/52/411425352.db2.gz FWHOZBPFJYCUBM-UHFFFAOYSA-N 1 0 215.297 0.098 20 30 BCEDRO C=CCOCCCNC(=O)NCC[NH2+]CC ZINC000659514265 411426595 /nfs/dbraw/zinc/42/65/95/411426595.db2.gz GXPNQSZNHACVML-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@H]([NH3+])CC ZINC000659547548 411434007 /nfs/dbraw/zinc/43/40/07/411434007.db2.gz COPSBYYADHEDQH-SNVBAGLBSA-N 1 0 229.324 0.616 20 30 BCEDRO C=CCOCCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000659552141 411434687 /nfs/dbraw/zinc/43/46/87/411434687.db2.gz XRDFZXWAIPXELS-UWVGGRQHSA-N 1 0 229.324 0.614 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000659562682 411435890 /nfs/dbraw/zinc/43/58/90/411435890.db2.gz LJUMSCZUBORQQE-QWRGUYRKSA-N 1 0 223.320 0.956 20 30 BCEDRO C=CCCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000659562078 411436112 /nfs/dbraw/zinc/43/61/12/411436112.db2.gz FSLFIZOBTZULEU-VHSXEESVSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@@H](C)[C@H](C)CO)nn1 ZINC000653615290 411440628 /nfs/dbraw/zinc/44/06/28/411440628.db2.gz ATXLCKWLIUCDDB-MNOVXSKESA-N 1 0 238.335 0.961 20 30 BCEDRO C=CCCCNC(=O)C(=O)N(C)CC(C)(C)[NH3+] ZINC000659685008 411447630 /nfs/dbraw/zinc/44/76/30/411447630.db2.gz NSWFLTMGJVCBSA-UHFFFAOYSA-N 1 0 241.335 0.265 20 30 BCEDRO C=CCOCCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000659516183 411469943 /nfs/dbraw/zinc/46/99/43/411469943.db2.gz GNMNDEBLRYKCCX-LLVKDONJSA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCN(C(=O)NCC(C)(C)[NH3+])[C@@H](C)COC ZINC000659520392 411475203 /nfs/dbraw/zinc/47/52/03/411475203.db2.gz IPDNXWBTSRHNDG-JTQLQIEISA-N 1 0 243.351 0.956 20 30 BCEDRO C=CCCn1cc(C[NH2+]CC(C)(C)O)nn1 ZINC000657356706 411477732 /nfs/dbraw/zinc/47/77/32/411477732.db2.gz POOKDQOSWPIFGB-UHFFFAOYSA-N 1 0 224.308 0.715 20 30 BCEDRO C=CCN(C(=O)NC[C@@H](C)C[NH3+])[C@H](C)COC ZINC000659525402 411483310 /nfs/dbraw/zinc/48/33/10/411483310.db2.gz FUTDQYKPNCVOIC-WDEREUQCSA-N 1 0 243.351 0.814 20 30 BCEDRO C=CCN(C(=O)NCC1C[NH2+]C1)[C@H](C)COC ZINC000659529245 411486172 /nfs/dbraw/zinc/48/61/72/411486172.db2.gz ZUFJNOAHJAWIHQ-SNVBAGLBSA-N 1 0 241.335 0.438 20 30 BCEDRO CC(C)[NH+]1CCC(C(=O)NCC#CCO)CC1 ZINC000655057613 411487872 /nfs/dbraw/zinc/48/78/72/411487872.db2.gz RCTWJCQHMIRKHU-UHFFFAOYSA-N 1 0 238.331 0.219 20 30 BCEDRO C=CCN(C(=O)N[C@H](C)CC[NH3+])[C@@H](C)COC ZINC000659530535 411490057 /nfs/dbraw/zinc/49/00/57/411490057.db2.gz SVYFBMIKVWRXOO-MNOVXSKESA-N 1 0 243.351 0.956 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cc2n(n1)CCC2 ZINC000657436391 411508792 /nfs/dbraw/zinc/50/87/92/411508792.db2.gz TZVSZRPLORDAOL-JTQLQIEISA-N 1 0 221.304 0.856 20 30 BCEDRO CC[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000175389804 170015764 /nfs/dbraw/zinc/01/57/64/170015764.db2.gz BCVKWMJCNOKVDZ-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000660187269 411552526 /nfs/dbraw/zinc/55/25/26/411552526.db2.gz CZIBUZGYRTWYAK-NSHDSACASA-N 1 0 246.376 0.822 20 30 BCEDRO Cc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)no1 ZINC000579342735 411625779 /nfs/dbraw/zinc/62/57/79/411625779.db2.gz UPUXMFDIWRESFL-QMMMGPOBSA-N 1 0 222.248 0.943 20 30 BCEDRO COCC#CC[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000660568331 411601718 /nfs/dbraw/zinc/60/17/18/411601718.db2.gz XGNMFZQTLZULPG-UHFFFAOYSA-N 1 0 249.318 0.216 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CON(CC)C1=O ZINC000660722468 411618831 /nfs/dbraw/zinc/61/88/31/411618831.db2.gz IVXWJHQVGZBOMF-BBBLOLIVSA-N 1 0 226.276 0.082 20 30 BCEDRO Cc1ccc(NCC[N@@H+]2CC[C@H](O)C2)nc1C#N ZINC000599198910 411692459 /nfs/dbraw/zinc/69/24/59/411692459.db2.gz ARTHHSJKILYUSW-NSHDSACASA-N 1 0 246.314 0.740 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)COCC)[C@H](C)COC ZINC000661242592 411742599 /nfs/dbraw/zinc/74/25/99/411742599.db2.gz CUHRQPQVZPZISA-NEPJUHHUSA-N 1 0 231.336 0.907 20 30 BCEDRO CC[C@@H]1[C@@H](C(=O)Nc2n[nH]cc2C#N)CC[N@@H+]1C ZINC000601636989 411742876 /nfs/dbraw/zinc/74/28/76/411742876.db2.gz RJTQTGFWNOEHHA-VHSXEESVSA-N 1 0 247.302 0.950 20 30 BCEDRO C=CC[N@@H+](C[C@@H](O)COCC)[C@H](C)COC ZINC000661242597 411743863 /nfs/dbraw/zinc/74/38/63/411743863.db2.gz CUHRQPQVZPZISA-VXGBXAGGSA-N 1 0 231.336 0.907 20 30 BCEDRO Cc1nc(NC[C@@H]2C[NH2+]CCCO2)ccc1C#N ZINC000333506245 411747930 /nfs/dbraw/zinc/74/79/30/411747930.db2.gz DGNYWHGKQGDGRC-LBPRGKRZSA-N 1 0 246.314 1.052 20 30 BCEDRO C=C[C@H](CO)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000661359271 411755174 /nfs/dbraw/zinc/75/51/74/411755174.db2.gz IGUGBIPLGADSGK-MXWKQRLJSA-N 1 0 241.335 0.173 20 30 BCEDRO CCc1cc(NC(=O)[C@@H]([NH3+])CCCCC#N)n[nH]1 ZINC000594468054 411763564 /nfs/dbraw/zinc/76/35/64/411763564.db2.gz IOFLRRPAGHKCLL-JTQLQIEISA-N 1 0 249.318 1.322 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@](CO)(OC)C1 ZINC000661388568 411765336 /nfs/dbraw/zinc/76/53/36/411765336.db2.gz BMUQOLHEMOFSLP-RYUDHWBXSA-N 1 0 229.320 0.397 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@](CO)(OC)C1 ZINC000661392924 411767250 /nfs/dbraw/zinc/76/72/50/411767250.db2.gz JBKILPCWVNORRF-GFCCVEGCSA-N 1 0 227.304 0.110 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@](CO)(OC)C1 ZINC000661393285 411767533 /nfs/dbraw/zinc/76/75/33/411767533.db2.gz JROMKKNPGAFCAV-CHWSQXEVSA-N 1 0 243.347 0.787 20 30 BCEDRO CCSCC[NH2+]CCn1cnc(C#N)n1 ZINC000336774051 170636098 /nfs/dbraw/zinc/63/60/98/170636098.db2.gz ZLMFEVYAUCRWLH-UHFFFAOYSA-N 1 0 225.321 0.492 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@H](COC)C1CCOCC1 ZINC000661158162 411722099 /nfs/dbraw/zinc/72/20/99/411722099.db2.gz MQYLNZFDUAURHF-CHWSQXEVSA-N 1 0 243.347 0.955 20 30 BCEDRO CCn1ccc(NC(=O)[C@@H]([NH3+])CCCCC#N)n1 ZINC000595255115 411808864 /nfs/dbraw/zinc/80/88/64/411808864.db2.gz JUIYMCXDIAWJHP-JTQLQIEISA-N 1 0 249.318 1.253 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661595515 411810705 /nfs/dbraw/zinc/81/07/05/411810705.db2.gz CFZTUADJRHXKQT-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C[C@@H](CCNc1nccnc1C#N)[NH+](C)C ZINC000596434974 411816234 /nfs/dbraw/zinc/81/62/34/411816234.db2.gz YJFZKYHADZNPRH-VIFPVBQESA-N 1 0 219.292 1.100 20 30 BCEDRO C[C@@H]([NH3+])CNc1nc(C#N)c(Cl)s1 ZINC000596014049 411819758 /nfs/dbraw/zinc/81/97/58/411819758.db2.gz LEOFWQZECWGTCW-SCSAIBSYSA-N 1 0 216.697 1.427 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@](O)(C2CC2)C1 ZINC000661637828 411828080 /nfs/dbraw/zinc/82/80/80/411828080.db2.gz ZAUFXGXGFKTJCV-CYBMUJFWSA-N 1 0 238.331 0.526 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@](O)(C2CC2)C1 ZINC000661637830 411828201 /nfs/dbraw/zinc/82/82/01/411828201.db2.gz ZAUFXGXGFKTJCV-ZDUSSCGKSA-N 1 0 238.331 0.526 20 30 BCEDRO Cn1ccc(NC(=O)[C@H]([NH3+])CCCCC#N)n1 ZINC000594424561 411846086 /nfs/dbraw/zinc/84/60/86/411846086.db2.gz BBPCSLVKRXLQEY-SECBINFHSA-N 1 0 235.291 0.770 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661702479 411847048 /nfs/dbraw/zinc/84/70/48/411847048.db2.gz PZJJFAUTIREODI-ZYHUDNBSSA-N 1 0 224.304 0.257 20 30 BCEDRO C=C[C@H](CO)Nc1cc(-n2cccn2)nc(N)[nH+]1 ZINC000357608299 411852896 /nfs/dbraw/zinc/85/28/96/411852896.db2.gz QXXJIBDLHYNTPP-MRVPVSSYSA-N 1 0 246.274 0.203 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000661714369 411855474 /nfs/dbraw/zinc/85/54/74/411855474.db2.gz YMQBVHFBQCBHHO-JBLDHEPKSA-N 1 0 224.304 0.134 20 30 BCEDRO COCC#CC[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662143255 411987290 /nfs/dbraw/zinc/98/72/90/411987290.db2.gz LJNNPZKOFQCIGP-RYUDHWBXSA-N 1 0 211.305 0.587 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N[C@H](C)CC ZINC000662165579 412014631 /nfs/dbraw/zinc/01/46/31/412014631.db2.gz JPZPZGDUZCQILE-KXUCPTDWSA-N 1 0 214.309 0.426 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCn1nc(C)cc1C ZINC000662165500 412015249 /nfs/dbraw/zinc/01/52/49/412015249.db2.gz HYTQUHDLTDMOII-LLVKDONJSA-N 1 0 209.293 0.636 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N(C)C(C)C ZINC000662167065 412016075 /nfs/dbraw/zinc/01/60/75/412016075.db2.gz QRHNHJHNRSRMFJ-NXEZZACHSA-N 1 0 214.309 0.378 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(C)CC(F)(F)F ZINC000662166827 412016150 /nfs/dbraw/zinc/01/61/50/412016150.db2.gz IJHPTVRUUJBKOP-SSDOTTSWSA-N 1 0 240.225 0.144 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(C(C)C)C(C)C ZINC000662167400 412016229 /nfs/dbraw/zinc/01/62/29/412016229.db2.gz CJBSKDRXJIBCDK-LLVKDONJSA-N 1 0 228.336 0.768 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N[C@H]1CCCC[C@@H]1C ZINC000662167404 412016444 /nfs/dbraw/zinc/01/64/44/412016444.db2.gz CKKLCLSZFIPSCR-TUAOUCFPSA-N 1 0 240.347 0.818 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(CCC)CCC ZINC000662167757 412016798 /nfs/dbraw/zinc/01/67/98/412016798.db2.gz OSXAGIASDKSAPQ-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@@H]2CCCC[C@@H]2NC1=O ZINC000662168941 412017923 /nfs/dbraw/zinc/01/79/23/412017923.db2.gz ZOSKESXWZQMKTK-WHOHXGKFSA-N 1 0 238.331 0.570 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](CC)C1 ZINC000044823681 171217666 /nfs/dbraw/zinc/21/76/66/171217666.db2.gz AJBQRXXPGWMKRP-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CC2CC1(C[NH3+])C2 ZINC000662308191 412092393 /nfs/dbraw/zinc/09/23/93/412092393.db2.gz OWSQFRSLQLQVKR-UHFFFAOYSA-N 1 0 249.358 0.610 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662322228 412100248 /nfs/dbraw/zinc/10/02/48/412100248.db2.gz RVEQFGSEFYJOOL-IVZWLZJFSA-N 1 0 229.299 0.048 20 30 BCEDRO CC[C@H](COC)[NH2+]CCn1cnc(C#N)n1 ZINC000287457452 171459097 /nfs/dbraw/zinc/45/90/97/171459097.db2.gz LRRTXQTZVFIVME-SECBINFHSA-N 1 0 223.280 0.164 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000665201691 412133796 /nfs/dbraw/zinc/13/37/96/412133796.db2.gz JAIJRLZERBLBGT-OLZOCXBDSA-N 1 0 248.326 0.952 20 30 BCEDRO C=CCC[NH2+][C@@H](C1CC1)[C@@H]1CNCCO1 ZINC000665237839 412178913 /nfs/dbraw/zinc/17/89/13/412178913.db2.gz KYADOZJJYWQKCT-RYUDHWBXSA-N 1 0 210.321 0.919 20 30 BCEDRO C=CC[C@]1(C(=O)N2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000662458848 412181008 /nfs/dbraw/zinc/18/10/08/412181008.db2.gz SARMUUFNHNZAQV-DGCLKSJQSA-N 1 0 238.331 0.932 20 30 BCEDRO C[NH+](C)[C@@H](CNc1cc(C#N)cnn1)C1CC1 ZINC000596114616 412193406 /nfs/dbraw/zinc/19/34/06/412193406.db2.gz LDXVHBANHJIEBY-NSHDSACASA-N 1 0 231.303 1.100 20 30 BCEDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1cc(C#N)cnn1 ZINC000596201936 412194241 /nfs/dbraw/zinc/19/42/41/412194241.db2.gz MIDRKSJXUAPSMB-QWRGUYRKSA-N 1 0 231.303 1.243 20 30 BCEDRO C[C@H](CNc1cc(C#N)ncn1)C[NH+](C)C ZINC000381359590 412206978 /nfs/dbraw/zinc/20/69/78/412206978.db2.gz DPWNRHMQBGBNEN-SECBINFHSA-N 1 0 219.292 0.958 20 30 BCEDRO C[C@@H]1C[C@@H](Nc2ccc(C#N)c(N)n2)CC[N@@H+]1C ZINC000573578101 412148915 /nfs/dbraw/zinc/14/89/15/412148915.db2.gz FQCYRNBDVFKVTO-KOLCDFICSA-N 1 0 245.330 1.430 20 30 BCEDRO C[NH+](C)C(C)(C)CNC(=O)Nc1nncs1 ZINC000330433653 412153254 /nfs/dbraw/zinc/15/32/54/412153254.db2.gz PELCSVWOBUKKHI-UHFFFAOYSA-N 1 0 243.336 1.204 20 30 BCEDRO C[NH+](C)CC(C)(C)CNc1cc(C#N)ncn1 ZINC000393865258 412155022 /nfs/dbraw/zinc/15/50/22/412155022.db2.gz TUCTYGRVSVGQSQ-UHFFFAOYSA-N 1 0 233.319 1.348 20 30 BCEDRO C[NH+](C)CCCCNC(=O)Nc1nncs1 ZINC000330463455 412155028 /nfs/dbraw/zinc/15/50/28/412155028.db2.gz ZLKHGANMKGHALD-UHFFFAOYSA-N 1 0 243.336 1.206 20 30 BCEDRO C=CC[C@@]1(C(=O)NC[C@H]2CCCO2)CCC[NH2+]1 ZINC000662432305 412169588 /nfs/dbraw/zinc/16/95/88/412169588.db2.gz PBHZMGYNEVPVJN-YPMHNXCESA-N 1 0 238.331 0.980 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000662662680 412262547 /nfs/dbraw/zinc/26/25/47/412262547.db2.gz BWYSYPTYHJDDEO-YPMHNXCESA-N 1 0 238.331 0.695 20 30 BCEDRO C=CCOCCCNC(=O)C[NH2+]CC1CC1 ZINC000662664135 412263223 /nfs/dbraw/zinc/26/32/23/412263223.db2.gz OUOHOHFNFMVUPA-UHFFFAOYSA-N 1 0 226.320 0.695 20 30 BCEDRO C[C@H]1C[C@H](Nc2ccc(C#N)c(N)n2)CC[N@@H+]1C ZINC000573578100 412270363 /nfs/dbraw/zinc/27/03/63/412270363.db2.gz FQCYRNBDVFKVTO-GXSJLCMTSA-N 1 0 245.330 1.430 20 30 BCEDRO N#Cc1ccnc(NCCC[C@@H]2CCC[NH2+]2)n1 ZINC000420279687 412278246 /nfs/dbraw/zinc/27/82/46/412278246.db2.gz KNPAZTWIAGYNHD-JTQLQIEISA-N 1 0 231.303 1.292 20 30 BCEDRO C=CCOCCNC(=O)[C@H](CC)[NH2+]C ZINC000662711832 412279883 /nfs/dbraw/zinc/27/98/83/412279883.db2.gz PFEFLFJSTXDGJJ-VIFPVBQESA-N 1 0 200.282 0.303 20 30 BCEDRO C=CC[C@@]1(C(=O)NCc2nccn2C)CCC[NH2+]1 ZINC000662718395 412281955 /nfs/dbraw/zinc/28/19/55/412281955.db2.gz ZOGDFBPHAGUHRQ-ZDUSSCGKSA-N 1 0 248.330 0.735 20 30 BCEDRO C[N@@H+]1CCCC[C@@H](CNc2ccc(C#N)nn2)C1 ZINC000599140563 412251808 /nfs/dbraw/zinc/25/18/08/412251808.db2.gz VSQUGQXOJAXJGS-NSHDSACASA-N 1 0 245.330 1.492 20 30 BCEDRO C[N@@H+]1CCC[C@H](CCNc2nccc(C#N)n2)C1 ZINC000413437204 412252957 /nfs/dbraw/zinc/25/29/57/412252957.db2.gz JTYHYTUDIAOGAX-LLVKDONJSA-N 1 0 245.330 1.492 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@@H]2CO[C@@H](C)C2)CCC[NH2+]1 ZINC000662822479 412311788 /nfs/dbraw/zinc/31/17/88/412311788.db2.gz AXYVGSSCINOGCH-GMXVVIOVSA-N 1 0 238.331 0.978 20 30 BCEDRO C=CCN(C(=O)[C@H]([NH3+])CC)[C@H](C)COC ZINC000662853000 412322697 /nfs/dbraw/zinc/32/26/97/412322697.db2.gz BMZWLWLXMPUQDG-NXEZZACHSA-N 1 0 214.309 0.773 20 30 BCEDRO C=CC[C@@]1(C(=O)NC/C=C/CO)CCC[NH2+]1 ZINC000662858824 412326825 /nfs/dbraw/zinc/32/68/25/412326825.db2.gz IJSRKUXAOMZGTG-PCAWENJQSA-N 1 0 224.304 0.349 20 30 BCEDRO C=CCC1(NC(=O)[C@@H]([NH3+])CC)CCOCC1 ZINC000662873174 412330514 /nfs/dbraw/zinc/33/05/14/412330514.db2.gz GNSWNNQSQHLUFP-JTQLQIEISA-N 1 0 226.320 0.965 20 30 BCEDRO C=CCC1(NC(=O)[C@H]([NH3+])CC)CCOCC1 ZINC000662873175 412330571 /nfs/dbraw/zinc/33/05/71/412330571.db2.gz GNSWNNQSQHLUFP-SNVBAGLBSA-N 1 0 226.320 0.965 20 30 BCEDRO C=CCn1cc(C(=O)N2CC3CC2(C[NH3+])C3)nn1 ZINC000662876139 412332982 /nfs/dbraw/zinc/33/29/82/412332982.db2.gz QYLAZILPKAFILX-UHFFFAOYSA-N 1 0 247.302 0.027 20 30 BCEDRO C=CCC1(NC(=O)C[C@@H](C)[NH3+])CCOCC1 ZINC000662875869 412333371 /nfs/dbraw/zinc/33/33/71/412333371.db2.gz XXOMDGQZGDWZCQ-SNVBAGLBSA-N 1 0 226.320 0.965 20 30 BCEDRO CCC(CC)[NH2+]CCNc1ccc(C#N)nn1 ZINC000599098478 412336250 /nfs/dbraw/zinc/33/62/50/412336250.db2.gz VPHGBVYQWLJNDO-UHFFFAOYSA-N 1 0 233.319 1.538 20 30 BCEDRO CCC(CC)[NH2+]CCNc1nccnc1C#N ZINC000599098199 412336570 /nfs/dbraw/zinc/33/65/70/412336570.db2.gz QVRZRVSKKCGYIG-UHFFFAOYSA-N 1 0 233.319 1.538 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC1CC[NH+](C)CC1 ZINC000665509473 412339720 /nfs/dbraw/zinc/33/97/20/412339720.db2.gz KKOHSYWURZUJMK-LLVKDONJSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000665520137 412344517 /nfs/dbraw/zinc/34/45/17/412344517.db2.gz MTFHQFVMIBUGAG-LBPRGKRZSA-N 1 0 247.298 0.277 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1[NH2+]CCC1(C)C ZINC000662922956 412346064 /nfs/dbraw/zinc/34/60/64/412346064.db2.gz ZGQHSPRIHWFTGZ-SNVBAGLBSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCOCCNC(=O)c1c[nH+]ccc1N ZINC000662922780 412346386 /nfs/dbraw/zinc/34/63/86/412346386.db2.gz XYSQBQDSHHMQTP-UHFFFAOYSA-N 1 0 221.260 0.427 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000665530897 412349535 /nfs/dbraw/zinc/34/95/35/412349535.db2.gz GJBRLCKYCLZRMS-CYBMUJFWSA-N 1 0 240.347 0.724 20 30 BCEDRO C=CC[C@@]1(C(=O)N[C@H](C)c2nc[nH]n2)CCC[NH2+]1 ZINC000662752139 412291760 /nfs/dbraw/zinc/29/17/60/412291760.db2.gz HOCLHGLTKVPGLN-SKDRFNHKSA-N 1 0 249.318 0.680 20 30 BCEDRO C[NH2+]C[C@H](C)CNc1ccc(C)c(C#N)n1 ZINC000420221039 412291834 /nfs/dbraw/zinc/29/18/34/412291834.db2.gz ZRVJQADDRXXJPJ-VIFPVBQESA-N 1 0 218.304 1.529 20 30 BCEDRO Cc1cc(C#N)nc(NC[C@@H]2CSCC[NH2+]2)n1 ZINC000603420357 412301957 /nfs/dbraw/zinc/30/19/57/412301957.db2.gz SRCVADWLWVEIIA-SNVBAGLBSA-N 1 0 249.343 0.774 20 30 BCEDRO Cc1cc(C#N)cc(NC[C@H]2COCCN2C)n1 ZINC000599161349 412302319 /nfs/dbraw/zinc/30/23/19/412302319.db2.gz PGZOUDHLYDCREP-LBPRGKRZSA-N 1 0 246.314 1.004 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@H]2CCOC2)CCC[NH2+]1 ZINC000662791566 412304255 /nfs/dbraw/zinc/30/42/55/412304255.db2.gz BGUNUXKRDIHRLN-CMPLNLGQSA-N 1 0 224.304 0.590 20 30 BCEDRO COCC[N@@H+]1CC[C@H](Nc2ccc(C#N)nn2)C1 ZINC000611240906 412368340 /nfs/dbraw/zinc/36/83/40/412368340.db2.gz HGWQSQLKHUSUPF-NSHDSACASA-N 1 0 247.302 0.481 20 30 BCEDRO CN(C(=O)CC#N)[C@@H]1C[NH+]2CCC1CC2 ZINC000335568656 172300858 /nfs/dbraw/zinc/30/08/58/172300858.db2.gz UCZHHVPHIXYDRH-SNVBAGLBSA-N 1 0 207.277 0.453 20 30 BCEDRO CN(C)C(=O)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336772701 172360987 /nfs/dbraw/zinc/36/09/87/172360987.db2.gz XZYJALNHGOVIBS-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[NH+](C)CCNC(=O)c1cc(C#N)cs1 ZINC000177392535 172461114 /nfs/dbraw/zinc/46/11/14/172461114.db2.gz FHQHFAHDJBPDGS-UHFFFAOYSA-N 1 0 223.301 0.911 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1ncccc1C#N ZINC000133030524 172491381 /nfs/dbraw/zinc/49/13/81/172491381.db2.gz DQVSVIUVCMBVKW-LBPRGKRZSA-N 1 0 234.303 0.678 20 30 BCEDRO C[NH+]1CCC(NC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000152126209 172993211 /nfs/dbraw/zinc/99/32/11/172993211.db2.gz JIYOPSXNILAMCV-UHFFFAOYSA-N 1 0 232.287 0.710 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CCN1CCO[C@H](C#N)C1 ZINC000161696919 173028455 /nfs/dbraw/zinc/02/84/55/173028455.db2.gz YJACDKBRNVSLCS-VXGBXAGGSA-N 1 0 223.320 0.695 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)nc1 ZINC000115384200 173030677 /nfs/dbraw/zinc/03/06/77/173030677.db2.gz ROEICHVKYWGSHR-GFCCVEGCSA-N 1 0 244.298 0.777 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNc1nccc(C#N)n1 ZINC000226036293 173055648 /nfs/dbraw/zinc/05/56/48/173055648.db2.gz DRKQCVKWMOHQOH-JTQLQIEISA-N 1 0 217.276 0.854 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNc1cnc(C#N)cn1 ZINC000122343768 173055916 /nfs/dbraw/zinc/05/59/16/173055916.db2.gz PZOMOKKOVZDZRG-JTQLQIEISA-N 1 0 217.276 0.854 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNc1ccc(C#N)nc1 ZINC000135148662 173074928 /nfs/dbraw/zinc/07/49/28/173074928.db2.gz NVRLWLDHMHMDIO-CYBMUJFWSA-N 1 0 245.330 0.611 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(C#N)cn1 ZINC000225348658 173075633 /nfs/dbraw/zinc/07/56/33/173075633.db2.gz HTNZBOKGJLPFGM-LBPRGKRZSA-N 1 0 245.330 0.611 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccnc(C#N)c2)C1 ZINC000192822924 173116168 /nfs/dbraw/zinc/11/61/68/173116168.db2.gz VAQVTGDDXPJKDR-JTQLQIEISA-N 1 0 244.298 0.635 20 30 BCEDRO Cn1cc(CNC[C@@]2(O)CC[N@H+](C)C2)cc1C#N ZINC000359700794 173165150 /nfs/dbraw/zinc/16/51/50/173165150.db2.gz QGBBZVNXTKDEQV-ZDUSSCGKSA-N 1 0 248.330 0.053 20 30 BCEDRO Cn1cc(C[NH2+][C@H]2CC(=O)N(C)C2)cc1C#N ZINC000276946561 173186412 /nfs/dbraw/zinc/18/64/12/173186412.db2.gz IGALZZAHKNAADM-JTQLQIEISA-N 1 0 232.287 0.217 20 30 BCEDRO CN1C[C@@H]([NH2+]Cc2cc(C#N)cs2)CC1=O ZINC000309427404 173186663 /nfs/dbraw/zinc/18/66/63/173186663.db2.gz XHYPFWPYNYZLGK-VIFPVBQESA-N 1 0 235.312 0.940 20 30 BCEDRO Cn1cc(C[NH2+][C@@H]2CCC(=O)N(C)C2)cc1C#N ZINC000189594643 173195385 /nfs/dbraw/zinc/19/53/85/173195385.db2.gz CEWIFJHFFJTJBE-LLVKDONJSA-N 1 0 246.314 0.607 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3ccnc(C#N)c3)C[C@H]2C1 ZINC000287942466 173199409 /nfs/dbraw/zinc/19/94/09/173199409.db2.gz XVOLCIAJUJICHF-PHIMTYICSA-N 1 0 228.299 0.951 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3cccnc3C#N)C[C@H]2C1 ZINC000290903516 173200462 /nfs/dbraw/zinc/20/04/62/173200462.db2.gz FPGSOWVJOJILNI-PHIMTYICSA-N 1 0 228.299 0.951 20 30 BCEDRO CNC(=O)C1CN(Cc2ccc(C#N)cc2F)C1 ZINC000274539277 173228033 /nfs/dbraw/zinc/22/80/33/173228033.db2.gz TYHIFTLFEXFFRY-UHFFFAOYSA-N 1 0 247.273 0.875 20 30 BCEDRO CNC(=O)C[NH2+]Cc1ccc(OC)c(C#N)c1 ZINC000087822911 173277618 /nfs/dbraw/zinc/27/76/18/173277618.db2.gz FELPZTKNHVYBCK-UHFFFAOYSA-N 1 0 233.271 0.402 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000191435874 173301577 /nfs/dbraw/zinc/30/15/77/173301577.db2.gz RTSNMHMDGIYBAI-SNVBAGLBSA-N 1 0 248.330 0.711 20 30 BCEDRO CNC(=O)[C@H](C)[NH2+]Cc1ccc(C#N)c(OC)c1 ZINC000234345992 173302939 /nfs/dbraw/zinc/30/29/39/173302939.db2.gz GWJFIXPVTMOPOJ-VIFPVBQESA-N 1 0 247.298 0.791 20 30 BCEDRO C[NH2+]C(C)(C)CNc1cnc(C#N)cn1 ZINC000274694677 173320211 /nfs/dbraw/zinc/32/02/11/173320211.db2.gz NFRSTDDDKHUJCH-UHFFFAOYSA-N 1 0 205.265 0.758 20 30 BCEDRO C[NH2+][C@H](C)CNC(=O)c1ccc(C#N)cc1 ZINC000261584527 173446526 /nfs/dbraw/zinc/44/65/26/173446526.db2.gz PXDVUVZSXQJMQZ-SECBINFHSA-N 1 0 217.272 0.896 20 30 BCEDRO COCC1(C#N)CC[NH+](CCCO)CC1 ZINC000341986740 174083833 /nfs/dbraw/zinc/08/38/33/174083833.db2.gz FKUSRPJOZFLQME-UHFFFAOYSA-N 1 0 212.293 0.621 20 30 BCEDRO COCCOCC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189591166 174357543 /nfs/dbraw/zinc/35/75/43/174357543.db2.gz BJPICCAPJZECGS-UHFFFAOYSA-N 1 0 237.303 0.649 20 30 BCEDRO COCC[C@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000309617469 174406253 /nfs/dbraw/zinc/40/62/53/174406253.db2.gz DEHHKHNNWRNKED-VIFPVBQESA-N 1 0 223.280 0.164 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000668296957 487633054 /nfs/dbraw/zinc/63/30/54/487633054.db2.gz CCONIPMCWQHSOW-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2ccccc2O)N1 ZINC000285173976 176323219 /nfs/dbraw/zinc/32/32/19/176323219.db2.gz UEVVSXNTSDTCNX-MRVPVSSYSA-N 1 0 205.261 0.830 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C#N)cc1 ZINC000054369731 176326393 /nfs/dbraw/zinc/32/63/93/176326393.db2.gz XDAURIRSIKCANO-SNVBAGLBSA-N 1 0 229.283 0.992 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000336484388 176552401 /nfs/dbraw/zinc/55/24/01/176552401.db2.gz FKSZPMYUEFAZBV-NEPJUHHUSA-N 1 0 248.330 0.802 20 30 BCEDRO C[C@H]1CCCC[C@H]1[NH2+]CC(=O)NCC#N ZINC000020052659 177089179 /nfs/dbraw/zinc/08/91/79/177089179.db2.gz QGWWIJPKMMPPOK-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@H]1CCNC(=O)[C@@H]1NCc1ccc(C#N)o1 ZINC000193692532 177173739 /nfs/dbraw/zinc/17/37/39/177173739.db2.gz MHLWTVFWCJZKGZ-GZMMTYOYSA-N 1 0 233.271 0.765 20 30 BCEDRO C[C@H]1C[N@H+](CCOCCC#N)C[C@@H]1CO ZINC000339129070 177252793 /nfs/dbraw/zinc/25/27/93/177252793.db2.gz RZAHWVJXIFRPHN-WDEREUQCSA-N 1 0 212.293 0.477 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCC#N ZINC000487023759 225282330 /nfs/dbraw/zinc/28/23/30/225282330.db2.gz SSALHWUDZNPMSP-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO C[NH+](C)CCCNS(=O)(=O)CCCCC#N ZINC000489084391 225446869 /nfs/dbraw/zinc/44/68/69/225446869.db2.gz ZLNXBLWPJSUOPC-UHFFFAOYSA-N 1 0 247.364 0.551 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@](C)(O)C=C)CC1 ZINC000668368548 487657870 /nfs/dbraw/zinc/65/78/70/487657870.db2.gz BICPOWQQQDELSQ-CYBMUJFWSA-N 1 0 238.331 0.690 20 30 BCEDRO CC#CCC[N@H+](C)CCN1CCCS1(=O)=O ZINC000680884522 487664787 /nfs/dbraw/zinc/66/47/87/487664787.db2.gz DPHWYUOBOSXOER-UHFFFAOYSA-N 1 0 244.360 0.367 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000491252588 229193304 /nfs/dbraw/zinc/19/33/04/229193304.db2.gz IRCZXJSUBAPUAJ-SECBINFHSA-N 1 0 222.248 0.745 20 30 BCEDRO NC(=[NH2+])NC[C@@H]1CCN1Cc1ccccc1 ZINC000038173769 487673265 /nfs/dbraw/zinc/67/32/65/487673265.db2.gz QPFFCQFVLYWCRU-NSHDSACASA-N 1 0 218.304 0.534 20 30 BCEDRO C#CCN(Cc1ccccc1)[C@H](C)C(N)=O ZINC000298384739 487675807 /nfs/dbraw/zinc/67/58/07/487675807.db2.gz DLISQAQYMDFKEZ-LLVKDONJSA-N 1 0 216.284 0.996 20 30 BCEDRO COCC#CCN1CC[N@H+](C[C@H](C)O)C[C@H]1C ZINC000669692939 487677617 /nfs/dbraw/zinc/67/76/17/487677617.db2.gz KNVLDKXSWLFZKO-OLZOCXBDSA-N 1 0 240.347 0.023 20 30 BCEDRO C=CCOCCNC(=O)CCCC[NH3+] ZINC000308542364 487678576 /nfs/dbraw/zinc/67/85/76/487678576.db2.gz NAVYFRJISFZLNV-UHFFFAOYSA-N 1 0 200.282 0.434 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000671696555 487695247 /nfs/dbraw/zinc/69/52/47/487695247.db2.gz FYWBMOGSXGJZNG-OLZOCXBDSA-N 1 0 241.331 0.805 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@H](O)C(F)(F)F ZINC000328104925 262907678 /nfs/dbraw/zinc/90/76/78/262907678.db2.gz MGQPFHXPELILOW-VIFPVBQESA-N 1 0 238.253 0.454 20 30 BCEDRO N#Cc1ccnc(N2CCC(CC[NH3+])CC2)n1 ZINC000231942986 268290887 /nfs/dbraw/zinc/29/08/87/268290887.db2.gz XAJNLANSDKTFAK-UHFFFAOYSA-N 1 0 231.303 0.913 20 30 BCEDRO C=CCC1(NC(=O)C[NH2+]C2CC2)CCOCC1 ZINC000662875960 487744494 /nfs/dbraw/zinc/74/44/94/487744494.db2.gz YPMXVUIUBNTLSB-UHFFFAOYSA-N 1 0 238.331 0.980 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[NH+]1CCCCCC1 ZINC000666249008 487769704 /nfs/dbraw/zinc/76/97/04/487769704.db2.gz QJVHCDXBRBZHHP-ZDUSSCGKSA-N 1 0 240.347 0.916 20 30 BCEDRO Cc1[nH]cnc1C=NNC(=S)N(C)C ZINC000755708722 585304484 /nfs/dbraw/zinc/30/44/84/585304484.db2.gz IHLZKLHXRLFNTG-UHFFFAOYSA-N 1 0 211.294 0.488 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000668457326 487781270 /nfs/dbraw/zinc/78/12/70/487781270.db2.gz DFNIQXACSXERRF-DGCLKSJQSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000668458455 487782330 /nfs/dbraw/zinc/78/23/30/487782330.db2.gz ZMVAZMAPQMEKRL-WDEREUQCSA-N 1 0 224.304 0.134 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@](C)(CC)CCO ZINC000764668166 585470278 /nfs/dbraw/zinc/47/02/78/585470278.db2.gz VRMQQHJPQVDOTA-GFCCVEGCSA-N 1 0 228.336 0.772 20 30 BCEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)C=NOC ZINC000774415476 585658043 /nfs/dbraw/zinc/65/80/43/585658043.db2.gz ZHOBYHSBQHBZOQ-SECBINFHSA-N 1 0 215.297 0.465 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000666427718 487806989 /nfs/dbraw/zinc/80/69/89/487806989.db2.gz BMSZRZQNERURRD-DGCLKSJQSA-N 1 0 240.347 0.772 20 30 BCEDRO CC[C@@H](C[N@@H+]1CC[C@](O)(CC#N)C1)OC ZINC000592153238 487807723 /nfs/dbraw/zinc/80/77/23/487807723.db2.gz LHTVKDXSVNRYIU-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000666453305 487812305 /nfs/dbraw/zinc/81/23/05/487812305.db2.gz ASOLDSDGHJTAHD-DCAQKATOSA-N 1 0 224.304 0.276 20 30 BCEDRO C=CCOCC[NH2+]C[C@]1(OC)CCOC1 ZINC000385442177 487813555 /nfs/dbraw/zinc/81/35/55/487813555.db2.gz QYFYREOLLAARQO-LLVKDONJSA-N 1 0 215.293 0.584 20 30 BCEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)N(C)C[C@H](C)C#N ZINC000569337739 322943593 /nfs/dbraw/zinc/94/35/93/322943593.db2.gz RHOGBMWRIWLSBE-UTLUCORTSA-N 1 0 226.324 0.913 20 30 BCEDRO C=CCNC(=O)N[C@H](CC[NH3+])C(F)(F)F ZINC000307894496 526615501 /nfs/dbraw/zinc/61/55/01/526615501.db2.gz HETUBPXCGIXRPL-ZCFIWIBFSA-N 1 0 225.214 0.751 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)/C=C\C[NH+](C)C ZINC000493653347 527426167 /nfs/dbraw/zinc/42/61/67/527426167.db2.gz OGTFXDASCZFWMO-JYKYSHPRSA-N 1 0 226.320 0.548 20 30 BCEDRO C=CCN(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000681654795 487831773 /nfs/dbraw/zinc/83/17/73/487831773.db2.gz KMOMXRITFKZWHE-JTQLQIEISA-N 1 0 211.309 0.908 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000668095388 487836364 /nfs/dbraw/zinc/83/63/64/487836364.db2.gz IEYFOLSOMWMGRN-JOYOIKCWSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CCNC(=S)N(C)CC1C[NH+](C)C1 ZINC000849288992 588470073 /nfs/dbraw/zinc/47/00/73/588470073.db2.gz HPVATVUJOXHWJM-UHFFFAOYSA-N 1 0 213.350 0.540 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](C[NH+](C)C)C1 ZINC000851771856 588625201 /nfs/dbraw/zinc/62/52/01/588625201.db2.gz QICNPYIVOHMVMC-LBPRGKRZSA-N 1 0 210.321 0.520 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000852841800 588707437 /nfs/dbraw/zinc/70/74/37/588707437.db2.gz QEIRWQQTMMXNJK-YUMQZZPRSA-N 1 0 218.684 0.219 20 30 BCEDRO C[N@H+](CCCC(C)(C)C#N)CCS(N)(=O)=O ZINC000880082650 590922094 /nfs/dbraw/zinc/92/20/94/590922094.db2.gz MWEGQRLSUFOFCE-UHFFFAOYSA-N 1 0 247.364 0.537 20 30 BCEDRO N#CCC1(Cn2cc(CCC[NH3+])nn2)CC1 ZINC000594650806 487848270 /nfs/dbraw/zinc/84/82/70/487848270.db2.gz DAPRKXVCCBDZIN-UHFFFAOYSA-N 1 0 219.292 0.863 20 30 BCEDRO C=CCNC(=O)N1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000668167355 487857924 /nfs/dbraw/zinc/85/79/24/487857924.db2.gz LCWOJWGCAWHVFZ-IUCAKERBSA-N 1 0 215.272 0.514 20 30 BCEDRO CSCC(C)(C)[NH2+]CC(=O)NCCC#N ZINC000934677414 641245182 /nfs/dbraw/zinc/24/51/82/641245182.db2.gz OMTQLORQDVQKND-UHFFFAOYSA-N 1 0 229.349 0.747 20 30 BCEDRO N#CCCOCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000595609617 487872231 /nfs/dbraw/zinc/87/22/31/487872231.db2.gz ZMBCTZSHYGHWNI-LBPRGKRZSA-N 1 0 249.318 0.530 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000676560706 487872939 /nfs/dbraw/zinc/87/29/39/487872939.db2.gz NXZIUHQRDLGZHZ-SDDRHHMPSA-N 1 0 211.305 0.463 20 30 BCEDRO C=C(C)C[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682034302 487886986 /nfs/dbraw/zinc/88/69/86/487886986.db2.gz XRMTXGLNCFNYOS-UHFFFAOYSA-N 1 0 212.337 0.951 20 30 BCEDRO COCC#CC[N@H+](CCO)C1CCOCC1 ZINC000682041062 487887850 /nfs/dbraw/zinc/88/78/50/487887850.db2.gz PGMZQRHJUTUBEA-UHFFFAOYSA-N 1 0 227.304 0.110 20 30 BCEDRO C=CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])[C@H](C)COC ZINC000659547904 487891848 /nfs/dbraw/zinc/89/18/48/487891848.db2.gz FQPKRLWOTKQJAW-OUAUKWLOSA-N 1 0 243.351 0.955 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000677133350 487892777 /nfs/dbraw/zinc/89/27/77/487892777.db2.gz RTNXEYXBUMDSCD-QWRGUYRKSA-N 1 0 224.304 0.222 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925406412 646261227 /nfs/dbraw/zinc/26/12/27/646261227.db2.gz SNEYPEBNGWGNAQ-SNVBAGLBSA-N 1 0 209.293 0.355 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000666913752 487903085 /nfs/dbraw/zinc/90/30/85/487903085.db2.gz REKJIZDREKYCQV-ZYHUDNBSSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCN(CCOC)C(=O)NCC[NH2+]CC ZINC000418324298 487913049 /nfs/dbraw/zinc/91/30/49/487913049.db2.gz JUNUBEMJQDWZIY-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C=CCCn1cc(CN2CCC[N@@H+](C)CC2)nn1 ZINC000653488694 487915285 /nfs/dbraw/zinc/91/52/85/487915285.db2.gz HZKIJTJGYMKVQO-UHFFFAOYSA-N 1 0 249.362 0.992 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](CC)[C@@H](C)C1 ZINC000669065399 487925374 /nfs/dbraw/zinc/92/53/74/487925374.db2.gz MELBXHVHPPABEN-SRVKXCTJSA-N 1 0 240.347 0.865 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676887756 487942650 /nfs/dbraw/zinc/94/26/50/487942650.db2.gz LAFRSMMCIDKJOT-UWVGGRQHSA-N 1 0 212.293 0.121 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000565005906 322995071 /nfs/dbraw/zinc/99/50/71/322995071.db2.gz VWRLDWDDSXUSLG-IUCAKERBSA-N 1 0 200.282 0.431 20 30 BCEDRO C[C@@H]1C[C@H](Nc2ccnc(C#N)n2)C[N@@H+]1C1CC1 ZINC000566483807 323001495 /nfs/dbraw/zinc/00/14/95/323001495.db2.gz WWHPZAGJTMIADW-ZJUUUORDSA-N 1 0 243.314 0.807 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+]1CCS[C@@H](CC)C1 ZINC000247646427 323013534 /nfs/dbraw/zinc/01/35/34/323013534.db2.gz ULTINYHEZZVEDH-MNOVXSKESA-N 1 0 240.372 0.952 20 30 BCEDRO C[C@H](C#N)CNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000562342818 323017263 /nfs/dbraw/zinc/01/72/63/323017263.db2.gz TUQJZQPFHFSVCY-MWLCHTKSSA-N 1 0 221.304 0.889 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)CCn1cccn1 ZINC000289578573 323036146 /nfs/dbraw/zinc/03/61/46/323036146.db2.gz BJFASKPLENATCB-WDEREUQCSA-N 1 0 209.293 0.798 20 30 BCEDRO C[NH+](C)[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC000159583729 323039334 /nfs/dbraw/zinc/03/93/34/323039334.db2.gz FYLJDGHMSHCVOG-LBPRGKRZSA-N 1 0 246.314 0.956 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569807924 323040909 /nfs/dbraw/zinc/04/09/09/323040909.db2.gz FRKLWPLKFAWQSP-MMWGEVLESA-N 1 0 241.335 0.755 20 30 BCEDRO CO[C@H](C)CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000569803209 323041126 /nfs/dbraw/zinc/04/11/26/323041126.db2.gz HSEAQNFFFNCAIZ-NEPJUHHUSA-N 1 0 243.351 0.207 20 30 BCEDRO COCC[C@@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000570155331 323051148 /nfs/dbraw/zinc/05/11/48/323051148.db2.gz JWAVXVTWNVPACC-NEPJUHHUSA-N 1 0 243.351 0.207 20 30 BCEDRO C=CCCCN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000570277064 323054643 /nfs/dbraw/zinc/05/46/43/323054643.db2.gz XCCRLJLWZVZCDS-UHFFFAOYSA-N 1 0 237.303 0.627 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1nc(C)cs1 ZINC000164135049 323066526 /nfs/dbraw/zinc/06/65/26/323066526.db2.gz NVQNCOFRMOCPSV-UHFFFAOYSA-N 1 0 237.328 0.681 20 30 BCEDRO C[C@H]1C[C@@]1(C#N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000570913165 323074067 /nfs/dbraw/zinc/07/40/67/323074067.db2.gz LVANZGBXKCWINT-MDZLAQPJSA-N 1 0 235.331 0.994 20 30 BCEDRO C#CCN(CC1CCC1)[C@H]1CCS(=O)(=O)C1 ZINC000490839106 323075533 /nfs/dbraw/zinc/07/55/33/323075533.db2.gz GFYZPDJZWSQHLL-LBPRGKRZSA-N 1 0 241.356 0.909 20 30 BCEDRO CSC[C@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000563003483 323079290 /nfs/dbraw/zinc/07/92/90/323079290.db2.gz SUDOSYXZUCGVBK-SECBINFHSA-N 1 0 214.334 0.994 20 30 BCEDRO CSC[C@@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000563003489 323079332 /nfs/dbraw/zinc/07/93/32/323079332.db2.gz SUDOSYXZUCGVBK-VIFPVBQESA-N 1 0 214.334 0.994 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000335617098 323101314 /nfs/dbraw/zinc/10/13/14/323101314.db2.gz IOPWXTYAISCVFF-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@H](CC)CO)CC1 ZINC000124117691 323114476 /nfs/dbraw/zinc/11/44/76/323114476.db2.gz CHWMWFGGQOWNDF-GFCCVEGCSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C1CCN(C(=O)COC2C[NH2+]C2)CC1 ZINC000563335901 323119628 /nfs/dbraw/zinc/11/96/28/323119628.db2.gz CLJOMKGJAIUMJU-UHFFFAOYSA-N 1 0 210.277 0.153 20 30 BCEDRO C=CCCCC[N@@H+]1C[C@H](O)[C@@H](N(C)C)C1 ZINC000563365128 323121248 /nfs/dbraw/zinc/12/12/48/323121248.db2.gz PBXYJYCLVHLJIE-RYUDHWBXSA-N 1 0 212.337 0.949 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CC2)C1 ZINC000563382484 323121930 /nfs/dbraw/zinc/12/19/30/323121930.db2.gz HRKIRSZMOKDMSB-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO C[C@@H](C#N)CNC[C@@H](O)C[N@H+](C)C1CC1 ZINC000571316010 323141166 /nfs/dbraw/zinc/14/11/66/323141166.db2.gz RMFZVZWGHZGVGL-GXSJLCMTSA-N 1 0 211.309 0.191 20 30 BCEDRO C=C1CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)CC1 ZINC000571458164 323145642 /nfs/dbraw/zinc/14/56/42/323145642.db2.gz YAGWAARGGKVUDE-JTQLQIEISA-N 1 0 240.303 0.446 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cnn(CC)c1 ZINC000262686788 323150303 /nfs/dbraw/zinc/15/03/03/323150303.db2.gz YQCBFUCDVXCTBY-UHFFFAOYSA-N 1 0 221.308 0.883 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](N2CCCC2=O)C1 ZINC000111295719 323158443 /nfs/dbraw/zinc/15/84/43/323158443.db2.gz HYAFQMVLCDALOG-LLVKDONJSA-N 1 0 206.289 0.706 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CCC[N@H+]1CCOC ZINC000111785569 323163592 /nfs/dbraw/zinc/16/35/92/323163592.db2.gz RIJSBKFOVZBQTJ-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H]([C@@H](C)O)C1 ZINC000305162120 323167854 /nfs/dbraw/zinc/16/78/54/323167854.db2.gz FUPZTOWHBKJVBS-TUAOUCFPSA-N 1 0 240.347 0.770 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000535323189 323170832 /nfs/dbraw/zinc/17/08/32/323170832.db2.gz YUXDOOCFNAQQOH-VHSXEESVSA-N 1 0 241.360 0.700 20 30 BCEDRO C=CCN1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000677046632 487957620 /nfs/dbraw/zinc/95/76/20/487957620.db2.gz DGPAVIJLUITZSC-UHFFFAOYSA-N 1 0 221.308 0.417 20 30 BCEDRO C[NH2+]C(C)(C)CNc1cc(C#N)ncn1 ZINC000308914299 323181402 /nfs/dbraw/zinc/18/14/02/323181402.db2.gz FLKQZMJZSBTNLI-UHFFFAOYSA-N 1 0 205.265 0.758 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000571670427 323182179 /nfs/dbraw/zinc/18/21/79/323182179.db2.gz DBPHDVYPVJVMSM-SNVBAGLBSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[NH2+]CC1(C)C ZINC000571670421 323182254 /nfs/dbraw/zinc/18/22/54/323182254.db2.gz DBPHDVYPVJVMSM-JTQLQIEISA-N 1 0 226.320 0.693 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1cc[nH]n1 ZINC000294084209 323183158 /nfs/dbraw/zinc/18/31/58/323183158.db2.gz LKTLJVXEFAVCQR-GFCCVEGCSA-N 1 0 246.314 0.686 20 30 BCEDRO C=CCNC(=O)C[N@H+](CC)C[C@@H]1CCCO1 ZINC000051555203 323189718 /nfs/dbraw/zinc/18/97/18/323189718.db2.gz ZYHYATDANCPPNB-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CC[C@H](C[NH+](C)C)C1 ZINC000114480381 323194415 /nfs/dbraw/zinc/19/44/15/323194415.db2.gz LJVJBSWKBWTVMR-VXGBXAGGSA-N 1 0 237.347 0.008 20 30 BCEDRO N#CCSCC(=O)NCCC[NH+]1CCCC1 ZINC000041778432 323214921 /nfs/dbraw/zinc/21/49/21/323214921.db2.gz IVBCSFAKJQJPEZ-UHFFFAOYSA-N 1 0 241.360 0.845 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C)CC1 ZINC000042287172 323245707 /nfs/dbraw/zinc/24/57/07/323245707.db2.gz ZEICGBCYPDTSFV-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000320397399 323563152 /nfs/dbraw/zinc/56/31/52/323563152.db2.gz OCBIJIAZHPDVQR-NKWVEPMBSA-N 1 0 213.199 0.436 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000125306107 323862612 /nfs/dbraw/zinc/86/26/12/323862612.db2.gz LQASKKQKMXQKHT-GHMZBOCLSA-N 1 0 238.331 0.529 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@H]1CCO ZINC000491305898 324155808 /nfs/dbraw/zinc/15/58/08/324155808.db2.gz KNPHBBBSUQYCPZ-SRVKXCTJSA-N 1 0 238.331 0.265 20 30 BCEDRO C#C[C@H](NC(=O)NCC[NH2+]CC)C(C)C ZINC000491305847 324155826 /nfs/dbraw/zinc/15/58/26/324155826.db2.gz KKGBNDUTTRQCPY-JTQLQIEISA-N 1 0 211.309 0.553 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@H]1CCCCO1 ZINC000491417656 324156381 /nfs/dbraw/zinc/15/63/81/324156381.db2.gz OFWJUPDYVIWPHZ-GFCCVEGCSA-N 1 0 238.331 0.675 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)CN1CC[NH+](CC)CC1 ZINC000491778921 324161150 /nfs/dbraw/zinc/16/11/50/324161150.db2.gz JHCWWVILCXISGZ-LBPRGKRZSA-N 1 0 237.347 0.104 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)N1CCSC[C@H]1C#N ZINC000492363351 324162918 /nfs/dbraw/zinc/16/29/18/324162918.db2.gz GFUMUVVNUKRHDJ-UMBAGQNISA-N 1 0 239.344 0.572 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1cccnc1 ZINC000517732554 324176689 /nfs/dbraw/zinc/17/66/89/324176689.db2.gz KKGZTPYBHMNXOK-ZDUSSCGKSA-N 1 0 248.330 0.378 20 30 BCEDRO C#CC[N@@H+](C)CCCNS(=O)(=O)CCCC ZINC000328188830 324224043 /nfs/dbraw/zinc/22/40/43/324224043.db2.gz PMGQCMNUVNJQMG-UHFFFAOYSA-N 1 0 246.376 0.661 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)c1ccc(C#N)[nH]1 ZINC000540517352 324903599 /nfs/dbraw/zinc/90/35/99/324903599.db2.gz LIVUDWJFFCWDKC-UHFFFAOYSA-N 1 0 234.303 0.910 20 30 BCEDRO Cc1onc(CC(=O)NCC[NH+]2CCC2)c1C#N ZINC000542786130 325047239 /nfs/dbraw/zinc/04/72/39/325047239.db2.gz YTWLGFKLBSMOMP-UHFFFAOYSA-N 1 0 248.286 0.219 20 30 BCEDRO C#CCN(CC(C)C)[C@H]1CCS(=O)(=O)C1 ZINC000071015828 325050111 /nfs/dbraw/zinc/05/01/11/325050111.db2.gz RAMUNUPMKWNJRM-NSHDSACASA-N 1 0 229.345 0.765 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N[C@H](C)CC[NH+](C)C ZINC000542878257 325060033 /nfs/dbraw/zinc/06/00/33/325060033.db2.gz VNPVKQJGNLYLEP-VHSXEESVSA-N 1 0 226.324 0.785 20 30 BCEDRO Cc1ccccc1[C@@H](CO)[NH2+]CC(=O)NCC#N ZINC000543839736 325116698 /nfs/dbraw/zinc/11/66/98/325116698.db2.gz MWHQBEBRHUUMFQ-GFCCVEGCSA-N 1 0 247.298 0.258 20 30 BCEDRO C=CCC[N@H+]1CCC[C@H](CNS(N)(=O)=O)C1 ZINC000132760094 325244481 /nfs/dbraw/zinc/24/44/81/325244481.db2.gz MLAMARAJRCAPPL-SNVBAGLBSA-N 1 0 247.364 0.068 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCCC1(C)C ZINC000077382682 325376561 /nfs/dbraw/zinc/37/65/61/325376561.db2.gz OHBNAEXMTDWHIW-UHFFFAOYSA-N 1 0 239.319 0.873 20 30 BCEDRO CC1CC([NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000564847892 325816611 /nfs/dbraw/zinc/81/66/11/325816611.db2.gz IXRGFDJHEXABJJ-HTAVTVPLSA-N 1 0 225.336 0.581 20 30 BCEDRO C[NH+](C)C1CN(C(=O)Nc2cccc(C#N)n2)C1 ZINC000566067367 325989968 /nfs/dbraw/zinc/98/99/68/325989968.db2.gz YIXXCOIAORJBCY-UHFFFAOYSA-N 1 0 245.286 0.731 20 30 BCEDRO C[C@H](C[NH2+]CC1(CC#N)CC1)S(C)(=O)=O ZINC000566125712 325999830 /nfs/dbraw/zinc/99/98/30/325999830.db2.gz VKTZXKUCFCYYLB-SECBINFHSA-N 1 0 230.333 0.703 20 30 BCEDRO C=CCN(C(=O)[C@H]([NH3+])CCC(=O)OC)C1CC1 ZINC000566248997 326023910 /nfs/dbraw/zinc/02/39/10/326023910.db2.gz JPRANQOVMRTZHJ-SNVBAGLBSA-N 1 0 240.303 0.444 20 30 BCEDRO C=CCN(C(=O)[C@@H]([NH3+])CCC(=O)OC)C1CC1 ZINC000566248991 326024019 /nfs/dbraw/zinc/02/40/19/326024019.db2.gz JPRANQOVMRTZHJ-JTQLQIEISA-N 1 0 240.303 0.444 20 30 BCEDRO C[NH2+]C[C@H](C)CNC(=O)c1ccc(C#N)c(C)n1 ZINC000566404532 326040179 /nfs/dbraw/zinc/04/01/79/326040179.db2.gz OQAIKVRUIOIHQE-VIFPVBQESA-N 1 0 246.314 0.847 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000566673846 326073095 /nfs/dbraw/zinc/07/30/95/326073095.db2.gz CPYUIQIWBCRYLH-SRVKXCTJSA-N 1 0 238.331 0.645 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000673520643 487971623 /nfs/dbraw/zinc/97/16/23/487971623.db2.gz FRPZXZMHJAGTDN-QWRGUYRKSA-N 1 0 244.335 0.006 20 30 BCEDRO COC[C@](C)(O)C[NH2+]Cc1ccc(C#N)o1 ZINC000309670652 326163245 /nfs/dbraw/zinc/16/32/45/326163245.db2.gz VVHPZXWHEPLODE-LLVKDONJSA-N 1 0 224.260 0.638 20 30 BCEDRO C=C1CCN(C(=O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000567362835 326174262 /nfs/dbraw/zinc/17/42/62/326174262.db2.gz GQBJKBWPQBDSAR-LBPRGKRZSA-N 1 0 238.331 0.934 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418032357 487971814 /nfs/dbraw/zinc/97/18/14/487971814.db2.gz PYWVIKOZIFMDQO-MNOVXSKESA-N 1 0 223.320 0.969 20 30 BCEDRO N#CCC[C@H](C#N)C[NH2+][C@@H]1CCC[C@H]1O ZINC000567873297 326274444 /nfs/dbraw/zinc/27/44/44/326274444.db2.gz RKFVEDGDWQBTOH-GMTAPVOTSA-N 1 0 207.277 0.933 20 30 BCEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000568002396 326294580 /nfs/dbraw/zinc/29/45/80/326294580.db2.gz SCGRPXWHZFTCBU-NWDGAFQWSA-N 1 0 240.347 0.991 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2CCC[NH2+]C2)CCCC1 ZINC000568153042 326314178 /nfs/dbraw/zinc/31/41/78/326314178.db2.gz ULZNONCFJWYUSM-SNVBAGLBSA-N 1 0 221.304 0.939 20 30 BCEDRO COC(=O)CCC[NH2+]C[C@H](C#N)CCC#N ZINC000568500760 326360218 /nfs/dbraw/zinc/36/02/18/326360218.db2.gz FLACERKNWVZMNE-JTQLQIEISA-N 1 0 223.276 0.973 20 30 BCEDRO C=CCN(CCOC)C(=O)NCCC[NH2+]CC ZINC000568609156 326367404 /nfs/dbraw/zinc/36/74/04/326367404.db2.gz ZHIPNCVQCPRNFC-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=CCN1CC[C@H](SCC[NH2+]C)C1=O ZINC000568628057 326369048 /nfs/dbraw/zinc/36/90/48/326369048.db2.gz KPQUVEOZMJIHTC-VIFPVBQESA-N 1 0 214.334 0.726 20 30 BCEDRO CC#CCN1CCN(CC#CC)[C@@H](CCO)C1 ZINC000568832150 326378501 /nfs/dbraw/zinc/37/85/01/326378501.db2.gz MANXVMDNKGSWIZ-AWEZNQCLSA-N 1 0 234.343 0.402 20 30 BCEDRO CC(C)[C@@H]1C[C@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000568857478 326379564 /nfs/dbraw/zinc/37/95/64/326379564.db2.gz DWCQCUFGYDCQAN-RWMBFGLXSA-N 1 0 239.363 0.827 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668598034 487985794 /nfs/dbraw/zinc/98/57/94/487985794.db2.gz HSDJJXOQVQAJPN-DGCLKSJQSA-N 1 0 238.331 0.619 20 30 BCEDRO C=CCNC(=O)CN1CC[N@@H+](CC)[C@H](C)C1 ZINC000677196714 488001163 /nfs/dbraw/zinc/00/11/63/488001163.db2.gz VBZFTWJWUNESEK-LLVKDONJSA-N 1 0 225.336 0.315 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000655161011 488005628 /nfs/dbraw/zinc/00/56/28/488005628.db2.gz QVYLUTSLDIZYMR-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO C=CCCn1cc(CN2CCC[C@@H]2C[NH3+])nn1 ZINC000655938068 488022532 /nfs/dbraw/zinc/02/25/32/488022532.db2.gz LJUXOVRGQZBZOI-GFCCVEGCSA-N 1 0 235.335 0.777 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000309658463 488025039 /nfs/dbraw/zinc/02/50/39/488025039.db2.gz XCCAYTIXPZDQLP-URLYPYJESA-N 1 0 206.289 0.652 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C(C)(C)c1cnn(C)c1 ZINC000491069201 488029347 /nfs/dbraw/zinc/02/93/47/488029347.db2.gz UMBFAOAEDQULPO-UHFFFAOYSA-N 1 0 248.330 0.384 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)C[C@H](C)O ZINC000491678821 488037475 /nfs/dbraw/zinc/03/74/75/488037475.db2.gz VDOCQFYNASQAAM-MNOVXSKESA-N 1 0 226.320 0.123 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000669179281 488045660 /nfs/dbraw/zinc/04/56/60/488045660.db2.gz VUUILRSBAMKOJP-NXEZZACHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=CCOCCCNC(=O)N1CCC[C@H]([NH3+])C1 ZINC000659595148 488046439 /nfs/dbraw/zinc/04/64/39/488046439.db2.gz ADAACHJGUULVPZ-NSHDSACASA-N 1 0 241.335 0.712 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000667562955 488046965 /nfs/dbraw/zinc/04/69/65/488046965.db2.gz PTLMRAJSTADMQZ-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000401846822 488070509 /nfs/dbraw/zinc/07/05/09/488070509.db2.gz QSROBGQFADWZAR-YFKPBYRVSA-N 1 0 211.187 0.361 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)C2CCC2)C1=O ZINC000661153043 488081194 /nfs/dbraw/zinc/08/11/94/488081194.db2.gz HRJHKEBVPHNRBY-RYUDHWBXSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCCCC[NH+](C)C ZINC000668681260 488110728 /nfs/dbraw/zinc/11/07/28/488110728.db2.gz IGKYQWGLQCYRRS-NSHDSACASA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000668687419 488116278 /nfs/dbraw/zinc/11/62/78/488116278.db2.gz CDZOCUFBJZTRDD-VHSXEESVSA-N 1 0 214.309 0.380 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H]1CC(=O)OC ZINC000611194871 488118659 /nfs/dbraw/zinc/11/86/59/488118659.db2.gz AJNCIUQVAYTWPG-LLVKDONJSA-N 1 0 225.288 0.664 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000668690580 488120854 /nfs/dbraw/zinc/12/08/54/488120854.db2.gz WUBVNBNIQQERQY-JQWIXIFHSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000669345032 487537732 /nfs/dbraw/zinc/53/77/32/487537732.db2.gz DLPYNNFRXUXRFW-RYUDHWBXSA-N 1 0 240.347 0.724 20 30 BCEDRO COCC#CC[N@@H+]1CCCC[C@@H]1CCO ZINC000677818420 488132843 /nfs/dbraw/zinc/13/28/43/488132843.db2.gz MTAYEZVVXYCTGT-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO COCC#CC[NH+]1CCC(CNC(C)=O)CC1 ZINC000677818344 488132878 /nfs/dbraw/zinc/13/28/78/488132878.db2.gz IVOBRSVPVWFCAB-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO COCC#CC[N@H+](CCCCO)C1CC1 ZINC000677818305 488133058 /nfs/dbraw/zinc/13/30/58/488133058.db2.gz YQGOXZBPYPKERX-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO CC(C)[NH2+]CCCNc1nccc(C#N)n1 ZINC000578175159 487546346 /nfs/dbraw/zinc/54/63/46/487546346.db2.gz KKNVCMFADBZMCP-UHFFFAOYSA-N 1 0 219.292 1.148 20 30 BCEDRO C=CCOCCNC(=O)CC[NH2+]C(C)C ZINC000308836156 487547044 /nfs/dbraw/zinc/54/70/44/487547044.db2.gz WLXJBTGAYPVUCF-UHFFFAOYSA-N 1 0 214.309 0.693 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000669359870 487552225 /nfs/dbraw/zinc/55/22/25/487552225.db2.gz WYWDNDYOKJCUHU-WCQYABFASA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCOCCNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000308843879 487555907 /nfs/dbraw/zinc/55/59/07/487555907.db2.gz ZXTYJDYOYVWGNV-LLVKDONJSA-N 1 0 212.293 0.305 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000677819766 488136208 /nfs/dbraw/zinc/13/62/08/488136208.db2.gz QJAQMTFGTXLVIO-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO COCC#CC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000677820608 488137841 /nfs/dbraw/zinc/13/78/41/488137841.db2.gz QXPAYXIIYLFPEP-NWDGAFQWSA-N 1 0 241.356 0.843 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](CCCO)C2CC2)C1=O ZINC000685001127 487488849 /nfs/dbraw/zinc/48/88/49/487488849.db2.gz MDTUCNGIOJVRHD-GFCCVEGCSA-N 1 0 238.331 0.620 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1cccc(C#N)n1 ZINC000228670356 487502999 /nfs/dbraw/zinc/50/29/99/487502999.db2.gz QHQMVJHYZSXJJO-LBPRGKRZSA-N 1 0 234.303 0.678 20 30 BCEDRO COCC#CCN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000677817025 487505899 /nfs/dbraw/zinc/50/58/99/487505899.db2.gz FJVVWRXYOYIXBZ-ZDUSSCGKSA-N 1 0 224.348 0.910 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)C(C)(C)n1cncn1 ZINC000685654188 487571022 /nfs/dbraw/zinc/57/10/22/487571022.db2.gz GHUDFAIFYQRQQZ-QWRGUYRKSA-N 1 0 238.335 0.928 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000358579654 487836711 /nfs/dbraw/zinc/83/67/11/487836711.db2.gz GPXRSTSKYBXIQZ-WDEREUQCSA-N 1 0 243.351 0.563 20 30 BCEDRO C=CCCOCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000676998444 487953073 /nfs/dbraw/zinc/95/30/73/487953073.db2.gz UOMKDFBCWIHPEG-GFCCVEGCSA-N 1 0 244.335 0.008 20 30 BCEDRO C=C[C@H](C)NC(=O)C[C@H]1CSCC[NH2+]1 ZINC000158716088 487972393 /nfs/dbraw/zinc/97/23/93/487972393.db2.gz NFYKEFJYHLKKRG-IUCAKERBSA-N 1 0 214.334 0.772 20 30 BCEDRO COCC#CC[NH+]1CCC(OCCCO)CC1 ZINC000677819913 488135538 /nfs/dbraw/zinc/13/55/38/488135538.db2.gz DDCVSFPAORWPNR-UHFFFAOYSA-N 1 0 241.331 0.500 20 30 BCEDRO COCC#CC[N@H+](C)CC1(O)CCCC1 ZINC000677820147 488135565 /nfs/dbraw/zinc/13/55/65/488135565.db2.gz YZZSPKFECTVRFK-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CCOCCNC(=O)CC(C)(C)[NH3+] ZINC000379497788 488140389 /nfs/dbraw/zinc/14/03/89/488140389.db2.gz CLCSOFLWJXHATH-UHFFFAOYSA-N 1 0 200.282 0.433 20 30 BCEDRO C=CCCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000670406916 488147764 /nfs/dbraw/zinc/14/77/64/488147764.db2.gz GNUZFRIOVJCNEN-GFCCVEGCSA-N 1 0 237.347 0.459 20 30 BCEDRO C=CCOCCNC(=O)[C@H]([NH3+])CC(F)F ZINC000379796119 488150892 /nfs/dbraw/zinc/15/08/92/488150892.db2.gz KMBGXHBXJAVQRM-SSDOTTSWSA-N 1 0 222.235 0.288 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H]1C(C)(C)O ZINC000677895679 488152410 /nfs/dbraw/zinc/15/24/10/488152410.db2.gz BZANDNQOEXXKKC-NSHDSACASA-N 1 0 211.305 0.872 20 30 BCEDRO COCC#CC[N@H+](C)[C@H](CO)COC(C)C ZINC000683371951 488154776 /nfs/dbraw/zinc/15/47/76/488154776.db2.gz FROUBFAXQGNFRS-GFCCVEGCSA-N 1 0 229.320 0.354 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000667926983 488160212 /nfs/dbraw/zinc/16/02/12/488160212.db2.gz HIHQYVQKQXJSKY-MNOVXSKESA-N 1 0 224.304 0.446 20 30 BCEDRO C=C(C)COCC[NH2+][C@H](C)Cn1cncn1 ZINC000657925593 488182409 /nfs/dbraw/zinc/18/24/09/488182409.db2.gz DWQKPPROCQJZFQ-LLVKDONJSA-N 1 0 224.308 0.849 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000668022428 488188437 /nfs/dbraw/zinc/18/84/37/488188437.db2.gz GKQFSIHZVCDKQH-PWSUYJOCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCOCCNC(=O)[C@H]([NH3+])C(C)C ZINC000308509551 488206476 /nfs/dbraw/zinc/20/64/76/488206476.db2.gz BHZNYDGGFSOXHP-SECBINFHSA-N 1 0 200.282 0.289 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000669555429 488216570 /nfs/dbraw/zinc/21/65/70/488216570.db2.gz XUKBTERYKSIJKZ-WDEREUQCSA-N 1 0 241.335 0.581 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000684008146 488254557 /nfs/dbraw/zinc/25/45/57/488254557.db2.gz MEXNPJWFLZHKLQ-ZWNOBZJWSA-N 1 0 249.314 0.462 20 30 BCEDRO CCC#C[C@@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829789 490146409 /nfs/dbraw/zinc/14/64/09/490146409.db2.gz XMDBLNCRXWQPOT-FRRDWIJNSA-N 1 0 222.332 0.539 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000611140414 490197456 /nfs/dbraw/zinc/19/74/56/490197456.db2.gz FZIPQBDITRVCOU-ZJUUUORDSA-N 1 0 215.293 0.664 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@@H](C)C[NH2+]C)nn1 ZINC000662967195 490245616 /nfs/dbraw/zinc/24/56/16/490245616.db2.gz GIFGBQURYWQQKU-VIFPVBQESA-N 1 0 237.307 0.192 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000668101708 490330310 /nfs/dbraw/zinc/33/03/10/490330310.db2.gz ZKOBNBGLMASNAI-ZDUSSCGKSA-N 1 0 240.347 0.866 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000491623431 491079445 /nfs/dbraw/zinc/07/94/45/491079445.db2.gz FZRISZKRRLSXMD-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C#C[C@@H]1COCCN1CC[C@H]1CCC[N@H+]1C ZINC000491662358 491080050 /nfs/dbraw/zinc/08/00/50/491080050.db2.gz QSBKICNPSLUHLT-CHWSQXEVSA-N 1 0 222.332 0.805 20 30 BCEDRO C[C@@H](CNS(=O)(=O)CCCC#N)C[NH+](C)C ZINC000490040077 534067965 /nfs/dbraw/zinc/06/79/65/534067965.db2.gz MOKQYCJOYUTXAK-JTQLQIEISA-N 1 0 247.364 0.407 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891765465 582718132 /nfs/dbraw/zinc/71/81/32/582718132.db2.gz RCNDEAUZSKZMQG-VHSXEESVSA-N 1 0 227.308 0.320 20 30 BCEDRO C#CCCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000891847679 582729770 /nfs/dbraw/zinc/72/97/70/582729770.db2.gz COCZZPSIIZFBEP-RYUDHWBXSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891849116 582729930 /nfs/dbraw/zinc/72/99/30/582729930.db2.gz UWQWUEBRLUUOMP-UHFFFAOYSA-N 1 0 211.309 0.826 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@H]2CCCO[C@H]2C1(C)C ZINC000262347457 536305361 /nfs/dbraw/zinc/30/53/61/536305361.db2.gz AKZDEEICBFOHPN-IWSPIJDZSA-N 1 0 211.309 0.724 20 30 BCEDRO CC(=O)NCCCNC(=[NH2+])N1CCC(C)CC1 ZINC000194686117 534361840 /nfs/dbraw/zinc/36/18/40/534361840.db2.gz FCIXFOKNYBIVPL-UHFFFAOYSA-N 1 0 240.351 0.559 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1CNC1=[NH+]CCCN1 ZINC000262787971 534366713 /nfs/dbraw/zinc/36/67/13/534366713.db2.gz JXQCTZSJCYSJMA-WDEREUQCSA-N 1 0 223.320 0.907 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000358500899 534385804 /nfs/dbraw/zinc/38/58/04/534385804.db2.gz RKMBHJRREUSLJX-LLVKDONJSA-N 1 0 246.376 0.953 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@H](NC(=O)NC)C1 ZINC000342375915 534399348 /nfs/dbraw/zinc/39/93/48/534399348.db2.gz XHOKJTVENSLCRE-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NCC[N@@H+](CC)C(C)C ZINC000358792793 534523724 /nfs/dbraw/zinc/52/37/24/534523724.db2.gz OSRPQSAVYKXNPE-NSHDSACASA-N 1 0 243.351 0.563 20 30 BCEDRO C=C[C@@H](CO)NC(=O)c1ccc2c[nH+]cn2c1 ZINC000356860505 534533909 /nfs/dbraw/zinc/53/39/09/534533909.db2.gz LRAJEUBPXTVMPW-JTQLQIEISA-N 1 0 231.255 0.611 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cc(CC)n[nH]1 ZINC000849007630 582822058 /nfs/dbraw/zinc/82/20/58/582822058.db2.gz HMWINYZAAYOYTR-UHFFFAOYSA-N 1 0 207.281 0.772 20 30 BCEDRO C=C[C@@H](CO)NC1CC[NH+](CCC)CC1 ZINC000308968686 534538958 /nfs/dbraw/zinc/53/89/58/534538958.db2.gz XPOOEPXRFXIGKU-NSHDSACASA-N 1 0 212.337 0.997 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000289946504 534540135 /nfs/dbraw/zinc/54/01/35/534540135.db2.gz UPWLBSWREBTUDU-VIFPVBQESA-N 1 0 224.260 0.438 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H]1CC[NH2+]C1 ZINC000333669493 534568050 /nfs/dbraw/zinc/56/80/50/534568050.db2.gz YCDVSZSZYVIBQZ-MXWKQRLJSA-N 1 0 239.319 0.381 20 30 BCEDRO CNC(N[C@H](C)CCC(=O)OC(C)C)=[NH+]C ZINC000849024660 582830297 /nfs/dbraw/zinc/83/02/97/582830297.db2.gz XSGAQEWWGCROOL-SECBINFHSA-N 1 0 229.324 0.902 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC1=[NH+]CCN1C ZINC000263030412 534581845 /nfs/dbraw/zinc/58/18/45/534581845.db2.gz GYKOIXKMFHXZSF-UWVGGRQHSA-N 1 0 209.293 0.469 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000263079063 534581929 /nfs/dbraw/zinc/58/19/29/534581929.db2.gz REUDTXUROCJRRR-GUBZILKMSA-N 1 0 209.293 0.515 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH2+][C@H](C)C1 ZINC000333836357 534600755 /nfs/dbraw/zinc/60/07/55/534600755.db2.gz UILQEKYITPKQMP-MXWKQRLJSA-N 1 0 239.319 0.333 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333741133 534603845 /nfs/dbraw/zinc/60/38/45/534603845.db2.gz IUYWSRWRTUVVHP-AXFHLTTASA-N 1 0 239.319 0.381 20 30 BCEDRO C=CCCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000352198594 534607268 /nfs/dbraw/zinc/60/72/68/534607268.db2.gz XITXWOVYEUMZLY-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCCC(=O)NC[C@](C)(O)CC[NH+](C)C ZINC000352112180 534615587 /nfs/dbraw/zinc/61/55/87/534615587.db2.gz QXBCPGXPUXTTEW-GFCCVEGCSA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCCC(=O)NC[C@H]1C[N@@H+]2CCC[C@@H]2CO1 ZINC000361504056 534616128 /nfs/dbraw/zinc/61/61/28/534616128.db2.gz RTBNEJBWJSHYFX-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NCC(C)C)nn1 ZINC000849044466 582840120 /nfs/dbraw/zinc/84/01/20/582840120.db2.gz QDQFMGBHMQWFFS-UHFFFAOYSA-N 1 0 236.323 0.734 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N(C)CC[NH+]1CCCC1 ZINC000354294930 534619985 /nfs/dbraw/zinc/61/99/85/534619985.db2.gz GKQUTYAXWJUYIT-CYBMUJFWSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331753895 534630187 /nfs/dbraw/zinc/63/01/87/534630187.db2.gz HRTMKQCYOHOOMS-ZWNOBZJWSA-N 1 0 238.331 0.666 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331753892 534630469 /nfs/dbraw/zinc/63/04/69/534630469.db2.gz HRTMKQCYOHOOMS-GXFFZTMASA-N 1 0 238.331 0.666 20 30 BCEDRO C=C[C@H](C)NC(=O)CN1CC[NH+](CC)CC1 ZINC000362610460 534634251 /nfs/dbraw/zinc/63/42/51/534634251.db2.gz GPULWDGTHVCXBX-NSHDSACASA-N 1 0 225.336 0.315 20 30 BCEDRO CC(C)(C)NC(=[NH2+])N[C@@H]1C[C@@H](O)C1(C)C ZINC000189263755 534663882 /nfs/dbraw/zinc/66/38/82/534663882.db2.gz PZGOFDMAHBOIMM-HTQZYQBOSA-N 1 0 213.325 0.849 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NC[C@H]1CCC[C@@H]1O ZINC000084239251 534662737 /nfs/dbraw/zinc/66/27/37/534662737.db2.gz JRXQDHWENFWLNG-BDAKNGLRSA-N 1 0 213.325 0.850 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000358953713 534679633 /nfs/dbraw/zinc/67/96/33/534679633.db2.gz ZKYLIZCJPBXCGE-AXFHLTTASA-N 1 0 241.335 0.315 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CN(C2CC2)C[C@H]1C ZINC000309109189 534685341 /nfs/dbraw/zinc/68/53/41/534685341.db2.gz JBZFQJDBPZESAK-FOGDFJRCSA-N 1 0 210.321 0.606 20 30 BCEDRO C=CCCC[N@@H+](C)C[C@@](C)(O)C(=O)OC ZINC000343877407 534706306 /nfs/dbraw/zinc/70/63/06/534706306.db2.gz RLEVVBAWRBPAQT-LLVKDONJSA-N 1 0 215.293 0.808 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000335611548 534706960 /nfs/dbraw/zinc/70/69/60/534706960.db2.gz HHMYMNFHUXMKNT-GHMZBOCLSA-N 1 0 223.320 0.649 20 30 BCEDRO C=CCCC[N@@H+](C)CCCS(=O)(=O)NC ZINC000076737590 534707887 /nfs/dbraw/zinc/70/78/87/534707887.db2.gz XEVCSUYCXNJMAT-UHFFFAOYSA-N 1 0 234.365 0.824 20 30 BCEDRO CC#CC[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000305193814 534708484 /nfs/dbraw/zinc/70/84/84/534708484.db2.gz DKGUGZOCCUXHHO-NSHDSACASA-N 1 0 225.288 0.256 20 30 BCEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)NCC(=O)OC ZINC000121075258 534713582 /nfs/dbraw/zinc/71/35/82/534713582.db2.gz YTDNAUKGCZBCOE-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)NC(N)=O ZINC000121148773 534714060 /nfs/dbraw/zinc/71/40/60/534714060.db2.gz FFQOOFZBESRWQC-MRVPVSSYSA-N 1 0 213.281 0.468 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000335294311 534714441 /nfs/dbraw/zinc/71/44/41/534714441.db2.gz FPWFPNTXVIVYOG-NXEZZACHSA-N 1 0 209.293 0.449 20 30 BCEDRO C=CCCC[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000342359037 534718336 /nfs/dbraw/zinc/71/83/36/534718336.db2.gz VELBKYMJWRFUEZ-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000338549972 534767304 /nfs/dbraw/zinc/76/73/04/534767304.db2.gz ZVSZBVQBBZXVTF-SNVBAGLBSA-N 1 0 217.334 0.929 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000261545049 534784922 /nfs/dbraw/zinc/78/49/22/534784922.db2.gz JMTZRBSCJNUKNE-VHSXEESVSA-N 1 0 232.349 0.561 20 30 BCEDRO C=CCN(CC=C)C(=O)COC1CC[NH2+]CC1 ZINC000111757322 534822202 /nfs/dbraw/zinc/82/22/02/534822202.db2.gz PYABNJCWMUCXIG-UHFFFAOYSA-N 1 0 238.331 0.956 20 30 BCEDRO C=CC[NH+](CC=C)C[C@@](C)(O)C(=O)OC ZINC000070714636 534830576 /nfs/dbraw/zinc/83/05/76/534830576.db2.gz DYPZHKCOXBPQFE-LLVKDONJSA-N 1 0 213.277 0.584 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](CCC)CCO ZINC000267406116 534842984 /nfs/dbraw/zinc/84/29/84/534842984.db2.gz HABSKVRRDOBQIV-SNVBAGLBSA-N 1 0 213.325 0.875 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1cnn(C)c1 ZINC000261878454 534844677 /nfs/dbraw/zinc/84/46/77/534844677.db2.gz QKFXWOKTJUJAHE-UHFFFAOYSA-N 1 0 207.281 0.053 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CCCCS1(=O)=O ZINC000262282008 534845341 /nfs/dbraw/zinc/84/53/41/534845341.db2.gz VVBSIGIKIKHPGI-VIFPVBQESA-N 1 0 245.348 0.044 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000262175409 534855902 /nfs/dbraw/zinc/85/59/02/534855902.db2.gz PMZSVMKDTXDIPS-JTQLQIEISA-N 1 0 238.335 0.335 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000262175413 534856277 /nfs/dbraw/zinc/85/62/77/534856277.db2.gz PMZSVMKDTXDIPS-SNVBAGLBSA-N 1 0 238.335 0.335 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1[C@@H](C)[C@@H](OC)C1(C)C ZINC000355330528 534859037 /nfs/dbraw/zinc/85/90/37/534859037.db2.gz XVCNBAMWAXSNTH-YUSALJHKSA-N 1 0 240.347 0.938 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185880231 534859288 /nfs/dbraw/zinc/85/92/88/534859288.db2.gz SEHKDRABLQAKPJ-MNOVXSKESA-N 1 0 221.304 0.961 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@]1(C)CCO[C@@H]1C ZINC000336764285 534859490 /nfs/dbraw/zinc/85/94/90/534859490.db2.gz QACQKQYECLTSPZ-KOLCDFICSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCOCC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000261544812 534868053 /nfs/dbraw/zinc/86/80/53/534868053.db2.gz JCXZTEBWCCRTQQ-VHSXEESVSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCOCC(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000348764370 534868063 /nfs/dbraw/zinc/86/80/63/534868063.db2.gz PUHTZJSPWLMRJX-GFCCVEGCSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CCOCC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000341792026 534868644 /nfs/dbraw/zinc/86/86/44/534868644.db2.gz SXAXYJXZJWNPIC-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCOCC(=O)NCC[N@@H+](C)CC ZINC000356642500 534869714 /nfs/dbraw/zinc/86/97/14/534869714.db2.gz MIWKYVVAOMBKNL-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO C=CCOCCC[N@@H+](CCO)C[C@@H](C)O ZINC000351935701 534874820 /nfs/dbraw/zinc/87/48/20/534874820.db2.gz KCYKQJHACYCCBJ-LLVKDONJSA-N 1 0 217.309 0.254 20 30 BCEDRO C=CCOCCC[NH2+][C@H](CO)c1cnn(C)c1 ZINC000348023595 534875473 /nfs/dbraw/zinc/87/54/73/534875473.db2.gz BHQJYUGBGSWJGD-GFCCVEGCSA-N 1 0 239.319 0.636 20 30 BCEDRO C=CCOCCC[NH2+][C@H](CO)[C@@H]1CCCO1 ZINC000336715604 534875768 /nfs/dbraw/zinc/87/57/68/534875768.db2.gz VMLVAJGCMTWWCN-NEPJUHHUSA-N 1 0 229.320 0.709 20 30 BCEDRO C=CCOCC[N@@H+](CCO)[C@H]1CCO[C@@H]1C ZINC000339148028 534876885 /nfs/dbraw/zinc/87/68/85/534876885.db2.gz KGDAAPLPNZRCQP-NEPJUHHUSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCN(CCOC)C(=O)/C=C/C[NH+](C)C ZINC000493216197 526276390 /nfs/dbraw/zinc/27/63/90/526276390.db2.gz BJMXOMUSIHYNBX-VOTSOKGWSA-N 1 0 226.320 0.765 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000496910647 526363964 /nfs/dbraw/zinc/36/39/64/526363964.db2.gz PIXIQEXJZVYMKX-LLVKDONJSA-N 1 0 222.288 0.784 20 30 BCEDRO N#CCC(=O)NCCC[NH+]1CCCCC1 ZINC000229010487 526442140 /nfs/dbraw/zinc/44/21/40/526442140.db2.gz OHSPBYASKBTTJQ-UHFFFAOYSA-N 1 0 209.293 0.892 20 30 BCEDRO C=CC[N@H+]1CCC[C@H]1CS(=O)(=O)NC ZINC000494709190 526456375 /nfs/dbraw/zinc/45/63/75/526456375.db2.gz MYPYIAQFVLFTHY-VIFPVBQESA-N 1 0 218.322 0.186 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401895601 526625119 /nfs/dbraw/zinc/62/51/19/526625119.db2.gz JYRZOIQRTLLFJI-HBNTYKKESA-N 1 0 226.320 0.380 20 30 BCEDRO C#CCCC[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495138367 526708868 /nfs/dbraw/zinc/70/88/68/526708868.db2.gz ITZFVKUYRAUQKJ-UHFFFAOYSA-N 1 0 222.288 0.974 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000491746433 526856319 /nfs/dbraw/zinc/85/63/19/526856319.db2.gz LKFJBOSSZSPRSH-LBPRGKRZSA-N 1 0 233.315 0.392 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@@H](C)[NH2+]CC ZINC000491767764 526888549 /nfs/dbraw/zinc/88/85/49/526888549.db2.gz HCWYAUBMBNUDIQ-SNVBAGLBSA-N 1 0 211.309 0.649 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000491382080 526890874 /nfs/dbraw/zinc/89/08/74/526890874.db2.gz HLWNVEDRULKACW-WDEREUQCSA-N 1 0 223.320 0.649 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000270919555 526890440 /nfs/dbraw/zinc/89/04/40/526890440.db2.gz IVQJSCQVDFTWFT-SECBINFHSA-N 1 0 246.738 0.823 20 30 BCEDRO C#CCN(CC)C(=S)NCCC[NH+](C)C ZINC000490574440 526895223 /nfs/dbraw/zinc/89/52/23/526895223.db2.gz WSXPXYDCMGZZPW-UHFFFAOYSA-N 1 0 227.377 0.768 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC([C@H](C)O)CC1 ZINC000491067370 526975570 /nfs/dbraw/zinc/97/55/70/526975570.db2.gz HXURWULGSMABMT-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@](C)(CC)C1 ZINC000491067337 526978736 /nfs/dbraw/zinc/97/87/36/526978736.db2.gz HQXKMSDAAZIMHT-CYBMUJFWSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCOCC1CC1 ZINC000491460878 526981465 /nfs/dbraw/zinc/98/14/65/526981465.db2.gz BIIDJOXIJQKBKB-UHFFFAOYSA-N 1 0 238.331 0.532 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(=C)Br ZINC000491760190 526981676 /nfs/dbraw/zinc/98/16/76/526981676.db2.gz PSADPHFVRQGWNU-UHFFFAOYSA-N 1 0 245.120 0.624 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cc(C)no1 ZINC000491772351 526984336 /nfs/dbraw/zinc/98/43/36/526984336.db2.gz UIIHGLAWYRRRAY-UHFFFAOYSA-N 1 0 221.260 0.212 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccncc1CC ZINC000491474674 526984799 /nfs/dbraw/zinc/98/47/99/526984799.db2.gz OZECPACMFFFLAJ-UHFFFAOYSA-N 1 0 245.326 0.873 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccc(C)n1 ZINC000491617233 526985173 /nfs/dbraw/zinc/98/51/73/526985173.db2.gz BQOQKVWVOKZBLC-UHFFFAOYSA-N 1 0 231.299 0.619 20 30 BCEDRO C#CCNC(=O)NCC1CC[NH+](CC)CC1 ZINC000491671333 527010671 /nfs/dbraw/zinc/01/06/71/527010671.db2.gz QEVZKUWNFIMZHO-UHFFFAOYSA-N 1 0 223.320 0.651 20 30 BCEDRO C#CC[NH2+][C@H]1CCCC[C@@H]1NS(C)(=O)=O ZINC000309072172 527061599 /nfs/dbraw/zinc/06/15/99/527061599.db2.gz FIMMXKQIXDFCGP-UWVGGRQHSA-N 1 0 230.333 0.070 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495090447 527082708 /nfs/dbraw/zinc/08/27/08/527082708.db2.gz IARKLLLZEUCUJJ-GHMZBOCLSA-N 1 0 240.347 0.818 20 30 BCEDRO C#C[C@@H](NC(=O)NCC(C)(C)[NH3+])C(C)C ZINC000491815415 527274716 /nfs/dbraw/zinc/27/47/16/527274716.db2.gz ULAJOPRQAQOGBC-SECBINFHSA-N 1 0 211.309 0.681 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)Cn1cccn1)C(C)C ZINC000300947001 527291693 /nfs/dbraw/zinc/29/16/93/527291693.db2.gz PHOFPOFJAPXXST-VXGBXAGGSA-N 1 0 221.304 0.491 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCCC[NH2+]C1CC1 ZINC000491745720 527320639 /nfs/dbraw/zinc/32/06/39/527320639.db2.gz NPGYRRZYHZZJOU-JTQLQIEISA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000491048111 527332030 /nfs/dbraw/zinc/33/20/30/527332030.db2.gz WXIWFHXGIJVHNV-WDEREUQCSA-N 1 0 244.360 0.221 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)COCCOC)C(C)C ZINC000300854676 527409564 /nfs/dbraw/zinc/40/95/64/527409564.db2.gz FSVCZMJMGVFTAY-NEPJUHHUSA-N 1 0 229.320 0.258 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)/C=C\C[NH+](C)C ZINC000493318484 527490021 /nfs/dbraw/zinc/49/00/21/527490021.db2.gz IAAWHSPTZHCOET-YGABWQLJSA-N 1 0 238.331 0.812 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1C[C@H](OC)[C@@H](OC)C1 ZINC000487999733 527494116 /nfs/dbraw/zinc/49/41/16/527494116.db2.gz BXEKUKVEUAIVPK-SRVKXCTJSA-N 1 0 229.320 0.659 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000424463640 527495657 /nfs/dbraw/zinc/49/56/57/527495657.db2.gz HBIBHMXWPVPFHT-ZNSHCXBVSA-N 1 0 241.335 0.612 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ncccc1C ZINC000262546946 536520405 /nfs/dbraw/zinc/52/04/05/536520405.db2.gz VSTGUGUDWBVBPF-SNVBAGLBSA-N 1 0 236.319 0.829 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccccn1 ZINC000262176508 536520951 /nfs/dbraw/zinc/52/09/51/536520951.db2.gz BBZNUKWGFVWHDN-SECBINFHSA-N 1 0 222.292 0.521 20 30 BCEDRO N#C[C@@]1(F)CCN(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)C1 ZINC000892558461 582912842 /nfs/dbraw/zinc/91/28/42/582912842.db2.gz WVFFLHVTTCEOBT-NGZCFLSTSA-N 1 0 240.282 0.371 20 30 BCEDRO CC[C@@H](C#N)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487083426 529268473 /nfs/dbraw/zinc/26/84/73/529268473.db2.gz KUABPJXBYDNIDO-LPEHRKFASA-N 1 0 209.293 0.602 20 30 BCEDRO CC(C)(C#N)C(=O)N1CC[NH+]2CCC1CC2 ZINC000336450276 534968758 /nfs/dbraw/zinc/96/87/58/534968758.db2.gz SITNJGXRZMNALN-UHFFFAOYSA-N 1 0 221.304 0.843 20 30 BCEDRO CC1(CNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000262432876 535098596 /nfs/dbraw/zinc/09/85/96/535098596.db2.gz FQWSFOYZZLOLFM-SECBINFHSA-N 1 0 211.309 0.870 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000259436673 535127435 /nfs/dbraw/zinc/12/74/35/535127435.db2.gz OLTRJGQYZLPCMD-NXEZZACHSA-N 1 0 209.293 0.602 20 30 BCEDRO CC(C)C[N@@H+]1CC[C@H](CNC(=O)CC#N)C1 ZINC000357378682 535135670 /nfs/dbraw/zinc/13/56/70/535135670.db2.gz OBSRGUYSYFEDAT-LLVKDONJSA-N 1 0 223.320 0.994 20 30 BCEDRO CC[NH+]=C(NCCO)NC[C@]1(C)CCCO1 ZINC000261681406 535261574 /nfs/dbraw/zinc/26/15/74/535261574.db2.gz DECQRMBSAULYHX-NSHDSACASA-N 1 0 229.324 0.103 20 30 BCEDRO CC[NH+]=C(NC[C@@H]1COCCO1)NC(C)(C)C ZINC000263275463 535266102 /nfs/dbraw/zinc/26/61/02/535266102.db2.gz YGDJMPFSZSPFBL-SNVBAGLBSA-N 1 0 243.351 0.755 20 30 BCEDRO CCN(CC)C(=[NH2+])N[C@@H]1C[C@@H](O)C1(C)C ZINC000262465474 535390694 /nfs/dbraw/zinc/39/06/94/535390694.db2.gz XSLANWBKKQLXPS-RKDXNWHRSA-N 1 0 213.325 0.802 20 30 BCEDRO CC[C@@H](C(=O)NCC(C)(C)C#N)[NH+](C)C ZINC000359644679 535405365 /nfs/dbraw/zinc/40/53/65/535405365.db2.gz FGDRPMRTYHQINO-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(C(=O)N(C)C)cc1 ZINC000264147316 535423967 /nfs/dbraw/zinc/42/39/67/535423967.db2.gz YGCXXBBRNCRLJA-UHFFFAOYSA-N 1 0 248.330 0.813 20 30 BCEDRO CCNC(=O)c1cccc(CNC(N)=[NH2+])c1 ZINC000264081382 535441105 /nfs/dbraw/zinc/44/11/05/535441105.db2.gz HJQKZVZDZOWHLG-UHFFFAOYSA-N 1 0 220.276 0.210 20 30 BCEDRO CCO[C@@H]1C[C@H](NC(=[NH2+])NC)[C@@]12CCCO2 ZINC000262384694 535448124 /nfs/dbraw/zinc/44/81/24/535448124.db2.gz PLYFDVKVOCPFAS-NGZCFLSTSA-N 1 0 227.308 0.247 20 30 BCEDRO CC[NH+](CC)CC(=O)N(CC#N)C1CC1 ZINC000355448552 535488414 /nfs/dbraw/zinc/48/84/14/535488414.db2.gz ONXOWHRSBQBPHP-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO CC[NH+](CC)CCSCC(=O)NCC#N ZINC000174027332 535569586 /nfs/dbraw/zinc/56/95/86/535569586.db2.gz XLBSPGLAJXSDKU-UHFFFAOYSA-N 1 0 229.349 0.701 20 30 BCEDRO CCNC(NCc1nccn1C)=[NH+]CC ZINC000264324860 535786809 /nfs/dbraw/zinc/78/68/09/535786809.db2.gz YPPAVDKPMAINJF-UHFFFAOYSA-N 1 0 209.297 0.495 20 30 BCEDRO CCNC(NCCc1nnc(C)s1)=[NH+]CC ZINC000290744767 535786896 /nfs/dbraw/zinc/78/68/96/535786896.db2.gz XMSJMPDMPLRZKO-UHFFFAOYSA-N 1 0 241.364 0.964 20 30 BCEDRO CC[C@](C)(O)CNC(=[NH2+])NCC1CCC1 ZINC000170912743 535841331 /nfs/dbraw/zinc/84/13/31/535841331.db2.gz MAPFBAUGIMSOHX-NSHDSACASA-N 1 0 213.325 0.852 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(C(=O)NCCC#N)C1 ZINC000408367973 535962330 /nfs/dbraw/zinc/96/23/30/535962330.db2.gz ZYMGNUXGENHWBI-SNVBAGLBSA-N 1 0 224.308 0.493 20 30 BCEDRO CN(C)C1(CNC2=[NH+]CCCN2C)CC1 ZINC000263095857 536111401 /nfs/dbraw/zinc/11/14/01/536111401.db2.gz JJEDTFCCLJRQHW-UHFFFAOYSA-N 1 0 210.325 0.362 20 30 BCEDRO CC[C@H](C)NC(NCc1nc(C)no1)=[NH+]C ZINC000263243362 536146214 /nfs/dbraw/zinc/14/62/14/536146214.db2.gz MAEFLMVCJHGWQH-ZETCQYMHSA-N 1 0 225.296 0.842 20 30 BCEDRO CNC(=[NH2+])NCc1nnc2n1CCCCC2 ZINC000261723995 536305186 /nfs/dbraw/zinc/30/51/86/536305186.db2.gz GIGGMXLGMGEMAO-UHFFFAOYSA-N 1 0 222.296 0.039 20 30 BCEDRO CN(CCC[NH+]1CCCC1)CC(=O)NCC#N ZINC000337270436 536346639 /nfs/dbraw/zinc/34/66/39/536346639.db2.gz MRAKSJXMLCVSSP-UHFFFAOYSA-N 1 0 238.335 0.044 20 30 BCEDRO CN(CCCNC(N)=[NH2+])CC(F)(F)F ZINC000303268587 536348766 /nfs/dbraw/zinc/34/87/66/536348766.db2.gz YTLMMEOIBQWTMG-UHFFFAOYSA-N 1 0 212.219 0.144 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC(F)(C#N)CC1 ZINC000359354984 536367033 /nfs/dbraw/zinc/36/70/33/536367033.db2.gz YIBGXHWMHWRHDI-SNVBAGLBSA-N 1 0 239.294 0.935 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)CCCC#N ZINC000360040007 536391467 /nfs/dbraw/zinc/39/14/67/536391467.db2.gz VUCCKLMVXCRHPY-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C[N@H+]1C[C@H]2CN(C(=O)CCCC#N)C[C@H]2C1 ZINC000335845560 536488936 /nfs/dbraw/zinc/48/89/36/536488936.db2.gz HHCMMADVDQNVPC-PHIMTYICSA-N 1 0 221.304 0.700 20 30 BCEDRO COC1(CNC(=[NH2+])N2CCO[C@@H](C)C2)CCC1 ZINC000262498645 536592759 /nfs/dbraw/zinc/59/27/59/536592759.db2.gz XKZXUHPTLSSIGT-JTQLQIEISA-N 1 0 241.335 0.591 20 30 BCEDRO COC1(CNC(=[NH2+])N2CCO[C@H](C)C2)CCC1 ZINC000262498647 536593503 /nfs/dbraw/zinc/59/35/03/536593503.db2.gz XKZXUHPTLSSIGT-SNVBAGLBSA-N 1 0 241.335 0.591 20 30 BCEDRO COCCCOc1cccc(CNC(N)=[NH2+])c1 ZINC000269676777 536626318 /nfs/dbraw/zinc/62/63/18/536626318.db2.gz DDVLAOYZPOMCPP-UHFFFAOYSA-N 1 0 237.303 0.875 20 30 BCEDRO COc1cc(CNC2=[NH+]C[C@@H](C)N2)ccn1 ZINC000261585952 536712451 /nfs/dbraw/zinc/71/24/51/536712451.db2.gz QSDYNYKAWSOUFF-MRVPVSSYSA-N 1 0 220.276 0.528 20 30 BCEDRO CO[C@@H]1COCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000263087006 536748829 /nfs/dbraw/zinc/74/88/29/536748829.db2.gz IMIIHBYRXGDQEQ-VHSXEESVSA-N 1 0 229.324 0.351 20 30 BCEDRO CO[C@@](C)(CNC1=[NH+]C[C@H](C)N1)C1CC1 ZINC000261538556 536820737 /nfs/dbraw/zinc/82/07/37/536820737.db2.gz YNDRSVGFAVYHLQ-KWQFWETISA-N 1 0 211.309 0.739 20 30 BCEDRO COc1cccc(CNC2=[NH+]CCN2C)n1 ZINC000262674135 537096875 /nfs/dbraw/zinc/09/68/75/537096875.db2.gz SKBGIOOYRKSINM-UHFFFAOYSA-N 1 0 220.276 0.481 20 30 BCEDRO COc1cccnc1CNC(=[NH2+])NC(C)C ZINC000263029965 537111531 /nfs/dbraw/zinc/11/15/31/537111531.db2.gz BCTGFMIIQILPDW-UHFFFAOYSA-N 1 0 222.292 0.903 20 30 BCEDRO CCC#C[C@@H](C)N1CC[NH+](CCO)CC1 ZINC000677047967 566296979 /nfs/dbraw/zinc/29/69/79/566296979.db2.gz LZPWDCSLTWOPJN-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO CN1C[C@@H]([NH2+]C[C@@H](C#N)CCC#N)CCC1=O ZINC000574962370 566325600 /nfs/dbraw/zinc/32/56/00/566325600.db2.gz QVUDTAKRDNAWQU-MNOVXSKESA-N 1 0 234.303 0.640 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H]([C@@H]2CC[NH2+]C2)C1 ZINC000491633161 566451477 /nfs/dbraw/zinc/45/14/77/566451477.db2.gz RJZCJPIUYPDLDC-VXGBXAGGSA-N 1 0 235.331 0.651 20 30 BCEDRO C=CCN(C(=O)[C@@]1(F)CC[NH2+]C1)[C@@H](C)COC ZINC000852901882 583022674 /nfs/dbraw/zinc/02/26/74/583022674.db2.gz UNIHJGYWIWNMKY-CMPLNLGQSA-N 1 0 244.310 0.738 20 30 BCEDRO CNC(NC[C@@H]1CC(=O)N(C(C)(C)C)C1)=[NH+]C ZINC000853013318 583022923 /nfs/dbraw/zinc/02/29/23/583022923.db2.gz WSWBRCDNWIKQIJ-VIFPVBQESA-N 1 0 240.351 0.428 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)c1ccccn1 ZINC000853104941 588720496 /nfs/dbraw/zinc/72/04/96/588720496.db2.gz MCMVOMCXAPSRLI-LBPRGKRZSA-N 1 0 220.272 0.354 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)CSC)C1CCOCC1 ZINC000853114979 588719623 /nfs/dbraw/zinc/71/96/23/588719623.db2.gz BYGNYXLMPQYLTM-VXGBXAGGSA-N 1 0 243.372 0.728 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)c1ccccn1 ZINC000853111390 588721270 /nfs/dbraw/zinc/72/12/70/588721270.db2.gz UKCZACGFMJQNRI-DGCLKSJQSA-N 1 0 234.299 0.479 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)C1CC1)C1CCOCC1 ZINC000853115912 588721616 /nfs/dbraw/zinc/72/16/16/588721616.db2.gz DMXHBUMSWLBSDK-OLZOCXBDSA-N 1 0 223.316 0.775 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)C1CC1)C1CCOCC1 ZINC000853115913 588721619 /nfs/dbraw/zinc/72/16/19/588721619.db2.gz DMXHBUMSWLBSDK-QWHCGFSZSA-N 1 0 223.316 0.775 20 30 BCEDRO COCCON=C(N)C[NH+]1CCCCCC1 ZINC000111178760 588727575 /nfs/dbraw/zinc/72/75/75/588727575.db2.gz KBJUZVCXSXMRGT-UHFFFAOYSA-N 1 0 229.324 0.798 20 30 BCEDRO C[C@H]1CNC(NN=C2CO[C@H](C3CC3)C2)=[NH+]1 ZINC000853329696 588733653 /nfs/dbraw/zinc/73/36/53/588733653.db2.gz CNUMPXVNWVUUKZ-XVKPBYJWSA-N 1 0 222.292 0.479 20 30 BCEDRO CC[C@H]1COCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000853330482 588733679 /nfs/dbraw/zinc/73/36/79/588733679.db2.gz NLNYAUUDAHXGDF-YUMQZZPRSA-N 1 0 210.281 0.336 20 30 BCEDRO C#C[C@H](CC)NC(=O)NCCNc1cc[nH+]cc1 ZINC000854070604 588773006 /nfs/dbraw/zinc/77/30/06/588773006.db2.gz OSTZQRNAOCSQQW-LLVKDONJSA-N 1 0 246.314 0.626 20 30 BCEDRO C#C[C@H](CC)NC(=O)N(C)CC[NH+](C)C ZINC000854072897 588773090 /nfs/dbraw/zinc/77/30/90/588773090.db2.gz NBVJRXIKRXJVGJ-SNVBAGLBSA-N 1 0 211.309 0.601 20 30 BCEDRO C=CCONC(=O)N(C)CC1C[NH+](C)C1 ZINC000854117354 588774908 /nfs/dbraw/zinc/77/49/08/588774908.db2.gz CPBIDJOLHMWKEJ-UHFFFAOYSA-N 1 0 213.281 0.307 20 30 BCEDRO C=CCC(F)(F)C(=O)N[C@H](CO)C[NH+](C)C ZINC000854463578 588787696 /nfs/dbraw/zinc/78/76/96/588787696.db2.gz DEGBRTXJXZIYFW-QMMMGPOBSA-N 1 0 236.262 0.237 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)C(OC)OC ZINC000854465838 588788450 /nfs/dbraw/zinc/78/84/50/588788450.db2.gz ZSEGXHFNEIETBD-VIFPVBQESA-N 1 0 230.308 0.228 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000854655329 588799634 /nfs/dbraw/zinc/79/96/34/588799634.db2.gz PCHAJOKKGQMTIE-UWVGGRQHSA-N 1 0 212.293 0.086 20 30 BCEDRO C#C[C@@](C)(CC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000854697747 588802924 /nfs/dbraw/zinc/80/29/24/588802924.db2.gz KKQUJMGMXAFRID-PWSUYJOCSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000854736307 588804628 /nfs/dbraw/zinc/80/46/28/588804628.db2.gz DYRVGDVJJKBJLL-LBPRGKRZSA-N 1 0 206.289 0.564 20 30 BCEDRO C[NH+](C)CC1CN(C(=O)C#CC2CC2)C1 ZINC000854721320 588804138 /nfs/dbraw/zinc/80/41/38/588804138.db2.gz DIZKCSWFDGCUOY-UHFFFAOYSA-N 1 0 206.289 0.420 20 30 BCEDRO C#C[C@@H](CO)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000854770101 588805945 /nfs/dbraw/zinc/80/59/45/588805945.db2.gz AJJMVXWAKZSHFZ-WDEREUQCSA-N 1 0 226.320 0.217 20 30 BCEDRO C[NH+](C)CCONC(=O)c1ccnc(C#N)c1 ZINC000854945661 588818044 /nfs/dbraw/zinc/81/80/44/588818044.db2.gz WMYGKCCDCHELDL-UHFFFAOYSA-N 1 0 234.259 0.176 20 30 BCEDRO C=C(CO)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000855161599 588824875 /nfs/dbraw/zinc/82/48/75/588824875.db2.gz ADZROBHRIFQTLH-JTQLQIEISA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CO)C1CCC1 ZINC000855264173 588826686 /nfs/dbraw/zinc/82/66/86/588826686.db2.gz MHDIWENMNGWIHH-LLVKDONJSA-N 1 0 226.320 0.381 20 30 BCEDRO CON=CC(=O)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000855286325 588827274 /nfs/dbraw/zinc/82/72/74/588827274.db2.gz OXJYHBWKKQYMHK-VIFPVBQESA-N 1 0 227.308 0.608 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@@H]2CC[N@H+]2C(C)(C)C)C1 ZINC000890526136 582466561 /nfs/dbraw/zinc/46/65/61/582466561.db2.gz ILLNSGMTSQOJPB-JTQLQIEISA-N 1 0 236.315 0.066 20 30 BCEDRO C#CCCOC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000859134778 582484671 /nfs/dbraw/zinc/48/46/71/582484671.db2.gz ACOLROUKDYLTHN-PHIMTYICSA-N 1 0 222.288 0.640 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[C@H](C)[NH+](C)C ZINC000855416871 588832037 /nfs/dbraw/zinc/83/20/37/588832037.db2.gz CAOBPZONJCOBRH-WDEREUQCSA-N 1 0 226.320 0.481 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC[C@@H](O)C1CC1 ZINC000890714955 582513308 /nfs/dbraw/zinc/51/33/08/582513308.db2.gz WCTDUDYVICSPSU-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCOCCC(=O)NCC[C@@H](C)[NH+](C)C ZINC000855415605 588832173 /nfs/dbraw/zinc/83/21/73/588832173.db2.gz KSWCTYLVEDOASJ-LLVKDONJSA-N 1 0 226.320 0.483 20 30 BCEDRO C=CC[C@H](C)NC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000843442240 582557584 /nfs/dbraw/zinc/55/75/84/582557584.db2.gz LSDIHOFTHNVEGT-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO CN(CC(C)(C)C[NH+](C)C)C(=O)CC#N ZINC000890882730 582586572 /nfs/dbraw/zinc/58/65/72/582586572.db2.gz VLGVOHPFPARQCJ-UHFFFAOYSA-N 1 0 211.309 0.946 20 30 BCEDRO C=CCCn1cc(C(=O)N2CC[C@@](C)([NH3+])C2)nn1 ZINC000868080435 582593858 /nfs/dbraw/zinc/59/38/58/582593858.db2.gz VHDCXAOTFUERLS-GFCCVEGCSA-N 1 0 249.318 0.418 20 30 BCEDRO C=CCCn1cc(C(=O)N2CC[C@](C)([NH3+])C2)nn1 ZINC000868080440 582593868 /nfs/dbraw/zinc/59/38/68/582593868.db2.gz VHDCXAOTFUERLS-LBPRGKRZSA-N 1 0 249.318 0.418 20 30 BCEDRO CCN(C(=O)C=NOC)[C@@H]1CC[N@H+](CC)C1 ZINC000855485476 588838008 /nfs/dbraw/zinc/83/80/08/588838008.db2.gz CRUILVYYUTUMTB-SNVBAGLBSA-N 1 0 227.308 0.561 20 30 BCEDRO N#CCCCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891511439 582694646 /nfs/dbraw/zinc/69/46/46/582694646.db2.gz BXOGBKDZXOFVBJ-UWVGGRQHSA-N 1 0 222.292 0.436 20 30 BCEDRO C=C(C)COCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891683070 582709852 /nfs/dbraw/zinc/70/98/52/582709852.db2.gz QEJPUWIFTPYWKO-WDEREUQCSA-N 1 0 241.335 0.710 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891811736 582725450 /nfs/dbraw/zinc/72/54/50/582725450.db2.gz IYMGULHEQXQOAY-UWVGGRQHSA-N 1 0 207.277 0.156 20 30 BCEDRO CC#CCCNC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000891814726 582726023 /nfs/dbraw/zinc/72/60/23/582726023.db2.gz UCKSKNNPPHOEDL-YPMHNXCESA-N 1 0 235.331 0.984 20 30 BCEDRO C#CCCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891848703 582729751 /nfs/dbraw/zinc/72/97/51/582729751.db2.gz PSHSKWFXFUBBDE-WCQYABFASA-N 1 0 235.331 0.984 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc(O)c(F)c2)N1 ZINC000779791640 582730596 /nfs/dbraw/zinc/73/05/96/582730596.db2.gz DNWXRWFMOYBZFS-SSDOTTSWSA-N 1 0 236.250 0.803 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1(CC#N)CC1 ZINC000891869641 582732292 /nfs/dbraw/zinc/73/22/92/582732292.db2.gz LEAAUJISOWPVRB-UWVGGRQHSA-N 1 0 236.319 0.811 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CCCC[N@H+]1CC ZINC000668574094 582771344 /nfs/dbraw/zinc/77/13/44/582771344.db2.gz BAQYCZMJISAAPE-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO COc1ccc(OC)c(NC(=[NH2+])NCCO)c1 ZINC000104152399 582791940 /nfs/dbraw/zinc/79/19/40/582791940.db2.gz IRYYKPIWAWHTQW-UHFFFAOYSA-N 1 0 239.275 0.423 20 30 BCEDRO CON=CC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000855899800 588853087 /nfs/dbraw/zinc/85/30/87/588853087.db2.gz ULLXFSQCVKOBEW-NSHDSACASA-N 1 0 241.335 0.855 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CCOC[C@@H]1OC ZINC000849035331 582836485 /nfs/dbraw/zinc/83/64/85/582836485.db2.gz CPLCNEDXDNZCGW-ZJUUUORDSA-N 1 0 227.308 0.338 20 30 BCEDRO CCNC(NC[C@@H]1CCCNC1=O)=[NH+]CC ZINC000849041901 582839207 /nfs/dbraw/zinc/83/92/07/582839207.db2.gz ZLCJEQPJEWODDV-VIFPVBQESA-N 1 0 226.324 0.088 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)[C@H](C)C#N ZINC000856074577 588859494 /nfs/dbraw/zinc/85/94/94/588859494.db2.gz ARPKGGCGZNWPOR-SNVBAGLBSA-N 1 0 209.293 0.865 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1([C@H](C)O)CC1 ZINC000856129503 588861906 /nfs/dbraw/zinc/86/19/06/588861906.db2.gz YXJQHUNSQQUTQL-VIFPVBQESA-N 1 0 212.293 0.134 20 30 BCEDRO C[C@@H]1CC[C@@H]1[NH2+]CCNC(=O)C1N=CC=CC1=O ZINC000783252534 582953903 /nfs/dbraw/zinc/95/39/03/582953903.db2.gz SAHLNGBYERXBHP-WWRYOJEZSA-N 1 0 249.314 0.901 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCc2nccnc2C1 ZINC000856242019 588865152 /nfs/dbraw/zinc/86/51/52/588865152.db2.gz NBMASODLQWOCOS-UHFFFAOYSA-N 1 0 246.314 0.479 20 30 BCEDRO C#CCOCC[N@H+](CC(N)=O)CC(C)C ZINC000851725447 582964481 /nfs/dbraw/zinc/96/44/81/582964481.db2.gz AAPGWEVXJUFDLF-UHFFFAOYSA-N 1 0 212.293 0.080 20 30 BCEDRO C#CCOCC[N@H+]1CCCC[C@H]1C(=O)NC ZINC000851744677 582966209 /nfs/dbraw/zinc/96/62/09/582966209.db2.gz LNYQVWOOSFGLAB-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCOCC[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000851815898 582968881 /nfs/dbraw/zinc/96/88/81/582968881.db2.gz AABZPBBQPJUCPF-NWDGAFQWSA-N 1 0 241.356 0.843 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)c1nccn1C ZINC000856280138 588866949 /nfs/dbraw/zinc/86/69/49/588866949.db2.gz JWFZKPNCVPKZKV-SNVBAGLBSA-N 1 0 236.319 0.715 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)NCCC(C)(C)[NH3+] ZINC000892849850 582996461 /nfs/dbraw/zinc/99/64/61/582996461.db2.gz FVYDEWRTBNQDHS-SNVBAGLBSA-N 1 0 239.319 0.157 20 30 BCEDRO C#CCCN(CCOC)C(=O)C(=C)C[NH+](C)C ZINC000856390617 588871031 /nfs/dbraw/zinc/87/10/31/588871031.db2.gz WZMFWETVTAOFMK-UHFFFAOYSA-N 1 0 238.331 0.603 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1nn(C)cc1C ZINC000856413024 588872298 /nfs/dbraw/zinc/87/22/98/588872298.db2.gz RMYBIXZIJYGVNB-UHFFFAOYSA-N 1 0 222.292 0.785 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)COCCOC ZINC000892993019 583026080 /nfs/dbraw/zinc/02/60/80/583026080.db2.gz NQLHIZHXUJGKMX-LLVKDONJSA-N 1 0 231.361 0.994 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)COC(C)=O ZINC000892994756 583027037 /nfs/dbraw/zinc/02/70/37/583027037.db2.gz YOMNXOUBIDWTGR-VIFPVBQESA-N 1 0 215.318 0.894 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](O)c1ccccn1 ZINC000853111534 583028465 /nfs/dbraw/zinc/02/84/65/583028465.db2.gz XLIJQQRDEQVDGY-AAEUAGOBSA-N 1 0 236.315 0.889 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000893283117 583084926 /nfs/dbraw/zinc/08/49/26/583084926.db2.gz JHMGFKQMMMLZSI-UMSGYPCISA-N 1 0 243.347 0.953 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)COC(C)=O ZINC000893285712 583086413 /nfs/dbraw/zinc/08/64/13/583086413.db2.gz ZFFHFVRCMFXISA-GXSJLCMTSA-N 1 0 215.293 0.712 20 30 BCEDRO C#C[C@H]([NH2+]CCN1CCOC1=O)[C@@H]1CCCO1 ZINC000775794837 583104114 /nfs/dbraw/zinc/10/41/14/583104114.db2.gz KIAQQJGCQDUWFS-QWRGUYRKSA-N 1 0 238.287 0.209 20 30 BCEDRO COCCOC[C@@H](C)[NH2+]CCCC#N ZINC000893514648 583155724 /nfs/dbraw/zinc/15/57/24/583155724.db2.gz LOAOIKSTZNWTIN-SNVBAGLBSA-N 1 0 200.282 0.931 20 30 BCEDRO COCCN(C)CC[NH+]=C(N(C)C)N(C)C ZINC000104183621 583159563 /nfs/dbraw/zinc/15/95/63/583159563.db2.gz NYWINOCQKKCXLI-UHFFFAOYSA-N 1 0 230.356 0.044 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2ccnc(C#N)n2)C1 ZINC000893940324 583255102 /nfs/dbraw/zinc/25/51/02/583255102.db2.gz MQAQGKPKULHQPN-UWVGGRQHSA-N 1 0 229.287 0.489 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(c3cnc(C#N)cn3)[C@H]2C1 ZINC000893941889 583255332 /nfs/dbraw/zinc/25/53/32/583255332.db2.gz XCFABAQQAYCLMQ-KOLCDFICSA-N 1 0 229.287 0.489 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000857107385 588888439 /nfs/dbraw/zinc/88/84/39/588888439.db2.gz UCPYIWWLCCRSES-ONGXEEELSA-N 1 0 224.308 0.669 20 30 BCEDRO C#CC[N@@H+](C)CCCNc1cc(NC)ncn1 ZINC000893988540 583270736 /nfs/dbraw/zinc/27/07/36/583270736.db2.gz DLJCOTCJYFEQIG-UHFFFAOYSA-N 1 0 233.319 0.885 20 30 BCEDRO C#CCSCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000841832558 583341549 /nfs/dbraw/zinc/34/15/49/583341549.db2.gz PMMNPOJIUNDDSM-JTQLQIEISA-N 1 0 241.360 0.356 20 30 BCEDRO C#CCSCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000841832559 583341919 /nfs/dbraw/zinc/34/19/19/583341919.db2.gz PMMNPOJIUNDDSM-SNVBAGLBSA-N 1 0 241.360 0.356 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857236651 588900555 /nfs/dbraw/zinc/90/05/55/588900555.db2.gz GPNYWXIRHPBUJO-LLVKDONJSA-N 1 0 224.304 0.527 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857242504 588900853 /nfs/dbraw/zinc/90/08/53/588900853.db2.gz FUZSUUJVDNYFMO-QWRGUYRKSA-N 1 0 224.304 0.261 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)CC1(O)CCCCC1 ZINC000878499999 583377309 /nfs/dbraw/zinc/37/73/09/583377309.db2.gz AEEAPFXLLWCMBL-GFCCVEGCSA-N 1 0 225.332 0.998 20 30 BCEDRO C#C[C@H](C)N(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878516170 583378524 /nfs/dbraw/zinc/37/85/24/583378524.db2.gz AAVWCOQLUVYHHG-NSHDSACASA-N 1 0 237.347 0.150 20 30 BCEDRO CC(=NN[C@H](C)CO)C1CC[NH+](C)CC1 ZINC000814864779 583379572 /nfs/dbraw/zinc/37/95/72/583379572.db2.gz IIACSTNBONAEQJ-SECBINFHSA-N 1 0 213.325 0.675 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@@H](O)CC1 ZINC000878658525 583389597 /nfs/dbraw/zinc/38/95/97/583389597.db2.gz YULGQMQVEHHDCM-GHMZBOCLSA-N 1 0 227.304 0.951 20 30 BCEDRO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000878760852 583401925 /nfs/dbraw/zinc/40/19/25/583401925.db2.gz DAZMKNGKOXSGIC-TUAOUCFPSA-N 1 0 224.304 0.762 20 30 BCEDRO CO[C@H]1C[C@@H](C[N@@H+]2CC[C@](O)(CC#N)C2)C1 ZINC000878760851 583401963 /nfs/dbraw/zinc/40/19/63/583401963.db2.gz DAZMKNGKOXSGIC-GRYCIOLGSA-N 1 0 224.304 0.762 20 30 BCEDRO Cc1ccc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)nc1 ZINC000841184069 583418329 /nfs/dbraw/zinc/41/83/29/583418329.db2.gz ZDLNTOFEQBBEGO-ZJUUUORDSA-N 1 0 245.286 0.623 20 30 BCEDRO C#C[C@@H](CC)[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000894387719 583444751 /nfs/dbraw/zinc/44/47/51/583444751.db2.gz UOEYKVUKUBRPKH-JTQLQIEISA-N 1 0 233.315 0.994 20 30 BCEDRO C#CCCCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000841858694 583449284 /nfs/dbraw/zinc/44/92/84/583449284.db2.gz CIWSEJIJDNOXPU-LLVKDONJSA-N 1 0 223.320 0.923 20 30 BCEDRO COC(=O)[C@H]1[C@@H](C[NH2+]CCCC#N)C1(F)F ZINC000894446045 583460850 /nfs/dbraw/zinc/46/08/50/583460850.db2.gz WYWXVVUFHZSUSI-HTQZYQBOSA-N 1 0 232.230 0.934 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894461123 583467284 /nfs/dbraw/zinc/46/72/84/583467284.db2.gz NHZNOJZMRCWGOP-VGMNWLOBSA-N 1 0 249.257 0.567 20 30 BCEDRO C[N@@H+]1C[C@@H]2CN(C(=O)NCCC#N)C[C@]2(C)C1 ZINC000894485868 583470950 /nfs/dbraw/zinc/47/09/50/583470950.db2.gz PPZSGEYZHDAQDU-PWSUYJOCSA-N 1 0 236.319 0.493 20 30 BCEDRO C[C@H]1CCC[N@@H+]1CCNC(=O)NCCC#N ZINC000894484672 583470988 /nfs/dbraw/zinc/47/09/88/583470988.db2.gz HTCFMEGXVNHPNY-JTQLQIEISA-N 1 0 224.308 0.684 20 30 BCEDRO C[NH+]1CCC2(CCN2C(=O)NCCC#N)CC1 ZINC000894486875 583471780 /nfs/dbraw/zinc/47/17/80/583471780.db2.gz XYAZVFBTFBHMQI-UHFFFAOYSA-N 1 0 236.319 0.780 20 30 BCEDRO C=CCOC[C@@H](NCc1c[nH]cn1)C(=O)OC ZINC000894642791 583499284 /nfs/dbraw/zinc/49/92/84/583499284.db2.gz NOYZXRUJIWJYRX-SNVBAGLBSA-N 1 0 239.275 0.244 20 30 BCEDRO C#CC[C@H](COC)Nc1nc(N)cc(C)[nH+]1 ZINC000894830747 583527727 /nfs/dbraw/zinc/52/77/27/583527727.db2.gz RZRNZWABSOKNGN-SECBINFHSA-N 1 0 220.276 0.817 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@@H]2COCO2)n1 ZINC000894880243 583543574 /nfs/dbraw/zinc/54/35/74/583543574.db2.gz BEZBGOLPXFPGSE-LLVKDONJSA-N 1 0 219.244 0.416 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@@H](O)CCC)CC1 ZINC000880483932 583543813 /nfs/dbraw/zinc/54/38/13/583543813.db2.gz NCZCNUHQWLDPNA-LBPRGKRZSA-N 1 0 225.332 0.998 20 30 BCEDRO CC[NH2+]Cc1cn(CCO[C@H](C)C#N)nn1 ZINC000881324536 583551519 /nfs/dbraw/zinc/55/15/19/583551519.db2.gz WUUWYAYSCMJLCS-SECBINFHSA-N 1 0 223.280 0.316 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21)C(C)C ZINC000894933296 583556238 /nfs/dbraw/zinc/55/62/38/583556238.db2.gz INJLKBGYIBLFMK-RWMBFGLXSA-N 1 0 249.358 0.990 20 30 BCEDRO C#C[C@H](CC)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894936882 583558292 /nfs/dbraw/zinc/55/82/92/583558292.db2.gz KDGKBADGJNGSFM-GRYCIOLGSA-N 1 0 235.331 0.601 20 30 BCEDRO CON(C)C(=O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000895046711 583572154 /nfs/dbraw/zinc/57/21/54/583572154.db2.gz RARWQHQYVVQARS-RKDXNWHRSA-N 1 0 211.265 0.288 20 30 BCEDRO CON(C)C(=O)C[NH2+]C1CCC(C#N)CC1 ZINC000895046690 583572169 /nfs/dbraw/zinc/57/21/69/583572169.db2.gz QIRXXAVTJOHILB-UHFFFAOYSA-N 1 0 225.292 0.678 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000895097657 583588189 /nfs/dbraw/zinc/58/81/89/583588189.db2.gz HDHFDGQNQUBVFE-XQQFMLRXSA-N 1 0 241.331 0.402 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)Cn1cncn1 ZINC000895102832 583588988 /nfs/dbraw/zinc/58/89/88/583588988.db2.gz GEKNAZZVZYAEOU-WDEREUQCSA-N 1 0 222.292 0.031 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H](C)Cn1cncn1 ZINC000895102829 583589088 /nfs/dbraw/zinc/58/90/88/583589088.db2.gz GEKNAZZVZYAEOU-GHMZBOCLSA-N 1 0 222.292 0.031 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](Cc2cc[nH]c(=O)c2)C1 ZINC000895106766 583589670 /nfs/dbraw/zinc/58/96/70/583589670.db2.gz FZTJDSLXTTYIKL-GFCCVEGCSA-N 1 0 233.271 0.638 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)COC(C)=O ZINC000895132827 583601519 /nfs/dbraw/zinc/60/15/19/583601519.db2.gz YRZVZWLKZSXPKC-ONGXEEELSA-N 1 0 213.277 0.302 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)COC(C)=O ZINC000895132825 583601640 /nfs/dbraw/zinc/60/16/40/583601640.db2.gz YRZVZWLKZSXPKC-KOLCDFICSA-N 1 0 213.277 0.302 20 30 BCEDRO CO[C@H](C)[C@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895157228 583607923 /nfs/dbraw/zinc/60/79/23/583607923.db2.gz NOUHTWPBSKEPTO-DJLDLDEBSA-N 1 0 216.281 0.380 20 30 BCEDRO CC[C@H](COC)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160214 583608816 /nfs/dbraw/zinc/60/88/16/583608816.db2.gz KWVNVALXWFFQEN-RKDXNWHRSA-N 1 0 216.281 0.381 20 30 BCEDRO O=C1[C@@H]([NH2+][C@@H]2CCCOCC2)CCCN1O ZINC000895159526 583608926 /nfs/dbraw/zinc/60/89/26/583608926.db2.gz HEIBGWHWJQUJFS-ZJUUUORDSA-N 1 0 228.292 0.525 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@H]1CCOC1 ZINC000895159793 583609960 /nfs/dbraw/zinc/60/99/60/583609960.db2.gz IEVZEUSMJXVPCA-LPEHRKFASA-N 1 0 228.292 0.381 20 30 BCEDRO CCOC[C@@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895163014 583611241 /nfs/dbraw/zinc/61/12/41/583611241.db2.gz PJGYXOOFXDXBIS-RKDXNWHRSA-N 1 0 216.281 0.381 20 30 BCEDRO N#Cc1cccc(NC(=O)N(CC[NH3+])CCO)c1 ZINC000857766578 588910777 /nfs/dbraw/zinc/91/07/77/588910777.db2.gz PCWFMAGMTKWMQE-UHFFFAOYSA-N 1 0 248.286 0.343 20 30 BCEDRO CCc1nnc(N2CC=C(N)[NH2+]2)c(C#N)c1CC ZINC000895247935 583632500 /nfs/dbraw/zinc/63/25/00/583632500.db2.gz KLPISYKLDRDVKU-UHFFFAOYSA-N 1 0 244.302 0.598 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cnc[nH]1 ZINC000895416361 583667492 /nfs/dbraw/zinc/66/74/92/583667492.db2.gz VFBUQMUZWJHERC-JTQLQIEISA-N 1 0 207.277 0.928 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)COCCOC ZINC000895461610 583678120 /nfs/dbraw/zinc/67/81/20/583678120.db2.gz VPOLQVHRHHSEFS-VHSXEESVSA-N 1 0 203.282 0.174 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC2(C[C@@H]1F)OCCO2 ZINC000895461091 583678125 /nfs/dbraw/zinc/67/81/25/583678125.db2.gz DMWMHIZYBVJSHP-OUAUKWLOSA-N 1 0 245.294 0.757 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C1CC(n2cccn2)C1 ZINC000895490856 583680847 /nfs/dbraw/zinc/68/08/47/583680847.db2.gz UQSZNCFRKLPPTM-VOMCLLRMSA-N 1 0 219.288 0.560 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000895490648 583680902 /nfs/dbraw/zinc/68/09/02/583680902.db2.gz RLPMFGBMFKZLQH-IJLUTSLNSA-N 1 0 238.331 0.408 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H](C)C[C@@H]1CCCC(=O)N1 ZINC000895490653 583680904 /nfs/dbraw/zinc/68/09/04/583680904.db2.gz RLPMFGBMFKZLQH-SDDRHHMPSA-N 1 0 238.331 0.408 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(Cl)nn1 ZINC000895490868 583680912 /nfs/dbraw/zinc/68/09/12/583680912.db2.gz UYAISCROTGMGDD-VIFPVBQESA-N 1 0 225.679 0.604 20 30 BCEDRO C#CCSCC(=O)NC1CC[NH+](C)CC1 ZINC000895522769 583685964 /nfs/dbraw/zinc/68/59/64/583685964.db2.gz UNHXMAQNYBWQON-UHFFFAOYSA-N 1 0 226.345 0.563 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NCc1cn(C)cn1 ZINC000895578487 583695050 /nfs/dbraw/zinc/69/50/50/583695050.db2.gz LGUOSKIROHPJMK-MRVPVSSYSA-N 1 0 224.264 0.725 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)COC(C)=O ZINC000895669137 583706345 /nfs/dbraw/zinc/70/63/45/583706345.db2.gz UUHBEQMZSNXURJ-JQWIXIFHSA-N 1 0 227.304 0.956 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cn(CC)nn1 ZINC000895668705 583705675 /nfs/dbraw/zinc/70/56/75/583705675.db2.gz NIMBGRIKKXDXKH-NSHDSACASA-N 1 0 236.319 0.816 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H](C)COC(C)=O ZINC000895672694 583706789 /nfs/dbraw/zinc/70/67/89/583706789.db2.gz URMULEUTUDUIDN-MWLCHTKSSA-N 1 0 213.277 0.566 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)COC(C)=O ZINC000895672695 583706823 /nfs/dbraw/zinc/70/68/23/583706823.db2.gz URMULEUTUDUIDN-ONGXEEELSA-N 1 0 213.277 0.566 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000883124228 583710914 /nfs/dbraw/zinc/71/09/14/583710914.db2.gz AZAFLBJDNIVUJW-ZETCQYMHSA-N 1 0 247.220 0.902 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000895712815 583710993 /nfs/dbraw/zinc/71/09/93/583710993.db2.gz DGURZYKXWVYDDF-GHMZBOCLSA-N 1 0 226.320 0.572 20 30 BCEDRO C[C@@H]1[C@H](Nc2c(C#N)cnn2C)CC[N@@H+]1C ZINC000895736507 583717802 /nfs/dbraw/zinc/71/78/02/583717802.db2.gz JWKFQFNTCQTUAE-PSASIEDQSA-N 1 0 219.292 0.796 20 30 BCEDRO C#CC[NH+]1CCC(Nc2ccncc2C#N)CC1 ZINC000895808873 583729370 /nfs/dbraw/zinc/72/93/70/583729370.db2.gz VGPSSNVRQOBBBT-UHFFFAOYSA-N 1 0 240.310 0.885 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cn(CC)nc1C ZINC000895962709 583751374 /nfs/dbraw/zinc/75/13/74/583751374.db2.gz BELXGNBUXHVNRU-GFCCVEGCSA-N 1 0 221.304 0.685 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@H](C)COCCOC ZINC000895964936 583754115 /nfs/dbraw/zinc/75/41/15/583754115.db2.gz QHVWFODDASWFHA-MNOVXSKESA-N 1 0 215.293 0.012 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)COCCOC ZINC000896035043 583764693 /nfs/dbraw/zinc/76/46/93/583764693.db2.gz NIEXVRRJGMSCBQ-NEPJUHHUSA-N 1 0 231.336 0.955 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(F)cc1O ZINC000727779814 583769954 /nfs/dbraw/zinc/76/99/54/583769954.db2.gz WSXPUYXYJKJAJA-UHFFFAOYSA-N 1 0 210.212 0.738 20 30 BCEDRO CCO[C@H](CNc1cnc(C#N)cn1)C[NH+](C)C ZINC000896118699 583772020 /nfs/dbraw/zinc/77/20/20/583772020.db2.gz UXIRYGIPSATTIA-LLVKDONJSA-N 1 0 249.318 0.727 20 30 BCEDRO CCO[C@H](CNc1ccnc(C#N)c1)C[NH+](C)C ZINC000896115480 583772333 /nfs/dbraw/zinc/77/23/33/583772333.db2.gz JTOYPHORJVHPRV-CYBMUJFWSA-N 1 0 248.330 0.754 20 30 BCEDRO C=CCCC(=O)N[C@@H](C)[C@H]1C[N@H+](C)CCN1C ZINC000896564060 583812717 /nfs/dbraw/zinc/81/27/17/583812717.db2.gz NPKOZVABKWLZML-NWDGAFQWSA-N 1 0 239.363 0.703 20 30 BCEDRO C#CCSCC(=O)N[C@H](C)CC[NH+](C)C ZINC000896708769 583825430 /nfs/dbraw/zinc/82/54/30/583825430.db2.gz WVBUPFHWFUAYFS-SNVBAGLBSA-N 1 0 228.361 0.809 20 30 BCEDRO C#CCCCNC(=O)NCCOCC[NH+](C)C ZINC000788017413 583845966 /nfs/dbraw/zinc/84/59/66/583845966.db2.gz KAGUROJRLNQXGH-UHFFFAOYSA-N 1 0 241.335 0.277 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCO[C@@H]2CCOC2)n1 ZINC000897201516 583893252 /nfs/dbraw/zinc/89/32/52/583893252.db2.gz KDGKRNPMSMOUKY-CYBMUJFWSA-N 1 0 247.298 0.848 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841913871 583906091 /nfs/dbraw/zinc/90/60/91/583906091.db2.gz WDSMKDNPHDLLPJ-ZJUUUORDSA-N 1 0 225.292 0.640 20 30 BCEDRO C[C@@H]([NH3+])[C@H]1CN(C(=O)c2coc(C#N)c2)CCO1 ZINC000870938950 583932140 /nfs/dbraw/zinc/93/21/40/583932140.db2.gz WYYOVJUELDZSHN-LDYMZIIASA-N 1 0 249.270 0.339 20 30 BCEDRO C=CCCOCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872205183 583948661 /nfs/dbraw/zinc/94/86/61/583948661.db2.gz VDHKGXRJPBEFLV-NSHDSACASA-N 1 0 231.336 0.691 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1ccn(C)n1 ZINC000858333472 588946310 /nfs/dbraw/zinc/94/63/10/588946310.db2.gz HKOZXGQHQYBIFV-LLVKDONJSA-N 1 0 221.304 0.938 20 30 BCEDRO C=CCN(C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897444446 583985036 /nfs/dbraw/zinc/98/50/36/583985036.db2.gz GKVOWEGYBFDFNW-NSHDSACASA-N 1 0 224.304 0.352 20 30 BCEDRO CC#CCN(C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000897458798 583988144 /nfs/dbraw/zinc/98/81/44/583988144.db2.gz FONDTHRRSGJUST-GFCCVEGCSA-N 1 0 237.347 0.993 20 30 BCEDRO N#CCNC(=O)CCCC[NH+]1CCCC1 ZINC000729353389 583993888 /nfs/dbraw/zinc/99/38/88/583993888.db2.gz CORYVXUGEIZIIO-UHFFFAOYSA-N 1 0 209.293 0.892 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]C[C@H](C)N2)sn1 ZINC000785462145 584008365 /nfs/dbraw/zinc/00/83/65/584008365.db2.gz RQZGFCCWWWKPDT-ZETCQYMHSA-N 1 0 223.305 0.723 20 30 BCEDRO C#CCN(C)C(=O)c1cc([C@@H]2CCCN2C)[nH]n1 ZINC000897535376 584009587 /nfs/dbraw/zinc/00/95/87/584009587.db2.gz IJSUMYOPICZKKQ-LBPRGKRZSA-N 1 0 246.314 0.882 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC[C@H](C[NH3+])CC1 ZINC000865343448 584016218 /nfs/dbraw/zinc/01/62/18/584016218.db2.gz NMLXDFJXILZONC-MGCOHNPYSA-N 1 0 209.293 0.436 20 30 BCEDRO C[NH+]1CCC(NC(=O)CSCCC#N)CC1 ZINC000865370272 584016970 /nfs/dbraw/zinc/01/69/70/584016970.db2.gz KJYVOWUVTFMOLC-UHFFFAOYSA-N 1 0 241.360 0.844 20 30 BCEDRO C#CCSCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000897826323 584052262 /nfs/dbraw/zinc/05/22/62/584052262.db2.gz WWABMHKELHOWHA-MNOVXSKESA-N 1 0 238.356 0.515 20 30 BCEDRO Cn1nnnc1CCC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000898039863 584080015 /nfs/dbraw/zinc/08/00/15/584080015.db2.gz IMCKWXFOGBOEFS-MNOVXSKESA-N 1 0 248.334 0.815 20 30 BCEDRO Cn1nnnc1CCC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000898039862 584080058 /nfs/dbraw/zinc/08/00/58/584080058.db2.gz IMCKWXFOGBOEFS-GHMZBOCLSA-N 1 0 248.334 0.815 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC1CC[NH+](C)CC1 ZINC000730104281 584123943 /nfs/dbraw/zinc/12/39/43/584123943.db2.gz QCFDMFZREWVLJW-ZDUSSCGKSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCOCCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898608563 584144995 /nfs/dbraw/zinc/14/49/95/584144995.db2.gz YDMAWQGVALCPQQ-UHFFFAOYSA-N 1 0 236.315 0.333 20 30 BCEDRO C#CC1(O)CCN(C(=O)C[NH+](CC)CC)CC1 ZINC000899114726 584176241 /nfs/dbraw/zinc/17/62/41/584176241.db2.gz ZIKMQUPPZZNMGH-UHFFFAOYSA-N 1 0 238.331 0.315 20 30 BCEDRO C#CC(=O)N1CC[N@@H+](C2CC2)C[C@@H](C)C1 ZINC000899144653 584176759 /nfs/dbraw/zinc/17/67/59/584176759.db2.gz IZQGAVDGFHXDEB-SNVBAGLBSA-N 1 0 206.289 0.562 20 30 BCEDRO C#CC(=O)Nc1nc(CN(C)C)cs1 ZINC000899158058 584178498 /nfs/dbraw/zinc/17/84/98/584178498.db2.gz AGAQJGHNAFXWKN-UHFFFAOYSA-N 1 0 209.274 0.776 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000899234805 584186620 /nfs/dbraw/zinc/18/66/20/584186620.db2.gz RLIIPZTTXTUACL-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO CNC(NC[C@@H](COC)C(C)C)=[NH+]C ZINC000899262945 584190663 /nfs/dbraw/zinc/19/06/63/584190663.db2.gz WJCGUXIZBOLHIF-VIFPVBQESA-N 1 0 201.314 0.700 20 30 BCEDRO CNC(NCc1ccc(CCO)cc1)=[NH+]C ZINC000899263791 584190853 /nfs/dbraw/zinc/19/08/53/584190853.db2.gz OQQBATIQNQTGBB-UHFFFAOYSA-N 1 0 221.304 0.516 20 30 BCEDRO C=CCC1(C(=O)NCC[N@H+](C)CCO)CCC1 ZINC000899737571 584232385 /nfs/dbraw/zinc/23/23/85/584232385.db2.gz LTCKXFIFISCRDD-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO C=CCOCCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000899891481 584248756 /nfs/dbraw/zinc/24/87/56/584248756.db2.gz KESCPMRHNDAQRW-LLVKDONJSA-N 1 0 229.320 0.445 20 30 BCEDRO C=CCNC(=O)c1ccnn1CC[NH+](C)C ZINC000899921319 584256440 /nfs/dbraw/zinc/25/64/40/584256440.db2.gz BQQVXXDSWFDAGV-UHFFFAOYSA-N 1 0 222.292 0.361 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)COC ZINC000899935252 584257868 /nfs/dbraw/zinc/25/78/68/584257868.db2.gz HSEYVHIJPYGGJS-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO CCN(CCC#N)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900325369 584294614 /nfs/dbraw/zinc/29/46/14/584294614.db2.gz BYFPYYJXMIVXQE-JQWIXIFHSA-N 1 0 239.319 0.204 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)Cc1cnc[nH]1 ZINC000900329759 584295263 /nfs/dbraw/zinc/29/52/63/584295263.db2.gz VUKBFWHIBXMFBK-QMMMGPOBSA-N 1 0 206.249 0.570 20 30 BCEDRO CCN(CC#N)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900361347 584296015 /nfs/dbraw/zinc/29/60/15/584296015.db2.gz JBUWBMRYWFSXFS-LLVKDONJSA-N 1 0 237.303 0.079 20 30 BCEDRO CCN(CC#N)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900361276 584296071 /nfs/dbraw/zinc/29/60/71/584296071.db2.gz FXZSAMVWXKOPFN-LBPRGKRZSA-N 1 0 239.319 0.205 20 30 BCEDRO CN(CC#N)C(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900452538 584312965 /nfs/dbraw/zinc/31/29/65/584312965.db2.gz OPAKKHBNLSDAQA-MNOVXSKESA-N 1 0 221.304 0.985 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CC)CC(=O)OC ZINC000900563603 584325888 /nfs/dbraw/zinc/32/58/88/584325888.db2.gz PIBOVMHGPUFQOH-UHFFFAOYSA-N 1 0 242.319 0.516 20 30 BCEDRO C[N@@H+]1C[C@@H](O)C[C@@]1(C)C(=O)NCCCCC#N ZINC000900572374 584326655 /nfs/dbraw/zinc/32/66/55/584326655.db2.gz GGRMLCFKTCFWRC-JQWIXIFHSA-N 1 0 239.319 0.252 20 30 BCEDRO C/C=C\[C@H](O)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000900607549 584330751 /nfs/dbraw/zinc/33/07/51/584330751.db2.gz DPOYGQAOZROTPL-XOULXFPDSA-N 1 0 237.303 0.028 20 30 BCEDRO C=C1CCN(C(=O)[C@]2(C)C[C@H](O)C[N@H+]2C)CC1 ZINC000900585562 584331971 /nfs/dbraw/zinc/33/19/71/584331971.db2.gz UIPGJJMHIRLZFA-AAEUAGOBSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1cccn(C)c1=O ZINC000900672200 584339883 /nfs/dbraw/zinc/33/98/83/584339883.db2.gz MSHVUBIYPFCJMI-UHFFFAOYSA-N 1 0 249.314 0.832 20 30 BCEDRO C#CC(C)(C)NC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900704330 584343369 /nfs/dbraw/zinc/34/33/69/584343369.db2.gz VUXFVXQFDVGIMH-CYBMUJFWSA-N 1 0 238.331 0.361 20 30 BCEDRO C[C@@H](NC(=O)C#CC1CC1)[C@H]1C[N@H+](C)CCN1C ZINC000900809873 584355794 /nfs/dbraw/zinc/35/57/94/584355794.db2.gz FBFFLVPCGGOTAT-DGCLKSJQSA-N 1 0 249.358 0.150 20 30 BCEDRO C#CCCCCNC(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901034328 584376340 /nfs/dbraw/zinc/37/63/40/584376340.db2.gz JNGHGBIWRITOPX-YPMHNXCESA-N 1 0 238.331 0.361 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@](C)(C#N)COC ZINC000901052895 584379315 /nfs/dbraw/zinc/37/93/15/584379315.db2.gz TZPRCQXVJZBRNP-LBPRGKRZSA-N 1 0 239.319 0.539 20 30 BCEDRO CC(=NNCC(F)F)c1c[nH]c(N)[nH+]1 ZINC000901195813 584397116 /nfs/dbraw/zinc/39/71/16/584397116.db2.gz KELAYFHXGAWTCB-UHFFFAOYSA-N 1 0 203.196 0.571 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCOC[C@H](C)C1 ZINC000901201981 584398643 /nfs/dbraw/zinc/39/86/43/584398643.db2.gz YZQSGFYYRIZXEF-LLVKDONJSA-N 1 0 240.347 0.989 20 30 BCEDRO C#Cc1cccnc1NCC[N@H+]1CC[C@H](O)C1 ZINC000858869185 588980395 /nfs/dbraw/zinc/98/03/95/588980395.db2.gz VTSHEPVHKJEYRN-LBPRGKRZSA-N 1 0 231.299 0.541 20 30 BCEDRO Cc1cc(F)ncc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000901216012 584401308 /nfs/dbraw/zinc/40/13/08/584401308.db2.gz NCADMFQIEYQSFM-QMMMGPOBSA-N 1 0 235.266 0.800 20 30 BCEDRO CCOc1ccc(C=NNC2=[NH+]C[C@H](C)N2)o1 ZINC000901215626 584401619 /nfs/dbraw/zinc/40/16/19/584401619.db2.gz LAFHHDMTQVDXRE-QMMMGPOBSA-N 1 0 236.275 0.950 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccnn1C ZINC000901219517 584402647 /nfs/dbraw/zinc/40/26/47/584402647.db2.gz CFHLWFDOSQWPAW-MRVPVSSYSA-N 1 0 207.281 0.770 20 30 BCEDRO COCCCON=C(C)c1c[nH]c(N)[nH+]1 ZINC000901237291 584405798 /nfs/dbraw/zinc/40/57/98/584405798.db2.gz NYJWUUHSTRMQRP-UHFFFAOYSA-N 1 0 212.253 0.769 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](O)[C@@H](CC)C1 ZINC000901242328 584406816 /nfs/dbraw/zinc/40/68/16/584406816.db2.gz QDSRSFOQZVRRQY-NWDGAFQWSA-N 1 0 240.347 0.724 20 30 BCEDRO CCOCCON=C(C)c1c[nH]c(N)[nH+]1 ZINC000901224630 584411986 /nfs/dbraw/zinc/41/19/86/584411986.db2.gz UHDBCXDTKVGZCT-UHFFFAOYSA-N 1 0 212.253 0.769 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@](C)(O)C1 ZINC000901274886 584412771 /nfs/dbraw/zinc/41/27/71/584412771.db2.gz BSUVEHUVWYZHQQ-CYBMUJFWSA-N 1 0 240.347 0.868 20 30 BCEDRO CC(=NOC[C@H]1CCOC1)c1c[nH]c(N)[nH+]1 ZINC000901228311 584412785 /nfs/dbraw/zinc/41/27/85/584412785.db2.gz WAGRTFKVEWJAIN-QMMMGPOBSA-N 1 0 224.264 0.769 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(C)[C@H](C)O ZINC000901276752 584413532 /nfs/dbraw/zinc/41/35/32/584413532.db2.gz AFTXTRXUQCJJOJ-JTQLQIEISA-N 1 0 228.336 0.770 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](O)[C@@H](C)C1 ZINC000901284690 584421480 /nfs/dbraw/zinc/42/14/80/584421480.db2.gz HSLBTOSKHRJBAV-QWRGUYRKSA-N 1 0 226.320 0.334 20 30 BCEDRO Cc1ncc(C=NN[C@@H]2CCCC[C@H]2O)n1C ZINC000901332976 584425924 /nfs/dbraw/zinc/42/59/24/584425924.db2.gz UVTKICBNUJIMDS-VXGBXAGGSA-N 1 0 236.319 0.956 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCOC(N)=O ZINC000901317416 584429525 /nfs/dbraw/zinc/42/95/25/584429525.db2.gz GRRYCNMSKBHBQD-UHFFFAOYSA-N 1 0 229.280 0.120 20 30 BCEDRO C[C@@H](NCc1nc(C#N)cs1)C1C[NH2+]C1 ZINC000902445490 584599146 /nfs/dbraw/zinc/59/91/46/584599146.db2.gz MFCRPEZULQVHIA-SSDOTTSWSA-N 1 0 222.317 0.712 20 30 BCEDRO N#Cc1cc(C[NH2+]C[C@@H](O)CO)cs1 ZINC000902726762 584661597 /nfs/dbraw/zinc/66/15/97/584661597.db2.gz BEAOWXKPKHBGRY-MRVPVSSYSA-N 1 0 212.274 0.063 20 30 BCEDRO C[C@H]([NH2+]C[C@@]1(O)CCOC1)c1cc(C#N)ccn1 ZINC000902887272 584689237 /nfs/dbraw/zinc/68/92/37/584689237.db2.gz GONHVZWGHPGJBM-GWCFXTLKSA-N 1 0 247.298 0.755 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000902934527 584699773 /nfs/dbraw/zinc/69/97/73/584699773.db2.gz QBISUSNIAQSUBU-JTQLQIEISA-N 1 0 218.260 0.320 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)OC1COC1 ZINC000902938091 584701080 /nfs/dbraw/zinc/70/10/80/584701080.db2.gz FJQHRVKBGJGRAU-UHFFFAOYSA-N 1 0 226.276 0.067 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)N2CCCC2)CC1 ZINC000902940693 584701476 /nfs/dbraw/zinc/70/14/76/584701476.db2.gz WWGOECQKTLQSCM-UHFFFAOYSA-N 1 0 235.331 0.889 20 30 BCEDRO COC[C@@H](O)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902983465 584708755 /nfs/dbraw/zinc/70/87/55/584708755.db2.gz ZSGVRIWRQIZUCV-ONGXEEELSA-N 1 0 235.287 0.611 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](F)C1 ZINC000902992087 584709748 /nfs/dbraw/zinc/70/97/48/584709748.db2.gz GUOQNCJAGPBHAZ-SNVBAGLBSA-N 1 0 212.268 0.560 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903020918 584720794 /nfs/dbraw/zinc/72/07/94/584720794.db2.gz IWOIFEDXBKGMRA-NWDGAFQWSA-N 1 0 248.330 0.900 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000903056955 584722482 /nfs/dbraw/zinc/72/24/82/584722482.db2.gz WCFYCNWTCQMLMH-JIMTYQMOSA-N 1 0 223.316 0.936 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]C2CC(CC(N)=O)C2)C1 ZINC000903261589 584740215 /nfs/dbraw/zinc/74/02/15/584740215.db2.gz YHRDDIOVHLYZLV-XEAZBWPWSA-N 1 0 221.304 0.922 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CC(CC(N)=O)C2)C1 ZINC000903261587 584740343 /nfs/dbraw/zinc/74/03/43/584740343.db2.gz YHRDDIOVHLYZLV-QPBDYMMBSA-N 1 0 221.304 0.922 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000903795659 584800541 /nfs/dbraw/zinc/80/05/41/584800541.db2.gz OGCQCMNJBJZIHY-YPMHNXCESA-N 1 0 237.347 0.492 20 30 BCEDRO C[C@@]1(C#N)CN(C[C@H]2CCCC[NH2+]C2)CCO1 ZINC000903825092 584804406 /nfs/dbraw/zinc/80/44/06/584804406.db2.gz YEJBGPFTNIPKSR-QWHCGFSZSA-N 1 0 237.347 0.991 20 30 BCEDRO C[C@]1(C#N)CN(CCC2CC[NH2+]CC2)CCO1 ZINC000903824209 584804693 /nfs/dbraw/zinc/80/46/93/584804693.db2.gz NEMCZQKJEIBNRX-ZDUSSCGKSA-N 1 0 237.347 0.991 20 30 BCEDRO C=C(Cl)CN1CC[NH2+]C[C@@H]1COC ZINC000903881870 584818086 /nfs/dbraw/zinc/81/80/86/584818086.db2.gz VAANQPBSHJDJKE-SECBINFHSA-N 1 0 204.701 0.659 20 30 BCEDRO CN(C)c1noc(C2CC3(C2)C[NH2+]C[C@@H]3C#N)n1 ZINC000904105379 584841180 /nfs/dbraw/zinc/84/11/80/584841180.db2.gz FUFNOCCIEXHDFT-XEVUQIKYSA-N 1 0 247.302 0.742 20 30 BCEDRO N#Cc1cccc(CN2CCC[C@]([NH3+])(CO)C2)c1 ZINC000904407036 584878729 /nfs/dbraw/zinc/87/87/29/584878729.db2.gz LWHGOEFAJMUQLS-CQSZACIVSA-N 1 0 245.326 0.844 20 30 BCEDRO NC(=O)CN[NH+]=C1CC[C@@H]2CNc3cccc1c32 ZINC000814904100 584895049 /nfs/dbraw/zinc/89/50/49/584895049.db2.gz RAAYCSATLMOQNU-MRVPVSSYSA-N 1 0 244.298 0.769 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000730281498 584898854 /nfs/dbraw/zinc/89/88/54/584898854.db2.gz YUDOZPUANODKOV-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCCOC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000859185614 589016006 /nfs/dbraw/zinc/01/60/06/589016006.db2.gz PQDMQPPDLYAHQL-JTQLQIEISA-N 1 0 210.277 0.688 20 30 BCEDRO CN1CCc2cc(C=[NH+]NCC(N)=O)ccc21 ZINC000758897031 584906269 /nfs/dbraw/zinc/90/62/69/584906269.db2.gz YAPHQVAOZVVSCH-UHFFFAOYSA-N 1 0 232.287 0.088 20 30 BCEDRO CCC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCC1 ZINC000834479419 584913635 /nfs/dbraw/zinc/91/36/35/584913635.db2.gz DMDFAVXOXYKVBX-ZJUUUORDSA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C=C1CCCC1 ZINC000834500175 584913693 /nfs/dbraw/zinc/91/36/93/584913693.db2.gz QOUFJVCHDPXBJK-QWRGUYRKSA-N 1 0 219.288 0.715 20 30 BCEDRO CCC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCC1 ZINC000834479416 584913717 /nfs/dbraw/zinc/91/37/17/584913717.db2.gz DMDFAVXOXYKVBX-VHSXEESVSA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C=C1CCCC1 ZINC000834500172 584913749 /nfs/dbraw/zinc/91/37/49/584913749.db2.gz QOUFJVCHDPXBJK-MNOVXSKESA-N 1 0 219.288 0.715 20 30 BCEDRO NC(=[NH2+])NN=C1CCOc2ccc(F)cc21 ZINC000731559172 584927150 /nfs/dbraw/zinc/92/71/50/584927150.db2.gz CKJSEAIGQQYPQA-UHFFFAOYSA-N 1 0 222.223 0.795 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1=NOC[C@H]1CCOC1 ZINC000788037776 584928226 /nfs/dbraw/zinc/92/82/26/584928226.db2.gz XQRXRUGMBMJYDL-ZJUUUORDSA-N 1 0 212.293 0.977 20 30 BCEDRO C=CC[N@@H+](CCCS(=O)(=O)NC)C(C)C ZINC000732198164 584934612 /nfs/dbraw/zinc/93/46/12/584934612.db2.gz WCWNBOBOEXUSKI-UHFFFAOYSA-N 1 0 234.365 0.822 20 30 BCEDRO C[C@@H]1[NH2+]CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000884272177 584948615 /nfs/dbraw/zinc/94/86/15/584948615.db2.gz QZSAHUIRCKEUEJ-IUCAKERBSA-N 1 0 232.287 0.709 20 30 BCEDRO C#CCCNC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000733646395 584951525 /nfs/dbraw/zinc/95/15/25/584951525.db2.gz GYRBNGSLABSXLE-NSHDSACASA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCc1ncc[nH]1 ZINC000733955598 584955476 /nfs/dbraw/zinc/95/54/76/584955476.db2.gz KRJBALIIJFXPME-JTQLQIEISA-N 1 0 232.287 0.124 20 30 BCEDRO CN1CCc2cc(C=[NH+]NCCO)ccc21 ZINC000814942511 584970354 /nfs/dbraw/zinc/97/03/54/584970354.db2.gz GFKZRDDUDDEIMV-UHFFFAOYSA-N 1 0 219.288 0.595 20 30 BCEDRO C[C@H](O)CNN=C1CC[NH+](CC(C)(C)O)CC1 ZINC000814964800 584971621 /nfs/dbraw/zinc/97/16/21/584971621.db2.gz DSNBTQCGWHTEFJ-JTQLQIEISA-N 1 0 243.351 0.180 20 30 BCEDRO C[C@H]1CN(C2CC2)CC1=NNC(=S)N(C)C ZINC000755893275 584997644 /nfs/dbraw/zinc/99/76/44/584997644.db2.gz JZZNYJFKCQGYDO-QMMMGPOBSA-N 1 0 240.376 0.893 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2nccs2)N1 ZINC000814898178 585023345 /nfs/dbraw/zinc/02/33/45/585023345.db2.gz RHFPBBVRZUBMKR-LURJTMIESA-N 1 0 209.278 0.414 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000773595515 585023526 /nfs/dbraw/zinc/02/35/26/585023526.db2.gz BXXITQQEJZQFSU-TUAOUCFPSA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCOCCC(=O)O[C@H]1CCN(CCF)C1 ZINC000788083640 585030742 /nfs/dbraw/zinc/03/07/42/585030742.db2.gz LKGKOPJCRJRXSQ-NSHDSACASA-N 1 0 243.278 0.613 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H](CC)COC ZINC000737979804 585039583 /nfs/dbraw/zinc/03/95/83/585039583.db2.gz NDGSAFMXRVAQCK-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C=CCONC(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000838706789 585065557 /nfs/dbraw/zinc/06/55/57/585065557.db2.gz CEOQEVLZZSEBEV-JTQLQIEISA-N 1 0 227.308 0.745 20 30 BCEDRO C=CCONC(=O)N(C)CCN1CCOCC1 ZINC000838707357 585065569 /nfs/dbraw/zinc/06/55/69/585065569.db2.gz IWXGQWLEVHGNDU-UHFFFAOYSA-N 1 0 243.307 0.078 20 30 BCEDRO C=CCONC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000838706790 585065607 /nfs/dbraw/zinc/06/56/07/585065607.db2.gz CEOQEVLZZSEBEV-SNVBAGLBSA-N 1 0 227.308 0.745 20 30 BCEDRO C=CCONC(=O)NCC1CC[NH+](C)CC1 ZINC000838707790 585065763 /nfs/dbraw/zinc/06/57/63/585065763.db2.gz QANIZBUEQNUYFU-UHFFFAOYSA-N 1 0 227.308 0.745 20 30 BCEDRO C=CCONC(=O)N1CC[NH+]2CCC1CC2 ZINC000838710022 585066497 /nfs/dbraw/zinc/06/64/97/585066497.db2.gz CCKYYTNGYLAQOH-UHFFFAOYSA-N 1 0 225.292 0.594 20 30 BCEDRO C=CCONC(=O)NCC[N@@H+]1CCCOCC1 ZINC000838710202 585066600 /nfs/dbraw/zinc/06/66/00/585066600.db2.gz UMPHSLBHNWPCIR-UHFFFAOYSA-N 1 0 243.307 0.126 20 30 BCEDRO C=CCONC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000838710931 585066668 /nfs/dbraw/zinc/06/66/68/585066668.db2.gz DJDCWABJOULCDZ-KOLCDFICSA-N 1 0 239.319 0.886 20 30 BCEDRO C#CC[N@H+](CC)CCC(=O)N1CCCC1 ZINC000838862477 585076033 /nfs/dbraw/zinc/07/60/33/585076033.db2.gz HUBXUNJMEFHBCP-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO COC(=O)CC1([NH2+]CCO[C@@H](C)C#N)CCC1 ZINC000838916742 585078292 /nfs/dbraw/zinc/07/82/92/585078292.db2.gz AFFGYMVREGWLPG-JTQLQIEISA-N 1 0 240.303 0.990 20 30 BCEDRO C#C[C@H]([NH2+]CCc1cn[nH]c1)[C@H]1CCCO1 ZINC000838935927 585081779 /nfs/dbraw/zinc/08/17/79/585081779.db2.gz IAUPJJVAQDLOPA-NWDGAFQWSA-N 1 0 219.288 0.723 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)C1CC1)[C@H]1CCCO1 ZINC000838937169 585082073 /nfs/dbraw/zinc/08/20/73/585082073.db2.gz RCFVOPGDUGSSEH-SDDRHHMPSA-N 1 0 209.289 0.528 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@@H]2COC[C@@H]21 ZINC000839193591 585097984 /nfs/dbraw/zinc/09/79/84/585097984.db2.gz XFDSEVFOTIXPJI-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C[C@H]1C[C@H](C)[N@H+](CC(=O)NCCC#N)C1 ZINC000740883342 585107809 /nfs/dbraw/zinc/10/78/09/585107809.db2.gz NQKFJTJYKIOFKR-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@@H]2CCOC2)C1 ZINC000886211446 585112976 /nfs/dbraw/zinc/11/29/76/585112976.db2.gz PIWXPUQACCGCFP-VXGBXAGGSA-N 1 0 208.305 0.463 20 30 BCEDRO CNC(=S)NN=C1CC[N@H+](C)[C@@H](C)C1 ZINC000741451608 585114230 /nfs/dbraw/zinc/11/42/30/585114230.db2.gz KIBKMDFXPFQQOJ-ZETCQYMHSA-N 1 0 214.338 0.550 20 30 BCEDRO CCC(=NNC(N)=[NH2+])c1c(C)nn(C)c1C ZINC000741838773 585120036 /nfs/dbraw/zinc/12/00/36/585120036.db2.gz ZUBNKFYNIJNESY-UHFFFAOYSA-N 1 0 222.296 0.634 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2ncccn2)CC1 ZINC000743339084 585135387 /nfs/dbraw/zinc/13/53/87/585135387.db2.gz WIFMPPJKKZTLCW-UHFFFAOYSA-N 1 0 246.314 0.857 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc2c(c1)COC2 ZINC000743417004 585136521 /nfs/dbraw/zinc/13/65/21/585136521.db2.gz DZAXBVILJLLRAC-UHFFFAOYSA-N 1 0 218.260 0.924 20 30 BCEDRO C#CCN(CC#CC)C[C@H](O)C[NH+]1CCCC1 ZINC000743854720 585141222 /nfs/dbraw/zinc/14/12/22/585141222.db2.gz JYKVILNMNBJOGI-AWEZNQCLSA-N 1 0 234.343 0.402 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC2(CCCC2)C1 ZINC000743864603 585141326 /nfs/dbraw/zinc/14/13/26/585141326.db2.gz NCRFKDWWANDRSX-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000745821824 585161000 /nfs/dbraw/zinc/16/10/00/585161000.db2.gz APHGNIGPMVWOBR-LLVKDONJSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745858970 585161075 /nfs/dbraw/zinc/16/10/75/585161075.db2.gz VSMHOIDNDUUNIN-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC000746196079 585165077 /nfs/dbraw/zinc/16/50/77/585165077.db2.gz ISGVWLXJKQCATH-UHFFFAOYSA-N 1 0 247.302 0.022 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)C2=CCCCO2)CC1 ZINC000746229085 585166169 /nfs/dbraw/zinc/16/61/69/585166169.db2.gz HVERSTSURAJKDJ-UHFFFAOYSA-N 1 0 249.314 0.785 20 30 BCEDRO C#CCNC(=O)CONC(=[NH2+])C1CCCC1 ZINC000747827528 585184807 /nfs/dbraw/zinc/18/48/07/585184807.db2.gz IAZCJOXDCRWNGX-UHFFFAOYSA-N 1 0 223.276 0.424 20 30 BCEDRO NC(=[NH2+])NN=C1CCc2ccc(F)cc21 ZINC000748778253 585195770 /nfs/dbraw/zinc/19/57/70/585195770.db2.gz HKBOKQCRCAJQQG-UHFFFAOYSA-N 1 0 206.224 0.959 20 30 BCEDRO C#CCN(CC#C)C[C@@H](O)C[NH+]1CCCC1 ZINC000752076433 585241472 /nfs/dbraw/zinc/24/14/72/585241472.db2.gz WILKGQQZYAMNBS-CYBMUJFWSA-N 1 0 220.316 0.012 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1cccnn1 ZINC000752165967 585243213 /nfs/dbraw/zinc/24/32/13/585243213.db2.gz NUDZDSAQIHXKHI-QMMMGPOBSA-N 1 0 205.265 0.826 20 30 BCEDRO CN1CCc2cc(C=[NH+]NCCCO)ccc21 ZINC000752731574 585249197 /nfs/dbraw/zinc/24/91/97/585249197.db2.gz YOHQHLDCSJDTCK-UHFFFAOYSA-N 1 0 233.315 0.985 20 30 BCEDRO COCC(=NNC1=[NH+]C[C@@H](C)N1)c1ccccc1 ZINC000790173105 585250700 /nfs/dbraw/zinc/25/07/00/585250700.db2.gz DWIJPHKSBDDZDM-SNVBAGLBSA-N 1 0 246.314 0.974 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cc(O)cc(O)c1 ZINC000753697343 585266237 /nfs/dbraw/zinc/26/62/37/585266237.db2.gz NAZWKAKBNOQAFM-UHFFFAOYSA-N 1 0 208.221 0.305 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccnn1CC ZINC000753849285 585271392 /nfs/dbraw/zinc/27/13/92/585271392.db2.gz RFNMUAZVONGIEP-UHFFFAOYSA-N 1 0 234.303 0.132 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=NC1=N[C@H]2CCCC[C@@H]2N1 ZINC000753927126 585272043 /nfs/dbraw/zinc/27/20/43/585272043.db2.gz AKXLWPUIOJSXFV-VWYCJHECSA-N 1 0 249.362 0.784 20 30 BCEDRO C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ncc[nH]1 ZINC000753934241 585272223 /nfs/dbraw/zinc/27/22/23/585272223.db2.gz GZNPEIFRMAOFHB-RKDXNWHRSA-N 1 0 232.291 0.604 20 30 BCEDRO Cn1ccnc1C=NNC1=[NH+][C@@H]2CCCC[C@H]2N1 ZINC000753934118 585272258 /nfs/dbraw/zinc/27/22/58/585272258.db2.gz FYMGEVGVTZLJFZ-NXEZZACHSA-N 1 0 246.318 0.614 20 30 BCEDRO C1CC(=NNC2=[NH+][C@H]3CCCC[C@H]3N2)CO1 ZINC000753929085 585272263 /nfs/dbraw/zinc/27/22/63/585272263.db2.gz NYVQLUKZSCDYHP-AOOOYVTPSA-N 1 0 222.292 0.623 20 30 BCEDRO C#CC(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000754056760 585276707 /nfs/dbraw/zinc/27/67/07/585276707.db2.gz OMUBGAQFAHRFJY-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CC(=O)N1CC[C@H](OCC[NH+](CC)CC)C1 ZINC000754059546 585276790 /nfs/dbraw/zinc/27/67/90/585276790.db2.gz LFRRYEZVXRCNDF-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CC(=O)NCCC1CC[NH+](CC)CC1 ZINC000754058661 585276811 /nfs/dbraw/zinc/27/68/11/585276811.db2.gz KQLVVDUPJQDBGB-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO N#CCOc1ccc(C[NH2+]C2(C(N)=O)CC2)cc1 ZINC000754247270 585281065 /nfs/dbraw/zinc/28/10/65/585281065.db2.gz HWIMTLBZEIRDST-UHFFFAOYSA-N 1 0 245.282 0.696 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CC(=O)OC)C1CC1 ZINC000754518635 585285482 /nfs/dbraw/zinc/28/54/82/585285482.db2.gz MVMVQEKEHAKRAA-JTQLQIEISA-N 1 0 240.303 0.220 20 30 BCEDRO CCc1nn(C)c(CC)c1C=NNC(N)=[NH2+] ZINC000755633882 585302825 /nfs/dbraw/zinc/30/28/25/585302825.db2.gz PSYHRHBCJNSEPL-UHFFFAOYSA-N 1 0 222.296 0.362 20 30 BCEDRO C#CCOCCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000755877032 585309043 /nfs/dbraw/zinc/30/90/43/585309043.db2.gz CBQQYEXWDXLANK-UHFFFAOYSA-N 1 0 249.314 0.130 20 30 BCEDRO C[C@@H]1CN(C2CC2)CC1=[NH+]n1cnnc1 ZINC000755873715 585309058 /nfs/dbraw/zinc/30/90/58/585309058.db2.gz LCJICXSNYFWYNV-MRVPVSSYSA-N 1 0 205.265 0.596 20 30 BCEDRO C#CC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000756089745 585314015 /nfs/dbraw/zinc/31/40/15/585314015.db2.gz PXUZPBXTZFUGQP-LBPRGKRZSA-N 1 0 220.316 0.810 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)C(C)(C)O)CC1 ZINC000756844266 585324307 /nfs/dbraw/zinc/32/43/07/585324307.db2.gz SVKLNVFSJZHZDS-UHFFFAOYSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@H]2COCC[C@@H]21 ZINC000756902973 585325124 /nfs/dbraw/zinc/32/51/24/585325124.db2.gz XQZDWPRTGSVXTD-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO C[NH+](C)CCSCC(=O)NCCC#N ZINC000756922481 585325384 /nfs/dbraw/zinc/32/53/84/585325384.db2.gz UCHFRRXNGLNLBY-UHFFFAOYSA-N 1 0 215.322 0.311 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)[C@@](C)(OC)C1CC1 ZINC000839638346 585334927 /nfs/dbraw/zinc/33/49/27/585334927.db2.gz HTXDKICEHDPACU-GXFFZTMASA-N 1 0 238.331 0.529 20 30 BCEDRO C#CCC[N@H+]1CCSC[C@@H](C(=O)OC)C1 ZINC000839677456 585336553 /nfs/dbraw/zinc/33/65/53/585336553.db2.gz SVJZHUBEDIWTTO-JTQLQIEISA-N 1 0 227.329 0.848 20 30 BCEDRO CCC(=NNC1=[NH+]C[C@H](C)N1)c1ccn(C)n1 ZINC000758126480 585349675 /nfs/dbraw/zinc/34/96/75/585349675.db2.gz JSQBWDQGDREGFL-QMMMGPOBSA-N 1 0 234.307 0.472 20 30 BCEDRO C#CCNC(=S)N1CCC[N@@H+](C)CC1 ZINC000758171860 585351008 /nfs/dbraw/zinc/35/10/08/585351008.db2.gz KBOINMOYZXUDDX-UHFFFAOYSA-N 1 0 211.334 0.132 20 30 BCEDRO C#CCNC(=S)NCC[N@H+]1CCCC[C@@H]1C ZINC000758192745 585351151 /nfs/dbraw/zinc/35/11/51/585351151.db2.gz OSSZVBOPBVEVLF-NSHDSACASA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCNC(=S)NC1CC[NH+](C(C)C)CC1 ZINC000758187066 585351366 /nfs/dbraw/zinc/35/13/66/585351366.db2.gz APSDTOPVIZXIGL-UHFFFAOYSA-N 1 0 239.388 0.957 20 30 BCEDRO C#CCNC(=S)N1CC[N@@H+](CC)[C@H](C)C1 ZINC000758250839 585352950 /nfs/dbraw/zinc/35/29/50/585352950.db2.gz GCERXDPEBKOCGI-SNVBAGLBSA-N 1 0 225.361 0.520 20 30 BCEDRO CCC(=[NH+]NCC(N)=O)c1ccc(N(C)C)cc1 ZINC000758904897 585362357 /nfs/dbraw/zinc/36/23/57/585362357.db2.gz UZLATIMIZDCOMJ-UHFFFAOYSA-N 1 0 248.330 0.942 20 30 BCEDRO C#CCOCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000760045118 585384688 /nfs/dbraw/zinc/38/46/88/585384688.db2.gz MTIKGHIKSQVFRN-UHFFFAOYSA-N 1 0 247.298 0.527 20 30 BCEDRO N#Cc1ccc2[nH]cc(C=NNC(N)=[NH2+])c2c1 ZINC000760215528 585386657 /nfs/dbraw/zinc/38/66/57/585386657.db2.gz KLXJRCCDISUJNT-UHFFFAOYSA-N 1 0 226.243 0.857 20 30 BCEDRO C#CCCCC(=O)NCCNc1cc[nH+]cc1 ZINC000760813236 585397465 /nfs/dbraw/zinc/39/74/65/585397465.db2.gz SBPXQZLWCGSSTD-UHFFFAOYSA-N 1 0 231.299 0.835 20 30 BCEDRO C#CCCN1CC[NH+](C[C@H]2CCOC2)CC1 ZINC000760843544 585399408 /nfs/dbraw/zinc/39/94/08/585399408.db2.gz LVVQTADIORKTRQ-CYBMUJFWSA-N 1 0 222.332 0.664 20 30 BCEDRO C#CCC[N@@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000760884618 585401086 /nfs/dbraw/zinc/40/10/86/585401086.db2.gz BUOKSYAWZRMTNN-GFCCVEGCSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CCOCC[N@@H+](C)CC1CCOCC1 ZINC000761107428 585409878 /nfs/dbraw/zinc/40/98/78/585409878.db2.gz FJZFWXZZZBEYDV-UHFFFAOYSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000761109885 585410381 /nfs/dbraw/zinc/41/03/81/585410381.db2.gz PXZCLOLYLXSNQI-RKDXNWHRSA-N 1 0 230.258 0.711 20 30 BCEDRO C[C@H]1CC(N=Nc2cnccn2)C[N@@H+]1C ZINC000761806226 585418840 /nfs/dbraw/zinc/41/88/40/585418840.db2.gz USAKHRXEJKJSFW-QMMMGPOBSA-N 1 0 205.265 0.969 20 30 BCEDRO C[C@@H]1CC(N=Nc2ncccn2)C[N@@H+]1C ZINC000761805282 585418844 /nfs/dbraw/zinc/41/88/44/585418844.db2.gz AIAFJNJCIWLBOV-MRVPVSSYSA-N 1 0 205.265 0.969 20 30 BCEDRO C#CCNC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000761894318 585422428 /nfs/dbraw/zinc/42/24/28/585422428.db2.gz IQMHTZYWSLTCJU-UHFFFAOYSA-N 1 0 238.331 0.411 20 30 BCEDRO COc1nccnc1N=NC1C[C@@H](C)[N@H+](C)C1 ZINC000763412204 585447591 /nfs/dbraw/zinc/44/75/91/585447591.db2.gz OFIYCORHUUYIIR-MRVPVSSYSA-N 1 0 235.291 0.977 20 30 BCEDRO C#CC[N@@H+](CC[C@@H]1CCS(=O)(=O)C1)C1CC1 ZINC000763951252 585457669 /nfs/dbraw/zinc/45/76/69/585457669.db2.gz SNOSTFJAJSYQEQ-LLVKDONJSA-N 1 0 241.356 0.909 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)OC[C@H]1C ZINC000764190689 585461240 /nfs/dbraw/zinc/46/12/40/585461240.db2.gz ZXZBOBSCGHJYAK-GHMZBOCLSA-N 1 0 226.320 0.740 20 30 BCEDRO CC#CC(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000764470444 585465825 /nfs/dbraw/zinc/46/58/25/585465825.db2.gz IRTDARADCKAIBV-NSHDSACASA-N 1 0 206.289 0.706 20 30 BCEDRO CC#CC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000764459814 585465966 /nfs/dbraw/zinc/46/59/66/585465966.db2.gz KNYDDYPAUWNEAB-UHFFFAOYSA-N 1 0 220.276 0.407 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC(CC)(CC)C(N)=O ZINC000764458760 585466053 /nfs/dbraw/zinc/46/60/53/585466053.db2.gz AUGULXGCLFPFNM-UHFFFAOYSA-N 1 0 241.335 0.265 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NO[C@H]1CCCCO1 ZINC000764474859 585466216 /nfs/dbraw/zinc/46/62/16/585466216.db2.gz JJHOQLIKELYNCH-JTQLQIEISA-N 1 0 228.292 0.679 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C)CC#N ZINC000764498456 585466664 /nfs/dbraw/zinc/46/66/64/585466664.db2.gz HQOBMLHDVBMPPA-JTQLQIEISA-N 1 0 209.293 0.865 20 30 BCEDRO C#CCN(CC)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000764514245 585467315 /nfs/dbraw/zinc/46/73/15/585467315.db2.gz JOGLGLKFYYYJJK-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CC[C@H](C)O ZINC000764602558 585468582 /nfs/dbraw/zinc/46/85/82/585468582.db2.gz CUXUNOQPMIGAQG-JTQLQIEISA-N 1 0 214.309 0.334 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1C[C@@H](C)O ZINC000764625590 585469029 /nfs/dbraw/zinc/46/90/29/585469029.db2.gz MHMDQEWBQXTRFG-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NOCc1cccnc1 ZINC000764625383 585469280 /nfs/dbraw/zinc/46/92/80/585469280.db2.gz KEWRAPJXSCVDOW-UHFFFAOYSA-N 1 0 235.287 0.747 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@H](CO)SC ZINC000764631247 585469518 /nfs/dbraw/zinc/46/95/18/585469518.db2.gz JROUKPXKFCQVQE-UWVGGRQHSA-N 1 0 246.376 0.333 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)[C@@H](C)CO ZINC000764634709 585469753 /nfs/dbraw/zinc/46/97/53/585469753.db2.gz XSPOKDAYJSJJLO-UWVGGRQHSA-N 1 0 214.309 0.237 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)[C@@H](C)CC ZINC000764633078 585469779 /nfs/dbraw/zinc/46/97/79/585469779.db2.gz XISNRZRKJOXPEN-ONGXEEELSA-N 1 0 228.336 0.627 20 30 BCEDRO C[C@@H]1CC(=NNS(C)(=O)=O)CN1C1CC1 ZINC000764702993 585471585 /nfs/dbraw/zinc/47/15/85/585471585.db2.gz BCRHYZWGNDHQAS-SSDOTTSWSA-N 1 0 231.321 0.148 20 30 BCEDRO C[C@H]1CC(=NNS(C)(=O)=O)CN1C1CC1 ZINC000764702997 585471606 /nfs/dbraw/zinc/47/16/06/585471606.db2.gz BCRHYZWGNDHQAS-ZETCQYMHSA-N 1 0 231.321 0.148 20 30 BCEDRO CC(C)[C@@H](C(=O)NC1=NO[C@H](C)C1)[NH+](C)C ZINC000765375871 585484428 /nfs/dbraw/zinc/48/44/28/585484428.db2.gz LCBDGDSDJVITDL-SCZZXKLOSA-N 1 0 227.308 0.811 20 30 BCEDRO CC[C@@H](C(=O)NC1=NO[C@H](C)C1)[NH+](C)C ZINC000765383438 585485042 /nfs/dbraw/zinc/48/50/42/585485042.db2.gz IDRHLTWYZCTMME-SFYZADRCSA-N 1 0 213.281 0.565 20 30 BCEDRO Cn1ccnc(N=NC2CC[N@@H+]3CCC[C@H]23)c1=O ZINC000765581142 585490171 /nfs/dbraw/zinc/49/01/71/585490171.db2.gz NOBSVCBLOKVSMQ-SNVBAGLBSA-N 1 0 247.302 0.416 20 30 BCEDRO C[C@H]1CNC(NN=C2CC(C(F)F)C2)=[NH+]1 ZINC000766026620 585496272 /nfs/dbraw/zinc/49/62/72/585496272.db2.gz JGRPDOPJWGVNKJ-ZBHICJROSA-N 1 0 216.235 0.955 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](CO)C(C)C ZINC000805320141 585497548 /nfs/dbraw/zinc/49/75/48/585497548.db2.gz HTEQBTNSZICBLC-LLVKDONJSA-N 1 0 228.336 0.485 20 30 BCEDRO C#CCCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000766905246 585510705 /nfs/dbraw/zinc/51/07/05/585510705.db2.gz IMDCOIHZVIOOTA-ZDUSSCGKSA-N 1 0 240.347 0.025 20 30 BCEDRO C#CCCC[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000766927462 585511794 /nfs/dbraw/zinc/51/17/94/585511794.db2.gz PTKAYBXPHXSZNJ-LBPRGKRZSA-N 1 0 239.315 0.646 20 30 BCEDRO C#CC(=O)N1CC[N@H+](CCOC)[C@H](CCC)C1 ZINC000767123239 585514588 /nfs/dbraw/zinc/51/45/88/585514588.db2.gz NCOZKMGPSOWQCN-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO CC(CC[NH+](C)C)N=Nc1nccn(C)c1=O ZINC000767384568 585518865 /nfs/dbraw/zinc/51/88/65/585518865.db2.gz FVANWSYTPOTZRW-UHFFFAOYSA-N 1 0 237.307 0.520 20 30 BCEDRO CC1CC([NH2+]CCNC(=O)C2N=CC=CC2=O)C1 ZINC000768226010 585534095 /nfs/dbraw/zinc/53/40/95/585534095.db2.gz ASWLRIKKBHOGAH-SEYXRHQNSA-N 1 0 249.314 0.901 20 30 BCEDRO COc1cc(O)c(C=NNC(N)=[NH2+])cc1OC ZINC000768356451 585536867 /nfs/dbraw/zinc/53/68/67/585536867.db2.gz YIYJODOHCNSNFN-UHFFFAOYSA-N 1 0 238.247 0.226 20 30 BCEDRO C[C@@H]1CC(=NN2CC(=O)N(C)C2=O)CC[N@@H+]1C ZINC000768381294 585537395 /nfs/dbraw/zinc/53/73/95/585537395.db2.gz YLGLIIUYZLQZKP-MRVPVSSYSA-N 1 0 238.291 0.351 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](Cc2cn[nH]c2)CC1 ZINC000769025332 585547616 /nfs/dbraw/zinc/54/76/16/585547616.db2.gz LRENQGVSVMRMRN-UHFFFAOYSA-N 1 0 246.314 0.371 20 30 BCEDRO C#CC[N@@H+](CC)C1CCN(C(C)=O)CC1 ZINC000769108060 585549326 /nfs/dbraw/zinc/54/93/26/585549326.db2.gz XPCIPDDSSPHQLN-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@]1(CO)CCC ZINC000769912189 585566065 /nfs/dbraw/zinc/56/60/65/585566065.db2.gz CHSXPYHBFHVNSF-ZDUSSCGKSA-N 1 0 238.331 0.363 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000769961740 585567731 /nfs/dbraw/zinc/56/77/31/585567731.db2.gz NCXAERNEXOQIEU-GHMZBOCLSA-N 1 0 229.345 0.765 20 30 BCEDRO C#CCC[N@H+]1CCCC[C@H](S(C)(=O)=O)C1 ZINC000770001444 585569160 /nfs/dbraw/zinc/56/91/60/585569160.db2.gz MDIURDNPMDETHD-NSHDSACASA-N 1 0 229.345 0.909 20 30 BCEDRO COC(=O)C[C@@]1([NH2+]CCCC#N)CCCOC1 ZINC000770692672 585579993 /nfs/dbraw/zinc/57/99/93/585579993.db2.gz QCZJLBDQWDWWIH-LBPRGKRZSA-N 1 0 240.303 0.992 20 30 BCEDRO C#CC(=O)NC(C)(C)CC[NH+]1CCN(C)CC1 ZINC000771664349 585598117 /nfs/dbraw/zinc/59/81/17/585598117.db2.gz XHZSMCQVRYHXCY-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO COc1cc(C=NNC(N)=[NH2+])ccc1C ZINC000773033484 585629645 /nfs/dbraw/zinc/62/96/45/585629645.db2.gz HEFTWJOKXIUDRC-UHFFFAOYSA-N 1 0 206.249 0.821 20 30 BCEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)C=NOC)C1 ZINC000774014122 585648328 /nfs/dbraw/zinc/64/83/28/585648328.db2.gz OENRITCKKRLJNZ-SNVBAGLBSA-N 1 0 227.308 0.419 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1[nH]cnc1C ZINC000774017918 585648640 /nfs/dbraw/zinc/64/86/40/585648640.db2.gz HZZRYPUHNDLVBE-UHFFFAOYSA-N 1 0 222.292 0.452 20 30 BCEDRO C#C[C@@H]([NH2+]C1CCN(C=O)CC1)[C@@H]1CCCO1 ZINC000774365424 585656991 /nfs/dbraw/zinc/65/69/91/585656991.db2.gz ZZPHELNVPQZJCL-OLZOCXBDSA-N 1 0 236.315 0.378 20 30 BCEDRO CON=CC(=O)N1CC[C@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000774441659 585659197 /nfs/dbraw/zinc/65/91/97/585659197.db2.gz NFHNQCRFLRBNQN-QWRGUYRKSA-N 1 0 239.319 0.561 20 30 BCEDRO CON=CC(=O)N1CC[C@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000774441655 585659330 /nfs/dbraw/zinc/65/93/30/585659330.db2.gz NFHNQCRFLRBNQN-MNOVXSKESA-N 1 0 239.319 0.561 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CCO)c1ccccc1 ZINC000774858989 585667873 /nfs/dbraw/zinc/66/78/73/585667873.db2.gz YOPYKVNGCXCSFK-CYBMUJFWSA-N 1 0 246.310 0.449 20 30 BCEDRO C#C[C@H](NC(=O)[C@H](CC)[NH+](C)C)[C@@H]1CCCO1 ZINC000775353044 585676360 /nfs/dbraw/zinc/67/63/60/585676360.db2.gz ZNPBMQAHIUPPNK-SRVKXCTJSA-N 1 0 238.331 0.624 20 30 BCEDRO C#C[C@@H](NC(=O)C[N@@H+](C)C(C)C)[C@@H]1CCCO1 ZINC000775344874 585676583 /nfs/dbraw/zinc/67/65/83/585676583.db2.gz CHHXRXGWEAXCGL-NEPJUHHUSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CC[C@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000775397973 585677651 /nfs/dbraw/zinc/67/76/51/585677651.db2.gz COYZXRZGOSTHAC-ZDUSSCGKSA-N 1 0 241.294 0.980 20 30 BCEDRO C#CCNC(=O)C[N@H+](CCCC)CCCO ZINC000775561993 585679467 /nfs/dbraw/zinc/67/94/67/585679467.db2.gz ZWNHTPZNUKMAMA-UHFFFAOYSA-N 1 0 226.320 0.220 20 30 BCEDRO C[C@@H]1CCOCCN1CC(=O)NCCC#N ZINC000775569599 585680462 /nfs/dbraw/zinc/68/04/62/585680462.db2.gz NRTMEIRFOULWKU-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO C#C[C@@H]([NH2+]CCn1ccccc1=O)[C@H]1CCCO1 ZINC000775792002 585684799 /nfs/dbraw/zinc/68/47/99/585684799.db2.gz PNGSUVCXERFBJB-CHWSQXEVSA-N 1 0 246.310 0.619 20 30 BCEDRO C#C[C@H]([NH2+]Cc1ccn(C)c(=O)c1)[C@H]1CCCO1 ZINC000775799834 585685122 /nfs/dbraw/zinc/68/51/22/585685122.db2.gz MZYOVPIRFIEIGH-QWHCGFSZSA-N 1 0 246.310 0.656 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)NCCC)[C@@H]1CCCO1 ZINC000775794295 585685270 /nfs/dbraw/zinc/68/52/70/585685270.db2.gz ZRASPCQJROLKFZ-SRVKXCTJSA-N 1 0 238.331 0.672 20 30 BCEDRO C#C[C@H]([NH2+]C/C=C(\C)C(=O)OC)[C@H]1CCCO1 ZINC000775797841 585685304 /nfs/dbraw/zinc/68/53/04/585685304.db2.gz GCYKJLPHDOBDGK-GJKHTVIGSA-N 1 0 237.299 0.876 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)N(C)CC)[C@@H]1CCCO1 ZINC000775801146 585685558 /nfs/dbraw/zinc/68/55/58/585685558.db2.gz WNPJHDOBFRJDKZ-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](SC)[C@@H](N(C)C)C1 ZINC000776002119 585689313 /nfs/dbraw/zinc/68/93/13/585689313.db2.gz SEENIKSVJRLUCP-WDEREUQCSA-N 1 0 212.362 0.987 20 30 BCEDRO C#CCC[N@H+]1C[C@H](SC)[C@@H](N(C)C)C1 ZINC000776002118 585689347 /nfs/dbraw/zinc/68/93/47/585689347.db2.gz SEENIKSVJRLUCP-QWRGUYRKSA-N 1 0 212.362 0.987 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CC)C1CCOCC1 ZINC000776030818 585689436 /nfs/dbraw/zinc/68/94/36/585689436.db2.gz XQDYBCIARLLLAP-LBPRGKRZSA-N 1 0 238.331 0.531 20 30 BCEDRO C=C(C)C[N@@H+](CC)[C@H]1CCC(=O)NC1=O ZINC000776103777 585690185 /nfs/dbraw/zinc/69/01/85/585690185.db2.gz YJGFVVQACJLADL-VIFPVBQESA-N 1 0 210.277 0.690 20 30 BCEDRO C#C[C@H](NC(=O)NCC[NH+](C)C)[C@@H]1CCCO1 ZINC000776228045 585693633 /nfs/dbraw/zinc/69/36/33/585693633.db2.gz NZEDDMYKMJZTAZ-QWRGUYRKSA-N 1 0 239.319 0.028 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(C#N)c(F)c1 ZINC000776763341 585704680 /nfs/dbraw/zinc/70/46/80/585704680.db2.gz CYBMLDGQICRFCF-UHFFFAOYSA-N 1 0 219.223 0.904 20 30 BCEDRO COc1cc(C)nc(C=NNC(N)=[NH2+])c1 ZINC000776764618 585705110 /nfs/dbraw/zinc/70/51/10/585705110.db2.gz SZRHWSAKEQONLE-UHFFFAOYSA-N 1 0 207.237 0.216 20 30 BCEDRO C[C@@H]1CC(NC(=O)[C@H]2CCC[N@@H+]2C)=NO1 ZINC000777434760 585712033 /nfs/dbraw/zinc/71/20/33/585712033.db2.gz AWIUFANKBMGCNR-HTQZYQBOSA-N 1 0 211.265 0.319 20 30 BCEDRO C#CCNC(=O)C[N@H+](C)C[C@@H]1CCCC[C@H]1O ZINC000778247759 585729225 /nfs/dbraw/zinc/72/92/25/585729225.db2.gz XTMDRMNKXORASZ-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO CC(C)OCCN=NC1C[N@H+](C)C[C@@H]1C ZINC000778548416 585736961 /nfs/dbraw/zinc/73/69/61/585736961.db2.gz XAVNDGRHSXUNLV-JTQLQIEISA-N 1 0 213.325 0.939 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc(O)cn2)N1 ZINC000779791434 585763728 /nfs/dbraw/zinc/76/37/28/585763728.db2.gz COCXHPJOXUXKTF-ZETCQYMHSA-N 1 0 219.248 0.058 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cscn1 ZINC000779792347 585763819 /nfs/dbraw/zinc/76/38/19/585763819.db2.gz QTTLJOYVRUAFQV-LURJTMIESA-N 1 0 223.305 0.804 20 30 BCEDRO COCC(=NNC1=[NH+][C@H](C)CN1)C(C)C ZINC000779791490 585763883 /nfs/dbraw/zinc/76/38/83/585763883.db2.gz JZQZGHWXBHWBDM-MRVPVSSYSA-N 1 0 212.297 0.582 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cccc(O)c2O)N1 ZINC000779793847 585763955 /nfs/dbraw/zinc/76/39/55/585763955.db2.gz BCVRNUVTUJYQAQ-SSDOTTSWSA-N 1 0 234.259 0.369 20 30 BCEDRO COc1cccc(C=NNC2=[NH+]C[C@@H](C)N2)c1O ZINC000779793251 585764063 /nfs/dbraw/zinc/76/40/63/585764063.db2.gz YQXSPRISEJSFQB-MRVPVSSYSA-N 1 0 248.286 0.672 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc(C#N)cc2)N1 ZINC000779792960 585764084 /nfs/dbraw/zinc/76/40/84/585764084.db2.gz QDSUMTNVJVQSGW-SECBINFHSA-N 1 0 227.271 0.829 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cn3cccnc3n2)N1 ZINC000779792540 585764107 /nfs/dbraw/zinc/76/41/07/585764107.db2.gz SSSQKXJUDMCUMD-MRVPVSSYSA-N 1 0 243.274 0.001 20 30 BCEDRO C[C@H]1CNC(NN=C2CCO[C@@H](C)C2)=[NH+]1 ZINC000779794511 585764346 /nfs/dbraw/zinc/76/43/46/585764346.db2.gz JMCNZGSODWTZQQ-YUMQZZPRSA-N 1 0 210.281 0.479 20 30 BCEDRO COc1cccc(C=NNC2=[NH+]C[C@H](C)N2)c1 ZINC000779795493 585764353 /nfs/dbraw/zinc/76/43/53/585764353.db2.gz UXWUHFWYQVKMJO-VIFPVBQESA-N 1 0 232.287 0.966 20 30 BCEDRO CC(C)n1cc(C=NNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000779800856 585764807 /nfs/dbraw/zinc/76/48/07/585764807.db2.gz QTELMDBVMXDOJG-SECBINFHSA-N 1 0 234.307 0.735 20 30 BCEDRO Cn1ccnc1C=NNc1ccncc1 ZINC000779811665 585766507 /nfs/dbraw/zinc/76/65/07/585766507.db2.gz HUJGFSGUUJZCIY-UHFFFAOYSA-N 1 0 201.233 0.683 20 30 BCEDRO C[C@@H]1CN(C)C[C@@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000780555550 585781178 /nfs/dbraw/zinc/78/11/78/585781178.db2.gz HUFWFFVXUTUGSA-MFKMUULPSA-N 1 0 230.315 0.993 20 30 BCEDRO C#CCCC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782002223 585806353 /nfs/dbraw/zinc/80/63/53/585806353.db2.gz YBZWWLAMCVKTCU-UHFFFAOYSA-N 1 0 222.288 0.974 20 30 BCEDRO Cc1nc(F)ccc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000782267403 585813428 /nfs/dbraw/zinc/81/34/28/585813428.db2.gz HUOSOCRRCZMBPA-SSDOTTSWSA-N 1 0 235.266 0.800 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000783917905 585845688 /nfs/dbraw/zinc/84/56/88/585845688.db2.gz DGSGPFJIEJYCLA-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000783917907 585845900 /nfs/dbraw/zinc/84/59/00/585845900.db2.gz DGSGPFJIEJYCLA-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)NCCC#N)C1 ZINC000785756181 585879601 /nfs/dbraw/zinc/87/96/01/585879601.db2.gz KVWGYDOCJXZJJS-NSHDSACASA-N 1 0 238.335 0.930 20 30 BCEDRO N#C[C@]1(F)CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000786435098 585891391 /nfs/dbraw/zinc/89/13/91/585891391.db2.gz CFERCFQQGXIRKN-NWDGAFQWSA-N 1 0 241.310 0.381 20 30 BCEDRO N#C[C@@]1(F)CCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000786435100 585891430 /nfs/dbraw/zinc/89/14/30/585891430.db2.gz CFERCFQQGXIRKN-RYUDHWBXSA-N 1 0 241.310 0.381 20 30 BCEDRO C[C@@H]1CC(NC(=O)[C@H]2CCC[N@@H+]2C2CC2)=NO1 ZINC000787477354 585910158 /nfs/dbraw/zinc/91/01/58/585910158.db2.gz CSMGPGYRNGRFHX-PSASIEDQSA-N 1 0 237.303 0.852 20 30 BCEDRO C#CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000787517051 585910778 /nfs/dbraw/zinc/91/07/78/585910778.db2.gz XRYQBHKGYYDOSC-LBPRGKRZSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CCn1cc(CNC(=O)C[NH+](CC)CC)cn1 ZINC000788220654 585919540 /nfs/dbraw/zinc/91/95/40/585919540.db2.gz DIFPOOYCAYIZHO-UHFFFAOYSA-N 1 0 248.330 0.474 20 30 BCEDRO CC#CC(=O)N1CC[C@@H]2[C@H](CCC[N@@H+]2C)C1 ZINC000788305432 585921550 /nfs/dbraw/zinc/92/15/50/585921550.db2.gz AOZOOVRLVTZYLY-VXGBXAGGSA-N 1 0 220.316 0.952 20 30 BCEDRO CC#CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000788305426 585921658 /nfs/dbraw/zinc/92/16/58/585921658.db2.gz AOZOOVRLVTZYLY-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cn2ccccc2n1 ZINC000788424592 585922819 /nfs/dbraw/zinc/92/28/19/585922819.db2.gz JLUXINXMOKVVGM-UHFFFAOYSA-N 1 0 216.248 0.541 20 30 BCEDRO C#CC[NH+]1CCC([C@H](O)c2ncc[nH]2)CC1 ZINC000788467382 585924970 /nfs/dbraw/zinc/92/49/70/585924970.db2.gz GLKUVDFSYMXFLJ-NSHDSACASA-N 1 0 219.288 0.788 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2CCCc3c[nH]nc32)N1 ZINC000789037061 585933851 /nfs/dbraw/zinc/93/38/51/585933851.db2.gz MDTGMRUBEQUAHW-SSDOTTSWSA-N 1 0 232.291 0.387 20 30 BCEDRO C#C[C@@H](C)NC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000789839062 585951362 /nfs/dbraw/zinc/95/13/62/585951362.db2.gz PPRQTUUYSHOIDG-SNVBAGLBSA-N 1 0 249.318 0.588 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cc[nH]c(=O)c1 ZINC000790297335 585962499 /nfs/dbraw/zinc/96/24/99/585962499.db2.gz JIDVXQNSLKLHQZ-SSDOTTSWSA-N 1 0 233.275 0.449 20 30 BCEDRO C=C(CO)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000791327467 585977447 /nfs/dbraw/zinc/97/74/47/585977447.db2.gz LMZYDGFFDCEKKG-MNOVXSKESA-N 1 0 224.304 0.278 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000791373048 585979345 /nfs/dbraw/zinc/97/93/45/585979345.db2.gz AGHCHMNYSYDBNC-LLVKDONJSA-N 1 0 226.320 0.335 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)c1ncon1 ZINC000791393480 585980187 /nfs/dbraw/zinc/98/01/87/585980187.db2.gz SAIRBVVXAJOBKA-MRVPVSSYSA-N 1 0 224.264 0.365 20 30 BCEDRO C#CCCC[N@@H+](C)C1(CO)CCOCC1 ZINC000792408555 586000223 /nfs/dbraw/zinc/00/02/23/586000223.db2.gz FQAMCQVHWAJAOU-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCCC[C@@H]1CCO ZINC000792924330 586007058 /nfs/dbraw/zinc/00/70/58/586007058.db2.gz HOPVZBKNDLBNGA-GFCCVEGCSA-N 1 0 238.331 0.363 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ncncc1F ZINC000793211179 586013954 /nfs/dbraw/zinc/01/39/54/586013954.db2.gz IJTWKIBVPOCUDN-ZETCQYMHSA-N 1 0 223.255 0.965 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CCOC)COC ZINC000793980695 586029697 /nfs/dbraw/zinc/02/96/97/586029697.db2.gz GAQGCHSRISOIDV-NSHDSACASA-N 1 0 244.335 0.272 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](CC)OC ZINC000794141355 586033257 /nfs/dbraw/zinc/03/32/57/586033257.db2.gz PUMDWCLIKUGISL-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](CC)OC ZINC000794141357 586033336 /nfs/dbraw/zinc/03/33/36/586033336.db2.gz PUMDWCLIKUGISL-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NOC/C=C\Cl ZINC000794291780 586037332 /nfs/dbraw/zinc/03/73/32/586037332.db2.gz YTLYGBFVSDNQIX-PLNGDYQASA-N 1 0 218.684 0.905 20 30 BCEDRO CO[C@@H]1CCCC(=NNC2=[NH+][C@@H](C)CN2)C1 ZINC000794530385 586041495 /nfs/dbraw/zinc/04/14/95/586041495.db2.gz LLLPOFPMYMUXNP-WCBMZHEXSA-N 1 0 224.308 0.869 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)C(C)(C)n1cncn1 ZINC000794532071 586042290 /nfs/dbraw/zinc/04/22/90/586042290.db2.gz ZQLUSFUOWTVELM-MRVPVSSYSA-N 1 0 249.322 0.326 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2CCCc3nn(C)cc32)N1 ZINC000794529915 586042362 /nfs/dbraw/zinc/04/23/62/586042362.db2.gz HJIHANGKJFXVPQ-MRVPVSSYSA-N 1 0 246.318 0.398 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)[C@H]1CCOC1 ZINC000794684574 586046659 /nfs/dbraw/zinc/04/66/59/586046659.db2.gz NBAZTCOSEXZJGQ-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO CC[N@H+](CCO[C@H](C)C#N)[C@H](C)CO ZINC000794713870 586046904 /nfs/dbraw/zinc/04/69/04/586046904.db2.gz YXCOMTWGSOMMSW-NXEZZACHSA-N 1 0 200.282 0.618 20 30 BCEDRO C=CCN(CCC#N)C[C@@H](O)C[NH+]1CCCC1 ZINC000794733183 586047509 /nfs/dbraw/zinc/04/75/09/586047509.db2.gz CGONJOPADOHGES-CYBMUJFWSA-N 1 0 237.347 0.845 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000794951682 586056907 /nfs/dbraw/zinc/05/69/07/586056907.db2.gz CLWDIOOQESABJS-GRYCIOLGSA-N 1 0 223.320 0.551 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000794951684 586057141 /nfs/dbraw/zinc/05/71/41/586057141.db2.gz CLWDIOOQESABJS-UTUOFQBUSA-N 1 0 223.320 0.551 20 30 BCEDRO CC#CCC[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794954657 586058043 /nfs/dbraw/zinc/05/80/43/586058043.db2.gz XVIYTZWWZGMBGW-URLYPYJESA-N 1 0 207.273 0.751 20 30 BCEDRO CC[N@@H+]1CCN(CC(=O)NCCC#N)[C@H](C)C1 ZINC000796322235 586100668 /nfs/dbraw/zinc/10/06/68/586100668.db2.gz IKISVQFOMGQAQB-LLVKDONJSA-N 1 0 238.335 0.042 20 30 BCEDRO Cc1noc(C2CCC(N=NC(N)=[NH2+])CC2)n1 ZINC000797401722 586126304 /nfs/dbraw/zinc/12/63/04/586126304.db2.gz MEJIPDHWGHNBLY-UHFFFAOYSA-N 1 0 236.279 0.875 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](CC)CCO ZINC000798298467 586142470 /nfs/dbraw/zinc/14/24/70/586142470.db2.gz PTCCGARNLFIIAP-LLVKDONJSA-N 1 0 228.336 0.629 20 30 BCEDRO C#CCOCCOC(=O)[C@H](C(C)C)[NH+](C)C ZINC000798840537 586151139 /nfs/dbraw/zinc/15/11/39/586151139.db2.gz BTTFNEQQFVLYKB-NSHDSACASA-N 1 0 227.304 0.766 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000799073041 586155523 /nfs/dbraw/zinc/15/55/23/586155523.db2.gz ZPBKXSUIHFCLKP-VXGBXAGGSA-N 1 0 240.347 0.463 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)[C@@H](CC)[NH+](C)C ZINC000799078097 586155942 /nfs/dbraw/zinc/15/59/42/586155942.db2.gz XXQMDPJEKFFUJV-WDEREUQCSA-N 1 0 226.320 0.217 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(N)c([N+](=O)[O-])c1 ZINC000799109216 586156933 /nfs/dbraw/zinc/15/69/33/586156933.db2.gz ZIBVMYGANVJQDR-UHFFFAOYSA-N 1 0 236.235 0.384 20 30 BCEDRO C=CC1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799122753 586160339 /nfs/dbraw/zinc/16/03/39/586160339.db2.gz UZTYXSLHQZQUPB-JTQLQIEISA-N 1 0 222.288 0.690 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCc1cn(C)nn1 ZINC000859318939 589031191 /nfs/dbraw/zinc/03/11/91/589031191.db2.gz JKSCHKFFORJPCX-NSHDSACASA-N 1 0 206.293 0.749 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H](CCO)C2CC2)C1=O ZINC000799166144 586163774 /nfs/dbraw/zinc/16/37/74/586163774.db2.gz ZNIMGJJRDLJWMZ-VXGBXAGGSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H]3C[C@@]3(CO)C2)C1=O ZINC000799166799 586164179 /nfs/dbraw/zinc/16/41/79/586164179.db2.gz JTLYXBQWSSDYHN-MDZLAQPJSA-N 1 0 236.315 0.088 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H](S(C)(=O)=O)C1 ZINC000800465611 586221340 /nfs/dbraw/zinc/22/13/40/586221340.db2.gz DNPGWOUYWMEERP-JTQLQIEISA-N 1 0 215.318 0.519 20 30 BCEDRO CC#CC(=O)N(CC[NH+](C)C)C[C@@H]1CCCO1 ZINC000801150759 586243335 /nfs/dbraw/zinc/24/33/35/586243335.db2.gz DZAUUMWDKNVOKV-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO CC#CC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000801151484 586243502 /nfs/dbraw/zinc/24/35/02/586243502.db2.gz OKEPIJDHJHOKDN-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO CC#CC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000801152687 586243533 /nfs/dbraw/zinc/24/35/33/586243533.db2.gz DEWPUNARYREMCH-UHFFFAOYSA-N 1 0 245.326 0.995 20 30 BCEDRO CC#CC(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@H]21 ZINC000801173877 586245170 /nfs/dbraw/zinc/24/51/70/586245170.db2.gz GAZGZVILVWNVRA-VXGBXAGGSA-N 1 0 220.316 0.952 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCCC[C@H]1CC(N)=O ZINC000801918150 586276185 /nfs/dbraw/zinc/27/61/85/586276185.db2.gz XHASSEMVPBXOTQ-MNOVXSKESA-N 1 0 239.319 0.645 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H]1CCCC[C@@H]1C(N)=O ZINC000801940750 586280570 /nfs/dbraw/zinc/28/05/70/586280570.db2.gz DPEQAXSHFUISAX-VWYCJHECSA-N 1 0 239.319 0.549 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)CC1(O)CCC1 ZINC000801941357 586281002 /nfs/dbraw/zinc/28/10/02/586281002.db2.gz MIWYNXHINJPHKP-JTQLQIEISA-N 1 0 212.293 0.762 20 30 BCEDRO CCO[C@@H]1COCC[C@H]1[NH2+]CCO[C@H](C)C#N ZINC000801943845 586281603 /nfs/dbraw/zinc/28/16/03/586281603.db2.gz JQMAMGFOSRLIRA-IJLUTSLNSA-N 1 0 242.319 0.699 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](CCO)C1CCOCC1 ZINC000801946602 586281648 /nfs/dbraw/zinc/28/16/48/586281648.db2.gz LBYSUAOWMJNGIU-NSHDSACASA-N 1 0 242.319 0.388 20 30 BCEDRO COCCO[C@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801947662 586282513 /nfs/dbraw/zinc/28/25/13/586282513.db2.gz YSNYLVQZOQQNTC-NEPJUHHUSA-N 1 0 242.319 0.652 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000801952232 586282577 /nfs/dbraw/zinc/28/25/77/586282577.db2.gz QEZCLXDGKLIGML-ZYHUDNBSSA-N 1 0 237.303 0.127 20 30 BCEDRO COCCO[C@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801947664 586282886 /nfs/dbraw/zinc/28/28/86/586282886.db2.gz YSNYLVQZOQQNTC-RYUDHWBXSA-N 1 0 242.319 0.652 20 30 BCEDRO CC(C)OC[C@H](CO)[N@H+](C)CCO[C@H](C)C#N ZINC000801951916 586282921 /nfs/dbraw/zinc/28/29/21/586282921.db2.gz ZQJSBKMEQAIYPK-NEPJUHHUSA-N 1 0 244.335 0.633 20 30 BCEDRO COCCC[N@H+](CCO)CCO[C@H](C)C#N ZINC000801947159 586283022 /nfs/dbraw/zinc/28/30/22/586283022.db2.gz RWPYRJCOYLBRGF-LLVKDONJSA-N 1 0 230.308 0.246 20 30 BCEDRO CC[N@H+](CCO[C@H](C)C#N)[C@@H]1CCNC1=O ZINC000801953327 586283985 /nfs/dbraw/zinc/28/39/85/586283985.db2.gz MSMULLHWSIAHQU-NXEZZACHSA-N 1 0 225.292 0.125 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC1(C)COC1 ZINC000859567180 589045239 /nfs/dbraw/zinc/04/52/39/589045239.db2.gz PJSAPVWDAUEVBU-JTQLQIEISA-N 1 0 224.304 0.093 20 30 BCEDRO COC[C@@H](C#N)OC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000803701934 586370124 /nfs/dbraw/zinc/37/01/24/586370124.db2.gz YUTFSDCNJPPOFC-NXEZZACHSA-N 1 0 228.292 0.654 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@](C)(C(N)=O)C(C)C ZINC000804426553 586395204 /nfs/dbraw/zinc/39/52/04/586395204.db2.gz BTYDGNPGTJTSLH-GFCCVEGCSA-N 1 0 241.335 0.120 20 30 BCEDRO C=C(CO)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804527725 586398015 /nfs/dbraw/zinc/39/80/15/586398015.db2.gz SAVWIEWKFFSUAZ-NWDGAFQWSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C(CO)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000804527724 586398510 /nfs/dbraw/zinc/39/85/10/586398510.db2.gz SAVWIEWKFFSUAZ-NEPJUHHUSA-N 1 0 238.331 0.620 20 30 BCEDRO C#Cc1cncc(C(=O)N[C@H]2CCC[N@@H+](C)C2)c1 ZINC000806544665 586414099 /nfs/dbraw/zinc/41/40/99/586414099.db2.gz AGBQKHFKQDKEQY-ZDUSSCGKSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CCC(CC#C)C(=O)NCC[N@@H+](C)C1CC1 ZINC000806584098 586415266 /nfs/dbraw/zinc/41/52/66/586415266.db2.gz DFTHRPHPXFQQGJ-UHFFFAOYSA-N 1 0 232.327 0.860 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000807576705 586446538 /nfs/dbraw/zinc/44/65/38/586446538.db2.gz WHCYTYVMDVVUFH-QWRGUYRKSA-N 1 0 241.335 0.010 20 30 BCEDRO CC(C)n1cc(C=NNC2=[NH+]C[C@@H](C)N2)nn1 ZINC000807981864 586454802 /nfs/dbraw/zinc/45/48/02/586454802.db2.gz TTZBINCKBWJFOJ-MRVPVSSYSA-N 1 0 235.295 0.130 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)N(C)OC)[C@H]1CCCO1 ZINC000808748400 586487431 /nfs/dbraw/zinc/48/74/31/586487431.db2.gz NIQCYYZYLACVCJ-WDEREUQCSA-N 1 0 240.303 0.167 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H](c2cc[nH]n2)C1 ZINC000809571779 586507076 /nfs/dbraw/zinc/50/70/76/586507076.db2.gz BSDSJOPBOWVCGK-GHMZBOCLSA-N 1 0 234.303 0.864 20 30 BCEDRO CON=CC(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000809671973 586511409 /nfs/dbraw/zinc/51/14/09/586511409.db2.gz HHWKJJWNKASXTO-QWRGUYRKSA-N 1 0 241.335 0.998 20 30 BCEDRO CON=CC(=O)N1CCC12CC[NH+](C)CC2 ZINC000809692739 586513485 /nfs/dbraw/zinc/51/34/85/586513485.db2.gz FXHFSUWUIRIAQT-UHFFFAOYSA-N 1 0 225.292 0.315 20 30 BCEDRO CCO[C@@H](CC[NH+](C)C)CNC(=O)C=NOC ZINC000809714005 586514407 /nfs/dbraw/zinc/51/44/07/586514407.db2.gz UHIKBGKDMQFCOJ-JTQLQIEISA-N 1 0 245.323 0.092 20 30 BCEDRO CON=CC(=O)NCC1([NH+](C)C)CCC1 ZINC000809793292 586520627 /nfs/dbraw/zinc/52/06/27/586520627.db2.gz VQSQWVXZCUZNOH-UHFFFAOYSA-N 1 0 213.281 0.219 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000811170106 586556102 /nfs/dbraw/zinc/55/61/02/586556102.db2.gz CSKHUBSIYCLPOC-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@@H](C#N)CN[NH+]=Cc1cnc(N(C)C)n1C ZINC000811645258 586562544 /nfs/dbraw/zinc/56/25/44/586562544.db2.gz GCWLTPXMVQHWCE-VIFPVBQESA-N 1 0 234.307 0.569 20 30 BCEDRO C=CCN[NH+]=Cc1cnc(N(C)C)n1C ZINC000811649875 586562825 /nfs/dbraw/zinc/56/28/25/586562825.db2.gz AIKNFNPBUBQOLZ-UHFFFAOYSA-N 1 0 207.281 0.596 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000812005001 586569423 /nfs/dbraw/zinc/56/94/23/586569423.db2.gz ZSGFGXFHFVAUSR-NEPJUHHUSA-N 1 0 235.331 0.888 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC1=CCCOC1 ZINC000813713283 586605823 /nfs/dbraw/zinc/60/58/23/586605823.db2.gz ZKHPEWCTCWQHED-UHFFFAOYSA-N 1 0 224.304 0.567 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC2(C1)CCCOC2 ZINC000813816919 586606837 /nfs/dbraw/zinc/60/68/37/586606837.db2.gz QWIBJKXFHSAZOH-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CCOCCOC ZINC000813884258 586608553 /nfs/dbraw/zinc/60/85/53/586608553.db2.gz GDHOBBGKFOATGQ-UHFFFAOYSA-N 1 0 244.335 0.226 20 30 BCEDRO C#CCCCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000814144381 586614672 /nfs/dbraw/zinc/61/46/72/586614672.db2.gz HIXNWORNKSAGCS-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO COCCON=C1CC[NH+](CC(C)(C)O)CC1 ZINC000814223628 586617940 /nfs/dbraw/zinc/61/79/40/586617940.db2.gz KULWVLBBAVLPLK-UHFFFAOYSA-N 1 0 244.335 0.872 20 30 BCEDRO C=C[C@H](O)C(=O)OCC[C@H]1CCCC[N@H+]1C ZINC000814542787 586624000 /nfs/dbraw/zinc/62/40/00/586624000.db2.gz ABZQSASXNUVDDE-MNOVXSKESA-N 1 0 227.304 0.951 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cc([N+](=O)[O-])ccc1N ZINC000814796384 586634348 /nfs/dbraw/zinc/63/43/48/586634348.db2.gz AUJMUFMPPNOGKW-UHFFFAOYSA-N 1 0 236.235 0.384 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccccc1-n1cncn1 ZINC000814796394 586634649 /nfs/dbraw/zinc/63/46/49/586634649.db2.gz BENOYDKCAJHNGG-UHFFFAOYSA-N 1 0 229.247 0.084 20 30 BCEDRO C(=NNCC[NH+]1CCCCC1)c1cncnc1 ZINC000814808533 586636118 /nfs/dbraw/zinc/63/61/18/586636118.db2.gz OTMATSZWEDOZIL-UHFFFAOYSA-N 1 0 233.319 0.886 20 30 BCEDRO C[C@H]1CNC(NN=C2CCS[C@H]2C)=[NH+]1 ZINC000814897811 586645549 /nfs/dbraw/zinc/64/55/49/586645549.db2.gz NDHVSXXZIGHYIC-BQBZGAKWSA-N 1 0 212.322 0.805 20 30 BCEDRO Nc1ncc2c(n1)CCCC2=NN[C@@H]1CCOC1 ZINC000814919905 586650833 /nfs/dbraw/zinc/65/08/33/586650833.db2.gz UJJQXEDXWJTTQO-MRVPVSSYSA-N 1 0 247.302 0.478 20 30 BCEDRO Nc1ncc2c(n1)CCCC2=NN[C@H]1CCOC1 ZINC000814919906 586651149 /nfs/dbraw/zinc/65/11/49/586651149.db2.gz UJJQXEDXWJTTQO-QMMMGPOBSA-N 1 0 247.302 0.478 20 30 BCEDRO C[C@H](O)CNN=C1CCC[C@H]([NH+](C)C)C1 ZINC000814959591 586658981 /nfs/dbraw/zinc/65/89/81/586658981.db2.gz IFIYCMUHGNXFBV-ONGXEEELSA-N 1 0 213.325 0.817 20 30 BCEDRO C[C@@H](O)CN[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000814960302 586659074 /nfs/dbraw/zinc/65/90/74/586659074.db2.gz QCVNKSVCYFAHFD-LLVKDONJSA-N 1 0 248.330 0.986 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000815037122 586664541 /nfs/dbraw/zinc/66/45/41/586664541.db2.gz FJTIFACVPOWDFK-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C(C)(C)CC(=O)OC ZINC000815073370 586665332 /nfs/dbraw/zinc/66/53/32/586665332.db2.gz KTZMOMXSYROFMM-UHFFFAOYSA-N 1 0 240.303 0.057 20 30 BCEDRO N#C[C@@H]1CC[C@H]([N@@H+]2C[C@@H]3C[C@]3(CO)C2)C1 ZINC000815100688 586666683 /nfs/dbraw/zinc/66/66/83/586666683.db2.gz VNUFBQGPVQKBFC-NOOOWODRSA-N 1 0 206.289 0.993 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCCN1C(=O)C=NOC ZINC000816484262 586735795 /nfs/dbraw/zinc/73/57/95/586735795.db2.gz WBYVIAZSYGXYSS-SNVBAGLBSA-N 1 0 227.308 0.561 20 30 BCEDRO CON=CC(=O)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000816766686 586763155 /nfs/dbraw/zinc/76/31/55/586763155.db2.gz DOXFNKBMDWLHLE-IUCAKERBSA-N 1 0 213.281 0.170 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[NH+](C(C)C)C(C)C ZINC000816811209 586765647 /nfs/dbraw/zinc/76/56/47/586765647.db2.gz QGHGNNPWMNPGNQ-NSHDSACASA-N 1 0 228.336 0.768 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000816915604 586771169 /nfs/dbraw/zinc/77/11/69/586771169.db2.gz FDDSDCPAIMTHHU-NXEZZACHSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C(C)(C)COC ZINC000817030437 586779861 /nfs/dbraw/zinc/77/98/61/586779861.db2.gz PYNYHGIXSSDVKJ-UHFFFAOYSA-N 1 0 228.336 0.988 20 30 BCEDRO C#Cc1cnc(N(C)C[C@@H]2CCC[N@@H+]2C)nc1 ZINC000817131881 586783549 /nfs/dbraw/zinc/78/35/49/586783549.db2.gz TYWXCBDSVVCTRJ-LBPRGKRZSA-N 1 0 230.315 0.988 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817165637 586784936 /nfs/dbraw/zinc/78/49/36/586784936.db2.gz OGCLTFVKIMNKFG-GHMZBOCLSA-N 1 0 223.320 0.744 20 30 BCEDRO O[C@@H]1CCC[C@H]1NN=C1CC[N@@H+]2CCC[C@H]12 ZINC000817335416 586796891 /nfs/dbraw/zinc/79/68/91/586796891.db2.gz DSXUJLSGTLUQQT-IJLUTSLNSA-N 1 0 223.320 0.714 20 30 BCEDRO C=CCONC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000817785440 586828355 /nfs/dbraw/zinc/82/83/55/586828355.db2.gz IHQIAIYELFUYNC-SNVBAGLBSA-N 1 0 227.308 0.840 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H]1COC ZINC000817806535 586828996 /nfs/dbraw/zinc/82/89/96/586828996.db2.gz APSNYEMEWDUYLX-SNVBAGLBSA-N 1 0 212.293 0.352 20 30 BCEDRO C=CCONC(=O)NC(C)(C)CC[NH3+] ZINC000817878415 586832293 /nfs/dbraw/zinc/83/22/93/586832293.db2.gz UFLBWJINHQMBAM-UHFFFAOYSA-N 1 0 201.270 0.531 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000818170180 586877790 /nfs/dbraw/zinc/87/77/90/586877790.db2.gz LZCIQMMGRQAJAV-ZDUSSCGKSA-N 1 0 238.331 0.479 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H](C)CCO)nn1 ZINC000818346712 586887306 /nfs/dbraw/zinc/88/73/06/586887306.db2.gz NCPHOHXSOMGKQN-VIFPVBQESA-N 1 0 210.281 0.325 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](OC)C1CC1 ZINC000818535902 586898722 /nfs/dbraw/zinc/89/87/22/586898722.db2.gz HHGYEFOCGRQYCQ-LLVKDONJSA-N 1 0 226.320 0.645 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cnco1 ZINC000818593276 586903785 /nfs/dbraw/zinc/90/37/85/586903785.db2.gz SJYBKZFJSRVMOZ-UHFFFAOYSA-N 1 0 221.260 0.360 20 30 BCEDRO C=C(CO)C(=O)N1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000818615531 586906602 /nfs/dbraw/zinc/90/66/02/586906602.db2.gz OKXMVNIJXAMQPA-AOOOYVTPSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[NH2+]CC ZINC000818613547 586906760 /nfs/dbraw/zinc/90/67/60/586906760.db2.gz SNMSUIFYVBKIDU-UWVGGRQHSA-N 1 0 212.293 0.303 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000818969898 586918532 /nfs/dbraw/zinc/91/85/32/586918532.db2.gz BEQAXSWZPYDDOF-LBPRGKRZSA-N 1 0 239.363 0.657 20 30 BCEDRO N#Cc1cccnc1NCC[NH2+]C[C@@H](O)C1CC1 ZINC000818974802 586919468 /nfs/dbraw/zinc/91/94/68/586919468.db2.gz FQVJGJYMYKNBMP-GFCCVEGCSA-N 1 0 246.314 0.726 20 30 BCEDRO CON(C)C(=O)CC[NH2+]CCCCC#N ZINC000819016348 586923869 /nfs/dbraw/zinc/92/38/69/586923869.db2.gz JQYJMCUDLOZKLG-UHFFFAOYSA-N 1 0 213.281 0.680 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CC[C@H](SC)C1 ZINC000819113048 586931500 /nfs/dbraw/zinc/93/15/00/586931500.db2.gz KUNCXJOCCCBUGE-QWRGUYRKSA-N 1 0 240.372 1.000 20 30 BCEDRO C#CCCCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000819156639 586934328 /nfs/dbraw/zinc/93/43/28/586934328.db2.gz JKYLUNCGBOGFCD-CYBMUJFWSA-N 1 0 237.347 0.586 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)COCC(C)C ZINC000819227966 586940269 /nfs/dbraw/zinc/94/02/69/586940269.db2.gz FXPPKECCRNOJED-LBPRGKRZSA-N 1 0 229.320 0.259 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000819231529 586940966 /nfs/dbraw/zinc/94/09/66/586940966.db2.gz XWDNTWBDIHGCDY-AWEZNQCLSA-N 1 0 244.294 0.831 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CCC(=O)N(C)OC ZINC000819382053 586959827 /nfs/dbraw/zinc/95/98/27/586959827.db2.gz IQWZMNNWQDRIRI-QWRGUYRKSA-N 1 0 242.319 0.577 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]CCS(=O)(=O)CC ZINC000819383615 586959853 /nfs/dbraw/zinc/95/98/53/586959853.db2.gz XNSVYBVQCXLXTB-QWRGUYRKSA-N 1 0 247.360 0.602 20 30 BCEDRO CC(C)n1cncc1C=NNC1=[NH+]CCN1 ZINC000819812677 586995463 /nfs/dbraw/zinc/99/54/63/586995463.db2.gz GANQFYVQKUTJFG-UHFFFAOYSA-N 1 0 220.280 0.347 20 30 BCEDRO OCC[NH+]1CCC(=NNC2CCOCC2)CC1 ZINC000819808651 586996320 /nfs/dbraw/zinc/99/63/20/586996320.db2.gz FTEGWBWLGBMPHL-UHFFFAOYSA-N 1 0 241.335 0.199 20 30 BCEDRO OCC[NH+]1CCC(=NOCC2CC2)CC1 ZINC000819812602 586997390 /nfs/dbraw/zinc/99/73/90/586997390.db2.gz DZNOPAUDUDQQHC-UHFFFAOYSA-N 1 0 212.293 0.857 20 30 BCEDRO OCC[NH+]1CCC(=NOC2CCC2)CC1 ZINC000819813767 586997807 /nfs/dbraw/zinc/99/78/07/586997807.db2.gz SJRPBXBKOUELGX-UHFFFAOYSA-N 1 0 212.293 1.000 20 30 BCEDRO CC(C)n1cncc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000819813062 586998189 /nfs/dbraw/zinc/99/81/89/586998189.db2.gz RQOOOBBLINIMSU-VIFPVBQESA-N 1 0 234.307 0.735 20 30 BCEDRO CON=CC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000819922381 586999846 /nfs/dbraw/zinc/99/98/46/586999846.db2.gz CCTOAUDLYQAUAZ-SNVBAGLBSA-N 1 0 241.335 0.807 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000820065124 587017037 /nfs/dbraw/zinc/01/70/37/587017037.db2.gz UCCAHYPNBIQXJI-VXGBXAGGSA-N 1 0 240.347 0.607 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000860131242 589081480 /nfs/dbraw/zinc/08/14/80/589081480.db2.gz IZIWFAWCLQSYKT-QJPTWQEYSA-N 1 0 209.289 0.481 20 30 BCEDRO C#CCSCCNC(=O)C[NH+]1CCCC1 ZINC000820192967 587033465 /nfs/dbraw/zinc/03/34/65/587033465.db2.gz IXQMJYFYSYUBIP-UHFFFAOYSA-N 1 0 226.345 0.565 20 30 BCEDRO C#CCSCCNC(=O)[C@@H](C)[NH+](C)C ZINC000820193386 587033742 /nfs/dbraw/zinc/03/37/42/587033742.db2.gz XBAWRFSAJPYIIU-SECBINFHSA-N 1 0 214.334 0.419 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[C@@H](C)[NH+](C)C ZINC000820394043 587045720 /nfs/dbraw/zinc/04/57/20/587045720.db2.gz DIESNOWELMTWQB-VHSXEESVSA-N 1 0 211.309 0.648 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[C@H](C)[NH+](C)C ZINC000820394044 587045761 /nfs/dbraw/zinc/04/57/61/587045761.db2.gz DIESNOWELMTWQB-ZJUUUORDSA-N 1 0 211.309 0.648 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000820394461 587045774 /nfs/dbraw/zinc/04/57/74/587045774.db2.gz KXOVUBXAXWRXSC-GRYCIOLGSA-N 1 0 235.331 0.744 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC(C)(C)C[NH+](C)C ZINC000820399651 587046087 /nfs/dbraw/zinc/04/60/87/587046087.db2.gz HZEKWGDWSYJDRJ-SECBINFHSA-N 1 0 211.309 0.648 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000820439578 587049253 /nfs/dbraw/zinc/04/92/53/587049253.db2.gz AOPSLXZRVJKXKL-LLVKDONJSA-N 1 0 235.331 0.745 20 30 BCEDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N1CC(C#N)C1 ZINC000820507096 587051968 /nfs/dbraw/zinc/05/19/68/587051968.db2.gz OMZAQQJCRZYIDH-LLVKDONJSA-N 1 0 221.304 0.841 20 30 BCEDRO CC(C)(C)[NH2+]CCC(=O)N1CC(C#N)C1 ZINC000820508000 587052087 /nfs/dbraw/zinc/05/20/87/587052087.db2.gz YFOKYFCBKMUMHF-UHFFFAOYSA-N 1 0 209.293 0.747 20 30 BCEDRO CN(C)c1ccncc1C=[NH+]NCCC(=O)[O-] ZINC000820554233 587054457 /nfs/dbraw/zinc/05/44/57/587054457.db2.gz JIJZQSBXJGXSJX-UHFFFAOYSA-N 1 0 236.275 0.546 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCC[NH+](C)C ZINC000820647186 587058866 /nfs/dbraw/zinc/05/88/66/587058866.db2.gz OSDKSLFPGYWVBA-JTQLQIEISA-N 1 0 211.309 0.649 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@](C)(O)CC ZINC000820681574 587066103 /nfs/dbraw/zinc/06/61/03/587066103.db2.gz WNJGPCIOSYHJLE-GFCCVEGCSA-N 1 0 226.320 0.219 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860164869 589084581 /nfs/dbraw/zinc/08/45/81/589084581.db2.gz OTXCMXXUQHZNON-OPRDCNLKSA-N 1 0 208.261 0.783 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860166604 589085477 /nfs/dbraw/zinc/08/54/77/589085477.db2.gz OJVXTOBJPISQHK-OPRDCNLKSA-N 1 0 224.260 0.020 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000821567428 587128959 /nfs/dbraw/zinc/12/89/59/587128959.db2.gz MYLWANGKPQOWHK-NEPJUHHUSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000822230139 587159253 /nfs/dbraw/zinc/15/92/53/587159253.db2.gz VUPMESKPDZJVFK-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000822473558 587170420 /nfs/dbraw/zinc/17/04/20/587170420.db2.gz ZWPDKIMHRBBQCW-MNOVXSKESA-N 1 0 208.305 0.808 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000822626523 587178083 /nfs/dbraw/zinc/17/80/83/587178083.db2.gz XFPANMAGSOMMDM-CMPLNLGQSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000822626525 587178130 /nfs/dbraw/zinc/17/81/30/587178130.db2.gz XFPANMAGSOMMDM-PWSUYJOCSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCN(CC#N)C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000822679145 587179679 /nfs/dbraw/zinc/17/96/79/587179679.db2.gz BHNIDMLATGOVAY-NSHDSACASA-N 1 0 219.288 0.314 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000822680912 587180908 /nfs/dbraw/zinc/18/09/08/587180908.db2.gz WLXSDSDANGAKAZ-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCCN1CC[NH+](CC[C@@H](C)O)CC1 ZINC000822784911 587185758 /nfs/dbraw/zinc/18/57/58/587185758.db2.gz IMWSLLLALHTNEB-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000823024513 587198550 /nfs/dbraw/zinc/19/85/50/587198550.db2.gz DGEQKOZXAKCCRO-NEPJUHHUSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[NH+](CC)CC ZINC000823309988 587215460 /nfs/dbraw/zinc/21/54/60/587215460.db2.gz FPQFZHWZISFKOW-RYUDHWBXSA-N 1 0 240.347 0.871 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)C[NH+]1CCCC1 ZINC000823376872 587218511 /nfs/dbraw/zinc/21/85/11/587218511.db2.gz JWHCPGZPDLPNJS-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000823438160 587221857 /nfs/dbraw/zinc/22/18/57/587221857.db2.gz CNXPJILMWKWGHY-NSHDSACASA-N 1 0 226.320 0.526 20 30 BCEDRO CCC(=O)N1CCN(CCO[C@@H](C)C#N)C1 ZINC000823497626 587227684 /nfs/dbraw/zinc/22/76/84/587227684.db2.gz IELVUBZJDQOUKL-JTQLQIEISA-N 1 0 225.292 0.427 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)C1(C[NH+](C)C)CC1 ZINC000823541013 587230235 /nfs/dbraw/zinc/23/02/35/587230235.db2.gz GXCHEQPNEDVXLC-NSHDSACASA-N 1 0 236.315 0.189 20 30 BCEDRO N#CC1(CNC(=O)C[NH+]2CCCC2)CCC1 ZINC000823696035 587236684 /nfs/dbraw/zinc/23/66/84/587236684.db2.gz XNOIBCSVMQEKBP-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000823735799 587238747 /nfs/dbraw/zinc/23/87/47/587238747.db2.gz IFJSFLCVXCSKFY-LLVKDONJSA-N 1 0 239.319 0.227 20 30 BCEDRO C#CC1CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000824036404 587250537 /nfs/dbraw/zinc/25/05/37/587250537.db2.gz LNIFTKFETYLAPF-SNVBAGLBSA-N 1 0 208.305 0.808 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1nn(CC)nc1C ZINC000824066007 587253337 /nfs/dbraw/zinc/25/33/37/587253337.db2.gz KNJUCHUJQHYJKZ-LLVKDONJSA-N 1 0 238.335 0.881 20 30 BCEDRO CC#CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824087884 587254344 /nfs/dbraw/zinc/25/43/44/587254344.db2.gz WPQOIQPCNCSOTM-ZJUUUORDSA-N 1 0 208.305 0.855 20 30 BCEDRO CC#CC(=O)N[C@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824087882 587254453 /nfs/dbraw/zinc/25/44/53/587254453.db2.gz WPQOIQPCNCSOTM-UWVGGRQHSA-N 1 0 208.305 0.855 20 30 BCEDRO C=CCCONC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000824659329 587281339 /nfs/dbraw/zinc/28/13/39/587281339.db2.gz DHSMJBVZAABBPP-JTQLQIEISA-N 1 0 212.293 0.952 20 30 BCEDRO C=CCCNC(=O)COC1CC[NH+](C)CC1 ZINC000824910657 587293280 /nfs/dbraw/zinc/29/32/80/587293280.db2.gz SXMQSHCUOKCHJC-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C[NH+]1CCCC1 ZINC000825080977 587303413 /nfs/dbraw/zinc/30/34/13/587303413.db2.gz YZQKGSFJEVODOX-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000826722653 587360097 /nfs/dbraw/zinc/36/00/97/587360097.db2.gz UXYUZMICFRFIHH-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827256394 587374460 /nfs/dbraw/zinc/37/44/60/587374460.db2.gz WGFXQCGVVAVCSQ-VWYCJHECSA-N 1 0 224.304 0.086 20 30 BCEDRO CON=CC(=O)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827265352 587374567 /nfs/dbraw/zinc/37/45/67/587374567.db2.gz HDTXGLDDOXJYPL-ZJUUUORDSA-N 1 0 225.292 0.171 20 30 BCEDRO C#Cc1cnc(N2CCC[C@@H]([NH+](C)C)C2)nc1 ZINC000827548658 587387075 /nfs/dbraw/zinc/38/70/75/587387075.db2.gz WOECJXIYFJKCJV-GFCCVEGCSA-N 1 0 230.315 0.988 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000827590605 587391004 /nfs/dbraw/zinc/39/10/04/587391004.db2.gz BGUMBKCZDZHBSH-GFCCVEGCSA-N 1 0 228.336 0.770 20 30 BCEDRO C#Cc1cnc(N2C[C@H](C)[N@@H+](C)C[C@@H]2C)nc1 ZINC000827852100 587405664 /nfs/dbraw/zinc/40/56/64/587405664.db2.gz JDLWEAZQCPGLBJ-QWRGUYRKSA-N 1 0 230.315 0.987 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)CC1(C)COC1 ZINC000827972309 587411869 /nfs/dbraw/zinc/41/18/69/587411869.db2.gz YUHXSNVTLFSWQB-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)COC(F)(F)F ZINC000827971951 587414091 /nfs/dbraw/zinc/41/40/91/587414091.db2.gz MZEIDKVUTPTZGY-UHFFFAOYSA-N 1 0 238.209 0.204 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@]12C[C@H]1CCC2 ZINC000827971859 587414198 /nfs/dbraw/zinc/41/41/98/587414198.db2.gz JZWZEIXXHPGDPJ-DGCLKSJQSA-N 1 0 220.316 0.858 20 30 BCEDRO C[NH+](C)C1CN(C(=O)C#Cc2cccs2)C1 ZINC000828012107 587416377 /nfs/dbraw/zinc/41/63/77/587416377.db2.gz HHQCFIDKJKDXHC-UHFFFAOYSA-N 1 0 234.324 0.872 20 30 BCEDRO C#C[C@H]([NH2+]CC[S@](C)=O)[C@H]1CCCO1 ZINC000828306918 587433272 /nfs/dbraw/zinc/43/32/72/587433272.db2.gz KDAULUNMKSCSLH-RBZYPMLTSA-N 1 0 215.318 0.135 20 30 BCEDRO C#C[C@H]([NH2+]CC[S@](C)=O)[C@@H]1CCCO1 ZINC000828306915 587433413 /nfs/dbraw/zinc/43/34/13/587433413.db2.gz KDAULUNMKSCSLH-BHDSKKPTSA-N 1 0 215.318 0.135 20 30 BCEDRO C#C[C@H]([NH2+]CC[S@@](C)=O)[C@H]1CCCO1 ZINC000828306916 587433490 /nfs/dbraw/zinc/43/34/90/587433490.db2.gz KDAULUNMKSCSLH-IMSIIYSGSA-N 1 0 215.318 0.135 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1COCCO1)[C@H]1CCCO1 ZINC000828954266 587474721 /nfs/dbraw/zinc/47/47/21/587474721.db2.gz RFEDNHXSIRHJTR-SDDRHHMPSA-N 1 0 225.288 0.172 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)NCC)C1 ZINC000829768287 587514706 /nfs/dbraw/zinc/51/47/06/587514706.db2.gz BIBNMJXSOHPUBR-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000829810050 587518727 /nfs/dbraw/zinc/51/87/27/587518727.db2.gz LAWQBPQSEZCZCM-MNOVXSKESA-N 1 0 234.299 0.527 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC000829814818 587519179 /nfs/dbraw/zinc/51/91/79/587519179.db2.gz ADHPLAMQSQSNQR-GFCCVEGCSA-N 1 0 235.331 0.747 20 30 BCEDRO CCOC(C[N@@H+]1CC[C@](O)(CC#N)C1)OCC ZINC000829992174 587531313 /nfs/dbraw/zinc/53/13/13/587531313.db2.gz STTGMKSHBLMOKG-GFCCVEGCSA-N 1 0 242.319 0.736 20 30 BCEDRO C=CCn1cc(C(=O)OCCC[NH+](C)C)nn1 ZINC000830120084 587536975 /nfs/dbraw/zinc/53/69/75/587536975.db2.gz JJZPQIJFWWQSPJ-UHFFFAOYSA-N 1 0 238.291 0.573 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(CC)CCC[NH+](C)C ZINC000830161862 587539696 /nfs/dbraw/zinc/53/96/96/587539696.db2.gz ZVNMXLIYMIUZSS-GFCCVEGCSA-N 1 0 240.347 0.825 20 30 BCEDRO C#CC1CC[NH+](C[C@@](C)(O)C(=O)OCC)CC1 ZINC000830345926 587547022 /nfs/dbraw/zinc/54/70/22/587547022.db2.gz ZGEHMJXCUKJRGL-CYBMUJFWSA-N 1 0 239.315 0.646 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C(=O)NC)(C(F)(F)F)C1 ZINC000830674336 587563734 /nfs/dbraw/zinc/56/37/34/587563734.db2.gz MBUUCQYALXAAPO-SECBINFHSA-N 1 0 234.221 0.620 20 30 BCEDRO C#CCCC[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000830866432 587574841 /nfs/dbraw/zinc/57/48/41/587574841.db2.gz YCXQCNQIEIMDCG-QWRGUYRKSA-N 1 0 225.288 0.256 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)Cc1ccc(C)cn1 ZINC000831058258 587584365 /nfs/dbraw/zinc/58/43/65/587584365.db2.gz CELBGBBQGHRFOP-UHFFFAOYSA-N 1 0 245.326 0.961 20 30 BCEDRO N#CCCNC(=O)NCCCCCC[NH3+] ZINC000831155618 587587962 /nfs/dbraw/zinc/58/79/62/587587962.db2.gz LISGBXQOTCSQJP-UHFFFAOYSA-N 1 0 212.297 0.718 20 30 BCEDRO C=CCONC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000831172789 587588942 /nfs/dbraw/zinc/58/89/42/587588942.db2.gz MITISEIYNAWBGO-SFYZADRCSA-N 1 0 201.270 0.529 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC12CC[NH2+]CC2)C1CC1 ZINC000831192822 587590876 /nfs/dbraw/zinc/59/08/76/587590876.db2.gz AJGPYGHLIFFROI-GFCCVEGCSA-N 1 0 247.342 0.936 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@](C)(OC)C1(C)C ZINC000831340010 587599489 /nfs/dbraw/zinc/59/94/89/587599489.db2.gz ZJCHAGXWERUZHI-MFKMUULPSA-N 1 0 238.331 0.529 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](O)C(C)(C)C1 ZINC000831425591 587605900 /nfs/dbraw/zinc/60/59/00/587605900.db2.gz HZLIKXCIWQMYEL-JTQLQIEISA-N 1 0 226.320 0.334 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000831752826 587630148 /nfs/dbraw/zinc/63/01/48/587630148.db2.gz FPSWYIZNIIOLIL-SRVKXCTJSA-N 1 0 238.331 0.821 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000832503589 587663969 /nfs/dbraw/zinc/66/39/69/587663969.db2.gz YWJPECSJSSVFJY-IJLUTSLNSA-N 1 0 238.331 0.624 20 30 BCEDRO CON=CC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000832948982 587695373 /nfs/dbraw/zinc/69/53/73/587695373.db2.gz CDALSECVPLCDOE-JTQLQIEISA-N 1 0 239.319 0.561 20 30 BCEDRO C=CCCCC(=O)N1CCO[C@@H]([C@H](C)[NH3+])C1 ZINC000834317204 587751295 /nfs/dbraw/zinc/75/12/95/587751295.db2.gz RDEYPFIAOCLJDN-WDEREUQCSA-N 1 0 226.320 0.917 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC(C)(C)C[NH+]1CCCC1 ZINC000834367822 587753332 /nfs/dbraw/zinc/75/33/32/587753332.db2.gz BIVCVQVUPJDFOV-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CCSCC1 ZINC000834488656 587755912 /nfs/dbraw/zinc/75/59/12/587755912.db2.gz FTDQKVNLKKSCLW-NXEZZACHSA-N 1 0 239.344 0.357 20 30 BCEDRO Cc1cc(F)ccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834480230 587756025 /nfs/dbraw/zinc/75/60/25/587756025.db2.gz MYWCCALRECBZEY-CABZTGNLSA-N 1 0 247.273 0.976 20 30 BCEDRO CC1(C)C(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1(C)C ZINC000834479404 587756076 /nfs/dbraw/zinc/75/60/76/587756076.db2.gz DJOKJFQDLNTATD-RKDXNWHRSA-N 1 0 235.331 0.896 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CC(F)(F)C1 ZINC000834479313 587756160 /nfs/dbraw/zinc/75/61/60/587756160.db2.gz CHVFXZOUIISVCC-HTQZYQBOSA-N 1 0 229.230 0.259 20 30 BCEDRO Cc1nc(C)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)o1 ZINC000834479252 587756241 /nfs/dbraw/zinc/75/62/41/587756241.db2.gz BOBRMHUDUFEIHH-RKDXNWHRSA-N 1 0 234.259 0.133 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cncc(F)c1 ZINC000834480536 587756413 /nfs/dbraw/zinc/75/64/13/587756413.db2.gz RSMUSJRKXAUTPI-SCZZXKLOSA-N 1 0 234.234 0.062 20 30 BCEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)C(C)(C)C ZINC000834488740 587756736 /nfs/dbraw/zinc/75/67/36/587756736.db2.gz GIJZMYQTAFVURO-KXUCPTDWSA-N 1 0 223.320 0.896 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC1CCOCC1 ZINC000834489751 587756885 /nfs/dbraw/zinc/75/68/85/587756885.db2.gz PCIYUXHAZGCYGE-MNOVXSKESA-N 1 0 237.303 0.031 20 30 BCEDRO Cc1cncc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834490538 587757093 /nfs/dbraw/zinc/75/70/93/587757093.db2.gz VQRWPFIGZZPSKP-QWRGUYRKSA-N 1 0 230.271 0.231 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC1CCOCC1 ZINC000834489750 587757111 /nfs/dbraw/zinc/75/71/11/587757111.db2.gz PCIYUXHAZGCYGE-GHMZBOCLSA-N 1 0 237.303 0.031 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1cccc(N)c1 ZINC000834493817 587757175 /nfs/dbraw/zinc/75/71/75/587757175.db2.gz HSPLABXRCLMNEE-CMPLNLGQSA-N 1 0 244.298 0.039 20 30 BCEDRO CC(C)c1ocnc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834489181 587757226 /nfs/dbraw/zinc/75/72/26/587757226.db2.gz KHGCUHKMATYWTH-IUCAKERBSA-N 1 0 248.286 0.639 20 30 BCEDRO CC(C)CO[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834495728 587757281 /nfs/dbraw/zinc/75/72/81/587757281.db2.gz YRUKDZVZMZZLDI-VWYCJHECSA-N 1 0 239.319 0.275 20 30 BCEDRO CC(C)n1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834498816 587757333 /nfs/dbraw/zinc/75/73/33/587757333.db2.gz BUXWSVRAYDTJRF-MWLCHTKSSA-N 1 0 247.302 0.305 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C\c1ccsc1 ZINC000834499394 587757413 /nfs/dbraw/zinc/75/74/13/587757413.db2.gz IALPUWLWZQAZIK-OVVPUXAQSA-N 1 0 247.323 0.989 20 30 BCEDRO CCn1nc(C)cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834494517 587757448 /nfs/dbraw/zinc/75/74/48/587757448.db2.gz NRPQIPNIHBBYFC-NXEZZACHSA-N 1 0 247.302 0.053 20 30 BCEDRO Cc1nscc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834499432 587757509 /nfs/dbraw/zinc/75/75/09/587757509.db2.gz IKXCYEXMYGSEGE-CBAPKCEASA-N 1 0 236.300 0.293 20 30 BCEDRO CC(C)c1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)no1 ZINC000834498880 587757568 /nfs/dbraw/zinc/75/75/68/587757568.db2.gz CNSAWMMWTUQLJD-WCBMZHEXSA-N 1 0 248.286 0.639 20 30 BCEDRO Cc1cccc(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834495666 587757663 /nfs/dbraw/zinc/75/76/63/587757663.db2.gz XNWLQVPYJBGOMN-OLZOCXBDSA-N 1 0 243.310 0.765 20 30 BCEDRO CO[C@H](C)CCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834500338 587757673 /nfs/dbraw/zinc/75/76/73/587757673.db2.gz SENPHXQEOLARSK-OPRDCNLKSA-N 1 0 225.292 0.029 20 30 BCEDRO CCc1noc(C)c1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834500594 587757688 /nfs/dbraw/zinc/75/76/88/587757688.db2.gz UZCARSWIKVGPLE-WCBMZHEXSA-N 1 0 248.286 0.387 20 30 BCEDRO Cc1noc(C)c1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834505102 587757723 /nfs/dbraw/zinc/75/77/23/587757723.db2.gz HXQWZYRKDDVETL-RKDXNWHRSA-N 1 0 234.259 0.133 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1conc1C1CC1 ZINC000834500546 587757754 /nfs/dbraw/zinc/75/77/54/587757754.db2.gz ULORCEHZBIUJCP-WCBMZHEXSA-N 1 0 246.270 0.393 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccccc1O ZINC000834505363 587757780 /nfs/dbraw/zinc/75/77/80/587757780.db2.gz KCAJWFZZOSDTEP-PSASIEDQSA-N 1 0 231.255 0.234 20 30 BCEDRO COc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834505436 587757945 /nfs/dbraw/zinc/75/79/45/587757945.db2.gz KUQVKUUJFVKXOG-JQWIXIFHSA-N 1 0 245.282 0.537 20 30 BCEDRO Cc1ccoc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834510493 587758078 /nfs/dbraw/zinc/75/80/78/587758078.db2.gz BPUYIOSUMSPXMC-IUCAKERBSA-N 1 0 219.244 0.429 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cccc(F)c1 ZINC000834506969 587758080 /nfs/dbraw/zinc/75/80/80/587758080.db2.gz WSQUIQKAGBNUBT-JQWIXIFHSA-N 1 0 247.273 0.596 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1C ZINC000834511548 587758181 /nfs/dbraw/zinc/75/81/81/587758181.db2.gz MFKZJDFDIHHQFD-UWVGGRQHSA-N 1 0 232.287 0.175 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1F ZINC000834510823 587758225 /nfs/dbraw/zinc/75/82/25/587758225.db2.gz FTCBTKMJLXZXBI-CMPLNLGQSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(F)c1 ZINC000834511205 587758260 /nfs/dbraw/zinc/75/82/60/587758260.db2.gz JKDXTKZOPWCPLR-MWLCHTKSSA-N 1 0 233.246 0.667 20 30 BCEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(C)o1 ZINC000834512035 587758324 /nfs/dbraw/zinc/75/83/24/587758324.db2.gz RDXBOBHOOYBPFM-MWLCHTKSSA-N 1 0 233.271 0.738 20 30 BCEDRO Cc1ccc(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834511149 587758405 /nfs/dbraw/zinc/75/84/05/587758405.db2.gz ISOUVPBMGCAYPY-QWHCGFSZSA-N 1 0 243.310 0.765 20 30 BCEDRO Cc1noc(C)c1CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834512617 587758423 /nfs/dbraw/zinc/75/84/23/587758423.db2.gz ZHCIPBXCEAULGO-MWLCHTKSSA-N 1 0 248.286 0.062 20 30 BCEDRO COCc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)o1 ZINC000834517584 587758465 /nfs/dbraw/zinc/75/84/65/587758465.db2.gz XHHDKDREQOSLCO-WPRPVWTQSA-N 1 0 249.270 0.267 20 30 BCEDRO CC(C)(C)SCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834516534 587758711 /nfs/dbraw/zinc/75/87/11/587758711.db2.gz JQPIHWKRUINQTI-RKDXNWHRSA-N 1 0 241.360 0.746 20 30 BCEDRO CC(C)(C)SCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834516533 587758722 /nfs/dbraw/zinc/75/87/22/587758722.db2.gz JQPIHWKRUINQTI-IUCAKERBSA-N 1 0 241.360 0.746 20 30 BCEDRO C#CCn1cc(CNC(=O)[C@@H](CC)[NH+](C)C)cn1 ZINC000834610049 587760720 /nfs/dbraw/zinc/76/07/20/587760720.db2.gz UVZDVXMXZHUUPD-GFCCVEGCSA-N 1 0 248.330 0.473 20 30 BCEDRO C[NH+]1CCN(NC=C2CC2(F)F)CC1 ZINC000834914797 587770491 /nfs/dbraw/zinc/77/04/91/587770491.db2.gz UHZUDSOTFAIFSM-MRVPVSSYSA-N 1 0 203.236 0.875 20 30 BCEDRO C[C@H](O)CN[NH+]=C1CCc2cc(N)ccc21 ZINC000834982434 587776007 /nfs/dbraw/zinc/77/60/07/587776007.db2.gz BNHYWPQOIYGRNF-QMMMGPOBSA-N 1 0 219.288 0.890 20 30 BCEDRO C[C@@H](O)CN[NH+]=C1CCc2cc(N)ccc21 ZINC000834982433 587776075 /nfs/dbraw/zinc/77/60/75/587776075.db2.gz BNHYWPQOIYGRNF-MRVPVSSYSA-N 1 0 219.288 0.890 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N1CC[C@@H](F)C1 ZINC000836491109 587834328 /nfs/dbraw/zinc/83/43/28/587834328.db2.gz HVYKAKHPEAIZBI-LLVKDONJSA-N 1 0 241.310 0.695 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](F)[C@@H](F)C1 ZINC000836821226 587838757 /nfs/dbraw/zinc/83/87/57/587838757.db2.gz XFKBETXQYJJAOT-DTORHVGOSA-N 1 0 218.247 0.623 20 30 BCEDRO O=C(C#CC1CC1)NCC[NH+]1CCCC1 ZINC000837317111 587866086 /nfs/dbraw/zinc/86/60/86/587866086.db2.gz MCIKDYBQKKYHIH-UHFFFAOYSA-N 1 0 206.289 0.612 20 30 BCEDRO C[C@@H](CNC(=O)C#CC1CC1)[N@H+](C)C1CC1 ZINC000837391974 587870465 /nfs/dbraw/zinc/87/04/65/587870465.db2.gz HWKAEKIPOMBUNI-JTQLQIEISA-N 1 0 220.316 0.999 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NC(=O)C#CC1CC1 ZINC000837416078 587871047 /nfs/dbraw/zinc/87/10/47/587871047.db2.gz MIPJYDRWXOKTQZ-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C[C@@H]1CC[N@H+](CCNC(=O)C#CC2CC2)C1 ZINC000837447026 587873852 /nfs/dbraw/zinc/87/38/52/587873852.db2.gz BRVKPSZMQLSUPD-LLVKDONJSA-N 1 0 220.316 0.858 20 30 BCEDRO C[N@@H+]1CCN(C(=O)C#CC2CC2)C(C)(C)C1 ZINC000837506594 587878507 /nfs/dbraw/zinc/87/85/07/587878507.db2.gz AWHWHODVEAWPOP-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO C[N@H+]1C[C@H]2CN(C(=O)C#CC3CC3)C[C@H]2C1 ZINC000837580193 587883656 /nfs/dbraw/zinc/88/36/56/587883656.db2.gz AUIDCWRKEDEPES-TXEJJXNPSA-N 1 0 218.300 0.420 20 30 BCEDRO C[C@H](CNC(=O)C#CC1CC1)C[NH+](C)C ZINC000837664379 587888947 /nfs/dbraw/zinc/88/89/47/587888947.db2.gz NJTBTXPLWCDYJR-SNVBAGLBSA-N 1 0 208.305 0.714 20 30 BCEDRO CCOCCON=C(N)CN1CCSCC1 ZINC000121482585 587911035 /nfs/dbraw/zinc/91/10/35/587911035.db2.gz DNOAFKYNZDCCPI-UHFFFAOYSA-N 1 0 247.364 0.361 20 30 BCEDRO C=CCNC(=S)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000840800342 587922128 /nfs/dbraw/zinc/92/21/28/587922128.db2.gz RFOBBFDBFYNJIC-ZJUUUORDSA-N 1 0 225.361 0.683 20 30 BCEDRO C#CCNC(=S)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000840833708 587924370 /nfs/dbraw/zinc/92/43/70/587924370.db2.gz UAKGQDPKXYXXQN-NSHDSACASA-N 1 0 239.388 0.909 20 30 BCEDRO C=CCNC(=S)N[C@@H]1CC[N@@H+](CC)C1 ZINC000840865515 587926662 /nfs/dbraw/zinc/92/66/62/587926662.db2.gz CRDMNBPQVJPCOL-SECBINFHSA-N 1 0 213.350 0.731 20 30 BCEDRO Cc1cc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)ccn1 ZINC000841166225 587947965 /nfs/dbraw/zinc/94/79/65/587947965.db2.gz MBDYIGABUZQRNP-KOLCDFICSA-N 1 0 245.286 0.045 20 30 BCEDRO Cc1occc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000841633599 587962842 /nfs/dbraw/zinc/96/28/42/587962842.db2.gz LNVLOMBRCMXXNB-ZETCQYMHSA-N 1 0 206.249 0.859 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc(O)c(F)c1 ZINC000841658426 587968590 /nfs/dbraw/zinc/96/85/90/587968590.db2.gz AEGIULPFGYGGLI-UHFFFAOYSA-N 1 0 236.250 0.804 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1ccc2c(c1)CCO2 ZINC000841658519 587968681 /nfs/dbraw/zinc/96/86/81/587968681.db2.gz FCFHGWMULKBFBA-UHFFFAOYSA-N 1 0 230.271 0.504 20 30 BCEDRO CC[N@@H+]1CCC(N=NC2=NCCN2)[C@H](C)C1 ZINC000841660100 587969380 /nfs/dbraw/zinc/96/93/80/587969380.db2.gz VCIUFALFRFKIOM-SECBINFHSA-N 1 0 223.324 0.253 20 30 BCEDRO CC(C)(O)c1ccc(C=NNC2=[NH+]CCN2)cc1 ZINC000841661315 587970059 /nfs/dbraw/zinc/97/00/59/587970059.db2.gz WTIGCRMVSKNISO-UHFFFAOYSA-N 1 0 246.314 0.797 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1cn2ccccc2n1 ZINC000841662504 587970878 /nfs/dbraw/zinc/97/08/78/587970878.db2.gz YDLSNPNCEKPOAP-UHFFFAOYSA-N 1 0 242.286 0.607 20 30 BCEDRO C#CCSCCNC(=O)NCC1([NH3+])CCC1 ZINC000841831725 587976525 /nfs/dbraw/zinc/97/65/25/587976525.db2.gz CZVOBQLEDYZLLR-UHFFFAOYSA-N 1 0 241.360 0.533 20 30 BCEDRO C#CCSCCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000841831582 587976540 /nfs/dbraw/zinc/97/65/40/587976540.db2.gz WSCWKLCYHQVGMU-JTQLQIEISA-N 1 0 241.360 0.356 20 30 BCEDRO C#CCCCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000841861136 587978807 /nfs/dbraw/zinc/97/88/07/587978807.db2.gz SZQLEGZJQKSLQI-LLVKDONJSA-N 1 0 223.320 0.841 20 30 BCEDRO C#CCCCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000841860814 587979085 /nfs/dbraw/zinc/97/90/85/587979085.db2.gz PLSWQMAHFNQDCP-URLYPYJESA-N 1 0 221.304 0.307 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1COC(C)(C)C1 ZINC000841869403 587979476 /nfs/dbraw/zinc/97/94/76/587979476.db2.gz ANSSTGXRKQUPBD-JTQLQIEISA-N 1 0 247.360 0.744 20 30 BCEDRO C#C[C@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1CCCO1 ZINC000841882447 587980163 /nfs/dbraw/zinc/98/01/63/587980163.db2.gz ZKSFSPFBUXUVLT-GARJFASQSA-N 1 0 239.319 0.204 20 30 BCEDRO C#C[C@H](NC(=O)N(C)CCC[NH3+])[C@H]1CCCO1 ZINC000841881040 587980206 /nfs/dbraw/zinc/98/02/06/587980206.db2.gz MTQUSXAAOYTWJJ-WDEREUQCSA-N 1 0 239.319 0.157 20 30 BCEDRO C#C[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@H]1CCCO1 ZINC000841881787 587980395 /nfs/dbraw/zinc/98/03/95/587980395.db2.gz UXVKXIWGXDFTBL-NXEZZACHSA-N 1 0 239.319 0.204 20 30 BCEDRO C#CCCCNC(=O)NCC1([NH3+])CCC1 ZINC000841887002 587981232 /nfs/dbraw/zinc/98/12/32/587981232.db2.gz XJSQXRIDSFLTJK-UHFFFAOYSA-N 1 0 209.293 0.580 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000841887035 587981474 /nfs/dbraw/zinc/98/14/74/587981474.db2.gz XQXGRHDHAFSDEA-GHMZBOCLSA-N 1 0 223.320 0.697 20 30 BCEDRO C=CCONC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000841913446 587985007 /nfs/dbraw/zinc/98/50/07/587985007.db2.gz NJVNBBHOLMQBGN-UHFFFAOYSA-N 1 0 213.281 0.497 20 30 BCEDRO C=CCONC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000841913102 587984765 /nfs/dbraw/zinc/98/47/65/587984765.db2.gz IJUBIVRNYZMUBQ-GARJFASQSA-N 1 0 239.319 0.873 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841913271 587984875 /nfs/dbraw/zinc/98/48/75/587984875.db2.gz LRNDRWUTYWQFPH-DTWKUNHWSA-N 1 0 213.281 0.673 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000841914107 587984908 /nfs/dbraw/zinc/98/49/08/587984908.db2.gz YSEBNKGIPIVHGJ-HBNTYKKESA-N 1 0 239.319 0.791 20 30 BCEDRO C=CCONC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841913141 587985004 /nfs/dbraw/zinc/98/50/04/587985004.db2.gz IZVVBELWPKZZDE-VIFPVBQESA-N 1 0 213.281 0.545 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000841914103 587985076 /nfs/dbraw/zinc/98/50/76/587985076.db2.gz YSEBNKGIPIVHGJ-GMTAPVOTSA-N 1 0 239.319 0.791 20 30 BCEDRO C=CCONC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000841913206 587985089 /nfs/dbraw/zinc/98/50/89/587985089.db2.gz KXWSPQKRZIWZOR-DTWKUNHWSA-N 1 0 213.281 0.496 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC1CC[NH2+]CC1 ZINC000841923462 587985318 /nfs/dbraw/zinc/98/53/18/587985318.db2.gz HITGYHCGHKAKBW-SECBINFHSA-N 1 0 209.293 0.307 20 30 BCEDRO C#C[C@H](C)NC(=O)NCCC[NH2+]C1CC1 ZINC000841918524 587985341 /nfs/dbraw/zinc/98/53/41/587985341.db2.gz MMCWZTSVGDZQDP-VIFPVBQESA-N 1 0 209.293 0.449 20 30 BCEDRO C#CCCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000841927796 587985697 /nfs/dbraw/zinc/98/56/97/587985697.db2.gz NTVAIEIJWTYVPZ-WDEREUQCSA-N 1 0 223.320 0.697 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC[NH2+]C1CC1 ZINC000841928805 587985813 /nfs/dbraw/zinc/98/58/13/587985813.db2.gz BUVXQQUDYAHPNA-UHFFFAOYSA-N 1 0 233.315 0.407 20 30 BCEDRO C#CCCNC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000841927793 587985842 /nfs/dbraw/zinc/98/58/42/587985842.db2.gz NTVAIEIJWTYVPZ-QWRGUYRKSA-N 1 0 223.320 0.697 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCC[NH2+]C1CC1 ZINC000841929741 587985899 /nfs/dbraw/zinc/98/58/99/587985899.db2.gz KZJQFVFXKXHLLU-SNVBAGLBSA-N 1 0 223.320 0.840 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H](C[NH3+])CCCC ZINC000841957895 587986655 /nfs/dbraw/zinc/98/66/55/587986655.db2.gz BOSZWWPMBSUOQE-VHSXEESVSA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H](C[NH3+])CCCC ZINC000841957894 587986675 /nfs/dbraw/zinc/98/66/75/587986675.db2.gz BOSZWWPMBSUOQE-UWVGGRQHSA-N 1 0 211.309 0.825 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@@H](C)CC[NH3+] ZINC000841967623 587987263 /nfs/dbraw/zinc/98/72/63/587987263.db2.gz OXKSXYFNONPVKD-ZETCQYMHSA-N 1 0 205.689 0.775 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841978728 587987588 /nfs/dbraw/zinc/98/75/88/587987588.db2.gz PJADKSYNNRMHMQ-NXEZZACHSA-N 1 0 209.293 0.449 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841981168 587987675 /nfs/dbraw/zinc/98/76/75/587987675.db2.gz TVVDXQSXAFKQLP-NXEZZACHSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841982178 587987688 /nfs/dbraw/zinc/98/76/88/587987688.db2.gz RNVCKEDNOJOFHD-WDEREUQCSA-N 1 0 223.320 0.921 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000841977536 587987774 /nfs/dbraw/zinc/98/77/74/587987774.db2.gz MSGLADRXWGOPLV-NXEZZACHSA-N 1 0 209.293 0.307 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842005263 587988700 /nfs/dbraw/zinc/98/87/00/587988700.db2.gz RLLIHJPKUYYVQA-HTQZYQBOSA-N 1 0 231.246 0.305 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000842011491 587988864 /nfs/dbraw/zinc/98/88/64/587988864.db2.gz PDGXCPQECHDOOI-QMMMGPOBSA-N 1 0 233.699 0.027 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000842015703 587988921 /nfs/dbraw/zinc/98/89/21/587988921.db2.gz PBHSTSDDQDYCQC-WHOHXGKFSA-N 1 0 235.331 0.695 20 30 BCEDRO C#CC[C@H]1NC(=O)N(CC[N@@H+](C)C2CC2)C1=O ZINC000842238137 588007960 /nfs/dbraw/zinc/00/79/60/588007960.db2.gz ISEUZWJUAQMYOP-SNVBAGLBSA-N 1 0 235.287 0.024 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)CCCCCC ZINC000843105372 588079643 /nfs/dbraw/zinc/07/96/43/588079643.db2.gz SEJBIHZRGSIUPR-NEPJUHHUSA-N 1 0 213.321 0.901 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]CCS(=O)(=O)CC ZINC000843105539 588081585 /nfs/dbraw/zinc/08/15/85/588081585.db2.gz VJRLTXIUMYGUOF-SNVBAGLBSA-N 1 0 235.349 0.195 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([NH+]2CCC(C#C)CC2)C1=O ZINC000843270531 588096356 /nfs/dbraw/zinc/09/63/56/588096356.db2.gz WTYWNMDDDSZGGJ-GFCCVEGCSA-N 1 0 244.294 0.092 20 30 BCEDRO C=CC[C@H](C)NC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000843442239 588110734 /nfs/dbraw/zinc/11/07/34/588110734.db2.gz LSDIHOFTHNVEGT-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO CCC/C(C)=C\C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843458886 588111740 /nfs/dbraw/zinc/11/17/40/588111740.db2.gz AVPCVUMAEQEOAA-XFDQCWFDSA-N 1 0 221.304 0.961 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1(C(F)F)CC1 ZINC000843461707 588112569 /nfs/dbraw/zinc/11/25/69/588112569.db2.gz WHDYCANUYPUPPM-RQJHMYQMSA-N 1 0 229.230 0.259 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(C(F)F)CC1 ZINC000843461705 588112689 /nfs/dbraw/zinc/11/26/89/588112689.db2.gz WHDYCANUYPUPPM-NKWVEPMBSA-N 1 0 229.230 0.259 20 30 BCEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)c1ccccn1 ZINC000843461502 588112751 /nfs/dbraw/zinc/11/27/51/588112751.db2.gz VDKOJGDDUPBGPE-JBLDHEPKSA-N 1 0 244.298 0.413 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C\c1ccco1 ZINC000843461640 588112807 /nfs/dbraw/zinc/11/28/07/588112807.db2.gz MNLTWOUBNXTEJM-QKXNICGJSA-N 1 0 231.255 0.521 20 30 BCEDRO Cc1c[nH]cc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000843464235 588113076 /nfs/dbraw/zinc/11/30/76/588113076.db2.gz ZXVXOBMFOKVZRW-WCBMZHEXSA-N 1 0 218.260 0.165 20 30 BCEDRO CC[C@H](SC)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000844194839 588172618 /nfs/dbraw/zinc/17/26/18/588172618.db2.gz NMEOFHHTARWYHE-VGMNWLOBSA-N 1 0 227.333 0.356 20 30 BCEDRO CC[C@H](SC)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000844194837 588172834 /nfs/dbraw/zinc/17/28/34/588172834.db2.gz NMEOFHHTARWYHE-CIUDSAMLSA-N 1 0 227.333 0.356 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C\c1cccnc1 ZINC000844194236 588172893 /nfs/dbraw/zinc/17/28/93/588172893.db2.gz CRUMBZJDLGFYGL-BKGLOODYSA-N 1 0 242.282 0.323 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCOc1cccc(C)c1 ZINC000105861471 588226938 /nfs/dbraw/zinc/22/69/38/588226938.db2.gz GNSRWVCKTTXOEP-UHFFFAOYSA-N 1 0 246.310 0.713 20 30 BCEDRO C=C[C@H](C)ONC(=O)NC[C@H](C)[NH+](C)C ZINC000845614971 588236403 /nfs/dbraw/zinc/23/64/03/588236403.db2.gz GRRLLXGSIFEPRL-IUCAKERBSA-N 1 0 215.297 0.742 20 30 BCEDRO C=C[C@H](C)ONC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000845639465 588239289 /nfs/dbraw/zinc/23/92/89/588239289.db2.gz PXDAKZKPLFYYCT-VHSXEESVSA-N 1 0 227.308 0.886 20 30 BCEDRO C=C[C@H](C)ONC(=O)N1CCC[N@H+](C)CC1 ZINC000845639161 588239319 /nfs/dbraw/zinc/23/93/19/588239319.db2.gz OQCBFBDODHBYFJ-JTQLQIEISA-N 1 0 227.308 0.840 20 30 BCEDRO N#CCCNC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846164872 588258922 /nfs/dbraw/zinc/25/89/22/588258922.db2.gz YRYAPGUZHYOYCM-JQWIXIFHSA-N 1 0 236.319 0.670 20 30 BCEDRO C=CCONC(=O)N1C[C@@H]2CCC[C@]2(C[NH3+])C1 ZINC000846172748 588259207 /nfs/dbraw/zinc/25/92/07/588259207.db2.gz OSDQVADOKMDJGE-JQWIXIFHSA-N 1 0 239.319 0.874 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H](N)CC[NH+](C)C ZINC000846671409 588282131 /nfs/dbraw/zinc/28/21/31/588282131.db2.gz SEEWJJNWGIWYBJ-QMMMGPOBSA-N 1 0 219.716 0.134 20 30 BCEDRO C=CCOc1ccc(C(=O)NCC[NH3+])cc1 ZINC000005830795 588282525 /nfs/dbraw/zinc/28/25/25/588282525.db2.gz CNTFDLBTIBEQQB-UHFFFAOYSA-N 1 0 220.272 0.940 20 30 BCEDRO C#C[C@H]([NH2+]CC[C@@H]1CCNC1=O)[C@H]1CCCO1 ZINC000846856874 588293843 /nfs/dbraw/zinc/29/38/43/588293843.db2.gz DRGFJUQOFLAQCG-GRYCIOLGSA-N 1 0 236.315 0.283 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@H]1CN(CC)C(=O)O1 ZINC000846880082 588295175 /nfs/dbraw/zinc/29/51/75/588295175.db2.gz SNQUEASAZRAHMN-UWVGGRQHSA-N 1 0 210.277 0.781 20 30 BCEDRO CC[C@@H](CC#N)NCC(=O)NCc1ccccn1 ZINC000846990180 588300710 /nfs/dbraw/zinc/30/07/10/588300710.db2.gz BGMABAJHSNOLDT-NSHDSACASA-N 1 0 246.314 0.980 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000847019430 588301991 /nfs/dbraw/zinc/30/19/91/588301991.db2.gz QFAQXCCZWASRTL-VXGBXAGGSA-N 1 0 209.289 0.672 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000847018484 588302077 /nfs/dbraw/zinc/30/20/77/588302077.db2.gz KJPCTZRLYOYYGT-LLVKDONJSA-N 1 0 244.360 0.223 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@](C)(O)C(C)=O)C1 ZINC000847019429 588302111 /nfs/dbraw/zinc/30/21/11/588302111.db2.gz QFAQXCCZWASRTL-RYUDHWBXSA-N 1 0 209.289 0.672 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCC(=O)N(C)OC)C1 ZINC000847019158 588302291 /nfs/dbraw/zinc/30/22/91/588302291.db2.gz PCBJRQWXSSJLNH-LLVKDONJSA-N 1 0 224.304 0.742 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000847021485 588302741 /nfs/dbraw/zinc/30/27/41/588302741.db2.gz MMAJESGOGOTJBQ-NSHDSACASA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000847022455 588303101 /nfs/dbraw/zinc/30/31/01/588303101.db2.gz UMTVWYCXRSLEJC-RYUDHWBXSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000847023266 588303175 /nfs/dbraw/zinc/30/31/75/588303175.db2.gz ZXINWNFFAJFUPB-MNOVXSKESA-N 1 0 206.289 0.610 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000847029265 588304214 /nfs/dbraw/zinc/30/42/14/588304214.db2.gz MGMJCBXNOODQAH-QWRGUYRKSA-N 1 0 208.305 0.808 20 30 BCEDRO C#C[C@@H]1CCCN(C(=O)NCCC[NH+](C)C)C1 ZINC000847261077 588309915 /nfs/dbraw/zinc/30/99/15/588309915.db2.gz AIEQRVGFQHGQPI-GFCCVEGCSA-N 1 0 237.347 0.993 20 30 BCEDRO C#C[C@@H]1CCCN(C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000847372506 588311661 /nfs/dbraw/zinc/31/16/61/588311661.db2.gz OPKKWLXYWMNFEJ-NWDGAFQWSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@H]1CCCN(C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000847372507 588311727 /nfs/dbraw/zinc/31/17/27/588311727.db2.gz OPKKWLXYWMNFEJ-RYUDHWBXSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CCN(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847411296 588312325 /nfs/dbraw/zinc/31/23/25/588312325.db2.gz AIUWTTZVWBISMA-PHIMTYICSA-N 1 0 223.320 0.601 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847409268 588312493 /nfs/dbraw/zinc/31/24/93/588312493.db2.gz LNORFLHQPKTOQG-TXEJJXNPSA-N 1 0 237.347 0.991 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1nc(C)c[nH]1 ZINC000847571683 588317082 /nfs/dbraw/zinc/31/70/82/588317082.db2.gz FELWMSVKMOIXPF-UHFFFAOYSA-N 1 0 208.265 0.774 20 30 BCEDRO C#C[C@@H]1CCCN(C(=O)C(=C)C[NH+](C)C)C1 ZINC000848280443 588370056 /nfs/dbraw/zinc/37/00/56/588370056.db2.gz YZMDENXGDJASNT-GFCCVEGCSA-N 1 0 220.316 0.976 20 30 BCEDRO C#CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848350912 588372929 /nfs/dbraw/zinc/37/29/29/588372929.db2.gz VOFOGAFEBNHLQZ-GHMZBOCLSA-N 1 0 206.289 0.753 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2nnc3ccccn32)N1 ZINC000848982806 588424364 /nfs/dbraw/zinc/42/43/64/588424364.db2.gz UHGDEBCUFRTSPP-SECBINFHSA-N 1 0 244.302 0.209 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCOC[C@H]2CCCO2)N1 ZINC000848982973 588424417 /nfs/dbraw/zinc/42/44/17/588424417.db2.gz PDTVIAYGPWBECX-GHMZBOCLSA-N 1 0 241.335 0.509 20 30 BCEDRO C[NH+]=C(NCCC(=O)OC(C)C)NC1CC1 ZINC000848983128 588424631 /nfs/dbraw/zinc/42/46/31/588424631.db2.gz HWKPRSPFZNYCSK-UHFFFAOYSA-N 1 0 227.308 0.656 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](CO)Cc1ccco1 ZINC000848984357 588424925 /nfs/dbraw/zinc/42/49/25/588424925.db2.gz PGGDCPLVVFTMDH-JTQLQIEISA-N 1 0 237.303 0.731 20 30 BCEDRO CN(C)C(=[NH+]CCCn1cncn1)N(C)C ZINC000848984860 588425264 /nfs/dbraw/zinc/42/52/64/588425264.db2.gz MHYOOGWJRZCVQI-UHFFFAOYSA-N 1 0 224.312 0.147 20 30 BCEDRO C=CCNC(=[NH2+])NCCNc1ncccc1C#N ZINC000848989619 588426827 /nfs/dbraw/zinc/42/68/27/588426827.db2.gz LALMWCSJXXIHMO-UHFFFAOYSA-N 1 0 244.302 0.665 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCNc2ccc(C#N)cn2)N1 ZINC000848991521 588427338 /nfs/dbraw/zinc/42/73/38/588427338.db2.gz LIEJFCGSGJKHAY-SECBINFHSA-N 1 0 244.302 0.302 20 30 BCEDRO CC(C)C(=O)NCCC[NH+]=C(N(C)C)N(C)C ZINC000848992264 588427364 /nfs/dbraw/zinc/42/73/64/588427364.db2.gz DOJNLHTZPDUPKZ-UHFFFAOYSA-N 1 0 242.367 0.628 20 30 BCEDRO CCCNC(=[NH2+])NCCNc1ccc(C#N)cn1 ZINC000848991555 588427577 /nfs/dbraw/zinc/42/75/77/588427577.db2.gz NXVGIEFDZKLSJV-UHFFFAOYSA-N 1 0 246.318 0.889 20 30 BCEDRO C[NH+]=C(NCC(=O)NC1CCCC1)NC1CC1 ZINC000848999804 588430252 /nfs/dbraw/zinc/43/02/52/588430252.db2.gz RURDACWXFHZNPL-UHFFFAOYSA-N 1 0 238.335 0.373 20 30 BCEDRO CCNC(NC[C@@H](O)COCC1CC1)=[NH+]CC ZINC000849000276 588430462 /nfs/dbraw/zinc/43/04/62/588430462.db2.gz OQTJUOPNVQKCMZ-LLVKDONJSA-N 1 0 243.351 0.349 20 30 BCEDRO Cc1noc(CCCNC2=[NH+]CCCN2C)n1 ZINC000849002285 588431186 /nfs/dbraw/zinc/43/11/86/588431186.db2.gz ZYAMSMITAISLLY-UHFFFAOYSA-N 1 0 237.307 0.592 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCC(=O)NC(C)(C)C ZINC000849003550 588431247 /nfs/dbraw/zinc/43/12/47/588431247.db2.gz RJPVXQZLRYPRJF-UHFFFAOYSA-N 1 0 240.351 0.981 20 30 BCEDRO C[C@@H](C#N)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849003935 588431804 /nfs/dbraw/zinc/43/18/04/588431804.db2.gz OTBSUUHZRVOSRI-DTWKUNHWSA-N 1 0 210.281 0.391 20 30 BCEDRO C[C@@H](C#N)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849003831 588431863 /nfs/dbraw/zinc/43/18/63/588431863.db2.gz JBJVYPGZCJQXCN-IUCAKERBSA-N 1 0 210.281 0.439 20 30 BCEDRO C=CCNC(=[NH2+])NCCOC[C@@H]1CCCO1 ZINC000849005453 588432633 /nfs/dbraw/zinc/43/26/33/588432633.db2.gz UEPMNZUARUYEBN-JTQLQIEISA-N 1 0 227.308 0.482 20 30 BCEDRO CN1CC[NH+]=C1NCCCC(=O)OC(C)(C)C ZINC000849005940 588432704 /nfs/dbraw/zinc/43/27/04/588432704.db2.gz BVRJXXJPJACDCR-UHFFFAOYSA-N 1 0 241.335 0.999 20 30 BCEDRO C[NH+]=C(NCCOC[C@@H]1CCOC1)NC1CC1 ZINC000849006769 588433100 /nfs/dbraw/zinc/43/31/00/588433100.db2.gz QRPDRBVVSQCKKJ-SNVBAGLBSA-N 1 0 241.335 0.367 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC[S@@](=O)C(C)(C)C)N1 ZINC000849008380 588434145 /nfs/dbraw/zinc/43/41/45/588434145.db2.gz DCURIYXQUMKIFG-ANRSDYALSA-N 1 0 231.365 0.471 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCOC[C@@H]2CCOC2)N1 ZINC000849009925 588434409 /nfs/dbraw/zinc/43/44/09/588434409.db2.gz LDGBVFRGJLEBCZ-MNOVXSKESA-N 1 0 241.335 0.367 20 30 BCEDRO C=CCCOCCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000849015071 588436710 /nfs/dbraw/zinc/43/67/10/588436710.db2.gz POPPENUEQZHOES-LLVKDONJSA-N 1 0 241.335 0.824 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1ccn(C)n1 ZINC000849014885 588436733 /nfs/dbraw/zinc/43/67/33/588436733.db2.gz NLLCHHXVOQHBGT-UHFFFAOYSA-N 1 0 207.281 0.610 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])NCC(=C)C ZINC000849016275 588437136 /nfs/dbraw/zinc/43/71/36/588437136.db2.gz YJGDMDJFTXYUQX-JTQLQIEISA-N 1 0 211.309 0.861 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849016243 588437150 /nfs/dbraw/zinc/43/71/50/588437150.db2.gz WQOVFQLWYSUTAW-WDEREUQCSA-N 1 0 241.335 0.416 20 30 BCEDRO N#CCCCNC(=[NH2+])N1CCSCC1 ZINC000849017530 588437796 /nfs/dbraw/zinc/43/77/96/588437796.db2.gz MHKRYYKTMKLZPX-UHFFFAOYSA-N 1 0 212.322 0.863 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCc1ccn(C)n1 ZINC000849019240 588437986 /nfs/dbraw/zinc/43/79/86/588437986.db2.gz VNGNPSOUWICPDN-UHFFFAOYSA-N 1 0 221.308 0.653 20 30 BCEDRO CN(C)C(=[NH+][C@H]1C[C@H](O)C1(C)C)N(C)C ZINC000849020374 588438444 /nfs/dbraw/zinc/43/84/44/588438444.db2.gz BLKPDSQJVUODNH-IUCAKERBSA-N 1 0 213.325 0.625 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1nnnn1CC1CC1 ZINC000849019826 588438571 /nfs/dbraw/zinc/43/85/71/588438571.db2.gz SGKYODALFBIHGI-UHFFFAOYSA-N 1 0 249.322 0.273 20 30 BCEDRO CCNC(NCCN1CCCOCC1)=[NH+]CC ZINC000849021059 588438920 /nfs/dbraw/zinc/43/89/20/588438920.db2.gz JWOJFZPNAFHANV-UHFFFAOYSA-N 1 0 242.367 0.284 20 30 BCEDRO CNC(NC[C@H]1CCCN(C(C)=O)C1)=[NH+]C ZINC000849024565 588439770 /nfs/dbraw/zinc/43/97/70/588439770.db2.gz MUSSDWDYYYKESD-SNVBAGLBSA-N 1 0 226.324 0.040 20 30 BCEDRO CNC(NC[C@@H](CO)CC1CCCC1)=[NH+]C ZINC000849026408 588440551 /nfs/dbraw/zinc/44/05/51/588440551.db2.gz YTBLIQIOURSWLZ-NSHDSACASA-N 1 0 227.352 0.970 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC1(C#N)CC1 ZINC000849026056 588440792 /nfs/dbraw/zinc/44/07/92/588440792.db2.gz QXSNHOSEHAFEAR-QMMMGPOBSA-N 1 0 210.281 0.439 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CCOC[C@H]1C)NC1CC1 ZINC000849027351 588441162 /nfs/dbraw/zinc/44/11/62/588441162.db2.gz SRBAGIDUDOKXEX-ZJUUUORDSA-N 1 0 225.336 0.986 20 30 BCEDRO CC[C@@H](C[NH+]=C(N(C)C)N(C)C)OC ZINC000849029724 588442399 /nfs/dbraw/zinc/44/23/99/588442399.db2.gz JOXLUYSFDYAQQJ-VIFPVBQESA-N 1 0 201.314 0.891 20 30 BCEDRO CCC[C@H](C)C(=O)NCCNC1=[NH+]C[C@H](C)N1 ZINC000849031115 588442582 /nfs/dbraw/zinc/44/25/82/588442582.db2.gz UVGIWLWSVYULRW-UWVGGRQHSA-N 1 0 240.351 0.476 20 30 BCEDRO C[NH+]=C(NC[C@]1(O)CCC[C@@H]1C)NC1CC1 ZINC000849033388 588443768 /nfs/dbraw/zinc/44/37/68/588443768.db2.gz ZLOUVMOPVJSBHW-JOYOIKCWSA-N 1 0 225.336 0.865 20 30 BCEDRO Cc1nccnc1CCNC1=[NH+]CCN1C ZINC000849033580 588444017 /nfs/dbraw/zinc/44/40/17/588444017.db2.gz QSWXIACYJLEGCP-UHFFFAOYSA-N 1 0 219.292 0.219 20 30 BCEDRO C[NH+]=C(NCc1ncccc1OC)NC1CC1 ZINC000849037989 588446515 /nfs/dbraw/zinc/44/65/15/588446515.db2.gz FADZPUNBGRDRQY-UHFFFAOYSA-N 1 0 234.303 0.918 20 30 BCEDRO C[NH+]=C(NC[C@@H](C)CCOC)NC1CC1 ZINC000849041917 588448449 /nfs/dbraw/zinc/44/84/49/588448449.db2.gz PLRIHDPHMFCDMS-VIFPVBQESA-N 1 0 213.325 0.986 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])N2CCC2)nn1 ZINC000849044554 588449077 /nfs/dbraw/zinc/44/90/77/588449077.db2.gz WIUOGSSMKOCJEC-UHFFFAOYSA-N 1 0 220.280 0.194 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCC2(O)CCC2)N1 ZINC000849044090 588449078 /nfs/dbraw/zinc/44/90/78/588449078.db2.gz SWRXWPYVOWYKOC-SECBINFHSA-N 1 0 211.309 0.619 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NCC(=C)C)nn1 ZINC000849044297 588449170 /nfs/dbraw/zinc/44/91/70/588449170.db2.gz FUJIUENBJLEJEQ-UHFFFAOYSA-N 1 0 234.307 0.654 20 30 BCEDRO Cn1cnc(CCCNC2=[NH+]CCCN2C)n1 ZINC000849045424 588449572 /nfs/dbraw/zinc/44/95/72/588449572.db2.gz JDHPMTBPWJGEMP-UHFFFAOYSA-N 1 0 236.323 0.029 20 30 BCEDRO CCO[C@@H]1C[C@@H](NC(NC)=[NH+]C)[C@@H]1SC ZINC000849045561 588449678 /nfs/dbraw/zinc/44/96/78/588449678.db2.gz ALTVQICVGZEYFQ-HLTSFMKQSA-N 1 0 231.365 0.690 20 30 BCEDRO CN(C)C(=[NH+]CCCc1ncn(C)n1)N(C)C ZINC000849046240 588449947 /nfs/dbraw/zinc/44/99/47/588449947.db2.gz YVDQWGHJTARLLI-UHFFFAOYSA-N 1 0 238.339 0.227 20 30 BCEDRO C[NH+]=C(NCC[C@]1(O)CCCOC1)NC1CC1 ZINC000849048580 588451027 /nfs/dbraw/zinc/45/10/27/588451027.db2.gz JCQDAMHMENKSRP-GFCCVEGCSA-N 1 0 241.335 0.245 20 30 BCEDRO C=C[C@@](C)(O)c1cn(CC[NH+](C)C)nn1 ZINC000849136106 588453927 /nfs/dbraw/zinc/45/39/27/588453927.db2.gz AWKLVYTVAIWNOL-SNVBAGLBSA-N 1 0 210.281 0.233 20 30 BCEDRO C=C[C@@](C)(O)c1cn(CCCC[NH3+])nn1 ZINC000849137846 588454368 /nfs/dbraw/zinc/45/43/68/588454368.db2.gz YQTATLXNJSCOEE-SNVBAGLBSA-N 1 0 210.281 0.411 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000849173534 588460239 /nfs/dbraw/zinc/46/02/39/588460239.db2.gz XGHMWKBMNGJLEQ-ZJUUUORDSA-N 1 0 209.293 0.388 20 30 BCEDRO CNC(NCc1ccc(OC)c(C#N)c1)=[NH+]C ZINC000849214740 588461837 /nfs/dbraw/zinc/46/18/37/588461837.db2.gz LHXGFFKWKMVNDX-UHFFFAOYSA-N 1 0 232.287 0.862 20 30 BCEDRO CNC(NCc1nnc(-c2ccncc2)[nH]1)=[NH+]C ZINC000849214736 588461972 /nfs/dbraw/zinc/46/19/72/588461972.db2.gz KGXUXSXXBRWFQJ-UHFFFAOYSA-N 1 0 245.290 0.162 20 30 BCEDRO C=CC[C@@H](CO)CNC1=[NH+]CCCCN1 ZINC000849217740 588462693 /nfs/dbraw/zinc/46/26/93/588462693.db2.gz NJQYZYCKZWYVKO-SNVBAGLBSA-N 1 0 211.309 0.500 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC1=[NH+]CCCCN1 ZINC000849217455 588462720 /nfs/dbraw/zinc/46/27/20/588462720.db2.gz GNRXPEHAVKJNKD-QWRGUYRKSA-N 1 0 223.320 0.907 20 30 BCEDRO C#CCNC(=S)N[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000849273568 588468676 /nfs/dbraw/zinc/46/86/76/588468676.db2.gz JMWRXINNEPLXGA-JTQLQIEISA-N 1 0 239.388 0.957 20 30 BCEDRO C=C(C)CNC(=S)N(C)CC1C[NH+](C)C1 ZINC000849289814 588469938 /nfs/dbraw/zinc/46/99/38/588469938.db2.gz PLNOKTOGWOVOFI-UHFFFAOYSA-N 1 0 227.377 0.930 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CO[C@H](CC)C1 ZINC000850244552 588531451 /nfs/dbraw/zinc/53/14/51/588531451.db2.gz WFWKYFJXRPEPSN-GHMZBOCLSA-N 1 0 247.360 0.744 20 30 BCEDRO C[C@@H](Cn1cncn1)[NH2+]Cc1ccc(C#N)cn1 ZINC000850462063 588548679 /nfs/dbraw/zinc/54/86/79/588548679.db2.gz MKEOJCYTCAGSFG-JTQLQIEISA-N 1 0 242.286 0.723 20 30 BCEDRO C#C[C@H](NC(=O)NCC12CC(C1)C[NH2+]2)C(C)C ZINC000851661100 588613591 /nfs/dbraw/zinc/61/35/91/588613591.db2.gz FEOQQULIZLZSPV-AKJDGMEZSA-N 1 0 235.331 0.695 20 30 BCEDRO C=CCCSCCNC(=O)N[C@@H](C)C[NH3+] ZINC000851663643 588613752 /nfs/dbraw/zinc/61/37/52/588613752.db2.gz FQSOBAAVWOBHEG-VIFPVBQESA-N 1 0 231.365 0.942 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@@H](C)C[NH2+]C ZINC000851679258 588614557 /nfs/dbraw/zinc/61/45/57/588614557.db2.gz BOSYYPWFLRCWCJ-VHSXEESVSA-N 1 0 211.309 0.695 20 30 BCEDRO C#CCOCCN1CC[NH+](C(C)C)CC1 ZINC000851719908 588616768 /nfs/dbraw/zinc/61/67/68/588616768.db2.gz VPPQKQJJRSHHQW-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCOCC[NH+]1CCC(CC(N)=O)CC1 ZINC000851727974 588618335 /nfs/dbraw/zinc/61/83/35/588618335.db2.gz CJMYDUPJDHCLEQ-UHFFFAOYSA-N 1 0 224.304 0.224 20 30 BCEDRO C#CCOCC[N@@H+](CC)C[C@@H]1CCOC1 ZINC000851731105 588619496 /nfs/dbraw/zinc/61/94/96/588619496.db2.gz WWAIEZMPUHYZEC-LBPRGKRZSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CCOCC[N@H+]1CCCC[C@H]1[C@H](C)O ZINC000851762168 588619858 /nfs/dbraw/zinc/61/98/58/588619858.db2.gz LDLHRUWRLAUUNK-RYUDHWBXSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCOCC[N@H+]1CCCN(C(=O)CC)CC1 ZINC000851732955 588619921 /nfs/dbraw/zinc/61/99/21/588619921.db2.gz FASNVASQDJCIIM-UHFFFAOYSA-N 1 0 238.331 0.581 20 30 BCEDRO C#CCOCC[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000851749669 588622921 /nfs/dbraw/zinc/62/29/21/588622921.db2.gz JRQBCSLYTPVFTI-GFCCVEGCSA-N 1 0 239.315 0.721 20 30 BCEDRO C#CCOCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000851751245 588623050 /nfs/dbraw/zinc/62/30/50/588623050.db2.gz LOYHBIXZKVJAIN-NSHDSACASA-N 1 0 224.304 0.366 20 30 BCEDRO C#CCOCCN1CC[NH+](CCOCC)CC1 ZINC000851755096 588624155 /nfs/dbraw/zinc/62/41/55/588624155.db2.gz MSESKHWZVJZOEV-UHFFFAOYSA-N 1 0 240.347 0.290 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H]1C(=O)NC1CC1 ZINC000851769124 588625633 /nfs/dbraw/zinc/62/56/33/588625633.db2.gz FVUGZWAEHVNRNP-LBPRGKRZSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CCOCC[N@@H+](C)C[C@H]1CCC[C@H]1O ZINC000851868201 588633612 /nfs/dbraw/zinc/63/36/12/588633612.db2.gz KJOOBDCTTCAOPF-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[NH2+]C1(C(N)=O)CCCC1 ZINC000851847245 588634615 /nfs/dbraw/zinc/63/46/15/588634615.db2.gz RNJQNZQNCFWBLE-UHFFFAOYSA-N 1 0 210.277 0.024 20 30 BCEDRO C#CCOCCN1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000851878339 588639198 /nfs/dbraw/zinc/63/91/98/588639198.db2.gz BIKOHQQDLIXKPC-RYUDHWBXSA-N 1 0 242.388 0.614 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H](C)N(C)C[C@H]1C ZINC000851887669 588640433 /nfs/dbraw/zinc/64/04/33/588640433.db2.gz SVSLONPFSQRRDM-VXGBXAGGSA-N 1 0 210.321 0.661 20 30 BCEDRO C#CCOCC[NH2+][C@@H](CO)c1ccccc1OC ZINC000851917559 588643266 /nfs/dbraw/zinc/64/32/66/588643266.db2.gz HTETUMGQBWUYEJ-ZDUSSCGKSA-N 1 0 249.310 0.968 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1cn[nH]n1)[C@@H]1CCCO1 ZINC000851949576 588647137 /nfs/dbraw/zinc/64/71/37/588647137.db2.gz GJTWVAYJHPFEPR-MNOVXSKESA-N 1 0 220.276 0.118 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1CCOC[C@@H]1OCC ZINC000851952066 588647681 /nfs/dbraw/zinc/64/76/81/588647681.db2.gz HTXYQKQKDOMXOJ-NEPJUHHUSA-N 1 0 227.304 0.420 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@H](C2CC2)C1 ZINC000851951257 588647684 /nfs/dbraw/zinc/64/76/84/588647684.db2.gz CBWSMIYSNXBIGK-LBPRGKRZSA-N 1 0 209.289 0.747 20 30 BCEDRO C#CCOCC[NH+]1[C@H](C)CC(O)C[C@H]1C ZINC000851966687 588648247 /nfs/dbraw/zinc/64/82/47/588648247.db2.gz QTKKAMQMYOTEQH-GHMZBOCLSA-N 1 0 211.305 0.870 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](OCCOC)C1 ZINC000851965653 588648458 /nfs/dbraw/zinc/64/84/58/588648458.db2.gz SUJFFFSZCOGZDG-LBPRGKRZSA-N 1 0 227.304 0.374 20 30 BCEDRO C#CCOCC[N@@H+](CCO)C1CCOCC1 ZINC000851966802 588648982 /nfs/dbraw/zinc/64/89/82/588648982.db2.gz AOCURLBZTHKBQE-UHFFFAOYSA-N 1 0 227.304 0.110 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@]1(CC)CO ZINC000851972084 588649483 /nfs/dbraw/zinc/64/94/83/588649483.db2.gz VTMIUDFVKFIBMG-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000851983352 588651568 /nfs/dbraw/zinc/65/15/68/588651568.db2.gz GYMVRIIZIIMNAH-WDEREUQCSA-N 1 0 224.304 0.141 20 30 BCEDRO C#C[C@@H](C)N(C)C[C@@H](O)C[N@@H+](C)C(C)C ZINC000851988714 588652344 /nfs/dbraw/zinc/65/23/44/588652344.db2.gz CLZFXPHLRSNAHV-NEPJUHHUSA-N 1 0 212.337 0.641 20 30 BCEDRO C#CCOCC[NH2+][C@H](C(=O)NCC)C(C)C ZINC000852088580 588660798 /nfs/dbraw/zinc/66/07/98/588660798.db2.gz LNXRDWMQPLTMBN-NSHDSACASA-N 1 0 226.320 0.387 20 30 BCEDRO COCC1([NH2+]CCO[C@H](C)C#N)CCOCC1 ZINC000852091466 588661245 /nfs/dbraw/zinc/66/12/45/588661245.db2.gz YJNKSHYRNDQSQW-LLVKDONJSA-N 1 0 242.319 0.700 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NC(=O)NCC=C ZINC000852096475 588661870 /nfs/dbraw/zinc/66/18/70/588661870.db2.gz CEJJSDBTJLEFIU-GFCCVEGCSA-N 1 0 237.303 0.390 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N1CCO[C@H](C)C1 ZINC000852096805 588661984 /nfs/dbraw/zinc/66/19/84/588661984.db2.gz FTZRDKTXFQMPHE-DGCLKSJQSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCNS(=O)(=O)CC ZINC000852098967 588662237 /nfs/dbraw/zinc/66/22/37/588662237.db2.gz AFPUFOKKTHRENL-SNVBAGLBSA-N 1 0 232.349 0.317 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)Nc1nncs1 ZINC000852099532 588662828 /nfs/dbraw/zinc/66/28/28/588662828.db2.gz BHUQYPNQTKSXLR-SNVBAGLBSA-N 1 0 238.316 0.868 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCCC(=O)NC(N)=O ZINC000852099910 588662861 /nfs/dbraw/zinc/66/28/61/588662861.db2.gz RKOGULSCKUNTNO-NSHDSACASA-N 1 0 225.292 0.353 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCCS(=O)(=O)NC ZINC000852102934 588663470 /nfs/dbraw/zinc/66/34/70/588663470.db2.gz TYVJEGBGXRERKW-JTQLQIEISA-N 1 0 232.349 0.317 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCCC[C@H]1C(=O)OC ZINC000852136748 588666068 /nfs/dbraw/zinc/66/60/68/588666068.db2.gz OYUAKRTWINKPNJ-NEPJUHHUSA-N 1 0 239.315 0.958 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000852175793 588669727 /nfs/dbraw/zinc/66/97/27/588669727.db2.gz LGODAKYGQTVOEN-LLVKDONJSA-N 1 0 234.303 0.552 20 30 BCEDRO C#CCOCC[N@@H+]1CCC[C@@H](n2ccnn2)C1 ZINC000852191473 588670933 /nfs/dbraw/zinc/67/09/33/588670933.db2.gz YIHULIIQXGPCKN-GFCCVEGCSA-N 1 0 234.303 0.565 20 30 BCEDRO C#CCOCC[NH2+][C@H](C)C1(OC)CCOCC1 ZINC000852187437 588671066 /nfs/dbraw/zinc/67/10/66/588671066.db2.gz OEKRYGOGHPFCND-GFCCVEGCSA-N 1 0 241.331 0.810 20 30 BCEDRO C#CC1CC[NH+](C[C@@H](COC)OC)CC1 ZINC000852207318 588671558 /nfs/dbraw/zinc/67/15/58/588671558.db2.gz DPGFRUXOKCPQMI-LBPRGKRZSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@H]2CON(CC)C2=O)C1 ZINC000852206497 588671811 /nfs/dbraw/zinc/67/18/11/588671811.db2.gz KWIDNCLIPCYRDJ-RYUDHWBXSA-N 1 0 236.315 0.884 20 30 BCEDRO C#CC1CC[NH+](CCN2C(=O)CN(C)C2=O)CC1 ZINC000852206078 588671902 /nfs/dbraw/zinc/67/19/02/588671902.db2.gz XWSGXPYZULEWAN-UHFFFAOYSA-N 1 0 249.314 0.226 20 30 BCEDRO C#CCOCC[NH+]1CCC([C@H](C)CO)CC1 ZINC000852213143 588672974 /nfs/dbraw/zinc/67/29/74/588672974.db2.gz GNNSIJJXXTVKST-GFCCVEGCSA-N 1 0 225.332 0.977 20 30 BCEDRO C#CC[NH2+][C@@H](C1CC1)C1(CO)CCOCC1 ZINC000852284645 588676051 /nfs/dbraw/zinc/67/60/51/588676051.db2.gz QCOXRPQARILDFG-LBPRGKRZSA-N 1 0 223.316 0.777 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852313717 588678097 /nfs/dbraw/zinc/67/80/97/588678097.db2.gz LXITUFJQDCFFIJ-NEPJUHHUSA-N 1 0 249.318 0.529 20 30 BCEDRO C#CCOCC[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000852345621 588678958 /nfs/dbraw/zinc/67/89/58/588678958.db2.gz GKEKERIMQXBSIM-FRRDWIJNSA-N 1 0 223.316 0.729 20 30 BCEDRO C=CC[N@@H+](CC[S@@](C)=O)[C@H](C)COC ZINC000852356571 588679465 /nfs/dbraw/zinc/67/94/65/588679465.db2.gz INHYZYYDBKIFFN-QMTHXVAHSA-N 1 0 219.350 0.888 20 30 BCEDRO C=CC[N@@H+](CC[S@@](C)=O)[C@@H](C)COC ZINC000852356570 588679652 /nfs/dbraw/zinc/67/96/52/588679652.db2.gz INHYZYYDBKIFFN-IINYFYTJSA-N 1 0 219.350 0.888 20 30 BCEDRO C=CC[N@@H+](CCC(=O)N(C)OC)[C@H](C)COC ZINC000852356442 588679766 /nfs/dbraw/zinc/67/97/66/588679766.db2.gz FDKXCSVRCXPLOG-LLVKDONJSA-N 1 0 244.335 0.919 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852432555 588682296 /nfs/dbraw/zinc/68/22/96/588682296.db2.gz KBPGDJXCOQNEDL-JTQLQIEISA-N 1 0 208.261 0.536 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852438735 588682335 /nfs/dbraw/zinc/68/23/35/588682335.db2.gz WOEWYTZOSBATOH-NSHDSACASA-N 1 0 222.288 0.926 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852435710 588682338 /nfs/dbraw/zinc/68/23/38/588682338.db2.gz AHBZDAYQYHEBBX-MNOVXSKESA-N 1 0 240.303 0.450 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852442861 588682495 /nfs/dbraw/zinc/68/24/95/588682495.db2.gz MQZNBZYXWPYPNS-LLVKDONJSA-N 1 0 240.303 0.716 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000852581275 588691830 /nfs/dbraw/zinc/69/18/30/588691830.db2.gz JXCZAYVCDOJTET-MNOVXSKESA-N 1 0 209.289 0.529 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000852583560 588691880 /nfs/dbraw/zinc/69/18/80/588691880.db2.gz YBWZBRKXEZEZNR-WDEREUQCSA-N 1 0 236.315 0.019 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000852583558 588691992 /nfs/dbraw/zinc/69/19/92/588691992.db2.gz YBWZBRKXEZEZNR-MNOVXSKESA-N 1 0 236.315 0.019 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000852591339 588692393 /nfs/dbraw/zinc/69/23/93/588692393.db2.gz MIEAAKIBSREFTQ-GRYCIOLGSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000852654293 588694060 /nfs/dbraw/zinc/69/40/60/588694060.db2.gz HRNKZJYAVMRHID-JTQLQIEISA-N 1 0 209.293 0.307 20 30 BCEDRO C[C@@]1(C#N)CCN(C[C@H]2CCC(=O)O2)C1 ZINC000852686108 588694245 /nfs/dbraw/zinc/69/42/45/588694245.db2.gz FYFPFRAUKGPFTR-KOLCDFICSA-N 1 0 208.261 0.928 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000852664643 588694629 /nfs/dbraw/zinc/69/46/29/588694629.db2.gz JZEIUUWQBYGVRW-NWDGAFQWSA-N 1 0 209.289 0.605 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCS(N)(=O)=O ZINC000852686170 588695838 /nfs/dbraw/zinc/69/58/38/588695838.db2.gz PJQQRWMFGYNMFW-AOOOYVTPSA-N 1 0 230.333 0.458 20 30 BCEDRO C#CCOCCN1CCc2nccnc2C1 ZINC000852698566 588696824 /nfs/dbraw/zinc/69/68/24/588696824.db2.gz UZRRTHPFVUZOMR-UHFFFAOYSA-N 1 0 217.272 0.485 20 30 BCEDRO C#CCC[N@@H+](CCCC(=O)N(C)C)CCOC ZINC000852748487 588699438 /nfs/dbraw/zinc/69/94/38/588699438.db2.gz AWCAVBUAWYZQFA-UHFFFAOYSA-N 1 0 240.347 0.827 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCc1cn[nH]c1 ZINC000852748849 588699740 /nfs/dbraw/zinc/69/97/40/588699740.db2.gz ISQMAPIPVDEFMG-UHFFFAOYSA-N 1 0 221.304 0.924 20 30 BCEDRO C#CCC[N@@H+](CCOC)CC[S@@](C)=O ZINC000852750520 588699942 /nfs/dbraw/zinc/69/99/42/588699942.db2.gz XMNROTVBYVNKMT-CQSZACIVSA-N 1 0 217.334 0.337 20 30 BCEDRO COc1cc(C(=O)N(C)[C@H](C)C[NH3+])ccc1C#N ZINC000852796333 588703379 /nfs/dbraw/zinc/70/33/79/588703379.db2.gz CENYBNGSGNYYTG-SECBINFHSA-N 1 0 247.298 0.986 20 30 BCEDRO C[NH2+]CCNC(=O)c1ccc(C#N)c(OC)c1 ZINC000852796365 588703411 /nfs/dbraw/zinc/70/34/11/588703411.db2.gz PIXUAYHSVVOTHL-UHFFFAOYSA-N 1 0 233.271 0.516 20 30 BCEDRO Cn1cc(NC(=O)C#CC2CC[NH2+]CC2)cn1 ZINC000852814999 588705234 /nfs/dbraw/zinc/70/52/34/588705234.db2.gz UBHQYJBGRJNBBV-UHFFFAOYSA-N 1 0 232.287 0.362 20 30 BCEDRO C[C@H]1C[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852812677 588705237 /nfs/dbraw/zinc/70/52/37/588705237.db2.gz DQIOGAUAJGAPEX-CMPLNLGQSA-N 1 0 220.316 0.762 20 30 BCEDRO CC1(C)CC[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852828525 588706199 /nfs/dbraw/zinc/70/61/99/588706199.db2.gz YJAUEGXOYVNQHP-AEJSXWLSSA-N 1 0 221.304 0.650 20 30 BCEDRO Cc1ccoc1CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852827314 588706327 /nfs/dbraw/zinc/70/63/27/588706327.db2.gz GJRCKQJIKKWAKK-ZJUUUORDSA-N 1 0 233.271 0.358 20 30 BCEDRO Cc1ccoc1CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852827311 588706370 /nfs/dbraw/zinc/70/63/70/588706370.db2.gz GJRCKQJIKKWAKK-NXEZZACHSA-N 1 0 233.271 0.358 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(CF)cc1 ZINC000852827266 588706391 /nfs/dbraw/zinc/70/63/91/588706391.db2.gz FIGNVXDZMJLCOR-VXGBXAGGSA-N 1 0 247.273 0.997 20 30 BCEDRO Cc1ccncc1CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852828249 588706436 /nfs/dbraw/zinc/70/64/36/588706436.db2.gz WIBOBFDXGGQSMD-RYUDHWBXSA-N 1 0 244.298 0.160 20 30 BCEDRO CCC[C@@H](O)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852839011 588707205 /nfs/dbraw/zinc/70/72/05/588707205.db2.gz UQRCNCTYBJQIJW-GFCCVEGCSA-N 1 0 238.331 0.267 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000852841797 588707414 /nfs/dbraw/zinc/70/74/14/588707414.db2.gz QEIRWQQTMMXNJK-HTQZYQBOSA-N 1 0 218.684 0.219 20 30 BCEDRO CC1CC(NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852841964 588707473 /nfs/dbraw/zinc/70/74/73/588707473.db2.gz SJSJWTQJSVITOX-UHFFFAOYSA-N 1 0 220.316 0.904 20 30 BCEDRO C=CCCCN(C)C(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852843733 588707677 /nfs/dbraw/zinc/70/76/77/588707677.db2.gz GDUPFVPHNYWJPU-SECBINFHSA-N 1 0 225.292 0.515 20 30 BCEDRO C[C@]1(NC(=O)C#CC2CC[NH2+]CC2)CCOC1 ZINC000852876237 588710091 /nfs/dbraw/zinc/71/00/91/588710091.db2.gz GIAGSGHCGBHEHN-ZDUSSCGKSA-N 1 0 236.315 0.285 20 30 BCEDRO C=CCOCCNC(=O)CO[C@H]1CCC[NH2+]C1 ZINC000852915482 588713008 /nfs/dbraw/zinc/71/30/08/588713008.db2.gz HCHCGNZKQJRPQC-NSHDSACASA-N 1 0 242.319 0.074 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000852916375 588713112 /nfs/dbraw/zinc/71/31/12/588713112.db2.gz HDKZRRBDNSTCND-QWRGUYRKSA-N 1 0 225.267 0.450 20 30 BCEDRO C=CCCOCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861615776 589170166 /nfs/dbraw/zinc/17/01/66/589170166.db2.gz WTVHTAIELPSVLU-JTQLQIEISA-N 1 0 229.324 0.568 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861616574 589170187 /nfs/dbraw/zinc/17/01/87/589170187.db2.gz FGNZIQHPARMHMO-GHMZBOCLSA-N 1 0 239.319 0.076 20 30 BCEDRO C=C(C)COCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861611946 589170401 /nfs/dbraw/zinc/17/04/01/589170401.db2.gz GJPDKVDAWFFBPM-SNVBAGLBSA-N 1 0 229.324 0.568 20 30 BCEDRO C#C[C@@H](NC(=O)N(CC)CC[NH3+])[C@H]1CCCO1 ZINC000861619379 589170612 /nfs/dbraw/zinc/17/06/12/589170612.db2.gz ZFBKCTSJKYHSBU-GHMZBOCLSA-N 1 0 239.319 0.157 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861624640 589170940 /nfs/dbraw/zinc/17/09/40/589170940.db2.gz VPLWYTKISITEBJ-MNOVXSKESA-N 1 0 223.320 0.840 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861636887 589171699 /nfs/dbraw/zinc/17/16/99/589171699.db2.gz ZHJTYNUDNKQLOK-AXFHLTTASA-N 1 0 241.335 0.709 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861636585 589171718 /nfs/dbraw/zinc/17/17/18/589171718.db2.gz RFJOURHYIXSTHP-SECBINFHSA-N 1 0 225.292 0.688 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861682675 589172816 /nfs/dbraw/zinc/17/28/16/589172816.db2.gz UJQBNKFMUIPHHJ-QMMMGPOBSA-N 1 0 233.699 0.027 20 30 BCEDRO C=CCOCCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861650412 589173294 /nfs/dbraw/zinc/17/32/94/589173294.db2.gz XFLCUQUJZVQGQP-SNVBAGLBSA-N 1 0 229.324 0.568 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861658914 589173579 /nfs/dbraw/zinc/17/35/79/589173579.db2.gz RKIAJBZGXPGPOE-UWVGGRQHSA-N 1 0 221.304 0.592 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCC1([NH3+])CCOCC1 ZINC000861668745 589173906 /nfs/dbraw/zinc/17/39/06/589173906.db2.gz XTNVACRKWSMASB-SNVBAGLBSA-N 1 0 239.319 0.157 20 30 BCEDRO C=CCN(C(=O)NCCOCC[NH2+]C)C(C)C ZINC000861677466 589173908 /nfs/dbraw/zinc/17/39/08/589173908.db2.gz QXMOAYIXEJEEQP-UHFFFAOYSA-N 1 0 243.351 0.828 20 30 BCEDRO C=C(Cl)CNC(=O)NCC1([NH3+])CCOCC1 ZINC000861669457 589174005 /nfs/dbraw/zinc/17/40/05/589174005.db2.gz SUQOEPWNZVGDNJ-UHFFFAOYSA-N 1 0 247.726 0.546 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861673405 589174125 /nfs/dbraw/zinc/17/41/25/589174125.db2.gz MMGNERPTCOAQGQ-LPEHRKFASA-N 1 0 209.293 0.448 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861689714 589174316 /nfs/dbraw/zinc/17/43/16/589174316.db2.gz HPFXJTNKURXPSO-NXEZZACHSA-N 1 0 209.293 0.402 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861686293 589174439 /nfs/dbraw/zinc/17/44/39/589174439.db2.gz NJTWKEGADKSONK-CHWSQXEVSA-N 1 0 247.342 0.795 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861686255 589174568 /nfs/dbraw/zinc/17/45/68/589174568.db2.gz XDIJTTBEFJEQHD-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861686257 589174576 /nfs/dbraw/zinc/17/45/76/589174576.db2.gz XDIJTTBEFJEQHD-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO CCCCCCCNC(=O)C(=O)NC1C[NH2+]C1 ZINC000861777470 589177580 /nfs/dbraw/zinc/17/75/80/589177580.db2.gz TVAWTESPIZROTP-UHFFFAOYSA-N 1 0 241.335 0.161 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](Cc2cn(C)nn2)C1 ZINC000862445195 589214652 /nfs/dbraw/zinc/21/46/52/589214652.db2.gz NYARVEICLWNWDF-SNVBAGLBSA-N 1 0 204.277 0.660 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@H](C)Cn1cccn1 ZINC000862548232 589220223 /nfs/dbraw/zinc/22/02/23/589220223.db2.gz APQSUKGRAIEANG-NEPJUHHUSA-N 1 0 221.304 0.900 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H](C)Cn1cccn1 ZINC000862548235 589220232 /nfs/dbraw/zinc/22/02/32/589220232.db2.gz APQSUKGRAIEANG-VXGBXAGGSA-N 1 0 221.304 0.900 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2C[C@@H]3C[C@@H]3C2)CC1 ZINC000862553986 589221328 /nfs/dbraw/zinc/22/13/28/589221328.db2.gz VHMRDURDNZLBJJ-BETUJISGSA-N 1 0 232.327 0.810 20 30 BCEDRO C#CC[C@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000862566161 589222885 /nfs/dbraw/zinc/22/28/85/589222885.db2.gz JAMBRPGHPNYDQQ-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1COC ZINC000862963273 589249005 /nfs/dbraw/zinc/24/90/05/589249005.db2.gz GKDBAGCRLKPKIV-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccns1 ZINC000863119645 589260295 /nfs/dbraw/zinc/26/02/95/589260295.db2.gz HCFMJQALZJILIQ-UHFFFAOYSA-N 1 0 209.278 0.416 20 30 BCEDRO CN(C)c1ccncc1C=[NH+]NCC(C)(C)O ZINC000863138725 589262669 /nfs/dbraw/zinc/26/26/69/589262669.db2.gz RGLUZWSOLZIPPN-UHFFFAOYSA-N 1 0 236.319 0.842 20 30 BCEDRO CC(=NNc1cc[nH+]c(C)c1)c1cnnn1C ZINC000863159441 589264187 /nfs/dbraw/zinc/26/41/87/589264187.db2.gz RCHXHTYYXSBKGL-UHFFFAOYSA-N 1 0 230.275 0.777 20 30 BCEDRO C[C@H]1CC(=Nn2ccc(=O)[nH]c2=O)CC[N@@H+]1C ZINC000863184010 589269512 /nfs/dbraw/zinc/26/95/12/589269512.db2.gz GMGYBFWZPHPWLE-QMMMGPOBSA-N 1 0 236.275 0.267 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@@H]1CCCOC1 ZINC000863561520 589298864 /nfs/dbraw/zinc/29/88/64/589298864.db2.gz CZDFKNZSLMDRBY-LBPRGKRZSA-N 1 0 238.331 0.532 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863559772 589298968 /nfs/dbraw/zinc/29/89/68/589298968.db2.gz UUVUODPDJCJEIP-WDEREUQCSA-N 1 0 222.288 0.015 20 30 BCEDRO Cn1nccc1CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863555928 589299166 /nfs/dbraw/zinc/29/91/66/589299166.db2.gz YKAUXDUQLUAMPB-LBPRGKRZSA-N 1 0 248.330 0.607 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)CCC(C)C ZINC000863574685 589301219 /nfs/dbraw/zinc/30/12/19/589301219.db2.gz DXVFLWDBKCVNHU-LBPRGKRZSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]CCC(=O)N(C)OC ZINC000863589596 589302580 /nfs/dbraw/zinc/30/25/80/589302580.db2.gz SCDULMZCQGVRKD-NSHDSACASA-N 1 0 242.319 0.414 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)CCOCC ZINC000863589355 589302582 /nfs/dbraw/zinc/30/25/82/589302582.db2.gz NCACHTAASBIKSF-VXGBXAGGSA-N 1 0 229.320 0.402 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](O)C(F)(F)F ZINC000863588976 589302595 /nfs/dbraw/zinc/30/25/95/589302595.db2.gz IQVOPPPIKALIBO-RKDXNWHRSA-N 1 0 239.237 0.928 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863589570 589302823 /nfs/dbraw/zinc/30/28/23/589302823.db2.gz RLGSZTBVRIUWDL-NEPJUHHUSA-N 1 0 236.315 0.669 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863589571 589302912 /nfs/dbraw/zinc/30/29/12/589302912.db2.gz RLGSZTBVRIUWDL-NWDGAFQWSA-N 1 0 236.315 0.669 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000863781267 589317298 /nfs/dbraw/zinc/31/72/98/589317298.db2.gz KCGPFNCUXVWAHA-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)C[NH+](C)C ZINC000863788657 589318205 /nfs/dbraw/zinc/31/82/05/589318205.db2.gz RNFPSSJUBKLQNQ-JTQLQIEISA-N 1 0 212.293 0.093 20 30 BCEDRO C#CC[C@H](COC)NC(=O)[C@H](CC)[NH+](C)C ZINC000863800326 589318555 /nfs/dbraw/zinc/31/85/55/589318555.db2.gz CKALOWGMRASUMP-MNOVXSKESA-N 1 0 226.320 0.481 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C[N@H+](C)C1CCC1 ZINC000863910158 589325600 /nfs/dbraw/zinc/32/56/00/589325600.db2.gz MPXWMQHVLZTKJY-JTQLQIEISA-N 1 0 208.305 0.951 20 30 BCEDRO CCNC(NCC(=O)N(CC)OCC)=[NH+]CC ZINC000864356109 589355279 /nfs/dbraw/zinc/35/52/79/589355279.db2.gz NAXVDQMFYMTJCX-UHFFFAOYSA-N 1 0 244.339 0.361 20 30 BCEDRO CNC(NCCc1cn(C)c2ncccc12)=[NH+]C ZINC000864357953 589355585 /nfs/dbraw/zinc/35/55/85/589355585.db2.gz BIBCCVQJMMTETG-UHFFFAOYSA-N 1 0 245.330 0.911 20 30 BCEDRO CNC(NC[C@@H]1CC2(CO1)CCOCC2)=[NH+]C ZINC000864358272 589355727 /nfs/dbraw/zinc/35/57/27/589355727.db2.gz RHDGJDQMZSTVSJ-JTQLQIEISA-N 1 0 241.335 0.367 20 30 BCEDRO CNC(NC[C@H]1CC(=O)c2ccccc2O1)=[NH+]C ZINC000864358076 589355733 /nfs/dbraw/zinc/35/57/33/589355733.db2.gz HFUGURSQLMVLSU-SECBINFHSA-N 1 0 247.298 0.815 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)c2coc(C#N)c2)CC1 ZINC000864441785 589363209 /nfs/dbraw/zinc/36/32/09/589363209.db2.gz BWOGNXSNQIKCQY-UHFFFAOYSA-N 1 0 233.271 0.929 20 30 BCEDRO C#CCSCCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864461120 589368681 /nfs/dbraw/zinc/36/86/81/589368681.db2.gz MHBLXTYHFLPNSH-BDAKNGLRSA-N 1 0 211.334 0.875 20 30 BCEDRO C#CCOCCNC(=[NH2+])NC(CC)CC ZINC000864463484 589370083 /nfs/dbraw/zinc/37/00/83/589370083.db2.gz WYDWDVPSSOOYTR-UHFFFAOYSA-N 1 0 211.309 0.939 20 30 BCEDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000864464249 589370638 /nfs/dbraw/zinc/37/06/38/589370638.db2.gz UJGSSENMVHAWIP-LDYMZIIASA-N 1 0 229.287 0.976 20 30 BCEDRO CCCC(N)=[NH+]OCCC1OCCO1 ZINC000120229543 589391950 /nfs/dbraw/zinc/39/19/50/589391950.db2.gz KFHQDPFBFBLKDY-UHFFFAOYSA-N 1 0 202.254 0.838 20 30 BCEDRO C[C@@H](CNC(=O)[C@]1(C#N)CCCOC1)[NH+](C)C ZINC000864829252 589397143 /nfs/dbraw/zinc/39/71/43/589397143.db2.gz YGQWPFVGGWFNGF-JQWIXIFHSA-N 1 0 239.319 0.373 20 30 BCEDRO C#CCCN1CCN(C(=O)CCCCO)CC1 ZINC000865084808 589408211 /nfs/dbraw/zinc/40/82/11/589408211.db2.gz HJFLEFRQKOPNPG-UHFFFAOYSA-N 1 0 238.331 0.317 20 30 BCEDRO C#CCNC(=O)NCC[C@H]([NH3+])Cc1ccccc1 ZINC000865343754 589422794 /nfs/dbraw/zinc/42/27/94/589422794.db2.gz SJQDDORDPSRZGK-ZDUSSCGKSA-N 1 0 245.326 0.879 20 30 BCEDRO C=CCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000865344496 589423337 /nfs/dbraw/zinc/42/33/37/589423337.db2.gz LOTACAXLKCQKBG-UWVGGRQHSA-N 1 0 209.293 0.708 20 30 BCEDRO C#CCCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000865477835 589439841 /nfs/dbraw/zinc/43/98/41/589439841.db2.gz KXLDWJBSUSMWEU-GFCCVEGCSA-N 1 0 248.330 0.818 20 30 BCEDRO C=CCN(CC(=O)OCC)C[C@@H](C)CO ZINC000120721518 589461478 /nfs/dbraw/zinc/46/14/78/589461478.db2.gz XNJMZVYABCZCPK-SNVBAGLBSA-N 1 0 215.293 0.666 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3ccnc(C#N)n3)CC[C@@H]21 ZINC000866209679 589480440 /nfs/dbraw/zinc/48/04/40/589480440.db2.gz UYUNZYTYGJKKAQ-MNOVXSKESA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3cc(C#N)ncn3)CC[C@H]21 ZINC000866210173 589480536 /nfs/dbraw/zinc/48/05/36/589480536.db2.gz YZIDMFHDFICOPH-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO Cn1ncc(C#N)c1N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866208754 589480569 /nfs/dbraw/zinc/48/05/69/589480569.db2.gz ODINMFKUCAHXRL-JQWIXIFHSA-N 1 0 245.330 0.822 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3ccnc(C#N)n3)CC[C@H]21 ZINC000866209678 589480702 /nfs/dbraw/zinc/48/07/02/589480702.db2.gz UYUNZYTYGJKKAQ-GHMZBOCLSA-N 1 0 243.314 0.879 20 30 BCEDRO C#CCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000866413913 589491079 /nfs/dbraw/zinc/49/10/79/589491079.db2.gz XZFRDWABWMHATM-UHFFFAOYSA-N 1 0 230.333 0.025 20 30 BCEDRO C#CCOCCC(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000121675519 589524655 /nfs/dbraw/zinc/52/46/55/589524655.db2.gz VFFICVCAHREFBE-NSHDSACASA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCN(C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000867727988 589532775 /nfs/dbraw/zinc/53/27/75/589532775.db2.gz UDEMDKMCSZCARQ-WDEREUQCSA-N 1 0 208.305 0.808 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@@H](O)c1cnc[nH]1 ZINC000867755187 589532915 /nfs/dbraw/zinc/53/29/15/589532915.db2.gz FJWCFSMZILACPZ-JTQLQIEISA-N 1 0 239.275 0.104 20 30 BCEDRO N#Cc1cc(C(=O)N[C@H](C[NH3+])C2CC2)co1 ZINC000867960745 589541460 /nfs/dbraw/zinc/54/14/60/589541460.db2.gz OYYYPBQUNHCCRL-SNVBAGLBSA-N 1 0 219.244 0.618 20 30 BCEDRO CN(C(=O)c1coc(C#N)c1)[C@@H]1CC[NH2+]C1 ZINC000867964453 589541639 /nfs/dbraw/zinc/54/16/39/589541639.db2.gz YWFYMBUZTYKOIC-SECBINFHSA-N 1 0 219.244 0.585 20 30 BCEDRO C[C@H]1CN(C(=O)c2coc(C#N)c2)C[C@H](C)[NH2+]1 ZINC000867967055 589541642 /nfs/dbraw/zinc/54/16/42/589541642.db2.gz YRFHCDYERWAHCN-IUCAKERBSA-N 1 0 233.271 0.974 20 30 BCEDRO N#Cc1cc(C(=O)NCC2C[NH2+]C2)co1 ZINC000867968957 589541974 /nfs/dbraw/zinc/54/19/74/589541974.db2.gz ISXMZNKNROYYKH-UHFFFAOYSA-N 1 0 205.217 0.100 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000868010764 589544220 /nfs/dbraw/zinc/54/42/20/589544220.db2.gz OBSBGZLUXKBGLE-JTQLQIEISA-N 1 0 226.320 0.693 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868515334 589562004 /nfs/dbraw/zinc/56/20/04/589562004.db2.gz XMUOEPHMTSEKHO-SDDRHHMPSA-N 1 0 235.331 0.744 20 30 BCEDRO C#C[C@H](CC)NC(=O)N(C)Cc1ncc[nH]1 ZINC000868538141 589563205 /nfs/dbraw/zinc/56/32/05/589563205.db2.gz OJDQMFORXXXFNB-SECBINFHSA-N 1 0 220.276 0.963 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC(C)=O)C(C)C ZINC000868597404 589566008 /nfs/dbraw/zinc/56/60/08/589566008.db2.gz IRHUAOIQQWMMQB-UHFFFAOYSA-N 1 0 226.320 0.930 20 30 BCEDRO C#CCO[C@H](C)C(=O)O[C@H](CC)C[NH+](C)C ZINC000870547751 589673114 /nfs/dbraw/zinc/67/31/14/589673114.db2.gz JVXUHWJBXPNMGL-GHMZBOCLSA-N 1 0 227.304 0.908 20 30 BCEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)c1coc(C#N)c1 ZINC000870913444 589696686 /nfs/dbraw/zinc/69/66/86/589696686.db2.gz VACXPDJVPAAYDC-DTWKUNHWSA-N 1 0 233.271 0.974 20 30 BCEDRO C[C@H]1CN(C(=O)c2coc(C#N)c2)CC[C@H]1[NH3+] ZINC000870937260 589698709 /nfs/dbraw/zinc/69/87/09/589698709.db2.gz YICNRJRHPMDZKG-GZMMTYOYSA-N 1 0 233.271 0.961 20 30 BCEDRO C[C@H](C[NH3+])N(C)C(=O)c1coc(C#N)c1 ZINC000870937148 589698944 /nfs/dbraw/zinc/69/89/44/589698944.db2.gz VEXFAJFBIHRKAU-SSDOTTSWSA-N 1 0 207.233 0.570 20 30 BCEDRO N#Cc1cc(C(=O)NC[C@H]([NH3+])C2CC2)co1 ZINC000870939389 589699191 /nfs/dbraw/zinc/69/91/91/589699191.db2.gz RPOBRISHDAVSTP-JTQLQIEISA-N 1 0 219.244 0.618 20 30 BCEDRO Cc1cc(F)ncc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000870940885 589699742 /nfs/dbraw/zinc/69/97/42/589699742.db2.gz NOILUOYZWVZBPI-WCBMZHEXSA-N 1 0 248.261 0.371 20 30 BCEDRO C=CCCn1cc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)nn1 ZINC000870971784 589703756 /nfs/dbraw/zinc/70/37/56/589703756.db2.gz JJLCUMZCXSXFTI-MGCOHNPYSA-N 1 0 249.318 0.321 20 30 BCEDRO CC[C@H]([NH3+])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000871012670 589711106 /nfs/dbraw/zinc/71/11/06/589711106.db2.gz ZZUGWHVHRREGTB-STQMWFEESA-N 1 0 243.310 0.879 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871158365 589741510 /nfs/dbraw/zinc/74/15/10/589741510.db2.gz ZMZQJYAOCVMTRA-JTQLQIEISA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CCC(C)([NH+](C)C)CC1 ZINC000871361112 589756545 /nfs/dbraw/zinc/75/65/45/589756545.db2.gz RZNURFADVPTRLF-QWKFWESOSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C(Cl)CNC(=[NH2+])N(C)CCOC ZINC000871605305 589775140 /nfs/dbraw/zinc/77/51/40/589775140.db2.gz MRUHFUMLKSFBIH-UHFFFAOYSA-N 1 0 205.689 0.841 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])N(C)CCOC ZINC000871608127 589775854 /nfs/dbraw/zinc/77/58/54/589775854.db2.gz LRNQTVPTBVZCMB-QWRGUYRKSA-N 1 0 241.335 0.680 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000871926974 589832717 /nfs/dbraw/zinc/83/27/17/589832717.db2.gz LXAAXBDOROKFIP-ZJUUUORDSA-N 1 0 234.303 0.209 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1C[C@@H](C)O ZINC000123895893 589849499 /nfs/dbraw/zinc/84/94/99/589849499.db2.gz KXLVXAKHSMBTGN-VXGBXAGGSA-N 1 0 238.331 0.361 20 30 BCEDRO CC(C)(O)C[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000872207265 589892702 /nfs/dbraw/zinc/89/27/02/589892702.db2.gz RAYMNSXETPJHSS-SECBINFHSA-N 1 0 212.293 0.402 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872209232 589893557 /nfs/dbraw/zinc/89/35/57/589893557.db2.gz NCCFGFGZOUPAMT-TUAOUCFPSA-N 1 0 243.347 0.832 20 30 BCEDRO CC(C)(O)C[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000872210322 589893840 /nfs/dbraw/zinc/89/38/40/589893840.db2.gz VXXIRSLTXUOOLJ-AXFHLTTASA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872216130 589895026 /nfs/dbraw/zinc/89/50/26/589895026.db2.gz MIBUAYWXRTWXMV-VXGBXAGGSA-N 1 0 243.347 0.526 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC(C)(C)OC ZINC000872226751 589897486 /nfs/dbraw/zinc/89/74/86/589897486.db2.gz UUBKJEHUTCKZNF-UHFFFAOYSA-N 1 0 226.320 0.531 20 30 BCEDRO C#C[C@H]1CC[C@H]([NH2+]C[C@@H](O)COC)CC1 ZINC000872250520 589900752 /nfs/dbraw/zinc/90/07/52/589900752.db2.gz IVVCVOGYTMBMDV-IJLUTSLNSA-N 1 0 211.305 0.775 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)[C@]12CCC[C@H]1OCC2 ZINC000872288010 589906435 /nfs/dbraw/zinc/90/64/35/589906435.db2.gz RVCSKMPSOILKGM-KQXIARHKSA-N 1 0 249.314 0.173 20 30 BCEDRO C=CC[N@@H+]1CCNC(=O)CC12CCOCC2 ZINC000872289573 589906528 /nfs/dbraw/zinc/90/65/28/589906528.db2.gz NNBGUFICLHIZRS-UHFFFAOYSA-N 1 0 224.304 0.544 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872311241 589909132 /nfs/dbraw/zinc/90/91/32/589909132.db2.gz FSGPGRLWSNDDCQ-PWSUYJOCSA-N 1 0 224.304 0.590 20 30 BCEDRO NC(=[NH2+])NN=Cc1cc2c([nH]1)CCCC2 ZINC000872341205 589914404 /nfs/dbraw/zinc/91/44/04/589914404.db2.gz HRBHAFGSXYVEDU-UHFFFAOYSA-N 1 0 205.265 0.710 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]N[C@@H](C)CO ZINC000872355063 589916906 /nfs/dbraw/zinc/91/69/06/589916906.db2.gz DBJHFIVNXGVFPV-QMMMGPOBSA-N 1 0 208.265 0.277 20 30 BCEDRO Cc1cc(N=NC2C[NH+]3CCC2CC3)nc(N)n1 ZINC000872420142 589937515 /nfs/dbraw/zinc/93/75/15/589937515.db2.gz KWPRXLPXMGXDOQ-UHFFFAOYSA-N 1 0 246.318 0.861 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@H]1CCNC(=O)CC1 ZINC000873129287 589985610 /nfs/dbraw/zinc/98/56/10/589985610.db2.gz KFMDMVCAFAKGMS-MNOVXSKESA-N 1 0 226.320 0.572 20 30 BCEDRO C[NH+](C)CC1(C(=O)N[C@H](C#N)C2CC2)CC1 ZINC000874447715 590111314 /nfs/dbraw/zinc/11/13/14/590111314.db2.gz HHMGTQDWCCWOHC-SNVBAGLBSA-N 1 0 221.304 0.747 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)NCC[NH+](C)C ZINC000875918242 590176915 /nfs/dbraw/zinc/17/69/15/590176915.db2.gz NQPAZCZLZHGJFR-NSHDSACASA-N 1 0 241.335 0.276 20 30 BCEDRO [NH3+]C[C@@H]1CCCCN1C(=O)C#CC1CC1 ZINC000876514347 590205996 /nfs/dbraw/zinc/20/59/96/590205996.db2.gz DEILYCJHNPXFLV-NSHDSACASA-N 1 0 206.289 0.740 20 30 BCEDRO O=C(C#CC1CC1)NC[C@@H]1CCCC[NH2+]1 ZINC000876513183 590206191 /nfs/dbraw/zinc/20/61/91/590206191.db2.gz AZAWBSQUAYUYFS-NSHDSACASA-N 1 0 206.289 0.658 20 30 BCEDRO O=C(C#CC1CC1)NCC[C@H]1CC[NH2+]C1 ZINC000876525217 590208401 /nfs/dbraw/zinc/20/84/01/590208401.db2.gz GAMSYWPFTPGLCU-LLVKDONJSA-N 1 0 206.289 0.516 20 30 BCEDRO C[C@@H]1CCCN(C(=O)C#CC2CC2)[C@H]1C[NH3+] ZINC000876534620 590210714 /nfs/dbraw/zinc/21/07/14/590210714.db2.gz SMNSWQUULPBLOB-PWSUYJOCSA-N 1 0 220.316 0.986 20 30 BCEDRO C[C@H]1CCCN(C(=O)C#CC2CC2)[C@H]1C[NH3+] ZINC000876534618 590210932 /nfs/dbraw/zinc/21/09/32/590210932.db2.gz SMNSWQUULPBLOB-JQWIXIFHSA-N 1 0 220.316 0.986 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)COC ZINC000876549822 590214395 /nfs/dbraw/zinc/21/43/95/590214395.db2.gz KBDUJIAJZAGJOI-YUMQZZPRSA-N 1 0 220.700 0.607 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)NC(C)C ZINC000876563344 590216648 /nfs/dbraw/zinc/21/66/48/590216648.db2.gz DMXYVFRCEHNOMX-QMMMGPOBSA-N 1 0 247.726 0.097 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1ccnn1C ZINC000876578949 590218207 /nfs/dbraw/zinc/21/82/07/590218207.db2.gz IKJXBECEUJQFBF-SSDOTTSWSA-N 1 0 228.683 0.829 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC)COC ZINC000876577774 590218351 /nfs/dbraw/zinc/21/83/51/590218351.db2.gz NYTQWSKMHJTOOW-DTWKUNHWSA-N 1 0 234.727 0.998 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCC(=O)NC ZINC000876603910 590221372 /nfs/dbraw/zinc/22/13/72/590221372.db2.gz DWMOYBIZHAXGTL-MRVPVSSYSA-N 1 0 247.726 0.099 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cc[nH]n1 ZINC000876604421 590221476 /nfs/dbraw/zinc/22/14/76/590221476.db2.gz ALOLBPNJYZBSSZ-QMMMGPOBSA-N 1 0 228.683 0.496 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C(N)=O)C(C)C ZINC000876651607 590226100 /nfs/dbraw/zinc/22/61/00/590226100.db2.gz AMXLWONYWPDUEX-SFYZADRCSA-N 1 0 247.726 0.082 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](CC)CCO ZINC000876668044 590227904 /nfs/dbraw/zinc/22/79/04/590227904.db2.gz FMGNINKVZHDFCU-UWVGGRQHSA-N 1 0 248.754 0.981 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876668956 590228194 /nfs/dbraw/zinc/22/81/94/590228194.db2.gz WVOGZZYIENJSIT-YIZRAAEISA-N 1 0 200.257 0.625 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@@H](OC)C1 ZINC000876669942 590228886 /nfs/dbraw/zinc/22/88/86/590228886.db2.gz BTSAIZUIOQSQTQ-BDAKNGLRSA-N 1 0 232.711 0.704 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000876676315 590229071 /nfs/dbraw/zinc/22/90/71/590229071.db2.gz NQKDBICSKOYILH-SFGNSQDASA-N 1 0 248.754 0.980 20 30 BCEDRO C#CC[NH+](CC#C)C[C@]1(OC)CCOC1 ZINC000876744914 590236314 /nfs/dbraw/zinc/23/63/14/590236314.db2.gz HCCNJBJUULYUJF-GFCCVEGCSA-N 1 0 207.273 0.360 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCc1ncc[nH]1 ZINC000876765594 590239924 /nfs/dbraw/zinc/23/99/24/590239924.db2.gz VOLMCJYGDUALKC-QMMMGPOBSA-N 1 0 242.710 0.538 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)c1nc[nH]n1 ZINC000876778965 590240150 /nfs/dbraw/zinc/24/01/50/590240150.db2.gz SULSIPWAFQJDHD-RQJHMYQMSA-N 1 0 243.698 0.452 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1[nH]cnc1C ZINC000876778360 590240548 /nfs/dbraw/zinc/24/05/48/590240548.db2.gz CGGTWUOPXOAPPB-MRVPVSSYSA-N 1 0 242.710 0.804 20 30 BCEDRO C[NH2+]CCN(C)C(=O)C1(C#N)CC2(CC2)C1 ZINC000876791936 590242095 /nfs/dbraw/zinc/24/20/95/590242095.db2.gz KJSZRLRPFVIYAA-UHFFFAOYSA-N 1 0 221.304 0.748 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)[C@H](C)O1 ZINC000876802254 590243181 /nfs/dbraw/zinc/24/31/81/590243181.db2.gz NMZUPDJAXOMVGW-ORMBPQIASA-N 1 0 237.303 0.028 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C12CC(C1)C2 ZINC000876801400 590243389 /nfs/dbraw/zinc/24/33/89/590243389.db2.gz BVICUPAEZNHEDL-GWMJWBFUSA-N 1 0 205.261 0.014 20 30 BCEDRO CCO[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)C(C)C ZINC000876801343 590243522 /nfs/dbraw/zinc/24/35/22/590243522.db2.gz BKQPRGVRIZGHEN-VWYCJHECSA-N 1 0 239.319 0.275 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ocnc1C1CC1 ZINC000876802805 590243711 /nfs/dbraw/zinc/24/37/11/590243711.db2.gz SEWPHYJRBIHBDK-BDAKNGLRSA-N 1 0 246.270 0.393 20 30 BCEDRO CC/C=C(/F)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876802535 590243729 /nfs/dbraw/zinc/24/37/29/590243729.db2.gz QBTPXIGPKRMFGV-HVMXONLBSA-N 1 0 211.240 0.478 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)C#CC1CC1 ZINC000876813891 590245431 /nfs/dbraw/zinc/24/54/31/590245431.db2.gz YFOFPPIKKVSJCF-ONGXEEELSA-N 1 0 206.289 0.514 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000876830916 590247236 /nfs/dbraw/zinc/24/72/36/590247236.db2.gz ALRCSZZWEIYLDK-UTLUCORTSA-N 1 0 245.754 0.665 20 30 BCEDRO C[C@@H]1[NH2+]CCN(C(=O)c2coc(C#N)c2)[C@H]1C ZINC000876831970 590247811 /nfs/dbraw/zinc/24/78/11/590247811.db2.gz MJBBBXHWHOUBLX-IUCAKERBSA-N 1 0 233.271 0.974 20 30 BCEDRO [NH3+]CC[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000876838488 590248170 /nfs/dbraw/zinc/24/81/70/590248170.db2.gz KTLYGGLZKMXWNL-LBPRGKRZSA-N 1 0 220.316 0.987 20 30 BCEDRO C=CCN(C)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876844075 590248712 /nfs/dbraw/zinc/24/87/12/590248712.db2.gz YUDCRMJSXWXGKC-RKDXNWHRSA-N 1 0 200.257 0.578 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000876857946 590249855 /nfs/dbraw/zinc/24/98/55/590249855.db2.gz XMXNISGLPZMFMM-NEPJUHHUSA-N 1 0 218.300 0.610 20 30 BCEDRO O=C(C#CC1CC1)NC[C@@H]1C[C@H](F)C[NH2+]1 ZINC000876856803 590250059 /nfs/dbraw/zinc/25/00/59/590250059.db2.gz UVFDRZHGZXWGSX-UWVGGRQHSA-N 1 0 210.252 0.216 20 30 BCEDRO CN(C(=O)C#CC(C)(C)C)C1CC([NH3+])C1 ZINC000876863019 590250966 /nfs/dbraw/zinc/25/09/66/590250966.db2.gz ZOHCRZUPCWXOSZ-UHFFFAOYSA-N 1 0 208.305 0.984 20 30 BCEDRO [NH3+]C[C@H]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC000876871385 590251972 /nfs/dbraw/zinc/25/19/72/590251972.db2.gz VWWYUNCJPHPHIM-QWRGUYRKSA-N 1 0 206.289 0.643 20 30 BCEDRO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@]1(C)C[NH3+] ZINC000876916586 590257013 /nfs/dbraw/zinc/25/70/13/590257013.db2.gz VNTDYOIHWDVKGD-ZWNOBZJWSA-N 1 0 220.316 0.843 20 30 BCEDRO C#CCNC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000876943931 590259282 /nfs/dbraw/zinc/25/92/82/590259282.db2.gz WMWYPVOYUBLRRD-LBPRGKRZSA-N 1 0 232.283 0.314 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@H]1COCCO1 ZINC000876950017 590260059 /nfs/dbraw/zinc/26/00/59/590260059.db2.gz CNXLQBRQUPXSSU-QWRGUYRKSA-N 1 0 212.293 0.931 20 30 BCEDRO [NH3+]C1(CNC(=O)C#CC2CC2)CCCC1 ZINC000876963481 590261881 /nfs/dbraw/zinc/26/18/81/590261881.db2.gz CSWYBZYCAYAZGD-UHFFFAOYSA-N 1 0 206.289 0.788 20 30 BCEDRO C=CCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876962202 590261951 /nfs/dbraw/zinc/26/19/51/590261951.db2.gz OBAXRAIPXYJLCG-DTWKUNHWSA-N 1 0 200.257 0.626 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876968902 590262661 /nfs/dbraw/zinc/26/26/61/590262661.db2.gz UWUVWXOAWNNWJV-MNOVXSKESA-N 1 0 244.310 0.643 20 30 BCEDRO CC(C)(C)C#CC(=O)NCC12CC(C1)C[NH2+]2 ZINC000876977311 590264038 /nfs/dbraw/zinc/26/40/38/590264038.db2.gz UVRBVBMIQLHWMA-UHFFFAOYSA-N 1 0 220.316 0.904 20 30 BCEDRO C=CC(C)(C)CCNC(=O)C1=NO[C@H](C[NH3+])C1 ZINC000876990465 590266036 /nfs/dbraw/zinc/26/60/36/590266036.db2.gz DIQJJQSDRCQGDJ-VIFPVBQESA-N 1 0 239.319 0.809 20 30 BCEDRO O=C(C#CC1CC1)N[C@H]1CC[NH2+]C12CCC2 ZINC000877004494 590268157 /nfs/dbraw/zinc/26/81/57/590268157.db2.gz KLKSIWFEXAMHND-NSHDSACASA-N 1 0 218.300 0.801 20 30 BCEDRO CC[S@](=O)CC[NH2+]Cc1cccc(C#N)n1 ZINC000877040859 590273420 /nfs/dbraw/zinc/27/34/20/590273420.db2.gz GBGSPEDHNIAXAV-INIZCTEOSA-N 1 0 237.328 0.811 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)C[C@@H](C)[NH3+] ZINC000877100926 590283034 /nfs/dbraw/zinc/28/30/34/590283034.db2.gz YMESPRMPYAVBIN-NXEZZACHSA-N 1 0 214.309 0.773 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)c1coc(C#N)c1 ZINC000877107452 590285795 /nfs/dbraw/zinc/28/57/95/590285795.db2.gz FZIPPYSMRIAMFZ-SSDOTTSWSA-N 1 0 207.233 0.570 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H]1C[C@@H](OC)C1 ZINC000877117945 590288280 /nfs/dbraw/zinc/28/82/80/590288280.db2.gz FCGSGEKATXSFHL-KXUCPTDWSA-N 1 0 246.738 0.998 20 30 BCEDRO C=C(Cl)C[C@H](NC(=O)[C@@H](C)[NH3+])C(=O)OCC ZINC000877144568 590291536 /nfs/dbraw/zinc/29/15/36/590291536.db2.gz PVQSYLVJRVLXAC-SFYZADRCSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@H](NC(=O)CC[NH3+])C(=O)OCC ZINC000877143767 590291587 /nfs/dbraw/zinc/29/15/87/590291587.db2.gz BMWVGVHWOMQAMJ-QMMMGPOBSA-N 1 0 248.710 0.526 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000877145895 590292133 /nfs/dbraw/zinc/29/21/33/590292133.db2.gz RIYKSOAPFXDODI-WDEREUQCSA-N 1 0 239.319 0.516 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1coc(C#N)c1 ZINC000877171502 590296307 /nfs/dbraw/zinc/29/63/07/590296307.db2.gz IEMBYFDGROEDHQ-IONNQARKSA-N 1 0 219.244 0.713 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@H](OC)C1CC1 ZINC000877194124 590299363 /nfs/dbraw/zinc/29/93/63/590299363.db2.gz AJRQYYFSDWBNAE-NSHDSACASA-N 1 0 247.360 0.602 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@H](CCC)OC ZINC000877195205 590299475 /nfs/dbraw/zinc/29/94/75/590299475.db2.gz DGOCWDQNPOETJF-NSHDSACASA-N 1 0 249.376 0.992 20 30 BCEDRO C[C@@H](NC(=O)C#CC1CC1)C1CC[NH2+]CC1 ZINC000877254040 590304250 /nfs/dbraw/zinc/30/42/50/590304250.db2.gz LEBSXYZPWOZFKQ-SNVBAGLBSA-N 1 0 220.316 0.904 20 30 BCEDRO C#CCCCCCC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000877329053 590318275 /nfs/dbraw/zinc/31/82/75/590318275.db2.gz PRNOTCSCDXLREF-STQMWFEESA-N 1 0 225.332 0.998 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877377253 590319983 /nfs/dbraw/zinc/31/99/83/590319983.db2.gz FQRLCEKUGVRLMZ-CMPLNLGQSA-N 1 0 224.304 0.257 20 30 BCEDRO O=C(C#CC1CC1)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000877384382 590320728 /nfs/dbraw/zinc/32/07/28/590320728.db2.gz FTODTIUOYLEQFS-WCQYABFASA-N 1 0 218.300 0.801 20 30 BCEDRO C=CCOCC(=O)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877395187 590323148 /nfs/dbraw/zinc/32/31/48/590323148.db2.gz IWBQOJCPMVBJCJ-PWSUYJOCSA-N 1 0 224.304 0.590 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2CCCNC(=O)C2)nc1 ZINC000877460988 590331185 /nfs/dbraw/zinc/33/11/85/590331185.db2.gz ZOOPOJBJCOVVTJ-NSHDSACASA-N 1 0 244.298 0.712 20 30 BCEDRO C[C@H](C[C@@H]1CCCC(=O)N1)[NH2+]CCC#N ZINC000877483812 590337704 /nfs/dbraw/zinc/33/77/04/590337704.db2.gz QBNZYXRKMQTJBC-ZJUUUORDSA-N 1 0 209.293 0.937 20 30 BCEDRO C#C[C@@H]([NH2+][C@@H]1CCNC(=O)CC1)C(C)C ZINC000877513758 590342539 /nfs/dbraw/zinc/34/25/39/590342539.db2.gz YXWUETLNNUEPOU-WDEREUQCSA-N 1 0 208.305 0.903 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1ccc(C(=O)OC)n1C ZINC000877514476 590345003 /nfs/dbraw/zinc/34/50/03/590345003.db2.gz PBMGAEYMZGFKGO-VIFPVBQESA-N 1 0 220.272 0.923 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877514699 590345941 /nfs/dbraw/zinc/34/59/41/590345941.db2.gz UJFRFBORTFQXCZ-VIFPVBQESA-N 1 0 238.312 0.445 20 30 BCEDRO C#CCCCCCC[N@@H+]1C[C@H](O)[C@@H](CO)C1 ZINC000877583771 590367208 /nfs/dbraw/zinc/36/72/08/590367208.db2.gz UHWAXBXPGUTPEJ-OLZOCXBDSA-N 1 0 225.332 0.855 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1cnc(N)nc1N ZINC000877659976 590387079 /nfs/dbraw/zinc/38/70/79/590387079.db2.gz CFRKMPPYRWTKCH-SNVBAGLBSA-N 1 0 249.318 0.159 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@@H](C)Cn1cncn1 ZINC000877662009 590387710 /nfs/dbraw/zinc/38/77/10/590387710.db2.gz LJBZAEJDAJMHON-QWRGUYRKSA-N 1 0 222.292 0.295 20 30 BCEDRO CC(C)(CCC#N)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877748699 590413382 /nfs/dbraw/zinc/41/33/82/590413382.db2.gz KFTKOIXBQDICLA-MNOVXSKESA-N 1 0 226.320 0.744 20 30 BCEDRO C=CC[C@@H](C(=O)OC)N(C)[C@H]1CCN(C)C1=O ZINC000878120931 590499650 /nfs/dbraw/zinc/49/96/50/590499650.db2.gz PPHNVGOKWAEMHM-UWVGGRQHSA-N 1 0 240.303 0.267 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CO)C1 ZINC000878123545 590500267 /nfs/dbraw/zinc/50/02/67/590500267.db2.gz BGDGQJGDQQBHML-NXEZZACHSA-N 1 0 213.277 0.418 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000878301530 590538648 /nfs/dbraw/zinc/53/86/48/590538648.db2.gz ZTIQAWKVEIFJST-IUCAKERBSA-N 1 0 218.322 0.314 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000878342840 590552912 /nfs/dbraw/zinc/55/29/12/590552912.db2.gz IXTFZIDYNMPZDI-ZJUUUORDSA-N 1 0 232.349 0.704 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCN(C(=O)[C@H](C)O)CC1 ZINC000878331574 590548465 /nfs/dbraw/zinc/54/84/65/590548465.db2.gz WCYDBZZXEONRBS-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@H]1O ZINC000878335075 590549252 /nfs/dbraw/zinc/54/92/52/590549252.db2.gz HTSVOUQCMRWIDV-LDYMZIIASA-N 1 0 206.245 0.964 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)CC(C)(C)O)C1CC1 ZINC000878433981 590567445 /nfs/dbraw/zinc/56/74/45/590567445.db2.gz FKOQRFMYOKTNAN-LLVKDONJSA-N 1 0 211.305 0.606 20 30 BCEDRO C#C[C@H]([NH2+]CCc1cnccn1)[C@H]1CCCO1 ZINC000878453932 590570026 /nfs/dbraw/zinc/57/00/26/590570026.db2.gz PPRLTVVFUHIKQK-QWHCGFSZSA-N 1 0 231.299 0.790 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000878518030 590585630 /nfs/dbraw/zinc/58/56/30/590585630.db2.gz YYYJXSAXBRHNQD-UHTWSYAYSA-N 1 0 225.332 0.852 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000878642248 590599817 /nfs/dbraw/zinc/59/98/17/590599817.db2.gz YKJWNLZFSYKQJC-ZDCRXTMVSA-N 1 0 225.288 0.274 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H](O)CC1(O)CCCC1 ZINC000878655825 590600055 /nfs/dbraw/zinc/60/00/55/590600055.db2.gz ANNXCZPUFUQZEY-LBPRGKRZSA-N 1 0 225.332 0.998 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000878698125 590611280 /nfs/dbraw/zinc/61/12/80/590611280.db2.gz BFEXPRFMNYTCAQ-ZJUUUORDSA-N 1 0 214.309 0.790 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000878711803 590613561 /nfs/dbraw/zinc/61/35/61/590613561.db2.gz SNMYKFCIDKLENW-AXFHLTTASA-N 1 0 227.304 0.807 20 30 BCEDRO C#CCCCCC[NH+]1CC(C)(C(N)=O)C1 ZINC000878758393 590618849 /nfs/dbraw/zinc/61/88/49/590618849.db2.gz LDYLURGBCXFUDM-UHFFFAOYSA-N 1 0 208.305 0.987 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000878721158 590615795 /nfs/dbraw/zinc/61/57/95/590615795.db2.gz UHHZGQIWXOGKRL-VHSXEESVSA-N 1 0 240.303 0.172 20 30 BCEDRO CNC(=O)[C@@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000878721456 590616238 /nfs/dbraw/zinc/61/62/38/590616238.db2.gz WYERUFJZJRJTSN-SECBINFHSA-N 1 0 233.271 0.719 20 30 BCEDRO C#CCC[N@@H+]1[C@H](C)C(=O)N(C)[C@@H](C)[C@@H]1C ZINC000878752089 590618398 /nfs/dbraw/zinc/61/83/98/590618398.db2.gz GNUMDOAYJQQLOF-GARJFASQSA-N 1 0 208.305 0.949 20 30 BCEDRO CC(C)[C@@H](O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000878760641 590619550 /nfs/dbraw/zinc/61/95/50/590619550.db2.gz CXIYGPAAVNLCTE-RYUDHWBXSA-N 1 0 226.320 0.744 20 30 BCEDRO C#CCC[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000878772052 590620388 /nfs/dbraw/zinc/62/03/88/590620388.db2.gz DBSVAEDMDIFNAH-RYUDHWBXSA-N 1 0 205.305 0.928 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000878769902 590620514 /nfs/dbraw/zinc/62/05/14/590620514.db2.gz KFUXGAXUFLIBHN-HBNTYKKESA-N 1 0 227.304 0.807 20 30 BCEDRO COC(C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1)OC ZINC000878772024 590620591 /nfs/dbraw/zinc/62/05/91/590620591.db2.gz CNDITXSQAWFOCV-PHIMTYICSA-N 1 0 241.335 0.523 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000878820603 590628113 /nfs/dbraw/zinc/62/81/13/590628113.db2.gz NABQHCQWWBOLTO-YUSALJHKSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CC[N@@H+](CCn1cnnn1)[C@H](C)COC ZINC000878890289 590641965 /nfs/dbraw/zinc/64/19/65/590641965.db2.gz ZNDHYBLWPVXXIQ-SNVBAGLBSA-N 1 0 225.296 0.196 20 30 BCEDRO C#CC[N@@H+](CCC(=O)N(C)CC)C1CSC1 ZINC000878912820 590649211 /nfs/dbraw/zinc/64/92/11/590649211.db2.gz QIIVSYINPKNLEX-UHFFFAOYSA-N 1 0 240.372 0.905 20 30 BCEDRO C#CC[N@H+](CCn1ccnc1)C1CSC1 ZINC000878911813 590649254 /nfs/dbraw/zinc/64/92/54/590649254.db2.gz SAEMVXLABXAOQU-UHFFFAOYSA-N 1 0 221.329 0.934 20 30 BCEDRO C#CCCC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000878987129 590669357 /nfs/dbraw/zinc/66/93/57/590669357.db2.gz NCFOTNODYFABCO-LBPRGKRZSA-N 1 0 234.303 0.392 20 30 BCEDRO C=CC[C@@H](C)[N@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000879034095 590682030 /nfs/dbraw/zinc/68/20/30/590682030.db2.gz WHGUZRZDQBHYCP-MNOVXSKESA-N 1 0 241.335 0.581 20 30 BCEDRO N#CCCC[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879040783 590684538 /nfs/dbraw/zinc/68/45/38/590684538.db2.gz HPRYBIPWDPIAQR-JTQLQIEISA-N 1 0 227.283 0.826 20 30 BCEDRO N#CCCC[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879040784 590684632 /nfs/dbraw/zinc/68/46/32/590684632.db2.gz HPRYBIPWDPIAQR-SNVBAGLBSA-N 1 0 227.283 0.826 20 30 BCEDRO C=CCOCC[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879043646 590685009 /nfs/dbraw/zinc/68/50/09/590685009.db2.gz JXVJYKRDMNLOIV-NSHDSACASA-N 1 0 244.310 0.724 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(SC)CC1 ZINC000879095549 590696194 /nfs/dbraw/zinc/69/61/94/590696194.db2.gz COUYLQQSCAKRLY-SNVBAGLBSA-N 1 0 240.372 0.952 20 30 BCEDRO C=C(Cl)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000879156170 590704914 /nfs/dbraw/zinc/70/49/14/590704914.db2.gz OFOJSIXVCCNZJO-GHMZBOCLSA-N 1 0 242.706 0.724 20 30 BCEDRO C=CC[C@H](C)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000879156098 590705065 /nfs/dbraw/zinc/70/50/65/590705065.db2.gz MWIWNOKIQMHNCC-ZWKOPEQDSA-N 1 0 236.315 0.936 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879556684 590800040 /nfs/dbraw/zinc/80/00/40/590800040.db2.gz GDJMGEQWWQZCED-VHSXEESVSA-N 1 0 239.344 0.311 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879556612 590801565 /nfs/dbraw/zinc/80/15/65/590801565.db2.gz JQXWYIZIVLIKGP-QWRGUYRKSA-N 1 0 240.372 0.974 20 30 BCEDRO C=C(C)[C@H](CO)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879577897 590802728 /nfs/dbraw/zinc/80/27/28/590802728.db2.gz NSDLAIYTTUWWFA-XQQFMLRXSA-N 1 0 224.348 0.949 20 30 BCEDRO Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@@H](O)C2)cc1C#N ZINC000879608519 590828284 /nfs/dbraw/zinc/82/82/84/590828284.db2.gz IGVMJWRRNHFJJN-KGLIPLIRSA-N 1 0 246.310 0.794 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H](C)c1ccnn1C ZINC000879687981 590849900 /nfs/dbraw/zinc/84/99/00/590849900.db2.gz ZQROTHQXVCPVNE-NXEZZACHSA-N 1 0 222.292 0.999 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696578 590851454 /nfs/dbraw/zinc/85/14/54/590851454.db2.gz RFFIVEIJZLRYCQ-SDDRHHMPSA-N 1 0 211.305 0.321 20 30 BCEDRO C#CC[NH+]1CCC(c2nnnn2C)CC1 ZINC000879916045 590889653 /nfs/dbraw/zinc/88/96/53/590889653.db2.gz VTOQVWJDSXMIRL-UHFFFAOYSA-N 1 0 205.265 0.023 20 30 BCEDRO CC(C)(C#N)CC[NH+]1CCC(CO)(CO)CC1 ZINC000879970240 590900680 /nfs/dbraw/zinc/90/06/80/590900680.db2.gz KOHZUFZWPXWMRB-UHFFFAOYSA-N 1 0 240.347 0.993 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H]2[C@@H]1CCCN2C ZINC000880140888 590943547 /nfs/dbraw/zinc/94/35/47/590943547.db2.gz FCBQKSAAGRRBER-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000880150735 590946280 /nfs/dbraw/zinc/94/62/80/590946280.db2.gz SEDUKPXUUSWIOH-LLVKDONJSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880211019 590959006 /nfs/dbraw/zinc/95/90/06/590959006.db2.gz HQTRMNMCRXZBJA-CYBMUJFWSA-N 1 0 222.332 0.853 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(F)CC1 ZINC000880240063 590973774 /nfs/dbraw/zinc/97/37/74/590973774.db2.gz YAGGXVHYSZRRMM-UHFFFAOYSA-N 1 0 212.268 0.560 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(F)CC1 ZINC000880243405 590976336 /nfs/dbraw/zinc/97/63/36/590976336.db2.gz HQWFOXBGHMJQAB-SECBINFHSA-N 1 0 212.268 0.558 20 30 BCEDRO CC#CCC[N@H+](CC(N)=O)C1CCOCC1 ZINC000880394931 591019795 /nfs/dbraw/zinc/01/97/95/591019795.db2.gz ZJVZWTVLIZURRT-UHFFFAOYSA-N 1 0 224.304 0.366 20 30 BCEDRO COCC#CC[N@H+](C)[C@H]1CCOC[C@@H]1OC ZINC000880432674 591034549 /nfs/dbraw/zinc/03/45/49/591034549.db2.gz GUEYDUIWYUSDMY-RYUDHWBXSA-N 1 0 227.304 0.372 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@@H](C)CO)CC1 ZINC000880481223 591055217 /nfs/dbraw/zinc/05/52/17/591055217.db2.gz OVPCXWVMOMJGBE-LLVKDONJSA-N 1 0 211.305 0.465 20 30 BCEDRO COC(=O)[C@]1(O)CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000880565142 591086981 /nfs/dbraw/zinc/08/69/81/591086981.db2.gz BUUXBDDKTWYYQK-ONGXEEELSA-N 1 0 226.276 0.288 20 30 BCEDRO C#CCCCCC[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880567313 591089661 /nfs/dbraw/zinc/08/96/61/591089661.db2.gz GFTMCWNHTGBNFC-CYBMUJFWSA-N 1 0 239.315 0.790 20 30 BCEDRO COC(=O)[C@@]1(O)CC[N@H+](CCCCC#N)C1 ZINC000880562309 591093513 /nfs/dbraw/zinc/09/35/13/591093513.db2.gz YWCRHOSQZTVKNY-LLVKDONJSA-N 1 0 226.276 0.290 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880564390 591093548 /nfs/dbraw/zinc/09/35/48/591093548.db2.gz LNWWQVLSGPQSFC-PWSUYJOCSA-N 1 0 225.288 0.398 20 30 BCEDRO COC(=O)[C@]1(O)CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000880565603 591095654 /nfs/dbraw/zinc/09/56/54/591095654.db2.gz MXUSLSCLTPNIEO-SCVCMEIPSA-N 1 0 238.287 0.288 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880567305 591095675 /nfs/dbraw/zinc/09/56/75/591095675.db2.gz FYULFASFDNASTQ-GXSJLCMTSA-N 1 0 213.277 0.561 20 30 BCEDRO C[C@H](C#N)OCCn1cc(C2CC[NH2+]CC2)nn1 ZINC000881323531 591190649 /nfs/dbraw/zinc/19/06/49/591190649.db2.gz KMKKPWOBCIQSSA-SNVBAGLBSA-N 1 0 249.318 0.674 20 30 BCEDRO C[C@@H]([NH3+])c1cn(CC2(C#N)CCC2)nn1 ZINC000881381360 591198337 /nfs/dbraw/zinc/19/83/37/591198337.db2.gz XOYORNRSFOMHOA-MRVPVSSYSA-N 1 0 205.265 0.992 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+]1CC ZINC000882492786 591368656 /nfs/dbraw/zinc/36/86/56/591368656.db2.gz WHRZIPNNLAEEJC-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000882491514 591370567 /nfs/dbraw/zinc/37/05/67/591370567.db2.gz GXLRFOAKNVISSE-GFCCVEGCSA-N 1 0 244.298 0.777 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882492783 591372863 /nfs/dbraw/zinc/37/28/63/591372863.db2.gz WHRZIPNNLAEEJC-CMPLNLGQSA-N 1 0 226.320 0.524 20 30 BCEDRO Cc1nc(C#N)cc(NC[C@@H]2CSCC[NH2+]2)n1 ZINC000882728618 591423684 /nfs/dbraw/zinc/42/36/84/591423684.db2.gz CQBWKSVUTCNJPG-SNVBAGLBSA-N 1 0 249.343 0.774 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C[N@@H+](C)CCC ZINC000882894202 591466516 /nfs/dbraw/zinc/46/65/16/591466516.db2.gz KWEFVYDYSRTOAI-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000882893656 591466759 /nfs/dbraw/zinc/46/67/59/591466759.db2.gz ZBVPLFDFTKCLJK-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)[C@@H](C)[NH+](C)C ZINC000882903454 591471900 /nfs/dbraw/zinc/47/19/00/591471900.db2.gz CRDPWZWRAPZASA-NXEZZACHSA-N 1 0 214.309 0.380 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ncccc1F ZINC000130599997 591487151 /nfs/dbraw/zinc/48/71/51/591487151.db2.gz XPOGXCQIBSGDRV-QMMMGPOBSA-N 1 0 240.282 0.660 20 30 BCEDRO C=CC[C@H](CO)NCc1nn(CC)nc1C ZINC000883110388 591541922 /nfs/dbraw/zinc/54/19/22/591541922.db2.gz YCYMQDKWTODGBQ-SNVBAGLBSA-N 1 0 224.308 0.633 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnn(CCOC)c1 ZINC000883123601 591543694 /nfs/dbraw/zinc/54/36/94/591543694.db2.gz DJDCNUFQRQLHIX-LBPRGKRZSA-N 1 0 237.303 0.003 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cncc(OC)c1C ZINC000883125797 591544397 /nfs/dbraw/zinc/54/43/97/591544397.db2.gz UTNQWNCYDLXDQY-LBPRGKRZSA-N 1 0 234.299 0.872 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccnn1CC1CC1 ZINC000883125513 591544429 /nfs/dbraw/zinc/54/44/29/591544429.db2.gz LDFMKVUUIHASCW-GFCCVEGCSA-N 1 0 233.315 0.767 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccncc1N ZINC000883125691 591544577 /nfs/dbraw/zinc/54/45/77/591544577.db2.gz REWHRGPBNWLWLJ-JTQLQIEISA-N 1 0 205.261 0.138 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000883125389 591545004 /nfs/dbraw/zinc/54/50/04/591545004.db2.gz HTCJKZPVBVPAPU-JTQLQIEISA-N 1 0 206.245 0.261 20 30 BCEDRO C#CCN(C)CCC[NH2+]Cc1ccc(=O)[nH]c1 ZINC000883131180 591547392 /nfs/dbraw/zinc/54/73/92/591547392.db2.gz LUWGJYMOPCOMBI-UHFFFAOYSA-N 1 0 233.315 0.832 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000883156666 591555539 /nfs/dbraw/zinc/55/55/39/591555539.db2.gz VRGAOPWJEGUWDC-WISYIIOYSA-N 1 0 239.315 0.548 20 30 BCEDRO C=CCN(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000131133193 591557875 /nfs/dbraw/zinc/55/78/75/591557875.db2.gz RILSEQLJIUHEAD-SECBINFHSA-N 1 0 214.334 0.726 20 30 BCEDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000883375131 591637238 /nfs/dbraw/zinc/63/72/38/591637238.db2.gz DDHFMTUPBRPBMF-GWOFURMSSA-N 1 0 242.344 0.844 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)CC(N)=O ZINC000883388734 591640638 /nfs/dbraw/zinc/64/06/38/591640638.db2.gz BFWCBUPKWTYTFE-RKDXNWHRSA-N 1 0 200.282 0.167 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000883390798 591642887 /nfs/dbraw/zinc/64/28/87/591642887.db2.gz UWRQEKZIGGCJRX-QWRGUYRKSA-N 1 0 249.376 0.726 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccnc(OC)n1 ZINC000883400039 591645778 /nfs/dbraw/zinc/64/57/78/591645778.db2.gz BYRFIADOGGUSHQ-LLVKDONJSA-N 1 0 237.303 0.902 20 30 BCEDRO N#CCc1cccc(NC(=O)N2CC[C@H]([NH3+])C2)n1 ZINC000883587860 591695232 /nfs/dbraw/zinc/69/52/32/591695232.db2.gz UNVVIPLYFNMFDF-VIFPVBQESA-N 1 0 245.286 0.713 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883581249 591695959 /nfs/dbraw/zinc/69/59/59/591695959.db2.gz SUQOFLBQNAOWRY-NXEZZACHSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883581252 591696019 /nfs/dbraw/zinc/69/60/19/591696019.db2.gz SUQOFLBQNAOWRY-ZJUUUORDSA-N 1 0 209.293 0.402 20 30 BCEDRO C#CCSCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000132272152 591696708 /nfs/dbraw/zinc/69/67/08/591696708.db2.gz XERXKWZPFNSEAX-JTQLQIEISA-N 1 0 247.385 0.520 20 30 BCEDRO C[C@H](O)CNC(=[NH2+])NCCc1ccccc1 ZINC000132368454 591705162 /nfs/dbraw/zinc/70/51/62/591705162.db2.gz DKPOHNWLPBDETK-JTQLQIEISA-N 1 0 221.304 0.514 20 30 BCEDRO N#Cc1ccc(C(=O)NCC2CC[NH2+]CC2)[nH]1 ZINC000884012299 591799201 /nfs/dbraw/zinc/79/92/01/591799201.db2.gz GIQFRNNUUMUYRB-UHFFFAOYSA-N 1 0 232.287 0.616 20 30 BCEDRO C[NH2+][C@@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000884022011 591802643 /nfs/dbraw/zinc/80/26/43/591802643.db2.gz UTSCQOUULVQMKC-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO CC(C)(C[NH3+])NC(=O)c1ccc(C#N)[nH]1 ZINC000884025683 591807311 /nfs/dbraw/zinc/80/73/11/591807311.db2.gz DQOSOONCMAPVQJ-UHFFFAOYSA-N 1 0 206.249 0.353 20 30 BCEDRO CC(C)([NH3+])CNC(=O)c1ccc(C#N)[nH]1 ZINC000884038345 591819694 /nfs/dbraw/zinc/81/96/94/591819694.db2.gz FDSAYMNZDJMPKU-UHFFFAOYSA-N 1 0 206.249 0.353 20 30 BCEDRO CCN(CC)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884045084 591824227 /nfs/dbraw/zinc/82/42/27/591824227.db2.gz HLDPABINHWLRFI-QWKFWESOSA-N 1 0 235.331 0.994 20 30 BCEDRO C[C@@H]([NH3+])[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CCO1 ZINC000884042719 591824622 /nfs/dbraw/zinc/82/46/22/591824622.db2.gz GWBFUVJGAXYDSJ-KCJUWKMLSA-N 1 0 248.286 0.075 20 30 BCEDRO CCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884119827 591854590 /nfs/dbraw/zinc/85/45/90/591854590.db2.gz YDBGVVPKHRQOPH-SQLBVSGCSA-N 1 0 221.304 0.604 20 30 BCEDRO CCc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)no1 ZINC000884249681 591882937 /nfs/dbraw/zinc/88/29/37/591882937.db2.gz PNSJKNOBGGNRGB-XCBNKYQSSA-N 1 0 234.259 0.078 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)N[C@@H](C)C#C)C1 ZINC000884275170 591891199 /nfs/dbraw/zinc/89/11/99/591891199.db2.gz FICAFLBFUZFOKE-NWDGAFQWSA-N 1 0 233.315 0.405 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)N[C@@H](C#C)CC)C1 ZINC000884293961 591895734 /nfs/dbraw/zinc/89/57/34/591895734.db2.gz PGHUURRVMCAYLT-QWHCGFSZSA-N 1 0 247.342 0.795 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)N[C@H](C#C)CC)C1 ZINC000884293960 591896199 /nfs/dbraw/zinc/89/61/99/591896199.db2.gz PGHUURRVMCAYLT-OLZOCXBDSA-N 1 0 247.342 0.795 20 30 BCEDRO C=CC(C)(C)CC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000884339580 591906694 /nfs/dbraw/zinc/90/66/94/591906694.db2.gz QSQDNXUYTZXXNF-JTQLQIEISA-N 1 0 226.320 0.693 20 30 BCEDRO C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C[NH3+] ZINC000884341196 591906929 /nfs/dbraw/zinc/90/69/29/591906929.db2.gz UJMJQDWSUUBKRD-ZJUUUORDSA-N 1 0 246.314 0.943 20 30 BCEDRO C=CC(C)(C)CC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000884339581 591907121 /nfs/dbraw/zinc/90/71/21/591907121.db2.gz QSQDNXUYTZXXNF-SNVBAGLBSA-N 1 0 226.320 0.693 20 30 BCEDRO C[NH2+]CCCN(C)C(=O)c1ccc(C#N)[nH]1 ZINC000884343860 591907864 /nfs/dbraw/zinc/90/78/64/591907864.db2.gz OBQLZRBMLZOFAR-UHFFFAOYSA-N 1 0 220.276 0.568 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000884353230 591910861 /nfs/dbraw/zinc/91/08/61/591910861.db2.gz WOOWOHOJENAPMD-UWVGGRQHSA-N 1 0 226.320 0.821 20 30 BCEDRO CO[C@@H](C[NH3+])C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000884391277 591923822 /nfs/dbraw/zinc/92/38/22/591923822.db2.gz WSNGQHDQPGLIGB-LBPRGKRZSA-N 1 0 245.282 0.374 20 30 BCEDRO CN(CC(C)(C)[NH3+])C(=O)c1ccc(C#N)[nH]1 ZINC000884397218 591924663 /nfs/dbraw/zinc/92/46/63/591924663.db2.gz YKPMZDXFIQXYOA-UHFFFAOYSA-N 1 0 220.276 0.696 20 30 BCEDRO CC(C)[C@@H]1C[NH2+]CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884430254 591931212 /nfs/dbraw/zinc/93/12/12/591931212.db2.gz JVXWPSZSEYYZDW-LBPRGKRZSA-N 1 0 246.314 0.956 20 30 BCEDRO C[C@@H]1COCC1=NNC1=[NH+][C@H]2CCCC[C@H]2N1 ZINC000884442959 591936000 /nfs/dbraw/zinc/93/60/00/591936000.db2.gz WAXZVMOUSNTBFL-BBBLOLIVSA-N 1 0 236.319 0.869 20 30 BCEDRO CC(C)(CO)CNC(=[NH2+])NCC1CCC1 ZINC000135118428 591987520 /nfs/dbraw/zinc/98/75/20/591987520.db2.gz ZKFNFUKAITZXPD-UHFFFAOYSA-N 1 0 213.325 0.709 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)OCCF)C1 ZINC000885508373 592081438 /nfs/dbraw/zinc/08/14/38/592081438.db2.gz GWSPJAXPOGTQGN-JTQLQIEISA-N 1 0 228.267 0.780 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@@H+]2CCC[C@H](O)C2)CCC1 ZINC000885943816 592112128 /nfs/dbraw/zinc/11/21/28/592112128.db2.gz DBCWEFHNLBPIET-NWDGAFQWSA-N 1 0 238.331 0.888 20 30 BCEDRO C#CC[NH+](CC#C)C[C@H](O)CC1(C#N)CCC1 ZINC000886028547 592135993 /nfs/dbraw/zinc/13/59/93/592135993.db2.gz RYOAPWWAXOGGBP-CYBMUJFWSA-N 1 0 230.311 1.000 20 30 BCEDRO C#CCC[NH+]1CCN(C[C@@](C)(O)C(F)F)CC1 ZINC000886092107 592146323 /nfs/dbraw/zinc/14/63/23/592146323.db2.gz OGQCMJQEEREXPN-GFCCVEGCSA-N 1 0 246.301 0.643 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H](O)CC2(C#N)CCC2)C[C@H]1O ZINC000886100051 592154555 /nfs/dbraw/zinc/15/45/55/592154555.db2.gz DJKBTQSWBUPYMT-IJLUTSLNSA-N 1 0 238.331 0.744 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886166274 592167873 /nfs/dbraw/zinc/16/78/73/592167873.db2.gz DMUAIHUWXDMSNO-NSHDSACASA-N 1 0 206.289 0.996 20 30 BCEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCC1)C1(CO)CC1 ZINC000886202785 592175462 /nfs/dbraw/zinc/17/54/62/592175462.db2.gz DVGIHIXAAMUSEZ-NSHDSACASA-N 1 0 238.331 0.888 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CCO[C@@H]2C)C1 ZINC000886211053 592176991 /nfs/dbraw/zinc/17/69/91/592176991.db2.gz IMUZFVKKCNPRFV-FRRDWIJNSA-N 1 0 222.332 0.851 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2[nH]ncc2C)C1 ZINC000886211867 592177263 /nfs/dbraw/zinc/17/72/63/592177263.db2.gz ZOWRHJXBFOHHMS-LBPRGKRZSA-N 1 0 232.331 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244.360 0.271 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000886355140 592215382 /nfs/dbraw/zinc/21/53/82/592215382.db2.gz CSBFRZUQDLBHBD-LBPRGKRZSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)NCCC#N)C1 ZINC000886355780 592216181 /nfs/dbraw/zinc/21/61/81/592216181.db2.gz NOCLVQIVRQYTKL-LLVKDONJSA-N 1 0 219.288 0.361 20 30 BCEDRO C#CC[C@H]1CC[N@H+](CCc2c[nH]nn2)C1 ZINC000886366018 592218202 /nfs/dbraw/zinc/21/82/02/592218202.db2.gz VIKYYUMLGGEZEB-JTQLQIEISA-N 1 0 204.277 0.692 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@](C)(O)C(=O)OCC)C1 ZINC000886363991 592218928 /nfs/dbraw/zinc/21/89/28/592218928.db2.gz LPTNRBVTGVCVRB-YPMHNXCESA-N 1 0 239.315 0.646 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)CC(=O)OCC)C1 ZINC000886365125 592219240 /nfs/dbraw/zinc/21/92/40/592219240.db2.gz ALNRNCYBUOAGAL-NEPJUHHUSA-N 1 0 239.315 0.646 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)CN(C)C2CC2)C1 ZINC000886365742 592219959 /nfs/dbraw/zinc/21/99/59/592219959.db2.gz 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BBWPSEWCHJIDIS-UHFFFAOYSA-N 1 0 239.315 0.912 20 30 BCEDRO C#CCC1([NH2+]CC(=O)NCC)CCOCC1 ZINC000887125759 592447592 /nfs/dbraw/zinc/44/75/92/592447592.db2.gz ICLXNZXDNOTFEZ-UHFFFAOYSA-N 1 0 224.304 0.285 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCCF ZINC000887136453 592451405 /nfs/dbraw/zinc/45/14/05/592451405.db2.gz UNXDCEGGRYTYSS-VIFPVBQESA-N 1 0 200.257 0.416 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CCCF ZINC000887137359 592451427 /nfs/dbraw/zinc/45/14/27/592451427.db2.gz FLFNKSYNYKDGBH-SECBINFHSA-N 1 0 245.298 0.678 20 30 BCEDRO C[N@H+](CCCF)CC(=O)NCCC#N ZINC000887137333 592452029 /nfs/dbraw/zinc/45/20/29/592452029.db2.gz DEFZLQALHLAZPL-UHFFFAOYSA-N 1 0 201.245 0.308 20 30 BCEDRO C#CCNC(=O)N1CCC([NH3+])(CC)CC1 ZINC000887278439 592475345 /nfs/dbraw/zinc/47/53/45/592475345.db2.gz CIEFWZIKXCPYNK-UHFFFAOYSA-N 1 0 209.293 0.533 20 30 BCEDRO C=CCn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887413178 592503147 /nfs/dbraw/zinc/50/31/47/592503147.db2.gz GCJFXXZSJGZXRJ-JTQLQIEISA-N 1 0 221.308 0.387 20 30 BCEDRO C=C(C)Cn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887432826 592505245 /nfs/dbraw/zinc/50/52/45/592505245.db2.gz YDNLFWYSIVYBOQ-NSHDSACASA-N 1 0 235.335 0.777 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887672686 592539980 /nfs/dbraw/zinc/53/99/80/592539980.db2.gz GPHXWWHPSCNIIV-LBPRGKRZSA-N 1 0 239.319 0.469 20 30 BCEDRO CC[C@H](C(=O)N1CCO[C@](C)(C#N)C1)[NH+](C)C ZINC000887678691 592540518 /nfs/dbraw/zinc/54/05/18/592540518.db2.gz HRMKRAFNRXHMJF-ZYHUDNBSSA-N 1 0 239.319 0.468 20 30 BCEDRO C[C@]1(C#N)CN(C(=O)C[NH+]2CCCC2)CCO1 ZINC000887680235 592541256 /nfs/dbraw/zinc/54/12/56/592541256.db2.gz ARERZAPCORKJSM-LBPRGKRZSA-N 1 0 237.303 0.223 20 30 BCEDRO Cn1cc(CCNC(=[NH2+])N2CCCCC2)cn1 ZINC000104173241 592603616 /nfs/dbraw/zinc/60/36/16/592603616.db2.gz DFKOLXFPVTZLOI-UHFFFAOYSA-N 1 0 235.335 0.763 20 30 BCEDRO C#CC1(F)CN(C(=O)NC[C@@H]2CC[N@H+]2CC)C1 ZINC000890055697 592673547 /nfs/dbraw/zinc/67/35/47/592673547.db2.gz DTYBHIIGBURZRI-JTQLQIEISA-N 1 0 239.294 0.447 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000890064089 592674475 /nfs/dbraw/zinc/67/44/75/592674475.db2.gz QFIUDIQAFLYGQD-WDEREUQCSA-N 1 0 223.320 0.744 20 30 BCEDRO Cc1noc(C)c1C[NH2+]CCn1cnc(C#N)n1 ZINC000353038096 592713657 /nfs/dbraw/zinc/71/36/57/592713657.db2.gz LWUKNVOPDRXDCZ-UHFFFAOYSA-N 1 0 246.274 0.544 20 30 BCEDRO C=CCn1cc(CN[C@H]2C[C@@H]([NH3+])C23CCC3)nn1 ZINC000925708019 634399449 /nfs/dbraw/zinc/39/94/49/634399449.db2.gz QSJCLEGBXGKBIM-NEPJUHHUSA-N 1 0 247.346 0.824 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H]1COCC1(C)C ZINC000313022816 634439356 /nfs/dbraw/zinc/43/93/56/634439356.db2.gz DUTGZJNHLLEHQG-GFCCVEGCSA-N 1 0 224.348 0.956 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC001027315523 634473868 /nfs/dbraw/zinc/47/38/68/634473868.db2.gz YKELLPZNHNLPNI-LBPRGKRZSA-N 1 0 246.314 0.579 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001027781228 635149033 /nfs/dbraw/zinc/14/90/33/635149033.db2.gz GNNDJQNIGOLDRF-VXGBXAGGSA-N 1 0 236.315 0.237 20 30 BCEDRO N#CCCN1CCN([C@H]2C[C@H]([NH3+])C23CCC3)CC1 ZINC000925726677 634522328 /nfs/dbraw/zinc/52/23/28/634522328.db2.gz JVKMMRXRRXZCOJ-STQMWFEESA-N 1 0 248.374 0.788 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC34CC4)[C@@H]2C1 ZINC000978806983 634614085 /nfs/dbraw/zinc/61/40/85/634614085.db2.gz LYGMYQNUTJHSBA-FVCCEPFGSA-N 1 0 244.338 0.714 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)C(F)F)C1 ZINC000980835958 635285698 /nfs/dbraw/zinc/28/56/98/635285698.db2.gz GTZMEUAWNNGSBE-BDAKNGLRSA-N 1 0 230.258 0.902 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccnn2C)C1 ZINC001010361924 635420480 /nfs/dbraw/zinc/42/04/80/635420480.db2.gz PHCSYHSUCLLZIG-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010362758 635426444 /nfs/dbraw/zinc/42/64/44/635426444.db2.gz WRHGHCSGYAKIRH-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C=CCC[N@@H+]1CCC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001028213049 635482232 /nfs/dbraw/zinc/48/22/32/635482232.db2.gz QMLJKDFIAYUVTI-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO Cc1ccc(CN[C@@H]2C[NH2+]CCOC2)cc1C#N ZINC000925837290 635494968 /nfs/dbraw/zinc/49/49/68/635494968.db2.gz FWZFNTQSXLDGRV-CQSZACIVSA-N 1 0 245.326 0.945 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@](C)(O)c1ccsc1 ZINC000178590028 635534802 /nfs/dbraw/zinc/53/48/02/635534802.db2.gz VDMYLMOUBZXSIL-SNVBAGLBSA-N 1 0 227.333 0.832 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nccn2CC)C1 ZINC001022022443 631246085 /nfs/dbraw/zinc/24/60/85/631246085.db2.gz OVZXEXRWLHYLJN-PHIMTYICSA-N 1 0 246.314 0.387 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000971503095 631281621 /nfs/dbraw/zinc/28/16/21/631281621.db2.gz ZHNAJJVPXWLYPV-SNVBAGLBSA-N 1 0 234.303 0.742 20 30 BCEDRO C=CCN(C)C(=S)NCC[NH+](C)C ZINC000308395594 631305787 /nfs/dbraw/zinc/30/57/87/631305787.db2.gz CYUSNECPGZLJLB-UHFFFAOYSA-N 1 0 201.339 0.540 20 30 BCEDRO C#CCNC(=O)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933382386 631345032 /nfs/dbraw/zinc/34/50/32/631345032.db2.gz 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/nfs/dbraw/zinc/57/07/36/631570736.db2.gz SQKBVTVFHVNHLJ-NNYUYHANSA-N 1 0 236.315 0.281 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC000971875273 631573272 /nfs/dbraw/zinc/57/32/72/631573272.db2.gz KWSBPVSKMIZTRO-LLVKDONJSA-N 1 0 248.330 0.752 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@H](C)N1CC[C@@H]1CO ZINC000934026560 631603764 /nfs/dbraw/zinc/60/37/64/631603764.db2.gz GVTSXCTWGOGCEY-NWDGAFQWSA-N 1 0 240.347 0.866 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cccn2C)C1 ZINC001028413435 635669526 /nfs/dbraw/zinc/66/95/26/635669526.db2.gz BNFRAHXRQSMZQA-GFCCVEGCSA-N 1 0 245.326 0.710 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001028429557 635672145 /nfs/dbraw/zinc/67/21/45/635672145.db2.gz QFXDZKROYMLQTB-NEPJUHHUSA-N 1 0 236.315 0.094 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CCOC2)C1 ZINC001028429560 635673400 /nfs/dbraw/zinc/67/34/00/635673400.db2.gz QFXDZKROYMLQTB-VXGBXAGGSA-N 1 0 236.315 0.094 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001028441197 635674040 /nfs/dbraw/zinc/67/40/40/635674040.db2.gz IONCJXBGFSOWNV-NSHDSACASA-N 1 0 246.314 0.403 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ocnc2C)C1 ZINC001028466381 635686475 /nfs/dbraw/zinc/68/64/75/635686475.db2.gz QHWHBMKVSMWMSP-LLVKDONJSA-N 1 0 247.298 0.668 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC001022519167 631657481 /nfs/dbraw/zinc/65/74/81/631657481.db2.gz CFNYFPXYTDOQCQ-AOOOYVTPSA-N 1 0 232.287 0.202 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](CCO)C1CCC1 ZINC000308802600 631667137 /nfs/dbraw/zinc/66/71/37/631667137.db2.gz NKIHYKJQAACJFX-JTQLQIEISA-N 1 0 212.293 0.762 20 30 BCEDRO C#C[C@@H]([NH2+]C1CCOCC1)[C@H]1CCCO1 ZINC000308824169 631671195 /nfs/dbraw/zinc/67/11/95/631671195.db2.gz HMJASXBXRPSDFX-VXGBXAGGSA-N 1 0 209.289 0.936 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1CCOC1)[C@@H]1CCCO1 ZINC000308824681 631671395 /nfs/dbraw/zinc/67/13/95/631671395.db2.gz HRNYCLRODWBCKQ-WOPDTQHZSA-N 1 0 209.289 0.793 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H](CO)C1 ZINC000308839039 631677742 /nfs/dbraw/zinc/67/77/42/631677742.db2.gz XVOXFUNWJHNONJ-MNOVXSKESA-N 1 0 212.293 0.619 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001022565886 631697404 /nfs/dbraw/zinc/69/74/04/631697404.db2.gz LNJXGXUNMJHRSK-YYNVLWEHSA-N 1 0 236.315 0.302 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1c[nH]c(C(=O)OC)c1 ZINC000308900809 631722296 /nfs/dbraw/zinc/72/22/96/631722296.db2.gz BGNWSAJKENWBIC-QMMMGPOBSA-N 1 0 206.245 0.913 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](F)CC)C1 ZINC000972091823 631765183 /nfs/dbraw/zinc/76/51/83/631765183.db2.gz ZPGZNGHUFXYUFK-GHMZBOCLSA-N 1 0 226.295 0.900 20 30 BCEDRO Nc1ccc(C=[NH+]N2CCOCC2)cn1 ZINC000308985787 631781374 /nfs/dbraw/zinc/78/13/74/631781374.db2.gz JQMFLYHAVKFXMI-UHFFFAOYSA-N 1 0 206.249 0.330 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCOC12CCCC2 ZINC000934395672 631821527 /nfs/dbraw/zinc/82/15/27/631821527.db2.gz JMWXLAITJDVBPB-LLVKDONJSA-N 1 0 236.315 0.427 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](CC)C(N)=O)[C@H]1CCCO1 ZINC000309067858 631831400 /nfs/dbraw/zinc/83/14/00/631831400.db2.gz AJWKBGQLCJACFN-LPEHRKFASA-N 1 0 210.277 0.021 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H]1CC=C ZINC000934458803 631846094 /nfs/dbraw/zinc/84/60/94/631846094.db2.gz DTHSRPKIKULGCC-NSHDSACASA-N 1 0 206.289 0.776 20 30 BCEDRO C=CC[C@H]1CC[N@@H+]1[C@H]1CCC(=O)NC1=O ZINC000934458944 631847799 /nfs/dbraw/zinc/84/77/99/631847799.db2.gz ABANONQFPPBPSO-IUCAKERBSA-N 1 0 208.261 0.442 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCCS(N)(=O)=O ZINC000934460130 631852272 /nfs/dbraw/zinc/85/22/72/631852272.db2.gz NZAFJCFLXDZDFR-VIFPVBQESA-N 1 0 218.322 0.315 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@H](O)COCCOC ZINC000934461499 631856516 /nfs/dbraw/zinc/85/65/16/631856516.db2.gz YJQDRRWXLABUIP-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCNS(C)(=O)=O ZINC000934468279 631861122 /nfs/dbraw/zinc/86/11/22/631861122.db2.gz AZTFCIFLPQDBQJ-VIFPVBQESA-N 1 0 218.322 0.186 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000934471585 631863024 /nfs/dbraw/zinc/86/30/24/631863024.db2.gz UYVNLSDARNSMKJ-VXGBXAGGSA-N 1 0 221.304 0.894 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]1CC=C ZINC000934472412 631866059 /nfs/dbraw/zinc/86/60/59/631866059.db2.gz OADRTSUWRFGIJW-MNOVXSKESA-N 1 0 206.289 0.775 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]1CC=C ZINC000934472411 631866578 /nfs/dbraw/zinc/86/65/78/631866578.db2.gz OADRTSUWRFGIJW-GHMZBOCLSA-N 1 0 206.289 0.775 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1[C@@H](C)C(=O)NC(=O)NC ZINC000934473488 631866659 /nfs/dbraw/zinc/86/66/59/631866659.db2.gz WMDKOBNABNUFPZ-DTWKUNHWSA-N 1 0 225.292 0.481 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001022742093 631869870 /nfs/dbraw/zinc/86/98/70/631869870.db2.gz SMZBGFVUYKQXSG-WISYIIOYSA-N 1 0 238.331 0.977 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000308826948 631870945 /nfs/dbraw/zinc/87/09/45/631870945.db2.gz RRUVOPZQUPVBPJ-MXWKQRLJSA-N 1 0 212.293 0.930 20 30 BCEDRO C#CCCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000309097623 631881380 /nfs/dbraw/zinc/88/13/80/631881380.db2.gz HLXZRUNZWHNXAY-GFCCVEGCSA-N 1 0 210.321 0.445 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1C[C@@H]1CNC(=O)C1 ZINC000934515063 631897156 /nfs/dbraw/zinc/89/71/56/631897156.db2.gz GKKPLKOWLVVSIB-QWRGUYRKSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCC1(C)C ZINC000309154923 631910052 /nfs/dbraw/zinc/91/00/52/631910052.db2.gz XFCJCYPHQJZUIS-SNVBAGLBSA-N 1 0 208.305 0.904 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC000972296383 631919920 /nfs/dbraw/zinc/91/99/20/631919920.db2.gz MLZJOLAQWUMNCL-NSHDSACASA-N 1 0 238.306 0.902 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC000972423923 632030232 /nfs/dbraw/zinc/03/02/32/632030232.db2.gz KYBDGVQELNOEDB-NEPJUHHUSA-N 1 0 232.327 0.952 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001022890562 632035534 /nfs/dbraw/zinc/03/55/34/632035534.db2.gz DBBBRRORUPDHIR-NTZNESFSSA-N 1 0 236.315 0.283 20 30 BCEDRO C=C(C)C[N@@H+](CC)CC(=O)N(C)OC ZINC000091536481 632060677 /nfs/dbraw/zinc/06/06/77/632060677.db2.gz OEOYDOQPGSDICW-UHFFFAOYSA-N 1 0 200.282 0.904 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000308877666 632061567 /nfs/dbraw/zinc/06/15/67/632061567.db2.gz BZPWIGCSUHVXPD-LLVKDONJSA-N 1 0 229.345 0.909 20 30 BCEDRO C#Cc1cccc(NC(=O)CNC(=[NH2+])NC)c1 ZINC000161536274 632076071 /nfs/dbraw/zinc/07/60/71/632076071.db2.gz NYSHFMWZKUWROK-UHFFFAOYSA-N 1 0 230.271 0.141 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCCCC#N)[C@@H]2C1 ZINC000894131777 635699483 /nfs/dbraw/zinc/69/94/83/635699483.db2.gz XRCLGOSIZHBICJ-GHMZBOCLSA-N 1 0 236.319 0.636 20 30 BCEDRO COc1ccc(C[NH2+][C@H](C)CC(N)=O)cc1C#N ZINC000161584131 632095672 /nfs/dbraw/zinc/09/56/72/632095672.db2.gz VOBMUUJZOAMREW-SECBINFHSA-N 1 0 247.298 0.920 20 30 BCEDRO COCCN(CC[NH+](C)C)C(=O)NCCC#N ZINC000426423572 635714036 /nfs/dbraw/zinc/71/40/36/635714036.db2.gz AZXIOUDVBLZCBV-UHFFFAOYSA-N 1 0 242.323 0.120 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2cn(C)nn2)C1 ZINC001028517158 635718815 /nfs/dbraw/zinc/71/88/15/635718815.db2.gz CCYYOCUIEYMEKH-JTQLQIEISA-N 1 0 249.318 0.053 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccnc2C)C1 ZINC001023091402 632129281 /nfs/dbraw/zinc/12/92/81/632129281.db2.gz YOEFNHBCGGALLA-TXEJJXNPSA-N 1 0 248.330 0.614 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001028532246 635722889 /nfs/dbraw/zinc/72/28/89/635722889.db2.gz QKHFNWHSFCLTCM-SNVBAGLBSA-N 1 0 232.287 0.095 20 30 BCEDRO CC/[NH+]=C(/N(C)C)N1CCO[C@H](COC)C1 ZINC000255439436 635732174 /nfs/dbraw/zinc/73/21/74/635732174.db2.gz JXICVKDIYWHAIS-OQDIYGIBSA-N 1 0 229.324 0.271 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cncn2C)C1 ZINC001028664736 635779671 /nfs/dbraw/zinc/77/96/71/635779671.db2.gz FAGDOIGEHFCGDU-NSHDSACASA-N 1 0 246.314 0.105 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2nonc2C)C1 ZINC001023163506 632405167 /nfs/dbraw/zinc/40/51/67/632405167.db2.gz QKPWVQSNFLPMLR-DTORHVGOSA-N 1 0 236.275 0.414 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001023241651 632423937 /nfs/dbraw/zinc/42/39/37/632423937.db2.gz DBUVIHVMRBRIRX-NSHDSACASA-N 1 0 246.314 0.485 20 30 BCEDRO N#CCC[C@H](C#N)C[NH2+][C@@H](CO)C1CC1 ZINC000308916955 632430161 /nfs/dbraw/zinc/43/01/61/632430161.db2.gz HTQBTAGETHLPCB-KOLCDFICSA-N 1 0 207.277 0.790 20 30 BCEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H](CO)C1CC1 ZINC000308916963 632430705 /nfs/dbraw/zinc/43/07/05/632430705.db2.gz HTQBTAGETHLPCB-ONGXEEELSA-N 1 0 207.277 0.790 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cnnn1C ZINC000926525097 632438442 /nfs/dbraw/zinc/43/84/42/632438442.db2.gz IOJFNGJGKYGOME-KKZNHRDASA-N 1 0 222.292 0.809 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000972614290 632534229 /nfs/dbraw/zinc/53/42/29/632534229.db2.gz HORPGFUWRDDTPC-NSHDSACASA-N 1 0 248.330 0.671 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000972614286 632534769 /nfs/dbraw/zinc/53/47/69/632534769.db2.gz HORPGFUWRDDTPC-LLVKDONJSA-N 1 0 248.330 0.671 20 30 BCEDRO COC(=O)[C@@H](C)C[N@H+](C)CCO[C@H](C)C#N ZINC000309130133 632641967 /nfs/dbraw/zinc/64/19/67/632641967.db2.gz DQEAWXKSYLCSRT-VHSXEESVSA-N 1 0 228.292 0.656 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000309136234 632645548 /nfs/dbraw/zinc/64/55/48/632645548.db2.gz SBTCEKUWKGXHEQ-HTQZYQBOSA-N 1 0 228.317 0.833 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc(O)c(Cl)c1 ZINC000003129075 632648250 /nfs/dbraw/zinc/64/82/50/632648250.db2.gz OPAVRBOWYWNTSN-UHFFFAOYSA-N 1 0 212.640 0.863 20 30 BCEDRO C#C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000290859681 632649328 /nfs/dbraw/zinc/64/93/28/632649328.db2.gz ZKXSYMAGSLXHHB-VWYCJHECSA-N 1 0 208.305 0.855 20 30 BCEDRO CC[NH+](CC)C[C@@H](C)NC(=O)NCC#CCO ZINC000923779666 632818589 /nfs/dbraw/zinc/81/85/89/632818589.db2.gz CRLUARPMTZTZPC-LLVKDONJSA-N 1 0 241.335 0.012 20 30 BCEDRO CCNC(NCCCN1CCOCC1)=[NH+]CC ZINC000066244930 632859536 /nfs/dbraw/zinc/85/95/36/632859536.db2.gz BXMXZWMEXQILEU-UHFFFAOYSA-N 1 0 242.367 0.284 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000309269568 632869060 /nfs/dbraw/zinc/86/90/60/632869060.db2.gz RTLVXLANKBRUIB-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548924 632956579 /nfs/dbraw/zinc/95/65/79/632956579.db2.gz LDEYTJAZFIAWCH-AXFHLTTASA-N 1 0 241.335 0.350 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)[C@H]1CCCO1 ZINC000309387322 633002828 /nfs/dbraw/zinc/00/28/28/633002828.db2.gz FESKATNAJPXLRY-WUHRBBMRSA-N 1 0 222.332 0.707 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)COC(C)C ZINC000309416026 633040823 /nfs/dbraw/zinc/04/08/23/633040823.db2.gz JGAMQHAMJKKLFH-NSHDSACASA-N 1 0 249.376 0.990 20 30 BCEDRO [NH2+]=C(NCC1CCC1)NC[C@@H]1COCCO1 ZINC000262023890 635897919 /nfs/dbraw/zinc/89/79/19/635897919.db2.gz YVHQUBIYROMNPC-SNVBAGLBSA-N 1 0 227.308 0.106 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928427608 635904996 /nfs/dbraw/zinc/90/49/96/635904996.db2.gz KDWZSCIJTADEMA-VXGBXAGGSA-N 1 0 239.363 0.703 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](COCC)C(C)C ZINC000309459118 633091462 /nfs/dbraw/zinc/09/14/62/633091462.db2.gz NJGIZIWSHPAVGJ-LLVKDONJSA-N 1 0 226.320 0.387 20 30 BCEDRO CCOCCCNC(=[NH2+])NC[C@H](C)COC ZINC000170910907 633177091 /nfs/dbraw/zinc/17/70/91/633177091.db2.gz XSHUCHTYQFQSAT-JTQLQIEISA-N 1 0 231.340 0.600 20 30 BCEDRO C#CCOCCN1CC[NH+](C2CCC2)CC1 ZINC000851771554 633180451 /nfs/dbraw/zinc/18/04/51/633180451.db2.gz IKRMYULMMYOMNI-UHFFFAOYSA-N 1 0 222.332 0.806 20 30 BCEDRO C#CCOCC[NH2+][C@H](CO)c1ccccc1 ZINC000309558884 633199752 /nfs/dbraw/zinc/19/97/52/633199752.db2.gz IRANUHWMIJQYTJ-CYBMUJFWSA-N 1 0 219.284 0.959 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cc(C)[nH+]c(N)n1 ZINC000328018756 633213150 /nfs/dbraw/zinc/21/31/50/633213150.db2.gz RVTGREVRMYYCRI-UHFFFAOYSA-N 1 0 233.319 0.734 20 30 BCEDRO C#CCN(C)CCC[NH2+]C1CCS(=O)CC1 ZINC000328038207 633227897 /nfs/dbraw/zinc/22/78/97/633227897.db2.gz WRXMVUMSTPVZSA-UHFFFAOYSA-N 1 0 242.388 0.442 20 30 BCEDRO [NH2+]=C(NCc1cc[nH]n1)N1CCCCC1 ZINC000303893230 635934708 /nfs/dbraw/zinc/93/47/08/635934708.db2.gz RVFPHOZRFHRIQC-UHFFFAOYSA-N 1 0 207.281 0.710 20 30 BCEDRO Cc1onc(CC(=O)NC[C@@H]2CC[N@H+]2C)c1C#N ZINC000928553265 636088417 /nfs/dbraw/zinc/08/84/17/636088417.db2.gz CKKAOZULNPRTSD-VIFPVBQESA-N 1 0 248.286 0.218 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)CC(C)(C)C#N ZINC000928557429 636097889 /nfs/dbraw/zinc/09/78/89/636097889.db2.gz SFUGIYRJEKHXHY-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO CS[C@@H]1CC[C@H]1[NH2+][C@@H]1CCCN(O)C1=O ZINC000895157430 636099617 /nfs/dbraw/zinc/09/96/17/636099617.db2.gz CHWQTTVIIOAKQC-IWSPIJDZSA-N 1 0 230.333 0.850 20 30 BCEDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CO1 ZINC000895158013 636100259 /nfs/dbraw/zinc/10/02/59/636100259.db2.gz GYUXGIATXUQKMG-BDAKNGLRSA-N 1 0 228.292 0.524 20 30 BCEDRO CC1(C)COC[C@@H]1[NH2+][C@H]1CCCN(O)C1=O ZINC000895157963 636101698 /nfs/dbraw/zinc/10/16/98/636101698.db2.gz GNDZLCXQWZZXHO-IUCAKERBSA-N 1 0 228.292 0.381 20 30 BCEDRO Cc1cc(C#N)nc(NCC[N@H+](C)CCO)c1 ZINC000895240976 636126415 /nfs/dbraw/zinc/12/64/15/636126415.db2.gz PXXWGZDUGUJZMV-UHFFFAOYSA-N 1 0 234.303 0.598 20 30 BCEDRO C#CCN(C)C(=O)N1CCC([NH3+])(CC)CC1 ZINC000892931162 633731031 /nfs/dbraw/zinc/73/10/31/633731031.db2.gz HUYIDGRTBVALRD-UHFFFAOYSA-N 1 0 223.320 0.875 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1nccn1C ZINC000328149007 633736229 /nfs/dbraw/zinc/73/62/29/633736229.db2.gz DUBUKFIKBSYLNV-UHFFFAOYSA-N 1 0 220.320 0.465 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@@H](C)COC ZINC000328193630 633742565 /nfs/dbraw/zinc/74/25/65/633742565.db2.gz QTBYTNVAHZGTRY-GFCCVEGCSA-N 1 0 212.337 0.814 20 30 BCEDRO CC(C)[N@H+](CCO)CCO[C@@H](C)C#N ZINC000308573158 633754953 /nfs/dbraw/zinc/75/49/53/633754953.db2.gz GAIKLZSREPTLDI-JTQLQIEISA-N 1 0 200.282 0.618 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CO[C@@H](C)C1 ZINC001025823750 633780219 /nfs/dbraw/zinc/78/02/19/633780219.db2.gz CITXUUKCZRYRSO-OBPIAQAESA-N 1 0 248.326 0.091 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C2CCOCC2)C1 ZINC001019923057 633799288 /nfs/dbraw/zinc/79/92/88/633799288.db2.gz DLTJVIMHMVWZSZ-HAQNSBGRSA-N 1 0 238.331 0.836 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001019973554 633803094 /nfs/dbraw/zinc/80/30/94/633803094.db2.gz FUDYLTSSKXSEIV-GMTAPVOTSA-N 1 0 222.288 0.035 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2OCC)C1 ZINC001019999470 633805358 /nfs/dbraw/zinc/80/53/58/633805358.db2.gz PRGBDVPORVTKEP-DDHJBXDOSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC001020318243 633815004 /nfs/dbraw/zinc/81/50/04/633815004.db2.gz HUOSELRBNUGMCX-BJDJZHNGSA-N 1 0 236.315 0.281 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC001020319851 633815463 /nfs/dbraw/zinc/81/54/63/633815463.db2.gz XXSKBJYKSIPBFZ-BJDJZHNGSA-N 1 0 238.331 0.834 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C(C)C ZINC001026128813 633853323 /nfs/dbraw/zinc/85/33/23/633853323.db2.gz XFHOMNVSGJYRPI-POQQGIQPSA-N 1 0 246.354 0.958 20 30 BCEDRO CC(C)[C@](C)(CO)[NH2+]C[C@H](O)CC#N ZINC000930519364 633857558 /nfs/dbraw/zinc/85/75/58/633857558.db2.gz KMRQBUJWCFLBML-ZJUUUORDSA-N 1 0 200.282 0.258 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)COC)C[C@@H]21 ZINC001026160060 633861559 /nfs/dbraw/zinc/86/15/59/633861559.db2.gz UUYAWVQHUNIPHV-SDDRHHMPSA-N 1 0 236.315 0.093 20 30 BCEDRO C=CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)COC)C[C@H]21 ZINC001026159728 633863609 /nfs/dbraw/zinc/86/36/09/633863609.db2.gz OPMGERFPHLRKRY-QJPTWQEYSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)C(F)F)C[C@@H]21 ZINC001026162954 633866681 /nfs/dbraw/zinc/86/66/81/633866681.db2.gz JXFGRBRXXMBTEF-LPEHRKFASA-N 1 0 242.269 0.711 20 30 BCEDRO C#CCCCC[NH2+][C@H]1C(=O)NCC1(C)C ZINC000925525429 633900840 /nfs/dbraw/zinc/90/08/40/633900840.db2.gz ATXJENGIZZEXQY-JTQLQIEISA-N 1 0 208.305 0.904 20 30 BCEDRO CC[C@](C)(CC(=O)OC)[NH2+]CC#CCOC ZINC000309907621 633925702 /nfs/dbraw/zinc/92/57/02/633925702.db2.gz LCQODFQRXYJPJB-GFCCVEGCSA-N 1 0 227.304 0.958 20 30 BCEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)C1CC1 ZINC000309500407 633937042 /nfs/dbraw/zinc/93/70/42/633937042.db2.gz LKSDYDPGVIVLKV-FXBDTBDDSA-N 1 0 207.277 0.260 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](C)NC(=O)NCC#CCO ZINC000923769127 633980253 /nfs/dbraw/zinc/98/02/53/633980253.db2.gz XWNKWAOSFLWUKL-LLVKDONJSA-N 1 0 241.335 0.010 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309671277 633986743 /nfs/dbraw/zinc/98/67/43/633986743.db2.gz JXEMNGOUJPUIMC-MNOVXSKESA-N 1 0 242.344 0.869 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@H]([NH+](C)C)[C@H]1C ZINC000309753009 634001857 /nfs/dbraw/zinc/00/18/57/634001857.db2.gz BHJDWMTZXNVAIU-UTUOFQBUSA-N 1 0 225.336 0.939 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]CC(C)(C)CC(=O)OCC ZINC000895489473 636150786 /nfs/dbraw/zinc/15/07/86/636150786.db2.gz CQPVHXCAOGKTEY-NSHDSACASA-N 1 0 241.331 0.940 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCCC[C@@H]1C1(O)CC1 ZINC000930693084 634036865 /nfs/dbraw/zinc/03/68/65/634036865.db2.gz LURDGBQACGLIPO-GHMZBOCLSA-N 1 0 224.304 0.640 20 30 BCEDRO Cn1nccc1CCNC(=[NH2+])NCC1CCC1 ZINC000186036563 634066575 /nfs/dbraw/zinc/06/65/75/634066575.db2.gz SWAWJPLTOGWQMQ-UHFFFAOYSA-N 1 0 235.335 0.667 20 30 BCEDRO CCOCCCNC(=[NH2+])N[C@@H]1C[C@@H](O)C1(C)C ZINC000186873581 634087382 /nfs/dbraw/zinc/08/73/82/634087382.db2.gz GTGVQZRYVBLIRW-NXEZZACHSA-N 1 0 243.351 0.477 20 30 BCEDRO C#CCCCNC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000187809569 634118750 /nfs/dbraw/zinc/11/87/50/634118750.db2.gz NVNALDPOQZZAPO-LBPRGKRZSA-N 1 0 237.347 0.993 20 30 BCEDRO C[C@H]1NCCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925609212 634146176 /nfs/dbraw/zinc/14/61/76/634146176.db2.gz QOPPBABYQGMADF-DGCLKSJQSA-N 1 0 236.363 0.704 20 30 BCEDRO C#CC[NH2+]C1CCC(NC(=O)C(F)F)CC1 ZINC001026436653 634158725 /nfs/dbraw/zinc/15/87/25/634158725.db2.gz BNGDVVOUHLLOOM-UHFFFAOYSA-N 1 0 230.258 0.902 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)[C@H](CO)Cc1ccccc1 ZINC000930921397 634179397 /nfs/dbraw/zinc/17/93/97/634179397.db2.gz HVXPZBBKGSKNRI-UONOGXRCSA-N 1 0 248.326 0.796 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1cccc(COC)c1 ZINC000092493029 634184791 /nfs/dbraw/zinc/18/47/91/634184791.db2.gz MHQAQSCGIYAKRZ-UHFFFAOYSA-N 1 0 246.310 0.672 20 30 BCEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1CC(=O)NCCC#N ZINC000931044399 634201817 /nfs/dbraw/zinc/20/18/17/634201817.db2.gz ASVBSDGVIDPASL-GHMZBOCLSA-N 1 0 238.335 0.041 20 30 BCEDRO CC[NH2+]C[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001026735504 634313216 /nfs/dbraw/zinc/31/32/16/634313216.db2.gz PPLOPQQNBVUVGU-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCCC(=O)N(C)C ZINC000194689508 634330404 /nfs/dbraw/zinc/33/04/04/634330404.db2.gz NEHZQANOEFTFIZ-SECBINFHSA-N 1 0 228.340 0.558 20 30 BCEDRO CC[NH2+]C[C@@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001026794219 634357491 /nfs/dbraw/zinc/35/74/91/634357491.db2.gz GPGYFVJMEJFRAQ-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)C1CC1 ZINC001027707263 635118822 /nfs/dbraw/zinc/11/88/22/635118822.db2.gz CVIDYRBMMOOFSY-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cccn1C ZINC001027760176 635138543 /nfs/dbraw/zinc/13/85/43/635138543.db2.gz SJHSQCDCPVBUNE-LBPRGKRZSA-N 1 0 245.326 0.853 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCOC1 ZINC001027781448 635149779 /nfs/dbraw/zinc/14/97/79/635149779.db2.gz IXEUFEADLFUPFJ-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010064708 635181018 /nfs/dbraw/zinc/18/10/18/635181018.db2.gz ZSZMYCBDNXXFCW-GHMZBOCLSA-N 1 0 224.304 0.542 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CC1(F)F ZINC001027875770 635186239 /nfs/dbraw/zinc/18/62/39/635186239.db2.gz XRNIZOXBQWQKBH-VHSXEESVSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001027896319 635199342 /nfs/dbraw/zinc/19/93/42/635199342.db2.gz MWRZYLXPVZUIDM-SCRDCRAPSA-N 1 0 248.326 0.237 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccon2)C1 ZINC000980935029 635301918 /nfs/dbraw/zinc/30/19/18/635301918.db2.gz IBRHORJZNBRNRF-QWRGUYRKSA-N 1 0 247.298 0.938 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC000980934051 635302359 /nfs/dbraw/zinc/30/23/59/635302359.db2.gz XCKWLFFPORRQGF-GHMZBOCLSA-N 1 0 246.314 0.674 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000981188630 635323899 /nfs/dbraw/zinc/32/38/99/635323899.db2.gz XDKTUGCXTZLWBO-VHSXEESVSA-N 1 0 247.302 0.069 20 30 BCEDRO C=CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000981187846 635324742 /nfs/dbraw/zinc/32/47/42/635324742.db2.gz RHBBHPUPWAVPPZ-VHSXEESVSA-N 1 0 249.318 0.621 20 30 BCEDRO C=CCC[N@@H+]1CCCN(C(=O)c2cn[nH]n2)CC1 ZINC000981532902 635368022 /nfs/dbraw/zinc/36/80/22/635368022.db2.gz KQYKUPFRAJMMLC-UHFFFAOYSA-N 1 0 249.318 0.529 20 30 BCEDRO C#CC[N@H+]1CCCC2(CN(C(=O)COC)C2)C1 ZINC000981559535 635368779 /nfs/dbraw/zinc/36/87/79/635368779.db2.gz KDOZHDGSWWNJMJ-UHFFFAOYSA-N 1 0 236.315 0.190 20 30 BCEDRO C#CC[N@H+]1CCCC2(CN(C(C)=O)C2)C1 ZINC000981557611 635368879 /nfs/dbraw/zinc/36/88/79/635368879.db2.gz KZNJAYSUOZUZTK-UHFFFAOYSA-N 1 0 206.289 0.564 20 30 BCEDRO C#CC[N@H+]1CCCC2(CN(C(=O)C3CC3)C2)C1 ZINC000981568345 635371134 /nfs/dbraw/zinc/37/11/34/635371134.db2.gz BADLIYSNZKIREX-UHFFFAOYSA-N 1 0 232.327 0.954 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC001010342549 635380921 /nfs/dbraw/zinc/38/09/21/635380921.db2.gz WHLLCUBMOAXAIG-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)c2cnco2)CC1 ZINC000981713142 635388574 /nfs/dbraw/zinc/38/85/74/635388574.db2.gz CVOSJMBUFQHNFM-UHFFFAOYSA-N 1 0 247.298 0.846 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1nnc[nH]1 ZINC001028209067 635476787 /nfs/dbraw/zinc/47/67/87/635476787.db2.gz FSSUPFFKVGWWKQ-SECBINFHSA-N 1 0 235.291 0.185 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001028727458 635808623 /nfs/dbraw/zinc/80/86/23/635808623.db2.gz SXZGDLPONJBFKW-LLVKDONJSA-N 1 0 248.330 0.956 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@H]2C[C@@H]2C)C1 ZINC001028742979 635812441 /nfs/dbraw/zinc/81/24/41/635812441.db2.gz KGSHLYBKJVRKDM-SRVKXCTJSA-N 1 0 220.316 0.714 20 30 BCEDRO C#CCN(C(=O)C(=C)C[NH+](C)C)C(C)C ZINC000928626162 636220095 /nfs/dbraw/zinc/22/00/95/636220095.db2.gz RZICTSKUEMPDIX-UHFFFAOYSA-N 1 0 208.305 0.974 20 30 BCEDRO C#CC[N@@H+](C)C1CCN(C(=O)[C@@H](C)OC)CC1 ZINC000985307869 636276981 /nfs/dbraw/zinc/27/69/81/636276981.db2.gz VWZZSBWUNBZSAO-LLVKDONJSA-N 1 0 238.331 0.577 20 30 BCEDRO CCN(CC)C(=[NH2+])NCC(C)(C)C(N)=O ZINC000303867448 636311875 /nfs/dbraw/zinc/31/18/75/636311875.db2.gz CXHOEVSVJSLCGZ-UHFFFAOYSA-N 1 0 214.313 0.154 20 30 BCEDRO COCCNC(=[NH2+])NCC[S@](=O)C(C)(C)C ZINC000304229576 636319747 /nfs/dbraw/zinc/31/97/47/636319747.db2.gz MWAYOJSNOHBNLN-INIZCTEOSA-N 1 0 249.380 0.084 20 30 BCEDRO CNC(NCC(=O)OC(C)(C)C)=[NH+]C ZINC000304204268 636320807 /nfs/dbraw/zinc/32/08/07/636320807.db2.gz BEYGQRPGLAGSBB-UHFFFAOYSA-N 1 0 201.270 0.123 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC[C@H]1CCCCO1 ZINC000305824869 636332413 /nfs/dbraw/zinc/33/24/13/636332413.db2.gz CERURUATSFLBDA-WDEREUQCSA-N 1 0 243.351 0.885 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)nc1 ZINC000728861607 636366099 /nfs/dbraw/zinc/36/60/99/636366099.db2.gz NLBVNKHHVOHUFZ-SNVBAGLBSA-N 1 0 231.299 0.743 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)COC)[C@H]1C ZINC000985833458 636424953 /nfs/dbraw/zinc/42/49/53/636424953.db2.gz RFZJNAAFWXGOGB-VHSXEESVSA-N 1 0 246.738 0.964 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(C)(C)F)[C@H]1C ZINC000985843683 636429796 /nfs/dbraw/zinc/42/97/96/636429796.db2.gz RABJRZJUKIMMAL-UWVGGRQHSA-N 1 0 226.295 0.947 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnccn2)[C@H]1C ZINC000985913513 636451627 /nfs/dbraw/zinc/45/16/27/636451627.db2.gz ANLDCJQGGRUKKB-QWRGUYRKSA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1C ZINC000985940132 636454536 /nfs/dbraw/zinc/45/45/36/636454536.db2.gz DWWKRCUCSVKTHX-CMPLNLGQSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CSC)[C@@H]1C ZINC000985945197 636455287 /nfs/dbraw/zinc/45/52/87/636455287.db2.gz VHVNHFLICXLLLQ-ZJUUUORDSA-N 1 0 226.345 0.562 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]1C ZINC000985946968 636455822 /nfs/dbraw/zinc/45/58/22/636455822.db2.gz SYQZZNZZFSZEPH-ZYHUDNBSSA-N 1 0 246.314 0.246 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cccn2)[C@H]1C ZINC000985970378 636457923 /nfs/dbraw/zinc/45/79/23/636457923.db2.gz LNEHQFJDTOLPHB-NWDGAFQWSA-N 1 0 248.330 0.648 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C)n[nH]2)[C@@H]1C ZINC000986012738 636467470 /nfs/dbraw/zinc/46/74/70/636467470.db2.gz VFYFDJDMKRXBOW-GHMZBOCLSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccon2)[C@H]1C ZINC000986009814 636468072 /nfs/dbraw/zinc/46/80/72/636468072.db2.gz ZQZPQOMZPREECB-UWVGGRQHSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2=COCCC2)[C@@H]1C ZINC000986054325 636481404 /nfs/dbraw/zinc/48/14/04/636481404.db2.gz ZKEJIAXXUWZRGF-DGCLKSJQSA-N 1 0 248.326 0.893 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2ccon2)[C@@H]1C ZINC000986054378 636481925 /nfs/dbraw/zinc/48/19/25/636481925.db2.gz IVYYRLXPKMDUAF-ZYHUDNBSSA-N 1 0 249.314 0.982 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccnn2C)[C@@H]1C ZINC000986062474 636484847 /nfs/dbraw/zinc/48/48/47/636484847.db2.gz HXVIEIOGAOELSH-GHMZBOCLSA-N 1 0 248.330 0.799 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccnn2C)[C@H]1C ZINC000986062479 636484902 /nfs/dbraw/zinc/48/49/02/636484902.db2.gz HXVIEIOGAOELSH-WDEREUQCSA-N 1 0 248.330 0.799 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COC[C@@H]1C ZINC000928914483 636507858 /nfs/dbraw/zinc/50/78/58/636507858.db2.gz XRJBZNWECGFJSD-VHSXEESVSA-N 1 0 212.293 0.255 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cncnc2)[C@@H]1C ZINC000986195796 636542904 /nfs/dbraw/zinc/54/29/04/636542904.db2.gz XESKHXHJGKTHQP-ZYHUDNBSSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+]CC(=O)N1CCC[C@@H](OCC)C1 ZINC000086157132 636634433 /nfs/dbraw/zinc/63/44/33/636634433.db2.gz LBKRJIIOBCRWFE-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC(=[NH2+])N1CCC1 ZINC000263168808 636636502 /nfs/dbraw/zinc/63/65/02/636636502.db2.gz RSGHLIUGEDZFOI-MNOVXSKESA-N 1 0 223.320 0.988 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncccn2)[C@@H]1C ZINC000987225581 636641060 /nfs/dbraw/zinc/64/10/60/636641060.db2.gz XLSZIVOVILVRQA-MNOVXSKESA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncccn2)[C@H]1C ZINC000987225584 636641402 /nfs/dbraw/zinc/64/14/02/636641402.db2.gz XLSZIVOVILVRQA-WDEREUQCSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncccn2)[C@H]1C ZINC000987225583 636641769 /nfs/dbraw/zinc/64/17/69/636641769.db2.gz XLSZIVOVILVRQA-QWRGUYRKSA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)[C@@H]1C ZINC000987317258 636646097 /nfs/dbraw/zinc/64/60/97/636646097.db2.gz GKVSICTVUVGWQZ-NXEZZACHSA-N 1 0 249.318 0.112 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nocc2C)[C@H]1C ZINC000987315025 636646627 /nfs/dbraw/zinc/64/66/27/636646627.db2.gz XPHOGJQNVGNFFW-WDEREUQCSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccn(C)n2)[C@H]1C ZINC000987525577 636652860 /nfs/dbraw/zinc/65/28/60/636652860.db2.gz PCLGPAYVPWSBHJ-QWRGUYRKSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1C ZINC000987605220 636654579 /nfs/dbraw/zinc/65/45/79/636654579.db2.gz OTBFDOMUQKKPAP-NEPJUHHUSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CC2)C1 ZINC000987679311 636660529 /nfs/dbraw/zinc/66/05/29/636660529.db2.gz GGERZTCGDRSOFJ-MWLCHTKSSA-N 1 0 206.289 0.609 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccncc2)C1 ZINC000987779971 636666386 /nfs/dbraw/zinc/66/63/86/636666386.db2.gz MEJNJAHBSWMLTN-YPMHNXCESA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccn2C)C1 ZINC000988123644 636678417 /nfs/dbraw/zinc/67/84/17/636678417.db2.gz MMIAQLYXXCOIBO-VXGBXAGGSA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C(C)C)C1 ZINC000988135359 636680037 /nfs/dbraw/zinc/68/00/37/636680037.db2.gz PATHXYNAMQACFJ-QWRGUYRKSA-N 1 0 208.305 0.855 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cn[nH]c2)C1 ZINC000988188731 636681426 /nfs/dbraw/zinc/68/14/26/636681426.db2.gz JLDDZUBQSNIHIN-KOLCDFICSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cncs2)C1 ZINC000988257829 636684338 /nfs/dbraw/zinc/68/43/38/636684338.db2.gz LACUPDADEFVTFM-UWVGGRQHSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cscn2)C1 ZINC000988307029 636687184 /nfs/dbraw/zinc/68/71/84/636687184.db2.gz WKTRJJHAVQQTRI-VHSXEESVSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cscn2)C1 ZINC000988307032 636687742 /nfs/dbraw/zinc/68/77/42/636687742.db2.gz WKTRJJHAVQQTRI-ZJUUUORDSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2c[nH]c(C)n2)C1 ZINC000988371969 636699011 /nfs/dbraw/zinc/69/90/11/636699011.db2.gz YSVRFCYWPNFUAU-ONGXEEELSA-N 1 0 246.314 0.544 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2ccon2)C1 ZINC000988388295 636700519 /nfs/dbraw/zinc/70/05/19/636700519.db2.gz CZUDIZXSORVVRI-PWSUYJOCSA-N 1 0 249.314 0.982 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC000988424960 636706955 /nfs/dbraw/zinc/70/69/55/636706955.db2.gz WGFYPTZXOSMNDJ-NXEZZACHSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cncnc2)C1 ZINC000988680370 636757974 /nfs/dbraw/zinc/75/79/74/636757974.db2.gz ROKMAEJFRCMCLM-ZYHUDNBSSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[C@H]1NC(=O)N(C[C@H]2CCC[N@H+]2C)C1=O ZINC000925295084 636759622 /nfs/dbraw/zinc/75/96/22/636759622.db2.gz WKDSQRSJUWLDQT-NXEZZACHSA-N 1 0 235.287 0.024 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cn(C)nn2)C1 ZINC000988779503 636786329 /nfs/dbraw/zinc/78/63/29/636786329.db2.gz UQHQUHYBDMHTJL-UWVGGRQHSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc[nH]c2)C1 ZINC000988859195 636790270 /nfs/dbraw/zinc/79/02/70/636790270.db2.gz HBZVMKYZRFBDAR-CMPLNLGQSA-N 1 0 231.299 0.841 20 30 BCEDRO C[NH+]=C(NCCn1ccnc1)NC(C)(C)C ZINC000264154627 636805881 /nfs/dbraw/zinc/80/58/81/636805881.db2.gz SGAFOCSNQSJCJX-UHFFFAOYSA-N 1 0 223.324 0.847 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@H]2CC23CC(O)C3)n1 ZINC000897843969 636838603 /nfs/dbraw/zinc/83/86/03/636838603.db2.gz KLLIVIGYOJVJFJ-OTTFEQOBSA-N 1 0 229.283 0.956 20 30 BCEDRO C=C(C)CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897898536 636845887 /nfs/dbraw/zinc/84/58/87/636845887.db2.gz LPNABZVGVHUWPB-GFCCVEGCSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccnnc2)C1 ZINC000989475683 636857611 /nfs/dbraw/zinc/85/76/11/636857611.db2.gz CHIJHNXESRVMPA-JQWIXIFHSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC000989486511 636858174 /nfs/dbraw/zinc/85/81/74/636858174.db2.gz DRGNKSGMLROWBF-JQWIXIFHSA-N 1 0 246.314 0.164 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC000322343915 636859359 /nfs/dbraw/zinc/85/93/59/636859359.db2.gz CYSNEBABBITOMC-WDEREUQCSA-N 1 0 236.315 0.093 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccncn2)C1 ZINC000989566284 636862440 /nfs/dbraw/zinc/86/24/40/636862440.db2.gz UCBGVVCBUQZQDZ-QWRGUYRKSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnn(C)n2)C1 ZINC000989551966 636862582 /nfs/dbraw/zinc/86/25/82/636862582.db2.gz YFKDKMUKEDSBJI-VHSXEESVSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccncn2)C1 ZINC000989565884 636862872 /nfs/dbraw/zinc/86/28/72/636862872.db2.gz OBGOWBVAUNTGQO-QWRGUYRKSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+]CC(=O)N1C[C@@H](C)OC[C@H]1CC ZINC000082344006 636868809 /nfs/dbraw/zinc/86/88/09/636868809.db2.gz AOZQPBZBGRKREH-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2nocc2C)C1 ZINC000989650515 636870085 /nfs/dbraw/zinc/87/00/85/636870085.db2.gz QMPQRMBUQIOHKC-WDEREUQCSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2nnc[nH]2)C1 ZINC000989658288 636870209 /nfs/dbraw/zinc/87/02/09/636870209.db2.gz VSUIQPFPPOKCNG-NXEZZACHSA-N 1 0 249.318 0.112 20 30 BCEDRO C#CC[N@@H+]1CC[C@@]2(NC(C)=O)CCC[C@H]12 ZINC000989870734 636889667 /nfs/dbraw/zinc/88/96/67/636889667.db2.gz NZXZKEOSCZLFMF-RYUDHWBXSA-N 1 0 206.289 0.753 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cc(C)no2)CC1 ZINC000989933785 636900384 /nfs/dbraw/zinc/90/03/84/636900384.db2.gz CXBSPVWHWDXBLV-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO C#CCN1CCC[C@@H](N2C(=O)NC(C)(C)C2=O)C1 ZINC000925327417 636909014 /nfs/dbraw/zinc/90/90/14/636909014.db2.gz WBBNIZKTTQMJPG-SNVBAGLBSA-N 1 0 249.314 0.414 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)C2=COCCC2)CC1 ZINC000990158705 636921716 /nfs/dbraw/zinc/92/17/16/636921716.db2.gz FYTJPMNJTQOQFX-UHFFFAOYSA-N 1 0 248.326 0.895 20 30 BCEDRO CC#CCCCC(=O)N[C@H](CO)c1cncn1C ZINC000898889589 637062846 /nfs/dbraw/zinc/06/28/46/637062846.db2.gz PKBCXFCNAVXHBJ-LLVKDONJSA-N 1 0 249.314 0.763 20 30 BCEDRO Cc1nn(CCC[NH2+]C2CC2)c(=O)c(C#N)c1C ZINC000899623954 637101548 /nfs/dbraw/zinc/10/15/48/637101548.db2.gz KSSUQYWDWIXWBQ-UHFFFAOYSA-N 1 0 246.314 0.874 20 30 BCEDRO CC(C)[NH+]1CCN(CCC(=O)NCC#N)CC1 ZINC000900465306 637187698 /nfs/dbraw/zinc/18/76/98/637187698.db2.gz ZRGGGFOASBQZFB-UHFFFAOYSA-N 1 0 238.335 0.042 20 30 BCEDRO CC[C@@H](C#N)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900471082 637188499 /nfs/dbraw/zinc/18/84/99/637188499.db2.gz GFBWEEUOIAQAPJ-CMPLNLGQSA-N 1 0 239.319 0.252 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC[C@H](C)O ZINC000900932115 637213848 /nfs/dbraw/zinc/21/38/48/637213848.db2.gz IQFWZRVRCQHIGH-NSHDSACASA-N 1 0 228.336 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H](C)O ZINC000900932939 637214553 /nfs/dbraw/zinc/21/45/53/637214553.db2.gz VTSSMQUVETYYBA-SNVBAGLBSA-N 1 0 214.309 0.334 20 30 BCEDRO C[C@@H](C#N)C[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905104395 637610407 /nfs/dbraw/zinc/61/04/07/637610407.db2.gz FSXFCMFHGHIOLA-WDEREUQCSA-N 1 0 226.320 0.792 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Nc1ccncc1 ZINC000905154264 637637190 /nfs/dbraw/zinc/63/71/90/637637190.db2.gz ZVEUHFFJJSIUSY-UHFFFAOYSA-N 1 0 232.287 0.190 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C(=O)OC(C)(C)C ZINC000905151225 637662412 /nfs/dbraw/zinc/66/24/12/637662412.db2.gz IZWMMIPIAGLBQO-UHFFFAOYSA-N 1 0 240.303 0.009 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905167235 637677151 /nfs/dbraw/zinc/67/71/51/637677151.db2.gz JIXBUJSENISFSM-LBPRGKRZSA-N 1 0 243.347 0.835 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905170669 637681467 /nfs/dbraw/zinc/68/14/67/637681467.db2.gz RPFUFSSLHUZPDH-NSHDSACASA-N 1 0 229.320 0.445 20 30 BCEDRO CC#CCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905199502 637694005 /nfs/dbraw/zinc/69/40/05/637694005.db2.gz BCIKNNVAHPHDMK-LLVKDONJSA-N 1 0 211.305 0.655 20 30 BCEDRO CC(C)(C#N)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905201742 637694043 /nfs/dbraw/zinc/69/40/43/637694043.db2.gz FKGZHGLALPTTNT-JTQLQIEISA-N 1 0 226.320 0.792 20 30 BCEDRO N#CCCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905204636 637695014 /nfs/dbraw/zinc/69/50/14/637695014.db2.gz RBSKBKOHODLSNR-SNVBAGLBSA-N 1 0 212.293 0.546 20 30 BCEDRO C#CCOCC[NH2+]C[C@](C)(O)C(F)F ZINC000905205773 637695254 /nfs/dbraw/zinc/69/52/54/637695254.db2.gz AJTPMLCMBGWQPL-VIFPVBQESA-N 1 0 207.220 0.242 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905203248 637696410 /nfs/dbraw/zinc/69/64/10/637696410.db2.gz PONKYSNCWNHHGR-SNVBAGLBSA-N 1 0 215.293 0.055 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905243548 637704277 /nfs/dbraw/zinc/70/42/77/637704277.db2.gz JZWNTCCTAQOCSW-ZJUUUORDSA-N 1 0 214.265 0.834 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)C1(O)CCC1)C(C)C ZINC000905245872 637705309 /nfs/dbraw/zinc/70/53/09/637705309.db2.gz XWZSCYHTZKVXSJ-QWRGUYRKSA-N 1 0 211.305 0.510 20 30 BCEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905245945 637705744 /nfs/dbraw/zinc/70/57/44/637705744.db2.gz ZJNLCCAYMHXFHD-RWMBFGLXSA-N 1 0 243.347 0.833 20 30 BCEDRO C=CC[C@@H](CC)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905242647 637725774 /nfs/dbraw/zinc/72/57/74/637725774.db2.gz DMZSYZYGHCWDIO-NEPJUHHUSA-N 1 0 243.347 0.833 20 30 BCEDRO C=C(CC)C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905281700 637736542 /nfs/dbraw/zinc/73/65/42/637736542.db2.gz VBYRUVKIKHOSDP-RYUDHWBXSA-N 1 0 229.320 0.445 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCOC2)[C@H]1C ZINC001074554580 711443628 /nfs/dbraw/zinc/44/36/28/711443628.db2.gz VLCFTUUXEGCTPY-SRVKXCTJSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905351750 637771588 /nfs/dbraw/zinc/77/15/88/637771588.db2.gz BLRRQJPMEKWFRC-NWDGAFQWSA-N 1 0 243.347 0.569 20 30 BCEDRO Cc1cccc([C@H](O)C[NH2+]CC#CCO)c1 ZINC000905358973 637777086 /nfs/dbraw/zinc/77/70/86/637777086.db2.gz RNHNKFWDHFLCPO-CYBMUJFWSA-N 1 0 219.284 0.614 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)CC1(O)CCCCC1 ZINC000905359743 637778639 /nfs/dbraw/zinc/77/86/39/637778639.db2.gz WFENCMYBQXQARF-LBPRGKRZSA-N 1 0 241.331 0.018 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@](C)(O)C(F)F ZINC000905364919 637788006 /nfs/dbraw/zinc/78/80/06/637788006.db2.gz HGJMRRNLASQMDV-SCZZXKLOSA-N 1 0 223.263 0.777 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@](C)(O)C(F)F ZINC000905364921 637788055 /nfs/dbraw/zinc/78/80/55/637788055.db2.gz HGJMRRNLASQMDV-WPRPVWTQSA-N 1 0 223.263 0.777 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905367221 637789151 /nfs/dbraw/zinc/78/91/51/637789151.db2.gz XNRWBWADLHBJFH-NEPJUHHUSA-N 1 0 241.331 0.016 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@](C)(O)C(F)F ZINC000905400764 637795440 /nfs/dbraw/zinc/79/54/40/637795440.db2.gz VYMLPJHGVVPEIF-WCBMZHEXSA-N 1 0 221.247 0.630 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]2C)[C@H]1C ZINC001074803747 711444610 /nfs/dbraw/zinc/44/46/10/711444610.db2.gz MUPOLVYTWLVAFG-KXNHARMFSA-N 1 0 220.316 0.855 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905448901 637807767 /nfs/dbraw/zinc/80/77/67/637807767.db2.gz BYKSWMVTFWAAAO-NEPJUHHUSA-N 1 0 243.347 0.569 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905448905 637807866 /nfs/dbraw/zinc/80/78/66/637807866.db2.gz BYKSWMVTFWAAAO-RYUDHWBXSA-N 1 0 243.347 0.569 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1C[C@H](OC)C1 ZINC000905423817 637811585 /nfs/dbraw/zinc/81/15/85/637811585.db2.gz RXOZQEVTDKGSIC-XYPYZODXSA-N 1 0 224.304 0.141 20 30 BCEDRO CCN1CC[C@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000905440871 637815798 /nfs/dbraw/zinc/81/57/98/637815798.db2.gz HNIWIRMJRUHUQS-NWDGAFQWSA-N 1 0 239.363 0.971 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)CSC ZINC000905454446 637820681 /nfs/dbraw/zinc/82/06/81/637820681.db2.gz SXWJOAAWNTWUHV-NXEZZACHSA-N 1 0 219.350 0.627 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)CC)C1 ZINC000905458618 637823104 /nfs/dbraw/zinc/82/31/04/637823104.db2.gz AZLQZDOKCWQTPF-NEPJUHHUSA-N 1 0 210.321 0.445 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C[C@](C)(O)C(F)F)C1 ZINC000905461704 637824239 /nfs/dbraw/zinc/82/42/39/637824239.db2.gz RGKPCTNFBLYXDT-JQWIXIFHSA-N 1 0 246.301 0.690 20 30 BCEDRO C[C@@H]1CNC(NN=C2CC[C@@H]3[C@H]4OCC[C@H]4[C@H]23)=[NH+]1 ZINC000905461871 637824412 /nfs/dbraw/zinc/82/44/12/637824412.db2.gz XAQRNNPBOYUFSE-ACJPCYBHSA-N 1 0 248.330 0.725 20 30 BCEDRO CN1CC[C@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000905547430 637839633 /nfs/dbraw/zinc/83/96/33/637839633.db2.gz WXISRWDWCWRNSA-WDEREUQCSA-N 1 0 223.320 0.335 20 30 BCEDRO C#CCNC(=S)N1CC[N@@H+](C)C(C)(C)C1 ZINC000905522473 637843724 /nfs/dbraw/zinc/84/37/24/637843724.db2.gz ICEAJLWVXGTJBY-UHFFFAOYSA-N 1 0 225.361 0.520 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cncc(O)c2)CC1 ZINC000905627626 637862775 /nfs/dbraw/zinc/86/27/75/637862775.db2.gz VOFATUSWLAYZSJ-LBPRGKRZSA-N 1 0 247.298 0.932 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]Cc2cncc(O)c2)CC1 ZINC000905627301 637863068 /nfs/dbraw/zinc/86/30/68/637863068.db2.gz VOFATUSWLAYZSJ-GFCCVEGCSA-N 1 0 247.298 0.932 20 30 BCEDRO C#CCNC(=S)NC1CC[NH+](CC#C)CC1 ZINC000905656875 637872238 /nfs/dbraw/zinc/87/22/38/637872238.db2.gz BXLPTIFNHHGKQK-UHFFFAOYSA-N 1 0 235.356 0.181 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C/C=C/Cl ZINC000905709780 637891703 /nfs/dbraw/zinc/89/17/03/637891703.db2.gz ZPNHSVJIOSPKID-YWNRKNDBSA-N 1 0 231.727 0.535 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C/C=C/Cl ZINC000905709060 637892602 /nfs/dbraw/zinc/89/26/02/637892602.db2.gz VUGDKWBXZQIYAP-HWKANZROSA-N 1 0 200.669 0.468 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc(C[NH2+]C(C)C)nn1 ZINC000905803865 637933393 /nfs/dbraw/zinc/93/33/93/637933393.db2.gz VHNVJEGNCHEHOG-LLVKDONJSA-N 1 0 224.308 0.886 20 30 BCEDRO CC[NH2+]Cc1cn(Cc2cncc(C#N)c2)nn1 ZINC000905838831 637940497 /nfs/dbraw/zinc/94/04/97/637940497.db2.gz UTSPYYDFSZWCTH-UHFFFAOYSA-N 1 0 242.286 0.703 20 30 BCEDRO C[C@H]([NH2+][C@H]1COC[C@H]1C)C(=O)N(C)CCC#N ZINC000905869009 637954697 /nfs/dbraw/zinc/95/46/97/637954697.db2.gz XVYWDVRMSJXXBN-VWYCJHECSA-N 1 0 239.319 0.371 20 30 BCEDRO CC[C@H](C(=O)N(CC#N)CC#N)[NH+](C)C ZINC000906478521 638175928 /nfs/dbraw/zinc/17/59/28/638175928.db2.gz DEYIZFCTOCXOBN-SECBINFHSA-N 1 0 208.265 0.202 20 30 BCEDRO CCC[N@@H+]1CCC[C@H](C(=O)NCC#N)C1 ZINC000906479123 638176007 /nfs/dbraw/zinc/17/60/07/638176007.db2.gz LCWONGXVSPPSCU-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]CCCC ZINC000906527032 638191786 /nfs/dbraw/zinc/19/17/86/638191786.db2.gz CZBVXCCYTQYQPF-UHFFFAOYSA-N 1 0 205.323 0.977 20 30 BCEDRO CC[C@H](C(=O)N[C@@](C)(C#N)COC)[NH+](C)C ZINC000906994923 638286657 /nfs/dbraw/zinc/28/66/57/638286657.db2.gz XQBVWLGPUHTVPS-KOLCDFICSA-N 1 0 227.308 0.371 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C(=C)CC[NH+](C)C ZINC000907362734 638362167 /nfs/dbraw/zinc/36/21/67/638362167.db2.gz KHDSGXFAXCJKPB-NSHDSACASA-N 1 0 226.320 0.548 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C(=C)CC[NH+](C)C ZINC000907362733 638362334 /nfs/dbraw/zinc/36/23/34/638362334.db2.gz KHDSGXFAXCJKPB-LLVKDONJSA-N 1 0 226.320 0.548 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC1(O)CCC1 ZINC000907371113 638365324 /nfs/dbraw/zinc/36/53/24/638365324.db2.gz WKMTXRZGRFPECG-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CO)C/C=C\C ZINC000907453364 638387617 /nfs/dbraw/zinc/38/76/17/638387617.db2.gz XQLOPDRWVHWINV-FOQNGQEVSA-N 1 0 240.347 0.938 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CO)C/C=C/C ZINC000907453365 638387915 /nfs/dbraw/zinc/38/79/15/638387915.db2.gz XQLOPDRWVHWINV-FYJFLYSWSA-N 1 0 240.347 0.938 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(=O)[C@H](C)C1 ZINC000907510045 638394078 /nfs/dbraw/zinc/39/40/78/638394078.db2.gz IGXBJCMHZWLCIO-LLVKDONJSA-N 1 0 238.331 0.932 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCC(C)(C)O ZINC000907505576 638394594 /nfs/dbraw/zinc/39/45/94/638394594.db2.gz YKONGDDNDNTFPQ-UHFFFAOYSA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCCN(C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907636461 638428162 /nfs/dbraw/zinc/42/81/62/638428162.db2.gz QAZVLSQLVJFYCU-ZDUSSCGKSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H](O)C[C@@H]1C ZINC000907664537 638438073 /nfs/dbraw/zinc/43/80/73/638438073.db2.gz RAXYFORLTXMRGW-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@H](O)C1 ZINC000907679789 638440225 /nfs/dbraw/zinc/44/02/25/638440225.db2.gz WKIPSNUMBAIFKB-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCN(C)C(=O)c1ccnn1CC[NH+](C)C ZINC000907681996 638444654 /nfs/dbraw/zinc/44/46/54/638444654.db2.gz NLSPJNUESWDJNY-UHFFFAOYSA-N 1 0 234.303 0.150 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC000907774746 638468232 /nfs/dbraw/zinc/46/82/32/638468232.db2.gz OKEKTYCERZKHOR-JTQLQIEISA-N 1 0 206.289 0.562 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOCC(C)(C)O ZINC000907795421 638473082 /nfs/dbraw/zinc/47/30/82/638473082.db2.gz YDTJGVTYRYOAFZ-UHFFFAOYSA-N 1 0 230.308 0.313 20 30 BCEDRO C=CCCCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000907852256 638487574 /nfs/dbraw/zinc/48/75/74/638487574.db2.gz IQSGPHOTTLWQGW-ZDUSSCGKSA-N 1 0 240.347 0.916 20 30 BCEDRO C#C[C@H](NC(=O)Cc1c[nH]cn1)C(C)C ZINC000907966036 638529447 /nfs/dbraw/zinc/52/94/47/638529447.db2.gz KLFLEYWNDYEQNT-JTQLQIEISA-N 1 0 205.261 0.726 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000907980442 638534637 /nfs/dbraw/zinc/53/46/37/638534637.db2.gz WECOKOVARLYKJO-QWHCGFSZSA-N 1 0 245.326 0.989 20 30 BCEDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCC#CCO)C1 ZINC000908030177 638552452 /nfs/dbraw/zinc/55/24/52/638552452.db2.gz SHOWZUDOVDYUPB-GFCCVEGCSA-N 1 0 238.331 0.220 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CC)[C@@H](C)CO ZINC000908438774 638717106 /nfs/dbraw/zinc/71/71/06/638717106.db2.gz IEYJCEBDSFCRIX-NSHDSACASA-N 1 0 228.336 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC(C)(C)CO ZINC000908553226 639011598 /nfs/dbraw/zinc/01/15/98/639011598.db2.gz IUZIKRAKFDECJB-UHFFFAOYSA-N 1 0 242.363 0.971 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC(C)=NO1 ZINC000908707658 639057975 /nfs/dbraw/zinc/05/79/75/639057975.db2.gz UIOGUGJXYZQYKU-NSHDSACASA-N 1 0 239.319 0.775 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1Cc2cncn2C1 ZINC000908758411 639063706 /nfs/dbraw/zinc/06/37/06/639063706.db2.gz KLEWUQIWWJVESN-NSHDSACASA-N 1 0 248.330 0.432 20 30 BCEDRO C=C(C)CCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000908928604 639102486 /nfs/dbraw/zinc/10/24/86/639102486.db2.gz FOUDYDIRZXFDIL-UHFFFAOYSA-N 1 0 239.363 0.562 20 30 BCEDRO C=C(C)CCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000908930133 639104061 /nfs/dbraw/zinc/10/40/61/639104061.db2.gz SLUVYPDMDGFHSQ-CYBMUJFWSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1nnn(C)c1C ZINC000910586359 639479041 /nfs/dbraw/zinc/47/90/41/639479041.db2.gz QYBKDXJJIFXIFN-UHFFFAOYSA-N 1 0 237.307 0.570 20 30 BCEDRO Cc1ncc(NC(=O)NCC#CC[NH+](C)C)cn1 ZINC000930204945 639637336 /nfs/dbraw/zinc/63/73/36/639637336.db2.gz GPCZWLZLGZTDTD-UHFFFAOYSA-N 1 0 247.302 0.472 20 30 BCEDRO CC1(C)C[N@H+](C[C@H](O)CC#N)CC[C@@H]1O ZINC000930248575 639656072 /nfs/dbraw/zinc/65/60/72/639656072.db2.gz BEQKNKLPLGFGAZ-ZJUUUORDSA-N 1 0 212.293 0.354 20 30 BCEDRO C[C@]1(O)CCC[N@H+](C[C@H](O)CC#N)CC1 ZINC000930280394 639679879 /nfs/dbraw/zinc/67/98/79/639679879.db2.gz WUSCEKKMIQAGOD-MNOVXSKESA-N 1 0 212.293 0.498 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC(C[NH3+])CC1 ZINC000911670702 639696556 /nfs/dbraw/zinc/69/65/56/639696556.db2.gz POLBRJMHWFQRHH-LLVKDONJSA-N 1 0 212.293 0.121 20 30 BCEDRO CC[C@H]1C[N@H+](C[C@H](O)CC#N)CCCO1 ZINC000930317686 639700987 /nfs/dbraw/zinc/70/09/87/639700987.db2.gz SRSQNEZWPMBECP-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO C=C[C@@H](CC)CC(=O)NCCN1CC[NH2+]CC1 ZINC000911694368 639730814 /nfs/dbraw/zinc/73/08/14/639730814.db2.gz VOJXXWJAEFGZJX-LBPRGKRZSA-N 1 0 239.363 0.610 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@]2(C1)CCCOC2 ZINC000930376732 639738820 /nfs/dbraw/zinc/73/88/20/639738820.db2.gz NXRJKUFGCFONLC-VXGBXAGGSA-N 1 0 224.304 0.763 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000911713898 639739917 /nfs/dbraw/zinc/73/99/17/639739917.db2.gz MFGGRFYKNBMBAW-ONGXEEELSA-N 1 0 212.293 0.182 20 30 BCEDRO N#CC1(C(=O)N2CC[C@H]([NH3+])C2)CCSCC1 ZINC000911739532 639767267 /nfs/dbraw/zinc/76/72/67/639767267.db2.gz XLOMWIHWSGWYTO-VIFPVBQESA-N 1 0 239.344 0.583 20 30 BCEDRO C#CC[N@H+](Cc1ccccc1)C[C@H](O)[C@H](C)O ZINC000930476679 639772279 /nfs/dbraw/zinc/77/22/79/639772279.db2.gz RYNKPPOGERAIGY-JSGCOSHPSA-N 1 0 233.311 0.864 20 30 BCEDRO CC[NH2+]CCNC(=O)C1(C#N)CCSCC1 ZINC000911750158 639776101 /nfs/dbraw/zinc/77/61/01/639776101.db2.gz GJIWCAVGQBFATK-UHFFFAOYSA-N 1 0 241.360 0.749 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CCCC[N@H+]1C ZINC000911729938 639784074 /nfs/dbraw/zinc/78/40/74/639784074.db2.gz KLVGRVCCSXDGDK-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[C@H]1CC[NH2+]C1 ZINC000911767652 639793865 /nfs/dbraw/zinc/79/38/65/639793865.db2.gz MLJCOPFMFHLOOM-KOLCDFICSA-N 1 0 212.293 0.039 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@H](CO)C1CCCC1 ZINC000930525401 639799724 /nfs/dbraw/zinc/79/97/24/639799724.db2.gz UKFCCBBKTCZMFX-GHMZBOCLSA-N 1 0 212.293 0.402 20 30 BCEDRO Cc1cnn([C@H]2CC[N@H+](C[C@H](O)CC#N)C2)c1 ZINC000930526605 639802198 /nfs/dbraw/zinc/80/21/98/639802198.db2.gz QUVOVSRKLMRTKO-NWDGAFQWSA-N 1 0 234.303 0.713 20 30 BCEDRO C#CCNCC(=O)Nc1cccc2c1CC[NH2+]C2 ZINC000911788565 639805819 /nfs/dbraw/zinc/80/58/19/639805819.db2.gz BGKPLPWHBXYXPX-UHFFFAOYSA-N 1 0 243.310 0.494 20 30 BCEDRO CC#CC[N@H+](C)C[C@H](O)C1(O)CCCC1 ZINC000930587342 639814661 /nfs/dbraw/zinc/81/46/61/639814661.db2.gz APAVHWFKLILMED-NSHDSACASA-N 1 0 211.305 0.608 20 30 BCEDRO CC[C@H]1[C@H](CO)CC[N@@H+]1C[C@H](O)CC#N ZINC000930606888 639819000 /nfs/dbraw/zinc/81/90/00/639819000.db2.gz IZPCZJWKNODHFS-AXFHLTTASA-N 1 0 212.293 0.354 20 30 BCEDRO N#CC1CCC(C[NH2+]C(CO)CO)CC1 ZINC000930626338 639829795 /nfs/dbraw/zinc/82/97/95/639829795.db2.gz TZEWFCZKEHZIRE-UHFFFAOYSA-N 1 0 212.293 0.259 20 30 BCEDRO N#CCC(=O)N1CCN(CCOC2CC2)CC1 ZINC000930629480 639830000 /nfs/dbraw/zinc/83/00/00/639830000.db2.gz DNWRUHYKNQHNNH-UHFFFAOYSA-N 1 0 237.303 0.223 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911822729 639837670 /nfs/dbraw/zinc/83/76/70/639837670.db2.gz ZBMKLDYFIRPBQI-WCQYABFASA-N 1 0 240.347 0.947 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@H]([C@H](CO)C1CC1)C1CC1 ZINC000930639799 639837808 /nfs/dbraw/zinc/83/78/08/639837808.db2.gz MQUAAJFXKNGNHT-JHJVBQTASA-N 1 0 238.331 0.648 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)[C@H](CO)CC(C)(C)C ZINC000930648800 639843374 /nfs/dbraw/zinc/84/33/74/639843374.db2.gz AEUPNOLWUDUWRZ-WDEREUQCSA-N 1 0 228.336 0.990 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Nc1ccon1 ZINC000930658624 639850136 /nfs/dbraw/zinc/85/01/36/639850136.db2.gz USJMOMVCAZBJAV-UHFFFAOYSA-N 1 0 236.275 0.751 20 30 BCEDRO CCn1cc([C@H](C)[NH2+]C[C@H](O)CC#N)cn1 ZINC000930658251 639850260 /nfs/dbraw/zinc/85/02/60/639850260.db2.gz XVRWODZFAMCYNC-GXSJLCMTSA-N 1 0 222.292 0.828 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)CC[C@H]([NH3+])C(C)C ZINC000911871293 639852949 /nfs/dbraw/zinc/85/29/49/639852949.db2.gz RTOYLZORDSUQGG-CMPLNLGQSA-N 1 0 228.336 0.755 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000930692199 639862038 /nfs/dbraw/zinc/86/20/38/639862038.db2.gz FGGWCICAFRXFCI-GHMZBOCLSA-N 1 0 242.319 0.171 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000911888407 639868060 /nfs/dbraw/zinc/86/80/60/639868060.db2.gz RIGJINHEUOAZBC-UTUOFQBUSA-N 1 0 238.331 0.930 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000930716190 639875844 /nfs/dbraw/zinc/87/58/44/639875844.db2.gz NABDCNDRTIZJDZ-QWRGUYRKSA-N 1 0 226.320 0.334 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@]1(C)C[C@@H](O)C[NH2+]1 ZINC000911920658 639879799 /nfs/dbraw/zinc/87/97/99/639879799.db2.gz ZWARXOXRQHVDSN-ZYHUDNBSSA-N 1 0 224.304 0.300 20 30 BCEDRO C=CCNC(=O)C1([C@H](C)[NH3+])CCOCC1 ZINC000911925597 639883206 /nfs/dbraw/zinc/88/32/06/639883206.db2.gz BCAMXGHYWHHYSV-VIFPVBQESA-N 1 0 212.293 0.433 20 30 BCEDRO C[C@@H]1[C@H](CO)CCC[N@@H+]1C[C@H](O)CC#N ZINC000930738646 639887722 /nfs/dbraw/zinc/88/77/22/639887722.db2.gz IULYXKFEJZCNBG-OUAUKWLOSA-N 1 0 212.293 0.354 20 30 BCEDRO COC(=O)[C@]1(C)CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000930739287 639888591 /nfs/dbraw/zinc/88/85/91/639888591.db2.gz UWGZPLZXHDJIAJ-ZYHUDNBSSA-N 1 0 240.303 0.536 20 30 BCEDRO CC(C)[N@H+](C[C@H](O)CC#N)C[C@@H]1CCC(=O)N1 ZINC000930740820 639889934 /nfs/dbraw/zinc/88/99/34/639889934.db2.gz VZVALLJDYXHSTD-WDEREUQCSA-N 1 0 239.319 0.250 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](O)CC#N)C1 ZINC000930816041 639916792 /nfs/dbraw/zinc/91/67/92/639916792.db2.gz HWVUMIQBMQPVFA-VXGBXAGGSA-N 1 0 206.289 0.996 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H](O)[C@@H](C)O)C1 ZINC000930816332 639917097 /nfs/dbraw/zinc/91/70/97/639917097.db2.gz IXGOAVZVUCOKBG-UTUOFQBUSA-N 1 0 211.305 0.463 20 30 BCEDRO C#CC1CC[NH+](C[C@H]2CCCS2(=O)=O)CC1 ZINC000930822772 639924242 /nfs/dbraw/zinc/92/42/42/639924242.db2.gz UILJHCJKYOTUMP-GFCCVEGCSA-N 1 0 241.356 0.909 20 30 BCEDRO C#CCCC[N@H+]1[C@H](C)C(=O)N[C@H](C)[C@@H]1C ZINC000930839400 639939093 /nfs/dbraw/zinc/93/90/93/639939093.db2.gz WYXOSEDCCCIGCH-OUAUKWLOSA-N 1 0 208.305 0.997 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@@H]1C ZINC000930833387 639933413 /nfs/dbraw/zinc/93/34/13/639933413.db2.gz FTVSBLZUWCAHMF-YFKTTZPYSA-N 1 0 240.347 0.911 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@](C)(CO)OC ZINC000912052159 639938050 /nfs/dbraw/zinc/93/80/50/639938050.db2.gz RHHMWUADWQRMQX-GFCCVEGCSA-N 1 0 244.335 0.008 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)NCC ZINC000912092424 639942317 /nfs/dbraw/zinc/94/23/17/639942317.db2.gz WRVDMPUZASDCPT-VHSXEESVSA-N 1 0 241.335 0.311 20 30 BCEDRO C=CCN(Cc1cccs1)C(=O)[C@H]([NH3+])CO ZINC000912081046 639949449 /nfs/dbraw/zinc/94/94/49/639949449.db2.gz DOMLZZXTRDQUNA-SNVBAGLBSA-N 1 0 240.328 0.582 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C(COC)COC)C1 ZINC000930885160 639957223 /nfs/dbraw/zinc/95/72/23/639957223.db2.gz KFJTXIRNBLFNFE-NSHDSACASA-N 1 0 211.305 0.993 20 30 BCEDRO C[C@@H](CC#N)[NH2+]C[C@H]1CCC2(COC2)O1 ZINC000930869400 639963140 /nfs/dbraw/zinc/96/31/40/639963140.db2.gz ZGKLDPIDKYQODN-VHSXEESVSA-N 1 0 210.277 0.826 20 30 BCEDRO C#CCCCCCC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000930888885 639972681 /nfs/dbraw/zinc/97/26/81/639972681.db2.gz BXJSOEGDMJUYKT-ZDUSSCGKSA-N 1 0 238.331 0.804 20 30 BCEDRO C[C@H](O)[C@H](O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000930922498 639990261 /nfs/dbraw/zinc/99/02/61/639990261.db2.gz LFHOAWDLMKALNO-HBNTYKKESA-N 1 0 212.293 0.354 20 30 BCEDRO C[C@@H](CO)[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930967386 640004920 /nfs/dbraw/zinc/00/49/20/640004920.db2.gz WAFRDHRZFNXQPZ-TUAOUCFPSA-N 1 0 226.320 0.744 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)CCOC ZINC000912258767 640007685 /nfs/dbraw/zinc/00/76/85/640007685.db2.gz XGGOZAKNJWZKFX-SNVBAGLBSA-N 1 0 214.309 0.775 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000931020351 640024085 /nfs/dbraw/zinc/02/40/85/640024085.db2.gz BHKFOTKUPUGAKG-KXUCPTDWSA-N 1 0 210.277 0.154 20 30 BCEDRO N#CCSCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000912326372 640030920 /nfs/dbraw/zinc/03/09/20/640030920.db2.gz JNIUEZQBBOZEBD-UHFFFAOYSA-N 1 0 239.344 0.550 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC/C=C/CO ZINC000912385632 640038429 /nfs/dbraw/zinc/03/84/29/640038429.db2.gz JSIAEMWHGPSKTQ-SNAWJCMRSA-N 1 0 212.293 0.159 20 30 BCEDRO C=C(C)[C@H](CO)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931043568 640039677 /nfs/dbraw/zinc/03/96/77/640039677.db2.gz QPCJTIZNBBIUAJ-UTUOFQBUSA-N 1 0 212.337 0.948 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000931046385 640041285 /nfs/dbraw/zinc/04/12/85/640041285.db2.gz JILRGDCLTVYARI-GRYCIOLGSA-N 1 0 239.363 0.702 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931046386 640042096 /nfs/dbraw/zinc/04/20/96/640042096.db2.gz JILRGDCLTVYARI-SDDRHHMPSA-N 1 0 239.363 0.702 20 30 BCEDRO C[C@@H](C#N)N(C(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000912411260 640056059 /nfs/dbraw/zinc/05/60/59/640056059.db2.gz NKJZOHSPLVSACJ-JTQLQIEISA-N 1 0 233.315 0.985 20 30 BCEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC#N)C[C@@H]1CO ZINC000931099691 640065541 /nfs/dbraw/zinc/06/55/41/640065541.db2.gz IYFAODHVZGLFEC-GMTAPVOTSA-N 1 0 212.293 0.211 20 30 BCEDRO C#CC1(O)CC[NH+](CCC(=O)N(C)CC)CC1 ZINC000931146408 640078905 /nfs/dbraw/zinc/07/89/05/640078905.db2.gz XYJQVCLGUIAYRU-UHFFFAOYSA-N 1 0 238.331 0.315 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H]2C[C@@]23CCOC3)CC1 ZINC000931153897 640079665 /nfs/dbraw/zinc/07/96/65/640079665.db2.gz NOOLRPKLCCBUJZ-QWHCGFSZSA-N 1 0 235.327 0.873 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2[nH]c(C)nc2C)CC1 ZINC000931154660 640080613 /nfs/dbraw/zinc/08/06/13/640080613.db2.gz ZEIUXYRRLHNKIV-UHFFFAOYSA-N 1 0 233.315 0.987 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H]2C[C@]23CCOC3)CC1 ZINC000931153895 640080933 /nfs/dbraw/zinc/08/09/33/640080933.db2.gz NOOLRPKLCCBUJZ-OLZOCXBDSA-N 1 0 235.327 0.873 20 30 BCEDRO C=CCN(Cc1ccccc1)C(=O)[C@H]([NH3+])CO ZINC000912488090 640083896 /nfs/dbraw/zinc/08/38/96/640083896.db2.gz NSGSFSVSYVKTDJ-GFCCVEGCSA-N 1 0 234.299 0.521 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NCc1ccnn1C ZINC000912474962 640090007 /nfs/dbraw/zinc/09/00/07/640090007.db2.gz DVZUSVJZGMBLSS-LLVKDONJSA-N 1 0 236.319 0.720 20 30 BCEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]C[C@H](O)CC#N ZINC000931258911 640112864 /nfs/dbraw/zinc/11/28/64/640112864.db2.gz MNWZAVLEYCBSSO-RCZSTQMZSA-N 1 0 212.293 0.662 20 30 BCEDRO C=C(C)C(C)(C)C(=O)N(C)CC[N@H+](C)CCO ZINC000912599371 640120930 /nfs/dbraw/zinc/12/09/30/640120930.db2.gz PBTSJLYWUYCEND-UHFFFAOYSA-N 1 0 242.363 0.971 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912598291 640121564 /nfs/dbraw/zinc/12/15/64/640121564.db2.gz FGRFUPYWMNWMQK-GARJFASQSA-N 1 0 238.331 0.522 20 30 BCEDRO C=CCOCCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931277740 640128659 /nfs/dbraw/zinc/12/86/59/640128659.db2.gz OFBKOZIFVJYRQX-GDNZZTSVSA-N 1 0 210.321 0.681 20 30 BCEDRO C=CCNC(=O)CN1CCC(C)([NH+](C)C)CC1 ZINC000931350343 640168549 /nfs/dbraw/zinc/16/85/49/640168549.db2.gz YANXONOJTAJGBM-UHFFFAOYSA-N 1 0 239.363 0.705 20 30 BCEDRO O=S1(=O)C=C(NNc2cccc[nH+]2)CC1 ZINC000912787015 640202268 /nfs/dbraw/zinc/20/22/68/640202268.db2.gz WSZWBZINMRALER-UHFFFAOYSA-N 1 0 225.273 0.668 20 30 BCEDRO CON=CC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912873538 640228384 /nfs/dbraw/zinc/22/83/84/640228384.db2.gz PLDIWMMGEQUILI-UHFFFAOYSA-N 1 0 225.292 0.315 20 30 BCEDRO CO[C@H]1CC[C@H](C)[N@H+](C[C@H](O)CC#N)C1 ZINC000931475292 640230663 /nfs/dbraw/zinc/23/06/63/640230663.db2.gz RRHCSTPIDYQWRI-AXFHLTTASA-N 1 0 212.293 0.760 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912906975 640234264 /nfs/dbraw/zinc/23/42/64/640234264.db2.gz CPSGNVMIAFPGAS-YPMHNXCESA-N 1 0 238.331 0.620 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000931507501 640238129 /nfs/dbraw/zinc/23/81/29/640238129.db2.gz AIASYJAGGBUJEQ-RISCZKNCSA-N 1 0 248.326 0.774 20 30 BCEDRO C[C@H](O)[C@@H](O)C[N@H+](C)CCc1cccc(C#N)c1 ZINC000931507500 640239172 /nfs/dbraw/zinc/23/91/72/640239172.db2.gz AIASYJAGGBUJEQ-FZMZJTMJSA-N 1 0 248.326 0.774 20 30 BCEDRO N#CCCN1CCc2[nH+]ccc(N)c2C1 ZINC000931512308 640244075 /nfs/dbraw/zinc/24/40/75/640244075.db2.gz MTKOQPPVWVNXRA-UHFFFAOYSA-N 1 0 202.261 0.936 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CCc2[nH+]ccc(N)c2C1 ZINC000931516789 640247461 /nfs/dbraw/zinc/24/74/61/640247461.db2.gz BCADUCCYXXXEQD-GFCCVEGCSA-N 1 0 247.298 0.750 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912905038 640249185 /nfs/dbraw/zinc/24/91/85/640249185.db2.gz XWPHMGGFIVOEKD-JQWIXIFHSA-N 1 0 224.304 0.230 20 30 BCEDRO CC1(C)C[C@H](O)C[N@H+](C[C@H](O)CC#N)C1 ZINC000931552467 640270954 /nfs/dbraw/zinc/27/09/54/640270954.db2.gz YENXQZFQADQFEB-ZJUUUORDSA-N 1 0 212.293 0.354 20 30 BCEDRO C=CC[NH+]1CCC(N2C(=O)N[C@H](C)C2=O)CC1 ZINC000348915897 640282519 /nfs/dbraw/zinc/28/25/19/640282519.db2.gz URIIEOUMSZPAJW-SECBINFHSA-N 1 0 237.303 0.577 20 30 BCEDRO CC#CC[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931636971 640299185 /nfs/dbraw/zinc/29/91/85/640299185.db2.gz YSQNQETZEVWQTD-JTQLQIEISA-N 1 0 213.277 0.065 20 30 BCEDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CCCSCC#N ZINC000931660615 640306775 /nfs/dbraw/zinc/30/67/75/640306775.db2.gz QKXIWNOIKVNWDI-VIFPVBQESA-N 1 0 241.360 0.747 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H]1COCCC1(OC)OC ZINC000931673688 640306790 /nfs/dbraw/zinc/30/67/90/640306790.db2.gz UDSUHSMZDPEMIG-QWRGUYRKSA-N 1 0 245.319 0.291 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931660572 640307054 /nfs/dbraw/zinc/30/70/54/640307054.db2.gz QCWOWAMRJGWUSO-UWVGGRQHSA-N 1 0 226.320 0.428 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000931702838 640326192 /nfs/dbraw/zinc/32/61/92/640326192.db2.gz QYAZLZWGQVKPOT-UTUOFQBUSA-N 1 0 224.304 0.952 20 30 BCEDRO C=CCC1(O)CC[NH+](C[C@H](O)CC#N)CC1 ZINC000931751164 640349408 /nfs/dbraw/zinc/34/94/08/640349408.db2.gz TWRJGADQGAFTOL-LLVKDONJSA-N 1 0 224.304 0.664 20 30 BCEDRO CC[C@H](CO)[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000931773447 640365924 /nfs/dbraw/zinc/36/59/24/640365924.db2.gz TUZYOAHUONAXPM-NEPJUHHUSA-N 1 0 247.298 0.445 20 30 BCEDRO Cc1ccc(C(=O)NCC#CC[NH+](C)C)nc1C ZINC000913523441 640379563 /nfs/dbraw/zinc/37/95/63/640379563.db2.gz ZXEYKMSDEXULFI-UHFFFAOYSA-N 1 0 245.326 0.993 20 30 BCEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913525014 640379902 /nfs/dbraw/zinc/37/99/02/640379902.db2.gz HEMIZYYQDRETSV-MROQNXINSA-N 1 0 234.343 0.960 20 30 BCEDRO Cc1ccoc1C(=O)NCC#CC[NH+](C)C ZINC000913516000 640380623 /nfs/dbraw/zinc/38/06/23/640380623.db2.gz WDWINXMSGRGAEC-UHFFFAOYSA-N 1 0 220.272 0.883 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCCCO1 ZINC000913519914 640381429 /nfs/dbraw/zinc/38/14/29/640381429.db2.gz UNBIWROEJAPYSX-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO COCCC[C@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913520434 640381531 /nfs/dbraw/zinc/38/15/31/640381531.db2.gz OZKORAWCGAWIHB-LBPRGKRZSA-N 1 0 240.347 0.730 20 30 BCEDRO C[C@H]1C[C@@H](C(=O)NCC#CC[NH+](C)C)CCO1 ZINC000913520146 640381590 /nfs/dbraw/zinc/38/15/90/640381590.db2.gz FNNOKUNCBLCYTC-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@@H](O)C(C)(C)C ZINC000913520156 640381821 /nfs/dbraw/zinc/38/18/21/640381821.db2.gz FYUKDIRSHCFWGR-SNVBAGLBSA-N 1 0 226.320 0.075 20 30 BCEDRO C[C@@H]1OCC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913520116 640382246 /nfs/dbraw/zinc/38/22/46/640382246.db2.gz CZLDMFYQKWKRBH-WDEREUQCSA-N 1 0 224.304 0.093 20 30 BCEDRO Cc1ccc(CC(=O)NCC#CC[NH+](C)C)o1 ZINC000913520641 640382288 /nfs/dbraw/zinc/38/22/88/640382288.db2.gz WBPNUJKLSWNKTC-UHFFFAOYSA-N 1 0 234.299 0.812 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)NCC#CC[NH+](C)C)CCO1 ZINC000913520147 640382425 /nfs/dbraw/zinc/38/24/25/640382425.db2.gz FNNOKUNCBLCYTC-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1SCCS1 ZINC000913520068 640382830 /nfs/dbraw/zinc/38/28/30/640382830.db2.gz BGWADIOBBPYAJD-UHFFFAOYSA-N 1 0 244.385 0.474 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CCCCS1 ZINC000913521302 640383174 /nfs/dbraw/zinc/38/31/74/640383174.db2.gz SUMHVIRBXLOYNO-LLVKDONJSA-N 1 0 240.372 0.953 20 30 BCEDRO CSC1(C(=O)NCC#CC[NH+](C)C)CCC1 ZINC000913521489 640383267 /nfs/dbraw/zinc/38/32/67/640383267.db2.gz AXSJDXXFBNYOOL-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)/C=C\c1ccc[nH]1 ZINC000913521383 640383549 /nfs/dbraw/zinc/38/35/49/640383549.db2.gz WWVOYTRWUSMJDY-FPLPWBNLSA-N 1 0 231.299 0.709 20 30 BCEDRO CC(C)[C@H](F)C(=O)NCC#CC[NH+](C)C ZINC000913521213 640383755 /nfs/dbraw/zinc/38/37/55/640383755.db2.gz PDBHCEYAATWGBU-JTQLQIEISA-N 1 0 214.284 0.662 20 30 BCEDRO C[C@H](C(=O)NCC#CC[NH+](C)C)C(C)(F)F ZINC000913522611 640384027 /nfs/dbraw/zinc/38/40/27/640384027.db2.gz QTJGLTHMIZWJPW-SECBINFHSA-N 1 0 232.274 0.959 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CCO[C@@H](C)CC2)C1=O ZINC000932338650 640482172 /nfs/dbraw/zinc/48/21/72/640482172.db2.gz CTGDVUBCTLPPBK-RYUDHWBXSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CC[N@H+](C[C@H](O)CC1(O)CCC1)C(C)C ZINC000932384236 640510908 /nfs/dbraw/zinc/51/09/08/640510908.db2.gz NVEFGLZWTLGTOW-GFCCVEGCSA-N 1 0 225.332 0.996 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@H](c1ccccn1)C1CC1 ZINC000932383533 640511188 /nfs/dbraw/zinc/51/11/88/640511188.db2.gz XTHKZPLWVVGBAZ-ZDUSSCGKSA-N 1 0 244.298 0.762 20 30 BCEDRO C#CC[N@H+](C[C@H](O)C1(O)CCOCC1)C(C)C ZINC000932386258 640512584 /nfs/dbraw/zinc/51/25/84/640512584.db2.gz OCQBJSSPNLYDOW-LBPRGKRZSA-N 1 0 241.331 0.232 20 30 BCEDRO C#CC[N@H+](C[C@@H](O)C1(O)CCC1)C(C)C ZINC000932384526 640514305 /nfs/dbraw/zinc/51/43/05/640514305.db2.gz SHNPEZCJMCWESR-LLVKDONJSA-N 1 0 211.305 0.606 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C[C@@H]1C ZINC000947080539 640519136 /nfs/dbraw/zinc/51/91/36/640519136.db2.gz LOFHNISFSGZOFV-WDEREUQCSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C[C@@H]1C ZINC000947080538 640520043 /nfs/dbraw/zinc/52/00/43/640520043.db2.gz LOFHNISFSGZOFV-QWRGUYRKSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C[C@H]1C ZINC000947080536 640521074 /nfs/dbraw/zinc/52/10/74/640521074.db2.gz LOFHNISFSGZOFV-GHMZBOCLSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[N@H+](CC(=O)N1CCC1)C(C)(C)C ZINC000932463202 640536026 /nfs/dbraw/zinc/53/60/26/640536026.db2.gz AWHREEOUNJCFBT-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CC[N@@H+](CC(=O)NCCOCC)C(C)(C)C ZINC000932464746 640537132 /nfs/dbraw/zinc/53/71/32/640537132.db2.gz UINOGTUKYDOHLW-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CC[N@@H+](CCNS(C)(=O)=O)C(C)(C)C ZINC000932464986 640537822 /nfs/dbraw/zinc/53/78/22/640537822.db2.gz VXNBPWCPWRTQEL-UHFFFAOYSA-N 1 0 232.349 0.269 20 30 BCEDRO C=C(C)CN1CC(NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001030070841 640574051 /nfs/dbraw/zinc/57/40/51/640574051.db2.gz DODXZRUGMMVFOL-UHFFFAOYSA-N 1 0 248.286 0.172 20 30 BCEDRO C=CCCN1CC(NC(=O)c2cnc(C)cn2)C1 ZINC001030070871 640576514 /nfs/dbraw/zinc/57/65/14/640576514.db2.gz DYMAJUXFVDAJQU-UHFFFAOYSA-N 1 0 246.314 0.775 20 30 BCEDRO CCOC(=O)[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000932639821 640592929 /nfs/dbraw/zinc/59/29/29/640592929.db2.gz RVXADFJSKVQPOV-NSHDSACASA-N 1 0 240.303 0.802 20 30 BCEDRO CCOC(=O)[C@H]1CC[N@H+](CC#CCOC)C1 ZINC000932647598 640600689 /nfs/dbraw/zinc/60/06/89/640600689.db2.gz ZLMGHAYGEAWWRV-NSHDSACASA-N 1 0 225.288 0.521 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)c2ccon2)C[C@H]1C ZINC000947088531 640610689 /nfs/dbraw/zinc/61/06/89/640610689.db2.gz GRBTYPJDRCSXKS-MNOVXSKESA-N 1 0 247.298 0.891 20 30 BCEDRO C#CCCNC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000932791730 640612117 /nfs/dbraw/zinc/61/21/17/640612117.db2.gz VXJGTBLSJYVABF-LLVKDONJSA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(C)CN1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030156276 640640170 /nfs/dbraw/zinc/64/01/70/640640170.db2.gz WNVLCEHVWQEXBP-LBPRGKRZSA-N 1 0 237.347 0.457 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932933627 640646769 /nfs/dbraw/zinc/64/67/69/640646769.db2.gz IKKRAJJUSIEDTG-AKJDGMEZSA-N 1 0 238.331 0.796 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932952528 640652487 /nfs/dbraw/zinc/65/24/87/640652487.db2.gz PIZDAMDWKIAZSC-JTQLQIEISA-N 1 0 230.333 0.010 20 30 BCEDRO C#CC[NH+]1CCC2(CC1)C[C@H](O)CCO2 ZINC000933067335 640664965 /nfs/dbraw/zinc/66/49/65/640664965.db2.gz TZQCGHUAZJIPAK-LLVKDONJSA-N 1 0 209.289 0.626 20 30 BCEDRO CNC(=O)C(C)(C)CNC(=[NH2+])NCC1CCC1 ZINC000157375680 640669361 /nfs/dbraw/zinc/66/93/61/640669361.db2.gz YTIVFSYINZHBOX-UHFFFAOYSA-N 1 0 240.351 0.463 20 30 BCEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])N(CC)CC ZINC000157404115 640672968 /nfs/dbraw/zinc/67/29/68/640672968.db2.gz DMIMCUUZFPGZOL-UHFFFAOYSA-N 1 0 242.367 0.805 20 30 BCEDRO C#CCC1([NH2+]CCCS(N)(=O)=O)CCC1 ZINC000933295220 640701322 /nfs/dbraw/zinc/70/13/22/640701322.db2.gz RUIKDIXODTYVKD-UHFFFAOYSA-N 1 0 230.333 0.201 20 30 BCEDRO CC[C@H]1C(=O)NCCC[N@H+]1CCO[C@H](C)C#N ZINC000933231460 640688524 /nfs/dbraw/zinc/68/85/24/640688524.db2.gz YKOAFUVEIBFTJS-MNOVXSKESA-N 1 0 239.319 0.516 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@H]1C(=O)NCC1(CC)CC ZINC000933289296 640698588 /nfs/dbraw/zinc/69/85/88/640698588.db2.gz NRLJZKZQMFARNK-MNOVXSKESA-N 1 0 240.347 0.818 20 30 BCEDRO C#CCC1([NH2+]C[C@@H](C)S(C)(=O)=O)CCC1 ZINC000933294140 640699408 /nfs/dbraw/zinc/69/94/08/640699408.db2.gz GRCMWCBOGAVMDG-SNVBAGLBSA-N 1 0 229.345 0.955 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H]1C(=O)NCC1(CC)CC ZINC000933289297 640699516 /nfs/dbraw/zinc/69/95/16/640699516.db2.gz NRLJZKZQMFARNK-QWRGUYRKSA-N 1 0 240.347 0.818 20 30 BCEDRO C#CCC1([NH2+]C[C@@H](O)C2(O)CCC2)CCC1 ZINC000933295473 640701099 /nfs/dbraw/zinc/70/10/99/640701099.db2.gz WWDWXOVPNDMOLN-LLVKDONJSA-N 1 0 223.316 0.798 20 30 BCEDRO C#CCC1([NH2+]CCC(=O)N(C)OC)CCC1 ZINC000933297005 640701395 /nfs/dbraw/zinc/70/13/95/640701395.db2.gz VEOJFKLPMGWOJK-UHFFFAOYSA-N 1 0 224.304 0.932 20 30 BCEDRO C#CCC1([NH2+]C[C@@H](O)Cn2cccn2)CCC1 ZINC000933301351 640702425 /nfs/dbraw/zinc/70/24/25/640702425.db2.gz NHQFCXLXSLQKHH-GFCCVEGCSA-N 1 0 233.315 0.780 20 30 BCEDRO C=C(C)CC[N@H+]1C[C@@H](C)[C@H](CS(N)(=O)=O)C1 ZINC000933701343 640747590 /nfs/dbraw/zinc/74/75/90/640747590.db2.gz ZZOWOBNEYQXPSN-MNOVXSKESA-N 1 0 246.376 0.809 20 30 BCEDRO C=C(Br)CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000168303848 640799469 /nfs/dbraw/zinc/79/94/69/640799469.db2.gz LHXQCASEHJPHFQ-RNFRBKRXSA-N 1 0 235.125 0.995 20 30 BCEDRO CCCCCCCCNC(=[NH2+])NCC(=O)NC ZINC000170907027 640935163 /nfs/dbraw/zinc/93/51/63/640935163.db2.gz OSSJNMLTDKYNRE-UHFFFAOYSA-N 1 0 242.367 0.997 20 30 BCEDRO CN(C)C(=[NH2+])NCCCN(C)CC(F)(F)F ZINC000170905585 640936220 /nfs/dbraw/zinc/93/62/20/640936220.db2.gz YEWDPQYVYRRZSB-UHFFFAOYSA-N 1 0 240.273 0.747 20 30 BCEDRO C=C[C@H](C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000229246767 640940910 /nfs/dbraw/zinc/94/09/10/640940910.db2.gz RHAWPTZQJSMUBD-VIFPVBQESA-N 1 0 232.349 0.480 20 30 BCEDRO C=C[C@H](C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000229247048 640941707 /nfs/dbraw/zinc/94/17/07/640941707.db2.gz VFAGNHNHKNZQJB-DTWKUNHWSA-N 1 0 218.322 0.232 20 30 BCEDRO CNC(NCc1ccc(OCC#N)cc1)=[NH+]C ZINC000171043146 640952799 /nfs/dbraw/zinc/95/27/99/640952799.db2.gz UZLULKQHIFVVLV-UHFFFAOYSA-N 1 0 232.287 0.884 20 30 BCEDRO C=CCSCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599910183 640966629 /nfs/dbraw/zinc/96/66/29/640966629.db2.gz MAWRWEMIISWMPH-VHSXEESVSA-N 1 0 243.376 0.955 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@](C)(OC)C1 ZINC000230282073 641045084 /nfs/dbraw/zinc/04/50/84/641045084.db2.gz BHOUMCQKFFUBQJ-LBPRGKRZSA-N 1 0 224.304 0.237 20 30 BCEDRO CO[C@@H]1CC[C@@H]1[N@H+](C)CC(=O)NCCC#N ZINC000934128306 641085180 /nfs/dbraw/zinc/08/51/80/641085180.db2.gz RNWYMNNTYNFNHY-VHSXEESVSA-N 1 0 225.292 0.125 20 30 BCEDRO C[C@@H](Cc1cccnc1)[NH2+]CC(=O)NCC#N ZINC000934235431 641111754 /nfs/dbraw/zinc/11/17/54/641111754.db2.gz UVVYRDCWKJQXCG-JTQLQIEISA-N 1 0 232.287 0.242 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934265396 641115105 /nfs/dbraw/zinc/11/51/05/641115105.db2.gz YAYNFBNDLCMNEE-UONOGXRCSA-N 1 0 236.359 0.931 20 30 BCEDRO COCCNC(=[NH2+])NCCC(=O)OC(C)(C)C ZINC000172838075 641118009 /nfs/dbraw/zinc/11/80/09/641118009.db2.gz YBQUQBOAOOGMFM-UHFFFAOYSA-N 1 0 245.323 0.269 20 30 BCEDRO C[C@H]1CSCCC[N@@H+]1CC(=O)NCC#N ZINC000934299964 641120964 /nfs/dbraw/zinc/12/09/64/641120964.db2.gz MUYIPWQDZRXRQV-VIFPVBQESA-N 1 0 227.333 0.454 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000934355540 641132201 /nfs/dbraw/zinc/13/22/01/641132201.db2.gz RGDUKKKFKUBPFV-PHIMTYICSA-N 1 0 221.304 0.748 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](C)CC1 ZINC000068837712 641148443 /nfs/dbraw/zinc/14/84/43/641148443.db2.gz GDQZZGFSHPAEAU-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@@H](O)CN(C)CCOC ZINC000934464075 641150374 /nfs/dbraw/zinc/15/03/74/641150374.db2.gz MCLAEJNBUSOOMQ-STQMWFEESA-N 1 0 242.363 0.576 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCC(=O)NCC(=O)OC ZINC000934469713 641164217 /nfs/dbraw/zinc/16/42/17/641164217.db2.gz YNZUMTCNYHGLLH-SNVBAGLBSA-N 1 0 240.303 0.316 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1CCN1C(=O)CNC1=O ZINC000934510581 641177519 /nfs/dbraw/zinc/17/75/19/641177519.db2.gz AQGKDXHONSCLMP-JTQLQIEISA-N 1 0 235.287 0.026 20 30 BCEDRO C#C[C@@H]1CCCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000934511274 641178200 /nfs/dbraw/zinc/17/82/00/641178200.db2.gz LWPCBECMDIWDSM-KGLIPLIRSA-N 1 0 236.359 0.931 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1C[C@@H](O)Cn1cccn1 ZINC000934511849 641178718 /nfs/dbraw/zinc/17/87/18/641178718.db2.gz VHKGYXCBWKGEFP-QWHCGFSZSA-N 1 0 233.315 0.732 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1cccs1 ZINC000088318362 641180233 /nfs/dbraw/zinc/18/02/33/641180233.db2.gz AERKCJUPLRYVGO-UHFFFAOYSA-N 1 0 208.286 0.587 20 30 BCEDRO C#C[C@@H]1CCCC[N@@H+]1C[C@H]1COCCO1 ZINC000934515924 641185033 /nfs/dbraw/zinc/18/50/33/641185033.db2.gz UKDGPTVNGADZHH-NEPJUHHUSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCCC[C@@H]1C#C ZINC000934517158 641187562 /nfs/dbraw/zinc/18/75/62/641187562.db2.gz UDEVKWJZGVODNI-LBPRGKRZSA-N 1 0 218.300 0.614 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H](c1ccncc1)C1CC1 ZINC000934691673 641247756 /nfs/dbraw/zinc/24/77/56/641247756.db2.gz KFBCNKTVJLAFKQ-CYBMUJFWSA-N 1 0 244.298 0.762 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2CSC[C@]2(C)C1 ZINC000934779350 641269949 /nfs/dbraw/zinc/26/99/49/641269949.db2.gz RZXTYUSEVCIPMG-PWSUYJOCSA-N 1 0 238.356 0.421 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CC[NH2+][C@H](C)C1 ZINC000088060307 641311296 /nfs/dbraw/zinc/31/12/96/641311296.db2.gz MKWDAEGPMPKDQO-GFCCVEGCSA-N 1 0 237.347 0.481 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CCC[C@H](CCO)C1 ZINC000929530767 641347513 /nfs/dbraw/zinc/34/75/13/641347513.db2.gz MYVBXFSINCKRRL-GHMZBOCLSA-N 1 0 212.293 0.355 20 30 BCEDRO CC#CCNC(=O)COC1CC[NH+](C)CC1 ZINC000935142428 641348023 /nfs/dbraw/zinc/34/80/23/641348023.db2.gz AXVTXRKQZTYPJU-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C=C1CC[NH+](C[C@@H](O)C2(O)CCOCC2)CC1 ZINC000929604038 641375067 /nfs/dbraw/zinc/37/50/67/641375067.db2.gz NVXKCALUEFFCHQ-GFCCVEGCSA-N 1 0 241.331 0.541 20 30 BCEDRO C=C1CC[NH+](C[C@@H](O)C2(O)CCC2)CC1 ZINC000929602889 641375533 /nfs/dbraw/zinc/37/55/33/641375533.db2.gz FMUPXUIWJDSWBH-LLVKDONJSA-N 1 0 211.305 0.914 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913628500 641431720 /nfs/dbraw/zinc/43/17/20/641431720.db2.gz GADLHMAHSKFHFH-LLVKDONJSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCOCC(=O)NC12CC[NH+](CC1)C2 ZINC000913629031 641432832 /nfs/dbraw/zinc/43/28/32/641432832.db2.gz VFVRHRASLXPVNE-UHFFFAOYSA-N 1 0 210.277 0.153 20 30 BCEDRO CC(C)C#CC(=O)NC12CC[NH+](CC1)C2 ZINC000913635076 641437868 /nfs/dbraw/zinc/43/78/68/641437868.db2.gz PTWWNOMCGGBDLT-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N=S(C)(C)=O ZINC000913639274 641441118 /nfs/dbraw/zinc/44/11/18/641441118.db2.gz IKWHULTXGQLXIP-UHFFFAOYSA-N 1 0 218.322 0.749 20 30 BCEDRO C#C[C@@H](CC)NC(=O)COC1CC[NH+](C)CC1 ZINC000935630804 641450605 /nfs/dbraw/zinc/45/06/05/641450605.db2.gz OCLLINBEUMAOTP-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCn2ccnc21 ZINC000913671541 641455217 /nfs/dbraw/zinc/45/52/17/641455217.db2.gz VTARWCMOWRTMQU-UHFFFAOYSA-N 1 0 220.276 0.348 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000936062987 641529004 /nfs/dbraw/zinc/52/90/04/641529004.db2.gz WPTCLFLGMRGCPW-VXGBXAGGSA-N 1 0 238.331 0.360 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nn1nnc(C)c1C ZINC000914026676 641551219 /nfs/dbraw/zinc/55/12/19/641551219.db2.gz JTRUPIYNLGMUAE-UHFFFAOYSA-N 1 0 237.307 0.473 20 30 BCEDRO CC#CCC[N@@H+](CCOC)CCC(=O)OC ZINC000155698965 641577934 /nfs/dbraw/zinc/57/79/34/641577934.db2.gz PIAMSSRUJHIQMC-UHFFFAOYSA-N 1 0 227.304 0.911 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CC[C@@H](O)CC1 ZINC000914193962 641610032 /nfs/dbraw/zinc/61/00/32/641610032.db2.gz RHXWMMMFTFWYNW-PHIMTYICSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCCC[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000158719857 641646186 /nfs/dbraw/zinc/64/61/86/641646186.db2.gz HWUQODOBXCHNQR-NSHDSACASA-N 1 0 211.305 0.872 20 30 BCEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000159252387 641673441 /nfs/dbraw/zinc/67/34/41/641673441.db2.gz HVTZHNMNVAUDGA-QWRGUYRKSA-N 1 0 239.319 0.252 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)C2CC2)[C@@H]1C ZINC000992972754 641687919 /nfs/dbraw/zinc/68/79/19/641687919.db2.gz FHCGMSDEUXWOFX-JQWIXIFHSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925415214 641733801 /nfs/dbraw/zinc/73/38/01/641733801.db2.gz DRWMINNPDKOXTG-UWVGGRQHSA-N 1 0 209.293 0.354 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C[C@H]1C ZINC000947819773 641759533 /nfs/dbraw/zinc/75/95/33/641759533.db2.gz FYWPVZGOMOLVGZ-NXEZZACHSA-N 1 0 249.318 0.573 20 30 BCEDRO Cc1ccc(-c2n[nH]cc2C=NNC(N)=[NH2+])o1 ZINC000915049390 641793974 /nfs/dbraw/zinc/79/39/74/641793974.db2.gz RFFVRQOHJJULHG-UHFFFAOYSA-N 1 0 232.247 0.795 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc(-n2cncn2)cc1 ZINC000915049785 641794056 /nfs/dbraw/zinc/79/40/56/641794056.db2.gz XXSBMNJDDBHVRQ-UHFFFAOYSA-N 1 0 229.247 0.084 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(C)cc1O ZINC000915051273 641795517 /nfs/dbraw/zinc/79/55/17/641795517.db2.gz ZWKZITBBIMIXNZ-UHFFFAOYSA-N 1 0 206.249 0.908 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000915152849 641804444 /nfs/dbraw/zinc/80/44/44/641804444.db2.gz IIHBYNPSIQYPHP-MNOVXSKESA-N 1 0 241.335 0.010 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000915152850 641804514 /nfs/dbraw/zinc/80/45/14/641804514.db2.gz IIHBYNPSIQYPHP-QWRGUYRKSA-N 1 0 241.335 0.010 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCCC[NH+](C)C ZINC000732306379 641829218 /nfs/dbraw/zinc/82/92/18/641829218.db2.gz PHKUAQBSGJTYQB-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C=C(Cl)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000077887665 641886692 /nfs/dbraw/zinc/88/66/92/641886692.db2.gz KNJOHZABPVIFNN-MRVPVSSYSA-N 1 0 217.700 0.822 20 30 BCEDRO NC(=[NH2+])N=NC1CCN(c2ccccn2)CC1 ZINC000915959395 641888179 /nfs/dbraw/zinc/88/81/79/641888179.db2.gz PTCZTRLHRWRCGW-UHFFFAOYSA-N 1 0 232.291 0.521 20 30 BCEDRO C=CCNC(=S)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000916025553 641898160 /nfs/dbraw/zinc/89/81/60/641898160.db2.gz BYHBCWPKIIGIGM-JTQLQIEISA-N 1 0 227.377 0.978 20 30 BCEDRO C[C@@H](CNS(=O)(=O)CC(C)(C)C#N)[NH+](C)C ZINC000916114937 641909445 /nfs/dbraw/zinc/90/94/45/641909445.db2.gz FLFQJBBHAXOLJR-VIFPVBQESA-N 1 0 247.364 0.406 20 30 BCEDRO CC[C@H](CO)[NH2+]CC(=O)N[C@](C)(C#N)C(C)C ZINC000916570835 641948523 /nfs/dbraw/zinc/94/85/23/641948523.db2.gz XDQDUJGBEVNMGE-ZYHUDNBSSA-N 1 0 241.335 0.401 20 30 BCEDRO C#CC[C@@H]1CCN(C(=O)NC[C@H]2CC[N@H+]2C)C1 ZINC000925431734 641984233 /nfs/dbraw/zinc/98/42/33/641984233.db2.gz JRLXTQFHLVBVCD-VXGBXAGGSA-N 1 0 235.331 0.745 20 30 BCEDRO C[NH+](C)C1CCN(CC(=O)NCCC#N)CC1 ZINC000917052612 641997028 /nfs/dbraw/zinc/99/70/28/641997028.db2.gz GQARHEHDJLCQJE-UHFFFAOYSA-N 1 0 238.335 0.042 20 30 BCEDRO C=CCCN1CC(NC(=O)C[NH+]2CCCC2)C1 ZINC001031390291 642059252 /nfs/dbraw/zinc/05/92/52/642059252.db2.gz KAFQUNDLADKKBB-UHFFFAOYSA-N 1 0 237.347 0.459 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC2CN(CC)C2)CC1 ZINC001031434771 642138269 /nfs/dbraw/zinc/13/82/69/642138269.db2.gz DTCNZNKEGSADON-UHFFFAOYSA-N 1 0 249.358 0.152 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)C2=COCCO2)C1 ZINC001031527943 642273735 /nfs/dbraw/zinc/27/37/35/642273735.db2.gz NDQYGLFEWRDNFP-UHFFFAOYSA-N 1 0 238.287 0.109 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cnn(C)c2)C1 ZINC001031539317 642285147 /nfs/dbraw/zinc/28/51/47/642285147.db2.gz DTFSVDXSELRWRU-UHFFFAOYSA-N 1 0 248.330 0.658 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2cnn(C)c2)C1 ZINC001031539684 642285937 /nfs/dbraw/zinc/28/59/37/642285937.db2.gz QCIWLCATIQBSOP-UHFFFAOYSA-N 1 0 248.330 0.658 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ccon2)C1 ZINC001031561512 642306123 /nfs/dbraw/zinc/30/61/23/642306123.db2.gz PKGLIPJRVHXFCU-UHFFFAOYSA-N 1 0 221.260 0.522 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001031562141 642307268 /nfs/dbraw/zinc/30/72/68/642307268.db2.gz JNUVLICXIFGTDY-UHFFFAOYSA-N 1 0 248.330 0.956 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC2CC2)C1 ZINC001021765859 642313188 /nfs/dbraw/zinc/31/31/88/642313188.db2.gz AWBYMSVIQVULCV-PHIMTYICSA-N 1 0 206.289 0.657 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC000971185628 642318699 /nfs/dbraw/zinc/31/86/99/642318699.db2.gz VNUYJZBKQHAKOT-NSHDSACASA-N 1 0 248.330 0.752 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccnc2)C1 ZINC001021773399 642319216 /nfs/dbraw/zinc/31/92/16/642319216.db2.gz PEWCJUGGHUTWSI-TXEJJXNPSA-N 1 0 229.283 0.565 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2ccon2)C1 ZINC001031567469 642319232 /nfs/dbraw/zinc/31/92/32/642319232.db2.gz ZRHNCEOKDKYAPP-UHFFFAOYSA-N 1 0 233.271 0.360 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cncs2)C1 ZINC001031567560 642319522 /nfs/dbraw/zinc/31/95/22/642319522.db2.gz SDBSULSZCFBECC-UHFFFAOYSA-N 1 0 237.328 0.991 20 30 BCEDRO C#CCN1CC(CNC(=O)[C@@H]2CCCOC2)C1 ZINC001031569470 642323295 /nfs/dbraw/zinc/32/32/95/642323295.db2.gz FCQDZRYXIHDIOD-GFCCVEGCSA-N 1 0 236.315 0.094 20 30 BCEDRO CC[N@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000971211068 642325768 /nfs/dbraw/zinc/32/57/68/642325768.db2.gz MQMDDGPEAVNVSP-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnccn2)C1 ZINC001021786143 642331269 /nfs/dbraw/zinc/33/12/69/642331269.db2.gz ZWDFYCWWODMZEQ-PHIMTYICSA-N 1 0 246.314 0.903 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC000971340325 642363283 /nfs/dbraw/zinc/36/32/83/642363283.db2.gz LUHCQYXSIRILJN-NSHDSACASA-N 1 0 248.330 0.752 20 30 BCEDRO C=CCCC[N@@H+](C)CCS(N)(=O)=O ZINC000077318157 642369227 /nfs/dbraw/zinc/36/92/27/642369227.db2.gz KPPDOYFZLBGSHM-UHFFFAOYSA-N 1 0 206.311 0.173 20 30 BCEDRO CCN(CC#CCOC)C(C)(C)C(=O)OC ZINC000933192970 642381457 /nfs/dbraw/zinc/38/14/57/642381457.db2.gz IBLNNLJRIGOIEN-UHFFFAOYSA-N 1 0 227.304 0.910 20 30 BCEDRO CC(C)[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031619050 642390674 /nfs/dbraw/zinc/39/06/74/642390674.db2.gz IWUWVRIPRSZNLC-UHFFFAOYSA-N 1 0 246.314 0.956 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2cccn2)C1 ZINC001021836519 642393496 /nfs/dbraw/zinc/39/34/96/642393496.db2.gz RWFYHBUHHVFTHV-PHIMTYICSA-N 1 0 234.303 0.306 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cncnc2)C1 ZINC000971390577 642396489 /nfs/dbraw/zinc/39/64/89/642396489.db2.gz DFHGXIHYFPVOPD-GFCCVEGCSA-N 1 0 244.298 0.256 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCOC12CCOCC2 ZINC000926141786 642397895 /nfs/dbraw/zinc/39/78/95/642397895.db2.gz LEULVPYSFZKBQK-LBPRGKRZSA-N 1 0 239.315 0.564 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C)nc2)C1 ZINC001021840717 642398092 /nfs/dbraw/zinc/39/80/92/642398092.db2.gz RVQQQZUAJVDCDD-BETUJISGSA-N 1 0 243.310 0.874 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2scnc2C)C1 ZINC001021860195 642412021 /nfs/dbraw/zinc/41/20/21/642412021.db2.gz KJKXMXJVYOOQKL-AOOOYVTPSA-N 1 0 249.339 0.935 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnsn2)C1 ZINC001021867633 642414500 /nfs/dbraw/zinc/41/45/00/642414500.db2.gz WQOFBQRJWCFZCZ-OCAPTIKFSA-N 1 0 236.300 0.022 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001021870931 642421531 /nfs/dbraw/zinc/42/15/31/642421531.db2.gz DWBYQLSGIDYZOM-AOOOYVTPSA-N 1 0 232.287 0.202 20 30 BCEDRO CC(C)C[C@@H]1C[N@H+](C)CCN1C[C@H](O)CC#N ZINC000933252494 642421569 /nfs/dbraw/zinc/42/15/69/642421569.db2.gz WXENRLBFSPTPEE-CHWSQXEVSA-N 1 0 239.363 0.923 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2nccn2CC)C1 ZINC001031636192 642423271 /nfs/dbraw/zinc/42/32/71/642423271.db2.gz OPDRALDHSGTCJJ-UHFFFAOYSA-N 1 0 248.330 0.751 20 30 BCEDRO C[NH+]1CCN(c2ccc(C#N)cc2CO)CC1 ZINC000891391238 642458201 /nfs/dbraw/zinc/45/82/01/642458201.db2.gz UEVYEKWSCAFMHX-UHFFFAOYSA-N 1 0 231.299 0.802 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001021921061 642458635 /nfs/dbraw/zinc/45/86/35/642458635.db2.gz VGMZTFVXCZQEHR-TXEJJXNPSA-N 1 0 248.330 0.765 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cncc(F)c2)C1 ZINC001021956210 642465761 /nfs/dbraw/zinc/46/57/61/642465761.db2.gz AOXPUEMJCIUDEG-TXEJJXNPSA-N 1 0 247.273 0.704 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001021958925 642467058 /nfs/dbraw/zinc/46/70/58/642467058.db2.gz HHDOJORICKIRNX-PHIMTYICSA-N 1 0 246.314 0.131 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000971451603 642472736 /nfs/dbraw/zinc/47/27/36/642472736.db2.gz LXLBCKKYXZVPEE-JTQLQIEISA-N 1 0 249.318 0.147 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)cn2)C1 ZINC001021965761 642473320 /nfs/dbraw/zinc/47/33/20/642473320.db2.gz YHRRTRHPGUMWHF-PHIMTYICSA-N 1 0 248.330 0.847 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)n2cccc2)C1 ZINC001021972479 642477945 /nfs/dbraw/zinc/47/79/45/642477945.db2.gz YWPXNLMTFFSQFK-RWMBFGLXSA-N 1 0 245.326 0.919 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H](C)n2cccc2)C1 ZINC001021972480 642478074 /nfs/dbraw/zinc/47/80/74/642478074.db2.gz YWPXNLMTFFSQFK-UPJWGTAASA-N 1 0 245.326 0.919 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)n2cncn2)C1 ZINC001021983821 642479538 /nfs/dbraw/zinc/47/95/38/642479538.db2.gz GQVJOUSOHOYWHF-GARJFASQSA-N 1 0 249.318 0.262 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ncccc2O)C1 ZINC001021998753 642494664 /nfs/dbraw/zinc/49/46/64/642494664.db2.gz IILKMNVUMKPKFD-AOOOYVTPSA-N 1 0 245.282 0.271 20 30 BCEDRO C#CCC1([NH2+]C[C@@H]2CCC(=O)N2)CCC1 ZINC000933295855 642498477 /nfs/dbraw/zinc/49/84/77/642498477.db2.gz YBMJPLFGZQZFBX-JTQLQIEISA-N 1 0 206.289 0.801 20 30 BCEDRO C#CCC1([NH2+]C[C@](C)(O)C(=O)OC)CCC1 ZINC000933296474 642501294 /nfs/dbraw/zinc/50/12/94/642501294.db2.gz HWYJFWXTGPPZSQ-NSHDSACASA-N 1 0 225.288 0.446 20 30 BCEDRO C#CCC1([NH2+]C[C@@](C)(O)C(=O)OCC)CCC1 ZINC000933296159 642501738 /nfs/dbraw/zinc/50/17/38/642501738.db2.gz DPVFHAJHULJTOC-GFCCVEGCSA-N 1 0 239.315 0.836 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CC[C@@H]2C)CC1 ZINC000920463340 642502166 /nfs/dbraw/zinc/50/21/66/642502166.db2.gz IZLQMUFYSSIAQO-NSHDSACASA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCC1([NH2+]CCn2cncn2)CCC1 ZINC000933296745 642509877 /nfs/dbraw/zinc/50/98/77/642509877.db2.gz MUBORENFUWGNIP-UHFFFAOYSA-N 1 0 204.277 0.814 20 30 BCEDRO C#CCCCNC(=O)NCC1([NH+](C)C)CC1 ZINC000920756051 642547279 /nfs/dbraw/zinc/54/72/79/642547279.db2.gz RIXLNJIWNHJINV-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925334117 642572598 /nfs/dbraw/zinc/57/25/98/642572598.db2.gz JCWWQEZRAZAKMK-AXFHLTTASA-N 1 0 223.320 0.742 20 30 BCEDRO CC#CCN1CC(CNC(=O)c2cc[nH]c2)C1 ZINC001031689127 642583576 /nfs/dbraw/zinc/58/35/76/642583576.db2.gz BAMRCWOAIYOICM-UHFFFAOYSA-N 1 0 231.299 0.700 20 30 BCEDRO CCCNC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000305049389 642635400 /nfs/dbraw/zinc/63/54/00/642635400.db2.gz ZSEABAQVHXQFFL-SNVBAGLBSA-N 1 0 229.324 0.496 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NC[C@H]1CCCS1(=O)=O ZINC000305076920 642638004 /nfs/dbraw/zinc/63/80/04/642638004.db2.gz OGVGEHCUWZKLQL-RKDXNWHRSA-N 1 0 247.364 0.266 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCC(C)(C)C(=O)NC ZINC000305198625 642647215 /nfs/dbraw/zinc/64/72/15/642647215.db2.gz LZGCMQXKZGYIOW-QMMMGPOBSA-N 1 0 228.340 0.461 20 30 BCEDRO CC(C)[NH+]=C(NCC(=O)N(C)C)NC(C)(C)C ZINC000175010353 642649381 /nfs/dbraw/zinc/64/93/81/642649381.db2.gz BGJOZOKJHVCQEH-UHFFFAOYSA-N 1 0 242.367 0.817 20 30 BCEDRO C=CCCOCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000305473922 642660095 /nfs/dbraw/zinc/66/00/95/642660095.db2.gz YVMVIYVPMGJWTG-LLVKDONJSA-N 1 0 241.335 0.662 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001007287583 642661504 /nfs/dbraw/zinc/66/15/04/642661504.db2.gz RSXDQKUAZOHURZ-JTQLQIEISA-N 1 0 234.303 0.790 20 30 BCEDRO CC[C@H](CO)NC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000305758919 642687323 /nfs/dbraw/zinc/68/73/23/642687323.db2.gz CNUXQMZCUFWHNR-NXEZZACHSA-N 1 0 213.325 0.804 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]nc1C ZINC000961416933 642688604 /nfs/dbraw/zinc/68/86/04/642688604.db2.gz GOYSIHQBTUSMSV-GDNZZTSVSA-N 1 0 244.298 0.011 20 30 BCEDRO CC[C@H](CO)NC(=[NH2+])N1CCCCCC1 ZINC000305765181 642690482 /nfs/dbraw/zinc/69/04/82/642690482.db2.gz GYEGQCUYBCHTIF-SNVBAGLBSA-N 1 0 213.325 0.948 20 30 BCEDRO COCCC(C)(C)CNC(=[NH2+])N[C@H](C)COC ZINC000305795897 642696069 /nfs/dbraw/zinc/69/60/69/642696069.db2.gz AKLHRMADRJNHPY-SNVBAGLBSA-N 1 0 245.367 0.988 20 30 BCEDRO CN(C(=[NH2+])NCCCCCCO)C1CC1 ZINC000305818107 642700864 /nfs/dbraw/zinc/70/08/64/642700864.db2.gz NHQNGTZBXUMCBF-UHFFFAOYSA-N 1 0 213.325 0.948 20 30 BCEDRO CN(C(=[NH2+])NC[C@@H](O)Cc1ccccc1)C1CC1 ZINC000305804308 642701718 /nfs/dbraw/zinc/70/17/18/642701718.db2.gz FVOFSNMRBZOXHZ-ZDUSSCGKSA-N 1 0 247.342 0.999 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CC2 ZINC000961863434 642707364 /nfs/dbraw/zinc/70/73/64/642707364.db2.gz BGBODXPLBDSHTC-KXNHARMFSA-N 1 0 230.311 0.466 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC[C@@H](C)O1 ZINC000961843850 642707503 /nfs/dbraw/zinc/70/75/03/642707503.db2.gz CHXSIQAPGXDXDK-LBELIVKGSA-N 1 0 248.326 0.234 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCc1ccnn1C ZINC000305846331 642709924 /nfs/dbraw/zinc/70/99/24/642709924.db2.gz CJDKQPWUPAGYNR-VIFPVBQESA-N 1 0 223.324 0.665 20 30 BCEDRO CCOCCCNC(=[NH2+])NCC1(OC)CCC1 ZINC000305884502 642711440 /nfs/dbraw/zinc/71/14/40/642711440.db2.gz XCCWPBCNZZYBOE-UHFFFAOYSA-N 1 0 243.351 0.886 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](C)[C@H](NC(C)=O)C1 ZINC000964574900 642754212 /nfs/dbraw/zinc/75/42/12/642754212.db2.gz LTHOQVXXERMFHG-ZYHUDNBSSA-N 1 0 208.305 0.856 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](C)[C@@H](NC(C)=O)C1 ZINC000964574897 642755321 /nfs/dbraw/zinc/75/53/21/642755321.db2.gz LTHOQVXXERMFHG-JQWIXIFHSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccccn2)C1 ZINC000966127004 642783345 /nfs/dbraw/zinc/78/33/45/642783345.db2.gz FILUFCBQLICWHW-LLVKDONJSA-N 1 0 229.283 0.519 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000966496127 642788755 /nfs/dbraw/zinc/78/87/55/642788755.db2.gz UUWYPMNORFKGDC-SNVBAGLBSA-N 1 0 232.287 0.467 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc[nH]2)C1 ZINC000966907260 642795221 /nfs/dbraw/zinc/79/52/21/642795221.db2.gz QRWABUOCNYHCRR-SNVBAGLBSA-N 1 0 217.272 0.452 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(C)n2C)C1 ZINC000967057082 642795705 /nfs/dbraw/zinc/79/57/05/642795705.db2.gz VZWXMMDIVVRKMN-GFCCVEGCSA-N 1 0 245.326 0.771 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC000967421478 642797485 /nfs/dbraw/zinc/79/74/85/642797485.db2.gz WJEGJVSFGHQFRF-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCn2cccn2)C1 ZINC000967221558 642798282 /nfs/dbraw/zinc/79/82/82/642798282.db2.gz ASPMUTUXDQIUGD-GFCCVEGCSA-N 1 0 248.330 0.650 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2scnc2C)C1 ZINC000967364598 642798382 /nfs/dbraw/zinc/79/83/82/642798382.db2.gz SZXILMIJNGHZHA-SNVBAGLBSA-N 1 0 249.339 0.889 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnc(C)s2)C1 ZINC000967546546 642801498 /nfs/dbraw/zinc/80/14/98/642801498.db2.gz KCUGRFJBRQRKIH-SNVBAGLBSA-N 1 0 249.339 0.889 20 30 BCEDRO CC(C)C[NH2+][C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000967727635 642802501 /nfs/dbraw/zinc/80/25/01/642802501.db2.gz GZRDOBQQSUMCDB-GHMZBOCLSA-N 1 0 223.320 0.993 20 30 BCEDRO COC[C@H](O)C[N@H+](CCC#N)CC(C)C ZINC000068891222 642807302 /nfs/dbraw/zinc/80/73/02/642807302.db2.gz VOUWVDFQEXNINQ-LLVKDONJSA-N 1 0 214.309 0.865 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000968341504 642807902 /nfs/dbraw/zinc/80/79/02/642807902.db2.gz RTZLNCRLICYLKM-LLVKDONJSA-N 1 0 244.298 0.876 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ocnc2C)C1 ZINC000968336429 642808107 /nfs/dbraw/zinc/80/81/07/642808107.db2.gz MBRAJGKKYWJBEA-SNVBAGLBSA-N 1 0 233.271 0.420 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2coc(C)n2)C1 ZINC000968487253 642812340 /nfs/dbraw/zinc/81/23/40/642812340.db2.gz FKLSPWBCVXEABC-SNVBAGLBSA-N 1 0 233.271 0.420 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC000968472397 642813178 /nfs/dbraw/zinc/81/31/78/642813178.db2.gz BYQFJMYLWQZLOB-LLVKDONJSA-N 1 0 247.273 0.658 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)C1 ZINC000968553001 642815128 /nfs/dbraw/zinc/81/51/28/642815128.db2.gz LQCYKFKMIILMKC-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000968625048 642815654 /nfs/dbraw/zinc/81/56/54/642815654.db2.gz LQOPWYPDEITSLS-GFCCVEGCSA-N 1 0 216.284 0.224 20 30 BCEDRO CC(C)[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000968617697 642815765 /nfs/dbraw/zinc/81/57/65/642815765.db2.gz KCVGALVPTXGBQG-GFCCVEGCSA-N 1 0 220.316 0.999 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ccsn2)C1 ZINC001031761080 642817310 /nfs/dbraw/zinc/81/73/10/642817310.db2.gz XGSNPXLTINBACG-UHFFFAOYSA-N 1 0 237.328 0.991 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CC(OC)C2)C1 ZINC000969023624 642821636 /nfs/dbraw/zinc/82/16/36/642821636.db2.gz QYFBLRIPOKSSIN-MOENNCHZSA-N 1 0 236.315 0.235 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cocn2)C1 ZINC001006937010 642825524 /nfs/dbraw/zinc/82/55/24/642825524.db2.gz DPYYSKAXEVTOEK-LLVKDONJSA-N 1 0 247.298 0.892 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2cn[nH]c2)C1 ZINC001006801981 642826037 /nfs/dbraw/zinc/82/60/37/642826037.db2.gz ZECCCUABPVFZJT-LLVKDONJSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001007763370 642829420 /nfs/dbraw/zinc/82/94/20/642829420.db2.gz XBIDPIJYPUCXMW-SNVBAGLBSA-N 1 0 247.302 0.022 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)CC2CC2)C1 ZINC001009883450 642843127 /nfs/dbraw/zinc/84/31/27/642843127.db2.gz MLJXMSWXIDQZAW-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)C(C)(C)F)C1 ZINC001009864562 642843552 /nfs/dbraw/zinc/84/35/52/642843552.db2.gz MRGPLYIWCBICNU-JTQLQIEISA-N 1 0 226.295 0.948 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2(CF)CC2)C[C@H]1C ZINC000939114637 642844585 /nfs/dbraw/zinc/84/45/85/642844585.db2.gz XGLRLWTVCXRUMG-GHMZBOCLSA-N 1 0 238.306 0.806 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2cnccn2)C1 ZINC001009950425 642847686 /nfs/dbraw/zinc/84/76/86/642847686.db2.gz CNPDSGSUDVIVGT-JTQLQIEISA-N 1 0 232.287 0.467 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)Cn2cccn2)C1 ZINC001010210721 642855470 /nfs/dbraw/zinc/85/54/70/642855470.db2.gz DLOYIFQNOZHVGW-LBPRGKRZSA-N 1 0 246.314 0.097 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001010277585 642857543 /nfs/dbraw/zinc/85/75/43/642857543.db2.gz LSVLJYFEVKIGLP-SNVBAGLBSA-N 1 0 234.303 0.790 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001010303084 642858262 /nfs/dbraw/zinc/85/82/62/642858262.db2.gz OIWUEWMNGISOQT-NSHDSACASA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001010318697 642858301 /nfs/dbraw/zinc/85/83/01/642858301.db2.gz HTQFYMWLAMJDRX-JTQLQIEISA-N 1 0 234.303 0.708 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ccnn2C)C1 ZINC001010350268 642859715 /nfs/dbraw/zinc/85/97/15/642859715.db2.gz UHQDUUATGQRXIR-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001010342615 642860591 /nfs/dbraw/zinc/86/05/91/642860591.db2.gz MTSDEJNLDOYAQQ-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001010408537 642862649 /nfs/dbraw/zinc/86/26/49/642862649.db2.gz PILNLPVLLAZYTA-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC000939338541 642865353 /nfs/dbraw/zinc/86/53/53/642865353.db2.gz PZIHHLQNZBGLEL-NXEZZACHSA-N 1 0 249.318 0.431 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001010516430 642868061 /nfs/dbraw/zinc/86/80/61/642868061.db2.gz HUEYGAAEFPSZCI-NSHDSACASA-N 1 0 248.330 0.637 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)Cc2cc(C)n[nH]2)C1 ZINC001010521982 642868121 /nfs/dbraw/zinc/86/81/21/642868121.db2.gz ZRUGIYCWRDRNAU-LLVKDONJSA-N 1 0 246.314 0.084 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2ccn(C)c2)C1 ZINC001010550959 642868328 /nfs/dbraw/zinc/86/83/28/642868328.db2.gz IFLALMPKVLAWHL-CYBMUJFWSA-N 1 0 245.326 0.853 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ncccn2)C[C@H]1C ZINC000939367979 642869369 /nfs/dbraw/zinc/86/93/69/642869369.db2.gz NKFDDXMSJLJALK-GHMZBOCLSA-N 1 0 244.298 0.160 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001010630989 642870688 /nfs/dbraw/zinc/87/06/88/642870688.db2.gz PUYRUVBGOPVAIU-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2cn(C)cn2)C1 ZINC001010571335 642870886 /nfs/dbraw/zinc/87/08/86/642870886.db2.gz ZVJCRMNQMHHZNC-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2ccnn2CC)C1 ZINC001010750266 642872648 /nfs/dbraw/zinc/87/26/48/642872648.db2.gz WYBHCSPSTDMIJB-NSHDSACASA-N 1 0 248.330 0.893 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)C2=CCOCC2)C1 ZINC001010727773 642872721 /nfs/dbraw/zinc/87/27/21/642872721.db2.gz RAVAIUQAUCKTGB-LBPRGKRZSA-N 1 0 236.315 0.710 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cncnc2)C1 ZINC001010711786 642873367 /nfs/dbraw/zinc/87/33/67/642873367.db2.gz LWDAXRDGWJKXPC-LBPRGKRZSA-N 1 0 246.314 0.857 20 30 BCEDRO [NH2+]=C(NCC1CCC1)NCC1(CO)CCC1 ZINC000181502080 642878363 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C#CCN1CC[C@@H](NC(=O)C[N@H+]2CC[C@@H](C)C2)C1 ZINC001015709360 642923422 /nfs/dbraw/zinc/92/34/22/642923422.db2.gz UWBOEUSUUMFDMH-CHWSQXEVSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CCN1CC[C@@H](NC(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001015701893 642926759 /nfs/dbraw/zinc/92/67/59/642926759.db2.gz KGFSMZZRZNPAEY-CHWSQXEVSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001015820246 642929852 /nfs/dbraw/zinc/92/98/52/642929852.db2.gz BCASPPUPPMJQHB-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C#CCN1CC[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001015821346 642930664 /nfs/dbraw/zinc/93/06/64/642930664.db2.gz UOZWPRJASYARQN-RWMBFGLXSA-N 1 0 232.327 0.856 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccnnc2)C1 ZINC001015749394 642932297 /nfs/dbraw/zinc/93/22/97/642932297.db2.gz DOPOIJGSAUFIFI-LBPRGKRZSA-N 1 0 244.298 0.304 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015905502 642940321 /nfs/dbraw/zinc/94/03/21/642940321.db2.gz PCYYBDVYEQJLBC-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cccnn2)C1 ZINC001015887601 642940422 /nfs/dbraw/zinc/94/04/22/642940422.db2.gz YKHWTZUMHIWSMA-NSHDSACASA-N 1 0 244.298 0.304 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2ncccn2)C1 ZINC001015887831 642940590 /nfs/dbraw/zinc/94/05/90/642940590.db2.gz PKDWJBULYWAKNI-NSHDSACASA-N 1 0 244.298 0.304 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2oncc2C)C1 ZINC001015936635 642941695 /nfs/dbraw/zinc/94/16/95/642941695.db2.gz PGLLDSMDUPJBOH-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015904253 642942944 /nfs/dbraw/zinc/94/29/44/642942944.db2.gz AGDXPXHMKZEWMH-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)Cc2cncn2C)C1 ZINC001015998325 642943523 /nfs/dbraw/zinc/94/35/23/642943523.db2.gz OKIVWLJPQFJFNK-NSHDSACASA-N 1 0 248.330 0.339 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015903305 642943947 /nfs/dbraw/zinc/94/39/47/642943947.db2.gz XBMXWQVBEFSVKY-SNVBAGLBSA-N 1 0 234.303 0.329 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cccnn2)C1 ZINC001015887599 642944314 /nfs/dbraw/zinc/94/43/14/642944314.db2.gz YKHWTZUMHIWSMA-LLVKDONJSA-N 1 0 244.298 0.304 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC001016285204 642955006 /nfs/dbraw/zinc/95/50/06/642955006.db2.gz XLJXFGVIIYYSRX-NSHDSACASA-N 1 0 246.314 0.775 20 30 BCEDRO C#CC[NH+]1CCC2(C[C@H]2NC(=O)C(F)F)CC1 ZINC001016447268 642957629 /nfs/dbraw/zinc/95/76/29/642957629.db2.gz QVNLHIIMEFOYNF-SECBINFHSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2nonc2C)C1 ZINC001016416485 642957998 /nfs/dbraw/zinc/95/79/98/642957998.db2.gz MYBXXROLRZUNQK-JTQLQIEISA-N 1 0 248.286 0.205 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2[nH]cnc2C)C1 ZINC001016418661 642958498 /nfs/dbraw/zinc/95/84/98/642958498.db2.gz AYPZEJRROJRANI-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001016396592 642959785 /nfs/dbraw/zinc/95/97/85/642959785.db2.gz DZZWVKBKWRFZFC-LBPRGKRZSA-N 1 0 248.330 0.650 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)C(F)F)C1 ZINC001018382655 642988000 /nfs/dbraw/zinc/98/80/00/642988000.db2.gz NRMCUBWKLCZLBR-ZETCQYMHSA-N 1 0 204.220 0.628 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccncc2)C1 ZINC001018411234 642991594 /nfs/dbraw/zinc/99/15/94/642991594.db2.gz ZGSIWPLCGCZOBR-LBPRGKRZSA-N 1 0 229.283 0.519 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cnccn2)C1 ZINC001018435771 642991617 /nfs/dbraw/zinc/99/16/17/642991617.db2.gz XLXLVCPQOJYEAF-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)CC)C1 ZINC001018538271 642996114 /nfs/dbraw/zinc/99/61/14/642996114.db2.gz XEYIRWQTOCMOEA-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)CC)C1 ZINC001018538270 642997386 /nfs/dbraw/zinc/99/73/86/642997386.db2.gz XEYIRWQTOCMOEA-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC001018601251 643003177 /nfs/dbraw/zinc/00/31/77/643003177.db2.gz QJFLOPFZDGXGFA-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001018648046 643005183 /nfs/dbraw/zinc/00/51/83/643005183.db2.gz BLEOVHQFYFBJJU-NSHDSACASA-N 1 0 235.287 0.594 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ocnc2C)C1 ZINC001018675601 643007300 /nfs/dbraw/zinc/00/73/00/643007300.db2.gz MBRAJGKKYWJBEA-JTQLQIEISA-N 1 0 233.271 0.420 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cccnc2)C1 ZINC001018714805 643008772 /nfs/dbraw/zinc/00/87/72/643008772.db2.gz CDMJVKSMPHLKSK-ZDUSSCGKSA-N 1 0 243.310 0.448 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)n2cccc2)C1 ZINC001018727263 643009079 /nfs/dbraw/zinc/00/90/79/643009079.db2.gz ANAOSHGVBSCSBY-STQMWFEESA-N 1 0 245.326 0.873 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)/C=C\c2ccc[nH]2)C1 ZINC001018766543 643010242 /nfs/dbraw/zinc/01/02/42/643010242.db2.gz DXPCIHOTKINULQ-SZZPACECSA-N 1 0 243.310 0.852 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2nccn2CC)C1 ZINC001018778830 643010417 /nfs/dbraw/zinc/01/04/17/643010417.db2.gz RHAHMRMHGSIRHL-NSHDSACASA-N 1 0 248.330 0.893 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H](OC)C2CC2)C1 ZINC001018791220 643011459 /nfs/dbraw/zinc/01/14/59/643011459.db2.gz RGMARIRWRZDGHI-RYUDHWBXSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC001018815904 643012385 /nfs/dbraw/zinc/01/23/85/643012385.db2.gz PVWTXRZGQBZUFI-JTQLQIEISA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccncc2C)C1 ZINC001018815369 643013167 /nfs/dbraw/zinc/01/31/67/643013167.db2.gz HLYLTOKLRJFEKS-LBPRGKRZSA-N 1 0 243.310 0.827 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2(C)CC2)C1 ZINC001018891311 643014055 /nfs/dbraw/zinc/01/40/55/643014055.db2.gz KWSBOZKERQZBQY-JTQLQIEISA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC001018822471 643014621 /nfs/dbraw/zinc/01/46/21/643014621.db2.gz OVFGALCPAOBKCX-JTQLQIEISA-N 1 0 232.287 0.155 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c[nH]nc2CC)C1 ZINC001019077750 643019462 /nfs/dbraw/zinc/01/94/62/643019462.db2.gz ZRYDPUKKYRLWGS-JTQLQIEISA-N 1 0 246.314 0.409 20 30 BCEDRO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]C[C@@H](C)O)C1 ZINC001019237925 643023812 /nfs/dbraw/zinc/02/38/12/643023812.db2.gz DKTZLKYJFWRUHY-MNOVXSKESA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@@](C)(CC)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019334751 643026759 /nfs/dbraw/zinc/02/67/59/643026759.db2.gz YBJWRIITQLWTBT-AAEUAGOBSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001019275952 643027255 /nfs/dbraw/zinc/02/72/55/643027255.db2.gz WDMXDGMPCFWSCX-NSHDSACASA-N 1 0 235.287 0.594 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2C[C@H]3CC[C@@H]2O3)C1 ZINC001019412027 643033806 /nfs/dbraw/zinc/03/38/06/643033806.db2.gz BRMFSQPUZCKNNS-LOWDOPEQSA-N 1 0 248.326 0.378 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC001019533098 643034919 /nfs/dbraw/zinc/03/49/19/643034919.db2.gz BTZQTEQVHACSHR-VIFPVBQESA-N 1 0 235.291 0.185 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cccnn2)C1 ZINC001019547750 643037348 /nfs/dbraw/zinc/03/73/48/643037348.db2.gz VBOUTRVVJKIDGK-JTQLQIEISA-N 1 0 232.287 0.467 20 30 BCEDRO Cc1cccc(CCNC(=[NH2+])N(C)C)n1 ZINC000280019598 643038111 /nfs/dbraw/zinc/03/81/11/643038111.db2.gz OOLXHCRDUXKNSH-UHFFFAOYSA-N 1 0 206.293 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001019567787 643038685 /nfs/dbraw/zinc/03/86/85/643038685.db2.gz LRHUEIAHLFAGES-AAEUAGOBSA-N 1 0 236.315 0.237 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC001019564449 643039477 /nfs/dbraw/zinc/03/94/77/643039477.db2.gz PXTJFXWQCFVBAZ-JTQLQIEISA-N 1 0 234.303 0.329 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC001019629417 643039833 /nfs/dbraw/zinc/03/98/33/643039833.db2.gz LEEINGXYRNDMOP-JTQLQIEISA-N 1 0 249.318 0.114 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001019969169 643049089 /nfs/dbraw/zinc/04/90/89/643049089.db2.gz WIASNZAKYKXSOV-KYZUINATSA-N 1 0 248.286 0.219 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001020008766 643053058 /nfs/dbraw/zinc/05/30/58/643053058.db2.gz DKOOTUBDUOESFY-MGCOHNPYSA-N 1 0 234.303 0.755 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ncoc2CC)C1 ZINC001020029699 643053171 /nfs/dbraw/zinc/05/31/71/643053171.db2.gz MZHGVFZRLNSJMS-MGCOHNPYSA-N 1 0 247.298 0.721 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cscn2)C1 ZINC001020021819 643053286 /nfs/dbraw/zinc/05/32/86/643053286.db2.gz FZNBTJUYOLBJLQ-KYZUINATSA-N 1 0 235.312 0.627 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnccc2C)C1 ZINC001020043714 643054684 /nfs/dbraw/zinc/05/46/84/643054684.db2.gz IRQGEESZWUHSBF-HAQNSBGRSA-N 1 0 243.310 0.874 20 30 BCEDRO CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001020080508 643056227 /nfs/dbraw/zinc/05/62/27/643056227.db2.gz ZCNMIFQQXUOQNS-MGCOHNPYSA-N 1 0 232.287 0.757 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001020075808 643057002 /nfs/dbraw/zinc/05/70/02/643057002.db2.gz IUFPLFIHKVJZMJ-IJLUTSLNSA-N 1 0 236.315 0.426 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ncn(C)n2)C1 ZINC001020127371 643059944 /nfs/dbraw/zinc/05/99/44/643059944.db2.gz GNEQQISNEXLALZ-MGCOHNPYSA-N 1 0 249.318 0.242 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001020133369 643061143 /nfs/dbraw/zinc/06/11/43/643061143.db2.gz QXBXLZSZMJFNMP-MGCOHNPYSA-N 1 0 249.318 0.078 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccnnc2C)C1 ZINC001020353078 643068216 /nfs/dbraw/zinc/06/82/16/643068216.db2.gz OEBIWIMKSPDGDM-XYPYZODXSA-N 1 0 246.314 0.821 20 30 BCEDRO COC(=O)[C@H]1CCC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000304190591 643085851 /nfs/dbraw/zinc/08/58/51/643085851.db2.gz AJPCWJCTZSUJJC-QWRGUYRKSA-N 1 0 240.303 0.800 20 30 BCEDRO C[C@H](C#N)OCCN1CCC[C@@H]([NH+](C)C)C1 ZINC000304198553 643087434 /nfs/dbraw/zinc/08/74/34/643087434.db2.gz BSLMRXNBKHBSHK-VXGBXAGGSA-N 1 0 225.336 0.941 20 30 BCEDRO CC#CC[NH+]1CC([C@@H](C)NC(=O)C2CC2)C1 ZINC000969183989 643097906 /nfs/dbraw/zinc/09/79/06/643097906.db2.gz WVVDXLZTMYSQGI-SNVBAGLBSA-N 1 0 220.316 0.856 20 30 BCEDRO COCCNC(=[NH2+])NCC(C)(C)SC ZINC000304412847 643113500 /nfs/dbraw/zinc/11/35/00/643113500.db2.gz QJTSAUVDQGPAQC-UHFFFAOYSA-N 1 0 219.354 0.679 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)C(F)F)[C@H](C)C1 ZINC000941703620 643115621 /nfs/dbraw/zinc/11/56/21/643115621.db2.gz BLWZEPKZNSRWCB-BDAKNGLRSA-N 1 0 230.258 0.711 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001020457168 643140637 /nfs/dbraw/zinc/14/06/37/643140637.db2.gz JFAAYBPCWBNTLA-KYZUINATSA-N 1 0 235.291 0.150 20 30 BCEDRO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2ccn[nH]2)C1 ZINC000969336843 643147418 /nfs/dbraw/zinc/14/74/18/643147418.db2.gz SFIRXYOIRHJQQQ-SNVBAGLBSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)c2ccon2)C1 ZINC000969352256 643150533 /nfs/dbraw/zinc/15/05/33/643150533.db2.gz RUFPAWYTLYHJOT-SNVBAGLBSA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ncc[nH]2)[C@H](C)C1 ZINC000942036594 643157528 /nfs/dbraw/zinc/15/75/28/643157528.db2.gz HRZIEGWNIJOAQY-GHMZBOCLSA-N 1 0 246.314 0.483 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2csnn2)C1 ZINC000969491281 643180487 /nfs/dbraw/zinc/18/04/87/643180487.db2.gz HTXCHEHYVMWOSK-MRVPVSSYSA-N 1 0 238.316 0.528 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2C[C@H]2C)C1 ZINC001020549366 643181626 /nfs/dbraw/zinc/18/16/26/643181626.db2.gz VKXZEYDUVRJWBZ-DDHJBXDOSA-N 1 0 220.316 0.903 20 30 BCEDRO COC(C)(C)[C@H](C)[NH2+]C[C@H](O)CC#N ZINC000932372805 643184912 /nfs/dbraw/zinc/18/49/12/643184912.db2.gz SQRIOQLBJUKHTO-DTWKUNHWSA-N 1 0 200.282 0.664 20 30 BCEDRO CC#CC[NH+]1CC([C@@H](C)NC(=O)c2ncc[nH]2)C1 ZINC000969630725 643201073 /nfs/dbraw/zinc/20/10/73/643201073.db2.gz FVKOQZUGKFCIAY-SNVBAGLBSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)c2ncc[nH]2)C1 ZINC000969639988 643203155 /nfs/dbraw/zinc/20/31/55/643203155.db2.gz CZIPHZJRURDQTR-JTQLQIEISA-N 1 0 246.314 0.483 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001032039861 643209570 /nfs/dbraw/zinc/20/95/70/643209570.db2.gz GDJGOOVWGLAZPL-UHFFFAOYSA-N 1 0 234.303 0.566 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2csc(C)n2)C1 ZINC000969702412 643214837 /nfs/dbraw/zinc/21/48/37/643214837.db2.gz XSWIHHXLJYTOBY-SNVBAGLBSA-N 1 0 249.339 0.889 20 30 BCEDRO C#C[C@H]1CCCCN1C(=O)[C@H](C)[NH+](C)C ZINC000890652741 643228870 /nfs/dbraw/zinc/22/88/70/643228870.db2.gz WVGSIQAJODEUIN-QWRGUYRKSA-N 1 0 208.305 0.951 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2CCO[C@H]2C)C1 ZINC001032076124 643237146 /nfs/dbraw/zinc/23/71/46/643237146.db2.gz LLWZMMYWDHOJPS-CMPLNLGQSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CCC(C)(C)C(=O)NC[C@](C)(O)C[NH+](C)C ZINC000184797950 643239179 /nfs/dbraw/zinc/23/91/79/643239179.db2.gz LBGKQJCOJQFTOJ-ZDUSSCGKSA-N 1 0 240.347 0.465 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccsn1 ZINC000960480511 643240979 /nfs/dbraw/zinc/24/09/79/643240979.db2.gz VITFOZFUYDNGPJ-JZYVYDRUSA-N 1 0 249.339 0.989 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2oncc2C)C1 ZINC001032096378 643249889 /nfs/dbraw/zinc/24/98/89/643249889.db2.gz ZQJVNBJLUVZZDL-UHFFFAOYSA-N 1 0 235.287 0.831 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cnon2)[C@@H](C)C1 ZINC000943715723 643254904 /nfs/dbraw/zinc/25/49/04/643254904.db2.gz ABTUPWBYYDRSNK-VHSXEESVSA-N 1 0 248.286 0.143 20 30 BCEDRO CC[C@@H](C(=O)N1CC[C@@H](NCC#N)C1)[NH+](C)C ZINC000969988818 643260087 /nfs/dbraw/zinc/26/00/87/643260087.db2.gz FNRSDNIICLHJAQ-MNOVXSKESA-N 1 0 238.335 0.041 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ccc(C)n2)C1 ZINC000969998081 643264160 /nfs/dbraw/zinc/26/41/60/643264160.db2.gz IEHZAVQDHMILCT-GFCCVEGCSA-N 1 0 246.314 0.015 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cn[nH]n2)C1 ZINC000970023617 643267364 /nfs/dbraw/zinc/26/73/64/643267364.db2.gz JJFLNIJIISSBGD-MRVPVSSYSA-N 1 0 235.291 0.041 20 30 BCEDRO C#Cc1ccc(C(=O)NCC2C[NH+](CC)C2)cn1 ZINC001032138346 643274296 /nfs/dbraw/zinc/27/42/96/643274296.db2.gz XSMRKVRMTWQIAV-UHFFFAOYSA-N 1 0 243.310 0.744 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ccc(=O)[nH]c2)C1 ZINC001032167856 643278138 /nfs/dbraw/zinc/27/81/38/643278138.db2.gz GFGHSCXPPNVJJD-UHFFFAOYSA-N 1 0 247.298 0.635 20 30 BCEDRO CC#CCN1CC(CNC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001032186540 643282066 /nfs/dbraw/zinc/28/20/66/643282066.db2.gz QNMCTJNXCGVRLQ-ZDUSSCGKSA-N 1 0 249.358 0.009 20 30 BCEDRO C[C@@H](C#N)OCCN1CC[NH+](CC2CC2)CC1 ZINC000306027721 643283063 /nfs/dbraw/zinc/28/30/63/643283063.db2.gz NCBXCZQSMZCHES-LBPRGKRZSA-N 1 0 237.347 0.943 20 30 BCEDRO C#C[C@H](C)NC(=O)C[NH+]1CCC(C)CC1 ZINC000185297453 643285638 /nfs/dbraw/zinc/28/56/38/643285638.db2.gz OHDKPICDNXYUNK-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2nccc2C)C1 ZINC000970126967 643318300 /nfs/dbraw/zinc/31/83/00/643318300.db2.gz CLCBQQHIGOMTEZ-GFCCVEGCSA-N 1 0 246.314 0.015 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)CC1(C)C ZINC000995558880 643331007 /nfs/dbraw/zinc/33/10/07/643331007.db2.gz JMEXCULKEDBKCT-GHMZBOCLSA-N 1 0 233.315 0.606 20 30 BCEDRO N#Cc1ccc(CC(=O)N2CC[NH2+]CC2)cc1 ZINC000082652803 643363080 /nfs/dbraw/zinc/36/30/80/643363080.db2.gz MIKPMWKAOSGOOJ-UHFFFAOYSA-N 1 0 229.283 0.533 20 30 BCEDRO C=CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)COC ZINC001032236043 643382200 /nfs/dbraw/zinc/38/22/00/643382200.db2.gz ANKXLWHTOINLHN-QWRGUYRKSA-N 1 0 224.304 0.494 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2c[nH]nc2C)C1 ZINC000970241004 643403556 /nfs/dbraw/zinc/40/35/56/643403556.db2.gz YKXTVDHFPKORFZ-VIFPVBQESA-N 1 0 248.330 0.954 20 30 BCEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)c2cnco2)C1 ZINC000970230980 643403816 /nfs/dbraw/zinc/40/38/16/643403816.db2.gz HJODJSBEPRLURI-JTQLQIEISA-N 1 0 247.298 0.748 20 30 BCEDRO C[S@@](=O)CC[NH+]1CCC(C)(C#N)CC1 ZINC000307072198 643404354 /nfs/dbraw/zinc/40/43/54/643404354.db2.gz YESRUAMCBMZZCP-CQSZACIVSA-N 1 0 214.334 0.991 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H]1CCC(C)(C)O1 ZINC000186023337 643427016 /nfs/dbraw/zinc/42/70/16/643427016.db2.gz SOSOPPZPPBQVMC-VIFPVBQESA-N 1 0 229.324 0.495 20 30 BCEDRO CCCC[N@H+](CCO)CC(=O)NCCC#N ZINC000049800464 643442396 /nfs/dbraw/zinc/44/23/96/643442396.db2.gz QPRWIEJBLTYIAW-UHFFFAOYSA-N 1 0 227.308 0.111 20 30 BCEDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884271103 643457886 /nfs/dbraw/zinc/45/78/86/643457886.db2.gz XUBLVUXZJPRJIG-WPRPVWTQSA-N 1 0 232.287 0.614 20 30 BCEDRO C=CCC[NH+]1CC([C@@H](C)NC(=O)c2nnc[nH]2)C1 ZINC000970616779 643484494 /nfs/dbraw/zinc/48/44/94/643484494.db2.gz PMMOCZFXPYLKIB-SECBINFHSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cc(F)c[nH]2)CC1 ZINC000996807292 643509868 /nfs/dbraw/zinc/50/98/68/643509868.db2.gz CRCNFLGQRIGDHB-UHFFFAOYSA-N 1 0 249.289 0.981 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccnc(C)n2)C1 ZINC000970740672 643526148 /nfs/dbraw/zinc/52/61/48/643526148.db2.gz ITDDJHMGHQNXGO-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO C=CC(C)(C)C(=O)N1CCC([NH2+]CCO)CC1 ZINC000996871014 643526685 /nfs/dbraw/zinc/52/66/85/643526685.db2.gz BLBFDSAMLMATIR-UHFFFAOYSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CC[N@@H+]1CC[C@H]2[C@@H](CCCN2C(C)=O)C1 ZINC001021477300 643530091 /nfs/dbraw/zinc/53/00/91/643530091.db2.gz WBKFBLLIFBVROT-STQMWFEESA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OCC(=O)OC)CC1 ZINC000735940520 643570589 /nfs/dbraw/zinc/57/05/89/643570589.db2.gz QVVJHLWEWKWEDT-UHFFFAOYSA-N 1 0 239.271 0.048 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2nccn2CC)C1 ZINC001010806177 643573617 /nfs/dbraw/zinc/57/36/17/643573617.db2.gz NOBRQQIVECNGHD-LLVKDONJSA-N 1 0 248.330 0.893 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ccncn2)CC1 ZINC000997105517 643579675 /nfs/dbraw/zinc/57/96/75/643579675.db2.gz FQOPAMSMYAAECB-UHFFFAOYSA-N 1 0 244.298 0.304 20 30 BCEDRO C#CCN1CC([C@@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970870566 643580338 /nfs/dbraw/zinc/58/03/38/643580338.db2.gz VCESBOMNRZZEKZ-NEPJUHHUSA-N 1 0 249.358 0.008 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)Cc2ncc[nH]2)CC1 ZINC000997127609 643587430 /nfs/dbraw/zinc/58/74/30/643587430.db2.gz RAUKJRYRLNJSIW-UHFFFAOYSA-N 1 0 246.314 0.166 20 30 BCEDRO C[NH+](C)CC(=O)N[C@@H](C#N)C1CCCC1 ZINC000921539817 643592675 /nfs/dbraw/zinc/59/26/75/643592675.db2.gz FKAWRPAOBBMVBN-JTQLQIEISA-N 1 0 209.293 0.747 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2oncc2C)CC1 ZINC000997143629 643592727 /nfs/dbraw/zinc/59/27/27/643592727.db2.gz VAJXEWCAAVYOBX-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO CC[NH2+]CC1CCN(C(=O)[C@@H](C)C#N)CC1 ZINC000997615995 643647440 /nfs/dbraw/zinc/64/74/40/643647440.db2.gz YKLRCSHXUIXZSN-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1cc(C#N)ccc1F ZINC000071273086 643657528 /nfs/dbraw/zinc/65/75/28/643657528.db2.gz SQSUNLBTMOABAL-NSHDSACASA-N 1 0 238.262 0.794 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)C2CCC2)C1 ZINC000998340785 643700251 /nfs/dbraw/zinc/70/02/51/643700251.db2.gz SAJBWWBQNPXLIM-UHFFFAOYSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cccnc2)C1 ZINC000998371624 643703305 /nfs/dbraw/zinc/70/33/05/643703305.db2.gz LXXJCDUEYSJOIG-ZDUSSCGKSA-N 1 0 243.310 0.909 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2cnccn2)C1 ZINC000998423135 643705506 /nfs/dbraw/zinc/70/55/06/643705506.db2.gz MKQORIBJVFGLGO-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCCO2)C1 ZINC000998419201 643705693 /nfs/dbraw/zinc/70/56/93/643705693.db2.gz ZMWDHZJYVJDMOG-HTAVTVPLSA-N 1 0 238.331 0.930 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cc(C)on2)C1 ZINC000998413508 643705752 /nfs/dbraw/zinc/70/57/52/643705752.db2.gz SNKYAEWJGQXAGB-UHFFFAOYSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)Cn2cccn2)C1 ZINC000998458773 643707868 /nfs/dbraw/zinc/70/78/68/643707868.db2.gz QTFUBJMRTXHWMO-UHFFFAOYSA-N 1 0 248.330 0.648 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@@H]2CCCO2)C1 ZINC000998490409 643709333 /nfs/dbraw/zinc/70/93/33/643709333.db2.gz XNPXISXBPFNZHF-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCOC2)C1 ZINC000998518585 643710263 /nfs/dbraw/zinc/71/02/63/643710263.db2.gz MIQWNYBWROGRCB-VOMCLLRMSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cnn(C)c2)C1 ZINC000998495868 643710661 /nfs/dbraw/zinc/71/06/61/643710661.db2.gz OOQQRIVCIIBRHT-LBPRGKRZSA-N 1 0 246.314 0.248 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cc2ccon2)C1 ZINC000998559095 643713150 /nfs/dbraw/zinc/71/31/50/643713150.db2.gz ZAMTZILJLUHJNO-UHFFFAOYSA-N 1 0 247.298 0.429 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000998664270 643715775 /nfs/dbraw/zinc/71/57/75/643715775.db2.gz DKPKSROXOSWOPX-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000998648040 643716451 /nfs/dbraw/zinc/71/64/51/643716451.db2.gz NGTOOYWNIMDQGU-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cn[nH]c2)C1 ZINC000998626203 643716476 /nfs/dbraw/zinc/71/64/76/643716476.db2.gz PYQCFGNUGCLEEI-NSHDSACASA-N 1 0 232.287 0.237 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cncnc2)C1 ZINC000998664134 643716607 /nfs/dbraw/zinc/71/66/07/643716607.db2.gz ZOFCYDUYPVKYEU-UHFFFAOYSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@@H]2CCOC2)C1 ZINC000998689910 643718656 /nfs/dbraw/zinc/71/86/56/643718656.db2.gz QIUYZKWQMQYBRP-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cn(C)nn2)C1 ZINC000998726631 643719885 /nfs/dbraw/zinc/71/98/85/643719885.db2.gz RXHCVEBFHQNBGX-UHFFFAOYSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC000998769657 643721200 /nfs/dbraw/zinc/72/12/00/643721200.db2.gz KELFGONIOWSOFD-LBPRGKRZSA-N 1 0 249.314 0.984 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH2+]CCF)C1 ZINC000998757756 643721528 /nfs/dbraw/zinc/72/15/28/643721528.db2.gz ZAUMXMIRAFEKRN-NXEZZACHSA-N 1 0 227.283 0.696 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC000998794600 643722859 /nfs/dbraw/zinc/72/28/59/643722859.db2.gz UPPYSHCMIKHZFB-LBPRGKRZSA-N 1 0 248.330 0.719 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC000999002556 643728972 /nfs/dbraw/zinc/72/89/72/643728972.db2.gz RZYFYCJQKSWCAA-CYBMUJFWSA-N 1 0 248.326 0.547 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CC2(F)F)C1 ZINC000999114971 643729664 /nfs/dbraw/zinc/72/96/64/643729664.db2.gz UOYJHOOQHPHURD-NXEZZACHSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000999130224 643730547 /nfs/dbraw/zinc/73/05/47/643730547.db2.gz URDNRSASVHPFLU-CYBMUJFWSA-N 1 0 230.311 0.614 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC000999121642 643730787 /nfs/dbraw/zinc/73/07/87/643730787.db2.gz VGIFXWWPULWSSP-JTQLQIEISA-N 1 0 232.287 0.237 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)Cc2cnc[nH]2)C1 ZINC000999470768 643736099 /nfs/dbraw/zinc/73/60/99/643736099.db2.gz WHSXXMHDOWJJLM-UHFFFAOYSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cc2cnc[nH]2)C1 ZINC000999468779 643736327 /nfs/dbraw/zinc/73/63/27/643736327.db2.gz IWLLIFCNCZXUNI-UHFFFAOYSA-N 1 0 246.314 0.164 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2nccs2)C1 ZINC000999598504 643737659 /nfs/dbraw/zinc/73/76/59/643737659.db2.gz OMAJGMPUNCKUOE-UHFFFAOYSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cc2ncc[nH]2)C1 ZINC000999605340 643737738 /nfs/dbraw/zinc/73/77/38/643737738.db2.gz IIJVFUGDCOIDNU-UHFFFAOYSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)Cc2ncc[nH]2)C1 ZINC000999605779 643737952 /nfs/dbraw/zinc/73/79/52/643737952.db2.gz OVOYXTBVFANNJW-UHFFFAOYSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)C2(CF)CC2)C1 ZINC001000162963 643753595 /nfs/dbraw/zinc/75/35/95/643753595.db2.gz WAWPGJSMXLCDHJ-LLVKDONJSA-N 1 0 238.306 0.950 20 30 BCEDRO C#CC[N@H+]1CC=C(CNC(=O)C2CC2)CC1 ZINC001000345989 643777890 /nfs/dbraw/zinc/77/78/90/643777890.db2.gz PAXFKIVPDJGKOO-UHFFFAOYSA-N 1 0 218.300 0.778 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001000417194 643781740 /nfs/dbraw/zinc/78/17/40/643781740.db2.gz VOWLRZGQDPOFLG-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[N@H+]1CC=C(CNC(=O)c2ccn[nH]2)CC1 ZINC001000466725 643784604 /nfs/dbraw/zinc/78/46/04/643784604.db2.gz CXJZVLOYVUQQKR-UHFFFAOYSA-N 1 0 246.314 0.958 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001000492433 643785508 /nfs/dbraw/zinc/78/55/08/643785508.db2.gz YUHWBFLXPLEICM-VIFPVBQESA-N 1 0 235.291 0.185 20 30 BCEDRO C#CC[N@H+]1CC=C(CNC(=O)c2ncc[nH]2)CC1 ZINC001000663603 643795883 /nfs/dbraw/zinc/79/58/83/643795883.db2.gz WEIVDAMLVPMDNV-UHFFFAOYSA-N 1 0 244.298 0.405 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)NCCCC#N ZINC000921907196 643823318 /nfs/dbraw/zinc/82/33/18/643823318.db2.gz UKNFDULPALUBRL-VIFPVBQESA-N 1 0 210.281 0.293 20 30 BCEDRO C=CC[NH+](CC=C)C[C@@H](O)C1(O)CCC1 ZINC000929261016 643856181 /nfs/dbraw/zinc/85/61/81/643856181.db2.gz XJUKIIAJCNUKHN-LLVKDONJSA-N 1 0 211.305 0.936 20 30 BCEDRO C[C@](O)(CO)C[NH2+]Cc1csc(C#N)c1 ZINC000922080898 643859089 /nfs/dbraw/zinc/85/90/89/643859089.db2.gz HLRXSHUBVHFCJZ-SNVBAGLBSA-N 1 0 226.301 0.453 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC000922108718 643863358 /nfs/dbraw/zinc/86/33/58/643863358.db2.gz CFGHUVFUVKILCS-VIFPVBQESA-N 1 0 226.301 0.717 20 30 BCEDRO C#CCN(C)CCC[NH2+]Cc1cc[nH]c(=O)c1 ZINC000922147197 643871419 /nfs/dbraw/zinc/87/14/19/643871419.db2.gz MMSXVADKGURZQT-UHFFFAOYSA-N 1 0 233.315 0.832 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)C#CC(C)C ZINC000922160726 643879952 /nfs/dbraw/zinc/87/99/52/643879952.db2.gz ZGAQEXLLIFXUSS-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO N#Cc1cc(C[NH2+][C@@H]2COC[C@H]2O)cs1 ZINC000922163188 643884626 /nfs/dbraw/zinc/88/46/26/643884626.db2.gz JUWPNZKZTMVPQQ-NXEZZACHSA-N 1 0 224.285 0.469 20 30 BCEDRO C=C(C)CC[NH+]1CCC(NC(=O)C(N)=O)CC1 ZINC001003539041 643899408 /nfs/dbraw/zinc/89/94/08/643899408.db2.gz DQEZCRMAVUDOQE-UHFFFAOYSA-N 1 0 239.319 0.019 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCC(F)(F)F ZINC000086157314 643934295 /nfs/dbraw/zinc/93/42/95/643934295.db2.gz CATUPVMJNMCYPN-UHFFFAOYSA-N 1 0 208.183 0.278 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2nc(C)c[nH]2)CC1 ZINC001003772842 643934532 /nfs/dbraw/zinc/93/45/32/643934532.db2.gz ZHZOLXNENLAXRP-UHFFFAOYSA-N 1 0 246.314 0.546 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)N1CCC[C@H](C#N)C1 ZINC000922479686 644001574 /nfs/dbraw/zinc/00/15/74/644001574.db2.gz YKMFRXWIYGRPSD-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C(=C)CC[NH+](C)C ZINC000922733509 644083427 /nfs/dbraw/zinc/08/34/27/644083427.db2.gz QXXVRXFXFRSQDG-LBPRGKRZSA-N 1 0 240.347 0.938 20 30 BCEDRO CCN(C)C(=O)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000187051833 644200673 /nfs/dbraw/zinc/20/06/73/644200673.db2.gz OINUZGDNDXAPEI-SNVBAGLBSA-N 1 0 240.351 0.511 20 30 BCEDRO C=C(C)CONC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000923079892 644262994 /nfs/dbraw/zinc/26/29/94/644262994.db2.gz HPBFEUKYABJPFY-ZJUUUORDSA-N 1 0 227.308 0.886 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000923221594 644290749 /nfs/dbraw/zinc/29/07/49/644290749.db2.gz HGNIJWWIUCREFC-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C=CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000923222850 644291849 /nfs/dbraw/zinc/29/18/49/644291849.db2.gz PUKARJKFSWIWAB-ZJUUUORDSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCC[C@H](O)CN1CC[NH2+][C@H](C)[C@H]1C ZINC000923345882 644364433 /nfs/dbraw/zinc/36/44/33/644364433.db2.gz ONXMOCBVJNYOOB-UTUOFQBUSA-N 1 0 212.337 0.996 20 30 BCEDRO C[NH+]=C(NCCCCO)NCc1ccco1 ZINC000195227321 644372426 /nfs/dbraw/zinc/37/24/26/644372426.db2.gz TWUPMHALGVRXSP-UHFFFAOYSA-N 1 0 225.292 0.717 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@@H](C)[NH2+]C[C@H]1C ZINC000923361067 644386368 /nfs/dbraw/zinc/38/63/68/644386368.db2.gz HIPLFLCRRFVUPS-UTUOFQBUSA-N 1 0 212.337 0.996 20 30 BCEDRO C=CCC[C@@H](O)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923361403 644386559 /nfs/dbraw/zinc/38/65/59/644386559.db2.gz QPZWFTHHZSTPCT-YNEHKIRRSA-N 1 0 224.348 0.997 20 30 BCEDRO C=CCC[C@H](O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000923408235 644408934 /nfs/dbraw/zinc/40/89/34/644408934.db2.gz CTJKVVBWUZEIKH-STQMWFEESA-N 1 0 242.363 0.360 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@@H](OC)C[C@@]1(C)C[NH3+] ZINC000923410802 644412478 /nfs/dbraw/zinc/41/24/78/644412478.db2.gz JQXNOEZHVCPBAP-AVGNSLFASA-N 1 0 242.363 0.752 20 30 BCEDRO N#Cc1ccc(CN2CCC[C@H]([NH2+]CCO)C2)o1 ZINC000923410098 644412689 /nfs/dbraw/zinc/41/26/89/644412689.db2.gz WTBJHKPGDLUDER-NSHDSACASA-N 1 0 249.314 0.698 20 30 BCEDRO C=CCC[C@@H](O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000923412469 644414649 /nfs/dbraw/zinc/41/46/49/644414649.db2.gz XMDVPOFKXXACBU-GRYCIOLGSA-N 1 0 210.321 0.750 20 30 BCEDRO C=CCC[C@@H](O)CN1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000923458734 644439630 /nfs/dbraw/zinc/43/96/30/644439630.db2.gz SEUSMXUMYCZTCK-YNEHKIRRSA-N 1 0 224.348 0.997 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@@H](C)[C@H]([NH3+])C2)C1=O ZINC000923510085 644477271 /nfs/dbraw/zinc/47/72/71/644477271.db2.gz YBJIVPJZNCMLDK-MXWKQRLJSA-N 1 0 223.320 0.052 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)/C=C\C)C1 ZINC000923554762 644498631 /nfs/dbraw/zinc/49/86/31/644498631.db2.gz OYKULUDBOFJEPW-ZTYXWKCZSA-N 1 0 206.289 0.776 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccc(F)cc1 ZINC000087555847 644499373 /nfs/dbraw/zinc/49/93/73/644499373.db2.gz GAFCDXZUYCFNBN-UHFFFAOYSA-N 1 0 220.247 0.665 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)[C@H](C)[NH+](C)C)C1 ZINC000923556930 644501153 /nfs/dbraw/zinc/50/11/53/644501153.db2.gz ZZYRXHZXPMJFBT-RYUDHWBXSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000923558156 644503134 /nfs/dbraw/zinc/50/31/34/644503134.db2.gz WPLNDOOWHPRICX-GFCCVEGCSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)c2cscn2)C1 ZINC000923563756 644505827 /nfs/dbraw/zinc/50/58/27/644505827.db2.gz OJHYQGHSWKJHEC-SNVBAGLBSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)CC)C[C@H]1C ZINC000946936543 644528334 /nfs/dbraw/zinc/52/83/34/644528334.db2.gz ISYXKWYIAMGKNA-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO COCCN(CCC#N)CC[NH+]1CCCC1 ZINC000089907881 644571656 /nfs/dbraw/zinc/57/16/56/644571656.db2.gz UUYZAJAJSMPONB-UHFFFAOYSA-N 1 0 225.336 0.944 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000750261862 644595553 /nfs/dbraw/zinc/59/55/53/644595553.db2.gz MJOYLDWPTXFKRC-NEPJUHHUSA-N 1 0 236.315 0.094 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)c1cnn(C(C)C)c1 ZINC000754800359 644611593 /nfs/dbraw/zinc/61/15/93/644611593.db2.gz OJTWDJRXGRBPHC-NSHDSACASA-N 1 0 248.330 0.864 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000758239216 644637048 /nfs/dbraw/zinc/63/70/48/644637048.db2.gz KSILDHMUTMUPOA-MNOVXSKESA-N 1 0 239.388 0.957 20 30 BCEDRO C#CC(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000760137708 644645869 /nfs/dbraw/zinc/64/58/69/644645869.db2.gz PBGBHSSJTYLNCP-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000775157330 644701033 /nfs/dbraw/zinc/70/10/33/644701033.db2.gz RPSFLERDXDUMMZ-NSHDSACASA-N 1 0 241.294 0.958 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc(N)cc1 ZINC000779798159 644714555 /nfs/dbraw/zinc/71/45/55/644714555.db2.gz MWSZTNDDRAEIDY-MRVPVSSYSA-N 1 0 231.303 0.930 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccncc2)N1 ZINC000779798239 644714914 /nfs/dbraw/zinc/71/49/14/644714914.db2.gz NPUPSLOQEKIXIA-QMMMGPOBSA-N 1 0 203.249 0.353 20 30 BCEDRO C[C@@H]1CNC(NN=C2C[C@@H](C)N(C)C2)=[NH+]1 ZINC000779797795 644715332 /nfs/dbraw/zinc/71/53/32/644715332.db2.gz JZTPMZOVCZSJFB-HTQZYQBOSA-N 1 0 209.297 0.004 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc(O)cc(O)c1 ZINC000779805633 644717358 /nfs/dbraw/zinc/71/73/58/644717358.db2.gz QPWRBGGJTYUSSH-ZETCQYMHSA-N 1 0 248.286 0.759 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cccc(F)c2O)N1 ZINC000779804649 644717464 /nfs/dbraw/zinc/71/74/64/644717464.db2.gz GIIQONQVESRSOC-SSDOTTSWSA-N 1 0 236.250 0.803 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC1 ZINC000958008933 644769998 /nfs/dbraw/zinc/76/99/98/644769998.db2.gz QHJWUNBHQMTEKD-URLYPYJESA-N 1 0 204.273 0.076 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC1CC1 ZINC000958047581 644772376 /nfs/dbraw/zinc/77/23/76/644772376.db2.gz BSCRYEIDBMUDBJ-PJXYFTJBSA-N 1 0 218.300 0.466 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)no1 ZINC000958212092 644782846 /nfs/dbraw/zinc/78/28/46/644782846.db2.gz QQKSVBMWHDOKOE-IAZYJMLFSA-N 1 0 247.298 0.829 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccn[nH]1 ZINC000958291894 644785970 /nfs/dbraw/zinc/78/59/70/644785970.db2.gz DRRNPNVRKWOSRI-JZYVYDRUSA-N 1 0 232.287 0.256 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCOC1 ZINC000958354190 644791152 /nfs/dbraw/zinc/79/11/52/644791152.db2.gz BRGKJJOKNRNLHG-WUHRBBMRSA-N 1 0 248.326 0.093 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCOC1 ZINC000958354188 644791542 /nfs/dbraw/zinc/79/15/42/644791542.db2.gz BRGKJJOKNRNLHG-NDBYEHHHSA-N 1 0 248.326 0.093 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC000958398099 644794019 /nfs/dbraw/zinc/79/40/19/644794019.db2.gz YFKYIYBLYZXPMA-IAZYJMLFSA-N 1 0 245.282 0.358 20 30 BCEDRO CNC(NC[C@@H](C(C)C)N1CCOCC1)=[NH+]C ZINC000303251435 644812202 /nfs/dbraw/zinc/81/22/02/644812202.db2.gz AMOJBPVYAQQMBW-NSHDSACASA-N 1 0 242.367 0.138 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cccc(C)n1 ZINC000303262481 644813371 /nfs/dbraw/zinc/81/33/71/644813371.db2.gz PYEUHQDIRWFENV-UHFFFAOYSA-N 1 0 204.277 0.980 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCC(=O)N(C)C ZINC000303265912 644813742 /nfs/dbraw/zinc/81/37/42/644813742.db2.gz VFGPDPYDOJUNNE-MRVPVSSYSA-N 1 0 214.313 0.168 20 30 BCEDRO CC[C@@H](C)NC(=O)CCNC(NC)=[NH+]C ZINC000303255488 644813770 /nfs/dbraw/zinc/81/37/70/644813770.db2.gz GKJIGDHZMAFYNG-MRVPVSSYSA-N 1 0 214.313 0.086 20 30 BCEDRO C[NH+]=C(NCCC(=O)NC(C)C)NC1CC1 ZINC000303394711 644819599 /nfs/dbraw/zinc/81/95/99/644819599.db2.gz GOFAIJJBJZFPRA-UHFFFAOYSA-N 1 0 226.324 0.229 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCS(=O)(=O)CC ZINC000303387477 644820797 /nfs/dbraw/zinc/82/07/97/644820797.db2.gz BIZRKHWIICPJSU-QMMMGPOBSA-N 1 0 235.353 0.124 20 30 BCEDRO CCCCOCCCNC(=[NH2+])N1CCOCC1 ZINC000303704238 644838058 /nfs/dbraw/zinc/83/80/58/644838058.db2.gz JYYNSYUDPMMEEV-UHFFFAOYSA-N 1 0 243.351 0.840 20 30 BCEDRO CCCCNC(=[NH2+])NCCCN1CCCC1=O ZINC000303708284 644839341 /nfs/dbraw/zinc/83/93/41/644839341.db2.gz NBGOAKGSFFPCFW-UHFFFAOYSA-N 1 0 240.351 0.703 20 30 BCEDRO CC(C)NC(=[NH2+])NCCCOC[C@H]1CCCO1 ZINC000303773200 644844109 /nfs/dbraw/zinc/84/41/09/644844109.db2.gz FGAFAGNTSGHSNV-LLVKDONJSA-N 1 0 243.351 0.885 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H](CC(N)=O)C1 ZINC000801924396 644844738 /nfs/dbraw/zinc/84/47/38/644844738.db2.gz OPFCTLVLWWNFAC-GHMZBOCLSA-N 1 0 239.319 0.502 20 30 BCEDRO CCCNC(=O)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000303772191 644844976 /nfs/dbraw/zinc/84/49/76/644844976.db2.gz DIFRLQNSXISBKA-JTQLQIEISA-N 1 0 240.351 0.559 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000801924397 644845332 /nfs/dbraw/zinc/84/53/32/644845332.db2.gz OPFCTLVLWWNFAC-MNOVXSKESA-N 1 0 239.319 0.502 20 30 BCEDRO C[C@H](C#N)OCCN1CC[N@H+](C)[C@@H](C)[C@@H]1C ZINC000801940682 644846181 /nfs/dbraw/zinc/84/61/81/644846181.db2.gz PPKLQXMVDVVRIE-WOPDTQHZSA-N 1 0 225.336 0.939 20 30 BCEDRO [NH2+]=C(NCc1nnc2n1CCC2)N1CCCCC1 ZINC000303786485 644847029 /nfs/dbraw/zinc/84/70/29/644847029.db2.gz RLLBKTKKTQVSSI-UHFFFAOYSA-N 1 0 248.334 0.525 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCC(=O)OC(C)C ZINC000303777122 644847083 /nfs/dbraw/zinc/84/70/83/644847083.db2.gz IRBAWWYOYWKJAH-VIFPVBQESA-N 1 0 245.323 0.267 20 30 BCEDRO CCCCCCNC(=[NH2+])NCC(=O)NC1CC1 ZINC000303782711 644847090 /nfs/dbraw/zinc/84/70/90/644847090.db2.gz NMORDNHMKNZFSG-UHFFFAOYSA-N 1 0 240.351 0.750 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCNC(=O)C(C)C ZINC000303793056 644848187 /nfs/dbraw/zinc/84/81/87/644848187.db2.gz YWSPUZNJCLMHGW-UHFFFAOYSA-N 1 0 228.340 0.415 20 30 BCEDRO Cc1nc2sccn2c1C=NNC(N)=[NH2+] ZINC000252447801 644850377 /nfs/dbraw/zinc/85/03/77/644850377.db2.gz PDXQXAXSBUBEIG-UHFFFAOYSA-N 1 0 222.277 0.521 20 30 BCEDRO COCCOCC[NH+]=C(N(C)C)N(C)C ZINC000303863992 644850469 /nfs/dbraw/zinc/85/04/69/644850469.db2.gz AUEGYCQWFWIMAV-UHFFFAOYSA-N 1 0 217.313 0.129 20 30 BCEDRO CCCCOCCNC(=[NH2+])N[C@H](C)COC ZINC000303890841 644854501 /nfs/dbraw/zinc/85/45/01/644854501.db2.gz QFCJASGDYJKLBN-SNVBAGLBSA-N 1 0 231.340 0.742 20 30 BCEDRO Cc1csc2nc(C)c(C=NNC(N)=[NH2+])n12 ZINC000252446721 644851059 /nfs/dbraw/zinc/85/10/59/644851059.db2.gz AGKQGPISLWJULO-UHFFFAOYSA-N 1 0 236.304 0.830 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCCC(=O)N(C)C)C1 ZINC000303875984 644851525 /nfs/dbraw/zinc/85/15/25/644851525.db2.gz HWJKEPYJBXOGRN-JTQLQIEISA-N 1 0 240.351 0.511 20 30 BCEDRO CCCNC(=[NH2+])NCCc1c(C)nn(C)c1C ZINC000303870740 644851692 /nfs/dbraw/zinc/85/16/92/644851692.db2.gz FLMQKZNKZNUEQV-UHFFFAOYSA-N 1 0 237.351 0.894 20 30 BCEDRO C[C@@H]1C[C@H]1NC(=[NH2+])NCCc1ccccn1 ZINC000303896298 644855533 /nfs/dbraw/zinc/85/55/33/644855533.db2.gz UJJLIJDZYJOGAF-MWLCHTKSSA-N 1 0 218.304 0.937 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000303989653 644862327 /nfs/dbraw/zinc/86/23/27/644862327.db2.gz XUFUPCLLZPVGKV-UHFFFAOYSA-N 1 0 242.367 0.805 20 30 BCEDRO CCC(O)(CC)CNC(=[NH2+])N1CCSCC1 ZINC000303983927 644863082 /nfs/dbraw/zinc/86/30/82/644863082.db2.gz RPKWRZVMBIVHQU-UHFFFAOYSA-N 1 0 245.392 0.901 20 30 BCEDRO COc1ccc(O)c(CNC(=[NH2+])NC2CC2)c1 ZINC000304140979 644871844 /nfs/dbraw/zinc/87/18/44/644871844.db2.gz UZGRBKBIGIDWBD-UHFFFAOYSA-N 1 0 235.287 0.968 20 30 BCEDRO CC[N@@H+]1CCN(CCO[C@H](C)C#N)C[C@H]1C ZINC000304231581 644878732 /nfs/dbraw/zinc/87/87/32/644878732.db2.gz KYIJZFXDDFLGMB-VXGBXAGGSA-N 1 0 225.336 0.941 20 30 BCEDRO C[C@@H](C#N)OCCN1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000304262421 644883916 /nfs/dbraw/zinc/88/39/16/644883916.db2.gz UDYLSHDSBMUULI-TUAOUCFPSA-N 1 0 225.336 0.939 20 30 BCEDRO COCC[NH+](CCOC)CCO[C@H](C)C#N ZINC000304270365 644884123 /nfs/dbraw/zinc/88/41/23/644884123.db2.gz VNYLAMUDNBWWRG-LLVKDONJSA-N 1 0 230.308 0.510 20 30 BCEDRO COCC[NH+](CCOC)CCO[C@@H](C)C#N ZINC000304270367 644884433 /nfs/dbraw/zinc/88/44/33/644884433.db2.gz VNYLAMUDNBWWRG-NSHDSACASA-N 1 0 230.308 0.510 20 30 BCEDRO C[C@@H](C#N)OCCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000304295050 644887886 /nfs/dbraw/zinc/88/78/86/644887886.db2.gz ZOISXSUHUUSYMZ-RYUDHWBXSA-N 1 0 225.336 0.941 20 30 BCEDRO N#CC[C@@H](O)CN1CC[NH+](CC2CC2)CC1 ZINC000809572103 644892389 /nfs/dbraw/zinc/89/23/89/644892389.db2.gz HKZBCFHIPUPRSK-GFCCVEGCSA-N 1 0 223.320 0.289 20 30 BCEDRO CCNC(NCCn1cnnc1CC)=[NH+]CC ZINC000304353747 644895311 /nfs/dbraw/zinc/89/53/11/644895311.db2.gz VZURQPZIENJLHJ-UHFFFAOYSA-N 1 0 238.339 0.416 20 30 BCEDRO CCOCCCNC(=[NH2+])NCC(C)(C)OC ZINC000304473484 644909631 /nfs/dbraw/zinc/90/96/31/644909631.db2.gz FOCZDMBEJQPOTD-UHFFFAOYSA-N 1 0 231.340 0.742 20 30 BCEDRO CC(C)NC(=[NH2+])NCCCNC(=O)C1CCC1 ZINC000304670617 644925120 /nfs/dbraw/zinc/92/51/20/644925120.db2.gz BZNAUQIOMGPMPO-UHFFFAOYSA-N 1 0 240.351 0.606 20 30 BCEDRO CCCNC(=[NH2+])NCC1(CS(C)(=O)=O)CC1 ZINC000304669083 644925210 /nfs/dbraw/zinc/92/52/10/644925210.db2.gz LQGMTCSZRKVNSR-UHFFFAOYSA-N 1 0 247.364 0.126 20 30 BCEDRO CCCCNC(=[NH2+])NC[C@H]1CCC[C@@H]1O ZINC000304748350 644927195 /nfs/dbraw/zinc/92/71/95/644927195.db2.gz HDFDBXMARFXNGY-ZJUUUORDSA-N 1 0 213.325 0.852 20 30 BCEDRO [NH2+]=C(NCCCNC(=O)C1CCC1)NC1CC1 ZINC000304702873 644927566 /nfs/dbraw/zinc/92/75/66/644927566.db2.gz JYMKDZMEAGIXFW-UHFFFAOYSA-N 1 0 238.335 0.360 20 30 BCEDRO CC1(CNC(=[NH2+])N2CCSCC2)COC1 ZINC000304750274 644928923 /nfs/dbraw/zinc/92/89/23/644928923.db2.gz IFFNGHHDEUVKML-UHFFFAOYSA-N 1 0 229.349 0.386 20 30 BCEDRO CC(C)NC(=[NH2+])NCC[S@](=O)C(C)(C)C ZINC000304750295 644929334 /nfs/dbraw/zinc/92/93/34/644929334.db2.gz IFYHPSXPWKBYIC-HNNXBMFYSA-N 1 0 233.381 0.846 20 30 BCEDRO CC1(CNC(=[NH2+])NCC2CCC2)COC1 ZINC000304757930 644930738 /nfs/dbraw/zinc/93/07/38/644930738.db2.gz PJFBIXHLUDZWAQ-UHFFFAOYSA-N 1 0 211.309 0.727 20 30 BCEDRO CCCNC(=[NH2+])NCCCOC[C@@H]1CCOC1 ZINC000304759115 644931627 /nfs/dbraw/zinc/93/16/27/644931627.db2.gz QUEUAZVWOJGMPP-NSHDSACASA-N 1 0 243.351 0.744 20 30 BCEDRO CCOC(=O)c1ccc(CNC(N)=[NH2+])o1 ZINC000304783620 644932485 /nfs/dbraw/zinc/93/24/85/644932485.db2.gz NBVLMYPSWDDELZ-UHFFFAOYSA-N 1 0 211.221 0.230 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ncc(C)s1 ZINC000304810993 644934152 /nfs/dbraw/zinc/93/41/52/644934152.db2.gz WWEXOBOAUDYWAE-SSDOTTSWSA-N 1 0 242.348 0.891 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000253188123 644943096 /nfs/dbraw/zinc/94/30/96/644943096.db2.gz JPOWAACFWGUEQC-WDEREUQCSA-N 1 0 225.336 0.205 20 30 BCEDRO C#CCNC(=O)CC[N@H+](C)CCOC(C)(C)C ZINC000815061832 644949138 /nfs/dbraw/zinc/94/91/38/644949138.db2.gz JMYRESKNMSTXAX-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO N#CCCOCC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000815090785 644951372 /nfs/dbraw/zinc/95/13/72/644951372.db2.gz NHCOZBLXWKIARX-WDEREUQCSA-N 1 0 239.319 0.550 20 30 BCEDRO C[C@@H]1CC[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1 ZINC000819250201 645009081 /nfs/dbraw/zinc/00/90/81/645009081.db2.gz UUSIEPONGFGXMI-JHJVBQTASA-N 1 0 239.363 0.971 20 30 BCEDRO N#CCC[NH2+]C[C@@H](O)COCc1ccco1 ZINC000819269941 645009675 /nfs/dbraw/zinc/00/96/75/645009675.db2.gz QZGZNZHWPWDUDV-SNVBAGLBSA-N 1 0 224.260 0.660 20 30 BCEDRO CC[C@@H](O)C[NH2+]Cc1ccc(C#N)cn1 ZINC000819313063 645010554 /nfs/dbraw/zinc/01/05/54/645010554.db2.gz XIMAMCMSMHCFCX-LLVKDONJSA-N 1 0 205.261 0.814 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000827533390 645081380 /nfs/dbraw/zinc/08/13/80/645081380.db2.gz UCQVXAAAOVPJCI-UWVGGRQHSA-N 1 0 214.309 0.236 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829998481 645113613 /nfs/dbraw/zinc/11/36/13/645113613.db2.gz MKUBPBZBXYQFSC-GHMZBOCLSA-N 1 0 223.276 0.266 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)C1CC1 ZINC000834362541 645138382 /nfs/dbraw/zinc/13/83/82/645138382.db2.gz CWZGBOOOOSLSRY-SNVBAGLBSA-N 1 0 208.305 0.762 20 30 BCEDRO C#C[C@H](CCC)NC(=O)C1([NH+](C)C)CC1 ZINC000834364365 645140418 /nfs/dbraw/zinc/14/04/18/645140418.db2.gz YMGPYGDGKOMEMG-SNVBAGLBSA-N 1 0 208.305 0.999 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCc1ccncc1 ZINC000834521214 645142633 /nfs/dbraw/zinc/14/26/33/645142633.db2.gz DYFABRGUCJXGPZ-NEPJUHHUSA-N 1 0 244.298 0.242 20 30 BCEDRO Cc1ncccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834484267 645143519 /nfs/dbraw/zinc/14/35/19/645143519.db2.gz GMPSYEZJJXRLQS-MWLCHTKSSA-N 1 0 230.271 0.231 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@@H](C)OC ZINC000836831600 645179314 /nfs/dbraw/zinc/17/93/14/645179314.db2.gz GHQDGWYUAJUZPY-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H](C)[C@@H]1C[NH3+] ZINC000841506591 645217555 /nfs/dbraw/zinc/21/75/55/645217555.db2.gz OMYHYGRNKTVFQV-ZJUUUORDSA-N 1 0 209.293 0.388 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C[C@H]1CCC(=O)N1 ZINC000926527318 645255534 /nfs/dbraw/zinc/25/55/34/645255534.db2.gz QSHGUOIMWGQCRO-KKOKHZNYSA-N 1 0 238.331 0.977 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000843077340 645260801 /nfs/dbraw/zinc/26/08/01/645260801.db2.gz NKNZRNYSZODUJK-ZYHUDNBSSA-N 1 0 238.262 0.228 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)CCC(C)C ZINC000843078742 645262241 /nfs/dbraw/zinc/26/22/41/645262241.db2.gz WFMYIZZONUUJHV-RYUDHWBXSA-N 1 0 213.321 0.757 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H](O)C2)cc1 ZINC000843091575 645263871 /nfs/dbraw/zinc/26/38/71/645263871.db2.gz KSKAMVJMPRPAPB-FRRDWIJNSA-N 1 0 232.283 0.705 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2CO[C@H](C)[C@@H]2C)nn1 ZINC000926611440 645313391 /nfs/dbraw/zinc/31/33/91/645313391.db2.gz MIXXNVBNGIAIDI-HOSYDEDBSA-N 1 0 236.319 0.977 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CO)[C@H](C)CCC ZINC000844381005 645325621 /nfs/dbraw/zinc/32/56/21/645325621.db2.gz ZRHVAPNTBYQHAC-GHMZBOCLSA-N 1 0 226.320 0.123 20 30 BCEDRO C=CCCc1noc([C@]23C[NH2+]C[C@H]2COC3)n1 ZINC000844921074 645348358 /nfs/dbraw/zinc/34/83/58/645348358.db2.gz XHGUIIIUUPGIIR-CABZTGNLSA-N 1 0 235.287 0.676 20 30 BCEDRO C=C(C)CONC(=O)N[C@@H](C)C[NH+](C)C ZINC000845608297 645370860 /nfs/dbraw/zinc/37/08/60/645370860.db2.gz HOKIJQDDCFKGHF-VIFPVBQESA-N 1 0 215.297 0.743 20 30 BCEDRO C[C@@H](CC(C)(C)C#N)[NH2+][C@@H]1COC[C@@H]1O ZINC000926779263 645425038 /nfs/dbraw/zinc/42/50/38/645425038.db2.gz RZTXQACIPZMIBU-AEJSXWLSSA-N 1 0 212.293 0.664 20 30 BCEDRO C[C@H](O)CCC[NH+]=C(N(C)C)N(C)C ZINC000849023516 645447492 /nfs/dbraw/zinc/44/74/92/645447492.db2.gz BULMYQPWFLFYOC-VIFPVBQESA-N 1 0 201.314 0.627 20 30 BCEDRO C=CCN(C)C(=O)NC[C@H](C[NH+](C)C)OCC ZINC000926839718 645449278 /nfs/dbraw/zinc/44/92/78/645449278.db2.gz AEQGMKGOLYNDIM-LLVKDONJSA-N 1 0 243.351 0.781 20 30 BCEDRO C=CCN(C)C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000926839719 645449769 /nfs/dbraw/zinc/44/97/69/645449769.db2.gz AEQGMKGOLYNDIM-NSHDSACASA-N 1 0 243.351 0.781 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cnnn1C ZINC000926866958 645463006 /nfs/dbraw/zinc/46/30/06/645463006.db2.gz ZTKGIZWUKLJROB-VHSXEESVSA-N 1 0 224.308 0.793 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2COC[C@H]2C)C1 ZINC000926868811 645465813 /nfs/dbraw/zinc/46/58/13/645465813.db2.gz QXHXZHNBVUJQGK-AGIUHOORSA-N 1 0 222.332 0.709 20 30 BCEDRO C#CCOCC[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000852203312 645472694 /nfs/dbraw/zinc/47/26/94/645472694.db2.gz YQNPFWOTMUKEAW-GHMZBOCLSA-N 1 0 225.288 0.377 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@@H]2CCN(CC)C2=O)C1 ZINC000852216648 645476846 /nfs/dbraw/zinc/47/68/46/645476846.db2.gz JGBGLGQDTBTMIE-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO C[C@H]1COC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927169101 645583593 /nfs/dbraw/zinc/58/35/93/645583593.db2.gz WFLYIPLSQWKMNR-CMPLNLGQSA-N 1 0 246.314 0.990 20 30 BCEDRO C[C@H](C(=O)N1CCC[C@@H](C#N)C1)[NH+](C)C ZINC000928211577 645710257 /nfs/dbraw/zinc/71/02/57/645710257.db2.gz KVUBOPGXXKAZPY-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO C[NH+](C)CCNC(=O)c1coc(C#N)c1 ZINC000864416397 645714915 /nfs/dbraw/zinc/71/49/15/645714915.db2.gz SWQZERQQDJSXNL-UHFFFAOYSA-N 1 0 207.233 0.443 20 30 BCEDRO C#CCSCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928425733 645743175 /nfs/dbraw/zinc/74/31/75/645743175.db2.gz KNOFJTQAEMLDEU-NXEZZACHSA-N 1 0 226.345 0.562 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)c2coc(C#N)c2)CC[N@@H+]1C ZINC000928425142 645743517 /nfs/dbraw/zinc/74/35/17/645743517.db2.gz AGCWAOVAEOOXEG-KWQFWETISA-N 1 0 233.271 0.974 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928437556 645756714 /nfs/dbraw/zinc/75/67/14/645756714.db2.gz XHOFMLJLNHQXFJ-AXFHLTTASA-N 1 0 224.304 0.234 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(C(=O)NCCC#N)CC[C@@H]21 ZINC000875540877 645778715 /nfs/dbraw/zinc/77/87/15/645778715.db2.gz MRGJPDNDTOKDKY-QWRGUYRKSA-N 1 0 236.319 0.636 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1C ZINC000928553633 645809753 /nfs/dbraw/zinc/80/97/53/645809753.db2.gz HLNGXHKKXNOSJE-AXFHLTTASA-N 1 0 224.304 0.398 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)Cc1cccc(C#N)c1 ZINC000928562825 645823549 /nfs/dbraw/zinc/82/35/49/645823549.db2.gz IKGXWCVNNMRDSQ-ZDUSSCGKSA-N 1 0 243.310 0.921 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@H](O)CC)CC1 ZINC000880479333 645832487 /nfs/dbraw/zinc/83/24/87/645832487.db2.gz NLNMFIVANIXKLU-LLVKDONJSA-N 1 0 211.305 0.608 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CCC=CO2)CC1 ZINC000928653866 645852463 /nfs/dbraw/zinc/85/24/63/645852463.db2.gz DDDLSSNIXYYCBJ-CYBMUJFWSA-N 1 0 248.326 0.893 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C#CC2CC2)CC1 ZINC000928648709 645853264 /nfs/dbraw/zinc/85/32/64/645853264.db2.gz AFZGWMFXDHXSRQ-UHFFFAOYSA-N 1 0 230.311 0.614 20 30 BCEDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884271101 645873322 /nfs/dbraw/zinc/87/33/22/645873322.db2.gz XUBLVUXZJPRJIG-SCZZXKLOSA-N 1 0 232.287 0.614 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1COC[C@H]1C ZINC000928919890 645894368 /nfs/dbraw/zinc/89/43/68/645894368.db2.gz QQOSYSDYHJWMHX-MNOVXSKESA-N 1 0 226.320 0.645 20 30 BCEDRO C[C@H](O)[C@@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000929162907 645981910 /nfs/dbraw/zinc/98/19/10/645981910.db2.gz VUYWIEGFJCCPEJ-GWCFXTLKSA-N 1 0 234.299 0.732 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCN(C(=O)CC)CC1 ZINC000929318158 646077964 /nfs/dbraw/zinc/07/79/64/646077964.db2.gz DVENACYLKWZZNV-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO CCOC1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929327310 646083213 /nfs/dbraw/zinc/08/32/13/646083213.db2.gz GXAGAQOAIZKITO-SNVBAGLBSA-N 1 0 212.293 0.762 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)[C@@H](C)O)C1CCCCC1 ZINC000929362812 646095893 /nfs/dbraw/zinc/09/58/93/646095893.db2.gz WOBQOQVCODJQPB-YPMHNXCESA-N 1 0 225.332 0.996 20 30 BCEDRO C[NH+](C)C[C@H]1NC(=O)N(CC(C)(C)C#N)C1=O ZINC000924850556 646119209 /nfs/dbraw/zinc/11/92/09/646119209.db2.gz UVYSDPWQVSCPFQ-MRVPVSSYSA-N 1 0 238.291 0.018 20 30 BCEDRO C=C(CC)CN1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924918122 646132615 /nfs/dbraw/zinc/13/26/15/646132615.db2.gz QAKMHPAOJUZKQV-VIFPVBQESA-N 1 0 225.292 0.435 20 30 BCEDRO C[N@@H+]1C[C@@H](O)C[C@H]1CNC(=O)C#CC(C)(C)C ZINC000924978872 646147422 /nfs/dbraw/zinc/14/74/22/646147422.db2.gz LLXLJVLJJINGDX-QWRGUYRKSA-N 1 0 238.331 0.217 20 30 BCEDRO C[C@@H]1OC[C@@H]([NH2+]C2CCN(CC#N)CC2)[C@@H]1C ZINC000925003022 646155567 /nfs/dbraw/zinc/15/55/67/646155567.db2.gz MFQRZNRKNHXIQJ-NTZNESFSSA-N 1 0 237.347 0.987 20 30 BCEDRO CN(CC[NH+]1CCCC1)C[C@H](O)CC#N ZINC000929633186 646213985 /nfs/dbraw/zinc/21/39/85/646213985.db2.gz ZXIDHJPKLMNLRO-LLVKDONJSA-N 1 0 211.309 0.289 20 30 BCEDRO N#CC[C@@H](O)C[NH2+]C1(CO)Cc2ccccc2C1 ZINC000929645947 646218323 /nfs/dbraw/zinc/21/83/23/646218323.db2.gz JGORFHVXHSLHFO-CYBMUJFWSA-N 1 0 246.310 0.380 20 30 BCEDRO C#CCN1C(=O)N[C@H](C[NH+]2CCCCC2)C1=O ZINC000925274600 646227990 /nfs/dbraw/zinc/22/79/90/646227990.db2.gz MUUZKOYKQTXZTG-SNVBAGLBSA-N 1 0 235.287 0.026 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925324311 646239229 /nfs/dbraw/zinc/23/92/29/646239229.db2.gz CSHSMBCBLOMNPY-QWHCGFSZSA-N 1 0 247.342 0.747 20 30 BCEDRO CC[C@@H](O)[C@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000929684432 646242440 /nfs/dbraw/zinc/24/24/40/646242440.db2.gz GWYZKUUDXFBAMF-IJLUTSLNSA-N 1 0 226.320 0.886 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CC[C@](F)(C#N)C1 ZINC000925419888 646272694 /nfs/dbraw/zinc/27/26/94/646272694.db2.gz GZBKGPTWJBQLNI-ONGXEEELSA-N 1 0 240.282 0.338 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC[C@H](C#N)C1 ZINC000925432769 646277547 /nfs/dbraw/zinc/27/75/47/646277547.db2.gz OXJCPUIZKQGOLD-GHMZBOCLSA-N 1 0 236.319 0.636 20 30 BCEDRO C=CC[C@H](C)[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000925433598 646281971 /nfs/dbraw/zinc/28/19/71/646281971.db2.gz ZHRVNNMWWNIXJO-WDEREUQCSA-N 1 0 238.331 0.836 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)c1cnnn1C ZINC000925455175 646286280 /nfs/dbraw/zinc/28/62/80/646286280.db2.gz LEYUVLIFSCKTSP-SECBINFHSA-N 1 0 224.333 0.832 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(CC(=O)NC)CC1 ZINC000929768303 646296085 /nfs/dbraw/zinc/29/60/85/646296085.db2.gz RASPCUOFYIPREV-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000929776353 646305508 /nfs/dbraw/zinc/30/55/08/646305508.db2.gz KIRUGNWWOQTHAA-NXEZZACHSA-N 1 0 214.309 0.237 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000929776356 646305962 /nfs/dbraw/zinc/30/59/62/646305962.db2.gz KIRUGNWWOQTHAA-ZJUUUORDSA-N 1 0 214.309 0.237 20 30 BCEDRO COC[C@@](C)(CCO)[NH2+]Cc1cncc(C#N)c1 ZINC000929822623 646339050 /nfs/dbraw/zinc/33/90/50/646339050.db2.gz HXABVNCYDRJDRH-CYBMUJFWSA-N 1 0 249.314 0.830 20 30 BCEDRO C=CC[C@@H](CO)CN[C@@H]1CC[NH2+]C1(C)C ZINC000925630904 646376691 /nfs/dbraw/zinc/37/66/91/646376691.db2.gz SJCBXCJIDLYNMT-GHMZBOCLSA-N 1 0 212.337 0.901 20 30 BCEDRO CC(C)[NH2+][C@@H]1CCCN(C[C@H](O)CC#N)C1 ZINC000929969083 646382242 /nfs/dbraw/zinc/38/22/42/646382242.db2.gz JARCGYRAFYLHDZ-VXGBXAGGSA-N 1 0 225.336 0.723 20 30 BCEDRO COC(=O)CC(C)(C)[NH2+]C[C@H](O)CC#N ZINC000930030451 646402843 /nfs/dbraw/zinc/40/28/43/646402843.db2.gz ATTDUQFQXUGCGL-MRVPVSSYSA-N 1 0 214.265 0.192 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cnnn1C ZINC000925698657 646423067 /nfs/dbraw/zinc/42/30/67/646423067.db2.gz SYUOOGUZFOQLCC-ZJUUUORDSA-N 1 0 224.308 0.650 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC1(OC)OC ZINC000925698618 646423073 /nfs/dbraw/zinc/42/30/73/646423073.db2.gz STFXGUKLWLCDNC-WDEREUQCSA-N 1 0 229.320 0.912 20 30 BCEDRO CS[C@@H]1CN(C[C@H](O)CC#N)C[C@@H]1[NH+](C)C ZINC000930129119 646452983 /nfs/dbraw/zinc/45/29/83/646452983.db2.gz SDIZPSJUSLCWOE-OUAUKWLOSA-N 1 0 243.376 0.238 20 30 BCEDRO C=C(C)C[C@H](CO)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000925772078 646472248 /nfs/dbraw/zinc/47/22/48/646472248.db2.gz PYQBGENJUODRJO-BSCCGWMCSA-N 1 0 236.359 0.900 20 30 BCEDRO C[N@@H+]1CCCC12CCN(C[C@H](O)CC#N)CC2 ZINC000930171575 646473739 /nfs/dbraw/zinc/47/37/39/646473739.db2.gz RSYSKZCXWNDIRK-GFCCVEGCSA-N 1 0 237.347 0.821 20 30 BCEDRO N#Cc1ccc(NCCN[C@H]2CCC[C@H]2[NH3+])nc1 ZINC000925892985 646535697 /nfs/dbraw/zinc/53/56/97/646535697.db2.gz JDSIQJGNYYGXCI-NEPJUHHUSA-N 1 0 245.330 0.835 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)C(C)(C)CO ZINC000926127673 646580828 /nfs/dbraw/zinc/58/08/28/646580828.db2.gz YNMXUYFOSYGNMA-SNVBAGLBSA-N 1 0 249.376 0.584 20 30 BCEDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CCCC#N ZINC000926131570 646580946 /nfs/dbraw/zinc/58/09/46/646580946.db2.gz FWEUGBKTKKLWMQ-NXEZZACHSA-N 1 0 209.293 0.937 20 30 BCEDRO CSC1CC([NH2+]CCn2cnc(C#N)n2)C1 ZINC000926409226 646631413 /nfs/dbraw/zinc/63/14/13/646631413.db2.gz GQNAJKLEHXGQHL-UHFFFAOYSA-N 1 0 237.332 0.633 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@H](C)c1cnnn1C ZINC000926489597 646658824 /nfs/dbraw/zinc/65/88/24/646658824.db2.gz IUXBCXLVVPLGIZ-LLVKDONJSA-N 1 0 235.335 0.421 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@H]1C[C@H](C)n2ncnc21 ZINC000926491663 646660669 /nfs/dbraw/zinc/66/06/69/646660669.db2.gz YUNORQSHYVPTBX-RYUDHWBXSA-N 1 0 247.346 0.829 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@@H](C)c1cnn(C)n1 ZINC000926490711 646661259 /nfs/dbraw/zinc/66/12/59/646661259.db2.gz QEWWJCVFPALRDP-NSHDSACASA-N 1 0 235.335 0.421 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H](CC[NH3+])C1 ZINC000723712234 711535352 /nfs/dbraw/zinc/53/53/52/711535352.db2.gz OPDFTHWTLPYWJE-SNVBAGLBSA-N 1 0 232.349 0.563 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)C(C)(C)OC ZINC000309645031 711659398 /nfs/dbraw/zinc/65/93/98/711659398.db2.gz LXSPQOYMHFGHIY-JTQLQIEISA-N 1 0 249.376 0.990 20 30 BCEDRO C=CCNC(=S)NC[C@@H](C)[NH+](C)C ZINC000393722353 711676736 /nfs/dbraw/zinc/67/67/36/711676736.db2.gz MCMOMDBHLQRUPG-MRVPVSSYSA-N 1 0 201.339 0.587 20 30 BCEDRO C#CCN1CC[C@@H]1CNC(=O)[C@H]1CCCCO1 ZINC001038154895 711753179 /nfs/dbraw/zinc/75/31/79/711753179.db2.gz QDRLQWHZXWTPAP-VXGBXAGGSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662302 711807240 /nfs/dbraw/zinc/80/72/40/711807240.db2.gz BXWFRPPWWCASBV-GHMZBOCLSA-N 1 0 224.304 0.134 20 30 BCEDRO CCc1[nH]ccc1C(=O)NCC#CC[NH+](C)C ZINC000913522422 711824125 /nfs/dbraw/zinc/82/41/25/711824125.db2.gz IUNVUVBVSMBSIN-UHFFFAOYSA-N 1 0 233.315 0.872 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1CC12CC2 ZINC000913523104 711823104 /nfs/dbraw/zinc/82/31/04/711823104.db2.gz MELISSSXXSGMAZ-JTQLQIEISA-N 1 0 206.289 0.468 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2C[C@@H](C)CO2)C1 ZINC001031858154 711893604 /nfs/dbraw/zinc/89/36/04/711893604.db2.gz QJRRZCWQLIGJIN-PWSUYJOCSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CC2(F)F)C1 ZINC001033063441 711973808 /nfs/dbraw/zinc/97/38/08/711973808.db2.gz BDWYIYYTRHTRKC-UWVGGRQHSA-N 1 0 242.269 0.808 20 30 BCEDRO C=CC[NH2+][C@H]1COCCC1(OC)OC ZINC000704684371 712113343 /nfs/dbraw/zinc/11/33/43/712113343.db2.gz BDZQPAITRZBWGS-VIFPVBQESA-N 1 0 201.266 0.540 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(F)F)C[C@@H]1C ZINC001035880029 712146661 /nfs/dbraw/zinc/14/66/61/712146661.db2.gz XWLMWJJMAMABRU-IUCAKERBSA-N 1 0 230.258 0.711 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000707286579 712168321 /nfs/dbraw/zinc/16/83/21/712168321.db2.gz FXRZKKAENXVUOG-UWVGGRQHSA-N 1 0 242.319 0.547 20 30 BCEDRO C[C@H](O)[C@@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000708314143 712186376 /nfs/dbraw/zinc/18/63/76/712186376.db2.gz ZEXHKKYWBYQICI-QWRGUYRKSA-N 1 0 239.319 0.252 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2CN(C(C)=O)CC[C@H]21 ZINC001036604574 712199516 /nfs/dbraw/zinc/19/95/16/712199516.db2.gz HIRKHQKRIZZAMJ-NWDGAFQWSA-N 1 0 206.289 0.562 20 30 BCEDRO C=CCOCC[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000709823459 712228581 /nfs/dbraw/zinc/22/85/81/712228581.db2.gz BYISVQGADLDIET-NWDGAFQWSA-N 1 0 229.320 0.254 20 30 BCEDRO C#CCCS(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000711065672 712278364 /nfs/dbraw/zinc/27/83/64/712278364.db2.gz UKZCWWYVYRBFBQ-NSHDSACASA-N 1 0 244.360 0.366 20 30 BCEDRO CC(=[NH+]NC[C@@H](C)O)c1ccc(N)cc1 ZINC000378860313 712363604 /nfs/dbraw/zinc/36/36/04/712363604.db2.gz ORTAVABETPKXRU-MRVPVSSYSA-N 1 0 207.277 0.963 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000715044729 712504631 /nfs/dbraw/zinc/50/46/31/712504631.db2.gz ZSHPWAXHZSMBDT-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C#C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC000715769111 712532485 /nfs/dbraw/zinc/53/24/85/712532485.db2.gz NCWGMFWEEKJTIX-LLVKDONJSA-N 1 0 220.316 0.856 20 30 BCEDRO CCN(CC#N)C(=O)C12CC[NH+](CC1)C2 ZINC000715815025 712533694 /nfs/dbraw/zinc/53/36/94/712533694.db2.gz COLQSFRPRGMKCS-UHFFFAOYSA-N 1 0 207.277 0.454 20 30 BCEDRO C#CCCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716121321 712550608 /nfs/dbraw/zinc/55/06/08/712550608.db2.gz QOXONRSOFWLSDR-UHFFFAOYSA-N 1 0 215.318 0.565 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716160945 712552953 /nfs/dbraw/zinc/55/29/53/712552953.db2.gz XIPWOSYBFFSHTC-KPPDAEKUSA-N 1 0 247.360 0.479 20 30 BCEDRO C#CC[C@H](COC)[NH2+]CCS(=O)(=O)CC ZINC000716340027 712555354 /nfs/dbraw/zinc/55/53/54/712555354.db2.gz LPGZDXUGJOXJNL-SNVBAGLBSA-N 1 0 233.333 0.049 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1c[nH]nc1C ZINC000716928315 712596520 /nfs/dbraw/zinc/59/65/20/712596520.db2.gz HQQOTEQHWCIHAI-LLVKDONJSA-N 1 0 207.277 0.846 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)C[C@@H]1CCOC1 ZINC000379817636 712611608 /nfs/dbraw/zinc/61/16/08/712611608.db2.gz RDLZRXHREQOMBG-MNOVXSKESA-N 1 0 212.293 0.883 20 30 BCEDRO C=CCC1(O)CC[NH+](CC(=O)NCC)CC1 ZINC000717421780 712657336 /nfs/dbraw/zinc/65/73/36/712657336.db2.gz DAPUCZCHLPVTCF-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccnc(OC)n1 ZINC000717711396 712666211 /nfs/dbraw/zinc/66/62/11/712666211.db2.gz XPCGHNUHJYTAMU-NSHDSACASA-N 1 0 235.287 0.349 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cncc(OC)c1 ZINC000717732098 712668119 /nfs/dbraw/zinc/66/81/19/712668119.db2.gz GNPRDXFSGGAOCY-LLVKDONJSA-N 1 0 220.272 0.564 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cn(C)nc1CC ZINC000717813629 712681073 /nfs/dbraw/zinc/68/10/73/712681073.db2.gz MHMKNGOGVISYBE-NSHDSACASA-N 1 0 221.304 0.456 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CSC)[C@H]1CCCO1 ZINC000380159125 712702341 /nfs/dbraw/zinc/70/23/41/712702341.db2.gz AEIXQCWBKOIPOA-GARJFASQSA-N 1 0 229.345 0.481 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000718163639 712750450 /nfs/dbraw/zinc/75/04/50/712750450.db2.gz HKWSEWZFHHTFBH-WISYIIOYSA-N 1 0 238.331 0.358 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000718227023 712754599 /nfs/dbraw/zinc/75/45/99/712754599.db2.gz RSHDUFYRCKMZHC-MXWKQRLJSA-N 1 0 210.277 0.493 20 30 BCEDRO CC[C@H](CO)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000037888153 712781042 /nfs/dbraw/zinc/78/10/42/712781042.db2.gz ARVQDSDQJKMIIY-OLZOCXBDSA-N 1 0 234.299 0.952 20 30 BCEDRO C[C@@H]1[C@@H](Nc2ncncc2C#N)CC[N@@H+]1C ZINC000719605366 712816372 /nfs/dbraw/zinc/81/63/72/712816372.db2.gz XUWNIZISJMOQMP-SCZZXKLOSA-N 1 0 217.276 0.275 20 30 BCEDRO C[C@H]1[C@@H](Nc2cncc(C#N)n2)CC[N@@H+]1C ZINC000719772580 712823904 /nfs/dbraw/zinc/82/39/04/712823904.db2.gz BFCSWEOYGBOIDQ-WPRPVWTQSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@H]1[C@H](Nc2cc(C#N)cnn2)CC[N@@H+]1C ZINC000719772564 712824189 /nfs/dbraw/zinc/82/41/89/712824189.db2.gz BEJMHYSITUXQKL-WCBMZHEXSA-N 1 0 217.276 0.853 20 30 BCEDRO C=CCNC(=O)NCC[C@@H]1C[NH2+]C[C@H]1C ZINC000721032644 712887806 /nfs/dbraw/zinc/88/78/06/712887806.db2.gz VZUIGUYEZSMPRD-NXEZZACHSA-N 1 0 211.309 0.717 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000381470866 710641792 /nfs/dbraw/zinc/64/17/92/710641792.db2.gz OJQRBKSBYNBZTR-WDEREUQCSA-N 1 0 247.360 0.602 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@H]1CCOC1 ZINC000381470864 710641393 /nfs/dbraw/zinc/64/13/93/710641393.db2.gz OJQRBKSBYNBZTR-MNOVXSKESA-N 1 0 247.360 0.602 20 30 BCEDRO C#C[C@H]([NH2+]CCn1cncn1)[C@H]1CCCO1 ZINC000381542219 710653072 /nfs/dbraw/zinc/65/30/72/710653072.db2.gz JCYGEIUZVUHHSS-WDEREUQCSA-N 1 0 220.276 0.049 20 30 BCEDRO CCCSCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000381622206 710662332 /nfs/dbraw/zinc/66/23/32/710662332.db2.gz CYDUWIXDWIQQAJ-BDAKNGLRSA-N 1 0 227.333 0.357 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(C)=O)C1 ZINC001018376422 710665751 /nfs/dbraw/zinc/66/57/51/710665751.db2.gz USMRGYFSJMDQGE-VIFPVBQESA-N 1 0 202.685 0.949 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001018703526 710667991 /nfs/dbraw/zinc/66/79/91/710667991.db2.gz TUWCPJITNARGRU-NSHDSACASA-N 1 0 245.282 0.225 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CC(C)C2)C1 ZINC001018692305 710668054 /nfs/dbraw/zinc/66/80/54/710668054.db2.gz CRPJUOAEOFBLAI-MCIGGMRASA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccc(F)cn2)C1 ZINC001018749873 710668760 /nfs/dbraw/zinc/66/87/60/710668760.db2.gz BYQFJMYLWQZLOB-NSHDSACASA-N 1 0 247.273 0.658 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)C(=O)N(C)C)[C@@H]1CCCO1 ZINC000393750011 710672429 /nfs/dbraw/zinc/67/24/29/710672429.db2.gz BLHZXMFYQJRZQN-VWYCJHECSA-N 1 0 224.304 0.234 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001019991943 710674039 /nfs/dbraw/zinc/67/40/39/710674039.db2.gz NHHMSIUOELFHPZ-XYPYZODXSA-N 1 0 248.330 0.765 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccn(C)c1 ZINC001038166540 710676580 /nfs/dbraw/zinc/67/65/80/710676580.db2.gz HEPOSQLNQFMSOP-ZDUSSCGKSA-N 1 0 245.326 0.853 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001038163484 710676768 /nfs/dbraw/zinc/67/67/68/710676768.db2.gz JJXQOPBGJTZGPX-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001038228016 710680989 /nfs/dbraw/zinc/68/09/89/710680989.db2.gz MZHQPHXWDKLUPT-JTQLQIEISA-N 1 0 232.287 0.237 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001038228017 710681326 /nfs/dbraw/zinc/68/13/26/710681326.db2.gz MZHQPHXWDKLUPT-SNVBAGLBSA-N 1 0 232.287 0.237 20 30 BCEDRO COC(=O)CC(C)(C)[NH2+]CCO[C@@H](C)C#N ZINC000381721495 710684454 /nfs/dbraw/zinc/68/44/54/710684454.db2.gz LXPQDOJRMVGZQA-VIFPVBQESA-N 1 0 228.292 0.846 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001038842444 710711200 /nfs/dbraw/zinc/71/12/00/710711200.db2.gz SOKVHCOPKLNLQL-VIFPVBQESA-N 1 0 235.291 0.185 20 30 BCEDRO CCNS(=O)(=O)CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000393790569 710719718 /nfs/dbraw/zinc/71/97/18/710719718.db2.gz DMZQXPUSNRMRAO-ZJUUUORDSA-N 1 0 245.348 0.208 20 30 BCEDRO C=CCN(C)C(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000381816912 710721971 /nfs/dbraw/zinc/72/19/71/710721971.db2.gz JPUILMMNRXOZGP-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCOCCNc1cc(C)[nH+]c(N)n1 ZINC000393808504 710759795 /nfs/dbraw/zinc/75/97/95/710759795.db2.gz ZHDJSNWCCAXGIQ-UHFFFAOYSA-N 1 0 208.265 0.234 20 30 BCEDRO CC(C)[C@](C)(CO)[NH2+]CCOCCC#N ZINC000382097424 710777067 /nfs/dbraw/zinc/77/70/67/710777067.db2.gz FFZDTBBZSCMJEP-NSHDSACASA-N 1 0 214.309 0.913 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)CC(=O)OCC ZINC000384179878 710805274 /nfs/dbraw/zinc/80/52/74/710805274.db2.gz PQXLWEPPKJQGKY-CMPLNLGQSA-N 1 0 227.304 0.692 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NCC1CC1 ZINC000384185020 710806857 /nfs/dbraw/zinc/80/68/57/710806857.db2.gz RXAINURYUUZUGT-LBPRGKRZSA-N 1 0 208.305 0.904 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnon2)[C@H](C)C1 ZINC001044786491 710831449 /nfs/dbraw/zinc/83/14/49/710831449.db2.gz BVOXNPKCJAXDOL-NXEZZACHSA-N 1 0 248.286 0.286 20 30 BCEDRO C=CCN1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044297176 710823629 /nfs/dbraw/zinc/82/36/29/710823629.db2.gz CIVYASCUQOZZLV-UHFFFAOYSA-N 1 0 237.347 0.411 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)CN(C)CCOC ZINC000384207541 710831826 /nfs/dbraw/zinc/83/18/26/710831826.db2.gz NUHFTSTURGARAS-OLZOCXBDSA-N 1 0 242.363 0.317 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cocn2)[C@@H](C)C1 ZINC001044490435 710828617 /nfs/dbraw/zinc/82/86/17/710828617.db2.gz PHWDDPBEOWXFLQ-WDEREUQCSA-N 1 0 247.298 0.891 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccon2)[C@H](C)C1 ZINC001044481393 710828723 /nfs/dbraw/zinc/82/87/23/710828723.db2.gz GALXTZRKQDLEBY-GHMZBOCLSA-N 1 0 247.298 0.891 20 30 BCEDRO C#CCN1CC[C@](C)(NC(=O)c2ccon2)C1 ZINC001046156580 710853170 /nfs/dbraw/zinc/85/31/70/710853170.db2.gz QMSHSOTVUKCFTR-LBPRGKRZSA-N 1 0 233.271 0.502 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046165399 710853176 /nfs/dbraw/zinc/85/31/76/710853176.db2.gz UCCIILQSVLBRCJ-CYBMUJFWSA-N 1 0 246.314 0.627 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2[nH]nnc2C)C1 ZINC001046530861 710860733 /nfs/dbraw/zinc/86/07/33/710860733.db2.gz JYYFAPMQPVQKLD-LBPRGKRZSA-N 1 0 249.318 0.493 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccoc3)C[C@H]2C1 ZINC001048676555 710885390 /nfs/dbraw/zinc/88/53/90/710885390.db2.gz FBXIBAGEKHELBJ-BETUJISGSA-N 1 0 244.294 0.917 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)OC)C[C@H]2C1 ZINC001048708057 710886191 /nfs/dbraw/zinc/88/61/91/710886191.db2.gz AYXWWEVSJUQIHC-SDDRHHMPSA-N 1 0 238.331 0.598 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cnco3)C[C@H]2C1 ZINC001048968901 710890189 /nfs/dbraw/zinc/89/01/89/710890189.db2.gz SQKHSOPBUWQCKK-PHIMTYICSA-N 1 0 245.282 0.312 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)COC)[C@@H]2C1 ZINC001049942636 710904185 /nfs/dbraw/zinc/90/41/85/710904185.db2.gz RDLXOFIDZPBEEH-NWDGAFQWSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001049999094 710906139 /nfs/dbraw/zinc/90/61/39/710906139.db2.gz SWLSAQVKVDBRNP-FRRDWIJNSA-N 1 0 245.326 0.702 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C2CCC2)C[C@@H]1C ZINC001054315038 710928624 /nfs/dbraw/zinc/92/86/24/710928624.db2.gz ZCGXHUCWHUUKQR-JQWIXIFHSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cccnc2)C[C@@H]1C ZINC001054328007 710929509 /nfs/dbraw/zinc/92/95/09/710929509.db2.gz AYUPWHBYBNKFKL-AAEUAGOBSA-N 1 0 243.310 0.765 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C(C)(F)F)C[C@@H]1C ZINC001054320693 710929701 /nfs/dbraw/zinc/92/97/01/710929701.db2.gz YLUIVSHTAGBVMY-IUCAKERBSA-N 1 0 230.258 0.711 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2ccnn2C)C[C@@H]1C ZINC001054468305 710935612 /nfs/dbraw/zinc/93/56/12/710935612.db2.gz AVRVWNXWWWVDNW-WDEREUQCSA-N 1 0 248.330 0.656 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cscn2)C[C@H]1C ZINC001054467683 710935986 /nfs/dbraw/zinc/93/59/86/710935986.db2.gz YOQUJXTYBZRELM-ZJUUUORDSA-N 1 0 249.339 0.826 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C ZINC001054624217 710939073 /nfs/dbraw/zinc/93/90/73/710939073.db2.gz TYQJIAGXUBDESU-WDEREUQCSA-N 1 0 238.331 0.217 20 30 BCEDRO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCF ZINC001054655779 710940423 /nfs/dbraw/zinc/94/04/23/710940423.db2.gz JDCJZSZIPJJENW-CMPLNLGQSA-N 1 0 238.306 0.806 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@H]1C ZINC001054663556 710940448 /nfs/dbraw/zinc/94/04/48/710940448.db2.gz YGDLTCGYIYUOTJ-GHMZBOCLSA-N 1 0 246.314 0.401 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cncn2C)C[C@@H]1C ZINC001054867583 710942290 /nfs/dbraw/zinc/94/22/90/710942290.db2.gz ZJRKKUYKXCKNPM-QWRGUYRKSA-N 1 0 246.314 0.103 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cnco2)C[C@@H]1C ZINC001054946379 710942825 /nfs/dbraw/zinc/94/28/25/710942825.db2.gz MQGGSYSMUPGBTH-UWVGGRQHSA-N 1 0 235.287 0.911 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN1CCC[C@H](C#N)C1 ZINC000383991824 710988069 /nfs/dbraw/zinc/98/80/69/710988069.db2.gz NHRNTRINIVFBQC-OLZOCXBDSA-N 1 0 239.363 0.923 20 30 BCEDRO C#C[C@@](C)(CC)NC[C@@H](O)C[N@@H+](C)CC ZINC000384130150 710989213 /nfs/dbraw/zinc/98/92/13/710989213.db2.gz AIXDSUOYPCTWHX-NEPJUHHUSA-N 1 0 212.337 0.691 20 30 BCEDRO C=CCONC[C@@H](O)C[NH+]1CCCC1 ZINC000387174002 711041557 /nfs/dbraw/zinc/04/15/57/711041557.db2.gz IITBPCCZSCEWGV-SNVBAGLBSA-N 1 0 200.282 0.150 20 30 BCEDRO C=C[C@H](C)NC(=S)NCCC[NH+](C)C ZINC000756794413 711068489 /nfs/dbraw/zinc/06/84/89/711068489.db2.gz CUVLPZVRGBWWQX-VIFPVBQESA-N 1 0 215.366 0.977 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCCOC1)[C@@H]1CCCO1 ZINC000389601824 711082898 /nfs/dbraw/zinc/08/28/98/711082898.db2.gz VCSLZQHCMILSND-WOPDTQHZSA-N 1 0 209.289 0.936 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@@H]1C ZINC000389615786 711083159 /nfs/dbraw/zinc/08/31/59/711083159.db2.gz GLXCGAVTVZCNKV-WDEREUQCSA-N 1 0 208.305 0.904 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCO[C@@H]1C)[C@@H]1CCCO1 ZINC000389730155 711087968 /nfs/dbraw/zinc/08/79/68/711087968.db2.gz SDNHCCGNAYCQHB-KXNHARMFSA-N 1 0 209.289 0.934 20 30 BCEDRO C#CCCC[NH2+][C@@H](CO)C1CCOCC1 ZINC000389938130 711100005 /nfs/dbraw/zinc/10/00/05/711100005.db2.gz NSVVWNHJFGNXSE-LBPRGKRZSA-N 1 0 211.305 0.777 20 30 BCEDRO C#C[C@@H]([NH2+]C1CC(OC)C1)[C@H]1CCCO1 ZINC000389939246 711100140 /nfs/dbraw/zinc/10/01/40/711100140.db2.gz OBQDQTDUSWBYCN-KIDURHIOSA-N 1 0 209.289 0.934 20 30 BCEDRO CC(=[NH+]OCC(N)=O)c1ccc(N)cc1C ZINC000390267774 711111706 /nfs/dbraw/zinc/11/17/06/711111706.db2.gz QMVXADDRCCNTGR-UHFFFAOYSA-N 1 0 221.260 0.803 20 30 BCEDRO CC[N@H+](CCO[C@@H](C)C#N)CCC(=O)OC ZINC000390416446 711114931 /nfs/dbraw/zinc/11/49/31/711114931.db2.gz MGUXKWNQSFPOFS-JTQLQIEISA-N 1 0 228.292 0.800 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000390406975 711115381 /nfs/dbraw/zinc/11/53/81/711115381.db2.gz BXXHETFIKQYCBH-QWRGUYRKSA-N 1 0 246.376 0.127 20 30 BCEDRO C=CC[N@H+]1CC[C@@]2(C1)CN(C(C)=O)C[C@@H](C)O2 ZINC001071107742 711166964 /nfs/dbraw/zinc/16/69/64/711166964.db2.gz KFYCPNJRHDWKGZ-DGCLKSJQSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CC[N@H+]1C[C@@H](NC(=O)C2CC2)CC[C@@H]1C ZINC001071291878 711185937 /nfs/dbraw/zinc/18/59/37/711185937.db2.gz QMNINTBETWAGFZ-JQWIXIFHSA-N 1 0 220.316 0.999 20 30 BCEDRO N#CCCNC(=O)C[NH2+][C@@H](CO)C1CCCC1 ZINC000395273268 711207379 /nfs/dbraw/zinc/20/73/79/711207379.db2.gz BBSZBMQIKYNBIQ-NSHDSACASA-N 1 0 239.319 0.157 20 30 BCEDRO CCNC(NC[C@@](C)(O)CCOC)=[NH+]CC ZINC000395575106 711212786 /nfs/dbraw/zinc/21/27/86/711212786.db2.gz PMHXBVHSMHPOQC-NSHDSACASA-N 1 0 231.340 0.349 20 30 BCEDRO CCNC(NCc1nccn1CC)=[NH+]CC ZINC000395575073 711213228 /nfs/dbraw/zinc/21/32/28/711213228.db2.gz PJYVZBOSDPDFHX-UHFFFAOYSA-N 1 0 223.324 0.978 20 30 BCEDRO CCNC(NC[C@H](COC)OC)=[NH+]CC ZINC000395740155 711215823 /nfs/dbraw/zinc/21/58/23/711215823.db2.gz SIFSJEIQODZZOZ-SECBINFHSA-N 1 0 217.313 0.223 20 30 BCEDRO CCNC(NCCC(C)(C)O)=[NH+]CC ZINC000395831190 711216589 /nfs/dbraw/zinc/21/65/89/711216589.db2.gz XKPQLUHEGOMGCH-UHFFFAOYSA-N 1 0 201.314 0.722 20 30 BCEDRO CCNC(NC[C@@](C)(O)CSC)=[NH+]CC ZINC000395857219 711216920 /nfs/dbraw/zinc/21/69/20/711216920.db2.gz RWWXGKCVZWNXHU-SNVBAGLBSA-N 1 0 233.381 0.675 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H]1COC ZINC000396058109 711220225 /nfs/dbraw/zinc/22/02/25/711220225.db2.gz JAPSBPXHZLSSML-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@H](C)OC)C2)C1 ZINC001072526421 711378990 /nfs/dbraw/zinc/37/89/90/711378990.db2.gz XEKSCEBROUZKAP-NSHDSACASA-N 1 0 236.315 0.189 20 30 BCEDRO C=C(C)C[N@@H+]1CCCO[C@@H](CNC(C)=O)C1 ZINC001073501194 711439600 /nfs/dbraw/zinc/43/96/00/711439600.db2.gz BIQXHEBSVZINFV-LBPRGKRZSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)ncn2)C1 ZINC001010648918 710594272 /nfs/dbraw/zinc/59/42/72/710594272.db2.gz GQSSYPVAUPSUCY-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cc(C)ncn2)C1 ZINC001010648921 710594662 /nfs/dbraw/zinc/59/46/62/710594662.db2.gz GQSSYPVAUPSUCY-NSHDSACASA-N 1 0 246.314 0.775 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2c(C)ncn2C)C1 ZINC001014825857 710613563 /nfs/dbraw/zinc/61/35/63/710613563.db2.gz XSOUAFUQCBTFGQ-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C#CCN1CC[C@@H]1CNC(=O)c1cnc(C)n1C ZINC001038634179 710617061 /nfs/dbraw/zinc/61/70/61/710617061.db2.gz KVOBBFBKSRIQGN-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C#CCCC[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000381288794 710617440 /nfs/dbraw/zinc/61/74/40/710617440.db2.gz CLRDPLAKNGZOGX-LBPRGKRZSA-N 1 0 225.288 0.712 20 30 BCEDRO C#C[C@H](NC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000381466934 710641137 /nfs/dbraw/zinc/64/11/37/710641137.db2.gz MYCYJUSFHJUMFE-STQMWFEESA-N 1 0 222.332 0.851 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnco2)[C@@H](C)C1 ZINC001044696756 710829426 /nfs/dbraw/zinc/82/94/26/710829426.db2.gz IFPGMYAMNPSSIW-QWRGUYRKSA-N 1 0 247.298 0.891 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)[C@@H](C)C1 ZINC001044587325 710829453 /nfs/dbraw/zinc/82/94/53/710829453.db2.gz FLIKXOXAOBAXNA-WDEREUQCSA-N 1 0 246.314 0.626 20 30 BCEDRO CC[NH2+]C[C@@H]1CCCN1C(=O)[C@H](C)C#N ZINC001044961766 710833590 /nfs/dbraw/zinc/83/35/90/710833590.db2.gz TUAAHZJQSZIYQT-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CC[NH+]1CCC(C)(NC(=O)c2ccon2)CC1 ZINC001045372845 710838139 /nfs/dbraw/zinc/83/81/39/710838139.db2.gz PPZZZTFYNWQRKI-UHFFFAOYSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CC[NH+]1CCC(C)(NC(=O)c2ccn[nH]2)CC1 ZINC001045370549 710838486 /nfs/dbraw/zinc/83/84/86/710838486.db2.gz JVPZAKKVIVMFNU-UHFFFAOYSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[NH+]1CCC(C)(NC(=O)c2nnc[nH]2)CC1 ZINC001045592481 710840091 /nfs/dbraw/zinc/84/00/91/710840091.db2.gz XWGMBOKRCOMWDK-UHFFFAOYSA-N 1 0 247.302 0.022 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046161824 710851875 /nfs/dbraw/zinc/85/18/75/710851875.db2.gz BTNFGPHCEJKXEB-GFCCVEGCSA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccn[nH]2)C1 ZINC001046163336 710852493 /nfs/dbraw/zinc/85/24/93/710852493.db2.gz XTLIHYUGPCXLGX-GFCCVEGCSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)c2ccc[nH]2)C1 ZINC001046139073 710852580 /nfs/dbraw/zinc/85/25/80/710852580.db2.gz BMDWSDZWGBXBKS-ZDUSSCGKSA-N 1 0 231.299 0.842 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccc[nH]2)C[C@H]1C ZINC001054377916 710932305 /nfs/dbraw/zinc/93/23/05/710932305.db2.gz QBRGWGVSUPGGHX-PWSUYJOCSA-N 1 0 231.299 0.698 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)no2)C[C@H]1C ZINC001054378632 710932916 /nfs/dbraw/zinc/93/29/16/710932916.db2.gz XQMGVYCYSSFMIF-MWLCHTKSSA-N 1 0 247.298 0.666 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001000291843 710948514 /nfs/dbraw/zinc/94/85/14/710948514.db2.gz VYQUPTKVTHDFKC-GFCCVEGCSA-N 1 0 244.298 0.304 20 30 BCEDRO C=CC[N@H+]1CCC2(CN(C(=O)[C@H](C)OC)C2)C1 ZINC001072526349 711378813 /nfs/dbraw/zinc/37/88/13/711378813.db2.gz VECKGSXKAZUYFS-NSHDSACASA-N 1 0 238.331 0.742 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)OC)C2)C1 ZINC001072526420 711379858 /nfs/dbraw/zinc/37/98/58/711379858.db2.gz XEKSCEBROUZKAP-LLVKDONJSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CCC[N@H+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)C1 ZINC001072553375 711381129 /nfs/dbraw/zinc/38/11/29/711381129.db2.gz YNUOMDTZYZJUIU-LBPRGKRZSA-N 1 0 245.326 0.704 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001072710341 711394027 /nfs/dbraw/zinc/39/40/27/711394027.db2.gz CKFCBVRXSUUZLI-UHFFFAOYSA-N 1 0 244.298 0.191 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCO2)[C@H]1C ZINC001074516429 711443173 /nfs/dbraw/zinc/44/31/73/711443173.db2.gz URGPKTSHVLDHPE-SDDRHHMPSA-N 1 0 236.315 0.378 20 30 BCEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)c2cocn2)C1 ZINC000969402089 711457222 /nfs/dbraw/zinc/45/72/22/711457222.db2.gz MLWRYWXPOIDDQR-JTQLQIEISA-N 1 0 247.298 0.748 20 30 BCEDRO COCCN(C)[NH+]=C(C)c1ccc(N)nc1 ZINC000393454663 711477354 /nfs/dbraw/zinc/47/73/54/711477354.db2.gz BCQZCDDZTNMRFF-UHFFFAOYSA-N 1 0 222.292 0.796 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2nc(C)c[nH]2)C1 ZINC000970560703 711479559 /nfs/dbraw/zinc/47/95/59/711479559.db2.gz PPEISSIMIWXKBG-JTQLQIEISA-N 1 0 248.330 0.954 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@]1(C)CO ZINC000723049269 711497653 /nfs/dbraw/zinc/49/76/53/711497653.db2.gz SUHFGUUGVKVBAT-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO CN(C)c1ccc(C=[NH+]NCCO)cc1 ZINC000714551432 711508481 /nfs/dbraw/zinc/50/84/81/711508481.db2.gz FHYIJTCPOUCBTB-UHFFFAOYSA-N 1 0 207.277 0.668 20 30 BCEDRO CC#CC[NH2+][C@@H]1C(=O)NCC1(CC)CC ZINC000933286816 711510953 /nfs/dbraw/zinc/51/09/53/711510953.db2.gz FBSLJPUIAKMBCK-SNVBAGLBSA-N 1 0 208.305 0.904 20 30 BCEDRO Cc1nc(C#N)cc(NC[C@](C)(O)C[NH+](C)C)n1 ZINC000308328794 711522128 /nfs/dbraw/zinc/52/21/28/711522128.db2.gz JBEBFKPSOXJNNK-LBPRGKRZSA-N 1 0 249.318 0.381 20 30 BCEDRO C#CCCC[N@@H+](C)CC(=O)N1CCCC1 ZINC000161073509 711541262 /nfs/dbraw/zinc/54/12/62/711541262.db2.gz BAUBZPQLXUDTOS-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCCO1 ZINC001038041390 711566042 /nfs/dbraw/zinc/56/60/42/711566042.db2.gz RZLFHFUPAYFZOW-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ncccn2)C1 ZINC001022875842 711600695 /nfs/dbraw/zinc/60/06/95/711600695.db2.gz LXAKKAVMZRHVOP-AOOOYVTPSA-N 1 0 232.287 0.513 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1ccn(C)n1 ZINC000382222775 711615444 /nfs/dbraw/zinc/61/54/44/711615444.db2.gz NNBBMHJZYLZGLI-UHFFFAOYSA-N 1 0 220.320 0.465 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cc(C)nn1C ZINC000717732096 711615967 /nfs/dbraw/zinc/61/59/67/711615967.db2.gz GNFGDPFNZOLKPM-LLVKDONJSA-N 1 0 221.304 0.592 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccnc(C)n2)C1 ZINC001023103293 711616120 /nfs/dbraw/zinc/61/61/20/711616120.db2.gz WFNDZFUPBNUDPM-PHIMTYICSA-N 1 0 244.298 0.269 20 30 BCEDRO C[C@]1(C(N)=O)CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721536547 711619029 /nfs/dbraw/zinc/61/90/29/711619029.db2.gz VXHDMESZAKGTKZ-ZDUSSCGKSA-N 1 0 244.298 0.651 20 30 BCEDRO C#CC1(O)CC[NH+](CCO[C@H]2CCOC2)CC1 ZINC000724997887 711641750 /nfs/dbraw/zinc/64/17/50/711641750.db2.gz KUULJZABFATOJZ-LBPRGKRZSA-N 1 0 239.315 0.252 20 30 BCEDRO COC[C@@](C)(CO)[NH2+]Cc1cncc(C#N)c1 ZINC000721588298 711654249 /nfs/dbraw/zinc/65/42/49/711654249.db2.gz YKJRSHFDLFYUND-GFCCVEGCSA-N 1 0 235.287 0.440 20 30 BCEDRO CC[C@H](CO)[NH2+]Cc1cncc(C#N)c1 ZINC000721615637 711671135 /nfs/dbraw/zinc/67/11/35/711671135.db2.gz SMXILLJEIPBMJL-LLVKDONJSA-N 1 0 205.261 0.814 20 30 BCEDRO CC[C@@H](CO)[NH2+]Cc1cncc(C#N)c1 ZINC000721615640 711671228 /nfs/dbraw/zinc/67/12/28/711671228.db2.gz SMXILLJEIPBMJL-NSHDSACASA-N 1 0 205.261 0.814 20 30 BCEDRO CNC(=O)[C@@H]1CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721626854 711671372 /nfs/dbraw/zinc/67/13/72/711671372.db2.gz ZBTFXFPNPOTIBH-GFCCVEGCSA-N 1 0 244.298 0.521 20 30 BCEDRO CCC[C@@H](CCO)CNC(NC)=[NH+]C ZINC000395197798 711693193 /nfs/dbraw/zinc/69/31/93/711693193.db2.gz QOIHKKWCFMQMGJ-VIFPVBQESA-N 1 0 201.314 0.580 20 30 BCEDRO C[C@H]([NH3+])[C@H]1CCCCN1C(=O)NCCC#N ZINC000334954366 711719354 /nfs/dbraw/zinc/71/93/54/711719354.db2.gz WOJXVVRRELSYQV-VHSXEESVSA-N 1 0 224.308 0.811 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)COC)C1 ZINC001027258170 711722858 /nfs/dbraw/zinc/72/28/58/711722858.db2.gz JRJIRTMPPJSKKT-LLVKDONJSA-N 1 0 224.304 0.189 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnnn1C ZINC001027855681 711739506 /nfs/dbraw/zinc/73/95/06/711739506.db2.gz USDIHYKITSZQSN-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CCN1CCC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001027868694 711739901 /nfs/dbraw/zinc/73/99/01/711739901.db2.gz RUVBNCPSTOVAEP-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1ncccn1 ZINC001038833354 711748008 /nfs/dbraw/zinc/74/80/08/711748008.db2.gz NNGDQJDONIUIRY-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO CNC(=[NH2+])NC[C@@H]1CCCO[C@H]1C(C)C ZINC000178561236 711759122 /nfs/dbraw/zinc/75/91/22/711759122.db2.gz ZADXLKFPUGBDDH-UWVGGRQHSA-N 1 0 213.325 0.972 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2conc2C)C1 ZINC001028775494 711767639 /nfs/dbraw/zinc/76/76/39/711767639.db2.gz PTPZQAZDLHOHPP-LLVKDONJSA-N 1 0 247.298 0.668 20 30 BCEDRO COC(=O)c1cnc(NCC#CC[NH+](C)C)nc1 ZINC000894875855 711774104 /nfs/dbraw/zinc/77/41/04/711774104.db2.gz IJLSPVQBGBHADE-UHFFFAOYSA-N 1 0 248.286 0.240 20 30 BCEDRO COC[C@@H](C)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000895065273 711775408 /nfs/dbraw/zinc/77/54/08/711775408.db2.gz ACACFDIRQVEOFW-NSHDSACASA-N 1 0 239.319 0.327 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cncn2C)[C@@H]1C ZINC000986495048 711788459 /nfs/dbraw/zinc/78/84/59/711788459.db2.gz JXAUYSBSGNHAKW-MNOVXSKESA-N 1 0 248.330 0.799 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872214509 711789444 /nfs/dbraw/zinc/78/94/44/711789444.db2.gz YZBDVMWOONFVRA-WDEREUQCSA-N 1 0 231.336 0.425 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnnn2C)C1 ZINC000988768251 711796803 /nfs/dbraw/zinc/79/68/03/711796803.db2.gz XBCQMZPRAMHGKA-ZJUUUORDSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cnon3)[C@@H]2C1 ZINC001076379411 711805010 /nfs/dbraw/zinc/80/50/10/711805010.db2.gz JQRRFDHXXPYUJD-GXSJLCMTSA-N 1 0 248.286 0.402 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)CC)C1 ZINC001076653974 711806469 /nfs/dbraw/zinc/80/64/69/711806469.db2.gz GHKHUULHDHTHKK-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccncc1 ZINC000913514252 711823279 /nfs/dbraw/zinc/82/32/79/711823279.db2.gz JSWGISQDNWKNMR-UHFFFAOYSA-N 1 0 217.272 0.376 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1CCOCC1 ZINC000913515130 711823314 /nfs/dbraw/zinc/82/33/14/711823314.db2.gz KHGCBMURGZOJBR-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO CCC(C)(C)[C@@H](O)C(=O)NCC#CC[NH+](C)C ZINC000913524354 711823582 /nfs/dbraw/zinc/82/35/82/711823582.db2.gz JUQHGKPPRRSXFD-NSHDSACASA-N 1 0 240.347 0.465 20 30 BCEDRO C[C@@H](C(=O)NCC#CC[NH+](C)C)c1cnccn1 ZINC000913524625 711823605 /nfs/dbraw/zinc/82/36/05/711823605.db2.gz VUFSAXQZHUIXCB-LLVKDONJSA-N 1 0 246.314 0.261 20 30 BCEDRO CSCC(=O)NCC#CC[NH+](C)C ZINC000913515515 711823610 /nfs/dbraw/zinc/82/36/10/711823610.db2.gz ZUKBQJXKNSKVDI-UHFFFAOYSA-N 1 0 200.307 0.031 20 30 BCEDRO CC(C)n1cc(C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913521166 711823962 /nfs/dbraw/zinc/82/39/62/711823962.db2.gz NEELTDPHVWPTOE-UHFFFAOYSA-N 1 0 248.330 0.759 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001038099318 711824926 /nfs/dbraw/zinc/82/49/26/711824926.db2.gz WNFKTESXFFUCJQ-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000167950192 711831130 /nfs/dbraw/zinc/83/11/30/711831130.db2.gz PRUWBTCLFVKEKS-YUMQZZPRSA-N 1 0 202.685 0.853 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@H](C)C1(C)CC1 ZINC000385301440 711831433 /nfs/dbraw/zinc/83/14/33/711831433.db2.gz MQELTWCKLUHJMA-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1c[nH]nc1C ZINC001038581744 711876535 /nfs/dbraw/zinc/87/65/35/711876535.db2.gz UISHRPBGLXFHPP-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cn(CC)cn2)C1 ZINC001032131893 711904365 /nfs/dbraw/zinc/90/43/65/711904365.db2.gz DWLRPZRDWKWDMO-UHFFFAOYSA-N 1 0 248.330 0.751 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C#CC2CC2)CC1(C)C ZINC000995774281 711910869 /nfs/dbraw/zinc/91/08/69/711910869.db2.gz FVSRGVOFVGQIAK-ZDUSSCGKSA-N 1 0 244.338 0.860 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1cnn(C)n1 ZINC000382424844 711940119 /nfs/dbraw/zinc/94/01/19/711940119.db2.gz XVUFDIQELAEILC-VIFPVBQESA-N 1 0 210.281 0.089 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001032905749 711966805 /nfs/dbraw/zinc/96/68/05/711966805.db2.gz OGRSJFDPAPHCIO-GFCCVEGCSA-N 1 0 246.314 0.049 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001032926672 711968866 /nfs/dbraw/zinc/96/88/66/711968866.db2.gz VCDHISZQNRUBRM-NSHDSACASA-N 1 0 234.303 0.742 20 30 BCEDRO C#CCN1CC[C@H](N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001032945234 711969201 /nfs/dbraw/zinc/96/92/01/711969201.db2.gz OTRWRORIHXWSRQ-STQMWFEESA-N 1 0 249.358 0.247 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2CCOC2)C1 ZINC001032944259 711969229 /nfs/dbraw/zinc/96/92/29/711969229.db2.gz WOUCXJJZPJRIBS-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)Cc2cc[nH]n2)C1 ZINC001032983151 711970125 /nfs/dbraw/zinc/97/01/25/711970125.db2.gz XBJBPNDQDKLWQQ-LBPRGKRZSA-N 1 0 248.330 0.671 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)C2=CCOCC2)C1 ZINC001033035385 711971649 /nfs/dbraw/zinc/97/16/49/711971649.db2.gz FOESGUSUQFPFPR-ZDUSSCGKSA-N 1 0 248.326 0.499 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC)[C@H](C)C1 ZINC001044391373 711971919 /nfs/dbraw/zinc/97/19/19/711971919.db2.gz TXLJEVRVXCRVJE-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCOC1 ZINC001038093592 711978678 /nfs/dbraw/zinc/97/86/78/711978678.db2.gz ADHVUHAJUAVQFD-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2cnco2)C1 ZINC001033310290 711981969 /nfs/dbraw/zinc/98/19/69/711981969.db2.gz UYODDGULOVKKJE-NSHDSACASA-N 1 0 247.298 0.844 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033516087 711999149 /nfs/dbraw/zinc/99/91/49/711999149.db2.gz PYQJAOTUQIKRBW-JTQLQIEISA-N 1 0 249.318 0.527 20 30 BCEDRO C#CCN1CC[C@H](N(C)C(=O)c2nccs2)C1 ZINC001033523144 712001376 /nfs/dbraw/zinc/00/13/76/712001376.db2.gz XCJLMBAUPREBTE-JTQLQIEISA-N 1 0 249.339 0.923 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccn(C)n2)C1 ZINC001033655480 712010547 /nfs/dbraw/zinc/01/05/47/712010547.db2.gz HYPVOINGXWSFDG-NSHDSACASA-N 1 0 248.330 0.752 20 30 BCEDRO CN(CC[N@H+](C)CCO)c1ccnc(C#N)c1 ZINC000701145100 712017288 /nfs/dbraw/zinc/01/72/88/712017288.db2.gz MFPAHMDFUZNROJ-UHFFFAOYSA-N 1 0 234.303 0.314 20 30 BCEDRO C=C(Cl)CNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000701613499 712025600 /nfs/dbraw/zinc/02/56/00/712025600.db2.gz KKBOKEKNYUNJGQ-WPRPVWTQSA-N 1 0 232.711 0.622 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(CC)C(=O)c2nc[nH]n2)C1 ZINC001033993145 712031911 /nfs/dbraw/zinc/03/19/11/712031911.db2.gz PNDDIVKLWPGHRW-SNVBAGLBSA-N 1 0 249.318 0.527 20 30 BCEDRO C=CCCSCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000702403365 712051043 /nfs/dbraw/zinc/05/10/43/712051043.db2.gz VXJYUTSLKRUVJV-JTQLQIEISA-N 1 0 245.392 0.301 20 30 BCEDRO C[N@@H+]1C[C@@H]2CN(c3cncc(C#N)n3)C[C@]2(C)C1 ZINC000702465562 712053606 /nfs/dbraw/zinc/05/36/06/712053606.db2.gz WBZXRWALPFSIFM-MFKMUULPSA-N 1 0 243.314 0.736 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@H]2CNOC2)c1 ZINC000703388138 712075050 /nfs/dbraw/zinc/07/50/50/712075050.db2.gz BPAFFTPFUYHVCD-LLVKDONJSA-N 1 0 203.245 0.551 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C1CC(OC)C1 ZINC000703418836 712076685 /nfs/dbraw/zinc/07/66/85/712076685.db2.gz BEOYSYWDFGYWSA-UHFFFAOYSA-N 1 0 238.331 0.483 20 30 BCEDRO N#Cc1ccc(CC(=O)NCC[NH2+]C2CC2)cc1 ZINC000704665102 712112657 /nfs/dbraw/zinc/11/26/57/712112657.db2.gz JJCYQOCPGUSFOH-UHFFFAOYSA-N 1 0 243.310 0.969 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1C(=O)Cc1ccc(C#N)cc1 ZINC000704665065 712112798 /nfs/dbraw/zinc/11/27/98/712112798.db2.gz IUXMUUUNBBFTSA-LLVKDONJSA-N 1 0 243.310 0.921 20 30 BCEDRO C[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(C#N)cc1 ZINC000704665068 712112902 /nfs/dbraw/zinc/11/29/02/712112902.db2.gz IUXMUUUNBBFTSA-NSHDSACASA-N 1 0 243.310 0.921 20 30 BCEDRO N#Cc1ccc(CC(=O)N2CC[C@H](C[NH3+])C2)cc1 ZINC000704665480 712113868 /nfs/dbraw/zinc/11/38/68/712113868.db2.gz NHIYWBYWAOGPSD-CYBMUJFWSA-N 1 0 243.310 0.908 20 30 BCEDRO N#Cc1ccc(CC(=O)NCCC[NH3+])cc1 ZINC000704666721 712114078 /nfs/dbraw/zinc/11/40/78/712114078.db2.gz YZSUVSFPJRPFSA-UHFFFAOYSA-N 1 0 217.272 0.566 20 30 BCEDRO N#Cc1ccc(CC(=O)NC[C@H]2CCC[NH2+]2)cc1 ZINC000704666582 712114269 /nfs/dbraw/zinc/11/42/69/712114269.db2.gz YDQQBSYINWCWES-CYBMUJFWSA-N 1 0 243.310 0.969 20 30 BCEDRO C[C@H]1CN(C(=O)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC000704665697 712114313 /nfs/dbraw/zinc/11/43/13/712114313.db2.gz ODVVHIILXXIEAR-NSHDSACASA-N 1 0 243.310 0.921 20 30 BCEDRO CCNC(NC[C@@](C)(O)C(F)(F)F)=[NH+]CC ZINC000705179348 712125671 /nfs/dbraw/zinc/12/56/71/712125671.db2.gz CNACSABQEOHJIL-MRVPVSSYSA-N 1 0 241.257 0.875 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1CCC(C)(O)CC1 ZINC000705529987 712133050 /nfs/dbraw/zinc/13/30/50/712133050.db2.gz IBYNJXIOCJUAFN-UHFFFAOYSA-N 1 0 226.320 0.572 20 30 BCEDRO C=CC[NH+]1CC2(C1)CCN(C(=O)COC)CC2 ZINC001035624748 712137654 /nfs/dbraw/zinc/13/76/54/712137654.db2.gz GDKNUGBVKFSNFF-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)COC)C[C@@H]1C ZINC001035871037 712147927 /nfs/dbraw/zinc/14/79/27/712147927.db2.gz UWUQYKORGQBEQE-WDEREUQCSA-N 1 0 226.320 0.645 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CSC)C[C@@H]1C ZINC001035904567 712148665 /nfs/dbraw/zinc/14/86/65/712148665.db2.gz BPYMZNJEMQUQCI-WDEREUQCSA-N 1 0 240.372 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@@H]1C ZINC001035931622 712150683 /nfs/dbraw/zinc/15/06/83/712150683.db2.gz ANCOQHRMVNMVIN-CMPLNLGQSA-N 1 0 246.314 0.483 20 30 BCEDRO C=CC1CCN(C(=O)[C@@H]([NH3+])CCOC)CC1 ZINC000706668604 712151177 /nfs/dbraw/zinc/15/11/77/712151177.db2.gz YNWYTEFYDXLTPG-NSHDSACASA-N 1 0 226.320 0.775 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cocn2)C[C@H]1C ZINC001035958265 712152015 /nfs/dbraw/zinc/15/20/15/712152015.db2.gz ASIIVQYOTYIJEP-GHMZBOCLSA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1C ZINC001036025614 712152651 /nfs/dbraw/zinc/15/26/51/712152651.db2.gz MNNVSWXEKGXZIZ-GHMZBOCLSA-N 1 0 246.314 0.483 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001036086522 712155825 /nfs/dbraw/zinc/15/58/25/712155825.db2.gz APLQPVHPNSVJLX-VHSXEESVSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnco2)C[C@@H]1C ZINC001036136866 712159468 /nfs/dbraw/zinc/15/94/68/712159468.db2.gz SXJGCTPZYVDXNZ-WDEREUQCSA-N 1 0 247.298 0.748 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+][C@H]2C[C@@H](CO)C2)cc1 ZINC000707595662 712175331 /nfs/dbraw/zinc/17/53/31/712175331.db2.gz OYZNZJYZGVFWMX-KWCYVHTRSA-N 1 0 246.310 0.952 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H](O)C(F)(F)F)CC1 ZINC000708121563 712182597 /nfs/dbraw/zinc/18/25/97/712182597.db2.gz FJIWXRXQJGDLBK-QMMMGPOBSA-N 1 0 237.221 0.370 20 30 BCEDRO C#CC1(O)CC[NH+](CCc2ccnn2C)CC1 ZINC000708134398 712182701 /nfs/dbraw/zinc/18/27/01/712182701.db2.gz PDNABHFRSGTOQZ-UHFFFAOYSA-N 1 0 233.315 0.423 20 30 BCEDRO C#CCOCC[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000708318557 712186403 /nfs/dbraw/zinc/18/64/03/712186403.db2.gz NMQQSMCSCBPQLH-SNVBAGLBSA-N 1 0 213.277 0.377 20 30 BCEDRO C#CCCC[N@@H+](C)[C@@H](C)CS(C)(=O)=O ZINC000708468469 712195675 /nfs/dbraw/zinc/19/56/75/712195675.db2.gz FIOPMLBIGGKNKY-JTQLQIEISA-N 1 0 217.334 0.765 20 30 BCEDRO C#CCCN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000708828284 712200076 /nfs/dbraw/zinc/20/00/76/712200076.db2.gz PLBIRTDZTWMBRR-MNOVXSKESA-N 1 0 227.329 0.661 20 30 BCEDRO N#CCCNC(=O)[C@@]12CC[N@H+](C1)CCC2 ZINC000709264045 712219030 /nfs/dbraw/zinc/21/90/30/712219030.db2.gz FNGSCMLGTRPPNK-NSHDSACASA-N 1 0 207.277 0.502 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@](C)(O)C(=O)OC)C1 ZINC000709532637 712223806 /nfs/dbraw/zinc/22/38/06/712223806.db2.gz BOQLDPHSLAEENK-JQWIXIFHSA-N 1 0 225.288 0.256 20 30 BCEDRO C=C(Cl)Cn1cc(CCC[NH3+])nn1 ZINC000710683008 712254272 /nfs/dbraw/zinc/25/42/72/712254272.db2.gz OMHFNTFHMRKDKF-UHFFFAOYSA-N 1 0 200.673 0.922 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@]1(COC)C[NH2+]CCO1 ZINC000710847862 712258913 /nfs/dbraw/zinc/25/89/13/712258913.db2.gz AJUQLGWOKSSHRS-ZYHUDNBSSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000710883223 712261193 /nfs/dbraw/zinc/26/11/93/712261193.db2.gz RBJONPQTHXWAEM-GHMZBOCLSA-N 1 0 244.360 0.767 20 30 BCEDRO C[NH+](C)CC1(O)CCN(CCC#N)CC1 ZINC000710641812 712264964 /nfs/dbraw/zinc/26/49/64/712264964.db2.gz MFBINLITGDSRHY-UHFFFAOYSA-N 1 0 211.309 0.289 20 30 BCEDRO C#CCCS(=O)(=O)NC[C@H]1CCC[N@H+]1CC ZINC000711065845 712278036 /nfs/dbraw/zinc/27/80/36/712278036.db2.gz XKAAGDWJOPVIJA-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CCCS(=O)(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000711065484 712278162 /nfs/dbraw/zinc/27/81/62/712278162.db2.gz PUJQOBXRCVWAIV-WDEREUQCSA-N 1 0 244.360 0.364 20 30 BCEDRO C#CCCS(=O)(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000711174941 712288265 /nfs/dbraw/zinc/28/82/65/712288265.db2.gz OSSHYLRFYFKSGG-LLVKDONJSA-N 1 0 246.376 0.658 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001079470365 712348681 /nfs/dbraw/zinc/34/86/81/712348681.db2.gz MUMYLUPTDRAQJM-IJLUTSLNSA-N 1 0 238.331 0.645 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C)n[nH]2)C1 ZINC001079460996 712348846 /nfs/dbraw/zinc/34/88/46/712348846.db2.gz NMKABSGPPWYYIW-BXKDBHETSA-N 1 0 248.330 0.954 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001079438716 712349071 /nfs/dbraw/zinc/34/90/71/712349071.db2.gz GAXYKLFVNZSUKS-ZYHUDNBSSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C(C)C)C1 ZINC001079433093 712349281 /nfs/dbraw/zinc/34/92/81/712349281.db2.gz IRYZBIUYOFSHOY-GHMZBOCLSA-N 1 0 208.305 0.712 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001079671777 712349585 /nfs/dbraw/zinc/34/95/85/712349585.db2.gz DIBAHCGLZLQYEH-GHMZBOCLSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccoc2)C1 ZINC001079613259 712350135 /nfs/dbraw/zinc/35/01/35/712350135.db2.gz KXJDPFHPEKHVST-DGCLKSJQSA-N 1 0 246.310 0.892 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCOC1(C)C ZINC000378860076 712363596 /nfs/dbraw/zinc/36/35/96/712363596.db2.gz OEEOKKDWRCHFMN-JTQLQIEISA-N 1 0 247.360 0.744 20 30 BCEDRO CCC[C@@]1([NH2+]CC(=O)NCCC#N)CCOC1 ZINC000378854901 712366849 /nfs/dbraw/zinc/36/68/49/712366849.db2.gz XPPKMHJWTZPJLV-GFCCVEGCSA-N 1 0 239.319 0.565 20 30 BCEDRO CS(=O)(=O)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000379577363 712388550 /nfs/dbraw/zinc/38/85/50/712388550.db2.gz QLIVDKKUQTWNKM-IUCAKERBSA-N 1 0 216.306 0.313 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CC[C@H]1C ZINC000379648041 712391357 /nfs/dbraw/zinc/39/13/57/712391357.db2.gz BIRYVOCIIQNGAJ-ZJUUUORDSA-N 1 0 217.334 0.975 20 30 BCEDRO CC(CN1Cc2ccccc2C1)N=NC(N)=[NH2+] ZINC000792631386 712423034 /nfs/dbraw/zinc/42/30/34/712423034.db2.gz SIPLCZIHMOWFNB-UHFFFAOYSA-N 1 0 231.303 0.861 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNc1cncc(C#N)n1 ZINC000712592522 712435372 /nfs/dbraw/zinc/43/53/72/712435372.db2.gz STJPORMNXIMXCP-VIFPVBQESA-N 1 0 203.249 0.464 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNc1ccc(C#N)nn1 ZINC000712591758 712435470 /nfs/dbraw/zinc/43/54/70/712435470.db2.gz MHTUFGPQLKITQP-SNVBAGLBSA-N 1 0 217.276 0.854 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNc1cnc(C#N)cn1 ZINC000712569113 712447074 /nfs/dbraw/zinc/44/70/74/712447074.db2.gz IVCVEILMQMOFCW-JTQLQIEISA-N 1 0 217.276 0.854 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000715827419 712534069 /nfs/dbraw/zinc/53/40/69/712534069.db2.gz VXEAQWUGVNPABG-JTQLQIEISA-N 1 0 221.304 0.747 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000715865967 712537824 /nfs/dbraw/zinc/53/78/24/712537824.db2.gz RJVAHCMJTNAYFH-SNVBAGLBSA-N 1 0 224.304 0.135 20 30 BCEDRO C=CCOCCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716116204 712550450 /nfs/dbraw/zinc/55/04/50/712550450.db2.gz XDXAJBYNGPWYSU-UHFFFAOYSA-N 1 0 247.360 0.744 20 30 BCEDRO C#C[C@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716122224 712550528 /nfs/dbraw/zinc/55/05/28/712550528.db2.gz UZTANRYDEZAYEI-UEJVZZJDSA-N 1 0 201.291 0.173 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cc(C)nn1C ZINC000716355028 712556231 /nfs/dbraw/zinc/55/62/31/712556231.db2.gz UHFDQAXONUXTBO-NSHDSACASA-N 1 0 221.304 0.856 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000716356763 712556308 /nfs/dbraw/zinc/55/63/08/712556308.db2.gz RAZHNMXRSQVZPR-DTWKUNHWSA-N 1 0 239.237 0.928 20 30 BCEDRO C=C(Cl)Cn1cc(C[C@H]([NH3+])COC)nn1 ZINC000716373640 712557305 /nfs/dbraw/zinc/55/73/05/712557305.db2.gz DVENKUMDMZGIPO-QMMMGPOBSA-N 1 0 230.699 0.547 20 30 BCEDRO N#CCOc1ccc(C[NH2+]CCC(N)=O)cc1 ZINC000037261979 712560741 /nfs/dbraw/zinc/56/07/41/712560741.db2.gz HRKIWFRVRQLKJH-UHFFFAOYSA-N 1 0 233.271 0.554 20 30 BCEDRO CCNC(NCC[C@@H](O)C(F)F)=[NH+]CC ZINC000716763708 712572770 /nfs/dbraw/zinc/57/27/70/712572770.db2.gz HLQQMRMRRKHAKB-SSDOTTSWSA-N 1 0 223.267 0.578 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1ccnc(OC)n1 ZINC000716817826 712576525 /nfs/dbraw/zinc/57/65/25/712576525.db2.gz HBTYTDMDZWKUKQ-LLVKDONJSA-N 1 0 235.287 0.613 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000716935726 712597512 /nfs/dbraw/zinc/59/75/12/712597512.db2.gz QBDOPFKHWXIBRH-QWRGUYRKSA-N 1 0 245.344 0.192 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000716935721 712597515 /nfs/dbraw/zinc/59/75/15/712597515.db2.gz QBDOPFKHWXIBRH-GHMZBOCLSA-N 1 0 245.344 0.192 20 30 BCEDRO C#CCC[N@@H+](CCOC)CC[C@@H]1CCOC1=O ZINC000852752074 712612947 /nfs/dbraw/zinc/61/29/47/712612947.db2.gz OPCQUOXOTYEGRL-GFCCVEGCSA-N 1 0 239.315 0.911 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@@H+](C)C(C)C)CC1 ZINC000112919972 712614537 /nfs/dbraw/zinc/61/45/37/712614537.db2.gz HAWZCWVYAWMOHB-UHFFFAOYSA-N 1 0 237.347 0.104 20 30 BCEDRO C#CC1(F)CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000881940968 712634937 /nfs/dbraw/zinc/63/49/37/712634937.db2.gz TVCSECKWJRKGQS-NSHDSACASA-N 1 0 236.290 0.797 20 30 BCEDRO C[C@H](O)[C@H](O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000717378101 712652756 /nfs/dbraw/zinc/65/27/56/712652756.db2.gz XFGAMZSQTKDRFA-OUJBWJOFSA-N 1 0 234.299 0.951 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCN2CCNC2=O)C1 ZINC000886744978 712657300 /nfs/dbraw/zinc/65/73/00/712657300.db2.gz LESQVOWLMYGJNB-WDEREUQCSA-N 1 0 236.319 0.684 20 30 BCEDRO C[NH+](C)CC#CCNc1nccn2cnnc12 ZINC000717596679 712661166 /nfs/dbraw/zinc/66/11/66/712661166.db2.gz YEPHZMITDGPYRO-UHFFFAOYSA-N 1 0 230.275 0.101 20 30 BCEDRO Cn1cnc([N+](=O)[O-])c1NCC#CC[NH+](C)C ZINC000717605322 712662219 /nfs/dbraw/zinc/66/22/19/712662219.db2.gz DTVCGMALVCVPSF-UHFFFAOYSA-N 1 0 237.263 0.305 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccnc(F)c1 ZINC000717679526 712664315 /nfs/dbraw/zinc/66/43/15/712664315.db2.gz KXQBEXDGEZXDHI-UHFFFAOYSA-N 1 0 235.262 0.516 20 30 BCEDRO Cc1cc(C(=O)NCC#CC[NH+](C)C)ccc1O ZINC000717679988 712664335 /nfs/dbraw/zinc/66/43/35/712664335.db2.gz RJKRJZZXMUVVGZ-UHFFFAOYSA-N 1 0 246.310 0.995 20 30 BCEDRO C#CC[N@H+](C)CCCNS(=O)(=O)C1CCC1 ZINC000717683451 712664776 /nfs/dbraw/zinc/66/47/76/712664776.db2.gz YMZNOBWJRUJWMK-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000717704580 712665581 /nfs/dbraw/zinc/66/55/81/712665581.db2.gz AKYDDNRTCVDUIG-LLVKDONJSA-N 1 0 240.347 0.655 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(OC)ns1 ZINC000717711218 712666424 /nfs/dbraw/zinc/66/64/24/712666424.db2.gz VNTHSKKPHDXDTQ-QMMMGPOBSA-N 1 0 226.301 0.626 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@](C)(O)C(F)(F)F ZINC000717734153 712667921 /nfs/dbraw/zinc/66/79/21/712667921.db2.gz UUDDVSCZNFXWOQ-YUMQZZPRSA-N 1 0 225.210 0.274 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000717730073 712668194 /nfs/dbraw/zinc/66/81/94/712668194.db2.gz YPNDPLSMIGYRQF-MNOVXSKESA-N 1 0 227.304 0.502 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@H]1COCC1(C)C ZINC000717731377 712668215 /nfs/dbraw/zinc/66/82/15/712668215.db2.gz BJKVQUJXLHIQQN-QWRGUYRKSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc2c1OCO2 ZINC000717741788 712668432 /nfs/dbraw/zinc/66/84/32/712668432.db2.gz YRZLZONAZQXIHO-NSHDSACASA-N 1 0 233.267 0.889 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(C(N)=O)cc1 ZINC000717740637 712668523 /nfs/dbraw/zinc/66/85/23/712668523.db2.gz QJQQBPLMSDYZGB-LBPRGKRZSA-N 1 0 232.283 0.259 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000717741794 712668545 /nfs/dbraw/zinc/66/85/45/712668545.db2.gz ZEIWIVLEMGWXJC-MNOVXSKESA-N 1 0 224.304 0.019 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnn(CC(F)F)c1 ZINC000717763252 712674122 /nfs/dbraw/zinc/67/41/22/712674122.db2.gz FTDYXAJWSNMOTO-JTQLQIEISA-N 1 0 243.257 0.622 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)c1ccccc1F ZINC000717785002 712676123 /nfs/dbraw/zinc/67/61/23/712676123.db2.gz AKDDCAWZKUETOT-GWCFXTLKSA-N 1 0 237.274 0.833 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c(C)nn(C)c1Cl ZINC000717785964 712676918 /nfs/dbraw/zinc/67/69/18/712676918.db2.gz HDGBQKQMOVMDQX-VIFPVBQESA-N 1 0 241.722 0.856 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cncnc1 ZINC000717785747 712676993 /nfs/dbraw/zinc/67/69/93/712676993.db2.gz FEIVLEZCMFXZQZ-NSHDSACASA-N 1 0 205.261 0.341 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]C[C@]1(OC)CCOC1 ZINC000717785899 712677011 /nfs/dbraw/zinc/67/70/11/712677011.db2.gz GNJPQFBMDAXURE-NWDGAFQWSA-N 1 0 227.304 0.156 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C1CCN(C)CC1 ZINC000717794627 712678089 /nfs/dbraw/zinc/67/80/89/712678089.db2.gz OTBFXVBTEBRBMF-GFCCVEGCSA-N 1 0 210.321 0.445 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000717795470 712678329 /nfs/dbraw/zinc/67/83/29/712678329.db2.gz STLJHANFMCRTSY-GRYCIOLGSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCN(C)[C@@H](C)C1 ZINC000717795726 712678343 /nfs/dbraw/zinc/67/83/43/712678343.db2.gz UUALOVDAGIRADL-QJPTWQEYSA-N 1 0 210.321 0.443 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@@H](C)c1cnccn1 ZINC000717813193 712681004 /nfs/dbraw/zinc/68/10/04/712681004.db2.gz HNZMVOPGQGVLDQ-QWRGUYRKSA-N 1 0 219.288 0.902 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnn(CCC)c1 ZINC000717822186 712681506 /nfs/dbraw/zinc/68/15/06/712681506.db2.gz HEIDXGPXHBHFNT-GFCCVEGCSA-N 1 0 221.304 0.767 20 30 BCEDRO CCNC(NCC1([S@](C)=O)CC1)=[NH+]CC ZINC000380114489 712687571 /nfs/dbraw/zinc/68/75/71/712687571.db2.gz KFKFTGGIHIFZCN-HNNXBMFYSA-N 1 0 231.365 0.473 20 30 BCEDRO C#CCOCC[NH2+][C@@H](C)Cn1cccn1 ZINC000380141578 712699236 /nfs/dbraw/zinc/69/92/36/712699236.db2.gz VSVOHFUHJHJIOJ-NSHDSACASA-N 1 0 207.277 0.511 20 30 BCEDRO C#CC1(O)CC[NH+](CCC2OCCCO2)CC1 ZINC000931144327 712713619 /nfs/dbraw/zinc/71/36/19/712713619.db2.gz WCGSPZLGNVPVMP-UHFFFAOYSA-N 1 0 239.315 0.600 20 30 BCEDRO N#C[C@@H]1CCC[N@@H+](C[C@H]2CNC(=O)C2)C1 ZINC000932154973 712716479 /nfs/dbraw/zinc/71/64/79/712716479.db2.gz UGOINCMNVVMPHD-VHSXEESVSA-N 1 0 207.277 0.358 20 30 BCEDRO COCCNC(=[NH2+])NCc1nccs1 ZINC000195522583 712730543 /nfs/dbraw/zinc/73/05/43/712730543.db2.gz BJGXEJULKZBUFU-UHFFFAOYSA-N 1 0 214.294 0.194 20 30 BCEDRO CCNC(NCC1CCOCC1)=[NH+]CC ZINC000195522971 712730715 /nfs/dbraw/zinc/73/07/15/712730715.db2.gz APCBPBZNASVARM-UHFFFAOYSA-N 1 0 213.325 0.988 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)C(F)(F)F ZINC000717894832 712731906 /nfs/dbraw/zinc/73/19/06/712731906.db2.gz GIFHGERVHONCGN-JGVFFNPUSA-N 1 0 225.210 0.274 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC000717894836 712731913 /nfs/dbraw/zinc/73/19/13/712731913.db2.gz GIFHGERVHONCGN-SFYZADRCSA-N 1 0 225.210 0.274 20 30 BCEDRO COC(=O)c1cc(NCC#CC[NH+](C)C)ncn1 ZINC000717958890 712735470 /nfs/dbraw/zinc/73/54/70/712735470.db2.gz NFENNZJVQGBORF-UHFFFAOYSA-N 1 0 248.286 0.240 20 30 BCEDRO CS(=O)(=O)CC[NH2+]Cc1cccc(C#N)c1 ZINC000037740441 712753185 /nfs/dbraw/zinc/75/31/85/712753185.db2.gz DFPFLNGBJZTCSE-UHFFFAOYSA-N 1 0 238.312 0.692 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc2n1CCC2 ZINC000719157535 712798795 /nfs/dbraw/zinc/79/87/95/712798795.db2.gz FFXVTTSBTYEBFM-JTQLQIEISA-N 1 0 219.288 0.303 20 30 BCEDRO C=C(Cl)CNC(=O)c1c(C[NH3+])cnn1C ZINC000719243119 712801212 /nfs/dbraw/zinc/80/12/12/712801212.db2.gz DLQVLGZPEXDEJP-UHFFFAOYSA-N 1 0 228.683 0.361 20 30 BCEDRO CNC(NC[C@]1(OC)CCSC1)=[NH+]C ZINC000719307873 712803908 /nfs/dbraw/zinc/80/39/08/712803908.db2.gz KXDRUCACDTXRHG-SECBINFHSA-N 1 0 217.338 0.303 20 30 BCEDRO C[C@H]1[C@H](NC(=O)C(C)(C)C#N)CC[N@@H+]1C ZINC000719356008 712805322 /nfs/dbraw/zinc/80/53/22/712805322.db2.gz XWRINLDQEUTGCB-DTWKUNHWSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)C(C)(C)C#N)CC[N@@H+]1C ZINC000719356010 712805339 /nfs/dbraw/zinc/80/53/39/712805339.db2.gz XWRINLDQEUTGCB-IUCAKERBSA-N 1 0 209.293 0.745 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000720621657 712859758 /nfs/dbraw/zinc/85/97/58/712859758.db2.gz GXCQZXOFKZNDOC-NTZNESFSSA-N 1 0 237.347 0.218 20 30 BCEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1nccnc1C#N ZINC001164630591 719153716 /nfs/dbraw/zinc/15/37/16/719153716.db2.gz JKZCOUTVCKKMGY-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@@H]1CN(c2cncc(C#N)n2)[C@@H](C)C[N@@H+]1C ZINC000591460055 719168240 /nfs/dbraw/zinc/16/82/40/719168240.db2.gz DJEUFRSEWAFRFZ-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C#N)cn3)C[C@H]21 ZINC000301686777 719367351 /nfs/dbraw/zinc/36/73/51/719367351.db2.gz XFLAXDHCXIBSJS-VXGBXAGGSA-N 1 0 244.298 0.472 20 30 BCEDRO C=C[C@@H](C)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418330682 192025251 /nfs/dbraw/zinc/02/52/51/192025251.db2.gz CRICKWIEMIDZKX-NXEZZACHSA-N 1 0 211.309 0.860 20 30 BCEDRO C[NH+](C)CC1(C(=O)NCC2(C#N)CC2)CC1 ZINC000602147948 349453384 /nfs/dbraw/zinc/45/33/84/349453384.db2.gz GTBOHOOHBFXQTI-UHFFFAOYSA-N 1 0 221.304 0.748 20 30 BCEDRO C[NH+](C)[C@@H]1C[C@H](NC(=O)CC#N)C1(C)C ZINC000602172667 349459623 /nfs/dbraw/zinc/45/96/23/349459623.db2.gz OLQQPDDUWGGYKO-DTWKUNHWSA-N 1 0 209.293 0.745 20 30 BCEDRO COCCN(CC#N)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000602158692 349465363 /nfs/dbraw/zinc/46/53/63/349465363.db2.gz PSZYEKZCCPZLLL-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO N#C[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000602159226 349465406 /nfs/dbraw/zinc/46/54/06/349465406.db2.gz QUBRAPGGHAQMQV-ONGXEEELSA-N 1 0 237.303 0.004 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000270919558 398143320 /nfs/dbraw/zinc/14/33/20/398143320.db2.gz IVQJSCQVDFTWFT-VIFPVBQESA-N 1 0 246.738 0.823 20 30 BCEDRO CN(C)C(=[NH+]C[C@@H]1CCCS1(=O)=O)N(C)C ZINC000153250246 136212786 /nfs/dbraw/zinc/21/27/86/136212786.db2.gz HPYCIBFOUSTREJ-VIFPVBQESA-N 1 0 247.364 0.043 20 30 BCEDRO N#Cc1ccc(C(=O)N2CCO[C@H](C[NH3+])C2)cc1 ZINC000159432264 136214232 /nfs/dbraw/zinc/21/42/32/136214232.db2.gz LOOIZHMLVAABPN-GFCCVEGCSA-N 1 0 245.282 0.358 20 30 BCEDRO C#CC[NH+]1CCC(CC(=O)N(C)C)CC1 ZINC000272686483 398147964 /nfs/dbraw/zinc/14/79/64/398147964.db2.gz DERMWZLUEBNMRP-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H](O)CCOCC ZINC000277879146 398154331 /nfs/dbraw/zinc/15/43/31/398154331.db2.gz YZYBDXKJYMMIDP-LBPRGKRZSA-N 1 0 209.289 0.342 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]2CCCC[NH2+]2)nn1 ZINC000424206223 398175598 /nfs/dbraw/zinc/17/55/98/398175598.db2.gz HEVYBUPRAUMCOO-LLVKDONJSA-N 1 0 249.318 0.222 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)[C@@H](C)[NH3+] ZINC000424206660 398176811 /nfs/dbraw/zinc/17/68/11/398176811.db2.gz HUKCBTOIUOORSG-ZNSHCXBVSA-N 1 0 226.320 0.677 20 30 BCEDRO C=CCCOCC(=O)NC(C)(C)C[NH3+] ZINC000379986014 398179683 /nfs/dbraw/zinc/17/96/83/398179683.db2.gz VBSUCCHWDRZMTJ-UHFFFAOYSA-N 1 0 200.282 0.433 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H](C)[C@@H](C)OC)nn1 ZINC000424290914 398180298 /nfs/dbraw/zinc/18/02/98/398180298.db2.gz CMWFRHRZFAYXHE-VHSXEESVSA-N 1 0 224.308 0.977 20 30 BCEDRO Cc1nn(C)c(C)c1CNC(=[NH2+])N(C)C ZINC000178563403 136217489 /nfs/dbraw/zinc/21/74/89/136217489.db2.gz BIZUFLXHNFXGKQ-UHFFFAOYSA-N 1 0 209.297 0.413 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1CNCC[C@H]1C ZINC000423020276 398162750 /nfs/dbraw/zinc/16/27/50/398162750.db2.gz ZRBBVJYMBUNPDK-WOPDTQHZSA-N 1 0 212.337 0.759 20 30 BCEDRO CC#CC[N@H+](C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000339752122 398163000 /nfs/dbraw/zinc/16/30/00/398163000.db2.gz KBAOMUKDHPEPHX-BETUJISGSA-N 1 0 222.332 0.805 20 30 BCEDRO C=CCOCCCC(=O)N[C@@H](C)CC[NH3+] ZINC000309376466 136217953 /nfs/dbraw/zinc/21/79/53/136217953.db2.gz CQRPZNBJNYZFOF-JTQLQIEISA-N 1 0 214.309 0.823 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)CCOCCCOC ZINC000649407892 398207537 /nfs/dbraw/zinc/20/75/37/398207537.db2.gz IRINGOLVTYTZFY-LBPRGKRZSA-N 1 0 231.336 0.908 20 30 BCEDRO C=CCNC(=O)CN(C)Cc1cnn(CC)c1 ZINC000072989262 343984182 /nfs/dbraw/zinc/98/41/82/343984182.db2.gz ORANLNFQETYAEL-UHFFFAOYSA-N 1 0 236.319 0.637 20 30 BCEDRO C=C(C)CC[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000386759242 398219855 /nfs/dbraw/zinc/21/98/55/398219855.db2.gz IBVBWLGRNPZTFR-UHFFFAOYSA-N 1 0 244.316 0.983 20 30 BCEDRO C[NH+](C)CCN(CC#N)Cc1ccccn1 ZINC000576357001 365576243 /nfs/dbraw/zinc/57/62/43/365576243.db2.gz KKGXHXQUPSHGAN-UHFFFAOYSA-N 1 0 218.304 0.969 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](O)C[NH+]1CCCC1 ZINC000386746236 398219210 /nfs/dbraw/zinc/21/92/10/398219210.db2.gz ZQZIIEARPPYXEM-LBPRGKRZSA-N 1 0 212.337 0.999 20 30 BCEDRO N#CCCCC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000576332753 365567476 /nfs/dbraw/zinc/56/74/76/365567476.db2.gz OJZVRFXMPOMTRG-GHMZBOCLSA-N 1 0 212.293 0.355 20 30 BCEDRO N#CCC1(C[NH2+]C[C@@H](O)Cn2cccn2)CC1 ZINC000576392847 365583912 /nfs/dbraw/zinc/58/39/12/365583912.db2.gz HTDWMTCHGVWDMF-LLVKDONJSA-N 1 0 234.303 0.527 20 30 BCEDRO C=CCN(C(=O)N[C@H]1CC[NH2+]C1)C1CC1 ZINC000418384065 192030898 /nfs/dbraw/zinc/03/08/98/192030898.db2.gz NYANNPBWPHQIBO-VIFPVBQESA-N 1 0 209.293 0.708 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@H](C[NH3+])C1CC1 ZINC000418394376 192032436 /nfs/dbraw/zinc/03/24/36/192032436.db2.gz GHIBXUWIZJIBBR-LLVKDONJSA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418396157 192032767 /nfs/dbraw/zinc/03/27/67/192032767.db2.gz ZHNAARZVBXMDKF-JTQLQIEISA-N 1 0 227.308 0.192 20 30 BCEDRO N#CC1(C(=O)N[C@@H](C[NH3+])C2CC2)CC2(CC2)C1 ZINC000602435397 349522379 /nfs/dbraw/zinc/52/23/79/349522379.db2.gz SWGYYNDVKGWYER-JTQLQIEISA-N 1 0 233.315 0.924 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCSC[C@H](C)C1 ZINC000190482505 398230525 /nfs/dbraw/zinc/23/05/25/398230525.db2.gz IEUMGEWQRQVHPQ-SNVBAGLBSA-N 1 0 228.361 0.974 20 30 BCEDRO C=C[C@@H](CO)NC(=O)N[C@@H](C[NH3+])CCCC ZINC000418448297 192036135 /nfs/dbraw/zinc/03/61/35/192036135.db2.gz QOPWUWTYCMMDNG-VHSXEESVSA-N 1 0 229.324 0.350 20 30 BCEDRO C=CCN(CCOC)C(=O)NCC(C)(C)[NH3+] ZINC000418417824 192035457 /nfs/dbraw/zinc/03/54/57/192035457.db2.gz VRQVGNKGKNYVQV-UHFFFAOYSA-N 1 0 229.324 0.568 20 30 BCEDRO CC#CCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418434579 192035757 /nfs/dbraw/zinc/03/57/57/192035757.db2.gz FGMVQUHORDZRPF-JTQLQIEISA-N 1 0 211.309 0.682 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418442834 192036427 /nfs/dbraw/zinc/03/64/27/192036427.db2.gz FFPMKMXVHLUEGO-NWDGAFQWSA-N 1 0 249.314 0.533 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@H](C[NH3+])C2)CC2(CC2)C1 ZINC000602428483 349533090 /nfs/dbraw/zinc/53/30/90/349533090.db2.gz OLESAFFBEUDJIB-JTQLQIEISA-N 1 0 233.315 0.878 20 30 BCEDRO C[NH2+]CCCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000602425891 349533299 /nfs/dbraw/zinc/53/32/99/349533299.db2.gz XQTAGKVAMPCYLU-UHFFFAOYSA-N 1 0 221.304 0.796 20 30 BCEDRO N#CC1(C(=O)NCC[NH2+]C2CC2)CC2(CC2)C1 ZINC000602427332 349533316 /nfs/dbraw/zinc/53/33/16/349533316.db2.gz FIEMHYCEFUDOPV-UHFFFAOYSA-N 1 0 233.315 0.939 20 30 BCEDRO N#CC1(C(=O)N[C@H]2CC[NH2+]C2)CC2(CC2)C1 ZINC000602425845 349532362 /nfs/dbraw/zinc/53/23/62/349532362.db2.gz WOXNEDFTYJERTJ-VIFPVBQESA-N 1 0 219.288 0.548 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418422912 192037008 /nfs/dbraw/zinc/03/70/08/192037008.db2.gz BLOYREJODZDYLG-ZJUUUORDSA-N 1 0 229.324 0.206 20 30 BCEDRO N#CC1(C(=O)NCC2CC[NH2+]CC2)CCC1 ZINC000602425826 349532566 /nfs/dbraw/zinc/53/25/66/349532566.db2.gz VOTOSIYIJMKMQT-UHFFFAOYSA-N 1 0 221.304 0.796 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]1CCC[NH2+]1 ZINC000381518059 398254080 /nfs/dbraw/zinc/25/40/80/398254080.db2.gz SQWYNQRHBIIZSA-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C=C[C@H](C(=O)OC)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000301046439 349538118 /nfs/dbraw/zinc/53/81/18/349538118.db2.gz OTYNNARIFLTAHZ-OUAUKWLOSA-N 1 0 226.320 0.738 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CC1(F)F ZINC000295498420 398265614 /nfs/dbraw/zinc/26/56/14/398265614.db2.gz OLYKDYJTKGRCCZ-SECBINFHSA-N 1 0 230.258 0.713 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CC1(F)F ZINC000295498423 398265702 /nfs/dbraw/zinc/26/57/02/398265702.db2.gz OLYKDYJTKGRCCZ-VIFPVBQESA-N 1 0 230.258 0.713 20 30 BCEDRO CNC(=O)N1CC[NH+](C[C@@H](C)CCC#N)CC1 ZINC000602478438 349564229 /nfs/dbraw/zinc/56/42/29/349564229.db2.gz YEWLKUVGQBGWFG-NSHDSACASA-N 1 0 238.335 0.883 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000602485682 349567807 /nfs/dbraw/zinc/56/78/07/349567807.db2.gz ZCYCFKJNGFCNPP-SECBINFHSA-N 1 0 221.304 0.781 20 30 BCEDRO N#CC1(C(=O)N2CC[C@H]3CC[NH2+][C@H]3C2)CCC1 ZINC000602490122 349570199 /nfs/dbraw/zinc/57/01/99/349570199.db2.gz AGPFTAJWEBQWDV-MNOVXSKESA-N 1 0 233.315 0.891 20 30 BCEDRO N#CC1(C(=O)N[C@H]2CCC[NH2+]CC2)CCC1 ZINC000602488265 349570240 /nfs/dbraw/zinc/57/02/40/349570240.db2.gz SICMDUIDFVZKBP-JTQLQIEISA-N 1 0 221.304 0.939 20 30 BCEDRO C[C@]1(C[NH3+])CCN(C(=O)C2(C#N)CCC2)C1 ZINC000602490316 349571170 /nfs/dbraw/zinc/57/11/70/349571170.db2.gz QZULIOCNFSXOAS-LLVKDONJSA-N 1 0 221.304 0.878 20 30 BCEDRO CC[N@H+](CCO)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000346241951 136233838 /nfs/dbraw/zinc/23/38/38/136233838.db2.gz OABYQGFDLBBEKT-SNVBAGLBSA-N 1 0 239.319 0.252 20 30 BCEDRO C=C[C@](C)(CC)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000442821044 398269314 /nfs/dbraw/zinc/26/93/14/398269314.db2.gz LSXHANOJBAKJCR-OLZOCXBDSA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@H]1CC(=O)N(C)C1 ZINC000602527301 349578195 /nfs/dbraw/zinc/57/81/95/349578195.db2.gz OALXEWSFWFQHBP-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO CCC(C#N)(CC)C(=O)NC[C@H]1C[NH2+]CCO1 ZINC000602511443 349584928 /nfs/dbraw/zinc/58/49/28/349584928.db2.gz RXEZMORKBXSPPC-SNVBAGLBSA-N 1 0 239.319 0.421 20 30 BCEDRO C=CCSCC[NH2+]Cc1cnc(N)nc1N ZINC000602544505 349588828 /nfs/dbraw/zinc/58/88/28/349588828.db2.gz KFIIUNVQDGRBJF-UHFFFAOYSA-N 1 0 239.348 0.311 20 30 BCEDRO CCCNC(=O)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602518180 349573837 /nfs/dbraw/zinc/57/38/37/349573837.db2.gz LPNWVRKDLCDNLT-UHFFFAOYSA-N 1 0 246.314 0.959 20 30 BCEDRO C=CCNC(=O)CN1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000346191640 136233653 /nfs/dbraw/zinc/23/36/53/136233653.db2.gz OLBXYAAZNSBXJV-NEPJUHHUSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCNC(=O)CN1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000346191645 136233821 /nfs/dbraw/zinc/23/38/21/136233821.db2.gz OLBXYAAZNSBXJV-VXGBXAGGSA-N 1 0 239.363 0.703 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000602535842 349602890 /nfs/dbraw/zinc/60/28/90/349602890.db2.gz ZBZGRCIMEDSVRH-AXFHLTTASA-N 1 0 221.304 0.876 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@]1(C)CCO[C@H]1C ZINC000378863275 346848604 /nfs/dbraw/zinc/84/86/04/346848604.db2.gz VCFQOKUZXSOVGU-CMPLNLGQSA-N 1 0 224.304 0.283 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]2COCC[NH2+]2)CCCC1 ZINC000602551952 349593894 /nfs/dbraw/zinc/59/38/94/349593894.db2.gz PVMLESSRGAKPPX-SNVBAGLBSA-N 1 0 237.303 0.175 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CCO[C@@H](C#N)C1 ZINC000259869803 349608666 /nfs/dbraw/zinc/60/86/66/349608666.db2.gz JGMQLAHRVWTDHK-QWRGUYRKSA-N 1 0 237.303 0.222 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H](C)C[NH3+] ZINC000418489470 192041585 /nfs/dbraw/zinc/04/15/85/192041585.db2.gz LTIIKRYUCWRDSR-ZJUUUORDSA-N 1 0 229.324 0.208 20 30 BCEDRO C=CCNC(=O)NCCC1CC[NH2+]CC1 ZINC000649481522 398278991 /nfs/dbraw/zinc/27/89/91/398278991.db2.gz KKQYVFBTZFUREP-UHFFFAOYSA-N 1 0 211.309 0.861 20 30 BCEDRO C[C@H](C#N)C[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000309593405 342729283 /nfs/dbraw/zinc/72/92/83/342729283.db2.gz VMYQDIWASURVHD-NXEZZACHSA-N 1 0 219.292 0.674 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000583331818 342735318 /nfs/dbraw/zinc/73/53/18/342735318.db2.gz OUTZKZDZMGGNBT-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000629988906 361873429 /nfs/dbraw/zinc/87/34/29/361873429.db2.gz JPVRGPJKLWCLTN-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@@H]1CN(c2nccc(C#N)n2)C[C@@]1(C)C[NH3+] ZINC000310241969 229494148 /nfs/dbraw/zinc/49/41/48/229494148.db2.gz BUEYTWLOFQEAKH-BXKDBHETSA-N 1 0 231.303 0.769 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CSC[C@@H]1C ZINC000378925915 346861392 /nfs/dbraw/zinc/86/13/92/346861392.db2.gz SDMQFWQBDHTRJQ-UWVGGRQHSA-N 1 0 226.345 0.467 20 30 BCEDRO CCOC(=O)[C@H](C)[C@H](C)[NH2+]CC#CCOC ZINC000309643390 342775020 /nfs/dbraw/zinc/77/50/20/342775020.db2.gz LHXUZWSZCNXJEJ-MNOVXSKESA-N 1 0 227.304 0.814 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418503060 192044124 /nfs/dbraw/zinc/04/41/24/192044124.db2.gz WRLUCIBGRZUNNW-MWLCHTKSSA-N 1 0 241.335 0.208 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418503059 192044300 /nfs/dbraw/zinc/04/43/00/192044300.db2.gz WRLUCIBGRZUNNW-KOLCDFICSA-N 1 0 241.335 0.208 20 30 BCEDRO C=CCN(C(=O)C[C@@H](C[NH3+])OC)C1CC1 ZINC000232124112 342788039 /nfs/dbraw/zinc/78/80/39/342788039.db2.gz DYXXEOVGJWULRC-JTQLQIEISA-N 1 0 212.293 0.527 20 30 BCEDRO C[NH2+]CCC(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000602601836 349624925 /nfs/dbraw/zinc/62/49/25/349624925.db2.gz LIMJZMDDLSQZEJ-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H]([NH3+])C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602575456 349623940 /nfs/dbraw/zinc/62/39/40/349623940.db2.gz HNXIKLXHXKLRNG-SNVBAGLBSA-N 1 0 243.310 0.985 20 30 BCEDRO CN(C(=O)[C@H]1CCC[NH2+]1)[C@@H]1CCC[C@H]1C#N ZINC000602601753 349624649 /nfs/dbraw/zinc/62/46/49/349624649.db2.gz LEXBUZXSOHJQOJ-HBNTYKKESA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C1(C#N)CC2(CC2)C1 ZINC000602574003 349622874 /nfs/dbraw/zinc/62/28/74/349622874.db2.gz POTNXPYDYXSZJR-VHSXEESVSA-N 1 0 233.315 0.937 20 30 BCEDRO CC[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000602603409 349626220 /nfs/dbraw/zinc/62/62/20/349626220.db2.gz RPNUBNBCCKYRKV-UTLUCORTSA-N 1 0 209.293 0.874 20 30 BCEDRO Cn1ncc(C(=O)NCC[NH2+]C(C)(C)C)c1C#N ZINC000359596634 398293039 /nfs/dbraw/zinc/29/30/39/398293039.db2.gz XYBCFLZSRCDCKA-UHFFFAOYSA-N 1 0 249.318 0.410 20 30 BCEDRO C=C(C)C[C@H](NC(=O)C[C@@H](C)[NH3+])C(=O)OC ZINC000602602580 349625645 /nfs/dbraw/zinc/62/56/45/349625645.db2.gz UZRDGLWNXCTCRM-BDAKNGLRSA-N 1 0 228.292 0.348 20 30 BCEDRO C=CC[C@H](C)[C@H](C)[NH2+]CCc1nnnn1C ZINC000381235941 538996660 /nfs/dbraw/zinc/99/66/60/538996660.db2.gz LYWKWQFDNXMBQO-UWVGGRQHSA-N 1 0 223.324 0.943 20 30 BCEDRO C=CC[C@@H](C)[C@@H](C)[NH2+]CCc1nnnn1C ZINC000381235939 538996846 /nfs/dbraw/zinc/99/68/46/538996846.db2.gz LYWKWQFDNXMBQO-NXEZZACHSA-N 1 0 223.324 0.943 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NCC[NH2+]CCOC ZINC000418550265 192049555 /nfs/dbraw/zinc/04/95/55/192049555.db2.gz LNQXMYURXLTMQM-SNVBAGLBSA-N 1 0 229.324 0.486 20 30 BCEDRO C[NH2+]CCCC(=O)N1CCN(CCC#N)CC1 ZINC000134823088 342893767 /nfs/dbraw/zinc/89/37/67/342893767.db2.gz JIRMTHRIYIXBGL-UHFFFAOYSA-N 1 0 238.335 0.044 20 30 BCEDRO CC[C@H](CC#N)[NH2+][C@@H](C)Cn1cncn1 ZINC000602611432 349634699 /nfs/dbraw/zinc/63/46/99/349634699.db2.gz LMFKFDJOEVJEOR-VHSXEESVSA-N 1 0 207.281 0.948 20 30 BCEDRO C[N@H+](CC(=O)N1CCO[C@@H](C#N)C1)C1CCC1 ZINC000600816584 398313351 /nfs/dbraw/zinc/31/33/51/398313351.db2.gz DWMXOWMGQHEYCA-NSHDSACASA-N 1 0 237.303 0.222 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@@]1(O)CCN(C)C1 ZINC000602612255 349636847 /nfs/dbraw/zinc/63/68/47/349636847.db2.gz ORBFNLMSSNVRLH-NEPJUHHUSA-N 1 0 225.336 0.582 20 30 BCEDRO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC[C@@H]1C#N ZINC000602600968 349647627 /nfs/dbraw/zinc/64/76/27/349647627.db2.gz IFOQQAHRVLJWFN-ZNSHCXBVSA-N 1 0 221.304 0.874 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000418581912 192053275 /nfs/dbraw/zinc/05/32/75/192053275.db2.gz MKFDFDREVTUZCC-OUAUKWLOSA-N 1 0 241.335 0.493 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N2CC(CC#N)C2)C1 ZINC000260134280 349644382 /nfs/dbraw/zinc/64/43/82/349644382.db2.gz OPIWLCMDDXBZKQ-SNVBAGLBSA-N 1 0 207.277 0.310 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@H](CC)[NH2+]C)C(=O)OC ZINC000602599851 349645900 /nfs/dbraw/zinc/64/59/00/349645900.db2.gz LMWHBPSLZVUWOK-VHSXEESVSA-N 1 0 242.319 0.608 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@@H](C)[C@@H](C)[NH3+])C(=O)OC ZINC000602599327 349645927 /nfs/dbraw/zinc/64/59/27/349645927.db2.gz HWBPGPXQWLHFBF-AEJSXWLSSA-N 1 0 242.319 0.594 20 30 BCEDRO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[C@@H]1C#N ZINC000602600929 349646675 /nfs/dbraw/zinc/64/66/75/349646675.db2.gz IFOQQAHRVLJWFN-CHWFTXMASA-N 1 0 221.304 0.874 20 30 BCEDRO C=C(C)C[C@H](NC(=O)CC[C@@H](C)[NH3+])C(=O)OC ZINC000602600891 349646850 /nfs/dbraw/zinc/64/68/50/349646850.db2.gz PURPJLUXEFDACS-ZJUUUORDSA-N 1 0 242.319 0.738 20 30 BCEDRO N#Cc1ncn(CC[NH2+]CCC2CCOCC2)n1 ZINC000602653598 349660390 /nfs/dbraw/zinc/66/03/90/349660390.db2.gz HDAHNPXONUIGQF-UHFFFAOYSA-N 1 0 249.318 0.556 20 30 BCEDRO COC[C@H](CO)[NH2+]C[C@H](C)CCC#N ZINC000602637881 349651984 /nfs/dbraw/zinc/65/19/84/349651984.db2.gz IEQDVWABLPGIFX-ZJUUUORDSA-N 1 0 200.282 0.523 20 30 BCEDRO C#CCNC(=O)NCC1([NH+](C)C)CCC1 ZINC000275511315 166178153 /nfs/dbraw/zinc/17/81/53/166178153.db2.gz CWJVTNRMIAOTEN-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO C[NH2+]C1CCN(c2cncc(C#N)n2)CC1 ZINC000401540214 346880431 /nfs/dbraw/zinc/88/04/31/346880431.db2.gz ZTMSOJCEQFIFDB-UHFFFAOYSA-N 1 0 217.276 0.536 20 30 BCEDRO CO[C@H](C[NH2+]CC1(C#N)CC1)[C@H]1CCOC1 ZINC000602643755 349656221 /nfs/dbraw/zinc/65/62/21/349656221.db2.gz STALTSDGBHIBAR-WDEREUQCSA-N 1 0 224.304 0.931 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000602626639 349663697 /nfs/dbraw/zinc/66/36/97/349663697.db2.gz MLZIRVJRCUQGOB-UWVGGRQHSA-N 1 0 245.348 0.289 20 30 BCEDRO CC#CCNC(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000418613402 192055541 /nfs/dbraw/zinc/05/55/41/192055541.db2.gz FLOQANWIZZMTOI-LLVKDONJSA-N 1 0 223.320 0.826 20 30 BCEDRO CNC(=O)C1C[NH+](C[C@@H](C)CCC#N)C1 ZINC000602688063 349678237 /nfs/dbraw/zinc/67/82/37/349678237.db2.gz JISZOQRVZIJOBD-VIFPVBQESA-N 1 0 209.293 0.604 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)c1ccc(C#N)cc1 ZINC000082577021 398341961 /nfs/dbraw/zinc/34/19/61/398341961.db2.gz FVHINENCIZDXAJ-QMMMGPOBSA-N 1 0 203.245 0.635 20 30 BCEDRO C[C@H](CO)[N@H+](C)Cc1cccc(C#N)n1 ZINC000602661927 349682393 /nfs/dbraw/zinc/68/23/93/349682393.db2.gz JBPSIPCWDPIMAZ-SECBINFHSA-N 1 0 205.261 0.766 20 30 BCEDRO C=C(C)CC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000351755315 136252001 /nfs/dbraw/zinc/25/20/01/136252001.db2.gz ICLPPFWVPYMPSN-UHFFFAOYSA-N 1 0 246.376 0.953 20 30 BCEDRO CO[C@@]1(C[N@@H+]2CC[C@@](O)(CC#N)C2)CCOC1 ZINC000602694735 349691413 /nfs/dbraw/zinc/69/14/13/349691413.db2.gz BVBMPOMFKKFCBQ-NWDGAFQWSA-N 1 0 240.303 0.142 20 30 BCEDRO CNC(=O)[C@@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602698275 349694261 /nfs/dbraw/zinc/69/42/61/349694261.db2.gz NCNRRAFNASCTPS-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO CO[C@H](C[NH+]1CC(CC#N)C1)[C@H]1CCOC1 ZINC000602705972 349700173 /nfs/dbraw/zinc/70/01/73/349700173.db2.gz FRMPCVQPDDMQOA-NWDGAFQWSA-N 1 0 224.304 0.883 20 30 BCEDRO N#Cc1ncccc1N1CCC([NH2+]CCO)CC1 ZINC000584026106 342974531 /nfs/dbraw/zinc/97/45/31/342974531.db2.gz PWULRDCSOBNKAD-UHFFFAOYSA-N 1 0 246.314 0.504 20 30 BCEDRO C[C@@H](CC1(C#N)CCOCC1)[NH2+]Cc1cnn[nH]1 ZINC000602713468 349705440 /nfs/dbraw/zinc/70/54/40/349705440.db2.gz BPINCMCHBMSSPC-JTQLQIEISA-N 1 0 249.318 0.993 20 30 BCEDRO C#CCN1CCN(CC(=O)N[C@H](C)CC)CC1 ZINC000045915521 342985796 /nfs/dbraw/zinc/98/57/96/342985796.db2.gz RTPZYHIXTXNMDW-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000602726202 349715950 /nfs/dbraw/zinc/71/59/50/349715950.db2.gz WGVHRUJJZIWHGD-GHMZBOCLSA-N 1 0 239.319 0.502 20 30 BCEDRO C[N@H+](CC1(CC#N)CC1)[C@@]1(CO)CCOC1 ZINC000602803703 349742846 /nfs/dbraw/zinc/74/28/46/349742846.db2.gz ACHZAAWMAOQBPU-GFCCVEGCSA-N 1 0 224.304 0.763 20 30 BCEDRO C=CC[C@H](C)[C@H](C)[NH2+]CC(=O)NCC(=O)OC ZINC000602752121 349730780 /nfs/dbraw/zinc/73/07/80/349730780.db2.gz XMXYRPDKLNMRNZ-UWVGGRQHSA-N 1 0 242.319 0.466 20 30 BCEDRO N#CCC1(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)CC1 ZINC000602814777 349756701 /nfs/dbraw/zinc/75/67/01/349756701.db2.gz HPMNYLCCKVRHSL-QWRGUYRKSA-N 1 0 224.304 0.355 20 30 BCEDRO COCCCNC(=O)[C@H](C)N[C@@H](C)CC#N ZINC000602861714 349773592 /nfs/dbraw/zinc/77/35/92/349773592.db2.gz HVFYLRINPWZYOR-UWVGGRQHSA-N 1 0 227.308 0.419 20 30 BCEDRO C[C@@H](CC#N)[NH2+]C[C@H](O)Cn1cccn1 ZINC000602861943 349773766 /nfs/dbraw/zinc/77/37/66/349773766.db2.gz JTQPQIVOWFYRFH-UWVGGRQHSA-N 1 0 208.265 0.136 20 30 BCEDRO COC[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000042504550 362005321 /nfs/dbraw/zinc/00/53/21/362005321.db2.gz BVICCZNMPBFFHW-CYBMUJFWSA-N 1 0 234.299 0.997 20 30 BCEDRO Cc1cc(NC(=O)CN[C@H](C)CC#N)n(C)n1 ZINC000602859797 349771058 /nfs/dbraw/zinc/77/10/58/349771058.db2.gz AROPJIARYUNUOZ-MRVPVSSYSA-N 1 0 235.291 0.559 20 30 BCEDRO N#CCc1ccc(CNC(=O)[C@H]2CC[NH2+]2)cc1 ZINC000516651450 346921171 /nfs/dbraw/zinc/92/11/71/346921171.db2.gz ABUARQMZEHRPMX-GFCCVEGCSA-N 1 0 229.283 0.731 20 30 BCEDRO N#Cc1cc(N2CCC[C@H]([NH3+])C2)ncn1 ZINC000308803800 346921751 /nfs/dbraw/zinc/92/17/51/346921751.db2.gz LTFLOLJTPPIABN-QMMMGPOBSA-N 1 0 203.249 0.276 20 30 BCEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000602880983 349790828 /nfs/dbraw/zinc/79/08/28/349790828.db2.gz ALWCTUMEFSXDGQ-VHSXEESVSA-N 1 0 238.287 0.600 20 30 BCEDRO C[NH+](C)C[C@@]1(O)CCCN(CC2(C#N)CC2)C1 ZINC000602878843 349790869 /nfs/dbraw/zinc/79/08/69/349790869.db2.gz ZGCUJPWAKJRJNL-ZDUSSCGKSA-N 1 0 237.347 0.679 20 30 BCEDRO CC[C@@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849758 349784710 /nfs/dbraw/zinc/78/47/10/349784710.db2.gz NMXGUCKKZVHKGA-GRYCIOLGSA-N 1 0 225.336 0.675 20 30 BCEDRO C[C@@H]1C[NH+](CCc2cn[nH]c2)C[C@@H](C)N1CC#N ZINC000602849712 349785061 /nfs/dbraw/zinc/78/50/61/349785061.db2.gz MSRZGJTZHYHPAA-VXGBXAGGSA-N 1 0 247.346 0.870 20 30 BCEDRO CC(C)[N@@H+]1CCC[C@@H](NC(=O)CC#N)C1 ZINC000336477896 136264211 /nfs/dbraw/zinc/26/42/11/136264211.db2.gz RFUJUZPZGMIVAN-SNVBAGLBSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634649806 343061812 /nfs/dbraw/zinc/06/18/12/343061812.db2.gz VNTNNZHVAJWKSO-NSHDSACASA-N 1 0 229.320 0.445 20 30 BCEDRO C=C(C)CNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418655697 192059072 /nfs/dbraw/zinc/05/90/72/192059072.db2.gz OCRHQPIBLOACMZ-GFCCVEGCSA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCNC(=O)[C@@H](C)n1cc([C@H]([NH3+])CC)nn1 ZINC000640884079 362068887 /nfs/dbraw/zinc/06/88/87/362068887.db2.gz UUIYSCBUYFSFSR-RKDXNWHRSA-N 1 0 237.307 0.551 20 30 BCEDRO C[NH2+]C[C@@H](C)CNc1cnc(C#N)cn1 ZINC000168359725 136267806 /nfs/dbraw/zinc/26/78/06/136267806.db2.gz CZHFFXXYEAAZJN-MRVPVSSYSA-N 1 0 205.265 0.616 20 30 BCEDRO C=C(C)Cn1cc(C[C@@H]([NH3+])COC)nn1 ZINC000640804405 362052726 /nfs/dbraw/zinc/05/27/26/362052726.db2.gz XPPYUXXOTZNTDQ-SECBINFHSA-N 1 0 210.281 0.370 20 30 BCEDRO C[NH+](C)C[C@]1(O)CCCN(CCC#N)C1 ZINC000602890733 349795214 /nfs/dbraw/zinc/79/52/14/349795214.db2.gz IYUGZHUKAZXLFG-LLVKDONJSA-N 1 0 211.309 0.289 20 30 BCEDRO C=CCCOCCNC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000362957751 136268987 /nfs/dbraw/zinc/26/89/87/136268987.db2.gz KUSJBQXKXKTYHA-RYUDHWBXSA-N 1 0 240.347 0.893 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000083053609 343119058 /nfs/dbraw/zinc/11/90/58/343119058.db2.gz WMFVUIBSOMOLMX-JTQLQIEISA-N 1 0 229.349 0.335 20 30 BCEDRO CC(C)OC[C@@H](O)C[NH2+][C@@H](C)CC#N ZINC000602864554 349796878 /nfs/dbraw/zinc/79/68/78/349796878.db2.gz RXAWTIZMZYWRHE-UWVGGRQHSA-N 1 0 200.282 0.664 20 30 BCEDRO COc1ccc(COCCCNC(N)=[NH2+])cc1 ZINC000167025674 343119880 /nfs/dbraw/zinc/11/98/80/343119880.db2.gz RQTFKPBTAFFLIG-UHFFFAOYSA-N 1 0 237.303 0.875 20 30 BCEDRO CCOCC[C@@H](O)C[NH2+][C@@H](C)CC#N ZINC000602868423 349798948 /nfs/dbraw/zinc/79/89/48/349798948.db2.gz BGZKADFQWPEOPS-VHSXEESVSA-N 1 0 200.282 0.666 20 30 BCEDRO Cc1ncc([N+](=O)[O-])n1CC[NH2+][C@@H](C)CC#N ZINC000602868887 349800025 /nfs/dbraw/zinc/80/00/25/349800025.db2.gz DVDSUUGJDQBDSA-QMMMGPOBSA-N 1 0 237.263 0.992 20 30 BCEDRO C[C@@H](CC#N)[NH2+]CCC(=O)N(C)CCC#N ZINC000602869252 349800047 /nfs/dbraw/zinc/80/00/47/349800047.db2.gz NATAHHFQRSVMPL-JTQLQIEISA-N 1 0 222.292 0.640 20 30 BCEDRO C=CC[C@H](C)NC(=O)COC1CC[NH2+]CC1 ZINC000122462742 343159521 /nfs/dbraw/zinc/15/95/21/343159521.db2.gz RYOIWJDLPKKXLF-JTQLQIEISA-N 1 0 226.320 0.836 20 30 BCEDRO C=CC[C@@H](C)NC(=O)COC1CC[NH2+]CC1 ZINC000122462994 343159568 /nfs/dbraw/zinc/15/95/68/343159568.db2.gz RYOIWJDLPKKXLF-SNVBAGLBSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCCN(C)C(=O)c1cn(CC[NH3+])nn1 ZINC000135977080 343197157 /nfs/dbraw/zinc/19/71/57/343197157.db2.gz VPHXIFGXUPUOMG-UHFFFAOYSA-N 1 0 237.307 0.275 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](CO)c1ccccc1 ZINC000178560673 136274513 /nfs/dbraw/zinc/27/45/13/136274513.db2.gz DTFLGGNVWXKQMM-JTQLQIEISA-N 1 0 207.277 0.297 20 30 BCEDRO C=C(C)CNC(=[NH2+])N[C@@H]1C[C@H](O)C1(C)C ZINC000186872008 136275463 /nfs/dbraw/zinc/27/54/63/136275463.db2.gz CWNGJSWYGMRFIL-BDAKNGLRSA-N 1 0 211.309 0.626 20 30 BCEDRO [NH2+]=C(NCCNc1ccccn1)N1CCOCC1 ZINC000264094752 136281339 /nfs/dbraw/zinc/28/13/39/136281339.db2.gz LQIQOTDWODYFNO-UHFFFAOYSA-N 1 0 249.318 0.140 20 30 BCEDRO COc1ccc([C@@H](O)CNC(=[NH2+])NC2CC2)cc1 ZINC000264096027 136281344 /nfs/dbraw/zinc/28/13/44/136281344.db2.gz MSPNVPATYXMPIW-LBPRGKRZSA-N 1 0 249.314 0.795 20 30 BCEDRO C=CCOCCn1cc([C@H]([NH3+])CC)nn1 ZINC000641029178 362144079 /nfs/dbraw/zinc/14/40/79/362144079.db2.gz AQJMALFOXBWNOI-SECBINFHSA-N 1 0 210.281 0.891 20 30 BCEDRO COC[C@H](C)OC[C@@H](O)C[NH2+][C@H](C)CC#N ZINC000602871462 349802679 /nfs/dbraw/zinc/80/26/79/349802679.db2.gz RUTOPWLHTLJXLF-VWYCJHECSA-N 1 0 230.308 0.291 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000339112355 136280277 /nfs/dbraw/zinc/28/02/77/136280277.db2.gz MZQQVPUTMYMECO-NEPJUHHUSA-N 1 0 229.320 0.925 20 30 BCEDRO C[C@H](CC#N)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000602871942 349803375 /nfs/dbraw/zinc/80/33/75/349803375.db2.gz YSRRWMXZWNHGDS-MWLCHTKSSA-N 1 0 211.309 0.333 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@H](O)CC1(O)CCC1 ZINC000625367576 343260499 /nfs/dbraw/zinc/26/04/99/343260499.db2.gz IDMPUCCFEGBNRU-GFCCVEGCSA-N 1 0 243.347 0.787 20 30 BCEDRO C[C@H](CC#N)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000602871941 349803801 /nfs/dbraw/zinc/80/38/01/349803801.db2.gz YSRRWMXZWNHGDS-KOLCDFICSA-N 1 0 211.309 0.333 20 30 BCEDRO C[NH+]1CCC(NC(=O)NCC2(C#N)CC2)CC1 ZINC000558895159 344029723 /nfs/dbraw/zinc/02/97/23/344029723.db2.gz UFJRNAKWOIXYLC-UHFFFAOYSA-N 1 0 236.319 0.684 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569807930 323040943 /nfs/dbraw/zinc/04/09/43/323040943.db2.gz FRKLWPLKFAWQSP-ZDCRXTMVSA-N 1 0 241.335 0.755 20 30 BCEDRO C[C@@H]([NH2+]CCC(=O)N(C)CCC#N)c1cn[nH]c1 ZINC000275257556 136285610 /nfs/dbraw/zinc/28/56/10/136285610.db2.gz ZLUPYMIWWLHTLV-SNVBAGLBSA-N 1 0 249.318 0.822 20 30 BCEDRO CN1CC[NH+]=C1NC[C@H](O)Cc1ccccc1 ZINC000284994888 136287126 /nfs/dbraw/zinc/28/71/26/136287126.db2.gz HPHWGKSDKHSHEE-GFCCVEGCSA-N 1 0 233.315 0.481 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@@H]1CCc2ncnn21 ZINC000602871838 349803368 /nfs/dbraw/zinc/80/33/68/349803368.db2.gz YBPSJDRRGQHPRD-BDAKNGLRSA-N 1 0 205.265 0.657 20 30 BCEDRO C[N@H+](CCO)CCOCc1ccc(C#N)cc1 ZINC000344077609 343322931 /nfs/dbraw/zinc/32/29/31/343322931.db2.gz WGXHZTDUZLFZLF-UHFFFAOYSA-N 1 0 234.299 0.999 20 30 BCEDRO C=CCOCCC[N@@H+](C)CC(=O)N(C)C ZINC000347961096 136293329 /nfs/dbraw/zinc/29/33/29/136293329.db2.gz GMSOCDQIYSXFPV-UHFFFAOYSA-N 1 0 214.309 0.599 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N[C@]2(C#N)CCSC2)C1 ZINC000609200997 343369860 /nfs/dbraw/zinc/36/98/60/343369860.db2.gz INFDZGHWKAWABQ-ONGXEEELSA-N 1 0 239.344 0.454 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000669555239 488215846 /nfs/dbraw/zinc/21/58/46/488215846.db2.gz KQKCJRMOAJJLRJ-JTQLQIEISA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000669555263 488216058 /nfs/dbraw/zinc/21/60/58/488216058.db2.gz MIKIXCAGXHYTGI-QWRGUYRKSA-N 1 0 241.335 0.758 20 30 BCEDRO C=CCOCCNC(=O)NCC[NH2+]C1CC1 ZINC000669555176 488216121 /nfs/dbraw/zinc/21/61/21/488216121.db2.gz FHWHKQPLRSELMI-UHFFFAOYSA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000669555174 488216183 /nfs/dbraw/zinc/21/61/83/488216183.db2.gz FDSDTJPOVDTLHQ-LLVKDONJSA-N 1 0 241.335 0.630 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@H](O)[C@@H]2CCOC2)o1 ZINC000344483940 343416350 /nfs/dbraw/zinc/41/63/50/343416350.db2.gz VGQIPVYAEWRWMM-SKDRFNHKSA-N 1 0 236.271 0.638 20 30 BCEDRO Cn1cc(C[NH2+]C2CCN(CC#N)CC2)cn1 ZINC000609335225 343419097 /nfs/dbraw/zinc/41/90/97/343419097.db2.gz YMRGINOJZWZGHP-UHFFFAOYSA-N 1 0 233.319 0.498 20 30 BCEDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CCCSCC#N ZINC000602908374 349806687 /nfs/dbraw/zinc/80/66/87/349806687.db2.gz OSPZBJVEPRYNEO-GHMZBOCLSA-N 1 0 244.360 0.451 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000669555426 488216775 /nfs/dbraw/zinc/21/67/75/488216775.db2.gz XUKBTERYKSIJKZ-GHMZBOCLSA-N 1 0 241.335 0.581 20 30 BCEDRO C=CCNC(=O)NCC[N@@H+](CC)C1CC1 ZINC000101972184 136331716 /nfs/dbraw/zinc/33/17/16/136331716.db2.gz UDNHNXMNGIMCJT-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO C[N@H+](CC1(CC#N)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000602916050 349808689 /nfs/dbraw/zinc/80/86/89/349808689.db2.gz PWJWGEMQMPORQD-AOOOYVTPSA-N 1 0 221.304 0.876 20 30 BCEDRO CO[C@H]1C[C@@H](C(=O)N[C@@H]2CCO[C@@H]2C)N(C)C1 ZINC000329003219 136364467 /nfs/dbraw/zinc/36/44/67/136364467.db2.gz YAFMXXZWNGZIEU-YTWAJWBKSA-N 1 0 242.319 0.839 20 30 BCEDRO C=CCN1CC[C@@H](n2cc([C@H]([NH3+])CC)nn2)C1=O ZINC000641108087 362228083 /nfs/dbraw/zinc/22/80/83/362228083.db2.gz IIWJSBGSZQNGOQ-MWLCHTKSSA-N 1 0 249.318 0.647 20 30 BCEDRO C[C@@H](O)C[N@@H+]1CCN(CCCC#N)[C@@H](C)C1 ZINC000189556736 136372269 /nfs/dbraw/zinc/37/22/69/136372269.db2.gz VETYFPUCVFWGLS-NWDGAFQWSA-N 1 0 225.336 0.677 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308925484 346941574 /nfs/dbraw/zinc/94/15/74/346941574.db2.gz DECHTLZDDNJRMK-VHSXEESVSA-N 1 0 207.277 0.570 20 30 BCEDRO C=C[C@H](CO)NCc1cn2ccccc2n1 ZINC000289967491 136375688 /nfs/dbraw/zinc/37/56/88/136375688.db2.gz VUCUNBGMJDXSCW-SNVBAGLBSA-N 1 0 217.272 0.971 20 30 BCEDRO CCOC(=O)C[C@H](O)CN(CC)CCC#N ZINC000135025434 343489334 /nfs/dbraw/zinc/48/93/34/343489334.db2.gz MZSZEWPXWOZQHJ-JTQLQIEISA-N 1 0 228.292 0.536 20 30 BCEDRO CC(C)[N@@H+]1CC[C@@H](Nc2ncncc2C#N)C1 ZINC000389216721 343520230 /nfs/dbraw/zinc/52/02/30/343520230.db2.gz DCRKXGOCHMZYKG-LLVKDONJSA-N 1 0 231.303 0.665 20 30 BCEDRO COCC[N@H+](C)C[C@H](O)CN(C)[C@H](C)CC#N ZINC000310567341 343538384 /nfs/dbraw/zinc/53/83/84/343538384.db2.gz YCAXYQAYYDXXLB-NEPJUHHUSA-N 1 0 243.351 0.159 20 30 BCEDRO COCC[N@H+](C)C[C@@H](O)CN(C)[C@H](C)CC#N ZINC000310567346 343538461 /nfs/dbraw/zinc/53/84/61/343538461.db2.gz YCAXYQAYYDXXLB-VXGBXAGGSA-N 1 0 243.351 0.159 20 30 BCEDRO C[NH+]1CCN(CCNc2ncncc2C#N)CC1 ZINC000310629361 343548908 /nfs/dbraw/zinc/54/89/08/343548908.db2.gz HNPPKACTDOCPOB-UHFFFAOYSA-N 1 0 246.318 0.008 20 30 BCEDRO C#CCNC(=O)N1C[C@@H]2CCC[C@H]([NH3+])[C@@H]2C1 ZINC000491309278 259364414 /nfs/dbraw/zinc/36/44/14/259364414.db2.gz YJXFVVNGDINPRM-AXFHLTTASA-N 1 0 221.304 0.388 20 30 BCEDRO C=CCCOCC(=O)N(C)CC1C[NH+](C)C1 ZINC000618194997 343618893 /nfs/dbraw/zinc/61/88/93/343618893.db2.gz QTABXBORCOIJDE-UHFFFAOYSA-N 1 0 226.320 0.599 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3cnc(C#N)cn3)C[C@@H]2C1 ZINC000310925645 343605535 /nfs/dbraw/zinc/60/55/35/343605535.db2.gz GQYOSOOJISSLNM-MNOVXSKESA-N 1 0 243.314 0.736 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000379870733 343645398 /nfs/dbraw/zinc/64/53/98/343645398.db2.gz QLHUSVOOEJFFMP-ZJUUUORDSA-N 1 0 211.309 0.850 20 30 BCEDRO Cn1ccnc1CNc1cnc(C#N)cn1 ZINC000071178167 343625401 /nfs/dbraw/zinc/62/54/01/343625401.db2.gz BRKNGIMLEAZMFU-UHFFFAOYSA-N 1 0 214.232 0.694 20 30 BCEDRO C[C@H](CCC#N)[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602936365 349824349 /nfs/dbraw/zinc/82/43/49/349824349.db2.gz PIHUUYZQGJNMOW-ICCXJUOJSA-N 1 0 249.314 0.663 20 30 BCEDRO CO[C@H]1C[N@H+](CCOCCC#N)[C@](C)(CO)C1 ZINC000602963799 349826124 /nfs/dbraw/zinc/82/61/24/349826124.db2.gz IPLATKFCDYXLTD-NEPJUHHUSA-N 1 0 242.319 0.388 20 30 BCEDRO C[N@H+](C[C@@H]1CNC(=O)C1)[C@H]1CCC[C@H]1C#N ZINC000602981458 349830546 /nfs/dbraw/zinc/83/05/46/349830546.db2.gz DUEDZZUPMAGMOP-DCAQKATOSA-N 1 0 221.304 0.747 20 30 BCEDRO C[NH+]=C(NCCn1cc(C)cn1)N[C@@H]1C[C@@H]1C ZINC000132115503 133501051 /nfs/dbraw/zinc/50/10/51/133501051.db2.gz ZZTYRUIXYXBMOG-WDEREUQCSA-N 1 0 235.335 0.765 20 30 BCEDRO C[N@H+](CCC(=O)NC(N)=O)[C@H]1CCC[C@H]1C#N ZINC000602976974 349842292 /nfs/dbraw/zinc/84/22/92/349842292.db2.gz VXEGJABSQKJYSE-IUCAKERBSA-N 1 0 238.291 0.195 20 30 BCEDRO C[C@@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOCCC#N ZINC000338961133 343692848 /nfs/dbraw/zinc/69/28/48/343692848.db2.gz OLXKELQUZFUDHK-GHMZBOCLSA-N 1 0 239.319 0.502 20 30 BCEDRO N#CCCOCC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000339142073 343694822 /nfs/dbraw/zinc/69/48/22/343694822.db2.gz RXZYZQQPSHEAKJ-WDEREUQCSA-N 1 0 228.292 0.046 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(C)[C@@H]1CCC[C@H]1C#N ZINC000602982746 349835342 /nfs/dbraw/zinc/83/53/42/349835342.db2.gz XOQARPXSLBNOOV-RWMBFGLXSA-N 1 0 239.363 0.923 20 30 BCEDRO CC#CCC[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000634711105 343701027 /nfs/dbraw/zinc/70/10/27/343701027.db2.gz JIWSIMUSNHYRHD-CHWSQXEVSA-N 1 0 225.332 0.901 20 30 BCEDRO C[C@H]1CO[C@@H](CO)C[N@@H+]1CCCCC#N ZINC000088092317 343704814 /nfs/dbraw/zinc/70/48/14/343704814.db2.gz KFCSHAYQKZSWDT-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO C[N@H+](C[C@H](O)Cn1cccn1)[C@@H]1CCC[C@@H]1C#N ZINC000602975994 349840598 /nfs/dbraw/zinc/84/05/98/349840598.db2.gz JNDGSFLCPQWPQF-FRRDWIJNSA-N 1 0 248.330 0.868 20 30 BCEDRO COC[C@@H](O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000602980290 349845400 /nfs/dbraw/zinc/84/54/00/349845400.db2.gz OGERUGOISBODGK-DCAQKATOSA-N 1 0 212.293 0.618 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC[NH+]1CCCC1 ZINC000054134189 537808902 /nfs/dbraw/zinc/80/89/02/537808902.db2.gz HCPKGPPWOAPXHA-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO N#CC1(C(=O)NCCCC[NH3+])CCCC1 ZINC000576475270 343751051 /nfs/dbraw/zinc/75/10/51/343751051.db2.gz ACMWZOULTHQKON-UHFFFAOYSA-N 1 0 209.293 0.925 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H](O)CC1(O)CCC1 ZINC000625450027 343777923 /nfs/dbraw/zinc/77/79/23/343777923.db2.gz UHEMCEAIAOGJLK-NSHDSACASA-N 1 0 211.305 0.608 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634723082 343764237 /nfs/dbraw/zinc/76/42/37/343764237.db2.gz ZQOZDXIPBUPWRE-WOPDTQHZSA-N 1 0 229.320 0.035 20 30 BCEDRO Cn1cc(C[NH2+][C@H]2CCCN(C)C2=O)cc1C#N ZINC000334191339 343833763 /nfs/dbraw/zinc/83/37/63/343833763.db2.gz OGHVHQAKSRYMNT-LBPRGKRZSA-N 1 0 246.314 0.607 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000603234362 349892589 /nfs/dbraw/zinc/89/25/89/349892589.db2.gz KSVMYPJXFDISCV-UWVGGRQHSA-N 1 0 238.291 0.834 20 30 BCEDRO C[C@H](NC(=O)CC#N)C1CC[NH+](C)CC1 ZINC000396444129 347007702 /nfs/dbraw/zinc/00/77/02/347007702.db2.gz AUIPKGHHIUALGO-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO N#CC1(Cn2cc(CCCC[NH3+])nn2)CC1 ZINC000603226883 349889729 /nfs/dbraw/zinc/88/97/29/349889729.db2.gz HGHAHRHHZWCICH-UHFFFAOYSA-N 1 0 219.292 0.863 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc([C@@H]([NH3+])CCC)nn1 ZINC000603232407 349892095 /nfs/dbraw/zinc/89/20/95/349892095.db2.gz DUGUECASINWUMC-WCBMZHEXSA-N 1 0 238.291 0.978 20 30 BCEDRO C[C@H](NC(=O)NCC[NH+]1CCC1)[C@H]1CCCO1 ZINC000328636763 537836061 /nfs/dbraw/zinc/83/60/61/537836061.db2.gz AKYCABCZBBYSQN-WDEREUQCSA-N 1 0 241.335 0.763 20 30 BCEDRO C=CCC[C@@H](O)Cn1cc(CCCC[NH3+])nn1 ZINC000641211844 362273816 /nfs/dbraw/zinc/27/38/16/362273816.db2.gz CSCKGQYPFPSZRQ-GFCCVEGCSA-N 1 0 238.335 0.887 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)CC1(CC#N)CC1 ZINC000234374202 343956949 /nfs/dbraw/zinc/95/69/49/343956949.db2.gz NKPXTTODCLYBRV-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](C[C@@H](O)COCCOC)C1 ZINC000625703807 344048319 /nfs/dbraw/zinc/04/83/19/344048319.db2.gz SSULMHNPCKOFBW-CHWSQXEVSA-N 1 0 243.347 0.908 20 30 BCEDRO C=CCCn1cc(CN2C[C@@H]3COC[C@@H]3C2)nn1 ZINC000634744856 344166579 /nfs/dbraw/zinc/16/65/79/344166579.db2.gz NHPORKZLLKREDG-TXEJJXNPSA-N 1 0 248.330 0.932 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C(C)(C)F ZINC000293858898 344248209 /nfs/dbraw/zinc/24/82/09/344248209.db2.gz AYBSCDMRXMZCAI-UHFFFAOYSA-N 1 0 214.284 0.806 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1cn(C)nc1C ZINC000293880006 344258832 /nfs/dbraw/zinc/25/88/32/344258832.db2.gz CQCHROXXVGJOOC-UHFFFAOYSA-N 1 0 248.330 0.413 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000600530540 344258945 /nfs/dbraw/zinc/25/89/45/344258945.db2.gz CTJUIMNPOOFUBZ-PWSUYJOCSA-N 1 0 239.319 0.109 20 30 BCEDRO C[C@H]1C[C@@H](NC(=O)CSCC#N)CC[N@@H+]1C ZINC000408222464 344260864 /nfs/dbraw/zinc/26/08/64/344260864.db2.gz AONXDXXDZHKIHY-UWVGGRQHSA-N 1 0 241.360 0.842 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1csnn1 ZINC000293947291 344279082 /nfs/dbraw/zinc/27/90/82/344279082.db2.gz JSQDZCWSXYULPG-UHFFFAOYSA-N 1 0 238.316 0.223 20 30 BCEDRO C[C@H]1COCC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000619426229 344332899 /nfs/dbraw/zinc/33/28/99/344332899.db2.gz IGMLWCOZFCECST-AAEUAGOBSA-N 1 0 237.347 0.989 20 30 BCEDRO CC[C@@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600737754 344366012 /nfs/dbraw/zinc/36/60/12/344366012.db2.gz INBKWNDNQJQPJV-VHSXEESVSA-N 1 0 212.293 0.402 20 30 BCEDRO C[C@H](O)CC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600738753 344366499 /nfs/dbraw/zinc/36/64/99/344366499.db2.gz MLLYNDYAARQLTC-VHSXEESVSA-N 1 0 212.293 0.402 20 30 BCEDRO CC(C)[C@H](O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600741690 344367337 /nfs/dbraw/zinc/36/73/37/344367337.db2.gz HEVVHDPNDHRXMU-GHMZBOCLSA-N 1 0 226.320 0.648 20 30 BCEDRO CC[C@H](O)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600743431 344367547 /nfs/dbraw/zinc/36/75/47/344367547.db2.gz MEWCEPHEHCUVRV-QWRGUYRKSA-N 1 0 226.320 0.792 20 30 BCEDRO COC[C@@H](CCO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600744005 344367854 /nfs/dbraw/zinc/36/78/54/344367854.db2.gz NAZIRDQSMJLBCR-MNOVXSKESA-N 1 0 242.319 0.028 20 30 BCEDRO C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)C(=O)N(C)C ZINC000600727097 344363608 /nfs/dbraw/zinc/36/36/08/344363608.db2.gz OLFHVZINFADFBK-VHSXEESVSA-N 1 0 239.319 0.107 20 30 BCEDRO C[C@@H](C#N)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600727696 344363642 /nfs/dbraw/zinc/36/36/42/344363642.db2.gz QHVQVMIJIJHIPM-UWVGGRQHSA-N 1 0 207.277 0.790 20 30 BCEDRO C[C@@H](C#N)CNC[C@H](O)C[NH+]1CCCC1 ZINC000600729061 344364167 /nfs/dbraw/zinc/36/41/67/344364167.db2.gz WKSNRWXYIKDURL-QWRGUYRKSA-N 1 0 211.309 0.192 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600749787 344368418 /nfs/dbraw/zinc/36/84/18/344368418.db2.gz RMMWOKOORMCVGQ-VXGBXAGGSA-N 1 0 238.331 0.815 20 30 BCEDRO C[C@@H](O)CCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600746890 344368697 /nfs/dbraw/zinc/36/86/97/344368697.db2.gz YKJPRFLPSIJYDU-GHMZBOCLSA-N 1 0 226.320 0.792 20 30 BCEDRO C/C=C/C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000600753469 344370499 /nfs/dbraw/zinc/37/04/99/344370499.db2.gz BCOZJCODJUOCBZ-PGLGOXFNSA-N 1 0 211.309 0.358 20 30 BCEDRO C[NH2+]C1(CNC(=O)C(C)(C)C#N)CCC1 ZINC000600825969 344381577 /nfs/dbraw/zinc/38/15/77/344381577.db2.gz WQTYFVPJDYSMIW-UHFFFAOYSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@@H](CC[NH+](C)C)Nc1ccnc(C#N)n1 ZINC000380732807 344434113 /nfs/dbraw/zinc/43/41/13/344434113.db2.gz QOYUACWCBPJJOG-VIFPVBQESA-N 1 0 219.292 0.522 20 30 BCEDRO N#Cc1cnc(N2C[C@@H]3C[C@H]2C[NH2+]3)c(F)c1 ZINC000600886081 344386213 /nfs/dbraw/zinc/38/62/13/344386213.db2.gz KSYCFLUQMHQMTA-IUCAKERBSA-N 1 0 218.235 0.643 20 30 BCEDRO CC[NH+](CC)[C@H]1CCN(C(=O)CC#N)C1 ZINC000041569423 344435013 /nfs/dbraw/zinc/43/50/13/344435013.db2.gz LBFQAPFAVQSVSE-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)CCCC ZINC000048614486 344402238 /nfs/dbraw/zinc/40/22/38/344402238.db2.gz MMEFJLWSOCLWAL-UHFFFAOYSA-N 1 0 227.308 0.730 20 30 BCEDRO C=CCC[C@@H](C)[NH2+][C@H]1CCN(S(C)(=O)=O)C1 ZINC000400265344 344453520 /nfs/dbraw/zinc/45/35/20/344453520.db2.gz UTGMUJJUWYYKLG-MNOVXSKESA-N 1 0 246.376 0.965 20 30 BCEDRO CC[NH+]1CCC(N(C)C(=O)CC#N)CC1 ZINC000042681504 344461855 /nfs/dbraw/zinc/46/18/55/344461855.db2.gz HLCPQRFKFPBWST-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2CCC(=O)NC2)o1 ZINC000135484930 344473561 /nfs/dbraw/zinc/47/35/61/344473561.db2.gz NKOAACJKPIRWQF-QMMMGPOBSA-N 1 0 219.244 0.519 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2CCC(=O)NC2)s1 ZINC000135499491 344484272 /nfs/dbraw/zinc/48/42/72/344484272.db2.gz XIGIMVFKSFOCGJ-QMMMGPOBSA-N 1 0 235.312 0.988 20 30 BCEDRO CC(C)(C)[NH2+]CCNc1ncncc1C#N ZINC000573838658 344530793 /nfs/dbraw/zinc/53/07/93/344530793.db2.gz AGOJYANJQJZTHB-UHFFFAOYSA-N 1 0 219.292 0.570 20 30 BCEDRO C[C@@H](C(=O)N[C@@H](C#N)C(C)(C)C)[NH+](C)C ZINC000085431533 344532246 /nfs/dbraw/zinc/53/22/46/344532246.db2.gz CGMWNUNTABRABI-IUCAKERBSA-N 1 0 211.309 0.991 20 30 BCEDRO CC[C@@H](C#N)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000044824035 344551218 /nfs/dbraw/zinc/55/12/18/344551218.db2.gz JEPNYOCMAZLNOY-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO N#CC1CC[NH+](CCCN2CCOCC2)CC1 ZINC000358498611 344561862 /nfs/dbraw/zinc/56/18/62/344561862.db2.gz LRFIKECRSSZTOL-UHFFFAOYSA-N 1 0 237.347 0.944 20 30 BCEDRO C[C@@H](C#N)C[N@H+](C)CC[C@@H]1CCNC1=O ZINC000395855348 344566301 /nfs/dbraw/zinc/56/63/01/344566301.db2.gz OSWIRTWJGORFOO-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@H](C)[NH3+] ZINC000641474839 362444160 /nfs/dbraw/zinc/44/41/60/362444160.db2.gz MRCCSLQQAMXJFL-VIFPVBQESA-N 1 0 215.297 0.178 20 30 BCEDRO CN(c1cc(C#N)ncn1)[C@@H](C[NH3+])C1CC1 ZINC000309453584 347065229 /nfs/dbraw/zinc/06/52/29/347065229.db2.gz RRAQRYRNQLVMCP-JTQLQIEISA-N 1 0 217.276 0.522 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCO[C@H](CCF)C1 ZINC000626004550 344666138 /nfs/dbraw/zinc/66/61/38/344666138.db2.gz JVNLWSKMMDTAFY-GHMZBOCLSA-N 1 0 217.284 0.984 20 30 BCEDRO N#CCCNC[C@@H](O)C[NH+]1CCCCC1 ZINC000564977279 344728090 /nfs/dbraw/zinc/72/80/90/344728090.db2.gz ZPJWXZFBHIUIAB-LLVKDONJSA-N 1 0 211.309 0.336 20 30 BCEDRO C=CCN1CCCC[C@@H]1c1nc(=O)[nH][nH]1 ZINC000289290242 344704725 /nfs/dbraw/zinc/70/47/25/344704725.db2.gz HDMDGPQJRQOYCQ-MRVPVSSYSA-N 1 0 208.265 0.811 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CCC(CCO)CC1 ZINC000400921744 344705640 /nfs/dbraw/zinc/70/56/40/344705640.db2.gz JYYZWJZCTANCSV-LLVKDONJSA-N 1 0 227.304 0.808 20 30 BCEDRO C[NH+]1CCC(C(=O)N2CC(C#N)C2)CC1 ZINC000260116109 344710351 /nfs/dbraw/zinc/71/03/51/344710351.db2.gz NWAQVBCCMMAVOT-UHFFFAOYSA-N 1 0 207.277 0.310 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1C[C@H](C)[C@H](C)C1 ZINC000076111638 344795876 /nfs/dbraw/zinc/79/58/76/344795876.db2.gz LYLIWLPXEIWMPQ-AOOOYVTPSA-N 1 0 239.319 0.586 20 30 BCEDRO CC(C)(C#N)C(=O)NCCNc1cc[nH+]cc1 ZINC000341866983 534972276 /nfs/dbraw/zinc/97/22/76/534972276.db2.gz HQCYUAPHRSVQLX-UHFFFAOYSA-N 1 0 232.287 0.581 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000583377278 344851386 /nfs/dbraw/zinc/85/13/86/344851386.db2.gz KXNSNQOPBHEJCW-VXGBXAGGSA-N 1 0 239.363 0.971 20 30 BCEDRO C#CC[N@@H+]1CCC[C@H](Cn2ccnn2)C1 ZINC000119325934 344845833 /nfs/dbraw/zinc/84/58/33/344845833.db2.gz QWAMAKVLYOIABO-NSHDSACASA-N 1 0 204.277 0.623 20 30 BCEDRO COC[C@H](O)C[NH2+]CC1CCC(C#N)CC1 ZINC000563003651 323079350 /nfs/dbraw/zinc/07/93/50/323079350.db2.gz VVZOVDFJWNHBAJ-HTAVTVPLSA-N 1 0 226.320 0.913 20 30 BCEDRO CC(C)COC[C@H](O)C[NH2+]CCCC#N ZINC000563012659 323079815 /nfs/dbraw/zinc/07/98/15/323079815.db2.gz BPAPGOBIZWQDOW-LLVKDONJSA-N 1 0 214.309 0.913 20 30 BCEDRO Cn1cc(-c2csc(NC(N)=[NH2+])n2)cn1 ZINC000153516286 344893904 /nfs/dbraw/zinc/89/39/04/344893904.db2.gz DTNLSZJRHYNKMO-UHFFFAOYSA-N 1 0 222.277 0.449 20 30 BCEDRO C#CC[N@@H+](CCC(=O)OC)C[C@H]1CCCO1 ZINC000113200376 323081053 /nfs/dbraw/zinc/08/10/53/323081053.db2.gz AIUBTRJJWHBUFU-LLVKDONJSA-N 1 0 225.288 0.664 20 30 BCEDRO C=CCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000079079163 344936422 /nfs/dbraw/zinc/93/64/22/344936422.db2.gz ACLCYYJKBXQNTP-SNVBAGLBSA-N 1 0 223.320 0.956 20 30 BCEDRO C=CCOCCCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000238054732 344953966 /nfs/dbraw/zinc/95/39/66/344953966.db2.gz ABTNYJCCEWZXKB-LLVKDONJSA-N 1 0 226.320 0.823 20 30 BCEDRO C#CCNC(NCCc1csc(C)n1)=[NH+]C ZINC000079347675 344958349 /nfs/dbraw/zinc/95/83/49/344958349.db2.gz YFVMLTOUROZSFE-UHFFFAOYSA-N 1 0 236.344 0.792 20 30 BCEDRO C=CCOCCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634985815 345165385 /nfs/dbraw/zinc/16/53/85/345165385.db2.gz DHBNYXPOETVVKU-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCSCCNC(=O)C(C)(C)[NH3+] ZINC000225405920 345148588 /nfs/dbraw/zinc/14/85/88/345148588.db2.gz OBTKGGIYAVFOOP-UHFFFAOYSA-N 1 0 202.323 0.759 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634975095 345150654 /nfs/dbraw/zinc/15/06/54/345150654.db2.gz RBPMBUJYTHAWCW-QWRGUYRKSA-N 1 0 226.320 0.429 20 30 BCEDRO CC#CCN1CC[C@H](S(C)(=O)=O)C1 ZINC000306293713 345155212 /nfs/dbraw/zinc/15/52/12/345155212.db2.gz VDNZOWQTFRWBTP-VIFPVBQESA-N 1 0 201.291 0.129 20 30 BCEDRO C#C[C@H](NC[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000381280423 345227272 /nfs/dbraw/zinc/22/72/72/345227272.db2.gz XZPCLFHMMGAGCZ-OLZOCXBDSA-N 1 0 224.348 0.689 20 30 BCEDRO C=CCNC(=O)C(C)(C)C[NH+]1CCOCC1 ZINC000635069475 345239598 /nfs/dbraw/zinc/23/95/98/345239598.db2.gz MWWZWRICKGOXAN-UHFFFAOYSA-N 1 0 226.320 0.647 20 30 BCEDRO C[NH+]=C(NCCn1cc(C)cn1)N[C@H]1C[C@@H]1C ZINC000132115698 345317002 /nfs/dbraw/zinc/31/70/02/345317002.db2.gz ZZTYRUIXYXBMOG-QWRGUYRKSA-N 1 0 235.335 0.765 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](COC)OC ZINC000272653886 133543780 /nfs/dbraw/zinc/54/37/80/133543780.db2.gz QSIGDALOTKRWEL-VIFPVBQESA-N 1 0 215.297 0.128 20 30 BCEDRO COc1ccc(NC(=[NH2+])NC[C@H](C)O)cc1 ZINC000132360581 345328608 /nfs/dbraw/zinc/32/86/08/345328608.db2.gz IOJIDRGKPMFHFJ-QMMMGPOBSA-N 1 0 223.276 0.803 20 30 BCEDRO COc1ccccc1CNC(=[NH2+])NC[C@H](C)O ZINC000132368236 345328903 /nfs/dbraw/zinc/32/89/03/345328903.db2.gz SFIUHLFJMORKCF-VIFPVBQESA-N 1 0 237.303 0.480 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000418882771 192088202 /nfs/dbraw/zinc/08/82/02/192088202.db2.gz ASRMXUCEFOFCGW-SNVBAGLBSA-N 1 0 239.319 0.019 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)NC[C@@H](C)[NH2+]CC ZINC000418885135 192088250 /nfs/dbraw/zinc/08/82/50/192088250.db2.gz HLRZDGSUTBFDAU-SNVBAGLBSA-N 1 0 241.335 0.183 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3cnccc3C#N)C[C@@H]21 ZINC000091741755 345604853 /nfs/dbraw/zinc/60/48/53/345604853.db2.gz LPYRPAKPCJNLNY-QWHCGFSZSA-N 1 0 244.298 0.472 20 30 BCEDRO C[NH+]1CCN(CCNc2cc(C#N)ncn2)CC1 ZINC000310763587 259384650 /nfs/dbraw/zinc/38/46/50/259384650.db2.gz LAMZPTXRGKBSCV-UHFFFAOYSA-N 1 0 246.318 0.008 20 30 BCEDRO CN1CC[NH2+]C[C@H]1CNc1ccc(C#N)cc1 ZINC000222612633 345748688 /nfs/dbraw/zinc/74/86/88/345748688.db2.gz BGEMZPYNCFHYSZ-ZDUSSCGKSA-N 1 0 230.315 0.874 20 30 BCEDRO C#C[C@H](C)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000166435904 166216620 /nfs/dbraw/zinc/21/66/20/166216620.db2.gz BVDPXGYGYGSAAO-JTQLQIEISA-N 1 0 223.320 0.744 20 30 BCEDRO C=CCCOCC(=O)NCC[N@@H+](C)C1CC1 ZINC000138799895 345806805 /nfs/dbraw/zinc/80/68/05/345806805.db2.gz SHFCVNHRKOOHSV-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO N#Cc1ccc(OC[C@@H]2C[NH2+]CCO2)cc1 ZINC000070649773 345794535 /nfs/dbraw/zinc/79/45/35/345794535.db2.gz DOVWPWFTPYNQTG-LBPRGKRZSA-N 1 0 218.256 0.925 20 30 BCEDRO C#CCNC(=O)C1([NH+]2CCN(C)CC2)CCCC1 ZINC000363580673 345800006 /nfs/dbraw/zinc/80/00/06/345800006.db2.gz APEASIZTZAEZEA-UHFFFAOYSA-N 1 0 249.358 0.296 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000588977165 345837836 /nfs/dbraw/zinc/83/78/36/345837836.db2.gz GSOHJJDPXMIRON-SNVBAGLBSA-N 1 0 241.360 0.831 20 30 BCEDRO CN(CCC#N)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601013619 345994204 /nfs/dbraw/zinc/99/42/04/345994204.db2.gz HRHMUVKSANJIAA-UHFFFAOYSA-N 1 0 249.318 0.430 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000563221021 323104569 /nfs/dbraw/zinc/10/45/69/323104569.db2.gz QLDPUZZABBKWQK-NWDGAFQWSA-N 1 0 223.320 0.695 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635764713 346057355 /nfs/dbraw/zinc/05/73/55/346057355.db2.gz AUFOADIZAWXMGU-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@@H](C)[NH+](C)C ZINC000635767763 346058331 /nfs/dbraw/zinc/05/83/31/346058331.db2.gz XZYDIFMDYZREGD-ZJUUUORDSA-N 1 0 214.309 0.237 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@@H](C)[NH+](C)C ZINC000635847220 346088946 /nfs/dbraw/zinc/08/89/46/346088946.db2.gz UEMXHQNEGWVQGE-SNVBAGLBSA-N 1 0 214.309 0.598 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000636005076 346147775 /nfs/dbraw/zinc/14/77/75/346147775.db2.gz BEZCOZVPXGJWRM-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCCCNC(=O)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000419042207 192098039 /nfs/dbraw/zinc/09/80/39/192098039.db2.gz LELOPPKDIQGSPA-SNVBAGLBSA-N 1 0 239.319 0.019 20 30 BCEDRO C=CCCCNC(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419044260 192098361 /nfs/dbraw/zinc/09/83/61/192098361.db2.gz PKBOKJYPDRNNJP-JTQLQIEISA-N 1 0 241.335 0.168 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1nccnc1OC ZINC000641753096 362678114 /nfs/dbraw/zinc/67/81/14/362678114.db2.gz ZMZKJTWKCSCBMA-SECBINFHSA-N 1 0 223.276 0.512 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cnnn1CC ZINC000641752932 362678618 /nfs/dbraw/zinc/67/86/18/362678618.db2.gz UAERIOCAXVYFCD-VIFPVBQESA-N 1 0 210.281 0.325 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636116117 346323614 /nfs/dbraw/zinc/32/36/14/346323614.db2.gz NFOZLMQLLQDJCY-CWSCBRNRSA-N 1 0 240.347 0.768 20 30 BCEDRO CC[C@@H]1[C@@H](C(=O)NC[C@@H](C)C#N)CC[N@@H+]1C ZINC000601141055 346349214 /nfs/dbraw/zinc/34/92/14/346349214.db2.gz GWVHIZFCXXNSRB-GARJFASQSA-N 1 0 223.320 0.993 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000641771739 362710380 /nfs/dbraw/zinc/71/03/80/362710380.db2.gz CBBSORFBIXWWAE-SECBINFHSA-N 1 0 233.271 0.905 20 30 BCEDRO C#CCNC(=[NH+]C)N(C)C[C@@H]1CCOC1 ZINC000155963946 346357139 /nfs/dbraw/zinc/35/71/39/346357139.db2.gz ONHSDWGONHXDTQ-JTQLQIEISA-N 1 0 209.293 0.163 20 30 BCEDRO C[C@@H](C#N)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601142303 346358775 /nfs/dbraw/zinc/35/87/75/346358775.db2.gz XQWYEYOBJLSIND-JTQLQIEISA-N 1 0 249.318 0.334 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]CC1(OC)CCOCC1 ZINC000641767080 362700222 /nfs/dbraw/zinc/70/02/22/362700222.db2.gz GNDAQIYNORKKLJ-LBPRGKRZSA-N 1 0 241.331 0.546 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCO[C@@H](C)C1 ZINC000641767099 362700518 /nfs/dbraw/zinc/70/05/18/362700518.db2.gz GTEVVIKOITUOEP-QJPTWQEYSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccnn1CC ZINC000641767266 362700825 /nfs/dbraw/zinc/70/08/25/362700825.db2.gz HZKKXYCNNAYGIR-NSHDSACASA-N 1 0 221.304 0.767 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cnc(CC)nc1 ZINC000641767512 362702474 /nfs/dbraw/zinc/70/24/74/362702474.db2.gz LLZOUIAFHQUXKS-LBPRGKRZSA-N 1 0 233.315 0.903 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cnc2cnccn12 ZINC000641767616 362702829 /nfs/dbraw/zinc/70/28/29/362702829.db2.gz MSSNSAIVYNDVSO-LLVKDONJSA-N 1 0 244.298 0.593 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)C(=O)NC[C@H](C)[NH2+]C ZINC000419136441 192101813 /nfs/dbraw/zinc/10/18/13/192101813.db2.gz NMLDHWLEQBKODI-VHSXEESVSA-N 1 0 241.335 0.181 20 30 BCEDRO C=CCNC(=O)[C@H](C)N[C@@H]1C[C@H]([NH3+])C1(C)C ZINC000641802699 362762608 /nfs/dbraw/zinc/76/26/08/362762608.db2.gz ARFJACLYLVOCAW-LPEHRKFASA-N 1 0 225.336 0.393 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCCS(=O)(=O)N(C)C ZINC000577121618 365825993 /nfs/dbraw/zinc/82/59/93/365825993.db2.gz GQPLXVRATUHJQF-SNVBAGLBSA-N 1 0 247.364 0.550 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@H]2CCC[C@@H]21 ZINC000491122077 346587380 /nfs/dbraw/zinc/58/73/80/346587380.db2.gz SXWNFICGSMOFTP-RYUDHWBXSA-N 1 0 236.315 0.379 20 30 BCEDRO C[NH+](C)C1CCN(c2cncc(C#N)n2)CC1 ZINC000401335498 346606188 /nfs/dbraw/zinc/60/61/88/346606188.db2.gz OYEMJTRNDPMLSG-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[C@H]([NH+](C)C)C1 ZINC000330892162 133633690 /nfs/dbraw/zinc/63/36/90/133633690.db2.gz DAFKUQQYFHMYHD-MDZLAQPJSA-N 1 0 240.347 0.912 20 30 BCEDRO C[C@H](CNC(=O)c1cc(O)cc(C#N)c1)[NH+](C)C ZINC000589168389 346671573 /nfs/dbraw/zinc/67/15/73/346671573.db2.gz AQKAKQDEYSEALX-SECBINFHSA-N 1 0 247.298 0.944 20 30 BCEDRO C=CCn1cc(C[NH2+]CC2(O)CCC2)nn1 ZINC000580183615 346628506 /nfs/dbraw/zinc/62/85/06/346628506.db2.gz KMOOAZWILROCDS-UHFFFAOYSA-N 1 0 222.292 0.469 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)c2cccc(C#N)n2)CC1 ZINC000589610584 346719883 /nfs/dbraw/zinc/71/98/83/346719883.db2.gz GFUVRFVLMNZJAP-UHFFFAOYSA-N 1 0 244.298 0.731 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C(C)(C)c1c[nH]cn1 ZINC000621991265 370647849 /nfs/dbraw/zinc/64/78/49/370647849.db2.gz MFEFDDNIEXRACM-VIFPVBQESA-N 1 0 237.303 0.741 20 30 BCEDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)COc1ccc(C#N)cc1 ZINC000580655376 365850824 /nfs/dbraw/zinc/85/08/24/365850824.db2.gz UWBCJULRRUDEOY-NXEZZACHSA-N 1 0 247.298 0.789 20 30 BCEDRO CCc1nc(C#N)cc(N2CC[NH2+][C@@H](C)C2)n1 ZINC000308241563 346764656 /nfs/dbraw/zinc/76/46/56/346764656.db2.gz JVRCGLMTSNEZHH-VIFPVBQESA-N 1 0 231.303 0.709 20 30 BCEDRO CCc1nc(C#N)cc(N2CC[NH2+][C@H](C)C2)n1 ZINC000308241562 346764779 /nfs/dbraw/zinc/76/47/79/346764779.db2.gz JVRCGLMTSNEZHH-SECBINFHSA-N 1 0 231.303 0.709 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)CSCC#N)[C@@H]2C1 ZINC000590043518 346766312 /nfs/dbraw/zinc/76/63/12/346766312.db2.gz BDCXCJKOTDUUJM-VHSXEESVSA-N 1 0 239.344 0.406 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@@H]2C1 ZINC000590046996 346767556 /nfs/dbraw/zinc/76/75/56/346767556.db2.gz RVCSPOILAQYRKV-BXKDBHETSA-N 1 0 244.298 0.662 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000589821970 346739632 /nfs/dbraw/zinc/73/96/32/346739632.db2.gz DZMOJLLHHAHVBB-DCAQKATOSA-N 1 0 212.293 0.354 20 30 BCEDRO N#CCCOCC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000590174955 346787979 /nfs/dbraw/zinc/78/79/79/346787979.db2.gz URYINNXGQAOULE-NSHDSACASA-N 1 0 235.291 0.455 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)C3(C#N)CCC3)[C@@H]2C1 ZINC000590440734 347114200 /nfs/dbraw/zinc/11/42/00/347114200.db2.gz BGRQSEWZXPBRRW-GHMZBOCLSA-N 1 0 233.315 0.843 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)CC3(C#N)CC3)[C@H]2C1 ZINC000590444170 347118090 /nfs/dbraw/zinc/11/80/90/347118090.db2.gz LSRNWIUXFRIZPG-MNOVXSKESA-N 1 0 233.315 0.843 20 30 BCEDRO C[C@H](C#N)C(=O)NCCNc1cc[nH+]cc1 ZINC000309699555 347135262 /nfs/dbraw/zinc/13/52/62/347135262.db2.gz SHYADWRBULHZDS-SECBINFHSA-N 1 0 218.260 0.769 20 30 BCEDRO C=CCOCCC[NH2+][C@H]1CCC(=O)N[C@@H]1C ZINC000309762039 347155824 /nfs/dbraw/zinc/15/58/24/347155824.db2.gz IWLJBYWZVISXMI-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO CNS(=O)(=O)CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000601299152 347175037 /nfs/dbraw/zinc/17/50/37/347175037.db2.gz JCYJNIPPRJDCBN-UWVGGRQHSA-N 1 0 245.348 0.208 20 30 BCEDRO CNS(=O)(=O)CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000601299151 347175181 /nfs/dbraw/zinc/17/51/81/347175181.db2.gz JCYJNIPPRJDCBN-NXEZZACHSA-N 1 0 245.348 0.208 20 30 BCEDRO C[C@@H](C#N)CNS(=O)(=O)CCC[NH+](C)C ZINC000601360141 347262078 /nfs/dbraw/zinc/26/20/78/347262078.db2.gz VLVCHKKHAALLHF-VIFPVBQESA-N 1 0 233.337 0.017 20 30 BCEDRO C[C@@H]1CN(CCCC#N)CC[N@@H+]1CCO ZINC000187716079 347263305 /nfs/dbraw/zinc/26/33/05/347263305.db2.gz MMOAZQKSMCKUQQ-LLVKDONJSA-N 1 0 211.309 0.289 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](CO)C1 ZINC000190907355 347337932 /nfs/dbraw/zinc/33/79/32/347337932.db2.gz LEKSHMYKOWMICT-GRYCIOLGSA-N 1 0 213.321 0.874 20 30 BCEDRO C[NH2+]CCSCC(=O)N[C@](C)(C#N)C(C)C ZINC000382644073 347382028 /nfs/dbraw/zinc/38/20/28/347382028.db2.gz HJYWQGXJKKAXTE-LLVKDONJSA-N 1 0 243.376 0.993 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000616235620 347431111 /nfs/dbraw/zinc/43/11/11/347431111.db2.gz PGNXZDDJYHDYIR-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO CCCN(CC#N)CCCC(=O)NC(N)=O ZINC000194972546 347437115 /nfs/dbraw/zinc/43/71/15/347437115.db2.gz VLXKWVMIHOGJPV-UHFFFAOYSA-N 1 0 226.280 0.197 20 30 BCEDRO CCN(Cc1ccccc1)C(=O)CNC(=[NH2+])NC ZINC000195522846 347457414 /nfs/dbraw/zinc/45/74/14/347457414.db2.gz OJNPMOMDLNODMV-UHFFFAOYSA-N 1 0 248.330 0.569 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 ZINC000380103419 365880819 /nfs/dbraw/zinc/88/08/19/365880819.db2.gz XWPUHCGAKPWGPE-WDEREUQCSA-N 1 0 238.331 0.217 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000617004854 347575997 /nfs/dbraw/zinc/57/59/97/347575997.db2.gz ZGKDVIROBQBBFM-MFKMUULPSA-N 1 0 240.347 0.912 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)NCc1ccc(C#N)cc1 ZINC000591352696 347643481 /nfs/dbraw/zinc/64/34/81/347643481.db2.gz RVQGQVNUBNNXRI-VIFPVBQESA-N 1 0 232.287 0.705 20 30 BCEDRO N#C[C@@]1(F)CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000591359452 347645389 /nfs/dbraw/zinc/64/53/89/347645389.db2.gz GQMVPECJPSNTKR-ONGXEEELSA-N 1 0 240.282 0.386 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000591359978 347645493 /nfs/dbraw/zinc/64/54/93/347645493.db2.gz SALMXSSWNUSCRP-JQWIXIFHSA-N 1 0 238.335 0.916 20 30 BCEDRO CC(C)(CC#N)CNC(=O)NCC[NH2+]C1CC1 ZINC000591358467 347645502 /nfs/dbraw/zinc/64/55/02/347645502.db2.gz AFJOIOAFNXGTKH-UHFFFAOYSA-N 1 0 238.335 0.977 20 30 BCEDRO N#C[C@]1(F)CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000591359501 347645508 /nfs/dbraw/zinc/64/55/08/347645508.db2.gz BKEZFHDYUQSSLX-GXSJLCMTSA-N 1 0 240.282 0.386 20 30 BCEDRO N#C[C@@]1(C(=O)N2C[C@@H]3CCC[C@@H]3C2)CC[NH2+]C1 ZINC000591615706 347679523 /nfs/dbraw/zinc/67/95/23/347679523.db2.gz SRRFBZAIOQSLNO-LOWVWBTDSA-N 1 0 233.315 0.748 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2C[C@H]3C[NH2+]C[C@H]3C2)C1 ZINC000591692097 347690091 /nfs/dbraw/zinc/69/00/91/347690091.db2.gz UYZHJBBDCDZNAM-NNYUYHANSA-N 1 0 248.330 0.539 20 30 BCEDRO CC(C)(C#N)C[NH2+]C[C@@H](O)Cn1cccn1 ZINC000591758954 347692108 /nfs/dbraw/zinc/69/21/08/347692108.db2.gz CAFOIFFRRTVBTG-SNVBAGLBSA-N 1 0 222.292 0.383 20 30 BCEDRO CSC[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759674 347692542 /nfs/dbraw/zinc/69/25/42/347692542.db2.gz SWQNPQUQVPUAFZ-QMMMGPOBSA-N 1 0 202.323 0.850 20 30 BCEDRO CCOC(=O)CC[C@@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759617 347692573 /nfs/dbraw/zinc/69/25/73/347692573.db2.gz PZQNTHVBSAONQS-SNVBAGLBSA-N 1 0 242.319 0.830 20 30 BCEDRO CSC[C@@H](O)C[NH2+]C1CCN(CC#N)CC1 ZINC000591736904 347694903 /nfs/dbraw/zinc/69/49/03/347694903.db2.gz YBDVVSFNMKAFGX-NSHDSACASA-N 1 0 243.376 0.288 20 30 BCEDRO CC(C)[C@@H](C#N)N1CC[NH+](CC[C@H](C)O)CC1 ZINC000591845737 347706284 /nfs/dbraw/zinc/70/62/84/347706284.db2.gz SNOMPFRBYOVCHI-QWHCGFSZSA-N 1 0 239.363 0.923 20 30 BCEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1cncc(C#N)n1 ZINC000591460070 347665673 /nfs/dbraw/zinc/66/56/73/347665673.db2.gz LLJCFQCXBUOKHI-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@@H](Nc1cncc(C#N)n1)[C@H]1CN(C)CCO1 ZINC000591460872 347665838 /nfs/dbraw/zinc/66/58/38/347665838.db2.gz CYDURGFEEVQOHH-MWLCHTKSSA-N 1 0 247.302 0.479 20 30 BCEDRO N#CCCNC[C@H]1CCCC[N@H+]1CCO ZINC000592431591 347778369 /nfs/dbraw/zinc/77/83/69/347778369.db2.gz LRDZTRXTTDKMPO-LLVKDONJSA-N 1 0 211.309 0.336 20 30 BCEDRO N#Cc1cnccc1CN1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000592062975 347726051 /nfs/dbraw/zinc/72/60/51/347726051.db2.gz OVKDBQLPDZFRAU-STQMWFEESA-N 1 0 228.299 0.604 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000592129368 347739226 /nfs/dbraw/zinc/73/92/26/347739226.db2.gz AHXQFWHANUTRNO-MXWKQRLJSA-N 1 0 227.304 0.664 20 30 BCEDRO CC[C@H](C)NC(=O)CN1CC[C@](O)(CC#N)C1 ZINC000592147420 347740108 /nfs/dbraw/zinc/74/01/08/347740108.db2.gz LOZRLFZBBFZAGO-CMPLNLGQSA-N 1 0 239.319 0.252 20 30 BCEDRO Cc1nccn1CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150798 347741610 /nfs/dbraw/zinc/74/16/10/347741610.db2.gz GRKANOUMADXJQS-GFCCVEGCSA-N 1 0 234.303 0.542 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150731 347741840 /nfs/dbraw/zinc/74/18/40/347741840.db2.gz IBPAABVSFFYUBY-RYUDHWBXSA-N 1 0 224.304 0.664 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592150610 347742118 /nfs/dbraw/zinc/74/21/18/347742118.db2.gz FBUOESLIQKJQQT-GHMZBOCLSA-N 1 0 210.277 0.274 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CCOCC2CC2)C1 ZINC000592152187 347743067 /nfs/dbraw/zinc/74/30/67/347743067.db2.gz VJTZNJFINXEPHE-LBPRGKRZSA-N 1 0 224.304 0.763 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000592152845 347743899 /nfs/dbraw/zinc/74/38/99/347743899.db2.gz FORRRWFHUWMLED-RYUDHWBXSA-N 1 0 224.304 0.763 20 30 BCEDRO CC(C)[C@@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592154569 347744414 /nfs/dbraw/zinc/74/44/14/347744414.db2.gz UEPAPYFGGPFLEH-WDEREUQCSA-N 1 0 212.293 0.354 20 30 BCEDRO CCOC(=O)c1cnn(C[C@@H]2CC[NH2+]C2)c1C#N ZINC000592163670 347745893 /nfs/dbraw/zinc/74/58/93/347745893.db2.gz FYETVFMYEAUWIC-SECBINFHSA-N 1 0 248.286 0.541 20 30 BCEDRO CCOC(=O)c1cnn(CCC[NH3+])c1C#N ZINC000592166393 347746572 /nfs/dbraw/zinc/74/65/72/347746572.db2.gz YYPOBGFNJKWMHC-UHFFFAOYSA-N 1 0 222.248 0.280 20 30 BCEDRO Cc1ccn(C[C@H]2CC[NH2+]C2)c(=O)c1C#N ZINC000592167710 347746672 /nfs/dbraw/zinc/74/66/72/347746672.db2.gz NPWSVJFRNLTUFT-JTQLQIEISA-N 1 0 217.272 0.638 20 30 BCEDRO C=CCCC[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000592193490 347748847 /nfs/dbraw/zinc/74/88/47/347748847.db2.gz ANYVGSBIEFTMBD-WDEREUQCSA-N 1 0 227.304 0.808 20 30 BCEDRO C=CCCC[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592193488 347749079 /nfs/dbraw/zinc/74/90/79/347749079.db2.gz ANYVGSBIEFTMBD-MNOVXSKESA-N 1 0 227.304 0.808 20 30 BCEDRO C=C(C)CC[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592207012 347757281 /nfs/dbraw/zinc/75/72/81/347757281.db2.gz NUAKMDCZDHRRJF-MNOVXSKESA-N 1 0 227.304 0.808 20 30 BCEDRO CC#CCC[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592209173 347757727 /nfs/dbraw/zinc/75/77/27/347757727.db2.gz VODZHPHKOIGAMT-QWRGUYRKSA-N 1 0 225.288 0.256 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592762251 347815373 /nfs/dbraw/zinc/81/53/73/347815373.db2.gz HUEUCVGIMJGCCC-GMTAPVOTSA-N 1 0 223.320 0.991 20 30 BCEDRO N#CCC[C@H](C#N)C[NH2+]CC1(CO)CC1 ZINC000592430470 347785816 /nfs/dbraw/zinc/78/58/16/347785816.db2.gz RXNNRGPIHJGFJB-SNVBAGLBSA-N 1 0 207.277 0.792 20 30 BCEDRO C[C@@H]1CN(Cc2ccncc2C#N)C[C@H]1[NH3+] ZINC000592493915 347787680 /nfs/dbraw/zinc/78/76/80/347787680.db2.gz KBBBUSZWKOPOMD-BXKDBHETSA-N 1 0 216.288 0.732 20 30 BCEDRO N#Cc1cnccc1CN1CCCO[C@@H](C[NH3+])C1 ZINC000592495851 347788378 /nfs/dbraw/zinc/78/83/78/347788378.db2.gz SMOPNXKTEDWHIB-ZDUSSCGKSA-N 1 0 246.314 0.503 20 30 BCEDRO C[NH2+][C@H]1CCN(Cc2ccncc2C#N)C1 ZINC000592470762 347789507 /nfs/dbraw/zinc/78/95/07/347789507.db2.gz ORBSKIDVKPMUOQ-LBPRGKRZSA-N 1 0 216.288 0.747 20 30 BCEDRO C[C@H]1C[NH2+]CCN1Cc1ccncc1C#N ZINC000592470920 347790051 /nfs/dbraw/zinc/79/00/51/347790051.db2.gz UJDDFXXNQDKRQF-JTQLQIEISA-N 1 0 216.288 0.747 20 30 BCEDRO C[C@H]1CN(Cc2ccncc2C#N)CC[NH2+]1 ZINC000592473454 347790492 /nfs/dbraw/zinc/79/04/92/347790492.db2.gz OOMASQWRGKHNBM-JTQLQIEISA-N 1 0 216.288 0.747 20 30 BCEDRO C[C@H](C[NH3+])N(C)Cc1ccncc1C#N ZINC000592473411 347790505 /nfs/dbraw/zinc/79/05/05/347790505.db2.gz IGFHUSZPCOZDNM-SECBINFHSA-N 1 0 204.277 0.732 20 30 BCEDRO C[C@@H](C[NH3+])N(C)Cc1ccncc1C#N ZINC000592473412 347790662 /nfs/dbraw/zinc/79/06/62/347790662.db2.gz IGFHUSZPCOZDNM-VIFPVBQESA-N 1 0 204.277 0.732 20 30 BCEDRO C[C@H](CF)[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000592513397 347792737 /nfs/dbraw/zinc/79/27/37/347792737.db2.gz AFWNOEMUFJYECX-RKDXNWHRSA-N 1 0 237.282 0.744 20 30 BCEDRO C[C@@H](CCC#N)[NH2+][C@@H](CO)c1ccnn1C ZINC000593033098 347842645 /nfs/dbraw/zinc/84/26/45/347842645.db2.gz ILHZGXZKDOZNIY-UWVGGRQHSA-N 1 0 222.292 0.735 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@@H](C)C[NH3+] ZINC000237357805 166273497 /nfs/dbraw/zinc/27/34/97/166273497.db2.gz VPEABRNIUXYBRB-UWVGGRQHSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000137401421 166274659 /nfs/dbraw/zinc/27/46/59/166274659.db2.gz VWUMOLSAWPOFEG-MWLCHTKSSA-N 1 0 226.320 0.821 20 30 BCEDRO Cn1cncc1CCNc1ncncc1C#N ZINC000401777712 347832454 /nfs/dbraw/zinc/83/24/54/347832454.db2.gz OIHZDILPNRTOKB-UHFFFAOYSA-N 1 0 228.259 0.158 20 30 BCEDRO CC[N@H+](CC(=O)NCC#N)[C@@H](C)C(C)C ZINC000066664808 347860670 /nfs/dbraw/zinc/86/06/70/347860670.db2.gz SCONGLVOWRWMHM-JTQLQIEISA-N 1 0 211.309 0.993 20 30 BCEDRO N#Cc1cccc2c1CN([C@@H]1CCNC1=O)C2 ZINC000593119617 347862330 /nfs/dbraw/zinc/86/23/30/347862330.db2.gz CQEOPYBREBFOBC-GFCCVEGCSA-N 1 0 227.267 0.762 20 30 BCEDRO CC[C@H](C#N)C(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000593444178 347892174 /nfs/dbraw/zinc/89/21/74/347892174.db2.gz SHQAOCXCDGFSMO-SNVBAGLBSA-N 1 0 249.318 0.933 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000593415781 347893646 /nfs/dbraw/zinc/89/36/46/347893646.db2.gz VNSCFYWTOQSHLF-MWLCHTKSSA-N 1 0 223.320 0.993 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000593415780 347893744 /nfs/dbraw/zinc/89/37/44/347893744.db2.gz VNSCFYWTOQSHLF-KOLCDFICSA-N 1 0 223.320 0.993 20 30 BCEDRO CC[C@H](C#N)C(=O)N(CCOC)CC[NH+](C)C ZINC000593449856 347897884 /nfs/dbraw/zinc/89/78/84/347897884.db2.gz AISDJZRILCLHHT-LLVKDONJSA-N 1 0 241.335 0.573 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@H](CO)CCF)o1 ZINC000593689271 347927794 /nfs/dbraw/zinc/92/77/94/347927794.db2.gz NLDMJGKFQHBHKA-MRVPVSSYSA-N 1 0 212.224 0.961 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000593721615 347937125 /nfs/dbraw/zinc/93/71/25/347937125.db2.gz QYQMBANCHOZVLO-OUAUKWLOSA-N 1 0 221.304 0.699 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC[N@H+](C)CCCOC ZINC000593486218 347904649 /nfs/dbraw/zinc/90/46/49/347904649.db2.gz QGBYFNYOQDMUSD-NSHDSACASA-N 1 0 241.335 0.621 20 30 BCEDRO CC(C)[C@@H](C(=O)NC[C@H](C)C#N)[NH+](C)C ZINC000532050393 323169959 /nfs/dbraw/zinc/16/99/59/323169959.db2.gz JHVHAYXGTYHQML-ZJUUUORDSA-N 1 0 211.309 0.848 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000593499465 347906658 /nfs/dbraw/zinc/90/66/58/347906658.db2.gz SFOGGTCMQFLWPG-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000593502360 347907323 /nfs/dbraw/zinc/90/73/23/347907323.db2.gz QDEMFBNSQYWCLI-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)o1 ZINC000593670542 347925126 /nfs/dbraw/zinc/92/51/26/347925126.db2.gz SSRCBRQOAJMOFW-OCAPTIKFSA-N 1 0 219.244 0.505 20 30 BCEDRO C[C@H](Oc1ccccc1C#N)C(=O)NCC[NH3+] ZINC000593900795 347966540 /nfs/dbraw/zinc/96/65/40/347966540.db2.gz VQUDXHOIWJUMKC-VIFPVBQESA-N 1 0 233.271 0.400 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]2CCC[NH2+]2)CCCC1 ZINC000593904134 347968017 /nfs/dbraw/zinc/96/80/17/347968017.db2.gz MFVWBTCJMAXDJK-JTQLQIEISA-N 1 0 221.304 0.939 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@H](C[NH3+])C2)CCCC1 ZINC000593904095 347968070 /nfs/dbraw/zinc/96/80/70/347968070.db2.gz JKOLGYNCRWBKKZ-JTQLQIEISA-N 1 0 221.304 0.878 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCCC1 ZINC000593906252 347968711 /nfs/dbraw/zinc/96/87/11/347968711.db2.gz IGDKIZMQPHJGDH-UWVGGRQHSA-N 1 0 239.294 0.887 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)c1cccc(CC#N)c1 ZINC000593905626 347968719 /nfs/dbraw/zinc/96/87/19/347968719.db2.gz ZFGCYZAJVYLIJP-SECBINFHSA-N 1 0 217.272 0.830 20 30 BCEDRO C[C@@H](CCC#N)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594026070 347992151 /nfs/dbraw/zinc/99/21/51/347992151.db2.gz ZLLDAQHLMMMUJO-SDDRHHMPSA-N 1 0 223.320 0.429 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@@](F)(C#N)C2)C1 ZINC000594342879 348036764 /nfs/dbraw/zinc/03/67/64/348036764.db2.gz MKXUKAPMRAZNKY-ZYHUDNBSSA-N 1 0 239.294 0.792 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N2CC[C@](F)(C#N)C2)C1 ZINC000594342878 348036915 /nfs/dbraw/zinc/03/69/15/348036915.db2.gz MKXUKAPMRAZNKY-PWSUYJOCSA-N 1 0 239.294 0.792 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)NCC1(CO)CC1 ZINC000594434254 348045600 /nfs/dbraw/zinc/04/56/00/348045600.db2.gz LYTTWMVWHDSZFE-JTQLQIEISA-N 1 0 239.319 0.286 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCO1 ZINC000594426142 348052072 /nfs/dbraw/zinc/05/20/72/348052072.db2.gz NNRWLUXXDDJSHH-WDEREUQCSA-N 1 0 239.319 0.693 20 30 BCEDRO COC(=O)[C@@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594426241 348052253 /nfs/dbraw/zinc/05/22/53/348052253.db2.gz DMKMAMLOHHLZKK-RKDXNWHRSA-N 1 0 241.291 0.075 20 30 BCEDRO COCC[NH2+]CCNC(=O)CCCCC#N ZINC000594437249 348053762 /nfs/dbraw/zinc/05/37/62/348053762.db2.gz AFGGSTHODMCTGS-UHFFFAOYSA-N 1 0 227.308 0.423 20 30 BCEDRO CO[C@H]1CCN(C(=O)[C@H]([NH3+])CCCCC#N)C1 ZINC000594442278 348054857 /nfs/dbraw/zinc/05/48/57/348054857.db2.gz CFAXDKOFZBPAFJ-WDEREUQCSA-N 1 0 239.319 0.645 20 30 BCEDRO COCC1(CNC(=O)[C@@H]([NH3+])CCCC#N)CC1 ZINC000594448022 348056395 /nfs/dbraw/zinc/05/63/95/348056395.db2.gz ODNHSHOCGVQCHD-JTQLQIEISA-N 1 0 239.319 0.550 20 30 BCEDRO C[C@@H]1C[C@@H](NC(=O)[C@H]([NH3+])CCCCC#N)CO1 ZINC000594449779 348057686 /nfs/dbraw/zinc/05/76/86/348057686.db2.gz NUFNEDMLYUIJET-GMTAPVOTSA-N 1 0 239.319 0.691 20 30 BCEDRO Cc1cc(C#N)c(=O)n(C[C@H]2C[NH2+]CCO2)c1 ZINC000594696920 348100863 /nfs/dbraw/zinc/10/08/63/348100863.db2.gz SWVNRQMDFCUWBZ-LLVKDONJSA-N 1 0 233.271 0.017 20 30 BCEDRO N#Cc1ccc(CCn2nnnc2C[NH3+])cc1 ZINC000594695830 348101020 /nfs/dbraw/zinc/10/10/20/348101020.db2.gz JPOHYCBWZPUPBC-UHFFFAOYSA-N 1 0 228.259 0.246 20 30 BCEDRO C=C[C@@H](NCC[C@H](C)[NH+](C)C)C(=O)OC ZINC000594709114 348104091 /nfs/dbraw/zinc/10/40/91/348104091.db2.gz CCZQLTADDJMNIP-VHSXEESVSA-N 1 0 214.309 0.644 20 30 BCEDRO C=C[C@H](NCC[C@H](C)[NH+](C)C)C(=O)OC ZINC000594709113 348104158 /nfs/dbraw/zinc/10/41/58/348104158.db2.gz CCZQLTADDJMNIP-UWVGGRQHSA-N 1 0 214.309 0.644 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CC(C#N)C1 ZINC000594713833 348104992 /nfs/dbraw/zinc/10/49/92/348104992.db2.gz IESJWDVPYSCUBT-LLVKDONJSA-N 1 0 211.309 0.143 20 30 BCEDRO C[C@@H](C#N)CNC1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000594612697 348083477 /nfs/dbraw/zinc/08/34/77/348083477.db2.gz PQEFGDZTNIOEJL-WCQYABFASA-N 1 0 237.347 0.989 20 30 BCEDRO CC[NH2+]Cc1cn(CCn2cc(C#N)cn2)nn1 ZINC000594645879 348087058 /nfs/dbraw/zinc/08/70/58/348087058.db2.gz RQRYXNHLWLBOFP-UHFFFAOYSA-N 1 0 245.290 0.156 20 30 BCEDRO N#Cc1ccc(-n2cc(COCC[NH3+])nn2)cc1 ZINC000594651784 348089921 /nfs/dbraw/zinc/08/99/21/348089921.db2.gz KSOROVBOARQXMR-UHFFFAOYSA-N 1 0 243.270 0.614 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000594945067 348144895 /nfs/dbraw/zinc/14/48/95/348144895.db2.gz LYMQRAWJBFKQBX-CHWFTXMASA-N 1 0 227.304 0.711 20 30 BCEDRO CC[N@H+](C[C@@H](C)C#N)C[C@@H]1CNC(=O)C1 ZINC000595297687 348216826 /nfs/dbraw/zinc/21/68/26/348216826.db2.gz JGENPJQCBBEZQV-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO CN1C[C@H](C[NH2+][C@H]2CC[C@@H](C#N)C2)CC1=O ZINC000595092488 348192605 /nfs/dbraw/zinc/19/26/05/348192605.db2.gz WAEUEPSUDPNGEN-VWYCJHECSA-N 1 0 221.304 0.747 20 30 BCEDRO N#CC1(CNC(=O)CC[NH3+])CCCCC1 ZINC000595258951 348205963 /nfs/dbraw/zinc/20/59/63/348205963.db2.gz XAFYRAWRZCYOQC-UHFFFAOYSA-N 1 0 209.293 0.925 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)NCC1(C#N)CC1 ZINC000595262395 348206854 /nfs/dbraw/zinc/20/68/54/348206854.db2.gz HVTLXHPHXYHYDX-QMMMGPOBSA-N 1 0 210.281 0.197 20 30 BCEDRO CC(C)(C#N)CNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000595264424 348206912 /nfs/dbraw/zinc/20/69/12/348206912.db2.gz NMEKQCGJJNFXFB-UHFFFAOYSA-N 1 0 236.319 0.587 20 30 BCEDRO C=CCSCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000595262712 348207048 /nfs/dbraw/zinc/20/70/48/348207048.db2.gz BGMHUZXGZVXHOR-VIFPVBQESA-N 1 0 231.365 0.813 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)NCCc1ccc(C#N)cc1 ZINC000595264594 348207732 /nfs/dbraw/zinc/20/77/32/348207732.db2.gz COEQPGPJDGXQPN-SNVBAGLBSA-N 1 0 246.314 0.747 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595265620 348207811 /nfs/dbraw/zinc/20/78/11/348207811.db2.gz RNYZRTTZQNVGFA-WPRPVWTQSA-N 1 0 210.281 0.279 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000595267019 348209021 /nfs/dbraw/zinc/20/90/21/348209021.db2.gz DRYFRBIVXGDCFH-ZYHUDNBSSA-N 1 0 236.319 0.684 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N[C@H]1CC[C@@H](CC#N)C1 ZINC000595266738 348209178 /nfs/dbraw/zinc/20/91/78/348209178.db2.gz DUPHTUULJISOGH-DCAQKATOSA-N 1 0 238.335 0.976 20 30 BCEDRO CC[C@@H]([NH3+])CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595272243 348209662 /nfs/dbraw/zinc/20/96/62/348209662.db2.gz ADPGFYMWEKUNPI-KOLCDFICSA-N 1 0 224.308 0.669 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000595268098 348209833 /nfs/dbraw/zinc/20/98/33/348209833.db2.gz QLIATYNMLZMBCI-LBPRGKRZSA-N 1 0 236.319 0.684 20 30 BCEDRO C=CCCSCCNC(=O)N(C)CC[NH3+] ZINC000595270112 348209926 /nfs/dbraw/zinc/20/99/26/348209926.db2.gz CFNSUSASUSNKEE-UHFFFAOYSA-N 1 0 231.365 0.896 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000595273683 348210655 /nfs/dbraw/zinc/21/06/55/348210655.db2.gz PODCYFORHLHQND-GRZMOONWSA-N 1 0 236.319 0.539 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595275070 348211347 /nfs/dbraw/zinc/21/13/47/348211347.db2.gz FSACDZGDNBXSMP-ONGXEEELSA-N 1 0 224.308 0.539 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N1CCC(C)(C#N)CC1 ZINC000595275411 348211366 /nfs/dbraw/zinc/21/13/66/348211366.db2.gz MSSCHVIDRLGQQL-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO C=CCCS(=O)(=O)NCC[C@H](C)[NH3+] ZINC000178913187 166290698 /nfs/dbraw/zinc/29/06/98/166290698.db2.gz NRKNBBINEAILBP-QMMMGPOBSA-N 1 0 206.311 0.219 20 30 BCEDRO C=CCCS(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000360170102 166291175 /nfs/dbraw/zinc/29/11/75/166291175.db2.gz WRXFDIRQSKTOMU-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H]1C[C@H]1C ZINC000491749523 362857353 /nfs/dbraw/zinc/85/73/53/362857353.db2.gz SXVGKNMBIFHABS-NEPJUHHUSA-N 1 0 237.347 0.897 20 30 BCEDRO N#CC[C@H]1CCC[N@H+](CCc2c[nH]nn2)C1 ZINC000595623927 348292185 /nfs/dbraw/zinc/29/21/85/348292185.db2.gz YXBZHRNOUBYRRJ-SNVBAGLBSA-N 1 0 219.292 0.973 20 30 BCEDRO CC(C)C[NH2+]C1(CO)CCN(CCC#N)CC1 ZINC000595512109 348266476 /nfs/dbraw/zinc/26/64/76/348266476.db2.gz QDVDGCSXDYXULX-UHFFFAOYSA-N 1 0 239.363 0.973 20 30 BCEDRO C[C@H]1C[N@H+](CCO)[C@@H](C)CN1CCCC#N ZINC000595548929 348268664 /nfs/dbraw/zinc/26/86/64/348268664.db2.gz BFDLQLSFWHYGQE-RYUDHWBXSA-N 1 0 225.336 0.677 20 30 BCEDRO C[C@@H]1C[N@H+](CCO)[C@@H](C)CN1CCCC#N ZINC000595548925 348268774 /nfs/dbraw/zinc/26/87/74/348268774.db2.gz BFDLQLSFWHYGQE-NEPJUHHUSA-N 1 0 225.336 0.677 20 30 BCEDRO C[C@H]1C[N@H+](CCO)CCN1CCCC#N ZINC000595522860 348270235 /nfs/dbraw/zinc/27/02/35/348270235.db2.gz OWOWXCBJPIAQAB-NSHDSACASA-N 1 0 211.309 0.289 20 30 BCEDRO CC[N@@H+]1CCCN(CC(=O)NCC#N)[C@H](C)C1 ZINC000595535521 348276082 /nfs/dbraw/zinc/27/60/82/348276082.db2.gz GWQNPXNBPZSWGX-LLVKDONJSA-N 1 0 238.335 0.042 20 30 BCEDRO C=CC[C@H]1CCCC[C@H]1[NH2+]CC(=O)NC(N)=O ZINC000595601618 348286198 /nfs/dbraw/zinc/28/61/98/348286198.db2.gz DIFZVEXEYLXGTF-VHSXEESVSA-N 1 0 239.319 0.906 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000595613449 348288202 /nfs/dbraw/zinc/28/82/02/348288202.db2.gz DDWBYZKGYNBUSY-VHSXEESVSA-N 1 0 207.277 0.501 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000595615874 348288776 /nfs/dbraw/zinc/28/87/76/348288776.db2.gz UJOFFGWGKDBWCB-STQMWFEESA-N 1 0 248.330 0.870 20 30 BCEDRO COC[C@@H]([NH2+]CCC#N)C1CCOCC1 ZINC000595616198 348288883 /nfs/dbraw/zinc/28/88/83/348288883.db2.gz QQNKAJSAKKNDDP-LLVKDONJSA-N 1 0 212.293 0.931 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+]([C@H]2CCCNC2=O)C1 ZINC000595621444 348291066 /nfs/dbraw/zinc/29/10/66/348291066.db2.gz VARJGIKMWZYKJM-MNOVXSKESA-N 1 0 221.304 0.891 20 30 BCEDRO C=C(C)C[N@H+]1C[C@@H](C)N(CCO)C[C@@H]1C ZINC000419325725 192122738 /nfs/dbraw/zinc/12/27/38/192122738.db2.gz LMSSAQCLUDDGQQ-NEPJUHHUSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CC[N@@H+](CCC(=O)NC(N)=O)[C@H](C)COC ZINC000595644954 348295421 /nfs/dbraw/zinc/29/54/21/348295421.db2.gz CWYLSSLYUCZYIC-SECBINFHSA-N 1 0 243.307 0.094 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@H]1CCO[C@H]1C(=O)OC ZINC000595661814 348300333 /nfs/dbraw/zinc/30/03/33/348300333.db2.gz IQGBBWUGRDYWCB-OUAUKWLOSA-N 1 0 243.303 0.234 20 30 BCEDRO CCC#C[C@H](C)[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595665203 348302104 /nfs/dbraw/zinc/30/21/04/348302104.db2.gz UVWRTNBQDCQGPV-AXFHLTTASA-N 1 0 225.288 0.708 20 30 BCEDRO C[C@@H](CNC(=O)N1CC[C@](C)(C#N)C1)[NH+](C)C ZINC000595642468 348304223 /nfs/dbraw/zinc/30/42/23/348304223.db2.gz IXKHSVMYXBKHCH-CMPLNLGQSA-N 1 0 238.335 0.882 20 30 BCEDRO C[C@@H]1C[NH+](CCOCCC#N)C[C@@H](C)C1O ZINC000595734028 348318434 /nfs/dbraw/zinc/31/84/34/348318434.db2.gz SYKLIBBSHLWZRO-GHMZBOCLSA-N 1 0 226.320 0.865 20 30 BCEDRO N#CC1(NC(=O)C[N@@H+]2CC[C@@H]3C[C@@H]3C2)CCC1 ZINC000595809104 348349338 /nfs/dbraw/zinc/34/93/38/348349338.db2.gz GKSBXPJHBCWHTB-GHMZBOCLSA-N 1 0 233.315 0.891 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN([C@@H](C)C#N)C1CC1 ZINC000595710501 348322783 /nfs/dbraw/zinc/32/27/83/348322783.db2.gz RZLMEALPDMMTPG-JQWIXIFHSA-N 1 0 225.336 0.675 20 30 BCEDRO N#CCCOCC[N@@H+]1CC[C@@]2(O)C[C@H]2C1 ZINC000595757583 348331899 /nfs/dbraw/zinc/33/18/99/348331899.db2.gz NGNYGXHRQSZQJP-WDEREUQCSA-N 1 0 210.277 0.373 20 30 BCEDRO C=CC[N@@H+](CC(=O)NCC(=O)OC)C(C)(C)C ZINC000595764272 348333494 /nfs/dbraw/zinc/33/34/94/348333494.db2.gz YJMDIFLJXAZJLB-UHFFFAOYSA-N 1 0 242.319 0.562 20 30 BCEDRO C=CC[N@@H+](CC(=O)NC(=O)NC)C(C)(C)C ZINC000595762552 348333688 /nfs/dbraw/zinc/33/36/88/348333688.db2.gz AFJGNJYVXKLXBT-UHFFFAOYSA-N 1 0 227.308 0.729 20 30 BCEDRO N#CCNC(=O)C[N@H+]1CCC[C@H](CCF)C1 ZINC000595754365 348342209 /nfs/dbraw/zinc/34/22/09/348342209.db2.gz AJSSBEYINIMDQJ-SNVBAGLBSA-N 1 0 227.283 0.698 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)CCC(=O)NC ZINC000178114805 166297502 /nfs/dbraw/zinc/29/75/02/166297502.db2.gz RLIXHKKXCMIAGV-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C[C@@]1(C#N)CC[N@H+](CCCC(=O)NC(N)=O)C1 ZINC000595839044 348372334 /nfs/dbraw/zinc/37/23/34/348372334.db2.gz GTJPIJPLKQGSBA-NSHDSACASA-N 1 0 238.291 0.197 20 30 BCEDRO C[C@]1(C#N)CC[N@H+](CC2(O)CCOCC2)C1 ZINC000595840492 348374625 /nfs/dbraw/zinc/37/46/25/348374625.db2.gz OPARGYKGPWLPJE-LLVKDONJSA-N 1 0 224.304 0.763 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237.303 0.127 20 30 BCEDRO N#Cc1ccc(CCN2CCO[C@@H](C[NH3+])C2)cc1 ZINC000595888013 348389331 /nfs/dbraw/zinc/38/93/31/348389331.db2.gz KTGKGLKNDFCSDD-AWEZNQCLSA-N 1 0 245.326 0.760 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@H](C)C(=O)OC)CCC[NH2+]1 ZINC000595930037 348392353 /nfs/dbraw/zinc/39/23/53/348392353.db2.gz MMRAJSJKXLFIBX-BXKDBHETSA-N 1 0 240.303 0.362 20 30 BCEDRO C[C@@]1(C#N)CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000595905633 348396094 /nfs/dbraw/zinc/39/60/94/348396094.db2.gz WMHDUFYQOJVDPL-QWRGUYRKSA-N 1 0 209.293 0.210 20 30 BCEDRO CC[NH2+]CCNC(=O)CC1(C#N)CCOCC1 ZINC000595924240 348402377 /nfs/dbraw/zinc/40/23/77/348402377.db2.gz JBUKGZKWSDSILP-UHFFFAOYSA-N 1 0 239.319 0.423 20 30 BCEDRO C=CCC[N@H+]1CCC[C@H]1C(=O)NCC(=O)OC ZINC000419346325 192125832 /nfs/dbraw/zinc/12/58/32/192125832.db2.gz NHWKQCTYROIINQ-JTQLQIEISA-N 1 0 240.303 0.316 20 30 BCEDRO N#CCCCCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000595949355 348403099 /nfs/dbraw/zinc/40/30/99/348403099.db2.gz XXSQJVGSEXVLAX-UHFFFAOYSA-N 1 0 221.304 0.939 20 30 BCEDRO COC(=O)c1ccc(N[C@H](C)[C@H](C)[NH3+])c(C#N)n1 ZINC000596013612 348429950 /nfs/dbraw/zinc/42/99/50/348429950.db2.gz ILGUTUODLFKKFR-JGVFFNPUSA-N 1 0 248.286 0.887 20 30 BCEDRO COC(=O)c1ccc(N[C@H]2CC[NH2+]C2)c(C#N)n1 ZINC000596014407 348429977 /nfs/dbraw/zinc/42/99/77/348429977.db2.gz PDMGODQUIZNJSF-QMMMGPOBSA-N 1 0 246.270 0.514 20 30 BCEDRO N#Cc1ccc(N2CC3CC2(C[NH3+])C3)nc1N ZINC000596013662 348430088 /nfs/dbraw/zinc/43/00/88/348430088.db2.gz JDTDRQCFADJJAR-UHFFFAOYSA-N 1 0 229.287 0.463 20 30 BCEDRO N#Cc1cnc(N2CCC[NH2+]CC2)c(F)c1 ZINC000596016983 348431329 /nfs/dbraw/zinc/43/13/29/348431329.db2.gz XSTFWFFIXDAACA-UHFFFAOYSA-N 1 0 220.251 0.892 20 30 BCEDRO C[NH+](C)C[C@@H](CO)Nc1cccc(C#N)n1 ZINC000596242385 348485184 /nfs/dbraw/zinc/48/51/84/348485184.db2.gz GBCCTYSFQBVARH-JTQLQIEISA-N 1 0 220.276 0.288 20 30 BCEDRO Cc1ccnc(N[C@H](CO)C[NH+](C)C)c1C#N ZINC000596243345 348485282 /nfs/dbraw/zinc/48/52/82/348485282.db2.gz JYXFMSIYPXMZLL-JTQLQIEISA-N 1 0 234.303 0.596 20 30 BCEDRO Cn1ncc(C#N)c1N1CC[NH+](C2CCC2)CC1 ZINC000596127170 348445966 /nfs/dbraw/zinc/44/59/66/348445966.db2.gz UOLIYLYVSFMEIP-UHFFFAOYSA-N 1 0 245.330 0.966 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3cc(C#N)cnn3)[C@H]2C1 ZINC000596188679 348457366 /nfs/dbraw/zinc/45/73/66/348457366.db2.gz KYGVRWZBLXJHIR-NEPJUHHUSA-N 1 0 243.314 0.879 20 30 BCEDRO Cn1ncc(C#N)c1N1C[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000596262908 348478673 /nfs/dbraw/zinc/47/86/73/348478673.db2.gz IVNBXJSCWVCMJR-KOLCDFICSA-N 1 0 231.303 0.432 20 30 BCEDRO C=C(C)CN(CC)C(=O)C(=O)NCC[NH2+]CC ZINC000419866434 192147239 /nfs/dbraw/zinc/14/72/39/192147239.db2.gz GPUMATRBSIREIY-UHFFFAOYSA-N 1 0 241.335 0.137 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)NCC(C)(C)C#N ZINC000596549475 348585597 /nfs/dbraw/zinc/58/55/97/348585597.db2.gz GMKCAWPVLQJXHH-UHFFFAOYSA-N 1 0 238.335 0.739 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC2=NO[C@H](C)C2)CC1 ZINC000270865933 187399313 /nfs/dbraw/zinc/39/93/13/187399313.db2.gz VEIZJNDSTISDOY-SNVBAGLBSA-N 1 0 249.314 0.570 20 30 BCEDRO C=C(C)CN(CC)C(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420056997 192157548 /nfs/dbraw/zinc/15/75/48/192157548.db2.gz MYNFVGACHFMSHT-UHFFFAOYSA-N 1 0 241.335 0.265 20 30 BCEDRO CS(=O)(=O)CCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054825922 348665375 /nfs/dbraw/zinc/66/53/75/348665375.db2.gz MVNPBILSMASSJT-ZJUUUORDSA-N 1 0 230.333 0.703 20 30 BCEDRO C[C@H](CC#N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000596882500 348628960 /nfs/dbraw/zinc/62/89/60/348628960.db2.gz BWFFQBLZNLFLAA-ZJUUUORDSA-N 1 0 209.293 0.604 20 30 BCEDRO C=CCCCCNC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000420083040 192159726 /nfs/dbraw/zinc/15/97/26/192159726.db2.gz WEJGLLABVYXQAT-UHFFFAOYSA-N 1 0 241.335 0.312 20 30 BCEDRO COCC[N@@H+]1CC[C@H](NC(=O)[C@@H](C)CC#N)C1 ZINC000597172637 348668928 /nfs/dbraw/zinc/66/89/28/348668928.db2.gz ILDWVVOXHMBGJH-QWRGUYRKSA-N 1 0 239.319 0.373 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000597446131 348738718 /nfs/dbraw/zinc/73/87/18/348738718.db2.gz LLLVAGXWQGWNJB-LPEHRKFASA-N 1 0 244.360 0.037 20 30 BCEDRO C[C@H](CC#N)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000597225661 348695550 /nfs/dbraw/zinc/69/55/50/348695550.db2.gz FYCWQJMYLCKMAM-ZJUUUORDSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000597236067 348701206 /nfs/dbraw/zinc/70/12/06/348701206.db2.gz NRLOBYHUCNCXCP-WDEREUQCSA-N 1 0 223.320 0.946 20 30 BCEDRO C[C@@H](CC#N)C(=O)NCC[N@H+]1CC=CCC1 ZINC000597602348 348767645 /nfs/dbraw/zinc/76/76/45/348767645.db2.gz SHQCZWDTDBNQCH-NSHDSACASA-N 1 0 221.304 0.914 20 30 BCEDRO C[C@H](CC#N)C(=O)NCC[N@H+]1CC=CCC1 ZINC000597602347 348767667 /nfs/dbraw/zinc/76/76/67/348767667.db2.gz SHQCZWDTDBNQCH-LLVKDONJSA-N 1 0 221.304 0.914 20 30 BCEDRO C[N@@H+]1CC[C@]2(C1)CCCN(C(=O)CC#N)C2 ZINC000597710147 348788110 /nfs/dbraw/zinc/78/81/10/348788110.db2.gz IFBVETONIJOCJE-LBPRGKRZSA-N 1 0 221.304 0.844 20 30 BCEDRO CC[C@@H](CC#N)NC(=O)C1([NH+](C)C)CC1 ZINC000597506475 348746343 /nfs/dbraw/zinc/74/63/43/348746343.db2.gz ATTCYSKCPMKUGI-VIFPVBQESA-N 1 0 209.293 0.889 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000597531264 348757039 /nfs/dbraw/zinc/75/70/39/348757039.db2.gz BKRTZXSQUQPEKV-OPRDCNLKSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000597568221 348761045 /nfs/dbraw/zinc/76/10/45/348761045.db2.gz OADGHCWKRIGDIE-SNVBAGLBSA-N 1 0 221.304 0.700 20 30 BCEDRO N#CCC(=O)N1CC[C@@H](N2CCC2)[C@@H](F)C1 ZINC000597576920 348762258 /nfs/dbraw/zinc/76/22/58/348762258.db2.gz DYMRNDRPZFNSNX-VHSXEESVSA-N 1 0 225.267 0.545 20 30 BCEDRO C[NH+](C)C1(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC1 ZINC000597793120 348818453 /nfs/dbraw/zinc/81/84/53/348818453.db2.gz ILDFLMZAGFONDA-VHSXEESVSA-N 1 0 221.304 0.889 20 30 BCEDRO N#Cc1ccccc1CN1CC[C@@H](O)[C@@H](CO)C1 ZINC000396932277 350001000 /nfs/dbraw/zinc/00/10/00/350001000.db2.gz XXAGCYIPXVMFAT-ZIAGYGMSSA-N 1 0 246.310 0.733 20 30 BCEDRO CC[C@H](C#N)C(=O)N(C)Cc1c[nH]cn1 ZINC000597866543 348831723 /nfs/dbraw/zinc/83/17/23/348831723.db2.gz XULMZPGFBZMIHF-MRVPVSSYSA-N 1 0 206.249 0.918 20 30 BCEDRO CC[C@@H](C#N)C(=O)N(C)Cc1c[nH]cn1 ZINC000597866544 348832016 /nfs/dbraw/zinc/83/20/16/348832016.db2.gz XULMZPGFBZMIHF-QMMMGPOBSA-N 1 0 206.249 0.918 20 30 BCEDRO N#Cc1ccccc1CN1CC[C@H](O)[C@H](CO)C1 ZINC000396932273 350001071 /nfs/dbraw/zinc/00/10/71/350001071.db2.gz XXAGCYIPXVMFAT-KBPBESRZSA-N 1 0 246.310 0.733 20 30 BCEDRO N#Cc1ccccc1CN1CC[C@H](O)[C@@H](CO)C1 ZINC000396932274 350000811 /nfs/dbraw/zinc/00/08/11/350000811.db2.gz XXAGCYIPXVMFAT-KGLIPLIRSA-N 1 0 246.310 0.733 20 30 BCEDRO C[C@@H](CCNC(=O)CSCC#N)[NH+](C)C ZINC000597998125 348854052 /nfs/dbraw/zinc/85/40/52/348854052.db2.gz PEXDPJMWVOZSQV-VIFPVBQESA-N 1 0 229.349 0.700 20 30 BCEDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(CC#N)C1 ZINC000598022292 348861494 /nfs/dbraw/zinc/86/14/94/348861494.db2.gz CQUYJKCLWZGMKU-LLVKDONJSA-N 1 0 221.304 0.843 20 30 BCEDRO N#CCC1CN(C(=O)[C@@H]2CCC[N@@H+]2C2CC2)C1 ZINC000598022288 348861545 /nfs/dbraw/zinc/86/15/45/348861545.db2.gz CPHPEYLSVKTLMQ-LBPRGKRZSA-N 1 0 233.315 0.985 20 30 BCEDRO CCC[N@@H+]1CC[C@H](NC(=O)CSCC#N)C1 ZINC000598341603 348933114 /nfs/dbraw/zinc/93/31/14/348933114.db2.gz DLRGFRSKXHBKEP-JTQLQIEISA-N 1 0 241.360 0.844 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)CSCC#N ZINC000598162496 348897479 /nfs/dbraw/zinc/89/74/79/348897479.db2.gz IWMUQSWONOZHRH-UHFFFAOYSA-N 1 0 227.333 0.263 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCC[NH2+]C1CC1 ZINC000237410172 490208991 /nfs/dbraw/zinc/20/89/91/490208991.db2.gz QEWDVAYHAIREJG-SNVBAGLBSA-N 1 0 226.320 0.836 20 30 BCEDRO CCC[N@@H+](CC(N)=O)C[C@@H](O)CC(C)(C)C#N ZINC000598619060 349001733 /nfs/dbraw/zinc/00/17/33/349001733.db2.gz UZYVYNZRWYXILN-JTQLQIEISA-N 1 0 241.335 0.484 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)[C@H](C)C#N)CC[NH2+]1 ZINC000598572019 348993603 /nfs/dbraw/zinc/99/36/03/348993603.db2.gz KALQNZUDCIDFKM-NXEZZACHSA-N 1 0 209.293 0.602 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)[C@@H](C)CC#N)CC[NH2+]1 ZINC000598577002 348994182 /nfs/dbraw/zinc/99/41/82/348994182.db2.gz ZJLMAKFHLNMPBC-WDEREUQCSA-N 1 0 223.320 0.993 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)[C@H](C)CC#N)CC[NH2+]1 ZINC000598576999 348994425 /nfs/dbraw/zinc/99/44/25/348994425.db2.gz ZJLMAKFHLNMPBC-GHMZBOCLSA-N 1 0 223.320 0.993 20 30 BCEDRO CC(C)[N@@H+](CC(N)=O)C[C@H](O)CC(C)(C)C#N ZINC000598586926 348995416 /nfs/dbraw/zinc/99/54/16/348995416.db2.gz LDUOSUBANRZPHF-SNVBAGLBSA-N 1 0 241.335 0.483 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H](CO)C1 ZINC000598586927 348995911 /nfs/dbraw/zinc/99/59/11/348995911.db2.gz LIOJOYZKQIMLQH-NEPJUHHUSA-N 1 0 240.347 0.991 20 30 BCEDRO CN(C)C(=O)C[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598586262 348995990 /nfs/dbraw/zinc/99/59/90/348995990.db2.gz GHRZKVGXRLAHAH-JTQLQIEISA-N 1 0 241.335 0.307 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H](O)C1 ZINC000598588845 348996302 /nfs/dbraw/zinc/99/63/02/348996302.db2.gz CRSLYOUCVRTESR-UWVGGRQHSA-N 1 0 212.293 0.354 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@H](O)C1 ZINC000598588847 348996581 /nfs/dbraw/zinc/99/65/81/348996581.db2.gz CRSLYOUCVRTESR-VHSXEESVSA-N 1 0 212.293 0.354 20 30 BCEDRO COCC[N@H+](CCO)C[C@H](O)CC(C)(C)C#N ZINC000598589190 348996612 /nfs/dbraw/zinc/99/66/12/348996612.db2.gz GVOYGHJGRUFCFB-LLVKDONJSA-N 1 0 244.335 0.228 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000598589518 348996765 /nfs/dbraw/zinc/99/67/65/348996765.db2.gz JHOYEIUHDFUJOP-QWRGUYRKSA-N 1 0 226.320 0.744 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCNC(=O)CC1 ZINC000598591262 348997210 /nfs/dbraw/zinc/99/72/10/348997210.db2.gz XUKLDGSVZRTJBN-JTQLQIEISA-N 1 0 239.319 0.109 20 30 BCEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@@H](O)C1CC1 ZINC000598592148 348997347 /nfs/dbraw/zinc/99/73/47/348997347.db2.gz GKCXHMWNJYWJLG-NWDGAFQWSA-N 1 0 240.347 0.990 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@H](CO)C1 ZINC000598592171 348997571 /nfs/dbraw/zinc/99/75/71/348997571.db2.gz GSKPCFLSCCTIFQ-QWRGUYRKSA-N 1 0 226.320 0.601 20 30 BCEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@@H](O)C1CC1 ZINC000598592151 348997726 /nfs/dbraw/zinc/99/77/26/348997726.db2.gz GKCXHMWNJYWJLG-VXGBXAGGSA-N 1 0 240.347 0.990 20 30 BCEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H](O)C1CC1 ZINC000598592147 348997805 /nfs/dbraw/zinc/99/78/05/348997805.db2.gz GKCXHMWNJYWJLG-NEPJUHHUSA-N 1 0 240.347 0.990 20 30 BCEDRO C[C@H](O)C[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598592518 348998320 /nfs/dbraw/zinc/99/83/20/348998320.db2.gz LMARLTLPFPCDHS-VHSXEESVSA-N 1 0 214.309 0.600 20 30 BCEDRO C[N@H+](CCCO)C[C@@H](O)CC(C)(C)C#N ZINC000598614015 349000255 /nfs/dbraw/zinc/00/02/55/349000255.db2.gz AGGXTAGSJREWFR-JTQLQIEISA-N 1 0 214.309 0.601 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@](F)(CO)C1 ZINC000598614570 349000382 /nfs/dbraw/zinc/00/03/82/349000382.db2.gz LPODDJNBYSSMJP-JQWIXIFHSA-N 1 0 244.310 0.693 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N2CC[C@](C)(C#N)C2)C1 ZINC000598409489 348965370 /nfs/dbraw/zinc/96/53/70/348965370.db2.gz BCKCWYAZLMKOCG-ZYHUDNBSSA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@H](CCO)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598622901 349003898 /nfs/dbraw/zinc/00/38/98/349003898.db2.gz OTIHJGATTXKWTH-MNOVXSKESA-N 1 0 228.336 0.990 20 30 BCEDRO CNS(=O)(=O)CCN1CCC[C@](C)(C#N)C1 ZINC000598603823 349005873 /nfs/dbraw/zinc/00/58/73/349005873.db2.gz KKDJOXISFOBBER-SNVBAGLBSA-N 1 0 245.348 0.161 20 30 BCEDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000598678536 349020916 /nfs/dbraw/zinc/02/09/16/349020916.db2.gz RMXDYAHKDFILPC-IJLUTSLNSA-N 1 0 221.304 0.889 20 30 BCEDRO CC(=O)N1CC[C@@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000598678537 349021114 /nfs/dbraw/zinc/02/11/14/349021114.db2.gz RMXDYAHKDFILPC-QJPTWQEYSA-N 1 0 221.304 0.889 20 30 BCEDRO CC(=O)N1CC[C@@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000598678538 349021374 /nfs/dbraw/zinc/02/13/74/349021374.db2.gz RMXDYAHKDFILPC-SDDRHHMPSA-N 1 0 221.304 0.889 20 30 BCEDRO CC(=O)NCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598704539 349023048 /nfs/dbraw/zinc/02/30/48/349023048.db2.gz RFRHXGQBJMMKLC-JTQLQIEISA-N 1 0 227.308 0.013 20 30 BCEDRO COC(=O)CCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598714210 349025380 /nfs/dbraw/zinc/02/53/80/349025380.db2.gz GPKCECJQWCOBFP-JTQLQIEISA-N 1 0 242.319 0.830 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CC1(C)COC1 ZINC000598720115 349027092 /nfs/dbraw/zinc/02/70/92/349027092.db2.gz MKDHQMPOSMMANZ-JTQLQIEISA-N 1 0 226.320 0.913 20 30 BCEDRO CN(CC[NH2+]C[C@H](O)CC(C)(C)C#N)C1CC1 ZINC000598721553 349028232 /nfs/dbraw/zinc/02/82/32/349028232.db2.gz XEXHPPCMXREPCD-GFCCVEGCSA-N 1 0 239.363 0.971 20 30 BCEDRO COC[C@@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)OC ZINC000598722989 349028673 /nfs/dbraw/zinc/02/86/73/349028673.db2.gz CIMQLZKTAIRVQA-GHMZBOCLSA-N 1 0 244.335 0.538 20 30 BCEDRO C[C@@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)N(C)C ZINC000598726000 349028970 /nfs/dbraw/zinc/02/89/70/349028970.db2.gz LYHMGFLQBBGHMB-QWRGUYRKSA-N 1 0 227.352 0.827 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCOC1 ZINC000598727231 349029900 /nfs/dbraw/zinc/02/99/00/349029900.db2.gz VTDSTCWEBNXKMI-VHSXEESVSA-N 1 0 212.293 0.666 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1C[C@@H](O)C1 ZINC000598729229 349031183 /nfs/dbraw/zinc/03/11/83/349031183.db2.gz HLOKXCWOMDKUJH-KXUCPTDWSA-N 1 0 212.293 0.400 20 30 BCEDRO C[C@H](CCO)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730401 349032918 /nfs/dbraw/zinc/03/29/18/349032918.db2.gz UXXLTIGIODRJLD-GHMZBOCLSA-N 1 0 228.336 0.895 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000599091537 349091345 /nfs/dbraw/zinc/09/13/45/349091345.db2.gz BZWOVGWMJZIRRO-AGIUHOORSA-N 1 0 237.347 0.725 20 30 BCEDRO CCC(CC)[NH2+]CCNc1ncncc1C#N ZINC000599096888 349092952 /nfs/dbraw/zinc/09/29/52/349092952.db2.gz AFIZLEGWGVMXBZ-UHFFFAOYSA-N 1 0 233.319 0.960 20 30 BCEDRO Cc1cc(NCC[N@@H+]2CC[C@@H](O)C2)c(C#N)cn1 ZINC000599176030 349104105 /nfs/dbraw/zinc/10/41/05/349104105.db2.gz OUDQQRIQHKJOKA-GFCCVEGCSA-N 1 0 246.314 0.162 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@](C)(CO)c1ccccc1 ZINC000599171233 349111062 /nfs/dbraw/zinc/11/10/62/349111062.db2.gz CYEUPPUOYVBZJP-CQSZACIVSA-N 1 0 248.326 0.786 20 30 BCEDRO CC[C@@H]1CN(c2cnc(C#N)cn2)C[C@H](C)[NH2+]1 ZINC000599181000 349122248 /nfs/dbraw/zinc/12/22/48/349122248.db2.gz SFWOWMUTKOAAFM-VHSXEESVSA-N 1 0 231.303 0.925 20 30 BCEDRO Cc1ccc(C[N@H+]2C[C@@H](O)[C@@H](O)C2)cc1C#N ZINC000599306943 349143279 /nfs/dbraw/zinc/14/32/79/349143279.db2.gz GNEUNLCJWJLIDE-BETUJISGSA-N 1 0 232.283 0.404 20 30 BCEDRO COC(=O)CCCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000599455585 349189214 /nfs/dbraw/zinc/18/92/14/349189214.db2.gz SXRZJYKRKVASPW-LBPRGKRZSA-N 1 0 240.303 0.680 20 30 BCEDRO C[N@H+](C[C@H](O)CC1(C#N)CC1)CC1(O)CCC1 ZINC000599363791 349160492 /nfs/dbraw/zinc/16/04/92/349160492.db2.gz FDTJGAMGOLXTTN-LLVKDONJSA-N 1 0 238.331 0.888 20 30 BCEDRO COC[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599401051 349172442 /nfs/dbraw/zinc/17/24/42/349172442.db2.gz KCBQEPTZXPXEAY-VHSXEESVSA-N 1 0 212.293 0.666 20 30 BCEDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000599434284 349173800 /nfs/dbraw/zinc/17/38/00/349173800.db2.gz XCZVNHAASNLDRQ-OUAUKWLOSA-N 1 0 238.331 0.790 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599437131 349175947 /nfs/dbraw/zinc/17/59/47/349175947.db2.gz FUMUDAZRIOJPSE-GARJFASQSA-N 1 0 240.303 0.045 20 30 BCEDRO COC(=O)[C@@]1(OC)CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000599563533 349219074 /nfs/dbraw/zinc/21/90/74/349219074.db2.gz ILWWXKWXRBNRDS-CMPLNLGQSA-N 1 0 240.303 0.943 20 30 BCEDRO C[N@H+](Cc1ccc(C#N)cn1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599644533 349239651 /nfs/dbraw/zinc/23/96/51/349239651.db2.gz KDUCHISQQBIIGH-KLPPZKSPSA-N 1 0 244.298 0.649 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)Cn1cccn1 ZINC000274359377 192403493 /nfs/dbraw/zinc/40/34/93/192403493.db2.gz KNPZBLQPVHRJCW-NSHDSACASA-N 1 0 234.303 0.001 20 30 BCEDRO C=CCOCCCNC(=O)N[C@H](C)CC[NH3+] ZINC000659530858 538035719 /nfs/dbraw/zinc/03/57/19/538035719.db2.gz VHXIFLOBMPESPT-SNVBAGLBSA-N 1 0 229.324 0.616 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CC(=O)NCC(=O)OC)C1 ZINC000599526317 349207524 /nfs/dbraw/zinc/20/75/24/349207524.db2.gz KYCUISBWVQRADM-JTQLQIEISA-N 1 0 240.303 0.174 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CCC(=O)NC(=O)NC)C1 ZINC000599526679 349207807 /nfs/dbraw/zinc/20/78/07/349207807.db2.gz PIGBGFHENXCBDV-JTQLQIEISA-N 1 0 239.319 0.730 20 30 BCEDRO CNS(=O)(=O)C[C@@H]1CCCN(CCC#N)C1 ZINC000599694783 349247595 /nfs/dbraw/zinc/24/75/95/349247595.db2.gz VJXMJPFYPLPWGC-SNVBAGLBSA-N 1 0 245.348 0.161 20 30 BCEDRO CC(C)(C#N)CCN1CCO[C@@H](CC(N)=O)C1 ZINC000599664485 349247806 /nfs/dbraw/zinc/24/78/06/349247806.db2.gz OJSLHZCPRSAFBS-JTQLQIEISA-N 1 0 239.319 0.502 20 30 BCEDRO N#Cc1nccc(NC[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000386160985 362944817 /nfs/dbraw/zinc/94/48/17/362944817.db2.gz QNRNFAQXRNRLEF-SNVBAGLBSA-N 1 0 243.314 0.666 20 30 BCEDRO N#Cc1cncnc1NC1CC[NH2+]CC1 ZINC000308965285 349259690 /nfs/dbraw/zinc/25/96/90/349259690.db2.gz MACSCYUWLOJJBC-UHFFFAOYSA-N 1 0 203.249 0.512 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)C#N ZINC000599916376 349270454 /nfs/dbraw/zinc/27/04/54/349270454.db2.gz AFPOWNCSANUYBJ-DTWKUNHWSA-N 1 0 224.308 0.586 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CC[C@](C)(C#N)C1 ZINC000599939623 349273031 /nfs/dbraw/zinc/27/30/31/349273031.db2.gz AUBMSPAKXMXCKK-HOSYDEDBSA-N 1 0 236.319 0.682 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CC3(C#N)CC3)C[C@H]21 ZINC000599992040 349278433 /nfs/dbraw/zinc/27/84/33/349278433.db2.gz PYQLRNPCTXJEFI-IAZYJMLFSA-N 1 0 233.315 0.699 20 30 BCEDRO C[NH+](C)CCn1cc(C(=O)N2CC(C#N)C2)cn1 ZINC000601602409 349310791 /nfs/dbraw/zinc/31/07/91/349310791.db2.gz PSHSMBOAJFFGEU-UHFFFAOYSA-N 1 0 247.302 0.040 20 30 BCEDRO N#CCC[C@H](C#N)C[NH2+][C@H]1CCC[C@@H]1O ZINC000601969639 349407038 /nfs/dbraw/zinc/40/70/38/349407038.db2.gz RKFVEDGDWQBTOH-VWYCJHECSA-N 1 0 207.277 0.933 20 30 BCEDRO N#CCCOCC[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000601971380 349407695 /nfs/dbraw/zinc/40/76/95/349407695.db2.gz CNSUKVNGQRXMGI-PHIMTYICSA-N 1 0 210.277 0.495 20 30 BCEDRO C[NH+](C)Cc1cccc(NCC(=O)NCC#N)c1 ZINC000601930338 349383954 /nfs/dbraw/zinc/38/39/54/349383954.db2.gz GULHCNYZAGKYIA-UHFFFAOYSA-N 1 0 246.314 0.800 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCCC[C@H]1CCO ZINC000342067328 538045085 /nfs/dbraw/zinc/04/50/85/538045085.db2.gz SAXOFUANOFNGFM-LBPRGKRZSA-N 1 0 240.347 0.916 20 30 BCEDRO Cc1nc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)ccc1C#N ZINC000292043215 180005070 /nfs/dbraw/zinc/00/50/70/180005070.db2.gz VKLNTPQSBJFHCI-RYUDHWBXSA-N 1 0 246.314 0.373 20 30 BCEDRO N#CCCOCCN1CC[NH+](CCCF)CC1 ZINC000402248526 350089230 /nfs/dbraw/zinc/08/92/30/350089230.db2.gz PFLBBWOTLCFTFW-UHFFFAOYSA-N 1 0 243.326 0.894 20 30 BCEDRO C=CCCOCC[NH2+][C@H](C)CS(=O)(=O)CC ZINC000132343907 191032273 /nfs/dbraw/zinc/03/22/73/191032273.db2.gz COCRZRGRVQUHLN-LLVKDONJSA-N 1 0 249.376 0.992 20 30 BCEDRO CC(C)(C#N)CC[NH+]1CCC(O)(CO)CC1 ZINC000313637761 350163668 /nfs/dbraw/zinc/16/36/68/350163668.db2.gz MMNYDWJUBIXLMI-UHFFFAOYSA-N 1 0 226.320 0.745 20 30 BCEDRO CC(C)[C@@H](C#N)N1CC[NH+](CCCCO)CC1 ZINC000609484459 350174685 /nfs/dbraw/zinc/17/46/85/350174685.db2.gz CFBYCEMHTZGXLF-CYBMUJFWSA-N 1 0 239.363 0.925 20 30 BCEDRO C#CC[N@@H+]1CCCN(c2ncccn2)CC1 ZINC000365260648 350193176 /nfs/dbraw/zinc/19/31/76/350193176.db2.gz SHSKSECOURKMTN-UHFFFAOYSA-N 1 0 216.288 0.622 20 30 BCEDRO C[NH2+]C1CCN(c2cc(C#N)ncn2)CC1 ZINC000309245835 350236705 /nfs/dbraw/zinc/23/67/05/350236705.db2.gz CDQAAAJAVKWICY-UHFFFAOYSA-N 1 0 217.276 0.536 20 30 BCEDRO N#Cc1nccc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000309268270 350247323 /nfs/dbraw/zinc/24/73/23/350247323.db2.gz DCOOHOCRGZWMBS-DTORHVGOSA-N 1 0 215.260 0.004 20 30 BCEDRO C[C@@H]1C[N@H+](C)CCN1c1cc(C#N)ncn1 ZINC000309294174 350268698 /nfs/dbraw/zinc/26/86/98/350268698.db2.gz KJJOFDAURDOJIX-SECBINFHSA-N 1 0 217.276 0.489 20 30 BCEDRO CCNC(=O)NC(=O)CN(CC)C[C@H](C)C#N ZINC000049982240 350273590 /nfs/dbraw/zinc/27/35/90/350273590.db2.gz DYPXVUGKFRTVJY-SECBINFHSA-N 1 0 240.307 0.314 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@H]1COC2(CCCC2)O1 ZINC000262375772 535123682 /nfs/dbraw/zinc/12/36/82/535123682.db2.gz MGXZDPIHXQAPBF-JTQLQIEISA-N 1 0 241.335 0.985 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@@]1(O)CCC[C@@H]1C ZINC000262265115 535123986 /nfs/dbraw/zinc/12/39/86/535123986.db2.gz RRQBXKTVQJFVMB-ONGXEEELSA-N 1 0 213.325 0.850 20 30 BCEDRO N#Cc1cc(N2CCC(C[NH3+])CC2)ncn1 ZINC000309393245 350367224 /nfs/dbraw/zinc/36/72/24/350367224.db2.gz FTSDQNKSGNPMQV-UHFFFAOYSA-N 1 0 217.276 0.523 20 30 BCEDRO C#CCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@H]2C1 ZINC000365547268 350343647 /nfs/dbraw/zinc/34/36/47/350343647.db2.gz NNFKGIUJDXYCFT-RWMBFGLXSA-N 1 0 247.342 0.745 20 30 BCEDRO C[C@H]1C[C@H](Nc2cc(C#N)ncn2)CC[NH2+]1 ZINC000309379588 350361188 /nfs/dbraw/zinc/36/11/88/350361188.db2.gz CSPYJHZZLWLUCN-DTWKUNHWSA-N 1 0 217.276 0.901 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000336665142 350425541 /nfs/dbraw/zinc/42/55/41/350425541.db2.gz FLBUNNBROQJJBQ-SECBINFHSA-N 1 0 245.348 0.289 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000336665984 350426541 /nfs/dbraw/zinc/42/65/41/350426541.db2.gz KNXZMUXKKFGBHO-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000336660704 350428994 /nfs/dbraw/zinc/42/89/94/350428994.db2.gz BAHWIQUSQOPMFL-NSHDSACASA-N 1 0 244.360 0.271 20 30 BCEDRO CC[N@@H+](C[C@@H](C)C#N)C[C@H](O)Cn1cccn1 ZINC000336702792 350459584 /nfs/dbraw/zinc/45/95/84/350459584.db2.gz AJKJPJQGQFEONK-RYUDHWBXSA-N 1 0 236.319 0.726 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@H](O)CSC ZINC000577513691 365975826 /nfs/dbraw/zinc/97/58/26/365975826.db2.gz VKQZENWJSGWINE-ZJUUUORDSA-N 1 0 219.350 0.627 20 30 BCEDRO C[C@H]1C[N@@H+]2CCC[C@@H]2CN1C(=O)CC#N ZINC000094460697 350582595 /nfs/dbraw/zinc/58/25/95/350582595.db2.gz JNVQVYBTMLNWCD-VHSXEESVSA-N 1 0 207.277 0.595 20 30 BCEDRO C[C@@H](C#N)CN(C)CCn1ccccc1=O ZINC000112091222 350617194 /nfs/dbraw/zinc/61/71/94/350617194.db2.gz IHHKPPVQJSTIIX-NSHDSACASA-N 1 0 219.288 0.940 20 30 BCEDRO CC#CC[N@@H+](C)C[C@@H](O)CO[C@@H](C)COC ZINC000339755113 350818791 /nfs/dbraw/zinc/81/87/91/350818791.db2.gz WCRCMPPKSYUKJK-NWDGAFQWSA-N 1 0 229.320 0.354 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)[C@@H](C)C#N ZINC000336687515 350960420 /nfs/dbraw/zinc/96/04/20/350960420.db2.gz LJGCYTKSZZOMLN-UWVGGRQHSA-N 1 0 211.309 0.991 20 30 BCEDRO CN1CC[NH2+]C[C@@H]1CNc1ccc(C#N)cc1 ZINC000222612574 350990942 /nfs/dbraw/zinc/99/09/42/350990942.db2.gz BGEMZPYNCFHYSZ-CYBMUJFWSA-N 1 0 230.315 0.874 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)CCC(C)(C)C#N ZINC000336692079 350995865 /nfs/dbraw/zinc/99/58/65/350995865.db2.gz NACPLEVAUSPNFO-SNVBAGLBSA-N 1 0 214.309 0.601 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000086271947 351053136 /nfs/dbraw/zinc/05/31/36/351053136.db2.gz MZONQZQEZNREGF-GUBZILKMSA-N 1 0 209.293 0.745 20 30 BCEDRO CCNC(=[NH2+])NCc1oc(CC)nc1C ZINC000291887071 351060358 /nfs/dbraw/zinc/06/03/58/351060358.db2.gz JCLTZSATEFHSSR-UHFFFAOYSA-N 1 0 210.281 0.970 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cccc2nccn21 ZINC000289937651 351011156 /nfs/dbraw/zinc/01/11/56/351011156.db2.gz UDHGGHZRRWELIZ-JTQLQIEISA-N 1 0 217.272 0.971 20 30 BCEDRO C=CC1CC[NH+](CCNS(=O)(=O)CC)CC1 ZINC000111256290 191130253 /nfs/dbraw/zinc/13/02/53/191130253.db2.gz WLTLLRYQMUZQOA-UHFFFAOYSA-N 1 0 246.376 0.824 20 30 BCEDRO C=C[C@H](CO)N[C@@H]1CC[N@@H+](C)C(C)(C)C1 ZINC000623574180 363003683 /nfs/dbraw/zinc/00/36/83/363003683.db2.gz GYTAYDURRIGACB-GHMZBOCLSA-N 1 0 212.337 0.996 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC[N@H+](C)C(C)C ZINC000054134154 351312019 /nfs/dbraw/zinc/31/20/19/351312019.db2.gz CSNFAPRAVCSNFY-JTQLQIEISA-N 1 0 211.309 0.993 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC[NH+]1CCCC1 ZINC000054134191 351312250 /nfs/dbraw/zinc/31/22/50/351312250.db2.gz HCPKGPPWOAPXHA-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C[N@H+]1CC=C(CNC(=O)C(C)(C)C#N)CC1 ZINC000271875823 351442943 /nfs/dbraw/zinc/44/29/43/351442943.db2.gz MGIBXKFDGZMCPA-UHFFFAOYSA-N 1 0 221.304 0.914 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@H](O)CCc1ccccc1 ZINC000272885784 351500637 /nfs/dbraw/zinc/50/06/37/351500637.db2.gz AOIPOXLAMVRKJI-LBPRGKRZSA-N 1 0 235.331 0.856 20 30 BCEDRO CN(C)c1cc[nH+]cc1C(=O)NCC#N ZINC000273534079 351535115 /nfs/dbraw/zinc/53/51/15/351535115.db2.gz RULYOSIBISBAAP-UHFFFAOYSA-N 1 0 204.233 0.401 20 30 BCEDRO CNC(=O)[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000398493283 351557616 /nfs/dbraw/zinc/55/76/16/351557616.db2.gz DDZSZIBSMCLVDU-JTQLQIEISA-N 1 0 221.304 0.748 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)N(C)CCC[NH+](C)C ZINC000577697105 366038656 /nfs/dbraw/zinc/03/86/56/366038656.db2.gz GPYIAGRMXDSXHN-PWSUYJOCSA-N 1 0 223.320 0.946 20 30 BCEDRO CC#CCCNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000577767259 366056260 /nfs/dbraw/zinc/05/62/60/366056260.db2.gz WTSYVEMSVIWIBJ-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C=CCNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000637870598 351736348 /nfs/dbraw/zinc/73/63/48/351736348.db2.gz CZHWWVBNPBMFQT-NSHDSACASA-N 1 0 212.293 0.447 20 30 BCEDRO Cn1cc(C[NH2+][C@@H]2CC[C@H]2O)cc1C#N ZINC000335282309 180651794 /nfs/dbraw/zinc/65/17/94/180651794.db2.gz RWGHUCFSFBRMKO-GHMZBOCLSA-N 1 0 205.261 0.510 20 30 BCEDRO C=CC1CCN(C(=O)c2cnc(C[NH3+])nc2)CC1 ZINC000637993044 351870045 /nfs/dbraw/zinc/87/00/45/351870045.db2.gz IRZZYQWNSXGEQS-UHFFFAOYSA-N 1 0 246.314 0.974 20 30 BCEDRO C#CCN(CC#N)C(=O)C[NH+]1CCC(C)CC1 ZINC000282020137 351920887 /nfs/dbraw/zinc/92/08/87/351920887.db2.gz PDJNWLXMJVIICP-UHFFFAOYSA-N 1 0 233.315 0.704 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@@H](CC)[NH+](C)C ZINC000282105013 351923275 /nfs/dbraw/zinc/92/32/75/351923275.db2.gz WJRUDTOWYFZHAF-SNVBAGLBSA-N 1 0 207.277 0.312 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000638009797 351888374 /nfs/dbraw/zinc/88/83/74/351888374.db2.gz OEFBNFFALJKJRW-KOLCDFICSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638011285 351888437 /nfs/dbraw/zinc/88/84/37/351888437.db2.gz WDYKYIVOJLHZEZ-JBLDHEPKSA-N 1 0 226.320 0.834 20 30 BCEDRO Cc1ccc([C@H](O)CNC2=[NH+]CCN2C)cc1 ZINC000285161889 352026484 /nfs/dbraw/zinc/02/64/84/352026484.db2.gz SPBBARMOGJOJBO-GFCCVEGCSA-N 1 0 233.315 0.919 20 30 BCEDRO CSc1nnc(CNC2=[NH+]CCN2C)s1 ZINC000285257429 352031539 /nfs/dbraw/zinc/03/15/39/352031539.db2.gz ZMEAPQOJXURYFB-UHFFFAOYSA-N 1 0 243.361 0.651 20 30 BCEDRO CN1CC[NH+]=C1NC[C@H](O)CCc1ccccc1 ZINC000285255086 352031567 /nfs/dbraw/zinc/03/15/67/352031567.db2.gz ZIYPQLNMROFYTG-CYBMUJFWSA-N 1 0 247.342 0.871 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@H](O)CCc1ccccc1 ZINC000285255090 352031724 /nfs/dbraw/zinc/03/17/24/352031724.db2.gz ZIYPQLNMROFYTG-ZDUSSCGKSA-N 1 0 247.342 0.871 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CCC(O)(COC)CC1 ZINC000340229841 352088203 /nfs/dbraw/zinc/08/82/03/352088203.db2.gz AFEJWYUJCQDGCH-GFCCVEGCSA-N 1 0 243.347 0.787 20 30 BCEDRO CC#CCCNC(=O)NCCOCCC[NH3+] ZINC000627016648 363115341 /nfs/dbraw/zinc/11/53/41/363115341.db2.gz PAPYSHUZIAYWLX-UHFFFAOYSA-N 1 0 227.308 0.064 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000288592117 352157248 /nfs/dbraw/zinc/15/72/48/352157248.db2.gz DHEJTHLSOUCFRH-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627023595 363118280 /nfs/dbraw/zinc/11/82/80/363118280.db2.gz YWIGSTANBGNMCP-SNVBAGLBSA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCCCNC(=O)NCCOCCC[NH3+] ZINC000627023215 363118928 /nfs/dbraw/zinc/11/89/28/363118928.db2.gz NYMOHYQJYWUFOG-UHFFFAOYSA-N 1 0 229.324 0.617 20 30 BCEDRO C=CCN(C(=O)C[C@H](C)[NH3+])[C@H](C)COC ZINC000638407626 352213350 /nfs/dbraw/zinc/21/33/50/352213350.db2.gz SOLGSAWHKSNKSR-VHSXEESVSA-N 1 0 214.309 0.773 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H](C)[NH2+]CC ZINC000638415594 352225986 /nfs/dbraw/zinc/22/59/86/352225986.db2.gz OFLFEAGASIEXAE-SNVBAGLBSA-N 1 0 214.309 0.693 20 30 BCEDRO C=CCOCCNC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638423605 352231058 /nfs/dbraw/zinc/23/10/58/352231058.db2.gz AOOKOPWMBRGZES-GFCCVEGCSA-N 1 0 242.319 0.061 20 30 BCEDRO NC(=[NH2+])NC[C@]1(CO)C[C@@H]1c1ccccc1 ZINC000290666135 352234119 /nfs/dbraw/zinc/23/41/19/352234119.db2.gz OJHUISAOAQAWCK-PWSUYJOCSA-N 1 0 219.288 0.426 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000613374749 363150380 /nfs/dbraw/zinc/15/03/80/363150380.db2.gz IENYDHWZQASFAD-GXSJLCMTSA-N 1 0 224.304 0.300 20 30 BCEDRO COCCCNC(=O)CN(C)[C@H](C)CCC#N ZINC000411152249 191165262 /nfs/dbraw/zinc/16/52/62/191165262.db2.gz FAAJMZTVGZLXMK-LLVKDONJSA-N 1 0 241.335 0.763 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)C[C@H]2C[NH2+]CCO2)C1 ZINC000638471509 352282408 /nfs/dbraw/zinc/28/24/08/352282408.db2.gz FYAVGVPJYVJHRD-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCN(CCC#N)C[C@@H](O)COCC ZINC000292120145 352303582 /nfs/dbraw/zinc/30/35/82/352303582.db2.gz HYQPYBYBWYAHQX-LLVKDONJSA-N 1 0 212.293 0.785 20 30 BCEDRO C=C(CC)CNC(=O)NCC1([NH3+])CCOCC1 ZINC000627056658 363174988 /nfs/dbraw/zinc/17/49/88/363174988.db2.gz YLUJLRHRQIUVFL-UHFFFAOYSA-N 1 0 241.335 0.760 20 30 BCEDRO C=CCCC(=O)N(C)CCOCC[NH2+]C ZINC000638590500 352421033 /nfs/dbraw/zinc/42/10/33/352421033.db2.gz JJWCFRFHXUEYQV-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=CCN(C)CC[N@@H+](CC)C[C@@H](O)COC ZINC000411646602 191202035 /nfs/dbraw/zinc/20/20/35/191202035.db2.gz VTCIMVSARJMJAW-GFCCVEGCSA-N 1 0 230.352 0.433 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)N(C)CC ZINC000411642517 191202658 /nfs/dbraw/zinc/20/26/58/191202658.db2.gz NJUKHKIOWGQCNM-UHFFFAOYSA-N 1 0 241.379 0.904 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC[NH+](CC)CC ZINC000044809011 352429928 /nfs/dbraw/zinc/42/99/28/352429928.db2.gz RBMSTYBVURYFSC-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO CC[C@H](C#N)C(=O)NC1CC[NH+](C)CC1 ZINC000044822563 352434187 /nfs/dbraw/zinc/43/41/87/352434187.db2.gz HGJCZVYTPWKGGT-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000638648842 352491752 /nfs/dbraw/zinc/49/17/52/352491752.db2.gz OPUNRNCZPVFQAY-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[C@H](C)[NH2+]C2)nn1 ZINC000638653849 352496967 /nfs/dbraw/zinc/49/69/67/352496967.db2.gz ZNJLKEGEEJMTBN-UWVGGRQHSA-N 1 0 249.318 0.334 20 30 BCEDRO C=CCCOCC(=O)N(C)CCOCC[NH3+] ZINC000638677134 352516673 /nfs/dbraw/zinc/51/66/73/352516673.db2.gz DQESJKJPEMJCEG-UHFFFAOYSA-N 1 0 230.308 0.013 20 30 BCEDRO Cn1cnc(CC[NH2+]Cc2cc(C#N)n(C)c2)n1 ZINC000232315578 352619469 /nfs/dbraw/zinc/61/94/69/352619469.db2.gz RXYPMJYAQBMKGH-UHFFFAOYSA-N 1 0 244.302 0.358 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@@H](O)C[C@H]1COC ZINC000411916336 191228035 /nfs/dbraw/zinc/22/80/35/191228035.db2.gz YIOKISDVVNKAED-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO CC#CCN1CC[N@H+](C)C[C@H](C(=O)OC)C1 ZINC000411899096 191228085 /nfs/dbraw/zinc/22/80/85/191228085.db2.gz AZGGPZYRJRIJCK-NSHDSACASA-N 1 0 224.304 0.046 20 30 BCEDRO C=C[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000638747287 352682184 /nfs/dbraw/zinc/68/21/84/352682184.db2.gz FINKAZSESBQAEX-VIFPVBQESA-N 1 0 240.328 0.998 20 30 BCEDRO C=C(C)CC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000334173163 352757957 /nfs/dbraw/zinc/75/79/57/352757957.db2.gz ANEWFZBKLZAJFM-SECBINFHSA-N 1 0 223.276 0.189 20 30 BCEDRO C=CCOCCC[N@@H+]1CCO[C@H]([C@H](C)O)C1 ZINC000412088736 191254914 /nfs/dbraw/zinc/25/49/14/191254914.db2.gz OMTOKFWZRPAUAA-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+]C(C)(C)COC)C1=O ZINC000336759463 166358188 /nfs/dbraw/zinc/35/81/88/166358188.db2.gz JAKVFKRKYLRXPL-SNVBAGLBSA-N 1 0 226.320 0.788 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000334246960 352838227 /nfs/dbraw/zinc/83/82/27/352838227.db2.gz VDBPHAABDILQRB-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCCC[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366795695 352931901 /nfs/dbraw/zinc/93/19/01/352931901.db2.gz IFHUNUVRLSKHDJ-WDEREUQCSA-N 1 0 224.304 0.542 20 30 BCEDRO C=CCCOCC[NH2+]C[C@]1(OC)CCOC1 ZINC000638812255 352990914 /nfs/dbraw/zinc/99/09/14/352990914.db2.gz UGZUBLBQIDSLDT-GFCCVEGCSA-N 1 0 229.320 0.974 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CC1(F)F ZINC000638846838 353027101 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/nfs/dbraw/zinc/08/73/54/188087354.db2.gz KTEGNLDMSYDZJS-SECBINFHSA-N 1 0 232.711 0.609 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000330939231 353202225 /nfs/dbraw/zinc/20/22/25/353202225.db2.gz CTQZMSOPCNZTCE-QWRGUYRKSA-N 1 0 241.335 0.521 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@H+](CCCOC)C1 ZINC000330939153 353202282 /nfs/dbraw/zinc/20/22/82/353202282.db2.gz CLALYCPELOXESX-VIFPVBQESA-N 1 0 215.297 0.231 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@H+](CCCOC)C1 ZINC000330939152 353202407 /nfs/dbraw/zinc/20/24/07/353202407.db2.gz CLALYCPELOXESX-SECBINFHSA-N 1 0 215.297 0.231 20 30 BCEDRO COC[C@H](CCO)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336762588 353204562 /nfs/dbraw/zinc/20/45/62/353204562.db2.gz NYJJRZNEUCNJMC-DCAQKATOSA-N 1 0 212.293 0.666 20 30 BCEDRO Cc1nc(CNC(=O)N(C)CC[NH+](C)C)no1 ZINC000331049205 353213110 /nfs/dbraw/zinc/21/31/10/353213110.db2.gz HIWFLPQQLQRXKE-UHFFFAOYSA-N 1 0 241.295 0.285 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000331145964 353222581 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353734850 /nfs/dbraw/zinc/73/48/50/353734850.db2.gz PXJYEDIDXHTRPC-UHFFFAOYSA-N 1 0 226.320 0.484 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1CC[C@@H]1CC ZINC000292474296 353715200 /nfs/dbraw/zinc/71/52/00/353715200.db2.gz RPOJYXMFASYHTR-ZJUUUORDSA-N 1 0 239.319 0.871 20 30 BCEDRO C=CCOCC[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000293078874 353731939 /nfs/dbraw/zinc/73/19/39/353731939.db2.gz MJCSXRLTNIVRLQ-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCOCC[NH+]1CCC(CC(N)=O)CC1 ZINC000293568278 353748851 /nfs/dbraw/zinc/74/88/51/353748851.db2.gz SMSSWVZKONTXMZ-UHFFFAOYSA-N 1 0 226.320 0.776 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CCO)[C@H](C)CC ZINC000293677975 353761036 /nfs/dbraw/zinc/76/10/36/353761036.db2.gz VFBRHJHYELKMMX-LLVKDONJSA-N 1 0 226.320 0.219 20 30 BCEDRO C=CCOCCN1CCN(C(=O)NC)CC1 ZINC000293875388 353762583 /nfs/dbraw/zinc/76/25/83/353762583.db2.gz SXUWFQSSWGNXSE-UHFFFAOYSA-N 1 0 227.308 0.146 20 30 BCEDRO Cc1cc(N2CCCO[C@@H](C[NH3+])C2)c(C#N)cn1 ZINC000399066572 353764254 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354609585 /nfs/dbraw/zinc/60/95/85/354609585.db2.gz LYPMHTTWLSTUMF-OPRDCNLKSA-N 1 0 209.293 0.745 20 30 BCEDRO CC#CCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000335137974 354788779 /nfs/dbraw/zinc/78/87/79/354788779.db2.gz JHCNVVSXTGAPGC-TXEJJXNPSA-N 1 0 235.331 0.936 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000345985073 354833439 /nfs/dbraw/zinc/83/34/39/354833439.db2.gz XSQOPKVORFYIMW-SECBINFHSA-N 1 0 224.308 0.669 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C)C[NH+](C)C ZINC000346155416 354871635 /nfs/dbraw/zinc/87/16/35/354871635.db2.gz JIGNGUVAYLLZCK-VIFPVBQESA-N 1 0 200.282 0.255 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2COC[C@H]2O)s1 ZINC000134217955 354836458 /nfs/dbraw/zinc/83/64/58/354836458.db2.gz WAZNMQWGMWJLAM-VHSXEESVSA-N 1 0 224.285 0.469 20 30 BCEDRO C=CC[C@H](C)NC(=O)NCCOCC[NH2+]C ZINC000627176500 363423634 /nfs/dbraw/zinc/42/36/34/363423634.db2.gz WHSYELXMSXVEPE-JTQLQIEISA-N 1 0 229.324 0.486 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000351959324 134018503 /nfs/dbraw/zinc/01/85/03/134018503.db2.gz OOVNKZKMVOUICJ-WDEREUQCSA-N 1 0 239.319 0.061 20 30 BCEDRO N#Cc1ccnc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000231942719 181157212 /nfs/dbraw/zinc/15/72/12/181157212.db2.gz IPHHBYWNHFHYSU-SECBINFHSA-N 1 0 203.249 0.512 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1C(=O)NCC[NH+]1CCC1 ZINC000346393799 354908920 /nfs/dbraw/zinc/90/89/20/354908920.db2.gz CRONBJDUPPYIOI-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000346416514 354951629 /nfs/dbraw/zinc/95/16/29/354951629.db2.gz SKTMDBNFMGOEKS-VWYCJHECSA-N 1 0 223.320 0.945 20 30 BCEDRO N#Cc1cnc(N[C@@H]2CCC[NH2+]C2)cn1 ZINC000070581546 181163009 /nfs/dbraw/zinc/16/30/09/181163009.db2.gz YNFIIGVMFQFSCO-MRVPVSSYSA-N 1 0 203.249 0.512 20 30 BCEDRO C[C@H](CO)[N@@H+]1CCCN(CCC#N)CC1 ZINC000346662362 355005751 /nfs/dbraw/zinc/00/57/51/355005751.db2.gz BRJUSAOFZWCDOG-LLVKDONJSA-N 1 0 211.309 0.289 20 30 BCEDRO N#Cc1ncccc1N1CCC[N@@H+](CCO)CC1 ZINC000131768493 181170345 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/nfs/dbraw/zinc/33/26/27/355332627.db2.gz CEEDKNYFXWDAPL-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]Cc1ncnn1C ZINC000639274341 355342321 /nfs/dbraw/zinc/34/23/21/355342321.db2.gz IYBZTMGWKIJSLW-UWVGGRQHSA-N 1 0 222.292 0.496 20 30 BCEDRO C[NH+](C)C[C@@H]1CCCN1c1ccnc(C#N)n1 ZINC000383799879 355349824 /nfs/dbraw/zinc/34/98/24/355349824.db2.gz SQOJWDFJRSWILA-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO CC(C)[C@H](C(=O)NCC1(C#N)CC1)[NH+](C)C ZINC000583543441 355519968 /nfs/dbraw/zinc/51/99/68/355519968.db2.gz NTNWXSMVTQVVON-SNVBAGLBSA-N 1 0 223.320 0.993 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639325677 355725329 /nfs/dbraw/zinc/72/53/29/355725329.db2.gz AFUPCVRMPGEKFH-HBNTYKKESA-N 1 0 226.320 0.570 20 30 BCEDRO C=CCNC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106511930 355777469 /nfs/dbraw/zinc/77/74/69/355777469.db2.gz XBOCUKZIZXVMJQ-LLVKDONJSA-N 1 0 240.351 0.108 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](Cc2cnc(N)nc2N)C1 ZINC000639349406 355790315 /nfs/dbraw/zinc/79/03/15/355790315.db2.gz XXRFZVWAWRKKRD-VIFPVBQESA-N 1 0 233.319 0.700 20 30 BCEDRO CC[NH+](CC)C[C@H](C)Nc1ncncc1C#N ZINC000383936505 355791344 /nfs/dbraw/zinc/79/13/44/355791344.db2.gz GICNIEMZBJSZTN-JTQLQIEISA-N 1 0 233.319 0.912 20 30 BCEDRO CC#CCC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000336034302 134059123 /nfs/dbraw/zinc/05/91/23/134059123.db2.gz FULRBYLBWLMLKM-GFCCVEGCSA-N 1 0 208.305 0.416 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)NC[C@@H](O)C1CC1 ZINC000329203735 355904199 /nfs/dbraw/zinc/90/41/99/355904199.db2.gz WLFDIRFSMTVSJW-GHMZBOCLSA-N 1 0 241.335 0.355 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)Cc1ccc(C#N)cn1 ZINC000583638693 355941058 /nfs/dbraw/zinc/94/10/58/355941058.db2.gz GTGNTEKVFWJSJZ-SNVBAGLBSA-N 1 0 235.287 0.128 20 30 BCEDRO O=C(NCC[NH+]1CCC1)N[C@H]1CCCOCC1 ZINC000329517276 355927217 /nfs/dbraw/zinc/92/72/17/355927217.db2.gz ZAURZLNTXQCWME-NSHDSACASA-N 1 0 241.335 0.765 20 30 BCEDRO C[C@H]([NH2+][C@H]1CCc2ncnn2C1)C(=O)NC1CC1 ZINC000329142830 355899817 /nfs/dbraw/zinc/89/98/17/355899817.db2.gz LORQSLIZJBBCDD-WPRPVWTQSA-N 1 0 249.318 0.690 20 30 BCEDRO CCN(CCC#N)CCN1CCOC[C@@H]1C ZINC000351496529 356002787 /nfs/dbraw/zinc/00/27/87/356002787.db2.gz XCFKABUECWISKU-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CCCOCCNC(=O)N[C@@H](C)C[NH3+] ZINC000417921663 191940652 /nfs/dbraw/zinc/94/06/52/191940652.db2.gz BGDFYDWWGVDMAT-VIFPVBQESA-N 1 0 215.297 0.226 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)NCCCCC#N ZINC000330605929 355958221 /nfs/dbraw/zinc/95/82/21/355958221.db2.gz ZMFGKJAARPXVNI-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO COCC[NH+]1CCN([C@H](C)CCC#N)CC1 ZINC000351635632 356038655 /nfs/dbraw/zinc/03/86/55/356038655.db2.gz XGUTUHZGRGXNBA-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO C=C(C)CC[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000351736564 356075816 /nfs/dbraw/zinc/07/58/16/356075816.db2.gz RHWWKAWBQZHBFS-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCCCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418103779 191971506 /nfs/dbraw/zinc/97/15/06/191971506.db2.gz WRPXQPSLEDZVDQ-JTQLQIEISA-N 1 0 227.308 0.240 20 30 BCEDRO C=CC[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000335915379 356153243 /nfs/dbraw/zinc/15/32/43/356153243.db2.gz XXSQTFMDOLLLKA-UHFFFAOYSA-N 1 0 218.322 0.186 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@@H](C)C[NH3+] ZINC000418242428 192003292 /nfs/dbraw/zinc/00/32/92/192003292.db2.gz AWKCTZFISXZYJR-AEJSXWLSSA-N 1 0 227.308 0.366 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418245447 192004392 /nfs/dbraw/zinc/00/43/92/192004392.db2.gz OWALDSUIGIRVLB-JTQLQIEISA-N 1 0 227.308 0.240 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@@H](C)C[NH3+] ZINC000418257467 192005552 /nfs/dbraw/zinc/00/55/52/192005552.db2.gz VBTJQQCZXCDJAG-AXFHLTTASA-N 1 0 241.335 0.709 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)CC[NH3+] ZINC000418258415 192006562 /nfs/dbraw/zinc/00/65/62/192006562.db2.gz VVTXFILDFWQBTF-MXWKQRLJSA-N 1 0 241.335 0.757 20 30 BCEDRO C=CCN(CCOC)C(=O)NCCC[NH2+]C ZINC000418283140 192014146 /nfs/dbraw/zinc/01/41/46/192014146.db2.gz ZZZGZJBWINPVFH-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C=CC(C)(C)CNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418259135 192006630 /nfs/dbraw/zinc/00/66/30/192006630.db2.gz WRTLSRUBWWOVFJ-JTQLQIEISA-N 1 0 241.335 0.486 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[NH2+]CCC ZINC000418262442 192009495 /nfs/dbraw/zinc/00/94/95/192009495.db2.gz ZVCDFTNJYFGNQY-MNOVXSKESA-N 1 0 241.335 0.629 20 30 BCEDRO C=C(CC)CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418268060 192010421 /nfs/dbraw/zinc/01/04/21/192010421.db2.gz RDDIRPXUYBCYIT-JTQLQIEISA-N 1 0 211.309 0.989 20 30 BCEDRO CC1CC(NC(=O)NC[C@H]2CN(C)CCO2)C1 ZINC000330014795 356160122 /nfs/dbraw/zinc/16/01/22/356160122.db2.gz NGVKEDATSUFFDY-ILDUYXDCSA-N 1 0 241.335 0.619 20 30 BCEDRO CN1CCO[C@H](C(=O)NC[C@@](C)(O)C2CC2)C1 ZINC000329933586 356146264 /nfs/dbraw/zinc/14/62/64/356146264.db2.gz BOWKMPPRLKWGPL-CMPLNLGQSA-N 1 0 242.319 0.435 20 30 BCEDRO N#Cc1cccc(C2(NC(=O)NCC[NH3+])CC2)c1 ZINC000418305861 192021538 /nfs/dbraw/zinc/02/15/38/192021538.db2.gz PJGVZVUUNHLXHG-UHFFFAOYSA-N 1 0 244.298 0.805 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NCC[NH2+]CC ZINC000418320603 192024382 /nfs/dbraw/zinc/02/43/82/192024382.db2.gz VNGDZVSTLMILNR-SNVBAGLBSA-N 1 0 229.324 0.222 20 30 BCEDRO C[C@H]1OCC[C@H]1NC(=O)NCC[N@H+](C)C1CC1 ZINC000330188385 356180656 /nfs/dbraw/zinc/18/06/56/356180656.db2.gz LCNOXSBTJJDIHP-MWLCHTKSSA-N 1 0 241.335 0.762 20 30 BCEDRO NC(=O)N[C@@H]1CCN(CC#Cc2ccccc2)C1 ZINC000276986441 181260838 /nfs/dbraw/zinc/26/08/38/181260838.db2.gz MNGSVXGERBLFDY-CYBMUJFWSA-N 1 0 243.310 0.781 20 30 BCEDRO C=CCCNC(=O)[C@H]1CN(CC)CCO1 ZINC000617615907 356186267 /nfs/dbraw/zinc/18/62/67/356186267.db2.gz BKSPUBJYEAJQPJ-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO CC(C)(CC#N)CNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418288944 192016026 /nfs/dbraw/zinc/01/60/26/192016026.db2.gz IVEYRRQWASQWSQ-MYJAWHEDSA-N 1 0 236.319 0.443 20 30 BCEDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)NCC(C)(C)CC#N ZINC000418292676 192017368 /nfs/dbraw/zinc/01/73/68/192017368.db2.gz OKSJNJOWAWNIDX-RKDXNWHRSA-N 1 0 226.324 0.961 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@@H](C)[NH2+]C[C@H]2C)C1=O ZINC000420337301 192214581 /nfs/dbraw/zinc/21/45/81/192214581.db2.gz LVAGVDYKXVGOTN-UTUOFQBUSA-N 1 0 237.347 0.456 20 30 BCEDRO C=CCN1CC[C@@H](N2[C@H](C)C[NH2+]C[C@@H]2C)C1=O ZINC000420305505 192208389 /nfs/dbraw/zinc/20/83/89/192208389.db2.gz GMVWWTZCDSUWJT-GRYCIOLGSA-N 1 0 237.347 0.456 20 30 BCEDRO C=CCN1CC[C@H](N(C)C2(C[NH3+])CCC2)C1=O ZINC000420325552 192230605 /nfs/dbraw/zinc/23/06/05/192230605.db2.gz IUNFSMILKQWFTR-NSHDSACASA-N 1 0 237.347 0.587 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](CC)C[C@@H](C)O)C1=O ZINC000352195652 134098586 /nfs/dbraw/zinc/09/85/86/134098586.db2.gz SFHJAFSMUOVKIS-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000420471075 192243925 /nfs/dbraw/zinc/24/39/25/192243925.db2.gz AETASCPILWZMRE-QWRGUYRKSA-N 1 0 246.376 0.809 20 30 BCEDRO C[C@H]1CC[N@H+](C)CCN1c1cncc(C#N)n1 ZINC000420603937 192248398 /nfs/dbraw/zinc/24/83/98/192248398.db2.gz QTVROXQBLUNOEG-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)c1cc(C#N)c[nH]1 ZINC000540516879 324903672 /nfs/dbraw/zinc/90/36/72/324903672.db2.gz RRGKRIPTHZMEQS-UHFFFAOYSA-N 1 0 234.303 0.910 20 30 BCEDRO C=C(C)C[N@H+](C)C[C@@H](O)CC1(O)CCOCC1 ZINC000639572619 356496482 /nfs/dbraw/zinc/49/64/82/356496482.db2.gz SCAYUYLGDAWICB-LBPRGKRZSA-N 1 0 243.347 0.787 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000333598836 134118557 /nfs/dbraw/zinc/11/85/57/134118557.db2.gz QCFSESWQQUKFEN-HBNTYKKESA-N 1 0 236.319 0.730 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@]23CCOC3)C1=O ZINC000421017625 192304750 /nfs/dbraw/zinc/30/47/50/192304750.db2.gz KJHWVGYHNQNADL-WCQYABFASA-N 1 0 236.315 0.638 20 30 BCEDRO C=CCOCCCC(=O)NCCCC[NH3+] ZINC000238017100 363480924 /nfs/dbraw/zinc/48/09/24/363480924.db2.gz KSVGCDHEDSJOPB-UHFFFAOYSA-N 1 0 214.309 0.824 20 30 BCEDRO CC#CC[N@H+](C)C[C@H](O)C[C@](C)(O)C1CC1 ZINC000639659503 356568661 /nfs/dbraw/zinc/56/86/61/356568661.db2.gz PHKLIWHGAGVHQH-OLZOCXBDSA-N 1 0 225.332 0.854 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000333830447 134139218 /nfs/dbraw/zinc/13/92/18/134139218.db2.gz LEAORCJULOVUDL-VPOLOUISSA-N 1 0 210.277 0.682 20 30 BCEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CC#N)C[C@@H]1C ZINC000336347887 134144291 /nfs/dbraw/zinc/14/42/91/134144291.db2.gz PEOYDDLFVTYAPN-VHSXEESVSA-N 1 0 209.293 0.841 20 30 BCEDRO C=CCCn1cc(CNCC2([NH3+])CCC2)nn1 ZINC000655937774 491098773 /nfs/dbraw/zinc/09/87/73/491098773.db2.gz FFGFKOMFQQOPKR-UHFFFAOYSA-N 1 0 235.335 0.825 20 30 BCEDRO N#CCC1(C[NH+]2CCC(C(N)=O)CC2)CC1 ZINC000088259239 356646607 /nfs/dbraw/zinc/64/66/07/356646607.db2.gz NNGGHXRSYWYQOI-UHFFFAOYSA-N 1 0 221.304 0.878 20 30 BCEDRO N#Cc1cc(C(=O)NCC[NH+]2CCC2)c[nH]1 ZINC000346742153 356648700 /nfs/dbraw/zinc/64/87/00/356648700.db2.gz UUVBMFSXRLMYNC-UHFFFAOYSA-N 1 0 218.260 0.322 20 30 BCEDRO C=C(C)CNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000578141413 366322159 /nfs/dbraw/zinc/32/21/59/366322159.db2.gz KIEJYVPCIBLVNA-UHFFFAOYSA-N 1 0 236.319 0.751 20 30 BCEDRO Cc1ncccc1C[NH2+]CCn1cnc(C#N)n1 ZINC000353040946 134159324 /nfs/dbraw/zinc/15/93/24/134159324.db2.gz WFNPETKHJAPAFD-UHFFFAOYSA-N 1 0 242.286 0.643 20 30 BCEDRO C=CCC[N@H+]1CCC[C@](O)(CN(C)C)C1 ZINC000639762956 356687969 /nfs/dbraw/zinc/68/79/69/356687969.db2.gz OYJOTKOOGODISA-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H](C(=O)NC)C1 ZINC000305096272 134159840 /nfs/dbraw/zinc/15/98/40/134159840.db2.gz SWNFNGJTIRZOBJ-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO CCn1ccnc1C[NH2+]C1CCN(CC#N)CC1 ZINC000610007910 356690347 /nfs/dbraw/zinc/69/03/47/356690347.db2.gz NGNFTNKHIHETJI-UHFFFAOYSA-N 1 0 247.346 0.981 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CCC(=O)OC)C(C)C ZINC000112626936 134161173 /nfs/dbraw/zinc/16/11/73/134161173.db2.gz PDJVUISGEXTKPN-UHFFFAOYSA-N 1 0 242.319 0.562 20 30 BCEDRO C[C@H](C#N)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353877582 134165480 /nfs/dbraw/zinc/16/54/80/134165480.db2.gz VPLLEVIEUBSFCT-KOLCDFICSA-N 1 0 221.304 0.889 20 30 BCEDRO CCOC[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000113938118 134161755 /nfs/dbraw/zinc/16/17/55/134161755.db2.gz IZIHXILGVLGTKC-NSHDSACASA-N 1 0 239.319 0.375 20 30 BCEDRO C=CCOCC(=O)NCC(C)(C)[NH+](C)C ZINC000354069065 134166522 /nfs/dbraw/zinc/16/65/22/134166522.db2.gz XAOWLGOBTUUCCA-UHFFFAOYSA-N 1 0 214.309 0.645 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000354627892 134169545 /nfs/dbraw/zinc/16/95/45/134169545.db2.gz APNBFSHJNLLKSX-YPMHNXCESA-N 1 0 240.347 0.866 20 30 BCEDRO CC[C@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385003984 356846336 /nfs/dbraw/zinc/84/63/36/356846336.db2.gz WDANSKYROCMDGF-ZNSHCXBVSA-N 1 0 221.304 0.555 20 30 BCEDRO C=CCC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639854824 356858587 /nfs/dbraw/zinc/85/85/87/356858587.db2.gz JPEXUKXIFZWPCT-LLVKDONJSA-N 1 0 222.292 0.555 20 30 BCEDRO Cc1cc(N2CC[C@H](C(N)=O)C2)c(C#N)cn1 ZINC000399522556 356968276 /nfs/dbraw/zinc/96/82/76/356968276.db2.gz PDZFLYNWUVUSAI-VIFPVBQESA-N 1 0 230.271 0.573 20 30 BCEDRO Cc1cc(N2CC[C@@H](C(N)=O)C2)c(C#N)cn1 ZINC000399522544 356968361 /nfs/dbraw/zinc/96/83/61/356968361.db2.gz PDZFLYNWUVUSAI-SECBINFHSA-N 1 0 230.271 0.573 20 30 BCEDRO C=CCNC(=O)CN1CC[N@@H+](C)[C@@H](C)[C@@H]1C ZINC000356976829 134181573 /nfs/dbraw/zinc/18/15/73/134181573.db2.gz BUCDOPYHUVPVIO-QWRGUYRKSA-N 1 0 225.336 0.313 20 30 BCEDRO CC1=CC[N@H+](CCNC(=O)[C@@H](C)C#N)CC1 ZINC000358072372 134186500 /nfs/dbraw/zinc/18/65/00/134186500.db2.gz YYURTAYVSOIZSY-NSHDSACASA-N 1 0 221.304 0.914 20 30 BCEDRO C=CCCCC[N@H+]1CCN(C)C[C@H]1CO ZINC000639867929 357002205 /nfs/dbraw/zinc/00/22/05/357002205.db2.gz QTNUGKMZHLMRCC-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CC[N@@H+](CCCS(N)(=O)=O)C1CC1 ZINC000357525641 134183519 /nfs/dbraw/zinc/18/35/19/134183519.db2.gz BBYSTIFWYVSTCD-UHFFFAOYSA-N 1 0 218.322 0.315 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1ccc(N)nc1 ZINC000424075978 491108865 /nfs/dbraw/zinc/10/88/65/491108865.db2.gz KRWNHIYHGWCUND-SECBINFHSA-N 1 0 233.275 0.623 20 30 BCEDRO COCC[N@H+](C)C[C@@H](O)CN(C)C[C@@H](C)C#N ZINC000393850585 357303250 /nfs/dbraw/zinc/30/32/50/357303250.db2.gz RCRDUJNWTHTUST-NWDGAFQWSA-N 1 0 243.351 0.017 20 30 BCEDRO CC[C@H](C(=O)NCC(C)(C)C#N)[NH+](C)C ZINC000359644654 134196328 /nfs/dbraw/zinc/19/63/28/134196328.db2.gz FGDRPMRTYHQINO-SECBINFHSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000359671788 134196670 /nfs/dbraw/zinc/19/66/70/134196670.db2.gz AELCTDPXABBUFB-ONGXEEELSA-N 1 0 241.360 0.700 20 30 BCEDRO CC[NH+](CC)CC(=O)NCC1(C#N)CC1 ZINC000582713238 357370015 /nfs/dbraw/zinc/37/00/15/357370015.db2.gz HSMHFTJUTGKWJL-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO CN1CC[NH2+]C[C@H]1CNc1cc(C#N)ccn1 ZINC000394729654 357371512 /nfs/dbraw/zinc/37/15/12/357371512.db2.gz GQFZSFRBWRQROA-NSHDSACASA-N 1 0 231.303 0.269 20 30 BCEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)NCCCC#N ZINC000582723203 357372236 /nfs/dbraw/zinc/37/22/36/357372236.db2.gz ATGFTYGSIAWAHZ-IUCAKERBSA-N 1 0 212.297 0.715 20 30 BCEDRO O=C(CC[NH2+]CC#CCO)Nc1ccccc1 ZINC000582666330 357358647 /nfs/dbraw/zinc/35/86/47/357358647.db2.gz NXGKWTDUBNAJCV-UHFFFAOYSA-N 1 0 232.283 0.601 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)CCCC[NH+](C)C ZINC000582676698 357364857 /nfs/dbraw/zinc/36/48/57/357364857.db2.gz HTXPPAXEIAEFEJ-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO CC[N@H+](CC[C@H]1CCNC1=O)C[C@@H](C)C#N ZINC000395840065 357457423 /nfs/dbraw/zinc/45/74/23/357457423.db2.gz HGYRBOQCNBNTHO-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCCC(=O)NC[C@@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361504057 134205965 /nfs/dbraw/zinc/20/59/65/134205965.db2.gz RTBNEJBWJSHYFX-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@](C)(C(N)=O)C1 ZINC000361554341 134206498 /nfs/dbraw/zinc/20/64/98/134206498.db2.gz SJZDBRCMQYHQHI-JQWIXIFHSA-N 1 0 226.320 0.511 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000189306635 357630693 /nfs/dbraw/zinc/63/06/93/357630693.db2.gz XBKDUBIEARRAJS-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CC[N@@H+](CCOC)CC1(O)CCOCC1 ZINC000361997777 134208649 /nfs/dbraw/zinc/20/86/49/134208649.db2.gz XHWCSLXJYJZLHU-UHFFFAOYSA-N 1 0 229.320 0.662 20 30 BCEDRO C=CCCOCCNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000189310405 357631444 /nfs/dbraw/zinc/63/14/44/357631444.db2.gz KLQOYAQLNOCVEY-WDEREUQCSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@H](O)COC(C)C ZINC000189424896 357641061 /nfs/dbraw/zinc/64/10/61/357641061.db2.gz VGXXRTGSVREREQ-LBPRGKRZSA-N 1 0 231.336 0.907 20 30 BCEDRO CCN(CCC#N)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362606674 134212667 /nfs/dbraw/zinc/21/26/67/134212667.db2.gz QNRJCEXFKGOHFP-QWRGUYRKSA-N 1 0 223.320 0.946 20 30 BCEDRO Cn1cc(C[NH2+]CCC[S@@](C)=O)cc1C#N ZINC000189598087 357644762 /nfs/dbraw/zinc/64/47/62/357644762.db2.gz WTXSVZXWIJNAJY-MRXNPFEDSA-N 1 0 239.344 0.755 20 30 BCEDRO CC(C)(C#N)CCCC[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000232530417 357664220 /nfs/dbraw/zinc/66/42/20/357664220.db2.gz RHRQPHRNRWAWML-PHIMTYICSA-N 1 0 226.320 0.744 20 30 BCEDRO CCCN(CC#N)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000362584235 134211897 /nfs/dbraw/zinc/21/18/97/134211897.db2.gz SFASDHWUSGCVJN-GHMZBOCLSA-N 1 0 223.320 0.946 20 30 BCEDRO C[C@H]1C(=O)NCCC[N@H+]1CCCSCC#N ZINC000189338587 357633331 /nfs/dbraw/zinc/63/33/31/357633331.db2.gz UUOWGFWEVLEJHV-JTQLQIEISA-N 1 0 241.360 0.844 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000367832680 134216540 /nfs/dbraw/zinc/21/65/40/134216540.db2.gz OTECJBSVRRDCCG-JTQLQIEISA-N 1 0 244.360 0.624 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)C1(CO)CCOCC1 ZINC000191029853 357743927 /nfs/dbraw/zinc/74/39/27/357743927.db2.gz GGZJWGDHDCCHHA-GFCCVEGCSA-N 1 0 243.347 0.787 20 30 BCEDRO C=CC[N@@H+](CCCNC(C)=O)CCOC ZINC000191076794 357747339 /nfs/dbraw/zinc/74/73/39/357747339.db2.gz BBXSUZSIJYMJTA-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=CC[N@@H+](CCOC)[C@H](C)CN1CCOCC1 ZINC000191140410 357753128 /nfs/dbraw/zinc/75/31/28/357753128.db2.gz NWARASPTQUHCNB-CYBMUJFWSA-N 1 0 242.363 0.842 20 30 BCEDRO C[C@H]1COCCN1CC[NH+]1CCC(C#N)CC1 ZINC000191465807 357771905 /nfs/dbraw/zinc/77/19/05/357771905.db2.gz HISLHUQCSKUQNE-LBPRGKRZSA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000369406237 134222433 /nfs/dbraw/zinc/22/24/33/134222433.db2.gz IYNUERSUBLGKKK-WCQYABFASA-N 1 0 238.331 0.526 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC[N@@H+](CC)CC1 ZINC000118826959 134223264 /nfs/dbraw/zinc/22/32/64/134223264.db2.gz ZUGZALKZDCUVNV-LBPRGKRZSA-N 1 0 239.363 0.705 20 30 BCEDRO COCCC[N@H+](C)CCNc1ccnc(C#N)n1 ZINC000583273223 357786370 /nfs/dbraw/zinc/78/63/70/357786370.db2.gz JTVXTPDBIJOPRJ-UHFFFAOYSA-N 1 0 249.318 0.150 20 30 BCEDRO CO[C@H]1CC[N@H+](CCC(=O)N(C)CCC#N)C1 ZINC000234795310 357829104 /nfs/dbraw/zinc/82/91/04/357829104.db2.gz CCMVAWATOBPSPX-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000192664405 357843103 /nfs/dbraw/zinc/84/31/03/357843103.db2.gz PWBACDUYAXZKOY-NSHDSACASA-N 1 0 223.276 0.237 20 30 BCEDRO CC[N@H+](CCO)[C@@H](C)C(=O)N(C)CCC#N ZINC000120017781 134227060 /nfs/dbraw/zinc/22/70/60/134227060.db2.gz UNAHVRAVSIIBDW-JTQLQIEISA-N 1 0 227.308 0.061 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000120289628 134228654 /nfs/dbraw/zinc/22/86/54/134228654.db2.gz VOGWUQAEEVETBK-JTQLQIEISA-N 1 0 246.376 0.965 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@]1(C)CCO[C@H]1C1CC1 ZINC000371716991 134229396 /nfs/dbraw/zinc/22/93/96/134229396.db2.gz PYIFPLAKZMTORU-QWHCGFSZSA-N 1 0 238.331 0.836 20 30 BCEDRO NC(=[NH2+])NCc1cccc(Cn2cccn2)c1 ZINC000303253064 134233032 /nfs/dbraw/zinc/23/30/32/134233032.db2.gz CEGPODMPJDDCMK-UHFFFAOYSA-N 1 0 229.287 0.705 20 30 BCEDRO C#CCC[N@H+]1CC[C@]2(C1)CCCN(C)C2=O ZINC000372497064 134232112 /nfs/dbraw/zinc/23/21/12/134232112.db2.gz RWONAIJHKOIHLY-ZDUSSCGKSA-N 1 0 220.316 0.954 20 30 BCEDRO C=CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000102803592 357922262 /nfs/dbraw/zinc/92/22/62/357922262.db2.gz GDCANYIAAZEDJO-UHFFFAOYSA-N 1 0 237.307 0.752 20 30 BCEDRO C#C[C@H](NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C(C)C ZINC000374058599 134235680 /nfs/dbraw/zinc/23/56/80/134235680.db2.gz UNSLCVHHFCUVGY-STQMWFEESA-N 1 0 249.358 0.150 20 30 BCEDRO C=C(CC)CNc1cc[nH+]cc1C(N)=O ZINC000583793664 357947793 /nfs/dbraw/zinc/94/77/93/357947793.db2.gz VOPNWFOPOYFJNZ-UHFFFAOYSA-N 1 0 205.261 0.981 20 30 BCEDRO COCCN(CCC#N)C(=O)C[N@H+](C)C(C)C ZINC000610491957 357954264 /nfs/dbraw/zinc/95/42/64/357954264.db2.gz GCHHUCXYSDBAQI-UHFFFAOYSA-N 1 0 241.335 0.715 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccnc(OC)n1 ZINC000321514611 259474841 /nfs/dbraw/zinc/47/48/41/259474841.db2.gz WMCQDWFKIZIOCC-NSHDSACASA-N 1 0 237.303 0.902 20 30 BCEDRO C=CC[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639946002 357967863 /nfs/dbraw/zinc/96/78/63/357967863.db2.gz OLJUELKSOSHRTM-GHMZBOCLSA-N 1 0 208.261 0.157 20 30 BCEDRO CN(CC(N)=O)Cc1cnc2ccc(C#N)cn12 ZINC000349861570 357986438 /nfs/dbraw/zinc/98/64/38/357986438.db2.gz PKYXPBGZGIVXMQ-UHFFFAOYSA-N 1 0 243.270 0.123 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NCC(C)(C)[NH+](C)C ZINC000350103987 358032933 /nfs/dbraw/zinc/03/29/33/358032933.db2.gz LITPYPSPHUWYNU-UHFFFAOYSA-N 1 0 248.330 0.967 20 30 BCEDRO C[C@H](C[NH+](C)C)NC(=O)C1(C#N)CCOCC1 ZINC000168793622 134247794 /nfs/dbraw/zinc/24/77/94/134247794.db2.gz USHPYOWFOROYOK-SNVBAGLBSA-N 1 0 239.319 0.373 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000262572821 535389140 /nfs/dbraw/zinc/38/91/40/535389140.db2.gz ZJJAROXQZHBQML-UHFFFAOYSA-N 1 0 238.291 0.535 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1noc(C)n1 ZINC000262519993 535390082 /nfs/dbraw/zinc/39/00/82/535390082.db2.gz HZGCCHKBUSUHFM-UHFFFAOYSA-N 1 0 211.269 0.535 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](CCO)C1 ZINC000051895486 358090675 /nfs/dbraw/zinc/09/06/75/358090675.db2.gz VULGVYAYKSQXCL-NSHDSACASA-N 1 0 226.320 0.383 20 30 BCEDRO CC[N@@H+]1CCN(c2cncc(C#N)n2)[C@@H](C)C1 ZINC000584583902 358096622 /nfs/dbraw/zinc/09/66/22/358096622.db2.gz QTIKWWZOIXFSCR-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO Cc1nccc(C[NH+]=C(N(C)C)N(C)C)n1 ZINC000170909366 134255053 /nfs/dbraw/zinc/25/50/53/134255053.db2.gz PEGZXTKJVMTOKB-UHFFFAOYSA-N 1 0 221.308 0.764 20 30 BCEDRO C=CCNC(=O)CN1CCC([NH2+]C(C)C)CC1 ZINC000171691752 134259259 /nfs/dbraw/zinc/25/92/59/134259259.db2.gz YJNNHDAVIGJJGT-UHFFFAOYSA-N 1 0 239.363 0.751 20 30 BCEDRO C=CC[NH+]1CCC(Nc2ccnc(C#N)n2)CC1 ZINC000584869771 358207506 /nfs/dbraw/zinc/20/75/06/358207506.db2.gz XOYJRYKUXUNMFS-UHFFFAOYSA-N 1 0 243.314 0.832 20 30 BCEDRO C=C(C)CN(C)C[C@@H](C)S(C)(=O)=O ZINC000450695343 202236003 /nfs/dbraw/zinc/23/60/03/202236003.db2.gz FAOPJTZKUBZQCR-SECBINFHSA-N 1 0 205.323 0.927 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H](C)[C@@H](C)CO ZINC000450732509 202248751 /nfs/dbraw/zinc/24/87/51/202248751.db2.gz ICSJYTGFJMKLPS-AXFHLTTASA-N 1 0 201.310 0.920 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CCC[N@@H+](C2CC2)CC1 ZINC000172542730 134268132 /nfs/dbraw/zinc/26/81/32/134268132.db2.gz DTPRNVRETLIJHG-GFCCVEGCSA-N 1 0 249.358 0.294 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(C)C1C[NH2+]C1 ZINC000085258250 134273641 /nfs/dbraw/zinc/27/36/41/134273641.db2.gz WFLBIECRLZLCML-UHFFFAOYSA-N 1 0 223.320 0.091 20 30 BCEDRO CCNC(=[NH2+])NCCc1nnc(C)s1 ZINC000290506297 535423387 /nfs/dbraw/zinc/42/33/87/535423387.db2.gz ICHQYEJYKAPAHY-UHFFFAOYSA-N 1 0 213.310 0.313 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000174254667 134280296 /nfs/dbraw/zinc/28/02/96/134280296.db2.gz KRHDBMINUYSRRD-UHFFFAOYSA-N 1 0 239.319 0.730 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425056418 358515816 /nfs/dbraw/zinc/51/58/16/358515816.db2.gz KIGMBQPRULIXCD-GARJFASQSA-N 1 0 221.304 0.699 20 30 BCEDRO CC(C)[N@@H+]1CC[C@@H](CNC(=O)CC#N)C1 ZINC000045136872 358418054 /nfs/dbraw/zinc/41/80/54/358418054.db2.gz JYQURWPDGKENDV-JTQLQIEISA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000300311127 358434153 /nfs/dbraw/zinc/43/41/53/358434153.db2.gz RHVRQEPSGXBAHI-AAEUAGOBSA-N 1 0 238.331 0.361 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044826003 358556550 /nfs/dbraw/zinc/55/65/50/358556550.db2.gz ZGOWJQUMLVECOO-GMTAPVOTSA-N 1 0 221.304 0.889 20 30 BCEDRO CC#CC[N@H+]1CC[C@@H](N2CC[NH+](CC)CC2)C1 ZINC000130424064 358624661 /nfs/dbraw/zinc/62/46/61/358624661.db2.gz PXLJAUNATBSQAA-CQSZACIVSA-N 1 0 235.375 0.722 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613664167 363614310 /nfs/dbraw/zinc/61/43/10/363614310.db2.gz DIRBTLFZODHPHY-WZRBSPASSA-N 1 0 240.347 0.912 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CCCC1 ZINC000052858241 358797097 /nfs/dbraw/zinc/79/70/97/358797097.db2.gz DPFHKTZVQDOEEZ-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NCCN1CCOCC1 ZINC000136175520 358866579 /nfs/dbraw/zinc/86/65/79/358866579.db2.gz ZHQAAZRFJQCIHN-GFCCVEGCSA-N 1 0 239.319 0.375 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000136197307 358867739 /nfs/dbraw/zinc/86/77/39/358867739.db2.gz DKHBPJGDGVDWJQ-ZYHUDNBSSA-N 1 0 223.320 0.994 20 30 BCEDRO CC(C)C[NH+]1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000055079845 358881935 /nfs/dbraw/zinc/88/19/35/358881935.db2.gz KQKFTKQRSDNQSB-LLVKDONJSA-N 1 0 223.320 0.946 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H](C)CC ZINC000060575181 358927129 /nfs/dbraw/zinc/92/71/29/358927129.db2.gz RDYCWUSGKJIKID-SECBINFHSA-N 1 0 227.308 0.729 20 30 BCEDRO N#CC1CC[NH+](CCCC(=O)NC(N)=O)CC1 ZINC000060893016 358930236 /nfs/dbraw/zinc/93/02/36/358930236.db2.gz WQTPQVQQJBHUMH-UHFFFAOYSA-N 1 0 238.291 0.197 20 30 BCEDRO COCC#CC[NH+]1CCC(CC(=O)OC)CC1 ZINC000611194642 359119068 /nfs/dbraw/zinc/11/90/68/359119068.db2.gz LUIJQLJGHFMMRO-UHFFFAOYSA-N 1 0 239.315 0.911 20 30 BCEDRO CCOC(=O)CC[N@H+](C)CC#CCOC ZINC000611194650 359119210 /nfs/dbraw/zinc/11/92/10/359119210.db2.gz MXQKDYKAGLCJMS-UHFFFAOYSA-N 1 0 213.277 0.521 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247500768 359227984 /nfs/dbraw/zinc/22/79/84/359227984.db2.gz XOYLGRCCYBSHIN-DGCLKSJQSA-N 1 0 238.331 0.790 20 30 BCEDRO CC#CC[N@H+]1CC[C@@H](COCCOC)C1 ZINC000075951296 359247630 /nfs/dbraw/zinc/24/76/30/359247630.db2.gz DNYFGYUEQUYVBK-GFCCVEGCSA-N 1 0 211.305 0.995 20 30 BCEDRO CN(C)C(=O)[C@@H]1CCC[N@@H+]1CCCC#N ZINC000248033667 359250933 /nfs/dbraw/zinc/25/09/33/359250933.db2.gz UJOKOCJJPRWAGG-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO C[C@@H]1[C@H](C)N(c2ccc(C#N)nn2)CC[N@H+]1C ZINC000611299089 359304405 /nfs/dbraw/zinc/30/44/05/359304405.db2.gz NALMGINEPTZXEQ-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO COCC#CCN1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000611432596 359364140 /nfs/dbraw/zinc/36/41/40/359364140.db2.gz UFWQZDHVGOCPNK-VXGBXAGGSA-N 1 0 242.388 0.614 20 30 BCEDRO COCC#CCN1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000611432594 359364161 /nfs/dbraw/zinc/36/41/61/359364161.db2.gz UFWQZDHVGOCPNK-NWDGAFQWSA-N 1 0 242.388 0.614 20 30 BCEDRO N#CC1(CN2CC[NH+]([C@H]3CCC[C@@H]3O)CC2)CC1 ZINC000611429583 359367441 /nfs/dbraw/zinc/36/74/41/359367441.db2.gz UJJNNEATEAUFIP-STQMWFEESA-N 1 0 249.358 0.821 20 30 BCEDRO N#CCN1CCC([NH2+]C[C@H]2CCCOC2)CC1 ZINC000611439183 359371475 /nfs/dbraw/zinc/37/14/75/359371475.db2.gz KCRRGVQYNGRJJU-GFCCVEGCSA-N 1 0 237.347 0.991 20 30 BCEDRO C[NH+](C)[C@@H](CNC(=O)C(C)(C)C#N)C1CC1 ZINC000079048659 359373600 /nfs/dbraw/zinc/37/36/00/359373600.db2.gz ZAUIWBGKTNBJCI-JTQLQIEISA-N 1 0 223.320 0.993 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000611471876 359376568 /nfs/dbraw/zinc/37/65/68/359376568.db2.gz CSZFBSRZHYITJN-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CSC[C@@H]1C ZINC000285880725 359327846 /nfs/dbraw/zinc/32/78/46/359327846.db2.gz JJVXZTLPTKBDTE-DTWKUNHWSA-N 1 0 214.334 0.630 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@@H+](CC)CCC ZINC000611802880 359450960 /nfs/dbraw/zinc/45/09/60/359450960.db2.gz PYXJKNBLGWUVJE-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000424055923 192857235 /nfs/dbraw/zinc/85/72/35/192857235.db2.gz GOKGKBBUJJZWKW-MXWKQRLJSA-N 1 0 224.304 0.527 20 30 BCEDRO CCn1nccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424059488 192857569 /nfs/dbraw/zinc/85/75/69/192857569.db2.gz BSHISHYARSZMHJ-SECBINFHSA-N 1 0 235.291 0.863 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000612102898 359649474 /nfs/dbraw/zinc/64/94/74/359649474.db2.gz GAYYDBZIKVLZGQ-BREBYQMCSA-N 1 0 238.331 0.665 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](O)COCCOC ZINC000450817695 202276350 /nfs/dbraw/zinc/27/63/50/202276350.db2.gz GLDIEBNHIYNIKK-LLVKDONJSA-N 1 0 217.309 0.518 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(c2ncncc2C#N)C1 ZINC000578438445 366567761 /nfs/dbraw/zinc/56/77/61/366567761.db2.gz CYFTZPFMQMIKTI-JTQLQIEISA-N 1 0 231.303 0.736 20 30 BCEDRO C[NH+](C)CC(=O)N1CCC[C@@](C)(C#N)C1 ZINC000612397350 359828776 /nfs/dbraw/zinc/82/87/76/359828776.db2.gz GSDAWFAHZDQZSB-NSHDSACASA-N 1 0 209.293 0.700 20 30 BCEDRO C=CCC[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000451144333 202365211 /nfs/dbraw/zinc/36/52/11/202365211.db2.gz KDUATPXWXXEXKE-RYUDHWBXSA-N 1 0 210.321 0.967 20 30 BCEDRO CC#CC[N@H+]1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000451128586 202360518 /nfs/dbraw/zinc/36/05/18/202360518.db2.gz BWSLQMZREPWTAJ-NSHDSACASA-N 1 0 237.299 0.521 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000613967813 363693013 /nfs/dbraw/zinc/69/30/13/363693013.db2.gz KNHFSSQABNFFPJ-QWRGUYRKSA-N 1 0 226.320 0.332 20 30 BCEDRO N#CCC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000613946487 363696071 /nfs/dbraw/zinc/69/60/71/363696071.db2.gz ZVSNUKHSFYILGQ-JTQLQIEISA-N 1 0 207.277 0.501 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000614012236 363700352 /nfs/dbraw/zinc/70/03/52/363700352.db2.gz XMGBAOJGYKGFGQ-YPMHNXCESA-N 1 0 240.347 0.866 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CCN2CCCC2=O)C1 ZINC000578659566 366622365 /nfs/dbraw/zinc/62/23/65/366622365.db2.gz WRDIENDOSVSDLO-QWRGUYRKSA-N 1 0 221.304 0.891 20 30 BCEDRO N#CCCNC[C@H]1CCC[N@H+]1CCCO ZINC000578868268 366661409 /nfs/dbraw/zinc/66/14/09/366661409.db2.gz WQRWXTUVRAFLEM-LLVKDONJSA-N 1 0 211.309 0.336 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCn1cccn1 ZINC000451601571 202445938 /nfs/dbraw/zinc/44/59/38/202445938.db2.gz ARAWTHHHCFGLBK-MNOVXSKESA-N 1 0 207.277 0.816 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)N(C)C ZINC000451671368 202460336 /nfs/dbraw/zinc/46/03/36/202460336.db2.gz FTDDXWYNARSVMA-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO COc1ccc([C@H](C)[NH2+]CC(=O)NCC#N)cc1 ZINC000090340342 360069883 /nfs/dbraw/zinc/06/98/83/360069883.db2.gz DJCZYQDXQBWHTF-JTQLQIEISA-N 1 0 247.298 0.986 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000092842781 360202912 /nfs/dbraw/zinc/20/29/12/360202912.db2.gz JBOKVPKLWLESBY-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO N#Cc1csc(C[N@@H+](CCO)CCCO)c1 ZINC000093324157 360230399 /nfs/dbraw/zinc/23/03/99/360230399.db2.gz HSLCFUWOJHCEMV-UHFFFAOYSA-N 1 0 240.328 0.796 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000628748661 360631185 /nfs/dbraw/zinc/63/11/85/360631185.db2.gz CMLLKFYQMQWRJW-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000628752372 360632306 /nfs/dbraw/zinc/63/23/06/360632306.db2.gz XFVAVQQZJVJFTF-AAEUAGOBSA-N 1 0 240.347 0.772 20 30 BCEDRO N#CCSCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000063114946 360739030 /nfs/dbraw/zinc/73/90/30/360739030.db2.gz DYPXODQTTZNGTE-VIFPVBQESA-N 1 0 239.344 0.596 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CC#CCOC ZINC000309572245 491151974 /nfs/dbraw/zinc/15/19/74/491151974.db2.gz NYEAJYLCGONDDH-MNOVXSKESA-N 1 0 224.304 0.141 20 30 BCEDRO C=C(C)C(C)(C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629166026 360915324 /nfs/dbraw/zinc/91/53/24/360915324.db2.gz GSEJAAGPBUGAAQ-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)N[C@@H]1CCC[N@H+](C)[C@@H]1C ZINC000416457502 200798616 /nfs/dbraw/zinc/79/86/16/200798616.db2.gz OHPSWOKHWSHUTE-OPRDCNLKSA-N 1 0 245.348 0.301 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)C[NH3+] ZINC000424203437 200887237 /nfs/dbraw/zinc/88/72/37/200887237.db2.gz BWNBPTDFOGATRB-GUBZILKMSA-N 1 0 212.293 0.289 20 30 BCEDRO C[C@@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424471247 200928450 /nfs/dbraw/zinc/92/84/50/200928450.db2.gz SAVOMHVZXFEXEM-LPEHRKFASA-N 1 0 224.308 0.667 20 30 BCEDRO CCCC[NH+]1CCN(C(=O)CC#N)CC1 ZINC000574999932 361247348 /nfs/dbraw/zinc/24/73/48/361247348.db2.gz PCZZBDXNBMOYGQ-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640474028 361244422 /nfs/dbraw/zinc/24/44/22/361244422.db2.gz NRVRGPHZHFRNQN-DGCLKSJQSA-N 1 0 238.331 0.478 20 30 BCEDRO C[C@H](F)CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000579103481 366710153 /nfs/dbraw/zinc/71/01/53/366710153.db2.gz NEXSLGWZLPMBEU-QWRGUYRKSA-N 1 0 231.315 0.530 20 30 BCEDRO C=C[C@H](C)[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000162308491 361343893 /nfs/dbraw/zinc/34/38/93/361343893.db2.gz RQCJHXPVGKIYAO-IUCAKERBSA-N 1 0 205.323 0.974 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@H+]1CC=CCC1 ZINC000614258367 363772428 /nfs/dbraw/zinc/77/24/28/363772428.db2.gz ALQLRPLDLAHEGW-LBPRGKRZSA-N 1 0 224.304 0.302 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC000614340545 363788507 /nfs/dbraw/zinc/78/85/07/363788507.db2.gz KYSGPLNPAKPJTB-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000614392818 363789228 /nfs/dbraw/zinc/78/92/28/363789228.db2.gz PXNDUCJDTMHEFD-CYBMUJFWSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)CCC[NH+]1CCCC1 ZINC000614392819 363789426 /nfs/dbraw/zinc/78/94/26/363789426.db2.gz PXNDUCJDTMHEFD-ZDUSSCGKSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@H](C)C(=O)OC ZINC000429706622 201128378 /nfs/dbraw/zinc/12/83/78/201128378.db2.gz GSTLEZXDVUGXJZ-LLVKDONJSA-N 1 0 228.336 0.988 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000429773777 201130759 /nfs/dbraw/zinc/13/07/59/201130759.db2.gz RJVMMVWFQFAXLH-SRVKXCTJSA-N 1 0 240.347 0.818 20 30 BCEDRO COCCN1CC[C@H]([NH2+]CC2(CC#N)CC2)C1 ZINC000430001618 201138989 /nfs/dbraw/zinc/13/89/89/201138989.db2.gz DQCRTBFJTGKIOX-LBPRGKRZSA-N 1 0 237.347 0.991 20 30 BCEDRO C=CCNC(=O)CN1C[C@@]2(C)C[NH2+]C[C@@]2(C)C1 ZINC000629584338 361467902 /nfs/dbraw/zinc/46/79/02/361467902.db2.gz OXXYCDSGOVLWMF-BETUJISGSA-N 1 0 237.347 0.220 20 30 BCEDRO C[N@H+](CCC(=O)NC(N)=O)CC(C)(C)C#N ZINC000433303579 201179110 /nfs/dbraw/zinc/17/91/10/201179110.db2.gz LILCEHQZTDOUAI-UHFFFAOYSA-N 1 0 226.280 0.053 20 30 BCEDRO CNC(=O)NC(=O)CC[N@H+](C)CC(C)(C)C#N ZINC000433303189 201180300 /nfs/dbraw/zinc/18/03/00/201180300.db2.gz HGSHAIXKJSAMKD-UHFFFAOYSA-N 1 0 240.307 0.314 20 30 BCEDRO CN(C[C@@H](O)C[N@H+](C)C1CC1)CC(C)(C)C#N ZINC000433318041 201182562 /nfs/dbraw/zinc/18/25/62/201182562.db2.gz MVEDPDFPSIFPNQ-GFCCVEGCSA-N 1 0 239.363 0.923 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000431826013 192927706 /nfs/dbraw/zinc/92/77/06/192927706.db2.gz YOCAFEFCRRCQPH-AAEUAGOBSA-N 1 0 240.347 0.724 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)NCCC[NH+](C)C ZINC000448560787 201273654 /nfs/dbraw/zinc/27/36/54/201273654.db2.gz CEUATWOJDQKHGU-UHFFFAOYSA-N 1 0 234.303 0.578 20 30 BCEDRO C=C(C)CS(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000435443407 201272256 /nfs/dbraw/zinc/27/22/56/201272256.db2.gz QLAOSDWWGXXJIM-UHFFFAOYSA-N 1 0 246.376 0.920 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1COC[C@H]1OCC ZINC000451944262 202501581 /nfs/dbraw/zinc/50/15/81/202501581.db2.gz NPWJBXBJPRKFQS-GMTAPVOTSA-N 1 0 242.319 0.071 20 30 BCEDRO CC#CCCN1CC[NH+](CC(C)(C)O)CC1 ZINC000155383376 201329004 /nfs/dbraw/zinc/32/90/04/201329004.db2.gz BAFJKFQRKFDSNF-UHFFFAOYSA-N 1 0 224.348 0.788 20 30 BCEDRO Cc1cc(C#N)ccc1C[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000614401967 363806980 /nfs/dbraw/zinc/80/69/80/363806980.db2.gz FBWNOPJVBQUCSY-OKILXGFUSA-N 1 0 246.310 0.794 20 30 BCEDRO C[C@H]1CN(CC2(CC#N)CC2)CC(=O)N1 ZINC000387340019 363839160 /nfs/dbraw/zinc/83/91/60/363839160.db2.gz TWPSHJJOBANJII-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO C[C@H]1CS(=O)(=O)C[C@H]1[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000329188684 363899273 /nfs/dbraw/zinc/89/92/73/363899273.db2.gz PKGNVTHKUZKQQO-XWLWVQCSSA-N 1 0 242.344 0.701 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000614722931 363939509 /nfs/dbraw/zinc/93/95/09/363939509.db2.gz ADPDCFXFIWEJMM-UTUOFQBUSA-N 1 0 238.331 0.619 20 30 BCEDRO C=C[C@@H](C(=O)OC)N(C)CC[N@H+](C)C1CC1 ZINC000619721501 363935460 /nfs/dbraw/zinc/93/54/60/363935460.db2.gz UDPVDGGLYXEQRZ-NSHDSACASA-N 1 0 226.320 0.740 20 30 BCEDRO C=C[C@](C)(CC)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614850662 364001947 /nfs/dbraw/zinc/00/19/47/364001947.db2.gz AKZQHDJXRAFOHO-ZYHUDNBSSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614850649 364002051 /nfs/dbraw/zinc/00/20/51/364002051.db2.gz AJVDXAYXDZLEAF-WDEREUQCSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C[C@](C)(CC)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614850657 364002333 /nfs/dbraw/zinc/00/23/33/364002333.db2.gz AKZQHDJXRAFOHO-CMPLNLGQSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H](C)C[N@@H+](C)CCCC ZINC000614975588 364258900 /nfs/dbraw/zinc/25/89/00/364258900.db2.gz REWYXYOEWIMWTP-GHMZBOCLSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCNC(=O)Cn1cc(C2CC[NH2+]CC2)nn1 ZINC000630610617 364337212 /nfs/dbraw/zinc/33/72/12/364337212.db2.gz NUQNNSLXVJBGRT-UHFFFAOYSA-N 1 0 249.318 0.047 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](C)C[N@@H+](CC)CCC ZINC000615062811 364442385 /nfs/dbraw/zinc/44/23/85/364442385.db2.gz AAPCFRFWSJOKGJ-MNOVXSKESA-N 1 0 228.336 0.770 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NCCC[NH+](C)C ZINC000136176015 364463912 /nfs/dbraw/zinc/46/39/12/364463912.db2.gz SZKUBUZRRZPCPU-NSHDSACASA-N 1 0 211.309 0.994 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](COC)C1CC1 ZINC000136671994 364475581 /nfs/dbraw/zinc/47/55/81/364475581.db2.gz YROMWQBOMMXNOS-ONGXEEELSA-N 1 0 226.320 0.692 20 30 BCEDRO C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)C[C@H]1O ZINC000356991135 366853992 /nfs/dbraw/zinc/85/39/92/366853992.db2.gz VGTZOXYIEATNID-WDEREUQCSA-N 1 0 239.319 0.061 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000615303382 364680932 /nfs/dbraw/zinc/68/09/32/364680932.db2.gz HJOYMAWSUAURKY-MDZLAQPJSA-N 1 0 240.347 0.865 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615303688 364682376 /nfs/dbraw/zinc/68/23/76/364682376.db2.gz UTVCKCFQRYPGFJ-BBBLOLIVSA-N 1 0 212.293 0.084 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@](C)(O)C1 ZINC000248344551 364628981 /nfs/dbraw/zinc/62/89/81/364628981.db2.gz LTCGOZUYPJTOFD-KOLCDFICSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000295516815 364780014 /nfs/dbraw/zinc/78/00/14/364780014.db2.gz VIONLJUOPYHCJH-IVZWLZJFSA-N 1 0 212.293 0.444 20 30 BCEDRO Cc1nn(CC[C@H]2CC[NH2+]C2)c(=O)c(C#N)c1C ZINC000573365299 364810114 /nfs/dbraw/zinc/81/01/14/364810114.db2.gz UDHKOTSNFARGHA-LLVKDONJSA-N 1 0 246.314 0.731 20 30 BCEDRO CC#CCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000573605379 364872788 /nfs/dbraw/zinc/87/27/88/364872788.db2.gz PAIZIUAAEMWCHC-ZJUUUORDSA-N 1 0 211.309 0.825 20 30 BCEDRO CC(C)(CCC#N)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000573864751 364935677 /nfs/dbraw/zinc/93/56/77/364935677.db2.gz YYFICZFWRIBSLT-JTQLQIEISA-N 1 0 238.335 0.977 20 30 BCEDRO C[C@H]1CN(CCN2CC(C)(C#N)C2)CCO1 ZINC000574819675 365151368 /nfs/dbraw/zinc/15/13/68/365151368.db2.gz GXYFBZYJNKUPDS-NSHDSACASA-N 1 0 223.320 0.553 20 30 BCEDRO C[NH+](C)[C@H]1CCC[C@@H]1Nc1ccnc(C#N)n1 ZINC000574822569 365153863 /nfs/dbraw/zinc/15/38/63/365153863.db2.gz KVQCNBGTZMEISG-UWVGGRQHSA-N 1 0 231.303 0.665 20 30 BCEDRO N#CCC(=O)N1CC[NH+](CCC2CC2)CC1 ZINC000575426978 365316184 /nfs/dbraw/zinc/31/61/84/365316184.db2.gz FXKIOPPMOHANFE-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@H](CO)C1 ZINC000338900615 365440843 /nfs/dbraw/zinc/44/08/43/365440843.db2.gz ILRIPLREVPCZAD-NSHDSACASA-N 1 0 212.293 0.621 20 30 BCEDRO N#CCCOCCN1CC[NH+](C2CC2)CC1 ZINC000338932781 365442086 /nfs/dbraw/zinc/44/20/86/365442086.db2.gz CIIKCZXYVLWWSL-UHFFFAOYSA-N 1 0 223.320 0.697 20 30 BCEDRO CC[C@H]1C[N@H+](CCOCCC#N)C[C@H]1O ZINC000339057378 365446067 /nfs/dbraw/zinc/44/60/67/365446067.db2.gz ARMLYTZBNSVGMI-WDEREUQCSA-N 1 0 212.293 0.619 20 30 BCEDRO CC[C@H]1C[N@H+](CCOCCC#N)C[C@@H]1O ZINC000339057377 365446866 /nfs/dbraw/zinc/44/68/66/365446866.db2.gz ARMLYTZBNSVGMI-QWRGUYRKSA-N 1 0 212.293 0.619 20 30 BCEDRO C[N@H+](CCOCCC#N)CC1(O)CCOCC1 ZINC000339110665 365448591 /nfs/dbraw/zinc/44/85/91/365448591.db2.gz IMSYQJGZRUIEDV-UHFFFAOYSA-N 1 0 242.319 0.390 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@H]2C(=O)NC[C@@H]21 ZINC000339154722 365452337 /nfs/dbraw/zinc/45/23/37/365452337.db2.gz LHDUCDVWFZRSPH-MNOVXSKESA-N 1 0 237.303 0.127 20 30 BCEDRO C[C@@H](C#N)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000576120444 365492220 /nfs/dbraw/zinc/49/22/20/365492220.db2.gz GFAGBOLEHQWXMU-GARJFASQSA-N 1 0 221.304 0.841 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@@H](C)CC(=O)OCC ZINC000182664798 366928845 /nfs/dbraw/zinc/92/88/45/366928845.db2.gz WAEHAYJGFCTCRP-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO N#CCC[NH2+]C[C@H]1CC(=O)N(C2CC2)C1 ZINC000579829039 367034883 /nfs/dbraw/zinc/03/48/83/367034883.db2.gz JHXXMLINJPDTNL-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO N#CCCNC1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000579943213 367093837 /nfs/dbraw/zinc/09/38/37/367093837.db2.gz GDOAWKKLMHCQFB-QWHCGFSZSA-N 1 0 237.347 0.867 20 30 BCEDRO N#CCCNC1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000579943214 367094019 /nfs/dbraw/zinc/09/40/19/367094019.db2.gz GDOAWKKLMHCQFB-STQMWFEESA-N 1 0 237.347 0.867 20 30 BCEDRO C[C@@H]([NH3+])[C@H](C)NC(=O)C1(C#N)CCCC1 ZINC000580841167 367185020 /nfs/dbraw/zinc/18/50/20/367185020.db2.gz QRACXQFGVGDXJG-BDAKNGLRSA-N 1 0 209.293 0.922 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)COCCOC ZINC000581140449 367275811 /nfs/dbraw/zinc/27/58/11/367275811.db2.gz MOVCDVOKEPHGND-WDEREUQCSA-N 1 0 230.308 0.292 20 30 BCEDRO CC[NH+](CC)CCS(=O)(=O)NC[C@@H](C)C#N ZINC000581039553 367242771 /nfs/dbraw/zinc/24/27/71/367242771.db2.gz BTTGGNKJHNTVBR-JTQLQIEISA-N 1 0 247.364 0.407 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCN1C(=O)N[C@@H](C)C1=O ZINC000581319020 367345737 /nfs/dbraw/zinc/34/57/37/367345737.db2.gz ONVKNZHRYMGVPO-DTWKUNHWSA-N 1 0 238.291 0.209 20 30 BCEDRO CC[C@@H](CC#N)NC[C@@H](O)C[N@H+](C)CCOC ZINC000581202171 367295262 /nfs/dbraw/zinc/29/52/62/367295262.db2.gz SBDCJUOWCYSQFT-NWDGAFQWSA-N 1 0 243.351 0.207 20 30 BCEDRO C=CCN1CC[C@@H](N(C)[C@@H](C)C[NH3+])C1=O ZINC000581251802 367308838 /nfs/dbraw/zinc/30/88/38/367308838.db2.gz QKKNDMSHQPENLA-VHSXEESVSA-N 1 0 211.309 0.052 20 30 BCEDRO COC(=O)N1CC([NH2+][C@H]2CC[C@@H](C#N)C2)C1 ZINC000381435093 367403353 /nfs/dbraw/zinc/40/33/53/367403353.db2.gz CMAKQOQBKWMHFH-BDAKNGLRSA-N 1 0 223.276 0.719 20 30 BCEDRO CC[N@H+](CCCNC(C)=O)C[C@@H](C)C#N ZINC000195434893 367360171 /nfs/dbraw/zinc/36/01/71/367360171.db2.gz QORFEHPTGCKRFS-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C#CC[N@@H+]1CCC[C@H](N2CCOCC2)C1 ZINC000382501987 367530725 /nfs/dbraw/zinc/53/07/25/367530725.db2.gz SKMZMMZMVQADIR-LBPRGKRZSA-N 1 0 208.305 0.416 20 30 BCEDRO C=C1CCN(C(=O)[C@@H]2CC[C@H](C[NH3+])O2)CC1 ZINC000382584854 367545812 /nfs/dbraw/zinc/54/58/12/367545812.db2.gz RKWCRLLCOMLJRD-MNOVXSKESA-N 1 0 224.304 0.671 20 30 BCEDRO Cc1nc(C(=O)N[C@@H]2CCC[NH2+]C2)ccc1C#N ZINC000581555550 367586598 /nfs/dbraw/zinc/58/65/98/367586598.db2.gz FYCBSWMSGLUYGT-LLVKDONJSA-N 1 0 244.298 0.744 20 30 BCEDRO C=C(C)COCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000386317389 367950409 /nfs/dbraw/zinc/95/04/09/367950409.db2.gz CDPGXQUEEUWOAL-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO C#C[C@H](CCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000387186939 368098469 /nfs/dbraw/zinc/09/84/69/368098469.db2.gz FRJRNNBCLDJJJO-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C[NH2+]CCN(C)C(=O)C1(C#N)CCCC1 ZINC000566407930 326040721 /nfs/dbraw/zinc/04/07/21/326040721.db2.gz RVOZFTSCMFKACY-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C[NH2+]CCCNS(=O)(=O)c1ccc(C#N)o1 ZINC000582014300 368154149 /nfs/dbraw/zinc/15/41/49/368154149.db2.gz NSBNVPZXTHZXBQ-UHFFFAOYSA-N 1 0 243.288 0.039 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000567053033 326107258 /nfs/dbraw/zinc/10/72/58/326107258.db2.gz PELRKRGUVYJWMX-DCAQKATOSA-N 1 0 237.303 0.268 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCn2cncn2)c1 ZINC000065934307 368635143 /nfs/dbraw/zinc/63/51/43/368635143.db2.gz FMEODDUEAMNFGL-UHFFFAOYSA-N 1 0 227.271 0.940 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N(C)C[C@H](C)C#N ZINC000067574352 368692595 /nfs/dbraw/zinc/69/25/95/368692595.db2.gz PLRXURPCISABCN-SNVBAGLBSA-N 1 0 211.309 0.945 20 30 BCEDRO COCCN(CC#N)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000457206183 203018361 /nfs/dbraw/zinc/01/83/61/203018361.db2.gz RVXGQLJFWTWNCX-GHMZBOCLSA-N 1 0 239.319 0.183 20 30 BCEDRO CC#CCN(C)C(=O)NCC[NH+](CC)CC ZINC000457405552 203055731 /nfs/dbraw/zinc/05/57/31/203055731.db2.gz MMKZMEZPLQLQAR-UHFFFAOYSA-N 1 0 225.336 0.993 20 30 BCEDRO C[NH+]=C(NCc1nccn1C)NC(C)C ZINC000072614655 368775773 /nfs/dbraw/zinc/77/57/73/368775773.db2.gz FBSXNNOONGFZEE-UHFFFAOYSA-N 1 0 209.297 0.494 20 30 BCEDRO COCCN(CC#N)CC[C@H]1CCC[N@@H+]1C ZINC000457351177 203042143 /nfs/dbraw/zinc/04/21/43/203042143.db2.gz YTDDIXQIMSXZPY-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO C=C(C)CCNC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000567249319 326150374 /nfs/dbraw/zinc/15/03/74/326150374.db2.gz SYDMTQGXAYUGQV-NSHDSACASA-N 1 0 240.351 0.237 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@]2(CNC(=O)C2)C1 ZINC000072831002 368782648 /nfs/dbraw/zinc/78/26/48/368782648.db2.gz CRNZCMQXRONPSG-LBPRGKRZSA-N 1 0 206.289 0.612 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CC[NH+](C2CCC2)CC1 ZINC000616004236 368873386 /nfs/dbraw/zinc/87/33/86/368873386.db2.gz WVZDUOCWFJAPKG-LBPRGKRZSA-N 1 0 238.331 0.666 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+](CC)CC(=C)C ZINC000048617282 368979031 /nfs/dbraw/zinc/97/90/31/368979031.db2.gz WRTDHHATCUXHCL-UHFFFAOYSA-N 1 0 239.319 0.896 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+]1CCCC1(C)C ZINC000616153471 368986946 /nfs/dbraw/zinc/98/69/46/368986946.db2.gz GOVNMIYKFMECGD-CYBMUJFWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000616154996 368987029 /nfs/dbraw/zinc/98/70/29/368987029.db2.gz IAQHERRCJOLDGV-MNOVXSKESA-N 1 0 226.320 0.474 20 30 BCEDRO C=C[C@@H](O)C(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000616153898 368987318 /nfs/dbraw/zinc/98/73/18/368987318.db2.gz KKZVCUDVQUVQFV-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000618195195 369083915 /nfs/dbraw/zinc/08/39/15/369083915.db2.gz ZHKKGDBZJUUOPL-LLVKDONJSA-N 1 0 240.347 0.988 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000617923828 369050042 /nfs/dbraw/zinc/05/00/42/369050042.db2.gz JJXWGYIBQFTHEM-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO Cc1cc(C(=O)N[C@@H](C)C[NH+](C)C)ncc1C#N ZINC000457808601 203103406 /nfs/dbraw/zinc/10/34/06/203103406.db2.gz NWJLCBXHLQNCAE-JTQLQIEISA-N 1 0 246.314 0.942 20 30 BCEDRO C=CCOCCCNC(=O)C[NH+](C)C ZINC000618522477 369166574 /nfs/dbraw/zinc/16/65/74/369166574.db2.gz JACVNHCPYZGSNF-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[N@@H+](C)CC ZINC000458010621 203126340 /nfs/dbraw/zinc/12/63/40/203126340.db2.gz IGERBSWUNGQCQP-MNOVXSKESA-N 1 0 241.335 0.581 20 30 BCEDRO C=CCCC[N@@H+](C)CCN1C(=O)N[C@H](C)C1=O ZINC000459361632 203267692 /nfs/dbraw/zinc/26/76/92/203267692.db2.gz GXCJOFOPKODVGR-SNVBAGLBSA-N 1 0 239.319 0.825 20 30 BCEDRO CS(=O)(=O)C1(CNCCC#N)CCCC1 ZINC000567707677 326249079 /nfs/dbraw/zinc/24/90/79/326249079.db2.gz BCXBSOJPYLNFNW-UHFFFAOYSA-N 1 0 230.333 0.847 20 30 BCEDRO N#Cc1cncc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000401465158 369363748 /nfs/dbraw/zinc/36/37/48/369363748.db2.gz UBSGTCUJRFLJRW-DTORHVGOSA-N 1 0 215.260 0.004 20 30 BCEDRO CN(c1cncc(C#N)n1)[C@H]1CCC[N@H+](C)C1 ZINC000401438605 369363977 /nfs/dbraw/zinc/36/39/77/369363977.db2.gz YVSKCCAILZUICF-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO N#Cc1cncc(NCC[NH+]2CCC(O)CC2)n1 ZINC000401473204 369365039 /nfs/dbraw/zinc/36/50/39/369365039.db2.gz JHQFJKASUXJFCY-UHFFFAOYSA-N 1 0 247.302 0.217 20 30 BCEDRO N#Cc1cncc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000401534283 369368108 /nfs/dbraw/zinc/36/81/08/369368108.db2.gz XMBORPCONTVRJR-VHSXEESVSA-N 1 0 229.287 0.394 20 30 BCEDRO N#Cc1cncc(N2CC[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000401534282 369369052 /nfs/dbraw/zinc/36/90/52/369369052.db2.gz XMBORPCONTVRJR-UWVGGRQHSA-N 1 0 229.287 0.394 20 30 BCEDRO CNC(=O)C1C[NH+](CC(C)(C)CCC#N)C1 ZINC000459611001 203315688 /nfs/dbraw/zinc/31/56/88/203315688.db2.gz PVPWISWZDDDQDY-UHFFFAOYSA-N 1 0 223.320 0.994 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)NCC2(CC#N)CC2)C1 ZINC000404096532 369420047 /nfs/dbraw/zinc/42/00/47/369420047.db2.gz XYGAYSKCBKDOKR-SNVBAGLBSA-N 1 0 221.304 0.748 20 30 BCEDRO N#Cc1cccn(C[C@@H]2CC[NH2+]C2)c1=O ZINC000214444576 369423036 /nfs/dbraw/zinc/42/30/36/369423036.db2.gz ZZKXRYBPYWYNHV-SECBINFHSA-N 1 0 203.245 0.329 20 30 BCEDRO C[C@@H](CCC#N)C[N@H+](C)CC(C)(CO)CO ZINC000619568737 369482584 /nfs/dbraw/zinc/48/25/84/369482584.db2.gz ZCTKWVMYGTVZHZ-NSHDSACASA-N 1 0 228.336 0.849 20 30 BCEDRO CC[C@@H](C#N)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000259966896 370959121 /nfs/dbraw/zinc/95/91/21/370959121.db2.gz LVXBENXJZVBXOZ-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(C#N)C1 ZINC000259978184 370960202 /nfs/dbraw/zinc/96/02/02/370960202.db2.gz HQKOSJVFWHOTFR-JTQLQIEISA-N 1 0 207.277 0.453 20 30 BCEDRO C=CCC[C@@H](CC)[NH2+]C[C@@H](O)Cn1ccnn1 ZINC000459693946 203336769 /nfs/dbraw/zinc/33/67/69/203336769.db2.gz JNDHPZIEVQUZQW-VXGBXAGGSA-N 1 0 238.335 0.973 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)NCC2(C#N)CC2)C1 ZINC000619527069 369462147 /nfs/dbraw/zinc/46/21/47/369462147.db2.gz LOWPAZJETZXXDZ-SNVBAGLBSA-N 1 0 236.319 0.684 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCO[C@H]2CC)C1=O ZINC000459764248 203361228 /nfs/dbraw/zinc/36/12/28/203361228.db2.gz BVCIJTBEXGYPCW-WOPDTQHZSA-N 1 0 238.331 0.930 20 30 BCEDRO C=C[C@@H](C(=O)OC)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000619718732 369548818 /nfs/dbraw/zinc/54/88/18/369548818.db2.gz YVBSKONXDAITPV-NEPJUHHUSA-N 1 0 240.347 0.988 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@H](OCCOC)C1 ZINC000619722127 369552315 /nfs/dbraw/zinc/55/23/15/369552315.db2.gz JXVJGLQCERXWSJ-QWRGUYRKSA-N 1 0 243.303 0.451 20 30 BCEDRO Cc1ccc(CN(C)C[C@H](O)C[NH3+])cc1C#N ZINC000600709814 369559610 /nfs/dbraw/zinc/55/96/10/369559610.db2.gz JVMJRWBKCDPNFQ-CYBMUJFWSA-N 1 0 233.315 0.618 20 30 BCEDRO N#Cc1ccc(CN2CCO[C@H](C[NH3+])C2)o1 ZINC000600767580 369563459 /nfs/dbraw/zinc/56/34/59/369563459.db2.gz BNFYLQBHIRBEEL-LLVKDONJSA-N 1 0 221.260 0.311 20 30 BCEDRO N#Cc1cncnc1N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000600884965 369571783 /nfs/dbraw/zinc/57/17/83/369571783.db2.gz GZNGRDPQCLUTCQ-AOOOYVTPSA-N 1 0 215.260 0.289 20 30 BCEDRO N#Cc1cccnc1-n1cc(CCC[NH3+])nn1 ZINC000600976134 369582363 /nfs/dbraw/zinc/58/23/63/369582363.db2.gz JSWPTSNYLQOXJY-UHFFFAOYSA-N 1 0 228.259 0.425 20 30 BCEDRO N#Cc1cnc(N2CC([NH+]3CCCC3)C2)cn1 ZINC000601194304 369603774 /nfs/dbraw/zinc/60/37/74/369603774.db2.gz XZJDRJSMAJEMSO-UHFFFAOYSA-N 1 0 229.287 0.633 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000619899908 369632200 /nfs/dbraw/zinc/63/22/00/369632200.db2.gz ULGMQVGRRZNTCS-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC[N@H+](C)CCOC ZINC000061380938 369669691 /nfs/dbraw/zinc/66/96/91/369669691.db2.gz VAZYFGAYWUQPEW-JTQLQIEISA-N 1 0 227.308 0.231 20 30 BCEDRO CC1(C)C[C@@H]([NH2+]CCn2cnc(C#N)n2)CCO1 ZINC000601963675 369729083 /nfs/dbraw/zinc/72/90/83/369729083.db2.gz LEIJLJYRHRNYCO-JTQLQIEISA-N 1 0 249.318 0.697 20 30 BCEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)Cc1ccc(C#N)nc1 ZINC000602512562 369802549 /nfs/dbraw/zinc/80/25/49/369802549.db2.gz CHDYLOUEUAPKNZ-VHSXEESVSA-N 1 0 246.314 0.738 20 30 BCEDRO N#Cc1cccc(C(=O)NCCOCCC[NH3+])c1 ZINC000602553298 369812274 /nfs/dbraw/zinc/81/22/74/369812274.db2.gz RTMVFHVQYDWRTD-UHFFFAOYSA-N 1 0 247.298 0.653 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@@]2(O)CCSC2)n1 ZINC000602573799 369816157 /nfs/dbraw/zinc/81/61/57/369816157.db2.gz UZUIDAXCKJTQOD-LBPRGKRZSA-N 1 0 249.339 0.911 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)Cc1ccc(C#N)nc1 ZINC000602596573 369823999 /nfs/dbraw/zinc/82/39/99/369823999.db2.gz QCCIRRLYBYTTES-GXSJLCMTSA-N 1 0 244.298 0.444 20 30 BCEDRO CO[C@H](C[NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC000602652211 369834820 /nfs/dbraw/zinc/83/48/20/369834820.db2.gz AAXAHJFQGNVHTH-SNVBAGLBSA-N 1 0 235.291 0.164 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@H](O)C2CC2)n1 ZINC000602658500 369835446 /nfs/dbraw/zinc/83/54/46/369835446.db2.gz ZKHIQHDKUQCALZ-LBPRGKRZSA-N 1 0 217.272 0.814 20 30 BCEDRO CNC(=O)CC[N@H+](C)Cc1cccc(C#N)n1 ZINC000602460427 369791026 /nfs/dbraw/zinc/79/10/26/369791026.db2.gz SBMLUCGROOSCKK-UHFFFAOYSA-N 1 0 232.287 0.521 20 30 BCEDRO C[NH2+]CCCN(C)C(=O)Cc1ccc(C#N)nc1 ZINC000602508419 369797782 /nfs/dbraw/zinc/79/77/82/369797782.db2.gz BWLROAREJIEJHW-UHFFFAOYSA-N 1 0 246.314 0.564 20 30 BCEDRO CC(C)C(=O)NCC[NH2+]Cc1cccc(C#N)n1 ZINC000602505660 369797930 /nfs/dbraw/zinc/79/79/30/369797930.db2.gz WHCYTQXUWDJTOP-UHFFFAOYSA-N 1 0 246.314 0.815 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H](CO)CCF)n1 ZINC000602710097 369844251 /nfs/dbraw/zinc/84/42/51/369844251.db2.gz DKKINSGLFHXGFY-NSHDSACASA-N 1 0 223.251 0.763 20 30 BCEDRO C[NH2+][C@@H](C)c1cn(Cc2ccncc2C#N)nn1 ZINC000603254187 369905557 /nfs/dbraw/zinc/90/55/57/369905557.db2.gz MLOYZOFVNILBER-VIFPVBQESA-N 1 0 242.286 0.873 20 30 BCEDRO C=C[C@@H](O)C(=O)NC(C)(C)C[N@@H+](C)CCC ZINC000620621552 369966339 /nfs/dbraw/zinc/96/63/39/369966339.db2.gz MPIBUBWYJCLBFV-SNVBAGLBSA-N 1 0 228.336 0.770 20 30 BCEDRO COC[C@H](C)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000603892910 369998115 /nfs/dbraw/zinc/99/81/15/369998115.db2.gz DIVRGNJJFKKKPK-VIFPVBQESA-N 1 0 245.286 0.725 20 30 BCEDRO N#Cc1ccc(N[C@@H]2[C@H]3C[NH2+]C[C@H]32)nc1 ZINC000252405821 370021231 /nfs/dbraw/zinc/02/12/31/370021231.db2.gz FKSDGGURPVVRFU-JZYVYDRUSA-N 1 0 200.245 0.583 20 30 BCEDRO CCc1nc(C#N)cc(N(C)CC[NH+](C)C)n1 ZINC000308169723 370106233 /nfs/dbraw/zinc/10/62/33/370106233.db2.gz PKTFNTSDJMIQAD-UHFFFAOYSA-N 1 0 233.319 0.908 20 30 BCEDRO C=C(C)C[N@H+](CC)CCS(=O)(=O)NC ZINC000621245547 370179742 /nfs/dbraw/zinc/17/97/42/370179742.db2.gz KGEWUGMRLVPTTO-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNc1cc(C#N)ncn1 ZINC000310660317 370361141 /nfs/dbraw/zinc/36/11/41/370361141.db2.gz FQRNSWGBHGPGNU-NSHDSACASA-N 1 0 246.318 0.006 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[NH2+]C(C)(C)C ZINC000621877803 370576322 /nfs/dbraw/zinc/57/63/22/370576322.db2.gz QOMZZCOMTJAMKG-LLVKDONJSA-N 1 0 214.309 0.428 20 30 BCEDRO COC(=O)CCC[NH2+]C[C@@H](C#N)CCC#N ZINC000568500761 326359961 /nfs/dbraw/zinc/35/99/61/326359961.db2.gz FLACERKNWVZMNE-SNVBAGLBSA-N 1 0 223.276 0.973 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)c1cccc(C#N)c1 ZINC000082584519 371012717 /nfs/dbraw/zinc/01/27/17/371012717.db2.gz GKCYJDKZVZBGFO-QMMMGPOBSA-N 1 0 203.245 0.635 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)CCC[NH3+] ZINC000572842058 326414262 /nfs/dbraw/zinc/41/42/62/326414262.db2.gz OYECFBNQOBXQMS-SECBINFHSA-N 1 0 220.338 0.609 20 30 BCEDRO C=CCC[C@@H](C)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000624250847 371437659 /nfs/dbraw/zinc/43/76/59/371437659.db2.gz CSGXTFMABHTYQB-GHMZBOCLSA-N 1 0 226.320 0.917 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000392812457 371459022 /nfs/dbraw/zinc/45/90/22/371459022.db2.gz CPMXCODJHWTPNP-NSHDSACASA-N 1 0 221.304 0.914 20 30 BCEDRO CC(C)(CC(N)=O)[NH2+]CC1(CC#N)CC1 ZINC000227062116 371777071 /nfs/dbraw/zinc/77/70/71/371777071.db2.gz LJEVUJYNPKSICF-UHFFFAOYSA-N 1 0 209.293 0.924 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627648997 371807702 /nfs/dbraw/zinc/80/77/02/371807702.db2.gz DZWJXPXHPIOAED-PJXYFTJBSA-N 1 0 238.331 0.598 20 30 BCEDRO C=CCCn1cc(CN2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC000631852405 372651171 /nfs/dbraw/zinc/65/11/71/372651171.db2.gz OQCARBWNLJUFLN-TXEJJXNPSA-N 1 0 247.346 0.790 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631971171 372710039 /nfs/dbraw/zinc/71/00/39/372710039.db2.gz HADBTJMPMILZHL-AOOOYVTPSA-N 1 0 230.333 0.329 20 30 BCEDRO CC#CCN(C)S(=O)(=O)CCC[NH+](C)C ZINC000632375463 372906210 /nfs/dbraw/zinc/90/62/10/372906210.db2.gz UTWIBSBQULRZGJ-UHFFFAOYSA-N 1 0 232.349 0.223 20 30 BCEDRO N#Cc1cccc(C[NH+](CCO)CCO)c1 ZINC000040420179 373256812 /nfs/dbraw/zinc/25/68/12/373256812.db2.gz GWLUKWSKFYBBEJ-UHFFFAOYSA-N 1 0 220.272 0.345 20 30 BCEDRO C=CCOCCNC(=O)N(C)Cc1ncc[nH]1 ZINC000633160717 373318054 /nfs/dbraw/zinc/31/80/54/373318054.db2.gz WGROOTABMJPTRN-UHFFFAOYSA-N 1 0 238.291 0.754 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000634125690 373970448 /nfs/dbraw/zinc/97/04/48/373970448.db2.gz USGOBEJOCVJZBK-NSHDSACASA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C)COCCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000417882942 205935112 /nfs/dbraw/zinc/93/51/12/205935112.db2.gz GRVXZTOWHUZNGP-SNVBAGLBSA-N 1 0 227.308 0.322 20 30 BCEDRO CC[C@@H](COC)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424087292 206029173 /nfs/dbraw/zinc/02/91/73/206029173.db2.gz RGJNRAICWRUSOZ-VHSXEESVSA-N 1 0 227.308 0.549 20 30 BCEDRO CC[C@@H](COC)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424087290 206029720 /nfs/dbraw/zinc/02/97/20/206029720.db2.gz RGJNRAICWRUSOZ-UWVGGRQHSA-N 1 0 227.308 0.549 20 30 BCEDRO CC(C)[C@@H](O)CCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424131319 206032618 /nfs/dbraw/zinc/03/26/18/206032618.db2.gz UTTUJBYVGPKGGB-QWRGUYRKSA-N 1 0 241.335 0.531 20 30 BCEDRO CSC[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424129458 206033638 /nfs/dbraw/zinc/03/36/38/206033638.db2.gz RXICBZBJOUTZIQ-DTWKUNHWSA-N 1 0 229.349 0.875 20 30 BCEDRO Cc1[nH]c(C#N)cc1C(=O)NC[C@@H](C)[NH+](C)C ZINC000448678306 206083916 /nfs/dbraw/zinc/08/39/16/206083916.db2.gz UOEPACISHJVIOM-MRVPVSSYSA-N 1 0 234.303 0.875 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C[N@@H+](C)C(C)C ZINC000456765014 206117483 /nfs/dbraw/zinc/11/74/83/206117483.db2.gz GEVMEOSQQPTSAA-LLVKDONJSA-N 1 0 228.336 0.770 20 30 BCEDRO Cc1cc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)ccc1C#N ZINC000459698274 206136845 /nfs/dbraw/zinc/13/68/45/206136845.db2.gz ITSICUUYCWNHLS-KBPBESRZSA-N 1 0 246.310 0.652 20 30 BCEDRO OC[C@@H]1C[C@@H](O)C[N@@H+]1CC#Cc1ccccc1 ZINC000276909642 183129746 /nfs/dbraw/zinc/12/97/46/183129746.db2.gz FMJANJBTJIDTBS-UONOGXRCSA-N 1 0 231.295 0.466 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC(=C)C ZINC000181258882 134334354 /nfs/dbraw/zinc/33/43/54/134334354.db2.gz FQYIGRIFHRXDOJ-JTQLQIEISA-N 1 0 239.319 0.895 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)C(F)F)o1 ZINC000226578487 134366970 /nfs/dbraw/zinc/36/69/70/134366970.db2.gz REYMAQFIRKBUOI-MRVPVSSYSA-N 1 0 216.187 0.867 20 30 BCEDRO C=CCn1cc(-c2nc(C[C@H](C)[NH2+]C)no2)nn1 ZINC000647143625 383821686 /nfs/dbraw/zinc/82/16/86/383821686.db2.gz MWQRWFJXXVKAMR-QMMMGPOBSA-N 1 0 248.290 0.665 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000566193408 383824524 /nfs/dbraw/zinc/82/45/24/383824524.db2.gz WRJUUEBVTSUDQF-KXUCPTDWSA-N 1 0 229.324 0.348 20 30 BCEDRO C#CCNC(=O)C[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000087973355 383825613 /nfs/dbraw/zinc/82/56/13/383825613.db2.gz YCXFWWTUXYHNOK-QWRGUYRKSA-N 1 0 208.305 0.762 20 30 BCEDRO C=CCNC(=O)NC1CC[NH+](CC)CC1 ZINC000298561303 383922611 /nfs/dbraw/zinc/92/26/11/383922611.db2.gz LCCDSMRRFUQSFW-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCOCC[NH2+]C(C)(C)C(=O)NCC ZINC000313103037 383883181 /nfs/dbraw/zinc/88/31/81/383883181.db2.gz QYQWLMQJJWZXOI-UHFFFAOYSA-N 1 0 214.309 0.693 20 30 BCEDRO C#CCNC(=O)c1ccccc1CC[NH3+] ZINC000070533047 383934220 /nfs/dbraw/zinc/93/42/20/383934220.db2.gz QJISZSCEDCORCT-UHFFFAOYSA-N 1 0 202.257 0.551 20 30 BCEDRO CNC(NCC1CCN(C(=O)OC)CC1)=[NH+]C ZINC000497124636 383993957 /nfs/dbraw/zinc/99/39/57/383993957.db2.gz DHHMKJZENQYLTK-UHFFFAOYSA-N 1 0 242.323 0.260 20 30 BCEDRO CN(C)C(=O)NCC[N@H+](C)CCCC#N ZINC000332483892 384020534 /nfs/dbraw/zinc/02/05/34/384020534.db2.gz PBMBFAUBCOIYTR-UHFFFAOYSA-N 1 0 212.297 0.493 20 30 BCEDRO C=C[C@@H](CO)Nc1cc(NC[C@@H](C)O)ncn1 ZINC000298848181 384024702 /nfs/dbraw/zinc/02/47/02/384024702.db2.gz IWKPVRYJDVVLNJ-BDAKNGLRSA-N 1 0 238.291 0.228 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](S(=O)(=O)NC(C)C)C1 ZINC000363468219 384083403 /nfs/dbraw/zinc/08/34/03/384083403.db2.gz LBBIMPLBTSBMBF-NSHDSACASA-N 1 0 244.360 0.412 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)Cc1cccc(C#N)c1 ZINC000289381048 384083997 /nfs/dbraw/zinc/08/39/97/384083997.db2.gz CHPPILUDUPGNOH-NSHDSACASA-N 1 0 234.299 0.733 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@H](C(N)=O)C2)c1 ZINC000048034682 384084448 /nfs/dbraw/zinc/08/44/48/384084448.db2.gz JRCMCBJTFIXYQP-LBPRGKRZSA-N 1 0 229.283 0.865 20 30 BCEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)NCC#CCO ZINC000298971940 384088010 /nfs/dbraw/zinc/08/80/10/384088010.db2.gz OUBKRSALXNMIOB-SNVBAGLBSA-N 1 0 226.320 0.265 20 30 BCEDRO CN(CC#N)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000363460340 384062243 /nfs/dbraw/zinc/06/22/43/384062243.db2.gz BBFBVUFRDYPMPA-ZDUSSCGKSA-N 1 0 236.363 0.610 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](S(=O)(=O)NC(C)C)C1 ZINC000363468218 384082828 /nfs/dbraw/zinc/08/28/28/384082828.db2.gz LBBIMPLBTSBMBF-LLVKDONJSA-N 1 0 244.360 0.412 20 30 BCEDRO C[NH+](C)Cc1ccc(C(=O)NCC#CCO)cc1 ZINC000299146425 384118534 /nfs/dbraw/zinc/11/85/34/384118534.db2.gz YGUVANBJVPXIOO-UHFFFAOYSA-N 1 0 246.310 0.474 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCO[C@@H]2CC[N@H+](C)C[C@@H]21 ZINC000332669904 384108889 /nfs/dbraw/zinc/10/88/89/384108889.db2.gz BKALOHKMWCCZPR-OUAUKWLOSA-N 1 0 237.303 0.078 20 30 BCEDRO C#CCCCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000375165436 533038206 /nfs/dbraw/zinc/03/82/06/533038206.db2.gz DOIVANFEUGWWGB-UHFFFAOYSA-N 1 0 235.331 0.889 20 30 BCEDRO C#CCCC[NH+]1CCN(C(=O)NC)CC1 ZINC000113546707 533036345 /nfs/dbraw/zinc/03/63/45/533036345.db2.gz WHHUJZNIXJMVBL-UHFFFAOYSA-N 1 0 209.293 0.357 20 30 BCEDRO COC[C@@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000074991460 384175903 /nfs/dbraw/zinc/17/59/03/384175903.db2.gz ATBGOJFJRHBZHF-NSHDSACASA-N 1 0 244.360 0.980 20 30 BCEDRO C#CCCNC(NCc1c(C)noc1C)=[NH+]C ZINC000262007795 533045084 /nfs/dbraw/zinc/04/50/84/533045084.db2.gz UTMFEUZJWWNDDK-UHFFFAOYSA-N 1 0 234.303 0.980 20 30 BCEDRO C[C@@H](CO)[N@H+](C)C[C@H](O)c1ccc(C#N)cc1 ZINC000135622602 384203760 /nfs/dbraw/zinc/20/37/60/384203760.db2.gz ULEGPZNFKNPRNH-GWCFXTLKSA-N 1 0 234.299 0.904 20 30 BCEDRO C#CCC[NH+]1CCC(N2CCCNC2=O)CC1 ZINC000367012994 533046484 /nfs/dbraw/zinc/04/64/84/533046484.db2.gz HQGKYNRERKEVFH-UHFFFAOYSA-N 1 0 235.331 0.889 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CCOC[C@@H]1C#N ZINC000081738958 384197324 /nfs/dbraw/zinc/19/73/24/384197324.db2.gz NYBRWHZHRJOPTF-JTQLQIEISA-N 1 0 225.292 0.079 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000367007639 533049330 /nfs/dbraw/zinc/04/93/30/533049330.db2.gz RVGSGOXLLYWLKK-NSHDSACASA-N 1 0 221.304 0.499 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CC)COC ZINC000133319287 384243223 /nfs/dbraw/zinc/24/32/23/384243223.db2.gz DQMWOSCDIOAPMH-SECBINFHSA-N 1 0 200.282 0.303 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1ccc(C#N)o1 ZINC000336663777 384245200 /nfs/dbraw/zinc/24/52/00/384245200.db2.gz KYRRMBAWIRVXLE-UHFFFAOYSA-N 1 0 221.260 0.833 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H]([C@@H](C)[NH3+])C1 ZINC000069626848 384246176 /nfs/dbraw/zinc/24/61/76/384246176.db2.gz HUDMRRVTIVKKFA-MNOVXSKESA-N 1 0 225.336 0.348 20 30 BCEDRO C[C@@H](CO)C[NH2+]Cc1nc(C#N)cs1 ZINC000336656885 384246618 /nfs/dbraw/zinc/24/66/18/384246618.db2.gz PCKKIKAADBGYAC-SSDOTTSWSA-N 1 0 211.290 0.733 20 30 BCEDRO N#Cc1csc(C[NH2+]C[C@]2(O)CCOC2)n1 ZINC000336699909 384254441 /nfs/dbraw/zinc/25/44/41/384254441.db2.gz NDXONIQAAMZXMN-SNVBAGLBSA-N 1 0 239.300 0.256 20 30 BCEDRO C[C@@H](CC1CC1)[NH2+]CCn1cnc(C#N)n1 ZINC000336741878 384261454 /nfs/dbraw/zinc/26/14/54/384261454.db2.gz NOYXQHNZRGKGAM-VIFPVBQESA-N 1 0 219.292 0.928 20 30 BCEDRO COCC[N@H+](CCO)CCCSCC#N ZINC000173880104 384276122 /nfs/dbraw/zinc/27/61/22/384276122.db2.gz PNSWXJLPAZVECZ-UHFFFAOYSA-N 1 0 232.349 0.574 20 30 BCEDRO C#CCC[N@@H+]1CCN2C(=O)N(C)C[C@@H]2C1 ZINC000373247535 533054797 /nfs/dbraw/zinc/05/47/97/533054797.db2.gz RGYBKYUGOXFAOJ-SNVBAGLBSA-N 1 0 207.277 0.061 20 30 BCEDRO C#CCC[NH+]1CCN(c2ncc(C)cn2)CC1 ZINC000301834020 533054370 /nfs/dbraw/zinc/05/43/70/533054370.db2.gz SLMDBSZVHRHYHJ-UHFFFAOYSA-N 1 0 230.315 0.930 20 30 BCEDRO CN(Cc1ccc(C#N)cn1)CC(C)(CO)CO ZINC000562383698 384303385 /nfs/dbraw/zinc/30/33/85/384303385.db2.gz QIKZIJGKDCTYHH-UHFFFAOYSA-N 1 0 249.314 0.376 20 30 BCEDRO C#CCCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000363457445 533055125 /nfs/dbraw/zinc/05/51/25/533055125.db2.gz LSOJRJUNJNMQEC-STQMWFEESA-N 1 0 222.332 0.541 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000368972208 533056160 /nfs/dbraw/zinc/05/61/60/533056160.db2.gz FPTPBMQXAYMCSR-AXFHLTTASA-N 1 0 206.289 0.596 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C)O[C@]2(CCOC2)C1 ZINC000373793978 533056993 /nfs/dbraw/zinc/05/69/93/533056993.db2.gz YRDVNHKTYFOULL-VXGBXAGGSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368972210 533057261 /nfs/dbraw/zinc/05/72/61/533057261.db2.gz FPTPBMQXAYMCSR-GARJFASQSA-N 1 0 206.289 0.596 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@@]1(C)CO ZINC000330364194 384366159 /nfs/dbraw/zinc/36/61/59/384366159.db2.gz GVAPWSRRUQOKBW-PWSUYJOCSA-N 1 0 226.320 0.429 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@H+](C)CC2CC2)CC1 ZINC000490740176 384368704 /nfs/dbraw/zinc/36/87/04/384368704.db2.gz IWEPAOYLKUBPAA-UHFFFAOYSA-N 1 0 249.358 0.106 20 30 BCEDRO CC[C@H](C)[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC000300405494 384372118 /nfs/dbraw/zinc/37/21/18/384372118.db2.gz UDERGALEDBDLAI-ZJUUUORDSA-N 1 0 211.309 0.993 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2ccc(C#N)cn2)C1 ZINC000158344421 384435011 /nfs/dbraw/zinc/43/50/11/384435011.db2.gz PDRGZLOBMXTCOS-UHFFFAOYSA-N 1 0 230.271 0.339 20 30 BCEDRO C#CCCNC(=O)[C@H]1CC[NH2+][C@H]1C(C)C ZINC000368103318 533066345 /nfs/dbraw/zinc/06/63/45/533066345.db2.gz UWYLJOZXGKPDBC-QWRGUYRKSA-N 1 0 208.305 0.760 20 30 BCEDRO CNC(NCCN1CCc2ccccc2C1)=[NH+]C ZINC000161493285 384496117 /nfs/dbraw/zinc/49/61/17/384496117.db2.gz NLMNJLMPBSMGLI-UHFFFAOYSA-N 1 0 246.358 0.840 20 30 BCEDRO C=CCn1cc(C(=O)N(C)C2CC([NH3+])C2)nn1 ZINC000648146767 384496121 /nfs/dbraw/zinc/49/61/21/384496121.db2.gz LAQATFISVMMCNO-UHFFFAOYSA-N 1 0 235.291 0.026 20 30 BCEDRO C[C@H](O)C[N@@H+]1CCN(CCCC#N)[C@@H](C)C1 ZINC000249520727 384511299 /nfs/dbraw/zinc/51/12/99/384511299.db2.gz VETYFPUCVFWGLS-RYUDHWBXSA-N 1 0 225.336 0.677 20 30 BCEDRO Cc1nc(C(=O)N2CC[NH2+]CC2)ccc1C#N ZINC000082652859 384517811 /nfs/dbraw/zinc/51/78/11/384517811.db2.gz AIMJZYPQZPAIJH-UHFFFAOYSA-N 1 0 230.271 0.307 20 30 BCEDRO C=CCNC(=[NH2+])N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249785887 384521651 /nfs/dbraw/zinc/52/16/51/384521651.db2.gz MCQCUONBBAAHCA-IVZWLZJFSA-N 1 0 209.293 0.644 20 30 BCEDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)c(C)n2)C1 ZINC000573262677 384528231 /nfs/dbraw/zinc/52/82/31/384528231.db2.gz SSBFVRPTOZBHIA-LLVKDONJSA-N 1 0 244.298 0.696 20 30 BCEDRO O=C(Nc1nncs1)[C@@H]1CSCN1 ZINC000019814131 384540883 /nfs/dbraw/zinc/54/08/83/384540883.db2.gz BKAXULMYILMNTB-BYPYZUCNSA-N 1 0 216.291 0.789 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](CC)Cn1cncn1 ZINC000309731024 384569140 /nfs/dbraw/zinc/56/91/40/384569140.db2.gz ZYUNVEMPQFAPPM-GHMZBOCLSA-N 1 0 224.308 0.583 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000070558771 384583393 /nfs/dbraw/zinc/58/33/93/384583393.db2.gz CLCDHVLXQBFVNJ-LBPRGKRZSA-N 1 0 220.272 0.655 20 30 BCEDRO CO[C@@H]1C[C@@H](CO)N(CC2(C#N)CC2)C1 ZINC000408037414 384607536 /nfs/dbraw/zinc/60/75/36/384607536.db2.gz DCBQQCHJPVBDQX-VHSXEESVSA-N 1 0 210.277 0.372 20 30 BCEDRO C[NH+](C)[C@H]1CCN(S(=O)(=O)CCCC#N)C1 ZINC000111339275 384610493 /nfs/dbraw/zinc/61/04/93/384610493.db2.gz GBXDJBGBIAZQTJ-JTQLQIEISA-N 1 0 245.348 0.256 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491382171 384615576 /nfs/dbraw/zinc/61/55/76/384615576.db2.gz HSASIPVLDBYXHP-MNOVXSKESA-N 1 0 235.331 0.886 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000491384822 384653239 /nfs/dbraw/zinc/65/32/39/384653239.db2.gz PSUHDIIAHLGLGD-YPMHNXCESA-N 1 0 236.315 0.283 20 30 BCEDRO CCCC[N@H+](C)CCNc1ccnc(C#N)n1 ZINC000565725724 384684948 /nfs/dbraw/zinc/68/49/48/384684948.db2.gz JRPNARPNUZYLFQ-UHFFFAOYSA-N 1 0 233.319 0.914 20 30 BCEDRO C[C@@H](O)C[NH+]1CCN(Cc2ccc(C#N)o2)CC1 ZINC000188728365 384697831 /nfs/dbraw/zinc/69/78/31/384697831.db2.gz SLGJUBPFCRYUDH-LLVKDONJSA-N 1 0 249.314 0.650 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000189284424 384699921 /nfs/dbraw/zinc/69/99/21/384699921.db2.gz SIURKLSFNPOYBO-SRVKXCTJSA-N 1 0 238.331 0.481 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@H](c1cccnc1)C1CC1 ZINC000445811316 384741598 /nfs/dbraw/zinc/74/15/98/384741598.db2.gz RCIHZYGEXAWBKG-ZDUSSCGKSA-N 1 0 244.298 0.762 20 30 BCEDRO CN(CCC#N)C[C@@H](O)Cn1cccn1 ZINC000083218996 384751955 /nfs/dbraw/zinc/75/19/55/384751955.db2.gz BGNJLFDVYOILFI-SNVBAGLBSA-N 1 0 208.265 0.089 20 30 BCEDRO CC#CCC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000155980362 384780074 /nfs/dbraw/zinc/78/00/74/384780074.db2.gz FJSWQNFKAZNDAN-SNVBAGLBSA-N 1 0 207.277 0.109 20 30 BCEDRO CC[C@@H]1[C@@H](C(=O)N(C)CC#N)CC[N@@H+]1C ZINC000601024104 384828551 /nfs/dbraw/zinc/82/85/51/384828551.db2.gz RPBLYMJUCVYKJM-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO COC[C@H](O)C[NH2+]CC(C)(C)CCC#N ZINC000126898150 384829668 /nfs/dbraw/zinc/82/96/68/384829668.db2.gz AUGNFTVTDXAYPL-SNVBAGLBSA-N 1 0 214.309 0.913 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000126918983 384829797 /nfs/dbraw/zinc/82/97/97/384829797.db2.gz PRBDEFYPNYNUEX-SECBINFHSA-N 1 0 212.318 0.173 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1F ZINC000491418737 384782254 /nfs/dbraw/zinc/78/22/54/384782254.db2.gz SABCWHPVJWFSSY-GHMZBOCLSA-N 1 0 226.295 0.996 20 30 BCEDRO C=CCCOCC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000648189412 384800792 /nfs/dbraw/zinc/80/07/92/384800792.db2.gz QJTRZNYIFSCJFZ-ZJUUUORDSA-N 1 0 214.309 0.821 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1cccc(C#N)c1 ZINC000104165496 384808224 /nfs/dbraw/zinc/80/82/24/384808224.db2.gz UIQKVYBZAAFEIP-SNVBAGLBSA-N 1 0 246.314 0.997 20 30 BCEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](CO)C(C)C ZINC000156365401 384855315 /nfs/dbraw/zinc/85/53/15/384855315.db2.gz VGKHOBUNDAQWFH-LLVKDONJSA-N 1 0 241.335 0.355 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@]12CCOC2=O ZINC000186656316 384865640 /nfs/dbraw/zinc/86/56/40/384865640.db2.gz UJERHYXKHNYQAA-GFCCVEGCSA-N 1 0 238.287 0.070 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCCC#N ZINC000491473824 384953603 /nfs/dbraw/zinc/95/36/03/384953603.db2.gz HVDNLAAYVXEXQX-UHFFFAOYSA-N 1 0 207.277 0.409 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000491465355 384943520 /nfs/dbraw/zinc/94/35/20/384943520.db2.gz WFYLCJSHRVSSPV-GHMZBOCLSA-N 1 0 238.331 0.529 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[C@@H](C[NH3+])C2)nn1 ZINC000648148559 385001683 /nfs/dbraw/zinc/00/16/83/385001683.db2.gz OXDMHHMXAHAVMG-NXEZZACHSA-N 1 0 249.318 0.321 20 30 BCEDRO CC#CCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000644617985 385006981 /nfs/dbraw/zinc/00/69/81/385006981.db2.gz LOZAYPUADJXNHQ-GFCCVEGCSA-N 1 0 241.331 0.546 20 30 BCEDRO CN(c1cc(C#N)ncn1)[C@@H]1CCC[N@H+](C)C1 ZINC000258723853 385018749 /nfs/dbraw/zinc/01/87/49/385018749.db2.gz GNXMQQSREBEVFO-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1cc(C)no1 ZINC000491494502 385019021 /nfs/dbraw/zinc/01/90/21/385019021.db2.gz CYCVKLFIPRHPCU-UHFFFAOYSA-N 1 0 235.287 0.255 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(C#N)s1 ZINC000491181677 385061961 /nfs/dbraw/zinc/06/19/61/385061961.db2.gz VKLURRWYADGQNL-UHFFFAOYSA-N 1 0 247.323 0.849 20 30 BCEDRO CC[N@H+](CC(=O)NCC1(C#N)CC1)C1CC1 ZINC000559609773 385064754 /nfs/dbraw/zinc/06/47/54/385064754.db2.gz HVULNJAMOHJJEG-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC1(O)CCOCC1 ZINC000644660155 385069514 /nfs/dbraw/zinc/06/95/14/385069514.db2.gz LNPXTFLMXYJATN-MNOVXSKESA-N 1 0 227.304 0.461 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3nccnc3C#N)C[C@@H]21 ZINC000364308085 385029268 /nfs/dbraw/zinc/02/92/68/385029268.db2.gz OPNPWQGEYIGUII-JQWIXIFHSA-N 1 0 243.314 0.879 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000334144393 385039309 /nfs/dbraw/zinc/03/93/09/385039309.db2.gz XRQSIPAJWGYSIU-VHSXEESVSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000334144191 385044265 /nfs/dbraw/zinc/04/42/65/385044265.db2.gz XRQSIPAJWGYSIU-NXEZZACHSA-N 1 0 211.309 0.954 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC[C@@H]1C ZINC000088696669 385142785 /nfs/dbraw/zinc/14/27/85/385142785.db2.gz LGKLEIOGQSVXLF-QWRGUYRKSA-N 1 0 208.305 0.904 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000559636959 385090143 /nfs/dbraw/zinc/09/01/43/385090143.db2.gz SAZHXTMIFHHVIH-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO N#Cc1cccc(C[NH2+]C2(C(N)=O)CC2)c1 ZINC000177736091 385091726 /nfs/dbraw/zinc/09/17/26/385091726.db2.gz CWPTVUHLRLHOFG-UHFFFAOYSA-N 1 0 215.256 0.666 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000246036123 385094967 /nfs/dbraw/zinc/09/49/67/385094967.db2.gz AEAFTWANLDSKLR-QJPTWQEYSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)SC ZINC000294061978 533105510 /nfs/dbraw/zinc/10/55/10/533105510.db2.gz VDZPGYVEYWEISX-SNVBAGLBSA-N 1 0 228.361 0.809 20 30 BCEDRO C=CCC1(C(=O)NC[C@@H](C)[NH3+])CCOCC1 ZINC000647023322 385157985 /nfs/dbraw/zinc/15/79/85/385157985.db2.gz XEEBQYDWIFFTSH-SNVBAGLBSA-N 1 0 226.320 0.823 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCN(C)[C@@H](C)[C@H]1C ZINC000491616833 385160998 /nfs/dbraw/zinc/16/09/98/385160998.db2.gz BWQSOZRXUINKTE-NWDGAFQWSA-N 1 0 237.347 0.150 20 30 BCEDRO Cn1cc(C[NH2+][C@@H]2CCCCNC2=O)cc1C#N ZINC000189583054 385201186 /nfs/dbraw/zinc/20/11/86/385201186.db2.gz PTFGKKQVLLMLGR-GFCCVEGCSA-N 1 0 246.314 0.655 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1c(C)noc1C ZINC000293934159 533107840 /nfs/dbraw/zinc/10/78/40/533107840.db2.gz IGSAYPSXSGPZBF-UHFFFAOYSA-N 1 0 249.314 0.976 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1cc(C#N)ccn1 ZINC000287617784 385208688 /nfs/dbraw/zinc/20/86/88/385208688.db2.gz XYMCYNALSGYDKA-UHFFFAOYSA-N 1 0 232.287 0.635 20 30 BCEDRO C[C@@H](CCO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189597033 385217906 /nfs/dbraw/zinc/21/79/06/385217906.db2.gz UUDMGMRWCCMKSG-VIFPVBQESA-N 1 0 207.277 0.757 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000157656887 385240718 /nfs/dbraw/zinc/24/07/18/385240718.db2.gz JXJVZUAGRDVIJX-QMMMGPOBSA-N 1 0 202.685 0.997 20 30 BCEDRO C[C@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308889851 385244495 /nfs/dbraw/zinc/24/44/95/385244495.db2.gz XEHGONFTZJLUFQ-KXUCPTDWSA-N 1 0 230.333 0.701 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000308893269 385247652 /nfs/dbraw/zinc/24/76/52/385247652.db2.gz YNQXSAKROSBSRW-UWVGGRQHSA-N 1 0 235.349 0.194 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1ccc(C#N)c(C)c1 ZINC000338478757 385248659 /nfs/dbraw/zinc/24/86/59/385248659.db2.gz WESAUQUZEYXUTJ-CYBMUJFWSA-N 1 0 234.299 0.964 20 30 BCEDRO COC[C@H](CO)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000330363811 385252296 /nfs/dbraw/zinc/25/22/96/385252296.db2.gz UFUOQQYIKVYFHQ-DCAQKATOSA-N 1 0 212.293 0.666 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCC[NH2+]CCOC ZINC000491266802 385289125 /nfs/dbraw/zinc/28/91/25/385289125.db2.gz QPSLRRAGEUIFJQ-LLVKDONJSA-N 1 0 241.335 0.324 20 30 BCEDRO COc1cc(C#N)ccc1C[N@H+](C)CCO ZINC000120601300 385337849 /nfs/dbraw/zinc/33/78/49/385337849.db2.gz LECAASFUDVEEDD-UHFFFAOYSA-N 1 0 220.272 0.991 20 30 BCEDRO C=CCOCCCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158152295 385343513 /nfs/dbraw/zinc/34/35/13/385343513.db2.gz ZAEDJMIXOWDVCR-LLVKDONJSA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3CN(C)C[C@H]32)C1=O ZINC000644733324 385344268 /nfs/dbraw/zinc/34/42/68/385344268.db2.gz NTUSYHSCRQZFAQ-FRRDWIJNSA-N 1 0 249.358 0.409 20 30 BCEDRO C[N@H+]([C@@H]1CC[C@H](C#N)C1)[C@@H]1COC[C@H]1O ZINC000407997853 385344504 /nfs/dbraw/zinc/34/45/04/385344504.db2.gz OPSPYUXHEXPDJA-LNFKQOIKSA-N 1 0 210.277 0.370 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H]3CN(C)C[C@@H]32)C1=O ZINC000644733322 385344522 /nfs/dbraw/zinc/34/45/22/385344522.db2.gz NTUSYHSCRQZFAQ-AVGNSLFASA-N 1 0 249.358 0.409 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000280691400 385358518 /nfs/dbraw/zinc/35/85/18/385358518.db2.gz BFJFJLCRAABLHQ-NHCYSSNCSA-N 1 0 226.320 0.821 20 30 BCEDRO C[N@H+](CCOc1cccc(C#N)c1)CCC(N)=O ZINC000264712339 385358995 /nfs/dbraw/zinc/35/89/95/385358995.db2.gz LFGHJGRQAFNZAA-UHFFFAOYSA-N 1 0 247.298 0.744 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cnn(CCC)c1 ZINC000309046435 385389887 /nfs/dbraw/zinc/38/98/87/385389887.db2.gz OXEFBBZAJRGQLP-NSHDSACASA-N 1 0 209.293 0.930 20 30 BCEDRO N#CCNC(=O)[C@@H]1CCC[N@@H+]1C1CCOCC1 ZINC000408002147 385360860 /nfs/dbraw/zinc/36/08/60/385360860.db2.gz LRVNNEGIGLLUQC-NSHDSACASA-N 1 0 237.303 0.270 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N[C@H](C)CC[NH3+] ZINC000491340714 385370826 /nfs/dbraw/zinc/37/08/26/385370826.db2.gz ZQEHKEMGSUYKGE-ZJUUUORDSA-N 1 0 211.309 0.825 20 30 BCEDRO C[NH+](C)[C@@H]1CCN(C(=O)c2ccnc(C#N)c2)C1 ZINC000193137644 385385096 /nfs/dbraw/zinc/38/50/96/385385096.db2.gz YZHNRTPOHZORIT-GFCCVEGCSA-N 1 0 244.298 0.729 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000616234427 385445569 /nfs/dbraw/zinc/44/55/69/385445569.db2.gz VAOAFADPAJFWJW-WCQYABFASA-N 1 0 240.347 0.772 20 30 BCEDRO CN(C)C(=[NH2+])NCCc1nc2ccccc2[nH]1 ZINC000170908311 385454774 /nfs/dbraw/zinc/45/47/74/385454774.db2.gz CNZQCLCFOHLVMY-UHFFFAOYSA-N 1 0 231.303 0.982 20 30 BCEDRO CNC(=O)CNC(=[NH2+])Nc1ccc2c(c1)CCC2 ZINC000170907083 385454886 /nfs/dbraw/zinc/45/48/86/385454886.db2.gz PWUKBUMBGDTDTP-UHFFFAOYSA-N 1 0 246.314 0.648 20 30 BCEDRO CN(C)C(=[NH2+])NCC[C@@H]1c2ccccc2NC1=O ZINC000170907290 385455354 /nfs/dbraw/zinc/45/53/54/385455354.db2.gz PTQHRERYJVIPJE-SNVBAGLBSA-N 1 0 246.314 0.989 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)NCCC[NH2+]CC ZINC000491669915 385427907 /nfs/dbraw/zinc/42/79/07/385427907.db2.gz VCSXTBXHUYVBBH-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO C[NH+]=C(NCCn1ccnc1)N1CCCC1 ZINC000171411945 385483637 /nfs/dbraw/zinc/48/36/37/385483637.db2.gz AYGOUWSGAHWEMS-UHFFFAOYSA-N 1 0 221.308 0.554 20 30 BCEDRO C[NH+]=C(NCc1cc(C)no1)NC1CC1 ZINC000171411669 385483785 /nfs/dbraw/zinc/48/37/85/385483785.db2.gz ZKXHSKRABRYOBT-UHFFFAOYSA-N 1 0 208.265 0.810 20 30 BCEDRO C[NH+](C)CC(=O)N1CCSC[C@@H]1C#N ZINC000334198852 385518611 /nfs/dbraw/zinc/51/86/11/385518611.db2.gz LXYHYIIFOBLAFO-QMMMGPOBSA-N 1 0 213.306 0.016 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H](CCC)[NH2+]C(C)C ZINC000309455325 385588399 /nfs/dbraw/zinc/58/83/99/385588399.db2.gz MGNORVPWGWSUMW-MNOVXSKESA-N 1 0 228.336 0.816 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)c1ccco1 ZINC000491708981 385613781 /nfs/dbraw/zinc/61/37/81/385613781.db2.gz PLAAVCKMNFBNIB-SNVBAGLBSA-N 1 0 236.271 0.042 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000644821151 385630093 /nfs/dbraw/zinc/63/00/93/385630093.db2.gz IIHGDHKKEYKAOB-WDEREUQCSA-N 1 0 224.304 0.352 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+](CCN2C(=O)CCC2=O)C1 ZINC000595611943 385634619 /nfs/dbraw/zinc/63/46/19/385634619.db2.gz PUCSMHNCTUUDIV-LLVKDONJSA-N 1 0 249.314 0.761 20 30 BCEDRO C[C@@H](CC#N)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336677788 385611745 /nfs/dbraw/zinc/61/17/45/385611745.db2.gz WGXWBUWLXXNDMC-CMPLNLGQSA-N 1 0 225.336 0.675 20 30 BCEDRO C#CCNC(NCC1(O)CCCC1)=[NH+]CC ZINC000262814687 533142453 /nfs/dbraw/zinc/14/24/53/533142453.db2.gz WICOBLQWTQSJMN-UHFFFAOYSA-N 1 0 223.320 0.480 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CCNC(=O)C2CC2)C1 ZINC000309572497 385703518 /nfs/dbraw/zinc/70/35/18/385703518.db2.gz NMNZVHCQPSENBK-ONGXEEELSA-N 1 0 221.304 0.794 20 30 BCEDRO C=C[C@@H](CO)[NH2+][C@H]1CCCc2nn(C)cc21 ZINC000309585535 385718316 /nfs/dbraw/zinc/71/83/16/385718316.db2.gz SCOSCNYBQDZYDJ-ONGXEEELSA-N 1 0 221.304 0.934 20 30 BCEDRO C[NH+](C)C[C@H]1CCCN1S(=O)(=O)CCC#N ZINC000408457636 385708791 /nfs/dbraw/zinc/70/87/91/385708791.db2.gz BWBPKEOXPQUGRP-SNVBAGLBSA-N 1 0 245.348 0.256 20 30 BCEDRO N#CCCC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000184790406 385710831 /nfs/dbraw/zinc/71/08/31/385710831.db2.gz GGLRVEKXSOJYOD-NXEZZACHSA-N 1 0 209.293 0.924 20 30 BCEDRO CNC(=O)CC[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000408380520 385786604 /nfs/dbraw/zinc/78/66/04/385786604.db2.gz AEZGGFMIPFBHPK-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491743861 385765056 /nfs/dbraw/zinc/76/50/56/385765056.db2.gz LEHRYGPGFVEWBB-WDEREUQCSA-N 1 0 235.331 0.934 20 30 BCEDRO N#Cc1cncnc1NCC[NH+]1CCC(O)CC1 ZINC000322371578 385767906 /nfs/dbraw/zinc/76/79/06/385767906.db2.gz ZPVXXSFTEHFBMG-UHFFFAOYSA-N 1 0 247.302 0.217 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CC)[C@H]1CCCO1 ZINC000182305551 385775586 /nfs/dbraw/zinc/77/55/86/385775586.db2.gz IEUSLFZSFQMFNA-QJPTWQEYSA-N 1 0 238.331 0.672 20 30 BCEDRO C[C@H](C[S@@](C)=O)[N@H+](C)CCCC#N ZINC000185115618 385719710 /nfs/dbraw/zinc/71/97/10/385719710.db2.gz UNPHTEVXSQXVJS-NOZJJQNGSA-N 1 0 202.323 0.989 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@H](OCCO)C1 ZINC000185028292 385720952 /nfs/dbraw/zinc/72/09/52/385720952.db2.gz UKUABABMAMTHFV-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO CC1(C)CCC[N@H+](CC(=O)NCC#N)C1 ZINC000112702379 385857519 /nfs/dbraw/zinc/85/75/19/385857519.db2.gz YCZWKLDGCIAWQQ-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@H]1C[NH+](CCn2ccnc2)C[C@H](C)N1CC#N ZINC000602854199 385828211 /nfs/dbraw/zinc/82/82/11/385828211.db2.gz NXHIZNLEJUYHKU-STQMWFEESA-N 1 0 247.346 0.801 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000335610585 385828339 /nfs/dbraw/zinc/82/83/39/385828339.db2.gz ZWNVQYJFNPOXRU-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO C=CCn1cc(C(=O)NC2(C[NH3+])CCCC2)nn1 ZINC000647806293 385852646 /nfs/dbraw/zinc/85/26/46/385852646.db2.gz MXTXRAWOHXWTSD-UHFFFAOYSA-N 1 0 249.318 0.465 20 30 BCEDRO CCC(C#N)(CC)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000602482336 385797457 /nfs/dbraw/zinc/79/74/57/385797457.db2.gz FIKWHTNJMJBEHT-SNVBAGLBSA-N 1 0 239.319 0.502 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H](CO)C[NH+]1CCCCC1 ZINC000413795353 385883716 /nfs/dbraw/zinc/88/37/16/385883716.db2.gz BKBTUQQIIXDLDQ-MNOVXSKESA-N 1 0 239.319 0.109 20 30 BCEDRO C=CCN1CC[C@@H](N(C)CCC[NH3+])C1=O ZINC000647847163 385897323 /nfs/dbraw/zinc/89/73/23/385897323.db2.gz CWDAIYLZWJREOW-SNVBAGLBSA-N 1 0 211.309 0.054 20 30 BCEDRO N#Cc1ccnc(NC[C@@H]2CCC[NH2+]2)n1 ZINC000231942351 385906633 /nfs/dbraw/zinc/90/66/33/385906633.db2.gz CDWVEAAOZFREMV-VIFPVBQESA-N 1 0 203.249 0.512 20 30 BCEDRO C[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH+](C)C ZINC000291710213 385923642 /nfs/dbraw/zinc/92/36/42/385923642.db2.gz HLCNDQSKVYXPPP-VIFPVBQESA-N 1 0 234.303 0.814 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC(C)(C)[NH+](C)C ZINC000294530142 385863780 /nfs/dbraw/zinc/86/37/80/385863780.db2.gz ZGYQERDWOOCNBH-JTQLQIEISA-N 1 0 226.320 0.481 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[C@@H]([NH+](C)C)C2)n1 ZINC000231901198 385875338 /nfs/dbraw/zinc/87/53/38/385875338.db2.gz YSDIGSNDQVLSNP-LLVKDONJSA-N 1 0 231.303 0.797 20 30 BCEDRO C=CC(C)(C)C(=O)NCC[N@@H+](C)CCOC ZINC000294684183 385882653 /nfs/dbraw/zinc/88/26/53/385882653.db2.gz WZASBPVKRLLHJL-UHFFFAOYSA-N 1 0 228.336 0.893 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC(C)([NH3+])CC1 ZINC000647927110 385985091 /nfs/dbraw/zinc/98/50/91/385985091.db2.gz ZNMPPGGNTQICOF-JTQLQIEISA-N 1 0 225.336 0.490 20 30 BCEDRO C#CCN1CCC[N@@H+](C2CCOCC2)CC1 ZINC000363241893 533153597 /nfs/dbraw/zinc/15/35/97/533153597.db2.gz PGBIWVRRBJCDKT-UHFFFAOYSA-N 1 0 222.332 0.806 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCN(C(C)C)C1=O ZINC000451609885 385987364 /nfs/dbraw/zinc/98/73/64/385987364.db2.gz WTQYBTUOQFTRFH-UTUOFQBUSA-N 1 0 238.331 0.929 20 30 BCEDRO C#CCN1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000372547715 533152231 /nfs/dbraw/zinc/15/22/31/533152231.db2.gz OKTAQXRSLVTDLJ-UHFFFAOYSA-N 1 0 210.321 0.398 20 30 BCEDRO C#CCN1CC[NH+]([C@H]2CCSC2)CC1 ZINC000366064560 533156269 /nfs/dbraw/zinc/15/62/69/533156269.db2.gz BLAKSPHKJXGCMD-NSHDSACASA-N 1 0 210.346 0.743 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CCC[NH2+]CC2)C1 ZINC000335060698 386027702 /nfs/dbraw/zinc/02/77/02/386027702.db2.gz IULAYAAAAIXSLD-WDEREUQCSA-N 1 0 236.319 0.684 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NC2CC[NH2+]CC2)C1 ZINC000335063924 386035295 /nfs/dbraw/zinc/03/52/95/386035295.db2.gz ZAVOYBRUCMAHNH-GXSJLCMTSA-N 1 0 236.319 0.730 20 30 BCEDRO C[C@H](CNC(=O)c1ccc(C#N)o1)[NH+](C)C ZINC000309263269 386061503 /nfs/dbraw/zinc/06/15/03/386061503.db2.gz BQXOLYKUTPXTAV-MRVPVSSYSA-N 1 0 221.260 0.831 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@@H](C)C[NH2+]C ZINC000237148345 259681616 /nfs/dbraw/zinc/68/16/16/259681616.db2.gz YIFRGRQMPRHWNQ-QWRGUYRKSA-N 1 0 228.336 0.939 20 30 BCEDRO C[C@@H]1CO[C@@H](CO)C[N@@H+]1CCCCC#N ZINC000088092316 386080004 /nfs/dbraw/zinc/08/00/04/386080004.db2.gz KFCSHAYQKZSWDT-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C=CCn1cc(C(=O)NCC[C@@H]2CC[NH2+]C2)nn1 ZINC000647769671 386096673 /nfs/dbraw/zinc/09/66/73/386096673.db2.gz DTRBAKGWEISGEP-JTQLQIEISA-N 1 0 249.318 0.194 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C(C)C)C1CC1 ZINC000293648886 533161321 /nfs/dbraw/zinc/16/13/21/533161321.db2.gz XXIRWDLYXYWCMY-UHFFFAOYSA-N 1 0 208.305 0.999 20 30 BCEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCCC[NH3+] ZINC000571771886 386213435 /nfs/dbraw/zinc/21/34/35/386213435.db2.gz QBNWAXNWPROEGP-JTQLQIEISA-N 1 0 247.298 0.791 20 30 BCEDRO COCC[N@H+](C)CCCNC(=O)[C@@H](C)C#N ZINC000347069451 386215648 /nfs/dbraw/zinc/21/56/48/386215648.db2.gz MZSOSAFOJITNFK-JTQLQIEISA-N 1 0 227.308 0.231 20 30 BCEDRO CC[N@H+](CCNC(=O)[C@H](C)C#N)C(C)C ZINC000347137801 386257863 /nfs/dbraw/zinc/25/78/63/386257863.db2.gz QHULGYZFZBKTJU-SNVBAGLBSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424968997 386258611 /nfs/dbraw/zinc/25/86/11/386258611.db2.gz YQWIMASECGRUNP-WRWGMCAJSA-N 1 0 235.331 0.993 20 30 BCEDRO C[NH+](C)CCNC(=O)COc1ccccc1C#N ZINC000019436564 386199106 /nfs/dbraw/zinc/19/91/06/386199106.db2.gz HTVQAUXEWZXEPH-UHFFFAOYSA-N 1 0 247.298 0.615 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C(C)(C)COCC ZINC000293263413 533163499 /nfs/dbraw/zinc/16/34/99/533163499.db2.gz MZXOEDSXQRYJID-UHFFFAOYSA-N 1 0 226.320 0.531 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(C#N)CCC1 ZINC000416350982 386286618 /nfs/dbraw/zinc/28/66/18/386286618.db2.gz LCYDVQJONWHVMN-QWRGUYRKSA-N 1 0 235.331 0.994 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1ccc(C#N)c(O)c1 ZINC000188211957 386308990 /nfs/dbraw/zinc/30/89/90/386308990.db2.gz FFSSYCVLGGNYFV-UHFFFAOYSA-N 1 0 247.298 0.945 20 30 BCEDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)[C@@H](C)C#N ZINC000416440725 386318614 /nfs/dbraw/zinc/31/86/14/386318614.db2.gz TUQROJBJXJAUMG-JTQLQIEISA-N 1 0 247.364 0.500 20 30 BCEDRO C=CCOCC(=O)NCC1([NH+](C)C)CC1 ZINC000416300434 386264499 /nfs/dbraw/zinc/26/44/99/386264499.db2.gz IVTMWJMQJKSZGH-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000335277528 386343011 /nfs/dbraw/zinc/34/30/11/386343011.db2.gz IWPKXDYWACKZMV-WDEREUQCSA-N 1 0 206.293 0.333 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000170740527 533167723 /nfs/dbraw/zinc/16/77/23/533167723.db2.gz SQPZHRCZVUUCEG-LLVKDONJSA-N 1 0 221.304 0.499 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000173967267 533168512 /nfs/dbraw/zinc/16/85/12/533168512.db2.gz GPNQJBNCXPZIJK-LBPRGKRZSA-N 1 0 235.331 0.747 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000371511427 533169209 /nfs/dbraw/zinc/16/92/09/533169209.db2.gz XDVHKLLPCNUQIF-GHMZBOCLSA-N 1 0 221.304 0.355 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)NCC#Cc1ccccc1 ZINC000416939588 386425405 /nfs/dbraw/zinc/42/54/05/386425405.db2.gz DFLWJRXGQUEOTP-LLVKDONJSA-N 1 0 231.299 0.685 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CS(=O)(=O)CC ZINC000336777401 386427585 /nfs/dbraw/zinc/42/75/85/386427585.db2.gz IIYZMDVTTYXTMU-GHMZBOCLSA-N 1 0 249.376 0.584 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)NCC#Cc1ccccc1 ZINC000416944392 386428305 /nfs/dbraw/zinc/42/83/05/386428305.db2.gz LONSDYGLMRMOIJ-LBPRGKRZSA-N 1 0 245.326 0.932 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@]1(C)C[C@@H]1F ZINC000399266892 386473718 /nfs/dbraw/zinc/47/37/18/386473718.db2.gz FSDGTLZDOSMSGB-CMPLNLGQSA-N 1 0 226.295 0.806 20 30 BCEDRO C=CCSCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417345162 386484649 /nfs/dbraw/zinc/48/46/49/386484649.db2.gz REDKZQVFWXCLRM-VIFPVBQESA-N 1 0 231.365 0.942 20 30 BCEDRO C=CCSCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417347841 386487674 /nfs/dbraw/zinc/48/76/74/386487674.db2.gz WYAMKTOUPCNSSC-JTQLQIEISA-N 1 0 243.376 0.909 20 30 BCEDRO C=CCSCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417348901 386487785 /nfs/dbraw/zinc/48/77/85/386487785.db2.gz ZBGUFYDQFPFZHJ-RKDXNWHRSA-N 1 0 231.365 0.941 20 30 BCEDRO C=CCSCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000417348378 386487852 /nfs/dbraw/zinc/48/78/52/386487852.db2.gz YDUGGBNTHQNLJU-SNVBAGLBSA-N 1 0 243.376 0.942 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1nccn1C ZINC000320786700 386490210 /nfs/dbraw/zinc/49/02/10/386490210.db2.gz SJCHEQBHHYDVLS-SNVBAGLBSA-N 1 0 209.293 0.837 20 30 BCEDRO C=CCOCC(=O)N[C@H](C)CCCC[NH3+] ZINC000336733250 386506830 /nfs/dbraw/zinc/50/68/30/386506830.db2.gz GLJFDKDQIIUMKT-SNVBAGLBSA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(CO)CC1 ZINC000046091387 386508507 /nfs/dbraw/zinc/50/85/07/386508507.db2.gz RXVLLOKMVWCAPM-SNVBAGLBSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CCCC)CC(N)=O ZINC000122862640 386519647 /nfs/dbraw/zinc/51/96/47/386519647.db2.gz WSGSBLCXJKEFNE-NSHDSACASA-N 1 0 228.336 0.901 20 30 BCEDRO C[C@@H]1C[N@H+](CCCCC#N)C[C@@H](C(N)=O)O1 ZINC000122858909 386522667 /nfs/dbraw/zinc/52/26/67/386522667.db2.gz SXJXCYIHJURRIS-ZJUUUORDSA-N 1 0 225.292 0.255 20 30 BCEDRO CC#CC[N@H+](C)CCN1CCO[C@@H](C)C1 ZINC000339759238 386593778 /nfs/dbraw/zinc/59/37/78/386593778.db2.gz XXCGMYJDRIWRGR-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO C=C(C)CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000335457810 386536652 /nfs/dbraw/zinc/53/66/52/386536652.db2.gz ZDWYKPXDCOECIQ-LLVKDONJSA-N 1 0 223.276 0.237 20 30 BCEDRO C=CCC(C)(C)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000519702002 386537651 /nfs/dbraw/zinc/53/76/51/386537651.db2.gz HCZGIANYCCSSMV-QWRGUYRKSA-N 1 0 240.347 0.722 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(CCO)C1CC1 ZINC000048065224 386566284 /nfs/dbraw/zinc/56/62/84/386566284.db2.gz CHVIUUDKQDUEGB-UHFFFAOYSA-N 1 0 238.331 0.644 20 30 BCEDRO C=C(C)CNC(=O)CCN1CC[NH+](CC)CC1 ZINC000428120753 386660659 /nfs/dbraw/zinc/66/06/59/386660659.db2.gz UERKBSCKPFKYSS-UHFFFAOYSA-N 1 0 239.363 0.706 20 30 BCEDRO CC#CC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000293998409 386674069 /nfs/dbraw/zinc/67/40/69/386674069.db2.gz XBICVAAMNFKKPB-LBPRGKRZSA-N 1 0 206.289 0.564 20 30 BCEDRO C=CCC[N@H+]1CCC[C@H](n2cnc(C(N)=O)n2)C1 ZINC000330419843 386709395 /nfs/dbraw/zinc/70/93/95/386709395.db2.gz CQFMRHAKKFUXAD-JTQLQIEISA-N 1 0 249.318 0.590 20 30 BCEDRO CCNC(=O)NC(=O)C[NH2+][C@H](C)[C@H]1CCOC1 ZINC000330418009 386710389 /nfs/dbraw/zinc/71/03/89/386710389.db2.gz WDLAONLVJSZNKA-BDAKNGLRSA-N 1 0 243.307 0.051 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)C(C)(C)C)C1=O ZINC000330389177 386696951 /nfs/dbraw/zinc/69/69/51/386696951.db2.gz NSEAGSCYYGYATI-QWRGUYRKSA-N 1 0 240.347 0.770 20 30 BCEDRO CC[NH+]1CCC(NC(=O)NCCC(N)=O)CC1 ZINC000330397513 386702635 /nfs/dbraw/zinc/70/26/35/386702635.db2.gz SJVKRBVCKLLJFH-UHFFFAOYSA-N 1 0 242.323 0.900 20 30 BCEDRO Cc1cc(C#N)ccc1C[NH2+]C1(C(N)=O)CC1 ZINC000186324705 386704556 /nfs/dbraw/zinc/70/45/56/386704556.db2.gz ASXDVMDYIKIJOH-UHFFFAOYSA-N 1 0 229.283 0.974 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1cnnn1C ZINC000321154043 386708029 /nfs/dbraw/zinc/70/80/29/386708029.db2.gz VQQCDTRLXMKDRP-VIFPVBQESA-N 1 0 210.281 0.232 20 30 BCEDRO CCN(CCO)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000330484555 386733139 /nfs/dbraw/zinc/73/31/39/386733139.db2.gz YAUSUCIWHLDUCR-SNVBAGLBSA-N 1 0 229.324 0.309 20 30 BCEDRO CC[NH+]1CCC(NC(=O)NC[C@@H](C)CO)CC1 ZINC000330480887 386733245 /nfs/dbraw/zinc/73/32/45/386733245.db2.gz SVNNAVWPHJGHFQ-SNVBAGLBSA-N 1 0 243.351 0.603 20 30 BCEDRO Cc1cc(C#N)ccc1C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000186334519 386715526 /nfs/dbraw/zinc/71/55/26/386715526.db2.gz VAYPEVPQGRLZKL-KBPBESRZSA-N 1 0 246.310 0.794 20 30 BCEDRO C[C@@H](C(=O)NCC#CCO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000330457708 386718149 /nfs/dbraw/zinc/71/81/49/386718149.db2.gz OXXYPKQQVAGPIG-TUAOUCFPSA-N 1 0 238.331 0.360 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330459913 386720152 /nfs/dbraw/zinc/72/01/52/386720152.db2.gz USRNQHNBYCELEG-SNVBAGLBSA-N 1 0 227.308 0.397 20 30 BCEDRO N#CCCN1CCC[C@](O)(Cn2ccnn2)C1 ZINC000330510373 386745941 /nfs/dbraw/zinc/74/59/41/386745941.db2.gz ATCYGEKCBKGTGT-LLVKDONJSA-N 1 0 235.291 0.019 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@H]1CCC[C@H]1OC(F)F ZINC000348520553 386746926 /nfs/dbraw/zinc/74/69/26/386746926.db2.gz KNQFVXHBAYNUJP-JGVFFNPUSA-N 1 0 247.245 0.376 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1OC(F)F ZINC000348520552 386747449 /nfs/dbraw/zinc/74/74/49/386747449.db2.gz KNQFVXHBAYNUJP-HTQZYQBOSA-N 1 0 247.245 0.376 20 30 BCEDRO C=CCCOCCNC(=O)N[C@H](C)CC[NH3+] ZINC000417955027 386761954 /nfs/dbraw/zinc/76/19/54/386761954.db2.gz GJLHLDPEHUWPRL-SNVBAGLBSA-N 1 0 229.324 0.616 20 30 BCEDRO CO[C@H]1C[C@@H](C(=O)NCCCC#N)[N@H+](C)C1 ZINC000330556204 386768868 /nfs/dbraw/zinc/76/88/68/386768868.db2.gz GXYUDYAAZNWQNB-UWVGGRQHSA-N 1 0 225.292 0.125 20 30 BCEDRO Cn1nncc1C(=O)NCCC[NH+](C)C ZINC000330577973 386796175 /nfs/dbraw/zinc/79/61/75/386796175.db2.gz JBFVUPKSTHENEJ-UHFFFAOYSA-N 1 0 211.269 0.071 20 30 BCEDRO CC(C)[C@H](C(=O)N1CC(C)(C#N)C1)[NH+](C)C ZINC000334639759 386781588 /nfs/dbraw/zinc/78/15/88/386781588.db2.gz FIUAGXPTRAMHGV-SNVBAGLBSA-N 1 0 223.320 0.945 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCCCC#N ZINC000418002174 386822301 /nfs/dbraw/zinc/82/23/01/386822301.db2.gz LWWKBCUJTKHJPL-ZJUUUORDSA-N 1 0 224.308 0.587 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](O)CC(C)(C)C1 ZINC000395364305 386823248 /nfs/dbraw/zinc/82/32/48/386823248.db2.gz MQQJCUDYNBTNKC-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000344909721 386802039 /nfs/dbraw/zinc/80/20/39/386802039.db2.gz MMWPFZSNLQVTMP-VIFPVBQESA-N 1 0 220.338 0.432 20 30 BCEDRO C[C@@H](CNC(=O)N[C@@H]1CCC[C@H]1C#N)[NH+](C)C ZINC000458644403 386802317 /nfs/dbraw/zinc/80/23/17/386802317.db2.gz JBAJPKDKVNBWAA-GARJFASQSA-N 1 0 238.335 0.928 20 30 BCEDRO C[NH+](C)[C@@H]1CC[C@H](NC(=O)NCCC(N)=O)C1 ZINC000330604425 386807328 /nfs/dbraw/zinc/80/73/28/386807328.db2.gz IRNUYHQJQWGZJX-DTWKUNHWSA-N 1 0 242.323 0.898 20 30 BCEDRO CCC[N@@H+]1CCC[C@H]1CNC(=O)CC#N ZINC000330683757 386830134 /nfs/dbraw/zinc/83/01/34/386830134.db2.gz JDEGXDZOWMMVOU-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO CC[C@H]([NH2+]CC(=O)NCC#N)C1CCOCC1 ZINC000330684074 386830811 /nfs/dbraw/zinc/83/08/11/386830811.db2.gz JLHIROQUXPUQAF-NSHDSACASA-N 1 0 239.319 0.421 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(=[NH2+])NCCOC ZINC000280666910 386835652 /nfs/dbraw/zinc/83/56/52/386835652.db2.gz YCZAFVJNVSCUTP-QWRGUYRKSA-N 1 0 241.335 0.518 20 30 BCEDRO C=CCCOCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417959917 386843254 /nfs/dbraw/zinc/84/32/54/386843254.db2.gz MHRTVFRGXKGAKJ-VHSXEESVSA-N 1 0 229.324 0.614 20 30 BCEDRO N#C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000330802252 386891692 /nfs/dbraw/zinc/89/16/92/386891692.db2.gz ARXQUAYMYCVOSX-SDDRHHMPSA-N 1 0 234.303 0.526 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)Cn1cccn1 ZINC000330802253 386892185 /nfs/dbraw/zinc/89/21/85/386892185.db2.gz ARXQUAYMYCVOSX-SRVKXCTJSA-N 1 0 234.303 0.526 20 30 BCEDRO CCn1nccc1NC(=O)NCC[NH+](C)C ZINC000330761727 386879157 /nfs/dbraw/zinc/87/91/57/386879157.db2.gz NOMGHTFNHGUYMZ-UHFFFAOYSA-N 1 0 225.296 0.791 20 30 BCEDRO CCCCN1CCOC[C@@H]1C(=O)NCCC#N ZINC000330776590 386883222 /nfs/dbraw/zinc/88/32/22/386883222.db2.gz TTYHWBWWIKCMJS-LLVKDONJSA-N 1 0 239.319 0.517 20 30 BCEDRO CCCCN1CCOC[C@H]1C(=O)NCCC#N ZINC000330776591 386884968 /nfs/dbraw/zinc/88/49/68/386884968.db2.gz TTYHWBWWIKCMJS-NSHDSACASA-N 1 0 239.319 0.517 20 30 BCEDRO C[C@H](C[NH+]1CCOCC1)C(=O)NCCCC#N ZINC000330797821 386890274 /nfs/dbraw/zinc/89/02/74/386890274.db2.gz CDWSBCUMALJFHS-LLVKDONJSA-N 1 0 239.319 0.375 20 30 BCEDRO N#C[C@H]1CCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000330816224 386896957 /nfs/dbraw/zinc/89/69/57/386896957.db2.gz GFMHECPBURKLKB-RKDXNWHRSA-N 1 0 236.275 0.024 20 30 BCEDRO Cc1cc(C#N)nc(NCCN2CCOCC2)n1 ZINC000049657642 386994792 /nfs/dbraw/zinc/99/47/92/386994792.db2.gz KUWWIVJNZWSMMV-UHFFFAOYSA-N 1 0 247.302 0.401 20 30 BCEDRO C=CC(C)(C)CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000334955228 387033624 /nfs/dbraw/zinc/03/36/24/387033624.db2.gz MSACAMVAGSOKTD-SECBINFHSA-N 1 0 211.309 0.941 20 30 BCEDRO C#CC[C@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000367409611 533209105 /nfs/dbraw/zinc/20/91/05/533209105.db2.gz HPAVMUQRFNFFDL-NSHDSACASA-N 1 0 235.331 0.888 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[NH2+][C@H](C)C1 ZINC000418036084 387062013 /nfs/dbraw/zinc/06/20/13/387062013.db2.gz VNCORNMEFUCYRZ-GHMZBOCLSA-N 1 0 223.320 0.840 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418037872 387065740 /nfs/dbraw/zinc/06/57/40/387065740.db2.gz XWZRZOKIMSQVMH-JTQLQIEISA-N 1 0 209.293 0.451 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000418039005 387071299 /nfs/dbraw/zinc/07/12/99/387071299.db2.gz ZBEGSSZNEVIHJN-WDEREUQCSA-N 1 0 223.320 0.826 20 30 BCEDRO C=CCCCNC(=O)N1CCC[NH2+]CC1 ZINC000418100451 387131291 /nfs/dbraw/zinc/13/12/91/387131291.db2.gz PPXLISYYIVPOHX-UHFFFAOYSA-N 1 0 211.309 0.958 20 30 BCEDRO C=C(CC)CNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000334946474 387109279 /nfs/dbraw/zinc/10/92/79/387109279.db2.gz BYNHPSUHARFORB-MNOVXSKESA-N 1 0 223.320 0.956 20 30 BCEDRO CCC[N@H+](C)CC(=O)N(CCC#N)CCC#N ZINC000069072518 387112897 /nfs/dbraw/zinc/11/28/97/387112897.db2.gz CYBXNCMAXGHZFZ-UHFFFAOYSA-N 1 0 236.319 0.984 20 30 BCEDRO C=CCCCNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000418102221 387118823 /nfs/dbraw/zinc/11/88/23/387118823.db2.gz UAAYFPACCSMKPV-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCCCNC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000418098992 387129724 /nfs/dbraw/zinc/12/97/24/387129724.db2.gz MUNVTRLOTVTHCX-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000120468795 387186416 /nfs/dbraw/zinc/18/64/16/387186416.db2.gz WRLGEPGVLIHWSN-NSHDSACASA-N 1 0 246.376 0.824 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2C[NH2+]CC[C@H]2C)nn1 ZINC000648111538 387138944 /nfs/dbraw/zinc/13/89/44/387138944.db2.gz XEGLDBYJXIMLLT-ZJUUUORDSA-N 1 0 249.318 0.192 20 30 BCEDRO C=CCn1nnnc1SC[C@@H]1CC[N@@H+](C)C1 ZINC000187681733 387224851 /nfs/dbraw/zinc/22/48/51/387224851.db2.gz JUUOIRAEDGZTHH-SECBINFHSA-N 1 0 239.348 0.903 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)C1(C#N)CCCC1 ZINC000572053268 387225106 /nfs/dbraw/zinc/22/51/06/387225106.db2.gz JYGDXFLSBWPZEO-VIFPVBQESA-N 1 0 209.293 0.781 20 30 BCEDRO N#CCCN[C@H]1CCC[N@@H+](CCCO)C1 ZINC000572158524 387253465 /nfs/dbraw/zinc/25/34/65/387253465.db2.gz XGFFODJHVUWKMS-NSHDSACASA-N 1 0 211.309 0.336 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000063124760 387267885 /nfs/dbraw/zinc/26/78/85/387267885.db2.gz JBQJWXOQMIKQIQ-JTQLQIEISA-N 1 0 223.320 0.946 20 30 BCEDRO N#Cc1cccc(C[NH+]2[C@H](CO)CC[C@H]2CO)c1 ZINC000347284636 387272590 /nfs/dbraw/zinc/27/25/90/387272590.db2.gz ZFHHDLOQFGPOHI-KBPBESRZSA-N 1 0 246.310 0.876 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C[C@@H]1CCCO1 ZINC000392756694 387281144 /nfs/dbraw/zinc/28/11/44/387281144.db2.gz IINCGOSKCGFYAG-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C[NH+](C)CC(C)(C)NC(=O)NCC1(C#N)CC1 ZINC000514844066 387302412 /nfs/dbraw/zinc/30/24/12/387302412.db2.gz NXIRJEUTPDXJPO-UHFFFAOYSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC1(C#N)CC1 ZINC000515460765 387385052 /nfs/dbraw/zinc/38/50/52/387385052.db2.gz GCFJFTVKMGGRPB-VHSXEESVSA-N 1 0 236.319 0.682 20 30 BCEDRO N#CCC1(C[N@H+]2CCOC[C@H](O)C2)CC1 ZINC000399890058 387330845 /nfs/dbraw/zinc/33/08/45/387330845.db2.gz IZSNAESZADHPJD-SNVBAGLBSA-N 1 0 210.277 0.373 20 30 BCEDRO C[N@H+](CCC(N)=O)C[C@H](O)c1ccc(C#N)cc1 ZINC000286615819 387335232 /nfs/dbraw/zinc/33/52/32/387335232.db2.gz XIMYWBIVQCKAQJ-LBPRGKRZSA-N 1 0 247.298 0.399 20 30 BCEDRO C=C(C)CN1CCC([NH2+]C[C@H](O)COC)CC1 ZINC000515234249 387352019 /nfs/dbraw/zinc/35/20/19/387352019.db2.gz DWEOYBROKRSJSA-ZDUSSCGKSA-N 1 0 242.363 0.624 20 30 BCEDRO C#CCC[N@H+]1CCSC[C@H]1CC(=O)OC ZINC000270459679 387429335 /nfs/dbraw/zinc/42/93/35/387429335.db2.gz ADTONRYMWOZXIG-SNVBAGLBSA-N 1 0 227.329 0.990 20 30 BCEDRO C#CCC[N@H+]1CCCN(Cc2cnn(C)c2)CC1 ZINC000270590760 387433845 /nfs/dbraw/zinc/43/38/45/387433845.db2.gz KGIZUWYHQOWWBO-UHFFFAOYSA-N 1 0 246.358 0.951 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000515867260 387436667 /nfs/dbraw/zinc/43/66/67/387436667.db2.gz JWTHRCOSAKMHRZ-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[N@H+](CC)CCCOC(=O)NC(N)=O ZINC000271420535 387443686 /nfs/dbraw/zinc/44/36/86/387443686.db2.gz YHDQJYMONIRQOT-UHFFFAOYSA-N 1 0 227.264 0.137 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CCC[C@](C)(O)C1 ZINC000300769924 387444527 /nfs/dbraw/zinc/44/45/27/387444527.db2.gz ASQDEIKQCKGLRQ-KOLCDFICSA-N 1 0 213.277 0.561 20 30 BCEDRO C=CCOc1cccnc1C(=O)NC[C@H](C)[NH2+]C ZINC000423625117 387389153 /nfs/dbraw/zinc/38/91/53/387389153.db2.gz FAIRHYDUDBNNLO-JTQLQIEISA-N 1 0 249.314 0.984 20 30 BCEDRO C=CCCC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000264519149 387390767 /nfs/dbraw/zinc/39/07/67/387390767.db2.gz MPXVXEFHAJTFSG-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCCC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000264519152 387391925 /nfs/dbraw/zinc/39/19/25/387391925.db2.gz MPXVXEFHAJTFSG-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000273980631 387462488 /nfs/dbraw/zinc/46/24/88/387462488.db2.gz KTBUAURVVCJYOX-LLVKDONJSA-N 1 0 221.304 0.546 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000273529593 387460581 /nfs/dbraw/zinc/46/05/81/387460581.db2.gz VZUXOGKJRZCOAM-QWRGUYRKSA-N 1 0 228.336 0.626 20 30 BCEDRO CC#CCC[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000361562312 387493628 /nfs/dbraw/zinc/49/36/28/387493628.db2.gz HYVBSLUTBFXCDJ-RYUDHWBXSA-N 1 0 211.305 0.872 20 30 BCEDRO CN(CC[NH+](C)C)c1ccc(C#N)nn1 ZINC000302012249 387497498 /nfs/dbraw/zinc/49/74/98/387497498.db2.gz WVXHVNFUKCUKHL-UHFFFAOYSA-N 1 0 205.265 0.346 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1(C)CCC1 ZINC000516453291 387512134 /nfs/dbraw/zinc/51/21/34/387512134.db2.gz FYFXEWZJEXFOEU-LBPRGKRZSA-N 1 0 239.363 0.973 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCCC[NH2+]C(C)C ZINC000516554996 387522266 /nfs/dbraw/zinc/52/22/66/387522266.db2.gz ITYOCSPCMWZYIL-NSHDSACASA-N 1 0 243.351 0.611 20 30 BCEDRO CCNC(=O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404139847 387523310 /nfs/dbraw/zinc/52/33/10/387523310.db2.gz ZUXUWGHYLQXLGU-UHFFFAOYSA-N 1 0 235.262 0.923 20 30 BCEDRO C=CCCOCCNC(=O)N1CC[NH2+]CC1 ZINC000417969086 387528665 /nfs/dbraw/zinc/52/86/65/387528665.db2.gz YRXKNKNUJIZIFF-UHFFFAOYSA-N 1 0 227.308 0.194 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)NC[C@@H]1CCCCO1 ZINC000424105618 387529118 /nfs/dbraw/zinc/52/91/18/387529118.db2.gz VRZAERWAHLYGQZ-WDEREUQCSA-N 1 0 239.319 0.693 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000648084700 387532388 /nfs/dbraw/zinc/53/23/88/387532388.db2.gz NSXJZNYNMJGVAR-ZJUUUORDSA-N 1 0 249.318 0.334 20 30 BCEDRO C=C[C@H](C)NC(=O)c1cn(C[C@H]2CCC[NH2+]2)nn1 ZINC000648084699 387532582 /nfs/dbraw/zinc/53/25/82/387532582.db2.gz NSXJZNYNMJGVAR-VHSXEESVSA-N 1 0 249.318 0.334 20 30 BCEDRO CC#CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000277322547 387533207 /nfs/dbraw/zinc/53/32/07/387533207.db2.gz FYJULZLBMYOOJJ-MNOVXSKESA-N 1 0 206.289 0.753 20 30 BCEDRO CC#CC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000277573818 387535660 /nfs/dbraw/zinc/53/56/60/387535660.db2.gz YGBNNANCGYHNBD-UHFFFAOYSA-N 1 0 208.305 0.999 20 30 BCEDRO CC[C@@H]1CN(C(=O)[C@@H]([NH3+])CCCC#N)CCO1 ZINC000424080319 387480461 /nfs/dbraw/zinc/48/04/61/387480461.db2.gz HWALOKSQNNTCKP-MNOVXSKESA-N 1 0 239.319 0.645 20 30 BCEDRO COCCN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424077228 387480645 /nfs/dbraw/zinc/48/06/45/387480645.db2.gz AWEMUCXXRQAHAP-SECBINFHSA-N 1 0 213.281 0.112 20 30 BCEDRO Cn1cc(C[NH2+]CC(=O)NCC2CC2)cc1C#N ZINC000191570763 387490014 /nfs/dbraw/zinc/49/00/14/387490014.db2.gz PPXBPALCBYNANS-UHFFFAOYSA-N 1 0 246.314 0.513 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC[N@H+]1CC=CCC1 ZINC000527520775 387591859 /nfs/dbraw/zinc/59/18/59/387591859.db2.gz UETAIQVXPUDQDT-NSHDSACASA-N 1 0 236.319 0.707 20 30 BCEDRO C=CCCS(=O)(=O)NC(C)(C)CC[NH3+] ZINC000422551215 387598440 /nfs/dbraw/zinc/59/84/40/387598440.db2.gz DFIWXVBXXBTSFU-UHFFFAOYSA-N 1 0 220.338 0.609 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422041656 387547636 /nfs/dbraw/zinc/54/76/36/387547636.db2.gz URCZXPZIPHZHGH-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO C#Cc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)cc1 ZINC000279084511 387558984 /nfs/dbraw/zinc/55/89/84/387558984.db2.gz SZKVQLCEYDBAHH-CYBMUJFWSA-N 1 0 228.295 0.975 20 30 BCEDRO COCCCN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424115801 387559152 /nfs/dbraw/zinc/55/91/52/387559152.db2.gz VWUKSBMZJOABIV-JTQLQIEISA-N 1 0 227.308 0.502 20 30 BCEDRO C=C(Cl)C[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000278939527 387560093 /nfs/dbraw/zinc/56/00/93/387560093.db2.gz UIESXAHJQPBXSD-SNVBAGLBSA-N 1 0 214.696 0.951 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418772275 387571954 /nfs/dbraw/zinc/57/19/54/387571954.db2.gz SRAAZSMBZIGZEN-AEJSXWLSSA-N 1 0 211.309 0.988 20 30 BCEDRO Cn1cc(C[NH2+][C@]2(CCO)CCOC2)cc1C#N ZINC000278104451 387707717 /nfs/dbraw/zinc/70/77/17/387707717.db2.gz AOVJNRPTUSBCSM-CYBMUJFWSA-N 1 0 249.314 0.528 20 30 BCEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCO ZINC000440960086 387715274 /nfs/dbraw/zinc/71/52/74/387715274.db2.gz HIKIJIVIYYTHON-SNVBAGLBSA-N 1 0 239.319 0.252 20 30 BCEDRO C[C@@H](C(=O)NC1(C#N)CCC1)[N@H+](C)CCCO ZINC000440960083 387715973 /nfs/dbraw/zinc/71/59/73/387715973.db2.gz HIKIJIVIYYTHON-JTQLQIEISA-N 1 0 239.319 0.252 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)C[NH3+] ZINC000424153794 387811810 /nfs/dbraw/zinc/81/18/10/387811810.db2.gz LOYUEGWWOCKXBF-BBBLOLIVSA-N 1 0 212.293 0.431 20 30 BCEDRO Cc1cnccc1NC(=O)[C@H]([NH3+])CCCC#N ZINC000424151681 387793769 /nfs/dbraw/zinc/79/37/69/387793769.db2.gz HMNJRMZAAZNGFE-SNVBAGLBSA-N 1 0 232.287 0.772 20 30 BCEDRO C=CC[C@H](C)[NH2+][C@@H]1CCN[C@@H]1C(=O)OCC ZINC000422984851 387795673 /nfs/dbraw/zinc/79/56/73/387795673.db2.gz ZKWCFXXZDHIXQB-AXFHLTTASA-N 1 0 226.320 0.834 20 30 BCEDRO C=C[C@H](C)[NH2+][C@H]1CCN[C@H]1C(=O)OCC ZINC000422990278 387800705 /nfs/dbraw/zinc/80/07/05/387800705.db2.gz NCDOIXFVCLGXIE-LPEHRKFASA-N 1 0 212.293 0.444 20 30 BCEDRO C=CCCC(=O)N[C@@H]1CCC[N@@H+](CCCO)C1 ZINC000452377931 387811779 /nfs/dbraw/zinc/81/17/79/387811779.db2.gz SOLITQBWGWWEBM-GFCCVEGCSA-N 1 0 240.347 0.916 20 30 BCEDRO Cn1ncc(C(=O)NC2CC[NH+](C)CC2)c1C#N ZINC000353685105 387826309 /nfs/dbraw/zinc/82/63/09/387826309.db2.gz MJYLKNNJLYQXFS-UHFFFAOYSA-N 1 0 247.302 0.116 20 30 BCEDRO COC[C@@H]([NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC000353978731 387837459 /nfs/dbraw/zinc/83/74/59/387837459.db2.gz NBFQACDGRPTSHG-SNVBAGLBSA-N 1 0 235.291 0.164 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCC[NH2+]CC ZINC000151434818 387838603 /nfs/dbraw/zinc/83/86/03/387838603.db2.gz ANXOWHDNWVGTRH-JTQLQIEISA-N 1 0 214.309 0.693 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)[C@H]1CCCO1 ZINC000353945783 387838793 /nfs/dbraw/zinc/83/87/93/387838793.db2.gz CJCVVORSHNHBPQ-NXEZZACHSA-N 1 0 235.291 0.307 20 30 BCEDRO CC[N@H+](C)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424164529 387848632 /nfs/dbraw/zinc/84/86/32/387848632.db2.gz ZNMHGOLWBWLGCM-SNVBAGLBSA-N 1 0 226.324 0.075 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CCNC(=O)c2ccn[nH]2)C1 ZINC000442838233 387848727 /nfs/dbraw/zinc/84/87/27/387848727.db2.gz SCCWELAXILPZCV-ZJUUUORDSA-N 1 0 247.302 0.421 20 30 BCEDRO CC(C)OCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424180647 387893717 /nfs/dbraw/zinc/89/37/17/387893717.db2.gz OVGSTKHYRPPUTF-JTQLQIEISA-N 1 0 227.308 0.549 20 30 BCEDRO C=C(CC)CN1CC[NH+](C[C@@H](C)O)CC1 ZINC000444653694 387900641 /nfs/dbraw/zinc/90/06/41/387900641.db2.gz MOLPDJPSWOEKAG-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO CNC(NC[C@H]1CC1(Cl)Cl)=[NH+]C ZINC000306364998 387916156 /nfs/dbraw/zinc/91/61/56/387916156.db2.gz GMIGJRWOHDKABR-RXMQYKEDSA-N 1 0 210.108 0.975 20 30 BCEDRO CSCC[C@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424216054 387933691 /nfs/dbraw/zinc/93/36/91/387933691.db2.gz HQURKBHGZCMVMH-AEJSXWLSSA-N 1 0 241.360 0.875 20 30 BCEDRO C=C(C)CC[NH2+][C@H]1CCN[C@H]1C(=O)OCC ZINC000423154907 387935241 /nfs/dbraw/zinc/93/52/41/387935241.db2.gz PNVLWZYDKIQATJ-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@]1(CO)CCC ZINC000444773204 387926790 /nfs/dbraw/zinc/92/67/90/387926790.db2.gz QIOXXBFMHUKKOS-ZDUSSCGKSA-N 1 0 240.347 0.916 20 30 BCEDRO C=CCSCCNC(=O)NCC[NH+](C)C ZINC000179216732 387928776 /nfs/dbraw/zinc/92/87/76/387928776.db2.gz AKJONGRVRCVZBO-UHFFFAOYSA-N 1 0 231.365 0.766 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C[N@@H+](C)C(C)C ZINC000452929635 387939429 /nfs/dbraw/zinc/93/94/29/387939429.db2.gz NRQVLYJKTKJECE-MNOVXSKESA-N 1 0 226.320 0.786 20 30 BCEDRO C[C@@H](C#N)CN(C)CC[N@@H+]1CCCOCC1 ZINC000438977357 387969787 /nfs/dbraw/zinc/96/97/87/387969787.db2.gz KMFDCBMICDIZRN-LBPRGKRZSA-N 1 0 225.336 0.800 20 30 BCEDRO C[C@@H](CS(C)(=O)=O)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000424335952 387978568 /nfs/dbraw/zinc/97/85/68/387978568.db2.gz XEHGONFTZJLUFQ-LPEHRKFASA-N 1 0 230.333 0.701 20 30 BCEDRO C=CCCCN(C)C(=O)[C@@H]([NH3+])CC(=O)OC ZINC000423203263 387989182 /nfs/dbraw/zinc/98/91/82/387989182.db2.gz CCERSPCIAPYDIW-VIFPVBQESA-N 1 0 228.292 0.301 20 30 BCEDRO C=CCn1cc(CN[C@H]2CCC[C@H]2[NH3+])nn1 ZINC000424369506 387994012 /nfs/dbraw/zinc/99/40/12/387994012.db2.gz CMQLFYAGQOSVGB-MNOVXSKESA-N 1 0 221.308 0.434 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N(C)CC(C)(C)C[NH3+] ZINC000086638118 135092134 /nfs/dbraw/zinc/09/21/34/135092134.db2.gz ZQXIDHHHWDHLSM-SNVBAGLBSA-N 1 0 227.352 0.594 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H]2C[NH3+])C1 ZINC000424464830 388012344 /nfs/dbraw/zinc/01/23/44/388012344.db2.gz ITXDYYHAYRXGRW-HBNTYKKESA-N 1 0 236.319 0.811 20 30 BCEDRO C[C@@H]1CN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C[C@H]1[NH3+] ZINC000424463683 388012463 /nfs/dbraw/zinc/01/24/63/388012463.db2.gz HECQGWSJIWYEBC-LMLFDSFASA-N 1 0 236.319 0.667 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CC[NH2+]CC2)C1 ZINC000424467220 388012522 /nfs/dbraw/zinc/01/25/22/388012522.db2.gz MFHNQYBJCWRBCQ-VHSXEESVSA-N 1 0 222.292 0.293 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424479462 388035032 /nfs/dbraw/zinc/03/50/32/388035032.db2.gz OEMOQDXYZMSSGC-XHNCKOQMSA-N 1 0 210.281 0.325 20 30 BCEDRO CC(C)[C@@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000446737840 388036056 /nfs/dbraw/zinc/03/60/56/388036056.db2.gz BWUGLEAHJHIBAV-SNVBAGLBSA-N 1 0 209.293 0.604 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H]1CN(C)C[C@H]1C ZINC000453353350 388057243 /nfs/dbraw/zinc/05/72/43/388057243.db2.gz LIMFPFSWGSMGEH-UTUOFQBUSA-N 1 0 212.337 0.853 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000453353349 388057329 /nfs/dbraw/zinc/05/73/29/388057329.db2.gz LIMFPFSWGSMGEH-TUAOUCFPSA-N 1 0 212.337 0.853 20 30 BCEDRO N#CCC1(C[NH2+][C@@H]2CCCS(=O)(=O)C2)CC1 ZINC000083854399 388062975 /nfs/dbraw/zinc/06/29/75/388062975.db2.gz NPQLMNWOCGJFBM-SNVBAGLBSA-N 1 0 242.344 0.847 20 30 BCEDRO C=CC[N@H+]1C[C@H](CO)C[C@H](OCCOC)C1 ZINC000447379704 388067721 /nfs/dbraw/zinc/06/77/21/388067721.db2.gz CHNWSBNSAVNSPZ-NEPJUHHUSA-N 1 0 229.320 0.518 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@H](C)[C@H]1C[NH3+] ZINC000447054154 388049868 /nfs/dbraw/zinc/04/98/68/388049868.db2.gz KSTINBBYSIGZRK-WDEREUQCSA-N 1 0 246.376 0.952 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1ccnc(OC)n1 ZINC000449198920 388157145 /nfs/dbraw/zinc/15/71/45/388157145.db2.gz AMQAMKREORNHAE-JTQLQIEISA-N 1 0 237.303 0.759 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NC[C@H](C)[NH+](C)C ZINC000455428285 388159422 /nfs/dbraw/zinc/15/94/22/388159422.db2.gz HKRINJZEXJXONG-VHSXEESVSA-N 1 0 229.324 0.173 20 30 BCEDRO C=CCC(CC=C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000646208626 388165678 /nfs/dbraw/zinc/16/56/78/388165678.db2.gz CYPJNWQHONPLRH-GFCCVEGCSA-N 1 0 240.347 0.794 20 30 BCEDRO CC[NH+](CC)C[C@@H](C)NC(=O)[C@@H](C)C#N ZINC000041680710 388174205 /nfs/dbraw/zinc/17/42/05/388174205.db2.gz ATZURLUATIXAHM-VHSXEESVSA-N 1 0 211.309 0.993 20 30 BCEDRO C=C[C@@H](C)NC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000454687922 388129812 /nfs/dbraw/zinc/12/98/12/388129812.db2.gz WZIRLXHTJWRYBG-OUAUKWLOSA-N 1 0 223.320 0.906 20 30 BCEDRO C=C(C)COCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000162336622 388153119 /nfs/dbraw/zinc/15/31/19/388153119.db2.gz DEWZMUXLXJYNFZ-SNVBAGLBSA-N 1 0 235.349 0.602 20 30 BCEDRO C#CCN(CC)CC(=O)NCC1CCC1 ZINC000490780882 388254394 /nfs/dbraw/zinc/25/43/94/388254394.db2.gz SJMNQEGVTOJPTG-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)C[NH+](C)C ZINC000456266692 388190055 /nfs/dbraw/zinc/19/00/55/388190055.db2.gz QDGWXSZPKBCWLN-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCCCS(=O)(=O)NC[C@H]1CCC[N@H+]1C ZINC000489118750 388204111 /nfs/dbraw/zinc/20/41/11/388204111.db2.gz VGZWTLDONTXASQ-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000449591700 388239169 /nfs/dbraw/zinc/23/91/69/388239169.db2.gz QQQVWMVXFBRWTO-OPRDCNLKSA-N 1 0 214.309 0.820 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC[N@H+](C)C1CC1 ZINC000490690493 388247705 /nfs/dbraw/zinc/24/77/05/388247705.db2.gz RZCLNTUURXQVPM-UHFFFAOYSA-N 1 0 247.342 0.749 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CO[C@@H](C)CC ZINC000491267795 388281220 /nfs/dbraw/zinc/28/12/20/388281220.db2.gz VJDPTGLHFJYSIW-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CCN(C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000491267577 388281422 /nfs/dbraw/zinc/28/14/22/388281422.db2.gz UIRUVVVODPMRIJ-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000491286195 388282622 /nfs/dbraw/zinc/28/26/22/388282622.db2.gz HAGOJZHNFSSUDV-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@](C)(O)C(=O)OCC ZINC000451605183 388283253 /nfs/dbraw/zinc/28/32/53/388283253.db2.gz CNHRMEIXABFWAZ-JFGNBEQYSA-N 1 0 243.303 0.234 20 30 BCEDRO C#CCNC(=O)N1CCC([C@@H]2CC[NH2+]C2)CC1 ZINC000491340457 388286802 /nfs/dbraw/zinc/28/68/02/388286802.db2.gz XXJJNVCZXNTRRC-GFCCVEGCSA-N 1 0 235.331 0.651 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1(C(C)=O)CC1 ZINC000491348032 388287092 /nfs/dbraw/zinc/28/70/92/388287092.db2.gz BMUSWELJMOSZSW-UHFFFAOYSA-N 1 0 236.315 0.427 20 30 BCEDRO C#CC[NH+](CC#C)CC[C@H]1CCNC1=O ZINC000491361933 388288237 /nfs/dbraw/zinc/28/82/37/388288237.db2.gz OHTHYDMKTANMLZ-LLVKDONJSA-N 1 0 204.273 0.081 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CC1(C)C ZINC000491382667 388290132 /nfs/dbraw/zinc/29/01/32/388290132.db2.gz JIFCFCGLUPOHIJ-JTQLQIEISA-N 1 0 208.305 0.762 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000491382078 388290228 /nfs/dbraw/zinc/29/02/28/388290228.db2.gz HLWNVEDRULKACW-QWRGUYRKSA-N 1 0 223.320 0.649 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCCSC ZINC000491380969 388290582 /nfs/dbraw/zinc/29/05/82/388290582.db2.gz BYTKOJCMLROJTA-UHFFFAOYSA-N 1 0 228.361 0.859 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H]([NH3+])CC ZINC000491387057 388290793 /nfs/dbraw/zinc/29/07/93/388290793.db2.gz WVLOYXZKRINRFD-LLVKDONJSA-N 1 0 221.304 0.392 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000491384119 388290817 /nfs/dbraw/zinc/29/08/17/388290817.db2.gz NNHHESIJOMJQCJ-NWDGAFQWSA-N 1 0 238.331 0.435 20 30 BCEDRO C#CCNC(=O)N1CC[C@@]2(C1)CCC[NH2+]C2 ZINC000491385356 388290880 /nfs/dbraw/zinc/29/08/80/388290880.db2.gz RDDBWAKJEPTLIO-LBPRGKRZSA-N 1 0 221.304 0.405 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CO)C/C=C\C ZINC000491385951 388290948 /nfs/dbraw/zinc/29/09/48/388290948.db2.gz SZEANDICGYCBDL-MZBZXASESA-N 1 0 224.304 0.043 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([N@H+]2CC(C)=C[C@@H](C)C2)C1=O ZINC000491427320 388293730 /nfs/dbraw/zinc/29/37/30/388293730.db2.gz KHDOGVWVUMGORO-ZYHUDNBSSA-N 1 0 246.310 0.645 20 30 BCEDRO C#CCN[NH+]=Cc1cnc(N(C)C)n1C ZINC000491428995 388294325 /nfs/dbraw/zinc/29/43/25/388294325.db2.gz RSECGNTYWINFTE-UHFFFAOYSA-N 1 0 205.265 0.043 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1C[C@H]1C1CC1 ZINC000491453989 388295641 /nfs/dbraw/zinc/29/56/41/388295641.db2.gz UYROEEKCJZLRLB-RYUDHWBXSA-N 1 0 220.316 0.762 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000491464187 388295707 /nfs/dbraw/zinc/29/57/07/388295707.db2.gz QHLDCDFEVMATGH-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C#C[C@@H](CC)[NH2+][C@@H](C)COCC(=O)OC ZINC000491463420 388296344 /nfs/dbraw/zinc/29/63/44/388296344.db2.gz MWXGSVCNRVXODA-UWVGGRQHSA-N 1 0 213.277 0.566 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cc(CC)no1 ZINC000491486120 388296887 /nfs/dbraw/zinc/29/68/87/388296887.db2.gz UFTZOWQRSXVJSQ-UHFFFAOYSA-N 1 0 235.287 0.466 20 30 BCEDRO C#CCN(C(=O)N[C@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000491483308 388297784 /nfs/dbraw/zinc/29/77/84/388297784.db2.gz AXWNLXPBOZJXBA-VHSXEESVSA-N 1 0 223.320 0.919 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000491503897 388299617 /nfs/dbraw/zinc/29/96/17/388299617.db2.gz FNRUKZKQBNLKEO-LLVKDONJSA-N 1 0 244.360 0.223 20 30 BCEDRO C#CCN(C(=O)C(=C)C[NH+](C)C)C1CC1 ZINC000491507181 388299851 /nfs/dbraw/zinc/29/98/51/388299851.db2.gz UFORKXDQWPKMPK-UHFFFAOYSA-N 1 0 206.289 0.728 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)[C@H](C)C#C)CC1 ZINC000491515505 388300039 /nfs/dbraw/zinc/30/00/39/388300039.db2.gz NYEBJGMXQWYEON-GFCCVEGCSA-N 1 0 232.327 0.812 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1ccc(C)cc1 ZINC000491525631 388301453 /nfs/dbraw/zinc/30/14/53/388301453.db2.gz TYGRKXGROWDYAM-OLZOCXBDSA-N 1 0 219.284 0.612 20 30 BCEDRO C=CCOCC[N@H+]1[C@@H]2CC[C@H]1CN(C)C(=O)C2 ZINC000451873732 388302362 /nfs/dbraw/zinc/30/23/62/388302362.db2.gz WMKFGPZYAMGXFA-NEPJUHHUSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CC[N@@H+](CC#CC)C[C@H]1CCCNC1=O ZINC000491542526 388302441 /nfs/dbraw/zinc/30/24/41/388302441.db2.gz APVAMGUCRCIJDX-GFCCVEGCSA-N 1 0 218.300 0.471 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCC(=O)N1CCOCC1 ZINC000491543339 388302566 /nfs/dbraw/zinc/30/25/66/388302566.db2.gz FZIHQAAFGDQTDA-LLVKDONJSA-N 1 0 224.304 0.189 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CC[C@H](C)O1 ZINC000491554540 388303495 /nfs/dbraw/zinc/30/34/95/388303495.db2.gz KCEUEYXMBIZPKI-QWRGUYRKSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](C)Cc1cnccn1 ZINC000491555039 388303700 /nfs/dbraw/zinc/30/37/00/388303700.db2.gz OEQWIQFWVCZXHX-ZDUSSCGKSA-N 1 0 246.358 0.952 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCCCOC ZINC000491568718 388304103 /nfs/dbraw/zinc/30/41/03/388304103.db2.gz SEDICXLYYYAVQW-UHFFFAOYSA-N 1 0 226.320 0.532 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000491569033 388304155 /nfs/dbraw/zinc/30/41/55/388304155.db2.gz UFIJSEXUCXQHJT-TUAOUCFPSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CC(C)(C)N(C)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000491567174 388304235 /nfs/dbraw/zinc/30/42/35/388304235.db2.gz JUIBMCYIJMTGIV-LBPRGKRZSA-N 1 0 224.348 0.785 20 30 BCEDRO C#C[C@H](CC)NC(=O)NC[C@H](C)[NH+](C)C ZINC000491568163 388304297 /nfs/dbraw/zinc/30/42/97/388304297.db2.gz PEMAFMJVJWGTFV-VHSXEESVSA-N 1 0 211.309 0.648 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000491618533 388305052 /nfs/dbraw/zinc/30/50/52/388305052.db2.gz AIUXQQQPWIBFRV-NWDGAFQWSA-N 1 0 235.331 0.780 20 30 BCEDRO C#C[C@@H](NC(=O)N1CCC[C@@H]1C[NH3+])C(C)C ZINC000491619179 388305170 /nfs/dbraw/zinc/30/51/70/388305170.db2.gz AYTUSGLDNJRUQB-GHMZBOCLSA-N 1 0 223.320 0.777 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000491618534 388305237 /nfs/dbraw/zinc/30/52/37/388305237.db2.gz AIUXQQQPWIBFRV-RYUDHWBXSA-N 1 0 235.331 0.780 20 30 BCEDRO C#CCN(C)C(=O)NCc1ccc(C[NH3+])cc1 ZINC000491627814 388306100 /nfs/dbraw/zinc/30/61/00/388306100.db2.gz MSVYJBMZSJWRFJ-UHFFFAOYSA-N 1 0 231.299 0.920 20 30 BCEDRO C#CCN(C)C(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000491631102 388306320 /nfs/dbraw/zinc/30/63/20/388306320.db2.gz RGNOJLNDSKFSOI-GHMZBOCLSA-N 1 0 208.305 0.951 20 30 BCEDRO C#CCNC(=O)C1CC[NH+]([C@@H](C)COC)CC1 ZINC000491629283 388306335 /nfs/dbraw/zinc/30/63/35/388306335.db2.gz LVQBPAHBDYAGIX-NSHDSACASA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[NH+]1CCC(O[C@H]2CCOC2)CC1 ZINC000491631013 388306417 /nfs/dbraw/zinc/30/64/17/388306417.db2.gz PTOYAOKZZXZQRE-LBPRGKRZSA-N 1 0 209.289 0.890 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C)C(C)C ZINC000491635710 388307144 /nfs/dbraw/zinc/30/71/44/388307144.db2.gz SCVWAZWMKTVMFN-SDDRHHMPSA-N 1 0 237.347 0.941 20 30 BCEDRO C#C[C@H](CC)NC(=O)NC1CC[NH+](C)CC1 ZINC000491636350 388307242 /nfs/dbraw/zinc/30/72/42/388307242.db2.gz VUSGQTQKEFHBSQ-SNVBAGLBSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccn(CC)n1 ZINC000491652241 388308191 /nfs/dbraw/zinc/30/81/91/388308191.db2.gz AONCFUWCFRKDIC-UHFFFAOYSA-N 1 0 234.303 0.132 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@H](O)COC1CCOCC1 ZINC000491654512 388308315 /nfs/dbraw/zinc/30/83/15/388308315.db2.gz AOFWOZFSEPRMFO-NEPJUHHUSA-N 1 0 241.331 0.496 20 30 BCEDRO C#CCNC(=O)N1CCCC[C@@H]1[C@@H](C)[NH3+] ZINC000491654572 388308398 /nfs/dbraw/zinc/30/83/98/388308398.db2.gz FZPMMPBJTWTOLK-NXEZZACHSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000491656378 388308697 /nfs/dbraw/zinc/30/86/97/388308697.db2.gz IIQLWHPIQABDBO-VXGBXAGGSA-N 1 0 235.331 0.888 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@H]([NH3+])CC ZINC000491658559 388308893 /nfs/dbraw/zinc/30/88/93/388308893.db2.gz KKJYXCZMSWFWMG-NXEZZACHSA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@H]1CC2(CC2)C(=O)O1 ZINC000491663241 388309122 /nfs/dbraw/zinc/30/91/22/388309122.db2.gz PCLMKUFRPZMQAV-GHMZBOCLSA-N 1 0 235.283 0.416 20 30 BCEDRO C#CCN(C[C@H]1CN(C)C(=O)O1)C1CC1 ZINC000491663296 388309159 /nfs/dbraw/zinc/30/91/59/388309159.db2.gz RLEQODYKXJPKMG-SNVBAGLBSA-N 1 0 208.261 0.535 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCC[C@@H]1OC ZINC000491663240 388309267 /nfs/dbraw/zinc/30/92/67/388309267.db2.gz RGXPBVXTUMWIIJ-RYUDHWBXSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1(O)CCCC1 ZINC000491700728 388312534 /nfs/dbraw/zinc/31/25/34/388312534.db2.gz KSDAQCGMPSTFPV-UHFFFAOYSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](OC)C(C)C ZINC000491701825 388312638 /nfs/dbraw/zinc/31/26/38/388312638.db2.gz HXBFGWAQBHXSRZ-LLVKDONJSA-N 1 0 226.320 0.387 20 30 BCEDRO C#CCN(CC#CC)C[C@H](O)C[N@H+](C)C1CC1 ZINC000491701961 388312995 /nfs/dbraw/zinc/31/29/95/388312995.db2.gz IHDLTLRNPDZTCT-CQSZACIVSA-N 1 0 234.343 0.400 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@H]([NH3+])C(C)C ZINC000491704491 388313075 /nfs/dbraw/zinc/31/30/75/388313075.db2.gz BOHPIERXKWFUGW-ZJUUUORDSA-N 1 0 211.309 0.633 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@H](O)COCC(C)C ZINC000491705758 388313210 /nfs/dbraw/zinc/31/32/10/388313210.db2.gz ZTASNWKOGOITHO-RYUDHWBXSA-N 1 0 213.321 0.973 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](O)COCC(C)C ZINC000491705756 388313455 /nfs/dbraw/zinc/31/34/55/388313455.db2.gz ZTASNWKOGOITHO-NWDGAFQWSA-N 1 0 213.321 0.973 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000491708496 388313487 /nfs/dbraw/zinc/31/34/87/388313487.db2.gz URSOQFVIAZRRHU-UWVGGRQHSA-N 1 0 211.309 0.600 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000491707404 388313574 /nfs/dbraw/zinc/31/35/74/388313574.db2.gz FZUFPZTYYKETCV-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@H](CO)CC(C)C ZINC000491719271 388314430 /nfs/dbraw/zinc/31/44/30/388314430.db2.gz YLSNCLQLCYSZLT-LBPRGKRZSA-N 1 0 240.347 0.465 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CC[NH2+]C[C@@H]1C)C1CC1 ZINC000491718083 388314637 /nfs/dbraw/zinc/31/46/37/388314637.db2.gz ZHWPXUIPDGSBFX-JQWIXIFHSA-N 1 0 235.331 0.792 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC[C@H](C)CO ZINC000491727927 388315248 /nfs/dbraw/zinc/31/52/48/388315248.db2.gz CLXUMDRRMDKYMJ-NSHDSACASA-N 1 0 226.320 0.124 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1ccncc1C ZINC000491731187 388315574 /nfs/dbraw/zinc/31/55/74/388315574.db2.gz PLDWCKMXKLDBCK-UHFFFAOYSA-N 1 0 245.326 0.662 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H](C)C[NH+](C)C ZINC000491732798 388315835 /nfs/dbraw/zinc/31/58/35/388315835.db2.gz QVOPBXFBCIXDGR-LBPRGKRZSA-N 1 0 235.331 0.605 20 30 BCEDRO C#C[C@H](NC(=O)NCCCC[NH3+])C(C)C ZINC000491746768 388315951 /nfs/dbraw/zinc/31/59/51/388315951.db2.gz QUQQCAIJADYZSG-JTQLQIEISA-N 1 0 211.309 0.682 20 30 BCEDRO C#CCN(CC#CC)C[C@H]1CN(C)C(=O)O1 ZINC000491735055 388316071 /nfs/dbraw/zinc/31/60/71/388316071.db2.gz UAYCQCAFMROUAQ-LLVKDONJSA-N 1 0 220.272 0.396 20 30 BCEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@@H](C)C#N ZINC000516661569 256602662 /nfs/dbraw/zinc/60/26/62/256602662.db2.gz MHTXGUWUERBXOH-WDEREUQCSA-N 1 0 241.335 0.355 20 30 BCEDRO C#C[C@H](NC(=O)NCC[NH+]1CCC1)C(C)C ZINC000491736622 388316386 /nfs/dbraw/zinc/31/63/86/388316386.db2.gz UUGNTXSLYRVITC-NSHDSACASA-N 1 0 223.320 0.649 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCCOCC ZINC000491738352 388316693 /nfs/dbraw/zinc/31/66/93/388316693.db2.gz CHDOIULAAZZVLC-UHFFFAOYSA-N 1 0 226.320 0.532 20 30 BCEDRO C#CCN(CC)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000491751216 388317970 /nfs/dbraw/zinc/31/79/70/388317970.db2.gz KBFUYAIUZKWOOG-LLVKDONJSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCn1ccnc1 ZINC000491756976 388318463 /nfs/dbraw/zinc/31/84/63/388318463.db2.gz BBAVKXDRVVNKPW-UHFFFAOYSA-N 1 0 234.303 0.002 20 30 BCEDRO C#CCN(C)CC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000491769658 388319116 /nfs/dbraw/zinc/31/91/16/388319116.db2.gz NEYLFSNBHYIWFL-UHFFFAOYSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CC[C@H](CO)CC1 ZINC000491771444 388319461 /nfs/dbraw/zinc/31/94/61/388319461.db2.gz QMNGFRQSBCVSTQ-HAQNSBGRSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCOCC ZINC000491774550 388319651 /nfs/dbraw/zinc/31/96/51/388319651.db2.gz DHAYBKNKQVCNST-UHFFFAOYSA-N 1 0 212.293 0.142 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1C ZINC000491778519 388320246 /nfs/dbraw/zinc/32/02/46/388320246.db2.gz YJMMHRVKPQZGEN-CHWSQXEVSA-N 1 0 249.310 0.318 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)Cc1ccccc1 ZINC000491779656 388320346 /nfs/dbraw/zinc/32/03/46/388320346.db2.gz JZGQYRGQXGBSML-QWHCGFSZSA-N 1 0 219.284 0.174 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NCC[N@H+](C)CCOC ZINC000491788225 388321225 /nfs/dbraw/zinc/32/12/25/388321225.db2.gz XPUSQERTRYHCKZ-NSHDSACASA-N 1 0 241.335 0.276 20 30 BCEDRO C#CCN(C(=O)[C@@H](C)[NH+]1CC(C)C1)C1CC1 ZINC000491804555 388321734 /nfs/dbraw/zinc/32/17/34/388321734.db2.gz LYHDOAAONYZZIE-LLVKDONJSA-N 1 0 220.316 0.951 20 30 BCEDRO C#C[C@H](C)N(C)CC(=O)Nc1cc(C)nn1C ZINC000491806054 388321779 /nfs/dbraw/zinc/32/17/79/388321779.db2.gz QBDSRVVOKLFERG-JTQLQIEISA-N 1 0 234.303 0.621 20 30 BCEDRO C#CCN(CC)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000491806369 388321993 /nfs/dbraw/zinc/32/19/93/388321993.db2.gz QWZWYGLEWSYKGD-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000491807564 388322054 /nfs/dbraw/zinc/32/20/54/388322054.db2.gz CMCOZJNDEXBFBQ-WDEREUQCSA-N 1 0 221.304 0.355 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@@H](CC)[NH+](C)C ZINC000491808360 388322381 /nfs/dbraw/zinc/32/23/81/388322381.db2.gz UXXJCGRWCOWJPJ-LLVKDONJSA-N 1 0 206.289 0.422 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1nccnc1C ZINC000491811685 388322608 /nfs/dbraw/zinc/32/26/08/388322608.db2.gz FGCOUEBXAHGOMZ-UHFFFAOYSA-N 1 0 246.314 0.057 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC[C@H]1F ZINC000491815407 388323185 /nfs/dbraw/zinc/32/31/85/388323185.db2.gz FOLGSWWSWNVDQK-ZJUUUORDSA-N 1 0 212.268 0.606 20 30 BCEDRO C#CCNC(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000491818674 388323653 /nfs/dbraw/zinc/32/36/53/388323653.db2.gz ZHVOHTPHLHHLBW-NSHDSACASA-N 1 0 223.320 0.601 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CSC1(C)C ZINC000491820764 388323865 /nfs/dbraw/zinc/32/38/65/388323865.db2.gz SPUNVPOVGCJPLG-VIFPVBQESA-N 1 0 226.345 0.610 20 30 BCEDRO C#CCNC(=O)[C@@H](C[NH3+])c1ccc(F)cc1 ZINC000491819350 388323939 /nfs/dbraw/zinc/32/39/39/388323939.db2.gz NJWMRMFHGLYRHI-NSHDSACASA-N 1 0 220.247 0.617 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)N1CCC(C#N)CC1 ZINC000491864492 388325194 /nfs/dbraw/zinc/32/51/94/388325194.db2.gz FWZBFQRLKDKWNH-ARJAWSKDSA-N 1 0 221.304 0.866 20 30 BCEDRO C#CCSCCNC(=O)/C=C\C[NH+](C)C ZINC000491873830 388325937 /nfs/dbraw/zinc/32/59/37/388325937.db2.gz UUZRNFZGFQRQPU-WAYWQWQTSA-N 1 0 226.345 0.587 20 30 BCEDRO CC#CC[N@H+]1CC[C@](COC)(C(=O)OC)C1 ZINC000451334437 388263391 /nfs/dbraw/zinc/26/33/91/388263391.db2.gz LKPMGVMNEICYQI-LBPRGKRZSA-N 1 0 225.288 0.521 20 30 BCEDRO C#CCN(CC#N)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000491013498 388264600 /nfs/dbraw/zinc/26/46/00/388264600.db2.gz JSZPCJJPSZSEEC-TXEJJXNPSA-N 1 0 233.315 0.845 20 30 BCEDRO C#CCN1CCN(C(=O)C[NH+]2[C@H](C)C[C@H]2C)CC1 ZINC000491039368 388266466 /nfs/dbraw/zinc/26/64/66/388266466.db2.gz OERIEDLEMNTSBV-CHWSQXEVSA-N 1 0 249.358 0.247 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)C1=CCOCC1 ZINC000491103016 388269369 /nfs/dbraw/zinc/26/93/69/388269369.db2.gz NUTXKJVONZUBCG-CYBMUJFWSA-N 1 0 249.310 0.974 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1[C@@H](CO)CCC[C@@H]1C ZINC000491122956 388270837 /nfs/dbraw/zinc/27/08/37/388270837.db2.gz YVIHUERLVIBVPS-NWDGAFQWSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCNC(=O)CC[NH+]1C[C@@H]2CCC[C@H]2C1 ZINC000491119920 388270870 /nfs/dbraw/zinc/27/08/70/388270870.db2.gz KTYZKHWIYLDRLV-RYUDHWBXSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000491121440 388270885 /nfs/dbraw/zinc/27/08/85/388270885.db2.gz QYBPQRGGHSGENE-NEPJUHHUSA-N 1 0 237.347 0.150 20 30 BCEDRO C#C[C@@H](C)N(C)C[C@@H]1CCCS(=O)(=O)C1 ZINC000491122758 388270904 /nfs/dbraw/zinc/27/09/04/388270904.db2.gz XNXQMFRCNLHLDC-MNOVXSKESA-N 1 0 229.345 0.765 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](CC)O[C@@H](C)C1 ZINC000491120788 388271021 /nfs/dbraw/zinc/27/10/21/388271021.db2.gz NTVHCEJJMRSCAR-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC(C)(C)N(C)CC(=O)NC(=O)NCC=C ZINC000491164687 388273562 /nfs/dbraw/zinc/27/35/62/388273562.db2.gz DPCWCTRKBOXNOK-UHFFFAOYSA-N 1 0 237.303 0.342 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000491166900 388274364 /nfs/dbraw/zinc/27/43/64/388274364.db2.gz VCKMCJIKZMEIFC-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCN(C)C(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000491193011 388276182 /nfs/dbraw/zinc/27/61/82/388276182.db2.gz UWZLWBHLYCFFFO-GFCCVEGCSA-N 1 0 237.347 0.993 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)C[C@H]1CN(C)C(=O)O1 ZINC000491201754 388276841 /nfs/dbraw/zinc/27/68/41/388276841.db2.gz JCSLOSACRHMKFK-SECBINFHSA-N 1 0 210.277 0.781 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CC1CCC1 ZINC000491203195 388277317 /nfs/dbraw/zinc/27/73/17/388277317.db2.gz UAUZLXBNAIDGKY-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO CO[C@@]1(C)C[C@H]([NH2+]CC(=O)NCC#N)C1(C)C ZINC000451497270 388277803 /nfs/dbraw/zinc/27/78/03/388277803.db2.gz VQCHWWCLMBLUDU-CABZTGNLSA-N 1 0 239.319 0.419 20 30 BCEDRO CO[C@]1(C)C[C@H]([NH2+]CC(=O)NCC#N)C1(C)C ZINC000451497273 388278030 /nfs/dbraw/zinc/27/80/30/388278030.db2.gz VQCHWWCLMBLUDU-JOYOIKCWSA-N 1 0 239.319 0.419 20 30 BCEDRO CO[C@@H]1[C@@H](C)[C@@H]([NH2+]CC(=O)NCC#N)C1(C)C ZINC000451504417 388278053 /nfs/dbraw/zinc/27/80/53/388278053.db2.gz SDRHTBWJLIXOBL-JMJZKYOTSA-N 1 0 239.319 0.275 20 30 BCEDRO C#CCNN=C1CC[NH+](CCC(=O)OC)CC1 ZINC000491253302 388280433 /nfs/dbraw/zinc/28/04/33/388280433.db2.gz MTUAVJHLPZEZKQ-UHFFFAOYSA-N 1 0 237.303 0.224 20 30 BCEDRO C[C@H](C[NH3+])C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594453366 388355681 /nfs/dbraw/zinc/35/56/81/388355681.db2.gz UKUDVIKYGRCDLV-SECBINFHSA-N 1 0 229.283 0.995 20 30 BCEDRO N#Cc1ccc2c(c1)CN(C(=O)[C@H]1CC[NH2+]1)C2 ZINC000594453373 388356499 /nfs/dbraw/zinc/35/64/99/388356499.db2.gz USTHVUONXCIXNM-GFCCVEGCSA-N 1 0 227.267 0.762 20 30 BCEDRO C=CCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000234604433 388357289 /nfs/dbraw/zinc/35/72/89/388357289.db2.gz IXTODFDMARZGJJ-UHFFFAOYSA-N 1 0 212.293 0.305 20 30 BCEDRO COCCC[N@H+](C)CCNc1ccncc1C#N ZINC000548482363 388361790 /nfs/dbraw/zinc/36/17/90/388361790.db2.gz LBXJMNGWRLQJRG-UHFFFAOYSA-N 1 0 248.330 0.755 20 30 BCEDRO CC#CCCNC(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000572733699 388371787 /nfs/dbraw/zinc/37/17/87/388371787.db2.gz JQPUIJFJFKLSNZ-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCOCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000519427500 256649061 /nfs/dbraw/zinc/64/90/61/256649061.db2.gz KDEDBCPXFFWIQC-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(C#N)nc3)C[C@@H]21 ZINC000153151615 388377995 /nfs/dbraw/zinc/37/79/95/388377995.db2.gz JRSMKXYDZZNNAJ-STQMWFEESA-N 1 0 244.298 0.472 20 30 BCEDRO C=C[C@H](O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000646574834 388387014 /nfs/dbraw/zinc/38/70/14/388387014.db2.gz WUFXTXDDWXKJAB-VIFPVBQESA-N 1 0 214.309 0.237 20 30 BCEDRO C=C[C@H](O)C(=O)NCCC[NH+]1CCC(C)CC1 ZINC000646592365 388391852 /nfs/dbraw/zinc/39/18/52/388391852.db2.gz RDRSGFCDYBGYMD-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CC[NH+](C(C)C)CC1 ZINC000646600540 388393425 /nfs/dbraw/zinc/39/34/25/388393425.db2.gz DRSHUQVNESFREG-NSHDSACASA-N 1 0 226.320 0.522 20 30 BCEDRO CNC(NC[C@H](O)c1ccccc1)=[NH+]C ZINC000238321386 388400975 /nfs/dbraw/zinc/40/09/75/388400975.db2.gz QEBWHUJPJIVYLA-JTQLQIEISA-N 1 0 207.277 0.515 20 30 BCEDRO C=C(C)COCCNC(=O)/C=C\C[NH+](C)C ZINC000492128013 388335806 /nfs/dbraw/zinc/33/58/06/388335806.db2.gz DPCZBUGTHVPSSS-WAYWQWQTSA-N 1 0 226.320 0.813 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000648849449 388469028 /nfs/dbraw/zinc/46/90/28/388469028.db2.gz PTWSRIPQFKETSZ-JTQLQIEISA-N 1 0 226.320 0.836 20 30 BCEDRO COC(=O)C1CC[NH+](CCOCCC#N)CC1 ZINC000338911444 388476405 /nfs/dbraw/zinc/47/64/05/388476405.db2.gz UEGHKSWSTKYCTC-UHFFFAOYSA-N 1 0 240.303 0.802 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@H+]1CCC[C@@H](C)C1 ZINC000646678979 388413992 /nfs/dbraw/zinc/41/39/92/388413992.db2.gz MVSMOTQWNQHPSO-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000646697774 388419126 /nfs/dbraw/zinc/41/91/26/388419126.db2.gz FRRAQILRMTXNOC-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)[C@H](C)C[NH3+] ZINC000424460265 256713636 /nfs/dbraw/zinc/71/36/36/256713636.db2.gz AXAUZSALLQYLHQ-VWYCJHECSA-N 1 0 241.335 0.566 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H](C[NH2+]C)C1 ZINC000646709200 388421383 /nfs/dbraw/zinc/42/13/83/388421383.db2.gz YPWCNQXUVATJJN-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCOCC[NH2+][C@@H](COC)[C@@H]1CCCO1 ZINC000339136975 388479687 /nfs/dbraw/zinc/47/96/87/388479687.db2.gz NVKGNIIVWNDKKN-RYUDHWBXSA-N 1 0 229.320 0.973 20 30 BCEDRO N#Cc1cccc(C[N@H+]2C[C@H](O)C[C@H]2CO)c1 ZINC000245648101 388426783 /nfs/dbraw/zinc/42/67/83/388426783.db2.gz BTIJTDIBSMYGPQ-QWHCGFSZSA-N 1 0 232.283 0.486 20 30 BCEDRO C[C@@H](C[S@](C)=O)[N@H+](C)CCOCCC#N ZINC000339083423 388479733 /nfs/dbraw/zinc/47/97/33/388479733.db2.gz JEOQIVCQAXGAPA-BONVTDFDSA-N 1 0 232.349 0.615 20 30 BCEDRO C=CCOCC[NH2+][C@@]1(CCOC)CCOC1 ZINC000339129838 388480221 /nfs/dbraw/zinc/48/02/21/388480221.db2.gz FDLJKQUGYAOIED-LBPRGKRZSA-N 1 0 229.320 0.974 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000646761638 388485047 /nfs/dbraw/zinc/48/50/47/388485047.db2.gz TYXBJUMYDRNXAF-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H](C)C[NH+](C)C)nn1 ZINC000648903913 388488204 /nfs/dbraw/zinc/48/82/04/388488204.db2.gz HYXPBMUMIJCAOP-VIFPVBQESA-N 1 0 237.307 0.144 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000646775627 388496994 /nfs/dbraw/zinc/49/69/94/388496994.db2.gz KUXWUHHNHJVYPN-NWDGAFQWSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[N@@H+](CC)C2)nn1 ZINC000648931169 388504554 /nfs/dbraw/zinc/50/45/54/388504554.db2.gz QLJGHFIKIVZAGV-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000646795956 388507384 /nfs/dbraw/zinc/50/73/84/388507384.db2.gz CXZAVAVTDITEIM-UWVGGRQHSA-N 1 0 212.293 0.086 20 30 BCEDRO CC[N@H+](CC(=O)N[C@@]1(C#N)CCOC1)C1CC1 ZINC000548140188 388517214 /nfs/dbraw/zinc/51/72/14/388517214.db2.gz RBGFIECKTNORST-GFCCVEGCSA-N 1 0 237.303 0.270 20 30 BCEDRO C[C@@H]1CN(C)CC[N@@H+]1C[C@@H](O)CC1(C#N)CC1 ZINC000528381228 388517984 /nfs/dbraw/zinc/51/79/84/388517984.db2.gz PNGFSCUJZSHMGG-NEPJUHHUSA-N 1 0 237.347 0.677 20 30 BCEDRO CC[C@@]1(O)CC[N@H+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000528464240 388529681 /nfs/dbraw/zinc/52/96/81/388529681.db2.gz LCRGYSOTUXOOJI-WCQYABFASA-N 1 0 238.331 0.888 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1ccc(C#N)nn1 ZINC000301962733 388617191 /nfs/dbraw/zinc/61/71/91/388617191.db2.gz NCRAUYWYCDQBSX-NSHDSACASA-N 1 0 235.291 0.073 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+](C)CCn1cccn1 ZINC000649308317 388594845 /nfs/dbraw/zinc/59/48/45/388594845.db2.gz WKMXRJMOPJPRSK-LLVKDONJSA-N 1 0 209.293 0.752 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530026444 388605951 /nfs/dbraw/zinc/60/59/51/388605951.db2.gz IPABDHBMYLDWDZ-NEPJUHHUSA-N 1 0 238.331 0.666 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H]1CCO[C@H]1C ZINC000328175973 388581292 /nfs/dbraw/zinc/58/12/92/388581292.db2.gz LVTFYERYENLIJG-RYUDHWBXSA-N 1 0 210.321 0.709 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H]1CCO[C@@H]1C ZINC000328175971 388581340 /nfs/dbraw/zinc/58/13/40/388581340.db2.gz LVTFYERYENLIJG-NEPJUHHUSA-N 1 0 210.321 0.709 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CC[C@@](F)(C#N)C1 ZINC000615824709 388585626 /nfs/dbraw/zinc/58/56/26/388585626.db2.gz CFVAKLLBEUMVJU-LLVKDONJSA-N 1 0 227.283 0.792 20 30 BCEDRO C=CCN(CCOC)C(=O)C[NH+](CC)CC ZINC000191962215 388672117 /nfs/dbraw/zinc/67/21/17/388672117.db2.gz BTKSKFDTBYVQDQ-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000521986478 388672688 /nfs/dbraw/zinc/67/26/88/388672688.db2.gz HWDVTZWFIQWWOV-MXWKQRLJSA-N 1 0 239.319 0.366 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000192224628 388676320 /nfs/dbraw/zinc/67/63/20/388676320.db2.gz RPHAOLIXLARALA-RYUDHWBXSA-N 1 0 227.304 0.108 20 30 BCEDRO C#CCN(C)CC(=O)Nc1ccncc1 ZINC000192221229 388676515 /nfs/dbraw/zinc/67/65/15/388676515.db2.gz YGPLSLVQKFQUKY-UHFFFAOYSA-N 1 0 203.245 0.585 20 30 BCEDRO C#CCN(C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000192218865 388676931 /nfs/dbraw/zinc/67/69/31/388676931.db2.gz GZNOXCNNUSWWPT-GFCCVEGCSA-N 1 0 219.288 0.360 20 30 BCEDRO C#CCN(C)CC(=O)NC(=O)NCC(C)C ZINC000192218610 388677117 /nfs/dbraw/zinc/67/71/17/388677117.db2.gz GNRUMENWCRHCCQ-UHFFFAOYSA-N 1 0 225.292 0.033 20 30 BCEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)NCC(=O)OC ZINC000125950368 388683417 /nfs/dbraw/zinc/68/34/17/388683417.db2.gz QXWFYDNCXVRJBQ-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@@H]2CC[C@@H]2C2CC2)n1 ZINC000554377138 388622992 /nfs/dbraw/zinc/62/29/92/388622992.db2.gz JDLFCMXXHXROAN-GHMZBOCLSA-N 1 0 231.303 0.928 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC(C[NH+](C)C)CC1 ZINC000646858392 388626051 /nfs/dbraw/zinc/62/60/51/388626051.db2.gz VYKIRVPYIJCSMJ-NSHDSACASA-N 1 0 226.320 0.334 20 30 BCEDRO Cn1ccnc1CNC(=O)c1ccc(C#N)nc1 ZINC000359946285 388632473 /nfs/dbraw/zinc/63/24/73/388632473.db2.gz JFKBFJIHYBNKQN-UHFFFAOYSA-N 1 0 241.254 0.617 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](COCC)C(C)C ZINC000189798631 388644197 /nfs/dbraw/zinc/64/41/97/388644197.db2.gz IKPHLINZGZZAJG-RYUDHWBXSA-N 1 0 240.347 0.775 20 30 BCEDRO C#CCN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189942473 388645687 /nfs/dbraw/zinc/64/56/87/388645687.db2.gz KHERACUPFAKOOT-LLVKDONJSA-N 1 0 210.321 0.397 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCS(=O)(=O)C2)C1 ZINC000328618226 388645689 /nfs/dbraw/zinc/64/56/89/388645689.db2.gz UXLSKPNDKHPBIR-OUAUKWLOSA-N 1 0 242.344 0.845 20 30 BCEDRO C=C[C@@H](O)C(=O)N1C[C@@H](CC)[NH2+][C@@H](C)C1 ZINC000620898051 388652572 /nfs/dbraw/zinc/65/25/72/388652572.db2.gz LSAHGHDPOIPSFW-IVZWLZJFSA-N 1 0 212.293 0.132 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@]2(CCO)CCOC2)o1 ZINC000447067541 388734983 /nfs/dbraw/zinc/73/49/83/388734983.db2.gz INUFARBPMQDWRU-GFCCVEGCSA-N 1 0 236.271 0.782 20 30 BCEDRO C[C@@H](Cn1cncn1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276977846 388743829 /nfs/dbraw/zinc/74/38/29/388743829.db2.gz RRBLTBKIKMOPCP-JTQLQIEISA-N 1 0 244.302 0.667 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000276977854 388743988 /nfs/dbraw/zinc/74/39/88/388743988.db2.gz RRBLTBKIKMOPCP-SNVBAGLBSA-N 1 0 244.302 0.667 20 30 BCEDRO C=CCCC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000089990746 388744385 /nfs/dbraw/zinc/74/43/85/388744385.db2.gz UAKFIBUQWQDLSE-UHFFFAOYSA-N 1 0 246.376 0.953 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1c1cnc(C#N)cn1 ZINC000555241830 388744823 /nfs/dbraw/zinc/74/48/23/388744823.db2.gz VCWGQNZYTRIACA-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO CN1CCO[C@H]2CN(Cc3ccc(C#N)o3)C[C@@H]21 ZINC000093641843 388745245 /nfs/dbraw/zinc/74/52/45/388745245.db2.gz WEODVXIUYFXQOM-STQMWFEESA-N 1 0 247.298 0.666 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@H](C)[NH+](C)C)nn1 ZINC000648730650 388752218 /nfs/dbraw/zinc/75/22/18/388752218.db2.gz LUUAFUYSHVOXFT-VIFPVBQESA-N 1 0 237.307 0.144 20 30 BCEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000128406319 388754580 /nfs/dbraw/zinc/75/45/80/388754580.db2.gz GTCJQIOPVJEIDZ-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1ccc(C#N)nc1 ZINC000115384368 388695326 /nfs/dbraw/zinc/69/53/26/388695326.db2.gz SVQWLHAPPBAOLB-UHFFFAOYSA-N 1 0 232.287 0.635 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)COC[C@H]1CCCO1 ZINC000248888878 388697421 /nfs/dbraw/zinc/69/74/21/388697421.db2.gz RPHAOLIXLARALA-NWDGAFQWSA-N 1 0 227.304 0.108 20 30 BCEDRO C[C@@H](O)C[N@H+](CCCSCC#N)[C@H](C)CO ZINC000248909958 388698813 /nfs/dbraw/zinc/69/88/13/388698813.db2.gz IRNRZQBXJMSBNN-GHMZBOCLSA-N 1 0 246.376 0.697 20 30 BCEDRO N#Cc1ccc2ncc(C[NH2+][C@@H]3CC[C@H]3O)n2c1 ZINC000425350666 388703155 /nfs/dbraw/zinc/70/31/55/388703155.db2.gz FSWWXURACQRSJN-VXGBXAGGSA-N 1 0 242.282 0.819 20 30 BCEDRO N#Cc1cccc(C[NH+]2C[C@@H](CO)[C@H](CO)C2)c1 ZINC000528600123 388707893 /nfs/dbraw/zinc/70/78/93/388707893.db2.gz XUBIWSLAOAJRES-KBPBESRZSA-N 1 0 246.310 0.591 20 30 BCEDRO CC(C)C[N@H+](CC(=O)NCC#N)C(C)C ZINC000066492850 388719239 /nfs/dbraw/zinc/71/92/39/388719239.db2.gz JSHMNFBVUPOKML-UHFFFAOYSA-N 1 0 211.309 0.993 20 30 BCEDRO N#Cc1cccc(CC(=O)NCC[NH+]2CCC2)c1 ZINC000533108027 388723576 /nfs/dbraw/zinc/72/35/76/388723576.db2.gz VAFJAELZUWMGSA-UHFFFAOYSA-N 1 0 243.310 0.923 20 30 BCEDRO C[C@@H]1C[C@H](C)CC[N@H+](CC(=O)NCC#N)C1 ZINC000127618079 388728424 /nfs/dbraw/zinc/72/84/24/388728424.db2.gz PQDZBWSVHWDTKI-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@H]1C(=O)NCC[C@H]1C ZINC000249639783 388730845 /nfs/dbraw/zinc/73/08/45/388730845.db2.gz XQPNHYMPBHHJFC-VWYCJHECSA-N 1 0 226.320 0.428 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000249639781 388731192 /nfs/dbraw/zinc/73/11/92/388731192.db2.gz XQPNHYMPBHHJFC-GARJFASQSA-N 1 0 226.320 0.428 20 30 BCEDRO C[C@@H](Cn1cnc(C#N)c1C#N)[NH+](C)C ZINC000331079617 388763913 /nfs/dbraw/zinc/76/39/13/388763913.db2.gz KXKUSADQMNCVCX-QMMMGPOBSA-N 1 0 203.249 0.577 20 30 BCEDRO C[C@@]1(C(N)=O)CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000280381750 388781333 /nfs/dbraw/zinc/78/13/33/388781333.db2.gz WEGUICFGOVRCRS-GFCCVEGCSA-N 1 0 233.271 0.849 20 30 BCEDRO Cc1cc(NC[C@H]2C[NH2+]CCCO2)c(C#N)cn1 ZINC000333333668 388813376 /nfs/dbraw/zinc/81/33/76/388813376.db2.gz WSNWIPLRHWUASX-GFCCVEGCSA-N 1 0 246.314 0.474 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000554592642 388824378 /nfs/dbraw/zinc/82/43/78/388824378.db2.gz MJGOKXYPMHGICM-IUCAKERBSA-N 1 0 212.297 0.395 20 30 BCEDRO CC1CCN(C(=[NH2+])NCc2cc[nH]n2)CC1 ZINC000303263530 388854571 /nfs/dbraw/zinc/85/45/71/388854571.db2.gz QYDUGHYFWLNZKQ-UHFFFAOYSA-N 1 0 221.308 0.956 20 30 BCEDRO CC(C)COC[C@@H](O)C[NH2+]C[C@H](C)C#N ZINC000564857765 388895985 /nfs/dbraw/zinc/89/59/85/388895985.db2.gz YBFJEQBAHOEIEX-MNOVXSKESA-N 1 0 214.309 0.769 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000649186577 388897354 /nfs/dbraw/zinc/89/73/54/388897354.db2.gz AHIQXQFZMWDUSX-NWDGAFQWSA-N 1 0 240.347 0.463 20 30 BCEDRO C=CC[C@H](C)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000564921632 388897759 /nfs/dbraw/zinc/89/77/59/388897759.db2.gz ZFQRGEPUFLQOLS-VIFPVBQESA-N 1 0 237.307 0.321 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)C[N@H+](C)C(C)C ZINC000649187961 388898393 /nfs/dbraw/zinc/89/83/93/388898393.db2.gz AGFXAINXHWWOKJ-LLVKDONJSA-N 1 0 226.320 0.217 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000565049964 388911555 /nfs/dbraw/zinc/91/15/55/388911555.db2.gz VAFNTIGZZOXYOU-MNOVXSKESA-N 1 0 212.293 0.498 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000368497411 533227880 /nfs/dbraw/zinc/22/78/80/533227880.db2.gz YGWKEKQPBUEZRU-SNVBAGLBSA-N 1 0 221.304 0.498 20 30 BCEDRO COC[C@@H](C)OC[C@H](O)C[NH2+]CCCC#N ZINC000565829309 388971109 /nfs/dbraw/zinc/97/11/09/388971109.db2.gz HFOJMSFUOIYNEY-GHMZBOCLSA-N 1 0 230.308 0.292 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]Cc1ccncc1 ZINC000272782986 389035291 /nfs/dbraw/zinc/03/52/91/389035291.db2.gz AVNRPTKNTOLRGW-UHFFFAOYSA-N 1 0 240.328 0.772 20 30 BCEDRO C[C@H]1CN(c2nccnc2C#N)C[C@H](C)[NH2+]1 ZINC000054376841 132364437 /nfs/dbraw/zinc/36/44/37/132364437.db2.gz JWPRDKYPHKDCSP-IUCAKERBSA-N 1 0 217.276 0.535 20 30 BCEDRO C#C[C@@H](CC)NC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262496220 533235815 /nfs/dbraw/zinc/23/58/15/533235815.db2.gz WMICHIMIBTYYLH-ZJUUUORDSA-N 1 0 209.293 0.434 20 30 BCEDRO C#C[C@H](C)NC(=O)NC1CC[NH+](C)CC1 ZINC000186059334 533292158 /nfs/dbraw/zinc/29/21/58/533292158.db2.gz BQWZJLLFIUJKTQ-VIFPVBQESA-N 1 0 209.293 0.402 20 30 BCEDRO C[NH+]=C(NCCN1CCC1)NC1CCCC1 ZINC000261611748 533477878 /nfs/dbraw/zinc/47/78/78/533477878.db2.gz ATRDCBFYIKAWLG-UHFFFAOYSA-N 1 0 224.352 0.800 20 30 BCEDRO C[NH+]=C(NCCS(C)(=O)=O)NC1CCCC1 ZINC000263271595 533477937 /nfs/dbraw/zinc/47/79/37/533477937.db2.gz XASNKEMPQQFRTL-UHFFFAOYSA-N 1 0 247.364 0.139 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](COC)OC ZINC000272653883 533511012 /nfs/dbraw/zinc/51/10/12/533511012.db2.gz QSIGDALOTKRWEL-SECBINFHSA-N 1 0 215.297 0.128 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCOC[C@H]1OC ZINC000263064966 533511324 /nfs/dbraw/zinc/51/13/24/533511324.db2.gz GAXBEISAZCUKFR-WDEREUQCSA-N 1 0 241.335 0.518 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@@H](C)CC(N)=O ZINC000280691407 533541875 /nfs/dbraw/zinc/54/18/75/533541875.db2.gz BFJFJLCRAABLHQ-UMNHJUIQSA-N 1 0 226.320 0.821 20 30 BCEDRO N#Cc1ccc(N2CC[NH+](CCO)CC2)cc1 ZINC000035151494 132337847 /nfs/dbraw/zinc/33/78/47/132337847.db2.gz HPWKIWNIMBMXFU-UHFFFAOYSA-N 1 0 231.299 0.673 20 30 BCEDRO N#Cc1ccc(N2CC[NH+](CCCO)CC2)nc1 ZINC000052442369 132362112 /nfs/dbraw/zinc/36/21/12/132362112.db2.gz SCCPPGONJSFHQX-UHFFFAOYSA-N 1 0 246.314 0.458 20 30 BCEDRO CNC(NCCc1cccc(C(=O)OC)c1)=[NH+]C ZINC000271063747 133539848 /nfs/dbraw/zinc/53/98/48/133539848.db2.gz YZOXQGZKUGMHLH-UHFFFAOYSA-N 1 0 249.314 0.811 20 30 BCEDRO CN(C(=[NH2+])NC[C@@](C)(O)c1ccco1)C1CC1 ZINC000273372055 133545418 /nfs/dbraw/zinc/54/54/18/133545418.db2.gz VSLDFECHRNGQAI-GFCCVEGCSA-N 1 0 237.303 0.896 20 30 BCEDRO C=CCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000071215327 133644000 /nfs/dbraw/zinc/64/40/00/133644000.db2.gz TZUMYMKAIYORHU-UHFFFAOYSA-N 1 0 235.291 0.118 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000331770390 134002160 /nfs/dbraw/zinc/00/21/60/134002160.db2.gz MWYWQWPLJKSIDW-WCABBAIRSA-N 1 0 221.304 0.745 20 30 BCEDRO C[C@@H](CNS(=O)(=O)CCC#N)[N@H+](C)C1CC1 ZINC000331797731 134002464 /nfs/dbraw/zinc/00/24/64/134002464.db2.gz WMXVRNIZEGKWLJ-VIFPVBQESA-N 1 0 245.348 0.302 20 30 BCEDRO CC(C)[C@H](C(=O)N1CC(O)(CC#N)C1)[NH+](C)C ZINC000331990105 134003123 /nfs/dbraw/zinc/00/31/23/134003123.db2.gz DSYXMFUYYRCYEV-SNVBAGLBSA-N 1 0 239.319 0.060 20 30 BCEDRO C[N@@H+]1CCC[C@H]2CN(C(=O)CC#N)CC[C@@H]21 ZINC000167545073 134004829 /nfs/dbraw/zinc/00/48/29/134004829.db2.gz AIPOBPUMMZHAGT-QWRGUYRKSA-N 1 0 221.304 0.843 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000332658845 134006069 /nfs/dbraw/zinc/00/60/69/134006069.db2.gz BUISSUKEAORJHX-OUAUKWLOSA-N 1 0 237.303 0.078 20 30 BCEDRO C[C@@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CC#N ZINC000335952724 134022077 /nfs/dbraw/zinc/02/20/77/134022077.db2.gz HABHGEUROZSADH-MNOVXSKESA-N 1 0 221.304 0.985 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N(CCC#N)CCC#N)C1 ZINC000330416907 134061141 /nfs/dbraw/zinc/06/11/41/134061141.db2.gz ODSBPIFLEVNTRK-LBPRGKRZSA-N 1 0 248.330 0.984 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336155775 134105678 /nfs/dbraw/zinc/10/56/78/134105678.db2.gz NCGXFRINQZOFSS-MNOVXSKESA-N 1 0 246.376 0.965 20 30 BCEDRO CC[N@H+](C[C@H](C)O)[C@@H](C)C(=O)N(C)CCC#N ZINC000352222818 134109704 /nfs/dbraw/zinc/10/97/04/134109704.db2.gz SIGDURFGYNNDLO-QWRGUYRKSA-N 1 0 241.335 0.450 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000336198882 134128281 /nfs/dbraw/zinc/12/82/81/134128281.db2.gz DVXBPWPPHDYBNJ-UHFFFAOYSA-N 1 0 246.314 0.721 20 30 BCEDRO CC[N@@H+]1C[C@H](C)N(C(=O)CC#N)C[C@H]1C ZINC000336347888 134144298 /nfs/dbraw/zinc/14/42/98/134144298.db2.gz PEOYDDLFVTYAPN-ZJUUUORDSA-N 1 0 209.293 0.841 20 30 BCEDRO C=CCN1CC[C@@H]([NH+]2CCC(C)(O)CC2)C1=O ZINC000336613755 134151392 /nfs/dbraw/zinc/15/13/92/134151392.db2.gz LFKSTXPPMLSAPH-LLVKDONJSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCCNc1cc[nH+]cc1 ZINC000353037957 134159166 /nfs/dbraw/zinc/15/91/66/134159166.db2.gz BOOJCTVJVMPROI-ZDUSSCGKSA-N 1 0 249.314 0.359 20 30 BCEDRO CC(C)NC(=[NH2+])NCC(=O)N1CCCCC1 ZINC000104169002 134159292 /nfs/dbraw/zinc/15/92/92/134159292.db2.gz MZUYGHOQPDCSSN-UHFFFAOYSA-N 1 0 226.324 0.312 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000305085263 134159979 /nfs/dbraw/zinc/15/99/79/134159979.db2.gz NTMDFJYMNVROMI-UWVGGRQHSA-N 1 0 212.293 0.263 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000305078914 134160094 /nfs/dbraw/zinc/16/00/94/134160094.db2.gz LXCUQBLXNYDLCO-RYUDHWBXSA-N 1 0 240.347 0.770 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@@H]2CC[C@@H](C#N)C2)n1 ZINC000353952589 134165684 /nfs/dbraw/zinc/16/56/84/134165684.db2.gz DUIATZCGOCGGBP-NXEZZACHSA-N 1 0 230.275 0.432 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@H](C[NH+](C)C)C1 ZINC000114200118 134175178 /nfs/dbraw/zinc/17/51/78/134175178.db2.gz VNLIFQQOXLTMPQ-VXGBXAGGSA-N 1 0 239.363 0.561 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000355792394 134175272 /nfs/dbraw/zinc/17/52/72/134175272.db2.gz JZOOPVATNBCGIX-ZDUSSCGKSA-N 1 0 240.347 0.866 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)NCC1(CC#N)CC1 ZINC000355850346 134175302 /nfs/dbraw/zinc/17/53/02/134175302.db2.gz UNHPZGFNBKRUKO-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO C=CCOCC(=O)N1CCC[N@@H+](C)CC1 ZINC000356492591 134178218 /nfs/dbraw/zinc/17/82/18/134178218.db2.gz UQIYVYOUDMSWCL-UHFFFAOYSA-N 1 0 212.293 0.353 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000356544576 134178563 /nfs/dbraw/zinc/17/85/63/134178563.db2.gz ILAXEQPKJNWKIV-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCOCC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000357257110 134182578 /nfs/dbraw/zinc/18/25/78/134182578.db2.gz LTTQAJZHPRRFNZ-LBPRGKRZSA-N 1 0 242.319 0.074 20 30 BCEDRO C=CC[N@@H+](CCCC(=O)NC(N)=O)C1CC1 ZINC000357555674 134183908 /nfs/dbraw/zinc/18/39/08/134183908.db2.gz UDHOAZFHIMSQEX-UHFFFAOYSA-N 1 0 225.292 0.612 20 30 BCEDRO CN1CC[C@@](O)(C[NH2+]CC(C)(C)CCC#N)C1 ZINC000358166878 134186927 /nfs/dbraw/zinc/18/69/27/134186927.db2.gz PKUYTSKQRPTYCO-CYBMUJFWSA-N 1 0 239.363 0.973 20 30 BCEDRO CO/N=C/C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000367315991 134190940 /nfs/dbraw/zinc/19/09/40/134190940.db2.gz BVLCSBSAVBRRNP-FXMSVLPXSA-N 1 0 225.292 0.362 20 30 BCEDRO CNC(NCCc1cn2c(n1)CCCC2)=[NH+]C ZINC000360448926 134200649 /nfs/dbraw/zinc/20/06/49/134200649.db2.gz OTVPSHNGBAKCGG-UHFFFAOYSA-N 1 0 235.335 0.557 20 30 BCEDRO CC[N@H+](CCO)CCNC(=O)CCCC#N ZINC000360666100 134201874 /nfs/dbraw/zinc/20/18/74/134201874.db2.gz NVFWXDSIIHOFGA-UHFFFAOYSA-N 1 0 227.308 0.111 20 30 BCEDRO C=CCN(CCOC)C(=O)C[N@@H+](C)CCC ZINC000361076429 134203210 /nfs/dbraw/zinc/20/32/10/134203210.db2.gz PLFMNQZOUDQQRS-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]2CC[N@@H+](C)C[C@H]21 ZINC000361111942 134203413 /nfs/dbraw/zinc/20/34/13/134203413.db2.gz ZIYDWKRLGMFSMY-VXGBXAGGSA-N 1 0 237.347 0.315 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](CC)CCCO ZINC000361455053 134205465 /nfs/dbraw/zinc/20/54/65/134205465.db2.gz YPBAJZVVEPRKIQ-UHFFFAOYSA-N 1 0 241.335 0.453 20 30 BCEDRO CC(C)[C@H](CO)[NH2+]CCC(=O)N(C)CCC#N ZINC000362195145 134209310 /nfs/dbraw/zinc/20/93/10/134209310.db2.gz PRJCEJBABZDEDA-NSHDSACASA-N 1 0 241.335 0.355 20 30 BCEDRO N#CC1(NC(=O)[C@@H]2C[NH+]3CCC2CC3)CC1 ZINC000362219949 134209324 /nfs/dbraw/zinc/20/93/24/134209324.db2.gz LYQOTFFISYREQV-SNVBAGLBSA-N 1 0 219.288 0.501 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](C2CC2)C1 ZINC000362414687 134210946 /nfs/dbraw/zinc/21/09/46/134210946.db2.gz XGHSXWJDPXCDDX-JQWIXIFHSA-N 1 0 220.316 0.856 20 30 BCEDRO CCN(CCC#N)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362606673 134212968 /nfs/dbraw/zinc/21/29/68/134212968.db2.gz QNRJCEXFKGOHFP-MNOVXSKESA-N 1 0 223.320 0.946 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCCCCC#N ZINC000362755214 134214457 /nfs/dbraw/zinc/21/44/57/134214457.db2.gz GAZPWFONLINKHR-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@H]1CCC[C@H]1C#N ZINC000362876004 134214734 /nfs/dbraw/zinc/21/47/34/134214734.db2.gz OBOCXRPKXISZIZ-RHYQMDGZSA-N 1 0 235.331 0.993 20 30 BCEDRO C=CCC[N@@H+]1CCC[C@H](N2CCNCC2=O)C1 ZINC000362827626 134214753 /nfs/dbraw/zinc/21/47/53/134214753.db2.gz ANYMJWJYHHPAQF-LBPRGKRZSA-N 1 0 237.347 0.459 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](CC(N)=O)C1 ZINC000367995047 134216726 /nfs/dbraw/zinc/21/67/26/134216726.db2.gz XNRYBWAUTRXDDC-WDEREUQCSA-N 1 0 226.320 0.511 20 30 BCEDRO C#CCC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000368580231 134219334 /nfs/dbraw/zinc/21/93/34/134219334.db2.gz MJONXXRAMXRQGG-CYBMUJFWSA-N 1 0 222.332 0.806 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@@H]2CC[N@H+](C)[C@H]2C1 ZINC000370266035 134225345 /nfs/dbraw/zinc/22/53/45/134225345.db2.gz LADGLQBZSZOFKC-HCPXXLAASA-N 1 0 225.292 0.171 20 30 BCEDRO C#CCC[N@@H+]1CCO[C@H]([C@@H]2CCCO2)C1 ZINC000371209497 134227794 /nfs/dbraw/zinc/22/77/94/134227794.db2.gz URYMTGPEZFZNTE-RYUDHWBXSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000372720177 134232481 /nfs/dbraw/zinc/23/24/81/134232481.db2.gz YCHMOQWWAXNPDS-UONOGXRCSA-N 1 0 244.338 0.956 20 30 BCEDRO NC(=[NH2+])NC[C@H](c1ccccc1)N1CCOCC1 ZINC000303257961 134233378 /nfs/dbraw/zinc/23/33/78/134233378.db2.gz KCUQFCBWTHFBSA-GFCCVEGCSA-N 1 0 248.330 0.333 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C[C@H](C)O)C(C)C ZINC000304012020 134236002 /nfs/dbraw/zinc/23/60/02/134236002.db2.gz VHOOUWUZAWXWKD-JTQLQIEISA-N 1 0 214.309 0.380 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C[C@@H](C)O)C(C)C ZINC000304012021 134236177 /nfs/dbraw/zinc/23/61/77/134236177.db2.gz VHOOUWUZAWXWKD-SNVBAGLBSA-N 1 0 214.309 0.380 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000375343495 134239261 /nfs/dbraw/zinc/23/92/61/134239261.db2.gz YIFJRILKYAGIBX-VXGBXAGGSA-N 1 0 236.319 0.852 20 30 BCEDRO C=C(C)CN1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000375503036 134239835 /nfs/dbraw/zinc/23/98/35/134239835.db2.gz YOUNELVAMATDKN-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)C[N@H+](CC)CCO ZINC000123067803 134242381 /nfs/dbraw/zinc/24/23/81/134242381.db2.gz YFTZRFOZXAKVTL-NSHDSACASA-N 1 0 241.335 0.309 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000376539438 134242639 /nfs/dbraw/zinc/24/26/39/134242639.db2.gz HZBAFAIXSSKCSW-LBPRGKRZSA-N 1 0 220.316 0.954 20 30 BCEDRO CO/N=C/C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000377540847 134243967 /nfs/dbraw/zinc/24/39/67/134243967.db2.gz KIWHYBFPDYLCKC-GJSJWPQCSA-N 1 0 239.319 0.705 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000377796521 134245094 /nfs/dbraw/zinc/24/50/94/134245094.db2.gz PMABFTNGTPAEJO-NEPJUHHUSA-N 1 0 236.315 0.094 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCCN(C(C)=O)CC1 ZINC000378162340 134245601 /nfs/dbraw/zinc/24/56/01/134245601.db2.gz VPTRAWUMCBOGGE-CYBMUJFWSA-N 1 0 240.347 0.868 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)C1(C#N)CCOCC1 ZINC000168793526 134248090 /nfs/dbraw/zinc/24/80/90/134248090.db2.gz USHPYOWFOROYOK-JTQLQIEISA-N 1 0 239.319 0.373 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000170742921 134253240 /nfs/dbraw/zinc/25/32/40/134253240.db2.gz VPRWQAASCFWZMD-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO CN(C)C(=[NH+]C[C@@H]1CCCOC1)N(C)C ZINC000170908630 134254700 /nfs/dbraw/zinc/25/47/00/134254700.db2.gz YCNOSGWQKNBGNO-JTQLQIEISA-N 1 0 213.325 0.892 20 30 BCEDRO Cc1cc(CNC(=[NH2+])N2CCSCC2)on1 ZINC000170911916 134255186 /nfs/dbraw/zinc/25/51/86/134255186.db2.gz XJLPAYOEYXJQMZ-UHFFFAOYSA-N 1 0 240.332 0.847 20 30 BCEDRO C[NH+]=C(NCc1ccnc(C)n1)NC1CC1 ZINC000171410179 134257956 /nfs/dbraw/zinc/25/79/56/134257956.db2.gz DWEWFMZIYTXDRG-UHFFFAOYSA-N 1 0 219.292 0.612 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]([NH+](CC)CC)C1 ZINC000174297571 134280279 /nfs/dbraw/zinc/28/02/79/134280279.db2.gz ZHTUCHWSCXWSNB-LBPRGKRZSA-N 1 0 239.363 0.705 20 30 BCEDRO C=CCCS(=O)(=O)NCCC[NH+]1CCCC1 ZINC000178283606 134305764 /nfs/dbraw/zinc/30/57/64/134305764.db2.gz QCJQNYHDVGTPFG-UHFFFAOYSA-N 1 0 246.376 0.968 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCCCC[NH3+] ZINC000181074431 134333010 /nfs/dbraw/zinc/33/30/10/134333010.db2.gz DBJPIYKZNJBIDU-SNVBAGLBSA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCCCC[NH3+] ZINC000181074415 134333341 /nfs/dbraw/zinc/33/33/41/134333341.db2.gz DBJPIYKZNJBIDU-JTQLQIEISA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@H](C(=O)NC)C(C)C ZINC000183672302 134355896 /nfs/dbraw/zinc/35/58/96/134355896.db2.gz PMXWERKYFXJGKP-GHMZBOCLSA-N 1 0 228.336 0.674 20 30 BCEDRO C[NH+](C)CCOCCNc1nccnc1C#N ZINC000226738498 134370859 /nfs/dbraw/zinc/37/08/59/134370859.db2.gz WCCRTIBYVXQKFJ-UHFFFAOYSA-N 1 0 235.291 0.338 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000227652276 134389362 /nfs/dbraw/zinc/38/93/62/134389362.db2.gz GFFCBHGNIYOYKU-NXEZZACHSA-N 1 0 245.348 0.254 20 30 BCEDRO CC(C)[N@H+](C)CCCNC(=O)[C@@H](C)C#N ZINC000227770332 134394267 /nfs/dbraw/zinc/39/42/67/134394267.db2.gz SWKRJGRWPGQMPT-JTQLQIEISA-N 1 0 211.309 0.993 20 30 BCEDRO C[NH+](C)CCCN(CCC#N)C(=O)c1cc[nH]n1 ZINC000069576379 134399459 /nfs/dbraw/zinc/39/94/59/134399459.db2.gz XUDHEPGLNFOFHM-UHFFFAOYSA-N 1 0 249.318 0.717 20 30 BCEDRO C=CCOCCCC(=O)NC[C@@H](C)C[NH3+] ZINC000237322190 134521985 /nfs/dbraw/zinc/52/19/85/134521985.db2.gz GJNQZNVQKSQZQU-JTQLQIEISA-N 1 0 214.309 0.680 20 30 BCEDRO CCN(CCC[NH+](C)C)S(=O)(=O)[C@H](C)C#N ZINC000230714081 134533894 /nfs/dbraw/zinc/53/38/94/134533894.db2.gz KEBLYIIZAUFGFS-SNVBAGLBSA-N 1 0 247.364 0.502 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCCn2ccnn2)C1 ZINC000309609068 134598636 /nfs/dbraw/zinc/59/86/36/134598636.db2.gz YVLAWOLHEINEKV-GHMZBOCLSA-N 1 0 219.292 0.950 20 30 BCEDRO C=CCCCN(C)C(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000159156053 134763287 /nfs/dbraw/zinc/76/32/87/134763287.db2.gz VDYJMHFADROTQW-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H]([NH3+])C1CC1 ZINC000194737611 134829317 /nfs/dbraw/zinc/82/93/17/134829317.db2.gz KYBIPGYJQPOWRE-VIFPVBQESA-N 1 0 218.322 0.219 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000245930730 134871057 /nfs/dbraw/zinc/87/10/57/134871057.db2.gz PIDZSOXILKTNSB-RYUDHWBXSA-N 1 0 235.331 0.745 20 30 BCEDRO COC[C@@](C)(CCO)[NH2+]CC1(C#N)CC1 ZINC000336755724 134935175 /nfs/dbraw/zinc/93/51/75/134935175.db2.gz IFPBLBCCKQZTLT-SNVBAGLBSA-N 1 0 212.293 0.667 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)CCCC[NH3+] ZINC000336740189 134973111 /nfs/dbraw/zinc/97/31/11/134973111.db2.gz MCFWNBJLXFASDT-JTQLQIEISA-N 1 0 234.365 0.999 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CO)C1=O ZINC000337135885 135001918 /nfs/dbraw/zinc/00/19/18/135001918.db2.gz MUKVPUZSTCPTPS-WDEREUQCSA-N 1 0 224.304 0.230 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCCC[C@@H]2CO)C1=O ZINC000337146055 135002671 /nfs/dbraw/zinc/00/26/71/135002671.db2.gz XZEKGVFEHAIWLI-VXGBXAGGSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@@H](O)C2)C1=O ZINC000337170749 135003227 /nfs/dbraw/zinc/00/32/27/135003227.db2.gz DDAAIHOADSYMLQ-SRVKXCTJSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@H](O)C2)C1=O ZINC000337170747 135003261 /nfs/dbraw/zinc/00/32/61/135003261.db2.gz DDAAIHOADSYMLQ-GRYCIOLGSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@@H](O)C2)C1=O ZINC000337170750 135003296 /nfs/dbraw/zinc/00/32/96/135003296.db2.gz DDAAIHOADSYMLQ-WOPDTQHZSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H](CCO)C(C)C)C1=O ZINC000337212991 135005803 /nfs/dbraw/zinc/00/58/03/135005803.db2.gz WADRECBFYZZZDM-VXGBXAGGSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)CC2(C)COC2)C1=O ZINC000337235685 135009531 /nfs/dbraw/zinc/00/95/31/135009531.db2.gz XRNLBAIJPLHPAX-LLVKDONJSA-N 1 0 238.331 0.742 20 30 BCEDRO N#CCNC(=O)[C@@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365810322 135023616 /nfs/dbraw/zinc/02/36/16/135023616.db2.gz ABSJEPNKLHUXEX-ZJUUUORDSA-N 1 0 207.277 0.501 20 30 BCEDRO N#CCNC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000365810321 135023868 /nfs/dbraw/zinc/02/38/68/135023868.db2.gz ABSJEPNKLHUXEX-VHSXEESVSA-N 1 0 207.277 0.501 20 30 BCEDRO C[N@H+](CCNC(=O)NCC(C)(C)C#N)C1CC1 ZINC000353112760 135035858 /nfs/dbraw/zinc/03/58/58/135035858.db2.gz LQVJVWZBALNNGN-UHFFFAOYSA-N 1 0 238.335 0.930 20 30 BCEDRO N#CCCCC[N@@H+]1C[C@@H]2COC[C@H](C1)O2 ZINC000338382518 135035873 /nfs/dbraw/zinc/03/58/73/135035873.db2.gz NMWMTRIYYIKBGZ-PHIMTYICSA-N 1 0 210.277 0.780 20 30 BCEDRO C[C@H](C#N)NC(=O)[C@@H]1C[NH+]2CCC1CC2 ZINC000366212762 135048594 /nfs/dbraw/zinc/04/85/94/135048594.db2.gz WPNJRZCIPCYKLK-PSASIEDQSA-N 1 0 207.277 0.356 20 30 BCEDRO C=CCOCC[N@H+]1CCCC[C@H]1CC(N)=O ZINC000338959301 135048659 /nfs/dbraw/zinc/04/86/59/135048659.db2.gz FCAQUOFCPHHDKW-NSHDSACASA-N 1 0 226.320 0.919 20 30 BCEDRO CN1CC[C@H]([N@H+](C)[C@@H]2CC[C@@H](C#N)C2)C1=O ZINC000339002138 135050878 /nfs/dbraw/zinc/05/08/78/135050878.db2.gz XHBKEPYPDXYUQC-MXWKQRLJSA-N 1 0 221.304 0.841 20 30 BCEDRO CN1CC[C@H]([N@H+](C)CCOCCC#N)C1=O ZINC000339001837 135051081 /nfs/dbraw/zinc/05/10/81/135051081.db2.gz SJKAITZOMREWJW-JTQLQIEISA-N 1 0 225.292 0.079 20 30 BCEDRO CN1CC[C@H]([N@H+](C)[C@H]2CC[C@H](C#N)C2)C1=O ZINC000339002137 135051236 /nfs/dbraw/zinc/05/12/36/135051236.db2.gz XHBKEPYPDXYUQC-DCAQKATOSA-N 1 0 221.304 0.841 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H](C)C#N ZINC000250396299 135053742 /nfs/dbraw/zinc/05/37/42/135053742.db2.gz YPGIWEGPVILFND-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO COC(=O)[C@]1(C)CC[N@H+](CCOCCC#N)C1 ZINC000339018844 135053826 /nfs/dbraw/zinc/05/38/26/135053826.db2.gz IUNCRDGYVXVPQT-GFCCVEGCSA-N 1 0 240.303 0.802 20 30 BCEDRO CNC(=O)CCC[N@H+](C)CCOCCC#N ZINC000339051688 135054234 /nfs/dbraw/zinc/05/42/34/135054234.db2.gz UKXUASQRHAWQDW-UHFFFAOYSA-N 1 0 227.308 0.375 20 30 BCEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1CCOCCC#N ZINC000339064452 135055866 /nfs/dbraw/zinc/05/58/66/135055866.db2.gz GGZKEWZNTSHVNU-NWDGAFQWSA-N 1 0 225.336 0.941 20 30 BCEDRO C=CCOCCN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000339090064 135057855 /nfs/dbraw/zinc/05/78/55/135057855.db2.gz BAJFAKAWVHFAHQ-OLZOCXBDSA-N 1 0 242.363 0.576 20 30 BCEDRO C[N@H+](CCOCCC#N)C1(CO)CCOCC1 ZINC000339127241 135060330 /nfs/dbraw/zinc/06/03/30/135060330.db2.gz IDVJXGTZLQETBC-UHFFFAOYSA-N 1 0 242.319 0.390 20 30 BCEDRO COCC[N@H+](CCOCCC#N)[C@@H]1CCOC1 ZINC000339138064 135060730 /nfs/dbraw/zinc/06/07/30/135060730.db2.gz XOOZBQOJBIZNEZ-GFCCVEGCSA-N 1 0 242.319 0.654 20 30 BCEDRO C[C@@H]1[C@@H](CO)CC[N@@H+]1CCOCCC#N ZINC000339135896 135061198 /nfs/dbraw/zinc/06/11/98/135061198.db2.gz WSYHLMMXHRLLDL-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO C[C@@H](C#N)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339254947 135068513 /nfs/dbraw/zinc/06/85/13/135068513.db2.gz NXBFQYSZZUOUDG-VIFPVBQESA-N 1 0 232.287 0.785 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N1CCCSCC1 ZINC000332026210 135073826 /nfs/dbraw/zinc/07/38/26/135073826.db2.gz RJELYZUJTJTSKJ-SNVBAGLBSA-N 1 0 241.360 0.973 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000366398560 135075117 /nfs/dbraw/zinc/07/51/17/135075117.db2.gz CJJFHTCBJXSRHT-WYUUTHIRSA-N 1 0 211.305 0.484 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H](CC2CC2)C1 ZINC000339675250 135077440 /nfs/dbraw/zinc/07/74/40/135077440.db2.gz OAVPCQIPKQOTMT-NSHDSACASA-N 1 0 221.304 0.748 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@H](CC2CC2)C1 ZINC000339675249 135077969 /nfs/dbraw/zinc/07/79/69/135077969.db2.gz OAVPCQIPKQOTMT-LLVKDONJSA-N 1 0 221.304 0.748 20 30 BCEDRO C[C@@H](O)CC[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000332066178 135079402 /nfs/dbraw/zinc/07/94/02/135079402.db2.gz RXWFRMPBKRXLCU-SNVBAGLBSA-N 1 0 239.319 0.252 20 30 BCEDRO CC#CC[N@H+](C)CCN1CCOC[C@H]1C ZINC000339751240 135080418 /nfs/dbraw/zinc/08/04/18/135080418.db2.gz JTTZQSWSOQLWMF-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO CC#CC[N@H+](C)CCN1CCOC[C@@H]1C ZINC000339751241 135080488 /nfs/dbraw/zinc/08/04/88/135080488.db2.gz JTTZQSWSOQLWMF-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO N#Cc1csc(C[NH2+][C@H]2CCC(=O)NC2)c1 ZINC000086500287 135087188 /nfs/dbraw/zinc/08/71/88/135087188.db2.gz BEVKYWABITXPAZ-VIFPVBQESA-N 1 0 235.312 0.988 20 30 BCEDRO CCCNC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249946944 135091087 /nfs/dbraw/zinc/09/10/87/135091087.db2.gz UPEPAIKFYFXFLB-AEJSXWLSSA-N 1 0 211.309 0.868 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NC1CC[NH+](C)CC1 ZINC000340004800 135094386 /nfs/dbraw/zinc/09/43/86/135094386.db2.gz AGGVGCOUJXDWJL-JTQLQIEISA-N 1 0 238.335 0.882 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000259795486 135105430 /nfs/dbraw/zinc/10/54/30/135105430.db2.gz BUNPPAHQQFRJFV-NXEZZACHSA-N 1 0 209.293 0.841 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1cc(C)nn1C ZINC000261753119 135110929 /nfs/dbraw/zinc/11/09/29/135110929.db2.gz KGCGTKABEXKYAB-MRVPVSSYSA-N 1 0 223.324 0.931 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nccn1C(F)F ZINC000261761824 135111106 /nfs/dbraw/zinc/11/11/06/135111106.db2.gz LPBLYHBHGSSUIQ-UHFFFAOYSA-N 1 0 229.234 0.869 20 30 BCEDRO C[NH+]=C(NCc1cccc(N(C)C)n1)NC1CC1 ZINC000261732614 135111143 /nfs/dbraw/zinc/11/11/43/135111143.db2.gz YICTTYCEPCESSV-UHFFFAOYSA-N 1 0 247.346 0.975 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cc(C)nn1C ZINC000261711109 135111556 /nfs/dbraw/zinc/11/15/56/135111556.db2.gz DPNMPCSWIMAVSS-UHFFFAOYSA-N 1 0 207.281 0.319 20 30 BCEDRO CO[C@H](C)C[N@@H+]1CCCC[C@H]1C(N)=NO ZINC000252830719 135111783 /nfs/dbraw/zinc/11/17/83/135111783.db2.gz XVPLKQYHJFIBBZ-BDAKNGLRSA-N 1 0 215.297 0.622 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@](C)(O)c2ccccc2)N1 ZINC000261859297 135112426 /nfs/dbraw/zinc/11/24/26/135112426.db2.gz AHBKXKUNDPABNM-GXFFZTMASA-N 1 0 233.315 0.831 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[NH2+]C[C@H]2C)n1 ZINC000262049178 135114165 /nfs/dbraw/zinc/11/41/65/135114165.db2.gz UVCPLGKTJQGTOP-SECBINFHSA-N 1 0 217.276 0.455 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CCO[C@H](C)C1 ZINC000262015123 135114245 /nfs/dbraw/zinc/11/42/45/135114245.db2.gz VRPVCMDBOWNSTP-ZJUUUORDSA-N 1 0 211.309 0.892 20 30 BCEDRO Cc1noc(C[NH+]=C(N(C)C)N(C)C)n1 ZINC000262008843 135114711 /nfs/dbraw/zinc/11/47/11/135114711.db2.gz SMNZZIALGBQUSB-UHFFFAOYSA-N 1 0 211.269 0.357 20 30 BCEDRO C[C@H]1CCC[C@@]1(O)CNC1=[NH+]CCN1C ZINC000262303487 135117612 /nfs/dbraw/zinc/11/76/12/135117612.db2.gz XVUUYTTVMYJVGS-GXSJLCMTSA-N 1 0 211.309 0.429 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2ncccc2N(C)C)N1 ZINC000262398075 135117982 /nfs/dbraw/zinc/11/79/82/135117982.db2.gz UCUWCQZWMAEAFJ-SECBINFHSA-N 1 0 233.319 0.585 20 30 BCEDRO COC(=O)c1ccc(CNC(=[NH2+])N(C)C)o1 ZINC000262322215 135118053 /nfs/dbraw/zinc/11/80/53/135118053.db2.gz CPFWNMLJAFKSTB-UHFFFAOYSA-N 1 0 225.248 0.443 20 30 BCEDRO CNC(NCc1noc2c1CCCC2)=[NH+]C ZINC000262296307 135118093 /nfs/dbraw/zinc/11/80/93/135118093.db2.gz IYBSPRGDHKYBKD-UHFFFAOYSA-N 1 0 222.292 0.848 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@]1(N(C)C)CCSC1 ZINC000262488122 135118918 /nfs/dbraw/zinc/11/89/18/135118918.db2.gz TYEXVBQCPVEDLT-LLVKDONJSA-N 1 0 242.392 0.514 20 30 BCEDRO C[NH+]=C(NCc1ccc(C(N)=O)o1)NC(C)C ZINC000262468921 135118972 /nfs/dbraw/zinc/11/89/72/135118972.db2.gz YSAQCNOVUDSQOJ-UHFFFAOYSA-N 1 0 238.291 0.452 20 30 BCEDRO C[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[C@@H]1C ZINC000262439412 135119076 /nfs/dbraw/zinc/11/90/76/135119076.db2.gz COKWHNPQDMTSRO-POYBYMJQSA-N 1 0 223.280 0.451 20 30 BCEDRO CNC(NCC(=O)N(C)C1CCCCC1)=[NH+]C ZINC000262408186 135119078 /nfs/dbraw/zinc/11/90/78/135119078.db2.gz OWKNEAKNRPZURB-UHFFFAOYSA-N 1 0 240.351 0.572 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCN1CC=CCC1 ZINC000262423329 135119112 /nfs/dbraw/zinc/11/91/12/135119112.db2.gz BTTADIHJUINTIV-UHFFFAOYSA-N 1 0 222.336 0.729 20 30 BCEDRO C=CCNC(=[NH2+])NCc1c(C)nn(C)c1C ZINC000262617833 135119372 /nfs/dbraw/zinc/11/93/72/135119372.db2.gz BYDTVZPMFXGWRD-UHFFFAOYSA-N 1 0 221.308 0.627 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H](O)c2cccc(F)c2)N1 ZINC000262628825 135119647 /nfs/dbraw/zinc/11/96/47/135119647.db2.gz FEMSUIPWYFVUGR-KCJUWKMLSA-N 1 0 237.278 0.796 20 30 BCEDRO COC(=O)c1ccc(CNC2=[NH+]C[C@@H](C)N2)o1 ZINC000262654890 135120722 /nfs/dbraw/zinc/12/07/22/135120722.db2.gz LHLHYEMFXZOOLW-SSDOTTSWSA-N 1 0 237.259 0.504 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2cccc(O)c2)N1 ZINC000262645434 135120723 /nfs/dbraw/zinc/12/07/23/135120723.db2.gz IYXJWFIVILSXQG-VIFPVBQESA-N 1 0 219.288 0.872 20 30 BCEDRO CN(C)c1cccc(CNC2=[NH+]CCN2C)n1 ZINC000262674493 135120844 /nfs/dbraw/zinc/12/08/44/135120844.db2.gz SMWREKAMGUEBEF-UHFFFAOYSA-N 1 0 233.319 0.539 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@](C)(O)c2ccsc2)N1 ZINC000262679983 135120903 /nfs/dbraw/zinc/12/09/03/135120903.db2.gz VQNOGNZZQNFOLS-LDYMZIIASA-N 1 0 239.344 0.893 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2cn3ccccc3n2)N1 ZINC000262680722 135121148 /nfs/dbraw/zinc/12/11/48/135121148.db2.gz WBRQGXBUOHSSPW-SECBINFHSA-N 1 0 229.287 0.772 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2cn3ccccc3n2)N1 ZINC000262671386 135121162 /nfs/dbraw/zinc/12/11/62/135121162.db2.gz RFICYYCGPUILTM-JTQLQIEISA-N 1 0 243.314 0.814 20 30 BCEDRO CN1CC[NH+]=C1NCCC(=O)OC(C)(C)C ZINC000262681231 135121220 /nfs/dbraw/zinc/12/12/20/135121220.db2.gz WELSRGWBJZKTKW-UHFFFAOYSA-N 1 0 227.308 0.609 20 30 BCEDRO Cc1noc(C)c1CCNC1=[NH+]C[C@@H](C)N1 ZINC000262678137 135121231 /nfs/dbraw/zinc/12/12/31/135121231.db2.gz UUAADNOBYRPOLN-SSDOTTSWSA-N 1 0 222.292 0.771 20 30 BCEDRO [NH2+]=C(NCCOc1ncccc1F)NC1CC1 ZINC000262816212 135122646 /nfs/dbraw/zinc/12/26/46/135122646.db2.gz VWJMRDZWTAMFIG-UHFFFAOYSA-N 1 0 238.266 0.666 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1cccnn1 ZINC000262884333 135122781 /nfs/dbraw/zinc/12/27/81/135122781.db2.gz FXMGEZZHNVHAPC-MRVPVSSYSA-N 1 0 207.281 0.679 20 30 BCEDRO C[NH+]=C(NCCn1cncn1)NC1CCCC1 ZINC000263235897 135126162 /nfs/dbraw/zinc/12/61/62/135126162.db2.gz JKZVJNBNGXJKAK-UHFFFAOYSA-N 1 0 236.323 0.386 20 30 BCEDRO C[NH+]=C(NCCn1cncn1)N[C@@H](C)C(C)C ZINC000263272826 135126197 /nfs/dbraw/zinc/12/61/97/135126197.db2.gz XLERXTYBNGTWMO-JTQLQIEISA-N 1 0 238.339 0.488 20 30 BCEDRO C[C@@H](CO)[N@H+](C)CC(=O)N[C@](C)(C#N)C1CC1 ZINC000253624871 135127615 /nfs/dbraw/zinc/12/76/15/135127615.db2.gz XOWQLBHGAMKYSZ-JOYOIKCWSA-N 1 0 239.319 0.107 20 30 BCEDRO CCCCNC(=[NH2+])NCCCn1ccnc1 ZINC000264067901 135131037 /nfs/dbraw/zinc/13/10/37/135131037.db2.gz FJNPGLBDBWMDHI-UHFFFAOYSA-N 1 0 223.324 0.978 20 30 BCEDRO C=CCNC(=[NH2+])NCCCOCC1CC1 ZINC000264070975 135131102 /nfs/dbraw/zinc/13/11/02/135131102.db2.gz GDPYWLSNNAIBBI-UHFFFAOYSA-N 1 0 211.309 0.893 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@H](O)c1cccc(F)c1 ZINC000264086297 135132635 /nfs/dbraw/zinc/13/26/35/135132635.db2.gz JLSFCGJAKMGWLT-JTQLQIEISA-N 1 0 225.267 0.735 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)c1ccc(F)cc1 ZINC000264101526 135133191 /nfs/dbraw/zinc/13/31/91/135133191.db2.gz OERRJTWBNDIEJP-SECBINFHSA-N 1 0 211.240 0.393 20 30 BCEDRO COCCNC(=[NH2+])NCc1cccc(OC)c1 ZINC000264098802 135133253 /nfs/dbraw/zinc/13/32/53/135133253.db2.gz MKCLCYHBQVSHJM-UHFFFAOYSA-N 1 0 237.303 0.746 20 30 BCEDRO NC(=[NH2+])NCCCn1cnc2ccccc21 ZINC000264107381 135133287 /nfs/dbraw/zinc/13/32/87/135133287.db2.gz OBMGRXQKLXSDJI-UHFFFAOYSA-N 1 0 217.276 0.700 20 30 BCEDRO NC(=[NH2+])NCc1ccnc(N2CCCCC2)c1 ZINC000264125700 135134637 /nfs/dbraw/zinc/13/46/37/135134637.db2.gz SGIZNYYOLZYUBL-UHFFFAOYSA-N 1 0 233.319 0.845 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCC(=O)OCC ZINC000264121418 135134650 /nfs/dbraw/zinc/13/46/50/135134650.db2.gz RGHMIUKYPPAQOC-UHFFFAOYSA-N 1 0 227.308 0.810 20 30 BCEDRO CNC(NCCN(C)c1ccccc1)=[NH+]C ZINC000264130213 135134894 /nfs/dbraw/zinc/13/48/94/135134894.db2.gz TXGIVQUHKIOTFT-UHFFFAOYSA-N 1 0 220.320 0.918 20 30 BCEDRO [NH2+]=C(NCc1ccc(F)cc1)N1CCOCC1 ZINC000264137590 135134905 /nfs/dbraw/zinc/13/49/05/135134905.db2.gz VQSDTEJEBHGKCB-UHFFFAOYSA-N 1 0 237.278 0.973 20 30 BCEDRO C=CCNC(=[NH2+])NCCCC(=O)OCC ZINC000264138976 135135044 /nfs/dbraw/zinc/13/50/44/135135044.db2.gz VVWHONIYCCFHGB-UHFFFAOYSA-N 1 0 213.281 0.420 20 30 BCEDRO C=CCNC(=[NH2+])NCCCn1ccnc1C ZINC000264136377 135135171 /nfs/dbraw/zinc/13/51/71/135135171.db2.gz ZTJQSERTJIKWAO-UHFFFAOYSA-N 1 0 221.308 0.672 20 30 BCEDRO [NH2+]=C(NCc1ccc(O)cc1)N1CCOCC1 ZINC000264149357 135135688 /nfs/dbraw/zinc/13/56/88/135135688.db2.gz YRWTTZJGHZVJSX-UHFFFAOYSA-N 1 0 235.287 0.539 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCCn1ccnc1 ZINC000264153305 135135975 /nfs/dbraw/zinc/13/59/75/135135975.db2.gz ZUBISRLOKOFTQR-SNVBAGLBSA-N 1 0 223.324 0.976 20 30 BCEDRO CCCNC(=[NH2+])NC[C@H](O)Cc1ccccc1 ZINC000264294210 135137954 /nfs/dbraw/zinc/13/79/54/135137954.db2.gz QFOXNKPFJSXNKE-GFCCVEGCSA-N 1 0 235.331 0.904 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000259960088 135146209 /nfs/dbraw/zinc/14/62/09/135146209.db2.gz LOVOGKXARIDROI-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1CCC(=O)NCC#N ZINC000260151799 135147875 /nfs/dbraw/zinc/14/78/75/135147875.db2.gz SSCBIJOZHVHFJO-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C=CCOCC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000261541676 135151486 /nfs/dbraw/zinc/15/14/86/135151486.db2.gz GALGKGVYDGGULK-SNVBAGLBSA-N 1 0 212.293 0.305 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ccn(C)c1 ZINC000267296742 135153379 /nfs/dbraw/zinc/15/33/79/135153379.db2.gz KHWCUQBEUYWCCA-VIFPVBQESA-N 1 0 224.308 0.464 20 30 BCEDRO CCCNC(=[NH2+])NCc1cnc(N(C)C)n1C ZINC000267438312 135154387 /nfs/dbraw/zinc/15/43/87/135154387.db2.gz OHTXQQZSXBYUJT-UHFFFAOYSA-N 1 0 238.339 0.300 20 30 BCEDRO COCCNC(=[NH2+])NCc1cccn1C ZINC000267405049 135154393 /nfs/dbraw/zinc/15/43/93/135154393.db2.gz GSLLQCJHMBSLER-UHFFFAOYSA-N 1 0 210.281 0.076 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC(=O)OC(C)(C)C ZINC000267390150 135154425 /nfs/dbraw/zinc/15/44/25/135154425.db2.gz CTKLWLFVPNEAHT-UHFFFAOYSA-N 1 0 227.308 0.809 20 30 BCEDRO [NH2+]=C(NCc1cccc(CO)c1)N1CCOCC1 ZINC000267451785 135154772 /nfs/dbraw/zinc/15/47/72/135154772.db2.gz RTSOHMNXRDGOCP-UHFFFAOYSA-N 1 0 249.314 0.326 20 30 BCEDRO CO[C@](C)(CNC(=[NH2+])NC1CC1)C1CC1 ZINC000261529043 135154864 /nfs/dbraw/zinc/15/48/64/135154864.db2.gz AEEDVVCPPSLNGR-LLVKDONJSA-N 1 0 211.309 0.868 20 30 BCEDRO Cc1ncc(CNC2=[NH+]CCN2C)s1 ZINC000261529096 135154922 /nfs/dbraw/zinc/15/49/22/135154922.db2.gz PADSZOLODBBAFQ-UHFFFAOYSA-N 1 0 210.306 0.843 20 30 BCEDRO CNC(=[NH2+])NCCOc1ccc(F)c(F)c1 ZINC000267457968 135155167 /nfs/dbraw/zinc/15/51/67/135155167.db2.gz UHGVAXYSTYMEOI-UHFFFAOYSA-N 1 0 229.230 0.878 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](C)CN1CCOCC1 ZINC000267461452 135155199 /nfs/dbraw/zinc/15/51/99/135155199.db2.gz VGOUBTACPBITPP-LLVKDONJSA-N 1 0 240.351 0.045 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCOCC(F)F)N1 ZINC000261529491 135156005 /nfs/dbraw/zinc/15/60/05/135156005.db2.gz SONVZIMEGSUSIO-ZCFIWIBFSA-N 1 0 207.224 0.205 20 30 BCEDRO CN1CC[NH+]=C1NCCc1ccncc1 ZINC000261530627 135158516 /nfs/dbraw/zinc/15/85/16/135158516.db2.gz CVVJRFBECHSQCB-UHFFFAOYSA-N 1 0 204.277 0.515 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCOC2CCCC2)N1 ZINC000261531106 135159420 /nfs/dbraw/zinc/15/94/20/135159420.db2.gz FFDRPWDSMKLDPL-VIFPVBQESA-N 1 0 211.309 0.883 20 30 BCEDRO Cc1noc(C)c1CNC1=[NH+]C[C@H](C)N1 ZINC000261534043 135165670 /nfs/dbraw/zinc/16/56/70/135165670.db2.gz LPNVODDETSREJR-LURJTMIESA-N 1 0 208.265 0.729 20 30 BCEDRO C[C@H]1OCC[C@]1(O)CNC(=[NH2+])NC(C)(C)C ZINC000261534203 135166513 /nfs/dbraw/zinc/16/65/13/135166513.db2.gz OSAJNZZHBKRFJI-KCJUWKMLSA-N 1 0 229.324 0.229 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@]1(O)CCc2ccccc21 ZINC000269689703 135167066 /nfs/dbraw/zinc/16/70/66/135167066.db2.gz ITYPEBQPOCVKIL-ZDUSSCGKSA-N 1 0 233.315 0.697 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2cccnc2)N1 ZINC000261535668 135170223 /nfs/dbraw/zinc/17/02/23/135170223.db2.gz OZJRGUFVEUNBRH-SECBINFHSA-N 1 0 204.277 0.561 20 30 BCEDRO C[C@H]1[C@@H]([NH3+])CCN1c1ccnc(C#N)c1 ZINC000261536383 135171125 /nfs/dbraw/zinc/17/11/25/135171125.db2.gz RMPUFUROCSGEQX-KWQFWETISA-N 1 0 202.261 0.879 20 30 BCEDRO Cc1nccc(CNC2=[NH+]C[C@@H](C)N2)n1 ZINC000261538457 135176251 /nfs/dbraw/zinc/17/62/51/135176251.db2.gz YETVULXJZYBQQU-SSDOTTSWSA-N 1 0 205.265 0.222 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC[C@@H]2CCCCO2)N1 ZINC000261538746 135177316 /nfs/dbraw/zinc/17/73/16/135177316.db2.gz ZDASHATWAWEQIB-ZJUUUORDSA-N 1 0 211.309 0.883 20 30 BCEDRO CC#CC[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000293035356 135179014 /nfs/dbraw/zinc/17/90/14/135179014.db2.gz GPINYWAJDMSOTA-NSHDSACASA-N 1 0 207.277 0.199 20 30 BCEDRO C#Cc1ccc(C[NH+]2CC(C(=O)NC)C2)cc1 ZINC000297412797 135195252 /nfs/dbraw/zinc/19/52/52/135195252.db2.gz MPHMQCGYUNSLLW-UHFFFAOYSA-N 1 0 228.295 0.846 20 30 BCEDRO C=CCCS(=O)(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000261556797 135197321 /nfs/dbraw/zinc/19/73/21/135197321.db2.gz WIKNFUVXIQFZGK-JTQLQIEISA-N 1 0 232.349 0.561 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000261558182 135198358 /nfs/dbraw/zinc/19/83/58/135198358.db2.gz XYNWOWHNDMGEPN-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000261558181 135198837 /nfs/dbraw/zinc/19/88/37/135198837.db2.gz XYNWOWHNDMGEPN-AOOOYVTPSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC([NH2+]C)CC1 ZINC000261562376 135203539 /nfs/dbraw/zinc/20/35/39/135203539.db2.gz BGDFUETZCBEAKU-JTQLQIEISA-N 1 0 225.336 0.361 20 30 BCEDRO C=CCNC(=O)CN1CCCC[C@H]1C[NH3+] ZINC000044559139 135226448 /nfs/dbraw/zinc/22/64/48/135226448.db2.gz ZNDSEXWQOLYKEX-JTQLQIEISA-N 1 0 211.309 0.102 20 30 BCEDRO N#Cc1ccc(NC(=O)NCC2(O)C[NH2+]C2)cc1 ZINC000261586891 135227651 /nfs/dbraw/zinc/22/76/51/135227651.db2.gz URKIBGNWVMZMLM-UHFFFAOYSA-N 1 0 246.270 0.014 20 30 BCEDRO C=CCNC(=O)CN1CCOC[C@@]1(C)CC ZINC000340898651 135230357 /nfs/dbraw/zinc/23/03/57/135230357.db2.gz XJWGWUDPCDEMPE-GFCCVEGCSA-N 1 0 226.320 0.790 20 30 BCEDRO C[C@@H](CNC(=O)CSCC#N)C[NH+](C)C ZINC000341232892 135235462 /nfs/dbraw/zinc/23/54/62/135235462.db2.gz ZLRVUUTXRNSVEO-VIFPVBQESA-N 1 0 229.349 0.557 20 30 BCEDRO C[C@H](CNC(=O)CCCC#N)C[NH+](C)C ZINC000341261995 135235509 /nfs/dbraw/zinc/23/55/09/135235509.db2.gz ACMHSAUWZGRPHH-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO N#Cc1cc(N2CC[C@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000261545907 135237501 /nfs/dbraw/zinc/23/75/01/135237501.db2.gz GJLRUIXHYCSHML-WDEREUQCSA-N 1 0 228.299 0.999 20 30 BCEDRO c1ccc(NCCCNC2=[NH+]CCCN2)nc1 ZINC000341637181 135241413 /nfs/dbraw/zinc/24/14/13/135241413.db2.gz QWQNIBVBHNZQOW-UHFFFAOYSA-N 1 0 233.319 0.823 20 30 BCEDRO CCNC(=[NH2+])N1CC(=O)N(C(C)C)C(C)(C)C1 ZINC000261640502 135242288 /nfs/dbraw/zinc/24/22/88/135242288.db2.gz AGLZHWNXHNXDSD-UHFFFAOYSA-N 1 0 240.351 0.652 20 30 BCEDRO CC/[NH+]=C(\N(C)C)N1CCC[C@H](CC(N)=O)C1 ZINC000261667690 135245199 /nfs/dbraw/zinc/24/51/99/135245199.db2.gz BQOXRCZNLVRBEY-NOHQBZTLSA-N 1 0 240.351 0.511 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H]1Cc2ccccc2O1 ZINC000261697403 135246540 /nfs/dbraw/zinc/24/65/40/135246540.db2.gz BZRUIPBSOSTYDR-LLVKDONJSA-N 1 0 249.314 0.541 20 30 BCEDRO [NH2+]=C(NCC1CCC1)NC[C@@H]1CCCO1 ZINC000261729395 135248308 /nfs/dbraw/zinc/24/83/08/135248308.db2.gz HBWHIHDLMDDUID-JTQLQIEISA-N 1 0 211.309 0.870 20 30 BCEDRO C[C@@H]1C[C@@H]1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261734941 135248951 /nfs/dbraw/zinc/24/89/51/135248951.db2.gz HUAKCJDQMRBCPJ-BBBLOLIVSA-N 1 0 211.309 0.726 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1nnc2n1CCC2 ZINC000261746122 135248977 /nfs/dbraw/zinc/24/89/77/135248977.db2.gz JBIHEMJBEXMZOK-MRVPVSSYSA-N 1 0 236.323 0.427 20 30 BCEDRO C[C@@H]1C[C@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261734961 135249003 /nfs/dbraw/zinc/24/90/03/135249003.db2.gz HUAKCJDQMRBCPJ-KXUCPTDWSA-N 1 0 211.309 0.726 20 30 BCEDRO C[NH+](C)C1CN(C(=O)CSCC#N)C1 ZINC000342143064 135250479 /nfs/dbraw/zinc/25/04/79/135250479.db2.gz VPLHKYFSLVGCDN-UHFFFAOYSA-N 1 0 213.306 0.016 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C[N@@H+](C)CCC ZINC000342153500 135251363 /nfs/dbraw/zinc/25/13/63/135251363.db2.gz CCCDWBRDFOZCRY-LLVKDONJSA-N 1 0 228.336 0.629 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CCSC[C@H]1C#N ZINC000342207342 135252643 /nfs/dbraw/zinc/25/26/43/135252643.db2.gz BQWUFDCESCTJRO-SNVBAGLBSA-N 1 0 241.360 0.796 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@H](CC)[NH+](C)C ZINC000342215614 135252748 /nfs/dbraw/zinc/25/27/48/135252748.db2.gz SXANMUBOTIWRHS-MNOVXSKESA-N 1 0 228.336 0.627 20 30 BCEDRO C=CCNC(=O)N[C@H]1CCC[N@H+](C)[C@H]1C ZINC000342207882 135252820 /nfs/dbraw/zinc/25/28/20/135252820.db2.gz UPBXNABUAVPOLY-UWVGGRQHSA-N 1 0 211.309 0.954 20 30 BCEDRO C[C@H](NC(N)=[NH2+])c1ccc([S@](C)=O)cc1 ZINC000261831780 135256087 /nfs/dbraw/zinc/25/60/87/135256087.db2.gz VMAAFUUIHWTCLR-ZIDLFYJRSA-N 1 0 225.317 0.758 20 30 BCEDRO C[C@H](NC(N)=[NH2+])c1ccc([S@@](C)=O)cc1 ZINC000261831777 135256238 /nfs/dbraw/zinc/25/62/38/135256238.db2.gz VMAAFUUIHWTCLR-NZFNHWASSA-N 1 0 225.317 0.758 20 30 BCEDRO Cc1cc(CNC(=[NH2+])NC[C@H]2CCCO2)on1 ZINC000261916373 135262825 /nfs/dbraw/zinc/26/28/25/135262825.db2.gz ZLYKGIXSXBWRFA-SECBINFHSA-N 1 0 238.291 0.566 20 30 BCEDRO C[C@H]1COCCN1CC[NH+]=C(N(C)C)N(C)C ZINC000261967538 135267120 /nfs/dbraw/zinc/26/71/20/135267120.db2.gz BTZITGZQQOYLDS-NSHDSACASA-N 1 0 242.367 0.186 20 30 BCEDRO CC(C)NC(=[NH2+])NCC(=O)NC1CCCCC1 ZINC000261973745 135268192 /nfs/dbraw/zinc/26/81/92/135268192.db2.gz FCWNEVMPFFVAML-UHFFFAOYSA-N 1 0 240.351 0.748 20 30 BCEDRO C[C@@H]1C[C@@H](CNC(=[NH2+])NC2CC2)CCO1 ZINC000261979314 135268704 /nfs/dbraw/zinc/26/87/04/135268704.db2.gz HKUJVIANCLMULH-BDAKNGLRSA-N 1 0 211.309 0.868 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1nc(C)no1 ZINC000261988371 135269437 /nfs/dbraw/zinc/26/94/37/135269437.db2.gz KWRPMBFSUVSWLQ-UHFFFAOYSA-N 1 0 209.253 0.358 20 30 BCEDRO CCn1cnnc1CNC(=[NH2+])NCC1CCC1 ZINC000261984898 135269629 /nfs/dbraw/zinc/26/96/29/135269629.db2.gz JNYJMZJNYVGTCO-UHFFFAOYSA-N 1 0 236.323 0.502 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCCn2cccn2)C1 ZINC000261986078 135269681 /nfs/dbraw/zinc/26/96/81/135269681.db2.gz JWUWTQLPQGDRCA-LLVKDONJSA-N 1 0 235.335 0.930 20 30 BCEDRO Cn1cc(CCNC(=[NH2+])Nc2ccccn2)cn1 ZINC000262007952 135272042 /nfs/dbraw/zinc/27/20/42/135272042.db2.gz SGSPPCIOOVWHDE-UHFFFAOYSA-N 1 0 244.302 0.784 20 30 BCEDRO CN(C)C(=[NH+]CC1(O)CCOCC1)N(C)C ZINC000262008756 135272090 /nfs/dbraw/zinc/27/20/90/135272090.db2.gz SKQIYZCHMJGHFE-UHFFFAOYSA-N 1 0 229.324 0.007 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCCn2cncn2)C1 ZINC000262013641 135273271 /nfs/dbraw/zinc/27/32/71/135273271.db2.gz VCHXHTZAXHRDMV-SNVBAGLBSA-N 1 0 236.323 0.325 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCO[C@H](C)C1 ZINC000262024827 135273839 /nfs/dbraw/zinc/27/38/39/135273839.db2.gz ZBSXPFKRZXJDTM-HBNTYKKESA-N 1 0 243.351 0.741 20 30 BCEDRO CC#CCNC(=O)NCCN1CCOC[C@H]1C ZINC000342433884 135274201 /nfs/dbraw/zinc/27/42/01/135274201.db2.gz VQESHTVSXPDEMB-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO C=CCNC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000262132230 135280481 /nfs/dbraw/zinc/28/04/81/135280481.db2.gz DAOJDYKYFCQJSQ-NSHDSACASA-N 1 0 211.309 0.861 20 30 BCEDRO C#C[C@@H](NC(=[NH2+])NC[C@H]1CCCO1)C(C)C ZINC000262121641 135280707 /nfs/dbraw/zinc/28/07/07/135280707.db2.gz JUNSPHPTVSNCOC-GHMZBOCLSA-N 1 0 223.320 0.728 20 30 BCEDRO C[NH+]=C(NCc1nc(C)no1)NC1CC1 ZINC000262198116 135285364 /nfs/dbraw/zinc/28/53/64/135285364.db2.gz ZTYCLIFBDHNVRS-UHFFFAOYSA-N 1 0 209.253 0.205 20 30 BCEDRO Cn1nncc1CNC(=[NH2+])NC(C)(C)C ZINC000262255230 135288021 /nfs/dbraw/zinc/28/80/21/135288021.db2.gz DWLAAEGZUQKJFW-UHFFFAOYSA-N 1 0 210.285 0.018 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)N1CCSCC1 ZINC000262273561 135289284 /nfs/dbraw/zinc/28/92/84/135289284.db2.gz KRDISWHILCQUHF-VIFPVBQESA-N 1 0 229.349 0.529 20 30 BCEDRO [NH2+]=C(NCC1CCC1)NC[C@]1(O)CCSC1 ZINC000262341235 135293932 /nfs/dbraw/zinc/29/39/32/135293932.db2.gz AJOUSNBOEKUNIL-LLVKDONJSA-N 1 0 243.376 0.559 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCc2cncn2C)C1 ZINC000262343107 135294038 /nfs/dbraw/zinc/29/40/38/135294038.db2.gz DCFOJIPNPWYTJG-JTQLQIEISA-N 1 0 235.335 0.967 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1ncnn1CC ZINC000262342880 135294094 /nfs/dbraw/zinc/29/40/94/135294094.db2.gz HICLRUQHKXGFJP-MRVPVSSYSA-N 1 0 224.312 0.501 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@@H](O)C1(C)C ZINC000262409873 135295569 /nfs/dbraw/zinc/29/55/69/135295569.db2.gz CWCDTTHSKKAIBX-XHNCKOQMSA-N 1 0 213.325 0.849 20 30 BCEDRO Cc1cc(CNC(=[NH2+])N2CCO[C@H](C)C2)on1 ZINC000262419739 135296242 /nfs/dbraw/zinc/29/62/42/135296242.db2.gz ATUKFKSKPSXQGW-SECBINFHSA-N 1 0 238.291 0.518 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000262430242 135296874 /nfs/dbraw/zinc/29/68/74/135296874.db2.gz SJECIAQHYPYJPV-QMMMGPOBSA-N 1 0 217.338 0.433 20 30 BCEDRO Cn1cncc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262373338 135298026 /nfs/dbraw/zinc/29/80/26/135298026.db2.gz MISBKDHSOHSVMR-SNVBAGLBSA-N 1 0 237.307 0.003 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CCCN(C(C)=O)C1 ZINC000262384840 135298457 /nfs/dbraw/zinc/29/84/57/135298457.db2.gz OPRNDWNRAGEPKP-LLVKDONJSA-N 1 0 238.335 0.335 20 30 BCEDRO [NH2+]=C(NCC1CCC1)N[C@@H]1CCn2ccnc2C1 ZINC000262439535 135299279 /nfs/dbraw/zinc/29/92/79/135299279.db2.gz AFXOJQTZLVLSKC-LLVKDONJSA-N 1 0 247.346 0.902 20 30 BCEDRO C=C(C)COCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262451022 135300290 /nfs/dbraw/zinc/30/02/90/135300290.db2.gz JUKJBIOPNRHHAW-NSHDSACASA-N 1 0 241.335 0.615 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCSC2)CCO1 ZINC000262460693 135300687 /nfs/dbraw/zinc/30/06/87/135300687.db2.gz MGYYKIDWBQQSEF-UWVGGRQHSA-N 1 0 243.376 0.775 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H]2CCCC[N@@H+]2C2CC2)N1 ZINC000262474235 135301395 /nfs/dbraw/zinc/30/13/95/135301395.db2.gz BQQHFWWZPZUFPM-CMPLNLGQSA-N 1 0 236.363 0.941 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCC2CCC2)CCO1 ZINC000262475655 135301668 /nfs/dbraw/zinc/30/16/68/135301668.db2.gz QAPFDSVXWNUPGE-VIFPVBQESA-N 1 0 211.309 0.822 20 30 BCEDRO [NH2+]=C(NCC(=O)NC1CC1)N1CCCCCC1 ZINC000262499558 135302361 /nfs/dbraw/zinc/30/23/61/135302361.db2.gz KMKUNUDZUHSMEO-UHFFFAOYSA-N 1 0 238.335 0.456 20 30 BCEDRO Cc1nccc(CNC(=[NH2+])N2CCO[C@H](C)C2)n1 ZINC000262496212 135302379 /nfs/dbraw/zinc/30/23/79/135302379.db2.gz WMHAINSENWQWLK-SECBINFHSA-N 1 0 249.318 0.320 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCC[C@@H]2O)CCO1 ZINC000262490446 135302399 /nfs/dbraw/zinc/30/23/99/135302399.db2.gz UPWLEEKHQSHXMD-MXWKQRLJSA-N 1 0 241.335 0.183 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@]2(C)CCCO2)CCO1 ZINC000262506188 135303395 /nfs/dbraw/zinc/30/33/95/135303395.db2.gz ZWYBVHLSNMQCRN-PWSUYJOCSA-N 1 0 241.335 0.591 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@]1(C)CCOC1 ZINC000262520037 135304135 /nfs/dbraw/zinc/30/41/35/135304135.db2.gz IBYZRPYSCIOEPG-ONGXEEELSA-N 1 0 229.324 0.352 20 30 BCEDRO CN(C)C(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262540993 135304726 /nfs/dbraw/zinc/30/47/26/135304726.db2.gz RVLJWEWGNOANFY-YIZRAAEISA-N 1 0 211.309 0.676 20 30 BCEDRO CC(=O)N1CCC[C@@H](CNC2=[NH+]C[C@H](C)N2)C1 ZINC000262625044 135309751 /nfs/dbraw/zinc/30/97/51/135309751.db2.gz DGGLODLUJMFQRA-ONGXEEELSA-N 1 0 238.335 0.182 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@](C)(O)C(F)(F)F)N1 ZINC000262632606 135309896 /nfs/dbraw/zinc/30/98/96/135309896.db2.gz GAPSQQGCJQDOMM-VDTYLAMSSA-N 1 0 225.214 0.237 20 30 BCEDRO CO[C@]1(C[NH+]=C(N(C)C)N(C)C)CCOC1 ZINC000262640219 135310151 /nfs/dbraw/zinc/31/01/51/135310151.db2.gz HGYREHIRCADMNW-NSHDSACASA-N 1 0 229.324 0.271 20 30 BCEDRO COC(=O)c1cccc(CNC2=[NH+]CCN2C)c1 ZINC000262642823 135310199 /nfs/dbraw/zinc/31/01/99/135310199.db2.gz ICXUMGYDQVFVSP-UHFFFAOYSA-N 1 0 247.298 0.864 20 30 BCEDRO CO[C@H]1CCC[C@@H]1CNC1=[NH+]CCN1C ZINC000262653977 135311120 /nfs/dbraw/zinc/31/11/20/135311120.db2.gz KZEXFKOKNCLZKV-ZJUUUORDSA-N 1 0 211.309 0.693 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCNC(=O)C(C)(C)C)N1 ZINC000262646070 135311271 /nfs/dbraw/zinc/31/12/71/135311271.db2.gz JERBTELLRAIUAL-QMMMGPOBSA-N 1 0 226.324 0.086 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCOC[C@@H]1C ZINC000262644138 135311379 /nfs/dbraw/zinc/31/13/79/135311379.db2.gz IQFGYARCINHHIG-DCAQKATOSA-N 1 0 243.351 0.598 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@]2(C)CCCC[C@H]2O)N1 ZINC000262666293 135312520 /nfs/dbraw/zinc/31/25/20/135312520.db2.gz OXTVCENTHPILJV-FOGDFJRCSA-N 1 0 225.336 0.865 20 30 BCEDRO CN1CC[NH+]=C1NCc1cnn2ccccc12 ZINC000262682997 135312949 /nfs/dbraw/zinc/31/29/49/135312949.db2.gz XAZSTXRFOBZLSV-UHFFFAOYSA-N 1 0 229.287 0.725 20 30 BCEDRO CN1CC[NH+]=C1NC[C@](C)(O)C(F)(F)F ZINC000262681708 135313308 /nfs/dbraw/zinc/31/33/08/135313308.db2.gz WLVODBTXNSYWTQ-ZETCQYMHSA-N 1 0 225.214 0.191 20 30 BCEDRO CNC(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)=[NH+]C ZINC000262684632 135313309 /nfs/dbraw/zinc/31/33/09/135313309.db2.gz UPWBOBOKXKMXSB-DJLDLDEBSA-N 1 0 211.309 0.595 20 30 BCEDRO C[C@H]1C[NH+]=C(NCC(C)(C)N2CCOCC2)N1 ZINC000262686230 135313760 /nfs/dbraw/zinc/31/37/60/135313760.db2.gz YMHIWLVUZBVPQY-JTQLQIEISA-N 1 0 240.351 0.035 20 30 BCEDRO CCNC(=O)C1(CNC2=[NH+]C[C@@H](C)N2)CCC1 ZINC000262689982 135313808 /nfs/dbraw/zinc/31/38/08/135313808.db2.gz ZUTQZPXPHHESNE-SECBINFHSA-N 1 0 238.335 0.230 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)N[C@@H](C)C(=O)N(C)C ZINC000342717303 135313933 /nfs/dbraw/zinc/31/39/33/135313933.db2.gz FDSPDUHKBJCTAC-JTQLQIEISA-N 1 0 241.335 0.087 20 30 BCEDRO C[C@H]1C[NH+]=C(NCC2CC(F)(F)C2)N1 ZINC000262712404 135314981 /nfs/dbraw/zinc/31/49/81/135314981.db2.gz QEZXZKGTOWIEKC-LURJTMIESA-N 1 0 203.236 0.969 20 30 BCEDRO Cc1nnsc1CNC(=[NH2+])NC1CC1 ZINC000262696081 135315124 /nfs/dbraw/zinc/31/51/24/135315124.db2.gz HZFNOPVDZORCAV-UHFFFAOYSA-N 1 0 211.294 0.413 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC1CC(F)(F)C1 ZINC000262723658 135315531 /nfs/dbraw/zinc/31/55/31/135315531.db2.gz XKKXEXXAUJSOBF-ZETCQYMHSA-N 1 0 235.278 0.971 20 30 BCEDRO C=CCC[N@@H+](C)CCC(=O)N(C)CC(=O)OC ZINC000342735234 135316749 /nfs/dbraw/zinc/31/67/49/135316749.db2.gz PBYHXSRZNGAXIZ-UHFFFAOYSA-N 1 0 242.319 0.516 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC1([S@](C)=O)CC1 ZINC000262760342 135317028 /nfs/dbraw/zinc/31/70/28/135317028.db2.gz DAZLJFNANMRWJG-GLEZIHRCSA-N 1 0 231.365 0.600 20 30 BCEDRO CN(C(=[NH2+])NCC1([S@@](C)=O)CC1)C1CC1 ZINC000262770479 135317308 /nfs/dbraw/zinc/31/73/08/135317308.db2.gz HLWLNOFPTTZFQQ-OAHLLOKOSA-N 1 0 229.349 0.306 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1ccc(C(N)=O)nc1 ZINC000262759641 135317385 /nfs/dbraw/zinc/31/73/85/135317385.db2.gz RBTUFUZRNZOFDL-UHFFFAOYSA-N 1 0 247.302 0.161 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCC=CO1 ZINC000262805858 135319038 /nfs/dbraw/zinc/31/90/38/135319038.db2.gz NLLSAZMTTICKDC-WDEREUQCSA-N 1 0 239.319 0.762 20 30 BCEDRO C[S@](=O)C1(CNC(=[NH2+])NC(C)(C)C)CCC1 ZINC000262844969 135321752 /nfs/dbraw/zinc/32/17/52/135321752.db2.gz VLKNLZDGHOEROD-INIZCTEOSA-N 1 0 245.392 0.990 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@H]1C[C@H](OC)C1(C)C ZINC000262855794 135321941 /nfs/dbraw/zinc/32/19/41/135321941.db2.gz XYNAWMNRXHFRCL-GUBZILKMSA-N 1 0 243.351 0.739 20 30 BCEDRO CCn1nc(C)c(CNC(=[NH2+])N(C)C2CC2)n1 ZINC000263028995 135327529 /nfs/dbraw/zinc/32/75/29/135327529.db2.gz GRTRLQUVVRUFLZ-UHFFFAOYSA-N 1 0 236.323 0.515 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)N[C@@H]1CC12CC2 ZINC000263038351 135327948 /nfs/dbraw/zinc/32/79/48/135327948.db2.gz IGWPZILNNCXREK-DTWKUNHWSA-N 1 0 209.293 0.622 20 30 BCEDRO CCn1nc(C)c(CNC(NC2CC2)=[NH+]C)n1 ZINC000263042030 135328778 /nfs/dbraw/zinc/32/87/78/135328778.db2.gz JCPDWWTWOBNPIH-UHFFFAOYSA-N 1 0 236.323 0.434 20 30 BCEDRO [NH2+]=C(NCc1cnn2ccccc12)N1CCC1 ZINC000263045914 135329354 /nfs/dbraw/zinc/32/93/54/135329354.db2.gz CXAACHVEBCTPOS-UHFFFAOYSA-N 1 0 229.287 0.855 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1nn(CC)nc1C ZINC000263073835 135331074 /nfs/dbraw/zinc/33/10/74/135331074.db2.gz QBDLMVKPXPTLMZ-UHFFFAOYSA-N 1 0 236.323 0.587 20 30 BCEDRO CN1CC[NH+]=C1NC[C@]1(O)CCCC1(C)C ZINC000263072287 135331131 /nfs/dbraw/zinc/33/11/31/135331131.db2.gz GWAXUMUHCGVYQS-GFCCVEGCSA-N 1 0 225.336 0.819 20 30 BCEDRO [NH2+]=C(NCCOC(F)(F)F)N1CCC1 ZINC000263094828 135332825 /nfs/dbraw/zinc/33/28/25/135332825.db2.gz JFLIJIRGZCSCLE-UHFFFAOYSA-N 1 0 211.187 0.543 20 30 BCEDRO [NH2+]=C(NCCOCC(F)F)N1CCC1 ZINC000263099934 135332900 /nfs/dbraw/zinc/33/29/00/135332900.db2.gz JUPRHNPLUARRPF-UHFFFAOYSA-N 1 0 207.224 0.289 20 30 BCEDRO N#C[C@@H]1CN(C(=O)C23CCC[NH+]2CCC3)CCO1 ZINC000366791812 135334178 /nfs/dbraw/zinc/33/41/78/135334178.db2.gz DIIODZDZPNLSDA-LLVKDONJSA-N 1 0 249.314 0.366 20 30 BCEDRO CO[C@H]1CCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000263129764 135334913 /nfs/dbraw/zinc/33/49/13/135334913.db2.gz GIEGTFYKMVUMEU-WPRPVWTQSA-N 1 0 211.309 0.868 20 30 BCEDRO CC1(C)CCC[C@]1(O)CNC(=[NH2+])N1CCC1 ZINC000263159248 135336548 /nfs/dbraw/zinc/33/65/48/135336548.db2.gz QJWLYSTZMQOTLK-LBPRGKRZSA-N 1 0 225.336 0.948 20 30 BCEDRO CO[C@@H]1C[C@H](NC(=[NH2+])N(C)C)C12CCC2 ZINC000263170229 135337101 /nfs/dbraw/zinc/33/71/01/135337101.db2.gz RYWDDLVYNLNWCC-DTWKUNHWSA-N 1 0 211.309 0.820 20 30 BCEDRO CO[C@](C)(CNC(=[NH2+])N1CCC1)C1CC1 ZINC000263193211 135338495 /nfs/dbraw/zinc/33/84/95/135338495.db2.gz WABBZHIACVFPFX-LLVKDONJSA-N 1 0 211.309 0.822 20 30 BCEDRO Cc1ccc(CCNC2=[NH+]C[C@@H](C)N2)nc1 ZINC000263196680 135338612 /nfs/dbraw/zinc/33/86/12/135338612.db2.gz WOHUQDJZVCMZLW-SNVBAGLBSA-N 1 0 218.304 0.870 20 30 BCEDRO [NH2+]=C(NCC[C@@H]1CCCCO1)N1CCC1 ZINC000263203575 135339645 /nfs/dbraw/zinc/33/96/45/135339645.db2.gz XTXPCLBUTNQEQW-JTQLQIEISA-N 1 0 211.309 0.966 20 30 BCEDRO C[C@@H]1COCC[C@H]1CNC1=[NH+]CCCN1C ZINC000263213030 135340073 /nfs/dbraw/zinc/34/00/73/135340073.db2.gz ZKIZPFROJSOHCX-MNOVXSKESA-N 1 0 225.336 0.940 20 30 BCEDRO [NH2+]=C(NCCn1ccnc1)N1CCSCC1 ZINC000263239703 135342072 /nfs/dbraw/zinc/34/20/72/135342072.db2.gz KUMJORWPPPKFEO-UHFFFAOYSA-N 1 0 239.348 0.247 20 30 BCEDRO C[NH+]=C(NCc1nc(C)no1)NC(C)(C)C ZINC000263254653 135342514 /nfs/dbraw/zinc/34/25/14/135342514.db2.gz QCIMMWLRDONVGD-UHFFFAOYSA-N 1 0 225.296 0.842 20 30 BCEDRO CNC(NCCc1csc(C)n1)=[NH+]C ZINC000263929689 135361769 /nfs/dbraw/zinc/36/17/69/135361769.db2.gz ADSMVWUNJBMBTR-UHFFFAOYSA-N 1 0 212.322 0.789 20 30 BCEDRO CNC(=[NH2+])NCCN(C)Cc1ccccc1 ZINC000264073059 135361836 /nfs/dbraw/zinc/36/18/36/135361836.db2.gz DTCMJJFVBQHZCO-UHFFFAOYSA-N 1 0 220.320 0.653 20 30 BCEDRO CNC(NCCCc1c[nH]nc1C)=[NH+]C ZINC000264064878 135361920 /nfs/dbraw/zinc/36/19/20/135361920.db2.gz DTYNLBMBFRYKFD-UHFFFAOYSA-N 1 0 209.297 0.446 20 30 BCEDRO CNC(NCc1ccc(OC)cc1OC)=[NH+]C ZINC000263934081 135361953 /nfs/dbraw/zinc/36/19/53/135361953.db2.gz BEHSPCGPTZDNJP-UHFFFAOYSA-N 1 0 237.303 0.999 20 30 BCEDRO CCCNC(=[NH2+])NCc1cccc(CO)c1 ZINC000267438531 135364087 /nfs/dbraw/zinc/36/40/87/135364087.db2.gz OMGOIDFFMWEZLN-UHFFFAOYSA-N 1 0 221.304 0.993 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000291503127 135375347 /nfs/dbraw/zinc/37/53/47/135375347.db2.gz HPSZPVNJFFNMDE-MRVPVSSYSA-N 1 0 224.260 0.438 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCOC1(C)C ZINC000295127902 135377606 /nfs/dbraw/zinc/37/76/06/135377606.db2.gz AOJVPHKXVQIMES-UWVGGRQHSA-N 1 0 226.320 0.834 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[N@H+](C)CC[C@H]1C ZINC000334399235 135388356 /nfs/dbraw/zinc/38/83/56/135388356.db2.gz DJHWEAHEXZDLPY-GHMZBOCLSA-N 1 0 238.335 0.882 20 30 BCEDRO CN/C(=[NH+]/C)N1CCN(c2ccccn2)CC1 ZINC000073469580 135389200 /nfs/dbraw/zinc/38/92/00/135389200.db2.gz HJOCJQGAFPRNSM-UHFFFAOYSA-N 1 0 233.319 0.409 20 30 BCEDRO N#CCc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000331279159 135394916 /nfs/dbraw/zinc/39/49/16/135394916.db2.gz ATXWFLTXSTWONC-STQMWFEESA-N 1 0 232.283 0.290 20 30 BCEDRO C[C@H]1CN(CC#N)CC[C@H]1[NH+]1CCN(C)CC1 ZINC000343921915 135710884 /nfs/dbraw/zinc/71/08/84/135710884.db2.gz ISBGZTSMBRDBCA-QWHCGFSZSA-N 1 0 236.363 0.468 20 30 BCEDRO Cc1cc(C#N)cc(NC(=O)NCC[NH3+])c1 ZINC000334856213 135824801 /nfs/dbraw/zinc/82/48/01/135824801.db2.gz MLROKDYKZIKTKI-UHFFFAOYSA-N 1 0 218.260 0.947 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000334931883 135844525 /nfs/dbraw/zinc/84/45/25/135844525.db2.gz QZDWJTKSQNMCMY-ZJUUUORDSA-N 1 0 209.293 0.307 20 30 BCEDRO C=CCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000334954313 135849727 /nfs/dbraw/zinc/84/97/27/135849727.db2.gz ZVUREBQFBCPIRJ-NXEZZACHSA-N 1 0 211.309 0.812 20 30 BCEDRO C[C@H]1COCCN1CC[NH2+]Cc1ccc(C#N)o1 ZINC000347758723 136012078 /nfs/dbraw/zinc/01/20/78/136012078.db2.gz YQIFKVAVQVVPLQ-NSHDSACASA-N 1 0 249.314 0.962 20 30 BCEDRO C=CCOCCC[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000348101890 136036147 /nfs/dbraw/zinc/03/61/47/136036147.db2.gz MJXCSDYHSIXAQD-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO C=CCOCCC[N@@H+]1C[C@H](CO)O[C@@H](C)C1 ZINC000348192809 136049471 /nfs/dbraw/zinc/04/94/71/136049471.db2.gz JGCSWIQQCLJHRV-NWDGAFQWSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000367045562 136105748 /nfs/dbraw/zinc/10/57/48/136105748.db2.gz MYRPXRTXSRPTMZ-CYBMUJFWSA-N 1 0 249.358 0.577 20 30 BCEDRO C#CCCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000367053979 136115756 /nfs/dbraw/zinc/11/57/56/136115756.db2.gz HVGKKPNCOMLHLG-UHFFFAOYSA-N 1 0 221.304 0.499 20 30 BCEDRO Cn1nncc1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308914447 397843084 /nfs/dbraw/zinc/84/30/84/397843084.db2.gz GQLHVKKFEIODMS-IUCAKERBSA-N 1 0 205.265 0.597 20 30 BCEDRO Cn1nncc1C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000308914448 397843143 /nfs/dbraw/zinc/84/31/43/397843143.db2.gz GQLHVKKFEIODMS-RKDXNWHRSA-N 1 0 205.265 0.597 20 30 BCEDRO CN(CC(=O)NCC#N)CC1([NH+](C)C)CCC1 ZINC000186990426 397928948 /nfs/dbraw/zinc/92/89/48/397928948.db2.gz SUHPMCXKGGRPEM-UHFFFAOYSA-N 1 0 238.335 0.042 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CCC[C@@](C)(C#N)C1 ZINC000593977332 397965020 /nfs/dbraw/zinc/96/50/20/397965020.db2.gz PLRBWISOWXNJLX-STQMWFEESA-N 1 0 239.363 0.925 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](O)[C@H]1C ZINC000650187087 397967749 /nfs/dbraw/zinc/96/77/49/397967749.db2.gz RATYDBKRBFYSQD-VXGBXAGGSA-N 1 0 238.331 0.642 20 30 BCEDRO C[C@H](CC#N)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000590800520 397915980 /nfs/dbraw/zinc/91/59/80/397915980.db2.gz YVSBZUJMUNDWBL-UTUOFQBUSA-N 1 0 223.320 0.741 20 30 BCEDRO C#C[C@H](NC(=O)N(C)CC[NH+](C)C)C(C)C ZINC000297984706 397998806 /nfs/dbraw/zinc/99/88/06/397998806.db2.gz MVTOKCJFFRAHSA-NSHDSACASA-N 1 0 225.336 0.847 20 30 BCEDRO CN([C@@H]1CCC[N@H+](C)C1)S(=O)(=O)CCC#N ZINC000408194321 398016038 /nfs/dbraw/zinc/01/60/38/398016038.db2.gz XOOQMVJMNBNHSN-SNVBAGLBSA-N 1 0 245.348 0.256 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1C[C@@H](C)O[C@H](C)C1 ZINC000491616289 398048220 /nfs/dbraw/zinc/04/82/20/398048220.db2.gz IMHIIZKJMBXELM-GHMZBOCLSA-N 1 0 238.331 0.672 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](CO)CC1 ZINC000491118785 398032909 /nfs/dbraw/zinc/03/29/09/398032909.db2.gz FVKPSJFVZFLIRU-GFCCVEGCSA-N 1 0 238.331 0.220 20 30 BCEDRO C#C[C@@H](NC(=O)N1CCC[NH2+]CC1)C(C)C ZINC000491305122 398037883 /nfs/dbraw/zinc/03/78/83/398037883.db2.gz HZQWEYDMWGKKBY-LLVKDONJSA-N 1 0 223.320 0.649 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1ncnn1C ZINC000320185288 397969704 /nfs/dbraw/zinc/96/97/04/397969704.db2.gz AGNQAXXVEFHZDT-VIFPVBQESA-N 1 0 210.281 0.232 20 30 BCEDRO C[NH+]1CCC(NS(=O)(=O)CCCC#N)CC1 ZINC000408169302 397971629 /nfs/dbraw/zinc/97/16/29/397971629.db2.gz MWEQBYJWMYBFSN-UHFFFAOYSA-N 1 0 245.348 0.304 20 30 BCEDRO C[C@@]1(NC(=O)[C@H]([NH3+])CCCCC#N)CCOC1 ZINC000594439472 397974074 /nfs/dbraw/zinc/97/40/74/397974074.db2.gz QWIFMSIBBXAFJS-ZYHUDNBSSA-N 1 0 239.319 0.693 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])NCCC(C)C ZINC000271980441 397976292 /nfs/dbraw/zinc/97/62/92/397976292.db2.gz WTFPEZSFQAMONN-UHFFFAOYSA-N 1 0 226.324 0.239 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCCC ZINC000451598996 397978620 /nfs/dbraw/zinc/97/86/20/397978620.db2.gz MPKFAZZBVVAWNV-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](O)CC ZINC000297617307 397984446 /nfs/dbraw/zinc/98/44/46/397984446.db2.gz XHWGKPQFHCCKAG-NSHDSACASA-N 1 0 241.335 0.012 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000259691096 397987357 /nfs/dbraw/zinc/98/73/57/397987357.db2.gz AVABFTZIASWABI-HBNTYKKESA-N 1 0 221.304 0.889 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N1CC[NH+]2CCC1CC2 ZINC000491737844 398063850 /nfs/dbraw/zinc/06/38/50/398063850.db2.gz RABFZOKDTCNQEE-NSHDSACASA-N 1 0 235.331 0.888 20 30 BCEDRO C#CCN(C(=O)[C@@H]1CN(CC)CCO1)C1CC1 ZINC000491763910 398065418 /nfs/dbraw/zinc/06/54/18/398065418.db2.gz CHIFQAVUOUVEQD-LBPRGKRZSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C(C)(C)CO ZINC000491766488 398065741 /nfs/dbraw/zinc/06/57/41/398065741.db2.gz DNAXZJAPBOVKBG-UHFFFAOYSA-N 1 0 226.320 0.076 20 30 BCEDRO C[C@@H]1C[C@@H](C[NH3+])CN1C(=O)C1(C#N)CCC1 ZINC000602480063 398074830 /nfs/dbraw/zinc/07/48/30/398074830.db2.gz FELKMNIRMZFOFO-ZJUUUORDSA-N 1 0 221.304 0.876 20 30 BCEDRO COCC#CC[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000649707689 398054968 /nfs/dbraw/zinc/05/49/68/398054968.db2.gz CCRWSJAMWFPTPN-OLZOCXBDSA-N 1 0 238.331 0.041 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NO[C@@H](C)C=C ZINC000491656339 398055470 /nfs/dbraw/zinc/05/54/70/398055470.db2.gz SFCCBUWIDCGQNC-NSHDSACASA-N 1 0 239.319 0.747 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCn2cc(C)nc2C1 ZINC000613400931 398098275 /nfs/dbraw/zinc/09/82/75/398098275.db2.gz GBILVTCVMTVMDG-SECBINFHSA-N 1 0 221.260 0.081 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)COC1CCOCC1 ZINC000192233507 398106715 /nfs/dbraw/zinc/10/67/15/398106715.db2.gz DARUNPKLXIPJOK-NSHDSACASA-N 1 0 227.304 0.108 20 30 BCEDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1CC#CCOC ZINC000649809862 398115922 /nfs/dbraw/zinc/11/59/22/398115922.db2.gz LXGVTJHEAXZYRG-NEPJUHHUSA-N 1 0 211.305 0.729 20 30 BCEDRO CC[C@@H]1[C@H](CO)CC[N@@H+]1CC#CCOC ZINC000649809863 398116300 /nfs/dbraw/zinc/11/63/00/398116300.db2.gz LXGVTJHEAXZYRG-NWDGAFQWSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000231637290 398113352 /nfs/dbraw/zinc/11/33/52/398113352.db2.gz CHVDXTYEVROULF-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C=CCn1cc(C(=O)NCC2([NH+](C)C)CC2)nn1 ZINC000648932043 398123603 /nfs/dbraw/zinc/12/36/03/398123603.db2.gz BMFDJZZIKRHBRD-UHFFFAOYSA-N 1 0 249.318 0.288 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)[NH2+]C1CC1 ZINC000424204440 487575015 /nfs/dbraw/zinc/57/50/15/487575015.db2.gz DRLMRDMEBFCJMO-NHCYSSNCSA-N 1 0 238.331 0.834 20 30 BCEDRO C(CNC1=[NH+]CCCN1)C[C@H]1CCOC1 ZINC000401201114 322902460 /nfs/dbraw/zinc/90/24/60/322902460.db2.gz ONBGLEJQIZZPSX-JTQLQIEISA-N 1 0 211.309 0.742 20 30 BCEDRO C#CCCOc1ccc(C[NH2+]CC(=O)NC)cc1 ZINC000264978884 166150826 /nfs/dbraw/zinc/15/08/26/166150826.db2.gz SXHNQNYNYLLWGU-UHFFFAOYSA-N 1 0 246.310 0.924 20 30 BCEDRO C#CCN(C)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279310955 166157385 /nfs/dbraw/zinc/15/73/85/166157385.db2.gz NHPSRMHYTVXOFG-LLVKDONJSA-N 1 0 206.289 0.705 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000680464186 487599792 /nfs/dbraw/zinc/59/97/92/487599792.db2.gz XZVWYWGDRQSSOT-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCCC[NH2+][C@H](CO)c1cnn(C)c1 ZINC000275175444 166133244 /nfs/dbraw/zinc/13/32/44/166133244.db2.gz LWNXJDHFSGCGHP-LLVKDONJSA-N 1 0 207.277 0.457 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@@H](F)[C@H]([NH3+])C2)C1=O ZINC000662325457 409639433 /nfs/dbraw/zinc/63/94/33/409639433.db2.gz GMYLNIJTNCRUMF-GMTAPVOTSA-N 1 0 241.310 0.144 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2nccc(N)n2)CC1 ZINC000272039900 166137577 /nfs/dbraw/zinc/13/75/77/166137577.db2.gz QWFCSBWUXZYLPP-UHFFFAOYSA-N 1 0 245.330 0.200 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655245514 409700642 /nfs/dbraw/zinc/70/06/42/409700642.db2.gz NBUWBVMHPRNYSC-LOWVWBTDSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CC[C@@]1(C(=O)N2CC[C@H](OC)C2)CCC[NH2+]1 ZINC000662612157 409786584 /nfs/dbraw/zinc/78/65/84/409786584.db2.gz NFNOCTYGWWKVFQ-AAEUAGOBSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[C@]1(C(=O)NCCc2ncc[nH]2)CCC[NH2+]1 ZINC000662730230 409876371 /nfs/dbraw/zinc/87/63/71/409876371.db2.gz ADCRFANJBIZZHV-CYBMUJFWSA-N 1 0 248.330 0.767 20 30 BCEDRO C=CCN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H](C)COC ZINC000662854716 409955583 /nfs/dbraw/zinc/95/55/83/409955583.db2.gz NCYBGJNWJJOQMT-WYUUTHIRSA-N 1 0 238.331 0.501 20 30 BCEDRO C=CCN(C(=O)[C@H](N)CC[NH+](C)C)C1CC1 ZINC000653158903 410035507 /nfs/dbraw/zinc/03/55/07/410035507.db2.gz OXCLIUIFCADXGO-LLVKDONJSA-N 1 0 225.336 0.442 20 30 BCEDRO CNC(NCC(=O)N1CCc2ccccc21)=[NH+]C ZINC000076105747 410055446 /nfs/dbraw/zinc/05/54/46/410055446.db2.gz SBMFYDWSNZERIB-UHFFFAOYSA-N 1 0 246.314 0.371 20 30 BCEDRO N#CCC[N@@H+](C[C@H](O)Cn1cccn1)CC1CC1 ZINC000081514670 410076318 /nfs/dbraw/zinc/07/63/18/410076318.db2.gz ILXITSPXWKULLW-ZDUSSCGKSA-N 1 0 248.330 0.870 20 30 BCEDRO C=C[C@@H](C)NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000309069212 410216103 /nfs/dbraw/zinc/21/61/03/410216103.db2.gz BDEVIWZBZQHYKR-MWLCHTKSSA-N 1 0 212.293 0.303 20 30 BCEDRO C#CCN(CC#C)C(=O)/C=C/C[NH+](C)C ZINC000267632819 166161052 /nfs/dbraw/zinc/16/10/52/166161052.db2.gz HXIOVVQUJPOGNS-BQYQJAHWSA-N 1 0 204.273 0.199 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@H](C)O ZINC000159191446 410450309 /nfs/dbraw/zinc/45/03/09/410450309.db2.gz FHJUKXNJEOLGBA-SRVKXCTJSA-N 1 0 240.347 0.912 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@@H]1CCC[N@H+]1C ZINC000267691656 166162885 /nfs/dbraw/zinc/16/28/85/166162885.db2.gz RNLSTBJSIJKVKU-NSHDSACASA-N 1 0 204.273 0.176 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000174021748 166178094 /nfs/dbraw/zinc/17/80/94/166178094.db2.gz BRBHMVVLZBZQSA-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCNC(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000079879234 166179410 /nfs/dbraw/zinc/17/94/10/166179410.db2.gz XYUSLWXOTZXCGZ-NSHDSACASA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000268096166 166180116 /nfs/dbraw/zinc/18/01/16/166180116.db2.gz AVJWMTUDHKOAHU-MWLCHTKSSA-N 1 0 221.304 0.402 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]CCC(N)=O ZINC000036746874 166200086 /nfs/dbraw/zinc/20/00/86/166200086.db2.gz GENBVRHMODBXPA-UHFFFAOYSA-N 1 0 232.283 0.664 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000166528451 166211906 /nfs/dbraw/zinc/21/19/06/166211906.db2.gz RJWMDXQRJPYYPT-SSDOTTSWSA-N 1 0 208.286 0.958 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000274826892 166216368 /nfs/dbraw/zinc/21/63/68/166216368.db2.gz QZMOOJFOEXFAMO-QWRGUYRKSA-N 1 0 239.319 0.028 20 30 BCEDRO C=CCCC[N@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000357394258 166234337 /nfs/dbraw/zinc/23/43/37/166234337.db2.gz ZUUFCHDUWRUKCZ-VIFPVBQESA-N 1 0 218.322 0.315 20 30 BCEDRO C=CCCC[N@@H+]1CCN2C(=O)NC[C@H]2C1 ZINC000267666768 166235171 /nfs/dbraw/zinc/23/51/71/166235171.db2.gz NSLKYHYXPFLROV-JTQLQIEISA-N 1 0 209.293 0.662 20 30 BCEDRO C=CCCC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000270846746 166235296 /nfs/dbraw/zinc/23/52/96/166235296.db2.gz GYZHMILCDJGSDT-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000271635829 166263303 /nfs/dbraw/zinc/26/33/03/166263303.db2.gz ZATJYOOBOHPHID-MRVPVSSYSA-N 1 0 200.307 0.465 20 30 BCEDRO C=CCCOCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000226696517 166269698 /nfs/dbraw/zinc/26/96/98/166269698.db2.gz RTOKJSBITCFJSW-JTQLQIEISA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@H]1CC[NH2+]C1 ZINC000273016115 166273269 /nfs/dbraw/zinc/27/32/69/166273269.db2.gz KDJZAMRDPJYEBX-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@H](C)[NH2+]C ZINC000261540800 166273677 /nfs/dbraw/zinc/27/36/77/166273677.db2.gz FGDSOOABHPJDEO-UWVGGRQHSA-N 1 0 214.309 0.692 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCCC[NH3+] ZINC000237410092 166274379 /nfs/dbraw/zinc/27/43/79/166274379.db2.gz LVHUEGPXSJXOHT-SECBINFHSA-N 1 0 200.282 0.433 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)CC(=O)NC(C)C ZINC000268633941 166297229 /nfs/dbraw/zinc/29/72/29/166297229.db2.gz LCGJBLJOWKXBFR-LLVKDONJSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000268664128 166297896 /nfs/dbraw/zinc/29/78/96/166297896.db2.gz RVDYBVFJBBLASR-GHMZBOCLSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)CCCC(=O)NC ZINC000155309520 166298339 /nfs/dbraw/zinc/29/83/39/166298339.db2.gz SIZJHVCXIROOAI-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCc2n[nH]c(=O)cc2C1 ZINC000274887168 166303223 /nfs/dbraw/zinc/30/32/23/166303223.db2.gz OWYADFRRNNHHRJ-NSHDSACASA-N 1 0 249.314 0.455 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)NC ZINC000268597023 166304441 /nfs/dbraw/zinc/30/44/41/166304441.db2.gz WRFJYMCMYSWFJC-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@H]1C(N)=O ZINC000268646674 166304584 /nfs/dbraw/zinc/30/45/84/166304584.db2.gz OHDUJPKKRVZZNR-QWRGUYRKSA-N 1 0 226.320 0.653 20 30 BCEDRO C=CCN(C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261582803 166318483 /nfs/dbraw/zinc/31/84/83/166318483.db2.gz OSGNPWHFHMNYFY-JTQLQIEISA-N 1 0 212.293 0.385 20 30 BCEDRO C=CC[N@@H+](C)C[C@@](C)(O)C(=O)OCC ZINC000275182502 166321479 /nfs/dbraw/zinc/32/14/79/166321479.db2.gz NJWGKNUGXIASQA-SNVBAGLBSA-N 1 0 201.266 0.418 20 30 BCEDRO C=CCN(CC(F)(F)F)C(=O)[C@@H](C)[NH3+] ZINC000155415653 166327260 /nfs/dbraw/zinc/32/72/60/166327260.db2.gz YOCDPLFHOMOLHA-ZCFIWIBFSA-N 1 0 210.199 0.911 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261603848 166330041 /nfs/dbraw/zinc/33/00/41/166330041.db2.gz AIDYDTXKDVCTNV-LBPRGKRZSA-N 1 0 238.331 0.941 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@H+](CC)CCO ZINC000155759576 166330303 /nfs/dbraw/zinc/33/03/03/166330303.db2.gz WZBACWZQVHKMIR-LBPRGKRZSA-N 1 0 240.347 0.890 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H](C)[N@@H+]1CC[C@H](O)C1 ZINC000265206895 166330498 /nfs/dbraw/zinc/33/04/98/166330498.db2.gz KXSCWGLHROUNNG-RYUDHWBXSA-N 1 0 238.331 0.642 20 30 BCEDRO C=CC[N@@H+](CCC(=O)NC(=O)NC)C1CC1 ZINC000271347679 166339491 /nfs/dbraw/zinc/33/94/91/166339491.db2.gz CWKNZPUGUQJCDW-UHFFFAOYSA-N 1 0 225.292 0.483 20 30 BCEDRO C=CCN(CCc1ccco1)Cc1nc(=O)[nH][nH]1 ZINC000272257839 166343550 /nfs/dbraw/zinc/34/35/50/166343550.db2.gz JNDFADSIGVNZNN-UHFFFAOYSA-N 1 0 248.286 0.922 20 30 BCEDRO C=CC[N@@H+](C[C@@H](O)Cn1cccn1)C1CC1 ZINC000271476316 166343923 /nfs/dbraw/zinc/34/39/23/166343923.db2.gz RYFIHVKZIYGQTQ-GFCCVEGCSA-N 1 0 221.304 0.894 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cnn(CCOC)c1 ZINC000283812141 166349825 /nfs/dbraw/zinc/34/98/25/166349825.db2.gz OXHXGPOLZMMGDD-UHFFFAOYSA-N 1 0 237.307 0.120 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)Cn2cccn2)CC1 ZINC000171722251 166353761 /nfs/dbraw/zinc/35/37/61/166353761.db2.gz NMSDJJPUMCTJFA-UHFFFAOYSA-N 1 0 248.330 0.650 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000274001604 166359458 /nfs/dbraw/zinc/35/94/58/166359458.db2.gz NFWKCICEQOBDJQ-SNVBAGLBSA-N 1 0 209.293 0.708 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1[C@H](C)CCC[C@H]1CO ZINC000269699885 166367771 /nfs/dbraw/zinc/36/77/71/166367771.db2.gz LTPZSIWIPOUHJX-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCCC[C@H]1OC ZINC000275253344 166369619 /nfs/dbraw/zinc/36/96/19/166369619.db2.gz QNFWWCGBCHRUCM-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](COC)C1 ZINC000265749812 166382176 /nfs/dbraw/zinc/38/21/76/166382176.db2.gz FEPMFZYQFXUVOF-MNOVXSKESA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCO[C@H](COC)C1 ZINC000172884167 166382298 /nfs/dbraw/zinc/38/22/98/166382298.db2.gz AQERLNDCWAHKKK-MNOVXSKESA-N 1 0 242.319 0.024 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCC[N@H+](C)CC1 ZINC000267952408 166382706 /nfs/dbraw/zinc/38/27/06/166382706.db2.gz WVMLWZLEAFEWIM-LLVKDONJSA-N 1 0 225.336 0.315 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)CCCC(=O)NC ZINC000154763736 166387412 /nfs/dbraw/zinc/38/74/12/166387412.db2.gz NAYGZJSHUZKDEC-JTQLQIEISA-N 1 0 241.335 0.135 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCOC[C@H]1C ZINC000277942605 166388326 /nfs/dbraw/zinc/38/83/26/166388326.db2.gz RCRYREALZJJAEW-VWYCJHECSA-N 1 0 226.320 0.692 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(C)CCC[NH3+] ZINC000309504043 410955628 /nfs/dbraw/zinc/95/56/28/410955628.db2.gz VMLDTTPRYGLVRB-JTQLQIEISA-N 1 0 214.309 0.775 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+](C)C[C@@H]1COCCO1 ZINC000661611995 411053925 /nfs/dbraw/zinc/05/39/25/411053925.db2.gz NOZBZHBNQDPFDF-MNOVXSKESA-N 1 0 215.293 0.271 20 30 BCEDRO C=CCCOCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000390525471 411074922 /nfs/dbraw/zinc/07/49/22/411074922.db2.gz GQAYBLHPIATSEA-SNVBAGLBSA-N 1 0 212.293 0.433 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000591764627 411130275 /nfs/dbraw/zinc/13/02/75/411130275.db2.gz ILWSLFZGIGWQJH-NSHDSACASA-N 1 0 236.319 0.086 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CC1=CCCOC1 ZINC000661657755 411134258 /nfs/dbraw/zinc/13/42/58/411134258.db2.gz VKVKLCAUPZFAMJ-NSHDSACASA-N 1 0 238.331 0.956 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000659555733 411163593 /nfs/dbraw/zinc/16/35/93/411163593.db2.gz SRXUIBNMRGUJIT-GHMZBOCLSA-N 1 0 241.335 0.616 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](O)CN(C)CCOC ZINC000653636194 411153137 /nfs/dbraw/zinc/15/31/37/411153137.db2.gz VITZJEGJOOHXLN-LBPRGKRZSA-N 1 0 230.352 0.433 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)Cn1cncn1 ZINC000657936321 411173569 /nfs/dbraw/zinc/17/35/69/411173569.db2.gz FKMNKLGNSFIGDL-MNOVXSKESA-N 1 0 224.308 0.441 20 30 BCEDRO C=CCCNC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000659563612 411176172 /nfs/dbraw/zinc/17/61/72/411176172.db2.gz YHUYCDIBNYDHOK-UWVGGRQHSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000309618878 411185587 /nfs/dbraw/zinc/18/55/87/411185587.db2.gz CPPZMMRYPDFCIE-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCCCN(C)C(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000220244375 411196971 /nfs/dbraw/zinc/19/69/71/411196971.db2.gz UOGJTLJEHLCODV-MNOVXSKESA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCCCN(C)C(=O)C[C@@H]1COCC[NH2+]1 ZINC000220244786 411197225 /nfs/dbraw/zinc/19/72/25/411197225.db2.gz AHGMALVMNHKTCA-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C[C@@H](C)O)C1CC1 ZINC000653896287 411213015 /nfs/dbraw/zinc/21/30/15/411213015.db2.gz PDBZQAFXNPHPLV-SECBINFHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCCOCC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000309841098 411276650 /nfs/dbraw/zinc/27/66/50/411276650.db2.gz PDOGUFHVUWSXIG-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCOCCC[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000658210287 411294436 /nfs/dbraw/zinc/29/44/36/411294436.db2.gz PHVHTPNZYOOSFZ-NSHDSACASA-N 1 0 249.376 0.992 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H]2C[C@@H](O)C2(C)C)C1=O ZINC000653742265 411295496 /nfs/dbraw/zinc/29/54/96/411295496.db2.gz WJAVPENBLUCQSG-HBNTYKKESA-N 1 0 238.331 0.522 20 30 BCEDRO CC1(C)CC([NH2+]CCn2cnc(C#N)n2)C1 ZINC000309444707 167888311 /nfs/dbraw/zinc/88/83/11/167888311.db2.gz LBLCVOQGXAIEHG-UHFFFAOYSA-N 1 0 219.292 0.928 20 30 BCEDRO C=CCNC(=O)NCCN(C)CCC[NH+](C)C ZINC000656544030 411299193 /nfs/dbraw/zinc/29/91/93/411299193.db2.gz VTASTCZAARJNRZ-UHFFFAOYSA-N 1 0 242.367 0.355 20 30 BCEDRO C=CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000653477418 411331956 /nfs/dbraw/zinc/33/19/56/411331956.db2.gz MUWYUYBFDQJVTK-AOOOYVTPSA-N 1 0 211.309 0.812 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCn1cc(Cl)cn1 ZINC000662168692 411372649 /nfs/dbraw/zinc/37/26/49/411372649.db2.gz QWBODINLMBFCJC-SECBINFHSA-N 1 0 215.684 0.673 20 30 BCEDRO C=CCN(C(=O)[C@@H](C)C[NH3+])[C@H](C)COC ZINC000659338756 411365988 /nfs/dbraw/zinc/36/59/88/411365988.db2.gz AOIMDFOVRXAYAD-VHSXEESVSA-N 1 0 214.309 0.631 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCC(=O)N1CCCCC1 ZINC000662165890 411370299 /nfs/dbraw/zinc/37/02/99/411370299.db2.gz UXMRJDCHBKNGMD-LLVKDONJSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)COCc1ccco1 ZINC000662167759 411370416 /nfs/dbraw/zinc/37/04/16/411370416.db2.gz OTNVIYCTPFFSQB-MNOVXSKESA-N 1 0 241.287 0.294 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NCCC(C)C ZINC000662165771 411371018 /nfs/dbraw/zinc/37/10/18/411371018.db2.gz OENUPTKRGMMQFP-GHMZBOCLSA-N 1 0 228.336 0.674 20 30 BCEDRO C=C[C@H](CO)NCCC[NH+](CC)CC ZINC000662168789 411372032 /nfs/dbraw/zinc/37/20/32/411372032.db2.gz VAJNFXUDHIGCMY-LLVKDONJSA-N 1 0 200.326 0.855 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@H]([NH3+])COC(C)C ZINC000659272193 411385491 /nfs/dbraw/zinc/38/54/91/411385491.db2.gz XANIAJLZWGJQNG-NSHDSACASA-N 1 0 226.320 0.939 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CC[NH2+][C@H]1CC ZINC000659383234 411401041 /nfs/dbraw/zinc/40/10/41/411401041.db2.gz SCENVMIERMLKQQ-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000659359603 411402262 /nfs/dbraw/zinc/40/22/62/411402262.db2.gz VLFKMMYPEHMTHA-UWVGGRQHSA-N 1 0 214.309 0.679 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000657092276 411403806 /nfs/dbraw/zinc/40/38/06/411403806.db2.gz SCVWVRLEUJFFJA-JTQLQIEISA-N 1 0 234.365 0.822 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000659468760 411418144 /nfs/dbraw/zinc/41/81/44/411418144.db2.gz AUCREWQMZYICTA-JTQLQIEISA-N 1 0 229.324 0.486 20 30 BCEDRO C=CC[C@@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000121951468 411420496 /nfs/dbraw/zinc/42/04/96/411420496.db2.gz SUZLQQPFZSMURS-MRVPVSSYSA-N 1 0 244.316 0.981 20 30 BCEDRO C=C(C)CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405295775 411424446 /nfs/dbraw/zinc/42/44/46/411424446.db2.gz GOUDBXOBJGVSDV-NWDGAFQWSA-N 1 0 210.321 0.703 20 30 BCEDRO C=CCCNC(=O)NCC[NH2+]CCOC ZINC000659527893 411428986 /nfs/dbraw/zinc/42/89/86/411428986.db2.gz PJTVIWXKWXNGJO-UHFFFAOYSA-N 1 0 215.297 0.098 20 30 BCEDRO C=CCCNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000659543177 411433350 /nfs/dbraw/zinc/43/33/50/411433350.db2.gz SYOQZNOVFDZOQX-GFCCVEGCSA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000122711288 411435224 /nfs/dbraw/zinc/43/52/24/411435224.db2.gz KIDARYKEBBMHMG-MNOVXSKESA-N 1 0 225.336 0.348 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000659561889 411436072 /nfs/dbraw/zinc/43/60/72/411436072.db2.gz CCLSYWIWZKUGHU-QWRGUYRKSA-N 1 0 223.320 0.956 20 30 BCEDRO C=CCCNC(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000659563220 411436616 /nfs/dbraw/zinc/43/66/16/411436616.db2.gz SEIBQVBQXUJAFH-LLVKDONJSA-N 1 0 211.309 0.943 20 30 BCEDRO C=CCOCCCNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000659595185 411439384 /nfs/dbraw/zinc/43/93/84/411439384.db2.gz AJZRYPKDQLNAEZ-SNVBAGLBSA-N 1 0 227.308 0.322 20 30 BCEDRO C=CCOCCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000659596821 411439621 /nfs/dbraw/zinc/43/96/21/411439621.db2.gz LVDBSXFCVBIBLP-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H](CO)C(C)C)nn1 ZINC000653611010 411439804 /nfs/dbraw/zinc/43/98/04/411439804.db2.gz DLGOBKWGVHILGJ-GFCCVEGCSA-N 1 0 238.335 0.961 20 30 BCEDRO C=CCOCCNC(=O)N1CCC(C[NH3+])CC1 ZINC000659612329 411441307 /nfs/dbraw/zinc/44/13/07/411441307.db2.gz XCHSANFHQSFZRP-UHFFFAOYSA-N 1 0 241.335 0.569 20 30 BCEDRO C=C(C)CN(CC)C(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659752729 411449592 /nfs/dbraw/zinc/44/95/92/411449592.db2.gz NHHZZYHLAPBZCJ-SNVBAGLBSA-N 1 0 241.335 0.135 20 30 BCEDRO C=CC[NH+](CC=C)CCN1C(=O)CN(C)C1=O ZINC000659839483 411471803 /nfs/dbraw/zinc/47/18/03/411471803.db2.gz VRZGGUHAIBDSRF-UHFFFAOYSA-N 1 0 237.303 0.554 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@H](C)C[NH3+] ZINC000659525371 411483015 /nfs/dbraw/zinc/48/30/15/411483015.db2.gz FCGXVAMMMFYFQC-SNVBAGLBSA-N 1 0 229.324 0.473 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@@H](C)C[NH3+] ZINC000659525370 411483482 /nfs/dbraw/zinc/48/34/82/411483482.db2.gz FCGXVAMMMFYFQC-JTQLQIEISA-N 1 0 229.324 0.473 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000657429570 411507085 /nfs/dbraw/zinc/50/70/85/411507085.db2.gz RQBANSXSKLPTKR-VHSXEESVSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CO[C@@H](CC)C1 ZINC000657429571 411507264 /nfs/dbraw/zinc/50/72/64/411507264.db2.gz RQBANSXSKLPTKR-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@@H](CO)CC=C)nn1 ZINC000657437403 411510305 /nfs/dbraw/zinc/51/03/05/411510305.db2.gz ZCVHFIXGJFNYSA-LLVKDONJSA-N 1 0 236.319 0.881 20 30 BCEDRO C=CCCn1cc(C[NH2+]CCc2cn[nH]c2)nn1 ZINC000657471486 411522878 /nfs/dbraw/zinc/52/28/78/411522878.db2.gz WAWSKNWLZPBZAX-UHFFFAOYSA-N 1 0 246.318 0.910 20 30 BCEDRO CCOC(=O)c1cnn(CC[NH+](C)C)c1C#N ZINC000273528604 170304603 /nfs/dbraw/zinc/30/46/03/170304603.db2.gz YKICAKSKYHJOPU-UHFFFAOYSA-N 1 0 236.275 0.493 20 30 BCEDRO Cc1cc(NC(=O)[C@H]([NH3+])CCCC#N)n[nH]1 ZINC000565830639 411629670 /nfs/dbraw/zinc/62/96/70/411629670.db2.gz JNPIRJYNVDQMNC-MRVPVSSYSA-N 1 0 221.264 0.678 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000657791331 411597417 /nfs/dbraw/zinc/59/74/17/411597417.db2.gz FJPYNBNDIAJOSG-LLVKDONJSA-N 1 0 219.288 0.991 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc(N2CCCC2)nc1 ZINC000657791380 411597708 /nfs/dbraw/zinc/59/77/08/411597708.db2.gz YEASVJIRBYNLAE-GFCCVEGCSA-N 1 0 248.330 0.713 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000660722035 411618710 /nfs/dbraw/zinc/61/87/10/411618710.db2.gz DXVPYDPXLIDMOI-QNWHQSFQSA-N 1 0 241.331 0.971 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)Nc1cnccn1 ZINC000660723019 411619309 /nfs/dbraw/zinc/61/93/09/411619309.db2.gz SIDIAPMWHIFVAL-ZJUUUORDSA-N 1 0 248.286 0.348 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](COC)OC ZINC000660723528 411619363 /nfs/dbraw/zinc/61/93/63/411619363.db2.gz YNOMVODSKJUUMA-AXFHLTTASA-N 1 0 215.293 0.581 20 30 BCEDRO COCC#CC[N@H+](CCOCCO)C1CCC1 ZINC000661099272 411707170 /nfs/dbraw/zinc/70/71/70/411707170.db2.gz LQXGKQJNLCCGGV-UHFFFAOYSA-N 1 0 241.331 0.500 20 30 BCEDRO Cc1ccc(N[C@@H]2CCC[NH2+]C2)nc1C#N ZINC000573099007 411692606 /nfs/dbraw/zinc/69/26/06/411692606.db2.gz WQWOYEQIIBCLAT-SNVBAGLBSA-N 1 0 216.288 1.426 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1C[C@@H]2C[C@H](O)CC[C@@H]2C1 ZINC000661201283 411732379 /nfs/dbraw/zinc/73/23/79/411732379.db2.gz FDKQRAYDIBJRQC-GRYCIOLGSA-N 1 0 238.331 0.381 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)COCC)[C@@H](C)COC ZINC000661242596 411743447 /nfs/dbraw/zinc/74/34/47/411743447.db2.gz CUHRQPQVZPZISA-RYUDHWBXSA-N 1 0 231.336 0.907 20 30 BCEDRO CCc1[nH]nc(NC(=O)[C@H]([NH3+])CCCC#N)c1C ZINC000566179826 411757986 /nfs/dbraw/zinc/75/79/86/411757986.db2.gz YBNXWCBUVMZTMI-SECBINFHSA-N 1 0 249.318 1.240 20 30 BCEDRO C=CC[C@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000661380585 411761884 /nfs/dbraw/zinc/76/18/84/411761884.db2.gz OJUWZXGQZIKBMQ-NSHDSACASA-N 1 0 246.376 0.953 20 30 BCEDRO C=CC[C@@H]1CCC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000661380206 411762811 /nfs/dbraw/zinc/76/28/11/411762811.db2.gz CBYTYLMOFJKNBK-SNVBAGLBSA-N 1 0 236.319 0.897 20 30 BCEDRO CCc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)n[nH]1 ZINC000592058597 411763676 /nfs/dbraw/zinc/76/36/76/411763676.db2.gz HUTUNVRBFPISJK-VIFPVBQESA-N 1 0 235.291 0.932 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCC(O)(CO)CC1 ZINC000661617636 411817531 /nfs/dbraw/zinc/81/75/31/411817531.db2.gz AZZNCKFEHHFERQ-NSHDSACASA-N 1 0 229.320 0.133 20 30 BCEDRO C[C@@H]([NH3+])CNc1cc(C#N)nc(C2CC2)n1 ZINC000601980755 411820258 /nfs/dbraw/zinc/82/02/58/411820258.db2.gz OJQQIVMMFXIOGF-SSDOTTSWSA-N 1 0 217.276 0.985 20 30 BCEDRO C=CCNC(=O)C[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661620920 411821020 /nfs/dbraw/zinc/82/10/20/411821020.db2.gz BGMBYKDMJMZQLY-UWVGGRQHSA-N 1 0 226.320 0.237 20 30 BCEDRO C[C@@H](Nc1cc(C#N)cnn1)C1=CC[N@H+](C)CC1 ZINC000596186467 411828731 /nfs/dbraw/zinc/82/87/31/411828731.db2.gz KRLHXRHRSSNKGK-SNVBAGLBSA-N 1 0 243.314 1.411 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@@H]1Nc1ccc(C#N)cn1 ZINC000389727793 411837461 /nfs/dbraw/zinc/83/74/61/411837461.db2.gz MRFRTXLAYAPSDI-KOLCDFICSA-N 1 0 216.288 1.363 20 30 BCEDRO C#CCN[NH+]=C1CCCc2nc(N)ccc21 ZINC000491404485 411848970 /nfs/dbraw/zinc/84/89/70/411848970.db2.gz CEAXIKXDDZVKDO-UHFFFAOYSA-N 1 0 214.272 0.927 20 30 BCEDRO C=CCOCCCNc1cc[nH+]cc1C(N)=O ZINC000664388464 411937633 /nfs/dbraw/zinc/93/76/33/411937633.db2.gz OQLHBXUNTDQIJI-UHFFFAOYSA-N 1 0 235.287 0.607 20 30 BCEDRO C=C[C@H](CO)NCC[C@@H]1CCCC[N@H+]1C ZINC000662166298 411997230 /nfs/dbraw/zinc/99/72/30/411997230.db2.gz ZKTHXZQNDHVEJX-NEPJUHHUSA-N 1 0 212.337 0.997 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(CC(C)C)C1CC1 ZINC000662167070 411999789 /nfs/dbraw/zinc/99/97/89/411999789.db2.gz QWHNAYNNTKXMGQ-LLVKDONJSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N[C@H](C)CC ZINC000662165582 412014219 /nfs/dbraw/zinc/01/42/19/412014219.db2.gz JPZPZGDUZCQILE-OPRDCNLKSA-N 1 0 214.309 0.426 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCC(=O)NC1CCCC1 ZINC000662165358 412014340 /nfs/dbraw/zinc/01/43/40/412014340.db2.gz CYHXFANDQNDHNR-SNVBAGLBSA-N 1 0 226.320 0.572 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NCCC ZINC000662165227 412014839 /nfs/dbraw/zinc/01/48/39/412014839.db2.gz AREREDIPFSJTER-RKDXNWHRSA-N 1 0 200.282 0.038 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCc1cccs1 ZINC000662163787 412014864 /nfs/dbraw/zinc/01/48/64/412014864.db2.gz KJAYJBINILBEMM-SECBINFHSA-N 1 0 240.328 0.501 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NCC(C)C ZINC000662166160 412015049 /nfs/dbraw/zinc/01/50/49/412015049.db2.gz UDAZJGZROISZBU-NXEZZACHSA-N 1 0 214.309 0.284 20 30 BCEDRO C=C[C@H](CO)N[C@@H](C)c1cnc(C)cn1 ZINC000662168348 412015841 /nfs/dbraw/zinc/01/58/41/412015841.db2.gz CBPADLNLHIGRCX-VHSXEESVSA-N 1 0 207.277 0.983 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCCCS(=O)(=O)CC ZINC000662168645 412017981 /nfs/dbraw/zinc/01/79/81/412017981.db2.gz OMEWMSZDZFKSFF-LLVKDONJSA-N 1 0 249.376 0.728 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662040844 411958623 /nfs/dbraw/zinc/95/86/23/411958623.db2.gz SGMZAVCVSRLILE-MNOVXSKESA-N 1 0 224.304 0.257 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662040847 411958641 /nfs/dbraw/zinc/95/86/41/411958641.db2.gz SGMZAVCVSRLILE-WDEREUQCSA-N 1 0 224.304 0.257 20 30 BCEDRO C#CC[N@H+](C)CCCNc1nnc(C)c(C)n1 ZINC000383081511 412042364 /nfs/dbraw/zinc/04/23/64/412042364.db2.gz UEPDMQALVSJORM-UHFFFAOYSA-N 1 0 233.319 0.855 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ncc(C#C)cn1 ZINC000491769007 412043103 /nfs/dbraw/zinc/04/31/03/412043103.db2.gz MBNMNNLNFSRARN-UHFFFAOYSA-N 1 0 228.299 0.825 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000354717729 171162190 /nfs/dbraw/zinc/16/21/90/171162190.db2.gz ZAJWLKIMNALLAA-NWDGAFQWSA-N 1 0 239.319 0.109 20 30 BCEDRO C=C(CC)CNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000665063699 412077742 /nfs/dbraw/zinc/07/77/42/412077742.db2.gz PLQVZFDWQKDNTI-QWRGUYRKSA-N 1 0 241.335 0.269 20 30 BCEDRO C=CC[C@H](CO)Nc1nc(C)nc(N(C)C)n1 ZINC000358510911 412138858 /nfs/dbraw/zinc/13/88/58/412138858.db2.gz XJZUVKPDICWIQF-SECBINFHSA-N 1 0 237.307 0.595 20 30 BCEDRO C=CCNC(=O)c1ccc(NCCCC[NH3+])nc1 ZINC000420245217 412128055 /nfs/dbraw/zinc/12/80/55/412128055.db2.gz ZCTIHMBVCKKXQJ-UHFFFAOYSA-N 1 0 248.330 1.148 20 30 BCEDRO C=CCCCN(C)C(=O)CN1CC[NH2+]CC1 ZINC000220249432 412130802 /nfs/dbraw/zinc/13/08/02/412130802.db2.gz WGCUGVZJJUPGMN-UHFFFAOYSA-N 1 0 225.336 0.316 20 30 BCEDRO C=CC[C@@]1(C(=O)N2CCO[C@H](C)C2)CCC[NH2+]1 ZINC000662458850 412181968 /nfs/dbraw/zinc/18/19/68/412181968.db2.gz SARMUUFNHNZAQV-YPMHNXCESA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[C@@]1(C(=O)NCC[C@@H](O)CC)CCC[NH2+]1 ZINC000662554948 412214852 /nfs/dbraw/zinc/21/48/52/412214852.db2.gz DPIGSWJBCNLQOO-AAEUAGOBSA-N 1 0 240.347 0.962 20 30 BCEDRO C=CC[C@@]1(C(=O)NCc2ccnn2C)CCC[NH2+]1 ZINC000662493100 412194103 /nfs/dbraw/zinc/19/41/03/412194103.db2.gz FGFLGRQNTVMDEO-ZDUSSCGKSA-N 1 0 248.330 0.735 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)Nc1ccc(C#N)c(N)n1 ZINC000596014056 412215380 /nfs/dbraw/zinc/21/53/80/412215380.db2.gz LQNXFVYJMIAJHN-BQBZGAKWSA-N 1 0 205.265 0.683 20 30 BCEDRO C=CC[C@]1(C(=O)NCc2cn[nH]n2)CCC[NH2+]1 ZINC000662541937 412210273 /nfs/dbraw/zinc/21/02/73/412210273.db2.gz KRBSROZOYGFSFU-LLVKDONJSA-N 1 0 235.291 0.119 20 30 BCEDRO C[C@@H]1C[C@H](Nc2ccc(C#N)c(N)n2)CC[NH2+]1 ZINC000596015747 412158994 /nfs/dbraw/zinc/15/89/94/412158994.db2.gz HWLBLHFQNDQQOX-PSASIEDQSA-N 1 0 231.303 1.088 20 30 BCEDRO C[NH+](C)CCNc1ncc2c(c1C#N)CCC2 ZINC000425203633 412161745 /nfs/dbraw/zinc/16/17/45/412161745.db2.gz SDXHBINYZBDRIF-UHFFFAOYSA-N 1 0 230.315 1.415 20 30 BCEDRO C[NH+](C)CCNc1nc2c(cc1C#N)COCC2 ZINC000450208393 412162096 /nfs/dbraw/zinc/16/20/96/412162096.db2.gz MLJLZWXSRDYNIA-UHFFFAOYSA-N 1 0 246.314 0.999 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000665235450 412174675 /nfs/dbraw/zinc/17/46/75/412174675.db2.gz FZABRSHDDHZJFO-LLVKDONJSA-N 1 0 234.303 0.552 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000662662679 412262780 /nfs/dbraw/zinc/26/27/80/412262780.db2.gz BWYSYPTYHJDDEO-WCQYABFASA-N 1 0 238.331 0.695 20 30 BCEDRO C=CCOCCCNC(=O)C1CC[NH2+]CC1 ZINC000662662734 412262785 /nfs/dbraw/zinc/26/27/85/412262785.db2.gz CTMZLODLASDXBH-UHFFFAOYSA-N 1 0 226.320 0.695 20 30 BCEDRO C=CCOCCCNC(=O)[C@H](CC)[NH2+]C ZINC000662664151 412263659 /nfs/dbraw/zinc/26/36/59/412263659.db2.gz PGYJPMHRWOPDBD-JTQLQIEISA-N 1 0 214.309 0.693 20 30 BCEDRO C[C@H]1C[C@@H](Nc2ccc(C#N)c(N)n2)CC[NH2+]1 ZINC000596015754 412268290 /nfs/dbraw/zinc/26/82/90/412268290.db2.gz HWLBLHFQNDQQOX-WPRPVWTQSA-N 1 0 231.303 1.088 20 30 BCEDRO N#Cc1ccc(NCC[NH+]2CCCCC2)nc1N ZINC000566477639 412272041 /nfs/dbraw/zinc/27/20/41/412272041.db2.gz BCZJFJHXSUOHKT-UHFFFAOYSA-N 1 0 245.330 1.433 20 30 BCEDRO C[NH2+]C1(CNc2ccc(C#N)nn2)CCC1 ZINC000598635259 412289140 /nfs/dbraw/zinc/28/91/40/412289140.db2.gz WOSDYUPSFDNSDB-UHFFFAOYSA-N 1 0 217.276 0.902 20 30 BCEDRO N#Cc1cnnc(NCC23CCC[NH+]2CCC3)c1 ZINC000596217657 412278156 /nfs/dbraw/zinc/27/81/56/412278156.db2.gz WFTYRDVJXSQISW-UHFFFAOYSA-N 1 0 243.314 1.389 20 30 BCEDRO Cc1[nH]nc(NC(=O)[C@@H](C(C)C)[NH+](C)C)c1C#N ZINC000357251165 412281137 /nfs/dbraw/zinc/28/11/37/412281137.db2.gz ZOSQWHFYAQUOAO-SNVBAGLBSA-N 1 0 249.318 1.115 20 30 BCEDRO C=C[C@H](O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000665279034 412223122 /nfs/dbraw/zinc/22/31/22/412223122.db2.gz VFLXULPYVYOJHO-NSHDSACASA-N 1 0 240.347 0.914 20 30 BCEDRO C[NH+]1CCC(Nc2ccc(C#N)c(N)n2)CC1 ZINC000572028222 412246825 /nfs/dbraw/zinc/24/68/25/412246825.db2.gz MQOYGLVLFHUPTA-UHFFFAOYSA-N 1 0 231.303 1.042 20 30 BCEDRO CC[C@H]1CC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000336742765 171648857 /nfs/dbraw/zinc/64/88/57/171648857.db2.gz SMCGJODHJVFHHJ-VHSXEESVSA-N 1 0 219.292 0.928 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)[C@@H]1CC12CC[NH2+]CC2 ZINC000564935813 412250884 /nfs/dbraw/zinc/25/08/84/412250884.db2.gz CAOCWHBEPSLODA-VIFPVBQESA-N 1 0 245.286 0.610 20 30 BCEDRO N#Cc1cc(NCC[NH+]2CCSCC2)ncn1 ZINC000383571632 412251707 /nfs/dbraw/zinc/25/17/07/412251707.db2.gz CKSSIBBPDWJSMY-UHFFFAOYSA-N 1 0 249.343 0.809 20 30 BCEDRO C=CC[C@@]1(C(=O)Nc2nnc(C)n2C)CCC[NH2+]1 ZINC000662808186 412307830 /nfs/dbraw/zinc/30/78/30/412307830.db2.gz RLWQXTGVIWFVQJ-LBPRGKRZSA-N 1 0 249.318 0.760 20 30 BCEDRO C=CCN(C(=O)[C@@H]([NH3+])CC)[C@@H](C)COC ZINC000662853001 412323206 /nfs/dbraw/zinc/32/32/06/412323206.db2.gz BMZWLWLXMPUQDG-UWVGGRQHSA-N 1 0 214.309 0.773 20 30 BCEDRO C=CCN(C(=O)CC1([NH3+])CC1)[C@H](C)COC ZINC000662855975 412325230 /nfs/dbraw/zinc/32/52/30/412325230.db2.gz XOBWACRLCARVII-SNVBAGLBSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCN(C(=O)CC[NH2+]C)[C@H](C)COC ZINC000662855411 412325990 /nfs/dbraw/zinc/32/59/90/412325990.db2.gz SLTXQSIOPZYPSH-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C=CCC1(NC(=O)[C@@H](C)C[NH3+])CCOCC1 ZINC000662876007 412333764 /nfs/dbraw/zinc/33/37/64/412333764.db2.gz ZHCDNGOXTLUQRA-JTQLQIEISA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCC1(NC(=O)COCC[NH3+])CCCC1 ZINC000662888830 412336539 /nfs/dbraw/zinc/33/65/39/412336539.db2.gz NGHLQTWHFLKCGD-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO CCCC[N@H+](C)CCNc1cc(C#N)ncn1 ZINC000565811901 412341140 /nfs/dbraw/zinc/34/11/40/412341140.db2.gz SFDNCPRGVCOFQG-UHFFFAOYSA-N 1 0 233.319 1.492 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CCC[NH2+]CC1 ZINC000662921424 412346215 /nfs/dbraw/zinc/34/62/15/412346215.db2.gz NOYABUPCRKPXQJ-NSHDSACASA-N 1 0 226.320 0.695 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC(C)(C)C[NH+](C)C ZINC000665529563 412348564 /nfs/dbraw/zinc/34/85/64/412348564.db2.gz OKMNLFKMSXRJGG-LBPRGKRZSA-N 1 0 228.336 0.627 20 30 BCEDRO C=CCCCN(C)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662936270 412349958 /nfs/dbraw/zinc/34/99/58/412349958.db2.gz DHJFUUIVGGCCOO-UHFFFAOYSA-N 1 0 241.335 0.218 20 30 BCEDRO CCC[N@H+](CC)CCNc1cc(C#N)ncn1 ZINC000383674976 412353102 /nfs/dbraw/zinc/35/31/02/412353102.db2.gz PDMORUUZNHNKOS-UHFFFAOYSA-N 1 0 233.319 1.492 20 30 BCEDRO CCC[N@@H+]1CC[C@@H](CNc2cc(C#N)cnn2)C1 ZINC000596090472 412354324 /nfs/dbraw/zinc/35/43/24/412354324.db2.gz VUOQFLIKPDOQAU-NSHDSACASA-N 1 0 245.330 1.492 20 30 BCEDRO COCCC[N@H+](C)CCNc1cc(C#N)ncn1 ZINC000559501909 412357875 /nfs/dbraw/zinc/35/78/75/412357875.db2.gz ZPBISELFYUBWBN-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@H](C)c2nc[nH]n2)CCC[NH2+]1 ZINC000662752136 412291615 /nfs/dbraw/zinc/29/16/15/412291615.db2.gz HOCLHGLTKVPGLN-BXKDBHETSA-N 1 0 249.318 0.680 20 30 BCEDRO CN(C)C(=O)CC[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189587906 172360314 /nfs/dbraw/zinc/36/03/14/172360314.db2.gz JTOZNIQEBVTHTP-UHFFFAOYSA-N 1 0 234.303 0.465 20 30 BCEDRO CN(C)C(=O)CC[NH2+]Cc1ccc(C#N)o1 ZINC000135483961 172360365 /nfs/dbraw/zinc/36/03/65/172360365.db2.gz HMFCRLVFEMRREF-UHFFFAOYSA-N 1 0 221.260 0.719 20 30 BCEDRO CN(C)C(=O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189580723 172369649 /nfs/dbraw/zinc/36/96/49/172369649.db2.gz LLYWASOETIPJNK-UHFFFAOYSA-N 1 0 220.276 0.075 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000193251904 173031987 /nfs/dbraw/zinc/03/19/87/173031987.db2.gz UZSNUFMRFWDLRJ-GFCCVEGCSA-N 1 0 244.298 0.777 20 30 BCEDRO CN1CC[NH+]=C1NCCNC(=O)c1ccccc1 ZINC000262688453 173096250 /nfs/dbraw/zinc/09/62/50/173096250.db2.gz ZHZBTIYRFLOMKB-UHFFFAOYSA-N 1 0 246.314 0.307 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3ccnc(C#N)c3)C[C@H]21 ZINC000329363196 173104054 /nfs/dbraw/zinc/10/40/54/173104054.db2.gz HNMWEYFIVHYESD-CHWSQXEVSA-N 1 0 244.298 0.472 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3ncccc3C#N)C[C@H]21 ZINC000301673907 173110106 /nfs/dbraw/zinc/11/01/06/173110106.db2.gz RMGWMZKOPWRJAZ-NEPJUHHUSA-N 1 0 244.298 0.472 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)o2)C1 ZINC000335072344 173114478 /nfs/dbraw/zinc/11/44/78/173114478.db2.gz XCSFIVLTXJSKGL-VIFPVBQESA-N 1 0 233.271 0.833 20 30 BCEDRO C[N@@H+]1CC[C@@](O)(CNCc2ccc(C#N)cc2)C1 ZINC000358134495 173137252 /nfs/dbraw/zinc/13/72/52/173137252.db2.gz JKNDTIXFBJDDRS-CQSZACIVSA-N 1 0 245.326 0.714 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000336389057 173141559 /nfs/dbraw/zinc/14/15/59/173141559.db2.gz AZUDMKXZNIKPPU-JTQLQIEISA-N 1 0 223.320 0.946 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccnc(C#N)c2)C1 ZINC000192822905 173146360 /nfs/dbraw/zinc/14/63/60/173146360.db2.gz VAQVTGDDXPJKDR-SNVBAGLBSA-N 1 0 244.298 0.635 20 30 BCEDRO CN1C[C@H]([NH2+]Cc2ccc(C#N)cc2)CC1=O ZINC000098009393 173195157 /nfs/dbraw/zinc/19/51/57/173195157.db2.gz XPXJQKFIPJXRNP-GFCCVEGCSA-N 1 0 229.283 0.879 20 30 BCEDRO CNC(=O)CC[N@H+](C)Cc1ccc(C#N)o1 ZINC000179409411 173249556 /nfs/dbraw/zinc/24/95/56/173249556.db2.gz VTUKVBARIYLLOP-UHFFFAOYSA-N 1 0 221.260 0.719 20 30 BCEDRO CNC(=O)C[NH2+][C@H](C)c1ccc(C#N)cc1 ZINC000037224858 173278256 /nfs/dbraw/zinc/27/82/56/173278256.db2.gz RJYCAHWXFFHCCS-SECBINFHSA-N 1 0 217.272 0.955 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1ncccc1C#N ZINC000265225760 174521668 /nfs/dbraw/zinc/52/16/68/174521668.db2.gz OIZCSWAJDQGABN-NSHDSACASA-N 1 0 220.276 0.729 20 30 BCEDRO C[C@@H]1CC[C@H](C(N)=O)C[N@@H+]1CCCC#N ZINC000042428681 176222049 /nfs/dbraw/zinc/22/20/49/176222049.db2.gz VSRUVMSWMIXDNA-ZJUUUORDSA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@H](CNC(=O)c1cc(C#N)ccn1)[NH+](C)C ZINC000287391647 176676216 /nfs/dbraw/zinc/67/62/16/176676216.db2.gz SGBXUVUQBYPZSD-SECBINFHSA-N 1 0 232.287 0.633 20 30 BCEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cnc(C#N)cn1 ZINC000408053582 177277383 /nfs/dbraw/zinc/27/73/83/177277383.db2.gz HQGDWNKUYXYSJI-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@H]1CN(c2nccc(C#N)n2)C[C@H]1[NH+](C)C ZINC000297592304 177277916 /nfs/dbraw/zinc/27/79/16/177277916.db2.gz UGWYBAJFXIYIGP-GXSJLCMTSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@H]1CN(c2nccnc2C#N)C[C@H]1[NH+](C)C ZINC000251899806 177279262 /nfs/dbraw/zinc/27/92/62/177279262.db2.gz WHIZYMNKUGAHLP-GXSJLCMTSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@H]1COCC[C@@H]1[NH2+]CCOCCC#N ZINC000339126996 177295133 /nfs/dbraw/zinc/29/51/33/177295133.db2.gz OZJKIVTXDBEWRX-QWRGUYRKSA-N 1 0 212.293 0.931 20 30 BCEDRO C[C@H]1COCC[C@H]1[NH2+]CCOCCC#N ZINC000339126997 177296347 /nfs/dbraw/zinc/29/63/47/177296347.db2.gz OZJKIVTXDBEWRX-WDEREUQCSA-N 1 0 212.293 0.931 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)N[C@@]1(C#N)CC1(C)C ZINC000493157692 226135778 /nfs/dbraw/zinc/13/57/78/226135778.db2.gz OPGUOFAXSSIQTF-FOQNGQEVSA-N 1 0 221.304 0.913 20 30 BCEDRO N#CCN1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000400967345 226352450 /nfs/dbraw/zinc/35/24/50/226352450.db2.gz HYGPSOZSVLEJHX-LBPRGKRZSA-N 1 0 223.320 0.554 20 30 BCEDRO C[C@H](CNc1cncc(C#N)n1)C[NH+](C)C ZINC000401325874 226355144 /nfs/dbraw/zinc/35/51/44/226355144.db2.gz KQFXCXKWEKOPHG-SECBINFHSA-N 1 0 219.292 0.958 20 30 BCEDRO N#Cc1cncc(N2CCC[C@@H](CC[NH3+])C2)n1 ZINC000401523319 487654644 /nfs/dbraw/zinc/65/46/44/487654644.db2.gz RYAKULUOXWUQDZ-JTQLQIEISA-N 1 0 231.303 0.913 20 30 BCEDRO C#CCN(C)[C@H](C)C(=O)N1CCCCC1 ZINC000298397258 487675367 /nfs/dbraw/zinc/67/53/67/487675367.db2.gz DWOQVGQQFYDGFC-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)COC)CC1 ZINC000061045429 322941703 /nfs/dbraw/zinc/94/17/03/322941703.db2.gz TYRMYFGSZOZINT-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(C)nn1 ZINC000396440362 262804615 /nfs/dbraw/zinc/80/46/15/262804615.db2.gz KYXAPVHFZHLFJN-UHFFFAOYSA-N 1 0 246.314 0.470 20 30 BCEDRO CC1([NH+]2CCOCC2)CCN(CC#N)CC1 ZINC000527535428 262863080 /nfs/dbraw/zinc/86/30/80/262863080.db2.gz LYDGXPYXKUJYKO-UHFFFAOYSA-N 1 0 223.320 0.697 20 30 BCEDRO C=CCCCC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528599258 262961635 /nfs/dbraw/zinc/96/16/35/262961635.db2.gz PEDHUQFOGBFAIB-RYUDHWBXSA-N 1 0 213.321 0.875 20 30 BCEDRO C[NH+]1CCC(Nc2cc(C#N)ncn2)CC1 ZINC000258831309 266584354 /nfs/dbraw/zinc/58/43/54/266584354.db2.gz OHNATEDPHNCWAR-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000682039851 487719970 /nfs/dbraw/zinc/71/99/70/487719970.db2.gz XPWLVQGYJBMSCB-VXGBXAGGSA-N 1 0 229.320 0.397 20 30 BCEDRO C=CCOCC[NH2+][C@@H](CC)Cn1cncn1 ZINC000309590323 487720301 /nfs/dbraw/zinc/72/03/01/487720301.db2.gz UOMVQLJSXOULQW-NSHDSACASA-N 1 0 224.308 0.849 20 30 BCEDRO C=C[C@H](C)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000308894482 487723611 /nfs/dbraw/zinc/72/36/11/487723611.db2.gz YYKUHIUPJYRDFV-VIFPVBQESA-N 1 0 212.293 0.446 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000668423050 487729539 /nfs/dbraw/zinc/72/95/39/487729539.db2.gz NLHBCLRSFCZMEY-NWDGAFQWSA-N 1 0 238.331 0.620 20 30 BCEDRO C#CCCC[N@H+]1CCOC[C@H]1C[C@@H](C)O ZINC000767032507 585512942 /nfs/dbraw/zinc/51/29/42/585512942.db2.gz XYBRVGMODHICIH-VXGBXAGGSA-N 1 0 211.305 0.872 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@H]1C[NH+](C)C ZINC000668012510 487796420 /nfs/dbraw/zinc/79/64/20/487796420.db2.gz DARBHCZRJGWQES-UWVGGRQHSA-N 1 0 212.293 0.086 20 30 BCEDRO C[C@@H]1C[C@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591766445 487798366 /nfs/dbraw/zinc/79/83/66/487798366.db2.gz FKQRXTBFKZJWGV-OUAUKWLOSA-N 1 0 211.309 0.191 20 30 BCEDRO N#CC[C@]1(O)CC[N@@H+](CCC2(O)CCC2)C1 ZINC000592153335 487807561 /nfs/dbraw/zinc/80/75/61/487807561.db2.gz LYPSBQHQYIWCNO-LBPRGKRZSA-N 1 0 224.304 0.642 20 30 BCEDRO CC[C@H](C[N@@H+]1CC[C@](O)(CC#N)C1)OC ZINC000592153234 487807702 /nfs/dbraw/zinc/80/77/02/487807702.db2.gz LHTVKDXSVNRYIU-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C[NH2+]CCCn1nc(C)c(C)c(C#N)c1=O ZINC000569336966 322943394 /nfs/dbraw/zinc/94/33/94/322943394.db2.gz VIICGPMYWCSHBB-UHFFFAOYSA-N 1 0 220.276 0.341 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569337736 322943578 /nfs/dbraw/zinc/94/35/78/322943578.db2.gz RHOGBMWRIWLSBE-GUBZILKMSA-N 1 0 226.324 0.913 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000681606551 487824465 /nfs/dbraw/zinc/82/44/65/487824465.db2.gz QQRMBOOLTXZLCK-WDEREUQCSA-N 1 0 222.292 0.462 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000494925981 526698165 /nfs/dbraw/zinc/69/81/65/526698165.db2.gz ZHBRQGOUPVFZMO-QWRGUYRKSA-N 1 0 224.304 0.399 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@@H](C)C[NH2+]C ZINC000491693353 527202541 /nfs/dbraw/zinc/20/25/41/527202541.db2.gz CRDOGPOWWYKKMK-VHSXEESVSA-N 1 0 211.309 0.505 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000666527833 487828009 /nfs/dbraw/zinc/82/80/09/487828009.db2.gz DPWIJEFWGQPIGO-GFCCVEGCSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@@H](O)C(=O)OCCC[NH+](CC)CC ZINC000814550209 586624816 /nfs/dbraw/zinc/62/48/16/586624816.db2.gz QMHMDEBQWUYPMY-SNVBAGLBSA-N 1 0 215.293 0.808 20 30 BCEDRO C=CCONC(=O)NCC[NH+](CC)CC ZINC000834916835 587770740 /nfs/dbraw/zinc/77/07/40/587770740.db2.gz NIXFJOXJHYJROW-UHFFFAOYSA-N 1 0 215.297 0.745 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655510087 487838688 /nfs/dbraw/zinc/83/86/88/487838688.db2.gz LVFZAMYEWBVPCE-LURJTMIESA-N 1 0 226.198 0.195 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCN(OC)CC1 ZINC000846977491 588299933 /nfs/dbraw/zinc/29/99/33/588299933.db2.gz RSUHXSBPKVAYFT-NSHDSACASA-N 1 0 214.309 0.493 20 30 BCEDRO C=CCOCC[N@@H+](C)CCN(C)C(=O)OC ZINC000852568990 588691349 /nfs/dbraw/zinc/69/13/49/588691349.db2.gz XPNPJZYGNVTLNY-UHFFFAOYSA-N 1 0 230.308 0.819 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242778 590302449 /nfs/dbraw/zinc/30/24/49/590302449.db2.gz ZABMVASDHYVNCU-AOOOYVTPSA-N 1 0 208.305 0.889 20 30 BCEDRO C=CCNC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000668166538 487858843 /nfs/dbraw/zinc/85/88/43/487858843.db2.gz YKNOOEVZJCKGOM-SNVBAGLBSA-N 1 0 211.309 0.812 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682037310 487886023 /nfs/dbraw/zinc/88/60/23/487886023.db2.gz CGLBSZNQASPMNG-LBPRGKRZSA-N 1 0 242.363 0.312 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](OCCOC)C1 ZINC000682037507 487887668 /nfs/dbraw/zinc/88/76/68/487887668.db2.gz FXTGJCOCPKGTNF-NWDGAFQWSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCNC(=O)[C@H]([NH3+])c1cccc(OC)c1 ZINC000083350449 487905731 /nfs/dbraw/zinc/90/57/31/487905731.db2.gz SBBZIUSIGWUQSS-LLVKDONJSA-N 1 0 220.272 0.997 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661700774 487907335 /nfs/dbraw/zinc/90/73/35/487907335.db2.gz KMLMTIHXMRXUBX-DMDPSCGWSA-N 1 0 238.331 0.645 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H](C)O[C@H](COC)C1 ZINC000682221870 487929621 /nfs/dbraw/zinc/92/96/21/487929621.db2.gz RDJJTLZRXYPTQM-WOPDTQHZSA-N 1 0 229.320 0.659 20 30 BCEDRO CC[C@]1(CO)CCC[N@@H+]1CC#CCOC ZINC000682222280 487929353 /nfs/dbraw/zinc/92/93/53/487929353.db2.gz NJHWTXYGPXZQSR-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000682256536 487935923 /nfs/dbraw/zinc/93/59/23/487935923.db2.gz HNPZUBDMQQKNTP-GHMZBOCLSA-N 1 0 246.376 0.965 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667181672 487955239 /nfs/dbraw/zinc/95/52/39/487955239.db2.gz IRILXPYYRHESAG-BXKDBHETSA-N 1 0 224.304 0.276 20 30 BCEDRO N#Cc1ccc2c(c1)[C@@H]([NH2+][C@@H]1COC[C@H]1O)CC2 ZINC000560351851 322986062 /nfs/dbraw/zinc/98/60/62/322986062.db2.gz JEPHLSNQBMGTKO-BFHYXJOUSA-N 1 0 244.294 0.895 20 30 BCEDRO C[C@@H]1C[C@@H](Nc2ccnc(C#N)n2)C[N@@H+]1C1CC1 ZINC000566483798 323001508 /nfs/dbraw/zinc/00/15/08/323001508.db2.gz WWHPZAGJTMIADW-NXEZZACHSA-N 1 0 243.314 0.807 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@@H](C[NH+](C)C)C1 ZINC000246366485 323008693 /nfs/dbraw/zinc/00/86/93/323008693.db2.gz LJVJBSWKBWTVMR-RYUDHWBXSA-N 1 0 237.347 0.008 20 30 BCEDRO N#CCC1CC[NH+](CCN2CCOCC2)CC1 ZINC000259233682 323013770 /nfs/dbraw/zinc/01/37/70/323013770.db2.gz PHXQHENTDMPTTC-UHFFFAOYSA-N 1 0 237.347 0.944 20 30 BCEDRO CC[C@@H](CC#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000259924663 323021343 /nfs/dbraw/zinc/02/13/43/323021343.db2.gz MFHFMGUIHGALFG-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCCCC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000562538772 323023760 /nfs/dbraw/zinc/02/37/60/323023760.db2.gz QHEXNJAXMXNQNU-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO CO[C@H](C)C[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000572722171 323036604 /nfs/dbraw/zinc/03/66/04/323036604.db2.gz SDBVXZDBQQWLFP-SECBINFHSA-N 1 0 245.286 0.725 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000569808786 323041252 /nfs/dbraw/zinc/04/12/52/323041252.db2.gz NDYNZRUUOQFCKD-KXNHARMFSA-N 1 0 238.331 0.692 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)NS(=O)(=O)c1ccc(C#N)o1 ZINC000570108479 323050276 /nfs/dbraw/zinc/05/02/76/323050276.db2.gz YTKSUWMYTBWCSC-BQBZGAKWSA-N 1 0 243.288 0.165 20 30 BCEDRO COCC[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000570155335 323051233 /nfs/dbraw/zinc/05/12/33/323051233.db2.gz JWAVXVTWNVPACC-VXGBXAGGSA-N 1 0 243.351 0.207 20 30 BCEDRO C=CCCCC[NH2+]CCC(=O)NC(N)=O ZINC000570447182 323059818 /nfs/dbraw/zinc/05/98/18/323059818.db2.gz VVETVLKRYOQMEG-UHFFFAOYSA-N 1 0 213.281 0.517 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000570697231 323067700 /nfs/dbraw/zinc/06/77/00/323067700.db2.gz ZXPPWELLPYUIIM-WDEREUQCSA-N 1 0 223.320 0.993 20 30 BCEDRO Cc1nc(C(=O)N2CCC[NH2+]CC2)ccc1C#N ZINC000570937389 323074870 /nfs/dbraw/zinc/07/48/70/323074870.db2.gz PLXZQRZOELSJHS-UHFFFAOYSA-N 1 0 244.298 0.697 20 30 BCEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000562999835 323079054 /nfs/dbraw/zinc/07/90/54/323079054.db2.gz GONRBGUROKCPEY-RWMBFGLXSA-N 1 0 248.330 0.916 20 30 BCEDRO N#CC[C@@H]1CC[C@H]([NH2+]C[C@H](O)Cn2cccn2)C1 ZINC000562999834 323079057 /nfs/dbraw/zinc/07/90/57/323079057.db2.gz GONRBGUROKCPEY-AVGNSLFASA-N 1 0 248.330 0.916 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1[C@@H]2CCC[C@@H]21 ZINC000563002664 323079334 /nfs/dbraw/zinc/07/93/34/323079334.db2.gz HVEQXUSKAMUUOS-NDBYEHHHSA-N 1 0 237.347 0.581 20 30 BCEDRO COCCOC[C@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000563008414 323079667 /nfs/dbraw/zinc/07/96/67/323079667.db2.gz YFKHNYQMBSDJQN-LLVKDONJSA-N 1 0 242.319 0.294 20 30 BCEDRO CS(=O)(=O)N1CCC(C[NH2+]CCC#N)CC1 ZINC000260614980 323099727 /nfs/dbraw/zinc/09/97/27/323099727.db2.gz RQGPXKCPSHOXMX-UHFFFAOYSA-N 1 0 245.348 0.161 20 30 BCEDRO C=CCOCC(=O)NCc1ccc(C[NH3+])cc1 ZINC000564572052 323101249 /nfs/dbraw/zinc/10/12/49/323101249.db2.gz NIYJXQINHAPKCW-UHFFFAOYSA-N 1 0 234.299 0.964 20 30 BCEDRO CC(C)[C@H](C(=O)NC[C@@H](C)C#N)[NH+](C)C ZINC000531852402 323116421 /nfs/dbraw/zinc/11/64/21/323116421.db2.gz JHVHAYXGTYHQML-VHSXEESVSA-N 1 0 211.309 0.848 20 30 BCEDRO CC[NH2+]CCNS(=O)(=O)c1ccc(C#N)o1 ZINC000563446329 323126330 /nfs/dbraw/zinc/12/63/30/323126330.db2.gz PXZOOSYMADQWPM-UHFFFAOYSA-N 1 0 243.288 0.039 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000563604549 323131304 /nfs/dbraw/zinc/13/13/04/323131304.db2.gz WHNKKSQDHZTOLL-MXWKQRLJSA-N 1 0 239.319 0.366 20 30 BCEDRO CC1CC[NH+](C[C@@H](O)CNCCC#N)CC1 ZINC000571198905 323137996 /nfs/dbraw/zinc/13/79/96/323137996.db2.gz FMITUBOGXWHPHP-LBPRGKRZSA-N 1 0 225.336 0.582 20 30 BCEDRO C=CCN(C(=O)c1cn(CCC[NH3+])nn1)C1CC1 ZINC000571432716 323144534 /nfs/dbraw/zinc/14/45/34/323144534.db2.gz QUTVJZHULJPJOW-UHFFFAOYSA-N 1 0 249.318 0.418 20 30 BCEDRO C[N@H+](CCCO)CCCc1[nH]nc(N)c1C#N ZINC000303048286 323156065 /nfs/dbraw/zinc/15/60/65/323156065.db2.gz YFWIEVWUTKZUTO-UHFFFAOYSA-N 1 0 237.307 0.110 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CC1CCC1 ZINC000111296995 323158428 /nfs/dbraw/zinc/15/84/28/323158428.db2.gz MEQRGCPDKAXNHZ-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO CSCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000070197066 323173119 /nfs/dbraw/zinc/17/31/19/323173119.db2.gz GGKVCJUSWTWHOS-UHFFFAOYSA-N 1 0 227.333 0.454 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)NC1CC1 ZINC000563784385 323177757 /nfs/dbraw/zinc/17/77/57/323177757.db2.gz QKQPQCXYPMNQRC-MNOVXSKESA-N 1 0 224.304 0.588 20 30 BCEDRO N#CCC1CC[NH+]([C@H]2CC(=O)NC2=O)CC1 ZINC000563821472 323179354 /nfs/dbraw/zinc/17/93/54/323179354.db2.gz QVDMAJBBJMIYAE-VIFPVBQESA-N 1 0 221.260 0.027 20 30 BCEDRO C=CCCCC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000563935869 323327593 /nfs/dbraw/zinc/32/75/93/323327593.db2.gz IGJXAAWCEFDIQW-MNOVXSKESA-N 1 0 226.320 0.917 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+](C)CCN1CCCC1=O ZINC000677048413 487958915 /nfs/dbraw/zinc/95/89/15/487958915.db2.gz WEZZCHLABZRQDH-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(CC(N)=O)CC1 ZINC000677048435 487959080 /nfs/dbraw/zinc/95/90/80/487959080.db2.gz XFMIXNMXPFIQOP-NSHDSACASA-N 1 0 226.320 0.511 20 30 BCEDRO C=C1CCN(C(=O)[C@@H](N)CC[NH+](C)C)CC1 ZINC000653174123 487959110 /nfs/dbraw/zinc/95/91/10/487959110.db2.gz BWLGRFRDMOFNBW-NSHDSACASA-N 1 0 225.336 0.444 20 30 BCEDRO N#Cc1ccc2ncc(C[NH2+]CC3COC3)n2c1 ZINC000527816552 323700306 /nfs/dbraw/zinc/70/03/06/323700306.db2.gz FLJUCTBUIWHJLQ-UHFFFAOYSA-N 1 0 242.282 0.942 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000528048369 323752629 /nfs/dbraw/zinc/75/26/29/323752629.db2.gz KHLYCQYQMMASEV-NSHDSACASA-N 1 0 246.376 0.822 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)C1CCOCC1 ZINC000125305769 323861281 /nfs/dbraw/zinc/86/12/81/323861281.db2.gz LQASKKQKMXQKHT-MNOVXSKESA-N 1 0 238.331 0.529 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000537120806 324013688 /nfs/dbraw/zinc/01/36/88/324013688.db2.gz KGYLAXFACAAHRO-GHMZBOCLSA-N 1 0 226.320 0.239 20 30 BCEDRO C=CCN(C)CC(=O)NC1CC[NH+](CC)CC1 ZINC000121585753 324017423 /nfs/dbraw/zinc/01/74/23/324017423.db2.gz DMTJTTSQHMIYFB-UHFFFAOYSA-N 1 0 239.363 0.705 20 30 BCEDRO CC1CC(C#N)(C(=O)NC[C@@H]2CC[N@H+](C)C2)C1 ZINC000122358594 324045202 /nfs/dbraw/zinc/04/52/02/324045202.db2.gz XJYJMTHNUAYZFQ-AKJDGMEZSA-N 1 0 235.331 0.994 20 30 BCEDRO N#Cc1cc(N2CC[C@@H]([NH+]3CC=CC3)C2)ncn1 ZINC000564154580 324180600 /nfs/dbraw/zinc/18/06/00/324180600.db2.gz FFTHAAFIMMXPAY-GFCCVEGCSA-N 1 0 241.298 0.799 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000541947509 325000288 /nfs/dbraw/zinc/00/02/88/325000288.db2.gz HGTXDTMOEOBSOV-VHSXEESVSA-N 1 0 236.319 0.682 20 30 BCEDRO C[N@@H+]1CCC[C@H](CNC(=O)NCCCC#N)C1 ZINC000544112659 325131069 /nfs/dbraw/zinc/13/10/69/325131069.db2.gz BSOHXZBPAJKJKV-LLVKDONJSA-N 1 0 238.335 0.931 20 30 BCEDRO CC(C)[N@H+](CCCSCC#N)CC(N)=O ZINC000074981039 325273447 /nfs/dbraw/zinc/27/34/47/325273447.db2.gz KCQKDCCWYYNOSJ-UHFFFAOYSA-N 1 0 229.349 0.829 20 30 BCEDRO C#CCNC(=O)NCCC[NH+](CC)CC ZINC000075530308 325300063 /nfs/dbraw/zinc/30/00/63/325300063.db2.gz ACOUEZKXNQDMLT-UHFFFAOYSA-N 1 0 211.309 0.651 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@H]2CCC[C@H]21 ZINC000075769309 325311386 /nfs/dbraw/zinc/31/13/86/325311386.db2.gz JYMYVKNWMIPDAV-GHMZBOCLSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](COC)C(C)C ZINC000134402996 325357245 /nfs/dbraw/zinc/35/72/45/325357245.db2.gz GBIXQKMRMGTCTP-SNVBAGLBSA-N 1 0 214.309 0.549 20 30 BCEDRO N#C[C@@H]1CN(CC[NH+]2CCCCC2)CCO1 ZINC000077283253 325372372 /nfs/dbraw/zinc/37/23/72/325372372.db2.gz NQWMNQFAOXOOAE-GFCCVEGCSA-N 1 0 223.320 0.697 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000548042460 325422342 /nfs/dbraw/zinc/42/23/42/325422342.db2.gz UYZKNQSMBJUJCY-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO CC1CC[NH+](CC(=O)NC2(C#N)CC2)CC1 ZINC000137536500 325485320 /nfs/dbraw/zinc/48/53/20/325485320.db2.gz LPVKWPGHIIGUEW-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C[NH2+]CCN(C)C(=O)c1ccc(C#N)c(C)n1 ZINC000564664222 325802504 /nfs/dbraw/zinc/80/25/04/325802504.db2.gz KBVYWJRXYMCCSD-UHFFFAOYSA-N 1 0 232.287 0.553 20 30 BCEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCO[C@@H](C#N)C1 ZINC000565652641 325938327 /nfs/dbraw/zinc/93/83/27/325938327.db2.gz ALMNRBLZARPWEA-AEJSXWLSSA-N 1 0 240.307 0.046 20 30 BCEDRO CS(=O)(=O)NC[C@@H]1CCC[C@@H]1[NH2+]CCC#N ZINC000566129237 326000472 /nfs/dbraw/zinc/00/04/72/326000472.db2.gz AZERMRSNZFUENO-UWVGGRQHSA-N 1 0 245.348 0.208 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000673520644 487971468 /nfs/dbraw/zinc/97/14/68/487971468.db2.gz FRPZXZMHJAGTDN-WDEREUQCSA-N 1 0 244.335 0.006 20 30 BCEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1c1ccnc(C#N)n1 ZINC000566485345 326056791 /nfs/dbraw/zinc/05/67/91/326056791.db2.gz GSDUGZCWMNNKEV-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO CN(CCC[NH3+])S(=O)(=O)c1ccc(C#N)o1 ZINC000566503574 326060089 /nfs/dbraw/zinc/06/00/89/326060089.db2.gz MSRDOFKLIAANDZ-UHFFFAOYSA-N 1 0 243.288 0.121 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)CN1CC(C)(C)C1 ZINC000566730898 326077344 /nfs/dbraw/zinc/07/73/44/326077344.db2.gz XAXWHJRVZKOCSX-JTQLQIEISA-N 1 0 223.320 0.946 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC[C@@H]1CCNC1=O ZINC000567059250 326108989 /nfs/dbraw/zinc/10/89/89/326108989.db2.gz STWWHVDTQWRWHC-UTUOFQBUSA-N 1 0 238.331 0.836 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)NCC1(C#N)CC1 ZINC000567210383 326138191 /nfs/dbraw/zinc/13/81/91/326138191.db2.gz QPCKVNFFZRMOFM-UHFFFAOYSA-N 1 0 238.335 0.883 20 30 BCEDRO CC(C)[N@H+](C)CCNS(=O)(=O)CCCC#N ZINC000155568779 326201096 /nfs/dbraw/zinc/20/10/96/326201096.db2.gz LSSZFOXQVAXLCC-UHFFFAOYSA-N 1 0 247.364 0.550 20 30 BCEDRO C#CC[N@@H+](CC(=O)N1CCNC1=O)C1CCCC1 ZINC000155887006 326213526 /nfs/dbraw/zinc/21/35/26/326213526.db2.gz PZFXBJWTSLODKS-UHFFFAOYSA-N 1 0 249.314 0.416 20 30 BCEDRO C=CC(C)(C)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000567696959 326246870 /nfs/dbraw/zinc/24/68/70/326246870.db2.gz LQBMOXJWZIZUHU-GFCCVEGCSA-N 1 0 239.363 0.995 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000567696125 326246992 /nfs/dbraw/zinc/24/69/92/326246992.db2.gz RNLGFUPUQHTNAH-LBPRGKRZSA-N 1 0 225.336 0.749 20 30 BCEDRO COC[C@H](O)C[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000567697868 326247207 /nfs/dbraw/zinc/24/72/07/326247207.db2.gz OMZYAULHQDKPHD-GARJFASQSA-N 1 0 212.293 0.666 20 30 BCEDRO N#CCCN[C@H](CO)C[NH+]1CCCCC1 ZINC000567873528 326274596 /nfs/dbraw/zinc/27/45/96/326274596.db2.gz XWGXIJRNSQCYKB-NSHDSACASA-N 1 0 211.309 0.336 20 30 BCEDRO N#Cc1ncn(CCC2CC[NH2+]CC2)n1 ZINC000157619708 326287414 /nfs/dbraw/zinc/28/74/14/326287414.db2.gz LYRWPIKQOKSAFA-UHFFFAOYSA-N 1 0 205.265 0.539 20 30 BCEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000568002398 326290957 /nfs/dbraw/zinc/29/09/57/326290957.db2.gz SCGRPXWHZFTCBU-VXGBXAGGSA-N 1 0 240.347 0.991 20 30 BCEDRO CCCC[N@H+](C)CCNc1ncncc1C#N ZINC000568081651 326305833 /nfs/dbraw/zinc/30/58/33/326305833.db2.gz XMLJSHRBYPZUQR-UHFFFAOYSA-N 1 0 233.319 0.914 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1scnc1C ZINC000164478419 326413298 /nfs/dbraw/zinc/41/32/98/326413298.db2.gz QKOOIVLXWXZKAC-UHFFFAOYSA-N 1 0 237.328 0.681 20 30 BCEDRO Cc1nc(C(=O)NC[C@H]2CCC[NH2+]2)ccc1C#N ZINC000572970327 326421799 /nfs/dbraw/zinc/42/17/99/326421799.db2.gz LCDZKIQAXSMVHH-LLVKDONJSA-N 1 0 244.298 0.744 20 30 BCEDRO C=CCOCCCC(=O)N[C@H](CO)C[NH+](C)C ZINC000673520607 487972842 /nfs/dbraw/zinc/97/28/42/487972842.db2.gz KRIQQAFULJEMNZ-NSHDSACASA-N 1 0 244.335 0.008 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000682537502 487981251 /nfs/dbraw/zinc/98/12/51/487981251.db2.gz AKUIICIECKBXSG-FIQHERPVSA-N 1 0 238.331 0.509 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668598031 487985831 /nfs/dbraw/zinc/98/58/31/487985831.db2.gz HSDJJXOQVQAJPN-AAEUAGOBSA-N 1 0 238.331 0.619 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668599261 487988386 /nfs/dbraw/zinc/98/83/86/487988386.db2.gz RSYDLIAJVXSSMU-WDEREUQCSA-N 1 0 224.304 0.228 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000667377183 487990363 /nfs/dbraw/zinc/99/03/63/487990363.db2.gz MWQHNQYAJNQYOM-AAEUAGOBSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCNC(=O)CN1CC[N@@H+](CC)[C@@H](C)C1 ZINC000677196717 488001087 /nfs/dbraw/zinc/00/10/87/488001087.db2.gz VBZFTWJWUNESEK-NSHDSACASA-N 1 0 225.336 0.315 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@H+]1CCCC[C@@H]1C ZINC000666427353 488003032 /nfs/dbraw/zinc/00/30/32/488003032.db2.gz TXYRVXMUBNPNON-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCOCC(=O)N1CC[NH2+]C[C@@H]1C ZINC000309635079 488004281 /nfs/dbraw/zinc/00/42/81/488004281.db2.gz MAPJDHZHKHZSDT-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000669119845 488007641 /nfs/dbraw/zinc/00/76/41/488007641.db2.gz JJDUNWOULOUUSG-AXFHLTTASA-N 1 0 226.320 0.332 20 30 BCEDRO C=CCCOCC(=O)NC1CC[NH2+]CC1 ZINC000309650736 488011244 /nfs/dbraw/zinc/01/12/44/488011244.db2.gz SQXANCVGCPJZMW-UHFFFAOYSA-N 1 0 212.293 0.447 20 30 BCEDRO CC#CC[N@@H+](C)C[C@](C)(O)C(=O)OCC ZINC000293261189 488012194 /nfs/dbraw/zinc/01/21/94/488012194.db2.gz UMBLBXURLFSMEQ-NSHDSACASA-N 1 0 213.277 0.256 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCCC#CC)CC1 ZINC000490934566 488028055 /nfs/dbraw/zinc/02/80/55/488028055.db2.gz JKEKNDXXVAMLJM-UHFFFAOYSA-N 1 0 232.327 0.861 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](COCC)C1 ZINC000491068675 488029788 /nfs/dbraw/zinc/02/97/88/488029788.db2.gz PTEDAYNXIJFUTD-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](C)C(C)(C)C[NH+](C)C ZINC000669156571 488031951 /nfs/dbraw/zinc/03/19/51/488031951.db2.gz ZYWFSVJGUHGVTI-UWVGGRQHSA-N 1 0 228.336 0.626 20 30 BCEDRO C=CCOCCNC(=O)C[NH2+]C(C)C ZINC000379502625 488035818 /nfs/dbraw/zinc/03/58/18/488035818.db2.gz MTPCSAOWWYUUBK-UHFFFAOYSA-N 1 0 200.282 0.303 20 30 BCEDRO C=CCCOCC(=O)NCC[NH2+]C1CC1 ZINC000390820364 488045326 /nfs/dbraw/zinc/04/53/26/488045326.db2.gz VYYXQSIBNVWSIZ-UHFFFAOYSA-N 1 0 212.293 0.447 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCC[C@@H]([NH+](C)C)C1 ZINC000677477852 488046374 /nfs/dbraw/zinc/04/63/74/488046374.db2.gz BBBXDNNUICEKCQ-VXGBXAGGSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCOCCCNC(=O)N1CCC([NH3+])CC1 ZINC000659597211 488056890 /nfs/dbraw/zinc/05/68/90/488056890.db2.gz OLEDURXJWSIBIE-UHFFFAOYSA-N 1 0 241.335 0.712 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H](CO)C2CCC2)C1=O ZINC000661153042 488080454 /nfs/dbraw/zinc/08/04/54/488080454.db2.gz HRJHKEBVPHNRBY-NWDGAFQWSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C(C)[C@H](CO)N1CC[NH+](C(C)C)CC1 ZINC000677603227 488083818 /nfs/dbraw/zinc/08/38/18/488083818.db2.gz TUWMTCSHIKGBSK-LBPRGKRZSA-N 1 0 212.337 0.949 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+](C)C(C)C ZINC000668699860 488132363 /nfs/dbraw/zinc/13/23/63/488132363.db2.gz CNENMFGTOXYSEX-NSHDSACASA-N 1 0 214.309 0.380 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000677818283 488133200 /nfs/dbraw/zinc/13/32/00/488133200.db2.gz ILQMKSMERSGVAU-GFCCVEGCSA-N 1 0 238.331 0.614 20 30 BCEDRO C=CCCNC(=O)c1csc(CC[NH3+])n1 ZINC000168787668 487541298 /nfs/dbraw/zinc/54/12/98/487541298.db2.gz BKQUJKNIYFTEHK-UHFFFAOYSA-N 1 0 225.317 0.950 20 30 BCEDRO C=CCCCNC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000669573435 487544852 /nfs/dbraw/zinc/54/48/52/487544852.db2.gz KTAIEOSFHKLDRH-GHMZBOCLSA-N 1 0 241.335 0.710 20 30 BCEDRO C=CCOCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000308843880 487555834 /nfs/dbraw/zinc/55/58/34/487555834.db2.gz ZXTYJDYOYVWGNV-NSHDSACASA-N 1 0 212.293 0.305 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000668799184 487556704 /nfs/dbraw/zinc/55/67/04/487556704.db2.gz QJEOFEXTDZHEEX-WDEREUQCSA-N 1 0 226.320 0.334 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000668799182 487556505 /nfs/dbraw/zinc/55/65/05/487556505.db2.gz QJEOFEXTDZHEEX-MNOVXSKESA-N 1 0 226.320 0.334 20 30 BCEDRO CC#CCN1CC[NH+](C(C)(C)CO)CC1 ZINC000673896048 487472064 /nfs/dbraw/zinc/47/20/64/487472064.db2.gz OIDKNMHJLYBFHG-UHFFFAOYSA-N 1 0 210.321 0.398 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000669563813 487483940 /nfs/dbraw/zinc/48/39/40/487483940.db2.gz CBSISPLEPCNUBL-RYUDHWBXSA-N 1 0 235.331 0.793 20 30 BCEDRO CCOCCO[C@H]1CC[N@H+](CC#CCOC)C1 ZINC000677819668 487516002 /nfs/dbraw/zinc/51/60/02/487516002.db2.gz JZQPLCYGCRJPPV-ZDUSSCGKSA-N 1 0 241.331 0.764 20 30 BCEDRO CC#CCC[N@H+](C)CC(=O)N1CCCC1 ZINC000680882110 487663877 /nfs/dbraw/zinc/66/38/77/487663877.db2.gz NUOAWIWZDJLUCQ-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO COCC#CC[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000677820062 488135998 /nfs/dbraw/zinc/13/59/98/488135998.db2.gz WKSWFOKEWGKIKI-NEPJUHHUSA-N 1 0 211.305 0.729 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000379490987 488140826 /nfs/dbraw/zinc/14/08/26/488140826.db2.gz QEZYAYZFTARPMQ-IUCAKERBSA-N 1 0 200.282 0.289 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@@H](O)C1CC1 ZINC000677893150 488150642 /nfs/dbraw/zinc/15/06/42/488150642.db2.gz UTIHAJVXEQEOQV-GXSJLCMTSA-N 1 0 226.320 0.380 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000668008781 488183069 /nfs/dbraw/zinc/18/30/69/488183069.db2.gz CYKWGSSDQYIWAS-DGCLKSJQSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000668743255 488199035 /nfs/dbraw/zinc/19/90/35/488199035.db2.gz RWXJXLVDEKRXRB-ZYHUDNBSSA-N 1 0 226.320 0.334 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])C(C)C ZINC000308509563 488206518 /nfs/dbraw/zinc/20/65/18/488206518.db2.gz BHZNYDGGFSOXHP-VIFPVBQESA-N 1 0 200.282 0.289 20 30 BCEDRO C=CCOCCNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000669555283 488216666 /nfs/dbraw/zinc/21/66/66/488216666.db2.gz NNGTZQGCKCEAHJ-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCC[NH+]1CCN([C@H]2CCOC2)CC1 ZINC000678626560 488274558 /nfs/dbraw/zinc/27/45/58/488274558.db2.gz MFFAAVMZANTBMH-LBPRGKRZSA-N 1 0 210.321 0.969 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@H](C)[NH+](C)C ZINC000678801617 488285066 /nfs/dbraw/zinc/28/50/66/488285066.db2.gz XZYDIFMDYZREGD-UWVGGRQHSA-N 1 0 214.309 0.237 20 30 BCEDRO C=CCOCCNC(=O)NCCC[NH+](C)C ZINC000679587161 488359667 /nfs/dbraw/zinc/35/96/67/488359667.db2.gz NVWPSVFUXPUNOU-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C=CCOCCNC(=O)NCC[NH+](CC)CC ZINC000679587764 488359773 /nfs/dbraw/zinc/35/97/73/488359773.db2.gz XVOFEDYULLFZII-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000668314200 490086173 /nfs/dbraw/zinc/08/61/73/490086173.db2.gz JTIVURGORQSXIU-CYBMUJFWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCOCCC[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000352660140 490099680 /nfs/dbraw/zinc/09/96/80/490099680.db2.gz MPCQJWWKHISRAV-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C[C@@H]1CN(c2ncncc2C#N)C[C@H](C)[N@H+]1C ZINC000306082613 490287707 /nfs/dbraw/zinc/28/77/07/490287707.db2.gz DYPGOOKIYNAASQ-AOOOYVTPSA-N 1 0 231.303 0.877 20 30 BCEDRO C=CCC[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000658114732 490303969 /nfs/dbraw/zinc/30/39/69/490303969.db2.gz QKQYFYAGAZGJQL-UHFFFAOYSA-N 1 0 237.303 0.673 20 30 BCEDRO C[NH+](C)C[C@H]1CCCCN1C(=O)CC#N ZINC000405177347 490347420 /nfs/dbraw/zinc/34/74/20/490347420.db2.gz SHSLEHVJCIZWMB-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO C[NH+]=C(NCc1ccnn1C)N[C@@H]1C[C@@H]1C ZINC000083858404 490562983 /nfs/dbraw/zinc/56/29/83/490562983.db2.gz HMXGIBPQDYGWEI-WCBMZHEXSA-N 1 0 221.308 0.494 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCN(C)CCCC ZINC000491742961 491080450 /nfs/dbraw/zinc/08/04/50/491080450.db2.gz KCQYBTHPXXESDH-UHFFFAOYSA-N 1 0 239.363 0.447 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H](C)[C@@H](OC)C1 ZINC000491623435 491079403 /nfs/dbraw/zinc/07/94/03/491079403.db2.gz FZRISZKRRLSXMD-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C[NH2+][C@H]1CCN(C(=O)C2(C#N)CCCC2)C1 ZINC000563337158 491104534 /nfs/dbraw/zinc/10/45/34/491104534.db2.gz RILBCZWZUUMXBK-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO CC#CCC[NH+]1CCC(CO)(OC)CC1 ZINC000401762919 491133111 /nfs/dbraw/zinc/13/31/11/491133111.db2.gz WMSHMYAKKSQINA-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@H](C)Cn1cccn1 ZINC000309021339 491142707 /nfs/dbraw/zinc/14/27/07/491142707.db2.gz XEHCIMIPJVNZOO-GHMZBOCLSA-N 1 0 209.293 0.798 20 30 BCEDRO COCC#CC[NH2+][C@@]1(CCOC)CCOC1 ZINC000309485125 491149561 /nfs/dbraw/zinc/14/95/61/491149561.db2.gz VEFZFISIYSSQHQ-LBPRGKRZSA-N 1 0 227.304 0.421 20 30 BCEDRO CON=CC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000890881035 582585087 /nfs/dbraw/zinc/58/50/87/582585087.db2.gz QZSDFBDAISBQMN-UHFFFAOYSA-N 1 0 229.324 0.665 20 30 BCEDRO C[C@@H](CNc1cncc(C#N)n1)[NH+](C)C ZINC000401347800 534096931 /nfs/dbraw/zinc/09/69/31/534096931.db2.gz VXRWQJQJASWQRM-QMMMGPOBSA-N 1 0 205.265 0.710 20 30 BCEDRO N#CCCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891770546 582718479 /nfs/dbraw/zinc/71/84/79/582718479.db2.gz ZZPMJPKVTLHJNL-JQWIXIFHSA-N 1 0 236.319 0.874 20 30 BCEDRO N#CC1(CNC(=O)NC[C@H]2C[C@@H]([NH3+])C2)CC1 ZINC000891874614 582733785 /nfs/dbraw/zinc/73/37/85/582733785.db2.gz HRPQTWBCFPPOMB-DTORHVGOSA-N 1 0 222.292 0.327 20 30 BCEDRO Cc1ccc(C=NNC2=[NH+]C[C@H](C)N2)o1 ZINC000779795951 582733173 /nfs/dbraw/zinc/73/31/73/582733173.db2.gz ZKDBKOZYJGRXPX-ZETCQYMHSA-N 1 0 206.249 0.859 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H](C)c2cnn(C)c2)C1=O ZINC000281395101 517333844 /nfs/dbraw/zinc/33/38/44/517333844.db2.gz PZFQPRGYALJRDT-PWSUYJOCSA-N 1 0 248.330 0.858 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]CCOCCO ZINC000020199157 518332983 /nfs/dbraw/zinc/33/29/83/518332983.db2.gz BAHBBELJBDNQDK-UHFFFAOYSA-N 1 0 249.310 0.797 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@]1(COC)CC[NH2+]C1 ZINC000261561154 534346188 /nfs/dbraw/zinc/34/61/88/534346188.db2.gz AKCOACADWNFDHT-CMPLNLGQSA-N 1 0 226.320 0.693 20 30 BCEDRO C[NH+]=C(NCc1cc(C(N)=O)co1)NC1CC1 ZINC000262428061 536304629 /nfs/dbraw/zinc/30/46/29/536304629.db2.gz IMGCIPIPTZSTQW-UHFFFAOYSA-N 1 0 236.275 0.206 20 30 BCEDRO C[NH+]=C(NCC1=CCCOC1)NC1CC1 ZINC000262317308 536304701 /nfs/dbraw/zinc/30/47/01/536304701.db2.gz PQKNHSZESSHXLS-UHFFFAOYSA-N 1 0 209.293 0.661 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@H]2CCCO[C@@H]2C1(C)C ZINC000262347455 536304942 /nfs/dbraw/zinc/30/49/42/536304942.db2.gz AKZDEEICBFOHPN-HLTSFMKQSA-N 1 0 211.309 0.724 20 30 BCEDRO CNC(=[NH2+])NCc1csc(COC)n1 ZINC000262340730 536305234 /nfs/dbraw/zinc/30/52/34/536305234.db2.gz CMGQHUXWQVPRJL-UHFFFAOYSA-N 1 0 214.294 0.324 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCCC2 ZINC000261701604 536305239 /nfs/dbraw/zinc/30/52/39/536305239.db2.gz UATQCZQUFHUHHP-AEJSXWLSSA-N 1 0 223.320 0.868 20 30 BCEDRO CNC(=[NH2+])NCc1cn2ccc(C)cc2n1 ZINC000261747924 536305260 /nfs/dbraw/zinc/30/52/60/536305260.db2.gz JJJNLTDYVUPBEZ-UHFFFAOYSA-N 1 0 217.276 0.677 20 30 BCEDRO CNC(=[NH2+])NCc1cn(C)nc1C(F)(F)F ZINC000158598533 536305281 /nfs/dbraw/zinc/30/52/81/536305281.db2.gz CELAXHRDMQHVKF-UHFFFAOYSA-N 1 0 235.213 0.473 20 30 BCEDRO CNC(=[NH2+])NCc1ccnc(-n2ccnc2)c1 ZINC000303260940 536305330 /nfs/dbraw/zinc/30/53/30/536305330.db2.gz NYLHEUYSBQZYNP-UHFFFAOYSA-N 1 0 230.275 0.301 20 30 BCEDRO C=C(CC)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000263099982 534370516 /nfs/dbraw/zinc/37/05/16/534370516.db2.gz JWATXIIOZHKYPR-JTQLQIEISA-N 1 0 211.309 0.988 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C[NH+](CC)CC ZINC000337485765 534387617 /nfs/dbraw/zinc/38/76/17/534387617.db2.gz ZFDQBWVLAITKMQ-NSHDSACASA-N 1 0 228.336 0.629 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)CC(=O)N(C)C ZINC000309391562 534401128 /nfs/dbraw/zinc/40/11/28/534401128.db2.gz ULPKPIQURZDYET-QWRGUYRKSA-N 1 0 228.336 0.627 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H](C)C[NH+](C)C ZINC000358500428 534404578 /nfs/dbraw/zinc/40/45/78/534404578.db2.gz MHLBHLWRBCUGEW-NXEZZACHSA-N 1 0 229.324 0.173 20 30 BCEDRO C=C(CC)C[NH2+][C@H](C)CS(C)(=O)=O ZINC000085058790 534420477 /nfs/dbraw/zinc/42/04/77/534420477.db2.gz HMAZLCYNVPFYJI-SECBINFHSA-N 1 0 205.323 0.975 20 30 BCEDRO C=C(Cl)C[N@@H+]1CC[C@H]2C(=O)NC[C@H]2C1 ZINC000377721065 534439987 /nfs/dbraw/zinc/43/99/87/534439987.db2.gz ISFJZTJKIOVCGD-DTWKUNHWSA-N 1 0 214.696 0.807 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(C)(C#N)C1 ZINC000487583282 534442448 /nfs/dbraw/zinc/44/24/48/534442448.db2.gz OSGTXNWATBLHPA-NXEZZACHSA-N 1 0 221.304 0.556 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1C[C@@]12CC[NH2+]C2 ZINC000261528351 534445478 /nfs/dbraw/zinc/44/54/78/534445478.db2.gz NXWAWDGBDSUADU-WCBMZHEXSA-N 1 0 214.696 0.855 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1C[C@]12CC[NH2+]C2 ZINC000261528350 534448278 /nfs/dbraw/zinc/44/82/78/534448278.db2.gz NXWAWDGBDSUADU-SCZZXKLOSA-N 1 0 214.696 0.855 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000362380326 534487716 /nfs/dbraw/zinc/48/77/16/534487716.db2.gz PONMOHIQZQRZOZ-MNOVXSKESA-N 1 0 240.351 0.106 20 30 BCEDRO C=C[C@@H](C)[NH2+][C@H](C)CS(=O)(=O)CC ZINC000162308645 534512729 /nfs/dbraw/zinc/51/27/29/534512729.db2.gz RQCJHXPVGKIYAO-RKDXNWHRSA-N 1 0 205.323 0.974 20 30 BCEDRO C=C[C@@H](CO)NC(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000358766465 534527441 /nfs/dbraw/zinc/52/74/41/534527441.db2.gz ICNBMBSTNMHZAC-VHSXEESVSA-N 1 0 239.319 0.069 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000290433678 534529605 /nfs/dbraw/zinc/52/96/05/534529605.db2.gz AOOGEVLXLALZRO-ZJUUUORDSA-N 1 0 228.336 0.816 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000263010840 534581703 /nfs/dbraw/zinc/58/17/03/534581703.db2.gz BPBJAFDRVKEBKD-ONGXEEELSA-N 1 0 223.320 0.986 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])NC(C)C ZINC000263050107 534581956 /nfs/dbraw/zinc/58/19/56/534581956.db2.gz KQJLPSJKYLLMAC-UWVGGRQHSA-N 1 0 211.309 0.890 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])N1CCOCC1 ZINC000263005396 534582443 /nfs/dbraw/zinc/58/24/43/534582443.db2.gz AILJSDMLPTUODV-QWRGUYRKSA-N 1 0 239.319 0.224 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H](C)[C@@H]([NH3+])C1 ZINC000333600517 534600344 /nfs/dbraw/zinc/60/03/44/534600344.db2.gz BWVBQYIDHNMXSW-YTWAJWBKSA-N 1 0 239.319 0.319 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000333822414 534600610 /nfs/dbraw/zinc/60/06/10/534600610.db2.gz RIRIRTPNQKVELC-MMWGEVLESA-N 1 0 239.319 0.461 20 30 BCEDRO C=CCCC(=O)N1CCN([C@@H]2CC[NH2+]C2)CC1 ZINC000261550624 534605957 /nfs/dbraw/zinc/60/59/57/534605957.db2.gz LHHKXPOPNQGTOG-GFCCVEGCSA-N 1 0 237.347 0.459 20 30 BCEDRO C=CCCC(=O)N1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000261550625 534606009 /nfs/dbraw/zinc/60/60/09/534606009.db2.gz LHHKXPOPNQGTOG-LBPRGKRZSA-N 1 0 237.347 0.459 20 30 BCEDRO C=CCCC(=O)N1CC[C@@H](OC)C[C@@H]1C[NH3+] ZINC000165644142 534608881 /nfs/dbraw/zinc/60/88/81/534608881.db2.gz YSPPWKWNAZIRPE-GHMZBOCLSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCCC(=O)N1CC[C@H](N2CC[NH2+]CC2)C1 ZINC000261559260 534610217 /nfs/dbraw/zinc/61/02/17/534610217.db2.gz SZTHQAHBCQFNMY-LBPRGKRZSA-N 1 0 237.347 0.459 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000355792390 534620155 /nfs/dbraw/zinc/62/01/55/534620155.db2.gz JZOOPVATNBCGIX-CYBMUJFWSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000354627890 534621573 /nfs/dbraw/zinc/62/15/73/534621573.db2.gz APNBFSHJNLLKSX-WCQYABFASA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC1([NH+](C)C)CCC1 ZINC000356002493 534625865 /nfs/dbraw/zinc/62/58/65/534625865.db2.gz DWVAKEAXBWOYDV-GFCCVEGCSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](C)NS(=O)(=O)CC[NH+](CC)CC ZINC000352069688 534666503 /nfs/dbraw/zinc/66/65/03/534666503.db2.gz YXLGHEDBVSMYAD-JTQLQIEISA-N 1 0 234.365 0.822 20 30 BCEDRO C=C[C@H](CO)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000331529551 534677445 /nfs/dbraw/zinc/67/74/45/534677445.db2.gz UADXEJOZRDUZKU-LLVKDONJSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000309109193 534685122 /nfs/dbraw/zinc/68/51/22/534685122.db2.gz JBZFQJDBPZESAK-UMNHJUIQSA-N 1 0 210.321 0.606 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335298496 534706880 /nfs/dbraw/zinc/70/68/80/534706880.db2.gz BCVMSOWKHICPJK-SECBINFHSA-N 1 0 245.273 0.648 20 30 BCEDRO CC#CC[NH+]1CCC([C@]2(C)NC(=O)NC2=O)CC1 ZINC000336553897 534707582 /nfs/dbraw/zinc/70/75/82/534707582.db2.gz ZBPPMXMJEJQEEC-ZDUSSCGKSA-N 1 0 249.314 0.320 20 30 BCEDRO CC#CC[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000120062224 534708614 /nfs/dbraw/zinc/70/86/14/534708614.db2.gz CZADHXQBUYBNTB-UHFFFAOYSA-N 1 0 235.287 0.026 20 30 BCEDRO CC#CC[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000305193813 534708828 /nfs/dbraw/zinc/70/88/28/534708828.db2.gz DKGUGZOCCUXHHO-LLVKDONJSA-N 1 0 225.288 0.256 20 30 BCEDRO C=CCCC[N@@H+](C)[C@@H](C)C(=O)NC(N)=O ZINC000121148614 534711741 /nfs/dbraw/zinc/71/17/41/534711741.db2.gz FFQOOFZBESRWQC-QMMMGPOBSA-N 1 0 213.281 0.468 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000335414935 534713626 /nfs/dbraw/zinc/71/36/26/534713626.db2.gz YSUBDHQOBQNNKO-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CCCC[NH2+]C1 ZINC000335611569 534714789 /nfs/dbraw/zinc/71/47/89/534714789.db2.gz HSQPPFSKZNHTIJ-SNVBAGLBSA-N 1 0 209.293 0.451 20 30 BCEDRO C=CCCOCC[NH2+][C@H](C)CC(=O)NC ZINC000131549798 534778638 /nfs/dbraw/zinc/77/86/38/534778638.db2.gz RDJZASSQLOKQDC-SNVBAGLBSA-N 1 0 214.309 0.693 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]2CC[NH2+][C@@H]2C1 ZINC000373884898 534785631 /nfs/dbraw/zinc/78/56/31/534785631.db2.gz FNZOTPWDBTUJKR-WDEREUQCSA-N 1 0 244.360 0.576 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000335324816 534785673 /nfs/dbraw/zinc/78/56/73/534785673.db2.gz CNPITSDDJOIABY-GHMZBOCLSA-N 1 0 244.360 0.434 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000261592019 534785885 /nfs/dbraw/zinc/78/58/85/534785885.db2.gz VRJBQAJCLIWAHJ-NXEZZACHSA-N 1 0 232.349 0.561 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](O)c1cccc(OC)c1 ZINC000267379711 534844038 /nfs/dbraw/zinc/84/40/38/534844038.db2.gz ASNRPFIBLVKKPL-LBPRGKRZSA-N 1 0 249.314 0.819 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(N(C)C)nc1 ZINC000264127216 534843626 /nfs/dbraw/zinc/84/36/26/534843626.db2.gz WVUMEDBYEOYNEN-UHFFFAOYSA-N 1 0 233.319 0.738 20 30 BCEDRO C=CCNC(=[NH2+])NCCn1cc(C)cn1 ZINC000262307564 534844354 /nfs/dbraw/zinc/84/43/54/534844354.db2.gz RTMREEGVZPXXHB-UHFFFAOYSA-N 1 0 207.281 0.282 20 30 BCEDRO C=CCNC(=[NH2+])NCCC1(O)CCOCC1 ZINC000262173184 534844820 /nfs/dbraw/zinc/84/48/20/534844820.db2.gz VMWCVEXEPNAREE-UHFFFAOYSA-N 1 0 227.308 0.008 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1cn2c(n1)CCCC2 ZINC000261875169 534845048 /nfs/dbraw/zinc/84/50/48/534845048.db2.gz PQHKTGYDCJORJA-UHFFFAOYSA-N 1 0 247.346 0.852 20 30 BCEDRO C=CC[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000375928144 534847902 /nfs/dbraw/zinc/84/79/02/534847902.db2.gz QKVYQYDWKMYQEP-UHFFFAOYSA-N 1 0 217.276 0.973 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@](C)(CO)C(C)C)C1=O ZINC000352890352 534852000 /nfs/dbraw/zinc/85/20/00/534852000.db2.gz CPYLGFGKTBIRPR-DGCLKSJQSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](C)O[C@H]1C ZINC000295516817 534859638 /nfs/dbraw/zinc/85/96/38/534859638.db2.gz VIONLJUOPYHCJH-LPEHRKFASA-N 1 0 212.293 0.444 20 30 BCEDRO C=CCNC(=O)CN1[C@H](C)C[NH+](CC)C[C@H]1C ZINC000347710907 534856447 /nfs/dbraw/zinc/85/64/47/534856447.db2.gz XWDXSJBZPBWKKZ-VXGBXAGGSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCNC(=O)CN1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000346191642 534856984 /nfs/dbraw/zinc/85/69/84/534856984.db2.gz OLBXYAAZNSBXJV-NWDGAFQWSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000371508527 534860459 /nfs/dbraw/zinc/86/04/59/534860459.db2.gz KCIFDCDFPCXNMX-WDEREUQCSA-N 1 0 223.320 0.908 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000336592771 534860471 /nfs/dbraw/zinc/86/04/71/534860471.db2.gz SKPIKIRJLDGPPV-WDEREUQCSA-N 1 0 223.320 0.908 20 30 BCEDRO C=CCNC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000262212142 534861393 /nfs/dbraw/zinc/86/13/93/534861393.db2.gz LSWQVTJEHQHSIA-GARJFASQSA-N 1 0 223.320 0.941 20 30 BCEDRO C=CCOCC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000356887692 534868010 /nfs/dbraw/zinc/86/80/10/534868010.db2.gz UIQALRWOWJXZLG-GHMZBOCLSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CCOCC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000261544810 534868105 /nfs/dbraw/zinc/86/81/05/534868105.db2.gz JCXZTEBWCCRTQQ-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCOCC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000261544811 534868192 /nfs/dbraw/zinc/86/81/92/534868192.db2.gz JCXZTEBWCCRTQQ-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000343640245 534868300 /nfs/dbraw/zinc/86/83/00/534868300.db2.gz MDPYGPSULKDNGU-CYBMUJFWSA-N 1 0 238.331 0.791 20 30 BCEDRO C=CCOCC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000261553490 534870162 /nfs/dbraw/zinc/87/01/62/534870162.db2.gz SOGREVHRGRAVJS-UWVGGRQHSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCOCC[N@H+](CC(N)=O)CC(C)C ZINC000293522921 534876372 /nfs/dbraw/zinc/87/63/72/534876372.db2.gz OYQANBSYIOAXHL-UHFFFAOYSA-N 1 0 214.309 0.632 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000339146894 534878894 /nfs/dbraw/zinc/87/88/94/534878894.db2.gz ARNPYUBYTRIPTN-LLVKDONJSA-N 1 0 212.293 0.386 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@H]1CN(C)C(=O)O1 ZINC000496859342 526300334 /nfs/dbraw/zinc/30/03/34/526300334.db2.gz RZRFOIMIQNJYAR-SNVBAGLBSA-N 1 0 228.292 0.571 20 30 BCEDRO CC#CCC[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495322456 526307932 /nfs/dbraw/zinc/30/79/32/526307932.db2.gz QMGAOWOGVQYHPI-UHFFFAOYSA-N 1 0 222.288 0.974 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](CN2CCOC2=O)C1 ZINC000496910648 526365114 /nfs/dbraw/zinc/36/51/14/526365114.db2.gz PIXIQEXJZVYMKX-NSHDSACASA-N 1 0 222.288 0.784 20 30 BCEDRO C=C(C)CN(C)C(=O)NCCOCC[NH+](C)C ZINC000471652054 526486744 /nfs/dbraw/zinc/48/67/44/526486744.db2.gz HQFQXWHXZQENLY-UHFFFAOYSA-N 1 0 243.351 0.782 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000401051766 526615928 /nfs/dbraw/zinc/61/59/28/526615928.db2.gz PRQARRVHXMBYAV-HBNTYKKESA-N 1 0 223.320 0.860 20 30 BCEDRO COC(=O)CN1CCC[N@H+](CCCC#N)CC1 ZINC000370236514 536469527 /nfs/dbraw/zinc/46/95/27/536469527.db2.gz PHAABTFKAPHTQU-UHFFFAOYSA-N 1 0 239.319 0.471 20 30 BCEDRO C#CCN(C(=O)N[C@@H](C)C[C@@H](C)[NH3+])C1CC1 ZINC000491483309 526771919 /nfs/dbraw/zinc/77/19/19/526771919.db2.gz AXWNLXPBOZJXBA-ZJUUUORDSA-N 1 0 223.320 0.919 20 30 BCEDRO C#CCN(C)C(=O)NCC1CC[NH+](CC)CC1 ZINC000491306412 526790994 /nfs/dbraw/zinc/79/09/94/526790994.db2.gz MUAJNWJLEMWODJ-UHFFFAOYSA-N 1 0 237.347 0.993 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NCC1(C#N)CC1 ZINC000491670747 526812924 /nfs/dbraw/zinc/81/29/24/526812924.db2.gz FBHGVXWZDCXQJP-UHFFFAOYSA-N 1 0 248.330 0.544 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC[NH2+]CC ZINC000491776948 526855901 /nfs/dbraw/zinc/85/59/01/526855901.db2.gz GRCYCILMPRNWAR-UHFFFAOYSA-N 1 0 221.304 0.264 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000491505957 526858202 /nfs/dbraw/zinc/85/82/02/526858202.db2.gz NVULGJJGNHYOGV-CHWSQXEVSA-N 1 0 247.342 0.782 20 30 BCEDRO C#CC[N@@H+](CCOCCO)C1CCCC1 ZINC000305002217 526900912 /nfs/dbraw/zinc/90/09/12/526900912.db2.gz OPGDZIURLNAUGB-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCN1CC[NH+](CCOC(C)C)CC1 ZINC000174895525 526952615 /nfs/dbraw/zinc/95/26/15/526952615.db2.gz VDJVQXNZDDRHFR-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000491670787 526978592 /nfs/dbraw/zinc/97/85/92/526978592.db2.gz FBSDTCQBUCLUIE-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCc1c[nH]nc1C ZINC000491754699 526981495 /nfs/dbraw/zinc/98/14/95/526981495.db2.gz UXZNJLSTRAVSLG-UHFFFAOYSA-N 1 0 248.330 0.380 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCN(C)[C@@H](C)CC ZINC000491475319 526981752 /nfs/dbraw/zinc/98/17/52/526981752.db2.gz VSEYBVTZXAQLQJ-LBPRGKRZSA-N 1 0 239.363 0.446 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1C[C@@H](C)O[C@@H]1C ZINC000491760728 526982301 /nfs/dbraw/zinc/98/23/01/526982301.db2.gz SJCANIVIIREKPG-UTUOFQBUSA-N 1 0 238.331 0.529 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](OC)[C@H](C)CC ZINC000491646260 526984292 /nfs/dbraw/zinc/98/42/92/526984292.db2.gz SIYSBBJSWQAMJF-NEPJUHHUSA-N 1 0 240.347 0.777 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1[NH2+]CCCC1(C)C ZINC000491700676 527012506 /nfs/dbraw/zinc/01/25/06/527012506.db2.gz GPGAVGWONIXEGS-JTQLQIEISA-N 1 0 223.320 0.697 20 30 BCEDRO C#CCNC(=O)[C@]1(c2ccccc2)CC[NH2+]C1 ZINC000491675754 527032559 /nfs/dbraw/zinc/03/25/59/527032559.db2.gz XQGZRQFSABXQHG-CQSZACIVSA-N 1 0 228.295 0.667 20 30 BCEDRO C=CC[C@H](CO)NC(=O)/C=C\C[NH+](C)C ZINC000492614728 527191387 /nfs/dbraw/zinc/19/13/87/527191387.db2.gz GVPYPXLWNJBYMQ-ONRRBMGISA-N 1 0 212.293 0.157 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000494733650 527197037 /nfs/dbraw/zinc/19/70/37/527197037.db2.gz CCMGVJKFGAWFHF-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000487122069 527204514 /nfs/dbraw/zinc/20/45/14/527204514.db2.gz XWSKXFBBNSFDOP-HBNTYKKESA-N 1 0 226.320 0.237 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000491666059 527204653 /nfs/dbraw/zinc/20/46/53/527204653.db2.gz LNVBFTAUJMUSQQ-RKDXNWHRSA-N 1 0 245.273 0.647 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000491789277 527204835 /nfs/dbraw/zinc/20/48/35/527204835.db2.gz ZBLOGYUUIXTLCE-SCZZXKLOSA-N 1 0 209.293 0.387 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@@H]1CCC[NH2+]1)C(C)C ZINC000491338415 527277261 /nfs/dbraw/zinc/27/72/61/527277261.db2.gz IFGIJGDRZIZZQX-WDEREUQCSA-N 1 0 223.320 0.695 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)CCCC[NH+](C)C ZINC000491253029 527296902 /nfs/dbraw/zinc/29/69/02/527296902.db2.gz LHYUIOHHKXPGJX-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)NC[C@@H](C)[NH2+]CC ZINC000491515201 527299288 /nfs/dbraw/zinc/29/92/88/527299288.db2.gz MJNQZSHYJFGZPY-GHMZBOCLSA-N 1 0 239.319 0.028 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)NC[C@@H]([NH3+])C(C)C ZINC000491267898 527300097 /nfs/dbraw/zinc/30/00/97/527300097.db2.gz WJPNAEXHGOFVBP-GHMZBOCLSA-N 1 0 239.319 0.013 20 30 BCEDRO C#C[C@H](NC(=O)N1CCC[N@H+](C)CC1)C(C)C ZINC000491650874 527386290 /nfs/dbraw/zinc/38/62/90/527386290.db2.gz CJTPRTQJIVKLIR-LBPRGKRZSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)NCC[NH2+]CCC ZINC000491660885 527419029 /nfs/dbraw/zinc/41/90/29/527419029.db2.gz OTEHMTBGTRUAJR-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@@H]([NH3+])CC ZINC000418737525 527470053 /nfs/dbraw/zinc/47/00/53/527470053.db2.gz VSPSISTUVGAYGZ-VHSXEESVSA-N 1 0 229.324 0.350 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])N[C@@H]1C[C@H]1C(C)C ZINC000263129632 536520589 /nfs/dbraw/zinc/52/05/89/536520589.db2.gz MYDAHPRWRQVMOX-KXUCPTDWSA-N 1 0 213.325 0.970 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CC1(C)C ZINC000262470784 536520806 /nfs/dbraw/zinc/52/08/06/536520806.db2.gz YZYVGFVTKSQWGA-BDAKNGLRSA-N 1 0 213.325 0.972 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487210580 528346068 /nfs/dbraw/zinc/34/60/68/528346068.db2.gz USFPXGFFJIDQOR-GARJFASQSA-N 1 0 223.320 0.848 20 30 BCEDRO CCCCNC(=[NH2+])NC1CN(C(=O)OC)C1 ZINC000179015133 528449824 /nfs/dbraw/zinc/44/98/24/528449824.db2.gz VVSXWLIJITWUJN-UHFFFAOYSA-N 1 0 228.296 0.141 20 30 BCEDRO CC[C@H](CC#N)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487117895 529299642 /nfs/dbraw/zinc/29/96/42/529299642.db2.gz AESKNRXOAJURLS-MXWKQRLJSA-N 1 0 223.320 0.993 20 30 BCEDRO CC(C)(C#N)CNC(=[NH2+])N1CCOCC1 ZINC000262310501 534976962 /nfs/dbraw/zinc/97/69/62/534976962.db2.gz NTHBPILPLWHALD-UHFFFAOYSA-N 1 0 210.281 0.183 20 30 BCEDRO CCCN1C[C@H](CNC(=[NH2+])NC2CC2)CC1=O ZINC000263147508 534991519 /nfs/dbraw/zinc/99/15/19/534991519.db2.gz PADQQPMCUJTOOA-VIFPVBQESA-N 1 0 238.335 0.312 20 30 BCEDRO CC(C)CNC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000264062395 535064452 /nfs/dbraw/zinc/06/44/52/535064452.db2.gz DFJFDERFWLJSDI-UHFFFAOYSA-N 1 0 248.330 0.846 20 30 BCEDRO CC(C)CNC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000262540108 535064647 /nfs/dbraw/zinc/06/46/47/535064647.db2.gz QYIJOBJEUUQVLL-SNVBAGLBSA-N 1 0 231.365 0.415 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)C1CC[NH+](C)CC1 ZINC000259826933 535124304 /nfs/dbraw/zinc/12/43/04/535124304.db2.gz DPVNBOGJWCLHGQ-LLVKDONJSA-N 1 0 223.320 0.993 20 30 BCEDRO CC1(C#N)CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000356445015 535276406 /nfs/dbraw/zinc/27/64/06/535276406.db2.gz HUSIMDNWTNHRNA-UHFFFAOYSA-N 1 0 249.314 0.761 20 30 BCEDRO CC1(C#N)CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000356432865 535276471 /nfs/dbraw/zinc/27/64/71/535276471.db2.gz LJWRRXYBXKRPLW-UHFFFAOYSA-N 1 0 245.348 0.291 20 30 BCEDRO CC(C)OCCC[N@H+](C)CC(=O)NCC#N ZINC000354221769 535323922 /nfs/dbraw/zinc/32/39/22/535323922.db2.gz KEBDUJJWJICRLK-UHFFFAOYSA-N 1 0 227.308 0.373 20 30 BCEDRO CC(C)CCNC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000303980981 535385027 /nfs/dbraw/zinc/38/50/27/535385027.db2.gz ONMGQHBFMCYSBR-LLVKDONJSA-N 1 0 242.367 0.267 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1nn(CC)nc1C ZINC000263065378 535390589 /nfs/dbraw/zinc/39/05/89/535390589.db2.gz NZYQKRFLMIFMPX-UHFFFAOYSA-N 1 0 238.339 0.763 20 30 BCEDRO CC[C@@H](C(N)=O)[NH+]1CCC(C)(C#N)CC1 ZINC000227353695 535451674 /nfs/dbraw/zinc/45/16/74/535451674.db2.gz LZTZZSBXMUKUPT-VIFPVBQESA-N 1 0 209.293 0.876 20 30 BCEDRO CCNC(NCc1ccc(C(N)=O)cc1)=[NH+]CC ZINC000264114008 535786853 /nfs/dbraw/zinc/78/68/53/535786853.db2.gz PNMNCISKKBEKRN-UHFFFAOYSA-N 1 0 248.330 0.861 20 30 BCEDRO C[NH+](C)CCCNC(=O)C1(C#N)CCC1 ZINC000083795470 535834976 /nfs/dbraw/zinc/83/49/76/535834976.db2.gz XYTWYGAZMFFVJV-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C[NH+](C)CC[C@@](C)(O)CNC(=O)C(C)(C)C#N ZINC000352120758 535924645 /nfs/dbraw/zinc/92/46/45/535924645.db2.gz KNLSZMCDSQMDCL-GFCCVEGCSA-N 1 0 241.335 0.355 20 30 BCEDRO CN(CC#N)C(=O)c1ccc(C[NH+](C)C)nc1 ZINC000339253241 535994737 /nfs/dbraw/zinc/99/47/37/535994737.db2.gz JUCNCJOMOPHJCM-UHFFFAOYSA-N 1 0 232.287 0.739 20 30 BCEDRO CC[C@@](C)(O)CNC(=[NH2+])Nc1ccccn1 ZINC000170912700 536002255 /nfs/dbraw/zinc/00/22/55/536002255.db2.gz JUBUWEWRJBWKBA-LLVKDONJSA-N 1 0 222.292 0.969 20 30 BCEDRO C#CCCNC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892601939 582925659 /nfs/dbraw/zinc/92/56/59/582925659.db2.gz PFWXHZOHSBILNF-ZSBIGDGJSA-N 1 0 235.331 0.840 20 30 BCEDRO CN(C)C1(CNC(=[NH2+])NC2CCC2)CC1 ZINC000263211913 536111318 /nfs/dbraw/zinc/11/13/18/536111318.db2.gz ZETWWAGNRMJOFK-UHFFFAOYSA-N 1 0 210.325 0.537 20 30 BCEDRO CC[C@H](Cn1cncn1)[NH2+]CCCC#N ZINC000336730586 536136971 /nfs/dbraw/zinc/13/69/71/536136971.db2.gz KGEXDRPEXBOQGB-SNVBAGLBSA-N 1 0 207.281 0.950 20 30 BCEDRO CC[C@](C)(C#N)C(=O)N1C[C@@H]2C[NH+](C)C[C@H]2C1 ZINC000355552697 536183761 /nfs/dbraw/zinc/18/37/61/536183761.db2.gz FORCIFTZHFIXHR-GMXVVIOVSA-N 1 0 235.331 0.946 20 30 BCEDRO CN1C(=O)CC[C@H]([NH2+][C@H]2CC[C@H](C#N)C2)C1=O ZINC000333551957 536310137 /nfs/dbraw/zinc/31/01/37/536310137.db2.gz JOYSLODJIPWJGJ-GUBZILKMSA-N 1 0 235.287 0.416 20 30 BCEDRO C[N@H+](CCCO)C1CCN(CCC#N)CC1 ZINC000115547304 536356847 /nfs/dbraw/zinc/35/68/47/536356847.db2.gz DWSBBVVBMKKKOC-UHFFFAOYSA-N 1 0 225.336 0.679 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)C2(C#N)CCC2)CC1 ZINC000077108932 536359551 /nfs/dbraw/zinc/35/95/51/536359551.db2.gz ZHGBYQBPGPVSRJ-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO COC(=O)C[C@]1([NH2+]CCCCC#N)CCOC1 ZINC000362268494 536362858 /nfs/dbraw/zinc/36/28/58/536362858.db2.gz CKRXQDKMCJAIAU-GFCCVEGCSA-N 1 0 240.303 0.992 20 30 BCEDRO CN(CC[N@H+](C)C1CC1)C(=O)NCCC#N ZINC000331744544 536365398 /nfs/dbraw/zinc/36/53/98/536365398.db2.gz HIDOZSYZXROCAD-UHFFFAOYSA-N 1 0 224.308 0.636 20 30 BCEDRO CNC(=[NH2+])NCc1cccc(C(=O)NC)c1 ZINC000264111682 536437484 /nfs/dbraw/zinc/43/74/84/536437484.db2.gz QYMYTHKUZOPVLN-UHFFFAOYSA-N 1 0 220.276 0.080 20 30 BCEDRO COC(=O)[C@H](C)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000261982203 536589669 /nfs/dbraw/zinc/58/96/69/536589669.db2.gz IMQJLWXHGQRLNG-NXEZZACHSA-N 1 0 241.335 0.842 20 30 BCEDRO COCCOc1cccc(CNC(N)=[NH2+])c1 ZINC000303258546 536710567 /nfs/dbraw/zinc/71/05/67/536710567.db2.gz KXMAOWPIZFDYEA-UHFFFAOYSA-N 1 0 223.276 0.485 20 30 BCEDRO COCCNC(=[NH2+])N[C@H]1CC12CCCC2 ZINC000263235757 536852963 /nfs/dbraw/zinc/85/29/63/536852963.db2.gz DOVKINKUEAUSQD-VIFPVBQESA-N 1 0 211.309 0.870 20 30 BCEDRO COCCNC(=[NH2+])N[C@H]1C[C@@](C)(OC)C1(C)C ZINC000262379868 536853646 /nfs/dbraw/zinc/85/36/46/536853646.db2.gz GSMXTPMYMJQABS-JOYOIKCWSA-N 1 0 243.351 0.741 20 30 BCEDRO COCC[NH+]1CCC(C#N)(COC)CC1 ZINC000341980227 536856120 /nfs/dbraw/zinc/85/61/20/536856120.db2.gz POHLNTYGJYUKNO-UHFFFAOYSA-N 1 0 212.293 0.885 20 30 BCEDRO COc1ccc2c(c1)nc(CNC(N)=[NH2+])n2C ZINC000184606641 537015393 /nfs/dbraw/zinc/01/53/93/537015393.db2.gz PRKNVIVNSNQZFV-UHFFFAOYSA-N 1 0 233.275 0.355 20 30 BCEDRO COc1cccc(CNC2=[NH+]C[C@@H](C)N2)n1 ZINC000262631303 537096638 /nfs/dbraw/zinc/09/66/38/537096638.db2.gz FUVHMHNPTXYBQS-MRVPVSSYSA-N 1 0 220.276 0.528 20 30 BCEDRO O=C(NCC[NH+]1CCC1)NC1CCOCC1 ZINC000328653370 566265080 /nfs/dbraw/zinc/26/50/80/566265080.db2.gz LBZMVOZDXQWLHX-UHFFFAOYSA-N 1 0 227.308 0.375 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000894108086 583307450 /nfs/dbraw/zinc/30/74/50/583307450.db2.gz PUTOUDKKDHWPPO-MNOVXSKESA-N 1 0 238.335 0.787 20 30 BCEDRO CCOC(=O)[C@]1(C)CCC[C@@H]1NC(NC)=[NH+]C ZINC000853013418 588715553 /nfs/dbraw/zinc/71/55/53/588715553.db2.gz SOCNGUFJQLYJDQ-JOYOIKCWSA-N 1 0 241.335 0.903 20 30 BCEDRO C#CCNC(=S)N[C@H]1CC[N@@H+](CCC)C1 ZINC000853029252 588716921 /nfs/dbraw/zinc/71/69/21/588716921.db2.gz QCPMSXQIPUCJPA-JTQLQIEISA-N 1 0 225.361 0.568 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853105630 588720570 /nfs/dbraw/zinc/72/05/70/588720570.db2.gz VBEWTQPLHQKTNE-GFCCVEGCSA-N 1 0 222.288 0.907 20 30 BCEDRO C#C[C@H](CO)[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000853110917 588721317 /nfs/dbraw/zinc/72/13/17/588721317.db2.gz LZUYELPADDKCHB-GFCCVEGCSA-N 1 0 246.310 0.623 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CSC)C1CCOCC1 ZINC000853114978 588721583 /nfs/dbraw/zinc/72/15/83/588721583.db2.gz BYGNYXLMPQYLTM-RYUDHWBXSA-N 1 0 243.372 0.728 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCc1ccco1 ZINC000853123295 588721773 /nfs/dbraw/zinc/72/17/73/588721773.db2.gz YFJBWIJDCUGKCU-UHFFFAOYSA-N 1 0 234.299 0.941 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc(O[C@H]2CCOC2)cc1 ZINC000853286475 588730823 /nfs/dbraw/zinc/73/08/23/588730823.db2.gz ABVVTAWLOKHDCV-NSHDSACASA-N 1 0 248.286 0.671 20 30 BCEDRO C=CCCn1cc(C=NNC2=[NH+]C[C@H](C)N2)nn1 ZINC000853330344 588733559 /nfs/dbraw/zinc/73/35/59/588733559.db2.gz MJNYQFOTYSTJFX-VIFPVBQESA-N 1 0 247.306 0.125 20 30 BCEDRO CC[C@@H]1CC(=NNC2=[NH+][C@@H](C)CN2)CO1 ZINC000853330742 588733861 /nfs/dbraw/zinc/73/38/61/588733861.db2.gz UUIPKMNYKKLVDR-IONNQARKSA-N 1 0 210.281 0.479 20 30 BCEDRO OCc1ccc(C=NNC2=[NH+]CCN2)cc1 ZINC000853357844 588738109 /nfs/dbraw/zinc/73/81/09/588738109.db2.gz MFLQJUILAKKAEK-UHFFFAOYSA-N 1 0 218.260 0.062 20 30 BCEDRO C#Cc1cccnc1NC[C@@](C)(O)C[NH+](C)C ZINC000853455979 588744165 /nfs/dbraw/zinc/74/41/65/588744165.db2.gz BGSNGLXMQWBYAO-CYBMUJFWSA-N 1 0 233.315 0.787 20 30 BCEDRO CCN(C(=O)NCCC#N)[C@@H]1CC[N@H+](C)C1 ZINC000854025849 588772019 /nfs/dbraw/zinc/77/20/19/588772019.db2.gz WEOOUXBBLVGOHG-SNVBAGLBSA-N 1 0 224.308 0.636 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NCCNc1cc[nH+]cc1 ZINC000854070605 588772836 /nfs/dbraw/zinc/77/28/36/588772836.db2.gz OSTZQRNAOCSQQW-NSHDSACASA-N 1 0 246.314 0.626 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N1CCCCN1 ZINC000854428320 588786797 /nfs/dbraw/zinc/78/67/97/588786797.db2.gz RCQUXCSBVRPGNO-NSHDSACASA-N 1 0 221.304 0.211 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCc1cn[nH]c1 ZINC000854516390 588790093 /nfs/dbraw/zinc/79/00/93/588790093.db2.gz FFJBYKHAFXRUGZ-UHFFFAOYSA-N 1 0 222.292 0.186 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1CCC ZINC000854546259 588792997 /nfs/dbraw/zinc/79/29/97/588792997.db2.gz AGBACPRCUHSVTK-VXGBXAGGSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000854650104 588799260 /nfs/dbraw/zinc/79/92/60/588799260.db2.gz MVKZCXQOIQIHIR-UTUOFQBUSA-N 1 0 238.331 0.576 20 30 BCEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1C(=O)C#CC1CC1 ZINC000854650587 588799273 /nfs/dbraw/zinc/79/92/73/588799273.db2.gz CWTNQQZKAHCVEA-PWSUYJOCSA-N 1 0 220.316 0.951 20 30 BCEDRO C#Cc1cncc(C(=O)N2CC(C[NH+](C)C)C2)c1 ZINC000854722291 588804088 /nfs/dbraw/zinc/80/40/88/588804088.db2.gz RWUHQBQBZYRESA-UHFFFAOYSA-N 1 0 243.310 0.697 20 30 BCEDRO C#Cc1ccc(C(=O)N2CC(C[NH+](C)C)C2)cn1 ZINC000854722597 588804230 /nfs/dbraw/zinc/80/42/30/588804230.db2.gz CSGUVCJYVFLAGV-UHFFFAOYSA-N 1 0 243.310 0.697 20 30 BCEDRO C#C[C@@H](CO)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000854770827 588806719 /nfs/dbraw/zinc/80/67/19/588806719.db2.gz ORMJVMIREVIZMG-RYUDHWBXSA-N 1 0 238.331 0.361 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000854770098 588806731 /nfs/dbraw/zinc/80/67/31/588806731.db2.gz AJJMVXWAKZSHFZ-GHMZBOCLSA-N 1 0 226.320 0.217 20 30 BCEDRO C#C[C@H](CO)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000854771496 588806949 /nfs/dbraw/zinc/80/69/49/588806949.db2.gz CSAQTUHAOZBZAW-LLVKDONJSA-N 1 0 247.298 0.018 20 30 BCEDRO CC(C)C#CC(=O)NCC[NH+]1CCC(O)CC1 ZINC000854852028 588813380 /nfs/dbraw/zinc/81/33/80/588813380.db2.gz UIAQCTMZESMWTQ-UHFFFAOYSA-N 1 0 238.331 0.219 20 30 BCEDRO CC1(CNC(=[NH2+])NC[C@@H]2CCCO2)COC1 ZINC000112769775 588816294 /nfs/dbraw/zinc/81/62/94/588816294.db2.gz WWLDSHSAWBBPIJ-VIFPVBQESA-N 1 0 227.308 0.106 20 30 BCEDRO C#C[C@@H](Nc1nc(N)[nH+]c(N)n1)C(C)C ZINC000858526868 582462696 /nfs/dbraw/zinc/46/26/96/582462696.db2.gz ACFUYSMOILYKIO-ZCFIWIBFSA-N 1 0 206.253 0.106 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000855361692 588828949 /nfs/dbraw/zinc/82/89/49/588828949.db2.gz HBACUEJHLRRMBY-NEPJUHHUSA-N 1 0 238.331 0.577 20 30 BCEDRO C#C[C@H]1CCCCN1C(=O)Cc1cnc[nH]1 ZINC000890657525 582495361 /nfs/dbraw/zinc/49/53/61/582495361.db2.gz SJDTVWQLHWDOSF-NSHDSACASA-N 1 0 217.272 0.967 20 30 BCEDRO C[C@@H](CCNC(=O)C#CC1CC1)[NH+](C)C ZINC000855417396 588832314 /nfs/dbraw/zinc/83/23/14/588832314.db2.gz FYOXAPOSNIIDNO-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO CN(C)C(=O)C[NH+]1CCC(S)CC1 ZINC000757163372 582545132 /nfs/dbraw/zinc/54/51/32/582545132.db2.gz OTIOJLNRBHRRPD-UHFFFAOYSA-N 1 0 202.323 0.469 20 30 BCEDRO CC#CC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000855491383 588838145 /nfs/dbraw/zinc/83/81/45/588838145.db2.gz QIQLZUCYLDOVRA-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1COC[C@@H]1C1CC1 ZINC000891047114 582601317 /nfs/dbraw/zinc/60/13/17/582601317.db2.gz OAQNEMSADFYSFG-NEPJUHHUSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CCNC(=O)C[N@H+](C)C[C@H]1CCCOC1 ZINC000113427457 588839019 /nfs/dbraw/zinc/83/90/19/588839019.db2.gz NHXGSJKSFAIZEO-LLVKDONJSA-N 1 0 224.304 0.094 20 30 BCEDRO C[C@H](C(=O)NCC#C[C@H]1CCCCO1)[NH+](C)C ZINC000891107919 582611862 /nfs/dbraw/zinc/61/18/62/582611862.db2.gz VWQTUWJHFVTGFZ-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C[C@@H](C)ONC(=O)N1CC[NH+]2CCC1CC2 ZINC000845616109 582616715 /nfs/dbraw/zinc/61/67/15/582616715.db2.gz GOKLCLKTQQSXRR-SNVBAGLBSA-N 1 0 239.319 0.982 20 30 BCEDRO C=C[C@@H](C)ONC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000845619282 582618287 /nfs/dbraw/zinc/61/82/87/582618287.db2.gz VLQNMGJUVROWAK-OUAUKWLOSA-N 1 0 239.319 0.838 20 30 BCEDRO C=C[C@H](C)ONC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000845619278 582618305 /nfs/dbraw/zinc/61/83/05/582618305.db2.gz VLQNMGJUVROWAK-GARJFASQSA-N 1 0 239.319 0.838 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1ccco1 ZINC000846678429 582664284 /nfs/dbraw/zinc/66/42/84/582664284.db2.gz UCRUMEMMKUJKSI-MWLCHTKSSA-N 1 0 233.271 0.440 20 30 BCEDRO C#CCCN1CC[NH+](CC[C@H]2CCNC2=O)CC1 ZINC000846836626 582666488 /nfs/dbraw/zinc/66/64/88/582666488.db2.gz HGVNKRYHVYMJJP-CYBMUJFWSA-N 1 0 249.358 0.154 20 30 BCEDRO C#CCOCCC(=O)N(C)CC1C[NH+](C)C1 ZINC000855638632 588842782 /nfs/dbraw/zinc/84/27/82/588842782.db2.gz OPPOKSYVFFGJHM-UHFFFAOYSA-N 1 0 224.304 0.046 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000855640855 588843139 /nfs/dbraw/zinc/84/31/39/588843139.db2.gz DQMPNWWRHWCBLQ-JTQLQIEISA-N 1 0 224.304 0.045 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCCCCC#N ZINC000891512381 582694394 /nfs/dbraw/zinc/69/43/94/582694394.db2.gz MJLZUKNILCGWJV-UWVGGRQHSA-N 1 0 224.308 0.811 20 30 BCEDRO C#CCSCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891589290 582699534 /nfs/dbraw/zinc/69/95/34/582699534.db2.gz MRXYJVZLYZIUQB-UHFFFAOYSA-N 1 0 243.376 0.779 20 30 BCEDRO C#CCSCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891589789 582699999 /nfs/dbraw/zinc/69/99/99/582699999.db2.gz RCIABXIYMCNQAP-VHSXEESVSA-N 1 0 241.360 0.484 20 30 BCEDRO N#CCCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891769307 582717790 /nfs/dbraw/zinc/71/77/90/582717790.db2.gz MSDDISRMIGWIAP-SECBINFHSA-N 1 0 210.281 0.423 20 30 BCEDRO CC(C)([NH3+])CCNC(=O)NCC(C)(C)C#N ZINC000891765152 582718158 /nfs/dbraw/zinc/71/81/58/582718158.db2.gz BXWZOAPLCJRRCU-UHFFFAOYSA-N 1 0 226.324 0.963 20 30 BCEDRO CC#CCCNC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000891814624 582725488 /nfs/dbraw/zinc/72/54/88/582725488.db2.gz SRLDSBJVEYRGKI-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO CC#CCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891813221 582725586 /nfs/dbraw/zinc/72/55/86/582725586.db2.gz ISOYRJZOWROLSD-VXGBXAGGSA-N 1 0 235.331 0.936 20 30 BCEDRO CC#CCCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000891814722 582725755 /nfs/dbraw/zinc/72/57/55/582725755.db2.gz UCKSKNNPPHOEDL-AAEUAGOBSA-N 1 0 235.331 0.984 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc3c[nH]nc3c2)N1 ZINC000779791474 582730744 /nfs/dbraw/zinc/73/07/44/582730744.db2.gz JNHDCAULAVGDQV-QMMMGPOBSA-N 1 0 242.286 0.834 20 30 BCEDRO C=CCCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891863474 582731200 /nfs/dbraw/zinc/73/12/00/582731200.db2.gz OULMLUNGMAZZQS-UWVGGRQHSA-N 1 0 209.293 0.708 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)NCC1(CC#N)CC1 ZINC000891869640 582731910 /nfs/dbraw/zinc/73/19/10/582731910.db2.gz LEAAUJISOWPVRB-NXEZZACHSA-N 1 0 236.319 0.811 20 30 BCEDRO N#CCC1(CNC(=O)N2CCC[C@@H]2C[NH3+])CC1 ZINC000891870399 582732935 /nfs/dbraw/zinc/73/29/35/582732935.db2.gz QOAJAZZAPXQEBQ-SNVBAGLBSA-N 1 0 236.319 0.813 20 30 BCEDRO N#CC1(CNC(=O)N[C@]23CCC[C@@H]2[NH2+]CC3)CC1 ZINC000891876580 582733563 /nfs/dbraw/zinc/73/35/63/582733563.db2.gz SJGKLMOPZIPBPA-GWCFXTLKSA-N 1 0 248.330 0.874 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)NCC1(C#N)CC1 ZINC000891875152 582733816 /nfs/dbraw/zinc/73/38/16/582733816.db2.gz LDFSEHHSXYNVSP-BDAKNGLRSA-N 1 0 222.292 0.421 20 30 BCEDRO CCN(C(=O)NCC1(C#N)CC1)[C@H]1CC[NH2+]C1 ZINC000891876058 582734425 /nfs/dbraw/zinc/73/44/25/582734425.db2.gz OMVMGXRHCRTRRG-JTQLQIEISA-N 1 0 236.319 0.684 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@H]([NH3+])C[C@@H]1C)C(C)C ZINC000891905601 582736617 /nfs/dbraw/zinc/73/66/17/582736617.db2.gz QRUATRSTUSOXIO-AXFHLTTASA-N 1 0 223.320 0.775 20 30 BCEDRO N#CC[C@@H]1CC[C@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000891931318 582740007 /nfs/dbraw/zinc/74/00/07/582740007.db2.gz GCCPQUNGRRTMOH-BJDJZHNGSA-N 1 0 248.330 0.824 20 30 BCEDRO C[C@@H](O)CNN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848409739 582767039 /nfs/dbraw/zinc/76/70/39/582767039.db2.gz CJYMBHDHLJVNJP-ZYHUDNBSSA-N 1 0 225.336 0.961 20 30 BCEDRO [NH2+]=C(NCCO)NCCc1ccccc1 ZINC000104152382 582791910 /nfs/dbraw/zinc/79/19/10/582791910.db2.gz DSBMSRMZBGVBMD-UHFFFAOYSA-N 1 0 207.277 0.126 20 30 BCEDRO COc1cccc(NC(=[NH2+])NCCO)c1 ZINC000104152377 582792050 /nfs/dbraw/zinc/79/20/50/582792050.db2.gz DYUNBUQIVFUPAI-UHFFFAOYSA-N 1 0 209.249 0.414 20 30 BCEDRO C[NH+]=C(NC[C@]1(C)CCOC1)NC1CC1 ZINC000849008146 582822676 /nfs/dbraw/zinc/82/26/76/582822676.db2.gz UMWCGNXRXBACNL-NSHDSACASA-N 1 0 211.309 0.740 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NCC(C)C ZINC000849017606 582827897 /nfs/dbraw/zinc/82/78/97/582827897.db2.gz WOZHRWPBGXDTFC-UHFFFAOYSA-N 1 0 247.364 0.357 20 30 BCEDRO CN1CCN(C(=O)C#CC2CC2)CC[N@H+](C)CC1 ZINC000888982318 582836107 /nfs/dbraw/zinc/83/61/07/582836107.db2.gz NVAQDFIELZIWEO-UHFFFAOYSA-N 1 0 249.358 0.106 20 30 BCEDRO CCNC(NC[C@H]1CCCNC1=O)=[NH+]CC ZINC000849041899 582839394 /nfs/dbraw/zinc/83/93/94/582839394.db2.gz ZLCJEQPJEWODDV-SECBINFHSA-N 1 0 226.324 0.088 20 30 BCEDRO CN(C)C(=[NH+]CC1(CC(N)=O)CC1)N(C)C ZINC000849043743 582839781 /nfs/dbraw/zinc/83/97/81/582839781.db2.gz GQCZJSHWWQBLGK-UHFFFAOYSA-N 1 0 226.324 0.121 20 30 BCEDRO C[NH+]=C(NCCOCC(F)(F)F)NC1CC1 ZINC000103338177 582859633 /nfs/dbraw/zinc/85/96/33/582859633.db2.gz HAOFKAPEFMYFJX-UHFFFAOYSA-N 1 0 239.241 0.893 20 30 BCEDRO C=C(CO)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000856073779 588859272 /nfs/dbraw/zinc/85/92/72/588859272.db2.gz WVHFCRPUYXBIIO-SNVBAGLBSA-N 1 0 212.293 0.135 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000856073383 588859539 /nfs/dbraw/zinc/85/95/39/588859539.db2.gz OLEQZMQBCWZNFE-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCOCC[NH2+][C@@H](C#C)[C@H]1CCCO1 ZINC000851950012 582982612 /nfs/dbraw/zinc/98/26/12/582982612.db2.gz LLODUNAQKQKJFQ-NWDGAFQWSA-N 1 0 207.273 0.407 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCCC(C)(C)[NH3+] ZINC000892852865 582997085 /nfs/dbraw/zinc/99/70/85/582997085.db2.gz DNLPDASAOQQYMO-VIFPVBQESA-N 1 0 211.309 0.777 20 30 BCEDRO C#CCCN(CCOC)C(=O)C[N@@H+](C)CCC ZINC000856388122 588871018 /nfs/dbraw/zinc/87/10/18/588871018.db2.gz KMEUKAOGHGLPLH-UHFFFAOYSA-N 1 0 240.347 0.827 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CCC([NH3+])(CC)CC1 ZINC000892931453 583011338 /nfs/dbraw/zinc/01/13/38/583011338.db2.gz QMBPHBUONHXNBJ-SNVBAGLBSA-N 1 0 223.320 0.921 20 30 BCEDRO CC[C@@H]1CN(C(=O)C#CC2CC2)C[C@H](C)[NH2+]1 ZINC000856407448 588872085 /nfs/dbraw/zinc/87/20/85/588872085.db2.gz RKPZEZQSCLHGFW-CMPLNLGQSA-N 1 0 220.316 0.999 20 30 BCEDRO CN(CC1CC1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852817314 583017532 /nfs/dbraw/zinc/01/75/32/583017532.db2.gz ACDHLLMDMKWOOQ-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO CNC(NC[C@H]1CC(=O)N(C(C)(C)C)C1)=[NH+]C ZINC000853013317 583023436 /nfs/dbraw/zinc/02/34/36/583023436.db2.gz WSWBRCDNWIKQIJ-SECBINFHSA-N 1 0 240.351 0.428 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000856489148 588873952 /nfs/dbraw/zinc/87/39/52/588873952.db2.gz KFEPZNMZUSYNDC-VXGBXAGGSA-N 1 0 238.331 0.481 20 30 BCEDRO C=CC[C@H](CO)Nc1cc(N(C)C)ncn1 ZINC000893161416 583059854 /nfs/dbraw/zinc/05/98/54/583059854.db2.gz CJNBMOQPDZJQDU-SECBINFHSA-N 1 0 222.292 0.892 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000856753412 588875983 /nfs/dbraw/zinc/87/59/83/588875983.db2.gz ZFCHQPCYHYLUDY-LLVKDONJSA-N 1 0 244.360 0.271 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1cn(CC)nn1 ZINC000893281899 583084648 /nfs/dbraw/zinc/08/46/48/583084648.db2.gz AAWUZSQHLJESDM-SNVBAGLBSA-N 1 0 224.308 0.572 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1C[C@@H](OCC)[C@@H]1OC ZINC000893283118 583084784 /nfs/dbraw/zinc/08/47/84/583084784.db2.gz JHMGFKQMMMLZSI-WUHRBBMRSA-N 1 0 243.347 0.953 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000854543243 583088191 /nfs/dbraw/zinc/08/81/91/583088191.db2.gz AAPRZXFHEHAAEE-QWRGUYRKSA-N 1 0 240.347 0.654 20 30 BCEDRO C#CCCCNC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000893303286 583094664 /nfs/dbraw/zinc/09/46/64/583094664.db2.gz MPDYMXHKBKICLD-RYUDHWBXSA-N 1 0 235.331 0.745 20 30 BCEDRO CC(=O)NCCNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000104154521 583115844 /nfs/dbraw/zinc/11/58/44/583115844.db2.gz IBDBAJPDDJFCSC-VIFPVBQESA-N 1 0 226.324 0.169 20 30 BCEDRO N#Cc1ccc2c(c1)C(=NNC1=[NH+]CCN1)CC2 ZINC000841659528 583162596 /nfs/dbraw/zinc/16/25/96/583162596.db2.gz LENONBMFKCXBCT-UHFFFAOYSA-N 1 0 239.282 0.757 20 30 BCEDRO CCc1cnccc1C(C)=NNC1=[NH+]CCN1 ZINC000841659669 583162693 /nfs/dbraw/zinc/16/26/93/583162693.db2.gz BOYSOXNETISVOP-UHFFFAOYSA-N 1 0 231.303 0.917 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]CCN2)c(OC)c1 ZINC000841660264 583165418 /nfs/dbraw/zinc/16/54/18/583165418.db2.gz FCYONIJVJHTBBN-UHFFFAOYSA-N 1 0 248.286 0.587 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NCCC#N)C1CCOCC1 ZINC000223846991 583181803 /nfs/dbraw/zinc/18/18/03/583181803.db2.gz SPBUEVPBMFBAFI-SNVBAGLBSA-N 1 0 239.319 0.421 20 30 BCEDRO C#CCC[C@@H](O)CNc1nc(N)cc(C)[nH+]1 ZINC000893674305 583193081 /nfs/dbraw/zinc/19/30/81/583193081.db2.gz ZACZJFXIXFCRGA-SECBINFHSA-N 1 0 220.276 0.553 20 30 BCEDRO CC(=O)OC[C@@H](C)[NH2+]Cc1ccc(C#N)cn1 ZINC000893869318 583241713 /nfs/dbraw/zinc/24/17/13/583241713.db2.gz WWZDRJVLXKCJQA-SECBINFHSA-N 1 0 233.271 0.994 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)NCC(C)(C)C#N ZINC000857102065 588887473 /nfs/dbraw/zinc/88/74/73/588887473.db2.gz JFUYXMFLEJRAKO-QMMMGPOBSA-N 1 0 212.297 0.573 20 30 BCEDRO C=CCN(CCOC)C(=O)NCC[C@H](C)[NH3+] ZINC000857109914 588888834 /nfs/dbraw/zinc/88/88/34/588888834.db2.gz NYVAQFKYDAYNKS-JTQLQIEISA-N 1 0 229.324 0.568 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)N1CCC(C#N)CC1 ZINC000857113389 588889669 /nfs/dbraw/zinc/88/96/69/588889669.db2.gz UJDTZNYMEGJSMD-VIFPVBQESA-N 1 0 224.308 0.669 20 30 BCEDRO C=C(Cl)CNC(=O)NCC[C@H](C)[NH3+] ZINC000857112335 588889784 /nfs/dbraw/zinc/88/97/84/588889784.db2.gz AFJQKRHLAOEBLA-ZETCQYMHSA-N 1 0 205.689 0.775 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NCC[C@H](C)[NH3+] ZINC000857114339 588890087 /nfs/dbraw/zinc/89/00/87/588890087.db2.gz SBAUEZNTOYJWMZ-IUCAKERBSA-N 1 0 212.297 0.525 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000894107571 583307472 /nfs/dbraw/zinc/30/74/72/583307472.db2.gz FSPGZSYUOZHSJQ-OUAUKWLOSA-N 1 0 236.319 0.492 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cn(C)nc2Cl)N1 ZINC000857211372 588893699 /nfs/dbraw/zinc/89/36/99/588893699.db2.gz HMQRXYJQNXWWTC-LURJTMIESA-N 1 0 240.698 0.345 20 30 BCEDRO Cn1ccc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)n1 ZINC000857237954 588900762 /nfs/dbraw/zinc/90/07/62/588900762.db2.gz YEUUSJOCEWSCFP-NSHDSACASA-N 1 0 236.319 0.810 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000894272662 583403449 /nfs/dbraw/zinc/40/34/49/583403449.db2.gz ZVLJYIWEDLSNLG-RYUDHWBXSA-N 1 0 235.331 0.745 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000894461122 583466639 /nfs/dbraw/zinc/46/66/39/583466639.db2.gz NHZNOJZMRCWGOP-IWSPIJDZSA-N 1 0 249.257 0.567 20 30 BCEDRO CCC(CC)[NH2+]CCNC(=O)NCCC#N ZINC000894484997 583470927 /nfs/dbraw/zinc/47/09/27/583470927.db2.gz JOGLESFFLXGZJI-UHFFFAOYSA-N 1 0 226.324 0.977 20 30 BCEDRO C[C@H]1CC[N@H+](CCNC(=O)NCCC#N)C1 ZINC000894486111 583471661 /nfs/dbraw/zinc/47/16/61/583471661.db2.gz RZQMRIXWAGMOME-JTQLQIEISA-N 1 0 224.308 0.541 20 30 BCEDRO C#C[C@H](C)[NH2+]C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894737541 583514642 /nfs/dbraw/zinc/51/46/42/583514642.db2.gz BXJJHFILVLPORF-FXQIFTODSA-N 1 0 217.215 0.652 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@@H](C)COC(C)=O ZINC000894770021 583516780 /nfs/dbraw/zinc/51/67/80/583516780.db2.gz SEDMNWGGULNDSR-ONGXEEELSA-N 1 0 215.293 0.855 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000894863793 583536110 /nfs/dbraw/zinc/53/61/10/583536110.db2.gz TVNLTNRBDWRTFJ-GFCCVEGCSA-N 1 0 237.347 0.200 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@H]2COCO2)n1 ZINC000894880256 583543777 /nfs/dbraw/zinc/54/37/77/583543777.db2.gz BEZBGOLPXFPGSE-NSHDSACASA-N 1 0 219.244 0.416 20 30 BCEDRO C#C[C@H](CC)NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000894937619 583558482 /nfs/dbraw/zinc/55/84/82/583558482.db2.gz RTEGJSQZKJRPLW-QJPTWQEYSA-N 1 0 235.331 0.744 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]CCC(C)(C)C(=O)OC ZINC000895097696 583588408 /nfs/dbraw/zinc/58/84/08/583588408.db2.gz VPQUMNKSVGFXRS-LLVKDONJSA-N 1 0 241.331 0.940 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H](C)COCCOC ZINC000895130669 583600694 /nfs/dbraw/zinc/60/06/94/583600694.db2.gz AOMKZOYDXQDIFD-VXGBXAGGSA-N 1 0 229.320 0.402 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)COCCOC ZINC000895130666 583600711 /nfs/dbraw/zinc/60/07/11/583600711.db2.gz AOMKZOYDXQDIFD-NWDGAFQWSA-N 1 0 229.320 0.402 20 30 BCEDRO Cc1cnccc1C[NH2+][C@H]1CCCN(O)C1=O ZINC000895158630 583608189 /nfs/dbraw/zinc/60/81/89/583608189.db2.gz LFGHPQGHDKTYIZ-NSHDSACASA-N 1 0 235.287 0.860 20 30 BCEDRO CO[C@H](C[NH2+][C@@H]1CCCN(O)C1=O)C1CC1 ZINC000895158395 583608346 /nfs/dbraw/zinc/60/83/46/583608346.db2.gz ZRRIIANINXWSPR-NXEZZACHSA-N 1 0 228.292 0.381 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)C[C@H](C)O1 ZINC000895158718 583608687 /nfs/dbraw/zinc/60/86/87/583608687.db2.gz NCLMFQLPNGUSCS-ZDCRXTMVSA-N 1 0 242.319 0.912 20 30 BCEDRO O=C1[C@H]([NH2+]C[C@@H]2CCSC2)CCCN1O ZINC000895159449 583608700 /nfs/dbraw/zinc/60/87/00/583608700.db2.gz FSLBVOYXFHJUCB-DTWKUNHWSA-N 1 0 230.333 0.709 20 30 BCEDRO C[C@@H]1C[C@H](N[C@H]2CCCN(O)C2=O)CC[N@@H+]1C ZINC000895159421 583609024 /nfs/dbraw/zinc/60/90/24/583609024.db2.gz VMCBYLAIGUBPEY-MXWKQRLJSA-N 1 0 241.335 0.439 20 30 BCEDRO CO[C@@H]1CCC[C@@H]([NH2+][C@H]2CCCN(O)C2=O)C1 ZINC000895159947 583609278 /nfs/dbraw/zinc/60/92/78/583609278.db2.gz JDMDMELCCSLFNQ-MXWKQRLJSA-N 1 0 242.319 0.914 20 30 BCEDRO O=C1[C@H]([NH2+]C[C@H]2CCC=CO2)CCCN1O ZINC000895161848 583610273 /nfs/dbraw/zinc/61/02/73/583610273.db2.gz VBOXHBSNPSVUBL-NXEZZACHSA-N 1 0 226.276 0.649 20 30 BCEDRO COCC[C@H](C)[NH2+][C@H]1CCCN(O)C1=O ZINC000895161826 583610646 /nfs/dbraw/zinc/61/06/46/583610646.db2.gz UUYOVYMJYNRUHH-IUCAKERBSA-N 1 0 216.281 0.381 20 30 BCEDRO C[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CCCN(O)C1=O ZINC000895162854 583610896 /nfs/dbraw/zinc/61/08/96/583610896.db2.gz OHRSRKBNPLDIPH-XHNCKOQMSA-N 1 0 214.265 0.134 20 30 BCEDRO O=C1[C@H]([NH2+][C@H]2CCCSC2)CCCN1O ZINC000895163026 583611290 /nfs/dbraw/zinc/61/12/90/583611290.db2.gz PMZABBGCRKUPAM-DTWKUNHWSA-N 1 0 230.333 0.852 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](Nc2cc(=O)[nH]cn2)C1 ZINC000895200254 583624074 /nfs/dbraw/zinc/62/40/74/583624074.db2.gz FIYCODMYMRWRSZ-JTQLQIEISA-N 1 0 232.287 0.692 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H](C)CC[NH3+])[C@H]1CCCO1 ZINC000841882163 583626569 /nfs/dbraw/zinc/62/65/69/583626569.db2.gz WXZBYWUVNLBCOL-GARJFASQSA-N 1 0 239.319 0.204 20 30 BCEDRO C[NH+](C)CC(=O)NCCNc1ccc(C#N)cn1 ZINC000727370578 583634837 /nfs/dbraw/zinc/63/48/37/583634837.db2.gz PZMLXPDAZNTXCB-UHFFFAOYSA-N 1 0 247.302 0.043 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1cnc[nH]1)C1CCOCC1 ZINC000895333202 583652143 /nfs/dbraw/zinc/65/21/43/583652143.db2.gz ZXQXLBOLLNUOHY-GFCCVEGCSA-N 1 0 219.288 0.928 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](OC)C1CCOCC1 ZINC000895340304 583654356 /nfs/dbraw/zinc/65/43/56/583654356.db2.gz OMTXRENODYEBQO-VXGBXAGGSA-N 1 0 229.320 0.565 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1c(C)ccnc1N ZINC000895340284 583654698 /nfs/dbraw/zinc/65/46/98/583654698.db2.gz NVAKECFDUAQCMI-SECBINFHSA-N 1 0 207.277 0.609 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000895415482 583667248 /nfs/dbraw/zinc/66/72/48/583667248.db2.gz NEFYWIZIALWXBF-IJLUTSLNSA-N 1 0 239.315 0.956 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)CCO)C1CCOCC1 ZINC000895436200 583674514 /nfs/dbraw/zinc/67/45/14/583674514.db2.gz QDCFOJQHCOUVIU-JQWIXIFHSA-N 1 0 211.305 0.775 20 30 BCEDRO C=CCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000895474725 583679634 /nfs/dbraw/zinc/67/96/34/583679634.db2.gz YAUOTXSIPZEWSN-SNVBAGLBSA-N 1 0 210.277 0.009 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000895490996 583680755 /nfs/dbraw/zinc/68/07/55/583680755.db2.gz XIQLWEOVODXJFE-XQHKEYJVSA-N 1 0 235.327 0.918 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000895490641 583681027 /nfs/dbraw/zinc/68/10/27/583681027.db2.gz RLPMFGBMFKZLQH-GRYCIOLGSA-N 1 0 238.331 0.408 20 30 BCEDRO C=C(C)CONC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000895579372 583694696 /nfs/dbraw/zinc/69/46/96/583694696.db2.gz QEMRXBRPPGLZDT-WDEREUQCSA-N 1 0 239.319 0.840 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000895679878 583705635 /nfs/dbraw/zinc/70/56/35/583705635.db2.gz RMQIDWRDERAYED-GHMZBOCLSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCSCC(=O)NC[C@H](C)[NH+](C)C ZINC000895682243 583708915 /nfs/dbraw/zinc/70/89/15/583708915.db2.gz UPHSGEOXHKWSJD-VIFPVBQESA-N 1 0 214.334 0.419 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000895747725 583716513 /nfs/dbraw/zinc/71/65/13/583716513.db2.gz JIULWWHYRMLXOW-CHWSQXEVSA-N 1 0 249.358 0.342 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C2CC(OC)C2)C1 ZINC000895746665 583716780 /nfs/dbraw/zinc/71/67/80/583716780.db2.gz BFTDGGHDYHPALR-HIFPTAJRSA-N 1 0 222.332 0.851 20 30 BCEDRO C#CC[NH+]1CCC(Nc2nccn(C)c2=O)CC1 ZINC000895808577 583729686 /nfs/dbraw/zinc/72/96/86/583729686.db2.gz KQVZJCAHTVEWGP-UHFFFAOYSA-N 1 0 246.314 0.290 20 30 BCEDRO C#CC[NH+]1CCC(Nc2nc(C)nc(N)n2)CC1 ZINC000895811891 583733135 /nfs/dbraw/zinc/73/31/35/583733135.db2.gz KGFWOFUQNYLZSF-UHFFFAOYSA-N 1 0 246.318 0.272 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)COCCOC ZINC000896035045 583764646 /nfs/dbraw/zinc/76/46/46/583764646.db2.gz NIEXVRRJGMSCBQ-RYUDHWBXSA-N 1 0 231.336 0.955 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)COC(C)=O)C1 ZINC000896042926 583766870 /nfs/dbraw/zinc/76/68/70/583766870.db2.gz JBJNFXLRZUWDAP-YPMHNXCESA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)COC(C)=O)C1 ZINC000896042924 583766991 /nfs/dbraw/zinc/76/69/91/583766991.db2.gz JBJNFXLRZUWDAP-DGCLKSJQSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCCNC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000896348023 583795828 /nfs/dbraw/zinc/79/58/28/583795828.db2.gz UNTKBTCPQAXBEE-SNVBAGLBSA-N 1 0 208.305 0.999 20 30 BCEDRO CN1CC[C@H]1C[NH2+]Cc1cccc(C#N)n1 ZINC000896595841 583816991 /nfs/dbraw/zinc/81/69/91/583816991.db2.gz PTGATJQQTFMRKR-LBPRGKRZSA-N 1 0 216.288 0.747 20 30 BCEDRO C#CCCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896701335 583822956 /nfs/dbraw/zinc/82/29/56/583822956.db2.gz LQOPJACMRMERMC-LBPRGKRZSA-N 1 0 236.315 0.237 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000115958385 588938578 /nfs/dbraw/zinc/93/85/78/588938578.db2.gz AESRYGUULMBZGL-NSHDSACASA-N 1 0 224.352 0.880 20 30 BCEDRO CON=CC(=O)NCc1nc(C)c(C)[nH]1 ZINC000896910943 583853024 /nfs/dbraw/zinc/85/30/24/583853024.db2.gz VAZSLXMDXNQVOS-UHFFFAOYSA-N 1 0 210.237 0.275 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000858089135 588931504 /nfs/dbraw/zinc/93/15/04/588931504.db2.gz HPFWRZTZYAOYDC-NSHDSACASA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000897175474 583887942 /nfs/dbraw/zinc/88/79/42/583887942.db2.gz TVUIEHXXGOSXHZ-LBPRGKRZSA-N 1 0 232.327 0.954 20 30 BCEDRO C=CCONC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000841913011 583903333 /nfs/dbraw/zinc/90/33/33/583903333.db2.gz FTCFDIXASWNZLU-RKDXNWHRSA-N 1 0 213.281 0.496 20 30 BCEDRO C=CCONC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000841913879 583906306 /nfs/dbraw/zinc/90/63/06/583906306.db2.gz WIKNTDSPEUOAOA-JTQLQIEISA-N 1 0 227.308 0.874 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000872205291 583948666 /nfs/dbraw/zinc/94/86/66/583948666.db2.gz AASURGNBVHWCBN-SNVBAGLBSA-N 1 0 217.309 0.301 20 30 BCEDRO C[C@H]1CNC(NN=C2CCC23CCOCC3)=[NH+]1 ZINC000799885036 583969184 /nfs/dbraw/zinc/96/91/84/583969184.db2.gz YDOPZPVNNCNOLJ-VIFPVBQESA-N 1 0 236.319 0.870 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1ncc[nH]1 ZINC000858333477 588946522 /nfs/dbraw/zinc/94/65/22/588946522.db2.gz HPKOQFUTFHDJLI-SNVBAGLBSA-N 1 0 207.277 0.928 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1cncn1C ZINC000858333534 588946559 /nfs/dbraw/zinc/94/65/59/588946559.db2.gz JFOSOWMGSGMEPH-LLVKDONJSA-N 1 0 221.304 0.938 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cncnc1 ZINC000858333525 588946670 /nfs/dbraw/zinc/94/66/70/588946670.db2.gz JCMBKYBGKIFNSY-LBPRGKRZSA-N 1 0 219.288 0.995 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000897465966 583988681 /nfs/dbraw/zinc/98/86/81/583988681.db2.gz LQZBTDXQHSCJIP-GHMZBOCLSA-N 1 0 241.335 0.174 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000897465967 583988692 /nfs/dbraw/zinc/98/86/92/583988692.db2.gz LQZBTDXQHSCJIP-WDEREUQCSA-N 1 0 241.335 0.174 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N[C@@H]1C[C@H]1C ZINC000864461673 584007360 /nfs/dbraw/zinc/00/73/60/584007360.db2.gz FUNCPHNZDOWEFI-RKDXNWHRSA-N 1 0 245.348 0.110 20 30 BCEDRO C=CC[N@@H+](CCCS(N)(=O)=O)C(C)C ZINC000729473849 584015225 /nfs/dbraw/zinc/01/52/25/584015225.db2.gz WBQWBFKGMBBNBV-UHFFFAOYSA-N 1 0 220.338 0.561 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897581268 584021987 /nfs/dbraw/zinc/02/19/87/584021987.db2.gz LQOCWLSSZQSCCR-JQWIXIFHSA-N 1 0 236.315 0.187 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897581270 584022138 /nfs/dbraw/zinc/02/21/38/584022138.db2.gz LQOCWLSSZQSCCR-ZYHUDNBSSA-N 1 0 236.315 0.187 20 30 BCEDRO C=CCCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897608684 584029048 /nfs/dbraw/zinc/02/90/48/584029048.db2.gz XOPHVMHUNURSIM-GFCCVEGCSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH+]1CCC(NC(=S)NC)CC1 ZINC000729942606 584030822 /nfs/dbraw/zinc/03/08/22/584030822.db2.gz PCPCTFKWTXPOCX-UHFFFAOYSA-N 1 0 213.350 0.731 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NC[C@H]1COCCN1C ZINC000858394807 588951053 /nfs/dbraw/zinc/95/10/53/588951053.db2.gz ATFXAXNCBKLPPJ-QWRGUYRKSA-N 1 0 239.319 0.028 20 30 BCEDRO C#CCSCC(=O)N[C@@H](C)C[NH+](C)C ZINC000897759983 584044576 /nfs/dbraw/zinc/04/45/76/584044576.db2.gz DVCPQBGQYAMZRS-VIFPVBQESA-N 1 0 214.334 0.419 20 30 BCEDRO C#CCSCC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000899021590 584169748 /nfs/dbraw/zinc/16/97/48/584169748.db2.gz PEIZHGGLJQRVEP-NSHDSACASA-N 1 0 240.372 0.809 20 30 BCEDRO C#CC1(O)CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000899114605 584176142 /nfs/dbraw/zinc/17/61/42/584176142.db2.gz UURFUSADWIPOBG-LLVKDONJSA-N 1 0 236.315 0.067 20 30 BCEDRO C#CCNC(=O)N1CC[C@@]2(C1)CCCC[NH2+]2 ZINC000899245057 584186503 /nfs/dbraw/zinc/18/65/03/584186503.db2.gz KJGPBTKKNRYZDM-GFCCVEGCSA-N 1 0 221.304 0.547 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000899248066 584187944 /nfs/dbraw/zinc/18/79/44/584187944.db2.gz LTTWNQPKQQYUSG-GXSJLCMTSA-N 1 0 207.277 0.142 20 30 BCEDRO C#CCNC(=O)N[C@]12CCC[C@H]1C[NH2+]C2 ZINC000899248608 584188021 /nfs/dbraw/zinc/18/80/21/584188021.db2.gz XZEYNGHKBUQTAG-ONGXEEELSA-N 1 0 207.277 0.061 20 30 BCEDRO CNC(NCc1cc(C(F)(F)F)nn1C)=[NH+]C ZINC000899262836 584190394 /nfs/dbraw/zinc/19/03/94/584190394.db2.gz RRBHTJAEFXFOER-UHFFFAOYSA-N 1 0 249.240 0.734 20 30 BCEDRO CNC(NCCc1cccc2c1OCCO2)=[NH+]C ZINC000899262450 584190485 /nfs/dbraw/zinc/19/04/85/584190485.db2.gz LMNUUFYIHGVDAF-UHFFFAOYSA-N 1 0 249.314 0.795 20 30 BCEDRO CCNC(NCc1cnn(CCF)c1)=[NH+]CC ZINC000899262914 584190501 /nfs/dbraw/zinc/19/05/01/584190501.db2.gz VEOMEZLHEKDZED-UHFFFAOYSA-N 1 0 241.314 0.928 20 30 BCEDRO CNC(NCc1nc(C#N)cs1)=[NH+]C ZINC000899262604 584190508 /nfs/dbraw/zinc/19/05/08/584190508.db2.gz NZROWJLZUVALTL-UHFFFAOYSA-N 1 0 209.278 0.310 20 30 BCEDRO CNC(NC[C@@H]1C[C@H]1C(F)(F)F)=[NH+]C ZINC000899262005 584190544 /nfs/dbraw/zinc/19/05/44/584190544.db2.gz DVWUISUDAUSYJF-NTSWFWBYSA-N 1 0 209.215 0.980 20 30 BCEDRO CCNC(NCCO[C@@H]1CCOC1)=[NH+]CC ZINC000899261930 584190591 /nfs/dbraw/zinc/19/05/91/584190591.db2.gz CPZWLOPETYZZHT-SNVBAGLBSA-N 1 0 229.324 0.367 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899271007 584191447 /nfs/dbraw/zinc/19/14/47/584191447.db2.gz RTGHVDVPXYDFNL-MRVPVSSYSA-N 1 0 224.308 0.201 20 30 BCEDRO C=CCNC(=S)NC[C@@H](C[NH+](C)C)OCC ZINC000899565096 584219757 /nfs/dbraw/zinc/21/97/57/584219757.db2.gz ALTAONRKPPCTOC-JTQLQIEISA-N 1 0 245.392 0.603 20 30 BCEDRO C#Cc1ccc(C(=O)NCC[N@H+](C)CCO)cc1 ZINC000899741987 584234692 /nfs/dbraw/zinc/23/46/92/584234692.db2.gz YITYKJCLSOAUAT-UHFFFAOYSA-N 1 0 246.310 0.322 20 30 BCEDRO N#CCC1C[NH+](C[C@@H](O)C2(O)CCC2)C1 ZINC000899892143 584248916 /nfs/dbraw/zinc/24/89/16/584248916.db2.gz NTLSHYGUWBWUET-SNVBAGLBSA-N 1 0 210.277 0.108 20 30 BCEDRO N#CC[C@@]1(O)CCN(c2cc[nH+]c(CO)c2)C1 ZINC000858600880 588970147 /nfs/dbraw/zinc/97/01/47/588970147.db2.gz USLSPWIOJLPBAU-GFCCVEGCSA-N 1 0 233.271 0.429 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1CCOCC1 ZINC000900281130 584291372 /nfs/dbraw/zinc/29/13/72/584291372.db2.gz HONIZBOTVZTHSI-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO CCN(CCC#N)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900325368 584295020 /nfs/dbraw/zinc/29/50/20/584295020.db2.gz BYFPYYJXMIVXQE-CMPLNLGQSA-N 1 0 239.319 0.204 20 30 BCEDRO C[C@H](CC#N)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000900432180 584308792 /nfs/dbraw/zinc/30/87/92/584308792.db2.gz BZAZUMTYORLRES-ZYHUDNBSSA-N 1 0 239.319 0.252 20 30 BCEDRO CN(CC#N)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900452536 584312754 /nfs/dbraw/zinc/31/27/54/584312754.db2.gz OPAKKHBNLSDAQA-GHMZBOCLSA-N 1 0 221.304 0.985 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCCOC1 ZINC000900604603 584330887 /nfs/dbraw/zinc/33/08/87/584330887.db2.gz DPIUTQWEDGKNJR-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC[S@](=O)CC ZINC000900646360 584335230 /nfs/dbraw/zinc/33/52/30/584335230.db2.gz AHYMMJXVZABZTN-MRXNPFEDSA-N 1 0 246.376 0.379 20 30 BCEDRO C[C@H](C#N)CNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900648667 584335465 /nfs/dbraw/zinc/33/54/65/584335465.db2.gz IXGUTULTQXAPBG-PWSUYJOCSA-N 1 0 239.319 0.109 20 30 BCEDRO C#CCC(CC#C)C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000900666915 584337613 /nfs/dbraw/zinc/33/76/13/584337613.db2.gz QHWQPCPVYJASLJ-AAEUAGOBSA-N 1 0 232.327 0.858 20 30 BCEDRO C#CC(C)(C)NC(=O)C[N@@H+](C)C1CCC1 ZINC000900702425 584342614 /nfs/dbraw/zinc/34/26/14/584342614.db2.gz ASSXPMWGZPZDAA-UHFFFAOYSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC(C)(C)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000900704547 584343268 /nfs/dbraw/zinc/34/32/68/584343268.db2.gz XSQIUXLJPLKDOS-NSHDSACASA-N 1 0 236.315 0.235 20 30 BCEDRO C#CC(C)(C)NC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000900704460 584343430 /nfs/dbraw/zinc/34/34/30/584343430.db2.gz VUXFVXQFDVGIMH-ZDUSSCGKSA-N 1 0 238.331 0.361 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)Cc1cn[nH]c1 ZINC000900712788 584343823 /nfs/dbraw/zinc/34/38/23/584343823.db2.gz BYWOJDFVBXEZMQ-UHFFFAOYSA-N 1 0 236.319 0.876 20 30 BCEDRO C#CCSCCNC(=O)CNc1ccccn1 ZINC000900795367 584352587 /nfs/dbraw/zinc/35/25/87/584352587.db2.gz NOJVTCAVNNJOME-UHFFFAOYSA-N 1 0 249.339 0.976 20 30 BCEDRO C#CCSCCNC(=O)C12CC[NH+](CC1)C2 ZINC000900795815 584352832 /nfs/dbraw/zinc/35/28/32/584352832.db2.gz SKCWUPUILQKGTI-UHFFFAOYSA-N 1 0 238.356 0.565 20 30 BCEDRO C#CCN(CC#CC)C(=O)C12CC[NH+](CC1)C2 ZINC000900854717 584357492 /nfs/dbraw/zinc/35/74/92/584357492.db2.gz CARGOCZANSTIQQ-UHFFFAOYSA-N 1 0 230.311 0.567 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@H](O)C1CC1 ZINC000901004305 584374014 /nfs/dbraw/zinc/37/40/14/584374014.db2.gz NNCROXDIKQOGQC-LBPRGKRZSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000901020123 584377285 /nfs/dbraw/zinc/37/72/85/584377285.db2.gz RZSPPEBDZGYMAZ-IQJOONFLSA-N 1 0 212.293 0.132 20 30 BCEDRO C#CCCCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000901034326 584376385 /nfs/dbraw/zinc/37/63/85/584376385.db2.gz JNGHGBIWRITOPX-DGCLKSJQSA-N 1 0 238.331 0.361 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](O)C1CC1 ZINC000901045482 584376605 /nfs/dbraw/zinc/37/66/05/584376605.db2.gz PRPYCVWDUYTLHD-NSHDSACASA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@H](C)NC(=O)c1ccnn1CC[NH+](C)C ZINC000901020133 584377511 /nfs/dbraw/zinc/37/75/11/584377511.db2.gz SEKLDMOYKAGQCO-JTQLQIEISA-N 1 0 236.319 0.749 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)C[N@H+](C)C1CCC1 ZINC000901052586 584379279 /nfs/dbraw/zinc/37/92/79/584379279.db2.gz QKVOOUYTRDKWJJ-LBPRGKRZSA-N 1 0 239.319 0.516 20 30 BCEDRO CC[C@@H](C(=O)N[C@](C)(C#N)COC)[NH+](C)C ZINC000901057168 584379874 /nfs/dbraw/zinc/37/98/74/584379874.db2.gz XQBVWLGPUHTVPS-GXSJLCMTSA-N 1 0 227.308 0.371 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(CO)CC1 ZINC000901140349 584389972 /nfs/dbraw/zinc/38/99/72/584389972.db2.gz KFMZTFVSGFLEFC-UHFFFAOYSA-N 1 0 240.347 0.725 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)CC(C)=O ZINC000901170360 584395295 /nfs/dbraw/zinc/39/52/95/584395295.db2.gz APJYPSIAYFFWCF-SNVBAGLBSA-N 1 0 226.320 0.978 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccnn2C2CCC2)N1 ZINC000901215085 584401245 /nfs/dbraw/zinc/40/12/45/584401245.db2.gz HCTBUEKLEUWVOG-SECBINFHSA-N 1 0 246.318 0.879 20 30 BCEDRO Cn1nccc1N=NC1CC[NH+](CCO)CC1 ZINC000901219704 584402892 /nfs/dbraw/zinc/40/28/92/584402892.db2.gz CKEMDJMRIMEQFK-UHFFFAOYSA-N 1 0 237.307 0.276 20 30 BCEDRO CC(=NNCC(F)(F)F)c1c[nH]c(N)[nH+]1 ZINC000901220194 584403082 /nfs/dbraw/zinc/40/30/82/584403082.db2.gz LTZUHNOYZCJAGT-UHFFFAOYSA-N 1 0 221.186 0.868 20 30 BCEDRO CC(=NNCCc1ccccn1)c1c[nH]c(N)[nH+]1 ZINC000901235033 584404968 /nfs/dbraw/zinc/40/49/68/584404968.db2.gz SQHBMJJGHFMTTF-UHFFFAOYSA-N 1 0 244.302 0.943 20 30 BCEDRO CC[C@@H](O)CNN=C(C)c1c[nH]c(N)[nH+]1 ZINC000901238328 584405863 /nfs/dbraw/zinc/40/58/63/584405863.db2.gz BKZOAYWJTDVKAF-SSDOTTSWSA-N 1 0 211.269 0.076 20 30 BCEDRO C#CCCOC(=O)N1CCC[N@@H+](C)CC1 ZINC000858876394 588980971 /nfs/dbraw/zinc/98/09/71/588980971.db2.gz YSYDLVNBSUIGDB-UHFFFAOYSA-N 1 0 210.277 0.784 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)c1ncon1 ZINC000901270182 584418947 /nfs/dbraw/zinc/41/89/47/584418947.db2.gz XKXPSPVQMVAROC-VIFPVBQESA-N 1 0 238.291 0.755 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)C1CC1 ZINC000901307356 584420264 /nfs/dbraw/zinc/42/02/64/584420264.db2.gz OFBAEAFLGFHJHM-UHFFFAOYSA-N 1 0 224.304 0.590 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCc1cnccn1 ZINC000901326104 584430515 /nfs/dbraw/zinc/43/05/15/584430515.db2.gz PSTOCFSUPIMSOO-UHFFFAOYSA-N 1 0 248.330 0.643 20 30 BCEDRO C=C(C)CN(C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901349202 584430985 /nfs/dbraw/zinc/43/09/85/584430985.db2.gz GQFCYRVOMAICCS-ZDUSSCGKSA-N 1 0 240.347 0.868 20 30 BCEDRO C#CCCOC(=O)N1CCC[N@@H+](CCO)CC1 ZINC000859002523 588990151 /nfs/dbraw/zinc/99/01/51/588990151.db2.gz XGHGZTUXUZWPBG-UHFFFAOYSA-N 1 0 240.303 0.146 20 30 BCEDRO C=CCN(C)CN1C[C@@]2(CCCOC2)C1=O ZINC000902228611 584541684 /nfs/dbraw/zinc/54/16/84/584541684.db2.gz KOAWQYRTWLYZSG-GFCCVEGCSA-N 1 0 224.304 0.701 20 30 BCEDRO C#CCN(CN1CCC1=O)C1CC[NH+](C)CC1 ZINC000902540264 584628854 /nfs/dbraw/zinc/62/88/54/584628854.db2.gz SHCNPQJJLTUVKG-UHFFFAOYSA-N 1 0 235.331 0.206 20 30 BCEDRO C#CCCOC(=O)NCC1=CC[N@H+](C)CC1 ZINC000859097580 589001039 /nfs/dbraw/zinc/00/10/39/589001039.db2.gz OIOKCRVRXXNEPQ-UHFFFAOYSA-N 1 0 222.288 0.998 20 30 BCEDRO C#CCCOC(=O)N[C@H](C)[C@@H]1CN(C)CCO1 ZINC000859073316 588997209 /nfs/dbraw/zinc/99/72/09/588997209.db2.gz VVSNRXTUXIEXHT-MNOVXSKESA-N 1 0 240.303 0.455 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CC(=O)N(C)C1)c1cc(C#N)ccn1 ZINC000902784063 584666307 /nfs/dbraw/zinc/66/63/07/584666307.db2.gz MYESTBJKGLRQDP-GXSJLCMTSA-N 1 0 244.298 0.835 20 30 BCEDRO C[C@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(C#N)ccn1 ZINC000902784066 584666484 /nfs/dbraw/zinc/66/64/84/584666484.db2.gz MYESTBJKGLRQDP-ONGXEEELSA-N 1 0 244.298 0.835 20 30 BCEDRO C[C@@H](CO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902820629 584675623 /nfs/dbraw/zinc/67/56/23/584675623.db2.gz CZXRHLRPIULQQE-IUCAKERBSA-N 1 0 205.261 0.985 20 30 BCEDRO C#CCCOC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000859076928 588998033 /nfs/dbraw/zinc/99/80/33/588998033.db2.gz MVBMSKDMHWAJDN-LLVKDONJSA-N 1 0 228.292 0.049 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)CCO)CC1 ZINC000902853333 584685040 /nfs/dbraw/zinc/68/50/40/584685040.db2.gz HSYMOQIYTCTROM-UHFFFAOYSA-N 1 0 212.293 0.135 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2nc(C)no2)CC1 ZINC000902945956 584696214 /nfs/dbraw/zinc/69/62/14/584696214.db2.gz UBPSUVDRKXDDAO-UHFFFAOYSA-N 1 0 248.286 0.205 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2ncc(C)o2)CC1 ZINC000902944643 584696369 /nfs/dbraw/zinc/69/63/69/584696369.db2.gz HYGKNDUVFUMCCW-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](Nc2ncccn2)C1 ZINC000903020920 584720889 /nfs/dbraw/zinc/72/08/89/584720889.db2.gz IWOIFEDXBKGMRA-VXGBXAGGSA-N 1 0 248.330 0.900 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](Nc2ncccn2)C1 ZINC000903020919 584721018 /nfs/dbraw/zinc/72/10/18/584721018.db2.gz IWOIFEDXBKGMRA-RYUDHWBXSA-N 1 0 248.330 0.900 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCC[C@@H]1OC ZINC000903147628 584732331 /nfs/dbraw/zinc/73/23/31/584732331.db2.gz LUZPKPPZADAESI-MNOVXSKESA-N 1 0 247.360 0.744 20 30 BCEDRO N#CC1(C[NH2+][C@@H]2CCO[C@@]23CCOC3)CC1 ZINC000903219087 584737792 /nfs/dbraw/zinc/73/77/92/584737792.db2.gz DJIXPRNXRFMTFQ-ZYHUDNBSSA-N 1 0 222.288 0.828 20 30 BCEDRO N#CC1(C[NH2+][C@H]2CCO[C@]23CCOC3)CC1 ZINC000903219085 584737805 /nfs/dbraw/zinc/73/78/05/584737805.db2.gz DJIXPRNXRFMTFQ-JQWIXIFHSA-N 1 0 222.288 0.828 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]C[C@]1(CO)COCCN1C ZINC000903277974 584742546 /nfs/dbraw/zinc/74/25/46/584742546.db2.gz KEAWOPTVTKRWEO-OLZOCXBDSA-N 1 0 242.363 0.624 20 30 BCEDRO N#Cc1sccc1S(=O)(=O)NCCC[NH3+] ZINC000903479836 584778284 /nfs/dbraw/zinc/77/82/84/584778284.db2.gz IBIWYQXENCHEOS-UHFFFAOYSA-N 1 0 245.329 0.247 20 30 BCEDRO N#C[C@H]1CCCN(C[C@@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000903563703 584782260 /nfs/dbraw/zinc/78/22/60/584782260.db2.gz JXXKJXCWNKFLQJ-NEPJUHHUSA-N 1 0 235.331 0.743 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@H]([NH3+])C(C)(C)C2)C1=O ZINC000903557435 584782977 /nfs/dbraw/zinc/78/29/77/584782977.db2.gz OHHPVKTYCPODQZ-QWRGUYRKSA-N 1 0 237.347 0.442 20 30 BCEDRO C[C@]1(C#N)CN(C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903825090 584804299 /nfs/dbraw/zinc/80/42/99/584804299.db2.gz YEJBGPFTNIPKSR-OLZOCXBDSA-N 1 0 237.347 0.991 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC[C@@]23CC[NH2+]C3)C1=O ZINC000903870585 584814428 /nfs/dbraw/zinc/81/44/28/584814428.db2.gz NTBODWVKXUHHEY-OCCSQVGLSA-N 1 0 249.358 0.601 20 30 BCEDRO C=CCC[C@H](O)CN1CC[NH2+]C[C@H]1COC ZINC000903881024 584817448 /nfs/dbraw/zinc/81/74/48/584817448.db2.gz BARLYYSMBVYZCG-RYUDHWBXSA-N 1 0 228.336 0.234 20 30 BCEDRO COC[C@H]1C[NH2+]CCN1Cc1ccccc1C#N ZINC000903881573 584817733 /nfs/dbraw/zinc/81/77/33/584817733.db2.gz RUPJPFQYZSODJB-CQSZACIVSA-N 1 0 245.326 0.978 20 30 BCEDRO COC[C@@H]1C[NH2+]CCN1Cc1ccccc1C#N ZINC000903881572 584818077 /nfs/dbraw/zinc/81/80/77/584818077.db2.gz RUPJPFQYZSODJB-AWEZNQCLSA-N 1 0 245.326 0.978 20 30 BCEDRO N#C[C@H]1CCCN(CC23CC(C2)C[NH2+]3)C1 ZINC000903987369 584836028 /nfs/dbraw/zinc/83/60/28/584836028.db2.gz DMOPPIMHHROXFH-VOMCLLRMSA-N 1 0 205.305 0.974 20 30 BCEDRO CCC(C#N)(CC)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801914 584887157 /nfs/dbraw/zinc/88/71/57/584887157.db2.gz KHQWHVKKSYOKQP-UWVGGRQHSA-N 1 0 234.303 0.544 20 30 BCEDRO CC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CC(F)(F)C1 ZINC000876803894 584887186 /nfs/dbraw/zinc/88/71/86/584887186.db2.gz YUODRKMIRNEQHT-YUMQZZPRSA-N 1 0 243.257 0.650 20 30 BCEDRO C[C@H](CC(=O)N[C@H]1C[NH2+]C[C@H]1C#N)C(F)(F)F ZINC000876803605 584887339 /nfs/dbraw/zinc/88/73/39/584887339.db2.gz XLIYXDNWEZVVCA-PRJMDXOYSA-N 1 0 249.236 0.803 20 30 BCEDRO CC(C)(C)C#CC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000876980580 584888619 /nfs/dbraw/zinc/88/86/19/584888619.db2.gz JHUKBUUSJKORQJ-GFCCVEGCSA-N 1 0 208.305 0.904 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC[C@@H](C)[NH+](C)C ZINC000730276038 584898011 /nfs/dbraw/zinc/89/80/11/584898011.db2.gz FKVZNHJIVTYOOY-NEPJUHHUSA-N 1 0 237.347 0.150 20 30 BCEDRO C[C@H](CO)N(C)N=C1CC[N@H+](C)[C@@H](C)C1 ZINC000842541399 584901839 /nfs/dbraw/zinc/90/18/39/584901839.db2.gz RIMNBQYOMRCOGV-VHSXEESVSA-N 1 0 213.325 0.769 20 30 BCEDRO C[C@@H](CO)N(C)N=C1CC[N@H+](C)[C@H](C)C1 ZINC000842541400 584901847 /nfs/dbraw/zinc/90/18/47/584901847.db2.gz RIMNBQYOMRCOGV-ZJUUUORDSA-N 1 0 213.325 0.769 20 30 BCEDRO C#CCCCCNC(=S)NCC[NH+](C)C ZINC000758432686 584905791 /nfs/dbraw/zinc/90/57/91/584905791.db2.gz AEBKGPCNEIMQHN-UHFFFAOYSA-N 1 0 227.377 0.816 20 30 BCEDRO CC(=[NH+]NCC(N)=O)c1ccccc1N(C)C ZINC000758890526 584905979 /nfs/dbraw/zinc/90/59/79/584905979.db2.gz XIGAKKIKICDLAO-UHFFFAOYSA-N 1 0 234.303 0.552 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@@H]1CCOC1 ZINC000834479746 584913691 /nfs/dbraw/zinc/91/36/91/584913691.db2.gz IACCWMVESMYHHY-MXWKQRLJSA-N 1 0 237.303 0.031 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)C2=COCCC2)CC1 ZINC000730833239 584917629 /nfs/dbraw/zinc/91/76/29/584917629.db2.gz WQUASQVFCOSGMJ-UHFFFAOYSA-N 1 0 249.314 0.785 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@@H+](C)C2)cn1 ZINC000731233206 584924157 /nfs/dbraw/zinc/92/41/57/584924157.db2.gz SURCAVOGFVLLNC-NSHDSACASA-N 1 0 243.310 0.744 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(n2ccnc2)CC1 ZINC000731847142 584929420 /nfs/dbraw/zinc/92/94/20/584929420.db2.gz DWLLRZJLJMPSFX-UHFFFAOYSA-N 1 0 246.314 0.269 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cnn(CC)c1 ZINC000732569382 584938812 /nfs/dbraw/zinc/93/88/12/584938812.db2.gz CPAMWKDSXVVDEZ-UHFFFAOYSA-N 1 0 234.303 0.132 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000733345979 584947174 /nfs/dbraw/zinc/94/71/74/584947174.db2.gz AJKBEPYDSIZMIF-NWDGAFQWSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H](O)CC ZINC000733997646 584956299 /nfs/dbraw/zinc/95/62/99/584956299.db2.gz SZCVZSPQUFYLMK-VXGBXAGGSA-N 1 0 238.331 0.361 20 30 BCEDRO CCN(C)c1ccc(C=[NH+]NC[C@@H](C)O)cn1 ZINC000814966197 584971171 /nfs/dbraw/zinc/97/11/71/584971171.db2.gz RENKAKHSCIBZEM-SNVBAGLBSA-N 1 0 236.319 0.842 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2cccnn2)CC1 ZINC000736024238 584986955 /nfs/dbraw/zinc/98/69/55/584986955.db2.gz WHUMYOCWMJDHEZ-UHFFFAOYSA-N 1 0 244.298 0.760 20 30 BCEDRO C[N@@H+](Cc1ccccc1)C[C@@H](O)CNCCC#N ZINC000819270164 585000733 /nfs/dbraw/zinc/00/07/33/585000733.db2.gz UXWDSZHCYPITQK-AWEZNQCLSA-N 1 0 247.342 0.983 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCC[NH+]1CCC1 ZINC000820647589 585014104 /nfs/dbraw/zinc/01/41/04/585014104.db2.gz SSPIEUKCAQAPSX-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000890067906 585020568 /nfs/dbraw/zinc/02/05/68/585020568.db2.gz YQIUELCDUDTFOR-ZDUSSCGKSA-N 1 0 247.342 0.749 20 30 BCEDRO C=C(Cl)CNC(=O)NCCC[NH+](C)C ZINC000737027124 585022784 /nfs/dbraw/zinc/02/27/84/585022784.db2.gz NJKHPVKXDNKALK-UHFFFAOYSA-N 1 0 219.716 0.990 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000773595514 585023535 /nfs/dbraw/zinc/02/35/35/585023535.db2.gz BXXITQQEJZQFSU-SRVKXCTJSA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000822673430 585027211 /nfs/dbraw/zinc/02/72/11/585027211.db2.gz QZQRQJYZWJDVDM-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCOCCC(=O)O[C@@H]1CCN(CCF)C1 ZINC000788083626 585030748 /nfs/dbraw/zinc/03/07/48/585030748.db2.gz LKGKOPJCRJRXSQ-LLVKDONJSA-N 1 0 243.278 0.613 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1C(=O)NCCC#N ZINC000838573830 585061028 /nfs/dbraw/zinc/06/10/28/585061028.db2.gz TZLMJCUMMPUVBO-JTQLQIEISA-N 1 0 224.308 0.636 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@@H]1C ZINC000838624225 585063894 /nfs/dbraw/zinc/06/38/94/585063894.db2.gz NFGXFVVGRXJCAE-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO C=CCONC(=O)N1CCN(C2CCC2)CC1 ZINC000838707048 585065539 /nfs/dbraw/zinc/06/55/39/585065539.db2.gz AXRXFSOVHMLXNC-UHFFFAOYSA-N 1 0 239.319 0.984 20 30 BCEDRO C=CCONC(=O)NCC1([NH+](C)C)CCC1 ZINC000838709957 585066387 /nfs/dbraw/zinc/06/63/87/585066387.db2.gz QTSKQURUOYKPBM-UHFFFAOYSA-N 1 0 227.308 0.888 20 30 BCEDRO C=CCONC(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000838713895 585067341 /nfs/dbraw/zinc/06/73/41/585067341.db2.gz VMNHJTQOTAYDMW-GFCCVEGCSA-N 1 0 239.319 0.841 20 30 BCEDRO COC(=O)CC1([NH2+]CCO[C@H](C)C#N)CCC1 ZINC000838916753 585078319 /nfs/dbraw/zinc/07/83/19/585078319.db2.gz AFFGYMVREGWLPG-SNVBAGLBSA-N 1 0 240.303 0.990 20 30 BCEDRO C#CCSCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000739826425 585081019 /nfs/dbraw/zinc/08/10/19/585081019.db2.gz TXCAEBYSDYIYAH-SNVBAGLBSA-N 1 0 226.345 0.421 20 30 BCEDRO C#Cc1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1 ZINC000839166995 585095401 /nfs/dbraw/zinc/09/54/01/585095401.db2.gz VFQGCKCQJCPWAQ-KBPBESRZSA-N 1 0 231.295 0.453 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H]2C[C@@H]21 ZINC000839195518 585098537 /nfs/dbraw/zinc/09/85/37/585098537.db2.gz BJAHPWUQTRGHED-VWYCJHECSA-N 1 0 206.289 0.514 20 30 BCEDRO FC(F)CNN=C1C[NH+]2CCC1CC2 ZINC000740617557 585103572 /nfs/dbraw/zinc/10/35/72/585103572.db2.gz WPDUGLIUBYGAGH-UHFFFAOYSA-N 1 0 203.236 0.923 20 30 BCEDRO Cn1cc([C@H](O)C[NH2+]Cc2ccc(C#N)o2)cn1 ZINC000742376444 585125397 /nfs/dbraw/zinc/12/53/97/585125397.db2.gz SWVMJJFERHBAJN-GFCCVEGCSA-N 1 0 246.270 0.708 20 30 BCEDRO C#CCCCNC(=S)NCC[NH+](C)C ZINC000743010480 585132866 /nfs/dbraw/zinc/13/28/66/585132866.db2.gz DFMUDMLDJJUQDR-UHFFFAOYSA-N 1 0 213.350 0.426 20 30 BCEDRO CC1(C)C(N=NC(N)=[NH2+])[C@@H]2CCCO[C@H]21 ZINC000743417216 585136504 /nfs/dbraw/zinc/13/65/04/585136504.db2.gz GFQDFSFGYDIAGD-POYBYMJQSA-N 1 0 210.281 0.660 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)c2cnc[nH]2)CC1 ZINC000743493124 585137400 /nfs/dbraw/zinc/13/74/00/585137400.db2.gz HUACEDVYTXQJJE-UHFFFAOYSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CCCNC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000745839688 585160827 /nfs/dbraw/zinc/16/08/27/585160827.db2.gz LCVMCXIBAXUZFQ-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCCNC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000745839689 585160962 /nfs/dbraw/zinc/16/09/62/585160962.db2.gz LCVMCXIBAXUZFQ-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000745858975 585161166 /nfs/dbraw/zinc/16/11/66/585161166.db2.gz VSMHOIDNDUUNIN-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000746261117 585166557 /nfs/dbraw/zinc/16/65/57/585166557.db2.gz SYMDWTMPIYHRKN-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccc(OCC)cc1 ZINC000746513894 585169583 /nfs/dbraw/zinc/16/95/83/585169583.db2.gz MUIBCZQWDSPXEX-UHFFFAOYSA-N 1 0 246.310 0.924 20 30 BCEDRO Cc1nn(C)c2ncc(C=NNC(N)=[NH2+])cc12 ZINC000747602080 585181187 /nfs/dbraw/zinc/18/11/87/585181187.db2.gz KHSMIFJCIBZBPS-UHFFFAOYSA-N 1 0 231.263 0.094 20 30 BCEDRO COc1ccc2c(c1)OCC2=NNC(N)=[NH2+] ZINC000749158566 585200145 /nfs/dbraw/zinc/20/01/45/585200145.db2.gz QHWRKSNJDVGGTH-UHFFFAOYSA-N 1 0 220.232 0.275 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)Nc2cnoc2)CC1 ZINC000749558216 585203777 /nfs/dbraw/zinc/20/37/77/585203777.db2.gz SGRDEKGXFNYIHI-UHFFFAOYSA-N 1 0 233.271 0.958 20 30 BCEDRO C=CCNC(=S)NCC1CC[NH+](C)CC1 ZINC000751024892 585223601 /nfs/dbraw/zinc/22/36/01/585223601.db2.gz CTYGPEQAUQKIBJ-UHFFFAOYSA-N 1 0 227.377 0.978 20 30 BCEDRO C#CCNC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000751030832 585223765 /nfs/dbraw/zinc/22/37/65/585223765.db2.gz SPIKKVINRRQKFL-UHFFFAOYSA-N 1 0 239.319 0.030 20 30 BCEDRO C#CCN(CC#C)C[C@H](O)C[NH+]1CCCC1 ZINC000752076458 585241621 /nfs/dbraw/zinc/24/16/21/585241621.db2.gz WILKGQQZYAMNBS-ZDUSSCGKSA-N 1 0 220.316 0.012 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1cccnn1 ZINC000752165966 585243108 /nfs/dbraw/zinc/24/31/08/585243108.db2.gz NUDZDSAQIHXKHI-MRVPVSSYSA-N 1 0 205.265 0.826 20 30 BCEDRO COc1ccnc(N=NC2C[N@H+](C)C[C@@H]2C)n1 ZINC000752160289 585243316 /nfs/dbraw/zinc/24/33/16/585243316.db2.gz ISRCVZNHJSKWED-QMMMGPOBSA-N 1 0 235.291 0.835 20 30 BCEDRO C#CCCCNC(=O)NCC[NH+]1CCC1 ZINC000752681630 585248613 /nfs/dbraw/zinc/24/86/13/585248613.db2.gz MUOBELIVGCUVOK-UHFFFAOYSA-N 1 0 209.293 0.405 20 30 BCEDRO C[C@@H](CO)N[NH+]=Cc1ccc2c(c1)CCN2C ZINC000752733654 585249310 /nfs/dbraw/zinc/24/93/10/585249310.db2.gz YLGSHFQPBUVXLD-JTQLQIEISA-N 1 0 233.315 0.983 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC2(CC1)OCCO2 ZINC000752857456 585250695 /nfs/dbraw/zinc/25/06/95/585250695.db2.gz VKJOSFAIZNPHFD-LLVKDONJSA-N 1 0 227.304 0.762 20 30 BCEDRO C#CCCN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000752858937 585250971 /nfs/dbraw/zinc/25/09/71/585250971.db2.gz ZWDLEYQXHSZVKU-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO C=C(CO)C(=O)N[C@@H](C)C[N@@H+](C)CCCC ZINC000752927215 585251265 /nfs/dbraw/zinc/25/12/65/585251265.db2.gz JLFIISUBUUOMHZ-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C#CCOCCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000753227840 585255655 /nfs/dbraw/zinc/25/56/55/585255655.db2.gz PHBKHRVCRJFBRD-TXEJJXNPSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCOCCNC(=O)C[N@@H+](C)CCC ZINC000753242538 585255899 /nfs/dbraw/zinc/25/58/99/585255899.db2.gz YYIJYHRKPQNCCR-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C#CC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000753901182 585271714 /nfs/dbraw/zinc/27/17/14/585271714.db2.gz YJWNKLHEISSGNF-UHFFFAOYSA-N 1 0 215.256 0.363 20 30 BCEDRO Cn1cc(C=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)cn1 ZINC000753935342 585272534 /nfs/dbraw/zinc/27/25/34/585272534.db2.gz NRSHONWQTSVOPR-GHMZBOCLSA-N 1 0 246.318 0.614 20 30 BCEDRO C#CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000753957369 585273428 /nfs/dbraw/zinc/27/34/28/585273428.db2.gz QIAADCMIJVTYFX-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC(=O)NCc1ccccc1OCC[NH+](C)C ZINC000753981987 585274087 /nfs/dbraw/zinc/27/40/87/585274087.db2.gz OYPDHWHZDFNEGZ-UHFFFAOYSA-N 1 0 246.310 0.876 20 30 BCEDRO C#CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000753998825 585274685 /nfs/dbraw/zinc/27/46/85/585274685.db2.gz LRNYFXAJMSICIZ-UHFFFAOYSA-N 1 0 206.249 0.016 20 30 BCEDRO C#CC(=O)NCc1ccc(OCC[NH+](C)C)cc1 ZINC000754001471 585274818 /nfs/dbraw/zinc/27/48/18/585274818.db2.gz XHMTXRSETWZZPO-UHFFFAOYSA-N 1 0 246.310 0.876 20 30 BCEDRO C#CC(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000754023766 585275520 /nfs/dbraw/zinc/27/55/20/585275520.db2.gz OPMZNAJUUSNHPE-UHFFFAOYSA-N 1 0 206.289 0.776 20 30 BCEDRO C#CC(=O)N1CC[C@@H](C[N@@H+](C)CCC)C1 ZINC000754056761 585276016 /nfs/dbraw/zinc/27/60/16/585276016.db2.gz OMUBGAQFAHRFJY-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO C#CC(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000754055232 585276743 /nfs/dbraw/zinc/27/67/43/585276743.db2.gz BABIOEVDUDYBJT-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO C#CC(=O)N(CC[NH+](C)C)Cc1ccco1 ZINC000754068159 585277045 /nfs/dbraw/zinc/27/70/45/585277045.db2.gz DDJAIUGXHRSPAR-UHFFFAOYSA-N 1 0 220.272 0.803 20 30 BCEDRO CC[N@@H+]1CCN(CC(=O)NCCC#N)C[C@H]1C ZINC000754372084 585283448 /nfs/dbraw/zinc/28/34/48/585283448.db2.gz AZULUCSIAQLAIR-LLVKDONJSA-N 1 0 238.335 0.042 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000754388051 585283994 /nfs/dbraw/zinc/28/39/94/585283994.db2.gz SJRRHJMVIZBUAL-RYUDHWBXSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCOCCC(=O)NC[C@@H](C)[NH+](C)C ZINC000755485958 585300452 /nfs/dbraw/zinc/30/04/52/585300452.db2.gz RNNFJNLJNHFSIY-SNVBAGLBSA-N 1 0 212.293 0.093 20 30 BCEDRO COc1cc2c(c(C=NNC(N)=[NH2+])c1)O[C@@H](C)C2 ZINC000755631810 585302749 /nfs/dbraw/zinc/30/27/49/585302749.db2.gz AARYSCAQWYTEAJ-ZETCQYMHSA-N 1 0 248.286 0.836 20 30 BCEDRO Cn1cc(C=NNCC[NH+]2CCCCC2)nn1 ZINC000755655157 585303573 /nfs/dbraw/zinc/30/35/73/585303573.db2.gz COIAVEOYOXNTLN-UHFFFAOYSA-N 1 0 236.323 0.225 20 30 BCEDRO Cn1cc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)nn1 ZINC000755815230 585307893 /nfs/dbraw/zinc/30/78/93/585307893.db2.gz QISOVEDVWYLRFU-AOOOYVTPSA-N 1 0 247.306 0.009 20 30 BCEDRO C[C@H]1CN(C2CC2)CC1=[NH+]n1cnnc1 ZINC000755873717 585308899 /nfs/dbraw/zinc/30/88/99/585308899.db2.gz LCJICXSNYFWYNV-QMMMGPOBSA-N 1 0 205.265 0.596 20 30 BCEDRO C[C@H](CO)N=NC1C[N@@H+](C2CC2)C[C@H]1C ZINC000755891478 585309303 /nfs/dbraw/zinc/30/93/03/585309303.db2.gz HAUFNEWSCYDVND-RKDXNWHRSA-N 1 0 211.309 0.427 20 30 BCEDRO C#CCOCCC(=O)N[C@@H]1C[N@H+](CC)C[C@H]1C ZINC000755963058 585311470 /nfs/dbraw/zinc/31/14/70/585311470.db2.gz SDHUISAZKFOJNZ-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO CC(C)[C@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000755995239 585312490 /nfs/dbraw/zinc/31/24/90/585312490.db2.gz LFFQWSPCQKRPJH-NSHDSACASA-N 1 0 223.320 0.994 20 30 BCEDRO C#CCCC[N@H+]1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000839629494 585332676 /nfs/dbraw/zinc/33/26/76/585332676.db2.gz AAGRWHVMSZRQJA-GFCCVEGCSA-N 1 0 238.331 0.436 20 30 BCEDRO C[N@@H+]1CCCC(=NNS(C)(=O)=O)CC1 ZINC000758116173 585349456 /nfs/dbraw/zinc/34/94/56/585349456.db2.gz DAYICSKEEXQISY-UHFFFAOYSA-N 1 0 219.310 0.007 20 30 BCEDRO C#CCCNC(=O)Cn1cnc2c1CCCC2 ZINC000758168067 585350956 /nfs/dbraw/zinc/35/09/56/585350956.db2.gz LFNWAQLPAUGLGB-UHFFFAOYSA-N 1 0 231.299 0.901 20 30 BCEDRO C#CCNC(=S)NC[C@@H](CC)[NH+]1CCCC1 ZINC000758193802 585351496 /nfs/dbraw/zinc/35/14/96/585351496.db2.gz SUPRDWYGULDRKC-LLVKDONJSA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCNC(=S)N1CC[NH+](CC2CC2)CC1 ZINC000758205690 585351822 /nfs/dbraw/zinc/35/18/22/585351822.db2.gz WWSBEEBXGJOAIC-UHFFFAOYSA-N 1 0 237.372 0.522 20 30 BCEDRO C#CCNC(=S)NNc1cc(C)nc(C)n1 ZINC000758239848 585352036 /nfs/dbraw/zinc/35/20/36/585352036.db2.gz UWFDLBXGMWUXFC-UHFFFAOYSA-N 1 0 235.316 0.518 20 30 BCEDRO C#CCNC(=S)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000758241229 585352693 /nfs/dbraw/zinc/35/26/93/585352693.db2.gz ZQJDBFRGWSHTDY-LLVKDONJSA-N 1 0 239.388 0.766 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000758248213 585352791 /nfs/dbraw/zinc/35/27/91/585352791.db2.gz UOSRUYWQPXQIGD-NXEZZACHSA-N 1 0 225.361 0.566 20 30 BCEDRO COc1cc2c(cc1C=NNC(N)=[NH2+])OCO2 ZINC000758869805 585361065 /nfs/dbraw/zinc/36/10/65/585361065.db2.gz GJUPNXAHIYOJCX-UHFFFAOYSA-N 1 0 236.231 0.241 20 30 BCEDRO CN1CCCc2cc(C=[NH+]NCC(N)=O)ccc21 ZINC000758892782 585361526 /nfs/dbraw/zinc/36/15/26/585361526.db2.gz NGXAVQVIDUKEEE-UHFFFAOYSA-N 1 0 246.314 0.478 20 30 BCEDRO CC(=[NH+]NCC(N)=O)c1ccc(N(C)C)cc1 ZINC000758893060 585361564 /nfs/dbraw/zinc/36/15/64/585361564.db2.gz SCCDIBSZOYVHNP-UHFFFAOYSA-N 1 0 234.303 0.552 20 30 BCEDRO C[C@@H]1CC(O)C[C@@H](C)[NH+]1CC(=O)NCCC#N ZINC000759493252 585373993 /nfs/dbraw/zinc/37/39/93/585373993.db2.gz YBCSYHKSJJFWBO-NXEZZACHSA-N 1 0 239.319 0.250 20 30 BCEDRO COc1cccc2c1CCC2=NNC(N)=[NH2+] ZINC000759646973 585377973 /nfs/dbraw/zinc/37/79/73/585377973.db2.gz STNIZRXLWCYFHP-UHFFFAOYSA-N 1 0 218.260 0.829 20 30 BCEDRO C#CCC[N@@H+](CCCO)CC(OC)OC ZINC000759869753 585381536 /nfs/dbraw/zinc/38/15/36/585381536.db2.gz OKVAMGCIZLUCEC-UHFFFAOYSA-N 1 0 215.293 0.313 20 30 BCEDRO C#CCCCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000760526460 585393856 /nfs/dbraw/zinc/39/38/56/585393856.db2.gz RIMROGOUANUKEA-UHFFFAOYSA-N 1 0 238.331 0.628 20 30 BCEDRO C#CCC[N@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000760816506 585398069 /nfs/dbraw/zinc/39/80/69/585398069.db2.gz ULLCITYPGRCPCR-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO C#CC[N@H+](CC)CC[C@H]1CCS(=O)(=O)C1 ZINC000760842285 585399122 /nfs/dbraw/zinc/39/91/22/585399122.db2.gz FUTDLJXNWIAFKB-NSHDSACASA-N 1 0 229.345 0.766 20 30 BCEDRO C#CCC[NH+]1CCC(N(C)S(C)(=O)=O)CC1 ZINC000760851105 585399909 /nfs/dbraw/zinc/39/99/09/585399909.db2.gz MTWWARSMTSBEHR-UHFFFAOYSA-N 1 0 244.360 0.366 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000760853458 585400161 /nfs/dbraw/zinc/40/01/61/585400161.db2.gz LUIFIQRRJOCIBZ-NSHDSACASA-N 1 0 244.360 0.271 20 30 BCEDRO C#CCOCC[N@@H+](C)CCOCCOC ZINC000761107003 585409814 /nfs/dbraw/zinc/40/98/14/585409814.db2.gz BKEMCSWUDVCZAC-UHFFFAOYSA-N 1 0 215.293 0.231 20 30 BCEDRO CCOC(=O)[C@H]1CCC(N=NC(N)=[NH2+])[C@H](C)C1 ZINC000761256008 585412945 /nfs/dbraw/zinc/41/29/45/585412945.db2.gz XLJGOTNNFHVDSL-SFYZADRCSA-N 1 0 240.307 0.825 20 30 BCEDRO C[C@H]1CC(N=Nc2ncccn2)C[N@@H+]1C ZINC000761805318 585419023 /nfs/dbraw/zinc/41/90/23/585419023.db2.gz AIAFJNJCIWLBOV-QMMMGPOBSA-N 1 0 205.265 0.969 20 30 BCEDRO CN1CCC(=NNC2=[NH+][C@@H]3CCCC[C@H]3N2)C1=O ZINC000761828135 585419412 /nfs/dbraw/zinc/41/94/12/585419412.db2.gz LYPQPWRQCMRVMK-RKDXNWHRSA-N 1 0 249.318 0.065 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1cnn(C)c1 ZINC000761861006 585420640 /nfs/dbraw/zinc/42/06/40/585420640.db2.gz RVCPVUOUAXJHHB-QMMMGPOBSA-N 1 0 207.281 0.770 20 30 BCEDRO COCC#CC[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000762925596 585439805 /nfs/dbraw/zinc/43/98/05/585439805.db2.gz IQVWTNPEKYUBJF-UHFFFAOYSA-N 1 0 236.315 0.238 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CCO[C@@H](C#N)C2)CCC1 ZINC000763043357 585442046 /nfs/dbraw/zinc/44/20/46/585442046.db2.gz RWVMBGIJDHGSCU-JTQLQIEISA-N 1 0 237.303 0.222 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1CC2(CC2)C(=O)O1)[C@H]1CCCO1 ZINC000763780903 585454024 /nfs/dbraw/zinc/45/40/24/585454024.db2.gz OFKLTURGDNJEKW-GRYCIOLGSA-N 1 0 249.310 0.853 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](CC)C1 ZINC000764138972 585460615 /nfs/dbraw/zinc/46/06/15/585460615.db2.gz YQXFCMDUQCAYTH-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](CC)C[C@H]1CCOC1 ZINC000764198428 585461174 /nfs/dbraw/zinc/46/11/74/585461174.db2.gz YETZFFNOUJXSOZ-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO CC#CC(=O)NC[C@@H](C)N1CC[NH+](CC)CC1 ZINC000764508103 585467047 /nfs/dbraw/zinc/46/70/47/585467047.db2.gz OYCABHMTBXPDPW-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(O)(CC)CC ZINC000764573722 585468044 /nfs/dbraw/zinc/46/80/44/585468044.db2.gz MUHXOLRMCCVWOI-UHFFFAOYSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H](C)CO ZINC000764634708 585469665 /nfs/dbraw/zinc/46/96/65/585469665.db2.gz XSPOKDAYJSJJLO-NXEZZACHSA-N 1 0 214.309 0.237 20 30 BCEDRO C[C@@H]1CC(NC(=O)[C@@H]2CCCC[N@@H+]2C)=NO1 ZINC000765372725 585484444 /nfs/dbraw/zinc/48/44/44/585484444.db2.gz NHQWCNCCFICPRE-BDAKNGLRSA-N 1 0 225.292 0.709 20 30 BCEDRO S=C(NN=C1CC[N@@H+]2CCC[C@@H]12)NC1CC1 ZINC000765560714 585489616 /nfs/dbraw/zinc/48/96/16/585489616.db2.gz UKXXXWQPWUMMSH-JTQLQIEISA-N 1 0 238.360 0.837 20 30 BCEDRO C[C@@H](C#N)CNN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000765582146 585489923 /nfs/dbraw/zinc/48/99/23/585489923.db2.gz CAWMXEHJBAQHNB-ONGXEEELSA-N 1 0 206.293 0.960 20 30 BCEDRO C#CCCCN1CC[NH+]([C@@H]2CCC[C@@H]2O)CC1 ZINC000766896580 585509669 /nfs/dbraw/zinc/50/96/69/585509669.db2.gz UBHSLSPITPTLAN-KGLIPLIRSA-N 1 0 236.359 0.931 20 30 BCEDRO C#CCCC[NH+]1CCN(CC(=O)NC2CC2)CC1 ZINC000766895848 585509747 /nfs/dbraw/zinc/50/97/47/585509747.db2.gz JFAUNIHZMSRRMU-UHFFFAOYSA-N 1 0 249.358 0.296 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000766906482 585511278 /nfs/dbraw/zinc/51/12/78/585511278.db2.gz QSSIIHBDARUKJX-GFCCVEGCSA-N 1 0 235.331 0.889 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H](OCCO)C1 ZINC000766906089 585511379 /nfs/dbraw/zinc/51/13/79/585511379.db2.gz NMKHPLNADPYPDP-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCOCCC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000768845375 585544754 /nfs/dbraw/zinc/54/47/54/585544754.db2.gz HZQBAVVAVMRFEM-RYUDHWBXSA-N 1 0 238.331 0.577 20 30 BCEDRO C#C[C@@H](C)N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000769961850 585567374 /nfs/dbraw/zinc/56/73/74/585567374.db2.gz OENTUYRNSWAZJM-NEPJUHHUSA-N 1 0 210.321 0.397 20 30 BCEDRO C#C[C@H](C)N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000769961854 585567485 /nfs/dbraw/zinc/56/74/85/585567485.db2.gz OENTUYRNSWAZJM-NWDGAFQWSA-N 1 0 210.321 0.397 20 30 BCEDRO COC(=O)C[C@]1([NH2+]CCCC#N)CCCOC1 ZINC000770692671 585580004 /nfs/dbraw/zinc/58/00/04/585580004.db2.gz QCZJLBDQWDWWIH-GFCCVEGCSA-N 1 0 240.303 0.992 20 30 BCEDRO C#CCOCCC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000771406233 585594200 /nfs/dbraw/zinc/59/42/00/585594200.db2.gz TVXMWQXAHGPFDG-VXGBXAGGSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000772848489 585625316 /nfs/dbraw/zinc/62/53/16/585625316.db2.gz VDIKDXSRVVCFKB-BDAKNGLRSA-N 1 0 212.318 0.124 20 30 BCEDRO C#CCCC[N@H+]1CCSC[C@@H]1C(N)=O ZINC000773585518 585640661 /nfs/dbraw/zinc/64/06/61/585640661.db2.gz WABWAULSZJZMEM-SECBINFHSA-N 1 0 212.318 0.303 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000773590702 585640925 /nfs/dbraw/zinc/64/09/25/585640925.db2.gz JZXJGUZBQFTXRC-UWVGGRQHSA-N 1 0 221.304 0.544 20 30 BCEDRO CON=CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000773807055 585643766 /nfs/dbraw/zinc/64/37/66/585643766.db2.gz FRSOOMRCLQCDDQ-VHSXEESVSA-N 1 0 225.292 0.362 20 30 BCEDRO CON=CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000773923386 585646549 /nfs/dbraw/zinc/64/65/49/585646549.db2.gz QBHXBDLNRDANIN-VIFPVBQESA-N 1 0 213.281 0.171 20 30 BCEDRO CON=CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000773989006 585647955 /nfs/dbraw/zinc/64/79/55/585647955.db2.gz AKPFQFOVKGZNFB-VHSXEESVSA-N 1 0 227.308 0.417 20 30 BCEDRO CON=CC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@H]1C ZINC000773988978 585647982 /nfs/dbraw/zinc/64/79/82/585647982.db2.gz AKPFQFOVKGZNFB-NXEZZACHSA-N 1 0 227.308 0.417 20 30 BCEDRO Cn1cc(CC[NH+]2CCC(CC#N)CC2)nn1 ZINC000859245300 589024155 /nfs/dbraw/zinc/02/41/55/589024155.db2.gz VWGQZRRSCHFPDR-UHFFFAOYSA-N 1 0 233.319 0.983 20 30 BCEDRO CON=CC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000774386122 585657350 /nfs/dbraw/zinc/65/73/50/585657350.db2.gz NGQJBBFSOIFCAO-JTQLQIEISA-N 1 0 227.308 0.609 20 30 BCEDRO Cn1[nH]ccc1=NN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000774413379 585657988 /nfs/dbraw/zinc/65/79/88/585657988.db2.gz OOGSJAAYZJMJKP-JTQLQIEISA-N 1 0 219.292 0.478 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H](CO)C2CC2)CC1 ZINC000859250474 589024286 /nfs/dbraw/zinc/02/42/86/589024286.db2.gz KNZNKMGVTGIEFB-GHMZBOCLSA-N 1 0 224.304 0.402 20 30 BCEDRO C#C[C@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1CCCO1 ZINC000775325699 585675305 /nfs/dbraw/zinc/67/53/05/585675305.db2.gz UGMXJZMRDDEEEL-GARJFASQSA-N 1 0 224.304 0.234 20 30 BCEDRO C#C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@H]1CCCO1 ZINC000775322356 585675733 /nfs/dbraw/zinc/67/57/33/585675733.db2.gz CCTWRVFSKOAAIU-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H](NC(=O)C[NH+](CC)CC)[C@H]1CCCO1 ZINC000775346032 585676072 /nfs/dbraw/zinc/67/60/72/585676072.db2.gz AXMRCTVULWREGC-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H](NC(=O)C[NH+](CC)CC)[C@@H]1CCCO1 ZINC000775346034 585676253 /nfs/dbraw/zinc/67/62/53/585676253.db2.gz AXMRCTVULWREGC-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@@H](NC(=O)C[NH+](CC)CC)[C@@H]1CCCO1 ZINC000775346030 585676612 /nfs/dbraw/zinc/67/66/12/585676612.db2.gz AXMRCTVULWREGC-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H]([NH2+]CC[C@@H]1CCOC1=O)[C@@H]1CCCO1 ZINC000775795636 585685379 /nfs/dbraw/zinc/68/53/79/585685379.db2.gz OOCCDQROZJAGNQ-WOPDTQHZSA-N 1 0 237.299 0.710 20 30 BCEDRO C#C[C@H]([NH2+]CCN1CCCC1=O)[C@H]1CCCO1 ZINC000775801044 585685726 /nfs/dbraw/zinc/68/57/26/585685726.db2.gz VYBSSNULSNDBMN-NWDGAFQWSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](SC)[C@H](N(C)C)C1 ZINC000776002113 585689302 /nfs/dbraw/zinc/68/93/02/585689302.db2.gz SEENIKSVJRLUCP-GHMZBOCLSA-N 1 0 212.362 0.987 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)CC1(O)CCC1)C1CC1 ZINC000859253326 589024701 /nfs/dbraw/zinc/02/47/01/589024701.db2.gz ZRQMJHXKKDINBO-GFCCVEGCSA-N 1 0 223.316 0.750 20 30 BCEDRO C#CCCN1CC[NH+]([C@H](CO)C(=C)C)CC1 ZINC000776593224 585702128 /nfs/dbraw/zinc/70/21/28/585702128.db2.gz TVTHPYBKPVOJNL-CYBMUJFWSA-N 1 0 222.332 0.564 20 30 BCEDRO C#CCC[NH+]1CCN(CC2OCCO2)CC1 ZINC000777713500 585719122 /nfs/dbraw/zinc/71/91/22/585719122.db2.gz JNJKVPAABTYZTE-UHFFFAOYSA-N 1 0 224.304 0.000 20 30 BCEDRO COC[C@H](C)NN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000777894052 585722624 /nfs/dbraw/zinc/72/26/24/585722624.db2.gz FMHHGBLIHPLDRQ-ONGXEEELSA-N 1 0 211.309 0.835 20 30 BCEDRO C#CCCN1CC[NH+](C[C@@H](O)CSC)CC1 ZINC000778096740 585725775 /nfs/dbraw/zinc/72/57/75/585725775.db2.gz YXWNERLEPYJDHO-GFCCVEGCSA-N 1 0 242.388 0.351 20 30 BCEDRO C=C(C)CN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000778232450 585728431 /nfs/dbraw/zinc/72/84/31/585728431.db2.gz ZKEBKZYAVFMVLF-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000778296278 585730441 /nfs/dbraw/zinc/73/04/41/585730441.db2.gz VHLSEPDQPNNSML-MNOVXSKESA-N 1 0 208.305 0.986 20 30 BCEDRO C=CCOCCNC(=S)NCC[NH+](C)C ZINC000779731875 585760071 /nfs/dbraw/zinc/76/00/71/585760071.db2.gz VDRIYUFKXOIIDO-UHFFFAOYSA-N 1 0 231.365 0.215 20 30 BCEDRO C[C@H]1CNC(NN=C2CN(C3CC3)C[C@@H]2C)=[NH+]1 ZINC000779786486 585763329 /nfs/dbraw/zinc/76/33/29/585763329.db2.gz RFOOVOGDFKWONB-IUCAKERBSA-N 1 0 235.335 0.394 20 30 BCEDRO COc1cc(C=NNC2=[NH+]C[C@@H](C)N2)ccc1O ZINC000779791647 585763646 /nfs/dbraw/zinc/76/36/46/585763646.db2.gz DUSRPSBLCGTWEI-MRVPVSSYSA-N 1 0 248.286 0.672 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cccc(O)c2)N1 ZINC000779791169 585763676 /nfs/dbraw/zinc/76/36/76/585763676.db2.gz GAWLLHWWEFZMDF-QMMMGPOBSA-N 1 0 218.260 0.663 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccc[nH]1 ZINC000779792417 585763743 /nfs/dbraw/zinc/76/37/43/585763743.db2.gz RKNCMXVBAMELDS-ZETCQYMHSA-N 1 0 205.265 0.676 20 30 BCEDRO Cc1csc(C=NNC2=[NH+]C[C@@H](C)N2)n1 ZINC000779792438 585763846 /nfs/dbraw/zinc/76/38/46/585763846.db2.gz RRSUZMPDRZRSJO-ZCFIWIBFSA-N 1 0 223.305 0.723 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc(C#N)cc2)N1 ZINC000779792971 585764031 /nfs/dbraw/zinc/76/40/31/585764031.db2.gz QDSUMTNVJVQSGW-VIFPVBQESA-N 1 0 227.271 0.829 20 30 BCEDRO Cc1ccc(C=NNC2=[NH+]C[C@@H](C)N2)o1 ZINC000779795950 585764295 /nfs/dbraw/zinc/76/42/95/585764295.db2.gz ZKDBKOZYJGRXPX-SSDOTTSWSA-N 1 0 206.249 0.859 20 30 BCEDRO CCCn1cc(C=NNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000779794204 585764351 /nfs/dbraw/zinc/76/43/51/585764351.db2.gz DSUORVHIWGQGOZ-SECBINFHSA-N 1 0 234.307 0.564 20 30 BCEDRO C[C@H]1CNC(NN=C2CCO[C@H](C)C2)=[NH+]1 ZINC000779794509 585764387 /nfs/dbraw/zinc/76/43/87/585764387.db2.gz JMCNZGSODWTZQQ-JGVFFNPUSA-N 1 0 210.281 0.479 20 30 BCEDRO CC(C[C@H]1CCOC1)=NNC1=[NH+][C@@H](C)CN1 ZINC000779794341 585764445 /nfs/dbraw/zinc/76/44/45/585764445.db2.gz GTPAVVWPMQYCSS-VHSXEESVSA-N 1 0 224.308 0.726 20 30 BCEDRO C[C@@H]1CC(=NNC2=[NH+][C@@H](C)CN2)CN1C1CC1 ZINC000779799560 585764589 /nfs/dbraw/zinc/76/45/89/585764589.db2.gz VKOBZGRGHZDPDO-DTWKUNHWSA-N 1 0 235.335 0.536 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2COc3ccc(F)cc32)N1 ZINC000779799880 585764811 /nfs/dbraw/zinc/76/48/11/585764811.db2.gz YIDCWYUALICHHM-SSDOTTSWSA-N 1 0 248.261 0.860 20 30 BCEDRO C[C@H]1CN(C)C[C@H]1[NH2+]Cc1ccc(C#N)cn1 ZINC000780555547 585781105 /nfs/dbraw/zinc/78/11/05/585781105.db2.gz HUFWFFVXUTUGSA-GXFFZTMASA-N 1 0 230.315 0.993 20 30 BCEDRO C#CCNC(=O)CN(Cc1cccnc1)C1CC1 ZINC000780744542 585784113 /nfs/dbraw/zinc/78/41/13/585784113.db2.gz XWBRYTSWSHMEOF-UHFFFAOYSA-N 1 0 243.310 0.795 20 30 BCEDRO Cc1cccnc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000781595213 585800147 /nfs/dbraw/zinc/80/01/47/585800147.db2.gz NRJUZPQKJJPZSP-SECBINFHSA-N 1 0 217.276 0.661 20 30 BCEDRO N#CCCC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782001160 585806404 /nfs/dbraw/zinc/80/64/04/585806404.db2.gz YBHMRDGISWIZMK-UHFFFAOYSA-N 1 0 223.276 0.865 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@@H]2C[C@]2(CO)C1 ZINC000782618746 585822809 /nfs/dbraw/zinc/82/28/09/585822809.db2.gz OLPSWZVFDZRSDL-SDDRHHMPSA-N 1 0 211.305 0.628 20 30 BCEDRO CO[C@@H]1CCC[N@H+](CC(=O)NCCC#N)CC1 ZINC000783018773 585827182 /nfs/dbraw/zinc/82/71/82/585827182.db2.gz QQDTUJUSDWXLBS-LLVKDONJSA-N 1 0 239.319 0.517 20 30 BCEDRO C#CCCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000783650394 585839406 /nfs/dbraw/zinc/83/94/06/585839406.db2.gz PNARFULJTPJYGQ-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C[NH+](C)CCCNC(=S)NCCCC#N ZINC000783756610 585842194 /nfs/dbraw/zinc/84/21/94/585842194.db2.gz KWUBIPUVGXBRIM-UHFFFAOYSA-N 1 0 228.365 0.706 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@H]1CCCO1 ZINC000783861300 585845042 /nfs/dbraw/zinc/84/50/42/585845042.db2.gz DJZAFCIGNXQQEM-VXNVDRBHSA-N 1 0 210.281 0.479 20 30 BCEDRO N#C[C@]1(F)CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000786435103 585891445 /nfs/dbraw/zinc/89/14/45/585891445.db2.gz CFERCFQQGXIRKN-VXGBXAGGSA-N 1 0 241.310 0.381 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000787324281 585906716 /nfs/dbraw/zinc/90/67/16/585906716.db2.gz IHFMXWQVYLUYGU-GHMZBOCLSA-N 1 0 225.288 0.520 20 30 BCEDRO C#CCCC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000787332732 585907064 /nfs/dbraw/zinc/90/70/64/585907064.db2.gz VOXUVNZFTOSUKT-QJPTWQEYSA-N 1 0 220.316 0.986 20 30 BCEDRO N#CCCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000787370967 585908045 /nfs/dbraw/zinc/90/80/45/585908045.db2.gz SOYTVERVHZPLKC-QWRGUYRKSA-N 1 0 236.319 0.826 20 30 BCEDRO CCC[N@H+](CC)CCNC(=O)NCCC#N ZINC000787371473 585908231 /nfs/dbraw/zinc/90/82/31/585908231.db2.gz IQCASTOYYOMQBI-UHFFFAOYSA-N 1 0 226.324 0.931 20 30 BCEDRO CC#CC(=O)NC[C@H](C)C[NH+]1CCN(C)CC1 ZINC000788307122 585921182 /nfs/dbraw/zinc/92/11/82/585921182.db2.gz YDCWYMWTOSBXJK-LBPRGKRZSA-N 1 0 237.347 0.009 20 30 BCEDRO CC#CC(=O)NC[C@@H](C)C[NH+]1CCN(C)CC1 ZINC000788307121 585921555 /nfs/dbraw/zinc/92/15/55/585921555.db2.gz YDCWYMWTOSBXJK-GFCCVEGCSA-N 1 0 237.347 0.009 20 30 BCEDRO CNC(=S)NN=C1CCC[C@@H]([NH+](C)C)C1 ZINC000788408727 585922605 /nfs/dbraw/zinc/92/26/05/585922605.db2.gz OHZIVIGVKFHRTN-SECBINFHSA-N 1 0 228.365 0.941 20 30 BCEDRO NC(=[NH2+])NN=Cc1ncc(C(F)(F)F)s1 ZINC000788425178 585922891 /nfs/dbraw/zinc/92/28/91/585922891.db2.gz PJPMKJCXGGOHFJ-UHFFFAOYSA-N 1 0 237.210 0.979 20 30 BCEDRO CCN(C)c1ccc(C=NNC(N)=[NH2+])cn1 ZINC000790152992 585958707 /nfs/dbraw/zinc/95/87/07/585958707.db2.gz AGVJUEASAAMOII-UHFFFAOYSA-N 1 0 220.280 0.355 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ncc[nH]1 ZINC000790173026 585959255 /nfs/dbraw/zinc/95/92/55/585959255.db2.gz CHVVPRXIINKUNF-ZCFIWIBFSA-N 1 0 206.253 0.071 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1ncc[nH]1 ZINC000790172997 585959306 /nfs/dbraw/zinc/95/93/06/585959306.db2.gz CHVVPRXIINKUNF-LURJTMIESA-N 1 0 206.253 0.071 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cn(C(C)(C)C)nn2)N1 ZINC000790174291 585959388 /nfs/dbraw/zinc/95/93/88/585959388.db2.gz ROIAMEVTOYFCMZ-QMMMGPOBSA-N 1 0 249.322 0.304 20 30 BCEDRO COc1cccc(C=NNC2=[NH+]C[C@H](C)N2)n1 ZINC000790175073 585959549 /nfs/dbraw/zinc/95/95/49/585959549.db2.gz YFPANJQSGQKZIW-QMMMGPOBSA-N 1 0 233.275 0.361 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cc(C)on1 ZINC000790297724 585962520 /nfs/dbraw/zinc/96/25/20/585962520.db2.gz OMBKFUVCMCWQEA-ZCFIWIBFSA-N 1 0 221.264 0.644 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1nccn1C ZINC000790301686 585963062 /nfs/dbraw/zinc/96/30/62/585963062.db2.gz HBCAXUYRXJCBFV-MRVPVSSYSA-N 1 0 207.281 0.770 20 30 BCEDRO C=C(CO)C(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000791315155 585977066 /nfs/dbraw/zinc/97/70/66/585977066.db2.gz ZOPDWUMTSGXLBQ-UHFFFAOYSA-N 1 0 238.331 0.622 20 30 BCEDRO C=C(CO)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000791338899 585977885 /nfs/dbraw/zinc/97/78/85/585977885.db2.gz CJPSDNFGMVGAPL-LBPRGKRZSA-N 1 0 238.331 0.622 20 30 BCEDRO C=C(CO)C(=O)NC1CC[NH+](CCCC)CC1 ZINC000791359471 585978881 /nfs/dbraw/zinc/97/88/81/585978881.db2.gz MVKIIMAKKPUMNN-UHFFFAOYSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000791370889 585979359 /nfs/dbraw/zinc/97/93/59/585979359.db2.gz SHKLEKMZJWQPBC-MWLCHTKSSA-N 1 0 226.320 0.334 20 30 BCEDRO C=C(CO)C(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000791388477 585980006 /nfs/dbraw/zinc/98/00/06/585980006.db2.gz WRYLGDLWXZNCJE-UWVGGRQHSA-N 1 0 224.304 0.276 20 30 BCEDRO CO[C@@]1(C)CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000791562498 585984136 /nfs/dbraw/zinc/98/41/36/585984136.db2.gz CWFKBAAVAMGKCV-LBPRGKRZSA-N 1 0 239.319 0.517 20 30 BCEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)CC1(O)CCC1 ZINC000859281365 589027058 /nfs/dbraw/zinc/02/70/58/589027058.db2.gz UGLLZYWQGRKCEG-NSHDSACASA-N 1 0 225.332 0.996 20 30 BCEDRO NC(=O)[C@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000792217285 585998058 /nfs/dbraw/zinc/99/80/58/585998058.db2.gz MPQVQZQPZTXRRZ-ZDUSSCGKSA-N 1 0 228.295 0.845 20 30 BCEDRO C[NH+](C)CCCOC(=O)c1c[nH]c(C#N)c1 ZINC000792234982 585998380 /nfs/dbraw/zinc/99/83/80/585998380.db2.gz LPADSNYDQPNDOM-UHFFFAOYSA-N 1 0 221.260 0.995 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)COc1ccccc1C#N ZINC000859275614 589027274 /nfs/dbraw/zinc/02/72/74/589027274.db2.gz PGOWOEFMXCKJIA-ZDUSSCGKSA-N 1 0 244.294 0.863 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@H]1[C@@H]1CCCO1 ZINC000792926607 586006921 /nfs/dbraw/zinc/00/69/21/586006921.db2.gz MXMSCHNBGOWBBV-RYUDHWBXSA-N 1 0 236.315 0.379 20 30 BCEDRO Cc1nc(C)c(C=NNC2=[NH+]C[C@H](C)N2)o1 ZINC000793040302 586008739 /nfs/dbraw/zinc/00/87/39/586008739.db2.gz SXCOSYMGLBAJNS-LURJTMIESA-N 1 0 221.264 0.563 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@H](O)CC(=O)OCC ZINC000859281614 589027506 /nfs/dbraw/zinc/02/75/06/589027506.db2.gz UAMPMKGVAAQSDV-VHSXEESVSA-N 1 0 213.277 0.254 20 30 BCEDRO C[C@@H]1CN(C(=O)c2ccnc(C#N)c2)CCN1C ZINC000793572466 586023402 /nfs/dbraw/zinc/02/34/02/586023402.db2.gz KUVGICQKBXXPMR-SNVBAGLBSA-N 1 0 244.298 0.729 20 30 BCEDRO C=C(CO)C(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000793836549 586027823 /nfs/dbraw/zinc/02/78/23/586027823.db2.gz YFZKLFDTKPTTTI-SNVBAGLBSA-N 1 0 214.309 0.380 20 30 BCEDRO COc1cc2c(cc1OC)C(=NNC(N)=[NH2+])CC2 ZINC000794489103 586040706 /nfs/dbraw/zinc/04/07/06/586040706.db2.gz RZOSJZGUGPVWAH-UHFFFAOYSA-N 1 0 248.286 0.837 20 30 BCEDRO C=CCN(CCC#N)CCN1CCOC1=O ZINC000794734791 586047561 /nfs/dbraw/zinc/04/75/61/586047561.db2.gz OPAHDWBTSQDXJV-UHFFFAOYSA-N 1 0 223.276 0.840 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc2c(c1)OCC(=O)N2 ZINC000794888584 586053601 /nfs/dbraw/zinc/05/36/01/586053601.db2.gz PVYDYMACKMHYKD-UHFFFAOYSA-N 1 0 247.258 0.225 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)CC1(O)CCC1 ZINC000859282102 589027941 /nfs/dbraw/zinc/02/79/41/589027941.db2.gz ZZRQPRIJDBSSPA-WDEREUQCSA-N 1 0 211.305 0.606 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000794951683 586057471 /nfs/dbraw/zinc/05/74/71/586057471.db2.gz CLWDIOOQESABJS-IJLUTSLNSA-N 1 0 223.320 0.551 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000794951685 586057540 /nfs/dbraw/zinc/05/75/40/586057540.db2.gz CLWDIOOQESABJS-WOPDTQHZSA-N 1 0 223.320 0.551 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NOCCOC(C)C ZINC000795070099 586067979 /nfs/dbraw/zinc/06/79/79/586067979.db2.gz VVQNMVLSKVWVHC-UHFFFAOYSA-N 1 0 230.308 0.577 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H](CS(C)(=O)=O)C1 ZINC000795087731 586068380 /nfs/dbraw/zinc/06/83/80/586068380.db2.gz RIQYYUIKIZNMPT-NSHDSACASA-N 1 0 229.345 0.766 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@](C)(OC)CC1 ZINC000796500905 586105529 /nfs/dbraw/zinc/10/55/29/586105529.db2.gz RSCBOCMDUOKJRT-ZDUSSCGKSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)C[N@@H+](CC1CCC1)[C@H](C)CO ZINC000796546689 586106629 /nfs/dbraw/zinc/10/66/29/586106629.db2.gz NDPXTIXDZGCIAL-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCCC[N@@H+](CCO)[C@@H]1CCO[C@@H]1C ZINC000796579506 586107728 /nfs/dbraw/zinc/10/77/28/586107728.db2.gz NHLJUYOQZQKJSE-VXGBXAGGSA-N 1 0 211.305 0.872 20 30 BCEDRO C[C@H](C[C@H]1CCOC1)[NH2+]CCn1cnc(C#N)n1 ZINC000797089653 586120006 /nfs/dbraw/zinc/12/00/06/586120006.db2.gz YULDNFPBHMRVCF-GHMZBOCLSA-N 1 0 249.318 0.554 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC1(O)CCCC1 ZINC000798291226 586142272 /nfs/dbraw/zinc/14/22/72/586142272.db2.gz PLMAKUVUSMNBHJ-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C(CO)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000798289361 586142370 /nfs/dbraw/zinc/14/23/70/586142370.db2.gz DFZJMLTXDSAXIA-UHFFFAOYSA-N 1 0 212.293 0.135 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@](C)(O)C1 ZINC000798303805 586142629 /nfs/dbraw/zinc/14/26/29/586142629.db2.gz VPJWYOKTIRVZEH-NSHDSACASA-N 1 0 212.293 0.088 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)[C@H](CC)[NH+](C)C ZINC000799078095 586156015 /nfs/dbraw/zinc/15/60/15/586156015.db2.gz XXQMDPJEKFFUJV-MNOVXSKESA-N 1 0 226.320 0.217 20 30 BCEDRO C=C1CC[NH+]([C@H]2CCC(=O)NC2=O)CC1 ZINC000799122498 586159698 /nfs/dbraw/zinc/15/96/98/586159698.db2.gz QEFPQVKIOAKIGK-VIFPVBQESA-N 1 0 208.261 0.444 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H]3C[C@@H]32)C1=O ZINC000799148059 586160674 /nfs/dbraw/zinc/16/06/74/586160674.db2.gz RKUCSZKUSQQREO-VWYCJHECSA-N 1 0 206.289 0.868 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H]1CCN(CC=C)C1=O ZINC000799146377 586161817 /nfs/dbraw/zinc/16/18/17/586161817.db2.gz DXXQKZCXROYDNJ-LBPRGKRZSA-N 1 0 236.315 0.355 20 30 BCEDRO C#CCCC[N@H+]1CCN(C[C@@H](C)O)C[C@@H]1C ZINC000800374498 586213786 /nfs/dbraw/zinc/21/37/86/586213786.db2.gz KTYFZVAAPPISEA-QWHCGFSZSA-N 1 0 224.348 0.787 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC)C2)nc1 ZINC000839900758 586214511 /nfs/dbraw/zinc/21/45/11/586214511.db2.gz VHTMOILDYLLCNN-GFCCVEGCSA-N 1 0 243.310 0.887 20 30 BCEDRO Cc1cc(C)cc([C@@H](O)C[NH2+]CC#CCO)c1 ZINC000843080216 586225455 /nfs/dbraw/zinc/22/54/55/586225455.db2.gz QTEMDDRRFOUKOS-AWEZNQCLSA-N 1 0 233.311 0.922 20 30 BCEDRO C#CCCC[NH+]1CCN(c2nccnn2)CC1 ZINC000859408870 589035932 /nfs/dbraw/zinc/03/59/32/589035932.db2.gz KHSZXQWVMCYCER-UHFFFAOYSA-N 1 0 231.303 0.407 20 30 BCEDRO CC#CC(=O)NCCC[N@@H+]1CCCO[C@H](C)C1 ZINC000801243936 586249933 /nfs/dbraw/zinc/24/99/33/586249933.db2.gz APJPGMFUFWYWEI-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)[C@@H]1CCCCNC1=O ZINC000801917747 586276251 /nfs/dbraw/zinc/27/62/51/586276251.db2.gz NRPBVEMUVQVARV-GHMZBOCLSA-N 1 0 239.319 0.516 20 30 BCEDRO COC(=O)C[C@H]([NH2+]CCO[C@H](C)C#N)C1CC1 ZINC000801940100 586280539 /nfs/dbraw/zinc/28/05/39/586280539.db2.gz YBGQRKVCJCZYSO-KOLCDFICSA-N 1 0 240.303 0.846 20 30 BCEDRO C[C@H](C#N)OCCN1CC[N@H+](C)CC1(C)C ZINC000801940277 586280919 /nfs/dbraw/zinc/28/09/19/586280919.db2.gz MURCMIJDLDGPGP-LLVKDONJSA-N 1 0 225.336 0.941 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)CC1(O)CCC1 ZINC000801941358 586280965 /nfs/dbraw/zinc/28/09/65/586280965.db2.gz MIWYNXHINJPHKP-SNVBAGLBSA-N 1 0 212.293 0.762 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)C1(CO)CCOCC1 ZINC000801950708 586282308 /nfs/dbraw/zinc/28/23/08/586282308.db2.gz ZKSQNPIYGMMBEQ-NSHDSACASA-N 1 0 242.319 0.388 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1(CCO)CCCC1 ZINC000804253244 586386021 /nfs/dbraw/zinc/38/60/21/586386021.db2.gz ZOQRGFMPYTXDDP-UHFFFAOYSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C(CO)C(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000804379302 586393835 /nfs/dbraw/zinc/39/38/35/586393835.db2.gz KGGUGUDMIAJYGY-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO CC[N@@H+]1CCN(C(=O)C=NOC)[C@H](C)C1 ZINC000804379493 586393865 /nfs/dbraw/zinc/39/38/65/586393865.db2.gz MEPHMTZTFSCZSW-SECBINFHSA-N 1 0 213.281 0.171 20 30 BCEDRO C=C(CO)C(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000804379309 586394183 /nfs/dbraw/zinc/39/41/83/586394183.db2.gz KGGUGUDMIAJYGY-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCOC[C@@H]1C ZINC000804616175 586403631 /nfs/dbraw/zinc/40/36/31/586403631.db2.gz AHZMWCYKEIIZLI-RYUDHWBXSA-N 1 0 240.347 0.893 20 30 BCEDRO C#Cc1cncc(C(=O)N[C@@H]2CCC[N@@H+](C)C2)c1 ZINC000806544664 586413866 /nfs/dbraw/zinc/41/38/66/586413866.db2.gz AGBQKHFKQDKEQY-CYBMUJFWSA-N 1 0 243.310 0.887 20 30 BCEDRO CC(C)(O)c1ccc(C=NNC(N)=[NH2+])cc1 ZINC000807961800 586453120 /nfs/dbraw/zinc/45/31/20/586453120.db2.gz FTPPNMHEUUCOIH-UHFFFAOYSA-N 1 0 220.276 0.731 20 30 BCEDRO CON=CC(=O)NCC(C)(C)[NH+]1CCCCC1 ZINC000809540133 586505926 /nfs/dbraw/zinc/50/59/26/586505926.db2.gz LNEYNPSSBVJMLA-UHFFFAOYSA-N 1 0 241.335 0.999 20 30 BCEDRO C[N@H+](CCc1nccs1)C[C@H](O)CC#N ZINC000809576868 586507886 /nfs/dbraw/zinc/50/78/86/586507886.db2.gz RNBIRQQCYQVFBA-SECBINFHSA-N 1 0 225.317 0.892 20 30 BCEDRO CON=CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000809612851 586509363 /nfs/dbraw/zinc/50/93/63/586509363.db2.gz BVLCSBSAVBRRNP-ZJUUUORDSA-N 1 0 225.292 0.362 20 30 BCEDRO CON=CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000809615688 586509604 /nfs/dbraw/zinc/50/96/04/586509604.db2.gz KIWHYBFPDYLCKC-NSHDSACASA-N 1 0 239.319 0.705 20 30 BCEDRO CON=CC(=O)N1CCC[C@@H]([NH+](C)C)CC1 ZINC000809797886 586520740 /nfs/dbraw/zinc/52/07/40/586520740.db2.gz FZDHMYQBRVUWER-SNVBAGLBSA-N 1 0 227.308 0.561 20 30 BCEDRO CCN(CCC[NH+]1CCCC1)C(=O)C=NOC ZINC000809795191 586520889 /nfs/dbraw/zinc/52/08/89/586520889.db2.gz NLRJXIYNKLRCPP-UHFFFAOYSA-N 1 0 241.335 0.953 20 30 BCEDRO CC(N=NC(N)=[NH2+])[C@@H](C)NC(=O)OC(C)(C)C ZINC000811638164 586562249 /nfs/dbraw/zinc/56/22/49/586562249.db2.gz IZLUOXOOJHYABJ-ZCFIWIBFSA-N 1 0 243.311 0.759 20 30 BCEDRO COC[C@@H](C)N[NH+]=Cc1cnc(N(C)C)n1C ZINC000811646894 586562531 /nfs/dbraw/zinc/56/25/31/586562531.db2.gz PSGLTGHLAAPZPF-SECBINFHSA-N 1 0 239.323 0.445 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000812005003 586569587 /nfs/dbraw/zinc/56/95/87/586569587.db2.gz ZSGFGXFHFVAUSR-RYUDHWBXSA-N 1 0 235.331 0.888 20 30 BCEDRO CC[N@@H+](CC(=O)NCCC#N)C[C@@H](C)OC ZINC000812909263 586588939 /nfs/dbraw/zinc/58/89/39/586588939.db2.gz TZYLDTQOKKHZSN-SNVBAGLBSA-N 1 0 227.308 0.373 20 30 BCEDRO C[C@H]1CC(NC(=O)CC2CC[NH+](C)CC2)=NO1 ZINC000813503843 586602424 /nfs/dbraw/zinc/60/24/24/586602424.db2.gz VFWXICOGCYFMEU-VIFPVBQESA-N 1 0 239.319 0.957 20 30 BCEDRO C#CCOCCC(=O)NC[C@@H](C)C[NH+](C)C ZINC000814138610 586614554 /nfs/dbraw/zinc/61/45/54/586614554.db2.gz XYSDSMQCHMQYIM-LLVKDONJSA-N 1 0 226.320 0.340 20 30 BCEDRO Cn1ncc(C=[NH+][N-]c2ccc(F)cn2)c1N ZINC000814842720 586638330 /nfs/dbraw/zinc/63/83/30/586638330.db2.gz QCENQKFQXXMOHA-UHFFFAOYSA-N 1 0 234.238 0.982 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2COc3cc(F)ccc32)N1 ZINC000814897161 586645073 /nfs/dbraw/zinc/64/50/73/586645073.db2.gz GITCPDBKJMPAPR-SSDOTTSWSA-N 1 0 248.261 0.860 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCS[C@@H]2C)=[NH+]1 ZINC000814897815 586645658 /nfs/dbraw/zinc/64/56/58/586645658.db2.gz NDHVSXXZIGHYIC-RNFRBKRXSA-N 1 0 212.322 0.805 20 30 BCEDRO CC(C)N(C)c1ccc(C=[NH+]NCCO)cn1 ZINC000814942638 586656997 /nfs/dbraw/zinc/65/69/97/586656997.db2.gz NGYAWKCSDDYPLO-UHFFFAOYSA-N 1 0 236.319 0.842 20 30 BCEDRO CC(C)[N@@H+]1CC(N=NC[C@H](C)O)[C@@H](C)C1 ZINC000814960980 586659464 /nfs/dbraw/zinc/65/94/64/586659464.db2.gz WIPXXPKAVJZFEU-UWVGGRQHSA-N 1 0 213.325 0.673 20 30 BCEDRO CC(N=Nc1cnnn1C)C1CC[NH+](C)CC1 ZINC000814981852 586663052 /nfs/dbraw/zinc/66/30/52/586663052.db2.gz QNAFYEOIADOHRG-UHFFFAOYSA-N 1 0 236.323 0.945 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)C[C@@H]1CCOC1 ZINC000815020329 586664323 /nfs/dbraw/zinc/66/43/23/586664323.db2.gz BKTIACWZIDFDJJ-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO C=CCOCC[N@@H+](CC)CC(=O)NC ZINC000815020714 586664536 /nfs/dbraw/zinc/66/45/36/586664536.db2.gz DHPLLLDXQNOMJQ-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](OCC)C1 ZINC000815050842 586664650 /nfs/dbraw/zinc/66/46/50/586664650.db2.gz IAJZHBQUBFWVPB-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H](OCC)C1 ZINC000815050843 586664813 /nfs/dbraw/zinc/66/48/13/586664813.db2.gz IAJZHBQUBFWVPB-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CCN1CC[N@@H+](CC)[C@H](C)C1 ZINC000815075969 586665373 /nfs/dbraw/zinc/66/53/73/586665373.db2.gz QNHMYDLTBIAYFI-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO COC[C@@H]([NH2+]CCOCCC#N)[C@H]1CCCO1 ZINC000815102450 586666566 /nfs/dbraw/zinc/66/65/66/586666566.db2.gz IZORVYOZDHXRHY-VXGBXAGGSA-N 1 0 242.319 0.700 20 30 BCEDRO CCO[C@H]1COCC[C@@H]1[NH2+]CCOCCC#N ZINC000815095062 586666802 /nfs/dbraw/zinc/66/68/02/586666802.db2.gz LKDYACQKDVPLRG-RYUDHWBXSA-N 1 0 242.319 0.700 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000815121581 586667710 /nfs/dbraw/zinc/66/77/10/586667710.db2.gz WPGGGBLEFVWWTQ-URLYPYJESA-N 1 0 225.288 0.540 20 30 BCEDRO CC[N@H+](CCO[C@H](C)C#N)[C@@H](C)CO ZINC000815186206 586672941 /nfs/dbraw/zinc/67/29/41/586672941.db2.gz YXCOMTWGSOMMSW-VHSXEESVSA-N 1 0 200.282 0.618 20 30 BCEDRO C=CCC(F)(F)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000816111326 586709357 /nfs/dbraw/zinc/70/93/57/586709357.db2.gz VNXCMCXPMRROJZ-JTQLQIEISA-N 1 0 248.273 0.381 20 30 BCEDRO C#CCCCC(=O)NC[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000816531402 586739585 /nfs/dbraw/zinc/73/95/85/586739585.db2.gz QGVNBJTTXSDBKK-CYBMUJFWSA-N 1 0 249.358 0.296 20 30 BCEDRO CON=CC(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000816643746 586747827 /nfs/dbraw/zinc/74/78/27/586747827.db2.gz PELLXTXICNFFPF-UHFFFAOYSA-N 1 0 239.319 0.563 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000816871739 586768813 /nfs/dbraw/zinc/76/88/13/586768813.db2.gz SAFCXBXFPPGXKI-SRVKXCTJSA-N 1 0 240.347 0.770 20 30 BCEDRO C#Cc1cnc(N(C)C[C@H]2CCC[N@@H+]2C)nc1 ZINC000817131880 586783386 /nfs/dbraw/zinc/78/33/86/586783386.db2.gz TYWXCBDSVVCTRJ-GFCCVEGCSA-N 1 0 230.315 0.988 20 30 BCEDRO CN(C[C@@H]1CCC[N@@H+]1C)C(=O)C#CC1CC1 ZINC000817677860 586817733 /nfs/dbraw/zinc/81/77/33/586817733.db2.gz ICAHPTXCECRTIT-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000818170179 586877881 /nfs/dbraw/zinc/87/78/81/586877881.db2.gz LZCIQMMGRQAJAV-CYBMUJFWSA-N 1 0 238.331 0.479 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCc1nccnc1C ZINC000818540086 586898996 /nfs/dbraw/zinc/89/89/96/586898996.db2.gz DPAYCUNHDQOPII-UHFFFAOYSA-N 1 0 248.330 0.562 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CC)C(C)(C)O ZINC000818580323 586903051 /nfs/dbraw/zinc/90/30/51/586903051.db2.gz FVWACKAXOYDCIQ-SNVBAGLBSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000818653953 586908807 /nfs/dbraw/zinc/90/88/07/586908807.db2.gz YDMFRCYVRYBEPZ-RKDXNWHRSA-N 1 0 213.281 0.673 20 30 BCEDRO CC[C@H](O)C[NH2+]CCNc1ccc(C#N)cn1 ZINC000818952628 586917148 /nfs/dbraw/zinc/91/71/48/586917148.db2.gz SGOQCRBJTNTOJK-NSHDSACASA-N 1 0 234.303 0.726 20 30 BCEDRO CC[C@@H](O)C[NH2+]CCNc1ccc(C#N)cn1 ZINC000818952627 586917327 /nfs/dbraw/zinc/91/73/27/586917327.db2.gz SGOQCRBJTNTOJK-LLVKDONJSA-N 1 0 234.303 0.726 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)Cc1ccco1 ZINC000818953039 586917245 /nfs/dbraw/zinc/91/72/45/586917245.db2.gz GYIBYZYERFGMRT-NSHDSACASA-N 1 0 234.299 0.940 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCC[C@H]1O ZINC000818988734 586919818 /nfs/dbraw/zinc/91/98/18/586919818.db2.gz SESUCXYFNOGPLU-WDEREUQCSA-N 1 0 224.304 0.019 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@]1(O)CCC[C@@H]1C ZINC000818991810 586920834 /nfs/dbraw/zinc/92/08/34/586920834.db2.gz FMQLVZLHFWADES-AAEUAGOBSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCCC[NH2+]C[C@H](O)COC1CCOCC1 ZINC000819116803 586931501 /nfs/dbraw/zinc/93/15/01/586931501.db2.gz ZOLJDRGERZGPIY-LBPRGKRZSA-N 1 0 241.331 0.546 20 30 BCEDRO CON(C)C(=O)CC[NH2+]CC(C)(C)C#N ZINC000819218514 586939179 /nfs/dbraw/zinc/93/91/79/586939179.db2.gz HUEDLECGHWHODW-UHFFFAOYSA-N 1 0 213.281 0.536 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)COCC(C)C ZINC000819227965 586940128 /nfs/dbraw/zinc/94/01/28/586940128.db2.gz FXPPKECCRNOJED-GFCCVEGCSA-N 1 0 229.320 0.259 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](C)S(C)(=O)=O)[C@@H]1CCCO1 ZINC000819242088 586940392 /nfs/dbraw/zinc/94/03/92/586940392.db2.gz JKLLPOCZNIUKIK-VWYCJHECSA-N 1 0 245.344 0.190 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)CCOCC ZINC000819231384 586941256 /nfs/dbraw/zinc/94/12/56/586941256.db2.gz UZNWJYHIUWPOOG-NSHDSACASA-N 1 0 215.293 0.013 20 30 BCEDRO CCOC(=O)CC[C@@H](O)C[NH2+]CCC#N ZINC000819269391 586945242 /nfs/dbraw/zinc/94/52/42/586945242.db2.gz GZGGMLYEDDAEQF-SECBINFHSA-N 1 0 214.265 0.194 20 30 BCEDRO CCOCC[C@H](O)C[NH2+]Cc1ccc(C#N)cn1 ZINC000819311596 586950253 /nfs/dbraw/zinc/95/02/53/586950253.db2.gz LIDSCUSDMCILNP-ZDUSSCGKSA-N 1 0 249.314 0.830 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1ccns1 ZINC000860062135 589078497 /nfs/dbraw/zinc/07/84/97/589078497.db2.gz RGMZYZZDBPQECN-VIFPVBQESA-N 1 0 237.328 0.933 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](CO)C[C@H]1C ZINC000860089598 589079777 /nfs/dbraw/zinc/07/97/77/589079777.db2.gz KDZIXARDANOUKW-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO C[C@@H](C#N)CNN=C1CC[NH+](CCO)CC1 ZINC000819809745 586995158 /nfs/dbraw/zinc/99/51/58/586995158.db2.gz YBIPJOHGNWHBOI-JTQLQIEISA-N 1 0 224.308 0.180 20 30 BCEDRO OCC[NH+]1CCC(=NNCC(F)F)CC1 ZINC000819807762 586995930 /nfs/dbraw/zinc/99/59/30/586995930.db2.gz FLFTZKNZXFBUIZ-UHFFFAOYSA-N 1 0 221.251 0.285 20 30 BCEDRO CC(C)CNN=C1CC[NH+](CCO)CC1 ZINC000819813267 586997967 /nfs/dbraw/zinc/99/79/67/586997967.db2.gz VPOHNROLVQRYAF-UHFFFAOYSA-N 1 0 213.325 0.676 20 30 BCEDRO C[C@@H](O)CN(C)[NH+]=Cc1ccncc1N ZINC000819813606 586998186 /nfs/dbraw/zinc/99/81/86/586998186.db2.gz PUAHJGDDRUQWCP-MRVPVSSYSA-N 1 0 208.265 0.310 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000820065121 587016900 /nfs/dbraw/zinc/01/69/00/587016900.db2.gz UCCAHYPNBIQXJI-NEPJUHHUSA-N 1 0 240.347 0.607 20 30 BCEDRO C#CCC[NH2+][C@H]1CCO[C@H]1c1nc(C)no1 ZINC000860149383 589082449 /nfs/dbraw/zinc/08/24/49/589082449.db2.gz NPJVXBWIJHVYPE-VHSXEESVSA-N 1 0 221.260 0.821 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860167976 589082540 /nfs/dbraw/zinc/08/25/40/589082540.db2.gz NYHPPECNLIWWAV-NXEZZACHSA-N 1 0 211.261 0.294 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000820427835 587048148 /nfs/dbraw/zinc/04/81/48/587048148.db2.gz LBHCTDWRSSAFLY-NEPJUHHUSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000820427836 587048309 /nfs/dbraw/zinc/04/83/09/587048309.db2.gz LBHCTDWRSSAFLY-NWDGAFQWSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000820429257 587048383 /nfs/dbraw/zinc/04/83/83/587048383.db2.gz WHQBJVAJZPMYTD-TUAOUCFPSA-N 1 0 235.331 0.886 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000820429258 587048418 /nfs/dbraw/zinc/04/84/18/587048418.db2.gz WHQBJVAJZPMYTD-UTUOFQBUSA-N 1 0 235.331 0.886 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[NH+](C2CCC2)CC1 ZINC000820435306 587048851 /nfs/dbraw/zinc/04/88/51/587048851.db2.gz HVJRQFBVZUELHT-NSHDSACASA-N 1 0 235.331 0.888 20 30 BCEDRO C#C[C@H](C)NC(=O)NCCNc1cc[nH+]cc1 ZINC000820435917 587048987 /nfs/dbraw/zinc/04/89/87/587048987.db2.gz QDDHVCZRNSYPOF-JTQLQIEISA-N 1 0 232.287 0.236 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CC(C)(C)[NH2+]C(C)(C)C1 ZINC000820445578 587049721 /nfs/dbraw/zinc/04/97/21/587049721.db2.gz GDNDBSQIAQRDPP-JTQLQIEISA-N 1 0 240.347 0.959 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCC[NH+](C)C ZINC000820647187 587059232 /nfs/dbraw/zinc/05/92/32/587059232.db2.gz OSDKSLFPGYWVBA-SNVBAGLBSA-N 1 0 211.309 0.649 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CC1(C)COC1 ZINC000820688473 587066037 /nfs/dbraw/zinc/06/60/37/587066037.db2.gz SLZTUVLALUSASE-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H]2COC(=O)[C@@H]2C1 ZINC000860160251 589084215 /nfs/dbraw/zinc/08/42/15/589084215.db2.gz NIVARPCJSVHCSG-OUAUKWLOSA-N 1 0 225.288 0.418 20 30 BCEDRO C=C(C)COCCNC(=O)C[NH+]1CCCC1 ZINC000820959241 587084392 /nfs/dbraw/zinc/08/43/92/587084392.db2.gz GXEZKHWHLQISDN-UHFFFAOYSA-N 1 0 226.320 0.791 20 30 BCEDRO C#CC[NH2+][C@@H](c1cnn(C)c1)C1(CO)CCC1 ZINC000821288754 587105009 /nfs/dbraw/zinc/10/50/09/587105009.db2.gz WLWBJPMJKBSVQY-LBPRGKRZSA-N 1 0 233.315 0.847 20 30 BCEDRO C[C@@H]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)=NO1 ZINC000821399484 587117440 /nfs/dbraw/zinc/11/74/40/587117440.db2.gz JZXYIIXZNGSCPH-BDAKNGLRSA-N 1 0 225.292 0.567 20 30 BCEDRO C#C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@@H]1CCCO1 ZINC000822073791 587150935 /nfs/dbraw/zinc/15/09/35/587150935.db2.gz UGMXJZMRDDEEEL-MXWKQRLJSA-N 1 0 224.304 0.234 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[NH+]1CCCC1 ZINC000822236582 587158804 /nfs/dbraw/zinc/15/88/04/587158804.db2.gz GHODKFDAWOMWTG-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000822235554 587159309 /nfs/dbraw/zinc/15/93/09/587159309.db2.gz MFKZGLZFLVFBEX-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](CS(=O)(=O)NC)C1 ZINC000860193314 589088498 /nfs/dbraw/zinc/08/84/98/589088498.db2.gz DRFIVHBVWUCVAL-NSHDSACASA-N 1 0 244.360 0.271 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C1(C[NH+](C)C)CC1 ZINC000822472360 587170186 /nfs/dbraw/zinc/17/01/86/587170186.db2.gz JIJBMZHIKCDTAT-JTQLQIEISA-N 1 0 208.305 0.808 20 30 BCEDRO N#CCC1(CNC(=O)C[NH+]2CCCC2)CC1 ZINC000822628147 587178482 /nfs/dbraw/zinc/17/84/82/587178482.db2.gz QJNQFWLRGOCUIC-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000822680919 587181029 /nfs/dbraw/zinc/18/10/29/587181029.db2.gz WLXSDSDANGAKAZ-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H](C)[NH+]1CCCCC1 ZINC000822954139 587195235 /nfs/dbraw/zinc/19/52/35/587195235.db2.gz ULSRZCNYEJDUME-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000823025540 587198707 /nfs/dbraw/zinc/19/87/07/587198707.db2.gz RHUFTJSZWYMZFG-NEPJUHHUSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(CCC)CC[NH+](C)C ZINC000823123705 587203890 /nfs/dbraw/zinc/20/38/90/587203890.db2.gz FTUGOIVCKNCAIQ-LBPRGKRZSA-N 1 0 240.347 0.825 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(CCC)CC[NH+](C)C ZINC000823123704 587203977 /nfs/dbraw/zinc/20/39/77/587203977.db2.gz FTUGOIVCKNCAIQ-GFCCVEGCSA-N 1 0 240.347 0.825 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)CCCC ZINC000823275920 587213258 /nfs/dbraw/zinc/21/32/58/587213258.db2.gz APRKPHLFRKXBSR-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO C#C[C@@H](CO)NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000823313644 587215966 /nfs/dbraw/zinc/21/59/66/587215966.db2.gz BRDKMWQOCPHGRB-CMPLNLGQSA-N 1 0 236.315 0.114 20 30 BCEDRO C#C[C@H](CO)NC(=O)C[N@@H+](C)CC(C)(C)C ZINC000823315732 587216287 /nfs/dbraw/zinc/21/62/87/587216287.db2.gz RSTYUWWCOJZWHM-SNVBAGLBSA-N 1 0 226.320 0.075 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000823541239 587230370 /nfs/dbraw/zinc/23/03/70/587230370.db2.gz KHDGDQXFFDDKMP-NEPJUHHUSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CC[C@@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000824870694 587291587 /nfs/dbraw/zinc/29/15/87/587291587.db2.gz XNTOXXCLKAWAKG-GHMZBOCLSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CC[C@H](COC)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000825080831 587303343 /nfs/dbraw/zinc/30/33/43/587303343.db2.gz XSXWURNLZXMFSS-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C[C@@H]1CCC[N@@H+]1CCNc1ncncc1C#N ZINC000825790676 587339449 /nfs/dbraw/zinc/33/94/49/587339449.db2.gz PVQXVRBTYXAELV-SNVBAGLBSA-N 1 0 231.303 0.666 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000826588402 587356059 /nfs/dbraw/zinc/35/60/59/587356059.db2.gz WHOLDNLIEDVSPG-MNOVXSKESA-N 1 0 226.320 0.522 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000826722659 587360046 /nfs/dbraw/zinc/36/00/46/587360046.db2.gz UXYUZMICFRFIHH-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000826805440 587362829 /nfs/dbraw/zinc/36/28/29/587362829.db2.gz QYTKGZSXWJNXCM-SNVBAGLBSA-N 1 0 224.304 0.235 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)CCC ZINC000827117805 587370368 /nfs/dbraw/zinc/37/03/68/587370368.db2.gz PQHVUGURJKCLDM-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000827246437 587373983 /nfs/dbraw/zinc/37/39/83/587373983.db2.gz RECQBZRWAAUOBD-WZRBSPASSA-N 1 0 238.331 0.476 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H](CC(C)C)[NH+](C)C ZINC000827488788 587382704 /nfs/dbraw/zinc/38/27/04/587382704.db2.gz LEEVLQNRHBHZAM-MNOVXSKESA-N 1 0 228.336 0.626 20 30 BCEDRO C#C[C@H]([NH2+]Cc1ccnn1C)C1CCOCC1 ZINC000827570130 587389413 /nfs/dbraw/zinc/38/94/13/587389413.db2.gz IOIPUYTZZUOJTC-ZDUSSCGKSA-N 1 0 233.315 0.938 20 30 BCEDRO C#Cc1cnc(N(C)CC[N@H+](C)C2CC2)nc1 ZINC000827933600 587411071 /nfs/dbraw/zinc/41/10/71/587411071.db2.gz ZAZILZFLMUBDJG-UHFFFAOYSA-N 1 0 230.315 0.988 20 30 BCEDRO CC[C@@H]1OCC[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000827972297 587413819 /nfs/dbraw/zinc/41/38/19/587413819.db2.gz YMMAVWOYSOZZAE-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccc(C=O)cn1 ZINC000827972261 587413839 /nfs/dbraw/zinc/41/38/39/587413839.db2.gz XSAVUGGFYYWZFX-UHFFFAOYSA-N 1 0 245.282 0.189 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000828839421 587465759 /nfs/dbraw/zinc/46/57/59/587465759.db2.gz BMLVOPXAGPFSRU-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)c1ccnn1C ZINC000828921360 587472134 /nfs/dbraw/zinc/47/21/34/587472134.db2.gz DBHUJEBGUTWQPO-JTQLQIEISA-N 1 0 236.319 0.715 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CCC)[C@@H]1CCCO1 ZINC000828954189 587475628 /nfs/dbraw/zinc/47/56/28/587475628.db2.gz QMFHQMFOSLOJGV-WOPDTQHZSA-N 1 0 211.305 0.918 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000829706014 587510840 /nfs/dbraw/zinc/51/08/40/587510840.db2.gz XOYQHZZEHPATKZ-GVXVVHGQSA-N 1 0 240.347 0.912 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)N(C)C)C1 ZINC000829768592 587514684 /nfs/dbraw/zinc/51/46/84/587514684.db2.gz HEJDDEIKCFLHDB-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000829773638 587515165 /nfs/dbraw/zinc/51/51/65/587515165.db2.gz HMKGICXLJFTGBV-ZJUUUORDSA-N 1 0 237.303 0.305 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000829773636 587515174 /nfs/dbraw/zinc/51/51/74/587515174.db2.gz HMKGICXLJFTGBV-UWVGGRQHSA-N 1 0 237.303 0.305 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC1([NH+](C)C)CCC1 ZINC000829793066 587516750 /nfs/dbraw/zinc/51/67/50/587516750.db2.gz LGGKQIZFUMRPAS-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC1CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000830311049 587545634 /nfs/dbraw/zinc/54/56/34/587545634.db2.gz CGTCFMOJPPXFMT-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C=C(Cl)CN1C(=O)N[C@]2(CCC[NH2+]C2)C1=O ZINC000830546183 587557009 /nfs/dbraw/zinc/55/70/09/587557009.db2.gz SXJXFHOQFJXKCM-JTQLQIEISA-N 1 0 243.694 0.413 20 30 BCEDRO CC(C)C#CC(=O)N[C@@H](C)[C@H]1CN(C)CCO1 ZINC000830628310 587561703 /nfs/dbraw/zinc/56/17/03/587561703.db2.gz QYWMGZKZRPRBOG-NWDGAFQWSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCCC[N@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000830866433 587574906 /nfs/dbraw/zinc/57/49/06/587574906.db2.gz YCXQCNQIEIMDCG-WDEREUQCSA-N 1 0 225.288 0.256 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cc(OC)ccn1 ZINC000830905921 587577020 /nfs/dbraw/zinc/57/70/20/587577020.db2.gz HLNFVDHXIRWYBO-UHFFFAOYSA-N 1 0 249.314 0.824 20 30 BCEDRO C#CCNC(=O)C[N@H+](CC)CCSC ZINC000830993877 587580631 /nfs/dbraw/zinc/58/06/31/587580631.db2.gz GZZPZQUFIJXVKH-UHFFFAOYSA-N 1 0 214.334 0.421 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000831088229 587585801 /nfs/dbraw/zinc/58/58/01/587585801.db2.gz ULYVKWPCEVCDCV-JQWIXIFHSA-N 1 0 223.320 0.695 20 30 BCEDRO C#CCSCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000831132898 587586986 /nfs/dbraw/zinc/58/69/86/587586986.db2.gz NALTZAVAEUHVJG-NXEZZACHSA-N 1 0 243.376 0.778 20 30 BCEDRO C#CCSCCNC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000831132900 587587031 /nfs/dbraw/zinc/58/70/31/587587031.db2.gz NALTZAVAEUHVJG-VHSXEESVSA-N 1 0 243.376 0.778 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCCn2nccc21 ZINC000831183597 587590231 /nfs/dbraw/zinc/59/02/31/587590231.db2.gz WNLRCUNAZBOBFV-NSHDSACASA-N 1 0 248.330 0.952 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831186705 587590539 /nfs/dbraw/zinc/59/05/39/587590539.db2.gz RJYRUCBLIODBGI-WDEREUQCSA-N 1 0 235.331 0.792 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCCCCCC[NH3+] ZINC000831273698 587594979 /nfs/dbraw/zinc/59/49/79/587594979.db2.gz APKCBLPODHHZIB-LLVKDONJSA-N 1 0 243.351 0.742 20 30 BCEDRO C#C[C@H](C)NC(=O)NCCCCCC[NH3+] ZINC000831287966 587595468 /nfs/dbraw/zinc/59/54/68/587595468.db2.gz QDVVTIQZQGWOOF-JTQLQIEISA-N 1 0 211.309 0.826 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCc1ccc(C[NH3+])cc1 ZINC000831297914 587596460 /nfs/dbraw/zinc/59/64/60/587596460.db2.gz AHCMNHNIQFDWTN-SNVBAGLBSA-N 1 0 231.299 0.966 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000831358670 587600817 /nfs/dbraw/zinc/60/08/17/587600817.db2.gz MGOWMMWAWRIAHY-RAIGVLPGSA-N 1 0 248.326 0.283 20 30 BCEDRO CCO[C@@H](CNC(=O)CCCC#N)C[NH+](C)C ZINC000831717514 587628941 /nfs/dbraw/zinc/62/89/41/587628941.db2.gz COGLJGPGOMSYFQ-NSHDSACASA-N 1 0 241.335 0.763 20 30 BCEDRO C#CCCCC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000831725335 587629264 /nfs/dbraw/zinc/62/92/64/587629264.db2.gz YVTASYSYQICUEI-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000831759945 587630126 /nfs/dbraw/zinc/63/01/26/587630126.db2.gz OJPIIYUSXFAJPK-IQJOONFLSA-N 1 0 225.267 0.496 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(OC)OC ZINC000831834077 587633890 /nfs/dbraw/zinc/63/38/90/587633890.db2.gz CIJXGROBTLFFHK-ZJUUUORDSA-N 1 0 215.293 0.929 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000832186718 587649096 /nfs/dbraw/zinc/64/90/96/587649096.db2.gz FSIXWCAXNZIVOZ-RYUDHWBXSA-N 1 0 240.347 0.870 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@@]2(CCOC2)C1 ZINC000832332319 587654424 /nfs/dbraw/zinc/65/44/24/587654424.db2.gz IFAOSKRXUUEUAX-CYBMUJFWSA-N 1 0 236.315 0.238 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000832697891 587678272 /nfs/dbraw/zinc/67/82/72/587678272.db2.gz JKQWVXHKTZYMOZ-GRYCIOLGSA-N 1 0 236.315 0.187 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CC(C2CC2)C1 ZINC000834374341 587753401 /nfs/dbraw/zinc/75/34/01/587753401.db2.gz QIWWDOPZCSSRGM-UHFFFAOYSA-N 1 0 206.289 0.468 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1CCSCC1 ZINC000834488663 587755862 /nfs/dbraw/zinc/75/58/62/587755862.db2.gz FTDQKVNLKKSCLW-VHSXEESVSA-N 1 0 239.344 0.357 20 30 BCEDRO CCCc1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)[nH]n1 ZINC000834479525 587756107 /nfs/dbraw/zinc/75/61/07/587756107.db2.gz FKSOEMWNMXRVDI-GZMMTYOYSA-N 1 0 247.302 0.204 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC12CCOCC2 ZINC000834480089 587756313 /nfs/dbraw/zinc/75/63/13/587756313.db2.gz KWSHNPABNHTRRG-VWYCJHECSA-N 1 0 249.314 0.031 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cncc(F)c1 ZINC000834480537 587756336 /nfs/dbraw/zinc/75/63/36/587756336.db2.gz RSMUSJRKXAUTPI-WCBMZHEXSA-N 1 0 234.234 0.062 20 30 BCEDRO Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1F ZINC000834480831 587756453 /nfs/dbraw/zinc/75/64/53/587756453.db2.gz WWKAEYHCMDDBLG-KOLCDFICSA-N 1 0 247.273 0.976 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834483837 587756464 /nfs/dbraw/zinc/75/64/64/587756464.db2.gz AGSVFQYZAHPOAG-NWDGAFQWSA-N 1 0 240.266 0.400 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C(C1CC1)C1CC1 ZINC000834480795 587756469 /nfs/dbraw/zinc/75/64/69/587756469.db2.gz WFTGLVQWPLASPM-MNOVXSKESA-N 1 0 233.315 0.650 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cncc(F)c1 ZINC000834480538 587756475 /nfs/dbraw/zinc/75/64/75/587756475.db2.gz RSMUSJRKXAUTPI-WPRPVWTQSA-N 1 0 234.234 0.062 20 30 BCEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)ccc1F ZINC000834485313 587756535 /nfs/dbraw/zinc/75/65/35/587756535.db2.gz VEMMNDNXJLDFLT-PWSUYJOCSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC12CC2 ZINC000834485248 587756577 /nfs/dbraw/zinc/75/65/77/587756577.db2.gz UCFJRBMUOSQJTC-IWSPIJDZSA-N 1 0 205.261 0.014 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccncc1F ZINC000834488436 587756583 /nfs/dbraw/zinc/75/65/83/587756583.db2.gz CJNAVNJKTKPRNU-XCBNKYQSSA-N 1 0 234.234 0.062 20 30 BCEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)C(C)(C)C ZINC000834488742 587756654 /nfs/dbraw/zinc/75/66/54/587756654.db2.gz GIJZMYQTAFVURO-UTLUCORTSA-N 1 0 223.320 0.896 20 30 BCEDRO C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1(F)F ZINC000834485651 587756677 /nfs/dbraw/zinc/75/66/77/587756677.db2.gz ZTWCGJPESZPXOU-LKEWCRSYSA-N 1 0 229.230 0.259 20 30 BCEDRO CCc1cccnc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834485017 587756749 /nfs/dbraw/zinc/75/67/49/587756749.db2.gz QXIIXJKFNQNCHG-MNOVXSKESA-N 1 0 244.298 0.485 20 30 BCEDRO CC(C)n1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000834488943 587756865 /nfs/dbraw/zinc/75/68/65/587756865.db2.gz HWOHOMLTPLYIQN-KOLCDFICSA-N 1 0 247.302 0.305 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(N)cc1 ZINC000834484718 587756871 /nfs/dbraw/zinc/75/68/71/587756871.db2.gz MDGNCQFXWOQYPF-KOLCDFICSA-N 1 0 230.271 0.110 20 30 BCEDRO CC(C)c1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)on1 ZINC000834489757 587756891 /nfs/dbraw/zinc/75/68/91/587756891.db2.gz PDGQBHUVRCIZLA-WPRPVWTQSA-N 1 0 248.286 0.639 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(C)n1 ZINC000834493893 587756904 /nfs/dbraw/zinc/75/69/04/587756904.db2.gz ILUYLLDUQQRGCA-CMPLNLGQSA-N 1 0 244.298 0.540 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cccc(N)c1 ZINC000834493818 587756943 /nfs/dbraw/zinc/75/69/43/587756943.db2.gz HSPLABXRCLMNEE-JQWIXIFHSA-N 1 0 244.298 0.039 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c(C)n1 ZINC000834493895 587757170 /nfs/dbraw/zinc/75/71/70/587757170.db2.gz ILUYLLDUQQRGCA-PWSUYJOCSA-N 1 0 244.298 0.540 20 30 BCEDRO Cc1nscc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834499433 587757321 /nfs/dbraw/zinc/75/73/21/587757321.db2.gz IKXCYEXMYGSEGE-IONNQARKSA-N 1 0 236.300 0.293 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccccc1N ZINC000834505860 587757696 /nfs/dbraw/zinc/75/76/96/587757696.db2.gz OSUFFFQOIGMRSG-PWSUYJOCSA-N 1 0 244.298 0.039 20 30 BCEDRO CC(C)OCCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834500661 587757914 /nfs/dbraw/zinc/75/79/14/587757914.db2.gz VRJXDXXQYYCTNX-WDEREUQCSA-N 1 0 239.319 0.419 20 30 BCEDRO CCc1noc(C)c1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834500593 587757923 /nfs/dbraw/zinc/75/79/23/587757923.db2.gz UZCARSWIKVGPLE-SCZZXKLOSA-N 1 0 248.286 0.387 20 30 BCEDRO CCc1noc(C)c1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834500595 587757978 /nfs/dbraw/zinc/75/79/78/587757978.db2.gz UZCARSWIKVGPLE-WPRPVWTQSA-N 1 0 248.286 0.387 20 30 BCEDRO CCCn1cc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834500130 587758052 /nfs/dbraw/zinc/75/80/52/587758052.db2.gz QLGMAIRDNADRPV-KOLCDFICSA-N 1 0 247.302 0.134 20 30 BCEDRO Cc1ccc(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834511148 587758138 /nfs/dbraw/zinc/75/81/38/587758138.db2.gz ISOUVPBMGCAYPY-OLZOCXBDSA-N 1 0 243.310 0.765 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccc(F)cc1 ZINC000834510335 587758234 /nfs/dbraw/zinc/75/82/34/587758234.db2.gz AHSDYRRUXCOREO-JQWIXIFHSA-N 1 0 247.273 0.596 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccccc1F ZINC000834512061 587758293 /nfs/dbraw/zinc/75/82/93/587758293.db2.gz RJPBGQAJWRTJFZ-CMPLNLGQSA-N 1 0 247.273 0.596 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)s1 ZINC000834506564 587758297 /nfs/dbraw/zinc/75/82/97/587758297.db2.gz UMTOOPCIYZVGBN-IUCAKERBSA-N 1 0 235.312 0.898 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(C2CC2)n[nH]1 ZINC000834515783 587758487 /nfs/dbraw/zinc/75/84/87/587758487.db2.gz BQTADDMMMCWOIF-KWQFWETISA-N 1 0 245.286 0.128 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cc(C2CC2)n[nH]1 ZINC000834515784 587758489 /nfs/dbraw/zinc/75/84/89/587758489.db2.gz BQTADDMMMCWOIF-LDYMZIIASA-N 1 0 245.286 0.128 20 30 BCEDRO Cc1cccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1O ZINC000834512544 587758660 /nfs/dbraw/zinc/75/86/60/587758660.db2.gz YMNLORPSNIHOQD-MWLCHTKSSA-N 1 0 245.282 0.542 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(Cl)o1 ZINC000834517713 587758687 /nfs/dbraw/zinc/75/86/87/587758687.db2.gz YMFOAKOMSPVLIX-RQJHMYQMSA-N 1 0 239.662 0.774 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CC[C@H]1CCCO1 ZINC000834515740 587758698 /nfs/dbraw/zinc/75/86/98/587758698.db2.gz BJCTTWCFQYNBCQ-MXWKQRLJSA-N 1 0 237.303 0.173 20 30 BCEDRO Cc1ccccc1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834512500 587758726 /nfs/dbraw/zinc/75/87/26/587758726.db2.gz XYWZKEWHAGKEDB-QWHCGFSZSA-N 1 0 243.310 0.765 20 30 BCEDRO C[C@H](CO)N[NH+]=C1CCc2cc(N)ccc21 ZINC000834964369 587773126 /nfs/dbraw/zinc/77/31/26/587773126.db2.gz LDGWQVWJBGEQOR-MRVPVSSYSA-N 1 0 219.288 0.890 20 30 BCEDRO C[C@H]1CNC(NN=C2C[C@@H](C)O[C@@H](C)C2)=[NH+]1 ZINC000834970635 587774439 /nfs/dbraw/zinc/77/44/39/587774439.db2.gz NWYNOOPLOPLGLH-XHNCKOQMSA-N 1 0 224.308 0.867 20 30 BCEDRO C#CCNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000836700037 587835977 /nfs/dbraw/zinc/83/59/77/587835977.db2.gz LWLZHWRAQQILJW-UHFFFAOYSA-N 1 0 235.291 0.199 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](OC)[C@@H](C)C1 ZINC000836837936 587839302 /nfs/dbraw/zinc/83/93/02/587839302.db2.gz NOGUSITVITUWOA-CMPLNLGQSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000837083405 587852594 /nfs/dbraw/zinc/85/25/94/587852594.db2.gz XVSUDYGWOOXPFB-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C(=C)C[NH+](C)C ZINC000837083039 587852810 /nfs/dbraw/zinc/85/28/10/587852810.db2.gz VDXMKQGPKVTMCI-NSHDSACASA-N 1 0 226.320 0.548 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COC[C@H]1OCC ZINC000837093354 587852890 /nfs/dbraw/zinc/85/28/90/587852890.db2.gz ZMAPZQFJARULRE-GHMZBOCLSA-N 1 0 242.319 0.024 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](C)O1 ZINC000837282928 587863698 /nfs/dbraw/zinc/86/36/98/587863698.db2.gz NPUBGXRVPXDRTD-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO O=C(C#CC1CC1)N1CC[NH+]2CCC1CC2 ZINC000837570994 587883016 /nfs/dbraw/zinc/88/30/16/587883016.db2.gz LGGPMFQGVPCRPJ-UHFFFAOYSA-N 1 0 218.300 0.706 20 30 BCEDRO C#CC[C@@H](NC(=O)C[N@H+](C)C(C)C)C(=O)OC ZINC000837940868 587904819 /nfs/dbraw/zinc/90/48/19/587904819.db2.gz XUTFLGOZTNRNSB-SNVBAGLBSA-N 1 0 240.303 0.008 20 30 BCEDRO C#CC[C@H](NC(=O)C[N@@H+](C)CCC)C(=O)OC ZINC000837941702 587904827 /nfs/dbraw/zinc/90/48/27/587904827.db2.gz USMPUPAJJVUQQM-JTQLQIEISA-N 1 0 240.303 0.009 20 30 BCEDRO C#CCNC(=S)N1CC[NH+]([C@H](C)CC)CC1 ZINC000840815379 587923143 /nfs/dbraw/zinc/92/31/43/587923143.db2.gz KDQWOGWTZQDGTD-LLVKDONJSA-N 1 0 239.388 0.910 20 30 BCEDRO C#CCNC(=S)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000840833706 587924046 /nfs/dbraw/zinc/92/40/46/587924046.db2.gz UAKGQDPKXYXXQN-LLVKDONJSA-N 1 0 239.388 0.909 20 30 BCEDRO C#CCNC(=S)NCC[N@H+]1CCCC1(C)C ZINC000840832323 587924274 /nfs/dbraw/zinc/92/42/74/587924274.db2.gz WRRFTINLNKODFF-UHFFFAOYSA-N 1 0 239.388 0.958 20 30 BCEDRO C=CCN(CCC[NH3+])CC(=O)OCC ZINC000841007828 587934920 /nfs/dbraw/zinc/93/49/20/587934920.db2.gz RRCOJBZYASQXAR-UHFFFAOYSA-N 1 0 200.282 0.386 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CCCCOC ZINC000841466259 587956113 /nfs/dbraw/zinc/95/61/13/587956113.db2.gz VHQWSNIYGRWYJC-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO Clc1ccc(C=NNC2=[NH+]CCN2)o1 ZINC000841658526 587969039 /nfs/dbraw/zinc/96/90/39/587969039.db2.gz AGAJAVQPXWLDAP-UHFFFAOYSA-N 1 0 212.640 0.816 20 30 BCEDRO CCC(=NNC1=[NH+]CCN1)c1ccc(F)cn1 ZINC000841660504 587969313 /nfs/dbraw/zinc/96/93/13/587969313.db2.gz QDNQLGIOLBFJOO-UHFFFAOYSA-N 1 0 235.266 0.884 20 30 BCEDRO FC(F)(F)c1ccc(C=NNC2=[NH+]CCN2)[nH]1 ZINC000841659301 587969602 /nfs/dbraw/zinc/96/96/02/587969602.db2.gz IYUDORKYKSUWJM-UHFFFAOYSA-N 1 0 245.208 0.916 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc(N)cc1C ZINC000841659764 587969678 /nfs/dbraw/zinc/96/96/78/587969678.db2.gz DDGQQTNJNSWBGJ-UHFFFAOYSA-N 1 0 231.303 0.850 20 30 BCEDRO Oc1ccc2c(c1)CCC2=NNC1=[NH+]CCN1 ZINC000841660894 587970008 /nfs/dbraw/zinc/97/00/08/587970008.db2.gz KHQXAJIQHBIDCX-UHFFFAOYSA-N 1 0 230.271 0.591 20 30 BCEDRO COc1ccccc1C=NNC1=[NH+]CCN1 ZINC000841662839 587970832 /nfs/dbraw/zinc/97/08/32/587970832.db2.gz SEUKORFXSCRGLC-UHFFFAOYSA-N 1 0 218.260 0.578 20 30 BCEDRO C=C(Br)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000841746067 587973496 /nfs/dbraw/zinc/97/34/96/587973496.db2.gz VDYQDNRRDNHUHR-SSDOTTSWSA-N 1 0 248.124 0.556 20 30 BCEDRO C=C(Br)CNC(=O)N[C@H](C)C[NH3+] ZINC000841745324 587973737 /nfs/dbraw/zinc/97/37/37/587973737.db2.gz XPEIGRVNCBZZJV-ZCFIWIBFSA-N 1 0 236.113 0.541 20 30 BCEDRO C#CCSCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000841833029 587976921 /nfs/dbraw/zinc/97/69/21/587976921.db2.gz YGTCFPFVZNDYOH-SNVBAGLBSA-N 1 0 241.360 0.404 20 30 BCEDRO C#CCCCCNC(=O)NC[C@@H]([NH3+])CC ZINC000841861148 587978893 /nfs/dbraw/zinc/97/88/93/587978893.db2.gz UBAOYUHCLXJHLT-JTQLQIEISA-N 1 0 211.309 0.826 20 30 BCEDRO C#CCCCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841860834 587979036 /nfs/dbraw/zinc/97/90/36/587979036.db2.gz PXZLNNNXNDCNBI-LLVKDONJSA-N 1 0 223.320 0.841 20 30 BCEDRO C#CCCCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000841860528 587979067 /nfs/dbraw/zinc/97/90/67/587979067.db2.gz NZDHSQQIBOLWLH-SNVBAGLBSA-N 1 0 211.309 0.779 20 30 BCEDRO C#CCCCNC(=O)N1CC[NH2+][C@@H](C)[C@H]1C ZINC000841884712 587979419 /nfs/dbraw/zinc/97/94/19/587979419.db2.gz FKMRLTDZDQSSMN-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCOCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000841874353 587979883 /nfs/dbraw/zinc/97/98/83/587979883.db2.gz GSHAAQPQUPSJGW-NSHDSACASA-N 1 0 239.319 0.159 20 30 BCEDRO C#CCOCCNC(=O)N(C)CC(C)(C)C[NH3+] ZINC000841875701 587980042 /nfs/dbraw/zinc/98/00/42/587980042.db2.gz PRAFAPQADZDTFP-UHFFFAOYSA-N 1 0 241.335 0.263 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)CC[NH2+]C)[C@H]1CCCO1 ZINC000841882086 587980245 /nfs/dbraw/zinc/98/02/45/587980245.db2.gz WCXPJNLCFUVHBN-GHMZBOCLSA-N 1 0 239.319 0.028 20 30 BCEDRO C#CCCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000841886246 587981216 /nfs/dbraw/zinc/98/12/16/587981216.db2.gz LVRJJRNIBIGZJE-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C=CCONC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000841913204 587984667 /nfs/dbraw/zinc/98/46/67/587984667.db2.gz KXWSPQKRZIWZOR-BDAKNGLRSA-N 1 0 213.281 0.496 20 30 BCEDRO C#Cc1cccc(CNC(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000841913549 587984681 /nfs/dbraw/zinc/98/46/81/587984681.db2.gz QJDKBXMYRFWOPR-ZDUSSCGKSA-N 1 0 243.310 0.829 20 30 BCEDRO C=CCONC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000841913492 587984767 /nfs/dbraw/zinc/98/47/67/587984767.db2.gz OEUNIUWVFAZXBR-GFCCVEGCSA-N 1 0 239.319 0.889 20 30 BCEDRO C=CCONC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000841913207 587984796 /nfs/dbraw/zinc/98/47/96/587984796.db2.gz KXWSPQKRZIWZOR-IUCAKERBSA-N 1 0 213.281 0.496 20 30 BCEDRO C=CCONC(=O)N[C@H](C)CCCC[NH3+] ZINC000841913558 587984870 /nfs/dbraw/zinc/98/48/70/587984870.db2.gz QPHXKQJGQOWOIZ-SECBINFHSA-N 1 0 215.297 0.921 20 30 BCEDRO C=CCONC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000841913808 587984877 /nfs/dbraw/zinc/98/48/77/587984877.db2.gz UKBLYGCHTWQGBR-SECBINFHSA-N 1 0 215.297 0.777 20 30 BCEDRO C#Cc1cccc(CNC(=O)N2CC[NH2+]CC2)c1 ZINC000841913654 587984934 /nfs/dbraw/zinc/98/49/34/587984934.db2.gz SITIWJNSRJUYSU-UHFFFAOYSA-N 1 0 243.310 0.783 20 30 BCEDRO C=CCONC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000841913473 587984995 /nfs/dbraw/zinc/98/49/95/587984995.db2.gz NRIHRICJBXDFJG-SECBINFHSA-N 1 0 213.281 0.497 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841913273 587985040 /nfs/dbraw/zinc/98/50/40/587985040.db2.gz LRNDRWUTYWQFPH-RKDXNWHRSA-N 1 0 213.281 0.673 20 30 BCEDRO C=CCONC(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000841914080 587985054 /nfs/dbraw/zinc/98/50/54/587985054.db2.gz YQYGWVXFPZGGKN-JTQLQIEISA-N 1 0 227.308 0.888 20 30 BCEDRO C#CCN(C(=O)NC[C@@H]1CCCC[NH2+]1)C1CC1 ZINC000841921519 587985215 /nfs/dbraw/zinc/98/52/15/587985215.db2.gz KWCNLXOOWPSSFR-NSHDSACASA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841921014 587985245 /nfs/dbraw/zinc/98/52/45/587985245.db2.gz IQHZTSOICCNUTJ-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC1([NH3+])CCCCC1 ZINC000841922184 587985256 /nfs/dbraw/zinc/98/52/56/587985256.db2.gz COXIPVKGMVZUKI-JTQLQIEISA-N 1 0 223.320 0.969 20 30 BCEDRO C#CCOCCNC(=O)NCCC[NH2+]C(C)C ZINC000841931416 587985764 /nfs/dbraw/zinc/98/57/64/587985764.db2.gz BTZALUSPIDCCSF-UHFFFAOYSA-N 1 0 241.335 0.324 20 30 BCEDRO C#CCN(C)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000841934076 587985857 /nfs/dbraw/zinc/98/58/57/587985857.db2.gz VAINXQZSGXEDMS-UHFFFAOYSA-N 1 0 245.326 0.962 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCC[NH2+]C1CC1 ZINC000841929740 587986012 /nfs/dbraw/zinc/98/60/12/587986012.db2.gz KZJQFVFXKXHLLU-JTQLQIEISA-N 1 0 223.320 0.840 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC([NH3+])(CC)CC ZINC000841954405 587986627 /nfs/dbraw/zinc/98/66/27/587986627.db2.gz LQNFEKIRJWBUJO-VIFPVBQESA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000841955029 587986684 /nfs/dbraw/zinc/98/66/84/587986684.db2.gz YDODTJOBIDCQCK-VHSXEESVSA-N 1 0 211.309 0.681 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCC1C[NH2+]C1 ZINC000841964728 587987089 /nfs/dbraw/zinc/98/70/89/587987089.db2.gz MVCSDZWFXWAIMT-SNVBAGLBSA-N 1 0 209.293 0.307 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CCC[NH2+]CC1)C1CC1 ZINC000841976583 587987494 /nfs/dbraw/zinc/98/74/94/587987494.db2.gz CWTFDXQKFGJDPN-NSHDSACASA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000841978306 587987764 /nfs/dbraw/zinc/98/77/64/587987764.db2.gz MRFWTOYJZMYGOQ-CYBMUJFWSA-N 1 0 247.342 0.797 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC/C=C\C[NH3+] ZINC000841993488 587988030 /nfs/dbraw/zinc/98/80/30/587988030.db2.gz AUVCJCBABXJVJB-SREVYHEPSA-N 1 0 219.288 0.169 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842003098 587988398 /nfs/dbraw/zinc/98/83/98/587988398.db2.gz IAZGGCCKAKIFQM-MRVPVSSYSA-N 1 0 231.246 0.306 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000842005659 587988703 /nfs/dbraw/zinc/98/87/03/587988703.db2.gz OMUONAZELOBZAU-NKWVEPMBSA-N 1 0 205.689 0.774 20 30 BCEDRO C#CC[C@H]1CCC[N@H+](Cn2cnnc2)C1 ZINC000842629616 588046853 /nfs/dbraw/zinc/04/68/53/588046853.db2.gz PYLKHKOUOPUCTE-NSHDSACASA-N 1 0 204.277 0.971 20 30 BCEDRO C#CC1CC[NH+](CN2CCOC2=S)CC1 ZINC000842634297 588047886 /nfs/dbraw/zinc/04/78/86/588047886.db2.gz SLHQTSSXMPJHKZ-UHFFFAOYSA-N 1 0 224.329 0.906 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)CCc1ccccc1 ZINC000843075862 588079631 /nfs/dbraw/zinc/07/96/31/588079631.db2.gz BCGYYQVUDVZFOC-GJZGRUSLSA-N 1 0 247.338 0.954 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CCOC(C)C ZINC000843077071 588079874 /nfs/dbraw/zinc/07/98/74/588079874.db2.gz LHDOLZGZYSQDMW-NEPJUHHUSA-N 1 0 229.320 0.136 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](C#N)CCC#N ZINC000843102075 588080949 /nfs/dbraw/zinc/08/09/49/588080949.db2.gz SUOWYUUDGUNIDZ-NEPJUHHUSA-N 1 0 219.288 0.794 20 30 BCEDRO C#C[C@](C)(CC)NS(=O)(=O)CCC[NH+](C)C ZINC000867321949 588093301 /nfs/dbraw/zinc/09/33/01/588093301.db2.gz BHFWIQYNURWTNR-LLVKDONJSA-N 1 0 246.376 0.659 20 30 BCEDRO C=CCCc1noc(C[C@H]2C[NH2+]CCO2)n1 ZINC000843237944 588095165 /nfs/dbraw/zinc/09/51/65/588095165.db2.gz IRNDRHUEMQWKAS-VIFPVBQESA-N 1 0 223.276 0.719 20 30 BCEDRO C#CC1CC[NH+]([C@H]2CC(=O)N(C)C2=O)CC1 ZINC000843270494 588096806 /nfs/dbraw/zinc/09/68/06/588096806.db2.gz VVHWEOJWWGLVEY-JTQLQIEISA-N 1 0 220.272 0.089 20 30 BCEDRO CON=Cc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000843289119 588097866 /nfs/dbraw/zinc/09/78/66/588097866.db2.gz KXGRKRFLXUMLKC-UHFFFAOYSA-N 1 0 247.298 0.712 20 30 BCEDRO COCC1(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000843460310 588112492 /nfs/dbraw/zinc/11/24/92/588112492.db2.gz NORIRDLEZBMREO-VHSXEESVSA-N 1 0 237.303 0.031 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C/c1cccs1 ZINC000843463784 588112889 /nfs/dbraw/zinc/11/28/89/588112889.db2.gz XWEUCMSGXQZRQP-ZVECUQNESA-N 1 0 247.323 0.989 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843877329 588147408 /nfs/dbraw/zinc/14/74/08/588147408.db2.gz CXXXWSZNSXXOFL-IJLUTSLNSA-N 1 0 238.331 0.217 20 30 BCEDRO CC#CC(=O)N(CCC)[C@H]1CC[N@H+](C)C1 ZINC000843986478 588153179 /nfs/dbraw/zinc/15/31/79/588153179.db2.gz AVOBLNUCQPTEQE-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C=CCCCC(=O)N1CC(N2CC[C@@H](O)C2)C1 ZINC000843997594 588154027 /nfs/dbraw/zinc/15/40/27/588154027.db2.gz STPZBFFSDWCWKF-GFCCVEGCSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CO[C@@H](C)C1 ZINC000844098429 588167354 /nfs/dbraw/zinc/16/73/54/588167354.db2.gz BJRVPMYRUKBJNH-VHSXEESVSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CCNC(=O)NCc1ccc(C[NH3+])cc1F ZINC000844270835 588178439 /nfs/dbraw/zinc/17/84/39/588178439.db2.gz FIDLXHAGEMLSAH-UHFFFAOYSA-N 1 0 235.262 0.717 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@H]1CCCO1 ZINC000844321685 588184276 /nfs/dbraw/zinc/18/42/76/588184276.db2.gz GZDCYFFJKXPBHU-HBNTYKKESA-N 1 0 222.288 0.035 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844323204 588184903 /nfs/dbraw/zinc/18/49/03/588184903.db2.gz DWLQUZQOTXRHNE-MWLCHTKSSA-N 1 0 222.288 0.923 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CN(C2CC2)C(=O)O1 ZINC000844323200 588185021 /nfs/dbraw/zinc/18/50/21/588185021.db2.gz DWLQUZQOTXRHNE-GXSJLCMTSA-N 1 0 222.288 0.923 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@H]1CCC[N@H+]1C ZINC000844335054 588185556 /nfs/dbraw/zinc/18/55/56/588185556.db2.gz ITQDBTUEUHYWDM-VXGBXAGGSA-N 1 0 208.305 0.415 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CO)[C@@H](C)CCC ZINC000844381007 588186964 /nfs/dbraw/zinc/18/69/64/588186964.db2.gz ZRHVAPNTBYQHAC-QWRGUYRKSA-N 1 0 226.320 0.123 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@]2(CC2(F)F)C1 ZINC000844467446 588197809 /nfs/dbraw/zinc/19/78/09/588197809.db2.gz KXBRHUKEJWNQJE-JTQLQIEISA-N 1 0 228.242 0.467 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCc1ccccc1F ZINC000105861646 588226971 /nfs/dbraw/zinc/22/69/71/588226971.db2.gz CFKYXLHTWBGKLK-UHFFFAOYSA-N 1 0 234.274 0.707 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCOc1ccccc1 ZINC000105861395 588226976 /nfs/dbraw/zinc/22/69/76/588226976.db2.gz PNICEZSWVAYLMW-UHFFFAOYSA-N 1 0 232.283 0.404 20 30 BCEDRO C=C[C@H](C)ONC(=O)NCC[NH+]1CCC1 ZINC000845628138 588238079 /nfs/dbraw/zinc/23/80/79/588238079.db2.gz LSXJYBZZWNOKLO-VIFPVBQESA-N 1 0 213.281 0.497 20 30 BCEDRO C=C[C@H](C)ONC(=O)N(C)CC[NH+](C)C ZINC000845636087 588238996 /nfs/dbraw/zinc/23/89/96/588238996.db2.gz STJWSQPOVMMHMF-VIFPVBQESA-N 1 0 215.297 0.696 20 30 BCEDRO C=C[C@@H](C)ONC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000845639462 588239407 /nfs/dbraw/zinc/23/94/07/588239407.db2.gz PXDAKZKPLFYYCT-NXEZZACHSA-N 1 0 227.308 0.886 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000845642171 588239647 /nfs/dbraw/zinc/23/96/47/588239647.db2.gz OEOKTOMMUCDFRQ-NXEZZACHSA-N 1 0 227.308 0.886 20 30 BCEDRO C=CCONC(=O)N1CCC(CC[NH3+])CC1 ZINC000846173267 588259166 /nfs/dbraw/zinc/25/91/66/588259166.db2.gz QDZZPNNIVNEQSU-UHFFFAOYSA-N 1 0 227.308 0.874 20 30 BCEDRO C#CCCNC(=O)NCCC1CC[NH2+]CC1 ZINC000846216215 588260337 /nfs/dbraw/zinc/26/03/37/588260337.db2.gz RLKWPGCRZIMIAX-UHFFFAOYSA-N 1 0 223.320 0.699 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)/C=C(/C)COC ZINC000846227781 588261869 /nfs/dbraw/zinc/26/18/69/588261869.db2.gz IDRUGESVRDWFNK-BENRWUELSA-N 1 0 238.331 0.650 20 30 BCEDRO C=C(CO)C(=O)NCCC[N@@H+](C)CC(C)C ZINC000846291476 588263968 /nfs/dbraw/zinc/26/39/68/588263968.db2.gz OGCBXECKUSABKM-UHFFFAOYSA-N 1 0 228.336 0.629 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ncn(C(C)C)n1 ZINC000846349301 588264887 /nfs/dbraw/zinc/26/48/87/588264887.db2.gz RSMLTQQCXDQCGF-UHFFFAOYSA-N 1 0 237.307 0.915 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1(CC(=O)OC)CC1 ZINC000846393021 588265316 /nfs/dbraw/zinc/26/53/16/588265316.db2.gz MSVMAPSKMANAOP-UHFFFAOYSA-N 1 0 240.303 0.316 20 30 BCEDRO C[NH+](C)CCn1cc(NC(=O)C#CC2CC2)cn1 ZINC000846558592 588277480 /nfs/dbraw/zinc/27/74/80/588277480.db2.gz OYBAHXFLHDVNBZ-UHFFFAOYSA-N 1 0 246.314 0.797 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(C#N)CCCC1 ZINC000846677810 588282174 /nfs/dbraw/zinc/28/21/74/588282174.db2.gz OTZISLBYTYLYAL-NXEZZACHSA-N 1 0 232.287 0.298 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1O ZINC000846678102 588282262 /nfs/dbraw/zinc/28/22/62/588282262.db2.gz QWULOCGOSDKXEM-WDEREUQCSA-N 1 0 245.282 0.542 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@H]2CC(=O)NC2=O)C1 ZINC000846702517 588283640 /nfs/dbraw/zinc/28/36/40/588283640.db2.gz IGQIGOZKNHEFGL-ZJUUUORDSA-N 1 0 220.272 0.137 20 30 BCEDRO C#CCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000846758750 588286255 /nfs/dbraw/zinc/28/62/55/588286255.db2.gz FMFQNPZJCUDSIX-AOOOYVTPSA-N 1 0 209.293 0.259 20 30 BCEDRO C#C[C@H]([NH2+]CCCC(=O)NC)[C@H]1CCCO1 ZINC000846861136 588293615 /nfs/dbraw/zinc/29/36/15/588293615.db2.gz OLCTYIZQZWOGNE-WDEREUQCSA-N 1 0 224.304 0.283 20 30 BCEDRO C#C[C@@H]([NH2+]CCCC(=O)NC)[C@@H]1CCCO1 ZINC000846861134 588294021 /nfs/dbraw/zinc/29/40/21/588294021.db2.gz OLCTYIZQZWOGNE-MNOVXSKESA-N 1 0 224.304 0.283 20 30 BCEDRO CC#CC(=O)N1CCC[N@@H+](C)C[C@H]1CC ZINC000846989395 588300660 /nfs/dbraw/zinc/30/06/60/588300660.db2.gz RUQJPKGYQZHBDC-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CC1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000847011684 588301662 /nfs/dbraw/zinc/30/16/62/588301662.db2.gz QOEXWMCOORWLNL-LBPRGKRZSA-N 1 0 220.316 0.858 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000847019372 588302141 /nfs/dbraw/zinc/30/21/41/588302141.db2.gz PJXUZLPURAHROS-VXGBXAGGSA-N 1 0 241.356 0.766 20 30 BCEDRO C#C[C@H]1CCC[N@H+](C[C@H]2COCCO2)C1 ZINC000847018756 588302195 /nfs/dbraw/zinc/30/21/95/588302195.db2.gz MMLFSEIFKMUPPG-RYUDHWBXSA-N 1 0 209.289 0.747 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000847022504 588303382 /nfs/dbraw/zinc/30/33/82/588303382.db2.gz HXFCVKSFNNOOLN-LLVKDONJSA-N 1 0 249.314 0.274 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000847026401 588304073 /nfs/dbraw/zinc/30/40/73/588304073.db2.gz YNYVAHNWILAAOX-NSHDSACASA-N 1 0 206.289 0.564 20 30 BCEDRO C=CCONC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847381595 588311873 /nfs/dbraw/zinc/31/18/73/588311873.db2.gz BABAVLLSJQCLHG-AOOOYVTPSA-N 1 0 227.308 0.743 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847412454 588312655 /nfs/dbraw/zinc/31/26/55/588312655.db2.gz QYUGPFVWZLYTAZ-GARJFASQSA-N 1 0 223.320 0.648 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847411900 588312866 /nfs/dbraw/zinc/31/28/66/588312866.db2.gz PLECCKVGZQPKHD-UTUOFQBUSA-N 1 0 237.347 0.990 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NC2=NO[C@H](C)C2)C1 ZINC000847623733 588319190 /nfs/dbraw/zinc/31/91/90/588319190.db2.gz DPUQDXBWZSFHKZ-RKDXNWHRSA-N 1 0 225.292 0.567 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)NC2=NO[C@@H](C)C2)C1 ZINC000847623732 588319363 /nfs/dbraw/zinc/31/93/63/588319363.db2.gz DPUQDXBWZSFHKZ-IUCAKERBSA-N 1 0 225.292 0.567 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NC2=NO[C@@H](C)C2)C1 ZINC000847623674 588319430 /nfs/dbraw/zinc/31/94/30/588319430.db2.gz DPUQDXBWZSFHKZ-BDAKNGLRSA-N 1 0 225.292 0.567 20 30 BCEDRO C#C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000847760084 588329598 /nfs/dbraw/zinc/32/95/98/588329598.db2.gz DUJCZCUVKFODRG-SNVBAGLBSA-N 1 0 234.303 0.196 20 30 BCEDRO C#CCOCCC(=O)OCC[C@@H]1CC[N@@H+](C)C1 ZINC000847822541 588333873 /nfs/dbraw/zinc/33/38/73/588333873.db2.gz DGODRHRYEWYDJR-LBPRGKRZSA-N 1 0 239.315 0.911 20 30 BCEDRO CON=CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848352097 588372984 /nfs/dbraw/zinc/37/29/84/588372984.db2.gz LIGUMOUCLOCADU-GHMZBOCLSA-N 1 0 239.319 0.752 20 30 BCEDRO NC(=O)CON=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848407954 588378866 /nfs/dbraw/zinc/37/88/66/588378866.db2.gz VVBQDBIKQPXEGJ-SNVBAGLBSA-N 1 0 225.292 0.493 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](CO)Cc1ccco1 ZINC000848984358 588424908 /nfs/dbraw/zinc/42/49/08/588424908.db2.gz PGGDCPLVVFTMDH-SNVBAGLBSA-N 1 0 237.303 0.731 20 30 BCEDRO CN(C)C(=[NH+]C[C@H](O)c1ccco1)N(C)C ZINC000848989647 588426756 /nfs/dbraw/zinc/42/67/56/588426756.db2.gz NMGMVRLDMPBQJL-VIFPVBQESA-N 1 0 225.292 0.792 20 30 BCEDRO CNC(NC[C@@H](O)C1CCCCC1)=[NH+]C ZINC000848993655 588428213 /nfs/dbraw/zinc/42/82/13/588428213.db2.gz APWDSOUZJUOYJP-SNVBAGLBSA-N 1 0 213.325 0.722 20 30 BCEDRO C[NH+]=C(NCc1cc[nH]n1)NCc1ccco1 ZINC000848994726 588428817 /nfs/dbraw/zinc/42/88/17/588428817.db2.gz ZEENBOXBHHIEOI-UHFFFAOYSA-N 1 0 233.275 0.868 20 30 BCEDRO N#CCCCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000849003160 588431353 /nfs/dbraw/zinc/43/13/53/588431353.db2.gz PFCVFZWTSRYTAH-SNVBAGLBSA-N 1 0 224.308 0.973 20 30 BCEDRO CCOCCCNC(=[NH2+])NC[C@H](C)C#N ZINC000849003773 588431637 /nfs/dbraw/zinc/43/16/37/588431637.db2.gz FNQJEDDCFVLBPE-SECBINFHSA-N 1 0 212.297 0.687 20 30 BCEDRO C[C@H](C#N)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849003934 588431860 /nfs/dbraw/zinc/43/18/60/588431860.db2.gz OTBSUUHZRVOSRI-BDAKNGLRSA-N 1 0 210.281 0.391 20 30 BCEDRO COc1cc(CCNC2=[NH+]C[C@H](C)N2)ccc1O ZINC000849005628 588432123 /nfs/dbraw/zinc/43/21/23/588432123.db2.gz LQUCMASHTZBTPK-VIFPVBQESA-N 1 0 249.314 0.881 20 30 BCEDRO C=CCNC(=[NH2+])NCCOc1cccnc1 ZINC000849005870 588432501 /nfs/dbraw/zinc/43/25/01/588432501.db2.gz ZDPZBVFSSBAPNG-UHFFFAOYSA-N 1 0 220.276 0.760 20 30 BCEDRO CCC1(C[NH+]=C(N(C)C)N(C)C)COC1 ZINC000849038573 588433236 /nfs/dbraw/zinc/43/32/36/588433236.db2.gz SGOSNWPDLKSXHT-UHFFFAOYSA-N 1 0 213.325 0.892 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](OC)C(F)(F)F ZINC000849008311 588433654 /nfs/dbraw/zinc/43/36/54/588433654.db2.gz FIYZISXWQZMZBI-LURJTMIESA-N 1 0 225.214 0.864 20 30 BCEDRO C[NH+]=C(NCc1cc(C)n[nH]1)NC1CC1 ZINC000849007602 588433666 /nfs/dbraw/zinc/43/36/66/588433666.db2.gz ZOSAGITXCWZVLT-UHFFFAOYSA-N 1 0 207.281 0.546 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC[S@](=O)C(C)(C)C)N1 ZINC000849008381 588433889 /nfs/dbraw/zinc/43/38/89/588433889.db2.gz DCURIYXQUMKIFG-GLEZIHRCSA-N 1 0 231.365 0.471 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1nnnn1C1CC1 ZINC000849011043 588435211 /nfs/dbraw/zinc/43/52/11/588435211.db2.gz YRNQBAJSEUQLMN-UHFFFAOYSA-N 1 0 235.295 0.198 20 30 BCEDRO N#Cc1c(N)n[nH]c1CCCNC(=[NH2+])N1CCC1 ZINC000849011615 588435699 /nfs/dbraw/zinc/43/56/99/588435699.db2.gz OEWWRPWHYHRCFZ-UHFFFAOYSA-N 1 0 247.306 0.026 20 30 BCEDRO CN1CC[NH+]=C1NCCCO[C@@H]1CCOC1 ZINC000849012649 588435714 /nfs/dbraw/zinc/43/57/14/588435714.db2.gz JLRWECRQTCLYJG-SNVBAGLBSA-N 1 0 227.308 0.073 20 30 BCEDRO CC(C)C(=O)NCCCNC1=[NH+]CCN1C ZINC000849015127 588436864 /nfs/dbraw/zinc/43/68/64/588436864.db2.gz SWKXECBJCRSMBS-UHFFFAOYSA-N 1 0 226.324 0.040 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])NCCCOCC ZINC000849016044 588437003 /nfs/dbraw/zinc/43/70/03/588437003.db2.gz WVFQESVNXBEOIF-LLVKDONJSA-N 1 0 243.351 0.712 20 30 BCEDRO CN(C)C(=[NH+][C@H]1C[C@@H](O)C1(C)C)N(C)C ZINC000849020373 588438492 /nfs/dbraw/zinc/43/84/92/588438492.db2.gz BLKPDSQJVUODNH-DTWKUNHWSA-N 1 0 213.325 0.625 20 30 BCEDRO CCNC(=O)C1(CNC(NC)=[NH+]C)CCC1 ZINC000849022278 588439203 /nfs/dbraw/zinc/43/92/03/588439203.db2.gz NVLQQKMTYSTCET-UHFFFAOYSA-N 1 0 226.324 0.088 20 30 BCEDRO C=CCNC(=[NH2+])NCC1(C(=O)NCC)CCC1 ZINC000849022351 588439483 /nfs/dbraw/zinc/43/94/83/588439483.db2.gz SUKRURJHNNFKHI-UHFFFAOYSA-N 1 0 238.335 0.593 20 30 BCEDRO C[NH+]=C(NC[C@@H](CO)c1cccnc1)NC1CC1 ZINC000849028962 588441800 /nfs/dbraw/zinc/44/18/00/588441800.db2.gz RLIKYBAWBSCCST-NSHDSACASA-N 1 0 248.330 0.485 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nnc(CC)s1 ZINC000849029748 588442460 /nfs/dbraw/zinc/44/24/60/588442460.db2.gz LCNMRIRJVKHJJX-UHFFFAOYSA-N 1 0 225.321 0.900 20 30 BCEDRO CNC(NC[C@@]1(O)CCCC1(C)C)=[NH+]C ZINC000849031603 588442986 /nfs/dbraw/zinc/44/29/86/588442986.db2.gz VNTNMDUPTQPXBS-NSHDSACASA-N 1 0 213.325 0.722 20 30 BCEDRO C[NH+]=C(NCC[C@H](C)CCO)NC1CC1 ZINC000849031846 588443265 /nfs/dbraw/zinc/44/32/65/588443265.db2.gz HAGNKWVPLNWGDZ-VIFPVBQESA-N 1 0 213.325 0.722 20 30 BCEDRO CCc1nnc(CNC(NC2CC2)=[NH+]C)[nH]1 ZINC000849032281 588443489 /nfs/dbraw/zinc/44/34/89/588443489.db2.gz JZOFTURRGRUQCH-UHFFFAOYSA-N 1 0 222.296 0.195 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@]1(O)CCC[C@@H]1C ZINC000849033394 588443994 /nfs/dbraw/zinc/44/39/94/588443994.db2.gz ZNWKFTYSEXPGTC-GXSJLCMTSA-N 1 0 211.309 0.837 20 30 BCEDRO CNC(NCCc1cnc(C)cn1)=[NH+]C ZINC000849038958 588446646 /nfs/dbraw/zinc/44/66/46/588446646.db2.gz ASFBGHYKMOZNIA-UHFFFAOYSA-N 1 0 207.281 0.122 20 30 BCEDRO C[NH+]=C(NCc1cnc(C)o1)NC1CC1 ZINC000849040167 588447167 /nfs/dbraw/zinc/44/71/67/588447167.db2.gz BWFXYVJULHXOOU-UHFFFAOYSA-N 1 0 208.265 0.810 20 30 BCEDRO CN1CC[NH+]=C1NCCC(C)(C)S(C)(=O)=O ZINC000849042762 588448725 /nfs/dbraw/zinc/44/87/25/588448725.db2.gz ZYZLVTNVNLZOHE-UHFFFAOYSA-N 1 0 247.364 0.091 20 30 BCEDRO C=CCNC(=[NH2+])NCCCC1(O)CCC1 ZINC000849043394 588448726 /nfs/dbraw/zinc/44/87/26/588448726.db2.gz BIZVVWVIQMMIRS-UHFFFAOYSA-N 1 0 211.309 0.982 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(CC#N)cc1 ZINC000849045410 588449607 /nfs/dbraw/zinc/44/96/07/588449607.db2.gz YLVDFOAFFPDJCH-UHFFFAOYSA-N 1 0 202.261 0.996 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCN1CCCC1=O ZINC000849047004 588450213 /nfs/dbraw/zinc/45/02/13/588450213.db2.gz HEXFNHIHHPXKHQ-UHFFFAOYSA-N 1 0 224.308 0.299 20 30 BCEDRO CN1CC[NH+]=C1NCC1(C#N)CCCC1 ZINC000849047063 588450271 /nfs/dbraw/zinc/45/02/71/588450271.db2.gz ONWZCDRMVYZLLE-UHFFFAOYSA-N 1 0 206.293 0.961 20 30 BCEDRO C=CCNC(=[NH2+])NCCC1(CO)CCC1 ZINC000849048800 588451081 /nfs/dbraw/zinc/45/10/81/588451081.db2.gz LPEFOBMUQWMCGL-UHFFFAOYSA-N 1 0 211.309 0.839 20 30 BCEDRO CCN1C[C@H](CNC(NC2CC2)=[NH+]C)CC1=O ZINC000849048748 588451132 /nfs/dbraw/zinc/45/11/32/588451132.db2.gz LDUOAJUPECRRPW-VIFPVBQESA-N 1 0 238.335 0.182 20 30 BCEDRO C=C[C@](C)(O)c1cn(CC(C)(C)C[NH3+])nn1 ZINC000849150778 588456210 /nfs/dbraw/zinc/45/62/10/588456210.db2.gz PLJZSJIGVRUOSS-NSHDSACASA-N 1 0 224.308 0.657 20 30 BCEDRO CCNC(NCc1nonc1C)=[NH+]CC ZINC000849214536 588461900 /nfs/dbraw/zinc/46/19/00/588461900.db2.gz MPKJVTHKIOEIBE-UHFFFAOYSA-N 1 0 211.269 0.453 20 30 BCEDRO CNC(NCC1(O)Cc2ccccc2C1)=[NH+]C ZINC000849214605 588462069 /nfs/dbraw/zinc/46/20/69/588462069.db2.gz VJXIKCDOTJFCKD-UHFFFAOYSA-N 1 0 233.315 0.311 20 30 BCEDRO C=CCCNC(=S)NCC[NH+](C)C ZINC000849278181 588468885 /nfs/dbraw/zinc/46/88/85/588468885.db2.gz SPNFEJZVKVRGOG-UHFFFAOYSA-N 1 0 201.339 0.588 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000108536574 588475870 /nfs/dbraw/zinc/47/58/70/588475870.db2.gz DQXBXWWTMHZPLS-NSHDSACASA-N 1 0 221.304 0.403 20 30 BCEDRO C=CCN(CCC(=O)NC)CC(=O)OCC ZINC000110054459 588609707 /nfs/dbraw/zinc/60/97/07/588609707.db2.gz HLRXXMWBZZFWMW-UHFFFAOYSA-N 1 0 228.292 0.174 20 30 BCEDRO C#CCCCCNC(=O)N[C@@H](C)C[NH2+]C ZINC000851658497 588613435 /nfs/dbraw/zinc/61/34/35/588613435.db2.gz ZIROLMGRJXMIJJ-JTQLQIEISA-N 1 0 211.309 0.697 20 30 BCEDRO C#CCCCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000851657874 588613463 /nfs/dbraw/zinc/61/34/63/588613463.db2.gz PFPDUAIFTNYEIJ-UHFFFAOYSA-N 1 0 235.331 0.923 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C(C)C ZINC000851661583 588613533 /nfs/dbraw/zinc/61/35/33/588613533.db2.gz LQYNVWJJIHRMIV-MXWKQRLJSA-N 1 0 241.310 0.725 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851676152 588614411 /nfs/dbraw/zinc/61/44/11/588614411.db2.gz FPIXIEQHLJDANV-SILCLGDVSA-N 1 0 207.277 0.059 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851677430 588614414 /nfs/dbraw/zinc/61/44/14/588614414.db2.gz GNHDNTIQYDFVMU-VHSXEESVSA-N 1 0 211.309 0.681 20 30 BCEDRO C#CCN(C(=O)NCC12CC(C1)C[NH2+]2)C1CC1 ZINC000851675975 588614438 /nfs/dbraw/zinc/61/44/38/588614438.db2.gz CAMYHYAGEQURQG-UHFFFAOYSA-N 1 0 233.315 0.546 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](C(=O)OCC)C1 ZINC000851713203 588615758 /nfs/dbraw/zinc/61/57/58/588615758.db2.gz CDCDSEGJDIXOIL-LBPRGKRZSA-N 1 0 239.315 0.911 20 30 BCEDRO C#CCOCC[NH+]1CCC(C2OCCO2)CC1 ZINC000851746438 588622069 /nfs/dbraw/zinc/62/20/69/588622069.db2.gz LONICNZQLUOOBX-UHFFFAOYSA-N 1 0 239.315 0.721 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000851748897 588622955 /nfs/dbraw/zinc/62/29/55/588622955.db2.gz XPPGWGWPHMOLJJ-GFCCVEGCSA-N 1 0 238.331 0.614 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](OCCO)C1 ZINC000851772653 588625970 /nfs/dbraw/zinc/62/59/70/588625970.db2.gz KQBSXDOELOLTDT-LBPRGKRZSA-N 1 0 227.304 0.110 20 30 BCEDRO C#CCN(CC#CC)C[C@@H](O)C[N@H+](C)C(C)C ZINC000851783861 588628362 /nfs/dbraw/zinc/62/83/62/588628362.db2.gz FXSPELQFMPBCQQ-AWEZNQCLSA-N 1 0 236.359 0.646 20 30 BCEDRO C#CC[N@H+](CC#CC)C[C@H](OC)[C@@H]1CCOC1 ZINC000851784815 588628448 /nfs/dbraw/zinc/62/84/48/588628448.db2.gz LKKOZKGGZKSAIO-KGLIPLIRSA-N 1 0 235.327 0.996 20 30 BCEDRO C#CCOCC[NH2+]C1(C(=O)NC)CCCC1 ZINC000851844398 588634628 /nfs/dbraw/zinc/63/46/28/588634628.db2.gz WTXXCVQRSNIMLC-UHFFFAOYSA-N 1 0 224.304 0.285 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000851862106 588635890 /nfs/dbraw/zinc/63/58/90/588635890.db2.gz UMMCXWMHNIETSQ-STQMWFEESA-N 1 0 223.316 0.995 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2cn(C)cn2)CC1 ZINC000851872488 588637797 /nfs/dbraw/zinc/63/77/97/588637797.db2.gz FAUBDQWGNUTQJQ-UHFFFAOYSA-N 1 0 232.331 0.561 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H](C)N(C)C[C@@H]1C ZINC000851887666 588640684 /nfs/dbraw/zinc/64/06/84/588640684.db2.gz SVSLONPFSQRRDM-NEPJUHHUSA-N 1 0 210.321 0.661 20 30 BCEDRO C[C@H](C(N)=O)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000851891274 588640774 /nfs/dbraw/zinc/64/07/74/588640774.db2.gz NXMFZOGPUBSGIS-SNVBAGLBSA-N 1 0 231.299 0.906 20 30 BCEDRO C#CCOCC[N@@H+](CCCCC)CC(N)=O ZINC000851911712 588642834 /nfs/dbraw/zinc/64/28/34/588642834.db2.gz DCYKVURMNXWTMO-UHFFFAOYSA-N 1 0 226.320 0.614 20 30 BCEDRO C#CCOCC[NH2+][C@@H](C)[C@@H](C)C(=O)OCC ZINC000851932011 588645279 /nfs/dbraw/zinc/64/52/79/588645279.db2.gz ASEZJDNBQBQDSZ-MNOVXSKESA-N 1 0 227.304 0.814 20 30 BCEDRO C#C[C@@H]([NH2+]CCOC(F)F)[C@H]1CCCO1 ZINC000851949162 588646936 /nfs/dbraw/zinc/64/69/36/588646936.db2.gz BBWYLUZVZPSYJJ-RKDXNWHRSA-N 1 0 219.231 0.996 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1CCC(=O)O1)[C@H]1CCCO1 ZINC000851949811 588647052 /nfs/dbraw/zinc/64/70/52/588647052.db2.gz JQBKAICICCQVRK-OUAUKWLOSA-N 1 0 223.272 0.462 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)c1ccccn1)[C@@H]1CCCO1 ZINC000851949599 588647130 /nfs/dbraw/zinc/64/71/30/588647130.db2.gz GPOBDZODDTVJPW-UBHSHLNASA-N 1 0 246.310 0.885 20 30 BCEDRO C#C[C@H]([NH2+]CCOC(F)F)[C@H]1CCCO1 ZINC000851949160 588647214 /nfs/dbraw/zinc/64/72/14/588647214.db2.gz BBWYLUZVZPSYJJ-DTWKUNHWSA-N 1 0 219.231 0.996 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000851954636 588647429 /nfs/dbraw/zinc/64/74/29/588647429.db2.gz VFARZCFTBLAGPZ-NSHDSACASA-N 1 0 220.276 0.175 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCOC[C@@H]1OCC ZINC000851952068 588647466 /nfs/dbraw/zinc/64/74/66/588647466.db2.gz HTXYQKQKDOMXOJ-RYUDHWBXSA-N 1 0 227.304 0.420 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H](C)[C@@H](OC)C1 ZINC000851970712 588649835 /nfs/dbraw/zinc/64/98/35/588649835.db2.gz JBJBJCQMTCDEEY-NEPJUHHUSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H]2CCC[C@H]2[C@H]1C(N)=O ZINC000851974968 588650003 /nfs/dbraw/zinc/65/00/03/588650003.db2.gz MRRMAPWBVJABPD-TUAOUCFPSA-N 1 0 236.315 0.222 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@H]1CCC(=O)O1 ZINC000851980206 588650812 /nfs/dbraw/zinc/65/08/12/588650812.db2.gz QNRUDSHAAXTYKH-SNVBAGLBSA-N 1 0 213.277 0.826 20 30 BCEDRO C#CCOCC[NH+]1CCC(CO)(OC)CC1 ZINC000851992462 588653074 /nfs/dbraw/zinc/65/30/74/588653074.db2.gz MAVKXTCMGXWGMT-UHFFFAOYSA-N 1 0 227.304 0.110 20 30 BCEDRO C#CCOCC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000852040835 588657176 /nfs/dbraw/zinc/65/71/76/588657176.db2.gz ODLLZMMCYJSZGP-NSHDSACASA-N 1 0 212.293 0.126 20 30 BCEDRO C#CCCC[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000852056305 588658130 /nfs/dbraw/zinc/65/81/30/588658130.db2.gz JPWMZUZPLMDXOT-UHFFFAOYSA-N 1 0 233.319 0.980 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000852076299 588660058 /nfs/dbraw/zinc/66/00/58/588660058.db2.gz QKPIEHYRBGXDER-NEPJUHHUSA-N 1 0 208.305 0.272 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NCCC(=O)OC ZINC000852096388 588661851 /nfs/dbraw/zinc/66/18/51/588661851.db2.gz AZZHUVJMGXNSGB-LBPRGKRZSA-N 1 0 240.303 0.057 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000852097222 588662316 /nfs/dbraw/zinc/66/23/16/588662316.db2.gz SKNNZCCIGUVLOE-STQMWFEESA-N 1 0 238.331 0.041 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000852103265 588663507 /nfs/dbraw/zinc/66/35/07/588663507.db2.gz BYCXBSLFDALJCT-GFCCVEGCSA-N 1 0 233.315 0.940 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000852104802 588663865 /nfs/dbraw/zinc/66/38/65/588663865.db2.gz OBBPZIKDHKXAEN-CQSZACIVSA-N 1 0 249.358 0.154 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](CO)[C@H]1CC ZINC000852113163 588664620 /nfs/dbraw/zinc/66/46/20/588664620.db2.gz VNXCSIJDPUYNGI-NWDGAFQWSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000852115829 588664828 /nfs/dbraw/zinc/66/48/28/588664828.db2.gz UZVUPEZUQLBWEC-MNOVXSKESA-N 1 0 225.288 0.568 20 30 BCEDRO C#CCOCC[NH2+]C1(CO)CCSCC1 ZINC000852160310 588668173 /nfs/dbraw/zinc/66/81/73/588668173.db2.gz DWFKFQSIJHHKLH-UHFFFAOYSA-N 1 0 229.345 0.484 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000852176348 588669435 /nfs/dbraw/zinc/66/94/35/588669435.db2.gz ANPVVHMOTQPIQP-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](c2nnc(C)[nH]2)C1 ZINC000852175794 588669613 /nfs/dbraw/zinc/66/96/13/588669613.db2.gz LGODAKYGQTVOEN-NSHDSACASA-N 1 0 234.303 0.552 20 30 BCEDRO C#CCOCC[NH2+][C@@H](C)C1(OC)CCOCC1 ZINC000852187438 588671116 /nfs/dbraw/zinc/67/11/16/588671116.db2.gz OEKRYGOGHPFCND-LBPRGKRZSA-N 1 0 241.331 0.810 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](C[C@H]2CNC(=O)C2)C1 ZINC000852206294 588671975 /nfs/dbraw/zinc/67/19/75/588671975.db2.gz FXUQPFIDCUYVLU-VXGBXAGGSA-N 1 0 220.316 0.858 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000852264085 588675156 /nfs/dbraw/zinc/67/51/56/588675156.db2.gz XJCCGMDAWGMCJT-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295699 588677144 /nfs/dbraw/zinc/67/71/44/588677144.db2.gz IHZMWGRELVLERM-JTQLQIEISA-N 1 0 249.314 0.785 20 30 BCEDRO CON(C)C(=O)CN1CCC[C@H](CC#N)C1 ZINC000852319291 588677870 /nfs/dbraw/zinc/67/78/70/588677870.db2.gz JPNZFEXPUNDUTE-SNVBAGLBSA-N 1 0 225.292 0.632 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852311534 588677993 /nfs/dbraw/zinc/67/79/93/588677993.db2.gz IUQODBIVEPYOEC-GFCCVEGCSA-N 1 0 234.303 0.250 20 30 BCEDRO C=CC[N@@H+](CC[S@](C)=O)[C@@H](C)COC ZINC000852356569 588679746 /nfs/dbraw/zinc/67/97/46/588679746.db2.gz INHYZYYDBKIFFN-HZMBPMFUSA-N 1 0 219.350 0.888 20 30 BCEDRO C#CCNC(=O)CC[N@H+](CC=C)[C@H](C)COC ZINC000852357245 588680055 /nfs/dbraw/zinc/68/00/55/588680055.db2.gz YVWKVGGBUVSGSK-GFCCVEGCSA-N 1 0 238.331 0.649 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N1CC[C@H]2C[C@H]2C1 ZINC000852359810 588680094 /nfs/dbraw/zinc/68/00/94/588680094.db2.gz NZNVJYVLSOZEEW-STQMWFEESA-N 1 0 249.358 0.993 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@](CO)(OC)C1 ZINC000852409309 588681009 /nfs/dbraw/zinc/68/10/09/588681009.db2.gz NJQOGSCDXWFACP-LBPRGKRZSA-N 1 0 227.304 0.110 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852435709 588682367 /nfs/dbraw/zinc/68/23/67/588682367.db2.gz AHBZDAYQYHEBBX-GHMZBOCLSA-N 1 0 240.303 0.450 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000852495054 588685466 /nfs/dbraw/zinc/68/54/66/588685466.db2.gz JJUYHSZQANRJOU-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000852533439 588688257 /nfs/dbraw/zinc/68/82/57/588688257.db2.gz ZARCXEDYMHEJSU-GMXVVIOVSA-N 1 0 236.315 0.093 20 30 BCEDRO C[C@@H](O)[C@H]1CCC[N@@H+]1CCO[C@@H](C)C#N ZINC000852559059 588690574 /nfs/dbraw/zinc/69/05/74/588690574.db2.gz NWCGKEHLPMQIIV-HBNTYKKESA-N 1 0 212.293 0.760 20 30 BCEDRO C[C@@]1(C#N)CCN(C[C@@H]2CCC(=O)O2)C1 ZINC000852686110 588693943 /nfs/dbraw/zinc/69/39/43/588693943.db2.gz FYFPFRAUKGPFTR-ONGXEEELSA-N 1 0 208.261 0.928 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000852664645 588694470 /nfs/dbraw/zinc/69/44/70/588694470.db2.gz JZEIUUWQBYGVRW-VXGBXAGGSA-N 1 0 209.289 0.605 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000852704005 588697079 /nfs/dbraw/zinc/69/70/79/588697079.db2.gz NSEYIADJVVUHEG-YPMHNXCESA-N 1 0 238.331 0.076 20 30 BCEDRO CC#CC[NH+]1CCC(NC(=O)OC)CC1 ZINC000852768059 588701296 /nfs/dbraw/zinc/70/12/96/588701296.db2.gz UBQQSAZHGSOHJY-UHFFFAOYSA-N 1 0 210.277 0.830 20 30 BCEDRO C[N@@H+](CC(=O)NCCC#N)C[C@H]1CC1(C)C ZINC000852773591 588701450 /nfs/dbraw/zinc/70/14/50/588701450.db2.gz BECPHFRPBGTHFA-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO CC[NH2+]CCNC(=O)c1ccc(C#N)c(OC)c1 ZINC000852794933 588703217 /nfs/dbraw/zinc/70/32/17/588703217.db2.gz DAHCGKWGKPCAQW-UHFFFAOYSA-N 1 0 247.298 0.906 20 30 BCEDRO Nc1ccc(NC(=O)C#CC2CC[NH2+]CC2)cn1 ZINC000852794685 588703285 /nfs/dbraw/zinc/70/32/85/588703285.db2.gz BSRZMSDWZUIHOY-UHFFFAOYSA-N 1 0 244.298 0.605 20 30 BCEDRO Cc1n[nH]c(C)c1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852802078 588704474 /nfs/dbraw/zinc/70/44/74/588704474.db2.gz CPJCPKHWHLSDIS-UHFFFAOYSA-N 1 0 246.314 0.968 20 30 BCEDRO C[C@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852806704 588704966 /nfs/dbraw/zinc/70/49/66/588704966.db2.gz XPLQBXWQHKZXFX-NSHDSACASA-N 1 0 236.315 0.237 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCC1CCC1 ZINC000852812768 588705245 /nfs/dbraw/zinc/70/52/45/588705245.db2.gz FUSPQKPBJWNSPH-UHFFFAOYSA-N 1 0 220.316 0.906 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCc1cc[nH]n1 ZINC000852816719 588705474 /nfs/dbraw/zinc/70/54/74/588705474.db2.gz DGJPAAFBCUSVOG-UHFFFAOYSA-N 1 0 232.287 0.029 20 30 BCEDRO CO[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852843002 588705997 /nfs/dbraw/zinc/70/59/97/588705997.db2.gz NLVYWHNOIFUBAM-LBPRGKRZSA-N 1 0 236.315 0.237 20 30 BCEDRO CC1(C)CC[C@@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852828529 588706481 /nfs/dbraw/zinc/70/64/81/588706481.db2.gz YJAUEGXOYVNQHP-IVZWLZJFSA-N 1 0 221.304 0.650 20 30 BCEDRO Cc1ccncc1CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852828251 588706495 /nfs/dbraw/zinc/70/64/95/588706495.db2.gz WIBOBFDXGGQSMD-VXGBXAGGSA-N 1 0 244.298 0.160 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1CCSC1 ZINC000852841564 588707389 /nfs/dbraw/zinc/70/73/89/588707389.db2.gz MICMFQASOLKNTL-LLVKDONJSA-N 1 0 238.356 0.611 20 30 BCEDRO C[C@H]1C[C@@H](NC(=O)C#CC2CC[NH2+]CC2)CO1 ZINC000852894505 588712054 /nfs/dbraw/zinc/71/20/54/588712054.db2.gz LAYYVQMTNOOTPW-CMPLNLGQSA-N 1 0 236.315 0.283 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N1CC[C@@H]2C[C@@H]2C1 ZINC000852915183 588713070 /nfs/dbraw/zinc/71/30/70/588713070.db2.gz SKGAOBFLHKHFKE-CHWSQXEVSA-N 1 0 232.327 0.858 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852916325 588713224 /nfs/dbraw/zinc/71/32/24/588713224.db2.gz DSVBXAVASAPZJE-CQSZACIVSA-N 1 0 245.326 0.752 20 30 BCEDRO C#CCCCCNC(=O)N(CC)CC[NH3+] ZINC000861609929 589170300 /nfs/dbraw/zinc/17/03/00/589170300.db2.gz RJIVFGDEDGKPNW-UHFFFAOYSA-N 1 0 211.309 0.780 20 30 BCEDRO C#CCCCCNC(=O)N(C)CCOCC[NH3+] ZINC000861609365 589170382 /nfs/dbraw/zinc/17/03/82/589170382.db2.gz HYKLCJBZTQOCBK-UHFFFAOYSA-N 1 0 241.335 0.407 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861624641 589170924 /nfs/dbraw/zinc/17/09/24/589170924.db2.gz VPLWYTKISITEBJ-QWRGUYRKSA-N 1 0 223.320 0.840 20 30 BCEDRO C[C@@H]1CC[C@@H](NC(=O)NCCC#N)C[NH2+]1 ZINC000861628196 589171087 /nfs/dbraw/zinc/17/10/87/589171087.db2.gz KHPAHFKWNMBCEF-RKDXNWHRSA-N 1 0 210.281 0.340 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N(C)C[C@H](C)[NH3+] ZINC000861636704 589171750 /nfs/dbraw/zinc/17/17/50/589171750.db2.gz URSTVXPTUWSEKY-AEJSXWLSSA-N 1 0 227.308 0.319 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861662552 589173675 /nfs/dbraw/zinc/17/36/75/589173675.db2.gz YAQREAHQYHMOFB-LLVKDONJSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861673721 589173676 /nfs/dbraw/zinc/17/36/76/589173676.db2.gz PDEQRYCRJJXUBQ-VHSXEESVSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861689558 589174540 /nfs/dbraw/zinc/17/45/40/589174540.db2.gz GGAIEQKXDAKHSS-LPEHRKFASA-N 1 0 209.293 0.448 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861702408 589175229 /nfs/dbraw/zinc/17/52/29/589175229.db2.gz NOTNEVPUJCHKRM-HBNTYKKESA-N 1 0 223.320 0.838 20 30 BCEDRO N#CC1CCN(C(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000861707455 589175725 /nfs/dbraw/zinc/17/57/25/589175725.db2.gz WRXDVDVYCOGOCR-SNVBAGLBSA-N 1 0 222.292 0.293 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1ccnc(F)c1C ZINC000862294914 589200805 /nfs/dbraw/zinc/20/08/05/589200805.db2.gz UZWXEXWJGOXRAF-UHFFFAOYSA-N 1 0 237.278 0.921 20 30 BCEDRO C#CCOc1ccc(C[NH+](CCO)CCO)cc1 ZINC000862429158 589212631 /nfs/dbraw/zinc/21/26/31/589212631.db2.gz BZEFZFKTZVPQQK-UHFFFAOYSA-N 1 0 249.310 0.485 20 30 BCEDRO C#Cc1ccc(C[NH+](CCO)CCO)cc1 ZINC000862429768 589212633 /nfs/dbraw/zinc/21/26/33/589212633.db2.gz JYYPTRLRCQUPEC-UHFFFAOYSA-N 1 0 219.284 0.455 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CC1(C)COC1 ZINC000862762828 589238134 /nfs/dbraw/zinc/23/81/34/589238134.db2.gz AGBIBMBDPYBVCG-UHFFFAOYSA-N 1 0 226.320 0.599 20 30 BCEDRO C=C(CO)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000863032448 589252376 /nfs/dbraw/zinc/25/23/76/589252376.db2.gz ONOPXTWITYWLKI-GFCCVEGCSA-N 1 0 238.331 0.668 20 30 BCEDRO COC(=O)CC1CCC(N=NC(N)=[NH2+])CC1 ZINC000863078942 589254703 /nfs/dbraw/zinc/25/47/03/589254703.db2.gz BTZARRUVPZIWOY-UHFFFAOYSA-N 1 0 226.280 0.579 20 30 BCEDRO CCC(=[NH+]NCCO)c1ccc(N)cc1 ZINC000863115766 589259305 /nfs/dbraw/zinc/25/93/05/589259305.db2.gz YGEYPYRLJQJHOR-UHFFFAOYSA-N 1 0 207.277 0.965 20 30 BCEDRO CCn1nncc1C=NNc1cc[nH+]cc1C ZINC000863158206 589263787 /nfs/dbraw/zinc/26/37/87/589263787.db2.gz RCPVYRXAHCTZQU-UHFFFAOYSA-N 1 0 230.275 0.869 20 30 BCEDRO C[C@H]1CC(=Nn2ccc(=O)[nH]c2=O)CN1C1CC1 ZINC000863185506 589269770 /nfs/dbraw/zinc/26/97/70/589269770.db2.gz WGTGMXUSFZPZON-QMMMGPOBSA-N 1 0 248.286 0.410 20 30 BCEDRO COCC(COC)NN=C1C[N@@H+]2C[C@@H]1CCC2 ZINC000863193654 589270195 /nfs/dbraw/zinc/27/01/95/589270195.db2.gz UJDNYGYTJOMXDC-JTQLQIEISA-N 1 0 241.335 0.319 20 30 BCEDRO CC(C)(C)C#CC(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000863318026 589279381 /nfs/dbraw/zinc/27/93/81/589279381.db2.gz SDDAIUQGJWIXPA-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO C=CCCn1cc(CN(C)C[C@H](C)[NH3+])nn1 ZINC000863567756 589300201 /nfs/dbraw/zinc/30/02/01/589300201.db2.gz GQBPAHTUKBTTFS-JTQLQIEISA-N 1 0 223.324 0.633 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC[C@@H]2C[C@@H]2C1 ZINC000863570118 589300568 /nfs/dbraw/zinc/30/05/68/589300568.db2.gz SCQCNJGLBNPXJW-IJLUTSLNSA-N 1 0 220.316 0.904 20 30 BCEDRO C#CCOc1ccc(C(=O)N(C)CC[NH3+])cc1 ZINC000863585988 589301038 /nfs/dbraw/zinc/30/10/38/589301038.db2.gz RKVQTSLURGCWJQ-UHFFFAOYSA-N 1 0 232.283 0.729 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)CSC ZINC000863589693 589301041 /nfs/dbraw/zinc/30/10/41/589301041.db2.gz VEGRPVUAPASXTL-VHSXEESVSA-N 1 0 217.334 0.338 20 30 BCEDRO C#CCOc1ccc(C(=O)NC[C@H](C)[NH3+])cc1 ZINC000863584630 589301560 /nfs/dbraw/zinc/30/15/60/589301560.db2.gz CGOUDNCJGJSFHF-JTQLQIEISA-N 1 0 232.283 0.776 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)[C@H](C)[NH+](C)C ZINC000863785324 589317843 /nfs/dbraw/zinc/31/78/43/589317843.db2.gz CSFPPHAHQRDTAE-WDEREUQCSA-N 1 0 226.320 0.481 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000863804431 589320294 /nfs/dbraw/zinc/32/02/94/589320294.db2.gz FSABDBNBCBCKGO-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCCCCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863832625 589321999 /nfs/dbraw/zinc/32/19/99/589321999.db2.gz CJIQJIZGFNTZDA-LBPRGKRZSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CCOCCC(=O)NCC[NH+]1CCCCC1 ZINC000119702456 589325124 /nfs/dbraw/zinc/32/51/24/589325124.db2.gz TXYCRVHHAYPXGS-UHFFFAOYSA-N 1 0 238.331 0.628 20 30 BCEDRO C#CCOCCC(=O)NCC1([NH2+]C)CCC1 ZINC000863922352 589326427 /nfs/dbraw/zinc/32/64/27/589326427.db2.gz QWTVXUHETKSUIH-UHFFFAOYSA-N 1 0 224.304 0.285 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C[N@H+](C)C1CCC1 ZINC000863944656 589328814 /nfs/dbraw/zinc/32/88/14/589328814.db2.gz PAKHOOANFMDZBA-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)C[C@](C)(O)C1CC1)C1CC1 ZINC000863970114 589329546 /nfs/dbraw/zinc/32/95/46/589329546.db2.gz PMPJTCJTMLMNPK-KGLIPLIRSA-N 1 0 237.343 0.996 20 30 BCEDRO N#CCC1CN(C(=O)C2C[NH+]([C@H]3CCOC3)C2)C1 ZINC000864068697 589338590 /nfs/dbraw/zinc/33/85/90/589338590.db2.gz VDRQKBVKCMGTKR-LBPRGKRZSA-N 1 0 249.314 0.079 20 30 BCEDRO CNC(NCc1c(C(F)(F)F)cnn1C)=[NH+]C ZINC000864355416 589355022 /nfs/dbraw/zinc/35/50/22/589355022.db2.gz GCBBQDZERYGTLP-UHFFFAOYSA-N 1 0 249.240 0.734 20 30 BCEDRO CNC(NCc1cc(C(=O)OC)co1)=[NH+]C ZINC000864358159 589355374 /nfs/dbraw/zinc/35/53/74/589355374.db2.gz MJABEBBVHVUAQE-UHFFFAOYSA-N 1 0 225.248 0.361 20 30 BCEDRO CNC(NCC[C@H](O)C1CCCC1)=[NH+]C ZINC000864357970 589355584 /nfs/dbraw/zinc/35/55/84/589355584.db2.gz BWNTUEUVCAPKOZ-JTQLQIEISA-N 1 0 213.325 0.722 20 30 BCEDRO CNC(NC[C@@H]1C[C@H]1C1CCOCC1)=[NH+]C ZINC000864358387 589355668 /nfs/dbraw/zinc/35/56/68/589355668.db2.gz XGWYCEKOFUBMGS-QWRGUYRKSA-N 1 0 225.336 0.844 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000864415213 589360366 /nfs/dbraw/zinc/36/03/66/589360366.db2.gz DIANWFSVHOVXLL-UHFFFAOYSA-N 1 0 223.320 0.745 20 30 BCEDRO C[NH+](C)CCCNC(=O)[C@@]1(C#N)CCCOC1 ZINC000864415981 589360778 /nfs/dbraw/zinc/36/07/78/589360778.db2.gz KTYNNPISIUGGMU-GFCCVEGCSA-N 1 0 239.319 0.375 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2[C@H](CC[N@H+]2C)C1 ZINC000864422741 589361593 /nfs/dbraw/zinc/36/15/93/589361593.db2.gz NOSOWJVVFJKBEF-GHMZBOCLSA-N 1 0 221.304 0.355 20 30 BCEDRO C[C@H]1C[C@H]1NC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000864464246 589370357 /nfs/dbraw/zinc/37/03/57/589370357.db2.gz UJGSSENMVHAWIP-GZMMTYOYSA-N 1 0 229.287 0.976 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])N[C@H]2C[C@@H]2C)nn1 ZINC000864470157 589372813 /nfs/dbraw/zinc/37/28/13/589372813.db2.gz WEBQZTHKARAOQR-WPRPVWTQSA-N 1 0 234.307 0.486 20 30 BCEDRO C[NH+]1CCC(NC(=O)c2coc(C#N)c2)CC1 ZINC000864596534 589381581 /nfs/dbraw/zinc/38/15/81/589381581.db2.gz ULQDKXYRMCDRJL-UHFFFAOYSA-N 1 0 233.271 0.975 20 30 BCEDRO C=C(Cn1ccnc1C[NH3+])C(=O)OCC ZINC000864620562 589384560 /nfs/dbraw/zinc/38/45/60/589384560.db2.gz SVKMOAWKOOHOEN-UHFFFAOYSA-N 1 0 209.249 0.461 20 30 BCEDRO C=C[C@](C)(O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000864641871 589386572 /nfs/dbraw/zinc/38/65/72/589386572.db2.gz KZBLJKCZGZEDDD-ONGXEEELSA-N 1 0 222.292 0.424 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)[C@@H](O)c1cnc[nH]1 ZINC000864979755 589403200 /nfs/dbraw/zinc/40/32/00/589403200.db2.gz QMRUKQBOBUOSSN-APPZFPTMSA-N 1 0 222.248 0.061 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000865527140 589443291 /nfs/dbraw/zinc/44/32/91/589443291.db2.gz GLZTXZQDXYGZDJ-GFCCVEGCSA-N 1 0 246.314 0.995 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000865646567 589454090 /nfs/dbraw/zinc/45/40/90/589454090.db2.gz WFJOOKNXXBKIHS-LLVKDONJSA-N 1 0 220.272 0.915 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3ncncc3C#N)CC[C@H]21 ZINC000866205715 589480196 /nfs/dbraw/zinc/48/01/96/589480196.db2.gz AAUPLHQUVCTLQH-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO Cn1ncc(C#N)c1N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000866208756 589480478 /nfs/dbraw/zinc/48/04/78/589480478.db2.gz ODINMFKUCAHXRL-ZYHUDNBSSA-N 1 0 245.330 0.822 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3cc(C#N)ncn3)CC[C@@H]21 ZINC000866210175 589480618 /nfs/dbraw/zinc/48/06/18/589480618.db2.gz YZIDMFHDFICOPH-PWSUYJOCSA-N 1 0 243.314 0.879 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000866243905 589482471 /nfs/dbraw/zinc/48/24/71/589482471.db2.gz VGDRBLVWFRHPKC-QWHCGFSZSA-N 1 0 232.327 0.812 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1coc(C#N)c1 ZINC000866310736 589485934 /nfs/dbraw/zinc/48/59/34/589485934.db2.gz OXFPMNVPYVRCSS-UHFFFAOYSA-N 1 0 221.260 0.785 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866721522 589515136 /nfs/dbraw/zinc/51/51/36/589515136.db2.gz WINQXNDOPNPCLU-MNOVXSKESA-N 1 0 223.320 0.115 20 30 BCEDRO C#CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000867727566 589532685 /nfs/dbraw/zinc/53/26/85/589532685.db2.gz ARISBTYGAJHJPZ-UHFFFAOYSA-N 1 0 234.303 0.150 20 30 BCEDRO N#Cc1cc(C(=O)NC[C@H]2CCC[NH2+]C2)co1 ZINC000867964515 589541712 /nfs/dbraw/zinc/54/17/12/589541712.db2.gz OCDSZAJBHIOFAN-VIFPVBQESA-N 1 0 233.271 0.881 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@@H]1NC(=O)c1coc(C#N)c1 ZINC000867968165 589541947 /nfs/dbraw/zinc/54/19/47/589541947.db2.gz ACLRHBHVWPLLAI-KWQFWETISA-N 1 0 233.271 0.879 20 30 BCEDRO N#Cc1cc(C(=O)NCC2=CC[NH2+]CC2)co1 ZINC000867968673 589541948 /nfs/dbraw/zinc/54/19/48/589541948.db2.gz GXFSZBGWMRYKSB-UHFFFAOYSA-N 1 0 231.255 0.801 20 30 BCEDRO N#Cc1cc(C(=O)N[C@@H](C[NH3+])C(F)(F)F)co1 ZINC000867983086 589542469 /nfs/dbraw/zinc/54/24/69/589542469.db2.gz JSTDVGOFQRHPSX-ZETCQYMHSA-N 1 0 247.176 0.771 20 30 BCEDRO C[C@@H]([NH3+])CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868037223 589546012 /nfs/dbraw/zinc/54/60/12/589546012.db2.gz BUFYZLBFSPRPKM-NOZJJQNGSA-N 1 0 243.310 0.879 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@](C)([NH3+])C1 ZINC000868077931 589548588 /nfs/dbraw/zinc/54/85/88/589548588.db2.gz GRJBYNZKVMFNIJ-LLVKDONJSA-N 1 0 212.293 0.529 20 30 BCEDRO C[NH+]1CCC(ONC(=O)c2coc(C#N)c2)CC1 ZINC000868090880 589549629 /nfs/dbraw/zinc/54/96/29/589549629.db2.gz QWSOBMAZVHJJHB-UHFFFAOYSA-N 1 0 249.270 0.907 20 30 BCEDRO CC#CCNC(=O)N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000868454272 589558787 /nfs/dbraw/zinc/55/87/87/589558787.db2.gz AOSWPGGYTNUVGQ-NWDGAFQWSA-N 1 0 235.331 0.745 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CC1CSC1 ZINC000868582245 589565424 /nfs/dbraw/zinc/56/54/24/589565424.db2.gz XGIFHQAVIKVFDA-UHFFFAOYSA-N 1 0 240.372 0.811 20 30 BCEDRO COCC(C)(C)[NH2+]CC(=O)NCCC#N ZINC000122352808 589582609 /nfs/dbraw/zinc/58/26/09/589582609.db2.gz NTVCKMNQQCCOKI-UHFFFAOYSA-N 1 0 213.281 0.031 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)Nc1n[nH]cc1C#N ZINC000868912093 589582247 /nfs/dbraw/zinc/58/22/47/589582247.db2.gz UNZSUWFETHJCPK-JTQLQIEISA-N 1 0 243.270 0.317 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)/C=C/COC ZINC000870194093 589648355 /nfs/dbraw/zinc/64/83/55/589648355.db2.gz IRUUEWXXOCZROR-PZBABLGHSA-N 1 0 237.299 0.830 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)/C=C\COC ZINC000870194092 589648478 /nfs/dbraw/zinc/64/84/78/589648478.db2.gz IRUUEWXXOCZROR-HWPRWLFBSA-N 1 0 237.299 0.830 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@H]3C2)co1 ZINC000870913489 589696734 /nfs/dbraw/zinc/69/67/34/589696734.db2.gz CAQZWCZDPHPTMA-CABZTGNLSA-N 1 0 245.282 0.975 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)co1 ZINC000870913487 589696968 /nfs/dbraw/zinc/69/69/68/589696968.db2.gz CAQZWCZDPHPTMA-BXKDBHETSA-N 1 0 245.282 0.975 20 30 BCEDRO CN(C(=O)c1coc(C#N)c1)C1CC[NH2+]CC1 ZINC000870933463 589697977 /nfs/dbraw/zinc/69/79/77/589697977.db2.gz ZESJZWOYHAYOTD-UHFFFAOYSA-N 1 0 233.271 0.975 20 30 BCEDRO C[C@H]1C[NH2+]CCN1C(=O)c1coc(C#N)c1 ZINC000870934113 589698235 /nfs/dbraw/zinc/69/82/35/589698235.db2.gz FNYQMBJTKPWQLF-QMMMGPOBSA-N 1 0 219.244 0.585 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[C@H]([NH3+])C2)co1 ZINC000870934448 589698330 /nfs/dbraw/zinc/69/83/30/589698330.db2.gz NYPZVCUCJUVJLS-QMMMGPOBSA-N 1 0 205.217 0.324 20 30 BCEDRO C[C@H]([NH3+])[C@H]1CN(C(=O)c2coc(C#N)c2)CCO1 ZINC000870938947 589699171 /nfs/dbraw/zinc/69/91/71/589699171.db2.gz WYYOVJUELDZSHN-GZMMTYOYSA-N 1 0 249.270 0.339 20 30 BCEDRO C[C@@H]1CN(C(=O)c2coc(C#N)c2)C[C@H]1[NH3+] ZINC000870946139 589700413 /nfs/dbraw/zinc/70/04/13/589700413.db2.gz PZBJRXXRTRGAAN-GMSGAONNSA-N 1 0 219.244 0.570 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000870970505 589703274 /nfs/dbraw/zinc/70/32/74/589703274.db2.gz YDEWACYZGRAFRA-GMTAPVOTSA-N 1 0 226.320 0.821 20 30 BCEDRO CC(C)([NH3+])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000871012644 589711431 /nfs/dbraw/zinc/71/14/31/589711431.db2.gz YWWUFDXQCSYWJQ-GFCCVEGCSA-N 1 0 243.310 0.879 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])N(C)CCOC ZINC000871606875 589769008 /nfs/dbraw/zinc/76/90/08/589769008.db2.gz YEFIHKJBZXBELS-JTQLQIEISA-N 1 0 229.324 0.274 20 30 BCEDRO C#CCNC(=O)N1C[C@@H](C[NH3+])[C@H](C(F)(F)F)C1 ZINC000871600139 589772598 /nfs/dbraw/zinc/77/25/98/589772598.db2.gz JNVZXUMPLUXGRB-HTQZYQBOSA-N 1 0 249.236 0.398 20 30 BCEDRO CNC(NCCc1ccc(OC)c(O)c1)=[NH+]C ZINC000871603023 589773411 /nfs/dbraw/zinc/77/34/11/589773411.db2.gz BKWQEVXQQRYBJV-UHFFFAOYSA-N 1 0 237.303 0.738 20 30 BCEDRO CNC(NCCC[C@@H]1CCOC1=O)=[NH+]C ZINC000871603331 589773479 /nfs/dbraw/zinc/77/34/79/589773479.db2.gz OJTFQELGVODBIQ-MRVPVSSYSA-N 1 0 213.281 0.125 20 30 BCEDRO C#CCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000871600920 589773592 /nfs/dbraw/zinc/77/35/92/589773592.db2.gz YZLVVGLUNGEYEE-GXSJLCMTSA-N 1 0 207.277 0.203 20 30 BCEDRO COCCN(C)C(=[NH2+])NCCCCC#N ZINC000871603975 589774408 /nfs/dbraw/zinc/77/44/08/589774408.db2.gz OPHLHVGEVSSUTQ-UHFFFAOYSA-N 1 0 212.297 0.783 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H](C)c2ccnn2C)C1=O ZINC000871925497 589832797 /nfs/dbraw/zinc/83/27/97/589832797.db2.gz CDAITTANKLRCPY-GHMZBOCLSA-N 1 0 248.330 0.858 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000871930664 589833808 /nfs/dbraw/zinc/83/38/08/589833808.db2.gz ZDCJDKCCPYEIFJ-GHMZBOCLSA-N 1 0 246.314 0.446 20 30 BCEDRO C=CCOCCC[NH2+]C[C@H](O)CC(C)(C)O ZINC000871983030 589853199 /nfs/dbraw/zinc/85/31/99/589853199.db2.gz OXAKYHLERRGMAC-LLVKDONJSA-N 1 0 231.336 0.691 20 30 BCEDRO C[C@@H](C#N)C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872200489 589890283 /nfs/dbraw/zinc/89/02/83/589890283.db2.gz IQXLBKNSLDTGRG-DTWKUNHWSA-N 1 0 200.282 0.258 20 30 BCEDRO C[C@H](C#N)C[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872200480 589890500 /nfs/dbraw/zinc/89/05/00/589890500.db2.gz IQXLBKNSLDTGRG-BDAKNGLRSA-N 1 0 200.282 0.258 20 30 BCEDRO C#CCCC[NH2+]C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000872203666 589890990 /nfs/dbraw/zinc/89/09/90/589890990.db2.gz MIFKWBHDXNWICI-CHWSQXEVSA-N 1 0 225.332 0.901 20 30 BCEDRO CC(C)(O)C[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000872205627 589892083 /nfs/dbraw/zinc/89/20/83/589892083.db2.gz KIZNOSOKKCGWSY-VIFPVBQESA-N 1 0 214.309 0.648 20 30 BCEDRO CC(C)(O)C[C@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000872206870 589892263 /nfs/dbraw/zinc/89/22/63/589892263.db2.gz GJKQNEYONZYRAH-JTQLQIEISA-N 1 0 226.320 0.792 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872310044 589909028 /nfs/dbraw/zinc/90/90/28/589909028.db2.gz KTCQGCFLPOIMRP-PWSUYJOCSA-N 1 0 222.288 0.037 20 30 BCEDRO CN1CCN(N=CC2CC[NH+](C)CC2)CC1 ZINC000872325478 589913011 /nfs/dbraw/zinc/91/30/11/589913011.db2.gz SQSQACFHTMQUDW-UHFFFAOYSA-N 1 0 224.352 0.561 20 30 BCEDRO Cn1nc2c(c1C=NNC(N)=[NH2+])CCCC2 ZINC000872341725 589914965 /nfs/dbraw/zinc/91/49/65/589914965.db2.gz YBTFUSPENRHYER-UHFFFAOYSA-N 1 0 220.280 0.116 20 30 BCEDRO CN(C)c1ccc(F)cc1C=NOCC(N)=O ZINC000872362028 589919328 /nfs/dbraw/zinc/91/93/28/589919328.db2.gz AVEVJOBLEIXHCL-UHFFFAOYSA-N 1 0 239.250 0.728 20 30 BCEDRO COC[C@H](C)N[NH+]=Cc1c(C)ccnc1N ZINC000872363223 589920098 /nfs/dbraw/zinc/92/00/98/589920098.db2.gz UGORXVUJTXFTPK-VIFPVBQESA-N 1 0 222.292 0.931 20 30 BCEDRO COc1nccnc1N=NC1CC[N@H+](C)[C@H]1C ZINC000872366686 589921336 /nfs/dbraw/zinc/92/13/36/589921336.db2.gz HWBTUNQUPHKTIW-QMMMGPOBSA-N 1 0 235.291 0.977 20 30 BCEDRO C[C@H]1C(N=Nc2cncnc2)CC[N@@H+]1C ZINC000872373091 589924460 /nfs/dbraw/zinc/92/44/60/589924460.db2.gz ZBGMJLNXKAEILB-QMMMGPOBSA-N 1 0 205.265 0.969 20 30 BCEDRO C[C@@H]1C(N=Nc2cnnn2C)CC[N@@H+]1C ZINC000872379341 589927332 /nfs/dbraw/zinc/92/73/32/589927332.db2.gz USIXCWKNCRIRFW-SSDOTTSWSA-N 1 0 208.269 0.307 20 30 BCEDRO C[C@H]1C(N=Nc2cnnn2C)CC[N@@H+]1C ZINC000872379342 589927502 /nfs/dbraw/zinc/92/75/02/589927502.db2.gz USIXCWKNCRIRFW-ZETCQYMHSA-N 1 0 208.269 0.307 20 30 BCEDRO C[NH+]1CCC(C=NN2CCC[C@H]2CO)CC1 ZINC000872385594 589929056 /nfs/dbraw/zinc/92/90/56/589929056.db2.gz JCSKMUWTAWHXAC-LBPRGKRZSA-N 1 0 225.336 0.771 20 30 BCEDRO Cc1cc(N=NC2CC[N@H+](C)[C@@H]2C)nc(N)n1 ZINC000872421713 589938471 /nfs/dbraw/zinc/93/84/71/589938471.db2.gz VOHSMQQVDUSERX-MRVPVSSYSA-N 1 0 234.307 0.859 20 30 BCEDRO COCCNC(=[NH2+])NC[C@]1(C)CCCS1 ZINC000124304422 589974404 /nfs/dbraw/zinc/97/44/04/589974404.db2.gz KBZDTUQLSPVNGO-JTQLQIEISA-N 1 0 231.365 0.823 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCNC(=O)CC1 ZINC000873129288 589985698 /nfs/dbraw/zinc/98/56/98/589985698.db2.gz KFMDMVCAFAKGMS-QWRGUYRKSA-N 1 0 226.320 0.572 20 30 BCEDRO C#CCNC(=O)C[N@H+]1[C@@H](C)CC[C@@H]1CC ZINC000124631303 590068305 /nfs/dbraw/zinc/06/83/05/590068305.db2.gz QWAKMSCQIWBBJB-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCN(CC)C(=O)C1(C[NH+](C)C)CC1 ZINC000874164304 590095436 /nfs/dbraw/zinc/09/54/36/590095436.db2.gz CNLVZGSGZOWPGS-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CCN(CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000874167722 590095848 /nfs/dbraw/zinc/09/58/48/590095848.db2.gz XVCDOKQFUANMKF-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO C[NH+](C)CC1(C(=O)N[C@@H](C#N)C2CC2)CC1 ZINC000874447714 590111094 /nfs/dbraw/zinc/11/10/94/590111094.db2.gz HHMGTQDWCCWOHC-JTQLQIEISA-N 1 0 221.304 0.747 20 30 BCEDRO C#CCN1CCN(C(=O)C[C@H]2CC[N@@H+](C)C2)CC1 ZINC000874468952 590114463 /nfs/dbraw/zinc/11/44/63/590114463.db2.gz WOCQVDRJZPBXPE-CYBMUJFWSA-N 1 0 249.358 0.106 20 30 BCEDRO CON=CC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000874831096 590143610 /nfs/dbraw/zinc/14/36/10/590143610.db2.gz XZUNGNXNYCNKSZ-ZJUUUORDSA-N 1 0 225.292 0.314 20 30 BCEDRO C#CCSCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000125457223 590165255 /nfs/dbraw/zinc/16/52/55/590165255.db2.gz KQNMAKQXAVYZFM-SNVBAGLBSA-N 1 0 241.360 0.436 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NC1(C)COC1 ZINC000875622888 590166907 /nfs/dbraw/zinc/16/69/07/590166907.db2.gz LPYMIQSHSMFZIJ-UHFFFAOYSA-N 1 0 239.319 0.030 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CCC([NH3+])CC1 ZINC000876499942 590202558 /nfs/dbraw/zinc/20/25/58/590202558.db2.gz ALWMZEHZSKGHFN-UHFFFAOYSA-N 1 0 208.305 0.986 20 30 BCEDRO C[NH2+]C[C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000876503009 590203612 /nfs/dbraw/zinc/20/36/12/590203612.db2.gz WEUVACORADVSFY-GFCCVEGCSA-N 1 0 220.316 0.858 20 30 BCEDRO CC(=O)NCCCNC(=[NH2+])N1CCCCCC1 ZINC000125997583 590203735 /nfs/dbraw/zinc/20/37/35/590203735.db2.gz LHUKCBWVJBZVLM-UHFFFAOYSA-N 1 0 240.351 0.703 20 30 BCEDRO O=C(C#CC1CC1)NC[C@H]1CCC[NH2+]C1 ZINC000876513547 590206095 /nfs/dbraw/zinc/20/60/95/590206095.db2.gz NIWHQHHSGRGJCO-NSHDSACASA-N 1 0 206.289 0.516 20 30 BCEDRO C[C@@H](NC(=O)C#CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000876516413 590206702 /nfs/dbraw/zinc/20/67/02/590206702.db2.gz RJCKKVVOBKJCIE-PWSUYJOCSA-N 1 0 220.316 0.904 20 30 BCEDRO C[C@H]1CCCN(C(=O)C#CC2CC2)[C@@H]1C[NH3+] ZINC000876534616 590210926 /nfs/dbraw/zinc/21/09/26/590210926.db2.gz SMNSWQUULPBLOB-CMPLNLGQSA-N 1 0 220.316 0.986 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)COC ZINC000876549819 590214482 /nfs/dbraw/zinc/21/44/82/590214482.db2.gz KBDUJIAJZAGJOI-HTQZYQBOSA-N 1 0 220.700 0.607 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CC)C(=O)OC ZINC000876579655 590218460 /nfs/dbraw/zinc/21/84/60/590218460.db2.gz JPZSBPMXLOMVRG-SFYZADRCSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCC(=O)N(C)C ZINC000876603086 590220706 /nfs/dbraw/zinc/22/07/06/590220706.db2.gz YYVNDJLZOCTYQS-MRVPVSSYSA-N 1 0 247.726 0.051 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H]1CCCOC1 ZINC000876607353 590221163 /nfs/dbraw/zinc/22/11/63/590221163.db2.gz UCMOAMHGWGUHNI-VHSXEESVSA-N 1 0 246.738 0.999 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC(=O)OC(C)C ZINC000876603936 590221256 /nfs/dbraw/zinc/22/12/56/590221256.db2.gz FKXBDSKWBURGCD-MRVPVSSYSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1CCCOC1 ZINC000876607354 590221289 /nfs/dbraw/zinc/22/12/89/590221289.db2.gz UCMOAMHGWGUHNI-ZJUUUORDSA-N 1 0 246.738 0.999 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCc1cc[nH]n1 ZINC000876604417 590221336 /nfs/dbraw/zinc/22/13/36/590221336.db2.gz ALOLBPNJYZBSSZ-MRVPVSSYSA-N 1 0 228.683 0.496 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC(=O)NCC ZINC000876606917 590221479 /nfs/dbraw/zinc/22/14/79/590221479.db2.gz GQEPSCZCWVCHLX-QMMMGPOBSA-N 1 0 247.726 0.051 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)C(=O)OC ZINC000876641908 590225855 /nfs/dbraw/zinc/22/58/55/590225855.db2.gz PXCHHFXLMCKMGA-SVRRBLITSA-N 1 0 248.710 0.382 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C(N)=O)C(C)C ZINC000876651600 590226004 /nfs/dbraw/zinc/22/60/04/590226004.db2.gz AMXLWONYWPDUEX-JGVFFNPUSA-N 1 0 247.726 0.082 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](O)CCC ZINC000876659106 590227380 /nfs/dbraw/zinc/22/73/80/590227380.db2.gz NOSXNGMNNGVYCB-DTWKUNHWSA-N 1 0 234.727 0.734 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000876667311 590227869 /nfs/dbraw/zinc/22/78/69/590227869.db2.gz WKGIGCPMDCIWLO-AEJSXWLSSA-N 1 0 244.722 0.846 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876668953 590228227 /nfs/dbraw/zinc/22/82/27/590228227.db2.gz WVOGZZYIENJSIT-CIUDSAMLSA-N 1 0 200.257 0.625 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876668907 590228266 /nfs/dbraw/zinc/22/82/66/590228266.db2.gz VFVFAXWXWANAEW-JGVFFNPUSA-N 1 0 220.675 0.803 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)C[C@H](C)O ZINC000876676313 590229091 /nfs/dbraw/zinc/22/90/91/590229091.db2.gz NQKDBICSKOYILH-JEZHCXPESA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)c1cn[nH]c1 ZINC000876779053 590240145 /nfs/dbraw/zinc/24/01/45/590240145.db2.gz VDMLUEZIUPABSF-QMMMGPOBSA-N 1 0 228.683 0.842 20 30 BCEDRO O=C(C#CC1CC1)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000876786256 590240823 /nfs/dbraw/zinc/24/08/23/590240823.db2.gz FRXVRAVLAKLIIO-LBPRGKRZSA-N 1 0 218.300 0.753 20 30 BCEDRO O=C(C#CC1CC1)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000876786255 590240933 /nfs/dbraw/zinc/24/09/33/590240933.db2.gz FRXVRAVLAKLIIO-GFCCVEGCSA-N 1 0 218.300 0.753 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000876788633 590240986 /nfs/dbraw/zinc/24/09/86/590240986.db2.gz PVJMMZJRDUFFJB-GUBZILKMSA-N 1 0 245.754 0.652 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC[NH2+]CCC ZINC000876789509 590241578 /nfs/dbraw/zinc/24/15/78/590241578.db2.gz CMKNLEXHVJCOLS-SECBINFHSA-N 1 0 233.743 0.572 20 30 BCEDRO CCOC1CC(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)C1 ZINC000876801555 590243039 /nfs/dbraw/zinc/24/30/39/590243039.db2.gz FIWLVHFUEWOQBZ-VGRIYTJTSA-N 1 0 237.303 0.029 20 30 BCEDRO CCOC1CC(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000876801554 590243293 /nfs/dbraw/zinc/24/32/93/590243293.db2.gz FIWLVHFUEWOQBZ-QONHTCSSSA-N 1 0 237.303 0.029 20 30 BCEDRO CCO[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)C(C)C ZINC000876801340 590243381 /nfs/dbraw/zinc/24/33/81/590243381.db2.gz BKQPRGVRIZGHEN-AXFHLTTASA-N 1 0 239.319 0.275 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(C(F)F)CCC1 ZINC000876802498 590243701 /nfs/dbraw/zinc/24/37/01/590243701.db2.gz PLYDULLYGABINQ-HTQZYQBOSA-N 1 0 243.257 0.650 20 30 BCEDRO CC/C=C(\F)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876802536 590243703 /nfs/dbraw/zinc/24/37/03/590243703.db2.gz QBTPXIGPKRMFGV-RVSWPMMESA-N 1 0 211.240 0.478 20 30 BCEDRO C=C(C)COCCNC(=[NH2+])N[C@@H](C)COC ZINC000126170353 590246089 /nfs/dbraw/zinc/24/60/89/590246089.db2.gz NHAQNNUVVPJORQ-JTQLQIEISA-N 1 0 229.324 0.518 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000876830914 590247349 /nfs/dbraw/zinc/24/73/49/590247349.db2.gz ALRCSZZWEIYLDK-BBBLOLIVSA-N 1 0 245.754 0.665 20 30 BCEDRO CC1(NC(=O)C#CC2CC2)CC[NH2+]CC1 ZINC000876835194 590247870 /nfs/dbraw/zinc/24/78/70/590247870.db2.gz ZARNJYNVPCCCKR-UHFFFAOYSA-N 1 0 206.289 0.658 20 30 BCEDRO C=CCN(C)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876844073 590248734 /nfs/dbraw/zinc/24/87/34/590248734.db2.gz YUDCRMJSXWXGKC-DTWKUNHWSA-N 1 0 200.257 0.578 20 30 BCEDRO C[C@@H]1CC[NH2+][C@H](C)[C@@H]1NC(=O)C#CC1CC1 ZINC000876847205 590248973 /nfs/dbraw/zinc/24/89/73/590248973.db2.gz ARPLDUGWYHYMGH-GIPNMCIBSA-N 1 0 220.316 0.903 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000876857950 590250045 /nfs/dbraw/zinc/25/00/45/590250045.db2.gz XMXNISGLPZMFMM-VXGBXAGGSA-N 1 0 218.300 0.610 20 30 BCEDRO [NH3+]CC[C@H](NC(=O)C#CC1CC1)C(F)F ZINC000876864539 590251010 /nfs/dbraw/zinc/25/10/10/590251010.db2.gz UDQVQLCZEODDJC-QMMMGPOBSA-N 1 0 216.231 0.499 20 30 BCEDRO C#CCCCCCC[NH2+]CCNS(C)(=O)=O ZINC000876877003 590252473 /nfs/dbraw/zinc/25/24/73/590252473.db2.gz YAIAHHXTNDXADZ-UHFFFAOYSA-N 1 0 246.376 0.709 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H](C)OC ZINC000876882361 590252693 /nfs/dbraw/zinc/25/26/93/590252693.db2.gz GZTMRPATRMUJPO-SFYZADRCSA-N 1 0 220.700 0.607 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)OC ZINC000876882362 590253117 /nfs/dbraw/zinc/25/31/17/590253117.db2.gz GZTMRPATRMUJPO-YUMQZZPRSA-N 1 0 220.700 0.607 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H](C)C(=O)OC ZINC000876885040 590253491 /nfs/dbraw/zinc/25/34/91/590253491.db2.gz SRTADUDJCBJNQN-JGVFFNPUSA-N 1 0 248.710 0.476 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCOC(C)C ZINC000876884072 590253648 /nfs/dbraw/zinc/25/36/48/590253648.db2.gz IBACVGVQXAAHLQ-SECBINFHSA-N 1 0 234.727 0.998 20 30 BCEDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)C#CC1CC1 ZINC000876916191 590256965 /nfs/dbraw/zinc/25/69/65/590256965.db2.gz NLZWNVWRZQOOEP-SNVBAGLBSA-N 1 0 208.305 0.889 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000876925232 590257802 /nfs/dbraw/zinc/25/78/02/590257802.db2.gz XQSOVOLNILJGOD-CYBMUJFWSA-N 1 0 218.300 0.754 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876932885 590258561 /nfs/dbraw/zinc/25/85/61/590258561.db2.gz YROUNOISJHZODX-UKKRHICBSA-N 1 0 239.294 0.742 20 30 BCEDRO C#CCNC(=O)[C@@](C)([NH3+])c1cccc([N+](=O)[O-])c1 ZINC000876942689 590259599 /nfs/dbraw/zinc/25/95/99/590259599.db2.gz BPZRFRSALIHEFT-LBPRGKRZSA-N 1 0 247.254 0.518 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CCN1C(=O)C#CC1CC1 ZINC000876952423 590260520 /nfs/dbraw/zinc/26/05/20/590260520.db2.gz OVPZKQRDNPLEGX-MWLCHTKSSA-N 1 0 206.289 0.738 20 30 BCEDRO O=C(C#CC1CC1)NCCC1CC[NH2+]CC1 ZINC000876951016 590260542 /nfs/dbraw/zinc/26/05/42/590260542.db2.gz YYWKGOXPNZYWIA-UHFFFAOYSA-N 1 0 220.316 0.906 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CO)C1CCC1 ZINC000876959250 590261482 /nfs/dbraw/zinc/26/14/82/590261482.db2.gz QVTCHAPKRJJZDV-VHSXEESVSA-N 1 0 246.738 0.734 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H]2C[C@@H]2C1 ZINC000876994175 590262745 /nfs/dbraw/zinc/26/27/45/590262745.db2.gz BYAQEFHQDGVUPN-YIZRAAEISA-N 1 0 214.696 0.935 20 30 BCEDRO [NH3+][C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1F ZINC000876978099 590263819 /nfs/dbraw/zinc/26/38/19/590263819.db2.gz GDNBWEHVNRFCCI-NXEZZACHSA-N 1 0 210.252 0.298 20 30 BCEDRO [NH3+][C@@]12CCC[C@H]1CN(C(=O)C#CC1CC1)C2 ZINC000876984032 590264736 /nfs/dbraw/zinc/26/47/36/590264736.db2.gz CWHAELBYOFBUDZ-WCQYABFASA-N 1 0 218.300 0.740 20 30 BCEDRO [NH3+][C@]12CCC[C@@H]1CN(C(=O)C#CC1CC1)C2 ZINC000876984033 590264778 /nfs/dbraw/zinc/26/47/78/590264778.db2.gz CWHAELBYOFBUDZ-YPMHNXCESA-N 1 0 218.300 0.740 20 30 BCEDRO CCNS(=O)(=O)CC[NH2+]C[C@@H](C)CCC#N ZINC000877007744 590268612 /nfs/dbraw/zinc/26/86/12/590268612.db2.gz CXQKYPXIGQEHKZ-JTQLQIEISA-N 1 0 247.364 0.455 20 30 BCEDRO CN1CC[C@@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877019327 590269172 /nfs/dbraw/zinc/26/91/72/590269172.db2.gz JVRDHCKIHCWPGM-GFCCVEGCSA-N 1 0 216.288 0.747 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000877038314 590272612 /nfs/dbraw/zinc/27/26/12/590272612.db2.gz MDJWDUTUYYDDOC-SNVBAGLBSA-N 1 0 224.304 0.141 20 30 BCEDRO C[S@@](=O)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000877051702 590274776 /nfs/dbraw/zinc/27/47/76/590274776.db2.gz MMDDEKBBELHIRK-MRXNPFEDSA-N 1 0 237.328 0.811 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)C[C@H](C)[NH3+] ZINC000877100928 590279563 /nfs/dbraw/zinc/27/95/63/590279563.db2.gz YMESPRMPYAVBIN-VHSXEESVSA-N 1 0 214.309 0.773 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)CC1(C#N)CCOCC1 ZINC000877105800 590284871 /nfs/dbraw/zinc/28/48/71/590284871.db2.gz NLLZDRAZDSARLL-JTQLQIEISA-N 1 0 239.319 0.502 20 30 BCEDRO C=C(Cl)C[C@H](NC(=O)C[NH2+]C)C(=O)OCC ZINC000877144412 590291681 /nfs/dbraw/zinc/29/16/81/590291681.db2.gz MBDHTVPKYUBBEQ-QMMMGPOBSA-N 1 0 248.710 0.396 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)CO[C@H]1CCC[NH2+]C1 ZINC000877145894 590292069 /nfs/dbraw/zinc/29/20/69/590292069.db2.gz RIYKSOAPFXDODI-QWRGUYRKSA-N 1 0 239.319 0.516 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)C#CC(C)(C)C ZINC000877171343 590296036 /nfs/dbraw/zinc/29/60/36/590296036.db2.gz FCYSAPLTYQIHIN-NXEZZACHSA-N 1 0 208.305 0.984 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2C[C@@H]([NH3+])C2)CCCC1 ZINC000877242597 590302856 /nfs/dbraw/zinc/30/28/56/590302856.db2.gz UFCJWIKKEROZKJ-AOOOYVTPSA-N 1 0 221.304 0.924 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@H](NC(=O)C[NH3+])C2 ZINC000877265701 590305174 /nfs/dbraw/zinc/30/51/74/590305174.db2.gz HZZLTXHMJBMRDI-LLVKDONJSA-N 1 0 215.256 0.100 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)C[NH3+])C2 ZINC000877265704 590305246 /nfs/dbraw/zinc/30/52/46/590305246.db2.gz HZZLTXHMJBMRDI-NSHDSACASA-N 1 0 215.256 0.100 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000877280586 590306343 /nfs/dbraw/zinc/30/63/43/590306343.db2.gz HVUBKRCQLUDXNQ-WDEREUQCSA-N 1 0 224.304 0.542 20 30 BCEDRO C#CC[C@H](N[C@@H]1CC[N@H+](C)[C@@H](C)C1)C(=O)OC ZINC000877583783 590366757 /nfs/dbraw/zinc/36/67/57/590366757.db2.gz UITXTRCHBKTRPL-TUAOUCFPSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CCCCCCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000877651218 590385491 /nfs/dbraw/zinc/38/54/91/590385491.db2.gz SVHSDWOJHRVKFS-RYUDHWBXSA-N 1 0 211.305 0.608 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+][C@@H](C)Cn1cncn1 ZINC000877659967 590386473 /nfs/dbraw/zinc/38/64/73/590386473.db2.gz BZMHBVVDNFRCKK-RYUDHWBXSA-N 1 0 236.319 0.685 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000877719761 590400706 /nfs/dbraw/zinc/40/07/06/590400706.db2.gz HIDLWOHIXNQOBO-MXWKQRLJSA-N 1 0 249.314 0.473 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000877748896 590412755 /nfs/dbraw/zinc/41/27/55/590412755.db2.gz DMZHZWUMNSDDDV-MXWKQRLJSA-N 1 0 212.293 0.354 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@H]2C[C@H](O)C2)n1 ZINC000877810924 590426621 /nfs/dbraw/zinc/42/66/21/590426621.db2.gz AXOKZARIRKHQRE-OTCDBFHCSA-N 1 0 217.272 0.814 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+]([C@H](C)CC=C)CC1 ZINC000878048834 590481067 /nfs/dbraw/zinc/48/10/67/590481067.db2.gz DSKNOHRVMLJUBX-CYBMUJFWSA-N 1 0 249.358 0.318 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCN(C[C@H](C)O)CC1 ZINC000878047223 590481484 /nfs/dbraw/zinc/48/14/84/590481484.db2.gz CSSDMCVLFBBMKN-NEPJUHHUSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CC1CC[NH+](CCn2cnnn2)CC1 ZINC000878093549 590491522 /nfs/dbraw/zinc/49/15/22/590491522.db2.gz KCTFQSVPRGEUJW-UHFFFAOYSA-N 1 0 207.281 0.571 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+](C)C[C@@H](C)C(=O)NC ZINC000878161780 590510817 /nfs/dbraw/zinc/51/08/17/590510817.db2.gz CBUPPBAOEGWLSG-ZJUUUORDSA-N 1 0 242.319 0.418 20 30 BCEDRO C#CCN(CC)CC(=O)NC1CC[NH+](C)CC1 ZINC000878166769 590513960 /nfs/dbraw/zinc/51/39/60/590513960.db2.gz FKEYXCXTIJMYRD-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@H](S(=O)(=O)NC)C1 ZINC000878250482 590529608 /nfs/dbraw/zinc/52/96/08/590529608.db2.gz ZZKSQSCYXXZHNE-MNOVXSKESA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@@H](C)[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000878264037 590531888 /nfs/dbraw/zinc/53/18/88/590531888.db2.gz AGVSLWJZUYCTHO-GHMZBOCLSA-N 1 0 246.376 0.965 20 30 BCEDRO C#CCCCCC[NH+]1CCN(C(=O)CO)CC1 ZINC000878305292 590538247 /nfs/dbraw/zinc/53/82/47/590538247.db2.gz WJSDEQWLHSTBRA-UHFFFAOYSA-N 1 0 238.331 0.317 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000878500315 590580481 /nfs/dbraw/zinc/58/04/81/590580481.db2.gz DRPNAUJQYWMCKY-NWDGAFQWSA-N 1 0 211.305 0.463 20 30 BCEDRO C#CC[N@@H+](C)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000878500317 590580548 /nfs/dbraw/zinc/58/05/48/590580548.db2.gz DRPNAUJQYWMCKY-VXGBXAGGSA-N 1 0 211.305 0.463 20 30 BCEDRO C#CCCCCC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000878498879 590580637 /nfs/dbraw/zinc/58/06/37/590580637.db2.gz RFNCEXMNSAOQMB-QWHCGFSZSA-N 1 0 225.332 0.855 20 30 BCEDRO C#CC[N@H+](C)CCc1ccc(C(N)=O)cc1 ZINC000878500313 590580710 /nfs/dbraw/zinc/58/07/10/590580710.db2.gz DPGAVAXCECEFID-UHFFFAOYSA-N 1 0 216.284 0.893 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)CC1(O)CCCC1 ZINC000878517747 590585331 /nfs/dbraw/zinc/58/53/31/590585331.db2.gz WJMGXKXCJNGDDM-RYUDHWBXSA-N 1 0 225.332 0.996 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000878518029 590585572 /nfs/dbraw/zinc/58/55/72/590585572.db2.gz YYYJXSAXBRHNQD-DRZSPHRISA-N 1 0 225.332 0.852 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@@H](O)CC1(O)CCOCC1 ZINC000878516948 590585683 /nfs/dbraw/zinc/58/56/83/590585683.db2.gz LXQYDOXAVRVTLG-NEPJUHHUSA-N 1 0 241.331 0.232 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000878532174 590587097 /nfs/dbraw/zinc/58/70/97/590587097.db2.gz QATLYPYCVUKLDV-VHSXEESVSA-N 1 0 227.304 0.807 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000878529968 590587270 /nfs/dbraw/zinc/58/72/70/590587270.db2.gz OFRSCFWYZWAJTR-CABZTGNLSA-N 1 0 237.303 0.625 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000878622049 590597237 /nfs/dbraw/zinc/59/72/37/590597237.db2.gz RGNYWHDEEMJKAK-UWVGGRQHSA-N 1 0 240.303 0.301 20 30 BCEDRO C#CCCCCC[N@H+]1CCOC[C@@H]1CC(N)=O ZINC000878692935 590610432 /nfs/dbraw/zinc/61/04/32/590610432.db2.gz HINAACAXTZIGBB-LBPRGKRZSA-N 1 0 238.331 0.756 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCc1nnnn1C ZINC000878698089 590610946 /nfs/dbraw/zinc/61/09/46/590610946.db2.gz AOCFOXUHRLYSSD-QMMMGPOBSA-N 1 0 208.269 0.034 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CCc2nnnn2C)C1 ZINC000878761647 590619484 /nfs/dbraw/zinc/61/94/84/590619484.db2.gz QMAAHYXVPXGTLM-LLVKDONJSA-N 1 0 233.319 0.488 20 30 BCEDRO C[C@@H](CC#N)NC[C@](O)(C(N)=O)c1ccccc1 ZINC000878821500 590627684 /nfs/dbraw/zinc/62/76/84/590627684.db2.gz ZPCUSJSOTGEXFC-GXFFZTMASA-N 1 0 247.298 0.251 20 30 BCEDRO C#CC[NH2+][C@H]([C@H]1CCCO1)C1(CO)CCC1 ZINC000878873384 590636794 /nfs/dbraw/zinc/63/67/94/590636794.db2.gz KJORTPIZXDCTLB-VXGBXAGGSA-N 1 0 223.316 0.919 20 30 BCEDRO C#CC[N@@H+](CCC(=O)N(C)OC)C1CSC1 ZINC000878910572 590647589 /nfs/dbraw/zinc/64/75/89/590647589.db2.gz XQIBAPXMPHFBHT-UHFFFAOYSA-N 1 0 242.344 0.447 20 30 BCEDRO C#CC[N@@H+](CCCC(=O)N(C)C)C1CSC1 ZINC000878910109 590647611 /nfs/dbraw/zinc/64/76/11/590647611.db2.gz NXWYOZAVEKARMO-UHFFFAOYSA-N 1 0 240.372 0.905 20 30 BCEDRO C#CCCCCC[NH2+]C1(C(N)=O)CCOCC1 ZINC000878934433 590654603 /nfs/dbraw/zinc/65/46/03/590654603.db2.gz KYZITGLLVRUZNS-UHFFFAOYSA-N 1 0 238.331 0.804 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000878945839 590657718 /nfs/dbraw/zinc/65/77/18/590657718.db2.gz QXDYAEJYGVFXMD-VIFPVBQESA-N 1 0 220.276 0.855 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000878946974 590657938 /nfs/dbraw/zinc/65/79/38/590657938.db2.gz HTMMKHHAHCTTBM-QMMMGPOBSA-N 1 0 206.249 0.464 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000878994934 590672110 /nfs/dbraw/zinc/67/21/10/590672110.db2.gz FUMMSYVJNRHJMQ-VXGBXAGGSA-N 1 0 243.347 0.569 20 30 BCEDRO COCC#CC[NH+]1CCC([C@H](F)C(N)=O)CC1 ZINC000879041298 590684584 /nfs/dbraw/zinc/68/45/84/590684584.db2.gz DBRAMDCKDBSNGX-NSHDSACASA-N 1 0 242.294 0.172 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879156095 590705447 /nfs/dbraw/zinc/70/54/47/590705447.db2.gz MWIWNOKIQMHNCC-TVYUQYBPSA-N 1 0 236.315 0.936 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000879261285 590724458 /nfs/dbraw/zinc/72/44/58/590724458.db2.gz HUVZZRUANPGQFV-NEPJUHHUSA-N 1 0 227.304 0.108 20 30 BCEDRO C#CCCC[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000879261223 590724645 /nfs/dbraw/zinc/72/46/45/590724645.db2.gz GWVGSFOIAWMZQI-RYUDHWBXSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@H]1CCC[C@@H]1C#N ZINC000879308809 590735943 /nfs/dbraw/zinc/73/59/43/590735943.db2.gz IAZGWTDUHPQNBZ-NEPJUHHUSA-N 1 0 233.315 0.750 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@](O)(CC)C1 ZINC000879313932 590736396 /nfs/dbraw/zinc/73/63/96/590736396.db2.gz RKOANCKEAXGTGJ-CYBMUJFWSA-N 1 0 238.331 0.363 20 30 BCEDRO C=CC[C@H](C)[N@H+](C)CC(=O)N1CCN(C)CC1 ZINC000879356820 590751622 /nfs/dbraw/zinc/75/16/22/590751622.db2.gz QLXDOCMXECRITE-LBPRGKRZSA-N 1 0 239.363 0.657 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(C)(F)CC1 ZINC000879381331 590758108 /nfs/dbraw/zinc/75/81/08/590758108.db2.gz ZHRYVUSIGBJUBO-JTQLQIEISA-N 1 0 226.295 0.948 20 30 BCEDRO CC#CC[N@H+](CC1CC1)[C@H](C(N)=O)C1CC1 ZINC000879486996 590781142 /nfs/dbraw/zinc/78/11/42/590781142.db2.gz SRQUVSYBCZKUGN-LBPRGKRZSA-N 1 0 220.316 0.986 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879533448 590795244 /nfs/dbraw/zinc/79/52/44/590795244.db2.gz FEXHUFDRXHFRFI-GARJFASQSA-N 1 0 234.299 0.335 20 30 BCEDRO Cc1cc(C#N)ccc1C[N@@H+]1CC[C@@H](O)[C@@H](O)C1 ZINC000879610930 590829665 /nfs/dbraw/zinc/82/96/65/590829665.db2.gz WOPQZPVDEYNONO-KGLIPLIRSA-N 1 0 246.310 0.794 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)c2coc(C#N)c2)C1 ZINC000879872908 590886307 /nfs/dbraw/zinc/88/63/07/590886307.db2.gz QFOPCAXRYBGMIN-UHFFFAOYSA-N 1 0 233.271 0.974 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(C(=O)NOC)CC1 ZINC000879924836 590890801 /nfs/dbraw/zinc/89/08/01/590890801.db2.gz VNJZPIJAUMDQJO-LLVKDONJSA-N 1 0 242.319 0.313 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCC(CO)(CO)CC1 ZINC000879969878 590900879 /nfs/dbraw/zinc/90/08/79/590900879.db2.gz QQMHVKSKFQAGTA-LBPRGKRZSA-N 1 0 243.347 0.380 20 30 BCEDRO CC[C@@H](C#N)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000879992738 590904825 /nfs/dbraw/zinc/90/48/25/590904825.db2.gz SHLUOJXTULTXRB-QWRGUYRKSA-N 1 0 239.319 0.109 20 30 BCEDRO CC#CC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880169395 590949301 /nfs/dbraw/zinc/94/93/01/590949301.db2.gz UAMIWHJIIDLZGT-UHFFFAOYSA-N 1 0 206.289 0.754 20 30 BCEDRO C#CCN1CCN(C(=O)c2ccncc2)CC1 ZINC000128283642 590962012 /nfs/dbraw/zinc/96/20/12/590962012.db2.gz CIRCWJBXBKQTSI-UHFFFAOYSA-N 1 0 229.283 0.473 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](CF)C1 ZINC000880289352 590984232 /nfs/dbraw/zinc/98/42/32/590984232.db2.gz LGLFUZVULHPFEL-SECBINFHSA-N 1 0 243.282 0.290 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CF)C1 ZINC000880291801 590985337 /nfs/dbraw/zinc/98/53/37/590985337.db2.gz JFLXNOFXWKITHP-ZJUUUORDSA-N 1 0 214.284 0.969 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311647 590999854 /nfs/dbraw/zinc/99/98/54/590999854.db2.gz KPLJJTQGFRCWRR-XQQFMLRXSA-N 1 0 238.331 0.334 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880312537 591001739 /nfs/dbraw/zinc/00/17/39/591001739.db2.gz PXAJKCBQNIHVQJ-BETUJISGSA-N 1 0 238.331 0.599 20 30 BCEDRO C=CCC[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880392342 591019442 /nfs/dbraw/zinc/01/94/42/591019442.db2.gz DRJYKRIBMQHHIA-UHFFFAOYSA-N 1 0 212.293 0.529 20 30 BCEDRO C=C(C)CN1CCC(=O)NCC12COC2 ZINC000880398026 591021206 /nfs/dbraw/zinc/02/12/06/591021206.db2.gz VQPQOLGUMBFKCW-UHFFFAOYSA-N 1 0 210.277 0.153 20 30 BCEDRO CO[C@@H]1COCC[C@H]1[N@H+](C)CCO[C@H](C)C#N ZINC000880437682 591041006 /nfs/dbraw/zinc/04/10/06/591041006.db2.gz PPNOEHPZOMPYAJ-IJLUTSLNSA-N 1 0 242.319 0.651 20 30 BCEDRO C#CCC1(O)CC[NH+](CCC2OCCO2)CC1 ZINC000880481214 591055875 /nfs/dbraw/zinc/05/58/75/591055875.db2.gz OQQXDZGEHFKYGN-UHFFFAOYSA-N 1 0 239.315 0.600 20 30 BCEDRO C#CCOCC[NH+]1CCC(O)(CC#C)CC1 ZINC000880482469 591056179 /nfs/dbraw/zinc/05/61/79/591056179.db2.gz JUSLGFWZPJEVDG-UHFFFAOYSA-N 1 0 221.300 0.486 20 30 BCEDRO C#CCC1(O)CC[NH+](CCC(OC)OC)CC1 ZINC000880482545 591056299 /nfs/dbraw/zinc/05/62/99/591056299.db2.gz MKZBERMILOHHBF-UHFFFAOYSA-N 1 0 241.331 0.846 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880566940 591095641 /nfs/dbraw/zinc/09/56/41/591095641.db2.gz UIBJQVUGSZZWBD-NSHDSACASA-N 1 0 211.261 0.010 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@]12CCCO2 ZINC000880509940 591082979 /nfs/dbraw/zinc/08/29/79/591082979.db2.gz BHWQKAVKEOIHPE-YPMHNXCESA-N 1 0 236.315 0.427 20 30 BCEDRO C#CCOCC[NH+]1CCC2(CC1)COCCO2 ZINC000880549543 591089013 /nfs/dbraw/zinc/08/90/13/591089013.db2.gz ZACDQYYLZIZWND-UHFFFAOYSA-N 1 0 239.315 0.518 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880564391 591093336 /nfs/dbraw/zinc/09/33/36/591093336.db2.gz LNWWQVLSGPQSFC-ZYHUDNBSSA-N 1 0 225.288 0.398 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC000880611066 591110628 /nfs/dbraw/zinc/11/06/28/591110628.db2.gz IIUKFFVHAPELFR-LOWVWBTDSA-N 1 0 240.347 0.865 20 30 BCEDRO CON=CC(=O)N1CC[N@H+](C)[C@H](C(C)(C)C)C1 ZINC000880613294 591111309 /nfs/dbraw/zinc/11/13/09/591111309.db2.gz SKLFOLVHHHHQJT-JTQLQIEISA-N 1 0 241.335 0.807 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H]2O[C@H]1[C@H]1C[C@H]12 ZINC000888843741 591148332 /nfs/dbraw/zinc/14/83/32/591148332.db2.gz KJJQCGOABHGXMS-LVEVGFFFSA-N 1 0 236.315 0.396 20 30 BCEDRO C=CCNC(=O)[C@H](C)n1cc([C@H](C)[NH3+])nn1 ZINC000881109650 591164911 /nfs/dbraw/zinc/16/49/11/591164911.db2.gz UMKBCFMUECDIJC-YUMQZZPRSA-N 1 0 223.280 0.161 20 30 BCEDRO C[NH2+]C(C)(C)c1cn(CCO[C@@H](C)C#N)nn1 ZINC000881323190 591190246 /nfs/dbraw/zinc/19/02/46/591190246.db2.gz CRJIMICBHKRIAY-VIFPVBQESA-N 1 0 237.307 0.661 20 30 BCEDRO C=CCN1CC[C@@H](n2cc([C@H](C)[NH3+])nn2)C1=O ZINC000881337106 591194166 /nfs/dbraw/zinc/19/41/66/591194166.db2.gz ZIXWHTWXHBIACP-WCBMZHEXSA-N 1 0 235.291 0.257 20 30 BCEDRO C=C(Cl)Cn1cc(C[C@H]([NH3+])CCOC)nn1 ZINC000881426485 591203110 /nfs/dbraw/zinc/20/31/10/591203110.db2.gz IYFSFVDFGFNPBT-SECBINFHSA-N 1 0 244.726 0.937 20 30 BCEDRO C#CC(C)(C)NS(=O)(=O)CCC[NH+](C)C ZINC000881889214 591276394 /nfs/dbraw/zinc/27/63/94/591276394.db2.gz VHUXVJQDEHIYIY-UHFFFAOYSA-N 1 0 232.349 0.269 20 30 BCEDRO C#CC1(F)CN(C(=O)[C@@H](C(C)C)[NH+](C)C)C1 ZINC000881939918 591281158 /nfs/dbraw/zinc/28/11/58/591281158.db2.gz QSHUFJGPUJFDCC-SNVBAGLBSA-N 1 0 226.295 0.756 20 30 BCEDRO C#CC1(F)CN(C(=O)[C@H](C(C)C)[NH+](C)C)C1 ZINC000881942266 591281537 /nfs/dbraw/zinc/28/15/37/591281537.db2.gz QSHUFJGPUJFDCC-JTQLQIEISA-N 1 0 226.295 0.756 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ncc(C=O)cn1 ZINC000882402723 591343229 /nfs/dbraw/zinc/34/32/29/591343229.db2.gz SPNNJGKSRATDAG-UHFFFAOYSA-N 1 0 232.287 0.656 20 30 BCEDRO C=CCOCC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882486724 591363587 /nfs/dbraw/zinc/36/35/87/591363587.db2.gz NZPMVIIVUNQPGA-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccnc(C#N)c1 ZINC000882491515 591368416 /nfs/dbraw/zinc/36/84/16/591368416.db2.gz GXLRFOAKNVISSE-LBPRGKRZSA-N 1 0 244.298 0.777 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000882490862 591370551 /nfs/dbraw/zinc/37/05/51/591370551.db2.gz XZNOSHPGJINCIR-LLVKDONJSA-N 1 0 232.287 0.710 20 30 BCEDRO C#Cc1cncc(C(=O)NC[C@H]2CC[N@H+]2CC)c1 ZINC000882493246 591373375 /nfs/dbraw/zinc/37/33/75/591373375.db2.gz WYPUMFKLBRSUDN-CYBMUJFWSA-N 1 0 243.310 0.887 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882494345 591374280 /nfs/dbraw/zinc/37/42/80/591374280.db2.gz PSBJUEOOMPMPMR-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)CCCC#N ZINC000882493762 591375815 /nfs/dbraw/zinc/37/58/15/591375815.db2.gz LLEKMFSZMAYZRH-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)CC1(C#N)CC1 ZINC000882493989 591376466 /nfs/dbraw/zinc/37/64/66/591376466.db2.gz MJTNGKOSXJJVCC-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCC1(O)CCN(C(=O)[C@H](C)[NH+](C)C)CC1 ZINC000882531473 591382937 /nfs/dbraw/zinc/38/29/37/591382937.db2.gz VDZMHJVJSRPUSG-NSHDSACASA-N 1 0 238.331 0.313 20 30 BCEDRO Cc1ccc(NCC[N@@H+]2CC[C@@H](O)C2)c(C#N)n1 ZINC000882662929 591408229 /nfs/dbraw/zinc/40/82/29/591408229.db2.gz OVAYGVDVOQUOEC-LLVKDONJSA-N 1 0 246.314 0.740 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[C@@H]([NH3+])C1CC1 ZINC000129876523 591414368 /nfs/dbraw/zinc/41/43/68/591414368.db2.gz QOEJHIPDBPMTLX-WCBMZHEXSA-N 1 0 209.293 0.874 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000882894640 591466355 /nfs/dbraw/zinc/46/63/55/591466355.db2.gz UWLOFMXAVCHVOI-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000882894809 591468011 /nfs/dbraw/zinc/46/80/11/591468011.db2.gz YJCMXUMKXYIFMI-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000882894643 591468238 /nfs/dbraw/zinc/46/82/38/591468238.db2.gz UWLOFMXAVCHVOI-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000882900571 591470883 /nfs/dbraw/zinc/47/08/83/591470883.db2.gz NWMQUKNHCBLHQC-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000882903063 591471491 /nfs/dbraw/zinc/47/14/91/591471491.db2.gz VDNXZFGPYFKDMS-GRYCIOLGSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)[C@H](C)[NH+](C)C ZINC000882903455 591471521 /nfs/dbraw/zinc/47/15/21/591471521.db2.gz CRDPWZWRAPZASA-UWVGGRQHSA-N 1 0 214.309 0.380 20 30 BCEDRO CS[C@@H](C)CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000130531897 591479836 /nfs/dbraw/zinc/47/98/36/591479836.db2.gz QTNPLHJBOZKYFD-IUCAKERBSA-N 1 0 231.365 0.821 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](C)c1c(C)noc1C ZINC000130536660 591480523 /nfs/dbraw/zinc/48/05/23/591480523.db2.gz NFGZPWCDHXUYIC-ZCFIWIBFSA-N 1 0 210.281 0.929 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H](C)SC ZINC000130705749 591502908 /nfs/dbraw/zinc/50/29/08/591502908.db2.gz DOJXEMGFUCYBQU-YUMQZZPRSA-N 1 0 219.354 0.677 20 30 BCEDRO CS[C@@H](C)CNC(=[NH2+])N1CCOCC1 ZINC000130712499 591503350 /nfs/dbraw/zinc/50/33/50/591503350.db2.gz XPRRDFMSKBSCEU-QMMMGPOBSA-N 1 0 217.338 0.385 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H](C)SC ZINC000130706379 591503633 /nfs/dbraw/zinc/50/36/33/591503633.db2.gz DOJXEMGFUCYBQU-HTQZYQBOSA-N 1 0 219.354 0.677 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc(C2CC2)nc1 ZINC000883125377 591544308 /nfs/dbraw/zinc/54/43/08/591544308.db2.gz HEIPRTZPFUYUSG-LBPRGKRZSA-N 1 0 231.299 0.828 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnn2c1CCC2 ZINC000883125910 591544603 /nfs/dbraw/zinc/54/46/03/591544603.db2.gz YTHCAAMIXITJMF-NSHDSACASA-N 1 0 219.288 0.303 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000883125259 591544611 /nfs/dbraw/zinc/54/46/11/591544611.db2.gz DEVFYAVQVDABLA-SNVBAGLBSA-N 1 0 245.282 0.742 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1[nH]ncc1C ZINC000883156945 591555939 /nfs/dbraw/zinc/55/59/39/591555939.db2.gz GZGHKVDDZUHAOQ-SNVBAGLBSA-N 1 0 207.277 0.582 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000883156665 591556285 /nfs/dbraw/zinc/55/62/85/591556285.db2.gz VRGAOPWJEGUWDC-KKOKHZNYSA-N 1 0 239.315 0.548 20 30 BCEDRO C#CCOCC[NH2+][C@H](COC)[C@@H]1CCCOC1 ZINC000883216888 591575442 /nfs/dbraw/zinc/57/54/42/591575442.db2.gz XPHFIAPRLYIOKC-CHWSQXEVSA-N 1 0 241.331 0.667 20 30 BCEDRO C#CC1(F)CN(C(=O)N[C@H](C)CC[NH+](C)C)C1 ZINC000883226257 591579192 /nfs/dbraw/zinc/57/91/92/591579192.db2.gz VBTFUOBMURTEOP-SNVBAGLBSA-N 1 0 241.310 0.693 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cnnn1C ZINC000883399990 591646120 /nfs/dbraw/zinc/64/61/20/591646120.db2.gz AXKFZDFMRXUYOE-VIFPVBQESA-N 1 0 210.281 0.232 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ccnn1C ZINC000883401582 591648913 /nfs/dbraw/zinc/64/89/13/591648913.db2.gz REJLZIYGKDCFSC-SNVBAGLBSA-N 1 0 209.293 0.837 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)Nc1cccc(CC#N)n1 ZINC000883587310 591695978 /nfs/dbraw/zinc/69/59/78/591695978.db2.gz FSCHDKGBPDMZEU-SECBINFHSA-N 1 0 247.302 0.877 20 30 BCEDRO C[C@H](C[NH3+])N(C)C(=O)Nc1cccc(CC#N)n1 ZINC000883587928 591696046 /nfs/dbraw/zinc/69/60/46/591696046.db2.gz WSRNBAPOTHOBDI-SECBINFHSA-N 1 0 247.302 0.959 20 30 BCEDRO C#CC1(F)CN(C(=O)N[C@@H](C)C[NH+](C)C)C1 ZINC000883697761 591722511 /nfs/dbraw/zinc/72/25/11/591722511.db2.gz OVBDINQCGKHOQW-VIFPVBQESA-N 1 0 227.283 0.303 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883896327 591765420 /nfs/dbraw/zinc/76/54/20/591765420.db2.gz NMFDPUAAXNNCKF-GHMZBOCLSA-N 1 0 241.335 0.317 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)NC(C)C)C1 ZINC000884006520 591794325 /nfs/dbraw/zinc/79/43/25/591794325.db2.gz UBPBFXJPUPJWDR-LLVKDONJSA-N 1 0 223.320 0.792 20 30 BCEDRO N#Cc1ccc(C(=O)N2CCC[C@H](C[NH3+])C2)[nH]1 ZINC000884016941 591800675 /nfs/dbraw/zinc/80/06/75/591800675.db2.gz IDQCMXGZZVRSDP-SECBINFHSA-N 1 0 232.287 0.697 20 30 BCEDRO N#Cc1ccc(C(=O)NCC[C@H]2CC[NH2+]C2)[nH]1 ZINC000884026756 591810097 /nfs/dbraw/zinc/81/00/97/591810097.db2.gz LGGAMNFKYCYCPT-SECBINFHSA-N 1 0 232.287 0.616 20 30 BCEDRO C[C@H](C[NH3+])N(C)C(=O)c1ccc(C#N)[nH]1 ZINC000884032541 591815965 /nfs/dbraw/zinc/81/59/65/591815965.db2.gz VEMCSOQXTZHPEZ-SSDOTTSWSA-N 1 0 206.249 0.306 20 30 BCEDRO CC(C)CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884046504 591825522 /nfs/dbraw/zinc/82/55/22/591825522.db2.gz HXAHHMMSXNIUEH-AKJDGMEZSA-N 1 0 235.331 0.898 20 30 BCEDRO CC(C)N(C)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884047339 591826141 /nfs/dbraw/zinc/82/61/41/591826141.db2.gz PEQYODGHXCXMOS-AKJDGMEZSA-N 1 0 235.331 0.993 20 30 BCEDRO C=CCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884046138 591826263 /nfs/dbraw/zinc/82/62/63/591826263.db2.gz UHARRVNMMSYPIL-YZRBJQDESA-N 1 0 219.288 0.428 20 30 BCEDRO CCCN(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884069866 591843953 /nfs/dbraw/zinc/84/39/53/591843953.db2.gz RFXNTFKCKQXDGS-QWKFWESOSA-N 1 0 235.331 0.994 20 30 BCEDRO CN(C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N)C1CC1 ZINC000884080359 591844816 /nfs/dbraw/zinc/84/48/16/591844816.db2.gz RWAWPYDCNZICEK-RUETXSTFSA-N 1 0 233.315 0.747 20 30 BCEDRO C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H]1C[C@H]1C ZINC000884082851 591846515 /nfs/dbraw/zinc/84/65/15/591846515.db2.gz WWKHRSGYDZTFPH-UTLUCORTSA-N 1 0 240.303 0.205 20 30 BCEDRO C[C@@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884102083 591849748 /nfs/dbraw/zinc/84/97/48/591849748.db2.gz QTISXBJVJBWHFK-KTEZZQQRSA-N 1 0 247.342 0.994 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@@H]([NH3+])C2CC2)[nH]1 ZINC000884242488 591878830 /nfs/dbraw/zinc/87/88/30/591878830.db2.gz YKGGUZAMNFNDGO-SECBINFHSA-N 1 0 218.260 0.353 20 30 BCEDRO C[C@H](CC[NH3+])NC(=O)c1ccc(C#N)[nH]1 ZINC000884244219 591880521 /nfs/dbraw/zinc/88/05/21/591880521.db2.gz AOXQPQFBMLLQRF-SSDOTTSWSA-N 1 0 206.249 0.353 20 30 BCEDRO C=CC(C)(C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000884250299 591884173 /nfs/dbraw/zinc/88/41/73/591884173.db2.gz BLFXMCVYPZINJL-VHSXEESVSA-N 1 0 221.304 0.816 20 30 BCEDRO N#Cc1ccc(C(=O)NCC2=CC[NH2+]CC2)[nH]1 ZINC000884253396 591885598 /nfs/dbraw/zinc/88/55/98/591885598.db2.gz IZSMFSVVXUHLDY-UHFFFAOYSA-N 1 0 230.271 0.536 20 30 BCEDRO N#Cc1ccc(C(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)[nH]1 ZINC000884267890 591887792 /nfs/dbraw/zinc/88/77/92/591887792.db2.gz PMXREBBPEVGVDN-PHIMTYICSA-N 1 0 244.298 0.853 20 30 BCEDRO C[C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[NH2+]1 ZINC000884274617 591889484 /nfs/dbraw/zinc/88/94/84/591889484.db2.gz QLVPGIPPWRAFGM-IUCAKERBSA-N 1 0 232.287 0.757 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)[nH]1 ZINC000884293489 591895489 /nfs/dbraw/zinc/89/54/89/591895489.db2.gz DNVVCEPOMRDZRS-KOLCDFICSA-N 1 0 244.298 0.710 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H](CC[NH3+])C(F)F)[nH]1 ZINC000884296725 591897218 /nfs/dbraw/zinc/89/72/18/591897218.db2.gz DJAZQWHNOCUHHJ-ZETCQYMHSA-N 1 0 242.229 0.599 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H]2CC[C@H](C[NH3+])C2)[nH]1 ZINC000884303253 591899830 /nfs/dbraw/zinc/89/98/30/591899830.db2.gz KGJPHZIXQQVYEI-IUCAKERBSA-N 1 0 232.287 0.744 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)N[C@@H]2C[C@H]2C)C1 ZINC000884330343 591904344 /nfs/dbraw/zinc/90/43/44/591904344.db2.gz LAYPDWAJAZWDPQ-IJLUTSLNSA-N 1 0 235.331 0.792 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000884353232 591910449 /nfs/dbraw/zinc/91/04/49/591910449.db2.gz WOOWOHOJENAPMD-ZJUUUORDSA-N 1 0 226.320 0.821 20 30 BCEDRO CC1(C)[C@H]([NH3+])C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884365195 591917205 /nfs/dbraw/zinc/91/72/05/591917205.db2.gz FJVSGNOWRGJFPQ-ZJUUUORDSA-N 1 0 232.287 0.742 20 30 BCEDRO C=CC(C)(C)CC(=O)NC[C@H]1COCC[NH2+]1 ZINC000884436551 591934345 /nfs/dbraw/zinc/93/43/45/591934345.db2.gz IHMKQANDEKITNQ-JTQLQIEISA-N 1 0 226.320 0.693 20 30 BCEDRO Cc1[nH]nc(C=NNC2=[NH+]C[C@@H](C)N2)c1C ZINC000884447940 591937201 /nfs/dbraw/zinc/93/72/01/591937201.db2.gz NNASGIOMGCCLEM-ZCFIWIBFSA-N 1 0 220.280 0.298 20 30 BCEDRO N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)[nH]1 ZINC000884457578 591940246 /nfs/dbraw/zinc/94/02/46/591940246.db2.gz GPFVTRCFJIVTRF-IUCAKERBSA-N 1 0 216.244 0.073 20 30 BCEDRO N#Cc1ccc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)[nH]1 ZINC000884458633 591940965 /nfs/dbraw/zinc/94/09/65/591940965.db2.gz KPNKQXPYHDHSOT-AOOOYVTPSA-N 1 0 230.271 0.463 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)c1ccc(C#N)[nH]1 ZINC000884458688 591941100 /nfs/dbraw/zinc/94/11/00/591941100.db2.gz LORFJKGUMCEHPO-JGVFFNPUSA-N 1 0 218.260 0.448 20 30 BCEDRO COCC[C@H]([NH3+])C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000884461985 591941756 /nfs/dbraw/zinc/94/17/56/591941756.db2.gz SKLGNNPFHHITAX-DCAQKATOSA-N 1 0 239.319 0.501 20 30 BCEDRO C=CC(C)(C)CCCNC(=O)C(=O)NCC[NH3+] ZINC000884673189 592009272 /nfs/dbraw/zinc/00/92/72/592009272.db2.gz PVUHGZVHUBZYFV-UHFFFAOYSA-N 1 0 241.335 0.170 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH+]2CCC(O)CC2)CCC1 ZINC000885946765 592112819 /nfs/dbraw/zinc/11/28/19/592112819.db2.gz PWHGTZWNQKABJT-GFCCVEGCSA-N 1 0 238.331 0.888 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@H+]2CCC[C@H]2CO)CCC1 ZINC000885988201 592122808 /nfs/dbraw/zinc/12/28/08/592122808.db2.gz GHEVSZZPMHWABF-NWDGAFQWSA-N 1 0 238.331 0.888 20 30 BCEDRO C[C@@H](O)C[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886021081 592133798 /nfs/dbraw/zinc/13/37/98/592133798.db2.gz OSHBJNJSTVSFMM-GHMZBOCLSA-N 1 0 226.320 0.744 20 30 BCEDRO C[N@H+](CCCO)C[C@@H](O)CC1(C#N)CCC1 ZINC000886188170 592172757 /nfs/dbraw/zinc/17/27/57/592172757.db2.gz MIVYNRJKZVCQDC-NSHDSACASA-N 1 0 226.320 0.745 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000886211611 592177237 /nfs/dbraw/zinc/17/72/37/592177237.db2.gz TVULWOZEPMAIFR-CQSZACIVSA-N 1 0 246.358 0.916 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cnnn2C)C1 ZINC000886211517 592177282 /nfs/dbraw/zinc/17/72/82/592177282.db2.gz QRKFLZJPAGYNDM-NSHDSACASA-N 1 0 233.319 0.002 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCO[C@H]2C)C1 ZINC000886211052 592177419 /nfs/dbraw/zinc/17/74/19/592177419.db2.gz IMUZFVKKCNPRFV-AVGNSLFASA-N 1 0 222.332 0.851 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C2CCN(C)CC2)C1 ZINC000886213556 592177832 /nfs/dbraw/zinc/17/78/32/592177832.db2.gz VWRORPTVBUAUTO-CQSZACIVSA-N 1 0 235.375 0.768 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccn(C)n2)C1 ZINC000886213738 592178009 /nfs/dbraw/zinc/17/80/09/592178009.db2.gz ZPCVJZASNLBREI-CYBMUJFWSA-N 1 0 232.331 0.607 20 30 BCEDRO C[C@@H]1[C@H](O)CC[N@@H+]1C[C@@H](O)CC1(C#N)CCC1 ZINC000886236307 592181919 /nfs/dbraw/zinc/18/19/19/592181919.db2.gz DOTDSCHJUUYPDT-GRYCIOLGSA-N 1 0 238.331 0.886 20 30 BCEDRO C[C@@H]1[C@H](O)CC[N@@H+]1C[C@H](O)CC1(C#N)CCC1 ZINC000886236308 592182049 /nfs/dbraw/zinc/18/20/49/592182049.db2.gz DOTDSCHJUUYPDT-IJLUTSLNSA-N 1 0 238.331 0.886 20 30 BCEDRO CC(C)(CCC#N)C[NH2+][C@@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886242816 592183952 /nfs/dbraw/zinc/18/39/52/592183952.db2.gz FKGYMYHFVZRMLT-RTCCRHLQSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)COCC)C1 ZINC000886358664 592215018 /nfs/dbraw/zinc/21/50/18/592215018.db2.gz ZEEPGDUEUAVIAS-NWDGAFQWSA-N 1 0 211.305 0.729 20 30 BCEDRO N#CC1(C[C@H](O)C[N@H+]2CC=C[C@@H]2CO)CCC1 ZINC000886317959 592207883 /nfs/dbraw/zinc/20/78/83/592207883.db2.gz FZZZOVTYIRTRGN-NEPJUHHUSA-N 1 0 236.315 0.664 20 30 BCEDRO N#CC1(C[C@H](O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)CCC1 ZINC000886318606 592207896 /nfs/dbraw/zinc/20/78/96/592207896.db2.gz XTPGOCPRJAKGAF-GVXVVHGQSA-N 1 0 236.315 0.498 20 30 BCEDRO C[C@H](C(=O)NC1(C#N)CCC1)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886346102 592212954 /nfs/dbraw/zinc/21/29/54/592212954.db2.gz AQLWALAVHJFLAW-MXWKQRLJSA-N 1 0 233.315 0.889 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H]3C[C@@H]3C2)C1=O ZINC000886347056 592213561 /nfs/dbraw/zinc/21/35/61/592213561.db2.gz XMYGZBOCZXJXGQ-AXFHLTTASA-N 1 0 206.289 0.725 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)C)C1 ZINC000886353143 592214906 /nfs/dbraw/zinc/21/49/06/592214906.db2.gz CJOKIPJCPHDOTO-GHMZBOCLSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CC(=O)NCCC)C1 ZINC000886353016 592214963 /nfs/dbraw/zinc/21/49/63/592214963.db2.gz ADJFXYXCPIWVFI-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000886356044 592215199 /nfs/dbraw/zinc/21/51/99/592215199.db2.gz SGNQVTAROFIDRC-GFCCVEGCSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)N(C)C)C1 ZINC000886353145 592215336 /nfs/dbraw/zinc/21/53/36/592215336.db2.gz CJOKIPJCPHDOTO-QWRGUYRKSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](CC#C)C1 ZINC000886353226 592215396 /nfs/dbraw/zinc/21/53/96/592215396.db2.gz DSLZKIKDESENSS-LLVKDONJSA-N 1 0 204.273 0.081 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)N(C)CC)C1 ZINC000886356119 592215895 /nfs/dbraw/zinc/21/58/95/592215895.db2.gz UGOSXNXPGIBCKL-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCC(=O)NCC)C1 ZINC000886355667 592216437 /nfs/dbraw/zinc/21/64/37/592216437.db2.gz LSQLRIZVWXWXRB-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+]([C@H]2CON(CC)C2=O)C1 ZINC000886364385 592217368 /nfs/dbraw/zinc/21/73/68/592217368.db2.gz YFVXUXFKUGLHKT-MNOVXSKESA-N 1 0 222.288 0.494 20 30 BCEDRO C#CC[C@H]1CCN(Cc2nncn2C)C1 ZINC000886362590 592217828 /nfs/dbraw/zinc/21/78/28/592217828.db2.gz FEPXXSFWQQQDBR-JTQLQIEISA-N 1 0 204.277 0.660 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000886363996 592218298 /nfs/dbraw/zinc/21/82/98/592218298.db2.gz LSZHIPZGDRDEEI-VXGBXAGGSA-N 1 0 241.356 0.766 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)CC(=O)OCC)C1 ZINC000886365126 592219405 /nfs/dbraw/zinc/21/94/05/592219405.db2.gz ALNRNCYBUOAGAL-NWDGAFQWSA-N 1 0 239.315 0.646 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@@H]2CCN(CC)C2=O)C1 ZINC000886365387 592219698 /nfs/dbraw/zinc/21/96/98/592219698.db2.gz HGXJJYAYVAPMOK-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCN(C(=O)C=NOC)C1CC[NH+](C)CC1 ZINC000886575951 592267776 /nfs/dbraw/zinc/26/77/76/592267776.db2.gz QDOZWWBZDWYKKR-UHFFFAOYSA-N 1 0 237.303 0.175 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000886580218 592268373 /nfs/dbraw/zinc/26/83/73/592268373.db2.gz ADKVCCYPFWGJCQ-VHSXEESVSA-N 1 0 240.303 0.220 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886631728 592283236 /nfs/dbraw/zinc/28/32/36/592283236.db2.gz VHRFDWGWDRFAML-CHWSQXEVSA-N 1 0 223.316 0.873 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CC[C@@H](C(=O)OC)C1 ZINC000886639899 592286224 /nfs/dbraw/zinc/28/62/24/592286224.db2.gz NNOWISGUPYPBEY-OPRDCNLKSA-N 1 0 213.277 0.465 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@@H](COC)[C@H]1CCCOC1 ZINC000886913545 592396002 /nfs/dbraw/zinc/39/60/02/592396002.db2.gz DVCACMSWYOLDEQ-AVGNSLFASA-N 1 0 243.347 0.955 20 30 BCEDRO C#CCC1([NH2+]CC[C@H](C)O)CCOCC1 ZINC000887120308 592445080 /nfs/dbraw/zinc/44/50/80/592445080.db2.gz BNWSAOYHEQIKHK-NSHDSACASA-N 1 0 211.305 0.919 20 30 BCEDRO C#CCC1([NH2+]C[C@H](C)CO)CCOCC1 ZINC000887123452 592445860 /nfs/dbraw/zinc/44/58/60/592445860.db2.gz POQBDQZNQXBVRI-NSHDSACASA-N 1 0 211.305 0.777 20 30 BCEDRO C#CCC1([NH2+]CC(OC)OC)CCOCC1 ZINC000887122311 592446392 /nfs/dbraw/zinc/44/63/92/592446392.db2.gz RWKAXVSMELXLAP-UHFFFAOYSA-N 1 0 227.304 0.767 20 30 BCEDRO C#CCC1([NH2+]CC(=O)N(C)CC)CCOCC1 ZINC000887124540 592447576 /nfs/dbraw/zinc/44/75/76/592447576.db2.gz IUIHNPOGORACDU-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CCCF ZINC000887137602 592451604 /nfs/dbraw/zinc/45/16/04/592451604.db2.gz NURAKDGDUYBFCH-SECBINFHSA-N 1 0 202.273 0.969 20 30 BCEDRO CNC(NC[C@H](O)C(F)(F)C(F)(F)F)=[NH+]C ZINC000887324082 592480941 /nfs/dbraw/zinc/48/09/41/592480941.db2.gz QOEUNPYBZLOTQR-BYPYZUCNSA-N 1 0 249.183 0.340 20 30 BCEDRO N#CCCCn1cc(CN2CCC[C@H]([NH3+])C2)nn1 ZINC000887413782 592503175 /nfs/dbraw/zinc/50/31/75/592503175.db2.gz VQIJMQZOWFTXAK-NSHDSACASA-N 1 0 248.334 0.505 20 30 BCEDRO C#C[C@@H]([NH2+]CCS(C)(=O)=O)C(C)C ZINC000300797634 592520369 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592589098 /nfs/dbraw/zinc/58/90/98/592589098.db2.gz SKOYGQHOEJEDJQ-NSHDSACASA-N 1 0 240.372 0.905 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](O)c1ccco1 ZINC000104168975 592602522 /nfs/dbraw/zinc/60/25/22/592602522.db2.gz FNMCFEWGGPKGCL-SECBINFHSA-N 1 0 223.276 0.793 20 30 BCEDRO C[C@H]1C[C@H]1NC(=[NH2+])NCCCN1CCOCC1 ZINC000104174140 592603486 /nfs/dbraw/zinc/60/34/86/592603486.db2.gz GQEQNASLCUKODR-WDEREUQCSA-N 1 0 240.351 0.021 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000890064087 592674426 /nfs/dbraw/zinc/67/44/26/592674426.db2.gz QFIUDIQAFLYGQD-MNOVXSKESA-N 1 0 223.320 0.744 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)N(C)C[C@@H](C)C#N ZINC000890073592 592676427 /nfs/dbraw/zinc/67/64/27/592676427.db2.gz QSQKCEHYSDFNOT-QWRGUYRKSA-N 1 0 238.335 0.882 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890068777 592676810 /nfs/dbraw/zinc/67/68/10/592676810.db2.gz FTOAHJHEUOABIE-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@H](C#N)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890076413 592677777 /nfs/dbraw/zinc/67/77/77/592677777.db2.gz WICPMOSVTNLVHF-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@@H]1C[C@@H](C)C[NH+](CC(=O)NCCC#N)C1 ZINC000198661934 634443250 /nfs/dbraw/zinc/44/32/50/634443250.db2.gz YUGTTYLWPKGLTP-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC[C@@H]([N@H+](C)CCO)C1 ZINC001027329901 634479851 /nfs/dbraw/zinc/47/98/51/634479851.db2.gz FDDHRAWWYGGZHB-GHMZBOCLSA-N 1 0 239.319 0.061 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(C)=O)C[C@@H]2C1 ZINC000979442550 635154242 /nfs/dbraw/zinc/15/42/42/635154242.db2.gz ILAPGFWCDYTGQT-XQQFMLRXSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC001027473543 634525785 /nfs/dbraw/zinc/52/57/85/634525785.db2.gz NRBFMLIRJPXZCX-JTQLQIEISA-N 1 0 249.318 0.527 20 30 BCEDRO C[N@H+](CCc1cccc(C#N)c1)C[C@H](O)CO ZINC000931508267 634527318 /nfs/dbraw/zinc/52/73/18/634527318.db2.gz JBHFLZHRGWJDPI-ZDUSSCGKSA-N 1 0 234.299 0.386 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)COC(C)=O ZINC000893566575 635165013 /nfs/dbraw/zinc/16/50/13/635165013.db2.gz FTBAYMGLXDHRAD-PSASIEDQSA-N 1 0 201.266 0.465 20 30 BCEDRO C=CC[N@@H+]1C[C@@H](NC(=O)c2nnc[nH]2)C(C)(C)C1 ZINC000977364067 634537641 /nfs/dbraw/zinc/53/76/41/634537641.db2.gz PCSBONJJFPVILZ-SECBINFHSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cocn3)[C@@H]2C1 ZINC000977914359 634569209 /nfs/dbraw/zinc/56/92/09/634569209.db2.gz YOTDJRLOHOOLSL-RTCCRHLQSA-N 1 0 245.282 0.215 20 30 BCEDRO C=C(CC)CNC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000909387764 634589406 /nfs/dbraw/zinc/58/94/06/634589406.db2.gz PMBPGPJRJBYEDZ-CMPLNLGQSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)C(F)F)C1 ZINC000980835961 635284843 /nfs/dbraw/zinc/28/48/43/635284843.db2.gz GTZMEUAWNNGSBE-RKDXNWHRSA-N 1 0 230.258 0.902 20 30 BCEDRO CCOCC(C)(C)CNC1=[NH+]C[C@H](C)N1 ZINC000261530538 635493799 /nfs/dbraw/zinc/49/37/99/635493799.db2.gz CQNIQJZDJROYNF-VIFPVBQESA-N 1 0 213.325 0.986 20 30 BCEDRO CC#CCN1CC[C@@H](NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001010383364 635482760 /nfs/dbraw/zinc/48/27/60/635482760.db2.gz VIMAJRGAKHGXIA-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCC1([NH2+]CC(=O)NC(=O)NCC)CCC1 ZINC000933301701 631216005 /nfs/dbraw/zinc/21/60/05/631216005.db2.gz JNHSJKWDYCKJID-UHFFFAOYSA-N 1 0 237.303 0.368 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC000971570418 631322893 /nfs/dbraw/zinc/32/28/93/631322893.db2.gz COYQRTRZTQDSAM-OBJOEFQTSA-N 1 0 248.326 0.189 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001022067326 631325730 /nfs/dbraw/zinc/32/57/30/631325730.db2.gz AZHLLSJDDIFTER-TXEJJXNPSA-N 1 0 248.330 0.385 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)[C@@H]1CCSC1 ZINC000308483763 631391671 /nfs/dbraw/zinc/39/16/71/631391671.db2.gz OGSPGNYYNFZGBD-RKDXNWHRSA-N 1 0 200.307 0.698 20 30 BCEDRO C#CCNC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000891569838 631393574 /nfs/dbraw/zinc/39/35/74/631393574.db2.gz XTLRAYWSZDXDKW-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C#CCNC(=O)N(C)CC(C)(C)C[NH+](C)C ZINC000891572360 631396564 /nfs/dbraw/zinc/39/65/64/631396564.db2.gz UCCYGPQHPKMKMP-UHFFFAOYSA-N 1 0 225.336 0.849 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2onc(C)c2C)C1 ZINC001022254921 631436957 /nfs/dbraw/zinc/43/69/57/631436957.db2.gz POGYNJOWAZAZIK-PHIMTYICSA-N 1 0 247.298 0.775 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+]C(C)(C)CN(C)C ZINC000308632517 631445581 /nfs/dbraw/zinc/44/55/81/631445581.db2.gz QKSSKTXBMAZVDH-JTQLQIEISA-N 1 0 213.325 0.845 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@H]1C[C@H]1C ZINC000308655270 631468135 /nfs/dbraw/zinc/46/81/35/631468135.db2.gz NSKQCPMPEBEPHQ-NXEZZACHSA-N 1 0 217.334 0.833 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1C[C@H]2[C@H]3C=C[C@H](C3)[C@@]2(C)C1 ZINC000933705132 631489892 /nfs/dbraw/zinc/48/98/92/631489892.db2.gz FPQPEAWFEVRDSB-SFDCQRBFSA-N 1 0 244.338 0.880 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000891904284 631551003 /nfs/dbraw/zinc/55/10/03/631551003.db2.gz JHYFYIKCWQPJLQ-AXFHLTTASA-N 1 0 223.320 0.681 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891938562 631567559 /nfs/dbraw/zinc/56/75/59/631567559.db2.gz SZTIATUNSXBJQI-MMWGEVLESA-N 1 0 239.319 0.461 20 30 BCEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001028319540 635650592 /nfs/dbraw/zinc/65/05/92/635650592.db2.gz JHKXLSKWFKLQLC-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001028319539 635651271 /nfs/dbraw/zinc/65/12/71/635651271.db2.gz JHKXLSKWFKLQLC-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001028422638 635668774 /nfs/dbraw/zinc/66/87/74/635668774.db2.gz CCZXQQSPGYJZDB-NSHDSACASA-N 1 0 246.314 0.485 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001028422466 635669330 /nfs/dbraw/zinc/66/93/30/635669330.db2.gz AMBLFCDQKVCEIQ-NSHDSACASA-N 1 0 246.314 0.485 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)c2cocn2)C1 ZINC001028433728 635670687 /nfs/dbraw/zinc/67/06/87/635670687.db2.gz HTXAPMWHOYAJFZ-SNVBAGLBSA-N 1 0 235.287 0.912 20 30 BCEDRO COC(=O)C[C@@H]([NH2+]C[C@H](O)CC#N)C(C)(C)C ZINC000934033482 631632806 /nfs/dbraw/zinc/63/28/06/631632806.db2.gz JRLVQNXRGVDQTQ-NXEZZACHSA-N 1 0 242.319 0.828 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@H]2CCOC2)C1 ZINC001028429025 635672131 /nfs/dbraw/zinc/67/21/31/635672131.db2.gz IEISUKVQXLMBKN-NEPJUHHUSA-N 1 0 238.331 0.647 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ccn(C)c2)C1 ZINC001028477222 635689897 /nfs/dbraw/zinc/68/98/97/635689897.db2.gz RLANFCQPCRXQLB-GFCCVEGCSA-N 1 0 245.326 0.710 20 30 BCEDRO COC[C@@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000308779814 631648474 /nfs/dbraw/zinc/64/84/74/631648474.db2.gz CFHMFZQDECCTQV-WDEREUQCSA-N 1 0 212.293 0.883 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC001022519322 631656943 /nfs/dbraw/zinc/65/69/43/631656943.db2.gz JXVJSWHZJUXBCI-AOOOYVTPSA-N 1 0 234.303 0.755 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](CO)C(=C)C)[C@@H]1CCCO1 ZINC000308816132 631665596 /nfs/dbraw/zinc/66/55/96/631665596.db2.gz AQHLXYBXRGAEFY-SRVKXCTJSA-N 1 0 209.289 0.694 20 30 BCEDRO C#CCOCC[N@@H+]1CCCCCNC(=O)CC1 ZINC000934153623 631710681 /nfs/dbraw/zinc/71/06/81/631710681.db2.gz IHFXVKADNLOQDL-UHFFFAOYSA-N 1 0 238.331 0.628 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@]2(F)CCOC2)C1 ZINC001022600388 631726349 /nfs/dbraw/zinc/72/63/49/631726349.db2.gz NFWWKNOBJVIPKK-JFGNBEQYSA-N 1 0 242.294 0.538 20 30 BCEDRO C=CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934254772 631749256 /nfs/dbraw/zinc/74/92/56/631749256.db2.gz ZKUHDZLNLNZWFG-NWDGAFQWSA-N 1 0 210.321 0.703 20 30 BCEDRO N#CCN1CC[C@@H]2[C@H]1CCC[N@H+]2CCO ZINC000934256207 631749312 /nfs/dbraw/zinc/74/93/12/631749312.db2.gz PYJXAVGKYDYHHQ-GHMZBOCLSA-N 1 0 209.293 0.041 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2n[nH]cc2F)C1 ZINC001022667533 631750086 /nfs/dbraw/zinc/75/00/86/631750086.db2.gz BARWUEJFGWBQDO-OCAPTIKFSA-N 1 0 236.250 0.032 20 30 BCEDRO CC#CCN1CC[C@H]2[C@H]1CCC[N@@H+]2CCO ZINC000934263079 631751945 /nfs/dbraw/zinc/75/19/45/631751945.db2.gz MXURYJHHCNXJPR-OLZOCXBDSA-N 1 0 222.332 0.541 20 30 BCEDRO C=CC[NH2+][C@]1(CC(=O)OC)CCCOC1 ZINC000308964519 631772478 /nfs/dbraw/zinc/77/24/78/631772478.db2.gz UMGQYYONCAQCHF-NSHDSACASA-N 1 0 213.277 0.874 20 30 BCEDRO C[C@@H]1CSCCC[N@@H+]1CC(=O)NCCC#N ZINC000934303161 631774467 /nfs/dbraw/zinc/77/44/67/631774467.db2.gz KYMNNIXFJSNXQL-SNVBAGLBSA-N 1 0 241.360 0.844 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CCOC12CCCC2 ZINC000934395674 631821055 /nfs/dbraw/zinc/82/10/55/631821055.db2.gz JMWXLAITJDVBPB-NSHDSACASA-N 1 0 236.315 0.427 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1CCC[C@H]1[NH3+] ZINC000158234838 631840709 /nfs/dbraw/zinc/84/07/09/631840709.db2.gz SUBAJKVIJMVPJA-JGVFFNPUSA-N 1 0 202.685 0.983 20 30 BCEDRO C#CC1(O)CN(CC[N@H+]2C[C@H](C)C[C@H](C)C2)C1 ZINC000934450935 631842239 /nfs/dbraw/zinc/84/22/39/631842239.db2.gz WMGKQIXETFJLOT-BETUJISGSA-N 1 0 236.359 0.644 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@](C)(O)C(=O)OC ZINC000934460429 631846499 /nfs/dbraw/zinc/84/64/99/631846499.db2.gz IPYHLCNUBJWYDB-KOLCDFICSA-N 1 0 213.277 0.561 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCCNS(=O)(=O)CC ZINC000934460197 631852970 /nfs/dbraw/zinc/85/29/70/631852970.db2.gz JXHGHIRUCZZSME-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)NCC(=O)OC ZINC000934465211 631860806 /nfs/dbraw/zinc/86/08/06/631860806.db2.gz LAHAKEAPVHUCKW-ZJUUUORDSA-N 1 0 240.303 0.315 20 30 BCEDRO C=CCC[N@@H+]1CCO[C@@]2(CCN(C(C)=O)C2)C1 ZINC000972199395 631866874 /nfs/dbraw/zinc/86/68/74/631866874.db2.gz AUOWDPIATVXMAU-ZDUSSCGKSA-N 1 0 238.331 0.886 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2conc2C)C1 ZINC000972206201 631870475 /nfs/dbraw/zinc/87/04/75/631870475.db2.gz HISDIYXTMGNEPN-NSHDSACASA-N 1 0 247.298 0.763 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000308826950 631871793 /nfs/dbraw/zinc/87/17/93/631871793.db2.gz RRUVOPZQUPVBPJ-VWYCJHECSA-N 1 0 212.293 0.930 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1CCC(=O)N(C)C ZINC000934510830 631892338 /nfs/dbraw/zinc/89/23/38/631892338.db2.gz CRHLEWBUTAWIMO-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO COC(=O)[C@@H]1CCCN1CCO[C@@H](C)C#N ZINC000309133946 631902790 /nfs/dbraw/zinc/90/27/90/631902790.db2.gz JRNCYBFMEIYSGG-UWVGGRQHSA-N 1 0 226.276 0.552 20 30 BCEDRO C=C[C@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC000934529194 631905376 /nfs/dbraw/zinc/90/53/76/631905376.db2.gz PWFQZELPGRNXSK-JTQLQIEISA-N 1 0 226.320 0.788 20 30 BCEDRO C=C[C@@H](C)NC(=O)COC1CC[NH+](C)CC1 ZINC000934529196 631905607 /nfs/dbraw/zinc/90/56/07/631905607.db2.gz PWFQZELPGRNXSK-SNVBAGLBSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CCCC1(C)C ZINC000309154921 631910028 /nfs/dbraw/zinc/91/00/28/631910028.db2.gz XFCJCYPHQJZUIS-JTQLQIEISA-N 1 0 208.305 0.904 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cn(C)cn2)C1 ZINC001028483728 635693433 /nfs/dbraw/zinc/69/34/33/635693433.db2.gz XVRALXFRXMXPDY-LLVKDONJSA-N 1 0 246.314 0.105 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)c2ncc[nH]2)C1 ZINC001028532649 635723100 /nfs/dbraw/zinc/72/31/00/635723100.db2.gz SATNZGINOKXUFL-SNVBAGLBSA-N 1 0 234.303 0.647 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cncn2C)C1 ZINC001028664734 635778654 /nfs/dbraw/zinc/77/86/54/635778654.db2.gz FAGDOIGEHFCGDU-LLVKDONJSA-N 1 0 246.314 0.105 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](CNC(=O)c2cnco2)C1 ZINC001028721139 635807925 /nfs/dbraw/zinc/80/79/25/635807925.db2.gz OPTNSKGGKJEHRI-NSHDSACASA-N 1 0 247.298 0.750 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001023159553 632402289 /nfs/dbraw/zinc/40/22/89/632402289.db2.gz ZFUXNJBTMKMMGQ-TXEJJXNPSA-N 1 0 248.330 0.696 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@H](C)COC ZINC000308911004 632408462 /nfs/dbraw/zinc/40/84/62/632408462.db2.gz DRRBJVSEGAJLQH-SNVBAGLBSA-N 1 0 235.349 0.459 20 30 BCEDRO CNC(=O)C(C)(C)CNC(=[NH2+])N1CCCCC1 ZINC000157376298 632428498 /nfs/dbraw/zinc/42/84/98/632428498.db2.gz JHDUQSKELLYBCR-UHFFFAOYSA-N 1 0 240.351 0.559 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@H]2COC[C@H]2O)cc1 ZINC000309513261 632433289 /nfs/dbraw/zinc/43/32/89/632433289.db2.gz QHLKSCCWGPKNAG-QWHCGFSZSA-N 1 0 217.268 0.517 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H](C)c1cnnn1C ZINC000926544588 632471391 /nfs/dbraw/zinc/47/13/91/632471391.db2.gz CPJPURAEYDNDIE-NXEZZACHSA-N 1 0 224.308 0.793 20 30 BCEDRO C=C(C)C[N@@H+](C)[C@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972573311 632471628 /nfs/dbraw/zinc/47/16/28/632471628.db2.gz HLTPMFJWAQRXRW-JTQLQIEISA-N 1 0 249.318 0.527 20 30 BCEDRO O=C(NO)[C@@H]1CCC[N@H+](Cc2cccnc2)C1 ZINC000782169615 632476578 /nfs/dbraw/zinc/47/65/78/632476578.db2.gz NSVAYMAVXQEDRJ-LLVKDONJSA-N 1 0 235.287 0.799 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1CCC(=O)N1)[C@@H]1CCCO1 ZINC000309554179 632491668 /nfs/dbraw/zinc/49/16/68/632491668.db2.gz GZDCYFFJKXPBHU-DCAQKATOSA-N 1 0 222.288 0.035 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccnn2)C1 ZINC000972599324 632512959 /nfs/dbraw/zinc/51/29/59/632512959.db2.gz YDHMWLGILIYMDV-LLVKDONJSA-N 1 0 244.298 0.256 20 30 BCEDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000159252800 632515457 /nfs/dbraw/zinc/51/54/57/632515457.db2.gz HVTZHNMNVAUDGA-GHMZBOCLSA-N 1 0 239.319 0.252 20 30 BCEDRO C#C[C@H]([NH2+]CCC1OCCO1)[C@H]1CCCO1 ZINC000309585829 632551128 /nfs/dbraw/zinc/55/11/28/632551128.db2.gz VMKHSHMAHAKYPX-WDEREUQCSA-N 1 0 225.288 0.520 20 30 BCEDRO C#CCNC(=O)[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000309646319 632612198 /nfs/dbraw/zinc/61/21/98/632612198.db2.gz QNPDZOYBJREBAT-WDEREUQCSA-N 1 0 206.289 0.372 20 30 BCEDRO COCCNC(=[NH2+])NCC1(C(C)C)CC1 ZINC000176935493 632642847 /nfs/dbraw/zinc/64/28/47/632642847.db2.gz BJZIKATTZVYPMU-UHFFFAOYSA-N 1 0 213.325 0.973 20 30 BCEDRO C#CCC[N@H+]1C[C@H](NC(C)=O)C(C)(C)C1 ZINC000972722221 632647747 /nfs/dbraw/zinc/64/77/47/632647747.db2.gz SJIXYVYYADRMLK-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000309752999 632664456 /nfs/dbraw/zinc/66/44/56/632664456.db2.gz BHJDWMTZXNVAIU-IJLUTSLNSA-N 1 0 225.336 0.939 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H]2COC[C@@H]2C)nn1 ZINC000926613358 632680506 /nfs/dbraw/zinc/68/05/06/632680506.db2.gz DYPNHDKMCCVXTG-ONGXEEELSA-N 1 0 222.292 0.589 20 30 BCEDRO CON=Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000255677522 632691776 /nfs/dbraw/zinc/69/17/76/632691776.db2.gz WKEMITOYUAYBAO-GFCCVEGCSA-N 1 0 247.298 0.759 20 30 BCEDRO CNC(=O)[C@@H]1CCC[N@H+](CCO[C@H](C)C#N)C1 ZINC000310303017 632716130 /nfs/dbraw/zinc/71/61/30/632716130.db2.gz PHXCQMMMHOBDNI-GHMZBOCLSA-N 1 0 239.319 0.373 20 30 BCEDRO C=CC[N@@H+]1CCCC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001024522616 632758765 /nfs/dbraw/zinc/75/87/65/632758765.db2.gz HGNJCSDUSPBJBK-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO CCCNC(=O)CNC(NCC)=[NH+]CC ZINC000161470474 632767946 /nfs/dbraw/zinc/76/79/46/632767946.db2.gz UZGAKOGGISAHNN-UHFFFAOYSA-N 1 0 214.313 0.088 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC001028981248 635861202 /nfs/dbraw/zinc/86/12/02/635861202.db2.gz BVJVTQZXSGGERK-LLVKDONJSA-N 1 0 246.314 0.105 20 30 BCEDRO CO[C@@H](CNC(=[NH2+])N(C)C)C(C)(C)C ZINC000177677527 632859983 /nfs/dbraw/zinc/85/99/83/632859983.db2.gz JZAPRBXICPVSNK-QMMMGPOBSA-N 1 0 201.314 0.924 20 30 BCEDRO CCNC(NC[C@](C)(O)CC)=[NH+]CC ZINC000066245960 632861087 /nfs/dbraw/zinc/86/10/87/632861087.db2.gz BCTYWFPGNPPXHU-SNVBAGLBSA-N 1 0 201.314 0.722 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC001028856496 635837473 /nfs/dbraw/zinc/83/74/73/635837473.db2.gz IIYTZPSRTVVTSZ-NSHDSACASA-N 1 0 246.314 0.403 20 30 BCEDRO CC[C@H]1COC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925002666 635839770 /nfs/dbraw/zinc/83/97/70/635839770.db2.gz MNCDTMOIQFGRFL-AAEUAGOBSA-N 1 0 237.347 0.989 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892576233 632987478 /nfs/dbraw/zinc/98/74/78/632987478.db2.gz NNTLCDZJWFICMZ-OPRDCNLKSA-N 1 0 211.309 0.988 20 30 BCEDRO C#CCCOC(=O)COC1CC[NH+](C)CC1 ZINC000923788013 632988602 /nfs/dbraw/zinc/98/86/02/632988602.db2.gz GJJQKFIAIULJNI-UHFFFAOYSA-N 1 0 225.288 0.664 20 30 BCEDRO [NH2+]=C(NCC1CCC1)NC[C@H]1COCCO1 ZINC000262023888 635897778 /nfs/dbraw/zinc/89/77/78/635897778.db2.gz YVHQUBIYROMNPC-JTQLQIEISA-N 1 0 227.308 0.106 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CCCC[C@@H]1OC ZINC000309438744 633074432 /nfs/dbraw/zinc/07/44/32/633074432.db2.gz HYOQENRUZXPOJO-QWRGUYRKSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1OC ZINC000309438742 633074922 /nfs/dbraw/zinc/07/49/22/633074922.db2.gz HYOQENRUZXPOJO-GHMZBOCLSA-N 1 0 224.304 0.283 20 30 BCEDRO C[NH+](C)C[C@H](O)CNc1ccc(C#N)cn1 ZINC000309447727 633080838 /nfs/dbraw/zinc/08/08/38/633080838.db2.gz KFUQYJQVFFPTOO-SNVBAGLBSA-N 1 0 220.276 0.288 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCC2(F)F)C1 ZINC001019019093 633153449 /nfs/dbraw/zinc/15/34/49/633153449.db2.gz SITPQYRMCTZXBC-UWVGGRQHSA-N 1 0 242.269 0.855 20 30 BCEDRO CC[C@@](C)(O)CNC(=[NH2+])N1CCSCC1 ZINC000170912759 633177143 /nfs/dbraw/zinc/17/71/43/633177143.db2.gz BDWDSGFXUKGKNP-SNVBAGLBSA-N 1 0 231.365 0.511 20 30 BCEDRO C[C@H](CC#N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928430315 635913523 /nfs/dbraw/zinc/91/35/23/635913523.db2.gz VWGRTUBDKGVXON-OPRDCNLKSA-N 1 0 209.293 0.745 20 30 BCEDRO C=C(C)COCC[NH2+]C1CCN(C=O)CC1 ZINC000309521132 633186626 /nfs/dbraw/zinc/18/66/26/633186626.db2.gz AJHIEDSNXDFWGP-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)C#CC2CC2)CC[N@@H+]1C ZINC000928430569 635915667 /nfs/dbraw/zinc/91/56/67/635915667.db2.gz HTGMSYUNYZATNZ-KOLCDFICSA-N 1 0 206.289 0.609 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000309568311 633201388 /nfs/dbraw/zinc/20/13/88/633201388.db2.gz MYHWPPQXUBKMCX-MNOVXSKESA-N 1 0 224.304 0.141 20 30 BCEDRO C#Cc1ccc(C[NH2+]C2(C(N)=O)CC2)cc1 ZINC000309599598 633209307 /nfs/dbraw/zinc/20/93/07/633209307.db2.gz VZQXPDSANVVEJE-UHFFFAOYSA-N 1 0 214.268 0.775 20 30 BCEDRO C[C@H]1[C@H](NC(=O)c2cnccc2C#N)CC[N@@H+]1C ZINC000928433434 635927205 /nfs/dbraw/zinc/92/72/05/635927205.db2.gz DVOJVPHWAPMQEF-JOYOIKCWSA-N 1 0 244.298 0.776 20 30 BCEDRO C[C@H]1[C@H](NC(=O)c2ccc(C#N)n2C)CC[N@@H+]1C ZINC000928434329 635928156 /nfs/dbraw/zinc/92/81/56/635928156.db2.gz PIQDJWHFMAPBSM-GXSJLCMTSA-N 1 0 246.314 0.719 20 30 BCEDRO C#Cc1cncc(C(=O)N[C@@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000928435149 635929861 /nfs/dbraw/zinc/92/98/61/635929861.db2.gz LNAKUNUPIVHJFB-GXFFZTMASA-N 1 0 243.310 0.885 20 30 BCEDRO CON(C)C(=O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000895042764 636019580 /nfs/dbraw/zinc/01/95/80/636019580.db2.gz LQNNILKMMVMRPG-UWVGGRQHSA-N 1 0 225.292 0.678 20 30 BCEDRO CON(C)C(=O)C[NH2+]C[C@@H](C)CCC#N ZINC000895042751 636019714 /nfs/dbraw/zinc/01/97/14/636019714.db2.gz KSUKYLQLEPFLGH-VIFPVBQESA-N 1 0 213.281 0.536 20 30 BCEDRO C#CCC(C)(C)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000184797969 636060209 /nfs/dbraw/zinc/06/02/09/636060209.db2.gz LBGKQJCOJQFTOJ-CYBMUJFWSA-N 1 0 240.347 0.465 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)CS1 ZINC000895158453 636100740 /nfs/dbraw/zinc/10/07/40/636100740.db2.gz IXDSOIUMSJJESC-VGMNWLOBSA-N 1 0 230.333 0.850 20 30 BCEDRO CC1(C)COC[C@H]1[NH2+][C@@H]1CCCN(O)C1=O ZINC000895157966 636100828 /nfs/dbraw/zinc/10/08/28/636100828.db2.gz GNDZLCXQWZZXHO-RKDXNWHRSA-N 1 0 228.292 0.381 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C ZINC001025660024 633739365 /nfs/dbraw/zinc/73/93/65/633739365.db2.gz SGTKMTHEMGJCRE-LVEVGFFFSA-N 1 0 220.316 0.875 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C ZINC001025665052 633739966 /nfs/dbraw/zinc/73/99/66/633739966.db2.gz ZFILAJRWJKSJFL-FHUSYTEZSA-N 1 0 232.327 0.712 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2C)C1 ZINC001019777037 633790255 /nfs/dbraw/zinc/79/02/55/633790255.db2.gz PZHCTPNPKUXLMJ-LBPRGKRZSA-N 1 0 246.314 0.015 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC001020318246 633815262 /nfs/dbraw/zinc/81/52/62/633815262.db2.gz HUOSELRBNUGMCX-WRWGMCAJSA-N 1 0 236.315 0.281 20 30 BCEDRO C[C@H]1[C@@H]([NH+]2CCCC2)CCN1C[C@H](O)CC#N ZINC000930481818 633844650 /nfs/dbraw/zinc/84/46/50/633844650.db2.gz WVWCXVDHFYVGSP-XQQFMLRXSA-N 1 0 237.347 0.820 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(=O)C(F)F)C[C@@H]12 ZINC001026162955 633868056 /nfs/dbraw/zinc/86/80/56/633868056.db2.gz JXFGRBRXXMBTEF-OPRDCNLKSA-N 1 0 242.269 0.711 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](CC)COC ZINC000309219395 633868337 /nfs/dbraw/zinc/86/83/37/633868337.db2.gz UZRQQHXUCOGECI-SNVBAGLBSA-N 1 0 235.349 0.602 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CN(C)C[C@H]1C)[C@@H]1CCCO1 ZINC000309387325 633905490 /nfs/dbraw/zinc/90/54/90/633905490.db2.gz FESKATNAJPXLRY-XQHKEYJVSA-N 1 0 222.332 0.707 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCn1ccnn1 ZINC000181493718 633919017 /nfs/dbraw/zinc/91/90/17/633919017.db2.gz QDGLKPYLAGJURC-UHFFFAOYSA-N 1 0 222.296 0.149 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](CC(=O)OC)C1CC1 ZINC000309581790 633959547 /nfs/dbraw/zinc/95/95/47/633959547.db2.gz QNMYSHTWHUMVBO-WDEREUQCSA-N 1 0 227.304 0.855 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@H]1C ZINC000947671724 633985163 /nfs/dbraw/zinc/98/51/63/633985163.db2.gz NPBRROMOIFGFLG-NXEZZACHSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1SCC ZINC000309670685 633986220 /nfs/dbraw/zinc/98/62/20/633986220.db2.gz VVWVHGRFNPUITG-GHMZBOCLSA-N 1 0 240.372 1.000 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@H]1SCC ZINC000309670699 633986831 /nfs/dbraw/zinc/98/68/31/633986831.db2.gz VVWVHGRFNPUITG-WDEREUQCSA-N 1 0 240.372 1.000 20 30 BCEDRO CC(C)[C@@](C)(CO)[NH2+]CC(=O)NCCC#N ZINC000309670844 633987077 /nfs/dbraw/zinc/98/70/77/633987077.db2.gz JUQIDSQPHCQNPZ-LLVKDONJSA-N 1 0 227.308 0.013 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000895490062 636151779 /nfs/dbraw/zinc/15/17/79/636151779.db2.gz KUJCXZSCGPILEU-UTUOFQBUSA-N 1 0 227.304 0.012 20 30 BCEDRO N#CC1CCC(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)CC1 ZINC000930699958 634047296 /nfs/dbraw/zinc/04/72/96/634047296.db2.gz LZVUZKAOVJKCPC-TUUUFIMRSA-N 1 0 238.331 0.601 20 30 BCEDRO CCCCNC(=[NH2+])N[C@H]1C[C@H](O)C1(C)C ZINC000186873185 634086766 /nfs/dbraw/zinc/08/67/66/634086766.db2.gz BZFYYTNKZIAAKJ-IUCAKERBSA-N 1 0 213.325 0.850 20 30 BCEDRO CC[C@H](CO)[NH2+][C@H](C)C(=O)N(C)CCC#N ZINC000310037519 634100552 /nfs/dbraw/zinc/10/05/52/634100552.db2.gz VFFRYCJNICNBON-NXEZZACHSA-N 1 0 227.308 0.107 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000310486209 634153676 /nfs/dbraw/zinc/15/36/76/634153676.db2.gz GHGJHVHRXLUWSY-QWHCGFSZSA-N 1 0 237.347 0.679 20 30 BCEDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N[C@@H](C)C#N ZINC000930907807 634167992 /nfs/dbraw/zinc/16/79/92/634167992.db2.gz NWVITILWPBAVRQ-VHSXEESVSA-N 1 0 209.293 0.887 20 30 BCEDRO C#CC[NH2+]CC(=O)N(CCOC)C(CC)CC ZINC000092492841 634184495 /nfs/dbraw/zinc/18/44/95/634184495.db2.gz FKWQTBGSKZXECE-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO [NH2+]=C(NCCCCCO)NCC1CCC1 ZINC000193019952 634263703 /nfs/dbraw/zinc/26/37/03/634263703.db2.gz ZKZROKFKXHMTSQ-UHFFFAOYSA-N 1 0 213.325 0.853 20 30 BCEDRO N#CC[C@@H]1CC[C@H]([NH2+][C@@H]2CNCCOC2)C1 ZINC000925681806 634282075 /nfs/dbraw/zinc/28/20/75/634282075.db2.gz QPXFKDKVVVCAJW-SDDRHHMPSA-N 1 0 223.320 0.647 20 30 BCEDRO CNC(NC[C@@H](C)NC(=O)OC(C)(C)C)=[NH+]C ZINC000195165696 634352470 /nfs/dbraw/zinc/35/24/70/634352470.db2.gz NOHGRMUMAUANGF-MRVPVSSYSA-N 1 0 244.339 0.694 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)c1cnn(C)n1 ZINC000925698695 634364299 /nfs/dbraw/zinc/36/42/99/634364299.db2.gz TXFMTFFIGTXZCG-NXEZZACHSA-N 1 0 224.308 0.650 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001027737595 635130307 /nfs/dbraw/zinc/13/03/07/635130307.db2.gz RZDLPKQINAGLSL-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001027762600 635139851 /nfs/dbraw/zinc/13/98/51/635139851.db2.gz PRPAIKVWQULZBO-NSHDSACASA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001027782140 635146828 /nfs/dbraw/zinc/14/68/28/635146828.db2.gz QBMCVWSXTQXVBV-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001027781449 635148036 /nfs/dbraw/zinc/14/80/36/635148036.db2.gz IXEUFEADLFUPFJ-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1ccnn1C ZINC001027783362 635149362 /nfs/dbraw/zinc/14/93/62/635149362.db2.gz WJFWUTVMPUIFRB-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO CC(C)NC(=[NH2+])NCCCc1cnn(C)c1 ZINC000104192678 635150289 /nfs/dbraw/zinc/15/02/89/635150289.db2.gz GRZLMWCHWBZSAF-UHFFFAOYSA-N 1 0 223.324 0.665 20 30 BCEDRO C#CCOCC[NH2+][C@H]1COCCC1(OC)OC ZINC000931674983 635198812 /nfs/dbraw/zinc/19/88/12/635198812.db2.gz LMCONIHPNNLUDC-NSHDSACASA-N 1 0 243.303 0.004 20 30 BCEDRO C[C@@H](O)[C@@H](C)[NH2+]Cc1nc(C#N)cs1 ZINC000336670164 635198842 /nfs/dbraw/zinc/19/88/42/635198842.db2.gz YKHAKWCRCVFTDT-RNFRBKRXSA-N 1 0 211.290 0.874 20 30 BCEDRO C=CCC[N@@H+]1CCC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001027991408 635283347 /nfs/dbraw/zinc/28/33/47/635283347.db2.gz BYQJZHTYRRKOJE-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@H]1CCCO1 ZINC000924207172 635301519 /nfs/dbraw/zinc/30/15/19/635301519.db2.gz VOPKTCRLOXQQOO-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2cocn2)C1 ZINC000980948732 635305253 /nfs/dbraw/zinc/30/52/53/635305253.db2.gz HJBPOBRZOZSFBO-MNOVXSKESA-N 1 0 247.298 0.938 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)C#CC2CC2)CC1 ZINC000981126435 635319418 /nfs/dbraw/zinc/31/94/18/635319418.db2.gz VVDPNVSQVVYRQY-UHFFFAOYSA-N 1 0 244.338 0.957 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cc(F)c[nH]1 ZINC001028032723 635322782 /nfs/dbraw/zinc/32/27/82/635322782.db2.gz ARPRCKLJEPMKHI-LLVKDONJSA-N 1 0 249.289 0.981 20 30 BCEDRO C=CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC000981187844 635324094 /nfs/dbraw/zinc/32/40/94/635324094.db2.gz RHBBHPUPWAVPPZ-NXEZZACHSA-N 1 0 249.318 0.621 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001028076694 635352704 /nfs/dbraw/zinc/35/27/04/635352704.db2.gz VEUPGLIDHLOPEF-IJLUTSLNSA-N 1 0 220.316 0.856 20 30 BCEDRO C=C(C)C[N@@H+]1CCCN(C(=O)c2cn[nH]n2)CC1 ZINC000981533118 635368534 /nfs/dbraw/zinc/36/85/34/635368534.db2.gz VCUYTUKNVLYNIZ-UHFFFAOYSA-N 1 0 249.318 0.529 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ccnnc1 ZINC001028160784 635438303 /nfs/dbraw/zinc/43/83/03/635438303.db2.gz BUKJNCFVZKQGJM-LBPRGKRZSA-N 1 0 246.314 0.857 20 30 BCEDRO CN(C)C(=[NH2+])NCCCOCC1CCOCC1 ZINC000178582963 635530634 /nfs/dbraw/zinc/53/06/34/635530634.db2.gz KYJJEKLBFDPKKW-UHFFFAOYSA-N 1 0 243.351 0.696 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001028385404 635664520 /nfs/dbraw/zinc/66/45/20/635664520.db2.gz CNNNTZDDDBWTKW-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC001028403049 635667617 /nfs/dbraw/zinc/66/76/17/635667617.db2.gz DPXZVOYBESVJFC-NSHDSACASA-N 1 0 231.299 0.700 20 30 BCEDRO C#CC[NH+]1CC[C@H](CNC(=O)[C@@H]2CC2(F)F)C1 ZINC001028528428 635720945 /nfs/dbraw/zinc/72/09/45/635720945.db2.gz JYSKEQHORWQAOH-ZJUUUORDSA-N 1 0 242.269 0.713 20 30 BCEDRO O=C(C#CC1CC1)N1C[C@H]2CC[C@@H](C1)[N@H+]2CCO ZINC001029300733 636058949 /nfs/dbraw/zinc/05/89/49/636058949.db2.gz QYXQGLMZXVJNQO-BETUJISGSA-N 1 0 248.326 0.067 20 30 BCEDRO C=CCNC(=[NH2+])NCC(=C)Br ZINC000195522748 636066644 /nfs/dbraw/zinc/06/66/44/636066644.db2.gz OZEIHZDYSKLJGI-UHFFFAOYSA-N 1 0 218.098 0.985 20 30 BCEDRO C#CCN(C(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000928623673 636212542 /nfs/dbraw/zinc/21/25/42/636212542.db2.gz XHPBCYVZQRQUID-NSHDSACASA-N 1 0 208.305 0.951 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1ccnc(OC)n1 ZINC000320325607 636226546 /nfs/dbraw/zinc/22/65/46/636226546.db2.gz YACSUBNLAXQMBI-JTQLQIEISA-N 1 0 223.276 0.512 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1ccnc(OC)n1 ZINC000320325608 636226941 /nfs/dbraw/zinc/22/69/41/636226941.db2.gz YACSUBNLAXQMBI-SNVBAGLBSA-N 1 0 223.276 0.512 20 30 BCEDRO COCCN(CC#N)C(=O)C[N@H+](C)C1CCC1 ZINC000909563640 636250484 /nfs/dbraw/zinc/25/04/84/636250484.db2.gz VIGWFYFCOJAPQN-UHFFFAOYSA-N 1 0 239.319 0.469 20 30 BCEDRO CNC(NCCc1ccc(C(=O)OC)cc1)=[NH+]C ZINC000303255539 636303393 /nfs/dbraw/zinc/30/33/93/636303393.db2.gz GOYXXBFPCOGVOB-UHFFFAOYSA-N 1 0 249.314 0.811 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCOCCOC ZINC000303894053 636314735 /nfs/dbraw/zinc/31/47/35/636314735.db2.gz SIQXOBCVJBZKLW-UHFFFAOYSA-N 1 0 217.313 0.306 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCn1cnnc1CC ZINC000304634292 636324142 /nfs/dbraw/zinc/32/41/42/636324142.db2.gz LRQIQKUYCYCQFK-UHFFFAOYSA-N 1 0 236.323 0.321 20 30 BCEDRO CN(C)C(=[NH+]CC(C)(C)S(C)(=O)=O)N(C)C ZINC000304717610 636324234 /nfs/dbraw/zinc/32/42/34/636324234.db2.gz NNJMKZSBMZALPD-UHFFFAOYSA-N 1 0 249.380 0.289 20 30 BCEDRO C=CC[C@H](CO)N[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000320702365 636356456 /nfs/dbraw/zinc/35/64/56/636356456.db2.gz YKPUDHYROGAVKT-ASHHDVGLSA-N 1 0 222.332 0.509 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)COC)[C@H]1C ZINC000985834883 636426876 /nfs/dbraw/zinc/42/68/76/636426876.db2.gz WWBLKLFOSHGCBB-VHSXEESVSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)COC)[C@@H]1C ZINC000985834878 636425969 /nfs/dbraw/zinc/42/59/69/636425969.db2.gz WWBLKLFOSHGCBB-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CC2)[C@@H]1C ZINC000985852666 636430688 /nfs/dbraw/zinc/43/06/88/636430688.db2.gz AJWLUVZVLVHZOP-KOLCDFICSA-N 1 0 206.289 0.609 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCC)[C@H]1C ZINC000985853963 636433596 /nfs/dbraw/zinc/43/35/96/636433596.db2.gz CQOMYMYWEAKDHO-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnccn2)[C@H]1C ZINC000985913515 636452089 /nfs/dbraw/zinc/45/20/89/636452089.db2.gz ANLDCJQGGRUKKB-WDEREUQCSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1C ZINC000985946963 636455219 /nfs/dbraw/zinc/45/52/19/636455219.db2.gz SYQZZNZZFSZEPH-CMPLNLGQSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnn(C)c2)[C@@H]1C ZINC000985946966 636456049 /nfs/dbraw/zinc/45/60/49/636456049.db2.gz SYQZZNZZFSZEPH-PWSUYJOCSA-N 1 0 246.314 0.246 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2cccn2)[C@@H]1C ZINC000985970374 636458456 /nfs/dbraw/zinc/45/84/56/636458456.db2.gz LNEHQFJDTOLPHB-NEPJUHHUSA-N 1 0 248.330 0.648 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(C)C)[C@@H]1C ZINC000985996612 636463646 /nfs/dbraw/zinc/46/36/46/636463646.db2.gz KPPGSWFCUFKOOG-MNOVXSKESA-N 1 0 208.305 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccn2C)[C@H]1C ZINC000986001794 636464360 /nfs/dbraw/zinc/46/43/60/636464360.db2.gz LEGPPULMPIPFDI-NWDGAFQWSA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cncs2)[C@H]1C ZINC000986016119 636469331 /nfs/dbraw/zinc/46/93/31/636469331.db2.gz FHRAGUXOXJHFPF-VHSXEESVSA-N 1 0 249.339 0.969 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)[C@@H]1C ZINC000986029056 636472086 /nfs/dbraw/zinc/47/20/86/636472086.db2.gz BHCWLYWYZLTCOO-KOLCDFICSA-N 1 0 234.303 0.788 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)[C@H]1C ZINC000986029060 636472615 /nfs/dbraw/zinc/47/26/15/636472615.db2.gz BHCWLYWYZLTCOO-ONGXEEELSA-N 1 0 234.303 0.788 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2ccon2)[C@@H]1C ZINC000986054376 636481552 /nfs/dbraw/zinc/48/15/52/636481552.db2.gz IVYYRLXPKMDUAF-PWSUYJOCSA-N 1 0 249.314 0.982 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ccon2)[C@H]1C ZINC000986058584 636483695 /nfs/dbraw/zinc/48/36/95/636483695.db2.gz UEMBTDFLDWGHKN-JQWIXIFHSA-N 1 0 247.298 0.429 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cscn2)[C@@H]1C ZINC000986070834 636486422 /nfs/dbraw/zinc/48/64/22/636486422.db2.gz UNDJFLHEFOJOOK-NXEZZACHSA-N 1 0 249.339 0.969 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COC[C@H]1C ZINC000928914475 636507210 /nfs/dbraw/zinc/50/72/10/636507210.db2.gz XRJBZNWECGFJSD-NXEZZACHSA-N 1 0 212.293 0.255 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(C)cn2)[C@@H]1C ZINC000986154629 636533625 /nfs/dbraw/zinc/53/36/25/636533625.db2.gz SGEWYIFBCKKJSK-MNOVXSKESA-N 1 0 248.330 0.799 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)cn2)[C@H]1C ZINC000986154632 636534759 /nfs/dbraw/zinc/53/47/59/636534759.db2.gz SGEWYIFBCKKJSK-WDEREUQCSA-N 1 0 248.330 0.799 20 30 BCEDRO CC[NH+]=C(NCC1CC1)NC[C@@H]1COCCO1 ZINC000262753551 636540535 /nfs/dbraw/zinc/54/05/35/636540535.db2.gz JQUMGHMSNMAFIH-LLVKDONJSA-N 1 0 241.335 0.367 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn(C)nn2)[C@H]1C ZINC000986230406 636548929 /nfs/dbraw/zinc/54/89/29/636548929.db2.gz IXXGSDTWIIGPDF-VHSXEESVSA-N 1 0 249.318 0.194 20 30 BCEDRO C[C@H]1[C@@H]([NH2+]CCF)CCN1C(=O)C#CC1CC1 ZINC000986288984 636551070 /nfs/dbraw/zinc/55/10/70/636551070.db2.gz WOTJSBJEXXUNSE-JQWIXIFHSA-N 1 0 238.306 0.948 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2n[nH]cc2C)[C@H]1C ZINC000986277275 636551873 /nfs/dbraw/zinc/55/18/73/636551873.db2.gz JHAPTVLLJQOSTG-QWRGUYRKSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccsn2)[C@H]1C ZINC000986426611 636555432 /nfs/dbraw/zinc/55/54/32/636555432.db2.gz QXDCKRMVSAOKDA-VHSXEESVSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccsn2)[C@@H]1C ZINC000986426601 636555505 /nfs/dbraw/zinc/55/55/05/636555505.db2.gz QXDCKRMVSAOKDA-NXEZZACHSA-N 1 0 249.339 0.969 20 30 BCEDRO C[NH+](C)C1(C)CCC(N=NC2=NCCN2)CC1 ZINC000872385371 636584810 /nfs/dbraw/zinc/58/48/10/636584810.db2.gz FXNJGAIGPGXSCR-UHFFFAOYSA-N 1 0 237.351 0.786 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ncccn2)[C@@H]1C ZINC000987222984 636640987 /nfs/dbraw/zinc/64/09/87/636640987.db2.gz IXOOUIACZYLEFC-GHMZBOCLSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccncn2)[C@@H]1C ZINC000987206628 636641248 /nfs/dbraw/zinc/64/12/48/636641248.db2.gz YXLLRWGJTORJNA-MNOVXSKESA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccncn2)[C@H]1C ZINC000987206629 636641871 /nfs/dbraw/zinc/64/18/71/636641871.db2.gz YXLLRWGJTORJNA-QWRGUYRKSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cccnn2)[C@@H]1C ZINC000987234150 636643290 /nfs/dbraw/zinc/64/32/90/636643290.db2.gz JLDTWGIOXJBFSF-MNOVXSKESA-N 1 0 244.298 0.302 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)COC)C1 ZINC000987658617 636658216 /nfs/dbraw/zinc/65/82/16/636658216.db2.gz SLTIVRHSTZHSRM-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)COC)C1 ZINC000987658610 636658238 /nfs/dbraw/zinc/65/82/38/636658238.db2.gz SLTIVRHSTZHSRM-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)C2CCC2)C1 ZINC000987717942 636665858 /nfs/dbraw/zinc/66/58/58/636665858.db2.gz UEWFWAIFIRCEEN-PWSUYJOCSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C2CCC2)C1 ZINC000987717945 636665930 /nfs/dbraw/zinc/66/59/30/636665930.db2.gz UEWFWAIFIRCEEN-ZYHUDNBSSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)CC2CC2)C1 ZINC000987750543 636667886 /nfs/dbraw/zinc/66/78/86/636667886.db2.gz FOZOWSJEPLIAJN-JQWIXIFHSA-N 1 0 220.316 0.999 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnccn2)C1 ZINC000987873419 636671716 /nfs/dbraw/zinc/67/17/16/636671716.db2.gz GIVDNNDAMTXGIG-WDEREUQCSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc(C)on2)C1 ZINC000987958327 636673676 /nfs/dbraw/zinc/67/36/76/636673676.db2.gz DEMSSOKFZGCAOX-MWLCHTKSSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cn[nH]c2)C1 ZINC000988188729 636682260 /nfs/dbraw/zinc/68/22/60/636682260.db2.gz JLDDZUBQSNIHIN-GXSJLCMTSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cscn2)C1 ZINC000988307027 636686852 /nfs/dbraw/zinc/68/68/52/636686852.db2.gz WKTRJJHAVQQTRI-UWVGGRQHSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cscn2)C1 ZINC000988307026 636687569 /nfs/dbraw/zinc/68/75/69/636687569.db2.gz WKTRJJHAVQQTRI-NXEZZACHSA-N 1 0 249.339 0.969 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cc[nH]n2)C1 ZINC000988442411 636713317 /nfs/dbraw/zinc/71/33/17/636713317.db2.gz YTARLYDOHOSRJE-JQWIXIFHSA-N 1 0 248.330 0.717 20 30 BCEDRO C=CCN1CC(=O)N([C@@H]2CCC[N@@H+](C)C2)C1=O ZINC000925288025 636730638 /nfs/dbraw/zinc/73/06/38/636730638.db2.gz BCUJPTFAUHBUAJ-SNVBAGLBSA-N 1 0 237.303 0.531 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ocnc2C)C1 ZINC000988554902 636736752 /nfs/dbraw/zinc/73/67/52/636736752.db2.gz QTNZIZIJUINNCM-ONGXEEELSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccns2)C1 ZINC000988912648 636791775 /nfs/dbraw/zinc/79/17/75/636791775.db2.gz PWMINSITLDZFNB-NXEZZACHSA-N 1 0 249.339 0.969 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cncn2C)C1 ZINC000989117973 636799488 /nfs/dbraw/zinc/79/94/88/636799488.db2.gz DSUFWZDKUUSTGY-MNOVXSKESA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[N@H+](C)CCCN1C(=O)[C@H]2CCCN2C1=O ZINC000925309346 636812656 /nfs/dbraw/zinc/81/26/56/636812656.db2.gz ZEHRTUZRWPQSMD-LLVKDONJSA-N 1 0 249.314 0.368 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2cnoc2)C1 ZINC000989344989 636818303 /nfs/dbraw/zinc/81/83/03/636818303.db2.gz VZRIZTWSPPORPD-CMPLNLGQSA-N 1 0 247.298 0.429 20 30 BCEDRO C=C(C)C[C@H]1NC(=O)N(C[C@H](C)[NH+](C)C)C1=O ZINC000925318276 636832889 /nfs/dbraw/zinc/83/28/89/636832889.db2.gz GEQAFZXFXKFAQN-VHSXEESVSA-N 1 0 239.319 0.823 20 30 BCEDRO C=CC[N@@H+]1CCCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000989439534 636835726 /nfs/dbraw/zinc/83/57/26/636835726.db2.gz OPSJPYNZWPAJJU-UHFFFAOYSA-N 1 0 249.318 0.068 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2CC23CC(O)C3)n1 ZINC000897843968 636837514 /nfs/dbraw/zinc/83/75/14/636837514.db2.gz KLLIVIGYOJVJFJ-CPCZMJQVSA-N 1 0 229.283 0.956 20 30 BCEDRO C=C(C)CCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897898537 636844853 /nfs/dbraw/zinc/84/48/53/636844853.db2.gz LPNABZVGVHUWPB-LBPRGKRZSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccnnc2)C1 ZINC000989475685 636858215 /nfs/dbraw/zinc/85/82/15/636858215.db2.gz CHIJHNXESRVMPA-ZYHUDNBSSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cnc[nH]2)C1 ZINC000989488258 636860203 /nfs/dbraw/zinc/86/02/03/636860203.db2.gz QOOPAICZGUFHPR-JQWIXIFHSA-N 1 0 248.330 0.717 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001014405714 636864496 /nfs/dbraw/zinc/86/44/96/636864496.db2.gz JERFUGKTJPQVEJ-GFCCVEGCSA-N 1 0 248.330 0.339 20 30 BCEDRO COc1cc(C#N)ccc1C(=O)NCC[NH+](C)C ZINC000929163790 636866321 /nfs/dbraw/zinc/86/63/21/636866321.db2.gz DBQAOJADFRAVBM-UHFFFAOYSA-N 1 0 247.298 0.858 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cccnn2)C1 ZINC000989592817 636866343 /nfs/dbraw/zinc/86/63/43/636866343.db2.gz DGIUEXCGFXQTDP-GHMZBOCLSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CCNC(=O)C[NH+](CC1CC1)CC1CC1 ZINC000083630381 636873305 /nfs/dbraw/zinc/87/33/05/636873305.db2.gz DLMWHYDCJOUDND-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccn(C)n2)C1 ZINC000989792837 636879197 /nfs/dbraw/zinc/87/91/97/636879197.db2.gz GIROWEAJJWUJNA-GHMZBOCLSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2[nH]cnc2C)C1 ZINC000989864735 636885692 /nfs/dbraw/zinc/88/56/92/636885692.db2.gz WDJGNJUCPGRKKC-KOLCDFICSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cccnc2)CC1 ZINC000989859062 636887166 /nfs/dbraw/zinc/88/71/66/636887166.db2.gz HZNYMXOCXJUPPI-UHFFFAOYSA-N 1 0 243.310 0.909 20 30 BCEDRO CC[C@H](C)NC(NCc1noc(C)n1)=[NH+]C ZINC000088905532 636902149 /nfs/dbraw/zinc/90/21/49/636902149.db2.gz GSKVTOFDZOEVQB-ZETCQYMHSA-N 1 0 225.296 0.842 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ncoc2C)CC1 ZINC000990152579 636921616 /nfs/dbraw/zinc/92/16/16/636921616.db2.gz HEMNUJJMWKOSJY-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO C=CCC[C@@H](CC)[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927035785 637008771 /nfs/dbraw/zinc/00/87/71/637008771.db2.gz XRDOYZQYHDEVTD-MNOVXSKESA-N 1 0 249.376 0.726 20 30 BCEDRO C=CCCNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000898661645 637052844 /nfs/dbraw/zinc/05/28/44/637052844.db2.gz ITEFKPKAJHJDAZ-LLVKDONJSA-N 1 0 224.304 0.399 20 30 BCEDRO CC#CCCCC(=O)N[C@@H](CO)c1cncn1C ZINC000898889593 637063540 /nfs/dbraw/zinc/06/35/40/637063540.db2.gz PKBCXFCNAVXHBJ-NSHDSACASA-N 1 0 249.314 0.763 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC(C)(C)O ZINC000900902362 637196973 /nfs/dbraw/zinc/19/69/73/637196973.db2.gz UNTGALWFYSVBCY-UHFFFAOYSA-N 1 0 214.309 0.381 20 30 BCEDRO N#CCN(CC#N)C(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000900464905 637187288 /nfs/dbraw/zinc/18/72/88/637187288.db2.gz UDFPFEZYQYDDQJ-VXGBXAGGSA-N 1 0 246.314 0.879 20 30 BCEDRO C[N@H+](CC(=O)N(CC#N)CC#N)C1CCC1 ZINC000900465298 637187680 /nfs/dbraw/zinc/18/76/80/637187680.db2.gz ZMEXJDVILPLYIA-UHFFFAOYSA-N 1 0 220.276 0.346 20 30 BCEDRO N#CCN(CC#N)C(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900464903 637187868 /nfs/dbraw/zinc/18/78/68/637187868.db2.gz UDFPFEZYQYDDQJ-NWDGAFQWSA-N 1 0 246.314 0.879 20 30 BCEDRO N#CCN(CC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900464904 637187955 /nfs/dbraw/zinc/18/79/55/637187955.db2.gz UDFPFEZYQYDDQJ-RYUDHWBXSA-N 1 0 246.314 0.879 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2c3c(nn2C)CCC3)N1 ZINC000901214768 637234692 /nfs/dbraw/zinc/23/46/92/637234692.db2.gz DJNCBMHIRIOYDP-MRVPVSSYSA-N 1 0 246.318 0.180 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccnnc1 ZINC000901214857 637235029 /nfs/dbraw/zinc/23/50/29/637235029.db2.gz FZIKTCQIVHZZHB-ZETCQYMHSA-N 1 0 218.264 0.138 20 30 BCEDRO C#CCSCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903120340 637343825 /nfs/dbraw/zinc/34/38/25/637343825.db2.gz NOMNMJBKFBGENV-NEPJUHHUSA-N 1 0 241.356 0.890 20 30 BCEDRO C=CCC[C@H](O)CN1CC[NH2+]C[C@H]1CCOC ZINC000903841352 637385055 /nfs/dbraw/zinc/38/50/55/637385055.db2.gz WTTQSCLLDBLTQK-OLZOCXBDSA-N 1 0 242.363 0.624 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)C2(O)CCC2)cc1 ZINC000905040036 637559406 /nfs/dbraw/zinc/55/94/06/637559406.db2.gz YTPZKVVHYBBURR-CYBMUJFWSA-N 1 0 246.310 0.924 20 30 BCEDRO N#CCCNC(=[NH2+])NC[C@@H]1CCCS1 ZINC000905045773 637564689 /nfs/dbraw/zinc/56/46/89/637564689.db2.gz FTGQUXOIXMORAQ-QMMMGPOBSA-N 1 0 212.322 0.910 20 30 BCEDRO C#CCSCC[NH2+]C[C@](C)(O)C(F)F ZINC000905132831 637643847 /nfs/dbraw/zinc/64/38/47/637643847.db2.gz JCFJTLBBXYNEMP-VIFPVBQESA-N 1 0 223.288 0.959 20 30 BCEDRO C#CCSCC[NH2+]C[C@@](C)(O)C(F)F ZINC000905132830 637644401 /nfs/dbraw/zinc/64/44/01/637644401.db2.gz JCFJTLBBXYNEMP-SECBINFHSA-N 1 0 223.288 0.959 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1nnc(C2CC2)o1 ZINC000905152050 637661580 /nfs/dbraw/zinc/66/15/80/637661580.db2.gz TXVKVQIMVUPKAA-UHFFFAOYSA-N 1 0 248.286 0.242 20 30 BCEDRO Cc1cc(NC(=O)NCC#CC[NH+](C)C)no1 ZINC000905152567 637661589 /nfs/dbraw/zinc/66/15/89/637661589.db2.gz DWIQLPULAMUTCY-UHFFFAOYSA-N 1 0 236.275 0.670 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Nc1ccncn1 ZINC000905151744 637662152 /nfs/dbraw/zinc/66/21/52/637662152.db2.gz RCHWCMKESOSSRP-UHFFFAOYSA-N 1 0 233.275 0.163 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1nccs1 ZINC000905152073 637662894 /nfs/dbraw/zinc/66/28/94/637662894.db2.gz UERQVSGCSPZOAT-UHFFFAOYSA-N 1 0 223.301 0.438 20 30 BCEDRO C=CCCOCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905185477 637665715 /nfs/dbraw/zinc/66/57/15/637665715.db2.gz BOSFFTBNXNWLHE-NSHDSACASA-N 1 0 229.320 0.445 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905207326 637696277 /nfs/dbraw/zinc/69/62/77/637696277.db2.gz GBFNBXQALLXGER-LBPRGKRZSA-N 1 0 241.331 0.282 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905203549 637696437 /nfs/dbraw/zinc/69/64/37/637696437.db2.gz RKJYUMOLCAIYGQ-GFCCVEGCSA-N 1 0 243.347 0.835 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)C1(O)CCOCC1)C(C)C ZINC000905245047 637704891 /nfs/dbraw/zinc/70/48/91/637704891.db2.gz TXXZVSHDJHNJKA-NEPJUHHUSA-N 1 0 241.331 0.136 20 30 BCEDRO N#CCC1(C[NH2+]C[C@@H](O)C2(O)CCCC2)CC1 ZINC000905245579 637705332 /nfs/dbraw/zinc/70/53/32/637705332.db2.gz ADHVZUYAAJIVCJ-LLVKDONJSA-N 1 0 238.331 0.936 20 30 BCEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905245946 637706070 /nfs/dbraw/zinc/70/60/70/637706070.db2.gz ZJNLCCAYMHXFHD-XQQFMLRXSA-N 1 0 243.347 0.833 20 30 BCEDRO Cc1cccc([C@H](O)C[NH2+]CC(=O)NCC#N)c1 ZINC000905257573 637713568 /nfs/dbraw/zinc/71/35/68/637713568.db2.gz RLPOLWCYQPEPME-GFCCVEGCSA-N 1 0 247.298 0.258 20 30 BCEDRO C=CCCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905240877 637723932 /nfs/dbraw/zinc/72/39/32/637723932.db2.gz AWYISGUAZALNNI-NWDGAFQWSA-N 1 0 229.320 0.445 20 30 BCEDRO C=CCCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905240879 637724300 /nfs/dbraw/zinc/72/43/00/637724300.db2.gz AWYISGUAZALNNI-VXGBXAGGSA-N 1 0 229.320 0.445 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H]1C ZINC001074516374 711443324 /nfs/dbraw/zinc/44/33/24/711443324.db2.gz QFCHDOPMNNHBPM-SRVKXCTJSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CC(C)(C)C[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905272398 637729722 /nfs/dbraw/zinc/72/97/22/637729722.db2.gz GWHWMDWQEVPNFK-AAEUAGOBSA-N 1 0 243.347 0.691 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@](C)(O)C(F)F ZINC000905271245 637730419 /nfs/dbraw/zinc/73/04/19/637730419.db2.gz BHKNYHURCJOXAW-NSHDSACASA-N 1 0 234.290 0.547 20 30 BCEDRO C=CC(C)(C)C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905272800 637731667 /nfs/dbraw/zinc/73/16/67/637731667.db2.gz KTJPKJZKGXLIDQ-NSHDSACASA-N 1 0 243.347 0.691 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905272833 637732419 /nfs/dbraw/zinc/73/24/19/637732419.db2.gz LFQKMYYMKZTWLL-NEPJUHHUSA-N 1 0 229.320 0.445 20 30 BCEDRO N#CC1(C[NH2+]C[C@@H](O)C2(O)CCCC2)CCC1 ZINC000905289027 637740150 /nfs/dbraw/zinc/74/01/50/637740150.db2.gz PXSSWDMEZJGKTN-LLVKDONJSA-N 1 0 238.331 0.936 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905351752 637771514 /nfs/dbraw/zinc/77/15/14/637771514.db2.gz BLRRQJPMEKWFRC-VXGBXAGGSA-N 1 0 243.347 0.569 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905356859 637775009 /nfs/dbraw/zinc/77/50/09/637775009.db2.gz IFVJPMVQSWKPDQ-VXGBXAGGSA-N 1 0 243.347 0.569 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905356533 637775335 /nfs/dbraw/zinc/77/53/35/637775335.db2.gz GDVXCAXDUBNULS-QWRGUYRKSA-N 1 0 229.320 0.179 20 30 BCEDRO CC[C@](O)(C[NH2+]CC#CCO)C(F)(F)F ZINC000905357187 637776360 /nfs/dbraw/zinc/77/63/60/637776360.db2.gz KGDHGMUKWCWAAK-QMMMGPOBSA-N 1 0 225.210 0.275 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@](O)(CC)C(F)(F)F ZINC000905358468 637777584 /nfs/dbraw/zinc/77/75/84/637777584.db2.gz PJHOQLRQOJEGCJ-RKDXNWHRSA-N 1 0 239.237 0.664 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905359683 637779045 /nfs/dbraw/zinc/77/90/45/637779045.db2.gz VPAISILYBZPQRK-NEPJUHHUSA-N 1 0 241.331 0.016 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@](C)(O)C(F)F ZINC000905360211 637779581 /nfs/dbraw/zinc/77/95/81/637779581.db2.gz XRYGZJFOLQUTQN-VXNVDRBHSA-N 1 0 209.236 0.529 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@](O)(CC)C(F)(F)F ZINC000905366518 637788973 /nfs/dbraw/zinc/78/89/73/637788973.db2.gz OSIVEQPAKUQORW-HTQZYQBOSA-N 1 0 225.210 0.274 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000905366520 637789069 /nfs/dbraw/zinc/78/90/69/637789069.db2.gz OSIVEQPAKUQORW-SFYZADRCSA-N 1 0 225.210 0.274 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)COCC(C)C ZINC000905451753 637810182 /nfs/dbraw/zinc/81/01/82/637810182.db2.gz KVYCHGRCAUSGRN-CHWSQXEVSA-N 1 0 245.363 0.937 20 30 BCEDRO C=C/C=C\CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000905425045 637811866 /nfs/dbraw/zinc/81/18/66/637811866.db2.gz MJLMRXRPMUKEOJ-DSYXLKISSA-N 1 0 237.347 0.915 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](COC)C1 ZINC000905431035 637813401 /nfs/dbraw/zinc/81/34/01/637813401.db2.gz SAXMHAAMLVMOJZ-PHIMTYICSA-N 1 0 224.304 0.141 20 30 BCEDRO CCN1CC[C@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000905440873 637816309 /nfs/dbraw/zinc/81/63/09/637816309.db2.gz HNIWIRMJRUHUQS-RYUDHWBXSA-N 1 0 239.363 0.971 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)O ZINC000905455204 637820042 /nfs/dbraw/zinc/82/00/42/637820042.db2.gz XCBOIEOTOFSDEG-GHMZBOCLSA-N 1 0 231.336 0.425 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)CSC ZINC000905454449 637820511 /nfs/dbraw/zinc/82/05/11/637820511.db2.gz SXWJOAAWNTWUHV-ZJUUUORDSA-N 1 0 219.350 0.627 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000905455205 637820701 /nfs/dbraw/zinc/82/07/01/637820701.db2.gz XCBOIEOTOFSDEG-MNOVXSKESA-N 1 0 231.336 0.425 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C[C@H](O)CSC)C1 ZINC000905461243 637824307 /nfs/dbraw/zinc/82/43/07/637824307.db2.gz PKGSVOBDMXRMTI-NEPJUHHUSA-N 1 0 242.388 0.398 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc(C#N)ccn1 ZINC000905460771 637825303 /nfs/dbraw/zinc/82/53/03/637825303.db2.gz PNEMIKZXBRRQKK-QMMMGPOBSA-N 1 0 242.286 0.615 20 30 BCEDRO C[C@@H]1[C@@H]([NH2+]C[C@H](O)CC2(C#N)CC2)CCN1C ZINC000905541952 637839144 /nfs/dbraw/zinc/83/91/44/637839144.db2.gz GQVPECSBBXVYDH-UTUOFQBUSA-N 1 0 237.347 0.723 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=S)NCC=C)C1 ZINC000905571785 637849836 /nfs/dbraw/zinc/84/98/36/637849836.db2.gz SEXGTZDPUXKLRV-LLVKDONJSA-N 1 0 237.372 0.734 20 30 BCEDRO C#CCN1CCC[C@H](NC(=S)NC2CC2)C1 ZINC000905570334 637850866 /nfs/dbraw/zinc/85/08/66/637850866.db2.gz IBTXRNSGIAUMKG-NSHDSACASA-N 1 0 237.372 0.711 20 30 BCEDRO C#CCNC(=S)NCc1cc(N(C)C)cc[nH+]1 ZINC000905619713 637858989 /nfs/dbraw/zinc/85/89/89/637858989.db2.gz YABMWHYWMGGXKC-UHFFFAOYSA-N 1 0 248.355 0.745 20 30 BCEDRO CCC[N@@H+]1CCC[C@@H](C(=O)NCC#N)C1 ZINC000906479124 638175870 /nfs/dbraw/zinc/17/58/70/638175870.db2.gz LCWONGXVSPPSCU-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C[N@@H+]1CCCC[C@@H]1CCn1cnc(C#N)cc1=O ZINC000906507273 638195682 /nfs/dbraw/zinc/19/56/82/638195682.db2.gz JXBGOZNNRGDWIJ-GFCCVEGCSA-N 1 0 246.314 0.989 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H]([C@H](C)O)C1 ZINC000907263546 638336389 /nfs/dbraw/zinc/33/63/89/638336389.db2.gz IMXWVRLKMZBFHY-NWDGAFQWSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(F)C1 ZINC000907328088 638356843 /nfs/dbraw/zinc/35/68/43/638356843.db2.gz TZTFZGOJXRPXFT-UHFFFAOYSA-N 1 0 200.257 0.675 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@](O)(CC)C1 ZINC000907551593 638405228 /nfs/dbraw/zinc/40/52/28/638405228.db2.gz YCEYHILGIFNGKS-ZDUSSCGKSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CCO)C1CCC1 ZINC000907621929 638422192 /nfs/dbraw/zinc/42/21/92/638422192.db2.gz VCICZCZEIXAUKV-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000907632042 638426591 /nfs/dbraw/zinc/42/65/91/638426591.db2.gz KCPDBGYRSTWEHH-PWSUYJOCSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC1OCCCO1 ZINC000907642150 638431137 /nfs/dbraw/zinc/43/11/37/638431137.db2.gz XOVBEOJOTZIPBV-UHFFFAOYSA-N 1 0 242.319 0.374 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCCCO ZINC000907662972 638435928 /nfs/dbraw/zinc/43/59/28/638435928.db2.gz IECIKLJBQXCOSS-UHFFFAOYSA-N 1 0 228.336 0.725 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](O)C[C@H]1C ZINC000907664535 638438469 /nfs/dbraw/zinc/43/84/69/638438469.db2.gz RAXYFORLTXMRGW-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOC[C@H]1CCOC1 ZINC000907664961 638438617 /nfs/dbraw/zinc/43/86/17/638438617.db2.gz CMBBLOSGODAPIF-NSHDSACASA-N 1 0 242.319 0.579 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000907718618 638455866 /nfs/dbraw/zinc/45/58/66/638455866.db2.gz PSQPXYOXAPQCKB-WCQYABFASA-N 1 0 238.331 0.361 20 30 BCEDRO C#C[C@H](CC)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907718619 638456419 /nfs/dbraw/zinc/45/64/19/638456419.db2.gz PSQPXYOXAPQCKB-YPMHNXCESA-N 1 0 238.331 0.361 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907773195 638466507 /nfs/dbraw/zinc/46/65/07/638466507.db2.gz BRDCEXIBNXPXEP-AAEUAGOBSA-N 1 0 238.331 0.313 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC000907774747 638467556 /nfs/dbraw/zinc/46/75/56/638467556.db2.gz OKEKTYCERZKHOR-SNVBAGLBSA-N 1 0 206.289 0.562 20 30 BCEDRO C=CCCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000907852010 638487486 /nfs/dbraw/zinc/48/74/86/638487486.db2.gz GZVCZWZIRMKSJL-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC1(C#N)CC1 ZINC000907940969 638516159 /nfs/dbraw/zinc/51/61/59/638516159.db2.gz WZBNTPARDJEIJB-UHFFFAOYSA-N 1 0 221.304 0.914 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCCO ZINC000908005274 638545906 /nfs/dbraw/zinc/54/59/06/638545906.db2.gz SXKAAXVUAKUVHG-UHFFFAOYSA-N 1 0 214.309 0.335 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCCCN1 ZINC000908155760 638577079 /nfs/dbraw/zinc/57/70/79/638577079.db2.gz BFODITJMWPICIR-UHFFFAOYSA-N 1 0 211.309 0.621 20 30 BCEDRO C=CC(C)(C)CC(=O)N[C@H](CO)C[NH+](C)C ZINC000908200686 638606546 /nfs/dbraw/zinc/60/65/46/638606546.db2.gz LZRXBZUAOKYRNJ-JTQLQIEISA-N 1 0 228.336 0.627 20 30 BCEDRO CC(C)C#CC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000908201232 638610441 /nfs/dbraw/zinc/61/04/41/638610441.db2.gz CLTXIEGRVRNPTK-GFCCVEGCSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1cncn1C ZINC000908262291 638627662 /nfs/dbraw/zinc/62/76/62/638627662.db2.gz XQGIJUFAROMDLM-UHFFFAOYSA-N 1 0 236.319 0.544 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1nc(C)n(C)n1 ZINC000908361907 638667770 /nfs/dbraw/zinc/66/77/70/638667770.db2.gz RDBYFIPIFBGFFW-UHFFFAOYSA-N 1 0 237.307 0.570 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1ncn(C)n1 ZINC000908377350 638673276 /nfs/dbraw/zinc/67/32/76/638673276.db2.gz FIJPYXUVHGLOQX-UHFFFAOYSA-N 1 0 223.280 0.262 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)CC(C)=O ZINC000908390924 638689363 /nfs/dbraw/zinc/68/93/63/638689363.db2.gz BTXYYXUXMWAMKU-UHFFFAOYSA-N 1 0 212.293 0.542 20 30 BCEDRO N#CC1CN(C(=O)[C@@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000908398556 638694736 /nfs/dbraw/zinc/69/47/36/638694736.db2.gz HHZLNDYGBSZBER-NEPJUHHUSA-N 1 0 233.315 0.985 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1CC(=O)C1 ZINC000908463126 638722854 /nfs/dbraw/zinc/72/28/54/638722854.db2.gz AIIAPKHEBCJCHB-UHFFFAOYSA-N 1 0 210.277 0.342 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC2(C1)CCOC2 ZINC000908455448 638742479 /nfs/dbraw/zinc/74/24/79/638742479.db2.gz QDEFUWRGYDSUTA-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(OCC)C1 ZINC000908453880 638743446 /nfs/dbraw/zinc/74/34/46/638743446.db2.gz DJXLVYLYKPOYCD-UHFFFAOYSA-N 1 0 226.320 0.742 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CC(C)=NO1 ZINC000908707657 639058059 /nfs/dbraw/zinc/05/80/59/639058059.db2.gz UIOGUGJXYZQYKU-LLVKDONJSA-N 1 0 239.319 0.775 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NO[C@H](CO)C(C)C ZINC000909054553 639133459 /nfs/dbraw/zinc/13/34/59/639133459.db2.gz QGIQPCZJUSILGV-LLVKDONJSA-N 1 0 244.335 0.559 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1COC[C@H]1OC ZINC000909931684 639282393 /nfs/dbraw/zinc/28/23/93/639282393.db2.gz GBQCONALRLGVAN-WDEREUQCSA-N 1 0 242.319 0.024 20 30 BCEDRO CC[N@@H+]1CCCN(C(=O)C=NOC)[C@H](C)C1 ZINC000910272764 639400102 /nfs/dbraw/zinc/40/01/02/639400102.db2.gz HBLRTDHLWMUFOM-SNVBAGLBSA-N 1 0 227.308 0.561 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1CC(OC)(OC)C1 ZINC000911029317 639562345 /nfs/dbraw/zinc/56/23/45/639562345.db2.gz QVVSRASBACSWLW-UHFFFAOYSA-N 1 0 242.319 0.372 20 30 BCEDRO C=C(C)C[N@H+](C)C[C@H](O)C1(O)CCOCC1 ZINC000930244996 639655913 /nfs/dbraw/zinc/65/59/13/639655913.db2.gz QQCFJFOQFGOGGV-NSHDSACASA-N 1 0 229.320 0.397 20 30 BCEDRO C[C@H](O)C[C@@H]1CCCC[N@@H+]1C[C@H](O)CC#N ZINC000930266668 639668562 /nfs/dbraw/zinc/66/85/62/639668562.db2.gz CGIWGDQBRGEWDN-SDDRHHMPSA-N 1 0 226.320 0.886 20 30 BCEDRO C[C@H]1CN(C[C@H](O)CC#N)C[C@H](C2CC2)O1 ZINC000930268466 639671516 /nfs/dbraw/zinc/67/15/16/639671516.db2.gz BJYFVXZBDRHDPT-MVWJERBFSA-N 1 0 224.304 0.760 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCCC[NH2+]CC ZINC000911686964 639722272 /nfs/dbraw/zinc/72/22/72/639722272.db2.gz AFLFZTNWULEGPL-JTQLQIEISA-N 1 0 200.282 0.039 20 30 BCEDRO C#CCNCC(=O)Nc1cccc(C[NH2+]CC)c1 ZINC000911682187 639723583 /nfs/dbraw/zinc/72/35/83/639723583.db2.gz LWKTYTJPAOYJLP-UHFFFAOYSA-N 1 0 245.326 0.957 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H]2CC[NH2+]C2)c(F)c1 ZINC000911694935 639731314 /nfs/dbraw/zinc/73/13/14/639731314.db2.gz GYDPHLFAZKQRQR-SECBINFHSA-N 1 0 233.246 0.789 20 30 BCEDRO COc1cc(C#N)ccc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000911697425 639732034 /nfs/dbraw/zinc/73/20/34/639732034.db2.gz BHKPBXGEEYFWRF-JTQLQIEISA-N 1 0 245.282 0.659 20 30 BCEDRO CCC[C@]1([NH2+]C[C@H](O)CC#N)CCOC1 ZINC000930460608 639762110 /nfs/dbraw/zinc/76/21/10/639762110.db2.gz LSAQGGSRHGWNBT-MNOVXSKESA-N 1 0 212.293 0.810 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)C1(C#N)CCSCC1 ZINC000911744465 639771568 /nfs/dbraw/zinc/77/15/68/639771568.db2.gz JTIDPDUHMLSEBM-VIFPVBQESA-N 1 0 241.360 0.877 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCCC[NH2+]C(C)C ZINC000911763494 639791500 /nfs/dbraw/zinc/79/15/00/639791500.db2.gz HTRYBPZXUGXUPQ-NSHDSACASA-N 1 0 214.309 0.428 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)C[C@H](O)Cc1ccccc1 ZINC000930565415 639812019 /nfs/dbraw/zinc/81/20/19/639812019.db2.gz XCSQSFKKIGUSBF-ZIAGYGMSSA-N 1 0 248.326 0.796 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000930600849 639816856 /nfs/dbraw/zinc/81/68/56/639816856.db2.gz OAEIEIDOOYBODX-WDEREUQCSA-N 1 0 211.305 0.654 20 30 BCEDRO Cc1cnccc1NC(=O)NCC#CC[NH+](C)C ZINC000930621500 639827058 /nfs/dbraw/zinc/82/70/58/639827058.db2.gz YGBGRJNRYMCOFC-UHFFFAOYSA-N 1 0 246.314 0.498 20 30 BCEDRO CC1(C)[C@H]([NH2+]C[C@H](O)CC#N)[C@H]2CCO[C@H]21 ZINC000930625629 639828441 /nfs/dbraw/zinc/82/84/41/639828441.db2.gz NLGWSQAIFAHYDK-GWOFURMSSA-N 1 0 224.304 0.664 20 30 BCEDRO CO[C@H]1C[C@H]([NH2+]C[C@H](O)CC#N)C1(C)C ZINC000930628169 639831209 /nfs/dbraw/zinc/83/12/09/639831209.db2.gz LQMSRBJRWQVRMF-UTLUCORTSA-N 1 0 212.293 0.664 20 30 BCEDRO CO[C@@H]1CC[N@H+](C[C@H](O)CC#N)C[C@@H]1C ZINC000930637771 639835380 /nfs/dbraw/zinc/83/53/80/639835380.db2.gz MOWQAXNWUSKOJH-HBNTYKKESA-N 1 0 212.293 0.618 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000930639196 639838416 /nfs/dbraw/zinc/83/84/16/639838416.db2.gz MGWHIPPKSXTGFR-GRYCIOLGSA-N 1 0 241.331 0.586 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)[C@@H](CO)CC(C)(C)C ZINC000930648799 639843017 /nfs/dbraw/zinc/84/30/17/639843017.db2.gz AEUPNOLWUDUWRZ-GHMZBOCLSA-N 1 0 228.336 0.990 20 30 BCEDRO CCOC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000930650679 639844408 /nfs/dbraw/zinc/84/44/08/639844408.db2.gz PYULKADVINDWDR-MXWKQRLJSA-N 1 0 240.303 0.582 20 30 BCEDRO CC(C)[N@@H+]1CC[C@@H](N(C)C[C@H](O)CC#N)C1 ZINC000930673262 639858656 /nfs/dbraw/zinc/85/86/56/639858656.db2.gz RYTYAJUCOVPARM-VXGBXAGGSA-N 1 0 225.336 0.675 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000911857427 639862146 /nfs/dbraw/zinc/86/21/46/639862146.db2.gz WJNGUTTWFBCCMD-SCVCMEIPSA-N 1 0 224.304 0.276 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000930692202 639862596 /nfs/dbraw/zinc/86/25/96/639862596.db2.gz FGGWCICAFRXFCI-WDEREUQCSA-N 1 0 242.319 0.171 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000930693594 639864548 /nfs/dbraw/zinc/86/45/48/639864548.db2.gz QUIDCKIXIURFRZ-NXEZZACHSA-N 1 0 212.293 0.544 20 30 BCEDRO CO[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC#N)C12CCC2 ZINC000930700915 639865066 /nfs/dbraw/zinc/86/50/66/639865066.db2.gz XTRNYNGBRVWULS-GMTAPVOTSA-N 1 0 224.304 0.808 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCOC ZINC000911891534 639870270 /nfs/dbraw/zinc/87/02/70/639870270.db2.gz JKYJMAZGMJZSGC-SECBINFHSA-N 1 0 200.282 0.433 20 30 BCEDRO 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20 30 BCEDRO C[C@@H](c1cccc(C#N)c1)[N@H+](C)C[C@H](O)CO ZINC000930763991 639904119 /nfs/dbraw/zinc/90/41/19/639904119.db2.gz IKXPYOBWPFELIB-GWCFXTLKSA-N 1 0 234.299 0.904 20 30 BCEDRO CCC[C@@H](C)[C@H](CO)[NH2+]C[C@H](O)CC#N ZINC000930849009 639943423 /nfs/dbraw/zinc/94/34/23/639943423.db2.gz OCVHRJZGVNEBDE-MXWKQRLJSA-N 1 0 214.309 0.648 20 30 BCEDRO CCC[C@H](C)[C@@H](CO)[NH2+]C[C@H](O)CC#N ZINC000930849007 639944698 /nfs/dbraw/zinc/94/46/98/639944698.db2.gz OCVHRJZGVNEBDE-HBNTYKKESA-N 1 0 214.309 0.648 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@@H]1CCC2(COC2)O1 ZINC000930869401 639962000 /nfs/dbraw/zinc/96/20/00/639962000.db2.gz ZGKLDPIDKYQODN-ZJUUUORDSA-N 1 0 210.277 0.826 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCCC2)C1 ZINC000930885977 639971333 /nfs/dbraw/zinc/97/13/33/639971333.db2.gz PJUDLQYURZHBGJ-CHWSQXEVSA-N 1 0 237.343 0.998 20 30 BCEDRO N#Cc1ccc(C2([NH2+]C[C@@H](O)CO)CCC2)cc1 ZINC000930888393 639974248 /nfs/dbraw/zinc/97/42/48/639974248.db2.gz YYOHAPXNYLUCRL-CYBMUJFWSA-N 1 0 246.310 0.880 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NN1CCCC[C@H]1C ZINC000912149436 639976932 /nfs/dbraw/zinc/97/69/32/639976932.db2.gz YZRRJDGTABEEML-OLZOCXBDSA-N 1 0 249.358 0.990 20 30 BCEDRO C[NH2+]C1(CNc2ccnc(C#N)c2)CCC1 ZINC000912185692 639990552 /nfs/dbraw/zinc/99/05/52/639990552.db2.gz LTGXTAMGJHUOBJ-UHFFFAOYSA-N 1 0 216.288 0.929 20 30 BCEDRO C[C@H]1C[NH+](C[C@H](O)CC#N)C[C@H](C)C1O ZINC000930995656 640013376 /nfs/dbraw/zinc/01/33/76/640013376.db2.gz LQWXWFDHKSASIH-LPEHRKFASA-N 1 0 212.293 0.210 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Nc1cnns1 ZINC000930997170 640016058 /nfs/dbraw/zinc/01/60/58/640016058.db2.gz IDCLKTGDZXEZLM-UHFFFAOYSA-N 1 0 239.304 0.225 20 30 BCEDRO C[C@@]12COC[C@@H]1C[N@H+](C[C@H](O)CC#N)C2 ZINC000931015073 640019757 /nfs/dbraw/zinc/01/97/57/640019757.db2.gz MGKDEORXYILPQE-HBNTYKKESA-N 1 0 210.277 0.229 20 30 BCEDRO C[NH+](C)CC(=O)NCCC#C[Si](C)(C)C ZINC000912332495 640023544 /nfs/dbraw/zinc/02/35/44/640023544.db2.gz QZKILPACWZSBKM-UHFFFAOYSA-N 1 0 226.396 0.935 20 30 BCEDRO CON=CC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912378924 640034092 /nfs/dbraw/zinc/03/40/92/640034092.db2.gz UEHKXVBMXZVMRF-LLVKDONJSA-N 1 0 225.292 0.219 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)N(CC)CC(=O)NC ZINC000912378819 640035043 /nfs/dbraw/zinc/03/50/43/640035043.db2.gz MYZOEWXGPCPCHL-JTQLQIEISA-N 1 0 241.335 0.265 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H]1C[C@H]1C(=O)OCC ZINC000931068278 640056246 /nfs/dbraw/zinc/05/62/46/640056246.db2.gz XSNHPKRIDRCSOF-IVZWLZJFSA-N 1 0 213.277 0.322 20 30 BCEDRO C[C@H](C#N)N(C(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000912411261 640056615 /nfs/dbraw/zinc/05/66/15/640056615.db2.gz NKJZOHSPLVSACJ-SNVBAGLBSA-N 1 0 233.315 0.985 20 30 BCEDRO C[C@H]1CC[N@H+](C[C@H](O)CC#N)C[C@@H]1CO ZINC000931099692 640064818 /nfs/dbraw/zinc/06/48/18/640064818.db2.gz IYFAODHVZGLFEC-HBNTYKKESA-N 1 0 212.293 0.211 20 30 BCEDRO C#CCONC(=O)[C@@H]1CCC[N@@H+](CCC)C1 ZINC000912449852 640079095 /nfs/dbraw/zinc/07/90/95/640079095.db2.gz DHDFVBRZYUVJNL-LLVKDONJSA-N 1 0 224.304 0.789 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H]2C[C@@]23CCOC3)CC1 ZINC000931153893 640080134 /nfs/dbraw/zinc/08/01/34/640080134.db2.gz NOOLRPKLCCBUJZ-CHWSQXEVSA-N 1 0 235.327 0.873 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)N[C@@H](C)C(=O)OC ZINC000912453207 640081996 /nfs/dbraw/zinc/08/19/96/640081996.db2.gz ZRLBPFPMUATZAA-IUCAKERBSA-N 1 0 228.292 0.348 20 30 BCEDRO C=CCN(Cc1ccccc1)C(=O)CNCC[NH3+] ZINC000912488419 640085236 /nfs/dbraw/zinc/08/52/36/640085236.db2.gz BLDQQRWGMUJWMV-UHFFFAOYSA-N 1 0 247.342 0.750 20 30 BCEDRO C=CC[N@H+]1CCCC[C@H]1CS(N)(=O)=O ZINC000931226348 640104674 /nfs/dbraw/zinc/10/46/74/640104674.db2.gz QGPSZVDIOJRDOL-VIFPVBQESA-N 1 0 218.322 0.315 20 30 BCEDRO C=CC(C)(C)C(=O)N(C)CC[N@H+](C)CCO ZINC000912599318 640120254 /nfs/dbraw/zinc/12/02/54/640120254.db2.gz NLTNOVREGFUDPV-UHFFFAOYSA-N 1 0 228.336 0.581 20 30 BCEDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C[C@H](O)CC#N ZINC000931389996 640174987 /nfs/dbraw/zinc/17/49/87/640174987.db2.gz NZOYITWXHUOAMG-OUAUKWLOSA-N 1 0 209.293 0.039 20 30 BCEDRO C=C[C@H](CO)NC(=O)C(=C)CC[NH+](C)C ZINC000912717394 640177711 /nfs/dbraw/zinc/17/77/11/640177711.db2.gz WQOXRDPYQLXXJS-SNVBAGLBSA-N 1 0 212.293 0.157 20 30 BCEDRO CN1CCN(C(=O)CC(C)(C)C#N)[C@@H](CO)C1 ZINC000912739313 640185195 /nfs/dbraw/zinc/18/51/95/640185195.db2.gz WHAHIBWULUQGTK-SNVBAGLBSA-N 1 0 239.319 0.061 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1Cc2c[nH]nc2[C@H](C)C1 ZINC000931456165 640211239 /nfs/dbraw/zinc/21/12/39/640211239.db2.gz SEZAMXLUBLKDSJ-ZJUUUORDSA-N 1 0 246.314 0.467 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912871464 640228483 /nfs/dbraw/zinc/22/84/83/640228483.db2.gz ULHTUNKDXMMION-ZDUSSCGKSA-N 1 0 238.331 0.620 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[C@@H]([NH+]3CCC3)C2)c[nH]1 ZINC000912911233 640235463 /nfs/dbraw/zinc/23/54/63/640235463.db2.gz DOQRFRISAVUNJZ-GFCCVEGCSA-N 1 0 244.298 0.807 20 30 BCEDRO C[C@@H]1CCC[N@H+](C[C@H](O)CC#N)[C@@H]1CO ZINC000931501745 640236425 /nfs/dbraw/zinc/23/64/25/640236425.db2.gz GUKMMSBVGLMTBW-GMTAPVOTSA-N 1 0 212.293 0.354 20 30 BCEDRO N#CCSCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912922358 640246659 /nfs/dbraw/zinc/24/66/59/640246659.db2.gz KAPUMXZXHOXLGI-SNVBAGLBSA-N 1 0 239.344 0.550 20 30 BCEDRO C#CCSCC(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904703 640249483 /nfs/dbraw/zinc/24/94/83/640249483.db2.gz WQMDYYQMZMECCG-LLVKDONJSA-N 1 0 238.356 0.659 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912905243 640249904 /nfs/dbraw/zinc/24/99/04/640249904.db2.gz ZAOZBBHQTOZHOB-GFCCVEGCSA-N 1 0 218.300 0.706 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000912904076 640250384 /nfs/dbraw/zinc/25/03/84/640250384.db2.gz VPHSPVRKIHFSLH-WDEREUQCSA-N 1 0 221.304 0.843 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(C[C@H](O)CC#N)CC[C@@H]21 ZINC000931545487 640262036 /nfs/dbraw/zinc/26/20/36/640262036.db2.gz FGYDGNVNFQPKGZ-TUAOUCFPSA-N 1 0 223.320 0.287 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000931549571 640271512 /nfs/dbraw/zinc/27/15/12/640271512.db2.gz MWKKEMUOVXNFIP-OUAUKWLOSA-N 1 0 226.345 0.946 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000931549565 640271662 /nfs/dbraw/zinc/27/16/62/640271662.db2.gz MWKKEMUOVXNFIP-GMTAPVOTSA-N 1 0 226.345 0.946 20 30 BCEDRO C#CCCN1CCN(c2n[nH]c(C)n2)CC1 ZINC000931626151 640296006 /nfs/dbraw/zinc/29/60/06/640296006.db2.gz BDSJSVLSYSCGPW-UHFFFAOYSA-N 1 0 219.292 0.258 20 30 BCEDRO C=C(Cl)CN1CCC(OC)(OC)[C@@H](O)C1 ZINC000931631276 640297075 /nfs/dbraw/zinc/29/70/75/640297075.db2.gz HJEMZTRTSHPGEG-VIFPVBQESA-N 1 0 235.711 0.795 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H](CF)C1 ZINC000931682049 640313272 /nfs/dbraw/zinc/31/32/72/640313272.db2.gz HCZPGTBHILRWQE-NXEZZACHSA-N 1 0 200.257 0.942 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@H]2CCCS2(=O)=O)C1 ZINC000931715539 640334260 /nfs/dbraw/zinc/33/42/60/640334260.db2.gz XKESSUKLLDTDMP-NWDGAFQWSA-N 1 0 241.356 0.909 20 30 BCEDRO C=CCC1(O)CC[NH+](CC[N+](=O)[O-])CC1 ZINC000931750225 640349152 /nfs/dbraw/zinc/34/91/52/640349152.db2.gz GGQUCUVTRANMRO-UHFFFAOYSA-N 1 0 214.265 0.666 20 30 BCEDRO CC[C@@H](CO)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N ZINC000931766296 640359670 /nfs/dbraw/zinc/35/96/70/640359670.db2.gz AEACZYGHUBJFRK-QWRGUYRKSA-N 1 0 241.335 0.355 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC(C)([NH+](C)C)CC1 ZINC000913390470 640362586 /nfs/dbraw/zinc/36/25/86/640362586.db2.gz SBTMBPHUXJRZBD-SNVBAGLBSA-N 1 0 226.320 0.476 20 30 BCEDRO C[C@@H]1CO[C@@H](C(=O)NCC#CC[NH+](C)C)C1 ZINC000913524874 640379916 /nfs/dbraw/zinc/37/99/16/640379916.db2.gz AAKKGUNECNIRQX-WDEREUQCSA-N 1 0 224.304 0.093 20 30 BCEDRO C[C@@H]1C[C@@H]1[C@H]1C[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913525017 640380048 /nfs/dbraw/zinc/38/00/48/640380048.db2.gz HEMIZYYQDRETSV-YVECIDJPSA-N 1 0 234.343 0.960 20 30 BCEDRO Cc1n[nH]c(C)c1CC(=O)NCC#CC[NH+](C)C ZINC000913516034 640380821 /nfs/dbraw/zinc/38/08/21/640380821.db2.gz XVRRWMYXMGYIKM-UHFFFAOYSA-N 1 0 248.330 0.250 20 30 BCEDRO CCC[C@@H](O)CC(=O)NCC#CC[NH+](C)C ZINC000913519889 640381783 /nfs/dbraw/zinc/38/17/83/640381783.db2.gz SVJCRTJJPAKMAG-LLVKDONJSA-N 1 0 226.320 0.219 20 30 BCEDRO C=C[C@@](C)(CC)C(=O)N1CCN(C)[C@H](CO)C1 ZINC000913544869 640392666 /nfs/dbraw/zinc/39/26/66/640392666.db2.gz OIDONNQZMCXAHF-AAEUAGOBSA-N 1 0 240.347 0.724 20 30 BCEDRO C#CC[NH+]1CCC([C@]2(C)COC(=O)N2)CC1 ZINC000932092410 640424408 /nfs/dbraw/zinc/42/44/08/640424408.db2.gz SHUDZJXNYKIILB-LBPRGKRZSA-N 1 0 222.288 0.830 20 30 BCEDRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@@H](C)C#N ZINC000044825400 640464800 /nfs/dbraw/zinc/46/48/00/640464800.db2.gz DERWCKWSCRCRJR-UWVGGRQHSA-N 1 0 211.309 0.848 20 30 BCEDRO C#CC[N@H+](C[C@H](O)C1(O)CCC1)C(C)C ZINC000932384527 640513382 /nfs/dbraw/zinc/51/33/82/640513382.db2.gz SHNPEZCJMCWESR-NSHDSACASA-N 1 0 211.305 0.606 20 30 BCEDRO C#CC[N@H+](C(C)C)[C@@H](C)C(=O)NC(=O)NCC ZINC000932392012 640516572 /nfs/dbraw/zinc/51/65/72/640516572.db2.gz WKLDPGZTQKDLEM-JTQLQIEISA-N 1 0 239.319 0.564 20 30 BCEDRO CC[N@H+](CCC(N)=O)Cc1ccc(C#N)o1 ZINC000932477934 640543242 /nfs/dbraw/zinc/54/32/42/640543242.db2.gz PSZVSYZBDQXDKB-UHFFFAOYSA-N 1 0 221.260 0.849 20 30 BCEDRO C=CCC[C@H](O)C[N@H+](CC)CCC(N)=O ZINC000932481148 640549734 /nfs/dbraw/zinc/54/97/34/640549734.db2.gz RGZSBTUOTLAGLV-JTQLQIEISA-N 1 0 214.309 0.511 20 30 BCEDRO C[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000932488635 640553956 /nfs/dbraw/zinc/55/39/56/640553956.db2.gz MXKUJEXGDURCNS-MXWKQRLJSA-N 1 0 226.320 0.912 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934663 640648825 /nfs/dbraw/zinc/64/88/25/640648825.db2.gz MWCVNHAYQTVYMV-BMQDGWLCSA-N 1 0 237.303 0.397 20 30 BCEDRO C#CCCC[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932938256 640649729 /nfs/dbraw/zinc/64/97/29/640649729.db2.gz ZECGBNOOWZMVQT-UHFFFAOYSA-N 1 0 206.289 0.882 20 30 BCEDRO C=CCCCC[N@H+]1CC[C@@H](CS(N)(=O)=O)C1 ZINC000932946866 640650139 /nfs/dbraw/zinc/65/01/39/640650139.db2.gz JCFQNBPMDSQHFS-LLVKDONJSA-N 1 0 246.376 0.953 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932953383 640653747 /nfs/dbraw/zinc/65/37/47/640653747.db2.gz XILFOQJJWLQUFN-MNOVXSKESA-N 1 0 244.360 0.399 20 30 BCEDRO C#CCOCCC(=O)N(C)C1CC[NH+](C)CC1 ZINC000157298954 640662224 /nfs/dbraw/zinc/66/22/24/640662224.db2.gz KJZGXKPRXUJYMZ-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C[C@@H]1C ZINC000947093528 640665067 /nfs/dbraw/zinc/66/50/67/640665067.db2.gz DKBFZRNOSQXPNR-JQWIXIFHSA-N 1 0 246.314 0.626 20 30 BCEDRO CCN(CC)C(=[NH2+])NCC(C)(C)C(=O)NC ZINC000157370015 640669563 /nfs/dbraw/zinc/66/95/63/640669563.db2.gz PSMVUSYDKSVSEB-UHFFFAOYSA-N 1 0 228.340 0.415 20 30 BCEDRO C#CCC1([NH2+]CCn2cnnn2)CCCCC1 ZINC000933263694 640692106 /nfs/dbraw/zinc/69/21/06/640692106.db2.gz NBVMUOKJIATDST-UHFFFAOYSA-N 1 0 233.319 0.989 20 30 BCEDRO C#CCC1([NH2+]Cc2nc(=O)n(C)[nH]2)CCCCC1 ZINC000933264855 640694520 /nfs/dbraw/zinc/69/45/20/640694520.db2.gz HOGHSCATVHUQOB-UHFFFAOYSA-N 1 0 248.330 0.924 20 30 BCEDRO C#CCC1([NH2+]C[C@H](O)CC(=O)OCC)CCC1 ZINC000933294121 640698898 /nfs/dbraw/zinc/69/88/98/640698898.db2.gz GKXSGBXWJDLEHN-LLVKDONJSA-N 1 0 239.315 0.836 20 30 BCEDRO C#CCC1([NH2+]CCN2C(=O)N[C@H](C)C2=O)CCC1 ZINC000933295064 640700340 /nfs/dbraw/zinc/70/03/40/640700340.db2.gz PELBINGZIKRWPA-SNVBAGLBSA-N 1 0 249.314 0.462 20 30 BCEDRO C#CCC1([NH2+]Cc2nncn2C)CCC1 ZINC000933299312 640702396 /nfs/dbraw/zinc/70/23/96/640702396.db2.gz RHDHFCNMBPRCJJ-UHFFFAOYSA-N 1 0 204.277 0.851 20 30 BCEDRO C#CCC1([NH2+][C@H]2CCCNC2=O)CCC1 ZINC000933299547 640702627 /nfs/dbraw/zinc/70/26/27/640702627.db2.gz UHRASMNBTXVTFV-JTQLQIEISA-N 1 0 206.289 0.801 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)C1CC1 ZINC000167154683 640703914 /nfs/dbraw/zinc/70/39/14/640703914.db2.gz ULDMYUAOZLEKDK-LLVKDONJSA-N 1 0 208.305 0.904 20 30 BCEDRO N#CCNC(=O)C[NH2+]C1([C@H]2CCCCO2)CC1 ZINC000933378430 640710781 /nfs/dbraw/zinc/71/07/81/640710781.db2.gz UHQCAKSPIDXHOX-SNVBAGLBSA-N 1 0 237.303 0.317 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933394535 640714412 /nfs/dbraw/zinc/71/44/12/640714412.db2.gz WICHYFDHLLFPGS-GXFFZTMASA-N 1 0 234.299 0.037 20 30 BCEDRO C=CC[C@H](C)[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933719399 640750553 /nfs/dbraw/zinc/75/05/53/640750553.db2.gz CMLVRJWGHVDNAW-GARJFASQSA-N 1 0 229.345 0.927 20 30 BCEDRO C#CCOCC[N@@H+](CC)CCC(=O)NC ZINC000933861302 640772565 /nfs/dbraw/zinc/77/25/65/640772565.db2.gz ZEOCDTXRMFGFII-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO CC#CCC[N@@H+]1CCO[C@@H]2COCC[C@@H]21 ZINC000933965176 640795343 /nfs/dbraw/zinc/79/53/43/640795343.db2.gz ASNYMHYBAKWWDG-NWDGAFQWSA-N 1 0 209.289 0.890 20 30 BCEDRO C=C(C)COCC[NH2+]CCS(=O)(=O)CC ZINC000168700871 640822274 /nfs/dbraw/zinc/82/22/74/640822274.db2.gz QWCLBCLTYYRBHU-UHFFFAOYSA-N 1 0 235.349 0.603 20 30 BCEDRO C[C@H](CNC(=[NH2+])N(C)C)Cn1cccn1 ZINC000170906982 640935714 /nfs/dbraw/zinc/93/57/14/640935714.db2.gz JIDUCPRSBVWCPW-SECBINFHSA-N 1 0 209.297 0.396 20 30 BCEDRO CCN(CC)C(=[NH2+])NCC(=O)NC(C)C ZINC000170908375 640937288 /nfs/dbraw/zinc/93/72/88/640937288.db2.gz DTNGEFAFAUWSGK-UHFFFAOYSA-N 1 0 214.313 0.168 20 30 BCEDRO CCCCNC(=[NH2+])NCC(=O)NC(C)C ZINC000170908357 640937412 /nfs/dbraw/zinc/93/74/12/640937412.db2.gz HVDYMZIVQGNHGR-UHFFFAOYSA-N 1 0 214.313 0.215 20 30 BCEDRO CN(C)C(=[NH2+])NCCC(=O)N1CCCCCC1 ZINC000170913382 640938221 /nfs/dbraw/zinc/93/82/21/640938221.db2.gz RPQATDPBRSOGSB-UHFFFAOYSA-N 1 0 240.351 0.655 20 30 BCEDRO C=C[C@@H](C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000229247054 640940963 /nfs/dbraw/zinc/94/09/63/640940963.db2.gz VFAGNHNHKNZQJB-BDAKNGLRSA-N 1 0 218.322 0.232 20 30 BCEDRO C=C[C@@H](C)NS(=O)(=O)CC1CC[NH2+]CC1 ZINC000229246759 640941557 /nfs/dbraw/zinc/94/15/57/640941557.db2.gz RHAWPTZQJSMUBD-SECBINFHSA-N 1 0 232.349 0.480 20 30 BCEDRO C#C[C@@H](CC)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000229532069 640964042 /nfs/dbraw/zinc/96/40/42/640964042.db2.gz JEDBBFIKVOEYBP-VHSXEESVSA-N 1 0 215.318 0.565 20 30 BCEDRO C[NH+]=C(NCCCC(=O)N(C)C)NC1CC1 ZINC000171410872 640973676 /nfs/dbraw/zinc/97/36/76/640973676.db2.gz FWQZQCOCTIVQDO-UHFFFAOYSA-N 1 0 226.324 0.182 20 30 BCEDRO Cc1cccnc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000171539922 640988073 /nfs/dbraw/zinc/98/80/73/640988073.db2.gz QXYFNKDIWZIYHX-LLVKDONJSA-N 1 0 248.330 0.973 20 30 BCEDRO C=C(C)C[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934219415 641104748 /nfs/dbraw/zinc/10/47/48/641104748.db2.gz JLVSZJWBTMDFOI-LLVKDONJSA-N 1 0 222.292 0.293 20 30 BCEDRO N#CCCNC(=O)C[NH2+][C@H](CO)c1ccccc1 ZINC000063002977 641117643 /nfs/dbraw/zinc/11/76/43/641117643.db2.gz PNLPIFHSCJMIHP-GFCCVEGCSA-N 1 0 247.298 0.339 20 30 BCEDRO N#CCCNC(=O)C[NH2+][C@@H](CO)c1ccccc1 ZINC000063002978 641118360 /nfs/dbraw/zinc/11/83/60/641118360.db2.gz PNLPIFHSCJMIHP-LBPRGKRZSA-N 1 0 247.298 0.339 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cccn2C)C1 ZINC000971086540 641149879 /nfs/dbraw/zinc/14/98/79/641149879.db2.gz RREUFXYWZHRDQG-GFCCVEGCSA-N 1 0 245.326 0.805 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](O)CN(C)CCOC ZINC000934464072 641150626 /nfs/dbraw/zinc/15/06/26/641150626.db2.gz MCLAEJNBUSOOMQ-OLZOCXBDSA-N 1 0 242.363 0.576 20 30 BCEDRO COC1(CNC(=[NH2+])NC(C)(C)C)CCOCC1 ZINC000160616231 641153312 /nfs/dbraw/zinc/15/33/12/641153312.db2.gz WNQYAJNURODIME-UHFFFAOYSA-N 1 0 243.351 0.885 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCCS(=O)(=O)N(C)C ZINC000934468772 641160350 /nfs/dbraw/zinc/16/03/50/641160350.db2.gz JCNGDIMZTYHNLG-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CC[C@H](OCC)C2)C1=O ZINC000932974091 641168572 /nfs/dbraw/zinc/16/85/72/641168572.db2.gz MMNCGGIWMUJXGP-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1C[C@H](O)Cn1cccn1 ZINC000934511850 641178658 /nfs/dbraw/zinc/17/86/58/641178658.db2.gz VHKGYXCBWKGEFP-STQMWFEESA-N 1 0 233.315 0.732 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1CCCS(=O)(=O)NC ZINC000934512555 641180828 /nfs/dbraw/zinc/18/08/28/641180828.db2.gz QILBLBRBGJKELR-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000971169040 641205964 /nfs/dbraw/zinc/20/59/64/641205964.db2.gz LVNUZFHHHAOYMK-LLVKDONJSA-N 1 0 247.298 0.763 20 30 BCEDRO C[C@@H]1CC=CC[C@H]1[NH2+]CC(=O)NCCC#N ZINC000934627657 641222973 /nfs/dbraw/zinc/22/29/73/641222973.db2.gz AXOYXROPJKLZDV-GHMZBOCLSA-N 1 0 221.304 0.961 20 30 BCEDRO C=CCCC[N@@H+](CC)CC(=O)NCC#N ZINC000934645096 641227429 /nfs/dbraw/zinc/22/74/29/641227429.db2.gz BPFGEIIEKRFSFM-UHFFFAOYSA-N 1 0 209.293 0.914 20 30 BCEDRO C#CCCCNC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000174354916 641279128 /nfs/dbraw/zinc/27/91/28/641279128.db2.gz VRIKFWWRIHEMPG-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1Cc2c[nH]nc2[C@@H](C)C1 ZINC000913587403 641351564 /nfs/dbraw/zinc/35/15/64/641351564.db2.gz PYCZFFJHXBIRNQ-VIFPVBQESA-N 1 0 248.330 0.973 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCC[C@H](C)OC ZINC000730283748 641366710 /nfs/dbraw/zinc/36/67/10/641366710.db2.gz OBZZHPWQICMNGC-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C1CC[NH+](C[C@H](O)C2(O)CCC2)CC1 ZINC000929602892 641374276 /nfs/dbraw/zinc/37/42/76/641374276.db2.gz FMUPXUIWJDSWBH-NSHDSACASA-N 1 0 211.305 0.914 20 30 BCEDRO CN1CC[NH+]=C1NCC[C@H]1CCCCO1 ZINC000261533249 641430421 /nfs/dbraw/zinc/43/04/21/641430421.db2.gz KNDIPWUKDHUNEJ-SNVBAGLBSA-N 1 0 211.309 0.837 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NC12CC[NH+](CC1)C2 ZINC000913629539 641432914 /nfs/dbraw/zinc/43/29/14/641432914.db2.gz CQFDSOIQDZSPRV-LBPRGKRZSA-N 1 0 247.342 0.048 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC12CC[NH+](CC1)C2 ZINC000913628501 641433011 /nfs/dbraw/zinc/43/30/11/641433011.db2.gz GADLHMAHSKFHFH-NSHDSACASA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC000935608181 641445626 /nfs/dbraw/zinc/44/56/26/641445626.db2.gz ROOASEFGSQSDQL-UHFFFAOYSA-N 1 0 224.304 0.189 20 30 BCEDRO C=C[C@H](CC)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000935982586 641512907 /nfs/dbraw/zinc/51/29/07/641512907.db2.gz ZWUBPBCXKHROQJ-GHMZBOCLSA-N 1 0 228.336 0.627 20 30 BCEDRO CC#CCN1CC(NC(=O)C[N@@H+]2CC[C@H](C)C2)C1 ZINC001030958778 641523484 /nfs/dbraw/zinc/52/34/84/641523484.db2.gz UHZOFMOXKFNLOJ-LBPRGKRZSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H]1CCC2(COC2)O1 ZINC000929785693 641556995 /nfs/dbraw/zinc/55/69/95/641556995.db2.gz CNYNUKJVDWCWPU-LLVKDONJSA-N 1 0 209.289 0.890 20 30 BCEDRO Cc1cc(C#N)cc(N(C)C2C[NH2+]C2)n1 ZINC000157686315 641622926 /nfs/dbraw/zinc/62/29/26/641622926.db2.gz XTSZCKULSCLCRY-UHFFFAOYSA-N 1 0 202.261 0.670 20 30 BCEDRO C#CCN1CC(NC(=O)CC2CC[NH+](C)CC2)C1 ZINC001031050508 641658095 /nfs/dbraw/zinc/65/80/95/641658095.db2.gz NUPKSGIUMRYDRR-UHFFFAOYSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)C2CC2)[C@@H]1C ZINC000992972746 641687315 /nfs/dbraw/zinc/68/73/15/641687315.db2.gz FHCGMSDEUXWOFX-CMPLNLGQSA-N 1 0 220.316 0.999 20 30 BCEDRO C=CC[N@@H+](CCNS(C)(=O)=O)C(C)C ZINC000730567535 641704359 /nfs/dbraw/zinc/70/43/59/641704359.db2.gz HPQCNRYYAMUCDB-UHFFFAOYSA-N 1 0 220.338 0.432 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](C(C)C)CC1 ZINC000195226138 641714497 /nfs/dbraw/zinc/71/44/97/641714497.db2.gz SWSSSFBQDMOWAF-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)c2ccon2)[C@H]1C ZINC000993053567 641718181 /nfs/dbraw/zinc/71/81/81/641718181.db2.gz PREUGNHWTSGPCA-GHMZBOCLSA-N 1 0 247.298 0.891 20 30 BCEDRO C[NH+]=C(NCCN1CCCOCC1)NC1CC1 ZINC000187844330 641727383 /nfs/dbraw/zinc/72/73/83/641727383.db2.gz AZVHSGYLTHXPNH-UHFFFAOYSA-N 1 0 240.351 0.036 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925415213 641733755 /nfs/dbraw/zinc/73/37/55/641733755.db2.gz DRWMINNPDKOXTG-NXEZZACHSA-N 1 0 209.293 0.354 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C[C@@H]1C ZINC000947485183 641740198 /nfs/dbraw/zinc/74/01/98/641740198.db2.gz VOMFKZRJZZGKIJ-UWVGGRQHSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C[C@@H]1C ZINC000947485227 641741436 /nfs/dbraw/zinc/74/14/36/641741436.db2.gz WQOSFYBFEZANKZ-UWVGGRQHSA-N 1 0 247.302 0.021 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)c2cnco2)C[C@H]1C ZINC000947584759 641746765 /nfs/dbraw/zinc/74/67/65/641746765.db2.gz LUVQNPPZMOHXFQ-MNOVXSKESA-N 1 0 247.298 0.891 20 30 BCEDRO NC(=[NH2+])NN=Cc1c[nH]nc1-c1cccnc1 ZINC000915049523 641793743 /nfs/dbraw/zinc/79/37/43/641793743.db2.gz TVRFRRMOWXVTSY-UHFFFAOYSA-N 1 0 229.247 0.289 20 30 BCEDRO Cc1nc(C=NNC(N)=[NH2+])c2ccccn12 ZINC000915049822 641793930 /nfs/dbraw/zinc/79/39/30/641793930.db2.gz YOCSHHGQMRWXAJ-UHFFFAOYSA-N 1 0 216.248 0.460 20 30 BCEDRO Cc1ccc(C)c2c1NC(=O)C2=NNC(N)=[NH2+] ZINC000915048460 641794569 /nfs/dbraw/zinc/79/45/69/641794569.db2.gz FMPBNHMKGCJLGE-UHFFFAOYSA-N 1 0 231.259 0.443 20 30 BCEDRO CC(C)(C)NC(=[NH2+])N[C@H]1C[C@@H](O)C1(C)C ZINC000189263774 641796780 /nfs/dbraw/zinc/79/67/80/641796780.db2.gz PZGOFDMAHBOIMM-JGVFFNPUSA-N 1 0 213.325 0.849 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N1CCC[N@@H+](C)CC1 ZINC000732306426 641828885 /nfs/dbraw/zinc/82/88/85/641828885.db2.gz SQFWMHCISWBDEF-ZDUSSCGKSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)c2ccccn2)C1 ZINC000923597338 641854068 /nfs/dbraw/zinc/85/40/68/641854068.db2.gz NPUKUKPAYWGVLC-GFCCVEGCSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CCN1CC(N(CC)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000949794107 641861080 /nfs/dbraw/zinc/86/10/80/641861080.db2.gz UPVBOVNFVFVTJF-ZDUSSCGKSA-N 1 0 249.358 0.247 20 30 BCEDRO CCOC(=O)C[C@H](C)CNC(NC1CC1)=[NH+]C ZINC000089585139 641861644 /nfs/dbraw/zinc/86/16/44/641861644.db2.gz IONGNPJPJGSAGL-VIFPVBQESA-N 1 0 241.335 0.903 20 30 BCEDRO CC#CCN[C@@H](C)c1nnnn1C1CC1 ZINC000190652751 641878456 /nfs/dbraw/zinc/87/84/56/641878456.db2.gz QQXNBBAMCODDPO-QMMMGPOBSA-N 1 0 205.265 0.682 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H](NC(=O)C(N)=O)[C@H]1C ZINC000993735453 641878683 /nfs/dbraw/zinc/87/86/83/641878683.db2.gz WDTYPAGLKYYCPN-NXEZZACHSA-N 1 0 239.319 0.017 20 30 BCEDRO Cn1cc(C=NNCC[NH+]2CCCCC2)cn1 ZINC000915973810 641891552 /nfs/dbraw/zinc/89/15/52/641891552.db2.gz MWPJUEPFZJVOFJ-UHFFFAOYSA-N 1 0 235.335 0.830 20 30 BCEDRO Cc1nn(C[C@@H]2CCC[N@H+]2C)c(=O)c(C#N)c1C ZINC000916275340 641925438 /nfs/dbraw/zinc/92/54/38/641925438.db2.gz WOQBBFWCABLDQA-NSHDSACASA-N 1 0 246.314 0.826 20 30 BCEDRO C=CC[N@@H+](CCC(=O)NC(N)=O)C(C)C ZINC000917167894 642022613 /nfs/dbraw/zinc/02/26/13/642022613.db2.gz GWNLCORSHUIXET-UHFFFAOYSA-N 1 0 213.281 0.468 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cccnc2)C1 ZINC001031512407 642241172 /nfs/dbraw/zinc/24/11/72/642241172.db2.gz NAEYNKFUDJQHOJ-UHFFFAOYSA-N 1 0 231.299 0.929 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CCCO2)C1 ZINC001031526302 642271869 /nfs/dbraw/zinc/27/18/69/642271869.db2.gz QKJNWDUQLZKIME-LLVKDONJSA-N 1 0 224.304 0.399 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2ccc[nH]2)C1 ZINC001031545033 642290040 /nfs/dbraw/zinc/29/00/40/642290040.db2.gz XULHUXFEVADQSI-UHFFFAOYSA-N 1 0 231.299 0.700 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccncc2)C1 ZINC001021774146 642320739 /nfs/dbraw/zinc/32/07/39/642320739.db2.gz LHYRSGSLHQSGLP-TXEJJXNPSA-N 1 0 229.283 0.565 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2ccnn2C)C1 ZINC001031570094 642321050 /nfs/dbraw/zinc/32/10/50/642321050.db2.gz OHKXLMHMUHRPSH-UHFFFAOYSA-N 1 0 248.330 0.658 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2ccnn2C)C1 ZINC001031569888 642324990 /nfs/dbraw/zinc/32/49/90/642324990.db2.gz JWBPIBLOLQJVGR-UHFFFAOYSA-N 1 0 248.330 0.658 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC000971246403 642331508 /nfs/dbraw/zinc/33/15/08/642331508.db2.gz NUMBEHPALUVDQJ-GFCCVEGCSA-N 1 0 248.330 0.671 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnc(C)cn2)C1 ZINC001021791727 642337535 /nfs/dbraw/zinc/33/75/35/642337535.db2.gz VHUXKNAFBXWIQM-PHIMTYICSA-N 1 0 244.298 0.269 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cn(C)nc2C)C1 ZINC001031585685 642338513 /nfs/dbraw/zinc/33/85/13/642338513.db2.gz IJOYVDXKGXZXKN-UHFFFAOYSA-N 1 0 248.330 0.576 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cnn(CC)c2)C1 ZINC001031587720 642340516 /nfs/dbraw/zinc/34/05/16/642340516.db2.gz QHMOKDCSRYFPNF-UHFFFAOYSA-N 1 0 248.330 0.751 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC001021808368 642353117 /nfs/dbraw/zinc/35/31/17/642353117.db2.gz XOMWOLLPIOIBKT-OUAUKWLOSA-N 1 0 224.304 0.588 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)c2)C1 ZINC001021821412 642372317 /nfs/dbraw/zinc/37/23/17/642372317.db2.gz LQWYKILIHIXWGS-TXEJJXNPSA-N 1 0 248.330 0.847 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2CCCCO2)C1 ZINC001031610265 642375756 /nfs/dbraw/zinc/37/57/56/642375756.db2.gz DFTRMZTVCXKDMQ-GFCCVEGCSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2cn(C)cn2)C1 ZINC001031615185 642386914 /nfs/dbraw/zinc/38/69/14/642386914.db2.gz IHAGIOMICMUNFK-UHFFFAOYSA-N 1 0 248.330 0.658 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1CCNC(=O)CC1 ZINC000307505096 642402237 /nfs/dbraw/zinc/40/22/37/642402237.db2.gz KVQRTKGFUKAMHI-MRVPVSSYSA-N 1 0 202.685 0.997 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001021886084 642435008 /nfs/dbraw/zinc/43/50/08/642435008.db2.gz MMMQRYIRULPGRO-SDDRHHMPSA-N 1 0 236.315 0.283 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001021902200 642446849 /nfs/dbraw/zinc/44/68/49/642446849.db2.gz MHJKGPPCOZARCY-AOOOYVTPSA-N 1 0 234.303 0.755 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ocnc2C)C1 ZINC001021940427 642462428 /nfs/dbraw/zinc/46/24/28/642462428.db2.gz QPBRAFXNXPIXSN-AOOOYVTPSA-N 1 0 233.271 0.467 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001021936866 642463535 /nfs/dbraw/zinc/46/35/35/642463535.db2.gz RFLSYHYVXLGSER-JLLWLGSASA-N 1 0 220.316 0.903 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001021977580 642480462 /nfs/dbraw/zinc/48/04/62/642480462.db2.gz WFYKJJFRNDEMQK-OUAUKWLOSA-N 1 0 220.316 0.903 20 30 BCEDRO COc1cc(C)cc2c1OCCC2=NNC(N)=[NH2+] ZINC000920374819 642483891 /nfs/dbraw/zinc/48/38/91/642483891.db2.gz BBPAUSWWGKPEJA-UHFFFAOYSA-N 1 0 248.286 0.973 20 30 BCEDRO C#CCC1([NH2+][C@@H]2CCN(OC)C2=O)CCC1 ZINC000933292761 642486726 /nfs/dbraw/zinc/48/67/26/642486726.db2.gz CTTRGTWTBBREAZ-SNVBAGLBSA-N 1 0 222.288 0.684 20 30 BCEDRO C#CCC1([NH2+]CCn2cnnn2)CCC1 ZINC000933293102 642488617 /nfs/dbraw/zinc/48/86/17/642488617.db2.gz HXYHZRICSSBOHO-UHFFFAOYSA-N 1 0 205.265 0.209 20 30 BCEDRO C#CCCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000920417636 642490902 /nfs/dbraw/zinc/49/09/02/642490902.db2.gz JNKRIYQRMFLQHP-ZDUSSCGKSA-N 1 0 222.332 0.806 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001031658782 642492500 /nfs/dbraw/zinc/49/25/00/642492500.db2.gz WZYKWMPWMFEBRV-UHFFFAOYSA-N 1 0 232.287 0.095 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ncccc2O)C1 ZINC001021998683 642495300 /nfs/dbraw/zinc/49/53/00/642495300.db2.gz GCUQQTXFRYGBBS-AOOOYVTPSA-N 1 0 247.298 0.824 20 30 BCEDRO C#CCC1([NH2+]C[C@](C)(O)C(=O)OCC)CCC1 ZINC000933296160 642502868 /nfs/dbraw/zinc/50/28/68/642502868.db2.gz DPVFHAJHULJTOC-LBPRGKRZSA-N 1 0 239.315 0.836 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001022002329 642509793 /nfs/dbraw/zinc/50/97/93/642509793.db2.gz DOFXBAREXRSWDY-AOOOYVTPSA-N 1 0 233.271 0.467 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccnn2CC)C1 ZINC001022004167 642515304 /nfs/dbraw/zinc/51/53/04/642515304.db2.gz QWLQITVEZCUYRA-PHIMTYICSA-N 1 0 246.314 0.387 20 30 BCEDRO [NH2+]=C(NCCc1cnccn1)NC1CC1 ZINC000263107237 642547945 /nfs/dbraw/zinc/54/79/45/642547945.db2.gz ACQULYBMFBPIND-UHFFFAOYSA-N 1 0 205.265 0.086 20 30 BCEDRO CC#CCN1CC(CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001031685834 642578748 /nfs/dbraw/zinc/57/87/48/642578748.db2.gz FRQAJHPJJOWPMA-JSGCOSHPSA-N 1 0 248.326 0.094 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)OCCOC)CC1 ZINC000921436998 642624191 /nfs/dbraw/zinc/62/41/91/642624191.db2.gz JTBUWGXDEBATHA-UHFFFAOYSA-N 1 0 240.303 0.457 20 30 BCEDRO C=C(C)COCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000305037933 642631639 /nfs/dbraw/zinc/63/16/39/642631639.db2.gz BUNWVUQESASQPZ-LLVKDONJSA-N 1 0 241.335 0.662 20 30 BCEDRO CN(C)C(=[NH+]CCCO[C@H]1CCOC1)N(C)C ZINC000305004803 642631649 /nfs/dbraw/zinc/63/16/49/642631649.db2.gz IJPCYJZWGMZRQD-NSHDSACASA-N 1 0 243.351 0.661 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000305013640 642632001 /nfs/dbraw/zinc/63/20/01/642632001.db2.gz LFOZLGFCPWLHPU-JTQLQIEISA-N 1 0 243.351 0.885 20 30 BCEDRO CNC(=[NH2+])NCCc1nc(C)c(C)s1 ZINC000305058964 642635538 /nfs/dbraw/zinc/63/55/38/642635538.db2.gz IESGUXXIKRPAMV-UHFFFAOYSA-N 1 0 212.322 0.837 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC(C)(C)C(=O)NC ZINC000305198624 642647683 /nfs/dbraw/zinc/64/76/83/642647683.db2.gz LZGCMQXKZGYIOW-MRVPVSSYSA-N 1 0 228.340 0.461 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC1(OC)CCOCC1 ZINC000305230857 642648098 /nfs/dbraw/zinc/64/80/98/642648098.db2.gz YAUKCOQGRFXKOA-SNVBAGLBSA-N 1 0 243.351 0.885 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C ZINC000961471352 642690368 /nfs/dbraw/zinc/69/03/68/642690368.db2.gz SCLLJELXEVEJMW-JCIQBVFBSA-N 1 0 218.300 0.322 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC000961554711 642696206 /nfs/dbraw/zinc/69/62/06/642696206.db2.gz RFVDBDJLSCNXCP-LDTYRUFESA-N 1 0 248.326 0.111 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1cnoc1 ZINC000961563742 642696801 /nfs/dbraw/zinc/69/68/01/642696801.db2.gz GEYYYBMLIMVLME-PJXYFTJBSA-N 1 0 247.298 0.450 20 30 BCEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])N(C)C1CC1 ZINC000305814542 642701953 /nfs/dbraw/zinc/70/19/53/642701953.db2.gz LJDLLSZBKJXXEJ-UHFFFAOYSA-N 1 0 240.351 0.558 20 30 BCEDRO COC(=O)[C@H](C)CNC(=[NH2+])N(C)C1CC1 ZINC000305811771 642702592 /nfs/dbraw/zinc/70/25/92/642702592.db2.gz JSKUZGWZKUSEBS-SSDOTTSWSA-N 1 0 213.281 0.204 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCCOCCO ZINC000305828768 642703179 /nfs/dbraw/zinc/70/31/79/642703179.db2.gz DCDFGHQDMDNTMV-UHFFFAOYSA-N 1 0 231.340 0.336 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC2(CC2)C1 ZINC000961751595 642703441 /nfs/dbraw/zinc/70/34/41/642703441.db2.gz HHYGQXRVMHQMHZ-ITGUQSILSA-N 1 0 244.338 0.856 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1nnc[nH]1 ZINC000962086208 642715367 /nfs/dbraw/zinc/71/53/67/642715367.db2.gz PPAYRQAPJUYEED-MYJAWHEDSA-N 1 0 247.302 0.041 20 30 BCEDRO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnon1 ZINC000962099322 642715588 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ZINC000966804406 642791435 /nfs/dbraw/zinc/79/14/35/642791435.db2.gz IGDVOIPTRHUROO-SECBINFHSA-N 1 0 214.334 0.726 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CSC)C1 ZINC000966803555 642792613 /nfs/dbraw/zinc/79/26/13/642792613.db2.gz FDHOJMVDHVCASC-SECBINFHSA-N 1 0 212.318 0.173 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2C)C1 ZINC000967195184 642796438 /nfs/dbraw/zinc/79/64/38/642796438.db2.gz XTEQLIJQXBCBHG-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnsn2)C1 ZINC000967311326 642797445 /nfs/dbraw/zinc/79/74/45/642797445.db2.gz TWXUJUWYRCRINZ-MRVPVSSYSA-N 1 0 238.316 0.528 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cc(CC)n[nH]2)C1 ZINC000967263285 642798469 /nfs/dbraw/zinc/79/84/69/642798469.db2.gz HPWWBVSOFLNOFA-LLVKDONJSA-N 1 0 248.330 0.962 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC000967421477 642799337 /nfs/dbraw/zinc/79/93/37/642799337.db2.gz WJEGJVSFGHQFRF-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncoc2C)C1 ZINC000967526679 642801248 /nfs/dbraw/zinc/80/12/48/642801248.db2.gz LPHLDVDQOJQMLY-SNVBAGLBSA-N 1 0 233.271 0.420 20 30 BCEDRO CC(C)[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC000967729479 642803185 /nfs/dbraw/zinc/80/31/85/642803185.db2.gz QLYKYVNPYFWXAA-VHSXEESVSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[C@@H]([NH2+]CCF)C1 ZINC000967943823 642805183 /nfs/dbraw/zinc/80/51/83/642805183.db2.gz LZTBNZBMNIHHJK-DTWKUNHWSA-N 1 0 213.256 0.306 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC000968178472 642805735 /nfs/dbraw/zinc/80/57/35/642805735.db2.gz ZETCJNAHEARIET-NWDGAFQWSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2[C@@H]3CCC[C@@H]32)C1 ZINC000968338307 642807927 /nfs/dbraw/zinc/80/79/27/642807927.db2.gz NVFBYPNZUPMGEX-NDBYEHHHSA-N 1 0 232.327 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000968340821 642808001 /nfs/dbraw/zinc/80/80/01/642808001.db2.gz CFYRGYDIYYNYLK-LLVKDONJSA-N 1 0 242.282 0.324 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)/C=C/C2CC2)C1 ZINC000968317700 642808200 /nfs/dbraw/zinc/80/82/00/642808200.db2.gz YRXQRSQLNXXKOZ-BTDICHCPSA-N 1 0 218.300 0.776 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC2(C)C)C1 ZINC000968406590 642809474 /nfs/dbraw/zinc/80/94/74/642809474.db2.gz OQNBMPFVNCYYTC-GHMZBOCLSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2=CCCC2)C1 ZINC000968396794 642809945 /nfs/dbraw/zinc/80/99/45/642809945.db2.gz AUUBQXHLVVIJRO-GFCCVEGCSA-N 1 0 218.300 0.920 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CCCCO2)C1 ZINC000968425418 642811574 /nfs/dbraw/zinc/81/15/74/642811574.db2.gz INTMDMMEXYDXMN-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nccn2CC)C1 ZINC000968528216 642812380 /nfs/dbraw/zinc/81/23/80/642812380.db2.gz OBZVQYIAEKMPPS-LLVKDONJSA-N 1 0 246.314 0.340 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCc2ncc[nH]2)C1 ZINC000968537364 642812499 /nfs/dbraw/zinc/81/24/99/642812499.db2.gz SQTDUWJROJUOGS-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ncccc2O)C1 ZINC000968478240 642813340 /nfs/dbraw/zinc/81/33/40/642813340.db2.gz KJQBWVVAFRYZHW-SNVBAGLBSA-N 1 0 247.298 0.777 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CC2(O)CCC2)C1 ZINC000968629865 642816125 /nfs/dbraw/zinc/81/61/25/642816125.db2.gz NJLCMYOEROCYKR-LLVKDONJSA-N 1 0 236.315 0.115 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)C1 ZINC000968592857 642816390 /nfs/dbraw/zinc/81/63/90/642816390.db2.gz PVWTXRZGQBZUFI-SNVBAGLBSA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2ccn[nH]2)C1 ZINC001006808599 642824768 /nfs/dbraw/zinc/82/47/68/642824768.db2.gz VCZZUJXIVDISQC-SNVBAGLBSA-N 1 0 234.303 0.790 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001010040790 642848199 /nfs/dbraw/zinc/84/81/99/642848199.db2.gz ZFUAIFHNVZOCHQ-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(=O)[nH]n2)C1 ZINC001009969334 642848772 /nfs/dbraw/zinc/84/87/72/642848772.db2.gz CDPKTXXWOWXDDF-SECBINFHSA-N 1 0 248.286 0.172 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cnc(C)cn2)C1 ZINC001009995786 642849024 /nfs/dbraw/zinc/84/90/24/642849024.db2.gz UJTSZLRQQYOQNK-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2CO[C@H](C)C2)C1 ZINC001031789222 642849147 /nfs/dbraw/zinc/84/91/47/642849147.db2.gz MLSUDSMOZHLBNX-PWSUYJOCSA-N 1 0 238.331 0.645 20 30 BCEDRO C=CCNC(=S)NCCC[NH+](C)C ZINC000013820743 642877768 /nfs/dbraw/zinc/87/77/68/642877768.db2.gz AVNMQGODHKUVMM-UHFFFAOYSA-N 1 0 201.339 0.588 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010361931 642859781 /nfs/dbraw/zinc/85/97/81/642859781.db2.gz TVQSXUYFHTVJJT-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCOC2)C1 ZINC001010349406 642859917 /nfs/dbraw/zinc/85/99/17/642859917.db2.gz KKYMMKHINDCACT-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C ZINC000939284854 642862377 /nfs/dbraw/zinc/86/23/77/642862377.db2.gz DJVMELSCPATVIG-MWLCHTKSSA-N 1 0 248.330 0.954 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C ZINC000939288323 642862889 /nfs/dbraw/zinc/86/28/89/642862889.db2.gz ZHERCLGQZLLPAM-MWLCHTKSSA-N 1 0 246.314 0.401 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001010379969 642863151 /nfs/dbraw/zinc/86/31/51/642863151.db2.gz NYNYAYLUXNAIOG-SNVBAGLBSA-N 1 0 234.303 0.708 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001010387435 642863709 /nfs/dbraw/zinc/86/37/09/642863709.db2.gz GJBSKESDHCDNHO-GFCCVEGCSA-N 1 0 249.314 0.984 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC000939338542 642864940 /nfs/dbraw/zinc/86/49/40/642864940.db2.gz PZIHHLQNZBGLEL-UWVGGRQHSA-N 1 0 249.318 0.431 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)C2=CCOCC2)C1 ZINC001010721235 642872142 /nfs/dbraw/zinc/87/21/42/642872142.db2.gz PJVVYVHBIGFIMT-CYBMUJFWSA-N 1 0 248.326 0.547 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cnnc(C)c2)C1 ZINC001010757029 642873104 /nfs/dbraw/zinc/87/31/04/642873104.db2.gz GVHLOZBAFBEIHW-GFCCVEGCSA-N 1 0 246.314 0.775 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cnnn2CC)C1 ZINC001010859265 642875316 /nfs/dbraw/zinc/87/53/16/642875316.db2.gz XPVDZTQRMFOYPV-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1(CO)CCC1 ZINC000181502415 642878535 /nfs/dbraw/zinc/87/85/35/642878535.db2.gz KOVBDWFNOPHAGG-UHFFFAOYSA-N 1 0 211.309 0.629 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cc2nnc(C)[nH]2)C1 ZINC001014374970 642888816 /nfs/dbraw/zinc/88/88/16/642888816.db2.gz JOFTTZVSAWAWKA-SNVBAGLBSA-N 1 0 249.318 0.032 20 30 BCEDRO NC(=[NH2+])NN=Cc1cc2c(c(Cl)c1)OCO2 ZINC000252447349 642889881 /nfs/dbraw/zinc/88/98/81/642889881.db2.gz JGFJPGLSXZWLSB-UHFFFAOYSA-N 1 0 240.650 0.886 20 30 BCEDRO NC(=[NH2+])NN=Cc1cc(F)c(F)c(F)c1 ZINC000252668660 642891795 /nfs/dbraw/zinc/89/17/95/642891795.db2.gz ZBYBRGYMRZQPTR-UHFFFAOYSA-N 1 0 216.166 0.921 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cn2nccn2)C1 ZINC001014577372 642892147 /nfs/dbraw/zinc/89/21/47/642892147.db2.gz XLBPZWDSJJKAQE-LLVKDONJSA-N 1 0 249.318 0.045 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c2)C1 ZINC001014529191 642892624 /nfs/dbraw/zinc/89/26/24/642892624.db2.gz GIAKZSIYQQFGAB-GFCCVEGCSA-N 1 0 231.299 0.842 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001015063226 642895353 /nfs/dbraw/zinc/89/53/53/642895353.db2.gz UNOPQICMSSFCHR-VIFPVBQESA-N 1 0 235.291 0.185 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cncc2C)C1 ZINC001015286105 642898071 /nfs/dbraw/zinc/89/80/71/642898071.db2.gz MTKQXQMSACYVNO-GFCCVEGCSA-N 1 0 248.330 0.568 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cncn2C)C1 ZINC001015134815 642898347 /nfs/dbraw/zinc/89/83/47/642898347.db2.gz CJKHUWCPOCFGOT-SNVBAGLBSA-N 1 0 234.303 0.410 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001015551861 642905212 /nfs/dbraw/zinc/90/52/12/642905212.db2.gz JYVMKNWRIKULBW-WYUUTHIRSA-N 1 0 236.315 0.255 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)C1 ZINC001015750825 642927934 /nfs/dbraw/zinc/92/79/34/642927934.db2.gz PIAVFRCLPUZHKU-LBPRGKRZSA-N 1 0 246.314 0.857 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843254 642933475 /nfs/dbraw/zinc/93/34/75/642933475.db2.gz YDGDNZKAUDWIMI-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cnon2)C1 ZINC001015876707 642936297 /nfs/dbraw/zinc/93/62/97/642936297.db2.gz NQEVELAWUFSUCD-SECBINFHSA-N 1 0 236.275 0.450 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ncccn2)C1 ZINC001015886318 642937321 /nfs/dbraw/zinc/93/73/21/642937321.db2.gz ZJNRCEOWTXWAMH-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015906527 642941371 /nfs/dbraw/zinc/94/13/71/642941371.db2.gz ZPRGBNFGRFPPMU-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015904254 642942810 /nfs/dbraw/zinc/94/28/10/642942810.db2.gz AGDXPXHMKZEWMH-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001016245032 642952871 /nfs/dbraw/zinc/95/28/71/642952871.db2.gz BPLKSGHQCWQLQN-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001016308537 642953162 /nfs/dbraw/zinc/95/31/62/642953162.db2.gz DKRQIYAFPRSBMJ-CYBMUJFWSA-N 1 0 245.326 0.771 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001016308538 642954404 /nfs/dbraw/zinc/95/44/04/642954404.db2.gz DKRQIYAFPRSBMJ-ZDUSSCGKSA-N 1 0 245.326 0.771 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nonc2C)C1 ZINC001016416487 642959159 /nfs/dbraw/zinc/95/91/59/642959159.db2.gz MYBXXROLRZUNQK-SNVBAGLBSA-N 1 0 248.286 0.205 20 30 BCEDRO C=CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)COC ZINC001017277169 642969502 /nfs/dbraw/zinc/96/95/02/642969502.db2.gz VDACLIQWUUDSBF-TXEJJXNPSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cccnc2)C1 ZINC001018417470 642990857 /nfs/dbraw/zinc/99/08/57/642990857.db2.gz OTNFQXHEFZPLJC-LBPRGKRZSA-N 1 0 229.283 0.519 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccc(=O)[nH]n2)C1 ZINC001018458063 642992580 /nfs/dbraw/zinc/99/25/80/642992580.db2.gz HDNXKHXYQFRRQQ-VIFPVBQESA-N 1 0 248.286 0.172 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnc(C)cn2)C1 ZINC001018450196 642992772 /nfs/dbraw/zinc/99/27/72/642992772.db2.gz KQDGPRZXXNSGMV-NSHDSACASA-N 1 0 246.314 0.775 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CSC)C1 ZINC001018464299 642993178 /nfs/dbraw/zinc/99/31/78/642993178.db2.gz FDHOJMVDHVCASC-VIFPVBQESA-N 1 0 212.318 0.173 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccoc2)C1 ZINC001018500334 642995991 /nfs/dbraw/zinc/99/59/91/642995991.db2.gz JABNKGSUMLPCKV-NSHDSACASA-N 1 0 218.256 0.717 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCn2cccn2)C1 ZINC001018525972 642997369 /nfs/dbraw/zinc/99/73/69/642997369.db2.gz ASPMUTUXDQIUGD-LBPRGKRZSA-N 1 0 248.330 0.650 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cncnc2C)C1 ZINC001018562898 642999257 /nfs/dbraw/zinc/99/92/57/642999257.db2.gz LWMRDXLOSXRYQC-NSHDSACASA-N 1 0 244.298 0.222 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C)n(C)n2)C1 ZINC001018578716 642999495 /nfs/dbraw/zinc/99/94/95/642999495.db2.gz LHVRLKSLPLPFQR-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnns2)C1 ZINC001018567473 642999638 /nfs/dbraw/zinc/99/96/38/642999638.db2.gz OVTOVOQDQHILEN-QMMMGPOBSA-N 1 0 238.316 0.528 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)OC)C1 ZINC001018596586 643001134 /nfs/dbraw/zinc/00/11/34/643001134.db2.gz BBGLCZAWZXXKPO-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH2+]CCF)C1 ZINC001018632029 643002123 /nfs/dbraw/zinc/00/21/23/643002123.db2.gz LZTBNZBMNIHHJK-IUCAKERBSA-N 1 0 213.256 0.306 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccnn2C)C1 ZINC001018602666 643003061 /nfs/dbraw/zinc/00/30/61/643003061.db2.gz FXTZDXCXBMIXGH-JTQLQIEISA-N 1 0 234.303 0.410 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2ccon2)C1 ZINC001018648460 643006717 /nfs/dbraw/zinc/00/67/17/643006717.db2.gz GVLZRDXLDSTIJM-LBPRGKRZSA-N 1 0 249.314 0.984 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@@H]2CCOC2)C1 ZINC001018657370 643006934 /nfs/dbraw/zinc/00/69/34/643006934.db2.gz WFUNPUMTWGWKQH-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cccc(=O)[nH]2)C1 ZINC001018675547 643007293 /nfs/dbraw/zinc/00/72/93/643007293.db2.gz KWUWCZZCUQRQGQ-JTQLQIEISA-N 1 0 247.298 0.777 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)/C=C/c2ccc[nH]2)C1 ZINC001018766542 643011748 /nfs/dbraw/zinc/01/17/48/643011748.db2.gz DXPCIHOTKINULQ-GFUIURDCSA-N 1 0 243.310 0.852 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2ccn(C)n2)C1 ZINC001018834308 643012631 /nfs/dbraw/zinc/01/26/31/643012631.db2.gz IEDGVADCVXATLF-LBPRGKRZSA-N 1 0 248.330 0.339 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCc2c[nH]cn2)C1 ZINC001018948826 643015853 /nfs/dbraw/zinc/01/58/53/643015853.db2.gz NPAIZTZHDOBUEV-LBPRGKRZSA-N 1 0 246.314 0.166 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2onc(C)c2C)C1 ZINC001019014798 643020431 /nfs/dbraw/zinc/02/04/31/643020431.db2.gz ONFKVJRTBMOCNH-NSHDSACASA-N 1 0 247.298 0.729 20 30 BCEDRO C=C(C)C(C)(C)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019232275 643021779 /nfs/dbraw/zinc/02/17/79/643021779.db2.gz SHVVYJUCBKQSHI-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC001019276422 643028094 /nfs/dbraw/zinc/02/80/94/643028094.db2.gz VHFYJEBVSPLYCH-LBPRGKRZSA-N 1 0 249.314 0.984 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001019400215 643031351 /nfs/dbraw/zinc/03/13/51/643031351.db2.gz RZYFCDYSDKUCSM-WOPDTQHZSA-N 1 0 236.315 0.235 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2ccc(C)n2)C1 ZINC001019400223 643034072 /nfs/dbraw/zinc/03/40/72/643034072.db2.gz SKGYAEUQFYTJMX-LBPRGKRZSA-N 1 0 248.330 0.568 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC001019509925 643036832 /nfs/dbraw/zinc/03/68/32/643036832.db2.gz VCEDIXGEONKEGE-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO CNC(NCCc1cccc(C)n1)=[NH+]C ZINC000280105405 643040536 /nfs/dbraw/zinc/04/05/36/643040536.db2.gz YAJROMBHLGEJQI-UHFFFAOYSA-N 1 0 206.293 0.727 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CCC2)C1 ZINC001019918002 643046076 /nfs/dbraw/zinc/04/60/76/643046076.db2.gz AXNIPSLGLMDTFV-XYPYZODXSA-N 1 0 206.289 0.657 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccncc2)C1 ZINC001019937485 643049247 /nfs/dbraw/zinc/04/92/47/643049247.db2.gz LHYRSGSLHQSGLP-HAQNSBGRSA-N 1 0 229.283 0.565 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)noc2C)C1 ZINC001019980992 643050620 /nfs/dbraw/zinc/05/06/20/643050620.db2.gz PQWBFRGYGRFANH-XYPYZODXSA-N 1 0 247.298 0.775 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2nccnc2N)C1 ZINC001020037229 643051904 /nfs/dbraw/zinc/05/19/04/643051904.db2.gz LXBHJQBONGFQGW-KYZUINATSA-N 1 0 247.302 0.095 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC001020032316 643052113 /nfs/dbraw/zinc/05/21/13/643052113.db2.gz WTAAAOIPCNZOMO-XYPYZODXSA-N 1 0 246.314 0.212 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H](C)C2CC2)C1 ZINC001020050211 643055276 /nfs/dbraw/zinc/05/52/76/643055276.db2.gz RFLSYHYVXLGSER-DLOVCJGASA-N 1 0 220.316 0.903 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001020055658 643055340 /nfs/dbraw/zinc/05/53/40/643055340.db2.gz VTHHHMYHLLBALH-XYPYZODXSA-N 1 0 242.282 0.370 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cncnc2)C1 ZINC001020093821 643056197 /nfs/dbraw/zinc/05/61/97/643056197.db2.gz KWBCAOSXLLZFBF-HAQNSBGRSA-N 1 0 246.314 0.903 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C)sn2)C1 ZINC001020106337 643059063 /nfs/dbraw/zinc/05/90/63/643059063.db2.gz CQQUDEDERNNGKP-MGCOHNPYSA-N 1 0 249.339 0.935 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC001020409763 643101123 /nfs/dbraw/zinc/10/11/23/643101123.db2.gz SQKBVTVFHVNHLJ-BJDJZHNGSA-N 1 0 236.315 0.281 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC000969220586 643111470 /nfs/dbraw/zinc/11/14/70/643111470.db2.gz RDDBVTHPDAJSKV-SNVBAGLBSA-N 1 0 234.303 0.410 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(C)=O)[C@@H](C)C1 ZINC000941697947 643118994 /nfs/dbraw/zinc/11/89/94/643118994.db2.gz CMRDVDBEXSBJLS-CMPLNLGQSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccn[nH]2)C1 ZINC000969330268 643142195 /nfs/dbraw/zinc/14/21/95/643142195.db2.gz OHEMGJKAYYFNGT-SECBINFHSA-N 1 0 234.303 0.646 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCc2ccon2)C1 ZINC000969327750 643142845 /nfs/dbraw/zinc/14/28/45/643142845.db2.gz DJCPGBFEPDAZOK-GFCCVEGCSA-N 1 0 247.298 0.431 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)[C@@H](C)C1 ZINC000941847139 643142816 /nfs/dbraw/zinc/14/28/16/643142816.db2.gz QTBQRWBVWHMCPD-QWRGUYRKSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)c2ccn[nH]2)C1 ZINC000969331577 643143977 /nfs/dbraw/zinc/14/39/77/643143977.db2.gz DUPMHZBYMWFIBD-JTQLQIEISA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@H](C)C1 ZINC000941851291 643148066 /nfs/dbraw/zinc/14/80/66/643148066.db2.gz SXPMLGKPDHFDCF-MNOVXSKESA-N 1 0 247.298 0.748 20 30 BCEDRO COCCNC(=[NH2+])NCC(C)(C)CCOC ZINC000183645115 643152973 /nfs/dbraw/zinc/15/29/73/643152973.db2.gz FOJLWNAZWKSURE-UHFFFAOYSA-N 1 0 231.340 0.600 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC001020484820 643156178 /nfs/dbraw/zinc/15/61/78/643156178.db2.gz PQDMEBIADSPDCV-XYPYZODXSA-N 1 0 246.314 0.212 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2ncc[nH]2)[C@@H](C)C1 ZINC000942036596 643157324 /nfs/dbraw/zinc/15/73/24/643157324.db2.gz HRZIEGWNIJOAQY-QWRGUYRKSA-N 1 0 246.314 0.483 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001020486713 643158870 /nfs/dbraw/zinc/15/88/70/643158870.db2.gz LNJXGXUNMJHRSK-PRRUJLLQSA-N 1 0 236.315 0.302 20 30 BCEDRO C#CCN1CC([C@@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969380333 643159265 /nfs/dbraw/zinc/15/92/65/643159265.db2.gz DBDMTJJUKXTLOL-YPMHNXCESA-N 1 0 249.358 0.150 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cocn2)C1 ZINC000969392342 643161511 /nfs/dbraw/zinc/16/15/11/643161511.db2.gz SNWJPSIUHJRGOA-SECBINFHSA-N 1 0 235.287 0.911 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216066 643176204 /nfs/dbraw/zinc/17/62/04/643176204.db2.gz IRSXVVJPMIQCOO-UWVGGRQHSA-N 1 0 249.318 0.431 20 30 BCEDRO CC[NH+]1CC([C@H](C)NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000969525472 643186325 /nfs/dbraw/zinc/18/63/25/643186325.db2.gz BYLZLCQCSUIQMB-VIFPVBQESA-N 1 0 246.314 0.956 20 30 BCEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]CCO)C1 ZINC000969584950 643194961 /nfs/dbraw/zinc/19/49/61/643194961.db2.gz OUJZAFACFYCRQI-SNVBAGLBSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CCC[NH+]1CC([C@@H](C)NC(=O)c2ncc[nH]2)C1 ZINC000969639989 643203873 /nfs/dbraw/zinc/20/38/73/643203873.db2.gz CZIPHZJRURDQTR-SNVBAGLBSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ocnc2CC)C1 ZINC001020567913 643207293 /nfs/dbraw/zinc/20/72/93/643207293.db2.gz ZAUDKEMXYCVECC-MGCOHNPYSA-N 1 0 247.298 0.721 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2nc(C)c[nH]2)C1 ZINC001032039965 643208992 /nfs/dbraw/zinc/20/89/92/643208992.db2.gz KUJYPXCMRCZBNX-UHFFFAOYSA-N 1 0 246.314 0.403 20 30 BCEDRO C#CCNC(=O)CN(C)CC1([NH+](C)C)CCC1 ZINC000097929990 643216473 /nfs/dbraw/zinc/21/64/73/643216473.db2.gz VHCGRJBZHUFFDG-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2conc2C)C1 ZINC000969792328 643219728 /nfs/dbraw/zinc/21/97/28/643219728.db2.gz OCJLYDHKDHHYRT-SNVBAGLBSA-N 1 0 235.287 0.973 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2CC2)CC1(C)C ZINC000995308493 643222476 /nfs/dbraw/zinc/22/24/76/643222476.db2.gz GPWLHCGRVMTIIQ-LLVKDONJSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001020610042 643237789 /nfs/dbraw/zinc/23/77/89/643237789.db2.gz SMZBGFVUYKQXSG-DDHJBXDOSA-N 1 0 238.331 0.977 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001020627791 643242475 /nfs/dbraw/zinc/24/24/75/643242475.db2.gz SHNFFZSORJTRCW-GMTAPVOTSA-N 1 0 218.300 0.657 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCC(F)(F)CO)C1 ZINC000184822748 643242524 /nfs/dbraw/zinc/24/25/24/643242524.db2.gz NVEQHSJGHDCDJT-MRVPVSSYSA-N 1 0 235.278 0.661 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCC(F)(F)CO ZINC000184823620 643243032 /nfs/dbraw/zinc/24/30/32/643243032.db2.gz USBQIQKQQMZUBZ-UHFFFAOYSA-N 1 0 223.267 0.564 20 30 BCEDRO CCCCNC(=[NH2+])NCC(F)(F)CO ZINC000184823225 643243289 /nfs/dbraw/zinc/24/32/89/643243289.db2.gz SPLLJPCSSNUZAO-UHFFFAOYSA-N 1 0 209.240 0.318 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnon2)[C@@H](C)C1 ZINC000943715722 643255775 /nfs/dbraw/zinc/25/57/75/643255775.db2.gz ABTUPWBYYDRSNK-UWVGGRQHSA-N 1 0 248.286 0.143 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2nccc2C)C1 ZINC001020652900 643255846 /nfs/dbraw/zinc/25/58/46/643255846.db2.gz JXHOSLOBRBQBTC-HAQNSBGRSA-N 1 0 248.330 0.614 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnoc2CC)C1 ZINC001020657000 643259381 /nfs/dbraw/zinc/25/93/81/643259381.db2.gz QKZRXSBAXXHUMT-MGCOHNPYSA-N 1 0 247.298 0.721 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)COCCOC)C(C)(C)C ZINC000932461919 643265828 /nfs/dbraw/zinc/26/58/28/643265828.db2.gz LBPUFKLYGUQFQL-GFCCVEGCSA-N 1 0 243.347 0.744 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cccnn2)C1 ZINC001015886450 643267225 /nfs/dbraw/zinc/26/72/25/643267225.db2.gz JARHMTBVMDTKJW-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(CC)n2)C1 ZINC001020678785 643270928 /nfs/dbraw/zinc/27/09/28/643270928.db2.gz YLTRLACKGMSJTM-XYPYZODXSA-N 1 0 246.314 0.387 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001020743402 643287961 /nfs/dbraw/zinc/28/79/61/643287961.db2.gz DUZGHQHTWLEGMU-MGCOHNPYSA-N 1 0 249.318 0.242 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cccnn2)C1 ZINC001020796509 643298514 /nfs/dbraw/zinc/29/85/14/643298514.db2.gz VBGLZOJEPGDWMD-MGCOHNPYSA-N 1 0 232.287 0.513 20 30 BCEDRO CC[N@H+](CCC(N)=O)CC1(CC#N)CC1 ZINC000932479968 643306375 /nfs/dbraw/zinc/30/63/75/643306375.db2.gz QSVSFTXYDDULIQ-UHFFFAOYSA-N 1 0 209.293 0.878 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)[C@@H](C)OC)CC1(C)C ZINC000995526623 643325915 /nfs/dbraw/zinc/32/59/15/643325915.db2.gz BQCNPFPTQVCYSL-GHMZBOCLSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cocn2)CC1(C)C ZINC000995538206 643326816 /nfs/dbraw/zinc/32/68/16/643326816.db2.gz HYZJHMFWKFYHFM-LLVKDONJSA-N 1 0 247.298 0.748 20 30 BCEDRO CC[NH2+][C@@H]1CN(C(=O)[C@H](C)C#N)CC1(C)C ZINC000995562408 643327959 /nfs/dbraw/zinc/32/79/59/643327959.db2.gz NUFUTTCJJPHZMV-NXEZZACHSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccnc(C)n2)C1 ZINC001021066689 643399297 /nfs/dbraw/zinc/39/92/97/643399297.db2.gz GEFHKUOHCHLEQH-XYPYZODXSA-N 1 0 246.314 0.821 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC000970293972 643409600 /nfs/dbraw/zinc/40/96/00/643409600.db2.gz QGZHGRCLPNCPKO-SNVBAGLBSA-N 1 0 232.287 0.467 20 30 BCEDRO C=CCNC(N[C@H]1CCN(C2CC2)C1)=[NH+]C ZINC000083094137 643410868 /nfs/dbraw/zinc/41/08/68/643410868.db2.gz JMQWTHCAXWAXFB-JTQLQIEISA-N 1 0 222.336 0.574 20 30 BCEDRO C[NH+]=C(NC1CC1)N[C@@H]1C[C@H](O)C1(C)C ZINC000186015614 643424977 /nfs/dbraw/zinc/42/49/77/643424977.db2.gz UNJBKXSCGXQUCV-BDAKNGLRSA-N 1 0 211.309 0.473 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cncn2C)C1 ZINC000970481752 643442322 /nfs/dbraw/zinc/44/23/22/643442322.db2.gz KRLAMSJORKWNIT-LLVKDONJSA-N 1 0 248.330 0.339 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1cn[nH]c1 ZINC001032294318 643462429 /nfs/dbraw/zinc/46/24/29/643462429.db2.gz KAHPHGVGSYDHKH-RYUDHWBXSA-N 1 0 246.314 0.885 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cncnc2)C1 ZINC001010717550 643485985 /nfs/dbraw/zinc/48/59/85/643485985.db2.gz DVHQDVOIIXGGBQ-LBPRGKRZSA-N 1 0 246.314 0.857 20 30 BCEDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032318473 643496656 /nfs/dbraw/zinc/49/66/56/643496656.db2.gz OYXOMRPFGGGXTI-GUBZILKMSA-N 1 0 207.277 0.451 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000970715300 643513024 /nfs/dbraw/zinc/51/30/24/643513024.db2.gz SHTCFNKRMYECEF-SNVBAGLBSA-N 1 0 234.303 0.410 20 30 BCEDRO C=C(Br)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000307669741 643565655 /nfs/dbraw/zinc/56/56/55/643565655.db2.gz STVWPNXQLAKJRU-MRVPVSSYSA-N 1 0 247.136 0.963 20 30 BCEDRO C[C@@H]1CC(N=Nc2nc[nH]n2)CC[N@@H+]1C ZINC000807995417 643570403 /nfs/dbraw/zinc/57/04/03/643570403.db2.gz BDFRJKCMQXSJTK-SSDOTTSWSA-N 1 0 208.269 0.687 20 30 BCEDRO C#CCN1CC([C@H](C)NC(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC000970870568 643580284 /nfs/dbraw/zinc/58/02/84/643580284.db2.gz VCESBOMNRZZEKZ-RYUDHWBXSA-N 1 0 249.358 0.008 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cccnn2)CC1 ZINC000997113689 643581923 /nfs/dbraw/zinc/58/19/23/643581923.db2.gz KLVOHTPQZLDNFU-UHFFFAOYSA-N 1 0 244.298 0.304 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2ccn(C)n2)C1 ZINC000970880707 643585115 /nfs/dbraw/zinc/58/51/15/643585115.db2.gz PNGRPAFMWQFQPP-SNVBAGLBSA-N 1 0 248.330 0.656 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)Cc2ccc[nH]2)CC1 ZINC000997344540 643607476 /nfs/dbraw/zinc/60/74/76/643607476.db2.gz UUAZERLJAALKEH-UHFFFAOYSA-N 1 0 245.326 0.771 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)C(F)F)C1 ZINC000970924429 643619297 /nfs/dbraw/zinc/61/92/97/643619297.db2.gz PGCSOWMAVGKAAK-QMMMGPOBSA-N 1 0 218.247 0.970 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2nonc2C)CC1 ZINC000997423998 643621059 /nfs/dbraw/zinc/62/10/59/643621059.db2.gz YXUWIMAXDKQURT-UHFFFAOYSA-N 1 0 248.286 0.205 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2[nH]cnc2C)CC1 ZINC000997433522 643621414 /nfs/dbraw/zinc/62/14/14/643621414.db2.gz ADNKSOFZHYQUMQ-UHFFFAOYSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cnccn2)C1 ZINC000970994110 643654461 /nfs/dbraw/zinc/65/44/61/643654461.db2.gz PCXVZZKVWDWFCF-LLVKDONJSA-N 1 0 246.314 0.809 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1sccc1C ZINC000087308933 643654879 /nfs/dbraw/zinc/65/48/79/643654879.db2.gz YOMFMERCUXWZEI-UHFFFAOYSA-N 1 0 222.313 0.896 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000971049126 643685977 /nfs/dbraw/zinc/68/59/77/643685977.db2.gz AFKPFVZYUXHRDK-LBPRGKRZSA-N 1 0 246.314 0.200 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)COC)C1 ZINC000998310903 643694402 /nfs/dbraw/zinc/69/44/02/643694402.db2.gz FNFBIVIPIAXQCQ-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H]1CCCN(C(=O)COC)C1 ZINC000998325013 643697861 /nfs/dbraw/zinc/69/78/61/643697861.db2.gz VSACRWRAQQBMSJ-SNVBAGLBSA-N 1 0 246.738 0.966 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)C(F)F)C1 ZINC000998326779 643698323 /nfs/dbraw/zinc/69/83/23/643698323.db2.gz CSXYDGZXUBTPDZ-QMMMGPOBSA-N 1 0 216.231 0.465 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000998551248 643713008 /nfs/dbraw/zinc/71/30/08/643713008.db2.gz FQTIYKUDRANNFG-GFCCVEGCSA-N 1 0 245.326 0.853 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000998689906 643717600 /nfs/dbraw/zinc/71/76/00/643717600.db2.gz QIUYZKWQMQYBRP-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC000998747369 643721361 /nfs/dbraw/zinc/72/13/61/643721361.db2.gz RUUIZMKFKHVKIP-GHMZBOCLSA-N 1 0 221.304 0.913 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)C2=CCOCC2)C1 ZINC000999002557 643728093 /nfs/dbraw/zinc/72/80/93/643728093.db2.gz RZYFYCJQKSWCAA-ZDUSSCGKSA-N 1 0 248.326 0.547 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000999071664 643729135 /nfs/dbraw/zinc/72/91/35/643729135.db2.gz DYQFJNOIWZQIQB-NWDGAFQWSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000999130228 643729966 /nfs/dbraw/zinc/72/99/66/643729966.db2.gz URDNRSASVHPFLU-ZDUSSCGKSA-N 1 0 230.311 0.614 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC000999228885 643732169 /nfs/dbraw/zinc/73/21/69/643732169.db2.gz CXBMNIAATBAJFK-HBIQZDMRSA-N 1 0 220.316 0.855 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC000999255281 643733742 /nfs/dbraw/zinc/73/37/42/643733742.db2.gz DFFBFBNJMMJFJH-NSHDSACASA-N 1 0 249.318 0.045 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](F)CC)C1 ZINC000999908739 643744115 /nfs/dbraw/zinc/74/41/15/643744115.db2.gz AJOBMAICJDUGLN-GHMZBOCLSA-N 1 0 226.295 0.948 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)C2(CF)CC2)C1 ZINC001000162967 643753942 /nfs/dbraw/zinc/75/39/42/643753942.db2.gz WAWPGJSMXLCDHJ-NSHDSACASA-N 1 0 238.306 0.950 20 30 BCEDRO C#CC[N@H+]1CC=C(CNC(=O)[C@@H]2CCCO2)CC1 ZINC001000418479 643781524 /nfs/dbraw/zinc/78/15/24/643781524.db2.gz KDDVKKCSGPMNHN-ZDUSSCGKSA-N 1 0 248.326 0.547 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001001057112 643802225 /nfs/dbraw/zinc/80/22/25/643802225.db2.gz UKAGKPAHFCCEGX-GFCCVEGCSA-N 1 0 248.330 0.650 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC1([NH+](C)C)CC1 ZINC000921879351 643814971 /nfs/dbraw/zinc/81/49/71/643814971.db2.gz CDEYTDYWHSOOKN-VIFPVBQESA-N 1 0 224.308 0.539 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)NCC(C)(C)C#N)CC[N@@H+]1C ZINC000921887295 643817566 /nfs/dbraw/zinc/81/75/66/643817566.db2.gz DCXYCGMIOKPWJO-NXEZZACHSA-N 1 0 238.335 0.928 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCCCC#N ZINC000921907188 643823366 /nfs/dbraw/zinc/82/33/66/643823366.db2.gz UKNFDULPALUBRL-SECBINFHSA-N 1 0 210.281 0.293 20 30 BCEDRO CC#CC[NH+]1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC001002395961 643823987 /nfs/dbraw/zinc/82/39/87/643823987.db2.gz JOWOTKAHELYGEV-UHFFFAOYSA-N 1 0 246.314 0.627 20 30 BCEDRO COC[C@H](CO)[NH2+]Cc1csc(C#N)c1 ZINC000922080047 643860446 /nfs/dbraw/zinc/86/04/46/643860446.db2.gz BFVWASSRGWOEPF-VIFPVBQESA-N 1 0 226.301 0.717 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c2c(nn1C)CCC2 ZINC000922139535 643870137 /nfs/dbraw/zinc/87/01/37/643870137.db2.gz CQRCOFOKKLHMQH-SNVBAGLBSA-N 1 0 233.315 0.383 20 30 BCEDRO C#CC(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000922175171 643889964 /nfs/dbraw/zinc/88/99/64/643889964.db2.gz CPLLAPHJOPPPGI-UHFFFAOYSA-N 1 0 206.289 0.706 20 30 BCEDRO N#Cc1cc(C[NH2+]C[C@H]2CNC(=O)C2)cs1 ZINC000922185057 643896063 /nfs/dbraw/zinc/89/60/63/643896063.db2.gz WKYUDZSXRAPVHN-QMMMGPOBSA-N 1 0 235.312 0.845 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCCOCC(C)C ZINC000086156713 643933421 /nfs/dbraw/zinc/93/34/21/643933421.db2.gz RPEWIGPMEHGWGN-UHFFFAOYSA-N 1 0 226.320 0.388 20 30 BCEDRO C=CC[N@H+](C[C@@H](O)C[C@]1(O)CCOC1)C(C)C ZINC000929291682 643962896 /nfs/dbraw/zinc/96/28/96/643962896.db2.gz ABWUUZNJDQLCKF-QWHCGFSZSA-N 1 0 243.347 0.785 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCC1(CC#N)CC1 ZINC000922303615 643963192 /nfs/dbraw/zinc/96/31/92/643963192.db2.gz KTPUGIYMQIWGNO-SNVBAGLBSA-N 1 0 236.319 0.684 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC000922308566 643965789 /nfs/dbraw/zinc/96/57/89/643965789.db2.gz FEWCVWLNROCKBB-XCBNKYQSSA-N 1 0 226.301 0.451 20 30 BCEDRO N#Cc1cc(C[NH2+]C2CC(C(N)=O)C2)cs1 ZINC000922318106 643968583 /nfs/dbraw/zinc/96/85/83/643968583.db2.gz LGYBFBITMDVXJS-UHFFFAOYSA-N 1 0 235.312 0.973 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)Cc2ccc[nH]2)CC1 ZINC001004180034 644005370 /nfs/dbraw/zinc/00/53/70/644005370.db2.gz WVAKQNSRWZUYDP-UHFFFAOYSA-N 1 0 245.326 0.771 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)C(C)C ZINC000922520265 644011799 /nfs/dbraw/zinc/01/17/99/644011799.db2.gz KXHJUQKIOZFQQH-WDEREUQCSA-N 1 0 223.320 0.648 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H]2COC[C@@H]2C)nn1 ZINC000922641244 644056021 /nfs/dbraw/zinc/05/60/21/644056021.db2.gz YYSGOVXPWCDPLA-JQWIXIFHSA-N 1 0 236.319 0.979 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000922733810 644082499 /nfs/dbraw/zinc/08/24/99/644082499.db2.gz WRBZWPSILRNQCQ-LLVKDONJSA-N 1 0 238.331 0.526 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)C(=C)CC[NH+](C)C ZINC000922733508 644082574 /nfs/dbraw/zinc/08/25/74/644082574.db2.gz QXXVRXFXFRSQDG-GFCCVEGCSA-N 1 0 240.347 0.938 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NOCC=C)CC1 ZINC000922767881 644091142 /nfs/dbraw/zinc/09/11/42/644091142.db2.gz ZEPDOSLZMAOLAJ-UHFFFAOYSA-N 1 0 237.303 0.501 20 30 BCEDRO CC#CC[NH+]1CCC(N2CCOCC2)CC1 ZINC000625546316 644159923 /nfs/dbraw/zinc/15/99/23/644159923.db2.gz OKXADDPNUFRLBS-UHFFFAOYSA-N 1 0 222.332 0.806 20 30 BCEDRO Cn1nccc1[C@H](O)C[NH2+]Cc1ccc(C#N)o1 ZINC000922972373 644209406 /nfs/dbraw/zinc/20/94/06/644209406.db2.gz INZWJNDZXZNCFK-GFCCVEGCSA-N 1 0 246.270 0.708 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922992157 644218440 /nfs/dbraw/zinc/21/84/40/644218440.db2.gz AHZIXSZSZZQOAZ-JTQLQIEISA-N 1 0 241.335 0.317 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCC1([NH+](C)C)CC1 ZINC000922998639 644224869 /nfs/dbraw/zinc/22/48/69/644224869.db2.gz KZDNZKHUIMEYPF-SNVBAGLBSA-N 1 0 223.320 0.744 20 30 BCEDRO [NH2+]=C(NCCCOC(F)F)NC1CC1 ZINC000193241119 644224907 /nfs/dbraw/zinc/22/49/07/644224907.db2.gz IUHBZZBOCLNGDF-UHFFFAOYSA-N 1 0 207.224 0.682 20 30 BCEDRO COCCNC(=[NH2+])NCCCOC(F)F ZINC000193241195 644225692 /nfs/dbraw/zinc/22/56/92/644225692.db2.gz MHDMBQDXNNJMRU-UHFFFAOYSA-N 1 0 225.239 0.166 20 30 BCEDRO CSC1(CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000193261588 644228408 /nfs/dbraw/zinc/22/84/08/644228408.db2.gz PQDWJAGFIPZTNI-VIFPVBQESA-N 1 0 243.376 0.965 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCc2ncncc2C1 ZINC000923030823 644236877 /nfs/dbraw/zinc/23/68/77/644236877.db2.gz QALLXJKHWFPUCO-UHFFFAOYSA-N 1 0 246.314 0.479 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000193810439 644282215 /nfs/dbraw/zinc/28/22/15/644282215.db2.gz QPHNWMSZTDMDTD-NSHDSACASA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCN(C(=O)N[C@@H](C)C#C)C1CC[NH+](C)CC1 ZINC000923215346 644288484 /nfs/dbraw/zinc/28/84/84/644288484.db2.gz DYKDFVIVEXFVNE-LBPRGKRZSA-N 1 0 247.342 0.747 20 30 BCEDRO CC#CCNC(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000923218670 644290267 /nfs/dbraw/zinc/29/02/67/644290267.db2.gz WVYPWMXYBHCQQA-NSHDSACASA-N 1 0 241.335 0.276 20 30 BCEDRO C=C[C@H](O)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000923268462 644304443 /nfs/dbraw/zinc/30/44/43/644304443.db2.gz WLDZGHAYVRTTQW-AXFHLTTASA-N 1 0 224.304 0.228 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000923273748 644306807 /nfs/dbraw/zinc/30/68/07/644306807.db2.gz FFUKMUAXPVURFQ-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCC[C@H](O)CN1CC[NH2+]CC1(C)C ZINC000923291694 644317244 /nfs/dbraw/zinc/31/72/44/644317244.db2.gz FGWRMIGJPRQEFC-NSHDSACASA-N 1 0 212.337 0.997 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000923286441 644321119 /nfs/dbraw/zinc/32/11/19/644321119.db2.gz LBNIXTGHVBZMFC-SRVKXCTJSA-N 1 0 212.337 0.996 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC(=O)NC(C)C ZINC000194685129 644340657 /nfs/dbraw/zinc/34/06/57/644340657.db2.gz KQFUNLSKKPVKJJ-MRVPVSSYSA-N 1 0 214.313 0.214 20 30 BCEDRO [NH2+]=C(NCCCCO)N1CCSCC1 ZINC000195303244 644374764 /nfs/dbraw/zinc/37/47/64/644374764.db2.gz LLLTUWICPUNABB-UHFFFAOYSA-N 1 0 217.338 0.122 20 30 BCEDRO C=CCC[C@@H](O)CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000923343436 644362474 /nfs/dbraw/zinc/36/24/74/644362474.db2.gz NCGFMJUFFCPATR-GARJFASQSA-N 1 0 216.300 0.685 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@H](CN)C1CC1 ZINC000923357805 644367097 /nfs/dbraw/zinc/36/70/97/644367097.db2.gz RWQNVSOPSOMMLS-NWDGAFQWSA-N 1 0 212.337 0.983 20 30 BCEDRO C=C(C)CN1CCN(C(=O)c2cnon2)CC1 ZINC000952331784 644374523 /nfs/dbraw/zinc/37/45/23/644374523.db2.gz GOTDCZZKYARTBD-UHFFFAOYSA-N 1 0 236.275 0.404 20 30 BCEDRO [NH2+]=C(NCCCCO)N1CCCCCC1 ZINC000195303253 644375552 /nfs/dbraw/zinc/37/55/52/644375552.db2.gz APBNXAMPFIHCGA-UHFFFAOYSA-N 1 0 213.325 0.950 20 30 BCEDRO C=CCC[C@H](O)CN1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000923361402 644385848 /nfs/dbraw/zinc/38/58/48/644385848.db2.gz QPZWFTHHZSTPCT-RWMBFGLXSA-N 1 0 224.348 0.997 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@H](C)[NH2+]C[C@@H]1C ZINC000923361065 644386703 /nfs/dbraw/zinc/38/67/03/644386703.db2.gz HIPLFLCRRFVUPS-SRVKXCTJSA-N 1 0 212.337 0.996 20 30 BCEDRO N#CCCN1CCN(CCC[NH2+]C2CC2)CC1 ZINC000923415074 644416171 /nfs/dbraw/zinc/41/61/71/644416171.db2.gz OOPOMPMINZWXBA-UHFFFAOYSA-N 1 0 236.363 0.660 20 30 BCEDRO C=CCC[C@H](O)CN1CCC([NH2+]CCO)CC1 ZINC000923414006 644417752 /nfs/dbraw/zinc/41/77/52/644417752.db2.gz UIDZLYSBFYKJTQ-ZDUSSCGKSA-N 1 0 242.363 0.360 20 30 BCEDRO N#C[C@@H]1CCCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923432428 644426625 /nfs/dbraw/zinc/42/66/25/644426625.db2.gz MINDIHQWVUNNFX-NWDGAFQWSA-N 1 0 235.331 0.600 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1=O ZINC000923454710 644444155 /nfs/dbraw/zinc/44/41/55/644444155.db2.gz MVIJPXQAELZGJB-YNEHKIRRSA-N 1 0 249.358 0.457 20 30 BCEDRO C=CCNC(=O)CN1CC[C@]2(C1)CCCC[NH2+]2 ZINC000923537090 644492463 /nfs/dbraw/zinc/49/24/63/644492463.db2.gz SIUPFKDAUYWKFC-ZDUSSCGKSA-N 1 0 237.347 0.507 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)C2([NH+](C)C)CC2)C1 ZINC000923558157 644502983 /nfs/dbraw/zinc/50/29/83/644502983.db2.gz WPLNDOOWHPRICX-LBPRGKRZSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)C[C@H](C)OC)C1 ZINC000923580784 644514778 /nfs/dbraw/zinc/51/47/78/644514778.db2.gz BHWDJWLGPGLKSX-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)C[C@H](C)OC)C1 ZINC000923580786 644515538 /nfs/dbraw/zinc/51/55/38/644515538.db2.gz BHWDJWLGPGLKSX-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C12CCC2 ZINC000245562648 644531990 /nfs/dbraw/zinc/53/19/90/644531990.db2.gz VPRAPFIFCQRRHW-IWSPIJDZSA-N 1 0 209.293 0.478 20 30 BCEDRO C=CCONC(=O)NCC[NH+]1CCCCC1 ZINC000838702844 644543417 /nfs/dbraw/zinc/54/34/17/644543417.db2.gz XMPGAMBJAHTEFR-UHFFFAOYSA-N 1 0 227.308 0.889 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001017279527 644607648 /nfs/dbraw/zinc/60/76/48/644607648.db2.gz MFJBZNQYIVRCNB-TXEJJXNPSA-N 1 0 206.289 0.705 20 30 BCEDRO C#CCNC(=O)CN1CC[C@@H]([NH+](CC)CC)C1 ZINC000091439824 644627201 /nfs/dbraw/zinc/62/72/01/644627201.db2.gz UMCYOKYLLFOQTM-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1C[C@H](C)CC[C@@H]1C ZINC000091440388 644627471 /nfs/dbraw/zinc/62/74/71/644627471.db2.gz RBIKHCZPPGFAKT-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCCO1 ZINC000764445375 644658295 /nfs/dbraw/zinc/65/82/95/644658295.db2.gz ZNDZEVQJGWYMKY-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000773603459 644693662 /nfs/dbraw/zinc/69/36/62/644693662.db2.gz IRIATPVWZKZDKR-NXEZZACHSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000773603464 644694480 /nfs/dbraw/zinc/69/44/80/644694480.db2.gz IRIATPVWZKZDKR-ZJUUUORDSA-N 1 0 209.293 0.402 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cc(C#N)cs2)N1 ZINC000779797237 644716077 /nfs/dbraw/zinc/71/60/77/644716077.db2.gz CKWIXIAGTOWCKZ-ZETCQYMHSA-N 1 0 233.300 0.891 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc3c(c2)CCO3)N1 ZINC000779805345 644716942 /nfs/dbraw/zinc/71/69/42/644716942.db2.gz NDDLZCPPECXOSB-VIFPVBQESA-N 1 0 244.298 0.893 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](O)C1 ZINC000957798097 644755792 /nfs/dbraw/zinc/75/57/92/644755792.db2.gz QELGRGFAGWOZOK-VXGBXAGGSA-N 1 0 238.331 0.381 20 30 BCEDRO C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)c2ccc[nH]2)C1 ZINC000957863941 644758038 /nfs/dbraw/zinc/75/80/38/644758038.db2.gz NXFSIGJRKVEHGO-CMPLNLGQSA-N 1 0 249.314 0.223 20 30 BCEDRO C#CCNC(=O)CN1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000805767864 644764184 /nfs/dbraw/zinc/76/41/84/644764184.db2.gz IBHUPABETBAXKF-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO CC#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)CC ZINC000957986395 644765626 /nfs/dbraw/zinc/76/56/26/644765626.db2.gz ODZLBEDLVOKFNF-IAZYJMLFSA-N 1 0 206.289 0.466 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CCC1 ZINC000958028136 644770751 /nfs/dbraw/zinc/77/07/51/644770751.db2.gz KMTNJMSXZFLKRR-ITGUQSILSA-N 1 0 232.327 0.856 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccccc1 ZINC000958110563 644777666 /nfs/dbraw/zinc/77/76/66/644777666.db2.gz HYRLXNXKQIDREG-WDNDVIMCSA-N 1 0 240.306 0.980 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 ZINC000958168192 644779549 /nfs/dbraw/zinc/77/95/49/644779549.db2.gz DQCAWBROXMGIGF-WHOHXGKFSA-N 1 0 236.315 0.398 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCCO1 ZINC000958170045 644780345 /nfs/dbraw/zinc/78/03/45/644780345.db2.gz VKISBLOMEOLSLS-QNWHQSFQSA-N 1 0 248.326 0.235 20 30 BCEDRO CCCNC(=O)CNC(=[NH2+])N[C@@H](C)CC ZINC000303259485 644813151 /nfs/dbraw/zinc/81/31/51/644813151.db2.gz MBOPQVYZGBZGPP-QMMMGPOBSA-N 1 0 214.313 0.215 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccoc1 ZINC000958237050 644783764 /nfs/dbraw/zinc/78/37/64/644783764.db2.gz HTLBUUZQKAWLIF-ITGUQSILSA-N 1 0 244.294 0.963 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC000958274282 644785194 /nfs/dbraw/zinc/78/51/94/644785194.db2.gz RTINXTLHKMZYQW-URLYPYJESA-N 1 0 206.289 0.322 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@@H]1CCCO1 ZINC000958271674 644785380 /nfs/dbraw/zinc/78/53/80/644785380.db2.gz AJUDFLQGUJVJGJ-CIQGVGRVSA-N 1 0 248.326 0.235 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cncs1 ZINC000958330948 644789151 /nfs/dbraw/zinc/78/91/51/644789151.db2.gz JBXHLCIIFVXGSF-JZYVYDRUSA-N 1 0 247.323 0.436 20 30 BCEDRO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cocn1 ZINC000958396649 644793707 /nfs/dbraw/zinc/79/37/07/644793707.db2.gz FWURJAWEFFLKSR-IAZYJMLFSA-N 1 0 247.298 0.911 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H](C)C1CC1 ZINC000958491569 644800579 /nfs/dbraw/zinc/80/05/79/644800579.db2.gz QBDONKRDYBMMMO-XEZLXBQYSA-N 1 0 232.327 0.712 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303263289 644812838 /nfs/dbraw/zinc/81/28/38/644812838.db2.gz QVQBMMDJIQXWNZ-SSDOTTSWSA-N 1 0 214.313 0.201 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1nnc2ccccn21 ZINC000303261696 644813260 /nfs/dbraw/zinc/81/32/60/644813260.db2.gz OTTHAOJQDRCTJJ-UHFFFAOYSA-N 1 0 244.302 0.362 20 30 BCEDRO CCCNC(=O)CCNC(NCC)=[NH+]CC ZINC000303264765 644813357 /nfs/dbraw/zinc/81/33/57/644813357.db2.gz SRVDKONOYHVPGS-UHFFFAOYSA-N 1 0 228.340 0.478 20 30 BCEDRO CCNC(NCCC(=O)N[C@@H](C)CC)=[NH+]CC ZINC000303255754 644814013 /nfs/dbraw/zinc/81/40/13/644814013.db2.gz GUTXTDSTFMXFBK-JTQLQIEISA-N 1 0 242.367 0.866 20 30 BCEDRO CNC(NCCC(=O)OC(C)C)=[NH+]C ZINC000303258166 644814075 /nfs/dbraw/zinc/81/40/75/644814075.db2.gz KJHZRKBTQRQRHK-UHFFFAOYSA-N 1 0 201.270 0.123 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCC(=O)N[C@@H](C)CC ZINC000303263580 644814213 /nfs/dbraw/zinc/81/42/13/644814213.db2.gz RCGLEYKHOQAPGF-VHSXEESVSA-N 1 0 242.367 0.994 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C)n1 ZINC000958625644 644816832 /nfs/dbraw/zinc/81/68/32/644816832.db2.gz MXUHBDFMKWYMKA-IAZYJMLFSA-N 1 0 245.282 0.276 20 30 BCEDRO CCCNC(=O)CNC(=[NH2+])NCC1CCC1 ZINC000303771294 644844137 /nfs/dbraw/zinc/84/41/37/644844137.db2.gz CQCLDVQKWUKDIO-UHFFFAOYSA-N 1 0 226.324 0.217 20 30 BCEDRO COCCOCCCNC(=[NH2+])NCCC(C)C ZINC000303785683 644845894 /nfs/dbraw/zinc/84/58/94/644845894.db2.gz QNUIVLQRGZPKNL-UHFFFAOYSA-N 1 0 245.367 0.990 20 30 BCEDRO CCNC(=[NH2+])NC[C@H](C(C)C)N1CCOCC1 ZINC000303787184 644846518 /nfs/dbraw/zinc/84/65/18/644846518.db2.gz SFHVDZOHPXYVHX-LLVKDONJSA-N 1 0 242.367 0.267 20 30 BCEDRO COCCOCCC[NH+]=C(N(C)C)N(C)C ZINC000303785405 644846748 /nfs/dbraw/zinc/84/67/48/644846748.db2.gz QHDCEOBIXDOMIR-UHFFFAOYSA-N 1 0 231.340 0.519 20 30 BCEDRO COC(=O)[C@]1(C)CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801927254 644846999 /nfs/dbraw/zinc/84/69/99/644846999.db2.gz KRWIRQMCNNSROO-ZYHUDNBSSA-N 1 0 240.303 0.800 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCc1ccco1 ZINC000303791550 644848229 /nfs/dbraw/zinc/84/82/29/644848229.db2.gz XPXKUDDNZNQXFP-SECBINFHSA-N 1 0 225.292 0.761 20 30 BCEDRO NC(=[NH2+])NN=Cc1cnc2ccccc2n1 ZINC000252446877 644849767 /nfs/dbraw/zinc/84/97/67/644849767.db2.gz CIHWTCCUZQWELO-UHFFFAOYSA-N 1 0 214.232 0.447 20 30 BCEDRO NC(=[NH2+])NN=C1CCOc2ccccc21 ZINC000252446876 644850486 /nfs/dbraw/zinc/85/04/86/644850486.db2.gz CHKVVWOBVCUEJB-UHFFFAOYSA-N 1 0 204.233 0.656 20 30 BCEDRO COCCOCCNC(=[NH2+])N1CCSCC1 ZINC000303873237 644852225 /nfs/dbraw/zinc/85/22/25/644852225.db2.gz GQWGPHFRUZVWTG-UHFFFAOYSA-N 1 0 247.364 0.013 20 30 BCEDRO Cc1nn(C)c(C)c1CCNC(=[NH2+])NC(C)C ZINC000303876255 644853282 /nfs/dbraw/zinc/85/32/82/644853282.db2.gz IAFXVTNBDSCLNS-UHFFFAOYSA-N 1 0 237.351 0.892 20 30 BCEDRO CS(=O)(=O)CCCNC(=[NH2+])N1CCCCC1 ZINC000303880205 644854232 /nfs/dbraw/zinc/85/42/32/644854232.db2.gz KDBIPMHXPAJYHO-UHFFFAOYSA-N 1 0 247.364 0.222 20 30 BCEDRO CC[C@H](C)NC(=O)CCNC(=[NH2+])N(CC)CC ZINC000303895191 644855728 /nfs/dbraw/zinc/85/57/28/644855728.db2.gz TVARJMZAUPZBHT-JTQLQIEISA-N 1 0 242.367 0.948 20 30 BCEDRO COC(=O)[C@@H](C)CNC(=[NH2+])NC(C)C ZINC000303973466 644861027 /nfs/dbraw/zinc/86/10/27/644861027.db2.gz GXVFKTHAWDOZDC-ZETCQYMHSA-N 1 0 201.270 0.108 20 30 BCEDRO COC(=O)[C@H](C)CNC(=[NH2+])N1CCCCC1 ZINC000303975122 644860883 /nfs/dbraw/zinc/86/08/83/644860883.db2.gz IOOLOKYEYZZZCN-SECBINFHSA-N 1 0 227.308 0.596 20 30 BCEDRO CCCCNC(=[NH2+])NCC1(O)CCOCC1 ZINC000303990092 644863127 /nfs/dbraw/zinc/86/31/27/644863127.db2.gz YEWVGMCROMELEB-UHFFFAOYSA-N 1 0 229.324 0.232 20 30 BCEDRO COc1ccc2c(c1)C(=NNC(N)=[NH2+])CC2 ZINC000252610154 644870771 /nfs/dbraw/zinc/87/07/71/644870771.db2.gz ULLPBGHPZMRVSH-UHFFFAOYSA-N 1 0 218.260 0.829 20 30 BCEDRO CO[C@@H]1C[N@H+](CCO[C@H](C)C#N)C[C@@H]1OC ZINC000304220644 644877222 /nfs/dbraw/zinc/87/72/22/644877222.db2.gz HMPBBLJJVIZXPK-MXWKQRLJSA-N 1 0 228.292 0.261 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)Cc1cnn(C)c1 ZINC000304250918 644882355 /nfs/dbraw/zinc/88/23/55/644882355.db2.gz QYTOXVOAZWPOIQ-JTQLQIEISA-N 1 0 222.292 0.781 20 30 BCEDRO CON=CC(=O)NCC[N@H+](C)C1CCCCC1 ZINC000809609224 644894605 /nfs/dbraw/zinc/89/46/05/644894605.db2.gz AVJAXXZRLFHMHP-UHFFFAOYSA-N 1 0 241.335 0.999 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCC2(CO)CC2)C1 ZINC000304486346 644911305 /nfs/dbraw/zinc/91/13/05/644911305.db2.gz KDOLNSIFVPVOLB-SNVBAGLBSA-N 1 0 225.336 0.806 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCCSC ZINC000304685908 644925065 /nfs/dbraw/zinc/92/50/65/644925065.db2.gz AVRLKSYXMCRXRX-QMMMGPOBSA-N 1 0 219.354 0.679 20 30 BCEDRO CCN(CC)C(=[NH2+])NCC(C)(C)S(C)(=O)=O ZINC000304733245 644926953 /nfs/dbraw/zinc/92/69/53/644926953.db2.gz RPJLFHFLPYDQIQ-UHFFFAOYSA-N 1 0 249.380 0.466 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCOC[C@@H]1CCCO1 ZINC000304749678 644929403 /nfs/dbraw/zinc/92/94/03/644929403.db2.gz HXJOVHHAHHRBAO-NSHDSACASA-N 1 0 241.335 0.662 20 30 BCEDRO CCCC[N@H+](C)CCNC(=[NH2+])N1CCOCC1 ZINC000304754872 644930824 /nfs/dbraw/zinc/93/08/24/644930824.db2.gz MGAPVLCXBOWJRI-UHFFFAOYSA-N 1 0 242.367 0.365 20 30 BCEDRO CCc1nncn1CC[NH+]=C(N(C)C)N(C)C ZINC000304806499 644935158 /nfs/dbraw/zinc/93/51/58/644935158.db2.gz SFIGNOXPCMHTTM-UHFFFAOYSA-N 1 0 238.339 0.320 20 30 BCEDRO CC(=NN1CCN(C)CC1)C1CC[NH+](C)CC1 ZINC000814686198 644944578 /nfs/dbraw/zinc/94/45/78/644944578.db2.gz WLMFJQRICJVDSE-UHFFFAOYSA-N 1 0 238.379 0.952 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]1COC ZINC000815058019 644948660 /nfs/dbraw/zinc/94/86/60/644948660.db2.gz JQPIOJXJCAOUQH-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C1(COC)CC1 ZINC000815078439 644950560 /nfs/dbraw/zinc/95/05/60/644950560.db2.gz BUHYJKDEGVFFDR-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(C(=O)CC#N)CC[C@@H]21 ZINC000827277740 645076165 /nfs/dbraw/zinc/07/61/65/645076165.db2.gz OTSJMBWFDIAWOT-UWVGGRQHSA-N 1 0 207.277 0.453 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000827533391 645081554 /nfs/dbraw/zinc/08/15/54/645081554.db2.gz UCQVXAAAOVPJCI-VHSXEESVSA-N 1 0 214.309 0.236 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000829784197 645110543 /nfs/dbraw/zinc/11/05/43/645110543.db2.gz HEKYUMVIMDTBLY-SNVBAGLBSA-N 1 0 230.333 0.010 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000829778835 645111562 /nfs/dbraw/zinc/11/15/62/645111562.db2.gz IGFGCPDSVMZWIL-LBPRGKRZSA-N 1 0 220.316 0.954 20 30 BCEDRO CC(C)C(=O)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829997773 645113411 /nfs/dbraw/zinc/11/34/11/645113411.db2.gz CDHNNMKAFNQBSO-GFCCVEGCSA-N 1 0 224.304 0.952 20 30 BCEDRO CC(C)C(=O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000829997774 645113693 /nfs/dbraw/zinc/11/36/93/645113693.db2.gz CDHNNMKAFNQBSO-LBPRGKRZSA-N 1 0 224.304 0.952 20 30 BCEDRO C#CCCC[N@@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000830292841 645118682 /nfs/dbraw/zinc/11/86/82/645118682.db2.gz SFSHWHGFXATWJW-STQMWFEESA-N 1 0 222.332 0.805 20 30 BCEDRO C#CC1CC[NH+](CC(=O)N2CCN(C)CC2)CC1 ZINC000830316466 645119093 /nfs/dbraw/zinc/11/90/93/645119093.db2.gz UCJKWYLNXWNVBD-UHFFFAOYSA-N 1 0 249.358 0.106 20 30 BCEDRO C#CC1CC[NH+](C[C@@H](C)S(C)(=O)=O)CC1 ZINC000830352064 645122244 /nfs/dbraw/zinc/12/22/44/645122244.db2.gz ZMQWOPWYXLENGB-SNVBAGLBSA-N 1 0 229.345 0.765 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC[C@H]2C[C@H]2C1 ZINC000834484122 645143867 /nfs/dbraw/zinc/14/38/67/645143867.db2.gz DYPULBPFOBDFQW-MJDLHHQISA-N 1 0 233.315 0.650 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@H](C)OC ZINC000836831599 645179561 /nfs/dbraw/zinc/17/95/61/645179561.db2.gz GHQDGWYUAJUZPY-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000837108753 645191875 /nfs/dbraw/zinc/19/18/75/645191875.db2.gz SMBKVRIZDYVNQN-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO C[C@H](NC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)C1CC1 ZINC000841507090 645217242 /nfs/dbraw/zinc/21/72/42/645217242.db2.gz SLTRCJLCTNDCQY-FXBDTBDDSA-N 1 0 222.292 0.196 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000841506586 645217282 /nfs/dbraw/zinc/21/72/82/645217282.db2.gz OMYHYGRNKTVFQV-NXEZZACHSA-N 1 0 209.293 0.388 20 30 BCEDRO C=CCn1cc(CN[C@@H]2C[N@@H+]3C[C@@H]2CCC3)nn1 ZINC000926614278 645316372 /nfs/dbraw/zinc/31/63/72/645316372.db2.gz KUGBIQUTCDWLIZ-WCQYABFASA-N 1 0 247.346 0.648 20 30 BCEDRO C=CCn1cc(CN[C@H]2C[N@@H+]3C[C@@H]2CCC3)nn1 ZINC000926614277 645316816 /nfs/dbraw/zinc/31/68/16/645316816.db2.gz KUGBIQUTCDWLIZ-AAEUAGOBSA-N 1 0 247.346 0.648 20 30 BCEDRO C=CCC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000926684640 645355115 /nfs/dbraw/zinc/35/51/15/645355115.db2.gz HMAARWIARSXBAX-SNVBAGLBSA-N 1 0 224.304 0.447 20 30 BCEDRO C#Cc1ccc(C[NH2+]C[C@](C)(O)CO)cc1 ZINC000846059190 645396486 /nfs/dbraw/zinc/39/64/86/645396486.db2.gz UYIVTVLVWDFPDJ-ZDUSSCGKSA-N 1 0 219.284 0.501 20 30 BCEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCN1CC[C@@H](O)C1 ZINC000926766589 645410666 /nfs/dbraw/zinc/41/06/66/645410666.db2.gz GQHKCNONCOWRMK-NWDGAFQWSA-N 1 0 239.363 0.971 20 30 BCEDRO CC[C@@H]1COC[C@@H]1[NH+]1CCN(CCC#N)CC1 ZINC000926807241 645440171 /nfs/dbraw/zinc/44/01/71/645440171.db2.gz KBMMKZLPAXQNSQ-OLZOCXBDSA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCOCCC[NH2+]CCC(=O)N(C)OC ZINC000849330053 645449050 /nfs/dbraw/zinc/44/90/50/645449050.db2.gz HZIQPIXLWKZGDR-UHFFFAOYSA-N 1 0 230.308 0.579 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926866886 645463586 /nfs/dbraw/zinc/46/35/86/645463586.db2.gz ZGVIZUVKTZHHHO-UWVGGRQHSA-N 1 0 224.308 0.793 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)c2cnn(C)n2)C1 ZINC000926868158 645466639 /nfs/dbraw/zinc/46/66/39/645466639.db2.gz ODSBVYPUYRBNKF-NEPJUHHUSA-N 1 0 247.346 0.563 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](COCC)C1 ZINC000851798321 645467626 /nfs/dbraw/zinc/46/76/26/645467626.db2.gz QPISHQQDRCAJEY-GFCCVEGCSA-N 1 0 211.305 0.995 20 30 BCEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CCN1CCNC1=O ZINC000926873632 645469786 /nfs/dbraw/zinc/46/97/86/645469786.db2.gz MWRRRSIVRXSVOF-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO N#CC[C@]1(O)CCN(CCOC(F)F)C1 ZINC000852205135 645474073 /nfs/dbraw/zinc/47/40/73/645474073.db2.gz JRESFYHNGIETAC-VIFPVBQESA-N 1 0 220.219 0.576 20 30 BCEDRO C=CC[C@H](C)[C@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927025231 645524539 /nfs/dbraw/zinc/52/45/39/645524539.db2.gz FAENICVWYJPAMF-DCAQKATOSA-N 1 0 249.376 0.582 20 30 BCEDRO C[C@H]1COC[C@@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927169102 645583010 /nfs/dbraw/zinc/58/30/10/645583010.db2.gz WFLYIPLSQWKMNR-JQWIXIFHSA-N 1 0 246.314 0.990 20 30 BCEDRO C=C[C@H](O)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927698445 645639849 /nfs/dbraw/zinc/63/98/49/645639849.db2.gz YWRMRAKWLZZTPY-NSHDSACASA-N 1 0 235.287 0.311 20 30 BCEDRO C=CCOCC(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000927704009 645641899 /nfs/dbraw/zinc/64/18/99/645641899.db2.gz OTPMWZWECRJDET-UHFFFAOYSA-N 1 0 249.314 0.966 20 30 BCEDRO C[NH+](C)C1CC(NS(=O)(=O)CCCC#N)C1 ZINC000857705432 645657968 /nfs/dbraw/zinc/65/79/68/645657968.db2.gz KAUVBJNTDPPKHR-UHFFFAOYSA-N 1 0 245.348 0.302 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C[NH+](CC)CC ZINC000863799176 645705172 /nfs/dbraw/zinc/70/51/72/645705172.db2.gz WODSQLNDDNJJDR-LLVKDONJSA-N 1 0 226.320 0.483 20 30 BCEDRO C#CCSCC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928425735 645740876 /nfs/dbraw/zinc/74/08/76/645740876.db2.gz KNOFJTQAEMLDEU-UWVGGRQHSA-N 1 0 226.345 0.562 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928432329 645748836 /nfs/dbraw/zinc/74/88/36/645748836.db2.gz JFGBJLPGNDGNMC-QCNOEVLYSA-N 1 0 238.331 0.786 20 30 BCEDRO C[C@H]1[C@H](NC(=O)c2cccc(C#N)n2)CC[N@@H+]1C ZINC000928436526 645756445 /nfs/dbraw/zinc/75/64/45/645756445.db2.gz PECQPYMDPINMGP-GXSJLCMTSA-N 1 0 244.298 0.776 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)nc1 ZINC000928447598 645770509 /nfs/dbraw/zinc/77/05/09/645770509.db2.gz LFFZFROVXLJDGU-JQWIXIFHSA-N 1 0 243.310 0.885 20 30 BCEDRO C#CCOCCC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928446245 645771000 /nfs/dbraw/zinc/77/10/00/645771000.db2.gz VMGULAZIQNIOMK-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C[C@H]([NH3+])[C@@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000876796592 645786782 /nfs/dbraw/zinc/78/67/82/645786782.db2.gz MLJXNANFIPDRJG-GXSJLCMTSA-N 1 0 206.289 0.596 20 30 BCEDRO C[C@H]([NH3+])[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000876796597 645787141 /nfs/dbraw/zinc/78/71/41/645787141.db2.gz MLJXNANFIPDRJG-ONGXEEELSA-N 1 0 206.289 0.596 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(C)=O)C[C@@H]1C ZINC000946945483 645829789 /nfs/dbraw/zinc/82/97/89/645829789.db2.gz BSVZDRQCEBKQMK-CMPLNLGQSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCC1(O)CC[NH+](CCc2cncn2C)CC1 ZINC000880484501 645833692 /nfs/dbraw/zinc/83/36/92/645833692.db2.gz XNZGMGRNQUNPKO-UHFFFAOYSA-N 1 0 247.342 0.813 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880527830 645835943 /nfs/dbraw/zinc/83/59/43/645835943.db2.gz VOPFTWZESUEPFC-VXGBXAGGSA-N 1 0 236.315 0.237 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)Cc1ccc(C#N)nc1 ZINC000928579038 645836960 /nfs/dbraw/zinc/83/69/60/645836960.db2.gz POXDCXQATBWFHD-GFCCVEGCSA-N 1 0 244.298 0.316 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C2CC2)C[C@H]1C ZINC000946958328 645847334 /nfs/dbraw/zinc/84/73/34/645847334.db2.gz YDMUUAZUOBJXHC-ZYHUDNBSSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@H](C)CC#N)CC1 ZINC000928648289 645852612 /nfs/dbraw/zinc/85/26/12/645852612.db2.gz JIDRCLQHYKNGHQ-LLVKDONJSA-N 1 0 233.315 0.750 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CC2(F)F)CC1 ZINC000928651592 645853051 /nfs/dbraw/zinc/85/30/51/645853051.db2.gz WUTBTDALWFYXMW-SNVBAGLBSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2ccncn2)CC1 ZINC000928652926 645853241 /nfs/dbraw/zinc/85/32/41/645853241.db2.gz RMNIJVIZTCIQAC-UHFFFAOYSA-N 1 0 244.298 0.304 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2ncccn2)CC1 ZINC000928654921 645854127 /nfs/dbraw/zinc/85/41/27/645854127.db2.gz HVMPKPKDADGHBX-UHFFFAOYSA-N 1 0 244.298 0.304 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2nonc2C)CC1 ZINC000928654912 645854204 /nfs/dbraw/zinc/85/42/04/645854204.db2.gz HUKCOUQVGADDDI-UHFFFAOYSA-N 1 0 248.286 0.205 20 30 BCEDRO C=CC[NH+](CC=C)C[C@H](O)C1(O)CCOCC1 ZINC000929259883 646043097 /nfs/dbraw/zinc/04/30/97/646043097.db2.gz QIVHQDOIJUYMFZ-LBPRGKRZSA-N 1 0 241.331 0.563 20 30 BCEDRO COCC[N@H+](CC(C)C)C[C@H](O)CC#N ZINC000929275681 646053040 /nfs/dbraw/zinc/05/30/40/646053040.db2.gz XVDUPWLMXKLEMH-LLVKDONJSA-N 1 0 214.309 0.865 20 30 BCEDRO C=CC[C@H](CC)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924859127 646120075 /nfs/dbraw/zinc/12/00/75/646120075.db2.gz AJPLYTGETHSPBC-VHSXEESVSA-N 1 0 239.319 0.823 20 30 BCEDRO COC(=O)[C@@H](C)C[N@H+](C[C@H](O)CC#N)C1CC1 ZINC000929478738 646132505 /nfs/dbraw/zinc/13/25/05/646132505.db2.gz CJUKRKVHWRMLRO-GXSJLCMTSA-N 1 0 240.303 0.534 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+]([C@@H](C)C2CC2)CC1 ZINC000929511528 646159717 /nfs/dbraw/zinc/15/97/17/646159717.db2.gz PEJHNNTYTMVDJB-LBPRGKRZSA-N 1 0 249.358 0.152 20 30 BCEDRO C=CCC[C@H]1NC(=O)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000925196511 646206312 /nfs/dbraw/zinc/20/63/12/646206312.db2.gz NLFDCLIAFJOIST-NXEZZACHSA-N 1 0 237.303 0.577 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925332558 646244219 /nfs/dbraw/zinc/24/42/19/646244219.db2.gz PIGBJLMMMXMGHY-GMTAPVOTSA-N 1 0 241.335 0.315 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925403649 646261895 /nfs/dbraw/zinc/26/18/95/646261895.db2.gz NFJAGSJMTLEJAM-ZJUUUORDSA-N 1 0 224.308 0.492 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925432738 646278285 /nfs/dbraw/zinc/27/82/85/646278285.db2.gz URPXZAWFQYIVDD-WDEREUQCSA-N 1 0 241.335 0.317 20 30 BCEDRO Cn1cc(C[C@H]2CC[N@H+](C[C@H](O)CC#N)C2)cn1 ZINC000929767886 646296914 /nfs/dbraw/zinc/29/69/14/646296914.db2.gz HWHPNLYMVMPHPV-DGCLKSJQSA-N 1 0 248.330 0.559 20 30 BCEDRO CC(C)CCN(CCC#N)C[C@H](O)CO ZINC000929779825 646305225 /nfs/dbraw/zinc/30/52/25/646305225.db2.gz LBRBOFDOJUXFOE-NSHDSACASA-N 1 0 214.309 0.601 20 30 BCEDRO COC(C)(C)C[N@H+](C)C[C@H](O)CC#N ZINC000929830418 646347816 /nfs/dbraw/zinc/34/78/16/646347816.db2.gz FMFYUHSWCHJTNX-SECBINFHSA-N 1 0 200.282 0.618 20 30 BCEDRO C=C(C)COCCN[C@H]1C[NH2+]CCOC1 ZINC000925621243 646368353 /nfs/dbraw/zinc/36/83/53/646368353.db2.gz ZUWOSZJGVLKZTI-NSHDSACASA-N 1 0 214.309 0.157 20 30 BCEDRO C=CCS(=O)(=O)CCN[C@@H]1CCC[NH2+][C@@H]1C ZINC000925634019 646377920 /nfs/dbraw/zinc/37/79/20/646377920.db2.gz HUPJOLRDOMEHGG-GHMZBOCLSA-N 1 0 246.376 0.317 20 30 BCEDRO C=CCS(=O)(=O)CCN[C@@H]1CC[NH2+]C1(C)C ZINC000925636313 646380961 /nfs/dbraw/zinc/38/09/61/646380961.db2.gz WWIWISIQXUSLQT-SNVBAGLBSA-N 1 0 246.376 0.317 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CNCCOC1 ZINC000925654193 646391903 /nfs/dbraw/zinc/39/19/03/646391903.db2.gz DLZHEIACXJXGBA-XQQFMLRXSA-N 1 0 240.347 0.546 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+][C@H]1CNCCOC1 ZINC000925654191 646392266 /nfs/dbraw/zinc/39/22/66/646392266.db2.gz DLZHEIACXJXGBA-AVGNSLFASA-N 1 0 240.347 0.546 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@]1(CO)CCc2ccccc21 ZINC000930062043 646414369 /nfs/dbraw/zinc/41/43/69/646414369.db2.gz JPLLYISALLRDLB-OCCSQVGLSA-N 1 0 246.310 0.685 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@]1(CO)CCc2ccccc21 ZINC000930062044 646414611 /nfs/dbraw/zinc/41/46/11/646414611.db2.gz JPLLYISALLRDLB-TZMCWYRMSA-N 1 0 246.310 0.685 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(O)(COC)CC1 ZINC000930106941 646438295 /nfs/dbraw/zinc/43/82/95/646438295.db2.gz WVWJIRMMTCMSKK-NSHDSACASA-N 1 0 229.320 0.397 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@H](C(F)F)C1 ZINC000930127397 646450776 /nfs/dbraw/zinc/45/07/76/646450776.db2.gz QKPYXDHHQYEGBA-HTQZYQBOSA-N 1 0 204.220 0.848 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000930142382 646454603 /nfs/dbraw/zinc/45/46/03/646454603.db2.gz KHHMMHCFGBECCY-QWRGUYRKSA-N 1 0 224.304 0.230 20 30 BCEDRO N#CCCN1CCN([C@H]2CC[NH2+]C23CCC3)CC1 ZINC000925728816 646454850 /nfs/dbraw/zinc/45/48/50/646454850.db2.gz WXHACAQTVHHJHS-ZDUSSCGKSA-N 1 0 248.374 0.802 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)CC1CCOCC1 ZINC000930154203 646462726 /nfs/dbraw/zinc/46/27/26/646462726.db2.gz DCMZRRDBWMYYHS-LLVKDONJSA-N 1 0 212.293 0.619 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(CCC(N)=O)CC1 ZINC000930158717 646465405 /nfs/dbraw/zinc/46/54/05/646465405.db2.gz OPLPYJBMWQAYJT-GFCCVEGCSA-N 1 0 240.347 0.901 20 30 BCEDRO N#Cc1ccc(NCCN[C@@H]2CCC[C@H]2[NH3+])nc1 ZINC000925892988 646535478 /nfs/dbraw/zinc/53/54/78/646535478.db2.gz JDSIQJGNYYGXCI-VXGBXAGGSA-N 1 0 245.330 0.835 20 30 BCEDRO CC1(C)CNC(=O)[C@@H]1[NH2+]CC1(CC#N)CC1 ZINC000926347502 646622617 /nfs/dbraw/zinc/62/26/17/646622617.db2.gz ZDJKNPAXVNXQEG-VIFPVBQESA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H]1CCOC[C@H]1C ZINC000393787953 711678606 /nfs/dbraw/zinc/67/86/06/711678606.db2.gz GLBCVZLJWVJEMI-MXWKQRLJSA-N 1 0 212.293 0.930 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H]1CC[N@H+]1C ZINC000928566446 711779163 /nfs/dbraw/zinc/77/91/63/711779163.db2.gz PRUHNDAEIPYCMS-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=C(C)C[NH+]1CCC(C(=O)NCCO)CC1 ZINC000138653290 711805815 /nfs/dbraw/zinc/80/58/15/711805815.db2.gz TXWCYDBZWUJOPG-UHFFFAOYSA-N 1 0 226.320 0.383 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)[C@@H]1CCC[N@H+]1C ZINC001038094903 711840643 /nfs/dbraw/zinc/84/06/43/711840643.db2.gz IKOOGELUCGNYBW-NEPJUHHUSA-N 1 0 237.347 0.457 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(CCOC)CC1 ZINC000704135743 712100274 /nfs/dbraw/zinc/10/02/74/712100274.db2.gz PVZLVMFWZZEBFZ-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C[C@H](C[NH3+])N(C)C(=O)Cc1ccc(C#N)cc1 ZINC000704665419 712114297 /nfs/dbraw/zinc/11/42/97/712114297.db2.gz MNHHSSKAWXCVCO-SNVBAGLBSA-N 1 0 231.299 0.906 20 30 BCEDRO C[NH2+]CCNC(=O)Cc1ccc(C#N)cc1 ZINC000704665703 712114015 /nfs/dbraw/zinc/11/40/15/712114015.db2.gz OKBFUEVUGKOYJA-UHFFFAOYSA-N 1 0 217.272 0.436 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@H](C)[NH2+]C ZINC000707269754 712167881 /nfs/dbraw/zinc/16/78/81/712167881.db2.gz IXOAHIKHGNSLSZ-VIFPVBQESA-N 1 0 228.292 0.172 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)CC[NH2+]C ZINC000707269688 712167897 /nfs/dbraw/zinc/16/78/97/712167897.db2.gz GRTLNKNDUAWZHB-UHFFFAOYSA-N 1 0 228.292 0.174 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2cnn(CC)c2)CC1 ZINC000708135248 712182342 /nfs/dbraw/zinc/18/23/42/712182342.db2.gz XNXKOWPKGWEEPY-UHFFFAOYSA-N 1 0 233.315 0.863 20 30 BCEDRO C[C@H](O)[C@H]1CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000708422528 712193688 /nfs/dbraw/zinc/19/36/88/712193688.db2.gz GPVZATZANICCME-QWRGUYRKSA-N 1 0 239.319 0.109 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[NH2+]CC1(C)C ZINC000710863391 712260277 /nfs/dbraw/zinc/26/02/77/712260277.db2.gz AJURSHMGPZSMNH-SNVBAGLBSA-N 1 0 246.376 0.870 20 30 BCEDRO C#C[C@@H]([NH2+]CCOCCC#N)[C@H]1CCCO1 ZINC000378860135 712363601 /nfs/dbraw/zinc/36/36/01/712363601.db2.gz OHKILYMZDSRUFG-VXGBXAGGSA-N 1 0 222.288 0.687 20 30 BCEDRO C[C@H]([NH2+]CCOCCC#N)c1cn[nH]c1 ZINC000378862235 712364325 /nfs/dbraw/zinc/36/43/25/712364325.db2.gz SNVLWHKFVATVSM-VIFPVBQESA-N 1 0 208.265 0.991 20 30 BCEDRO C[N@@H+]1CCN(C(=O)CC#N)CCC1(C)C ZINC000712617642 712438447 /nfs/dbraw/zinc/43/84/47/712438447.db2.gz NYBHXFZMRJREHN-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNc1cc(C#N)ncn1 ZINC000712570617 712447390 /nfs/dbraw/zinc/44/73/90/712447390.db2.gz STBRSOXSBKJMOC-VIFPVBQESA-N 1 0 203.249 0.464 20 30 BCEDRO C#C[C@@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716122222 712550579 /nfs/dbraw/zinc/55/05/79/712550579.db2.gz UZTANRYDEZAYEI-AFPNSQJFSA-N 1 0 201.291 0.173 20 30 BCEDRO C=C[C@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716119259 712550753 /nfs/dbraw/zinc/55/07/53/712550753.db2.gz CNBIFJYPIANTRI-UEJVZZJDSA-N 1 0 203.307 0.726 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(C(C)(C)O)CC1 ZINC000716339222 712555330 /nfs/dbraw/zinc/55/53/30/712555330.db2.gz FBCYGNURPVDKNX-UHFFFAOYSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)CC[NH2+]C(C)(C)C ZINC000716414073 712559118 /nfs/dbraw/zinc/55/91/18/712559118.db2.gz WAPGNCCFJLGVRB-NSHDSACASA-N 1 0 240.347 0.919 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)C[C@@H]1CCOC1 ZINC000379817639 712611667 /nfs/dbraw/zinc/61/16/67/712611667.db2.gz RDLZRXHREQOMBG-QWRGUYRKSA-N 1 0 212.293 0.883 20 30 BCEDRO C#CCC[N@@H+](CCOC)Cc1cnn(C)c1 ZINC000852751808 712612912 /nfs/dbraw/zinc/61/29/12/712612912.db2.gz GDDZXWGBTDWXHG-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO Cc1ncc(C=NN(C)[C@@H](C)CO)n1C ZINC000853366301 712613369 /nfs/dbraw/zinc/61/33/69/712613369.db2.gz IFZQRHRWUKLTEN-QMMMGPOBSA-N 1 0 210.281 0.375 20 30 BCEDRO C[C@@H](O)[C@@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000379834699 712615414 /nfs/dbraw/zinc/61/54/14/712615414.db2.gz DXTXIBYZANLHRG-GMTAPVOTSA-N 1 0 212.293 0.618 20 30 BCEDRO C=CCNC(=O)NC[C@H]1C[NH2+]CCC1(F)F ZINC000717149538 712637370 /nfs/dbraw/zinc/63/73/70/712637370.db2.gz WCEWCKYIULQXDF-MRVPVSSYSA-N 1 0 233.262 0.716 20 30 BCEDRO C=CCC1(O)CC[NH+](CC(=O)NC2CC2)CC1 ZINC000717397793 712654600 /nfs/dbraw/zinc/65/46/00/712654600.db2.gz LWKCZSQMEOGDCP-UHFFFAOYSA-N 1 0 238.331 0.668 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NCC#CC[NH+](C)C ZINC000717665445 712663815 /nfs/dbraw/zinc/66/38/15/712663815.db2.gz GESVTYOHVOTKRN-GFCCVEGCSA-N 1 0 221.304 0.607 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H](C)[C@@H]1CCCCO1 ZINC000717698093 712665275 /nfs/dbraw/zinc/66/52/75/712665275.db2.gz BMPZGFDGBJTBKX-TUAOUCFPSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@H]1CCCNC(=O)C1 ZINC000717741796 712668562 /nfs/dbraw/zinc/66/85/62/712668562.db2.gz ZEIWIVLEMGWXJC-QWRGUYRKSA-N 1 0 224.304 0.019 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccnn1CC ZINC000717785150 712676294 /nfs/dbraw/zinc/67/62/94/712676294.db2.gz BGCYAEOATODDDO-SNVBAGLBSA-N 1 0 207.277 0.377 20 30 BCEDRO C=C[C@H](C(=O)OC)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000380158843 712702168 /nfs/dbraw/zinc/70/21/68/712702168.db2.gz KLMKMZAJEGHJOC-QJPTWQEYSA-N 1 0 238.331 0.598 20 30 BCEDRO C[C@@H](O)C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000037888446 712780981 /nfs/dbraw/zinc/78/09/81/712780981.db2.gz YCOCWAIFDNHGPK-BXKDBHETSA-N 1 0 220.272 0.562 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@H](C(C)(C)O)C1 ZINC000719652483 712821450 /nfs/dbraw/zinc/82/14/50/712821450.db2.gz BDNPVZCDBATZAB-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO COC(C)(C)[C@@H](C)[NH2+]CC(=O)NCC#N ZINC000720238215 712829472 /nfs/dbraw/zinc/82/94/72/712829472.db2.gz GTJCKDOFYYCJEW-MRVPVSSYSA-N 1 0 213.281 0.029 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000967997343 712897410 /nfs/dbraw/zinc/89/74/10/712897410.db2.gz UCPDRKPALXUKGQ-SNVBAGLBSA-N 1 0 236.315 0.425 20 30 BCEDRO C=C(C)CN1CC[C@@H]1CNC(=O)c1cnccn1 ZINC001038020573 712898670 /nfs/dbraw/zinc/89/86/70/712898670.db2.gz JMYOKLNYWRPODD-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CCCC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000381495110 710645902 /nfs/dbraw/zinc/64/59/02/710645902.db2.gz BNKNMCXYESKOLI-LLVKDONJSA-N 1 0 244.360 0.366 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cnccn1 ZINC001038020131 712898895 /nfs/dbraw/zinc/89/88/95/712898895.db2.gz FMJDAWPGFNSROD-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(=O)N(C)C)[C@@H]1CCCO1 ZINC000381504631 710648066 /nfs/dbraw/zinc/64/80/66/710648066.db2.gz JGGKJUWNADVLLU-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(C)cn2)C1 ZINC001018709450 710668221 /nfs/dbraw/zinc/66/82/21/710668221.db2.gz HCZYMLAOOCTAMX-JTQLQIEISA-N 1 0 234.303 0.410 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001020003519 710673962 /nfs/dbraw/zinc/67/39/62/710673962.db2.gz JGCONLCOKQGWJJ-SRVKXCTJSA-N 1 0 238.331 0.978 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2OCC)C1 ZINC001019999216 710674077 /nfs/dbraw/zinc/67/40/77/710674077.db2.gz GJKKNTCCJAKXHG-FIQHERPVSA-N 1 0 238.331 0.834 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)c1nn(C)cc1C ZINC001038246987 710680185 /nfs/dbraw/zinc/68/01/85/710680185.db2.gz BTMQFHNSPMACRG-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C#CCN1CC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001038791666 710706513 /nfs/dbraw/zinc/70/65/13/710706513.db2.gz GKIJMODJKDBQDZ-JTQLQIEISA-N 1 0 232.287 0.155 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)C12CC[NH+](CC1)C2 ZINC001038915691 710714422 /nfs/dbraw/zinc/71/44/22/710714422.db2.gz XWFMDBRFOZNTMP-LBPRGKRZSA-N 1 0 249.358 0.459 20 30 BCEDRO CCC[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000393790643 710719506 /nfs/dbraw/zinc/71/95/06/710719506.db2.gz LSPPANBBFUDXPJ-LPEHRKFASA-N 1 0 209.293 0.650 20 30 BCEDRO C#C[C@H]([NH2+]CCO[C@H](C)C#N)[C@@H]1CCCO1 ZINC000393802519 710755502 /nfs/dbraw/zinc/75/55/02/710755502.db2.gz MYWLLVVGYLBCPW-WOPDTQHZSA-N 1 0 222.288 0.685 20 30 BCEDRO Cc1cc(NCC2(CC#N)CC2)nc(N)[nH+]1 ZINC000393810474 710762483 /nfs/dbraw/zinc/76/24/83/710762483.db2.gz ULVOKFOPQSUTJO-UHFFFAOYSA-N 1 0 217.276 0.725 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]2CCN(C(C)=O)C[C@H]21 ZINC001041868707 710770154 /nfs/dbraw/zinc/77/01/54/710770154.db2.gz LQYUWWKZZGDYSJ-CHWSQXEVSA-N 1 0 220.316 0.952 20 30 BCEDRO Cn1ncc(C=[NH+]NC2CCCC2)c1N ZINC000382103723 710776572 /nfs/dbraw/zinc/77/65/72/710776572.db2.gz HNMYTIWDPNHFAL-UHFFFAOYSA-N 1 0 207.281 0.868 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CC)[C@@H]1CCCO1 ZINC000393818699 710799102 /nfs/dbraw/zinc/79/91/02/710799102.db2.gz HURZZHHRVDZQEB-QWRGUYRKSA-N 1 0 224.304 0.283 20 30 BCEDRO OC[C@]1([NH2+]CC#Cc2ccccc2)CCOC1 ZINC000393900645 710821183 /nfs/dbraw/zinc/82/11/83/710821183.db2.gz AKCASYFFFDSPHZ-CQSZACIVSA-N 1 0 231.295 0.779 20 30 BCEDRO OC[C@@]1([NH2+]CC#Cc2ccccc2)CCOC1 ZINC000393900642 710822016 /nfs/dbraw/zinc/82/20/16/710822016.db2.gz AKCASYFFFDSPHZ-AWEZNQCLSA-N 1 0 231.295 0.779 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NC1CCOCC1 ZINC000384196184 710822071 /nfs/dbraw/zinc/82/20/71/710822071.db2.gz JLOKLJXOEHBQKS-ZDUSSCGKSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CC2)[C@H](C)C1 ZINC001044401899 710824300 /nfs/dbraw/zinc/82/43/00/710824300.db2.gz QNPSLESTJKWGBZ-PWSUYJOCSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@H](C)C(=O)NCCCOC ZINC000384218767 710834831 /nfs/dbraw/zinc/83/48/31/710834831.db2.gz RMWRHAIMXMTMKT-DGCLKSJQSA-N 1 0 240.347 0.919 20 30 BCEDRO CC(=[NH+]N[C@@H]1CCOC1)c1ccc(N)nc1 ZINC000393927173 710828683 /nfs/dbraw/zinc/82/86/83/710828683.db2.gz TYMSRLQEUYQDJV-SNVBAGLBSA-N 1 0 220.276 0.597 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)[C@@H](C)C1 ZINC001044784942 710830471 /nfs/dbraw/zinc/83/04/71/710830471.db2.gz XCCSNIFMIBSJAT-UWVGGRQHSA-N 1 0 247.302 0.021 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(C)C[C@H](C)[NH3+] ZINC000380546465 712901573 /nfs/dbraw/zinc/90/15/73/712901573.db2.gz IQJRHDWOKLNMDQ-NSHDSACASA-N 1 0 225.336 0.466 20 30 BCEDRO C#C[C@@](C)(CC)NC[C@H](O)C[NH+]1CCCC1 ZINC000384227110 710836945 /nfs/dbraw/zinc/83/69/45/710836945.db2.gz VRVIWPGYGAQIPN-STQMWFEESA-N 1 0 224.348 0.835 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)[C@H]2CCCO2)C1 ZINC001046123137 710849992 /nfs/dbraw/zinc/84/99/92/710849992.db2.gz QGXWYPGLDKUNAF-YPMHNXCESA-N 1 0 238.331 0.932 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)[C@H]2CCCO2)C1 ZINC001046124596 710850273 /nfs/dbraw/zinc/85/02/73/710850273.db2.gz XLWKBWRGRPTYIZ-DGCLKSJQSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)c2cnc(C)[nH]2)C1 ZINC001046195104 710854327 /nfs/dbraw/zinc/85/43/27/710854327.db2.gz KUUREKSINQPQOO-ZDUSSCGKSA-N 1 0 246.314 0.546 20 30 BCEDRO C#CCN1CC[C@@](C)(NC(=O)c2cscn2)C1 ZINC001046181336 710854907 /nfs/dbraw/zinc/85/49/07/710854907.db2.gz SGMZDGXANBUIIF-GFCCVEGCSA-N 1 0 249.339 0.971 20 30 BCEDRO CC#CC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000801134890 710865428 /nfs/dbraw/zinc/86/54/28/710865428.db2.gz PYRYBGDCXYEJGC-MNOVXSKESA-N 1 0 206.289 0.753 20 30 BCEDRO C=CC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)CC2CC2)C1 ZINC001047276872 710870547 /nfs/dbraw/zinc/87/05/47/710870547.db2.gz HWDQPDJZWKAGJK-RYUDHWBXSA-N 1 0 238.331 0.476 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccco3)C[C@H]2C1 ZINC001048648582 710885249 /nfs/dbraw/zinc/88/52/49/710885249.db2.gz NASCFSDGPZEZBQ-TXEJJXNPSA-N 1 0 244.294 0.917 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)C(C)C)C[C@H]2C1 ZINC001048685323 710885510 /nfs/dbraw/zinc/88/55/10/710885510.db2.gz PLTWCKANUNJHPW-TXEJJXNPSA-N 1 0 220.316 0.666 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2CCCN(C(=O)COC)[C@@H]2C1 ZINC001049942552 710904447 /nfs/dbraw/zinc/90/44/47/710904447.db2.gz OTPKDXCTLQGBHK-NWDGAFQWSA-N 1 0 238.331 0.742 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2CCCN(C(C)=O)[C@@H]2C1 ZINC001049942737 710904912 /nfs/dbraw/zinc/90/49/12/710904912.db2.gz VWVDBMAGSFXMSL-QWHCGFSZSA-N 1 0 220.316 0.952 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1CN(C(=O)COC)C[C@@H]1C ZINC001054304201 710925474 /nfs/dbraw/zinc/92/54/74/710925474.db2.gz WPNOJHLUVPVLIX-WPRPVWTQSA-N 1 0 246.738 0.822 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@H]1C ZINC001054310166 710926983 /nfs/dbraw/zinc/92/69/83/710926983.db2.gz AJLWUNILGRBNRA-MWLCHTKSSA-N 1 0 206.289 0.466 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccncc2)C[C@@H]1C ZINC001054330263 710929066 /nfs/dbraw/zinc/92/90/66/710929066.db2.gz GOUBPQOKAIOVNJ-AAEUAGOBSA-N 1 0 243.310 0.765 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)CCC)C[C@H]1C ZINC001054325255 710929200 /nfs/dbraw/zinc/92/92/00/710929200.db2.gz YMEOTFOGPNBGCF-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)CCC)C[C@@H]1C ZINC001054325257 710929494 /nfs/dbraw/zinc/92/94/94/710929494.db2.gz YMEOTFOGPNBGCF-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cnccn2)C[C@@H]1C ZINC001054344165 710930705 /nfs/dbraw/zinc/93/07/05/710930705.db2.gz AXMSZRBRSNNJSE-CMPLNLGQSA-N 1 0 244.298 0.160 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cccn2C)C[C@@H]1C ZINC001054396278 710934385 /nfs/dbraw/zinc/93/43/85/710934385.db2.gz OXKLAHOGNPTDDQ-NWDGAFQWSA-N 1 0 245.326 0.708 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ncoc2C)C[C@@H]1C ZINC001054456538 710935263 /nfs/dbraw/zinc/93/52/63/710935263.db2.gz MZWGNUDJJLHACZ-GXSJLCMTSA-N 1 0 247.298 0.666 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC001054472057 710935704 /nfs/dbraw/zinc/93/57/04/710935704.db2.gz ZQOODGHKHWSPHA-SKDRFNHKSA-N 1 0 248.330 0.954 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1C ZINC001054488115 710935906 /nfs/dbraw/zinc/93/59/06/710935906.db2.gz OZNWNUSFVOMQFP-BXKDBHETSA-N 1 0 248.330 0.954 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)Cc2ccon2)C[C@@H]1C ZINC001054482620 710935964 /nfs/dbraw/zinc/93/59/64/710935964.db2.gz NHILFEMPTHZNMJ-JQWIXIFHSA-N 1 0 247.298 0.287 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cocn2)C[C@@H]1C ZINC001054469070 710935973 /nfs/dbraw/zinc/93/59/73/710935973.db2.gz DEGKOLAGTWIFDK-UWVGGRQHSA-N 1 0 233.271 0.358 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@H]1C ZINC001054476728 710936496 /nfs/dbraw/zinc/93/64/96/710936496.db2.gz ABXQNXLSMBMHPF-BXKDBHETSA-N 1 0 246.314 0.401 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cn(C)cn2)C[C@H]1C ZINC001054560845 710938503 /nfs/dbraw/zinc/93/85/03/710938503.db2.gz VQWHSTHZPZYQLS-MNOVXSKESA-N 1 0 246.314 0.103 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@H]1C ZINC001054589006 710939217 /nfs/dbraw/zinc/93/92/17/710939217.db2.gz MHNXOIDYVYAXSR-ZYHUDNBSSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2coc(C)n2)C[C@@H]1C ZINC001054588514 710939487 /nfs/dbraw/zinc/93/94/87/710939487.db2.gz QXBRHIPZOXOUFS-GXSJLCMTSA-N 1 0 247.298 0.666 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001054637122 710939997 /nfs/dbraw/zinc/93/99/97/710939997.db2.gz LZRQBRBTUVFSST-AAEUAGOBSA-N 1 0 230.311 0.470 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C ZINC001054641233 710940085 /nfs/dbraw/zinc/94/00/85/710940085.db2.gz GIDPBRWNHJNMEV-ZJUUUORDSA-N 1 0 234.303 0.646 20 30 BCEDRO CC[NH2+][C@@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001054646714 710940444 /nfs/dbraw/zinc/94/04/44/710940444.db2.gz AKYWWSLQJHZMNV-CMPLNLGQSA-N 1 0 220.316 0.856 20 30 BCEDRO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@H]1[NH2+]CCF ZINC001054655787 710940672 /nfs/dbraw/zinc/94/06/72/710940672.db2.gz JDCJZSZIPJJENW-ZYHUDNBSSA-N 1 0 238.306 0.806 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cnco2)C[C@@H]1C ZINC001054947048 710942674 /nfs/dbraw/zinc/94/26/74/710942674.db2.gz WDLUAKZQQZYGTG-UWVGGRQHSA-N 1 0 233.271 0.358 20 30 BCEDRO C#CC[NH+]1CCC2(CN(C(=O)[C@@H](C)C#N)C2)CC1 ZINC001050460912 710953252 /nfs/dbraw/zinc/95/32/52/710953252.db2.gz AKXPWRAGOURKHE-LBPRGKRZSA-N 1 0 245.326 0.704 20 30 BCEDRO C=CC[N@@H+](C[C@](C)(O)C(=O)OC)C(C)C ZINC000384031740 710987845 /nfs/dbraw/zinc/98/78/45/710987845.db2.gz ZKLSFTKEECSXBM-NSHDSACASA-N 1 0 215.293 0.807 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)Cn1cccn1 ZINC000384133197 710988795 /nfs/dbraw/zinc/98/87/95/710988795.db2.gz CUXOMXWWRSZIEC-NWDGAFQWSA-N 1 0 221.304 0.636 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000384133199 710989592 /nfs/dbraw/zinc/98/95/92/710989592.db2.gz CUXOMXWWRSZIEC-VXGBXAGGSA-N 1 0 221.304 0.636 20 30 BCEDRO C#C[C@](C)(CC)NC[C@@H](O)C[N@@H+](C)CC ZINC000384130155 710989644 /nfs/dbraw/zinc/98/96/44/710989644.db2.gz AIXDSUOYPCTWHX-VXGBXAGGSA-N 1 0 212.337 0.691 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)C2CC2)CC1 ZINC000068990701 711021884 /nfs/dbraw/zinc/02/18/84/711021884.db2.gz PAYOVAPOOXUUCQ-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO CCC(CC)[C@H](O)CNC(NC)=[NH+]C ZINC000386361850 711028315 /nfs/dbraw/zinc/02/83/15/711028315.db2.gz ZNBXUYCNNWOHPN-SECBINFHSA-N 1 0 201.314 0.578 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NCCC#N)[C@@H]1CCCOC1 ZINC000388925665 711070731 /nfs/dbraw/zinc/07/07/31/711070731.db2.gz BBXRYKWBHRABHI-GHMZBOCLSA-N 1 0 239.319 0.421 20 30 BCEDRO C#CCOCC[NH2+][C@H](C)c1cnn(C)c1 ZINC000389608562 711082681 /nfs/dbraw/zinc/08/26/81/711082681.db2.gz ZTDKNYPNPDWJQG-SNVBAGLBSA-N 1 0 207.277 0.721 20 30 BCEDRO CC[N@@H+]1CCCN(CCO[C@H](C)C#N)CC1 ZINC000390401657 711115424 /nfs/dbraw/zinc/11/54/24/711115424.db2.gz ANVAOVXNKDUSGN-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C1CCN(C)CC1 ZINC000390650255 711130716 /nfs/dbraw/zinc/13/07/16/711130716.db2.gz OZXHWRRCTDKGCK-UHFFFAOYSA-N 1 0 246.376 0.271 20 30 BCEDRO COCCCN[NH+]=C(C)c1ccc(N)nc1 ZINC000393463863 711160125 /nfs/dbraw/zinc/16/01/25/711160125.db2.gz HMNGDEVISPAREF-UHFFFAOYSA-N 1 0 222.292 0.844 20 30 BCEDRO C=CCOCC[NH2+]C1CCN(C=O)CC1 ZINC000393624581 711166326 /nfs/dbraw/zinc/16/63/26/711166326.db2.gz RKYHDZYXDYZAPC-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1cnn(CCOC)c1 ZINC000393630161 711167037 /nfs/dbraw/zinc/16/70/37/711167037.db2.gz IICJAPIIISZQRO-SNVBAGLBSA-N 1 0 207.277 0.641 20 30 BCEDRO CC#CC[N@@H+]1C[C@H](NC(C)=O)CC[C@H]1C ZINC001071289788 711185851 /nfs/dbraw/zinc/18/58/51/711185851.db2.gz XJJSFZFWYMTXKL-ZYHUDNBSSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCNC(=O)CN(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000394172243 711187667 /nfs/dbraw/zinc/18/76/67/711187667.db2.gz DPMZPBRGRTXSSP-FUNVUKJBSA-N 1 0 249.358 0.293 20 30 BCEDRO CNC(NCC1(CO)CCCCC1)=[NH+]C ZINC000395096662 711202036 /nfs/dbraw/zinc/20/20/36/711202036.db2.gz CLTWNGGRDVTYKG-UHFFFAOYSA-N 1 0 213.325 0.724 20 30 BCEDRO C=CC[N@H+]1C[C@H](NC(=O)c2nnc[nH]2)CC[C@@H]1C ZINC001071907485 711209074 /nfs/dbraw/zinc/20/90/74/711209074.db2.gz AAGSENRBZQIDDT-VHSXEESVSA-N 1 0 249.318 0.573 20 30 BCEDRO CCNC(NCC(C)(C)CO)=[NH+]CC ZINC000395776133 711216211 /nfs/dbraw/zinc/21/62/11/711216211.db2.gz NHGJOIRGKAWIHV-UHFFFAOYSA-N 1 0 201.314 0.580 20 30 BCEDRO CCNC(NC[C@](C)(O)CSC)=[NH+]CC ZINC000395857215 711217325 /nfs/dbraw/zinc/21/73/25/711217325.db2.gz RWWXGKCVZWNXHU-JTQLQIEISA-N 1 0 233.381 0.675 20 30 BCEDRO C=CC[N@@H+]1CCC2(CN(C(=O)c3ncc[nH]3)C2)C1 ZINC001072710353 711394294 /nfs/dbraw/zinc/39/42/94/711394294.db2.gz CVZIWGFCKFTKHQ-UHFFFAOYSA-N 1 0 246.314 0.744 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H](O)CC[C@H]1C ZINC000399175639 711423086 /nfs/dbraw/zinc/42/30/86/711423086.db2.gz QBKOOLUOEOMVGN-MXWKQRLJSA-N 1 0 212.293 0.760 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000399994312 711437205 /nfs/dbraw/zinc/43/72/05/711437205.db2.gz IRVUGBFZGQXIPE-LLVKDONJSA-N 1 0 206.289 0.468 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CC2)C[C@H]1C ZINC000381257159 710613315 /nfs/dbraw/zinc/61/33/15/710613315.db2.gz QYKZXBXLWHEAOU-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2c(C)ncn2C)C1 ZINC001014825858 710613913 /nfs/dbraw/zinc/61/39/13/710613913.db2.gz XSOUAFUQCBTFGQ-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CCCC1 ZINC000381480115 710643547 /nfs/dbraw/zinc/64/35/47/710643547.db2.gz CNQHOUREWJCDCB-NXEZZACHSA-N 1 0 207.277 0.404 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cncnc2C)C1 ZINC001019999900 710673154 /nfs/dbraw/zinc/67/31/54/710673154.db2.gz BEEQSKBHZPNGEK-XYPYZODXSA-N 1 0 246.314 0.821 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2OCC)C1 ZINC001019999215 710673408 /nfs/dbraw/zinc/67/34/08/710673408.db2.gz GJKKNTCCJAKXHG-DDHJBXDOSA-N 1 0 238.331 0.834 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)C1=CCOCC1 ZINC001038190739 710678421 /nfs/dbraw/zinc/67/84/21/710678421.db2.gz OCWKYNOQQORKRN-ZDUSSCGKSA-N 1 0 248.326 0.547 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC001044655879 710829105 /nfs/dbraw/zinc/82/91/05/710829105.db2.gz FHNZZORXAWQOPR-VHSXEESVSA-N 1 0 247.302 0.021 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)[C@H](C)C1 ZINC001044655877 710829862 /nfs/dbraw/zinc/82/98/62/710829862.db2.gz FHNZZORXAWQOPR-NXEZZACHSA-N 1 0 247.302 0.021 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@H](C)C(=O)NCCCOC ZINC000384218769 710834714 /nfs/dbraw/zinc/83/47/14/710834714.db2.gz RMWRHAIMXMTMKT-YPMHNXCESA-N 1 0 240.347 0.919 20 30 BCEDRO C#CC[NH+]1CCC(C)(NC(=O)c2ncc[nH]2)CC1 ZINC001045433666 710839732 /nfs/dbraw/zinc/83/97/32/710839732.db2.gz LHXOOVCYBNUVIP-UHFFFAOYSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)c2cc(C)n[nH]2)C1 ZINC001046169209 710851551 /nfs/dbraw/zinc/85/15/51/710851551.db2.gz MPQGOLSJFRZGEK-ZDUSSCGKSA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2cc(C)n[nH]2)C1 ZINC001046169208 710851847 /nfs/dbraw/zinc/85/18/47/710851847.db2.gz MPQGOLSJFRZGEK-CYBMUJFWSA-N 1 0 246.314 0.546 20 30 BCEDRO C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046161403 710852049 /nfs/dbraw/zinc/85/20/49/710852049.db2.gz XSDZHNDWVKEZPL-CYBMUJFWSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)c2cc[nH]c2)C1 ZINC001046335228 710860074 /nfs/dbraw/zinc/86/00/74/710860074.db2.gz GMOVEKYNPMJJKN-CYBMUJFWSA-N 1 0 231.299 0.842 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3cc[nH]c3)C[C@H]2C1 ZINC001048835131 710888742 /nfs/dbraw/zinc/88/87/42/710888742.db2.gz NLUDYTUPKVKQMW-BETUJISGSA-N 1 0 243.310 0.652 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3CC34CC4)C[C@H]2C1 ZINC001049080676 710894303 /nfs/dbraw/zinc/89/43/03/710894303.db2.gz XFYJEZDPNNADLZ-XQQFMLRXSA-N 1 0 244.338 0.810 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cnon2)CC1 ZINC001052809585 710917482 /nfs/dbraw/zinc/91/74/82/710917482.db2.gz JJZSEXOJZFAINK-SNVBAGLBSA-N 1 0 248.286 0.287 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1C ZINC001054415261 710934095 /nfs/dbraw/zinc/93/40/95/710934095.db2.gz NEBBACAHLCCRSL-ONGXEEELSA-N 1 0 232.287 0.093 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2(C)CC2)C[C@H]1C ZINC001054670726 710941149 /nfs/dbraw/zinc/94/11/49/710941149.db2.gz INECSWIOOBJJTE-GHMZBOCLSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C2(C)CC2)C[C@H]1C ZINC001054670727 710941455 /nfs/dbraw/zinc/94/14/55/710941455.db2.gz INECSWIOOBJJTE-MNOVXSKESA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccns2)C[C@H]1C ZINC001054708604 710941804 /nfs/dbraw/zinc/94/18/04/710941804.db2.gz FFPICWUXYJEYAD-NXEZZACHSA-N 1 0 249.339 0.826 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2n[nH]nc2C)C[C@@H]1C ZINC001054963110 710943655 /nfs/dbraw/zinc/94/36/55/710943655.db2.gz WYUJKYFCWHYFND-WPRPVWTQSA-N 1 0 249.318 0.349 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@@H](C)C1(C)CC1 ZINC000385301438 711009318 /nfs/dbraw/zinc/00/93/18/711009318.db2.gz MQELTWCKLUHJMA-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO CCNC(NCc1nnc(CC)[nH]1)=[NH+]CC ZINC000392547347 711148922 /nfs/dbraw/zinc/14/89/22/711148922.db2.gz YRAMQYWTAUCDLA-UHFFFAOYSA-N 1 0 224.312 0.442 20 30 BCEDRO C#CCN1C[C@@H](NC(=O)c2cn[nH]c2)CC[C@@H]1C ZINC001071369022 711189952 /nfs/dbraw/zinc/18/99/52/711189952.db2.gz LKPPPDQTTHBPHH-JQWIXIFHSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CCN1C[C@H](NC(=O)c2cn[nH]c2)CC[C@@H]1C ZINC001071369021 711190141 /nfs/dbraw/zinc/19/01/41/711190141.db2.gz LKPPPDQTTHBPHH-CMPLNLGQSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CCN1C[C@H](NC(=O)c2cn[nH]c2)CC[C@H]1C ZINC001071369024 711190236 /nfs/dbraw/zinc/19/02/36/711190236.db2.gz LKPPPDQTTHBPHH-ZYHUDNBSSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CCN1C[C@H](NC(=O)c2ccn[nH]2)CC[C@@H]1C ZINC001071366649 711190413 /nfs/dbraw/zinc/19/04/13/711190413.db2.gz QVDNXSKLLXVTNG-WDEREUQCSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)CCC)C2)C1 ZINC001072397978 711368550 /nfs/dbraw/zinc/36/85/50/711368550.db2.gz RJWGMIGEHXYYHZ-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C=CC[N@H+]1CCC2(CN(C(=O)[C@@H](C)OC)C2)C1 ZINC001072526348 711379427 /nfs/dbraw/zinc/37/94/27/711379427.db2.gz VECKGSXKAZUYFS-LLVKDONJSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CC(=O)N(C)OC ZINC000397469904 711383661 /nfs/dbraw/zinc/38/36/61/711383661.db2.gz UOOKNHXYYBZPDA-VIFPVBQESA-N 1 0 200.282 0.951 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CC(=O)N(C)OC ZINC000397469903 711384030 /nfs/dbraw/zinc/38/40/30/711384030.db2.gz UOOKNHXYYBZPDA-SECBINFHSA-N 1 0 200.282 0.951 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)OC)[C@H]1C ZINC001074550998 711442915 /nfs/dbraw/zinc/44/29/15/711442915.db2.gz PGYCRZWKXFLOOQ-DCAQKATOSA-N 1 0 226.320 0.786 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)CC)[C@H]1C ZINC001074801246 711444643 /nfs/dbraw/zinc/44/46/43/711444643.db2.gz PLIPVCMQUMTJNR-DCAQKATOSA-N 1 0 226.295 0.947 20 30 BCEDRO C[C@@H](C(=O)NCC#C[C@H]1CCCCO1)[NH+](C)C ZINC000891113203 711483321 /nfs/dbraw/zinc/48/33/21/711483321.db2.gz VWQTUWJHFVTGFZ-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO CCNC(NCC(C)(C)S(C)(=O)=O)=[NH+]CC ZINC000304669392 711489685 /nfs/dbraw/zinc/48/96/85/711489685.db2.gz BTYPJOPWLDKVGD-UHFFFAOYSA-N 1 0 249.380 0.385 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000971024162 711494890 /nfs/dbraw/zinc/49/48/90/711494890.db2.gz DQYSRNJLTCNUCU-LLVKDONJSA-N 1 0 247.298 0.763 20 30 BCEDRO CCNC(NCC[C@@H]1CC(=O)N(C)C1)=[NH+]CC ZINC000723386277 711509768 /nfs/dbraw/zinc/50/97/68/711509768.db2.gz AQNBKTFTADJAFZ-SNVBAGLBSA-N 1 0 240.351 0.430 20 30 BCEDRO CCC1(CC)CNC(=O)[C@@H]1[NH2+]CC#CCOC ZINC000933287961 711511101 /nfs/dbraw/zinc/51/11/01/711511101.db2.gz GUTZNBLSJPKYMS-NSHDSACASA-N 1 0 238.331 0.531 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001021967386 711511907 /nfs/dbraw/zinc/51/19/07/711511907.db2.gz ABVKPITYQXKEND-GRYCIOLGSA-N 1 0 238.331 0.978 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001021981016 711512327 /nfs/dbraw/zinc/51/23/27/711512327.db2.gz HZPWMHOSPJJRTC-PHIMTYICSA-N 1 0 242.282 0.370 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001021981167 711512360 /nfs/dbraw/zinc/51/23/60/711512360.db2.gz PHBPABQCEQPNCC-PHIMTYICSA-N 1 0 244.298 0.923 20 30 BCEDRO C#CCC1([NH2+]CCCN2C(=O)CNC2=O)CCC1 ZINC000933302715 711515907 /nfs/dbraw/zinc/51/59/07/711515907.db2.gz WCHQEWKCGJUQIZ-UHFFFAOYSA-N 1 0 249.314 0.464 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000151826483 711574784 /nfs/dbraw/zinc/57/47/84/711574784.db2.gz HVKYYJMYBGBLNI-LBPRGKRZSA-N 1 0 238.331 0.436 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cnccn1 ZINC000716929337 711588314 /nfs/dbraw/zinc/58/83/14/711588314.db2.gz RLUXTVGUWXTMPN-JTQLQIEISA-N 1 0 205.261 0.605 20 30 BCEDRO C#C[C@H]1CCCC[N@@H+]1CCn1cnnn1 ZINC000934520040 711591547 /nfs/dbraw/zinc/59/15/47/711591547.db2.gz WFAHRAKHLYIZHT-JTQLQIEISA-N 1 0 205.265 0.161 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnon2)C1 ZINC000972581350 711636363 /nfs/dbraw/zinc/63/63/63/711636363.db2.gz LQZDJSTVXZVTFH-VIFPVBQESA-N 1 0 236.275 0.402 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@H](CCO)C1CCCC1 ZINC000725115297 711652575 /nfs/dbraw/zinc/65/25/75/711652575.db2.gz NYXUHPKYWYJKRB-LLVKDONJSA-N 1 0 239.319 0.157 20 30 BCEDRO C#CCNC(=O)C[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000066531496 711674518 /nfs/dbraw/zinc/67/45/18/711674518.db2.gz ZGILTDBTSKGVMS-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C[N@H+](CCOCCC#N)C(C)(C)CO ZINC000395517008 711695013 /nfs/dbraw/zinc/69/50/13/711695013.db2.gz TUCZJZUYTLCPDS-UHFFFAOYSA-N 1 0 200.282 0.619 20 30 BCEDRO C=CC[N@H+]1CCC[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001006713653 711728552 /nfs/dbraw/zinc/72/85/52/711728552.db2.gz QPISYAPPYFKBNH-LBPRGKRZSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001027824501 711736542 /nfs/dbraw/zinc/73/65/42/711736542.db2.gz JGCPGUWZLNMBLE-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001027872489 711740087 /nfs/dbraw/zinc/74/00/87/711740087.db2.gz RXHJKDMQBKQDRU-JTQLQIEISA-N 1 0 232.287 0.237 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCOC3)[C@@H]2C1 ZINC001075600488 711755917 /nfs/dbraw/zinc/75/59/17/711755917.db2.gz WAAWFPLBFQDDNN-RWMBFGLXSA-N 1 0 248.326 0.189 20 30 BCEDRO CC[N@H+](CCNC(=O)NCCC#N)C1CC1 ZINC000426433480 711764328 /nfs/dbraw/zinc/76/43/28/711764328.db2.gz PWRSFRRUQDQAGH-UHFFFAOYSA-N 1 0 224.308 0.684 20 30 BCEDRO N#CCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000426432734 711764409 /nfs/dbraw/zinc/76/44/09/711764409.db2.gz YXXOZTGVULUQGJ-MNOVXSKESA-N 1 0 236.319 0.826 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cc(F)c[nH]2)C1 ZINC001028697284 711766843 /nfs/dbraw/zinc/76/68/43/711766843.db2.gz MJTDLXQHXOGXAY-SNVBAGLBSA-N 1 0 249.289 0.839 20 30 BCEDRO CCCNC(=O)CCNC(=[NH2+])N1CCCCC1 ZINC000303863239 711772424 /nfs/dbraw/zinc/77/24/24/711772424.db2.gz ACGUFGLTSLJYJC-UHFFFAOYSA-N 1 0 240.351 0.703 20 30 BCEDRO COC(=O)c1nccnc1NCC#CC[NH+](C)C ZINC000894875952 711774160 /nfs/dbraw/zinc/77/41/60/711774160.db2.gz JMNUZJHJPYLYDA-UHFFFAOYSA-N 1 0 248.286 0.240 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ncc[nH]3)[C@@H]2C1 ZINC001075770710 711774195 /nfs/dbraw/zinc/77/41/95/711774195.db2.gz IMZZDOLKPRLLPP-WDEREUQCSA-N 1 0 244.298 0.189 20 30 BCEDRO CN1CC[C@H]1CNC(=O)C#Cc1ccccc1 ZINC000928563888 711778540 /nfs/dbraw/zinc/77/85/40/711778540.db2.gz OWIAXUYBXQFBSX-ZDUSSCGKSA-N 1 0 228.295 0.858 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](O)CC(C)(C)O ZINC000872214708 711789422 /nfs/dbraw/zinc/78/94/22/711789422.db2.gz BUGIFYUITPJKQP-WDEREUQCSA-N 1 0 231.336 0.283 20 30 BCEDRO CC(=O)N1CCC[N@@H+](CCO[C@@H](C)C#N)CC1 ZINC000384150536 711793126 /nfs/dbraw/zinc/79/31/26/711793126.db2.gz PVXQZHXCRVMKRV-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ncn(C)n2)C1 ZINC000988786564 711797102 /nfs/dbraw/zinc/79/71/02/711797102.db2.gz RKJLHENGYUDRMV-NXEZZACHSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2nccn2)C1 ZINC000988887698 711797447 /nfs/dbraw/zinc/79/74/47/711797447.db2.gz WPWODQJMNWYFMP-QWRGUYRKSA-N 1 0 249.318 0.043 20 30 BCEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(F)F)C1 ZINC001076659896 711807426 /nfs/dbraw/zinc/80/74/26/711807426.db2.gz OOIOSQXWHXGPPN-RKDXNWHRSA-N 1 0 248.273 0.379 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)CC2CC2)C1 ZINC001076673141 711807846 /nfs/dbraw/zinc/80/78/46/711807846.db2.gz ZSTJWNBGUWNOSX-VXGBXAGGSA-N 1 0 238.331 0.524 20 30 BCEDRO CC(C)(C#N)C[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905202265 711812650 /nfs/dbraw/zinc/81/26/50/711812650.db2.gz GSBNKBWQCMIQQH-SNVBAGLBSA-N 1 0 242.319 0.028 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](O)C1(C)C ZINC000907535414 711815794 /nfs/dbraw/zinc/81/57/94/711815794.db2.gz SPEGDIQOIFVRAL-QWRGUYRKSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CCN(C(=O)[C@@H](C)[NH+](C)C)C1CSC1 ZINC000912362742 711820386 /nfs/dbraw/zinc/82/03/86/711820386.db2.gz VPLRGVDOWBZYKR-SECBINFHSA-N 1 0 226.345 0.514 20 30 BCEDRO Cc1ncc(CC(=O)NCC#CC[NH+](C)C)o1 ZINC000913524369 711823479 /nfs/dbraw/zinc/82/34/79/711823479.db2.gz KIANHVBNTFOLLO-UHFFFAOYSA-N 1 0 235.287 0.207 20 30 BCEDRO C[C@@H](C(=O)NCC#CC[NH+](C)C)[C@@H]1CCCO1 ZINC000913524420 711823537 /nfs/dbraw/zinc/82/35/37/711823537.db2.gz MHVFSAWTWTZDIO-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO CCO[C@H](C(=O)NCC#CC[NH+](C)C)C1CC1 ZINC000913524428 711823643 /nfs/dbraw/zinc/82/36/43/711823643.db2.gz MMBDZULUUYMUCB-LBPRGKRZSA-N 1 0 238.331 0.483 20 30 BCEDRO CCn1cc(C(=O)NCC#CC[NH+](C)C)c(C)n1 ZINC000913524661 711823664 /nfs/dbraw/zinc/82/36/64/711823664.db2.gz XBFNKJAAMPKZPH-UHFFFAOYSA-N 1 0 248.330 0.506 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCOC1 ZINC001038099314 711824952 /nfs/dbraw/zinc/82/49/52/711824952.db2.gz WNFKTESXFFUCJQ-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO N#Cc1cncc(N2C[C@H]3CCC[C@@H](C2)[NH2+]3)n1 ZINC000592466403 711829500 /nfs/dbraw/zinc/82/95/00/711829500.db2.gz FXBWLXKNVTYBMV-AOOOYVTPSA-N 1 0 229.287 0.679 20 30 BCEDRO CN(C)C(=[NH2+])NCc1cccc(C#N)c1 ZINC000170912059 711837944 /nfs/dbraw/zinc/83/79/44/711837944.db2.gz QSQCAJRKXZRQPT-UHFFFAOYSA-N 1 0 202.261 0.935 20 30 BCEDRO CC(C)[C@@](C)(C#N)NC(=O)C[NH2+]C(C)(C)CO ZINC000916572278 711873086 /nfs/dbraw/zinc/87/30/86/711873086.db2.gz AFWIXCDODIVTHM-GFCCVEGCSA-N 1 0 241.335 0.401 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H](C)C1 ZINC000703664622 711876887 /nfs/dbraw/zinc/87/68/87/711876887.db2.gz YCJGMCLMZSCNKL-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO CC(C)[NH+]1CC(CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC001031624607 711879629 /nfs/dbraw/zinc/87/96/29/711879629.db2.gz ZMLAQEGUSWNMOX-UHFFFAOYSA-N 1 0 246.314 0.956 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cc2ccon2)C1 ZINC000998772511 711930795 /nfs/dbraw/zinc/93/07/95/711930795.db2.gz VPZWHUADQDZZOI-GFCCVEGCSA-N 1 0 247.298 0.431 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](NC(=O)C(F)F)C12CCC2 ZINC001078521173 711943039 /nfs/dbraw/zinc/94/30/39/711943039.db2.gz LXLPLHYUDPVRQE-BDAKNGLRSA-N 1 0 242.269 0.902 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C(F)F)C[C@@H]1C ZINC001054305607 711946351 /nfs/dbraw/zinc/94/63/51/711946351.db2.gz MDDTYSYKTHNGIH-JGVFFNPUSA-N 1 0 216.231 0.321 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)COC)C[C@@H]1C ZINC001054303757 711946411 /nfs/dbraw/zinc/94/64/11/711946411.db2.gz RNMCYHRACXJOGY-UWVGGRQHSA-N 1 0 212.293 0.255 20 30 BCEDRO CC#CC[NH+]1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC001002769100 711951860 /nfs/dbraw/zinc/95/18/60/711951860.db2.gz LERZBXYNKKGPHF-UHFFFAOYSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001038083593 711952675 /nfs/dbraw/zinc/95/26/75/711952675.db2.gz QVOSBWZPIYPIRS-SNVBAGLBSA-N 1 0 232.287 0.237 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001038085766 711955891 /nfs/dbraw/zinc/95/58/91/711955891.db2.gz HQVPVWCQEFBKCY-LLVKDONJSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)Cn2cccn2)C1 ZINC001032905761 711966808 /nfs/dbraw/zinc/96/68/08/711966808.db2.gz OGRSJFDPAPHCIO-LBPRGKRZSA-N 1 0 246.314 0.049 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC001032897093 711966951 /nfs/dbraw/zinc/96/69/51/711966951.db2.gz TZDHTYZGCIZQSE-LBPRGKRZSA-N 1 0 248.330 0.752 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)C2=COCCC2)C1 ZINC001032939735 711969254 /nfs/dbraw/zinc/96/92/54/711969254.db2.gz FQXRXCVTTCCGOJ-CYBMUJFWSA-N 1 0 248.326 0.847 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cnnn2C)C1 ZINC001033056641 711972742 /nfs/dbraw/zinc/97/27/42/711972742.db2.gz GCHJJZJDYGYMIF-JTQLQIEISA-N 1 0 249.318 0.147 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001033065280 711973561 /nfs/dbraw/zinc/97/35/61/711973561.db2.gz NBGBDOMSMZQCFJ-NSHDSACASA-N 1 0 246.314 0.579 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001033070110 711973947 /nfs/dbraw/zinc/97/39/47/711973947.db2.gz VZTSOJGXSNQSDD-SNVBAGLBSA-N 1 0 234.303 0.742 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2cnoc2)C1 ZINC001033355846 711987530 /nfs/dbraw/zinc/98/75/30/711987530.db2.gz GMOBGNOKYLEVQG-GFCCVEGCSA-N 1 0 247.298 0.383 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)COc1ccc(C#N)cc1 ZINC000700292640 711988860 /nfs/dbraw/zinc/98/88/60/711988860.db2.gz BBNYMWQCDVEHAW-VIFPVBQESA-N 1 0 233.271 0.400 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000700445873 711995180 /nfs/dbraw/zinc/99/51/80/711995180.db2.gz OLVHHKLWKXSLJE-GRYCIOLGSA-N 1 0 238.331 0.075 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)Cc2ccco2)C1 ZINC001033516601 711998781 /nfs/dbraw/zinc/99/87/81/711998781.db2.gz BXAXVBCVCSWJOM-GFCCVEGCSA-N 1 0 246.310 0.988 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ccco2)C1 ZINC001033516602 711999144 /nfs/dbraw/zinc/99/91/44/711999144.db2.gz BXAXVBCVCSWJOM-LBPRGKRZSA-N 1 0 246.310 0.988 20 30 BCEDRO C=CCOCCCNC(=O)C[C@@H]([NH3+])C1CC1 ZINC000700796419 712005976 /nfs/dbraw/zinc/00/59/76/712005976.db2.gz WHHPICTUXMWRCU-LLVKDONJSA-N 1 0 226.320 0.823 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000700970914 712010778 /nfs/dbraw/zinc/01/07/78/712010778.db2.gz IMYFIWUGQGPWGR-UWVGGRQHSA-N 1 0 247.298 0.789 20 30 BCEDRO Cc1cc(C#N)nc(N(C)CC[N@H+](C)CCO)n1 ZINC000700999171 712011032 /nfs/dbraw/zinc/01/10/32/712011032.db2.gz ROEKYOLKXOYKHY-UHFFFAOYSA-N 1 0 249.318 0.017 20 30 BCEDRO C[C@@H](Oc1ccccc1C#N)C(=O)N[C@@H](C)C[NH3+] ZINC000700970915 712011163 /nfs/dbraw/zinc/01/11/63/712011163.db2.gz IMYFIWUGQGPWGR-VHSXEESVSA-N 1 0 247.298 0.789 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000701036754 712012975 /nfs/dbraw/zinc/01/29/75/712012975.db2.gz YZTAITBAQHMCRV-HTFCKZLJSA-N 1 0 238.331 0.526 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000701389416 712022286 /nfs/dbraw/zinc/02/22/86/712022286.db2.gz GVLRHOYCIILOFA-UWVGGRQHSA-N 1 0 247.298 0.789 20 30 BCEDRO C=CC(C)(C)CCNS(=O)(=O)C1C[NH2+]C1 ZINC000701904172 712031835 /nfs/dbraw/zinc/03/18/35/712031835.db2.gz DCCZBBYFPYTPKZ-UHFFFAOYSA-N 1 0 232.349 0.480 20 30 BCEDRO C#CCCC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000702237917 712043095 /nfs/dbraw/zinc/04/30/95/712043095.db2.gz OWYZUFXSHJYHHP-BETUJISGSA-N 1 0 225.332 0.713 20 30 BCEDRO C#CC[N@H+]1CCCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC001034196740 712049956 /nfs/dbraw/zinc/04/99/56/712049956.db2.gz DZBITULMZRIYNC-LLVKDONJSA-N 1 0 246.314 0.627 20 30 BCEDRO C[N@@H+]1C[C@@H]2CN(c3cc(C#N)ncn3)C[C@]2(C)C1 ZINC000702405570 712050792 /nfs/dbraw/zinc/05/07/92/712050792.db2.gz QEACSGWGFKLGPS-MFKMUULPSA-N 1 0 243.314 0.736 20 30 BCEDRO C#CCNC(=O)[C@@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000702422375 712052452 /nfs/dbraw/zinc/05/24/52/712052452.db2.gz CKDHSNBLTNKXLL-ZDUSSCGKSA-N 1 0 245.326 0.195 20 30 BCEDRO C#CCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000702422372 712052460 /nfs/dbraw/zinc/05/24/60/712052460.db2.gz CKDHSNBLTNKXLL-CYBMUJFWSA-N 1 0 245.326 0.195 20 30 BCEDRO C[N@@H+]1CC[C@@](O)(CNCC#Cc2ccccc2)C1 ZINC000702640055 712058226 /nfs/dbraw/zinc/05/82/26/712058226.db2.gz IIXMDSNOHYIQSW-OAHLLOKOSA-N 1 0 244.338 0.694 20 30 BCEDRO C=CCC[N@H+]1CCCC[C@@H](NC(=O)C(N)=O)C1 ZINC001034371784 712061392 /nfs/dbraw/zinc/06/13/92/712061392.db2.gz FPHPYXWBKLYYLF-SNVBAGLBSA-N 1 0 239.319 0.019 20 30 BCEDRO C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2ccon2)CC1 ZINC001034602063 712070028 /nfs/dbraw/zinc/07/00/28/712070028.db2.gz UOYKCTNLIUXJED-XYPYZODXSA-N 1 0 247.298 0.938 20 30 BCEDRO C=C(Br)CNC(=O)C1CC([NH3+])C1 ZINC000703535367 712077862 /nfs/dbraw/zinc/07/78/62/712077862.db2.gz PZWMBZZPDBCMMU-UHFFFAOYSA-N 1 0 233.109 0.749 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(c1cccc(C#N)n1)C2 ZINC000703618079 712081550 /nfs/dbraw/zinc/08/15/50/712081550.db2.gz BHMDNKAHIFFYHP-GXFFZTMASA-N 1 0 228.299 0.999 20 30 BCEDRO C=CC[C@H]1CCCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000703644716 712082954 /nfs/dbraw/zinc/08/29/54/712082954.db2.gz XJWCWIOZVLTMTB-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO CCCCCCCNS(=O)(=O)C1C[NH2+]C1 ZINC000703715784 712084470 /nfs/dbraw/zinc/08/44/70/712084470.db2.gz CVZFWROCIGEWJJ-UHFFFAOYSA-N 1 0 234.365 0.848 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000704338134 712104456 /nfs/dbraw/zinc/10/44/56/712104456.db2.gz IUXZVVORGJLJPA-LPEHRKFASA-N 1 0 225.292 0.111 20 30 BCEDRO C#CCNC(=O)CN(C)C[C@H]1CCC[N@H+](C)C1 ZINC000705106872 712122655 /nfs/dbraw/zinc/12/26/55/712122655.db2.gz NJMWMQKGLNANRQ-LBPRGKRZSA-N 1 0 237.347 0.009 20 30 BCEDRO C=CCN(C(=O)[C@@H](N)C[NH+](C)C)C1CC1 ZINC000705274402 712127265 /nfs/dbraw/zinc/12/72/65/712127265.db2.gz LACKOGLDSBITSY-JTQLQIEISA-N 1 0 211.309 0.052 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CSC)C[C@@H]1C ZINC001035904566 712148748 /nfs/dbraw/zinc/14/87/48/712148748.db2.gz BPYMZNJEMQUQCI-QWRGUYRKSA-N 1 0 240.372 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c2)C[C@H]1C ZINC001035931632 712150428 /nfs/dbraw/zinc/15/04/28/712150428.db2.gz ANCOQHRMVNMVIN-ZYHUDNBSSA-N 1 0 246.314 0.483 20 30 BCEDRO C=C(Cl)CN(C)CCOCC[NH2+]C ZINC000706665318 712151135 /nfs/dbraw/zinc/15/11/35/712151135.db2.gz OBANFSWXLJKVAO-UHFFFAOYSA-N 1 0 206.717 0.907 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)C[C@@H]1C ZINC001036025616 712152592 /nfs/dbraw/zinc/15/25/92/712152592.db2.gz MNNVSWXEKGXZIZ-QWRGUYRKSA-N 1 0 246.314 0.483 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)C[C@H]1C ZINC001036086520 712156070 /nfs/dbraw/zinc/15/60/70/712156070.db2.gz APLQPVHPNSVJLX-NXEZZACHSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnco2)C[C@H]1C ZINC001036136858 712159336 /nfs/dbraw/zinc/15/93/36/712159336.db2.gz SXJGCTPZYVDXNZ-GHMZBOCLSA-N 1 0 247.298 0.748 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@H]([NH3+])CC ZINC000707270027 712167486 /nfs/dbraw/zinc/16/74/86/712167486.db2.gz WIVPHNVJNSRZPP-SECBINFHSA-N 1 0 228.292 0.301 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)CC1([NH3+])CC1 ZINC000707328057 712167937 /nfs/dbraw/zinc/16/79/37/712167937.db2.gz VAQUKVWGNZEYBY-UHFFFAOYSA-N 1 0 240.303 0.446 20 30 BCEDRO C#CC1(O)CC[NH+](CCO[C@@H]2CC2(F)F)CC1 ZINC000708101929 712182139 /nfs/dbraw/zinc/18/21/39/712182139.db2.gz HLUBVNICPFVJJK-SNVBAGLBSA-N 1 0 245.269 0.871 20 30 BCEDRO C#CC1(O)CC[NH+](CC(OCC)OCC)CC1 ZINC000708143307 712183179 /nfs/dbraw/zinc/18/31/79/712183179.db2.gz WTSGFUYDYSJSIK-UHFFFAOYSA-N 1 0 241.331 0.846 20 30 BCEDRO C=CC[N@H+]1CC[C@H]2CN(C(=O)COC)CC[C@H]21 ZINC001036607624 712200660 /nfs/dbraw/zinc/20/06/60/712200660.db2.gz ZAXRCQKTFLFHRK-NWDGAFQWSA-N 1 0 238.331 0.742 20 30 BCEDRO CCNC(NC[C@H]1C[C@@H](OC)C1)=[NH+]CC ZINC000709075900 712207501 /nfs/dbraw/zinc/20/75/01/712207501.db2.gz ZODDURPERWREAR-AOOOYVTPSA-N 1 0 213.325 0.986 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]2CN(C(C)=O)CC[C@@H]21 ZINC001036610792 712224352 /nfs/dbraw/zinc/22/43/52/712224352.db2.gz UOMVIMKXKCOMMQ-OLZOCXBDSA-N 1 0 220.316 0.952 20 30 BCEDRO COC[C@H](CO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709975830 712236812 /nfs/dbraw/zinc/23/68/12/712236812.db2.gz KZYCSSWEQAVDNS-UWVGGRQHSA-N 1 0 214.309 0.912 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000710710569 712254987 /nfs/dbraw/zinc/25/49/87/712254987.db2.gz KDHWMSVQJOXWHY-SECBINFHSA-N 1 0 218.684 0.234 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@@]1(COC)C[NH2+]CCO1 ZINC000710847857 712258509 /nfs/dbraw/zinc/25/85/09/712258509.db2.gz AJUQLGWOKSSHRS-PWSUYJOCSA-N 1 0 242.319 0.072 20 30 BCEDRO C#CCCS(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000711065104 712278146 /nfs/dbraw/zinc/27/81/46/712278146.db2.gz LOWKVQYCLSEHTD-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CCCS(=O)(=O)N[C@@H](C)CC[NH+](C)C ZINC000711108440 712281647 /nfs/dbraw/zinc/28/16/47/712281647.db2.gz WSDSDKCYEHUSCB-JTQLQIEISA-N 1 0 232.349 0.269 20 30 BCEDRO C#CCCS(=O)(=O)N(CC)CCC[NH+](C)C ZINC000711173796 712287406 /nfs/dbraw/zinc/28/74/06/712287406.db2.gz CKWOOJKALTWVAH-UHFFFAOYSA-N 1 0 246.376 0.613 20 30 BCEDRO C=CCOCCNC(=O)[C@]12CCC[C@H]1[NH2+]CC2 ZINC000711259791 712292134 /nfs/dbraw/zinc/29/21/34/712292134.db2.gz VXJMVXSXMGRJMB-YPMHNXCESA-N 1 0 238.331 0.837 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H]1C[NH2+]CC1(C)C ZINC000711375726 712295696 /nfs/dbraw/zinc/29/56/96/712295696.db2.gz HEJXBIVGKBDGHU-NXEZZACHSA-N 1 0 223.320 0.993 20 30 BCEDRO N#CCC1CC[NH+](CCn2cnnn2)CC1 ZINC000711938075 712339977 /nfs/dbraw/zinc/33/99/77/712339977.db2.gz BBZYIRDYWGWLEL-UHFFFAOYSA-N 1 0 220.280 0.299 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001079416579 712347969 /nfs/dbraw/zinc/34/79/69/712347969.db2.gz IBMMHFUQHRIFSV-ZYHUDNBSSA-N 1 0 231.299 0.698 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001079446854 712349245 /nfs/dbraw/zinc/34/92/45/712349245.db2.gz UDBBQGRLETXIJR-MWLCHTKSSA-N 1 0 232.287 0.093 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001079734570 712349598 /nfs/dbraw/zinc/34/95/98/712349598.db2.gz OAUNFSOZAAAOKG-CZXHOFHRSA-N 1 0 248.326 0.093 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@@H]2CC2(F)F)C1 ZINC001079667083 712349872 /nfs/dbraw/zinc/34/98/72/712349872.db2.gz LWRDGIVCYBSTCH-KXUCPTDWSA-N 1 0 242.269 0.711 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2cnoc2)C1 ZINC001080312387 712353012 /nfs/dbraw/zinc/35/30/12/712353012.db2.gz NCTUAYWCOTXDNZ-ZYHUDNBSSA-N 1 0 249.314 0.840 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001080937467 712354021 /nfs/dbraw/zinc/35/40/21/712354021.db2.gz LZHZLWCBTNJYJT-ZYHUDNBSSA-N 1 0 248.330 0.656 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001080641337 712354072 /nfs/dbraw/zinc/35/40/72/712354072.db2.gz AIVRRPKHEQKOFQ-NXEZZACHSA-N 1 0 249.318 0.431 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](O)CC1 ZINC000378752038 712358970 /nfs/dbraw/zinc/35/89/70/712358970.db2.gz VMTITDNMKVSFEQ-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCCO[C@@H](C(C)C)C1 ZINC000378872973 712365528 /nfs/dbraw/zinc/36/55/28/712365528.db2.gz SLOBNGPRQASLQN-GFCCVEGCSA-N 1 0 238.331 0.483 20 30 BCEDRO C[C@@H](O)CC[N@H+](C)CCO[C@@H](C)C#N ZINC000379491700 712385994 /nfs/dbraw/zinc/38/59/94/712385994.db2.gz RBMIXOUVLIBDKU-ZJUUUORDSA-N 1 0 200.282 0.618 20 30 BCEDRO Cc1cc(NC[C@H]2CC[N@H+]2C)c(C#N)cn1 ZINC000712593546 712435432 /nfs/dbraw/zinc/43/54/32/712435432.db2.gz ZHNGWOSIPVQVLN-LLVKDONJSA-N 1 0 216.288 0.800 20 30 BCEDRO C=C(C)CC[NH+]1CCC(C(=O)NCCO)CC1 ZINC000712611518 712437684 /nfs/dbraw/zinc/43/76/84/712437684.db2.gz WRBXYWLNQTXZLF-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCC(C(=O)NCCO)CC1 ZINC000715044727 712504792 /nfs/dbraw/zinc/50/47/92/712504792.db2.gz ZSHPWAXHZSMBDT-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO CS(=O)(=O)C1CC([NH2+]CCCC#N)C1 ZINC000715240054 712513880 /nfs/dbraw/zinc/51/38/80/712513880.db2.gz PCWBWPQSBMZPDT-UHFFFAOYSA-N 1 0 216.306 0.455 20 30 BCEDRO N#Cc1ccc(C(=O)NC23CC[NH+](CC2)C3)nc1 ZINC000715508489 712524292 /nfs/dbraw/zinc/52/42/92/712524292.db2.gz OOIDFGCOVBENBW-UHFFFAOYSA-N 1 0 242.282 0.531 20 30 BCEDRO C#Cc1ccc(C[N@H+]2CCC(CO)(CO)C2)cc1 ZINC000827474981 712593350 /nfs/dbraw/zinc/59/33/50/712593350.db2.gz QRZMMVBQUAHEAA-UHFFFAOYSA-N 1 0 245.322 0.845 20 30 BCEDRO C[C@@H](O)[C@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000379834703 712615392 /nfs/dbraw/zinc/61/53/92/712615392.db2.gz DXTXIBYZANLHRG-MXWKQRLJSA-N 1 0 212.293 0.618 20 30 BCEDRO C[C@H](C#N)OCC[N@H+]1CC[C@@H]([C@H](C)O)C1 ZINC000379834706 712615400 /nfs/dbraw/zinc/61/54/00/712615400.db2.gz DXTXIBYZANLHRG-OUAUKWLOSA-N 1 0 212.293 0.618 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCCOCC2CC2)N1 ZINC000379840556 712616444 /nfs/dbraw/zinc/61/64/44/712616444.db2.gz CWRNGLOCQQJEPO-VIFPVBQESA-N 1 0 211.309 0.740 20 30 BCEDRO C=CCOCC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@H]21 ZINC000880523705 712633539 /nfs/dbraw/zinc/63/35/39/712633539.db2.gz KNGILGSRGCLKQG-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO CC[C@H](C#N)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000379989226 712644552 /nfs/dbraw/zinc/64/45/52/712644552.db2.gz SEPPBOODYNCJJV-GRYCIOLGSA-N 1 0 235.331 0.946 20 30 BCEDRO C[C@@H](O)[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000717296755 712645536 /nfs/dbraw/zinc/64/55/36/712645536.db2.gz OQMCDYATEDHAOE-BXKDBHETSA-N 1 0 220.272 0.390 20 30 BCEDRO Cc1nc(NC[C@H](O)C[NH+](C)C)ccc1C#N ZINC000717368770 712652436 /nfs/dbraw/zinc/65/24/36/712652436.db2.gz VRWLKVCUAPGZOA-NSHDSACASA-N 1 0 234.303 0.596 20 30 BCEDRO C=CCC1(O)CC[NH+]([C@H](C)C(N)=O)CC1 ZINC000717406398 712655829 /nfs/dbraw/zinc/65/58/29/712655829.db2.gz NOMFRTQXRUOSQR-SECBINFHSA-N 1 0 212.293 0.263 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)c1ccccc1 ZINC000717531645 712660648 /nfs/dbraw/zinc/66/06/48/712660648.db2.gz HJMJZUBLJVXCQO-GFCCVEGCSA-N 1 0 205.257 0.305 20 30 BCEDRO Cc1nnc(NCC#CC[NH+](C)C)c(C#N)c1C ZINC000717625983 712661763 /nfs/dbraw/zinc/66/17/63/712661763.db2.gz DOMHNXKZASDZNZ-UHFFFAOYSA-N 1 0 243.314 0.942 20 30 BCEDRO C=CCCC(C)(C)NC(=O)[C@H](C[NH3+])OC ZINC000717612112 712662462 /nfs/dbraw/zinc/66/24/62/712662462.db2.gz XTSULPPPFIDGNY-VIFPVBQESA-N 1 0 214.309 0.821 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cc(C)ns1 ZINC000717726563 712667590 /nfs/dbraw/zinc/66/75/90/712667590.db2.gz CUCYWXGMBUFRNJ-VIFPVBQESA-N 1 0 210.302 0.925 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000717741792 712668398 /nfs/dbraw/zinc/66/83/98/712668398.db2.gz ZEIWIVLEMGWXJC-GHMZBOCLSA-N 1 0 224.304 0.019 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC000717762447 712674205 /nfs/dbraw/zinc/67/42/05/712674205.db2.gz BJPDLGOAONLUIN-NEPJUHHUSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@H](C)c1cnccn1 ZINC000717778190 712675768 /nfs/dbraw/zinc/67/57/68/712675768.db2.gz YLVBRBPCXBCHME-ZJUUUORDSA-N 1 0 205.261 0.511 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)c1ccccc1F ZINC000717785013 712676248 /nfs/dbraw/zinc/67/62/48/712676248.db2.gz AKDDCAWZKUETOT-ZWNOBZJWSA-N 1 0 237.274 0.833 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cncn1C(C)C ZINC000717812872 712680401 /nfs/dbraw/zinc/68/04/01/712680401.db2.gz DEMURMKJUKAPJF-LLVKDONJSA-N 1 0 221.304 0.938 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnn(C(C)C)c1 ZINC000717814551 712680992 /nfs/dbraw/zinc/68/09/92/712680992.db2.gz WVFVGSQGLCLNJM-GFCCVEGCSA-N 1 0 221.304 0.938 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cccc(OC)n1 ZINC000717840301 712687021 /nfs/dbraw/zinc/68/70/21/712687021.db2.gz FZSZSHBGNBUQTA-GFCCVEGCSA-N 1 0 234.299 0.954 20 30 BCEDRO C=CCS(=O)(=O)CCNCc1c[nH]cn1 ZINC000380123924 712688317 /nfs/dbraw/zinc/68/83/17/712688317.db2.gz REXKCFAXYSCMRY-UHFFFAOYSA-N 1 0 229.305 0.100 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCCOC1 ZINC000380134632 712692384 /nfs/dbraw/zinc/69/23/84/712692384.db2.gz UHPPLFWQPAPXIE-JTQLQIEISA-N 1 0 233.333 0.356 20 30 BCEDRO C=CC(C)(C)C[NH2+]CCS(C)(=O)=O ZINC000384951883 712707298 /nfs/dbraw/zinc/70/72/98/712707298.db2.gz LUUCENVTNDKPCC-UHFFFAOYSA-N 1 0 205.323 0.833 20 30 BCEDRO C#CC1(O)CC[NH+](CC2(C)COC2)CC1 ZINC000931143320 712713607 /nfs/dbraw/zinc/71/36/07/712713607.db2.gz GVTLIIRZJQZTDD-UHFFFAOYSA-N 1 0 209.289 0.483 20 30 BCEDRO N#C[C@@H]1CCC[N@@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000932154972 712716248 /nfs/dbraw/zinc/71/62/48/712716248.db2.gz UGOINCMNVVMPHD-UWVGGRQHSA-N 1 0 207.277 0.358 20 30 BCEDRO C=C(Br)CNC(=[NH2+])NCCOC ZINC000195522750 712730588 /nfs/dbraw/zinc/73/05/88/712730588.db2.gz VMLSYTCCCSDRSB-UHFFFAOYSA-N 1 0 236.113 0.446 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@](C)(O)C(F)(F)F ZINC000717901401 712732601 /nfs/dbraw/zinc/73/26/01/712732601.db2.gz VTXZRQUQGRFOKG-BDAKNGLRSA-N 1 0 239.237 0.664 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000718989685 712792142 /nfs/dbraw/zinc/79/21/42/712792142.db2.gz SJFMMFWJRQJRQJ-NSHDSACASA-N 1 0 225.288 0.331 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)C2(C#N)CCC2)CC[N@@H+]1C ZINC000719354590 712805284 /nfs/dbraw/zinc/80/52/84/712805284.db2.gz NELWEWVUSRHQJB-ZJUUUORDSA-N 1 0 221.304 0.889 20 30 BCEDRO N#CCC(=O)N[C@H]1CCC[N@@H+]2CCSC[C@@H]12 ZINC000720511297 712847903 /nfs/dbraw/zinc/84/79/03/712847903.db2.gz MTYFGMSKHFOTNB-UWVGGRQHSA-N 1 0 239.344 0.596 20 30 BCEDRO N#CCC(=O)N[C@@H]1CCC[N@@H+]2CCSC[C@H]12 ZINC000720511296 712847932 /nfs/dbraw/zinc/84/79/32/712847932.db2.gz MTYFGMSKHFOTNB-NXEZZACHSA-N 1 0 239.344 0.596 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000720742593 712863353 /nfs/dbraw/zinc/86/33/53/712863353.db2.gz SIVSFEYXXXCTCC-UWVGGRQHSA-N 1 0 225.336 0.346 20 30 BCEDRO C=CCNC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000720882147 712873638 /nfs/dbraw/zinc/87/36/38/712873638.db2.gz WLJQTIZZCRHDEO-RNFRBKRXSA-N 1 0 237.225 0.703 20 30 BCEDRO C[C@H](C(=O)N[C@]1(C#N)CCSC1)[NH+](C)C ZINC000602085989 349433495 /nfs/dbraw/zinc/43/34/95/349433495.db2.gz LNNBUFOAGAXEDC-SCZZXKLOSA-N 1 0 227.333 0.452 20 30 BCEDRO C[C@@H](C#N)NC(=O)C[N@H+](C)CC(C)(C)C ZINC000602086845 349434339 /nfs/dbraw/zinc/43/43/39/349434339.db2.gz ZPNPDKFRORPRGI-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC000602097878 349439775 /nfs/dbraw/zinc/43/97/75/349439775.db2.gz QNIYUYIFTLAZNJ-SNVBAGLBSA-N 1 0 223.320 0.993 20 30 BCEDRO C[N@@H+]1CC[C@H](CC(=O)NCC(C)(C)C#N)C1 ZINC000602129598 349457450 /nfs/dbraw/zinc/45/74/50/349457450.db2.gz FVUPXLAQYKJGQA-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1cnn(CC)c1 ZINC000268809629 398141898 /nfs/dbraw/zinc/14/18/98/398141898.db2.gz LSHQNVSAZMLJNX-LLVKDONJSA-N 1 0 248.330 0.693 20 30 BCEDRO C[C@H](C(=O)N[C@@]1(C#N)CC1(C)C)[NH+](C)C ZINC000602153115 349462142 /nfs/dbraw/zinc/46/21/42/349462142.db2.gz KGVRVRQRBVUWSO-LDYMZIIASA-N 1 0 209.293 0.745 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N2CC(C#N)C2)C1 ZINC000602154642 349462950 /nfs/dbraw/zinc/46/29/50/349462950.db2.gz FQYRIYOPHHCADH-VIFPVBQESA-N 1 0 207.277 0.310 20 30 BCEDRO N#CC1CN(C(=O)C23CCC[NH+](CCC2)C3)C1 ZINC000602161931 349466234 /nfs/dbraw/zinc/46/62/34/349466234.db2.gz UUGKPECIWUKASA-UHFFFAOYSA-N 1 0 233.315 0.844 20 30 BCEDRO Cc1[nH]nc(NC(=O)C[C@@H]2CC[N@@H+](C)C2)c1C#N ZINC000602190023 349469578 /nfs/dbraw/zinc/46/95/78/349469578.db2.gz QKIAAPWAJNMXKZ-VIFPVBQESA-N 1 0 247.302 0.870 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@@H]2CCCNC2=O)n1 ZINC000602688702 398144494 /nfs/dbraw/zinc/14/44/94/398144494.db2.gz YCAFMRXVDGNKQW-JTQLQIEISA-N 1 0 244.298 0.569 20 30 BCEDRO CC#CCNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272653487 398148322 /nfs/dbraw/zinc/14/83/22/398148322.db2.gz FZXAUCLBLPMAJY-LLVKDONJSA-N 1 0 235.331 0.959 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H]1CC[NH2+]C1 ZINC000273070958 398148736 /nfs/dbraw/zinc/14/87/36/398148736.db2.gz VNOZPNVISIJGPC-NSHDSACASA-N 1 0 226.320 0.695 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277801614 398154009 /nfs/dbraw/zinc/15/40/09/398154009.db2.gz PKOXTUGFJVQHFG-STQMWFEESA-N 1 0 233.315 0.451 20 30 BCEDRO Cn1cc(C[NH2+][C@@H]2CCC(=O)NC2)cc1C#N ZINC000232315258 398170390 /nfs/dbraw/zinc/17/03/90/398170390.db2.gz BQIFFUCGXCDHNJ-SNVBAGLBSA-N 1 0 232.287 0.265 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(c2ncncc2C#N)C1 ZINC000306079086 343980544 /nfs/dbraw/zinc/98/05/44/343980544.db2.gz BSFCGHZXMLARQX-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000424206656 398176634 /nfs/dbraw/zinc/17/66/34/398176634.db2.gz HUKCBTOIUOORSG-NAKRPEOUSA-N 1 0 226.320 0.677 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@H]1CC[NH2+]C1 ZINC000424207176 398176694 /nfs/dbraw/zinc/17/66/94/398176694.db2.gz IPHVOZTXLMLZRI-WOPDTQHZSA-N 1 0 238.331 0.693 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@]2(C)CC[NH2+]C2)nn1 ZINC000424207622 398177624 /nfs/dbraw/zinc/17/76/24/398177624.db2.gz JALYLUFQHPHBQM-GFCCVEGCSA-N 1 0 249.318 0.080 20 30 BCEDRO C=CCCOCC(=O)NCCC[NH2+]C ZINC000379996873 398179793 /nfs/dbraw/zinc/17/97/93/398179793.db2.gz JYDAJLUHXFGDBD-UHFFFAOYSA-N 1 0 200.282 0.305 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@](C)(O)c1cccs1 ZINC000178589927 136217415 /nfs/dbraw/zinc/21/74/15/136217415.db2.gz VOVDSPIGOVUHGD-SNVBAGLBSA-N 1 0 227.333 0.832 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CNCC[C@@H]1C ZINC000423020274 398162238 /nfs/dbraw/zinc/16/22/38/398162238.db2.gz ZRBBVJYMBUNPDK-SDDRHHMPSA-N 1 0 212.337 0.759 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCOC2(C)C)C1=O ZINC000451241070 398198739 /nfs/dbraw/zinc/19/87/39/398198739.db2.gz JRLSKJNYPKFTER-WDEREUQCSA-N 1 0 238.331 0.930 20 30 BCEDRO N#C[C@H]1CCC[C@@H]1[NH2+]CCN1CCCC1=O ZINC000309492955 136218905 /nfs/dbraw/zinc/21/89/05/136218905.db2.gz JHCOUXMMAPBWDO-MNOVXSKESA-N 1 0 221.304 0.891 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]CCN1CCCC1=O ZINC000309492958 136218928 /nfs/dbraw/zinc/21/89/28/136218928.db2.gz JHCOUXMMAPBWDO-QWRGUYRKSA-N 1 0 221.304 0.891 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)CCOCCCOC ZINC000649407891 398207897 /nfs/dbraw/zinc/20/78/97/398207897.db2.gz IRINGOLVTYTZFY-GFCCVEGCSA-N 1 0 231.336 0.908 20 30 BCEDRO C#CCCN1CCC[C@@H]1C[N@H+]1CCC[C@H]1CO ZINC000364849648 136221522 /nfs/dbraw/zinc/22/15/22/136221522.db2.gz NAHQHBRPJRPSGN-KGLIPLIRSA-N 1 0 236.359 0.931 20 30 BCEDRO C=C(C)C[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000336756595 136220563 /nfs/dbraw/zinc/22/05/63/136220563.db2.gz ITCQZKWXAGJTQF-NSHDSACASA-N 1 0 213.277 0.874 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CCC[C@H]1F ZINC000515414825 398211304 /nfs/dbraw/zinc/21/13/04/398211304.db2.gz JNSIPYMBUATEAG-UTUOFQBUSA-N 1 0 243.326 0.673 20 30 BCEDRO N#Cc1cccn(CC[C@@H]2CC[NH2+]C2)c1=O ZINC000335658145 398221821 /nfs/dbraw/zinc/22/18/21/398221821.db2.gz WNFWOCJFJHTJKN-JTQLQIEISA-N 1 0 217.272 0.720 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[NH+]1CC(C)C1 ZINC000576409379 365589149 /nfs/dbraw/zinc/58/91/49/365589149.db2.gz RIQBAKCDQAQBKL-SNVBAGLBSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@@H]1CC[C@H](C[NH3+])O1 ZINC000122474328 136222198 /nfs/dbraw/zinc/22/21/98/136222198.db2.gz GSIXILGHLWFJMJ-BBBLOLIVSA-N 1 0 212.293 0.574 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418363294 192028469 /nfs/dbraw/zinc/02/84/69/192028469.db2.gz ICMLPZHTKXKQES-WDEREUQCSA-N 1 0 241.335 0.222 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NCC1CCC1 ZINC000650029538 398223359 /nfs/dbraw/zinc/22/33/59/398223359.db2.gz YRNDNEHPVQXBFH-NEPJUHHUSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@H]([NH3+])C(C)C ZINC000418378030 192030083 /nfs/dbraw/zinc/03/00/83/192030083.db2.gz CBPSLFQZRHRZBS-QWRGUYRKSA-N 1 0 243.351 0.454 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418382573 192030596 /nfs/dbraw/zinc/03/05/96/192030596.db2.gz MJFYLRABQRWBFH-WDEREUQCSA-N 1 0 241.335 0.365 20 30 BCEDRO C=CC[C@@H](C)NC(=O)N[C@H](C[NH3+])C1CC1 ZINC000418393636 192032284 /nfs/dbraw/zinc/03/22/84/192032284.db2.gz FMRNTMLGSHLXMD-PSASIEDQSA-N 1 0 211.309 0.988 20 30 BCEDRO CC(C)[C@@H]1CC(N=NC(N)=[NH2+])CS1 ZINC000382096944 361754592 /nfs/dbraw/zinc/75/45/92/361754592.db2.gz FBYUSBAHBUIVMJ-ZETCQYMHSA-N 1 0 200.311 0.987 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CCC[C@H]1C ZINC000076115114 398232173 /nfs/dbraw/zinc/23/21/73/398232173.db2.gz NVNDKRJUDJIVQA-ZJUUUORDSA-N 1 0 239.319 0.871 20 30 BCEDRO C[NH2+][C@@H]1CCN(C(=O)C2(C#N)CC3(CC3)C2)C1 ZINC000602421051 349528559 /nfs/dbraw/zinc/52/85/59/349528559.db2.gz IPNLATSHGKSDSE-SNVBAGLBSA-N 1 0 233.315 0.891 20 30 BCEDRO C[NH2+][C@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000602423378 349531319 /nfs/dbraw/zinc/53/13/19/349531319.db2.gz YJSCFUQDZOBMCO-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)N[C@H](C[NH3+])CC(C)C ZINC000418422401 192036868 /nfs/dbraw/zinc/03/68/68/192036868.db2.gz AYOPUQIRFZCBPF-QWRGUYRKSA-N 1 0 243.351 0.596 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCC([NH3+])(CC)CC ZINC000418425927 192037067 /nfs/dbraw/zinc/03/70/67/192037067.db2.gz KXCFLVSWTXNORP-JTQLQIEISA-N 1 0 243.351 0.740 20 30 BCEDRO C[C@H](CCC#N)C[NH+]1CCN(CCO)CC1 ZINC000602426191 349533418 /nfs/dbraw/zinc/53/34/18/349533418.db2.gz YYYPUEQDSSTYSZ-GFCCVEGCSA-N 1 0 225.336 0.536 20 30 BCEDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCCSCC#N ZINC000193635084 136228909 /nfs/dbraw/zinc/22/89/09/136228909.db2.gz WAGPEFLYOAGMAB-UWVGGRQHSA-N 1 0 241.360 0.747 20 30 BCEDRO COC[C@@H](O)C[NH2+]CC#Cc1cccc(F)c1 ZINC000576578171 365628813 /nfs/dbraw/zinc/62/88/13/365628813.db2.gz FRJHXUFSHQBZSP-ZDUSSCGKSA-N 1 0 237.274 0.774 20 30 BCEDRO CN(C(=O)C1(C#N)CC2(CC2)C1)[C@H]1CC[NH2+]C1 ZINC000602429708 349533677 /nfs/dbraw/zinc/53/36/77/349533677.db2.gz SNDCIPCIYVUAIC-JTQLQIEISA-N 1 0 233.315 0.891 20 30 BCEDRO CC[C@@](C)(C[NH+]1CCN(CC#N)CC1)OC ZINC000602454696 349553351 /nfs/dbraw/zinc/55/33/51/349553351.db2.gz OHXILQSMLTZHHJ-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C=C[C@H](C)NC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000381545928 398263289 /nfs/dbraw/zinc/26/32/89/398263289.db2.gz KGVKYOYKIJFAFS-VHSXEESVSA-N 1 0 212.293 0.446 20 30 BCEDRO COCC[N@H+](CCO)C[C@@H](C)CCC#N ZINC000602459377 349555341 /nfs/dbraw/zinc/55/53/41/349555341.db2.gz UIZASVAOABKSTL-NSHDSACASA-N 1 0 214.309 0.867 20 30 BCEDRO C[C@@H](O)CN1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602462622 349556799 /nfs/dbraw/zinc/55/67/99/349556799.db2.gz NPWQLYRYVRHRDC-CHWSQXEVSA-N 1 0 239.363 0.925 20 30 BCEDRO CNC(=O)N1CC[NH+](C[C@H](C)CCC#N)CC1 ZINC000602478408 349564575 /nfs/dbraw/zinc/56/45/75/349564575.db2.gz YEWLKUVGQBGWFG-LLVKDONJSA-N 1 0 238.335 0.883 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000381604142 398266241 /nfs/dbraw/zinc/26/62/41/398266241.db2.gz PGOSXMWQCFKNRX-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO N#CC1(C(=O)NCC2=CC[NH2+]CC2)CCC1 ZINC000602484691 349567190 /nfs/dbraw/zinc/56/71/90/349567190.db2.gz LTXGFMUUKYVHIT-UHFFFAOYSA-N 1 0 219.288 0.716 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)C1(C#N)CC2(CC2)C1 ZINC000602483922 349567292 /nfs/dbraw/zinc/56/72/92/349567292.db2.gz KEQRXWIMXHROHN-MRVPVSSYSA-N 1 0 207.277 0.534 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H](C[NH3+])CCCC ZINC000418477549 192040001 /nfs/dbraw/zinc/04/00/01/192040001.db2.gz YAPUIYCMILPWFW-GHMZBOCLSA-N 1 0 243.351 0.740 20 30 BCEDRO N#CC1(C(=O)NCC2([NH3+])CCC2)CCC1 ZINC000602487124 349568952 /nfs/dbraw/zinc/56/89/52/349568952.db2.gz UVDNVVNFCCJFKK-UHFFFAOYSA-N 1 0 207.277 0.678 20 30 BCEDRO N#CC1(C(=O)N2CC[C@]3(CC[NH2+]C3)C2)CCC1 ZINC000602488085 349569110 /nfs/dbraw/zinc/56/91/10/349569110.db2.gz ZQDIZKXVPGOACN-LBPRGKRZSA-N 1 0 233.315 0.892 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@]3(CC[NH2+]C3)C2)CCC1 ZINC000602488084 349569356 /nfs/dbraw/zinc/56/93/56/349569356.db2.gz ZQDIZKXVPGOACN-GFCCVEGCSA-N 1 0 233.315 0.892 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2CCC[NH2+]CC2)CCC1 ZINC000602488266 349570125 /nfs/dbraw/zinc/57/01/25/349570125.db2.gz SICMDUIDFVZKBP-SNVBAGLBSA-N 1 0 221.304 0.939 20 30 BCEDRO C[C@@H]([NH3+])[C@@H](C)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000602496213 349558964 /nfs/dbraw/zinc/55/89/64/349558964.db2.gz PWVVVHUMCPPSTL-RKDXNWHRSA-N 1 0 221.304 0.922 20 30 BCEDRO C[C@@H](NC(=O)C1(C#N)CC2(CC2)C1)[C@H](C)[NH3+] ZINC000602496207 349559007 /nfs/dbraw/zinc/55/90/07/349559007.db2.gz PWVVVHUMCPPSTL-DTWKUNHWSA-N 1 0 221.304 0.922 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000296656165 398267651 /nfs/dbraw/zinc/26/76/51/398267651.db2.gz JMFLZTNMOHUUET-LLVKDONJSA-N 1 0 242.319 0.962 20 30 BCEDRO CN1C[C@H]([NH2+]C2CCC(C#N)CC2)CC1=O ZINC000602531046 349580059 /nfs/dbraw/zinc/58/00/59/349580059.db2.gz ZCXBERXYKNLKIA-VQXHTEKXSA-N 1 0 221.304 0.889 20 30 BCEDRO CN1CCO[C@@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602543465 349588054 /nfs/dbraw/zinc/58/80/54/349588054.db2.gz JWNSJKGADXCRMY-BPCQOVAHSA-N 1 0 237.347 0.989 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1CN(C)CCN1C ZINC000602545120 349588606 /nfs/dbraw/zinc/58/86/06/349588606.db2.gz MVBJOXYWXDWJKK-OLZOCXBDSA-N 1 0 238.379 0.762 20 30 BCEDRO C[NH2+]CCOCCN(C)C(=O)CCCCC#N ZINC000602544584 349588784 /nfs/dbraw/zinc/58/87/84/349588784.db2.gz HNCNKOYECRJXOL-UHFFFAOYSA-N 1 0 241.335 0.765 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C2=CC[C@@H]([NH3+])C2)C1 ZINC000602536270 349603872 /nfs/dbraw/zinc/60/38/72/349603872.db2.gz SQOSSAUBHQREKH-PWSUYJOCSA-N 1 0 219.288 0.796 20 30 BCEDRO CCC(C#N)(CC)C(=O)N(C)CCOCC[NH3+] ZINC000602550614 349591932 /nfs/dbraw/zinc/59/19/32/349591932.db2.gz KTXIMDMDNUNYBK-UHFFFAOYSA-N 1 0 241.335 0.750 20 30 BCEDRO CN(CCOCC[NH3+])C(=O)CCCCC#N ZINC000602552396 349594444 /nfs/dbraw/zinc/59/44/44/349594444.db2.gz VNGAJVJBSMFZDT-UHFFFAOYSA-N 1 0 227.308 0.504 20 30 BCEDRO COC[C@](C)(CO)[NH2+]C[C@H](C)CCC#N ZINC000602587035 349612605 /nfs/dbraw/zinc/61/26/05/349612605.db2.gz GJBFHBRJPGAXNF-MNOVXSKESA-N 1 0 214.309 0.913 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+]Cc2cnn[nH]2)C1 ZINC000600177037 342696446 /nfs/dbraw/zinc/69/64/46/342696446.db2.gz LSZYVNGHKUPCLK-IUCAKERBSA-N 1 0 205.265 0.977 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000616347582 342718857 /nfs/dbraw/zinc/71/88/57/342718857.db2.gz GLFYVUKGWUEQSH-NSHDSACASA-N 1 0 240.347 0.866 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH+](CCO)CCO)C1 ZINC000600179064 342696914 /nfs/dbraw/zinc/69/69/14/342696914.db2.gz HCBMOTIPRZIJFD-QWRGUYRKSA-N 1 0 212.293 0.355 20 30 BCEDRO COC[C@](C)(CO)[NH2+]C[C@@H](C)CCC#N ZINC000602587036 349612803 /nfs/dbraw/zinc/61/28/03/349612803.db2.gz GJBFHBRJPGAXNF-QWRGUYRKSA-N 1 0 214.309 0.913 20 30 BCEDRO N#CCCCCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000602590882 349613947 /nfs/dbraw/zinc/61/39/47/349613947.db2.gz KGXYDOJKLZVQQS-UWVGGRQHSA-N 1 0 207.277 0.643 20 30 BCEDRO CC(C)OC[C@H]([NH3+])C(=O)N(C)[C@@H](C)CC#N ZINC000602589973 349614183 /nfs/dbraw/zinc/61/41/83/349614183.db2.gz AJVORHGNBFTTAL-UWVGGRQHSA-N 1 0 227.308 0.499 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)CC1(C[NH3+])CC1 ZINC000602590204 349614287 /nfs/dbraw/zinc/61/42/87/349614287.db2.gz CKYWGWXIOMHSDT-SECBINFHSA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]1C[C@]12CC[NH2+]C2 ZINC000602592022 349615029 /nfs/dbraw/zinc/61/50/29/349615029.db2.gz GNKHOIGMCPVAOO-SCVCMEIPSA-N 1 0 221.304 0.747 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000583331817 342735299 /nfs/dbraw/zinc/73/52/99/342735299.db2.gz OUTZKZDZMGGNBT-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000321417407 342759165 /nfs/dbraw/zinc/75/91/65/342759165.db2.gz KBOXGROWFLYSCU-GHMZBOCLSA-N 1 0 217.309 0.299 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000321417413 342759213 /nfs/dbraw/zinc/75/92/13/342759213.db2.gz KBOXGROWFLYSCU-WDEREUQCSA-N 1 0 217.309 0.299 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418503061 192044153 /nfs/dbraw/zinc/04/41/53/192044153.db2.gz WRLUCIBGRZUNNW-ONGXEEELSA-N 1 0 241.335 0.208 20 30 BCEDRO C=C(C)CN(C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000418500707 192044362 /nfs/dbraw/zinc/04/43/62/192044362.db2.gz QBSZNMPMFYZRAK-JTQLQIEISA-N 1 0 211.309 0.941 20 30 BCEDRO C[C@H]([NH3+])C(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602575455 349623713 /nfs/dbraw/zinc/62/37/13/349623713.db2.gz HNXIKLXHXKLRNG-JTQLQIEISA-N 1 0 243.310 0.985 20 30 BCEDRO Cn1cc(C[NH2+]C2CCC(C#N)CC2)nn1 ZINC000602601927 349624639 /nfs/dbraw/zinc/62/46/39/349624639.db2.gz LSLHSUANZNPEDF-UHFFFAOYSA-N 1 0 219.292 0.987 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000602594200 349622937 /nfs/dbraw/zinc/62/29/37/349622937.db2.gz UMBKNHVEVNZEQQ-WDEREUQCSA-N 1 0 239.319 0.516 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N[C@H](C#N)C2CC2)C1 ZINC000336470457 342806650 /nfs/dbraw/zinc/80/66/50/342806650.db2.gz AZUWBVQTBAGLBJ-VHSXEESVSA-N 1 0 207.277 0.356 20 30 BCEDRO COCC[NH2+]CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000602603519 349626181 /nfs/dbraw/zinc/62/61/81/349626181.db2.gz UAWDRKCSJUPOFT-QWRGUYRKSA-N 1 0 239.319 0.373 20 30 BCEDRO CN(C)C(=O)CCC[NH2+]C[C@H](C#N)CCC#N ZINC000583989704 342830158 /nfs/dbraw/zinc/83/01/58/342830158.db2.gz NJBIOIAVMVKLTD-NSHDSACASA-N 1 0 236.319 0.888 20 30 BCEDRO CN(C)C(=[NH2+])NC1CN(C(=O)OC(C)(C)C)C1 ZINC000177290018 229496559 /nfs/dbraw/zinc/49/65/59/229496559.db2.gz CQXWGAHAPDRHJW-UHFFFAOYSA-N 1 0 242.323 0.482 20 30 BCEDRO CN(C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21)[C@H]1CCC[C@H]1C#N ZINC000602604612 349627348 /nfs/dbraw/zinc/62/73/48/349627348.db2.gz YZNMITVTBBLGIT-HHHUOAJASA-N 1 0 233.315 0.602 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CCNC(=O)c1ccn[nH]1 ZINC000602604635 349627471 /nfs/dbraw/zinc/62/74/71/349627471.db2.gz GTQWDFWEKJJRDC-JTQLQIEISA-N 1 0 249.318 0.669 20 30 BCEDRO N#Cc1ccc2ncc(C[NH2+]CCCO)n2c1 ZINC000304260269 398295188 /nfs/dbraw/zinc/29/51/88/398295188.db2.gz SXEQYRQKJFNCDL-UHFFFAOYSA-N 1 0 230.271 0.678 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417882147 398295208 /nfs/dbraw/zinc/29/52/08/398295208.db2.gz FUBDPYPARXQRLB-JTQLQIEISA-N 1 0 229.324 0.616 20 30 BCEDRO CC#CCNC(=O)NCC1(C)CC[NH2+]CC1 ZINC000418524651 192047902 /nfs/dbraw/zinc/04/79/02/192047902.db2.gz WZYNDADDLBIKQF-UHFFFAOYSA-N 1 0 223.320 0.699 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CCN(C)C[C@H]1C ZINC000335860803 398300795 /nfs/dbraw/zinc/30/07/95/398300795.db2.gz DZEGXNXAODFRKV-PWSUYJOCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@@H]([NH3+])CC ZINC000417892891 398302210 /nfs/dbraw/zinc/30/22/10/398302210.db2.gz RDYZZGSHEJHLBM-JTQLQIEISA-N 1 0 229.324 0.616 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418551780 192049515 /nfs/dbraw/zinc/04/95/15/192049515.db2.gz ULKIWFCTOWADGP-JQWIXIFHSA-N 1 0 241.335 0.222 20 30 BCEDRO C[C@@H]1CCC[N@H+](CCNc2ncncc2C#N)C1 ZINC000516601481 398302838 /nfs/dbraw/zinc/30/28/38/398302838.db2.gz CXNYLZRXXIJVQS-LLVKDONJSA-N 1 0 245.330 0.914 20 30 BCEDRO CCN(CC(N)=O)Cc1ccc(C#N)c(OC)c1 ZINC000233433925 342862552 /nfs/dbraw/zinc/86/25/52/342862552.db2.gz STXMSSAUGWTBMS-UHFFFAOYSA-N 1 0 247.298 0.874 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]([NH3+])C[C@H]1C ZINC000381366115 488185439 /nfs/dbraw/zinc/18/54/39/488185439.db2.gz GHGPTFAEZMLGCT-NXEZZACHSA-N 1 0 232.349 0.704 20 30 BCEDRO Cc1ccc(C#N)c(NC[C@]2(O)CC[N@@H+](C)C2)n1 ZINC000342827956 342866046 /nfs/dbraw/zinc/86/60/46/342866046.db2.gz CGIAHKRWHHUGSQ-CYBMUJFWSA-N 1 0 246.314 0.740 20 30 BCEDRO N#CCCN1CCN(C(=O)CCCC[NH3+])CC1 ZINC000134825985 342895527 /nfs/dbraw/zinc/89/55/27/342895527.db2.gz RKWNCWLOLMQHBH-UHFFFAOYSA-N 1 0 238.335 0.173 20 30 BCEDRO Cc1cc(N[C@@H]2CCC[NH2+]C2)c(C#N)cn1 ZINC000333634759 398317536 /nfs/dbraw/zinc/31/75/36/398317536.db2.gz WHLJYAZZLBRPKN-LLVKDONJSA-N 1 0 216.288 0.848 20 30 BCEDRO Cc1cc(N[C@H]2CCC[NH2+]C2)c(C#N)cn1 ZINC000333634764 398317560 /nfs/dbraw/zinc/31/75/60/398317560.db2.gz WHLJYAZZLBRPKN-NSHDSACASA-N 1 0 216.288 0.848 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C(=O)OC)no1 ZINC000602610753 349634914 /nfs/dbraw/zinc/63/49/14/349634914.db2.gz ABUHPQSDVYSWEA-QMMMGPOBSA-N 1 0 240.259 0.488 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC(C)(C#N)C1 ZINC000336085385 398315100 /nfs/dbraw/zinc/31/51/00/398315100.db2.gz QHXJNYXVKKSQAY-SECBINFHSA-N 1 0 207.277 0.453 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)c2cnc[nH]2)CC1 ZINC000608783195 342911773 /nfs/dbraw/zinc/91/17/73/342911773.db2.gz XZCTWDLUTWUCCN-UHFFFAOYSA-N 1 0 233.275 0.127 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCOCCOC ZINC000104157834 398323780 /nfs/dbraw/zinc/32/37/80/398323780.db2.gz ZZQQJZQRAZJTKL-UHFFFAOYSA-N 1 0 229.324 0.520 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@]1(O)CCN(C)C1 ZINC000602612257 349636283 /nfs/dbraw/zinc/63/62/83/349636283.db2.gz ORBFNLMSSNVRLH-NWDGAFQWSA-N 1 0 225.336 0.582 20 30 BCEDRO N#CC1CCC([NH2+]C2(C(N)=O)CC2)CC1 ZINC000602615689 349637784 /nfs/dbraw/zinc/63/77/84/349637784.db2.gz RRJSCGKDTHABBT-UHFFFAOYSA-N 1 0 207.277 0.676 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CCC(CO)(OC)CC1 ZINC000401722610 342919151 /nfs/dbraw/zinc/91/91/51/342919151.db2.gz BUSCWLGINIWYPN-JTQLQIEISA-N 1 0 243.303 0.187 20 30 BCEDRO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@@H]1CCC[C@H]1C#N ZINC000602600963 349647532 /nfs/dbraw/zinc/64/75/32/349647532.db2.gz IFOQQAHRVLJWFN-UKKRHICBSA-N 1 0 221.304 0.874 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@@H](C)[NH2+]CC ZINC000418586918 192053539 /nfs/dbraw/zinc/05/35/39/192053539.db2.gz AYZJRFROIOGREO-LLVKDONJSA-N 1 0 243.351 0.828 20 30 BCEDRO CN(C(=O)[C@H]1CC[NH2+]1)[C@@H]1CCC[C@H]1C#N ZINC000602599944 349645893 /nfs/dbraw/zinc/64/58/93/349645893.db2.gz DBFXWDLFBKXJEC-IVZWLZJFSA-N 1 0 207.277 0.499 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]Cc1cn(C)nn1 ZINC000602600803 349646364 /nfs/dbraw/zinc/64/63/64/349646364.db2.gz HQLUCVWJLWJHAN-SECBINFHSA-N 1 0 207.281 0.845 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)CC[C@H](C)[NH3+])C(=O)OC ZINC000602600889 349646856 /nfs/dbraw/zinc/64/68/56/349646856.db2.gz PURPJLUXEFDACS-VHSXEESVSA-N 1 0 242.319 0.738 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@@H](C)[NH2+]CC ZINC000418606916 192055929 /nfs/dbraw/zinc/05/59/29/192055929.db2.gz WJAMJGIQPHRMKD-GHMZBOCLSA-N 1 0 243.351 0.611 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCN(CCO)C[C@H]1C ZINC000602686122 349677925 /nfs/dbraw/zinc/67/79/25/349677925.db2.gz OWXWLWWODZTVBE-QWHCGFSZSA-N 1 0 239.363 0.925 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@H+](C)[C@@H](C)CO ZINC000158876766 398341472 /nfs/dbraw/zinc/34/14/72/398341472.db2.gz ZFBOACIEPCUGEP-NSHDSACASA-N 1 0 228.336 0.724 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)c1cccc(C#N)c1 ZINC000082577974 398341925 /nfs/dbraw/zinc/34/19/25/398341925.db2.gz OOVLLSGIAZEEGV-MRVPVSSYSA-N 1 0 203.245 0.635 20 30 BCEDRO CO[C@H]1COC[C@@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000289850847 398342494 /nfs/dbraw/zinc/34/24/94/398342494.db2.gz PPFOLNMZGMINGP-RYUDHWBXSA-N 1 0 235.287 0.400 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@@H](C)[NH2+]CC ZINC000418606919 192055866 /nfs/dbraw/zinc/05/58/66/192055866.db2.gz WJAMJGIQPHRMKD-MNOVXSKESA-N 1 0 243.351 0.611 20 30 BCEDRO CO[C@H](CNC(=O)[C@@H]1CN(C)CCO1)C1CC1 ZINC000329712235 136253549 /nfs/dbraw/zinc/25/35/49/136253549.db2.gz PTVSQENMKRCCHJ-MNOVXSKESA-N 1 0 242.319 0.699 20 30 BCEDRO C[C@@H](Cn1cncn1)[NH2+]CC1(C#N)CCC1 ZINC000602696101 349692253 /nfs/dbraw/zinc/69/22/53/349692253.db2.gz CXWAMJIEWWKDBB-JTQLQIEISA-N 1 0 219.292 0.950 20 30 BCEDRO CNC(=O)[C@H]1CC[N@H+](C[C@H](C)CCC#N)C1 ZINC000602698277 349694337 /nfs/dbraw/zinc/69/43/37/349694337.db2.gz NCNRRAFNASCTPS-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@@H](CCC#N)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000602704610 349698392 /nfs/dbraw/zinc/69/83/92/349698392.db2.gz IAZKRKPYIAKCDR-RWMBFGLXSA-N 1 0 237.347 0.677 20 30 BCEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602709194 349702612 /nfs/dbraw/zinc/70/26/12/349702612.db2.gz HHWYKYVREFZWHR-GARJFASQSA-N 1 0 240.303 0.846 20 30 BCEDRO C[C@@H](CCC#N)C[NH+]1CC(C)(C(N)=O)C1 ZINC000602703348 349698208 /nfs/dbraw/zinc/69/82/08/349698208.db2.gz ZFYVSUDSNKNYGN-VIFPVBQESA-N 1 0 209.293 0.733 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CCC[C@H]([NH+](C)C)C1 ZINC000175590564 166180086 /nfs/dbraw/zinc/18/00/86/166180086.db2.gz CUJYSAJDDIYUHN-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+]C1CCC(C#N)CC1 ZINC000602726359 349715912 /nfs/dbraw/zinc/71/59/12/349715912.db2.gz PZMRCRQJEDRKPE-BPCQOVAHSA-N 1 0 237.347 0.989 20 30 BCEDRO C[C@@H](CCC#N)[N@H+](C)[C@@H]1CCN(C)C1=O ZINC000518193169 259338656 /nfs/dbraw/zinc/33/86/56/259338656.db2.gz VXLBZTMKDUJGPX-VHSXEESVSA-N 1 0 209.293 0.841 20 30 BCEDRO CN(C)C(=O)NCC[N@H+](C)CC1(CC#N)CC1 ZINC000602795220 349737141 /nfs/dbraw/zinc/73/71/41/349737141.db2.gz AHPIOCOEXZJMHX-UHFFFAOYSA-N 1 0 238.335 0.883 20 30 BCEDRO CC(=O)NCC[N@@H+](C)CCC(C)(C)C#N ZINC000308186335 259339029 /nfs/dbraw/zinc/33/90/29/259339029.db2.gz KAOFMBLUUUFRTL-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C[C@H]1CC(=O)NCC[N@@H+]1CC1(CC#N)CC1 ZINC000602801591 349741793 /nfs/dbraw/zinc/74/17/93/349741793.db2.gz WZGSAIHAHDRHPV-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCCCC[NH+]1CCN(C(=O)CO)CC1 ZINC000562696806 323028169 /nfs/dbraw/zinc/02/81/69/323028169.db2.gz HVQQNFPKMNZZAU-UHFFFAOYSA-N 1 0 226.320 0.479 20 30 BCEDRO C[C@@H](CC#N)N(C)C[C@H]1CCc2ncnn21 ZINC000602789818 349752319 /nfs/dbraw/zinc/75/23/19/349752319.db2.gz ZQHJUMBMDRUZTH-VHSXEESVSA-N 1 0 219.292 0.999 20 30 BCEDRO C[C@H](CC#N)N(C)C[C@H]1CCc2ncnn21 ZINC000602789816 349752643 /nfs/dbraw/zinc/75/26/43/349752643.db2.gz ZQHJUMBMDRUZTH-NXEZZACHSA-N 1 0 219.292 0.999 20 30 BCEDRO N#CCC1(C[N@H+]2CC[C@@H](CO)[C@H](O)C2)CC1 ZINC000602814778 349756715 /nfs/dbraw/zinc/75/67/15/349756715.db2.gz HPMNYLCCKVRHSL-WDEREUQCSA-N 1 0 224.304 0.355 20 30 BCEDRO C[C@H](CC#N)N[C@@H](C)C(=O)NC[C@@H]1CCCO1 ZINC000602861304 349772689 /nfs/dbraw/zinc/77/26/89/349772689.db2.gz GAMXLDVUWJEFQT-VWYCJHECSA-N 1 0 239.319 0.562 20 30 BCEDRO C[C@@H]1CN(Cc2cncn2C)C[C@@H](C)N1CC#N ZINC000602861842 349773733 /nfs/dbraw/zinc/77/37/33/349773733.db2.gz MCPWXKXADOXFKG-VXGBXAGGSA-N 1 0 247.346 0.838 20 30 BCEDRO COCC1(C#N)CC[NH+](C[C@H](C)O)CC1 ZINC000339175947 536800869 /nfs/dbraw/zinc/80/08/69/536800869.db2.gz YTSHNWMGZVVWQP-JTQLQIEISA-N 1 0 212.293 0.619 20 30 BCEDRO C=CCN(C)C(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418629030 192058356 /nfs/dbraw/zinc/05/83/56/192058356.db2.gz BMPNUVHUOZQXTC-LBPRGKRZSA-N 1 0 241.335 0.582 20 30 BCEDRO C[C@H]1C[NH+](CCc2c[nH]nn2)C[C@H](C)N1CC#N ZINC000602850812 349785931 /nfs/dbraw/zinc/78/59/31/349785931.db2.gz SLGGGYZVNNAICA-QWRGUYRKSA-N 1 0 248.334 0.265 20 30 BCEDRO C=CCN(C(=O)C1(OC)CC[NH2+]CC1)C1CC1 ZINC000310136236 259344547 /nfs/dbraw/zinc/34/45/47/259344547.db2.gz BOHZJZWCLAFZAS-UHFFFAOYSA-N 1 0 238.331 0.932 20 30 BCEDRO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000602853311 349787296 /nfs/dbraw/zinc/78/72/96/349787296.db2.gz XFQKVFFNGABNRU-QJPTWQEYSA-N 1 0 224.304 0.762 20 30 BCEDRO C=CCOCC(=O)NCC[N@@H+]1CCCOCC1 ZINC000353689809 136265702 /nfs/dbraw/zinc/26/57/02/136265702.db2.gz QZSHDSXRTTVIAU-UHFFFAOYSA-N 1 0 242.319 0.028 20 30 BCEDRO C=CCNC(=O)[C@H](C)n1cc([C@H](C)[NH2+]C)nn1 ZINC000640883318 362068802 /nfs/dbraw/zinc/06/88/02/362068802.db2.gz FXXAIJILYKEGSY-IUCAKERBSA-N 1 0 237.307 0.422 20 30 BCEDRO C=CCNC(=O)[C@H](C)n1cc([C@H]([NH3+])CC)nn1 ZINC000640884077 362069123 /nfs/dbraw/zinc/06/91/23/362069123.db2.gz UUIYSCBUYFSFSR-DTWKUNHWSA-N 1 0 237.307 0.551 20 30 BCEDRO C=C(C)Cn1cc(CN2CC[NH2+]CC2)nn1 ZINC000640803648 362051507 /nfs/dbraw/zinc/05/15/07/362051507.db2.gz NEKNYDSTBOBCSZ-UHFFFAOYSA-N 1 0 221.308 0.259 20 30 BCEDRO C=C(C)Cn1cc(CC[NH2+]CCOC)nn1 ZINC000640803911 362053177 /nfs/dbraw/zinc/05/31/77/362053177.db2.gz RHDYBQJTSXOZQQ-UHFFFAOYSA-N 1 0 224.308 0.633 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000418689155 192060532 /nfs/dbraw/zinc/06/05/32/192060532.db2.gz BNUHGJWJUDKZBZ-UWVGGRQHSA-N 1 0 229.324 0.566 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000668095878 488202113 /nfs/dbraw/zinc/20/21/13/488202113.db2.gz SHLMSOMCXUSBNX-PSASIEDQSA-N 1 0 212.293 0.132 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000139798846 343119624 /nfs/dbraw/zinc/11/96/24/343119624.db2.gz ULSZELGBRKFNDD-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](CC)[C@@H]2CCOC2)C1=O ZINC000361595955 136268610 /nfs/dbraw/zinc/26/86/10/136268610.db2.gz PZWIPEHKOUGYSO-VXGBXAGGSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361594346 136268661 /nfs/dbraw/zinc/26/86/61/136268661.db2.gz JQIMPNXVLGVVBU-NWDGAFQWSA-N 1 0 248.330 0.821 20 30 BCEDRO C=CCCOCC(=O)NCCC[NH+](C)C ZINC000143108011 343117071 /nfs/dbraw/zinc/11/70/71/343117071.db2.gz KWZIWJHIWGAYHD-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C[C@@H](C#N)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000362717722 136268938 /nfs/dbraw/zinc/26/89/38/136268938.db2.gz SKPZNXKZPXOTRZ-VIFPVBQESA-N 1 0 221.304 0.889 20 30 BCEDRO CCOCC[C@H](O)C[NH2+][C@H](C)CC#N ZINC000602868424 349798867 /nfs/dbraw/zinc/79/88/67/349798867.db2.gz BGZKADFQWPEOPS-ZJUUUORDSA-N 1 0 200.282 0.666 20 30 BCEDRO C[C@H]1CC[N@H+](CCOCCC#N)C[C@H]1O ZINC000339063356 136271078 /nfs/dbraw/zinc/27/10/78/136271078.db2.gz VQQBSDJNODGFFM-WDEREUQCSA-N 1 0 212.293 0.619 20 30 BCEDRO N#CCCOCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000339082990 136271279 /nfs/dbraw/zinc/27/12/79/136271279.db2.gz HNVRGKZKXZLGES-SDDRHHMPSA-N 1 0 224.304 0.619 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCC(=O)N1CCOCC1 ZINC000124120154 343167216 /nfs/dbraw/zinc/16/72/16/343167216.db2.gz FRHDNYKZNIRUOL-NSHDSACASA-N 1 0 239.319 0.517 20 30 BCEDRO CC#CCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000125688081 343174047 /nfs/dbraw/zinc/17/40/47/343174047.db2.gz UCYDPEVOTUWAEK-NSHDSACASA-N 1 0 207.277 0.247 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cnc(C)nc1 ZINC000309247658 136274909 /nfs/dbraw/zinc/27/49/09/136274909.db2.gz ZNVBLQPEWMXQGC-LLVKDONJSA-N 1 0 207.277 0.812 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000163832967 343207164 /nfs/dbraw/zinc/20/71/64/343207164.db2.gz QNIKZUCIZLHRSR-LBPRGKRZSA-N 1 0 239.319 0.426 20 30 BCEDRO CC1(C)[C@H](NC(=[NH2+])Nc2ccccn2)C[C@@H]1O ZINC000186873264 136275561 /nfs/dbraw/zinc/27/55/61/136275561.db2.gz MKPUKIGOXUXUKO-BDAKNGLRSA-N 1 0 234.303 0.968 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@@H](O)COCC ZINC000168694630 343210310 /nfs/dbraw/zinc/21/03/10/343210310.db2.gz WZIHDFPKOTWJBN-LLVKDONJSA-N 1 0 217.309 0.566 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C ZINC000336764286 136275742 /nfs/dbraw/zinc/27/57/42/136275742.db2.gz QACQKQYECLTSPZ-MWLCHTKSSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000251719792 343215777 /nfs/dbraw/zinc/21/57/77/343215777.db2.gz JWICNYOVQNUSPR-NXEZZACHSA-N 1 0 240.303 0.030 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCC(=O)N[C@H]1C1CC1 ZINC000339167036 136280639 /nfs/dbraw/zinc/28/06/39/136280639.db2.gz GCUNKOMJSVXIKS-AAEUAGOBSA-N 1 0 238.331 0.836 20 30 BCEDRO CC#CCN(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000339755005 136280855 /nfs/dbraw/zinc/28/08/55/136280855.db2.gz CGZNWZYUOBXCRT-LBPRGKRZSA-N 1 0 210.321 0.397 20 30 BCEDRO C=CCOCCn1cc(C2CC[NH2+]CC2)nn1 ZINC000641030263 362143794 /nfs/dbraw/zinc/14/37/94/362143794.db2.gz WMZDOMWIADITDC-UHFFFAOYSA-N 1 0 236.319 0.948 20 30 BCEDRO COC[C@H](C)OC[C@H](O)C[NH2+][C@H](C)CC#N ZINC000602871461 349802829 /nfs/dbraw/zinc/80/28/29/349802829.db2.gz RUTOPWLHTLJXLF-OUAUKWLOSA-N 1 0 230.308 0.291 20 30 BCEDRO CNC(=[NH2+])NCCc1cccc(OC)c1 ZINC000161511869 136277349 /nfs/dbraw/zinc/27/73/49/136277349.db2.gz WCGUZALABSYKBQ-UHFFFAOYSA-N 1 0 207.277 0.772 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@@H]1CCCC[N@H+](C)C1 ZINC000600312355 343245843 /nfs/dbraw/zinc/24/58/43/343245843.db2.gz FRROSWBJTSCQFX-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO CCOC(=O)COCC[NH2+][C@H](C)CC#N ZINC000602871671 349803774 /nfs/dbraw/zinc/80/37/74/349803774.db2.gz UAAPONCEXOKLCF-SECBINFHSA-N 1 0 214.265 0.458 20 30 BCEDRO C[N@H+](CCOCCC#N)CCc1cnccn1 ZINC000293711934 136289676 /nfs/dbraw/zinc/28/96/76/136289676.db2.gz DUNRXMMIQCAJBN-UHFFFAOYSA-N 1 0 234.303 0.881 20 30 BCEDRO C#CCSCCNC(=O)NCC[N@@H+](C)CC ZINC000119776708 136292097 /nfs/dbraw/zinc/29/20/97/136292097.db2.gz GCMLEIVIEULGTG-UHFFFAOYSA-N 1 0 243.376 0.604 20 30 BCEDRO C[N@@H+]1CCCC[C@@H](CNC(=O)CC#N)C1 ZINC000600316258 343276644 /nfs/dbraw/zinc/27/66/44/343276644.db2.gz YNOJPNVLLRYMJB-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C[N@@H+]1CCCC[C@H](CNC(=O)CC#N)C1 ZINC000600316259 343276684 /nfs/dbraw/zinc/27/66/84/343276684.db2.gz YNOJPNVLLRYMJB-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO N#Cc1cc(F)ccc1NC(=O)NC1C[NH2+]C1 ZINC000335635808 136300737 /nfs/dbraw/zinc/30/07/37/136300737.db2.gz FFPWMFPGRDIWMP-UHFFFAOYSA-N 1 0 234.234 0.791 20 30 BCEDRO C[N@H+](CCC(N)=O)Cc1cc(C#N)cs1 ZINC000348837929 136301837 /nfs/dbraw/zinc/30/18/37/136301837.db2.gz LHDSQXHNZVHXQD-UHFFFAOYSA-N 1 0 223.301 0.927 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000348953125 136310658 /nfs/dbraw/zinc/31/06/58/136310658.db2.gz XNTCAIMERREDPT-LLVKDONJSA-N 1 0 243.351 0.517 20 30 BCEDRO C=CCN(CC=C)C(=O)CCOC1C[NH2+]C1 ZINC000348993169 136314292 /nfs/dbraw/zinc/31/42/92/136314292.db2.gz JIPWMJBDZRWJDF-UHFFFAOYSA-N 1 0 224.304 0.566 20 30 BCEDRO CCC[NH+]1CCN(c2ncncc2C#N)CC1 ZINC000310221391 343393036 /nfs/dbraw/zinc/39/30/36/343393036.db2.gz NDGPSHHHBNOVMC-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO N#C[C@H]1CN(C(=O)CCCn2ccnc2)CCO1 ZINC000609268026 343397055 /nfs/dbraw/zinc/39/70/55/343397055.db2.gz AFJJIENQEPJAIR-NSHDSACASA-N 1 0 248.286 0.414 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000619905458 343407650 /nfs/dbraw/zinc/40/76/50/343407650.db2.gz UJUVPMBQJUTYEL-CMPLNLGQSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc([C@@](C)([NH3+])CC)nn1 ZINC000641083271 362204114 /nfs/dbraw/zinc/20/41/14/362204114.db2.gz AEEBZBWZPXPHGY-KOLCDFICSA-N 1 0 224.308 0.972 20 30 BCEDRO C=C(C)[C@H](CO)n1cc(C2CC[NH2+]CC2)nn1 ZINC000641084360 362207207 /nfs/dbraw/zinc/20/72/07/362207207.db2.gz JAIYVIHDVGBBLV-LBPRGKRZSA-N 1 0 236.319 0.855 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000669555450 488216721 /nfs/dbraw/zinc/21/67/21/488216721.db2.gz ZGXWGVCHGWJTHF-IUCAKERBSA-N 1 0 215.297 0.224 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000616419678 343429760 /nfs/dbraw/zinc/42/97/60/343429760.db2.gz WCKZBINEIYXXRG-AXFHLTTASA-N 1 0 224.304 0.086 20 30 BCEDRO N#CCC1(CN2CCO[C@@H](CC(N)=O)C2)CC1 ZINC000602916070 349808749 /nfs/dbraw/zinc/80/87/49/349808749.db2.gz FLZGOZLYLNQDKJ-JTQLQIEISA-N 1 0 237.303 0.256 20 30 BCEDRO N#CC1(CN2CCSC[C@@H]2CO)CC1 ZINC000335712115 136337752 /nfs/dbraw/zinc/33/77/52/136337752.db2.gz DSZYWXRWQFCYTM-VIFPVBQESA-N 1 0 212.318 0.700 20 30 BCEDRO C=CCN1CC[C@@H](n2cc([C@H](C)[NH2+]C)nn2)C1=O ZINC000641108826 362226816 /nfs/dbraw/zinc/22/68/16/362226816.db2.gz MZVJIEYIZNBPPB-GXSJLCMTSA-N 1 0 249.318 0.518 20 30 BCEDRO C=CCN1CC[C@@H](n2cc([C@@H](C)[NH2+]C)nn2)C1=O ZINC000641108834 362226942 /nfs/dbraw/zinc/22/69/42/362226942.db2.gz MZVJIEYIZNBPPB-MWLCHTKSSA-N 1 0 249.318 0.518 20 30 BCEDRO Cn1nncc1CNC(=O)[C@H]1CCC[N@@H+]1C ZINC000329429186 136365555 /nfs/dbraw/zinc/36/55/55/136365555.db2.gz GVUMMDCQRWCIJH-SECBINFHSA-N 1 0 223.280 0.366 20 30 BCEDRO Cc1nn(C)c(C)c1CCNC1=[NH+]C[C@H](C)N1 ZINC000262672224 136374779 /nfs/dbraw/zinc/37/47/79/136374779.db2.gz ROTRZIRZOPZEET-QMMMGPOBSA-N 1 0 235.335 0.517 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)CC[NH+]1CCCC1 ZINC000668198608 488221541 /nfs/dbraw/zinc/22/15/41/488221541.db2.gz VTOCNPVIDPIMAI-GFCCVEGCSA-N 1 0 226.320 0.478 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000602898040 349814706 /nfs/dbraw/zinc/81/47/06/349814706.db2.gz KNUWNTWYNGDKOV-PWSUYJOCSA-N 1 0 226.320 0.744 20 30 BCEDRO COCCN(CCC#N)C[C@@H]1CCOC1 ZINC000070846056 343513202 /nfs/dbraw/zinc/51/32/02/343513202.db2.gz OYJYKDHFWHEEMF-NSHDSACASA-N 1 0 212.293 0.885 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000616696660 343541507 /nfs/dbraw/zinc/54/15/07/343541507.db2.gz FQHXYWXXVFZSIC-JFGNBEQYSA-N 1 0 226.320 0.380 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000616702252 343544751 /nfs/dbraw/zinc/54/47/51/343544751.db2.gz ZSYLODFVWPTMRF-NSHDSACASA-N 1 0 240.347 0.866 20 30 BCEDRO COCC[C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000570155332 323051140 /nfs/dbraw/zinc/05/11/40/323051140.db2.gz JWAVXVTWNVPACC-NWDGAFQWSA-N 1 0 243.351 0.207 20 30 BCEDRO N#Cc1ccncc1N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405426993 343577615 /nfs/dbraw/zinc/57/76/15/343577615.db2.gz ZQELDDFOPYWNIW-NWDGAFQWSA-N 1 0 244.298 0.208 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC1=CC[NH2+]CC1 ZINC000491308112 259364334 /nfs/dbraw/zinc/36/43/34/259364334.db2.gz SQVYEZQNUJXLCT-UHFFFAOYSA-N 1 0 245.326 0.574 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)Cn1cc(C#N)c(C)n1 ZINC000580570822 365776976 /nfs/dbraw/zinc/77/69/76/365776976.db2.gz MZYPMXIHKYSIMP-LLVKDONJSA-N 1 0 222.292 0.376 20 30 BCEDRO C=CCOCC(=O)N(C)CC1C[NH+](C)C1 ZINC000618194102 343604414 /nfs/dbraw/zinc/60/44/14/343604414.db2.gz QDAGAFMTMLALJN-UHFFFAOYSA-N 1 0 212.293 0.209 20 30 BCEDRO N#Cc1cc(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c[nH]1 ZINC000335866942 344035444 /nfs/dbraw/zinc/03/54/44/344035444.db2.gz LIICJSNJHVFXTK-JTQLQIEISA-N 1 0 244.298 0.853 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602936372 349824317 /nfs/dbraw/zinc/82/43/17/349824317.db2.gz PIHUUYZQGJNMOW-WQAKAFBOSA-N 1 0 249.314 0.663 20 30 BCEDRO C[C@@]12C[NH+](CC3(C#N)CC3)C[C@@]1(C)C(=O)NC2=O ZINC000602937858 349824406 /nfs/dbraw/zinc/82/44/06/349824406.db2.gz UQDWBXSKRXJXMD-RYUDHWBXSA-N 1 0 247.298 0.275 20 30 BCEDRO C[NH+](C)C[C@@H]1CCCN1c1cnc(C#N)cn1 ZINC000071179046 343626366 /nfs/dbraw/zinc/62/63/66/343626366.db2.gz MHRVLRROSJUXCZ-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO N#CCN1CCC([NH2+][C@H]2CCOC2)CC1 ZINC000380053495 343673540 /nfs/dbraw/zinc/67/35/40/343673540.db2.gz VPHHHRGVJUYRHD-NSHDSACASA-N 1 0 209.293 0.353 20 30 BCEDRO C=CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093483465 537801703 /nfs/dbraw/zinc/80/17/03/537801703.db2.gz PTUCCLWRBXMWTM-OKILXGFUSA-N 1 0 249.310 0.789 20 30 BCEDRO N#Cc1cc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)ncn1 ZINC000601979838 343654020 /nfs/dbraw/zinc/65/40/20/343654020.db2.gz DBJFPKZVDFWYLO-JQWIXIFHSA-N 1 0 243.314 0.927 20 30 BCEDRO N#Cc1ccc(F)c(C[NH2+]C(CO)CO)c1 ZINC000083695275 343657802 /nfs/dbraw/zinc/65/78/02/343657802.db2.gz QZOLSUVWFBLACA-UHFFFAOYSA-N 1 0 224.235 0.140 20 30 BCEDRO C#C[C@@H](CC)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000491628971 259368104 /nfs/dbraw/zinc/36/81/04/259368104.db2.gz LVSRCYFZYQBPBM-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO CCC[N@H+](CCO)CCOCCC#N ZINC000338906181 343691718 /nfs/dbraw/zinc/69/17/18/343691718.db2.gz DCEWYDHVHHRKKZ-UHFFFAOYSA-N 1 0 200.282 0.621 20 30 BCEDRO N#CCCOCC[NH+]1CCC(CO)CC1 ZINC000338904804 343691812 /nfs/dbraw/zinc/69/18/12/343691812.db2.gz PXHDGZVZSVRAOI-UHFFFAOYSA-N 1 0 212.293 0.621 20 30 BCEDRO C=CCCCN(C)C(=O)C[NH2+]CCOC ZINC000158406182 343692050 /nfs/dbraw/zinc/69/20/50/343692050.db2.gz AJGCEKSJIQOTAL-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000173928050 343697539 /nfs/dbraw/zinc/69/75/39/343697539.db2.gz WHDZOXWAQDXAPD-NSHDSACASA-N 1 0 221.304 0.828 20 30 BCEDRO CC#CCC[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634711106 343700810 /nfs/dbraw/zinc/70/08/10/343700810.db2.gz JIWSIMUSNHYRHD-OLZOCXBDSA-N 1 0 225.332 0.901 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634711646 343701486 /nfs/dbraw/zinc/70/14/86/343701486.db2.gz RZEIKWVOTQWRRJ-STQMWFEESA-N 1 0 243.347 0.691 20 30 BCEDRO C[C@@H](CC#N)[NH2+]CCN1CCO[C@H](C)C1 ZINC000380115111 343680544 /nfs/dbraw/zinc/68/05/44/343680544.db2.gz PHJFXUPVMCERPB-WDEREUQCSA-N 1 0 211.309 0.599 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@@]1(CO)CCOC1 ZINC000380240708 343710851 /nfs/dbraw/zinc/71/08/51/343710851.db2.gz NFSNVTLNFXQXJB-WDEREUQCSA-N 1 0 212.293 0.667 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@]1(CO)CCOC1 ZINC000380240705 343710852 /nfs/dbraw/zinc/71/08/52/343710852.db2.gz NFSNVTLNFXQXJB-QWRGUYRKSA-N 1 0 212.293 0.667 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1C[C@@H](O)C[C@@H]1C ZINC000340920818 343719277 /nfs/dbraw/zinc/71/92/77/343719277.db2.gz XGRQYIKCTUACDG-RYUDHWBXSA-N 1 0 238.331 0.642 20 30 BCEDRO N#CCCN1CC[NH+](CCC2(O)CCC2)CC1 ZINC000603017819 349858426 /nfs/dbraw/zinc/85/84/26/349858426.db2.gz PUUHOVRUTFMQLF-UHFFFAOYSA-N 1 0 237.347 0.823 20 30 BCEDRO CN(CCC#N)C(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000495107145 529867765 /nfs/dbraw/zinc/86/77/65/529867765.db2.gz YHGKOMKIRVIFCM-LLVKDONJSA-N 1 0 221.304 0.985 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](Cc2nc(=O)n(C)[nH]2)C1 ZINC000625700865 344040464 /nfs/dbraw/zinc/04/04/64/344040464.db2.gz FMKARKKSDRVZHF-SECBINFHSA-N 1 0 222.292 0.506 20 30 BCEDRO CC[N@H+](CCO)CCNC(=O)CC1(C#N)CC1 ZINC000590330455 346999322 /nfs/dbraw/zinc/99/93/22/346999322.db2.gz ISOIIFWGEFFUDV-UHFFFAOYSA-N 1 0 239.319 0.111 20 30 BCEDRO C=CCCC(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000683910617 488243603 /nfs/dbraw/zinc/24/36/03/488243603.db2.gz JWUNVEBKGSRHKC-CYBMUJFWSA-N 1 0 240.347 0.868 20 30 BCEDRO CC[C@@H]([NH3+])c1cn(CC2(C#N)CC2)nn1 ZINC000603226698 349889385 /nfs/dbraw/zinc/88/93/85/349889385.db2.gz FZBIKLORXOYMJW-MRVPVSSYSA-N 1 0 205.265 0.992 20 30 BCEDRO CC[C@H]([NH3+])c1cn(CC2(C#N)CC2)nn1 ZINC000603226700 349889402 /nfs/dbraw/zinc/88/94/02/349889402.db2.gz FZBIKLORXOYMJW-QMMMGPOBSA-N 1 0 205.265 0.992 20 30 BCEDRO CC[N@@H+]1CC[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000334808633 343908928 /nfs/dbraw/zinc/90/89/28/343908928.db2.gz RUHKYMSJRNXUTC-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO CC[N@@H+]1CC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000334808661 343909095 /nfs/dbraw/zinc/90/90/95/343909095.db2.gz RZXHMMSXZGNDJC-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc(CCCC[NH3+])nn1 ZINC000603231989 349892112 /nfs/dbraw/zinc/89/21/12/349892112.db2.gz BWOJJUYVNJLWIR-SNVBAGLBSA-N 1 0 238.291 0.460 20 30 BCEDRO C=CCC[C@H](O)C[N@H+](C)CCN1CCCC1=O ZINC000128817204 343919583 /nfs/dbraw/zinc/91/95/83/343919583.db2.gz DKPHZCONVUPWRB-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CC[N@@H+](CCc1cn(C)nn1)[C@H](C)COC ZINC000625530824 343920003 /nfs/dbraw/zinc/92/00/03/343920003.db2.gz UBODTXGUWOMYGC-LLVKDONJSA-N 1 0 238.335 0.881 20 30 BCEDRO C=CCC[C@H](O)Cn1cc(C[NH2+]CC)nn1 ZINC000641212907 362274906 /nfs/dbraw/zinc/27/49/06/362274906.db2.gz UECQHSZEDXUNDC-NSHDSACASA-N 1 0 224.308 0.715 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092630725 343960531 /nfs/dbraw/zinc/96/05/31/343960531.db2.gz QKCFNTLZZVURIL-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO COCC[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000165699639 343963995 /nfs/dbraw/zinc/96/39/95/343963995.db2.gz GMWPHBPPEDBQDX-NSHDSACASA-N 1 0 225.336 0.989 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](C[C@@H](O)COCCOC)C1 ZINC000625703811 344048399 /nfs/dbraw/zinc/04/83/99/344048399.db2.gz SSULMHNPCKOFBW-QWHCGFSZSA-N 1 0 243.347 0.908 20 30 BCEDRO C[NH2+]Cc1cn(CC2(C#N)CCC2)nn1 ZINC000603256349 349900705 /nfs/dbraw/zinc/90/07/05/349900705.db2.gz OVJPAESCHOJSJZ-UHFFFAOYSA-N 1 0 205.265 0.691 20 30 BCEDRO N#CC1(Cn2cc(COCC[NH3+])nn2)CCC1 ZINC000603256262 349900769 /nfs/dbraw/zinc/90/07/69/349900769.db2.gz MTOOLCOFJOJSTP-UHFFFAOYSA-N 1 0 235.291 0.447 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000396486426 347027801 /nfs/dbraw/zinc/02/78/01/347027801.db2.gz MNHOGPVTCSRVJD-UWVGGRQHSA-N 1 0 223.320 0.993 20 30 BCEDRO C#CCNC(NCc1ccc2c(c1)OCO2)=[NH+]C ZINC000079330991 344110617 /nfs/dbraw/zinc/11/06/17/344110617.db2.gz NAUVCGRSXFCTCQ-UHFFFAOYSA-N 1 0 245.282 0.714 20 30 BCEDRO C#CCNC(NCc1noc(C)n1)=[NH+]CC ZINC000083175792 344172219 /nfs/dbraw/zinc/17/22/19/344172219.db2.gz DPLJUGVCTPLHTP-UHFFFAOYSA-N 1 0 221.264 0.066 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)CC(=O)NC ZINC000129994666 344217374 /nfs/dbraw/zinc/21/73/74/344217374.db2.gz ZJAOROKQHLYMGY-SECBINFHSA-N 1 0 214.334 0.467 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)CC(=O)N(C)C ZINC000129983345 344217516 /nfs/dbraw/zinc/21/75/16/344217516.db2.gz FKXHQUFENUZECM-SNVBAGLBSA-N 1 0 228.361 0.809 20 30 BCEDRO C=CCN(C(=O)C[NH2+]CCOC)C1CC1 ZINC000131287478 344230180 /nfs/dbraw/zinc/23/01/80/344230180.db2.gz WAQUUQJAXKCUKR-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO CC(C)(C#N)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000588867070 344196564 /nfs/dbraw/zinc/19/65/64/344196564.db2.gz IGXZDWXECJKCQN-JTQLQIEISA-N 1 0 239.319 0.109 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CC[C@@H](O)C2)CC1 ZINC000600745829 344368257 /nfs/dbraw/zinc/36/82/57/344368257.db2.gz SWAXSLOBQDQXHZ-UTUOFQBUSA-N 1 0 238.331 0.792 20 30 BCEDRO C[C@@H]1COCC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000619426232 344332796 /nfs/dbraw/zinc/33/27/96/344332796.db2.gz IGMLWCOZFCECST-YPMHNXCESA-N 1 0 237.347 0.989 20 30 BCEDRO CC[C@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600737755 344366085 /nfs/dbraw/zinc/36/60/85/344366085.db2.gz INBKWNDNQJQPJV-ZJUUUORDSA-N 1 0 212.293 0.402 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCC[C@H]2O)CC1 ZINC000600738746 344366484 /nfs/dbraw/zinc/36/64/84/344366484.db2.gz MJWFVXWCYGKOOT-GMTAPVOTSA-N 1 0 224.304 0.544 20 30 BCEDRO CO[C@H](C)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600745291 344366907 /nfs/dbraw/zinc/36/69/07/344366907.db2.gz FCWPJMXLCMIPTM-NXEZZACHSA-N 1 0 212.293 0.666 20 30 BCEDRO CO[C@H](C)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600745297 344367033 /nfs/dbraw/zinc/36/70/33/344367033.db2.gz FCWPJMXLCMIPTM-ZJUUUORDSA-N 1 0 212.293 0.666 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CC2(CO)CCC2)CC1 ZINC000600744408 344367843 /nfs/dbraw/zinc/36/78/43/344367843.db2.gz PEAACUDGHLJRTL-NSHDSACASA-N 1 0 238.331 0.793 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000600712861 344361813 /nfs/dbraw/zinc/36/18/13/344361813.db2.gz BSFKETSVXLXZKU-MNOVXSKESA-N 1 0 224.304 0.810 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]Cc2cc[nH]n2)CC1 ZINC000600719377 344362704 /nfs/dbraw/zinc/36/27/04/344362704.db2.gz SKDJSPILYXTFSV-JTQLQIEISA-N 1 0 220.276 0.554 20 30 BCEDRO N#Cc1ccc(N2CC[NH+](CC3CC3)CC2)nn1 ZINC000158065529 344368096 /nfs/dbraw/zinc/36/80/96/344368096.db2.gz FEGFWNPULWNLKY-UHFFFAOYSA-N 1 0 243.314 0.880 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[C@@H]1CC[NH2+]C1 ZINC000084383413 344424950 /nfs/dbraw/zinc/42/49/50/344424950.db2.gz BDXBSJHVVCVERT-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1CC=CC1 ZINC000600751354 344368413 /nfs/dbraw/zinc/36/84/13/344368413.db2.gz PZFJLALFLLGNHP-CYBMUJFWSA-N 1 0 237.347 0.749 20 30 BCEDRO CC[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)[C@H](C)O ZINC000600746735 344368812 /nfs/dbraw/zinc/36/88/12/344368812.db2.gz XFSXWUFIORJUIP-AXFHLTTASA-N 1 0 226.320 0.790 20 30 BCEDRO C/C=C/C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000600753471 344370552 /nfs/dbraw/zinc/37/05/52/344370552.db2.gz BCOZJCODJUOCBZ-UFFNRZRYSA-N 1 0 211.309 0.358 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC1([NH2+]C)CCC1 ZINC000600826631 344381644 /nfs/dbraw/zinc/38/16/44/344381644.db2.gz QZMBVUUMHYZCNU-SECBINFHSA-N 1 0 209.293 0.794 20 30 BCEDRO N#CCC1C[NH+](C[C@H](O)CC2(O)CCC2)C1 ZINC000600847161 344382895 /nfs/dbraw/zinc/38/28/95/344382895.db2.gz WXJHIHNLIIYXNR-LLVKDONJSA-N 1 0 224.304 0.498 20 30 BCEDRO N#CCC1C[NH+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000600847162 344382943 /nfs/dbraw/zinc/38/29/43/344382943.db2.gz WXJHIHNLIIYXNR-NSHDSACASA-N 1 0 224.304 0.498 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@H](O)C(C)(C)C1 ZINC000380874888 344446303 /nfs/dbraw/zinc/44/63/03/344446303.db2.gz OAZOIEANJNHMLZ-UWVGGRQHSA-N 1 0 227.304 0.807 20 30 BCEDRO C=CCN1CCC([NH2+][C@@H](C)[C@@H](C)O)CC1 ZINC000570836020 323072124 /nfs/dbraw/zinc/07/21/24/323072124.db2.gz APHQVMOFCRTAQC-WDEREUQCSA-N 1 0 212.337 0.996 20 30 BCEDRO C[C@@H](C[NH2+]CCC#N)N1C[C@@H](C)O[C@@H](C)C1 ZINC000381449302 344506865 /nfs/dbraw/zinc/50/68/65/344506865.db2.gz GXLWPYVWQIKYKM-SDDRHHMPSA-N 1 0 225.336 0.987 20 30 BCEDRO N#Cc1ccc(C[NH2+]C(CO)CO)s1 ZINC000135501966 344484979 /nfs/dbraw/zinc/48/49/79/344484979.db2.gz LCFPOFBHDJJQMZ-UHFFFAOYSA-N 1 0 212.274 0.063 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(C#N)cc1 ZINC000135502930 344485547 /nfs/dbraw/zinc/48/55/47/344485547.db2.gz WCFRJDZDORIRQL-SECBINFHSA-N 1 0 217.272 0.912 20 30 BCEDRO C[C@H]1CN(CC[NH2+]Cc2ccc(C#N)o2)CCO1 ZINC000540591695 344531511 /nfs/dbraw/zinc/53/15/11/344531511.db2.gz NJXVGFJZTGCWEZ-NSHDSACASA-N 1 0 249.314 0.962 20 30 BCEDRO CC(C)(C)CN(CCC#N)CC(=O)NC(N)=O ZINC000109813374 344535255 /nfs/dbraw/zinc/53/52/55/344535255.db2.gz VHGMYZSPURVCMU-UHFFFAOYSA-N 1 0 240.307 0.443 20 30 BCEDRO C[C@@H](C[NH+]1CCCCC1)NC(=O)CC#N ZINC000044388147 344540123 /nfs/dbraw/zinc/54/01/23/344540123.db2.gz SCONBVGYCVTURR-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000044810678 344548889 /nfs/dbraw/zinc/54/88/89/344548889.db2.gz CMJYZLAJSKVABC-VIFPVBQESA-N 1 0 209.293 0.699 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2cccc(C#N)n2)C1 ZINC000259199724 344551474 /nfs/dbraw/zinc/55/14/74/344551474.db2.gz WUXGTALBBJMBOZ-JTQLQIEISA-N 1 0 244.298 0.635 20 30 BCEDRO CCCN(CC#N)CCN1CCOCC1 ZINC000045092466 344558556 /nfs/dbraw/zinc/55/85/56/344558556.db2.gz ZTOLALOWYMZLQO-UHFFFAOYSA-N 1 0 211.309 0.554 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000625974322 344638461 /nfs/dbraw/zinc/63/84/61/344638461.db2.gz XTVPIIBQWYBGDY-SVDPJWKOSA-N 1 0 226.320 0.690 20 30 BCEDRO C[C@H](C#N)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000260232713 344745308 /nfs/dbraw/zinc/74/53/08/344745308.db2.gz WTABSLYIHQTEPO-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H](C#N)CNC(=O)[C@H]1CCCC[N@@H+]1C ZINC000260232748 344745448 /nfs/dbraw/zinc/74/54/48/344745448.db2.gz WTABSLYIHQTEPO-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H](CO)C[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000609406169 344692627 /nfs/dbraw/zinc/69/26/27/344692627.db2.gz RUWBNDQCBRDAAL-NXEZZACHSA-N 1 0 249.318 0.014 20 30 BCEDRO C=CCCC[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000117880885 344759235 /nfs/dbraw/zinc/75/92/35/344759235.db2.gz MTXQMSJELUSCPP-JTQLQIEISA-N 1 0 214.309 0.775 20 30 BCEDRO CC(C)OCC[NH+]1CCN(CCC#N)CC1 ZINC000074798540 344760156 /nfs/dbraw/zinc/76/01/56/344760156.db2.gz LVBPCNUOBGREMC-UHFFFAOYSA-N 1 0 225.336 0.943 20 30 BCEDRO CC[C@@H]1C[C@@H](C)C[N@@H+]1CC(=O)NCC#N ZINC000075021566 344761358 /nfs/dbraw/zinc/76/13/58/344761358.db2.gz FROQNYQQSREYNW-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNc1cncc(C#N)n1 ZINC000401233771 530058036 /nfs/dbraw/zinc/05/80/36/530058036.db2.gz POXWRSGOLJHXKT-SNVBAGLBSA-N 1 0 217.276 0.854 20 30 BCEDRO N#Cc1cc(NC[C@H]2CCCC[NH2+]2)ncn1 ZINC000309472097 347071517 /nfs/dbraw/zinc/07/15/17/347071517.db2.gz XFKBUUMAOJTCCA-SECBINFHSA-N 1 0 217.276 0.902 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(O)(CC)CC1 ZINC000075859284 344785930 /nfs/dbraw/zinc/78/59/30/344785930.db2.gz UYQADAUWVBZOTP-NSHDSACASA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000237572800 344856538 /nfs/dbraw/zinc/85/65/38/344856538.db2.gz ZSYDBDPGZYANTH-ONGXEEELSA-N 1 0 226.320 0.821 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(OC)CC1 ZINC000042567606 344868317 /nfs/dbraw/zinc/86/83/17/344868317.db2.gz AMWGCIWRIPICBZ-JTQLQIEISA-N 1 0 224.304 0.235 20 30 BCEDRO C=C(C)C[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000181938411 323079384 /nfs/dbraw/zinc/07/93/84/323079384.db2.gz GRXILVZHNQJIBL-NSHDSACASA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000153477526 344885316 /nfs/dbraw/zinc/88/53/16/344885316.db2.gz DUJSWDPFERMVFC-IJLUTSLNSA-N 1 0 229.320 0.395 20 30 BCEDRO CNC(NCc1ccc(C(=O)N(C)C)cc1)=[NH+]C ZINC000078647365 344893468 /nfs/dbraw/zinc/89/34/68/344893468.db2.gz XBBCVRSHDZLUAG-UHFFFAOYSA-N 1 0 248.330 0.683 20 30 BCEDRO CC(C)(C#N)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000262318409 534977542 /nfs/dbraw/zinc/97/75/42/534977542.db2.gz QFCWJDAXFHNURI-SECBINFHSA-N 1 0 224.308 0.619 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000121957313 344944683 /nfs/dbraw/zinc/94/46/83/344944683.db2.gz ITIRJZZCIAEXLG-AXFHLTTASA-N 1 0 208.305 0.997 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000176380265 344983787 /nfs/dbraw/zinc/98/37/87/344983787.db2.gz DNBGEBCHBZLDAR-UHFFFAOYSA-N 1 0 246.314 0.721 20 30 BCEDRO CC(C)(C#N)CCC[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000174837033 534981998 /nfs/dbraw/zinc/98/19/98/534981998.db2.gz RCVTZBXKTNLWNN-JTQLQIEISA-N 1 0 239.319 0.502 20 30 BCEDRO CC#CCC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000155134821 345068909 /nfs/dbraw/zinc/06/89/09/345068909.db2.gz MMAZTNQGHIHATA-UHFFFAOYSA-N 1 0 235.331 0.889 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cnc(C)cn1 ZINC000294103082 345056289 /nfs/dbraw/zinc/05/62/89/345056289.db2.gz YKFMXFSLMLCAOT-UHFFFAOYSA-N 1 0 246.314 0.470 20 30 BCEDRO CC1(C#N)CC[NH+]([C@H]2COC[C@H]2O)CC1 ZINC000361348233 345120064 /nfs/dbraw/zinc/12/00/64/345120064.db2.gz IRYCKRZUTVIICT-VHSXEESVSA-N 1 0 210.277 0.372 20 30 BCEDRO N#CCC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000408308807 345104871 /nfs/dbraw/zinc/10/48/71/345104871.db2.gz LACQWHHCYYZCPC-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO C=CCNC(=O)CCN1CC[NH+](CC)CC1 ZINC000242550934 345154570 /nfs/dbraw/zinc/15/45/70/345154570.db2.gz CBBKPPHNBSUFTG-UHFFFAOYSA-N 1 0 225.336 0.316 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)CC(O)(CC)CC ZINC000626109623 345252540 /nfs/dbraw/zinc/25/25/40/345252540.db2.gz UUZQINNVDLEWDU-UHFFFAOYSA-N 1 0 228.336 0.772 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCCN(c3nccc(C#N)n3)[C@@H]2C1 ZINC000425277948 192086950 /nfs/dbraw/zinc/08/69/50/192086950.db2.gz DBZAIUROAVYMNT-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO CN(CC#N)C(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000080611100 345355734 /nfs/dbraw/zinc/35/57/34/345355734.db2.gz DAEFDHVIFYOYJC-GHMZBOCLSA-N 1 0 221.304 0.843 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000381335728 345380401 /nfs/dbraw/zinc/38/04/01/345380401.db2.gz VPTSXJQUDWZCFA-NXEZZACHSA-N 1 0 221.304 0.794 20 30 BCEDRO COc1ccccc1CNC(=[NH2+])NC[C@@H](C)O ZINC000132379345 345329148 /nfs/dbraw/zinc/32/91/48/345329148.db2.gz SFIUHLFJMORKCF-SECBINFHSA-N 1 0 237.303 0.480 20 30 BCEDRO COC(=O)c1cccc(CCNC(=[NH2+])N(C)C)c1 ZINC000132399587 345330195 /nfs/dbraw/zinc/33/01/95/345330195.db2.gz SYPDYLYOTYYBSE-UHFFFAOYSA-N 1 0 249.314 0.892 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1cnn(C)c1 ZINC000134402917 345411259 /nfs/dbraw/zinc/41/12/59/345411259.db2.gz KLKYLFKKNDARKO-VIFPVBQESA-N 1 0 222.292 0.373 20 30 BCEDRO CC#CCNC(=O)NCCC[N@@H+](C)CCOC ZINC000135614137 345446345 /nfs/dbraw/zinc/44/63/45/345446345.db2.gz JZEZZXNIJHOVNE-UHFFFAOYSA-N 1 0 241.335 0.277 20 30 BCEDRO CC#CCNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000135653075 345448016 /nfs/dbraw/zinc/44/80/16/345448016.db2.gz YRIJCWJYCNRBJY-SNVBAGLBSA-N 1 0 223.320 0.792 20 30 BCEDRO C=CCNC(NC[C@H]1CCC[C@H]1O)=[NH+]CC ZINC000081772606 345491479 /nfs/dbraw/zinc/49/14/79/345491479.db2.gz OZPAOXGDLQMAQJ-GHMZBOCLSA-N 1 0 225.336 0.889 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1cc(C#N)cn1C ZINC000081804636 345492632 /nfs/dbraw/zinc/49/26/32/345492632.db2.gz ZJWSWVQDKQIRMC-UHFFFAOYSA-N 1 0 234.303 0.530 20 30 BCEDRO C[NH+](C)CCNC(=O)c1ccc(F)c(C#N)c1 ZINC000082271755 345500175 /nfs/dbraw/zinc/50/01/75/345500175.db2.gz JUZZSVWPNCYPCV-UHFFFAOYSA-N 1 0 235.262 0.989 20 30 BCEDRO [NH2+]=C(NCCO)N[C@@H]1CCOc2ccccc21 ZINC000083029543 345503927 /nfs/dbraw/zinc/50/39/27/345503927.db2.gz JMMBXLYRIXUQDT-SNVBAGLBSA-N 1 0 235.287 0.407 20 30 BCEDRO N#CCn1cc(C[C@@H]2CCC[NH2+]C2)nn1 ZINC000600972957 345546749 /nfs/dbraw/zinc/54/67/49/345546749.db2.gz PIFANJLSSZCRTH-VIFPVBQESA-N 1 0 205.265 0.344 20 30 BCEDRO C=CCCC[C@H](C)[N@@H+]1CCO[C@H](C(N)=O)C1 ZINC000091509927 345596267 /nfs/dbraw/zinc/59/62/67/345596267.db2.gz NFIFANXYIVPYQA-QWRGUYRKSA-N 1 0 226.320 0.917 20 30 BCEDRO N#Cc1cc(C[N@H+]2CCC[C@@H]2CO)ccn1 ZINC000082669200 345664829 /nfs/dbraw/zinc/66/48/29/345664829.db2.gz GRPNWAMMJXRNHT-GFCCVEGCSA-N 1 0 217.272 0.910 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N[C@H](C#N)C1CC1 ZINC000108836527 535001640 /nfs/dbraw/zinc/00/16/40/535001640.db2.gz UHAOZEMSQIVXSW-SNVBAGLBSA-N 1 0 209.293 0.745 20 30 BCEDRO CC1(CNC(=O)NCC[NH+]2CCC2)COC1 ZINC000328710280 537906139 /nfs/dbraw/zinc/90/61/39/537906139.db2.gz MQXFQAMXUWFNMG-UHFFFAOYSA-N 1 0 227.308 0.232 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000138798831 345787005 /nfs/dbraw/zinc/78/70/05/345787005.db2.gz CZESABBQKXZMQW-NSHDSACASA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCNC(=O)CN1CC[NH+](CCC)CC1 ZINC000049090851 345855956 /nfs/dbraw/zinc/85/59/56/345855956.db2.gz MOVKALRTGCIUCB-UHFFFAOYSA-N 1 0 225.336 0.316 20 30 BCEDRO N#CCN1CCC[C@@H]([NH+]2CCOCC2)CC1 ZINC000585716983 345980949 /nfs/dbraw/zinc/98/09/49/345980949.db2.gz QEYMEGGCASHRNG-GFCCVEGCSA-N 1 0 223.320 0.697 20 30 BCEDRO C#CCCC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000161137691 346011159 /nfs/dbraw/zinc/01/11/59/346011159.db2.gz MYQXXPSSUQKTJB-SNVBAGLBSA-N 1 0 207.277 0.109 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000635783223 346068170 /nfs/dbraw/zinc/06/81/70/346068170.db2.gz DECPXYHGNPPUFI-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCOCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635783928 346068894 /nfs/dbraw/zinc/06/88/94/346068894.db2.gz NBERACMLLOLMSB-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCN(CCOC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635848046 346089603 /nfs/dbraw/zinc/08/96/03/346089603.db2.gz IKSWNYOPJGLBLH-LBPRGKRZSA-N 1 0 240.347 0.989 20 30 BCEDRO C=CCCCNC(=O)C(=O)NC[C@@H](C)[NH2+]CC ZINC000419044114 192098270 /nfs/dbraw/zinc/09/82/70/192098270.db2.gz PBBQOUIPDOLWPU-SNVBAGLBSA-N 1 0 241.335 0.183 20 30 BCEDRO C=CCCCNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000419044261 192098353 /nfs/dbraw/zinc/09/83/53/192098353.db2.gz PKBOKJYPDRNNJP-SNVBAGLBSA-N 1 0 241.335 0.168 20 30 BCEDRO C=CCCCNC(=O)C(=O)NC[C@@H](C)C[NH2+]C ZINC000419069779 192099368 /nfs/dbraw/zinc/09/93/68/192099368.db2.gz UVQGNEIYPKKWDZ-JTQLQIEISA-N 1 0 241.335 0.041 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1c(C)cnn1C ZINC000641767664 362702587 /nfs/dbraw/zinc/70/25/87/362702587.db2.gz NXXNLEVTLZUTNE-LLVKDONJSA-N 1 0 221.304 0.592 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cnc(C)nc1 ZINC000641769676 362703944 /nfs/dbraw/zinc/70/39/44/362703944.db2.gz XVEGGCYPQYYNLY-LBPRGKRZSA-N 1 0 219.288 0.649 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000641768259 362706171 /nfs/dbraw/zinc/70/61/71/362706171.db2.gz YQMGHVQRYKEXTM-LLVKDONJSA-N 1 0 220.272 0.651 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CCCn2cncn2)C1 ZINC000381792030 346405271 /nfs/dbraw/zinc/40/52/71/346405271.db2.gz AJVLESCISBQEES-MNOVXSKESA-N 1 0 219.292 0.950 20 30 BCEDRO C[N@@H+]1CC[C@H](CNc2cncc(C#N)n2)C1 ZINC000401205960 346449333 /nfs/dbraw/zinc/44/93/33/346449333.db2.gz CMVMNGZHWCDKDS-SECBINFHSA-N 1 0 217.276 0.712 20 30 BCEDRO C=CCNC(=O)[C@H](C)N[C@H]1C[C@H]([NH3+])C1(C)C ZINC000641802697 362763277 /nfs/dbraw/zinc/76/32/77/362763277.db2.gz ARFJACLYLVOCAW-GUBZILKMSA-N 1 0 225.336 0.393 20 30 BCEDRO N#Cc1ccccc1OCCn1nnnc1C[NH3+] ZINC000580070671 346507415 /nfs/dbraw/zinc/50/74/15/346507415.db2.gz SHAFQGAQDVDXSD-UHFFFAOYSA-N 1 0 244.258 0.082 20 30 BCEDRO C=CCN1CC[C@H](N[C@@H]2C[C@@H]([NH3+])C2(C)C)C1=O ZINC000641801417 362755159 /nfs/dbraw/zinc/75/51/59/362755159.db2.gz QMSBNEAJTDGYGC-HBNTYKKESA-N 1 0 237.347 0.489 20 30 BCEDRO CC[N@H+](C)CCNC(=O)NC[C@@H](C)C#N ZINC000182614322 347100363 /nfs/dbraw/zinc/10/03/63/347100363.db2.gz VICVZVNBDLJBEP-VIFPVBQESA-N 1 0 212.297 0.397 20 30 BCEDRO N#Cc1ncn(CC[NH2+]CC[C@@H]2CCOC2)n1 ZINC000580128751 346545264 /nfs/dbraw/zinc/54/52/64/346545264.db2.gz VGQBKQSTOWGWTD-SNVBAGLBSA-N 1 0 235.291 0.166 20 30 BCEDRO N#Cc1ncn(CC[NH2+]CC[C@H]2CCOC2)n1 ZINC000580128750 346545287 /nfs/dbraw/zinc/54/52/87/346545287.db2.gz VGQBKQSTOWGWTD-JTQLQIEISA-N 1 0 235.291 0.166 20 30 BCEDRO CCN(CC[NH3+])C(=O)c1cccc(C#N)c1 ZINC000300861784 346599110 /nfs/dbraw/zinc/59/91/10/346599110.db2.gz VJSFGJAMMWLROO-UHFFFAOYSA-N 1 0 217.272 0.979 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)COC ZINC000580641365 365839974 /nfs/dbraw/zinc/83/99/74/365839974.db2.gz OQKFFYQEDKAYLT-AXFHLTTASA-N 1 0 215.293 0.317 20 30 BCEDRO C[C@@H]1C[C@H]1C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000580184764 346629707 /nfs/dbraw/zinc/62/97/07/346629707.db2.gz SNIFVGAKKRFQOH-WOPDTQHZSA-N 1 0 225.336 0.438 20 30 BCEDRO N#Cc1nccnc1N[C@@H]1CCc2cncn2C1 ZINC000588067797 346632106 /nfs/dbraw/zinc/63/21/06/346632106.db2.gz QMRHDEZQHOEOGG-SECBINFHSA-N 1 0 240.270 0.972 20 30 BCEDRO CC[N@@H+]1CCN(c2ccc(C#N)nn2)[C@H](C)C1 ZINC000588069017 346632338 /nfs/dbraw/zinc/63/23/38/346632338.db2.gz ZBNNXYXXQRURSL-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@H]1C[N@H+](C)CCN1c1cncc(C#N)n1 ZINC000401350624 346635687 /nfs/dbraw/zinc/63/56/87/346635687.db2.gz XIBNHIWBGSWYGQ-VIFPVBQESA-N 1 0 217.276 0.489 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CSC[C@H]1C ZINC000380065526 365837019 /nfs/dbraw/zinc/83/70/19/365837019.db2.gz BYEZOLLFJPGBIG-KXUCPTDWSA-N 1 0 226.345 0.465 20 30 BCEDRO CCc1nc(C#N)cc(N2CC[N@@H+]3CC[C@H]2C3)n1 ZINC000308159263 346708665 /nfs/dbraw/zinc/70/86/65/346708665.db2.gz CUGTWBGCLSPZTP-NSHDSACASA-N 1 0 243.314 0.805 20 30 BCEDRO C[N@H+](C[C@H](O)CN1CC[C@@](F)(C#N)C1)C1CC1 ZINC000589261611 346682007 /nfs/dbraw/zinc/68/20/07/346682007.db2.gz CTYZDJFIJLKVRQ-NWDGAFQWSA-N 1 0 241.310 0.379 20 30 BCEDRO C[C@@H](CNC(=O)c1cccc(C#N)n1)[NH+](C)C ZINC000589299038 346686384 /nfs/dbraw/zinc/68/63/84/346686384.db2.gz GOFRGTRUXLVKAI-VIFPVBQESA-N 1 0 232.287 0.633 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cccc(C#N)n1 ZINC000589335569 346692366 /nfs/dbraw/zinc/69/23/66/346692366.db2.gz OYSKFYWOAPDVED-NSHDSACASA-N 1 0 244.298 0.777 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(CC3(C#N)CC3)[C@H]2C1 ZINC000590012783 346764081 /nfs/dbraw/zinc/76/40/81/346764081.db2.gz YEZRSILDDAXTMI-MNOVXSKESA-N 1 0 205.305 0.926 20 30 BCEDRO N#Cc1cncc(N2CCC(CC[NH3+])CC2)n1 ZINC000401514835 346765897 /nfs/dbraw/zinc/76/58/97/346765897.db2.gz OBAIOTZZJJMNRZ-UHFFFAOYSA-N 1 0 231.303 0.913 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000053246065 346729753 /nfs/dbraw/zinc/72/97/53/346729753.db2.gz ZOTSHQDMZYUIIF-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000589822788 346739275 /nfs/dbraw/zinc/73/92/75/346739275.db2.gz TZBOBKYUMQWEKO-OLZOCXBDSA-N 1 0 239.363 0.925 20 30 BCEDRO C[N@H+](CCOCCC#N)C[C@H](O)C1CC1 ZINC000590161199 346784337 /nfs/dbraw/zinc/78/43/37/346784337.db2.gz HSWIJKVEESTKNS-NSHDSACASA-N 1 0 212.293 0.619 20 30 BCEDRO C[C@@H]1CC(=O)NCC[N@@H+]1CCOCCC#N ZINC000590169359 346787122 /nfs/dbraw/zinc/78/71/22/346787122.db2.gz XPQMHXJPEXJZAU-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2CCOCCC#N)C1 ZINC000590183974 346788690 /nfs/dbraw/zinc/78/86/90/346788690.db2.gz LDBYMAXBZUOAEY-RYUDHWBXSA-N 1 0 223.320 0.553 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)C3(C#N)CCC3)[C@H]2C1 ZINC000590440735 347114167 /nfs/dbraw/zinc/11/41/67/347114167.db2.gz BGRQSEWZXPBRRW-MNOVXSKESA-N 1 0 233.315 0.843 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C(C)(C)C#N)C1 ZINC000590445907 347120334 /nfs/dbraw/zinc/12/03/34/347120334.db2.gz ULKPDEATGZNEBQ-UWVGGRQHSA-N 1 0 221.304 0.699 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CCCn2ccnn2)C1 ZINC000309609070 347121364 /nfs/dbraw/zinc/12/13/64/347121364.db2.gz YVLAWOLHEINEKV-QWRGUYRKSA-N 1 0 219.292 0.950 20 30 BCEDRO CCN(CC#N)S(=O)(=O)CCC[NH+](C)C ZINC000601315892 347198483 /nfs/dbraw/zinc/19/84/83/347198483.db2.gz PHDVFKGQNBSVBH-UHFFFAOYSA-N 1 0 233.337 0.113 20 30 BCEDRO CNC(=O)C1CN(C[C@@H](C#N)CCC#N)C1 ZINC000184784957 347177428 /nfs/dbraw/zinc/17/74/28/347177428.db2.gz WFTONWMASVJNAJ-SECBINFHSA-N 1 0 220.276 0.108 20 30 BCEDRO C[C@@H](C#N)CN(C)S(=O)(=O)CCC[NH+](C)C ZINC000601303199 347178386 /nfs/dbraw/zinc/17/83/86/347178386.db2.gz AGJPJYDRLVAYEJ-JTQLQIEISA-N 1 0 247.364 0.359 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CN(c3ccncn3)C2)C1 ZINC000601303403 347178575 /nfs/dbraw/zinc/17/85/75/347178575.db2.gz CDSIISZCOFCULC-GHMZBOCLSA-N 1 0 243.314 0.947 20 30 BCEDRO C[C@H](C#N)CN(C)S(=O)(=O)CCC[NH+](C)C ZINC000601303200 347178796 /nfs/dbraw/zinc/17/87/96/347178796.db2.gz AGJPJYDRLVAYEJ-SNVBAGLBSA-N 1 0 247.364 0.359 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]C2CN(c3ccncn3)C2)C1 ZINC000601303410 347178826 /nfs/dbraw/zinc/17/88/26/347178826.db2.gz CDSIISZCOFCULC-WDEREUQCSA-N 1 0 243.314 0.947 20 30 BCEDRO C[C@@H](CC#N)N(C)S(=O)(=O)CCC[NH+](C)C ZINC000601336574 347229807 /nfs/dbraw/zinc/22/98/07/347229807.db2.gz FBYKBVMGKFSZNN-JTQLQIEISA-N 1 0 247.364 0.502 20 30 BCEDRO C[C@H](CC#N)N(C)S(=O)(=O)CCC[NH+](C)C ZINC000601336575 347229956 /nfs/dbraw/zinc/22/99/56/347229956.db2.gz FBYKBVMGKFSZNN-SNVBAGLBSA-N 1 0 247.364 0.502 20 30 BCEDRO C[NH+](C)CCCS(=O)(=O)NCCCCC#N ZINC000601338683 347233681 /nfs/dbraw/zinc/23/36/81/347233681.db2.gz LFGPMTBIAFOAHN-UHFFFAOYSA-N 1 0 247.364 0.551 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)NCCC(=O)OC ZINC000276408231 166256664 /nfs/dbraw/zinc/25/66/64/166256664.db2.gz LHPUUVHDNNLILE-UHFFFAOYSA-N 1 0 228.292 0.174 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000160330442 347258268 /nfs/dbraw/zinc/25/82/68/347258268.db2.gz PVWFEFJVTAWSIS-LLVKDONJSA-N 1 0 208.305 0.987 20 30 BCEDRO C[NH+]=C(NCCOC)NC[C@@H]1CCCS1 ZINC000157373069 136730651 /nfs/dbraw/zinc/73/06/51/136730651.db2.gz YJVJEWGACUJDHX-VIFPVBQESA-N 1 0 231.365 0.693 20 30 BCEDRO CC1(C)C[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)O1 ZINC000119879417 347308313 /nfs/dbraw/zinc/30/83/13/347308313.db2.gz YOHIJJJBFMLLLQ-SECBINFHSA-N 1 0 239.319 0.562 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000616235615 347431121 /nfs/dbraw/zinc/43/11/21/347431121.db2.gz PGNXZDDJYHDYIR-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1nccs1 ZINC000195522796 347457159 /nfs/dbraw/zinc/45/71/59/347457159.db2.gz OIEISFXPSURABR-UHFFFAOYSA-N 1 0 210.306 0.776 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COC ZINC000577216502 365884903 /nfs/dbraw/zinc/88/49/03/365884903.db2.gz MZONGEJWCQXEDK-AXFHLTTASA-N 1 0 215.293 0.174 20 30 BCEDRO C#CCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000364548418 347461881 /nfs/dbraw/zinc/46/18/81/347461881.db2.gz VIWRLAMJZGMDER-CYBMUJFWSA-N 1 0 221.348 0.331 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](O)C(C)(C)C1 ZINC000380103418 365880843 /nfs/dbraw/zinc/88/08/43/365880843.db2.gz XWPUHCGAKPWGPE-QWRGUYRKSA-N 1 0 238.331 0.217 20 30 BCEDRO N#CCCN(CCc1cn[nH]n1)CC1CC1 ZINC000590602946 347475970 /nfs/dbraw/zinc/47/59/70/347475970.db2.gz JISKLDJHJIGMRQ-UHFFFAOYSA-N 1 0 219.292 0.973 20 30 BCEDRO C=CCOCCNC(=O)N[C@H](C)CC[NH+](C)C ZINC000679494549 488355254 /nfs/dbraw/zinc/35/52/54/488355254.db2.gz RZQBTPHKPQPZPM-LLVKDONJSA-N 1 0 243.351 0.828 20 30 BCEDRO CCO[C@@H]1COC[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000590763596 347529484 /nfs/dbraw/zinc/52/94/84/347529484.db2.gz LRDTVQCGMRXLCL-CHWSQXEVSA-N 1 0 247.298 0.847 20 30 BCEDRO CO/N=C/C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000367701347 347556311 /nfs/dbraw/zinc/55/63/11/347556311.db2.gz FZDHMYQBRVUWER-LZAIMSLLSA-N 1 0 227.308 0.561 20 30 BCEDRO C=C(C)CN(C)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000364882333 347579837 /nfs/dbraw/zinc/57/98/37/347579837.db2.gz PLNAKEGHSFPQST-GFCCVEGCSA-N 1 0 237.347 0.411 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)NC[C@H](C)C#N ZINC000590936357 347592883 /nfs/dbraw/zinc/59/28/83/347592883.db2.gz XPLLMQPDPQKPGQ-GHMZBOCLSA-N 1 0 238.335 0.882 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](C)C1CC1 ZINC000194178283 259397135 /nfs/dbraw/zinc/39/71/35/259397135.db2.gz YPNCPGXPYHKGAT-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO CN(CCC#N)C[C@H](O)CN1CC(C)(F)C1 ZINC000591241784 347633154 /nfs/dbraw/zinc/63/31/54/347633154.db2.gz QRQBMCBPLBGOBK-JTQLQIEISA-N 1 0 229.299 0.237 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC1(C)C ZINC000591240799 347633216 /nfs/dbraw/zinc/63/32/16/347633216.db2.gz CBDKMHUPHYPYQU-MNOVXSKESA-N 1 0 225.336 0.581 20 30 BCEDRO C[C@@H](C(=O)NCC1(C#N)CCC1)[NH+](C)C ZINC000591323057 347638629 /nfs/dbraw/zinc/63/86/29/347638629.db2.gz WUVKGODHBWTZHW-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO CC[NH2+]CCCNC(=O)NCC(C)(C)C#N ZINC000591356591 347643919 /nfs/dbraw/zinc/64/39/19/347643919.db2.gz FZXZHYHHRVZQQI-UHFFFAOYSA-N 1 0 226.324 0.835 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000591359980 347645489 /nfs/dbraw/zinc/64/54/89/347645489.db2.gz SALMXSSWNUSCRP-ZYHUDNBSSA-N 1 0 238.335 0.916 20 30 BCEDRO COC[C@@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000591625979 347680121 /nfs/dbraw/zinc/68/01/21/347680121.db2.gz PRAHCXQCFYLWDQ-QWRGUYRKSA-N 1 0 239.319 0.645 20 30 BCEDRO COCCOC[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759683 347692624 /nfs/dbraw/zinc/69/26/24/347692624.db2.gz TXLSBSLRSZQHTH-SNVBAGLBSA-N 1 0 230.308 0.150 20 30 BCEDRO COC(C)(C)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591744610 347695370 /nfs/dbraw/zinc/69/53/70/347695370.db2.gz KWOJYOVQSZFRRX-NSHDSACASA-N 1 0 243.351 0.207 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCC1CC1 ZINC000591744524 347695512 /nfs/dbraw/zinc/69/55/12/347695512.db2.gz GIHFQBZTXZSWBU-LBPRGKRZSA-N 1 0 225.336 0.582 20 30 BCEDRO C[C@H]1C[C@H]([NH2+]C2CCN(CC#N)CC2)CO1 ZINC000592363308 347774401 /nfs/dbraw/zinc/77/44/01/347774401.db2.gz PWQOPSRLJWMTGT-JQWIXIFHSA-N 1 0 223.320 0.741 20 30 BCEDRO Cc1cc(CN2CC[C@](O)(CC#N)C2)no1 ZINC000592147301 347739920 /nfs/dbraw/zinc/73/99/20/347739920.db2.gz NLWQUHWWJHFGQJ-LLVKDONJSA-N 1 0 221.260 0.834 20 30 BCEDRO CCOC(=O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592148297 347740610 /nfs/dbraw/zinc/74/06/10/347740610.db2.gz TZMQQSPKEIVBPL-NSHDSACASA-N 1 0 226.276 0.290 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150612 347741421 /nfs/dbraw/zinc/74/14/21/347741421.db2.gz FBUOESLIQKJQQT-QWRGUYRKSA-N 1 0 210.277 0.274 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CCn2cccn2)C1 ZINC000592150290 347741856 /nfs/dbraw/zinc/74/18/56/347741856.db2.gz DJXYOHXHVSBYOK-NSHDSACASA-N 1 0 220.276 0.234 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CC2CCOCC2)C1 ZINC000592150892 347741894 /nfs/dbraw/zinc/74/18/94/347741894.db2.gz JEUKCJAVJOKNSL-LBPRGKRZSA-N 1 0 224.304 0.763 20 30 BCEDRO Cc1nccn1CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150799 347742050 /nfs/dbraw/zinc/74/20/50/347742050.db2.gz GRKANOUMADXJQS-LBPRGKRZSA-N 1 0 234.303 0.542 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CC[C@@H]2CCCO2)C1 ZINC000592154583 347744350 /nfs/dbraw/zinc/74/43/50/347744350.db2.gz UKKYAAGLOUYWNW-NWDGAFQWSA-N 1 0 224.304 0.906 20 30 BCEDRO CC(C)[C@@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592154568 347744531 /nfs/dbraw/zinc/74/45/31/347744531.db2.gz UEPAPYFGGPFLEH-QWRGUYRKSA-N 1 0 212.293 0.354 20 30 BCEDRO CC(C)(C)[C@@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592155051 347745167 /nfs/dbraw/zinc/74/51/67/347745167.db2.gz WYINTNOMPRFEDR-CMPLNLGQSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@@H]1CC[C@H](C[N@@H+]2CC[C@@](O)(CC#N)C2)O1 ZINC000592155307 347745175 /nfs/dbraw/zinc/74/51/75/347745175.db2.gz ZRKOJIPIZQEFGX-UTUOFQBUSA-N 1 0 224.304 0.904 20 30 BCEDRO CSC[C@@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592155149 347745384 /nfs/dbraw/zinc/74/53/84/347745384.db2.gz YSTBUWYSKZHRKS-VHSXEESVSA-N 1 0 230.333 0.061 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592207363 347757904 /nfs/dbraw/zinc/75/79/04/347757904.db2.gz OUYLYEODLMVOSQ-UWVGGRQHSA-N 1 0 213.277 0.418 20 30 BCEDRO N#CCc1ccc(CNC(=O)COCC[NH3+])cc1 ZINC000592568523 347798231 /nfs/dbraw/zinc/79/82/31/347798231.db2.gz VAFKICKPUHKWSY-UHFFFAOYSA-N 1 0 247.298 0.344 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)C1 ZINC000592569091 347798255 /nfs/dbraw/zinc/79/82/55/347798255.db2.gz YZFHOUXZZXUWHI-OGBGREFGSA-N 1 0 219.288 0.260 20 30 BCEDRO CC[C@H](C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592755844 347814840 /nfs/dbraw/zinc/81/48/40/347814840.db2.gz BQYLWZSFORMWDW-OPRDCNLKSA-N 1 0 209.293 0.745 20 30 BCEDRO CC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC000345820582 365922507 /nfs/dbraw/zinc/92/25/07/365922507.db2.gz URBKCZNYGVMBPR-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H]1[C@H](C(=O)NCCCC#N)CC[N@@H+]1C ZINC000592785414 347816596 /nfs/dbraw/zinc/81/65/96/347816596.db2.gz MRSLNTSWBMMDHE-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCNC(=O)c1cnn2c1[C@@H](C[NH3+])CCC2 ZINC000592476652 347791178 /nfs/dbraw/zinc/79/11/78/347791178.db2.gz OJJOSTXBJUFGIM-SECBINFHSA-N 1 0 234.303 0.635 20 30 BCEDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccncc2C#N)CCO1 ZINC000592475600 347791280 /nfs/dbraw/zinc/79/12/80/347791280.db2.gz PLHXQIWDAYPUPK-MFKMUULPSA-N 1 0 246.314 0.501 20 30 BCEDRO N#CC1(C[NH2+]C[C@@H]2CNc3ccnn3C2)CC1 ZINC000592510544 347792713 /nfs/dbraw/zinc/79/27/13/347792713.db2.gz IWQCZSGPEPAEJU-SNVBAGLBSA-N 1 0 231.303 0.818 20 30 BCEDRO C[C@H](CCC#N)[NH2+][C@H](CO)c1ccnn1C ZINC000593033097 347842336 /nfs/dbraw/zinc/84/23/36/347842336.db2.gz ILHZGXZKDOZNIY-NXEZZACHSA-N 1 0 222.292 0.735 20 30 BCEDRO CN(C[C@@H]1CCC(=O)N1)CC(C)(C)C#N ZINC000593032295 347842710 /nfs/dbraw/zinc/84/27/10/347842710.db2.gz VLHOBYZJODTCAU-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CN1CC[C@](O)(CC#N)C1 ZINC000593036282 347842745 /nfs/dbraw/zinc/84/27/45/347842745.db2.gz XGFIDXWRAMREDR-VXGBXAGGSA-N 1 0 223.320 0.431 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](NC(N)=O)C1 ZINC000593018883 347846087 /nfs/dbraw/zinc/84/60/87/347846087.db2.gz BONPTGHVCYRNRY-RKDXNWHRSA-N 1 0 210.281 0.421 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000593028346 347847350 /nfs/dbraw/zinc/84/73/50/347847350.db2.gz BEUUHLZKZYJBAR-ZYHUDNBSSA-N 1 0 221.304 0.891 20 30 BCEDRO N#CCCCC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593098128 347855130 /nfs/dbraw/zinc/85/51/30/347855130.db2.gz VZITXQJCKNDNFX-PKFCDNJMSA-N 1 0 212.318 0.885 20 30 BCEDRO CC#CCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000563092030 349977040 /nfs/dbraw/zinc/97/70/40/349977040.db2.gz IKBGRHSDPKTGPQ-UHFFFAOYSA-N 1 0 231.299 0.968 20 30 BCEDRO CC[C@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000593664531 347923818 /nfs/dbraw/zinc/92/38/18/347923818.db2.gz RZMAZIHKNGQWMC-MXWKQRLJSA-N 1 0 221.304 0.556 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCCNc1cc[nH+]cc1 ZINC000593893917 347957818 /nfs/dbraw/zinc/95/78/18/347957818.db2.gz OQUJTGAPYRIRLY-JTQLQIEISA-N 1 0 232.287 0.581 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@H](C)[NH+](C)C)C(C)C ZINC000491325811 362850660 /nfs/dbraw/zinc/85/06/60/362850660.db2.gz HEKCASAZNGQUBL-WDEREUQCSA-N 1 0 225.336 0.894 20 30 BCEDRO Cc1nc(C(=O)N2C[C@@H](C)[C@H]([NH3+])C2)ccc1C#N ZINC000593908705 347969404 /nfs/dbraw/zinc/96/94/04/347969404.db2.gz WSUJKBPYDVTRQS-LDYMZIIASA-N 1 0 244.298 0.681 20 30 BCEDRO CNC(=O)CCC[N@H+](C)Cc1ccc(C#N)cn1 ZINC000593967601 347974240 /nfs/dbraw/zinc/97/42/40/347974240.db2.gz CFBBBULKNQRAIO-UHFFFAOYSA-N 1 0 246.314 0.911 20 30 BCEDRO CC[C@@H](C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000594259831 348027787 /nfs/dbraw/zinc/02/77/87/348027787.db2.gz KSOQUNJOSRZROJ-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000594246969 348025610 /nfs/dbraw/zinc/02/56/10/348025610.db2.gz CKANUHFCFGYNMI-GARJFASQSA-N 1 0 238.335 0.785 20 30 BCEDRO CN(CCC#N)C(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594524511 348069541 /nfs/dbraw/zinc/06/95/41/348069541.db2.gz KITJFTKRXFQJFD-LURJTMIESA-N 1 0 238.213 0.431 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000594525399 348069827 /nfs/dbraw/zinc/06/98/27/348069827.db2.gz QVXPOSVYVNSTNU-WDSKDSINSA-N 1 0 238.213 0.335 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(c2ccc(C#N)c(N)n2)C1 ZINC000594574971 348074322 /nfs/dbraw/zinc/07/43/22/348074322.db2.gz MOCIHIAXIHWGEY-JTQLQIEISA-N 1 0 245.330 0.923 20 30 BCEDRO COC(=O)CCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594427940 348043858 /nfs/dbraw/zinc/04/38/58/348043858.db2.gz JVEIVQQYFWMYPR-SECBINFHSA-N 1 0 241.291 0.077 20 30 BCEDRO COC[C@H](C)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594430703 348045576 /nfs/dbraw/zinc/04/55/76/348045576.db2.gz BEFKOSRDDLKUHE-GHMZBOCLSA-N 1 0 241.335 0.796 20 30 BCEDRO C[C@H]1CN(C(=O)[C@@H]([NH3+])CCCCC#N)CCO1 ZINC000594430217 348045674 /nfs/dbraw/zinc/04/56/74/348045674.db2.gz XBNCRNDGNDPPKW-QWRGUYRKSA-N 1 0 239.319 0.645 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)NCC(F)F ZINC000594434704 348046516 /nfs/dbraw/zinc/04/65/16/348046516.db2.gz RRWTYJSRMMSUNQ-ZETCQYMHSA-N 1 0 219.235 0.779 20 30 BCEDRO CCC[C@H](O)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594434730 348046722 /nfs/dbraw/zinc/04/67/22/348046722.db2.gz SEPWYCQJGOIVPQ-QWRGUYRKSA-N 1 0 241.335 0.675 20 30 BCEDRO N#CCCCCC(=O)N[C@H]1CCC[NH2+]C1 ZINC000594424478 348051141 /nfs/dbraw/zinc/05/11/41/348051141.db2.gz FDGQVFSFMFROPA-JTQLQIEISA-N 1 0 209.293 0.939 20 30 BCEDRO COC[C@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594425078 348051246 /nfs/dbraw/zinc/05/12/46/348051246.db2.gz JPTPZLHVADOQQV-VHSXEESVSA-N 1 0 227.308 0.549 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCOCC1 ZINC000594424333 348051482 /nfs/dbraw/zinc/05/14/82/348051482.db2.gz ATOGZGHOVDVGCX-SNVBAGLBSA-N 1 0 225.292 0.256 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCCC#N)CO1 ZINC000594449781 348057565 /nfs/dbraw/zinc/05/75/65/348057565.db2.gz NUFNEDMLYUIJET-OUAUKWLOSA-N 1 0 239.319 0.691 20 30 BCEDRO Cc1ccn(C[C@@H]2C[NH2+]CCO2)c(=O)c1C#N ZINC000594695708 348100888 /nfs/dbraw/zinc/10/08/88/348100888.db2.gz IJSNMKHLSJZWAL-JTQLQIEISA-N 1 0 233.271 0.017 20 30 BCEDRO Cc1cc(C#N)c(=O)n(C[C@@H]2C[NH2+]CCO2)c1 ZINC000594696921 348101103 /nfs/dbraw/zinc/10/11/03/348101103.db2.gz SWVNRQMDFCUWBZ-NSHDSACASA-N 1 0 233.271 0.017 20 30 BCEDRO N#Cc1cc(N2CC3CC2(C[NH3+])C3)ncn1 ZINC000594697955 348101257 /nfs/dbraw/zinc/10/12/57/348101257.db2.gz BURUVOTUZSCFDY-UHFFFAOYSA-N 1 0 215.260 0.276 20 30 BCEDRO N#CCC1C[NH+](C[C@@H](O)Cn2cccn2)C1 ZINC000594715938 348105443 /nfs/dbraw/zinc/10/54/43/348105443.db2.gz DRUSEKSNYNJDTN-LLVKDONJSA-N 1 0 220.276 0.089 20 30 BCEDRO N#CCC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000368924251 348084817 /nfs/dbraw/zinc/08/48/17/348084817.db2.gz JFWKNAQSMOTYOW-TUAOUCFPSA-N 1 0 233.315 0.843 20 30 BCEDRO CC[C@H]([NH3+])c1cn(CCn2cc(C#N)cn2)nn1 ZINC000594645131 348086279 /nfs/dbraw/zinc/08/62/79/348086279.db2.gz KMFLTIOKLMDWIQ-JTQLQIEISA-N 1 0 245.290 0.456 20 30 BCEDRO C[NH+]1CCN(Cc2cn(CCCC#N)nn2)CC1 ZINC000594650067 348088973 /nfs/dbraw/zinc/08/89/73/348088973.db2.gz PWOJUXXRAIKDHN-UHFFFAOYSA-N 1 0 248.334 0.329 20 30 BCEDRO N#Cc1cncc(-c2cn([C@@H]3CC[NH2+]C3)nn2)c1 ZINC000594656431 348092425 /nfs/dbraw/zinc/09/24/25/348092425.db2.gz UTNSKGLNMHEICR-LLVKDONJSA-N 1 0 240.270 0.746 20 30 BCEDRO N#CC1(c2ccc(C[NH2+]C[C@@H](O)CO)cc2)CC1 ZINC000594938585 348142399 /nfs/dbraw/zinc/14/23/99/348142399.db2.gz MVWWNJQBIRLZHS-CYBMUJFWSA-N 1 0 246.310 0.685 20 30 BCEDRO C=CCCSCCNC(=O)CC[NH3+] ZINC000595257084 348204574 /nfs/dbraw/zinc/20/45/74/348204574.db2.gz POBVYHJXDOVTFB-UHFFFAOYSA-N 1 0 202.323 0.761 20 30 BCEDRO C=CCCSCCNC(=O)[C@H](C)[NH3+] ZINC000595257259 348204759 /nfs/dbraw/zinc/20/47/59/348204759.db2.gz RWPGZTBHZIIAME-QMMMGPOBSA-N 1 0 202.323 0.759 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)NCc1cccc(C#N)c1 ZINC000595266416 348206347 /nfs/dbraw/zinc/20/63/47/348206347.db2.gz RAEIEDYDMCRGHK-SNVBAGLBSA-N 1 0 246.314 0.965 20 30 BCEDRO CN(CC(C)(C)[NH3+])C(=O)NCC1(C#N)CC1 ZINC000595262864 348206869 /nfs/dbraw/zinc/20/68/69/348206869.db2.gz NJFRHDNVJOCGFF-UHFFFAOYSA-N 1 0 224.308 0.669 20 30 BCEDRO N#CC1(CNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000595262368 348207071 /nfs/dbraw/zinc/20/70/71/348207071.db2.gz FNVDJZQJZCUZJO-UHFFFAOYSA-N 1 0 234.303 0.341 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)NCC1(CC#N)CC1 ZINC000595262322 348207164 /nfs/dbraw/zinc/20/71/64/348207164.db2.gz BJDKNICDCRJODZ-VIFPVBQESA-N 1 0 224.308 0.587 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)NCCc1ccc(C#N)cc1 ZINC000595265626 348207641 /nfs/dbraw/zinc/20/76/41/348207641.db2.gz RUQFPQAWVSDRMA-SNVBAGLBSA-N 1 0 246.314 0.747 20 30 BCEDRO CO[C@@]1(CO)CCC[N@H+](CCOCCC#N)C1 ZINC000401857747 348208569 /nfs/dbraw/zinc/20/85/69/348208569.db2.gz GVBDXNALMIAWKA-LBPRGKRZSA-N 1 0 242.319 0.390 20 30 BCEDRO C=CCCSCCNC(=O)NCCC[NH3+] ZINC000595267512 348209670 /nfs/dbraw/zinc/20/96/70/348209670.db2.gz MTQACTNSTPCUCW-UHFFFAOYSA-N 1 0 231.365 0.944 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NCCC[NH3+])C1 ZINC000595269011 348209690 /nfs/dbraw/zinc/20/96/90/348209690.db2.gz YEPGBTIEQNQFMQ-SNVBAGLBSA-N 1 0 210.281 0.280 20 30 BCEDRO CC[NH2+]CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595269020 348209801 /nfs/dbraw/zinc/20/98/01/348209801.db2.gz YMETWKIOGWGNHO-LLVKDONJSA-N 1 0 224.308 0.541 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NC/C=C\C[NH3+])C1 ZINC000595273242 348210311 /nfs/dbraw/zinc/21/03/11/348210311.db2.gz JLQLEZIXGPTCII-QUCGXOGASA-N 1 0 222.292 0.446 20 30 BCEDRO C[C@@H](NC(=O)N1CC[C@@](C)(C#N)C1)[C@H](C)[NH3+] ZINC000595274095 348210470 /nfs/dbraw/zinc/21/04/70/348210470.db2.gz QKVLMWQEMMJXEZ-NGZCFLSTSA-N 1 0 224.308 0.667 20 30 BCEDRO C[C@H](C#N)C[N@H+](C[C@H]1CNC(=O)C1)C1CC1 ZINC000595390023 348243181 /nfs/dbraw/zinc/24/31/81/348243181.db2.gz SLORVCBXWFHFSE-NXEZZACHSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@]1(C#N)CCC[N@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000595423656 348246327 /nfs/dbraw/zinc/24/63/27/348246327.db2.gz GCWUALNKWKYHBA-JQWIXIFHSA-N 1 0 221.304 0.748 20 30 BCEDRO C[N@H+](CCCC#N)[C@@H]1CCN2CCO[C@H]1C2 ZINC000595507755 348264906 /nfs/dbraw/zinc/26/49/06/348264906.db2.gz QGFQIAWVVWMKOF-NEPJUHHUSA-N 1 0 223.320 0.695 20 30 BCEDRO N#Cc1ccc(CC[N@H+]2CCOC[C@H](O)C2)cc1 ZINC000595526738 348271497 /nfs/dbraw/zinc/27/14/97/348271497.db2.gz PHSDBYIPUNNTEJ-CQSZACIVSA-N 1 0 246.310 0.794 20 30 BCEDRO N#Cc1ccc(CC[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000595538729 348276932 /nfs/dbraw/zinc/27/69/32/348276932.db2.gz JQTKBCRNYYFLLF-KGLIPLIRSA-N 1 0 246.310 0.386 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H](C)N(C)C[C@@H]1C ZINC000334299558 166291594 /nfs/dbraw/zinc/29/15/94/166291594.db2.gz RCTBNMAMUDXTSX-MNOVXSKESA-N 1 0 246.376 0.917 20 30 BCEDRO N#CC[C@]1(O)CC[N@@H+]([C@@H]2CCCC[C@H]2O)C1 ZINC000595562357 348281145 /nfs/dbraw/zinc/28/11/45/348281145.db2.gz IUYXMIXKUFBZON-UTUOFQBUSA-N 1 0 224.304 0.640 20 30 BCEDRO CC1(C(N)=O)C[NH+](CCc2ccc(C#N)cc2)C1 ZINC000595562933 348282238 /nfs/dbraw/zinc/28/22/38/348282238.db2.gz NVUJLILLXUCFEW-UHFFFAOYSA-N 1 0 243.310 0.908 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1c[nH]c2nccnc12 ZINC000291704291 348283144 /nfs/dbraw/zinc/28/31/44/348283144.db2.gz ZIHJCZPSBDEVQA-VIFPVBQESA-N 1 0 218.260 0.594 20 30 BCEDRO CN(C)C(=O)CN(C)[C@@H]1CCC[C@@H]1C#N ZINC000037270699 348296466 /nfs/dbraw/zinc/29/64/66/348296466.db2.gz BWEUTVNDYFTQKC-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO CC(C)([NH2+]CC(N)=O)c1cccc(C#N)c1 ZINC000595635451 348302728 /nfs/dbraw/zinc/30/27/28/348302728.db2.gz KZLYUCXXIVMXOV-UHFFFAOYSA-N 1 0 217.272 0.868 20 30 BCEDRO C=CC[N@H+](C[C@](C)(O)C(=O)OC)[C@H](C)COC ZINC000595639831 348303657 /nfs/dbraw/zinc/30/36/57/348303657.db2.gz XGCJNRDMTLFMKI-PWSUYJOCSA-N 1 0 245.319 0.433 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1=COCCC1 ZINC000294085360 323183179 /nfs/dbraw/zinc/18/31/79/323183179.db2.gz XEAQLLOGQIVSKQ-UHFFFAOYSA-N 1 0 236.315 0.752 20 30 BCEDRO C[C@H]1C[NH+](CCOCCC#N)C[C@H](C)C1O ZINC000595734029 348318389 /nfs/dbraw/zinc/31/83/89/348318389.db2.gz SYKLIBBSHLWZRO-QWRGUYRKSA-N 1 0 226.320 0.865 20 30 BCEDRO C[C@]12COC[C@H]1C[N@H+](CCOCCC#N)C2 ZINC000595760582 348332802 /nfs/dbraw/zinc/33/28/02/348332802.db2.gz UEFSUAGBMDNVTK-NEPJUHHUSA-N 1 0 224.304 0.885 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH2+][C@@H](CC)C1CC1 ZINC000595765759 348334056 /nfs/dbraw/zinc/33/40/56/348334056.db2.gz NUDFRMYSYHAJPJ-JTQLQIEISA-N 1 0 239.319 0.776 20 30 BCEDRO C[C@@H](CCC#N)[N@H+]1CCC(=O)N(C)CC1 ZINC000595771702 348336551 /nfs/dbraw/zinc/33/65/51/348336551.db2.gz DNZNOAWXKIRCNW-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000275128770 166297529 /nfs/dbraw/zinc/29/75/29/166297529.db2.gz BLTOSZVNAXZSKH-NEPJUHHUSA-N 1 0 239.319 0.370 20 30 BCEDRO C[C@@]1(C#N)CC[N@H+](CCCN2CCOCC2)C1 ZINC000595837115 348370752 /nfs/dbraw/zinc/37/07/52/348370752.db2.gz DJULOAPAPWZTBS-ZDUSSCGKSA-N 1 0 237.347 0.944 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CC[C@](C)(C#N)C1 ZINC000595840408 348374348 /nfs/dbraw/zinc/37/43/48/348374348.db2.gz AXPWHTFKBRMPMX-NWDGAFQWSA-N 1 0 225.336 0.535 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN1CC[C@](C)(C#N)C1 ZINC000595840410 348374430 /nfs/dbraw/zinc/37/44/30/348374430.db2.gz AXPWHTFKBRMPMX-VXGBXAGGSA-N 1 0 225.336 0.535 20 30 BCEDRO C[N@H+](C[C@@H](O)CN1CC[C@](C)(C#N)C1)C1CC1 ZINC000595841323 348376330 /nfs/dbraw/zinc/37/63/30/348376330.db2.gz KGEAKGAUSACMOT-CHWSQXEVSA-N 1 0 237.347 0.677 20 30 BCEDRO C[C@]1(C#N)CC[N@H+](C[C@]2(O)CCCOC2)C1 ZINC000595842129 348376881 /nfs/dbraw/zinc/37/68/81/348376881.db2.gz PREDTKOAGIFYJP-VXGBXAGGSA-N 1 0 224.304 0.763 20 30 BCEDRO N#CC1(CN2CCC([N@@H+]3CC[C@@H](O)C3)CC2)CC1 ZINC000595862838 348382710 /nfs/dbraw/zinc/38/27/10/348382710.db2.gz HQNAMAUCYXRNOJ-CYBMUJFWSA-N 1 0 249.358 0.821 20 30 BCEDRO C[C@H]1C[N@H+](CCOCCC#N)C[C@]1(C)CO ZINC000595861623 348382866 /nfs/dbraw/zinc/38/28/66/348382866.db2.gz XHKDUBYRQMHCSC-NWDGAFQWSA-N 1 0 226.320 0.867 20 30 BCEDRO N#CCCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000595868575 348385179 /nfs/dbraw/zinc/38/51/79/348385179.db2.gz QKGIYTYEKSPPHZ-GFCCVEGCSA-N 1 0 223.320 0.431 20 30 BCEDRO N#Cc1nccc(N[C@@H]2CC[N@@H+]3CCCC[C@@H]23)n1 ZINC000385939714 362912940 /nfs/dbraw/zinc/91/29/40/362912940.db2.gz LXHZDKFOVWQGQP-MNOVXSKESA-N 1 0 243.314 0.809 20 30 BCEDRO COCC#CC[N@H+](C)[C@H]1C[C@@H](C(=O)OC)C1 ZINC000595849418 348356311 /nfs/dbraw/zinc/35/63/11/348356311.db2.gz KUIVADASATUOLR-PHIMTYICSA-N 1 0 225.288 0.520 20 30 BCEDRO CCN(C[C@H](O)C[N@H+](C)CCOC)[C@H](C)C#N ZINC000595819639 348360012 /nfs/dbraw/zinc/36/00/12/348360012.db2.gz DIVKSOXDRUQJMF-VXGBXAGGSA-N 1 0 243.351 0.159 20 30 BCEDRO CCN(C[C@@H](O)C[N@H+](C)CCOC)[C@H](C)C#N ZINC000595819630 348360252 /nfs/dbraw/zinc/36/02/52/348360252.db2.gz DIVKSOXDRUQJMF-NEPJUHHUSA-N 1 0 243.351 0.159 20 30 BCEDRO CCN(C[C@@H](O)C[N@H+](C)CC)[C@H](C)C#N ZINC000595820715 348362333 /nfs/dbraw/zinc/36/23/33/348362333.db2.gz PBRLYQVSPWDSBW-MNOVXSKESA-N 1 0 213.325 0.533 20 30 BCEDRO CN(C)C(=O)N(C)[C@H]1CC[N@H+](CCCC#N)C1 ZINC000595822999 348364294 /nfs/dbraw/zinc/36/42/94/348364294.db2.gz BYPNZLFHLVAUFA-NSHDSACASA-N 1 0 238.335 0.978 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)CCCC1 ZINC000595989736 348420757 /nfs/dbraw/zinc/42/07/57/348420757.db2.gz MHJSFGQAPYOSJZ-NXEZZACHSA-N 1 0 239.294 0.968 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000595979501 348414244 /nfs/dbraw/zinc/41/42/44/348414244.db2.gz ATIUIBFDOVDXSG-GFCCVEGCSA-N 1 0 221.304 0.748 20 30 BCEDRO CO[C@H](C[NH3+])CC(=O)N1CC[C@](C)(C#N)C1 ZINC000595980382 348415264 /nfs/dbraw/zinc/41/52/64/348415264.db2.gz HDXKZZLZGRPBHU-GXSJLCMTSA-N 1 0 225.292 0.112 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)CC2(C[NH3+])CC2)C1 ZINC000595980758 348415998 /nfs/dbraw/zinc/41/59/98/348415998.db2.gz KAWNDHWUCLNPDO-NSHDSACASA-N 1 0 221.304 0.878 20 30 BCEDRO CSCC[C@@H]([NH3+])C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595981869 348416946 /nfs/dbraw/zinc/41/69/46/348416946.db2.gz QYPNXBVUBWBZGJ-KOLCDFICSA-N 1 0 241.360 0.829 20 30 BCEDRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595982727 348417538 /nfs/dbraw/zinc/41/75/38/348417538.db2.gz WYDHWFFLYNOLHN-ONGXEEELSA-N 1 0 209.293 0.732 20 30 BCEDRO CC(C)[C@H]([NH3+])C(=O)N1CC[C@](C)(C#N)C1 ZINC000595982724 348417736 /nfs/dbraw/zinc/41/77/36/348417736.db2.gz WYDHWFFLYNOLHN-GXSJLCMTSA-N 1 0 209.293 0.732 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@@H]2C[C@H]3C[C@H]3[NH2+]2)C1 ZINC000595982435 348417819 /nfs/dbraw/zinc/41/78/19/348417819.db2.gz VFAITXYLIQCYTG-SVDPJWKOSA-N 1 0 219.288 0.499 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)CCOC2C[NH2+]C2)C1 ZINC000595983176 348418405 /nfs/dbraw/zinc/41/84/05/348418405.db2.gz ZEVZGRWQEVEFMB-LBPRGKRZSA-N 1 0 237.303 0.127 20 30 BCEDRO C=CC[C@@]1(C(=O)N[C@@H](C)C(=O)OC)CCC[NH2+]1 ZINC000595930038 348392565 /nfs/dbraw/zinc/39/25/65/348392565.db2.gz MMRAJSJKXLFIBX-CABZTGNLSA-N 1 0 240.303 0.362 20 30 BCEDRO C[NH2+]C[C@@](C)(O)CN1CC[C@](C)(C#N)C1 ZINC000595904658 348396020 /nfs/dbraw/zinc/39/60/20/348396020.db2.gz KCDYXPLYNVAAMY-GHMZBOCLSA-N 1 0 211.309 0.192 20 30 BCEDRO C[NH+](C)CCC[C@H]1CN(CCC#N)CCO1 ZINC000595904760 348396117 /nfs/dbraw/zinc/39/61/17/348396117.db2.gz KNZLSHYOHXETAH-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CC[C@]1(C(=O)NCC(=O)OCC)CCC[NH2+]1 ZINC000595924461 348402352 /nfs/dbraw/zinc/40/23/52/348402352.db2.gz JZLZEXUYROONGN-GFCCVEGCSA-N 1 0 240.303 0.364 20 30 BCEDRO C[C@@H](C[NH3+])N(C)C(=O)CC1(C#N)CCOCC1 ZINC000595924226 348402580 /nfs/dbraw/zinc/40/25/80/348402580.db2.gz ITFOAUMXQZJUQE-JTQLQIEISA-N 1 0 239.319 0.502 20 30 BCEDRO CN(c1ccc(C#N)c(N)n1)[C@@H](C[NH3+])C1CC1 ZINC000596012899 348429488 /nfs/dbraw/zinc/42/94/88/348429488.db2.gz CEBHTDPHJVMAGX-JTQLQIEISA-N 1 0 231.303 0.709 20 30 BCEDRO C[C@]1(F)C[NH2+]CCN(c2ncncc2C#N)C1 ZINC000596014411 348429933 /nfs/dbraw/zinc/42/99/33/348429933.db2.gz PFVJIEFGDQXKIN-NSHDSACASA-N 1 0 235.266 0.486 20 30 BCEDRO N#Cc1cncnc1N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000596013284 348430108 /nfs/dbraw/zinc/43/01/08/348430108.db2.gz HUMPVZMVYUIEQW-GXSJLCMTSA-N 1 0 229.287 0.536 20 30 BCEDRO CCC[NH+]1CCN(c2c(C#N)cnn2C)CC1 ZINC000596054119 348434192 /nfs/dbraw/zinc/43/41/92/348434192.db2.gz MCUYEOMFSYJGEU-UHFFFAOYSA-N 1 0 233.319 0.824 20 30 BCEDRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@H](C#N)CCC#N)C1 ZINC000596067628 348436871 /nfs/dbraw/zinc/43/68/71/348436871.db2.gz OQNBFBGBBCQZDY-DCAQKATOSA-N 1 0 235.287 0.971 20 30 BCEDRO C[C@@H]1[C@@H](C)[C@H](C)C[N@@H+]1CC(=O)NCC#N ZINC000419378033 192132219 /nfs/dbraw/zinc/13/22/19/192132219.db2.gz VLKVQXYQNDZSHG-KXUCPTDWSA-N 1 0 209.293 0.602 20 30 BCEDRO N#Cc1ncn(Cc2cccc3c2CC[NH2+]C3)n1 ZINC000596071151 348437860 /nfs/dbraw/zinc/43/78/60/348437860.db2.gz XFWVESAZQPMDMJ-UHFFFAOYSA-N 1 0 239.282 0.844 20 30 BCEDRO N#Cc1cnc(N2CC[C@@H](F)[C@H]([NH3+])C2)c(F)c1 ZINC000596022998 348424044 /nfs/dbraw/zinc/42/40/44/348424044.db2.gz RJJXRNHTUVSDFA-PSASIEDQSA-N 1 0 238.241 0.968 20 30 BCEDRO N#Cc1cc(N2CC[C@@H](F)[C@H]([NH3+])C2)ncn1 ZINC000596031170 348426700 /nfs/dbraw/zinc/42/67/00/348426700.db2.gz AURRRYWNGWKLIN-RKDXNWHRSA-N 1 0 221.239 0.224 20 30 BCEDRO Cc1ccnc(N[C@@H](CO)C[NH+](C)C)c1C#N ZINC000596243346 348485356 /nfs/dbraw/zinc/48/53/56/348485356.db2.gz JYXFMSIYPXMZLL-SNVBAGLBSA-N 1 0 234.303 0.596 20 30 BCEDRO N#Cc1cnnc(N2CC[C@@H]([NH+]3CC=CC3)C2)c1 ZINC000596143126 348450153 /nfs/dbraw/zinc/45/01/53/348450153.db2.gz YHANQGBOIFMFFL-GFCCVEGCSA-N 1 0 241.298 0.799 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)c1c[nH]c(C#N)c1 ZINC000596463893 348543859 /nfs/dbraw/zinc/54/38/59/348543859.db2.gz ATZJXUCNZIEQBK-UHFFFAOYSA-N 1 0 232.287 0.520 20 30 BCEDRO C#CCSCCNC(=O)C1CC[NH+](C)CC1 ZINC000266882899 187398499 /nfs/dbraw/zinc/39/84/99/187398499.db2.gz KCLZHFXBZSLBPZ-UHFFFAOYSA-N 1 0 240.372 0.811 20 30 BCEDRO C=CCCCCCN(C)C(=O)C(=O)NCC[NH3+] ZINC000419832528 192146732 /nfs/dbraw/zinc/14/67/32/192146732.db2.gz JZTOHHSTGWDOKV-UHFFFAOYSA-N 1 0 241.335 0.266 20 30 BCEDRO C[C@H](CCNC(=O)c1cc(C#N)cn1C)[NH+](C)C ZINC000596453463 348551605 /nfs/dbraw/zinc/55/16/05/348551605.db2.gz KHXGZLOAPOVNLJ-SNVBAGLBSA-N 1 0 248.330 0.967 20 30 BCEDRO C=C(C)CN(C)C(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000420006301 192152481 /nfs/dbraw/zinc/15/24/81/192152481.db2.gz YVUIEPBDEJXJQB-SNVBAGLBSA-N 1 0 241.335 0.120 20 30 BCEDRO C=CCN(C)C(=O)C(=O)N[C@@H](C[NH3+])CCCC ZINC000420143710 192162243 /nfs/dbraw/zinc/16/22/43/192162243.db2.gz KHJQSXDAOKXBMB-SNVBAGLBSA-N 1 0 241.335 0.265 20 30 BCEDRO CS(=O)(=O)CCC[NH2+][C@H]1CCC[C@H]1C#N ZINC000054825924 348665440 /nfs/dbraw/zinc/66/54/40/348665440.db2.gz MVNPBILSMASSJT-UWVGGRQHSA-N 1 0 230.333 0.703 20 30 BCEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000420035928 192158151 /nfs/dbraw/zinc/15/81/51/192158151.db2.gz ZJAJXLKOJKCCPJ-VHSXEESVSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@H](C[NH+](C)C)C1 ZINC000114480379 323194274 /nfs/dbraw/zinc/19/42/74/323194274.db2.gz LJVJBSWKBWTVMR-NWDGAFQWSA-N 1 0 237.347 0.008 20 30 BCEDRO C[C@@]1(NC(=O)NCCCC#N)CC[NH2+]C1 ZINC000597432202 348735303 /nfs/dbraw/zinc/73/53/03/348735303.db2.gz KSFREFQHYBRWJC-SNVBAGLBSA-N 1 0 210.281 0.341 20 30 BCEDRO C=CCC[NH2+]C1CCN(CC(=O)OC)CC1 ZINC000597183455 348682146 /nfs/dbraw/zinc/68/21/46/348682146.db2.gz ILFNYTPCTPHECK-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO CNC(=O)C[N@H+](C)CC(C)(C)CCC#N ZINC000597250696 348708143 /nfs/dbraw/zinc/70/81/43/348708143.db2.gz YFWKVTQECJGFQC-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO C[NH+](C)C[C@H](CO)NC(=O)CCCCC#N ZINC000597655546 348776396 /nfs/dbraw/zinc/77/63/96/348776396.db2.gz YJGHYJIVUZVLFX-SNVBAGLBSA-N 1 0 227.308 0.109 20 30 BCEDRO C[C@H](CC#N)C(=O)NC[C@H](C)C[NH+](C)C ZINC000597683765 348779345 /nfs/dbraw/zinc/77/93/45/348779345.db2.gz HHMHIASZUOOHLV-VHSXEESVSA-N 1 0 211.309 0.850 20 30 BCEDRO C[NH+](C)C1(C(=O)NCC(C)(C)C#N)CC1 ZINC000597490255 348749971 /nfs/dbraw/zinc/74/99/71/348749971.db2.gz VAAPIBPBVOHCGZ-UHFFFAOYSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000597573732 348762315 /nfs/dbraw/zinc/76/23/15/348762315.db2.gz HXZVCCLQUBHREO-PWSUYJOCSA-N 1 0 239.319 0.061 20 30 BCEDRO COCC#CC[N@H+](C)C[C@H](C)C(=O)OC ZINC000611140423 490197261 /nfs/dbraw/zinc/19/72/61/490197261.db2.gz HIHGHWTZMBXEFC-JTQLQIEISA-N 1 0 213.277 0.377 20 30 BCEDRO CC[C@H](C(=O)N[C@@H](C#N)CO)[NH+](CC)CC ZINC000597747773 348812585 /nfs/dbraw/zinc/81/25/85/348812585.db2.gz SMVGEMFIMDVMHA-VHSXEESVSA-N 1 0 227.308 0.107 20 30 BCEDRO C[C@@H](CC#N)C(=O)NCC[C@H](C)[NH+](C)C ZINC000597992437 348851983 /nfs/dbraw/zinc/85/19/83/348851983.db2.gz LEYSTJBZWNQACQ-UWVGGRQHSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H](CCNC(=O)c1ccc(C#N)[nH]1)[NH+](C)C ZINC000597993391 348852769 /nfs/dbraw/zinc/85/27/69/348852769.db2.gz SRMFLPQDCLZGLP-VIFPVBQESA-N 1 0 234.303 0.956 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N2CC(CC#N)C2)CC[N@@H+]1C ZINC000598025989 348864655 /nfs/dbraw/zinc/86/46/55/348864655.db2.gz RVFHRNXFXOUQNC-MWLCHTKSSA-N 1 0 221.304 0.699 20 30 BCEDRO C[C@@H](C#N)N(C(=O)[C@@H]1CC[N@H+](C)C1)C1CC1 ZINC000598127587 348893593 /nfs/dbraw/zinc/89/35/93/348893593.db2.gz CHPQHRWNXRTBHO-VHSXEESVSA-N 1 0 221.304 0.841 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)C(C)(C)C#N ZINC000598163310 348897316 /nfs/dbraw/zinc/89/73/16/348897316.db2.gz NBXHDAWUDRKQGP-UHFFFAOYSA-N 1 0 209.293 0.556 20 30 BCEDRO C=CCCCCCN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000213753181 348906914 /nfs/dbraw/zinc/90/69/14/348906914.db2.gz JWHIMYIKRZZDMP-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO C[N@H+](CCC(N)=O)C[C@H](O)CC(C)(C)C#N ZINC000598618404 349001888 /nfs/dbraw/zinc/00/18/88/349001888.db2.gz XUZRBOACYFTHCD-SECBINFHSA-N 1 0 227.308 0.094 20 30 BCEDRO CC(C)[C@@H]1CN(C(=O)[C@@H](C)C#N)CC[NH2+]1 ZINC000598572020 348993230 /nfs/dbraw/zinc/99/32/30/348993230.db2.gz KALQNZUDCIDFKM-UWVGGRQHSA-N 1 0 209.293 0.602 20 30 BCEDRO CC(C)[C@@H]1CN(C(=O)C(C)(C)C#N)CC[NH2+]1 ZINC000598572841 348993875 /nfs/dbraw/zinc/99/38/75/348993875.db2.gz LTTRYIVVLCSDDR-JTQLQIEISA-N 1 0 223.320 0.993 20 30 BCEDRO CCN1CC[NH+](C[C@@H](O)CC(C)(C)C#N)CC1 ZINC000598586178 348994969 /nfs/dbraw/zinc/99/49/69/348994969.db2.gz FAESQOOXGAJXLH-LBPRGKRZSA-N 1 0 239.363 0.925 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@H+](CCO)CC1CC1 ZINC000598587969 348995555 /nfs/dbraw/zinc/99/55/55/348995555.db2.gz YDLPSCJFKMMAJA-LBPRGKRZSA-N 1 0 240.347 0.991 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCn1cccn1 ZINC000598588367 348995856 /nfs/dbraw/zinc/99/58/56/348995856.db2.gz KDBKCYXWYHGZLS-LLVKDONJSA-N 1 0 236.319 0.773 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H](O)C1 ZINC000598586977 348995960 /nfs/dbraw/zinc/99/59/60/348995960.db2.gz MKMQXVPKKXTKJY-GHMZBOCLSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@H](O)C[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598592517 348998414 /nfs/dbraw/zinc/99/84/14/348998414.db2.gz LMARLTLPFPCDHS-UWVGGRQHSA-N 1 0 214.309 0.600 20 30 BCEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)[C@@H]1CCNC1=O ZINC000598598196 348999561 /nfs/dbraw/zinc/99/95/61/348999561.db2.gz BLAFRXGSKQDEDO-NXEZZACHSA-N 1 0 239.319 0.107 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1C[C@@H](O)C(C)(C)C1 ZINC000598615079 349000537 /nfs/dbraw/zinc/00/05/37/349000537.db2.gz SOHPQMVMYKDOCW-GHMZBOCLSA-N 1 0 240.347 0.990 20 30 BCEDRO CC(C)[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598604299 349006828 /nfs/dbraw/zinc/00/68/28/349006828.db2.gz QHIPQRICTPYNFM-WDEREUQCSA-N 1 0 228.336 0.894 20 30 BCEDRO C[C@H]1CC[N@H+](CCOCCC#N)C[C@@H]1CO ZINC000598645499 349009194 /nfs/dbraw/zinc/00/91/94/349009194.db2.gz FMSWOVHZDRPGPU-NWDGAFQWSA-N 1 0 226.320 0.867 20 30 BCEDRO CN(C)C(=O)CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598716127 349025876 /nfs/dbraw/zinc/02/58/76/349025876.db2.gz XUFPXNOXOAJNJP-JTQLQIEISA-N 1 0 241.335 0.355 20 30 BCEDRO CN(CC[NH2+]C[C@@H](O)CC(C)(C)C#N)C1CC1 ZINC000598721555 349028313 /nfs/dbraw/zinc/02/83/13/349028313.db2.gz XEXHPPCMXREPCD-LBPRGKRZSA-N 1 0 239.363 0.971 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC000598723434 349028617 /nfs/dbraw/zinc/02/86/17/349028617.db2.gz HSXIOKNCYHWUBU-UKKRHICBSA-N 1 0 224.304 0.522 20 30 BCEDRO CNC(=O)C[C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598727372 349029821 /nfs/dbraw/zinc/02/98/21/349029821.db2.gz HHUHHHFCEUXZAC-ZJUUUORDSA-N 1 0 241.335 0.401 20 30 BCEDRO C[C@@H](CCO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730434 349032465 /nfs/dbraw/zinc/03/24/65/349032465.db2.gz VIQJKIYLBBIZPD-UWVGGRQHSA-N 1 0 214.309 0.648 20 30 BCEDRO CCOCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598700000 349033243 /nfs/dbraw/zinc/03/32/43/349033243.db2.gz KFKYVCVZUVHDIM-JTQLQIEISA-N 1 0 214.309 0.913 20 30 BCEDRO CCN(CC[NH3+])S(=O)(=O)c1ccc(C#N)o1 ZINC000599098515 349093610 /nfs/dbraw/zinc/09/36/10/349093610.db2.gz LIRXEQUBPRWDGH-UHFFFAOYSA-N 1 0 243.288 0.121 20 30 BCEDRO C[NH+](C)CCNC(=O)Cc1ccc(C#N)nc1 ZINC000598957422 349066589 /nfs/dbraw/zinc/06/65/89/349066589.db2.gz RSBAVTVBXWHOLB-UHFFFAOYSA-N 1 0 232.287 0.174 20 30 BCEDRO CN(Cc1cc[nH]n1)C[C@H](O)CC1(C#N)CC1 ZINC000599293576 349149193 /nfs/dbraw/zinc/14/91/93/349149193.db2.gz ZZAACDPPPHVXGM-LLVKDONJSA-N 1 0 234.303 0.896 20 30 BCEDRO Cc1ccc(C#N)c(NCC[N@@H+]2CC[C@H](O)C2)n1 ZINC000599199602 349116540 /nfs/dbraw/zinc/11/65/40/349116540.db2.gz MUZISZAYLRYOEA-LBPRGKRZSA-N 1 0 246.314 0.740 20 30 BCEDRO C[N@@H+]1C[C@H](C(=O)NCC#N)[C@@H](c2ccccc2)C1 ZINC000599232938 349128582 /nfs/dbraw/zinc/12/85/82/349128582.db2.gz KIIMSIBLDFDTFT-OLZOCXBDSA-N 1 0 243.310 0.972 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000599437565 349176891 /nfs/dbraw/zinc/17/68/91/349176891.db2.gz OVQOWVDQKGJGFN-WDEREUQCSA-N 1 0 226.320 0.934 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCc1cn(C)nn1 ZINC000599438792 349177597 /nfs/dbraw/zinc/17/75/97/349177597.db2.gz XSLMFKSAVVDLKY-SECBINFHSA-N 1 0 207.281 0.639 20 30 BCEDRO COC[C@](C)(O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000308944623 349178537 /nfs/dbraw/zinc/17/85/37/349178537.db2.gz NFUKTMIRMNTPOV-GARJFASQSA-N 1 0 212.293 0.666 20 30 BCEDRO COC[C@](C)(O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308944626 349178608 /nfs/dbraw/zinc/17/86/08/349178608.db2.gz NFUKTMIRMNTPOV-HBNTYKKESA-N 1 0 212.293 0.666 20 30 BCEDRO Cc1ccc(C[NH2+]C2(C(N)=O)CC2)cc1C#N ZINC000599366402 349160658 /nfs/dbraw/zinc/16/06/58/349160658.db2.gz PNXBPQTXPIYKDQ-UHFFFAOYSA-N 1 0 229.283 0.974 20 30 BCEDRO COC[C@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599401050 349172405 /nfs/dbraw/zinc/17/24/05/349172405.db2.gz KCBQEPTZXPXEAY-UWVGGRQHSA-N 1 0 212.293 0.666 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599432712 349173148 /nfs/dbraw/zinc/17/31/48/349173148.db2.gz AONXCWNYRDVRSO-TUAOUCFPSA-N 1 0 236.315 0.974 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000599526949 349208325 /nfs/dbraw/zinc/20/83/25/349208325.db2.gz XXTXUCRSRAHVFP-SECBINFHSA-N 1 0 225.292 0.340 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](C[C@@](C)(O)C(=O)OC)C1 ZINC000599530384 349209385 /nfs/dbraw/zinc/20/93/85/349209385.db2.gz VUANZNZAQBHBIY-CMPLNLGQSA-N 1 0 227.304 0.808 20 30 BCEDRO Cc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1C#N ZINC000599531608 349210527 /nfs/dbraw/zinc/21/05/27/349210527.db2.gz GNEUNLCJWJLIDE-STQMWFEESA-N 1 0 232.283 0.404 20 30 BCEDRO COC(=O)[C@]1(OC)CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000599563535 349218630 /nfs/dbraw/zinc/21/86/30/349218630.db2.gz ILWWXKWXRBNRDS-PWSUYJOCSA-N 1 0 240.303 0.943 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH+](C1CC1)C1CC1 ZINC000599593649 349222629 /nfs/dbraw/zinc/22/26/29/349222629.db2.gz GJBGWQCBLKXCJJ-UHFFFAOYSA-N 1 0 237.303 0.625 20 30 BCEDRO C[N@H+](CC1(C#N)CC1)[C@H]1C[C@@H](C(N)=O)C1 ZINC000599643691 349239602 /nfs/dbraw/zinc/23/96/02/349239602.db2.gz DJGJDTACDGJUCF-DTORHVGOSA-N 1 0 207.277 0.486 20 30 BCEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1C[C@@H](O)C1 ZINC000599654288 349235276 /nfs/dbraw/zinc/23/52/76/349235276.db2.gz GFIJAXWXAVCRPP-GRYCIOLGSA-N 1 0 240.347 0.990 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CC(=O)NC(N)=O)C1 ZINC000599526637 349207428 /nfs/dbraw/zinc/20/74/28/349207428.db2.gz OKEOGRAVMKDYKU-QMMMGPOBSA-N 1 0 211.265 0.079 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000383675347 349295004 /nfs/dbraw/zinc/29/50/04/349295004.db2.gz PEUMCBAHSCMWOD-CYBMUJFWSA-N 1 0 242.363 0.624 20 30 BCEDRO C[C@@H]1CC[C@H](NC(=O)NCC(C)(C)C#N)C[NH2+]1 ZINC000599916406 349270493 /nfs/dbraw/zinc/27/04/93/349270493.db2.gz BAWYFOHBMPVKFN-ZJUUUORDSA-N 1 0 238.335 0.976 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1NC(=O)NCC(C)(C)C#N ZINC000599920001 349271540 /nfs/dbraw/zinc/27/15/40/349271540.db2.gz YFUGXQBKTNQBJG-VHSXEESVSA-N 1 0 238.335 0.976 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N(C)CC(C)(C)C#N ZINC000599940316 349273081 /nfs/dbraw/zinc/27/30/81/349273081.db2.gz KUTPGNYHPQLYNN-VHSXEESVSA-N 1 0 238.335 0.928 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)N[C@@H]1CC[NH2+]C1 ZINC000599940017 349273137 /nfs/dbraw/zinc/27/31/37/349273137.db2.gz GUBQILHBGFBODZ-DTWKUNHWSA-N 1 0 210.281 0.149 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CCCC#N)C[C@H]21 ZINC000599991236 349277515 /nfs/dbraw/zinc/27/75/15/349277515.db2.gz FZDMNKFFRXHWMI-IAZYJMLFSA-N 1 0 221.304 0.699 20 30 BCEDRO N#CCC1C[NH+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000601961387 349401625 /nfs/dbraw/zinc/40/16/25/349401625.db2.gz XANMSIURJHTZHG-LLVKDONJSA-N 1 0 219.288 0.887 20 30 BCEDRO N#CCC1C[NH+](C[C@@H](O)CC2(C#N)CC2)C1 ZINC000601961388 349401660 /nfs/dbraw/zinc/40/16/60/349401660.db2.gz XANMSIURJHTZHG-NSHDSACASA-N 1 0 219.288 0.887 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H]([NH3+])CC(F)F ZINC000309046329 349402367 /nfs/dbraw/zinc/40/23/67/349402367.db2.gz NJSXDMLKUFUMTN-RNFRBKRXSA-N 1 0 219.235 0.729 20 30 BCEDRO C[C@@](O)(C[C@@H](O)C[NH2+]CC1(C#N)CC1)C1CC1 ZINC000601967646 349404380 /nfs/dbraw/zinc/40/43/80/349404380.db2.gz VRQDTVLXQAQSEY-VXGBXAGGSA-N 1 0 238.331 0.792 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CC[C@@H](O)C(F)F)CC1 ZINC000601967451 349404719 /nfs/dbraw/zinc/40/47/19/349404719.db2.gz JKSHKINBQYEFPR-DTWKUNHWSA-N 1 0 248.273 0.647 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N(CCC#N)CCC#N)C1 ZINC000602077131 349428486 /nfs/dbraw/zinc/42/84/86/349428486.db2.gz BIGWFZKDRIOXDT-LBPRGKRZSA-N 1 0 248.330 0.984 20 30 BCEDRO COC[C@@H](O)C[NH2+]CC#Cc1ccccc1 ZINC000070590265 350026201 /nfs/dbraw/zinc/02/62/01/350026201.db2.gz VVGHVQIFVNDZBR-ZDUSSCGKSA-N 1 0 219.284 0.635 20 30 BCEDRO CC[C@H](CC#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000132070520 191024511 /nfs/dbraw/zinc/02/45/11/191024511.db2.gz TWBMOPMBPVIAPR-NXEZZACHSA-N 1 0 209.293 0.889 20 30 BCEDRO C=C(C)[C@H](CO)N1CC[NH+](CC2CC2)CC1 ZINC000677048299 490330787 /nfs/dbraw/zinc/33/07/87/490330787.db2.gz UTCQGBOXPPLWNS-ZDUSSCGKSA-N 1 0 224.348 0.951 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CCCOCC2)C1=O ZINC000334816503 538076808 /nfs/dbraw/zinc/07/68/08/538076808.db2.gz PXJYCEUKDYEJNW-NSHDSACASA-N 1 0 224.304 0.496 20 30 BCEDRO C=C1CCN(C(=O)[C@@H]2C[C@H](OC)C[N@H+]2C)CC1 ZINC000334809471 538076955 /nfs/dbraw/zinc/07/69/55/538076955.db2.gz DSTPCXPWHUAAKF-RYUDHWBXSA-N 1 0 238.331 0.884 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000367774899 350237466 /nfs/dbraw/zinc/23/74/66/350237466.db2.gz ASEXHSNSUHVYHG-YPMHNXCESA-N 1 0 235.331 0.745 20 30 BCEDRO C=C(C)CCNC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000637189247 350247189 /nfs/dbraw/zinc/24/71/89/350247189.db2.gz GTITVXOJRWNADK-NSHDSACASA-N 1 0 241.335 0.318 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CCC(C#N)CC1 ZINC000309288040 350255877 /nfs/dbraw/zinc/25/58/77/350255877.db2.gz VCRUOAGKUVSHMA-LBPRGKRZSA-N 1 0 225.336 0.535 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@]1(O)CCC[C@@H]1C ZINC000262265109 535124155 /nfs/dbraw/zinc/12/41/55/535124155.db2.gz RRQBXKTVQJFVMB-GXSJLCMTSA-N 1 0 213.325 0.850 20 30 BCEDRO N#Cc1cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)ncn1 ZINC000309316318 350305696 /nfs/dbraw/zinc/30/56/96/350305696.db2.gz PJGWOCSDHGQIPT-RKDXNWHRSA-N 1 0 215.260 0.004 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CCC[N@@H+](CC)CC1 ZINC000365505216 350319831 /nfs/dbraw/zinc/31/98/31/350319831.db2.gz BAPIVONNSBIEMH-GFCCVEGCSA-N 1 0 237.347 0.152 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@](C)(O)c1ccco1 ZINC000262468814 535123814 /nfs/dbraw/zinc/12/38/14/535123814.db2.gz YQRVVMJDKUUAMA-NSHDSACASA-N 1 0 225.292 0.800 20 30 BCEDRO C=CCN(CCS(=O)(=O)NC)C1CC1 ZINC000621272472 350323364 /nfs/dbraw/zinc/32/33/64/350323364.db2.gz SOBIUTDBRADOJH-UHFFFAOYSA-N 1 0 218.322 0.186 20 30 BCEDRO C#CCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@H]3[C@@H]2C1 ZINC000365547269 350343465 /nfs/dbraw/zinc/34/34/65/350343465.db2.gz NNFKGIUJDXYCFT-XQQFMLRXSA-N 1 0 247.342 0.745 20 30 BCEDRO C#CCNC(=O)N1C[C@@H]2C[N@@H+]3CCCC[C@@H]3[C@@H]2C1 ZINC000365547270 350343629 /nfs/dbraw/zinc/34/36/29/350343629.db2.gz NNFKGIUJDXYCFT-YNEHKIRRSA-N 1 0 247.342 0.745 20 30 BCEDRO C[C@H](CNc1ccc(C#N)nn1)C[NH+](C)C ZINC000309368072 350354171 /nfs/dbraw/zinc/35/41/71/350354171.db2.gz PXGBZQDHAWZEAJ-SECBINFHSA-N 1 0 219.292 0.958 20 30 BCEDRO C[C@@H](CNc1ccc(C#N)nn1)C[NH+](C)C ZINC000309368074 350354331 /nfs/dbraw/zinc/35/43/31/350354331.db2.gz PXGBZQDHAWZEAJ-VIFPVBQESA-N 1 0 219.292 0.958 20 30 BCEDRO C[C@@H]1C[C@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000040221873 350358893 /nfs/dbraw/zinc/35/88/93/350358893.db2.gz DZOCYAYMVYAYRZ-NXEZZACHSA-N 1 0 221.304 0.747 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1noc(C2CC2)n1 ZINC000261893891 535124436 /nfs/dbraw/zinc/12/44/36/535124436.db2.gz CRRPBXCFSXOVTF-UHFFFAOYSA-N 1 0 223.280 0.760 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000262470444 535124517 /nfs/dbraw/zinc/12/45/17/535124517.db2.gz GVMGRUMHOIMCPU-UHFFFAOYSA-N 1 0 224.264 0.191 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262571684 535124682 /nfs/dbraw/zinc/12/46/82/535124682.db2.gz ZDWOXNOYYFJFGZ-VIFPVBQESA-N 1 0 217.338 0.167 20 30 BCEDRO C=CC[C@H](C)NC(=O)C[C@H]1C[NH2+]CCO1 ZINC000158390955 191101100 /nfs/dbraw/zinc/10/11/00/191101100.db2.gz WMLPYRXGWNJYFH-UWVGGRQHSA-N 1 0 212.293 0.446 20 30 BCEDRO N#CCCC[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000336679280 350436010 /nfs/dbraw/zinc/43/60/10/350436010.db2.gz PBKZLBISXXVJJG-NSHDSACASA-N 1 0 221.304 0.987 20 30 BCEDRO CS[C@H]1CN(CCC#N)C[C@@H]1[NH+](C)C ZINC000336676804 350438126 /nfs/dbraw/zinc/43/81/26/350438126.db2.gz ZTUIPHZIKJHJBZ-UWVGGRQHSA-N 1 0 213.350 0.877 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000336645925 350415781 /nfs/dbraw/zinc/41/57/81/350415781.db2.gz JIULCQJXRSINGG-JTQLQIEISA-N 1 0 230.333 0.010 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000336645933 350416054 /nfs/dbraw/zinc/41/60/54/350416054.db2.gz JIULCQJXRSINGG-SNVBAGLBSA-N 1 0 230.333 0.010 20 30 BCEDRO C[N@H+](C[C@@H](O)CN(CC#N)C1CC1)C1CC1 ZINC000336654007 350420570 /nfs/dbraw/zinc/42/05/70/350420570.db2.gz JVHDDOFGGFQOGN-GFCCVEGCSA-N 1 0 223.320 0.429 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000336665988 350426636 /nfs/dbraw/zinc/42/66/36/350426636.db2.gz KNXZMUXKKFGBHO-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCCN(C)C(=O)NCC[NH2+]C1CC1 ZINC000637317485 350445858 /nfs/dbraw/zinc/44/58/58/350445858.db2.gz NEHQBTWVODHXJA-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO C[C@H](C#N)CN(C[C@@H](O)Cn1cccn1)C1CC1 ZINC000336702460 350458008 /nfs/dbraw/zinc/45/80/08/350458008.db2.gz GPOLBIKWDBQWMN-DGCLKSJQSA-N 1 0 248.330 0.868 20 30 BCEDRO C[C@H](C#N)CN(C[C@H](O)Cn1cccn1)C1CC1 ZINC000336702474 350458332 /nfs/dbraw/zinc/45/83/32/350458332.db2.gz GPOLBIKWDBQWMN-YPMHNXCESA-N 1 0 248.330 0.868 20 30 BCEDRO CN(CCCC(C)(C)C#N)Cc1nnnn1C ZINC000336706788 350459386 /nfs/dbraw/zinc/45/93/86/350459386.db2.gz OHRPSRVXUISMEA-UHFFFAOYSA-N 1 0 236.323 0.972 20 30 BCEDRO Cc1nn(C[C@@H](C)[NH+](C)C)c(=O)c(C#N)c1C ZINC000331069785 180390198 /nfs/dbraw/zinc/39/01/98/180390198.db2.gz BWQAADPCCJYLDV-MRVPVSSYSA-N 1 0 234.303 0.682 20 30 BCEDRO Cc1nn(C[C@H](O)C[N@@H+](C)C2CC2)cc1C#N ZINC000357456636 180390490 /nfs/dbraw/zinc/39/04/90/180390490.db2.gz SUFSKOCDHLUIBV-GFCCVEGCSA-N 1 0 234.303 0.518 20 30 BCEDRO Cc1nn(C[C@H](C)[NH+](C)C)c(=O)c(C#N)c1C ZINC000331069787 180390988 /nfs/dbraw/zinc/39/09/88/180390988.db2.gz BWQAADPCCJYLDV-QMMMGPOBSA-N 1 0 234.303 0.682 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCCN(c3cnc(C#N)cn3)[C@@H]2C1 ZINC000577504546 365971884 /nfs/dbraw/zinc/97/18/84/365971884.db2.gz XFAKZSYDSCYPLV-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO N#Cc1cccc(NC(=O)C[C@H]2COCC[NH2+]2)c1 ZINC000128836841 350569674 /nfs/dbraw/zinc/56/96/74/350569674.db2.gz HYXLUFHNEUVDAD-LBPRGKRZSA-N 1 0 245.282 0.875 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000337080948 350550150 /nfs/dbraw/zinc/55/01/50/350550150.db2.gz VZUXOGKJRZCOAM-WDEREUQCSA-N 1 0 228.336 0.626 20 30 BCEDRO C=CCOCCNC(=O)NCCC[NH2+]C(C)C ZINC000637418451 350560360 /nfs/dbraw/zinc/56/03/60/350560360.db2.gz YYKRDIAQXSLHMW-UHFFFAOYSA-N 1 0 243.351 0.876 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)CSC ZINC000577513689 365976039 /nfs/dbraw/zinc/97/60/39/365976039.db2.gz VKQZENWJSGWINE-UWVGGRQHSA-N 1 0 219.350 0.627 20 30 BCEDRO C=CCNC(=[NH2+])NCCCC(=O)OC(C)C ZINC000154333969 191115350 /nfs/dbraw/zinc/11/53/50/191115350.db2.gz FZEFGWHHBBWIHI-UHFFFAOYSA-N 1 0 227.308 0.809 20 30 BCEDRO C[N@H+](CCOCCC#N)CC1(CO)CC1 ZINC000339110574 350734631 /nfs/dbraw/zinc/73/46/31/350734631.db2.gz HOBVGDAWBDIRRJ-UHFFFAOYSA-N 1 0 212.293 0.621 20 30 BCEDRO CO[C@]1(CO)CCC[N@H+](CCCC#N)C1 ZINC000401774987 362981866 /nfs/dbraw/zinc/98/18/66/362981866.db2.gz MCOOVHYQIDFESC-LLVKDONJSA-N 1 0 212.293 0.763 20 30 BCEDRO CC#CC[N@H+](C)[C@@H](C)CN1CCOCC1 ZINC000339750331 350817651 /nfs/dbraw/zinc/81/76/51/350817651.db2.gz CKWBTJSSKNFICD-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO CC#CC[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000339750329 350818038 /nfs/dbraw/zinc/81/80/38/350818038.db2.gz CKWBTJSSKNFICD-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H](CO)[C@@H]2CCCO2)C1 ZINC000336682625 350907517 /nfs/dbraw/zinc/90/75/17/350907517.db2.gz PXGRMQAKNHBTEB-RHYQMDGZSA-N 1 0 224.304 0.808 20 30 BCEDRO CNC(=O)CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397719063 350966176 /nfs/dbraw/zinc/96/61/76/350966176.db2.gz VOXHMSBUDZTREM-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@H]1CN(C)CCO1 ZINC000129102655 350986898 /nfs/dbraw/zinc/98/68/98/350986898.db2.gz SKGYOXUORBLTKT-GXFFZTMASA-N 1 0 249.314 0.960 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)CCC(C)(C)C#N ZINC000336692067 350995930 /nfs/dbraw/zinc/99/59/30/350995930.db2.gz NACPLEVAUSPNFO-JTQLQIEISA-N 1 0 214.309 0.601 20 30 BCEDRO CN1CC[C@@H]([N@@H+]2CCC[C@H](CC#N)C2)C1=O ZINC000397600230 350957293 /nfs/dbraw/zinc/95/72/93/350957293.db2.gz LQHASOFCEMALGT-GHMZBOCLSA-N 1 0 221.304 0.843 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[NH+](CC)CC1 ZINC000052635033 351062687 /nfs/dbraw/zinc/06/26/87/351062687.db2.gz MORQKNSMOLPNIX-NSHDSACASA-N 1 0 225.336 0.315 20 30 BCEDRO C=CC1CC[NH+](CCNS(C)(=O)=O)CC1 ZINC000111257363 191130359 /nfs/dbraw/zinc/13/03/59/191130359.db2.gz TWJYCNOTKUOCPP-UHFFFAOYSA-N 1 0 232.349 0.434 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@]2(O)CCOC2)C1 ZINC000336722509 351168427 /nfs/dbraw/zinc/16/84/27/351168427.db2.gz FDZYDEHGVDWNSF-VWYCJHECSA-N 1 0 210.277 0.420 20 30 BCEDRO CNC(NC[C@@H]1CCCSC1)=[NH+]C ZINC000306966945 351385682 /nfs/dbraw/zinc/38/56/82/351385682.db2.gz FZUBJBXSHCLNPF-QMMMGPOBSA-N 1 0 201.339 0.924 20 30 BCEDRO N#Cc1ccnc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000231899761 351436295 /nfs/dbraw/zinc/43/62/95/351436295.db2.gz CJXFMSSJKXCMLN-SNVBAGLBSA-N 1 0 229.287 0.997 20 30 BCEDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(C#N)cc1F ZINC000090288084 363031383 /nfs/dbraw/zinc/03/13/83/363031383.db2.gz KFVYZQUZLUDZTE-LBPRGKRZSA-N 1 0 238.262 0.530 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NCCCC ZINC000272783572 351494910 /nfs/dbraw/zinc/49/49/10/351494910.db2.gz CCSYQIFETSKSCN-UHFFFAOYSA-N 1 0 247.364 0.292 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H]1CCC[N@H+]1C ZINC000623870485 351468309 /nfs/dbraw/zinc/46/83/09/351468309.db2.gz BNPCWAQIGHHOGE-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO CC(C)[C@H]([NH3+])CNc1nccc(C#N)n1 ZINC000231943080 351475337 /nfs/dbraw/zinc/47/53/37/351475337.db2.gz AKNJILFTKRWMQM-SECBINFHSA-N 1 0 205.265 0.743 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)CCc1ccccc1 ZINC000273352195 351521076 /nfs/dbraw/zinc/52/10/76/351521076.db2.gz QNNLTGCEKMRDRX-LLVKDONJSA-N 1 0 221.304 0.514 20 30 BCEDRO N#Cc1cccc2c1CN(C(=O)CC[NH3+])C2 ZINC000405081102 351660091 /nfs/dbraw/zinc/66/00/91/351660091.db2.gz HGLODTNWFDNKSX-UHFFFAOYSA-N 1 0 215.256 0.749 20 30 BCEDRO C[C@H](C[NH3+])C(=O)N1Cc2cccc(C#N)c2C1 ZINC000405087579 351665800 /nfs/dbraw/zinc/66/58/00/351665800.db2.gz KSYBTUGJOZIXQX-SECBINFHSA-N 1 0 229.283 0.995 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000637871065 351737299 /nfs/dbraw/zinc/73/72/99/351737299.db2.gz ZEFHQNIMXLERPK-DGCLKSJQSA-N 1 0 238.331 0.954 20 30 BCEDRO CCCCNC(=[NH2+])NCc1cccnn1 ZINC000278351864 351758691 /nfs/dbraw/zinc/75/86/91/351758691.db2.gz WDJMVCJSIIPWEJ-UHFFFAOYSA-N 1 0 207.281 0.681 20 30 BCEDRO CO[C@H](C[NH3+])CC(=O)N(C)[C@@H](C)CC#N ZINC000232120362 351832356 /nfs/dbraw/zinc/83/23/56/351832356.db2.gz XMNGWAHZCWSIQS-IUCAKERBSA-N 1 0 213.281 0.111 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC(NC)=[NH+]C ZINC000280656147 351855199 /nfs/dbraw/zinc/85/51/99/351855199.db2.gz WWYOBUCVNJBVSZ-UWVGGRQHSA-N 1 0 211.309 0.762 20 30 BCEDRO C=C[C@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638004253 351878717 /nfs/dbraw/zinc/87/87/17/351878717.db2.gz XEDWLBWKCXFKMJ-ONGXEEELSA-N 1 0 212.293 0.433 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H](CC)[NH+](C)C ZINC000282105011 351923508 /nfs/dbraw/zinc/92/35/08/351923508.db2.gz WJRUDTOWYFZHAF-JTQLQIEISA-N 1 0 207.277 0.312 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)c1cc(C)cc(C)c1 ZINC000282741022 351942453 /nfs/dbraw/zinc/94/24/53/351942453.db2.gz XYYBWVRHFWDZIV-LLVKDONJSA-N 1 0 221.304 0.871 20 30 BCEDRO C=CCCCN(C)C(=O)[C@@H]1OCC[C@@H]1[NH3+] ZINC000638009092 351887772 /nfs/dbraw/zinc/88/77/72/351887772.db2.gz BHDDEROUJIBYPM-VHSXEESVSA-N 1 0 212.293 0.527 20 30 BCEDRO N#CCCCC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000336734443 351888283 /nfs/dbraw/zinc/88/82/83/351888283.db2.gz NCSKLQUQTRWXFO-WDEREUQCSA-N 1 0 212.293 0.810 20 30 BCEDRO C#CCN(CC#N)C(=O)C1CC[NH+](C)CC1 ZINC000281921293 351916517 /nfs/dbraw/zinc/91/65/17/351916517.db2.gz HEIUKGDPISRMNC-UHFFFAOYSA-N 1 0 219.288 0.314 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284660499 352003045 /nfs/dbraw/zinc/00/30/45/352003045.db2.gz WCKMVRNRXUYHID-LBPRGKRZSA-N 1 0 249.318 0.409 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCc2ccccn2)N1 ZINC000285107943 352022917 /nfs/dbraw/zinc/02/29/17/352022917.db2.gz OZKSTOAPGXQSSF-SNVBAGLBSA-N 1 0 218.304 0.952 20 30 BCEDRO C=CCN(C)C(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000638221340 352080768 /nfs/dbraw/zinc/08/07/68/352080768.db2.gz DTNPWGYRNUYZHX-GFCCVEGCSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCN(C)C(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638223691 352082612 /nfs/dbraw/zinc/08/26/12/352082612.db2.gz YNTNNPNHWYBSCN-LLVKDONJSA-N 1 0 212.293 0.386 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCS(=O)(=O)C(C)C ZINC000288771218 352164476 /nfs/dbraw/zinc/16/44/76/352164476.db2.gz UUIUZRQYKDKVEJ-UHFFFAOYSA-N 1 0 247.364 0.290 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000288814334 352165887 /nfs/dbraw/zinc/16/58/87/352165887.db2.gz SVAHMSIMZKACIS-IUCAKERBSA-N 1 0 228.292 0.348 20 30 BCEDRO C=CCCOCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627005452 363108538 /nfs/dbraw/zinc/10/85/38/363108538.db2.gz ALIQBONZWBCKBR-WDEREUQCSA-N 1 0 241.335 0.629 20 30 BCEDRO N#CCCCC[N@H+]1CCC[C@H](c2nc(=O)[nH][nH]2)C1 ZINC000289435182 352185692 /nfs/dbraw/zinc/18/56/92/352185692.db2.gz NZEMIRQXFFVQFO-JTQLQIEISA-N 1 0 249.318 0.971 20 30 BCEDRO C=C1CCN(C(=O)[C@@]2(C)C[NH2+]CCO2)CC1 ZINC000638380879 352191100 /nfs/dbraw/zinc/19/11/00/352191100.db2.gz GWRPOAGPXQNOEI-GFCCVEGCSA-N 1 0 224.304 0.544 20 30 BCEDRO C=C1CCN(C(=O)[C@]2(C[NH3+])CCCOC2)CC1 ZINC000638381803 352193849 /nfs/dbraw/zinc/19/38/49/352193849.db2.gz OXEVKQCRHDTSTB-ZDUSSCGKSA-N 1 0 238.331 0.921 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000631972215 363118478 /nfs/dbraw/zinc/11/84/78/363118478.db2.gz ADUFRPUHBWOTHS-DTWKUNHWSA-N 1 0 218.322 0.314 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000631972216 363118556 /nfs/dbraw/zinc/11/85/56/363118556.db2.gz ADUFRPUHBWOTHS-IUCAKERBSA-N 1 0 218.322 0.314 20 30 BCEDRO C=CC[C@H](CC)NC(=O)NCCOCC[NH2+]C ZINC000627027532 363120512 /nfs/dbraw/zinc/12/05/12/363120512.db2.gz ROQYZXSDVPKAMD-NSHDSACASA-N 1 0 243.351 0.876 20 30 BCEDRO CN(CCC#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000037174841 358468971 /nfs/dbraw/zinc/46/89/71/358468971.db2.gz ACLBJCVUSVVMBX-SNVBAGLBSA-N 1 0 241.360 0.796 20 30 BCEDRO COCC[N@H+](C)CCCNC(=O)C(C)(C)C#N ZINC000340340525 352223489 /nfs/dbraw/zinc/22/34/89/352223489.db2.gz JJGMIOHXXZYVBW-UHFFFAOYSA-N 1 0 241.335 0.621 20 30 BCEDRO C=CCOCCCNC(=O)[C@H](C)[NH2+]CC ZINC000638415593 352225950 /nfs/dbraw/zinc/22/59/50/352225950.db2.gz OFLFEAGASIEXAE-JTQLQIEISA-N 1 0 214.309 0.693 20 30 BCEDRO CCNC(=[NH2+])NCCc1cccnc1OC ZINC000290457335 352226054 /nfs/dbraw/zinc/22/60/54/352226054.db2.gz DDHDJYQDMKXJOH-UHFFFAOYSA-N 1 0 222.292 0.557 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(OC)nc1OC ZINC000290457322 352226098 /nfs/dbraw/zinc/22/60/98/352226098.db2.gz DCYZXVGWMLJMHL-UHFFFAOYSA-N 1 0 224.264 0.133 20 30 BCEDRO C=CCCC(C)(C)NC(=O)CN1CC[NH2+]CC1 ZINC000638432923 352241813 /nfs/dbraw/zinc/24/18/13/352241813.db2.gz UENYNAHJAHYSNH-UHFFFAOYSA-N 1 0 239.363 0.753 20 30 BCEDRO C=CCOCCNC(=O)C1=CC[C@H]([NH3+])C1 ZINC000638424109 352231132 /nfs/dbraw/zinc/23/11/32/352231132.db2.gz HXIRGRAHXKHIDP-JTQLQIEISA-N 1 0 210.277 0.353 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](C)[NH2+]CC ZINC000638424025 352231145 /nfs/dbraw/zinc/23/11/45/352231145.db2.gz HQOFIKABMGMOOQ-SECBINFHSA-N 1 0 200.282 0.303 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000613350446 363133878 /nfs/dbraw/zinc/13/38/78/363133878.db2.gz ITKOTAFDFPRMJE-ZDUSSCGKSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1cccnc1OC ZINC000290657139 352234000 /nfs/dbraw/zinc/23/40/00/352234000.db2.gz NMPWXXGLYIAFHK-UHFFFAOYSA-N 1 0 234.303 0.723 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000613374862 363150537 /nfs/dbraw/zinc/15/05/37/363150537.db2.gz JRDHJZFVWZRULR-GXFFZTMASA-N 1 0 238.331 0.690 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCCN(C)CC1 ZINC000411148305 191165139 /nfs/dbraw/zinc/16/51/39/191165139.db2.gz LBPQKNMJFDHWPN-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CCC([NH+](C)C)CC1 ZINC000300941637 363175959 /nfs/dbraw/zinc/17/59/59/363175959.db2.gz DOXFHCPQJIYRFA-NSHDSACASA-N 1 0 226.320 0.740 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)C[NH2+]CCOC)C1 ZINC000638471676 352280491 /nfs/dbraw/zinc/28/04/91/352280491.db2.gz KOSCZPTYDOIVOH-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000638471297 352281442 /nfs/dbraw/zinc/28/14/42/352281442.db2.gz AXBPLTDKMIEPSU-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000638471336 352281773 /nfs/dbraw/zinc/28/17/73/352281773.db2.gz COKPLJBSVUCBGT-RYUDHWBXSA-N 1 0 239.363 0.690 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)[C@@H](N)CC[NH+](C)C)C1 ZINC000638471334 352281859 /nfs/dbraw/zinc/28/18/59/352281859.db2.gz COKPLJBSVUCBGT-NEPJUHHUSA-N 1 0 239.363 0.690 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)c2cn(CC[NH3+])nn2)C1 ZINC000638475121 352283539 /nfs/dbraw/zinc/28/35/39/352283539.db2.gz TUPHGSHAXDZARS-JTQLQIEISA-N 1 0 249.318 0.275 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000638504488 352326736 /nfs/dbraw/zinc/32/67/36/352326736.db2.gz PSYIGQKIKDWWJM-JTQLQIEISA-N 1 0 224.304 0.590 20 30 BCEDRO C[C@](O)(CO)C[NH2+]Cc1cc(C#N)cs1 ZINC000086573794 352347941 /nfs/dbraw/zinc/34/79/41/352347941.db2.gz SEGSFEDAVULVLC-SNVBAGLBSA-N 1 0 226.301 0.453 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)Cc1nnnn1C ZINC000411638694 191200940 /nfs/dbraw/zinc/20/09/40/191200940.db2.gz HUZUCAZKQUXBND-UHFFFAOYSA-N 1 0 238.339 0.150 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)NCCOCC[NH2+]C ZINC000638577325 352408233 /nfs/dbraw/zinc/40/82/33/352408233.db2.gz XBCNCUJGMRSEEN-LLVKDONJSA-N 1 0 228.336 0.941 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638621352 352460936 /nfs/dbraw/zinc/46/09/36/352460936.db2.gz WGZUALXKBNCNGA-GHMZBOCLSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCCC(=O)NCCOCCC[NH3+] ZINC000638661380 352504595 /nfs/dbraw/zinc/50/45/95/352504595.db2.gz OHXPXBBAWVVFFU-UHFFFAOYSA-N 1 0 200.282 0.434 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638677321 352516838 /nfs/dbraw/zinc/51/68/38/352516838.db2.gz IFSJBSIRLJBERF-NSHDSACASA-N 1 0 244.335 0.401 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)CCOCC[NH3+] ZINC000638677320 352516858 /nfs/dbraw/zinc/51/68/58/352516858.db2.gz IFSJBSIRLJBERF-LLVKDONJSA-N 1 0 244.335 0.401 20 30 BCEDRO C=C(CC)C[N@@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC000411912069 191229155 /nfs/dbraw/zinc/22/91/55/191229155.db2.gz HXGHTFZTCVCUJN-LBPRGKRZSA-N 1 0 240.347 0.989 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@H](C)c1nncn1C ZINC000336744259 352697158 /nfs/dbraw/zinc/69/71/58/352697158.db2.gz PZRBURLMHYPCJC-NXEZZACHSA-N 1 0 224.308 0.793 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000638770119 352710901 /nfs/dbraw/zinc/71/09/01/352710901.db2.gz FTQCJCUAUJXXJR-VHSXEESVSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C(=O)N(C)C)C1 ZINC000411932857 191230187 /nfs/dbraw/zinc/23/01/87/191230187.db2.gz AHSBKEIJIIBPHX-NEPJUHHUSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[NH+]2CCC1CC2 ZINC000334241307 352829334 /nfs/dbraw/zinc/82/93/34/352829334.db2.gz PHSSPMQFXINOTB-CYBMUJFWSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](CO)[C@H]1C ZINC000412102058 191262014 /nfs/dbraw/zinc/26/20/14/191262014.db2.gz ZDZRXEJMYQWKEC-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CC1(F)F ZINC000638846843 353027230 /nfs/dbraw/zinc/02/72/30/353027230.db2.gz HSRYTXLVHMSGBI-JGVFFNPUSA-N 1 0 218.247 0.922 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@H]1CCSC1 ZINC000119900745 166364792 /nfs/dbraw/zinc/36/47/92/166364792.db2.gz QLTGXBCSLHRFJQ-VIFPVBQESA-N 1 0 214.334 0.726 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@]1(OC)CCOC1 ZINC000638831323 353011211 /nfs/dbraw/zinc/01/12/11/353011211.db2.gz YLOYUFMPUVHJES-RYUDHWBXSA-N 1 0 229.320 0.566 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000069727200 166365797 /nfs/dbraw/zinc/36/57/97/166365797.db2.gz OOCCYURYGHJKFH-GHMZBOCLSA-N 1 0 225.336 0.348 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917584 353081723 /nfs/dbraw/zinc/08/17/23/353081723.db2.gz RBQAZTKSYHUNDC-VWYCJHECSA-N 1 0 224.304 0.540 20 30 BCEDRO C=CCCn1cc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)nn1 ZINC000638929398 353099227 /nfs/dbraw/zinc/09/92/27/353099227.db2.gz OWLBUHPEPROSGT-NXEZZACHSA-N 1 0 249.318 0.416 20 30 BCEDRO C=CCCn1cc(C(=O)N2C[C@@H]([NH3+])C[C@H]2C)nn1 ZINC000638929401 353099460 /nfs/dbraw/zinc/09/94/60/353099460.db2.gz OWLBUHPEPROSGT-ZJUUUORDSA-N 1 0 249.318 0.416 20 30 BCEDRO C=CCCCN(C)C(=O)[C@@H]1CN(C)CCO1 ZINC000175044982 188080327 /nfs/dbraw/zinc/08/03/27/188080327.db2.gz INQCOJFIXPYNNB-NSHDSACASA-N 1 0 226.320 0.742 20 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CC#CC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277888990 188095062 /nfs/dbraw/zinc/09/50/62/188095062.db2.gz VYPIHSHRKNEWFV-STQMWFEESA-N 1 0 233.315 0.451 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCOC[C@H]1C ZINC000279949608 188095346 /nfs/dbraw/zinc/09/53/46/188095346.db2.gz OLDNAVBJFZHPCO-MNOVXSKESA-N 1 0 224.304 0.141 20 30 BCEDRO C[N@H+](CCNC(=O)NC1CCOCC1)C1CC1 ZINC000329463211 538109086 /nfs/dbraw/zinc/10/90/86/538109086.db2.gz UGWSDQWCYRXWKX-UHFFFAOYSA-N 1 0 241.335 0.763 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]([NH3+])C1CCOCC1 ZINC000261577003 188087528 /nfs/dbraw/zinc/08/75/28/188087528.db2.gz KTEGNLDMSYDZJS-VIFPVBQESA-N 1 0 232.711 0.609 20 30 BCEDRO C=C1CC[NH+](CCN2C(=O)CNC2=O)CC1 ZINC000264472915 188087776 /nfs/dbraw/zinc/08/77/76/188087776.db2.gz OAYMTXDLDAHSOR-UHFFFAOYSA-N 1 0 223.276 0.190 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](COC)C1 ZINC000265801039 188087942 /nfs/dbraw/zinc/08/79/42/188087942.db2.gz OAQJXKFKSJNZSZ-MNOVXSKESA-N 1 0 224.304 0.093 20 30 BCEDRO CC#CC[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000267686798 188087974 /nfs/dbraw/zinc/08/79/74/188087974.db2.gz RRLXWEZMZQHJSW-UHFFFAOYSA-N 1 0 206.289 0.612 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000330824793 353183781 /nfs/dbraw/zinc/18/37/81/353183781.db2.gz FCLMHNMMPCFYMC-LBPRGKRZSA-N 1 0 248.330 0.832 20 30 BCEDRO C[C@H]1CC[C@@H]([N@H+](CCO)CC(=O)NCC#N)C1 ZINC000330867238 353188536 /nfs/dbraw/zinc/18/85/36/353188536.db2.gz VOUGPEZJXSFFAW-WDEREUQCSA-N 1 0 239.319 0.109 20 30 BCEDRO CC(C)[N@@H+]1CCO[C@@H](C(=O)NCCCC#N)C1 ZINC000368576319 535207470 /nfs/dbraw/zinc/20/74/70/535207470.db2.gz QRKSBOKAEFIUEB-LLVKDONJSA-N 1 0 239.319 0.516 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@H+](CCn2ccnc2)C1 ZINC000330951085 353203071 /nfs/dbraw/zinc/20/30/71/353203071.db2.gz PLEFJGORIZGZDB-SNVBAGLBSA-N 1 0 237.307 0.091 20 30 BCEDRO COC[C@H](CCO)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336762590 353204453 /nfs/dbraw/zinc/20/44/53/353204453.db2.gz NYJJRZNEUCNJMC-VWYCJHECSA-N 1 0 212.293 0.666 20 30 BCEDRO CCOC(=O)CC[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000330960820 353204792 /nfs/dbraw/zinc/20/47/92/353204792.db2.gz XVGVBGLJBYXNKJ-SECBINFHSA-N 1 0 243.307 0.147 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)CC(C)(C)O)CC1 ZINC000331017455 353212917 /nfs/dbraw/zinc/21/29/17/353212917.db2.gz VQPLNDSVZVFICC-UHFFFAOYSA-N 1 0 240.347 0.914 20 30 BCEDRO COCC[N@@H+]1CCC[C@@H]1CNC(=O)CC#N ZINC000331050040 353213274 /nfs/dbraw/zinc/21/32/74/353213274.db2.gz HXFJAQDYRCJNKW-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO CN(CCCO)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000331268210 353232176 /nfs/dbraw/zinc/23/21/76/353232176.db2.gz KHHRUBFXIIIEMP-SNVBAGLBSA-N 1 0 229.324 0.309 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](C)C[C@H]1[C@H](C)O ZINC000331273550 353232665 /nfs/dbraw/zinc/23/26/65/353232665.db2.gz CVCGQGFWCHANHM-SRVKXCTJSA-N 1 0 240.347 0.770 20 30 BCEDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCCC#N ZINC000331148763 353222588 /nfs/dbraw/zinc/22/25/88/353222588.db2.gz HKRLGNJEVYQDMI-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO CCC[NH+]1CCC(NC(=O)NC[C@H](C)O)CC1 ZINC000331205727 353229526 /nfs/dbraw/zinc/22/95/26/353229526.db2.gz DAUHWUAYYWCOQY-JTQLQIEISA-N 1 0 243.351 0.745 20 30 BCEDRO CN(CC[NH+]1CCCC1)S(=O)(=O)CCC#N ZINC000331347644 353245025 /nfs/dbraw/zinc/24/50/25/353245025.db2.gz WTKBCFGUHHSOQJ-UHFFFAOYSA-N 1 0 245.348 0.257 20 30 BCEDRO C[C@H](CCCO)NC(=O)NC1CC[NH+](C)CC1 ZINC000331348833 353245062 /nfs/dbraw/zinc/24/50/62/353245062.db2.gz UEXWORFYURVASC-SNVBAGLBSA-N 1 0 243.351 0.745 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000126226556 353248112 /nfs/dbraw/zinc/24/81/12/353248112.db2.gz XEHZFBFAKAFFMF-VHSXEESVSA-N 1 0 241.360 0.842 20 30 BCEDRO CC(C)(C[NH2+][C@H]1CC[C@H](C#N)C1)C(N)=O ZINC000336767743 353275982 /nfs/dbraw/zinc/27/59/82/353275982.db2.gz TZWKOPRIERSAKI-IUCAKERBSA-N 1 0 209.293 0.780 20 30 BCEDRO C=CCNC(=O)CN(CCC)[C@@H]1CC[NH2+]C1 ZINC000070902912 353261869 /nfs/dbraw/zinc/26/18/69/353261869.db2.gz ANTNKIQLYXHHEY-LLVKDONJSA-N 1 0 225.336 0.363 20 30 BCEDRO C=CCNC(=O)NCC[N@@H+](C)CCCOC ZINC000174479002 166377199 /nfs/dbraw/zinc/37/71/99/166377199.db2.gz QFAOKTDLJYAGMM-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H](C)Cc1cnccn1 ZINC000639046835 353337441 /nfs/dbraw/zinc/33/74/41/353337441.db2.gz XVYXXHQASYMVQA-MNOVXSKESA-N 1 0 221.304 0.934 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)Cc1cnccn1 ZINC000639046836 353337670 /nfs/dbraw/zinc/33/76/70/353337670.db2.gz XVYXXHQASYMVQA-QWRGUYRKSA-N 1 0 221.304 0.934 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000639044244 353329042 /nfs/dbraw/zinc/32/90/42/353329042.db2.gz IGKXTMLHNGJRGM-TUAOUCFPSA-N 1 0 229.320 0.565 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[NH+](CC)CC ZINC000076673777 353343242 /nfs/dbraw/zinc/34/32/42/353343242.db2.gz LDJKFJHQVAJGJN-VIFPVBQESA-N 1 0 227.308 0.729 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)[C@H](C)CO ZINC000131949432 353375900 /nfs/dbraw/zinc/37/59/00/353375900.db2.gz MONSHMIMCGFHDE-LLVKDONJSA-N 1 0 226.320 0.500 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)NCCCOC ZINC000132626726 353384549 /nfs/dbraw/zinc/38/45/49/353384549.db2.gz IZRJUFCPXSVDHF-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[NH+]2CCC1CC2 ZINC000334509136 353407310 /nfs/dbraw/zinc/40/73/10/353407310.db2.gz RTFUXPSFQVNXIE-VIFPVBQESA-N 1 0 207.277 0.453 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NC(=O)c1cc(C#N)cn1C ZINC000081758735 353413615 /nfs/dbraw/zinc/41/36/15/353413615.db2.gz LKXFHVISAPEOOM-JTQLQIEISA-N 1 0 248.330 0.967 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CC)[C@@H]1CCNC1=O ZINC000281571497 353444505 /nfs/dbraw/zinc/44/45/05/353444505.db2.gz DIQWBEVVORYFGE-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H](C)c2cnn(C)c2)C1=O ZINC000281395098 353446134 /nfs/dbraw/zinc/44/61/34/353446134.db2.gz PZFQPRGYALJRDT-CMPLNLGQSA-N 1 0 248.330 0.858 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCCO[C@@H](CC)C1 ZINC000281444757 353447519 /nfs/dbraw/zinc/44/75/19/353447519.db2.gz QDPGLXVJPQSENM-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCC[N@@H+](C)Cc1cnc(N)nc1N ZINC000639091098 353452336 /nfs/dbraw/zinc/45/23/36/353452336.db2.gz LRUXKQVNXCNDST-UHFFFAOYSA-N 1 0 207.281 0.310 20 30 BCEDRO C=CC[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000153243534 324123509 /nfs/dbraw/zinc/12/35/09/324123509.db2.gz WDJRGJPNZXALQJ-UHFFFAOYSA-N 1 0 219.292 0.914 20 30 BCEDRO C=CCNC(=O)C[N@H+]1[C@H](C)CC(O)C[C@@H]1C ZINC000191286959 353455510 /nfs/dbraw/zinc/45/55/10/353455510.db2.gz QJPVUSMSSHUCMC-ZACCUICWSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C[C@@H](O)CC)C1=O ZINC000281171817 353436276 /nfs/dbraw/zinc/43/62/76/353436276.db2.gz AHOSVSNOSHAYPK-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281226400 353438783 /nfs/dbraw/zinc/43/87/83/353438783.db2.gz FBCQMGNVLVXODF-MNOVXSKESA-N 1 0 222.288 0.830 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)c1cnn(C)c1 ZINC000134402937 353494689 /nfs/dbraw/zinc/49/46/89/353494689.db2.gz KLKYLFKKNDARKO-SECBINFHSA-N 1 0 222.292 0.373 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](CC)CCCO)C1=O ZINC000282126109 353464431 /nfs/dbraw/zinc/46/44/31/353464431.db2.gz YFVPGBDJAMSAQY-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO C#C[C@@H](NC(=O)[C@@H]1CCC[N@@H+]1C)C(C)C ZINC000282196048 353465702 /nfs/dbraw/zinc/46/57/02/353465702.db2.gz SNSWBKYGICNMNK-MNOVXSKESA-N 1 0 208.305 0.855 20 30 BCEDRO CC#CC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000283060533 353494380 /nfs/dbraw/zinc/49/43/80/353494380.db2.gz CYDIIYADSVYLRB-SNVBAGLBSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)N(C)OC)CC1 ZINC000192378226 353547757 /nfs/dbraw/zinc/54/77/57/353547757.db2.gz FQZDMXULPSSPMJ-UHFFFAOYSA-N 1 0 227.308 0.840 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)N2CCCO2)CC1 ZINC000284085165 353508890 /nfs/dbraw/zinc/50/88/90/353508890.db2.gz NOQGQWPGGVSFRQ-UHFFFAOYSA-N 1 0 239.319 0.984 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@]1(OC)CCOC1 ZINC000639099795 353512728 /nfs/dbraw/zinc/51/27/28/353512728.db2.gz JLXQDAHKEGRPHF-LBPRGKRZSA-N 1 0 229.320 0.926 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H](C)CO)C1=O ZINC000284910729 353517616 /nfs/dbraw/zinc/51/76/16/353517616.db2.gz VGSOXLLRVULFDF-ZJUUUORDSA-N 1 0 212.293 0.086 20 30 BCEDRO C=CC[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284643590 353519295 /nfs/dbraw/zinc/51/92/95/353519295.db2.gz UPHUOCLFADUIIR-LLVKDONJSA-N 1 0 222.292 0.291 20 30 BCEDRO CC#CCNC(=O)NCC[N@@H+](CC)C1CC1 ZINC000135343241 353539835 /nfs/dbraw/zinc/53/98/35/353539835.db2.gz GFSAZGBHCIABBC-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCC[N@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000285578349 353546297 /nfs/dbraw/zinc/54/62/97/353546297.db2.gz ATUOOGSZHAIDHE-UHFFFAOYSA-N 1 0 231.299 0.645 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CCOCCO)C(C)C ZINC000283804052 353503060 /nfs/dbraw/zinc/50/30/60/353503060.db2.gz WEKSZEFQZATKER-UHFFFAOYSA-N 1 0 244.335 0.008 20 30 BCEDRO CC#CC(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000283773960 353504076 /nfs/dbraw/zinc/50/40/76/353504076.db2.gz MOHDEOOFRPCCNP-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](C)[C@H](C(N)=O)C1 ZINC000286058021 353556397 /nfs/dbraw/zinc/55/63/97/353556397.db2.gz FVCZXUIDRYZANL-GMTAPVOTSA-N 1 0 226.320 0.367 20 30 BCEDRO C=CCCCC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000274808563 188446052 /nfs/dbraw/zinc/44/60/52/188446052.db2.gz QHWDZUJNRVEIIU-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C#CCNC(=O)[C@@]1(F)CC[N@@H+](C(C)(C)C)C1 ZINC000289426052 353628659 /nfs/dbraw/zinc/62/86/59/353628659.db2.gz WXPLKEYFRVCQDM-GFCCVEGCSA-N 1 0 226.295 0.948 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000289579614 353632748 /nfs/dbraw/zinc/63/27/48/353632748.db2.gz DUTKBMCSFNETIV-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO C#Cc1ccc(C[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000289714201 353638356 /nfs/dbraw/zinc/63/83/56/353638356.db2.gz ODFFACUHFWEJIR-STQMWFEESA-N 1 0 217.268 0.205 20 30 BCEDRO C=C[C@H](CO)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000331129002 133978979 /nfs/dbraw/zinc/97/89/79/133978979.db2.gz FSQMISWUXVURHV-GARJFASQSA-N 1 0 226.320 0.522 20 30 BCEDRO N#CC1(CN2CC[NH+](C[C@@H]3CCOC3)CC2)CC1 ZINC000343317415 353659002 /nfs/dbraw/zinc/65/90/02/353659002.db2.gz VFWYHPGNQCDHDO-ZDUSSCGKSA-N 1 0 249.358 0.944 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000290686051 353668252 /nfs/dbraw/zinc/66/82/52/353668252.db2.gz ULFUNPLZMGQSFY-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO CCO[C@@H]1C[C@H](NC(=[NH2+])NC)C12CCOCC2 ZINC000184594492 353684275 /nfs/dbraw/zinc/68/42/75/353684275.db2.gz KWXNLUBZDXMKRY-VHSXEESVSA-N 1 0 241.335 0.495 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000291246611 353684670 /nfs/dbraw/zinc/68/46/70/353684670.db2.gz LNTMGECQRODCBA-VHSXEESVSA-N 1 0 229.324 0.173 20 30 BCEDRO C=CC[NH+]1CCC(C(=O)N(C)OC)CC1 ZINC000291869233 353701380 /nfs/dbraw/zinc/70/13/80/353701380.db2.gz PRUGQHFDOWFRHZ-UHFFFAOYSA-N 1 0 212.293 0.904 20 30 BCEDRO C[NH+]1CCC(CNC(=O)CSCC#N)CC1 ZINC000194939591 353710396 /nfs/dbraw/zinc/71/03/96/353710396.db2.gz GISAVBIQVDAQOA-UHFFFAOYSA-N 1 0 241.360 0.701 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000292565765 353716380 /nfs/dbraw/zinc/71/63/80/353716380.db2.gz FOXKUHQCBMRMNA-MNOVXSKESA-N 1 0 228.336 0.770 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]1CSC ZINC000292845319 353727105 /nfs/dbraw/zinc/72/71/05/353727105.db2.gz PZLUPGOIASCOCA-NSHDSACASA-N 1 0 240.372 0.953 20 30 BCEDRO C=CCC[N@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292868174 353727816 /nfs/dbraw/zinc/72/78/16/353727816.db2.gz CXYSAAWSLDQNIR-LBPRGKRZSA-N 1 0 236.319 0.983 20 30 BCEDRO C=CCNC(=O)CN1C[C@@H](C)[N@H+](C)[C@@H](C)C1 ZINC000293482841 353751174 /nfs/dbraw/zinc/75/11/74/353751174.db2.gz SAADAYNICWRUMK-PHIMTYICSA-N 1 0 225.336 0.313 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@@H+](CC)[C@@H](C)CO ZINC000293516641 353752045 /nfs/dbraw/zinc/75/20/45/353752045.db2.gz VRKBJFQMQVCRBD-LBPRGKRZSA-N 1 0 240.347 0.890 20 30 BCEDRO C=CCNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000293034381 353736191 /nfs/dbraw/zinc/73/61/91/353736191.db2.gz VQDOUQKSHVMEGW-LBPRGKRZSA-N 1 0 223.320 0.910 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000320627839 353738031 /nfs/dbraw/zinc/73/80/31/353738031.db2.gz JRTAYJYXGZXEEJ-UPJWGTAASA-N 1 0 242.363 0.670 20 30 BCEDRO CC#CCCN1CCO[C@H](CNC(C)=O)C1 ZINC000185029109 353747070 /nfs/dbraw/zinc/74/70/70/353747070.db2.gz CGHJEYXOTHRLEU-GFCCVEGCSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CC(C)(C)CO ZINC000295176025 353798823 /nfs/dbraw/zinc/79/88/23/353798823.db2.gz HIJLACWYQGHRDB-UHFFFAOYSA-N 1 0 226.320 0.076 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(CF)CC1 ZINC000295166638 353798858 /nfs/dbraw/zinc/79/88/58/353798858.db2.gz PLAPXNZGVADBJH-SNVBAGLBSA-N 1 0 226.295 0.806 20 30 BCEDRO C#CCC[N@H+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000295086630 353801763 /nfs/dbraw/zinc/80/17/63/353801763.db2.gz DVUKAMOWDPSKJK-GFCCVEGCSA-N 1 0 225.288 0.521 20 30 BCEDRO C#CCCNC(=O)NCCC[N@@H+](C)CC#C ZINC000296539760 353826994 /nfs/dbraw/zinc/82/69/94/353826994.db2.gz VEOSKRCSWSXDCC-UHFFFAOYSA-N 1 0 221.304 0.264 20 30 BCEDRO C#CCCNC(=O)Nc1ccnn1CC[NH+](C)C ZINC000296724131 353831844 /nfs/dbraw/zinc/83/18/44/353831844.db2.gz BKBSZYAHZRTKNO-UHFFFAOYSA-N 1 0 249.318 0.590 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H]1CCNC(=O)CC1 ZINC000294943564 353794403 /nfs/dbraw/zinc/79/44/03/353794403.db2.gz JWXRFDIKIGZXKJ-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000295013762 353795847 /nfs/dbraw/zinc/79/58/47/353795847.db2.gz XZUCDBGTCTUQEQ-GHMZBOCLSA-N 1 0 226.320 0.481 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[N@@H+](CC)C1CC1 ZINC000186093227 353871278 /nfs/dbraw/zinc/87/12/78/353871278.db2.gz NFHPDKCGZXPOHW-SNVBAGLBSA-N 1 0 223.320 0.792 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@H]1C1CCC1 ZINC000108860900 181042018 /nfs/dbraw/zinc/04/20/18/181042018.db2.gz TTXWZANFWPILQX-NSHDSACASA-N 1 0 221.304 0.891 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@H]2CCCSC2)n1 ZINC000309517555 188527528 /nfs/dbraw/zinc/52/75/28/188527528.db2.gz AJVWBUHQNXCDLH-VIFPVBQESA-N 1 0 237.332 0.635 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000334551299 353990731 /nfs/dbraw/zinc/99/07/31/353990731.db2.gz ASQJPWXLGYBQBP-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO CC[N@H+](CCOC)[C@H](C)C(=O)N(C)CCC#N ZINC000343642306 353952055 /nfs/dbraw/zinc/95/20/55/353952055.db2.gz DRDIGENJWBHSLD-LLVKDONJSA-N 1 0 241.335 0.715 20 30 BCEDRO CCC[N@H+](C)CC(=O)N[C@H](C#N)C(C)C ZINC000343655489 353955076 /nfs/dbraw/zinc/95/50/76/353955076.db2.gz IFEPZGBAJWOJSJ-SNVBAGLBSA-N 1 0 211.309 0.993 20 30 BCEDRO N#C[C@@H]1CCC[C@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333783542 181060208 /nfs/dbraw/zinc/06/02/08/181060208.db2.gz LHIDROILXMPPSG-HBNTYKKESA-N 1 0 236.319 0.730 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000343981649 354057887 /nfs/dbraw/zinc/05/78/87/354057887.db2.gz NZFUPNWKJPQRTB-MNOVXSKESA-N 1 0 246.376 0.965 20 30 BCEDRO N#C[C@H]1CCC[C@@H]1NC(=O)N[C@H]1CCC[NH2+]C1 ZINC000333783545 181068847 /nfs/dbraw/zinc/06/88/47/181068847.db2.gz LHIDROILXMPPSG-VWYCJHECSA-N 1 0 236.319 0.730 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC000178005458 166389319 /nfs/dbraw/zinc/38/93/19/166389319.db2.gz LTCGOZUYPJTOFD-GXSJLCMTSA-N 1 0 212.293 0.134 20 30 BCEDRO N#Cc1cc(C[NH+](CCO)CCO)ccc1F ZINC000156789422 181084877 /nfs/dbraw/zinc/08/48/77/181084877.db2.gz CYYYKRJYXZVPMG-UHFFFAOYSA-N 1 0 238.262 0.484 20 30 BCEDRO C=CCNC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000627134158 363346214 /nfs/dbraw/zinc/34/62/14/363346214.db2.gz LQSLWSAFONSLHC-VIFPVBQESA-N 1 0 209.293 0.756 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@@H]([NH3+])C2)C1=O ZINC000334587508 354212769 /nfs/dbraw/zinc/21/27/69/354212769.db2.gz OJRDNOQDNIKJPQ-MNOVXSKESA-N 1 0 223.320 0.196 20 30 BCEDRO N#Cc1cc(NC(=O)[C@@H]2C[NH2+]CCO2)ccc1F ZINC000051638371 181090279 /nfs/dbraw/zinc/09/02/79/181090279.db2.gz VNSCPRHGWOLQNZ-NSHDSACASA-N 1 0 249.245 0.624 20 30 BCEDRO CC1=C[C@H](C)C[N@H+](CC(=O)NCC#N)C1 ZINC000334595958 354229240 /nfs/dbraw/zinc/22/92/40/354229240.db2.gz QPSPENQCPGIVIU-VIFPVBQESA-N 1 0 207.277 0.524 20 30 BCEDRO C=CCOCCC[N@@H+]1C[C@H](OC)C[C@H]1C(N)=O ZINC000344558246 354295599 /nfs/dbraw/zinc/29/55/99/354295599.db2.gz XWVQPLFLBVXFPH-MNOVXSKESA-N 1 0 242.319 0.154 20 30 BCEDRO N#Cc1ccc(C(=O)NCC[NH+]2CCCC2)cn1 ZINC000359870308 181100389 /nfs/dbraw/zinc/10/03/89/181100389.db2.gz GNTXRIPUBDEHII-UHFFFAOYSA-N 1 0 244.298 0.779 20 30 BCEDRO N#Cc1ccc(C(=O)NCC[NH+]2CCC2)cc1 ZINC000337306933 181100627 /nfs/dbraw/zinc/10/06/27/181100627.db2.gz WAIQVWWXMUTOTD-UHFFFAOYSA-N 1 0 229.283 0.994 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C1CC(O)C1 ZINC000332074592 134003985 /nfs/dbraw/zinc/00/39/85/134003985.db2.gz WGVVCVKEXBUJPH-WHXUTIOJSA-N 1 0 239.319 0.202 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCN2CCNC2=O)cc1 ZINC000037749220 181108811 /nfs/dbraw/zinc/10/88/11/181108811.db2.gz WMNBFHYXQVHCFE-UHFFFAOYSA-N 1 0 244.298 0.673 20 30 BCEDRO C=CCOCCC[N@@H+]1C[C@H](OC)C[C@@H]1CO ZINC000344730777 354346169 /nfs/dbraw/zinc/34/61/69/354346169.db2.gz UVVIZWVXRDBTEX-VXGBXAGGSA-N 1 0 229.320 0.661 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)o1 ZINC000157122440 181106158 /nfs/dbraw/zinc/10/61/58/181106158.db2.gz WZVTWLCYBDCFHN-QMMMGPOBSA-N 1 0 219.244 0.458 20 30 BCEDRO CC[NH+]1CCN(CC(=O)N[C@H](C)CC#N)CC1 ZINC000344988809 354389571 /nfs/dbraw/zinc/38/95/71/354389571.db2.gz IJAIHSYMGPDLPL-LLVKDONJSA-N 1 0 238.335 0.042 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000334644288 354401987 /nfs/dbraw/zinc/40/19/87/354401987.db2.gz HRFYKRGLQROEJL-QWRGUYRKSA-N 1 0 224.304 0.542 20 30 BCEDRO CC[NH+]=C(NCCN1CCC1)N1CCCC1 ZINC000261679919 535261912 /nfs/dbraw/zinc/26/19/12/535261912.db2.gz HQGJIBZQJNXKIX-UHFFFAOYSA-N 1 0 224.352 0.753 20 30 BCEDRO N#Cc1ccc([C@H](O)C[N@@H+]2CC[C@@H](O)C2)cc1 ZINC000178316488 181129874 /nfs/dbraw/zinc/12/98/74/181129874.db2.gz JIBKTBQVYMUVGI-CHWSQXEVSA-N 1 0 232.283 0.658 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC[C@@H](O)C2(C)C)C1=O ZINC000334695416 354486978 /nfs/dbraw/zinc/48/69/78/354486978.db2.gz CLLOLLVZCHTOOG-WDEREUQCSA-N 1 0 238.331 0.619 20 30 BCEDRO C[C@H](C#N)NC(=O)C12CCC[NH+]1CCC2 ZINC000335930183 134010186 /nfs/dbraw/zinc/01/01/86/134010186.db2.gz SMDGQVFCXGRNRX-SECBINFHSA-N 1 0 207.277 0.643 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000334701757 354494914 /nfs/dbraw/zinc/49/49/14/354494914.db2.gz PNNBSRUKOSVWKY-NWDGAFQWSA-N 1 0 235.331 0.745 20 30 BCEDRO N#Cc1cccc(C(=O)N2CCC[NH2+]CC2)c1 ZINC000019273989 181135957 /nfs/dbraw/zinc/13/59/57/181135957.db2.gz CSYWUPHCGBWYJO-UHFFFAOYSA-N 1 0 229.283 0.994 20 30 BCEDRO CC[C@H]1CN(CCC#N)CC[N@@H+]1C[C@H](C)O ZINC000330363449 134013953 /nfs/dbraw/zinc/01/39/53/134013953.db2.gz FCQQQAJDVHYQST-RYUDHWBXSA-N 1 0 225.336 0.677 20 30 BCEDRO C=CCOCC(=O)NC1CC([NH+](C)C)C1 ZINC000622010223 370662455 /nfs/dbraw/zinc/66/24/55/370662455.db2.gz ZSIJFEQAYHWJFZ-UHFFFAOYSA-N 1 0 212.293 0.398 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000335140583 354844314 /nfs/dbraw/zinc/84/43/14/354844314.db2.gz XJHMPCHYBPNWRN-MNOVXSKESA-N 1 0 221.304 0.403 20 30 BCEDRO C#CCNC(=O)[C@]1([NH+](C)C)CCCSC1 ZINC000366927062 354858273 /nfs/dbraw/zinc/85/82/73/354858273.db2.gz XZHHFVKSTGYPRF-NSHDSACASA-N 1 0 226.345 0.563 20 30 BCEDRO C=CCOCCCN1C[C@@H](F)C[C@@H]1C(N)=O ZINC000346085996 354863101 /nfs/dbraw/zinc/86/31/01/354863101.db2.gz MLCPMWVIKNZZEI-VHSXEESVSA-N 1 0 230.283 0.477 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000346311149 354892994 /nfs/dbraw/zinc/89/29/94/354892994.db2.gz LCRMGISQUQGUNX-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO C[C@H]1C[C@H]([NH+]2CCCC2)CN1C(=O)CC#N ZINC000335952725 134022125 /nfs/dbraw/zinc/02/21/25/134022125.db2.gz HABHGEUROZSADH-QWRGUYRKSA-N 1 0 221.304 0.985 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)[C@H]1CC[N@H+](C)C[C@H]1C ZINC000346416511 354951464 /nfs/dbraw/zinc/95/14/64/354951464.db2.gz SKTMDBNFMGOEKS-MXWKQRLJSA-N 1 0 223.320 0.945 20 30 BCEDRO C[C@@H](CO)[N@@H+]1CCCN(CCC#N)CC1 ZINC000346662364 355005594 /nfs/dbraw/zinc/00/55/94/355005594.db2.gz BRJUSAOFZWCDOG-NSHDSACASA-N 1 0 211.309 0.289 20 30 BCEDRO [NH2+]=C(NCC1CCC1)NCC(F)(F)CO ZINC000184823646 181179088 /nfs/dbraw/zinc/17/90/88/181179088.db2.gz CVVMSYHLVPCZQK-UHFFFAOYSA-N 1 0 221.251 0.318 20 30 BCEDRO C[N@@H+]1CC[C@@H]2[C@H](CCCN2C(=O)CC#N)C1 ZINC000335280320 355244682 /nfs/dbraw/zinc/24/46/82/355244682.db2.gz MYVFKURPXHPNFJ-GHMZBOCLSA-N 1 0 221.304 0.843 20 30 BCEDRO CC[C@@H](C(=O)N[C@H](C#N)C(C)C)[NH+](C)C ZINC000413396811 191376161 /nfs/dbraw/zinc/37/61/61/191376161.db2.gz FORXVWZOUPYESR-ZJUUUORDSA-N 1 0 211.309 0.991 20 30 BCEDRO C=C(Cl)CN1CCCN(C(N)=O)CC1 ZINC000102190694 355356811 /nfs/dbraw/zinc/35/68/11/355356811.db2.gz LTAKCAQNJOFFPN-UHFFFAOYSA-N 1 0 217.700 0.825 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000105063613 355601269 /nfs/dbraw/zinc/60/12/69/355601269.db2.gz UZOOELQWGTVQQP-SNVBAGLBSA-N 1 0 209.293 0.355 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105063614 355601294 /nfs/dbraw/zinc/60/12/94/355601294.db2.gz UZOOELQWGTVQQP-JTQLQIEISA-N 1 0 209.293 0.355 20 30 BCEDRO CCc1nn(C[C@H](C)[NH3+])c(=O)c(C#N)c1CC ZINC000582179753 355627093 /nfs/dbraw/zinc/62/70/93/355627093.db2.gz VOIAIFCPJQTNCV-QMMMGPOBSA-N 1 0 234.303 0.587 20 30 BCEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)[C@H](C)C#N ZINC000335870764 355637084 /nfs/dbraw/zinc/63/70/84/355637084.db2.gz BHHMNIGTTZNMHF-GHMZBOCLSA-N 1 0 223.320 0.945 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H]([NH+](C)C)C1 ZINC000109804273 355858852 /nfs/dbraw/zinc/85/88/52/355858852.db2.gz CYZMHFVLZFLCHN-NSHDSACASA-N 1 0 225.336 0.315 20 30 BCEDRO CCNC(=O)N1CC[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000329209168 355903791 /nfs/dbraw/zinc/90/37/91/355903791.db2.gz YYMLVMIBSMGYMY-SNVBAGLBSA-N 1 0 241.335 0.621 20 30 BCEDRO CN(C(=O)NC[C@H]1CCC[N@@H+]1C)C1CC(O)C1 ZINC000329451893 355922489 /nfs/dbraw/zinc/92/24/89/355922489.db2.gz CULSBARFWFNTJQ-KPPDAEKUSA-N 1 0 241.335 0.450 20 30 BCEDRO O=C(NCC[NH+]1CCC1)N[C@@H]1CCCOCC1 ZINC000329517230 355927361 /nfs/dbraw/zinc/92/73/61/355927361.db2.gz ZAURZLNTXQCWME-LLVKDONJSA-N 1 0 241.335 0.765 20 30 BCEDRO CC(C)OC(=O)CCNC1=[NH+]C[C@@H](C)N1 ZINC000262682502 535293129 /nfs/dbraw/zinc/29/31/29/535293129.db2.gz WVLPTDUJTHWBEI-MRVPVSSYSA-N 1 0 213.281 0.265 20 30 BCEDRO CN1CCO[C@H](C(=O)NCCC2(O)CCC2)C1 ZINC000329147374 355899199 /nfs/dbraw/zinc/89/91/99/355899199.db2.gz OYPAMOYXGLDXNG-JTQLQIEISA-N 1 0 242.319 0.579 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417897215 191939721 /nfs/dbraw/zinc/93/97/21/191939721.db2.gz XKXXGQDXYYCEIF-UWVGGRQHSA-N 1 0 229.324 0.614 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000417897208 191939890 /nfs/dbraw/zinc/93/98/90/191939890.db2.gz XKXXGQDXYYCEIF-NXEZZACHSA-N 1 0 229.324 0.614 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000617551197 356106972 /nfs/dbraw/zinc/10/69/72/356106972.db2.gz NDBGLNRVGZZOBU-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000418134135 191985417 /nfs/dbraw/zinc/98/54/17/191985417.db2.gz MALLMJHKMZFOOJ-WDEREUQCSA-N 1 0 241.335 0.616 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)CC[NH3+] ZINC000418246471 192004960 /nfs/dbraw/zinc/00/49/60/192004960.db2.gz FWIWSFYZATYVDA-BBBLOLIVSA-N 1 0 227.308 0.366 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[NH2+]C ZINC000418248656 192006123 /nfs/dbraw/zinc/00/61/23/192006123.db2.gz ILKVOTRVWSBZLK-ZJUUUORDSA-N 1 0 227.308 0.239 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCC[C@H](C)[NH3+] ZINC000418260397 192006553 /nfs/dbraw/zinc/00/65/53/192006553.db2.gz YAZMODZKMBQZQJ-AEJSXWLSSA-N 1 0 227.308 0.366 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418253642 192008750 /nfs/dbraw/zinc/00/87/50/192008750.db2.gz ZGZQLCCEMVRMTL-JTQLQIEISA-N 1 0 211.309 0.989 20 30 BCEDRO CC[C@@H]([NH3+])CNC(=O)NCC(C)(C)CC#N ZINC000418273831 192011209 /nfs/dbraw/zinc/01/12/09/192011209.db2.gz CBJLPJQNRSMDJN-SECBINFHSA-N 1 0 226.324 0.963 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@]2(C#N)CC2(C)C)C1 ZINC000336103313 134084300 /nfs/dbraw/zinc/08/43/00/134084300.db2.gz ZOQSCCHLYWFSDT-JOYOIKCWSA-N 1 0 221.304 0.747 20 30 BCEDRO C=CCCNC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000617616876 356191792 /nfs/dbraw/zinc/19/17/92/356191792.db2.gz LELALNSTEAKSDR-LLVKDONJSA-N 1 0 223.320 0.069 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)NC(=O)NCC(C)(C)CC#N ZINC000418292675 192017371 /nfs/dbraw/zinc/01/73/71/192017371.db2.gz OKSJNJOWAWNIDX-IUCAKERBSA-N 1 0 226.324 0.961 20 30 BCEDRO COCCCNC(=O)NC1CC[NH+](C)CC1 ZINC000330461363 134089317 /nfs/dbraw/zinc/08/93/17/134089317.db2.gz RZQBBOQGFKDXNT-UHFFFAOYSA-N 1 0 229.324 0.621 20 30 BCEDRO C=CCN1CC[C@H](N2CCCC[C@@H]2C[NH3+])C1=O ZINC000420288435 192202013 /nfs/dbraw/zinc/20/20/13/192202013.db2.gz HAAARLBAAVMKLP-NEPJUHHUSA-N 1 0 237.347 0.587 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000420293624 192203227 /nfs/dbraw/zinc/20/32/27/192203227.db2.gz RIMBIDNHCCRTJF-AGIUHOORSA-N 1 0 249.358 0.600 20 30 BCEDRO C=CCNC(=O)CN1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420347465 192217570 /nfs/dbraw/zinc/21/75/70/192217570.db2.gz GUCAANZJONNCTQ-PHIMTYICSA-N 1 0 223.320 0.115 20 30 BCEDRO C=CCN1CC[C@H](N[C@@H](C[NH3+])C(C)(C)C)C1=O ZINC000420364914 192223738 /nfs/dbraw/zinc/22/37/38/192223738.db2.gz PNQJLNCUSKQATP-QWRGUYRKSA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCNC(=O)CN[C@H](C[NH3+])C1CCCCC1 ZINC000420365849 192224015 /nfs/dbraw/zinc/22/40/15/192224015.db2.gz SUKOLTIWVPQLFK-GFCCVEGCSA-N 1 0 239.363 0.786 20 30 BCEDRO C=CCCS(=O)(=O)N(C)C1(C[NH3+])CCC1 ZINC000420455247 192243526 /nfs/dbraw/zinc/24/35/26/192243526.db2.gz ZHNSXOFMKXPGFP-UHFFFAOYSA-N 1 0 232.349 0.706 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000420462911 192243904 /nfs/dbraw/zinc/24/39/04/192243904.db2.gz IJYVJVFMCDZSSG-GHMZBOCLSA-N 1 0 246.376 0.999 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000420471073 192244259 /nfs/dbraw/zinc/24/42/59/192244259.db2.gz AETASCPILWZMRE-GHMZBOCLSA-N 1 0 246.376 0.809 20 30 BCEDRO C[C@H]1CN(C(=O)c2cccc(C#N)c2)CC[NH2+]1 ZINC000088059057 356473614 /nfs/dbraw/zinc/47/36/14/356473614.db2.gz LEMKYVOIJFKPST-JTQLQIEISA-N 1 0 229.283 0.992 20 30 BCEDRO C=CCNC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000420756701 192258074 /nfs/dbraw/zinc/25/80/74/192258074.db2.gz DEPVEUDIDLDFJD-SNVBAGLBSA-N 1 0 211.309 0.908 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000578132127 366294027 /nfs/dbraw/zinc/29/40/27/366294027.db2.gz PANRKMXUFSENGW-NXEZZACHSA-N 1 0 235.349 0.194 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000578132130 366294184 /nfs/dbraw/zinc/29/41/84/366294184.db2.gz PANRKMXUFSENGW-ZJUUUORDSA-N 1 0 235.349 0.194 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207151 363502893 /nfs/dbraw/zinc/50/28/93/363502893.db2.gz PADWXNMXLJMCEJ-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C[C@H]1C[C@]1(C#N)C(=O)N1CCN(C2CC2)CC1 ZINC000336244682 134140752 /nfs/dbraw/zinc/14/07/52/134140752.db2.gz LKSZYTGNYQNYSL-GXFFZTMASA-N 1 0 233.315 0.843 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639714853 356616923 /nfs/dbraw/zinc/61/69/23/356616923.db2.gz WYMUCDZMJKVDQI-SECBINFHSA-N 1 0 233.271 0.700 20 30 BCEDRO C[N@@H+]1CCC[C@]2(CCN(C(=O)CC#N)C2)C1 ZINC000336436527 134147191 /nfs/dbraw/zinc/14/71/91/134147191.db2.gz JPJGAOUUAKPQHP-LBPRGKRZSA-N 1 0 221.304 0.844 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000352452226 134145635 /nfs/dbraw/zinc/14/56/35/134145635.db2.gz CMVNEMPNFJMREP-GFCCVEGCSA-N 1 0 244.298 0.904 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC(OC)CC1 ZINC000053897988 363556805 /nfs/dbraw/zinc/55/68/05/363556805.db2.gz NACZSAOVIYWLQD-SNVBAGLBSA-N 1 0 226.320 0.788 20 30 BCEDRO C[C@@H](C#N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609921752 356654817 /nfs/dbraw/zinc/65/48/17/356654817.db2.gz ADWBSNFMPZLCID-GXSJLCMTSA-N 1 0 221.304 0.747 20 30 BCEDRO N#Cc1cccnc1N1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000088287389 356655398 /nfs/dbraw/zinc/65/53/98/356655398.db2.gz MKBMHRBJNXATAL-GHMZBOCLSA-N 1 0 214.272 0.609 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000639762955 356687822 /nfs/dbraw/zinc/68/78/22/356687822.db2.gz OYJOTKOOGODISA-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@@H]1C(C)C ZINC000305078912 134159832 /nfs/dbraw/zinc/15/98/32/134159832.db2.gz LXCUQBLXNYDLCO-NEPJUHHUSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H]1C(C)(C)O ZINC000305155731 134160143 /nfs/dbraw/zinc/16/01/43/134160143.db2.gz CGGYWRHEJSQWKZ-JTQLQIEISA-N 1 0 226.320 0.524 20 30 BCEDRO C=CC1CC[NH+](CC(=O)NCC(=O)OC)CC1 ZINC000111693111 134160899 /nfs/dbraw/zinc/16/08/99/134160899.db2.gz NQQMEWXUERJXHK-UHFFFAOYSA-N 1 0 240.303 0.174 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000354341164 134167752 /nfs/dbraw/zinc/16/77/52/134167752.db2.gz SPGQMZUNRRHVFZ-VXGBXAGGSA-N 1 0 241.335 0.355 20 30 BCEDRO C=CCCOCCNC(=O)N[C@H](C)C[NH+](C)C ZINC000354640767 134169430 /nfs/dbraw/zinc/16/94/30/134169430.db2.gz XNNIDKAEDPONFB-LLVKDONJSA-N 1 0 243.351 0.828 20 30 BCEDRO C=CCOCC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000355629323 134174262 /nfs/dbraw/zinc/17/42/62/134174262.db2.gz KVPNFJBMUMQWJU-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCOCC[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639850923 356854516 /nfs/dbraw/zinc/85/45/16/356854516.db2.gz XWPNBXSHJUTSOY-GHMZBOCLSA-N 1 0 215.293 0.007 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](O)C[C@]1(C)CO ZINC000639852616 356856134 /nfs/dbraw/zinc/85/61/34/356856134.db2.gz UWORAXOYEUGLSS-QJPTWQEYSA-N 1 0 229.320 0.131 20 30 BCEDRO C[NH+](C)CCCNc1ccnc(C#N)n1 ZINC000389721600 356931273 /nfs/dbraw/zinc/93/12/73/356931273.db2.gz PMZQPZNBSDDERG-UHFFFAOYSA-N 1 0 205.265 0.134 20 30 BCEDRO C[C@H](CSc1nnc(CC#N)n1C)[NH+](C)C ZINC000357044214 134181892 /nfs/dbraw/zinc/18/18/92/134181892.db2.gz ACKLBZZMCUBQPM-MRVPVSSYSA-N 1 0 239.348 0.923 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369684877 356991506 /nfs/dbraw/zinc/99/15/06/356991506.db2.gz YHKQBHNWZPYZBC-SDDRHHMPSA-N 1 0 236.315 0.235 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@@H]1Nc1cnc(C#N)cn1 ZINC000389730107 357022056 /nfs/dbraw/zinc/02/20/56/357022056.db2.gz OWABBNYBWOGKNY-WPRPVWTQSA-N 1 0 217.276 0.758 20 30 BCEDRO CC#CCNC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358162372 134186812 /nfs/dbraw/zinc/18/68/12/134186812.db2.gz HRLVCMPPAMNQEM-UHFFFAOYSA-N 1 0 235.331 0.961 20 30 BCEDRO C[N@H+]1CC=C(CNC(=O)NCC2(C#N)CC2)CC1 ZINC000582337655 357078668 /nfs/dbraw/zinc/07/86/68/357078668.db2.gz GAVQQWIOOUUEOC-UHFFFAOYSA-N 1 0 248.330 0.851 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@@H]1Nc1cnc(C#N)cn1 ZINC000389730102 357091411 /nfs/dbraw/zinc/09/14/11/357091411.db2.gz OWABBNYBWOGKNY-SCZZXKLOSA-N 1 0 217.276 0.758 20 30 BCEDRO CC[N@@H+]1CCN(CCOCCC#N)C[C@H]1C ZINC000385305140 357138079 /nfs/dbraw/zinc/13/80/79/357138079.db2.gz LQSCIJSKRJNFFF-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO CC[N@@H+]1CCN(CCOCCC#N)C[C@@H]1C ZINC000385305142 357138170 /nfs/dbraw/zinc/13/81/70/357138170.db2.gz LQSCIJSKRJNFFF-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C[C@H](CO)[C@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000358805298 134192734 /nfs/dbraw/zinc/19/27/34/134192734.db2.gz HMMXCLRARIRANW-VWYCJHECSA-N 1 0 241.335 0.353 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)COC1(C)C[NH2+]C1 ZINC000168755997 357218999 /nfs/dbraw/zinc/21/89/99/357218999.db2.gz MZDTUSLMOUSDIJ-SECBINFHSA-N 1 0 225.292 0.125 20 30 BCEDRO CCC[N@H+](C)CC(=O)N(C)C[C@H](C)C#N ZINC000359334320 134194459 /nfs/dbraw/zinc/19/44/59/134194459.db2.gz SRLZNNWNCJCURS-SNVBAGLBSA-N 1 0 211.309 0.946 20 30 BCEDRO C=C(C)C[N@H+](CC)C[C@@H](O)CN(C)CCOC ZINC000582674942 357361492 /nfs/dbraw/zinc/36/14/92/357361492.db2.gz ZWFCVFIPXGBEAW-ZDUSSCGKSA-N 1 0 244.379 0.824 20 30 BCEDRO CC1(C)C[C@H]([NH2+]CCn2cnc(C#N)n2)CO1 ZINC000582857762 357414860 /nfs/dbraw/zinc/41/48/60/357414860.db2.gz ZAQFXMDGAHCAJG-VIFPVBQESA-N 1 0 235.291 0.307 20 30 BCEDRO CC(=O)N[C@H]1CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000583148891 357495909 /nfs/dbraw/zinc/49/59/09/357495909.db2.gz SHBFPAVPRTUHEE-KOLCDFICSA-N 1 0 209.293 0.889 20 30 BCEDRO CO[C@@H]1CC[N@@H+]([C@H](C)C(=O)N(C)CCC#N)C1 ZINC000361362954 134204452 /nfs/dbraw/zinc/20/44/52/134204452.db2.gz XAXUCUGXPSWEGA-GHMZBOCLSA-N 1 0 239.319 0.468 20 30 BCEDRO N#CCC1CC[NH+](CCN2CCNC2=O)CC1 ZINC000397194340 357507081 /nfs/dbraw/zinc/50/70/81/357507081.db2.gz QOOYFDSWTZFFPX-UHFFFAOYSA-N 1 0 236.319 0.637 20 30 BCEDRO C=CCCC[N@@H+](CCNS(C)(=O)=O)C1CC1 ZINC000361373527 134205188 /nfs/dbraw/zinc/20/51/88/134205188.db2.gz CIKBYPSBQMGUPN-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000361554343 134206496 /nfs/dbraw/zinc/20/64/96/134206496.db2.gz SJZDBRCMQYHQHI-ZYHUDNBSSA-N 1 0 226.320 0.511 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC[C@H]2COCC[C@H]21 ZINC000362449053 134211274 /nfs/dbraw/zinc/21/12/74/134211274.db2.gz NWWPGCBOPIJQBS-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@H]2C1 ZINC000367828830 134216405 /nfs/dbraw/zinc/21/64/05/134216405.db2.gz IMWUPMIGIUEIRD-UWVGGRQHSA-N 1 0 222.288 0.547 20 30 BCEDRO CC(C)(C)[N@@H+]1CC[C@@](F)(C(=O)NCC#N)C1 ZINC000368150344 134217574 /nfs/dbraw/zinc/21/75/74/134217574.db2.gz FKROSDDRFHZOOT-NSHDSACASA-N 1 0 227.283 0.839 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191081695 357748284 /nfs/dbraw/zinc/74/82/84/357748284.db2.gz DUTUVBUCYFJEBA-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H](O)COCC ZINC000191118695 357752119 /nfs/dbraw/zinc/75/21/19/357752119.db2.gz ODVZUYCWMQSYCB-LLVKDONJSA-N 1 0 217.309 0.518 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@@H](O)CSC ZINC000191142055 357753941 /nfs/dbraw/zinc/75/39/41/357753941.db2.gz DJNVTJFUYBNKIA-SNVBAGLBSA-N 1 0 219.350 0.845 20 30 BCEDRO CCS[C@H]1CCC[C@H]1[NH2+]CC(=O)NCC#N ZINC000233841052 357756570 /nfs/dbraw/zinc/75/65/70/357756570.db2.gz DSDTVBCJLRMHPY-ZJUUUORDSA-N 1 0 241.360 0.890 20 30 BCEDRO CNC(=O)[C@@H]([NH2+]Cc1cc(C#N)n(C)c1)C(C)C ZINC000191448468 357770971 /nfs/dbraw/zinc/77/09/71/357770971.db2.gz MWCHHQXKPHSTPI-LBPRGKRZSA-N 1 0 248.330 0.757 20 30 BCEDRO CC#CCNC(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000369850336 134223342 /nfs/dbraw/zinc/22/33/42/134223342.db2.gz FZYRNNIJASZPTR-NEPJUHHUSA-N 1 0 235.331 0.745 20 30 BCEDRO C=CCN(CCOC)C(=O)C[NH+](C)C ZINC000191977661 357818661 /nfs/dbraw/zinc/81/86/61/357818661.db2.gz OHBWDWKFOUAJPC-UHFFFAOYSA-N 1 0 200.282 0.209 20 30 BCEDRO CO[C@H]1C[C@H]([NH2+]CC(=O)NCC#N)C1(C)C ZINC000234794152 357828583 /nfs/dbraw/zinc/82/85/83/357828583.db2.gz GQPUDDKIEZWPNF-IUCAKERBSA-N 1 0 225.292 0.029 20 30 BCEDRO COC[C@@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000234868749 357839382 /nfs/dbraw/zinc/83/93/82/357839382.db2.gz GHDXYDOBBKNCHF-LLVKDONJSA-N 1 0 238.262 0.794 20 30 BCEDRO N#CCSCCC[N@H+]1CCCC[C@@H]1C(N)=O ZINC000074981393 325273410 /nfs/dbraw/zinc/27/34/10/325273410.db2.gz LQEMIPCXZFBDMR-SNVBAGLBSA-N 1 0 241.360 0.973 20 30 BCEDRO C=CCN1CCC[N@@H+](CC(C)(C)O)CC1 ZINC000372557353 134232048 /nfs/dbraw/zinc/23/20/48/134232048.db2.gz ZTSSHUUHNQTESX-UHFFFAOYSA-N 1 0 212.337 0.951 20 30 BCEDRO CC#CC[N@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121551315 134234630 /nfs/dbraw/zinc/23/46/30/134234630.db2.gz WZERKUPHFBZWGP-UHFFFAOYSA-N 1 0 244.360 0.366 20 30 BCEDRO C[C@@H]1C[N@@H+](C2CCN(CC#N)CC2)CCO1 ZINC000373921977 134234946 /nfs/dbraw/zinc/23/49/46/134234946.db2.gz RBNIIBFJMHGXTL-LLVKDONJSA-N 1 0 223.320 0.695 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1c1ccnc(C#N)n1 ZINC000583763687 357938294 /nfs/dbraw/zinc/93/82/94/357938294.db2.gz ICYGAHYFTJQVRP-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639948660 357972265 /nfs/dbraw/zinc/97/22/65/357972265.db2.gz CSVOZTSOMZRIMF-TXEJJXNPSA-N 1 0 222.288 0.547 20 30 BCEDRO Cc1cc(NC(=O)[C@H](C)[NH+](C)C)n(CCC#N)n1 ZINC000610560081 357987320 /nfs/dbraw/zinc/98/73/20/357987320.db2.gz ZAYBRMYDPXKIRH-JTQLQIEISA-N 1 0 249.318 0.994 20 30 BCEDRO C[C@@H](C(=O)NC1(C#N)CCCC1)[NH+](C)C ZINC000610560858 357988118 /nfs/dbraw/zinc/98/81/18/357988118.db2.gz YDQAOOKFIDBJNB-VIFPVBQESA-N 1 0 209.293 0.889 20 30 BCEDRO N#Cc1ccc(C[NH2+]C(CO)CO)c(Cl)c1 ZINC000169018510 358010872 /nfs/dbraw/zinc/01/08/72/358010872.db2.gz UUZDGDIYWDYZJC-UHFFFAOYSA-N 1 0 240.690 0.654 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](OC)C[C@]1(C)CO ZINC000639997922 358034802 /nfs/dbraw/zinc/03/48/02/358034802.db2.gz AHKSQTKMWWVREE-YNEHKIRRSA-N 1 0 243.347 0.785 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000639999521 358036229 /nfs/dbraw/zinc/03/62/29/358036229.db2.gz KHSNQPUVNOZAOL-RYUDHWBXSA-N 1 0 227.304 0.108 20 30 BCEDRO CO/N=C/C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376408001 134242122 /nfs/dbraw/zinc/24/21/22/134242122.db2.gz NYMRRQJXATVWKZ-CHLKDNDDSA-N 1 0 239.319 0.704 20 30 BCEDRO CO/N=C/C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000376407999 134242229 /nfs/dbraw/zinc/24/22/29/134242229.db2.gz NYMRRQJXATVWKZ-BOSVEMQVSA-N 1 0 239.319 0.704 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CCC(CC(N)=O)CC1 ZINC000123079819 134242290 /nfs/dbraw/zinc/24/22/90/134242290.db2.gz RZBMEAIKDNJSPS-GFCCVEGCSA-N 1 0 240.347 0.901 20 30 BCEDRO C=CC[N@H+](CCCC(=O)NC)CCOC ZINC000584537701 358048480 /nfs/dbraw/zinc/04/84/80/358048480.db2.gz QUZZJTYUMKVVAR-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H](OC)C[C@@]1(C)CO ZINC000640005823 358057860 /nfs/dbraw/zinc/05/78/60/358057860.db2.gz SPHKGOBEIRGELM-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1nc(C)no1 ZINC000262010452 535390317 /nfs/dbraw/zinc/39/03/17/535390317.db2.gz TYYMPBPKFUPFTG-UHFFFAOYSA-N 1 0 211.269 0.535 20 30 BCEDRO C[NH2+]CCSCc1ncc(C#N)cn1 ZINC000583869947 358062382 /nfs/dbraw/zinc/06/23/82/358062382.db2.gz POVGJQXMDOAMGY-UHFFFAOYSA-N 1 0 208.290 0.801 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000170742140 134252837 /nfs/dbraw/zinc/25/28/37/134252837.db2.gz LDBIJPBRIRFOHO-GFCCVEGCSA-N 1 0 235.331 0.889 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)CSC ZINC000584593617 358110776 /nfs/dbraw/zinc/11/07/76/358110776.db2.gz JDLZKIKCWCWNBR-VHSXEESVSA-N 1 0 219.350 0.485 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCOC1)N1CCOCC1 ZINC000170908552 134255006 /nfs/dbraw/zinc/25/50/06/134255006.db2.gz LIAMAZNJOVPXIY-SNVBAGLBSA-N 1 0 227.308 0.060 20 30 BCEDRO CCC[N@@H+]1CC[C@H](CNc2ncncc2C#N)C1 ZINC000584745768 358164599 /nfs/dbraw/zinc/16/45/99/358164599.db2.gz QRYJUCQWTRMETH-LLVKDONJSA-N 1 0 245.330 0.914 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](CCC)C1CC1 ZINC000171681943 134259945 /nfs/dbraw/zinc/25/99/45/134259945.db2.gz CJBCPDACOHPDQI-UHFFFAOYSA-N 1 0 239.319 0.873 20 30 BCEDRO C[C@H](c1ccccc1)[C@H](O)C[NH2+]CC#CCO ZINC000584839568 358198931 /nfs/dbraw/zinc/19/89/31/358198931.db2.gz QWAKPFRJDQRPPN-TZMCWYRMSA-N 1 0 233.311 0.736 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@@H](CO)C2)n1 ZINC000602722682 491125010 /nfs/dbraw/zinc/12/50/10/491125010.db2.gz BIBORLXOQHNBSX-WVSHTKLVSA-N 1 0 217.272 0.814 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](O)c1ccccc1F ZINC000264084005 535423456 /nfs/dbraw/zinc/42/34/56/535423456.db2.gz IJNDQWSODSTGOF-SNVBAGLBSA-N 1 0 225.267 0.783 20 30 BCEDRO CCNC(=[NH2+])NC[C@]1(O)CCc2ccccc21 ZINC000269725161 535422842 /nfs/dbraw/zinc/42/28/42/535422842.db2.gz WGHRMWVFKSXNSV-CYBMUJFWSA-N 1 0 233.315 0.745 20 30 BCEDRO CCOCC(C)(C)CNC1=[NH+]CCN1C ZINC000261538607 535423066 /nfs/dbraw/zinc/42/30/66/535423066.db2.gz YSIMHMJNFHHRFF-UHFFFAOYSA-N 1 0 213.325 0.940 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](O)C1(C)C ZINC000228861231 358387106 /nfs/dbraw/zinc/38/71/06/358387106.db2.gz WBVWELKJJFZCAZ-IVZWLZJFSA-N 1 0 226.320 0.426 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCOCCOC ZINC000044725165 358392533 /nfs/dbraw/zinc/39/25/33/358392533.db2.gz UHTIZVXIGYKVBS-SNVBAGLBSA-N 1 0 200.282 0.931 20 30 BCEDRO N#Cc1ccc(S(=O)(=O)NCCC[NH3+])s1 ZINC000230331615 358397503 /nfs/dbraw/zinc/39/75/03/358397503.db2.gz WPEAXMKHUAREGU-UHFFFAOYSA-N 1 0 245.329 0.247 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000425056419 358515884 /nfs/dbraw/zinc/51/58/84/358515884.db2.gz KIGMBQPRULIXCD-OUAUKWLOSA-N 1 0 221.304 0.699 20 30 BCEDRO COCCN(CCC#N)C(=O)[C@H](C)[NH+](C)C ZINC000610987898 358422193 /nfs/dbraw/zinc/42/21/93/358422193.db2.gz KYSBKVKVYZKLCJ-JTQLQIEISA-N 1 0 227.308 0.325 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](C)(O)CC1 ZINC000300311129 358433643 /nfs/dbraw/zinc/43/36/43/358433643.db2.gz RHVRQEPSGXBAHI-YPMHNXCESA-N 1 0 238.331 0.361 20 30 BCEDRO C=CC[N@@H+](C)CCCS(=O)(=O)N(C)C ZINC000127150091 358560377 /nfs/dbraw/zinc/56/03/77/358560377.db2.gz JMAZNIQEKCVWDX-UHFFFAOYSA-N 1 0 220.338 0.386 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000128470247 358576161 /nfs/dbraw/zinc/57/61/61/358576161.db2.gz QAIKVHIVXUGOFD-NXEZZACHSA-N 1 0 211.309 0.954 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000128469591 358576309 /nfs/dbraw/zinc/57/63/09/358576309.db2.gz QAIKVHIVXUGOFD-UWVGGRQHSA-N 1 0 211.309 0.954 20 30 BCEDRO N#CCN1CC[C@@H](C[NH+]2CCOCC2)C1 ZINC000129178057 358583652 /nfs/dbraw/zinc/58/36/52/358583652.db2.gz XCBWCGYENVOHEG-LLVKDONJSA-N 1 0 209.293 0.164 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613665085 363615538 /nfs/dbraw/zinc/61/55/38/363615538.db2.gz GEAXEEWXHCUFLM-BBBLOLIVSA-N 1 0 212.293 0.132 20 30 BCEDRO C[C@@H](O)C[N@H+](C)CC(=O)N[C@@](C)(C#N)C1CC1 ZINC000051821619 358763915 /nfs/dbraw/zinc/76/39/15/358763915.db2.gz FQODPPWTGPGJIR-SKDRFNHKSA-N 1 0 239.319 0.107 20 30 BCEDRO C[C@@H](O)C[N@H+](C)CCC(=O)N(C)CCC#N ZINC000051819954 358764441 /nfs/dbraw/zinc/76/44/41/358764441.db2.gz PKDMAYNAQRJMQQ-SNVBAGLBSA-N 1 0 227.308 0.061 20 30 BCEDRO COCC#CC[NH2+][C@H]1CCCn2nccc21 ZINC000640221400 358891529 /nfs/dbraw/zinc/89/15/29/358891529.db2.gz WVMMKOPBGUFWQU-NSHDSACASA-N 1 0 219.288 0.957 20 30 BCEDRO C[C@@H](Cn1cccn1)[NH2+]CCn1cnc(C#N)n1 ZINC000353948856 358909533 /nfs/dbraw/zinc/90/95/33/358909533.db2.gz XTPQCHNPVFQZQP-JTQLQIEISA-N 1 0 245.290 0.025 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCN(CCC#N)CC1 ZINC000611175974 358935220 /nfs/dbraw/zinc/93/52/20/358935220.db2.gz PRTRKKAOJHRZFE-ZDUSSCGKSA-N 1 0 237.347 0.845 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H](C[N@@H+](C)CC)C1 ZINC000072858318 359091165 /nfs/dbraw/zinc/09/11/65/359091165.db2.gz HDOUETOBVWKKSB-GFCCVEGCSA-N 1 0 239.363 0.562 20 30 BCEDRO CC#CCN1CCO[C@H]([C@H]2CCCO2)C1 ZINC000246988571 359181910 /nfs/dbraw/zinc/18/19/10/359181910.db2.gz GMKQBXVZCCZOCJ-NEPJUHHUSA-N 1 0 209.289 0.890 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000247500776 359228715 /nfs/dbraw/zinc/22/87/15/359228715.db2.gz XOYLGRCCYBSHIN-WCQYABFASA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C(=O)OC)C1 ZINC000611237439 359204842 /nfs/dbraw/zinc/20/48/42/359204842.db2.gz KECJAULFBPEMGF-ZJUUUORDSA-N 1 0 213.277 0.418 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@](C)(C(=O)OC)C1 ZINC000611237489 359205197 /nfs/dbraw/zinc/20/51/97/359205197.db2.gz LCDOZVYZQXJBLS-JQWIXIFHSA-N 1 0 227.304 0.808 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000611237491 359205224 /nfs/dbraw/zinc/20/52/24/359205224.db2.gz LCDOZVYZQXJBLS-ZYHUDNBSSA-N 1 0 227.304 0.808 20 30 BCEDRO Cn1nnnc1CC[NH2+]Cc1ccc(C#N)o1 ZINC000611314578 359311595 /nfs/dbraw/zinc/31/15/95/359311595.db2.gz MKSRAMGWOPVTFA-UHFFFAOYSA-N 1 0 232.247 0.007 20 30 BCEDRO COCC#CCN1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000611432593 359364134 /nfs/dbraw/zinc/36/41/34/359364134.db2.gz UFWQZDHVGOCPNK-NEPJUHHUSA-N 1 0 242.388 0.614 20 30 BCEDRO COCC#CC[NH2+][C@H]1CCC[C@@H]1CCO ZINC000308904091 491140018 /nfs/dbraw/zinc/14/00/18/491140018.db2.gz CBPKHHHWXAUYGN-NEPJUHHUSA-N 1 0 211.305 0.777 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CSC[C@H]1C ZINC000285880724 359327878 /nfs/dbraw/zinc/32/78/78/359327878.db2.gz JJVXZTLPTKBDTE-BDAKNGLRSA-N 1 0 214.334 0.630 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)N1CC=CCC1 ZINC000611517324 359386666 /nfs/dbraw/zinc/38/66/66/359386666.db2.gz QFHXGKXQODUKID-SNVBAGLBSA-N 1 0 237.303 0.649 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000611731205 359435878 /nfs/dbraw/zinc/43/58/78/359435878.db2.gz CTZZEZYCHYPZLF-OUAUKWLOSA-N 1 0 224.304 0.228 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000611731223 359436046 /nfs/dbraw/zinc/43/60/46/359436046.db2.gz CTZZEZYCHYPZLF-VWYCJHECSA-N 1 0 224.304 0.228 20 30 BCEDRO C=CCOc1cccnc1C(=O)N[C@H](C)C[NH3+] ZINC000423536392 192804543 /nfs/dbraw/zinc/80/45/43/192804543.db2.gz HSBSXRZPXSDWCX-SECBINFHSA-N 1 0 235.287 0.723 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@]1([NH+](C)C)CCSC1 ZINC000611923339 359483895 /nfs/dbraw/zinc/48/38/95/359483895.db2.gz AJKRPVXLHJOGJU-ONGXEEELSA-N 1 0 244.360 0.087 20 30 BCEDRO CO[C@@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC000611943536 359489085 /nfs/dbraw/zinc/48/90/85/359489085.db2.gz MPPDOTMAZYIIGB-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO Cn1cc(C[N@@H+]2CCC[C@@H](C(N)=O)C2)cc1C#N ZINC000191149059 359533843 /nfs/dbraw/zinc/53/38/43/359533843.db2.gz ODVBHEQROUYYQF-LLVKDONJSA-N 1 0 246.314 0.594 20 30 BCEDRO CC(=O)N[C@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000228261155 359603417 /nfs/dbraw/zinc/60/34/17/359603417.db2.gz YBNHWGOMHPXGOP-NSHDSACASA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCCn1cc(C(=O)N2CCC[C@H]2C[NH3+])nn1 ZINC000424076014 192860570 /nfs/dbraw/zinc/86/05/70/192860570.db2.gz KUGCFCRMFRHAAZ-JTQLQIEISA-N 1 0 249.318 0.418 20 30 BCEDRO CCN(CCO)CC[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000249038713 359629151 /nfs/dbraw/zinc/62/91/51/359629151.db2.gz UAYUGOKXBIIAJH-CHWSQXEVSA-N 1 0 239.363 0.973 20 30 BCEDRO N#CCc1ccc(C[N@H+]2C[C@H](O)C[C@H](O)C2)cc1 ZINC000612085582 359642720 /nfs/dbraw/zinc/64/27/20/359642720.db2.gz ZHSLNZRBRYQDPS-OKILXGFUSA-N 1 0 246.310 0.680 20 30 BCEDRO C[C@@H]1C[N@H+](CCO)CCN1c1cc(C#N)ccn1 ZINC000450952199 202319893 /nfs/dbraw/zinc/31/98/93/202319893.db2.gz HJKNDMNYJOVCRG-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO C[NH+](C)CC(=O)N1CCC[C@](C)(C#N)C1 ZINC000612397349 359828853 /nfs/dbraw/zinc/82/88/53/359828853.db2.gz GSDAWFAHZDQZSB-LLVKDONJSA-N 1 0 209.293 0.700 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C[N@H+]1CCC(C)(C)C1 ZINC000578451991 366573855 /nfs/dbraw/zinc/57/38/55/366573855.db2.gz VZPSIPVRWGRLDZ-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)COCCNC(=O)C1([NH+](C)C)CC1 ZINC000612437094 359841178 /nfs/dbraw/zinc/84/11/78/359841178.db2.gz ZMTNYGAGMDIGGY-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO CC#CCC[N@H+](C)[C@H]1CCN2CCO[C@H]1C2 ZINC000451136233 202362031 /nfs/dbraw/zinc/36/20/31/202362031.db2.gz FEUHRBMNFZOMSL-STQMWFEESA-N 1 0 222.332 0.805 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000613967812 363692731 /nfs/dbraw/zinc/69/27/31/363692731.db2.gz KNHFSSQABNFFPJ-MNOVXSKESA-N 1 0 226.320 0.332 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000613966554 363692841 /nfs/dbraw/zinc/69/28/41/363692841.db2.gz BPBRXHNXQGEBGI-DGCLKSJQSA-N 1 0 240.347 0.722 20 30 BCEDRO C[C@H](C#N)S(=O)(=O)NCC(C)(C)C[NH+](C)C ZINC000088474855 359956475 /nfs/dbraw/zinc/95/64/75/359956475.db2.gz FOMBKOBUPUUJSW-SECBINFHSA-N 1 0 247.364 0.406 20 30 BCEDRO CN(C)c1ncc(CNCC2(C#N)CC2)cn1 ZINC000578708059 366628379 /nfs/dbraw/zinc/62/83/79/366628379.db2.gz UHKQXDVRMDSASB-UHFFFAOYSA-N 1 0 231.303 0.936 20 30 BCEDRO C#CCN(CC)C(=O)NCCC[NH2+]C1CC1 ZINC000491752208 259510340 /nfs/dbraw/zinc/51/03/40/259510340.db2.gz VRZHJPZOFQYDQQ-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000092631500 360185981 /nfs/dbraw/zinc/18/59/81/360185981.db2.gz BLNNBIBUHFCIJW-UWVGGRQHSA-N 1 0 245.348 0.254 20 30 BCEDRO CC#CCC[NH+]1CCN(CCC#N)CC1 ZINC000613175120 360477783 /nfs/dbraw/zinc/47/77/83/360477783.db2.gz JDPRJNIZPNZLCF-UHFFFAOYSA-N 1 0 205.305 0.931 20 30 BCEDRO C=CC[C@H](C)NC(=O)C[NH2+]CCOC ZINC000158395205 360502015 /nfs/dbraw/zinc/50/20/15/360502015.db2.gz GCZNILUHISGXCK-VIFPVBQESA-N 1 0 200.282 0.303 20 30 BCEDRO CCO[C@@H]1COCC[C@H]1[NH2+]CC#CCOC ZINC000309489669 491149672 /nfs/dbraw/zinc/14/96/72/491149672.db2.gz WQPNZVASJVVARI-VXGBXAGGSA-N 1 0 227.304 0.420 20 30 BCEDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CC#CCOC ZINC000309572247 491151972 /nfs/dbraw/zinc/15/19/72/491151972.db2.gz NYEAJYLCGONDDH-WDEREUQCSA-N 1 0 224.304 0.141 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)NCC[N@@H+]1CC[C@@H](O)C1 ZINC000629171978 360919410 /nfs/dbraw/zinc/91/94/10/360919410.db2.gz LRDFJHSTKVQKTH-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO CC#CC[N@H+](C)CC1CCS(=O)(=O)CC1 ZINC000339758797 219878218 /nfs/dbraw/zinc/87/82/18/219878218.db2.gz TXASLBGKOMHDGT-UHFFFAOYSA-N 1 0 229.345 0.766 20 30 BCEDRO C=CCCOCCNC(=O)NCC1([NH3+])CCC1 ZINC000417967302 200824267 /nfs/dbraw/zinc/82/42/67/200824267.db2.gz VGTNFUIKFWEWLF-UHFFFAOYSA-N 1 0 241.335 0.760 20 30 BCEDRO COCC(C)(C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424109089 200860441 /nfs/dbraw/zinc/86/04/41/200860441.db2.gz AMYCKIGLVAPSNE-SECBINFHSA-N 1 0 227.308 0.549 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CCC[N@H+]1C ZINC000629451359 361076242 /nfs/dbraw/zinc/07/62/42/361076242.db2.gz FLJFVBSLLGHJFI-ONGXEEELSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCCn1cc(C(=O)N(C)C2CC([NH3+])C2)nn1 ZINC000424177671 200877654 /nfs/dbraw/zinc/87/76/54/200877654.db2.gz QDWKSUDHSMROGD-UHFFFAOYSA-N 1 0 249.318 0.416 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N(C)[C@@H](C)C[NH3+] ZINC000424083447 200857642 /nfs/dbraw/zinc/85/76/42/200857642.db2.gz XLQDWOOYHMRDOC-AXFHLTTASA-N 1 0 226.320 0.773 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@H]([NH3+])C1 ZINC000424213337 200891099 /nfs/dbraw/zinc/89/10/99/200891099.db2.gz TYIMLPPDRYRUNQ-BJDJZHNGSA-N 1 0 238.331 0.821 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CCC[NH3+] ZINC000424210257 200889628 /nfs/dbraw/zinc/88/96/28/200889628.db2.gz NGMMPOHKFLSEGZ-UWVGGRQHSA-N 1 0 212.293 0.433 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1C[C@H](OC)C[NH2+]1 ZINC000159146790 361223717 /nfs/dbraw/zinc/22/37/17/361223717.db2.gz SFYIOMBOMLEEGO-JGVFFNPUSA-N 1 0 218.684 0.232 20 30 BCEDRO C=CCN(C)C(=O)CN1CC[NH+](CC)CC1 ZINC000428273205 201004416 /nfs/dbraw/zinc/00/44/16/201004416.db2.gz CGKHUSNASKVWHG-UHFFFAOYSA-N 1 0 225.336 0.268 20 30 BCEDRO C=CCCC[N@@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428786473 201042012 /nfs/dbraw/zinc/04/20/12/201042012.db2.gz NOGFVFVCWMKSRX-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000579374891 366774205 /nfs/dbraw/zinc/77/42/05/366774205.db2.gz RKGBVVQSHNAZFV-ZDUSSCGKSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@H]1CCO ZINC000429770343 201131595 /nfs/dbraw/zinc/13/15/95/201131595.db2.gz UFHORBWMKXSBPS-TUAOUCFPSA-N 1 0 240.347 0.818 20 30 BCEDRO C=C[C@@H](C)[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000224555194 491157840 /nfs/dbraw/zinc/15/78/40/491157840.db2.gz UOMCHWADLCVMJQ-SECBINFHSA-N 1 0 232.349 0.575 20 30 BCEDRO C[N@H+](CCN1CCOCC1)[C@H]1CC[C@@H](C#N)C1 ZINC000448524348 201161676 /nfs/dbraw/zinc/16/16/76/201161676.db2.gz HFKUZNPWYGZEPJ-OLZOCXBDSA-N 1 0 237.347 0.943 20 30 BCEDRO COCC#CC[NH2+][C@@H](CO)C1CCOCC1 ZINC000309944276 491158730 /nfs/dbraw/zinc/15/87/30/491158730.db2.gz CSIRILPNPCKLHW-LBPRGKRZSA-N 1 0 227.304 0.013 20 30 BCEDRO C=CCNC(=O)c1ncn([C@@H]2CCC[NH2+]C2)n1 ZINC000433404990 201183769 /nfs/dbraw/zinc/18/37/69/201183769.db2.gz CARZLKKMYDOABU-SECBINFHSA-N 1 0 235.291 0.118 20 30 BCEDRO C=C(C)CS(=O)(=O)NCCC[NH+]1CCCC1 ZINC000435439080 201272053 /nfs/dbraw/zinc/27/20/53/201272053.db2.gz RAHQBRMOAKJMTM-UHFFFAOYSA-N 1 0 246.376 0.968 20 30 BCEDRO CC(C)(C)C[N@H+](CCCO)CC(=O)NCC#N ZINC000066666424 361654866 /nfs/dbraw/zinc/65/48/66/361654866.db2.gz ZXVHBJDQUMWJEX-UHFFFAOYSA-N 1 0 241.335 0.357 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)NCC(C)(C)[NH+](C)C ZINC000448581120 201341358 /nfs/dbraw/zinc/34/13/58/201341358.db2.gz IRZOMDNVJPWPBZ-SKDRFNHKSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627246633 363849693 /nfs/dbraw/zinc/84/96/93/363849693.db2.gz VSQKOPHLLUEVKM-GARJFASQSA-N 1 0 241.335 0.363 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CCC)CC[NH+]1CCCC1 ZINC000614715440 363937706 /nfs/dbraw/zinc/93/77/06/363937706.db2.gz CONFBLKKXOVCQD-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CCC(C)(C)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000614847513 363996016 /nfs/dbraw/zinc/99/60/16/363996016.db2.gz MESFGYNLEJXOTJ-SNVBAGLBSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(C)C(C)(C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000614857629 364012988 /nfs/dbraw/zinc/01/29/88/364012988.db2.gz IBJNTSNKRZDEDJ-JTQLQIEISA-N 1 0 228.336 0.627 20 30 BCEDRO CC#CCNCc1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000630606279 364337456 /nfs/dbraw/zinc/33/74/56/364337456.db2.gz VXLUTZPFLHOLJQ-NSHDSACASA-N 1 0 233.319 0.143 20 30 BCEDRO C=CCNC(=O)Cn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000630610564 364340931 /nfs/dbraw/zinc/34/09/31/364340931.db2.gz MINCNLVWWJLTKV-SNVBAGLBSA-N 1 0 249.318 0.047 20 30 BCEDRO C=CCN(CC=C)C(=O)Cn1ccnc1C[NH3+] ZINC000630584473 364290580 /nfs/dbraw/zinc/29/05/80/364290580.db2.gz RJKDZZFFMYTZKS-UHFFFAOYSA-N 1 0 234.303 0.542 20 30 BCEDRO C[C@@H](CO)[N@H+](C)Cc1ccc(C#N)cn1 ZINC000579489384 366829147 /nfs/dbraw/zinc/82/91/47/366829147.db2.gz RUMXQTPSRVFBGN-VIFPVBQESA-N 1 0 205.261 0.766 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NCc1c[nH]cn1 ZINC000136267648 364468397 /nfs/dbraw/zinc/46/83/97/364468397.db2.gz HNZLFYPTIMZAQS-JTQLQIEISA-N 1 0 206.249 0.966 20 30 BCEDRO N#CCN1CCC([NH2+]CC[C@@H]2CCOC2)CC1 ZINC000615131678 364509709 /nfs/dbraw/zinc/50/97/09/364509709.db2.gz QKNKOXJBGFTGKL-GFCCVEGCSA-N 1 0 237.347 0.991 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(CC#N)C1CC1 ZINC000579549960 366863322 /nfs/dbraw/zinc/86/33/22/366863322.db2.gz SYNFVMSHXJYNPQ-NSHDSACASA-N 1 0 211.309 0.287 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615202929 364625385 /nfs/dbraw/zinc/62/53/85/364625385.db2.gz GZVZPVYFGREPGT-CHWSQXEVSA-N 1 0 238.331 0.478 20 30 BCEDRO C[C@@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(C#N)cc1 ZINC000037749442 364573134 /nfs/dbraw/zinc/57/31/34/364573134.db2.gz ATEUFVREVMFDQD-WQAKAFBOSA-N 1 0 232.283 0.969 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cn(C)nc1C ZINC000289630197 364768999 /nfs/dbraw/zinc/76/89/99/364768999.db2.gz FEGZZFJPVWSEGF-WCBMZHEXSA-N 1 0 209.293 0.926 20 30 BCEDRO CC(C)OC[C@@H](O)C[NH2+]CC1(C#N)CC1 ZINC000573558042 364860768 /nfs/dbraw/zinc/86/07/68/364860768.db2.gz NUVLDTPDYMYXSX-JTQLQIEISA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)SCC[NH2+]C ZINC000573562061 364861970 /nfs/dbraw/zinc/86/19/70/364861970.db2.gz WYJVOKVWZPXZFZ-QMMMGPOBSA-N 1 0 245.348 0.339 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000573596913 364870263 /nfs/dbraw/zinc/87/02/63/364870263.db2.gz PDOXJRLXMSGDHJ-VIFPVBQESA-N 1 0 205.323 0.975 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C#N)cn1 ZINC000573574096 364865805 /nfs/dbraw/zinc/86/58/05/364865805.db2.gz JVPOHWITEAKPDS-SNVBAGLBSA-N 1 0 246.314 0.767 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)[C@H](C)Oc1ccccc1C#N ZINC000573811786 364923175 /nfs/dbraw/zinc/92/31/75/364923175.db2.gz IMYFIWUGQGPWGR-ZJUUUORDSA-N 1 0 247.298 0.789 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]Cc1ccoc1 ZINC000573833835 364927084 /nfs/dbraw/zinc/92/70/84/364927084.db2.gz CSWUMYPIBNSWEX-GFCCVEGCSA-N 1 0 237.303 0.576 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)COc1ccc(C#N)cc1 ZINC000574095876 364986444 /nfs/dbraw/zinc/98/64/44/364986444.db2.gz SQVHRJAZNYKUBA-JTQLQIEISA-N 1 0 247.298 0.791 20 30 BCEDRO N#CCc1cccc(C(=O)N2CC[C@H]([NH3+])C2)c1 ZINC000574409493 365056877 /nfs/dbraw/zinc/05/68/77/365056877.db2.gz OUVTXGXRWDGETO-LBPRGKRZSA-N 1 0 229.283 0.926 20 30 BCEDRO CCN(CCC#N)C(=O)CSCC[NH2+]C ZINC000574635581 365107949 /nfs/dbraw/zinc/10/79/49/365107949.db2.gz PLKWBDPFEZABSR-UHFFFAOYSA-N 1 0 229.349 0.701 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN(C)C[C@H](C)C#N ZINC000379818790 365282110 /nfs/dbraw/zinc/28/21/10/365282110.db2.gz SOZOUENHGQUOHU-GHMZBOCLSA-N 1 0 213.325 0.390 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[NH2+]C[C@](C)(F)C2)n1 ZINC000575357169 365301505 /nfs/dbraw/zinc/30/15/05/365301505.db2.gz MFAKHXTYAZTEIR-LBPRGKRZSA-N 1 0 249.293 0.795 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccncc1 ZINC000575741536 365347830 /nfs/dbraw/zinc/34/78/30/365347830.db2.gz MXTIBJCRFRPDQO-ZDUSSCGKSA-N 1 0 248.330 0.378 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)[C@H]2CCOC2)C1 ZINC000336690408 365355079 /nfs/dbraw/zinc/35/50/79/365355079.db2.gz WEMQHEDLQACDJT-NOOOWODRSA-N 1 0 224.304 0.666 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCN1CCO[C@H](C)C1 ZINC000575759422 365357096 /nfs/dbraw/zinc/35/70/96/365357096.db2.gz SUVWGVMLCPQMMT-VXGBXAGGSA-N 1 0 225.336 0.989 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000336695476 365359652 /nfs/dbraw/zinc/35/96/52/365359652.db2.gz YXBYOBRZAGSYHK-MNOVXSKESA-N 1 0 226.320 0.429 20 30 BCEDRO CCCN1C[C@@H](C[NH2+]CCC#N)CC1=O ZINC000579582717 366888617 /nfs/dbraw/zinc/88/86/17/366888617.db2.gz LGJUUHUYOVEJAH-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCOCC[N@@H+]1CCC[C@@]12CCNC2=O ZINC000575813085 365371720 /nfs/dbraw/zinc/37/17/20/365371720.db2.gz VOHLFBQIPSYWNA-LBPRGKRZSA-N 1 0 224.304 0.544 20 30 BCEDRO C=CCCCCCNC(=O)[C@@H]([NH3+])CC(=O)OC ZINC000576052271 365465938 /nfs/dbraw/zinc/46/59/38/365465938.db2.gz FCXOTWMLJQYKJJ-JTQLQIEISA-N 1 0 242.319 0.739 20 30 BCEDRO CNC(=O)[C@H]1CCC[N@@H+]1CCOCCC#N ZINC000338925224 365441917 /nfs/dbraw/zinc/44/19/17/365441917.db2.gz KRLYWAKEWLKQAG-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO COC(=O)[C@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000338957078 365444194 /nfs/dbraw/zinc/44/41/94/365444194.db2.gz XZRCSYJLDVDOSO-NSHDSACASA-N 1 0 240.303 0.802 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@@H]1CCO ZINC000339098398 365448048 /nfs/dbraw/zinc/44/80/48/365448048.db2.gz CVLSAZMTKCROJE-LLVKDONJSA-N 1 0 212.293 0.763 20 30 BCEDRO CNC(=O)[C@]1(C)CC[N@H+](CCOCCC#N)C1 ZINC000339150499 365450652 /nfs/dbraw/zinc/45/06/52/365450652.db2.gz SWEPWYUMFREIKL-GFCCVEGCSA-N 1 0 239.319 0.375 20 30 BCEDRO C[C@@H]1[C@H](CO)CC[N@@H+]1CCOCCC#N ZINC000339135897 365450868 /nfs/dbraw/zinc/45/08/68/365450868.db2.gz WSYHLMMXHRLLDL-MNOVXSKESA-N 1 0 212.293 0.619 20 30 BCEDRO C=CCOCC(=O)NC(C)(C)CCC[NH3+] ZINC000340137604 365479764 /nfs/dbraw/zinc/47/97/64/365479764.db2.gz MMXNIIRVASASJY-UHFFFAOYSA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@]1(C)CCCO1 ZINC000340339391 365485920 /nfs/dbraw/zinc/48/59/20/365485920.db2.gz TWXGOVDBHMFYAC-PWSUYJOCSA-N 1 0 226.320 0.836 20 30 BCEDRO N#CC1(CNC(=O)NCC[N@H+]2CC=CCC2)CC1 ZINC000579666410 366945240 /nfs/dbraw/zinc/94/52/40/366945240.db2.gz YGCUMSXSEIXQNZ-UHFFFAOYSA-N 1 0 248.330 0.851 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC1CC[NH+](C)CC1 ZINC000182645642 366926257 /nfs/dbraw/zinc/92/62/57/366926257.db2.gz LYOLTQWLIMCACL-SNVBAGLBSA-N 1 0 238.335 0.787 20 30 BCEDRO C[C@H](CNC(=O)NC[C@H](C)C#N)[N@H+](C)C1CC1 ZINC000182644984 366926297 /nfs/dbraw/zinc/92/62/97/366926297.db2.gz VVAXPJAJVNPYJZ-NXEZZACHSA-N 1 0 238.335 0.928 20 30 BCEDRO C[C@@H]([NH2+][C@H]1CC[C@@H](C#N)C1)C(=O)N(C)C ZINC000380246753 366991613 /nfs/dbraw/zinc/99/16/13/366991613.db2.gz OJOJHERJKMLMDX-BBBLOLIVSA-N 1 0 209.293 0.745 20 30 BCEDRO N#CCCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000367453042 367083623 /nfs/dbraw/zinc/08/36/23/367083623.db2.gz XSIALIZNFLZANG-ZYHUDNBSSA-N 1 0 221.304 0.937 20 30 BCEDRO CC#CC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000368497845 367097710 /nfs/dbraw/zinc/09/77/10/367097710.db2.gz BWIKBKRWIFHVAB-CMPLNLGQSA-N 1 0 206.289 0.657 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](CNc2ncncc2C#N)C1 ZINC000580830863 367179920 /nfs/dbraw/zinc/17/99/20/367179920.db2.gz SBQZDAOKMLTWIU-NSHDSACASA-N 1 0 245.330 0.914 20 30 BCEDRO CCS(=O)(=O)NCCC[NH2+][C@@H](C)CC#N ZINC000068615869 370820326 /nfs/dbraw/zinc/82/03/26/370820326.db2.gz VLJRAJHDOSLLTE-VIFPVBQESA-N 1 0 233.337 0.208 20 30 BCEDRO C[C@H]1CN(c2nc3ccccn3c2C#N)C[C@H]1[NH3+] ZINC000580764744 367160293 /nfs/dbraw/zinc/16/02/93/367160293.db2.gz INQGRIOEGDYLFK-VHSXEESVSA-N 1 0 241.298 0.989 20 30 BCEDRO C[C@H]1CN(c2nc3ccccn3c2C#N)C[C@@H]1[NH3+] ZINC000580764743 367160315 /nfs/dbraw/zinc/16/03/15/367160315.db2.gz INQGRIOEGDYLFK-UWVGGRQHSA-N 1 0 241.298 0.989 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCC1(C)CC1 ZINC000580947916 367211785 /nfs/dbraw/zinc/21/17/85/367211785.db2.gz SPGTZVRRBZRDOM-LBPRGKRZSA-N 1 0 239.363 0.973 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NCC[NH2+]CCOC ZINC000581019132 367238179 /nfs/dbraw/zinc/23/81/79/367238179.db2.gz LGBQNLSVYVXKKB-NSHDSACASA-N 1 0 228.336 0.941 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCN1C(=O)N[C@H](C)C1=O ZINC000581319022 367345768 /nfs/dbraw/zinc/34/57/68/367345768.db2.gz ONVKNZHRYMGVPO-RKDXNWHRSA-N 1 0 238.291 0.209 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N[C@@]2(C#N)CCOC2)C1 ZINC000581201329 367293211 /nfs/dbraw/zinc/29/32/11/367293211.db2.gz VKGJCULBCDAWGH-CMPLNLGQSA-N 1 0 237.303 0.127 20 30 BCEDRO C#CC[N@@H+](CC)CCOCC(=O)OCC ZINC000382542596 367535584 /nfs/dbraw/zinc/53/55/84/367535584.db2.gz WDPGQYMWTSJVFO-UHFFFAOYSA-N 1 0 213.277 0.521 20 30 BCEDRO C[NH2+]CCCn1c(C)nc(C#N)c1C#N ZINC000581486916 367517841 /nfs/dbraw/zinc/51/78/41/367517841.db2.gz JEWBSTKSADIWSR-UHFFFAOYSA-N 1 0 203.249 0.544 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[NH2+]CC ZINC000581597859 367623057 /nfs/dbraw/zinc/62/30/57/367623057.db2.gz GIIHVKJGZOJBNQ-MNOVXSKESA-N 1 0 241.335 0.629 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]C[C@@H](O)COC ZINC000566005629 325983045 /nfs/dbraw/zinc/98/30/45/325983045.db2.gz XDHMQYLSIYAUOO-QJPTWQEYSA-N 1 0 229.320 0.565 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)nc2)C1 ZINC000259276072 370890035 /nfs/dbraw/zinc/89/00/35/370890035.db2.gz ZTVICOQTZMRQKA-GFCCVEGCSA-N 1 0 244.298 0.777 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)NCCCCC#N)C1 ZINC000386264867 367942440 /nfs/dbraw/zinc/94/24/40/367942440.db2.gz WYOIDSRNKVYMFV-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@H](CO)C1CCCCC1 ZINC000386407925 367962911 /nfs/dbraw/zinc/96/29/11/367962911.db2.gz WIVQFHJUGNZLJB-LLVKDONJSA-N 1 0 239.319 0.157 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H](C)[C@H](C)O)nn1 ZINC000581938905 367966138 /nfs/dbraw/zinc/96/61/38/367966138.db2.gz AQSFPRBYSSUXAE-IUCAKERBSA-N 1 0 210.281 0.323 20 30 BCEDRO C[C@@H](O)C[N@H+](Cc1ccnc(C#N)c1)[C@H](C)CO ZINC000615465984 367984518 /nfs/dbraw/zinc/98/45/18/367984518.db2.gz NALVIJJQKSPDSW-GHMZBOCLSA-N 1 0 249.314 0.517 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000386688364 368010218 /nfs/dbraw/zinc/01/02/18/368010218.db2.gz JWLILPKTDCOLEI-LBPRGKRZSA-N 1 0 212.337 0.997 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC(C[NH+](C)C)C1 ZINC000615507172 368082256 /nfs/dbraw/zinc/08/22/56/368082256.db2.gz ZQFXNXBHIWKETF-GFCCVEGCSA-N 1 0 226.320 0.334 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(C#N)cc1 ZINC000064615347 368609100 /nfs/dbraw/zinc/60/91/00/368609100.db2.gz KLMONHBVJZRLRS-UHFFFAOYSA-N 1 0 241.294 0.787 20 30 BCEDRO COCCN(CC#N)C(=O)C[N@H+](C)C(C)C ZINC000457185439 203015083 /nfs/dbraw/zinc/01/50/83/203015083.db2.gz VFPBALGBUYDSRO-UHFFFAOYSA-N 1 0 227.308 0.325 20 30 BCEDRO C[NH+](C)CC(C)(C)NC(=O)c1ccc(C#N)[nH]1 ZINC000457198787 203017523 /nfs/dbraw/zinc/01/75/23/203017523.db2.gz BTNMSDIPRVZHED-UHFFFAOYSA-N 1 0 234.303 0.956 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@H](C#N)C2)C1 ZINC000259738556 370936478 /nfs/dbraw/zinc/93/64/78/370936478.db2.gz DQAVRXKEPVXFKU-WDEREUQCSA-N 1 0 237.303 0.079 20 30 BCEDRO CCC[C@H](C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000259754951 370938699 /nfs/dbraw/zinc/93/86/99/370938699.db2.gz FOTFBSIAAXKESG-NXEZZACHSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CC[NH+](CC=C)C[C@@H](O)CN1CCOCC1 ZINC000072751419 368780265 /nfs/dbraw/zinc/78/02/65/368780265.db2.gz XQTGMNJMTCLIDS-CYBMUJFWSA-N 1 0 240.347 0.354 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@@H+](CC)C[C@@H]1CC ZINC000615961106 368795499 /nfs/dbraw/zinc/79/54/99/368795499.db2.gz PZEZGMWJADPHOZ-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C(C)C)C1 ZINC000616155039 368987230 /nfs/dbraw/zinc/98/72/30/368987230.db2.gz IAQHERRCJOLDGV-WDEREUQCSA-N 1 0 226.320 0.474 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[NH+](C)C ZINC000459051609 203228156 /nfs/dbraw/zinc/22/81/56/203228156.db2.gz YCEHHPIWLCNSNO-MNOVXSKESA-N 1 0 241.335 0.581 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000459002516 203220874 /nfs/dbraw/zinc/22/08/74/203220874.db2.gz NWCKJUGDIFQIMV-GFCCVEGCSA-N 1 0 241.335 0.318 20 30 BCEDRO Cc1nnc(N2C[C@@H]3C[NH2+]C[C@H]3C2)c(C#N)c1C ZINC000107571739 369354141 /nfs/dbraw/zinc/35/41/41/369354141.db2.gz IPQQKDYYLHSBDJ-QWRGUYRKSA-N 1 0 243.314 0.621 20 30 BCEDRO C[NH2+]C[C@H](C)CNc1cncc(C#N)n1 ZINC000401458703 369362958 /nfs/dbraw/zinc/36/29/58/369362958.db2.gz OWFCFPACIXIVQK-QMMMGPOBSA-N 1 0 205.265 0.616 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404142762 369421148 /nfs/dbraw/zinc/42/11/48/369421148.db2.gz MQKVQNQQZYLBCB-NSHDSACASA-N 1 0 238.262 0.794 20 30 BCEDRO N#Cc1ccc(C[NH2+]CC[C@@]2(O)CCOC2)o1 ZINC000404233888 369424340 /nfs/dbraw/zinc/42/43/40/369424340.db2.gz RIWCZNZPCDBZKQ-GFCCVEGCSA-N 1 0 236.271 0.782 20 30 BCEDRO CCOC[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000405167052 369448345 /nfs/dbraw/zinc/44/83/45/369448345.db2.gz JNGCYSOSSZEMLY-SECBINFHSA-N 1 0 200.282 0.523 20 30 BCEDRO N#CCCCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405251184 369449123 /nfs/dbraw/zinc/44/91/23/369449123.db2.gz IFEWLXDKZKEMTI-NWDGAFQWSA-N 1 0 223.320 0.431 20 30 BCEDRO CC(C)(C#N)CCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405283774 369451047 /nfs/dbraw/zinc/45/10/47/369451047.db2.gz CXZVTXDWIXNBBK-NWDGAFQWSA-N 1 0 237.347 0.677 20 30 BCEDRO C[C@H](CCC#N)C[N@H+](C)CC(C)(CO)CO ZINC000619568736 369483172 /nfs/dbraw/zinc/48/31/72/369483172.db2.gz ZCTKWVMYGTVZHZ-LLVKDONJSA-N 1 0 228.336 0.849 20 30 BCEDRO C=CCCn1cc(CN2C[C@H]([NH3+])C[C@H]2C)nn1 ZINC000631861957 369473056 /nfs/dbraw/zinc/47/30/56/369473056.db2.gz KCVGJPYSTNXHDA-GHMZBOCLSA-N 1 0 235.335 0.776 20 30 BCEDRO C=CCCn1cc(CN2C[C@@H]([NH3+])C[C@@H]2C)nn1 ZINC000631861959 369473295 /nfs/dbraw/zinc/47/32/95/369473295.db2.gz KCVGJPYSTNXHDA-QWRGUYRKSA-N 1 0 235.335 0.776 20 30 BCEDRO C=CCCn1cc(CN2C[C@@H]([NH3+])C[C@H]2C)nn1 ZINC000631861958 369473416 /nfs/dbraw/zinc/47/34/16/369473416.db2.gz KCVGJPYSTNXHDA-MNOVXSKESA-N 1 0 235.335 0.776 20 30 BCEDRO C[C@@H](C(=O)Nc1cccc(C#N)c1)N(C)CCO ZINC000037855265 369474645 /nfs/dbraw/zinc/47/46/45/369474645.db2.gz WLZMYHSYUXBQJH-JTQLQIEISA-N 1 0 247.298 0.809 20 30 BCEDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]Cc1ccnc(C#N)c1 ZINC000619655522 369509329 /nfs/dbraw/zinc/50/93/29/369509329.db2.gz SVGZETNBBJUKQH-CABZTGNLSA-N 1 0 244.298 0.567 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CCN(CCO)CC2)C1 ZINC000619673342 369522532 /nfs/dbraw/zinc/52/25/32/369522532.db2.gz GXHZFMGVLYWDKL-DGCLKSJQSA-N 1 0 237.347 0.725 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1ncncc1C#N ZINC000600673888 369558431 /nfs/dbraw/zinc/55/84/31/369558431.db2.gz BPPRWROVCCNYDK-VHSXEESVSA-N 1 0 217.276 0.323 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCN2CC[NH2+]CC2)o1 ZINC000600769533 369563619 /nfs/dbraw/zinc/56/36/19/369563619.db2.gz NXSTVLFGPNRWJC-UHFFFAOYSA-N 1 0 234.303 0.146 20 30 BCEDRO CCOC(=O)C[C@H](O)CN(C)C[C@H](C)C#N ZINC000250659839 369569904 /nfs/dbraw/zinc/56/99/04/369569904.db2.gz DTWCNUQPZDONGP-ZJUUUORDSA-N 1 0 228.292 0.392 20 30 BCEDRO CC[NH2+]Cc1cn(-c2ncccc2C#N)nn1 ZINC000600976666 369582399 /nfs/dbraw/zinc/58/23/99/369582399.db2.gz SDRIERUELAARHP-UHFFFAOYSA-N 1 0 228.259 0.643 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2ccc(=O)[nH]c2)n1 ZINC000601119632 369591855 /nfs/dbraw/zinc/59/18/55/369591855.db2.gz CWZKDBVNVIWZNL-UHFFFAOYSA-N 1 0 244.258 0.040 20 30 BCEDRO N#Cc1csc(C[NH2+][C@H]2C[C@@H](CO)C2)n1 ZINC000601139317 369595844 /nfs/dbraw/zinc/59/58/44/369595844.db2.gz ANIZAYPTDZJMTC-OCAPTIKFSA-N 1 0 223.301 0.875 20 30 BCEDRO N#Cc1cc(CN2CC[C@](F)(CO)C2)ccn1 ZINC000619816195 369601169 /nfs/dbraw/zinc/60/11/69/369601169.db2.gz OYVQBKOHGNZZPV-GFCCVEGCSA-N 1 0 235.262 0.860 20 30 BCEDRO N#Cc1cc(N2CC([NH+]3CCCC3)C2)ncn1 ZINC000601193934 369603721 /nfs/dbraw/zinc/60/37/21/369603721.db2.gz SNIRENJDDGSSRN-UHFFFAOYSA-N 1 0 229.287 0.633 20 30 BCEDRO C=CCOCCNC(=O)Cc1[nH]cnc1C ZINC000620162859 369753755 /nfs/dbraw/zinc/75/37/55/369753755.db2.gz VZBDHRNNYHIJJF-UHFFFAOYSA-N 1 0 223.276 0.579 20 30 BCEDRO C=CCCOCC(=O)NCCNc1cc[nH+]cc1 ZINC000620201474 369763889 /nfs/dbraw/zinc/76/38/89/369763889.db2.gz GUGHEJURWIYSBH-UHFFFAOYSA-N 1 0 249.314 0.624 20 30 BCEDRO N#Cc1nccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)n1 ZINC000601981277 369730657 /nfs/dbraw/zinc/73/06/57/369730657.db2.gz UPVNVTRJCBCWOU-UWVGGRQHSA-N 1 0 229.287 0.536 20 30 BCEDRO CCN1C[C@H]([NH2+]Cc2cccc(C#N)n2)CC1=O ZINC000602686037 369839596 /nfs/dbraw/zinc/83/95/96/369839596.db2.gz VGEPRVWICNLIBN-GFCCVEGCSA-N 1 0 244.298 0.664 20 30 BCEDRO C[NH2+]CCOCCNC(=O)c1cccc(C#N)c1 ZINC000602543067 369811097 /nfs/dbraw/zinc/81/10/97/369811097.db2.gz GIEPELVOGJKWLD-UHFFFAOYSA-N 1 0 247.298 0.524 20 30 BCEDRO N#Cc1ccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000602590108 369818563 /nfs/dbraw/zinc/81/85/63/369818563.db2.gz WLRZZQWEIGQUIR-RYUDHWBXSA-N 1 0 227.267 0.745 20 30 BCEDRO C[C@H](O)C[N@H+](C)Cc1cccc(C#N)n1 ZINC000602607440 369826241 /nfs/dbraw/zinc/82/62/41/369826241.db2.gz JWSCAMNPJLSKON-VIFPVBQESA-N 1 0 205.261 0.766 20 30 BCEDRO C[N@@H+]1CC[C@@](O)(CNCc2cccc(C#N)n2)C1 ZINC000602611349 369827408 /nfs/dbraw/zinc/82/74/08/369827408.db2.gz KJWLFGVEOOWXRG-CYBMUJFWSA-N 1 0 246.314 0.109 20 30 BCEDRO CO[C@@H](C[NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC000602652204 369834141 /nfs/dbraw/zinc/83/41/41/369834141.db2.gz AAXAHJFQGNVHTH-JTQLQIEISA-N 1 0 235.291 0.164 20 30 BCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)[C@@H]1CC1(F)F ZINC000602655949 369835028 /nfs/dbraw/zinc/83/50/28/369835028.db2.gz QGWPQOZZRURSBN-YUMQZZPRSA-N 1 0 241.245 0.783 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@H](CC(N)=O)C2)n1 ZINC000602665201 369836807 /nfs/dbraw/zinc/83/68/07/369836807.db2.gz UBMGRMZFXIWWCR-SNVBAGLBSA-N 1 0 244.298 0.651 20 30 BCEDRO N#Cc1ccc(CC(=O)N2CCC[NH2+]CC2)cn1 ZINC000602424305 369787288 /nfs/dbraw/zinc/78/72/88/369787288.db2.gz JKJDCFUHXQBAJA-UHFFFAOYSA-N 1 0 244.298 0.318 20 30 BCEDRO C[C@H]1C[NH2+]CCN1C(=O)Cc1ccc(C#N)nc1 ZINC000602433476 369788320 /nfs/dbraw/zinc/78/83/20/369788320.db2.gz UHPJKGDETZGFGX-JTQLQIEISA-N 1 0 244.298 0.316 20 30 BCEDRO CCN(CC(=O)N(C)C)Cc1cccc(C#N)n1 ZINC000602441220 369788682 /nfs/dbraw/zinc/78/86/82/369788682.db2.gz VCJPWADAFVZWKG-UHFFFAOYSA-N 1 0 246.314 0.863 20 30 BCEDRO N#Cc1ccc(CC(=O)NC[C@H]([NH3+])C2CC2)cn1 ZINC000602481939 369794325 /nfs/dbraw/zinc/79/43/25/369794325.db2.gz DNAGLXDLVREIEH-LBPRGKRZSA-N 1 0 244.298 0.349 20 30 BCEDRO C[N@H+](Cc1cccc(C#N)n1)C1(CO)CC1 ZINC000602713778 369845619 /nfs/dbraw/zinc/84/56/19/369845619.db2.gz CIJBVCPJSJTRMS-UHFFFAOYSA-N 1 0 217.272 0.910 20 30 BCEDRO COC[C@](C)(CO)[NH2+]Cc1ccc(C#N)cn1 ZINC000602931696 369866597 /nfs/dbraw/zinc/86/65/97/369866597.db2.gz JDTCLJNMSPQTHQ-LBPRGKRZSA-N 1 0 235.287 0.440 20 30 BCEDRO C[NH+](C)[C@H]1C[C@H](Nc2ccnc(C#N)n2)C1(C)C ZINC000603407302 369954833 /nfs/dbraw/zinc/95/48/33/369954833.db2.gz QMEPFGHAXPFMOA-UWVGGRQHSA-N 1 0 245.330 0.911 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000568151712 326313793 /nfs/dbraw/zinc/31/37/93/326313793.db2.gz JHOOQLRQQOQZAG-UKKRHICBSA-N 1 0 208.305 0.923 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000620591342 369944429 /nfs/dbraw/zinc/94/44/29/369944429.db2.gz ZLMKGSADEFPBDS-DTWKUNHWSA-N 1 0 235.287 0.178 20 30 BCEDRO CN(CCC[NH3+])C(=O)c1ccc(C#N)cc1 ZINC000161524452 369996885 /nfs/dbraw/zinc/99/68/85/369996885.db2.gz IZNOUBNTVPJCRO-UHFFFAOYSA-N 1 0 217.272 0.979 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H]1CC[NH2+][C@H]1C ZINC000252602270 370073755 /nfs/dbraw/zinc/07/37/55/370073755.db2.gz MZONQZQEZNREGF-UTLUCORTSA-N 1 0 209.293 0.745 20 30 BCEDRO N#Cc1cncnc1N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000310848658 370368131 /nfs/dbraw/zinc/36/81/31/370368131.db2.gz LWPWDTMOLUUCAS-PHIMTYICSA-N 1 0 243.314 0.784 20 30 BCEDRO C=CCCC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000313338294 370580095 /nfs/dbraw/zinc/58/00/95/370580095.db2.gz BBZUOEQRMPWHFS-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C=C(CC)C[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC000313482333 370589866 /nfs/dbraw/zinc/58/98/66/370589866.db2.gz MRMRDNKKXRJXQB-VXGBXAGGSA-N 1 0 231.336 0.955 20 30 BCEDRO C=CCSCCNC(=O)[C@H](C)[NH+](C)C ZINC000078699530 370591581 /nfs/dbraw/zinc/59/15/81/370591581.db2.gz GJRBSPUYYOHKLO-VIFPVBQESA-N 1 0 216.350 0.972 20 30 BCEDRO C[C@@H]1CN(Cc2ccc(C#N)o2)CC[NH2+]1 ZINC000092456961 371099643 /nfs/dbraw/zinc/09/96/43/371099643.db2.gz ZLBSBYFOEQIWGE-SECBINFHSA-N 1 0 205.261 0.945 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)[NH2+]C ZINC000569237471 326396834 /nfs/dbraw/zinc/39/68/34/326396834.db2.gz FUTPDSWDKWVLBG-GUBZILKMSA-N 1 0 212.293 0.302 20 30 BCEDRO C[N@H+](CCO)CCC(=O)Nc1cccc(C#N)c1 ZINC000037899269 371288070 /nfs/dbraw/zinc/28/80/70/371288070.db2.gz MGYZOEGOGXBKSZ-UHFFFAOYSA-N 1 0 247.298 0.811 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000226030345 371600858 /nfs/dbraw/zinc/60/08/58/371600858.db2.gz DAUFLFGUYRFRTH-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC(C)[C@@H](C(=O)N1CCO[C@@H](C#N)C1)[NH+](C)C ZINC000133392686 372035752 /nfs/dbraw/zinc/03/57/52/372035752.db2.gz MVWAPMKOMGIMSS-QWRGUYRKSA-N 1 0 239.319 0.324 20 30 BCEDRO C#C[C@@H](C)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000229532139 372161644 /nfs/dbraw/zinc/16/16/44/372161644.db2.gz MSQNQQXUQLCOHJ-BDAKNGLRSA-N 1 0 201.291 0.175 20 30 BCEDRO C#C[C@@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000229532121 372161835 /nfs/dbraw/zinc/16/18/35/372161835.db2.gz MSQNQQXUQLCOHJ-RKDXNWHRSA-N 1 0 201.291 0.175 20 30 BCEDRO CC[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000066472017 372314833 /nfs/dbraw/zinc/31/48/33/372314833.db2.gz QTWLDXPFPGDFJA-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CCCS(=O)(=O)NC ZINC000631710709 372517708 /nfs/dbraw/zinc/51/77/08/372517708.db2.gz RBJMOZSEAIZEOG-SNVBAGLBSA-N 1 0 234.365 0.870 20 30 BCEDRO CC#CCNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632195980 372802302 /nfs/dbraw/zinc/80/23/02/372802302.db2.gz MSTRLMLVNYQPSF-UHFFFAOYSA-N 1 0 234.303 0.198 20 30 BCEDRO C=C(C)CCNS(=O)(=O)CC1(N(C)C)CC1 ZINC000632409600 372924490 /nfs/dbraw/zinc/92/44/90/372924490.db2.gz CBXKBOCUGNBTPP-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C(CC)CNS(=O)(=O)CCC[NH+](C)C ZINC000632425687 372934170 /nfs/dbraw/zinc/93/41/70/372934170.db2.gz AZUKLRUSNYWMTN-UHFFFAOYSA-N 1 0 234.365 0.824 20 30 BCEDRO C=C1CC(C)(C(=O)NC[C@@]2(O)CC[N@@H+](C)C2)C1 ZINC000632473159 372964887 /nfs/dbraw/zinc/96/48/87/372964887.db2.gz UXKDOPUQHKVGQA-ZDUSSCGKSA-N 1 0 238.331 0.526 20 30 BCEDRO C[C@@H]1CCC[N@H+](CC(=O)NCC#N)[C@@H]1C ZINC000172859308 373096173 /nfs/dbraw/zinc/09/61/73/373096173.db2.gz KCEMOODHTDGBMY-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H]1[C@@H](C)CCC[N@@H+]1CC(=O)NCC#N ZINC000172859314 373097809 /nfs/dbraw/zinc/09/78/09/373097809.db2.gz KCEMOODHTDGBMY-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000632861525 373197155 /nfs/dbraw/zinc/19/71/55/373197155.db2.gz SJVLZSMKQWKKQP-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)C[N@H+](C)CCNS(C)(=O)=O ZINC000172080287 206004582 /nfs/dbraw/zinc/00/45/82/206004582.db2.gz PGPGQFMGKZRWPU-UHFFFAOYSA-N 1 0 206.311 0.044 20 30 BCEDRO CC[C@H](COC)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424087295 206030044 /nfs/dbraw/zinc/03/00/44/206030044.db2.gz RGJNRAICWRUSOZ-ZJUUUORDSA-N 1 0 227.308 0.549 20 30 BCEDRO CSC[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424129456 206031580 /nfs/dbraw/zinc/03/15/80/206031580.db2.gz RXICBZBJOUTZIQ-BDAKNGLRSA-N 1 0 229.349 0.875 20 30 BCEDRO C=CCn1cc(CN[C@H](C)C[C@H](C)[NH3+])nn1 ZINC000424378668 206039807 /nfs/dbraw/zinc/03/98/07/206039807.db2.gz OANBWGLJILULJV-VHSXEESVSA-N 1 0 223.324 0.680 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(C)C1CC1 ZINC000451601604 206108513 /nfs/dbraw/zinc/10/85/13/206108513.db2.gz BDQQBURVLILVAY-MNOVXSKESA-N 1 0 224.304 0.540 20 30 BCEDRO CC[NH+](CC)CCCN1CCOC[C@@H]1C#N ZINC000191813244 259579500 /nfs/dbraw/zinc/57/95/00/259579500.db2.gz RCYOLCGRXUHVEY-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000178926233 134313669 /nfs/dbraw/zinc/31/36/69/134313669.db2.gz VKOQYQKFNKGJLG-SNVBAGLBSA-N 1 0 246.376 0.952 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC([C@@H](C)O)CC1 ZINC000225782180 259592987 /nfs/dbraw/zinc/59/29/87/259592987.db2.gz MTFNWLBPOBEFTL-WDEREUQCSA-N 1 0 238.331 0.217 20 30 BCEDRO CCCNC(=[NH2+])NCCCn1cccn1 ZINC000104162481 169183790 /nfs/dbraw/zinc/18/37/90/169183790.db2.gz XGATWBUGGLMIFC-UHFFFAOYSA-N 1 0 209.297 0.588 20 30 BCEDRO C#CCNC(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000193120438 259594324 /nfs/dbraw/zinc/59/43/24/259594324.db2.gz XPHDSHZGFDBDQV-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCNC(=[NH2+])NCCc1ccc(OC)cc1 ZINC000264096406 532988393 /nfs/dbraw/zinc/98/83/93/532988393.db2.gz MBXMBGCKFJZABL-UHFFFAOYSA-N 1 0 231.299 0.775 20 30 BCEDRO C[C@@H]([NH3+])[C@H](C)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424460550 532991924 /nfs/dbraw/zinc/99/19/24/532991924.db2.gz BHEJRAWOXHTQCC-XFWSIPNHSA-N 1 0 224.308 0.714 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)N1C[C@@H](C)[C@H]([NH+](C)C)C1 ZINC000227220547 134376400 /nfs/dbraw/zinc/37/64/00/134376400.db2.gz GSUPLHRBDQGVTE-KXUCPTDWSA-N 1 0 245.348 0.110 20 30 BCEDRO CC(C)[C@](C)(C#N)NC(=O)C[N@@H+](C)C[C@H](C)O ZINC000227163267 134376478 /nfs/dbraw/zinc/37/64/78/134376478.db2.gz OCVOQOFVDRGTNF-JQWIXIFHSA-N 1 0 241.335 0.353 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2cccc(O)c2)n1 ZINC000285539705 383893750 /nfs/dbraw/zinc/89/37/50/383893750.db2.gz PWROUICJWKRFHN-UHFFFAOYSA-N 1 0 243.270 0.645 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@H]1CCC=CO1 ZINC000278468648 384002579 /nfs/dbraw/zinc/00/25/79/384002579.db2.gz GTTWVDOAKRKADP-LLVKDONJSA-N 1 0 245.344 0.870 20 30 BCEDRO COC[C@H](CO)[NH2+]Cc1ccc(C#N)cc1F ZINC000234789296 383999363 /nfs/dbraw/zinc/99/93/63/383999363.db2.gz GHDXYDOBBKNCHF-NSHDSACASA-N 1 0 238.262 0.794 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2ccc(C#N)cc2)C1 ZINC000158438074 383948233 /nfs/dbraw/zinc/94/82/33/383948233.db2.gz JLBALWKXDBYPIO-UHFFFAOYSA-N 1 0 229.283 0.944 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1cncnc1OC ZINC000647216127 384011009 /nfs/dbraw/zinc/01/10/09/384011009.db2.gz WANORFXPEJVVEV-LLVKDONJSA-N 1 0 237.303 0.902 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)CC1CCCC1 ZINC000517372115 384036072 /nfs/dbraw/zinc/03/60/72/384036072.db2.gz VCNHRPXCFVRDPN-LBPRGKRZSA-N 1 0 211.305 0.513 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@@H](C)[NH2+]CC)nn1 ZINC000648129746 384086543 /nfs/dbraw/zinc/08/65/43/384086543.db2.gz CALOIZDEVBPSKE-SECBINFHSA-N 1 0 237.307 0.192 20 30 BCEDRO C=CCn1cc(C(=O)N2CC[NH2+][C@@H](C)[C@H]2C)nn1 ZINC000648127962 384057354 /nfs/dbraw/zinc/05/73/54/384057354.db2.gz UEJDJZRZFQBAMO-VHSXEESVSA-N 1 0 249.318 0.287 20 30 BCEDRO C#CCC[NH+]1CCN([C@@H]2CCOC2)CC1 ZINC000363460475 384061801 /nfs/dbraw/zinc/06/18/01/384061801.db2.gz DUUCZEYPZXCGJL-GFCCVEGCSA-N 1 0 208.305 0.416 20 30 BCEDRO C=CCCC(=O)NC[C@H]1CN2CCN1CC2 ZINC000090698376 384068196 /nfs/dbraw/zinc/06/81/96/384068196.db2.gz IVXJJHXKWQNFTJ-NSHDSACASA-N 1 0 223.320 0.069 20 30 BCEDRO COC[C@H](O)CC[NH2+]Cc1nc(C#N)cs1 ZINC000309630941 384099981 /nfs/dbraw/zinc/09/99/81/384099981.db2.gz HSTUBBBMVJCBNY-SECBINFHSA-N 1 0 241.316 0.502 20 30 BCEDRO C[C@@H](CO)[N@H+](C)Cc1cc(C#N)n(C)c1 ZINC000289478947 384112498 /nfs/dbraw/zinc/11/24/98/384112498.db2.gz QEQVRMORSIPHRG-VIFPVBQESA-N 1 0 207.277 0.709 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1ccnc(OC)n1 ZINC000449519481 384175351 /nfs/dbraw/zinc/17/53/51/384175351.db2.gz MWNDIDONRLUMRR-MNOVXSKESA-N 1 0 235.287 0.918 20 30 BCEDRO COC[C@H]1C[N@H+](CCCSCC#N)CCO1 ZINC000074991461 384176805 /nfs/dbraw/zinc/17/68/05/384176805.db2.gz ATBGOJFJRHBZHF-LLVKDONJSA-N 1 0 244.360 0.980 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@H](C)[N@H+](C)CCO ZINC000153140588 384178150 /nfs/dbraw/zinc/17/81/50/384178150.db2.gz AOZGLCKUXQMKSE-NSHDSACASA-N 1 0 228.336 0.724 20 30 BCEDRO C#CCCNC(=[NH+]C)N(C)Cc1ccon1 ZINC000261744522 533044065 /nfs/dbraw/zinc/04/40/65/533044065.db2.gz LBPIKACHSOCNSJ-UHFFFAOYSA-N 1 0 220.276 0.705 20 30 BCEDRO COC(=O)N1CCC([NH2+]C[C@@H](C)C#N)CC1 ZINC000309621719 384183169 /nfs/dbraw/zinc/18/31/69/384183169.db2.gz FJZFIKLBQQSZGX-VIFPVBQESA-N 1 0 225.292 0.966 20 30 BCEDRO CC[NH+](CC)CC(=O)N1CCOC[C@H]1C#N ZINC000081738960 384197816 /nfs/dbraw/zinc/19/78/16/384197816.db2.gz NYBRWHZHRJOPTF-SNVBAGLBSA-N 1 0 225.292 0.079 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1ccc(C#N)o1 ZINC000336685383 384248868 /nfs/dbraw/zinc/24/88/68/384248868.db2.gz UCNJGQHPAUGQAF-UHFFFAOYSA-N 1 0 221.260 0.833 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000644165928 384255495 /nfs/dbraw/zinc/25/54/95/384255495.db2.gz CLUZIBMGRMPYOE-DCAQKATOSA-N 1 0 238.331 0.692 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)[C@H]1C ZINC000336779548 384275392 /nfs/dbraw/zinc/27/53/92/384275392.db2.gz OQDKRJVVCZSDJP-UTLUCORTSA-N 1 0 219.292 0.784 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187815596 384275806 /nfs/dbraw/zinc/27/58/06/384275806.db2.gz QDKMGEAYLMZGBX-WDEREUQCSA-N 1 0 238.335 0.739 20 30 BCEDRO C#CCCN1CCN([C@@H]2CCC[N@@H+](C)C2)CC1 ZINC000371203613 533054606 /nfs/dbraw/zinc/05/46/06/533054606.db2.gz CBIDRPZBGPKMEL-CQSZACIVSA-N 1 0 235.375 0.722 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000368972211 533056285 /nfs/dbraw/zinc/05/62/85/533056285.db2.gz FPTPBMQXAYMCSR-HBNTYKKESA-N 1 0 206.289 0.596 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000330364193 384366242 /nfs/dbraw/zinc/36/62/42/384366242.db2.gz GVAPWSRRUQOKBW-JQWIXIFHSA-N 1 0 226.320 0.429 20 30 BCEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@H](C)C#N ZINC000300405492 384372963 /nfs/dbraw/zinc/37/29/63/384372963.db2.gz UDERGALEDBDLAI-NXEZZACHSA-N 1 0 211.309 0.993 20 30 BCEDRO C#CCN(CC#CC)C(=O)/C=C\C[NH+](C)C ZINC000490690726 384332197 /nfs/dbraw/zinc/33/21/97/384332197.db2.gz UGKWSOJAFYWWNC-HJWRWDBZSA-N 1 0 218.300 0.589 20 30 BCEDRO C[C@H](CNC(=O)c1ccc(C#N)n1C)C[NH+](C)C ZINC000452002836 384332863 /nfs/dbraw/zinc/33/28/63/384332863.db2.gz ICPUYJWQVBBSOQ-SNVBAGLBSA-N 1 0 248.330 0.824 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000229575893 384378808 /nfs/dbraw/zinc/37/88/08/384378808.db2.gz NRWWKUPDQUEPAU-GARJFASQSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000647268388 384444235 /nfs/dbraw/zinc/44/42/35/384444235.db2.gz AXJSYLIFWUILDY-GHMZBOCLSA-N 1 0 246.376 0.952 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)[C@H](C)OC ZINC000490876409 384456292 /nfs/dbraw/zinc/45/62/92/384456292.db2.gz UHUXSYKEMGCIIM-WDEREUQCSA-N 1 0 225.288 0.662 20 30 BCEDRO C[C@H](CO)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600738355 384431618 /nfs/dbraw/zinc/43/16/18/384431618.db2.gz JXLXQBOWXNAPHL-VHSXEESVSA-N 1 0 212.293 0.259 20 30 BCEDRO C#CCC[NH2+][C@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000308952001 533068389 /nfs/dbraw/zinc/06/83/89/533068389.db2.gz VMPCIUVXXGGRLU-CMPLNLGQSA-N 1 0 206.289 0.657 20 30 BCEDRO C=CCSCCNC(=O)C[NH+](C)C ZINC000170757342 384519164 /nfs/dbraw/zinc/51/91/64/384519164.db2.gz JJOFBACSQPLOGA-UHFFFAOYSA-N 1 0 202.323 0.583 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCC[C@@H]1N1CCOCC1 ZINC000372696788 384522348 /nfs/dbraw/zinc/52/23/48/384522348.db2.gz QNOMDBQCFRLDEA-OLZOCXBDSA-N 1 0 222.332 0.853 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000533545429 384527814 /nfs/dbraw/zinc/52/78/14/384527814.db2.gz XGTQRDZXFOYEOS-SECBINFHSA-N 1 0 218.322 0.186 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]2CC[N@@H+](C)C2)nn1 ZINC000566119531 384530764 /nfs/dbraw/zinc/53/07/64/384530764.db2.gz XPIXQMOIKIYGSY-SNVBAGLBSA-N 1 0 249.318 0.032 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]2CC[N@@H+](C)C2)nn1 ZINC000566119530 384531045 /nfs/dbraw/zinc/53/10/45/384531045.db2.gz XPIXQMOIKIYGSY-JTQLQIEISA-N 1 0 249.318 0.032 20 30 BCEDRO CC(C)[N@@H+](Cc1ccc(C#N)cn1)C[C@H](O)CO ZINC000564587050 384541917 /nfs/dbraw/zinc/54/19/17/384541917.db2.gz ZKQWGGQQZFNUEI-ZDUSSCGKSA-N 1 0 249.314 0.517 20 30 BCEDRO C=CC1CCN(C(=O)[C@@H]2C[NH2+]CCO2)CC1 ZINC000236652679 384538305 /nfs/dbraw/zinc/53/83/05/384538305.db2.gz UBBYXWGMQBSBDU-NSHDSACASA-N 1 0 224.304 0.399 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000309734908 384571750 /nfs/dbraw/zinc/57/17/50/384571750.db2.gz CDDXWAWPXVLPRO-NQBHXWOUSA-N 1 0 224.348 0.996 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000646901223 384574868 /nfs/dbraw/zinc/57/48/68/384574868.db2.gz YKDZYHMGTABGNQ-QWRGUYRKSA-N 1 0 228.336 0.626 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000308297631 384587664 /nfs/dbraw/zinc/58/76/64/384587664.db2.gz IXBRRYRIRHANHE-SECBINFHSA-N 1 0 203.307 0.681 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@H]3CC[NH2+][C@@H]3C2)C1=O ZINC000643064985 384587753 /nfs/dbraw/zinc/58/77/53/384587753.db2.gz MVIJPXQAELZGJB-XQQFMLRXSA-N 1 0 249.358 0.457 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)NC2(C#N)CCCC2)C1 ZINC000335898527 384591164 /nfs/dbraw/zinc/59/11/64/384591164.db2.gz BCDYLWYRYKYRLN-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO CC[C@@H]1CN(CC(=O)NCC#N)C[C@H](C)O1 ZINC000111273769 384602581 /nfs/dbraw/zinc/60/25/81/384602581.db2.gz FDIVRTMWBUBMKC-VHSXEESVSA-N 1 0 225.292 0.125 20 30 BCEDRO C#CCN(CC#CC)C[C@H](O)C[N@@H+](C)CC ZINC000491381901 384609392 /nfs/dbraw/zinc/60/93/92/384609392.db2.gz GVVMQWVOFLUGNG-CYBMUJFWSA-N 1 0 222.332 0.258 20 30 BCEDRO COCCC[N@@H+]1CCCN([C@@H](C)C#N)CC1 ZINC000363667912 384667021 /nfs/dbraw/zinc/66/70/21/384667021.db2.gz ADDGQINBXCXZFM-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C[NH+]1CCC(C#N)(NC(=O)CC2CC2)CC1 ZINC000048347732 384675488 /nfs/dbraw/zinc/67/54/88/384675488.db2.gz UTAHSBWXZQJHFD-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1ccn(C)n1 ZINC000491384871 384654464 /nfs/dbraw/zinc/65/44/64/384654464.db2.gz PXSZGWKTVRJYLF-SNVBAGLBSA-N 1 0 234.303 0.210 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000491384819 384654637 /nfs/dbraw/zinc/65/46/37/384654637.db2.gz PSUHDIIAHLGLGD-AAEUAGOBSA-N 1 0 236.315 0.283 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@H]1NCC#N ZINC000363712109 384726028 /nfs/dbraw/zinc/72/60/28/384726028.db2.gz IZRTZJHGDGZARU-JHJVBQTASA-N 1 0 237.347 0.989 20 30 BCEDRO C=CCNC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000518111745 384692428 /nfs/dbraw/zinc/69/24/28/384692428.db2.gz XKPAQBKIOHHAIF-JTQLQIEISA-N 1 0 211.309 0.908 20 30 BCEDRO C[C@H]1C[C@@H](Nc2ncncc2C#N)C[N@@H+]1C1CC1 ZINC000565890192 384716223 /nfs/dbraw/zinc/71/62/23/384716223.db2.gz OSGXWGWKCCOAMB-GXSJLCMTSA-N 1 0 243.314 0.807 20 30 BCEDRO C[C@@H]1C[C@H](Nc2ncncc2C#N)C[N@@H+]1C1CC1 ZINC000565890200 384716561 /nfs/dbraw/zinc/71/65/61/384716561.db2.gz OSGXWGWKCCOAMB-KOLCDFICSA-N 1 0 243.314 0.807 20 30 BCEDRO C#CC[NH+]1CCC(Cn2ccnn2)CC1 ZINC000155617093 384744351 /nfs/dbraw/zinc/74/43/51/384744351.db2.gz JAIKVNWTPIMJPS-UHFFFAOYSA-N 1 0 204.277 0.623 20 30 BCEDRO N#CCN1CCC[C@H]1C[N@H+]1CCC[C@@H]1CO ZINC000363638264 384763622 /nfs/dbraw/zinc/76/36/22/384763622.db2.gz QNCRNDUMENAKIS-NWDGAFQWSA-N 1 0 223.320 0.431 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1cn(C)nc1C ZINC000491067502 384798205 /nfs/dbraw/zinc/79/82/05/384798205.db2.gz IORGLKKJRVDGPN-SNVBAGLBSA-N 1 0 248.330 0.519 20 30 BCEDRO CCCCNC(=[NH2+])NCCc1cnn(C)c1 ZINC000104173179 384807524 /nfs/dbraw/zinc/80/75/24/384807524.db2.gz MRPJWLKQVGUZMN-UHFFFAOYSA-N 1 0 223.324 0.667 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1c(C)noc1C ZINC000491072574 384809805 /nfs/dbraw/zinc/80/98/05/384809805.db2.gz TUDHRJGYAKKZKR-UHFFFAOYSA-N 1 0 235.287 0.521 20 30 BCEDRO C=CCNC(=O)CN1CCC[N@@H+](CC)CC1 ZINC000104951695 384849872 /nfs/dbraw/zinc/84/98/72/384849872.db2.gz YBNLKTFGYSNKOT-UHFFFAOYSA-N 1 0 225.336 0.316 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+](CCCC=C)CC1 ZINC000491440296 384857804 /nfs/dbraw/zinc/85/78/04/384857804.db2.gz OHSQLFXCVUXRTL-UHFFFAOYSA-N 1 0 249.358 0.320 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)CC[NH3+] ZINC000308658796 384902383 /nfs/dbraw/zinc/90/23/83/384902383.db2.gz PDRZMOKAYJAFNN-QMMMGPOBSA-N 1 0 206.311 0.219 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1snnc1C ZINC000320292400 384916094 /nfs/dbraw/zinc/91/60/94/384916094.db2.gz QTVHUPDNEXCECF-MRVPVSSYSA-N 1 0 213.306 0.873 20 30 BCEDRO C=CCn1cc(C(=O)N2CCC[C@@H]([NH3+])C2)nn1 ZINC000647603219 384919987 /nfs/dbraw/zinc/91/99/87/384919987.db2.gz HOHPORVZBBPGEE-SECBINFHSA-N 1 0 235.291 0.027 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000320329262 384940637 /nfs/dbraw/zinc/94/06/37/384940637.db2.gz YRNUQSLPIDHNLK-MNOVXSKESA-N 1 0 226.320 0.572 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[C@@H](C[NH3+])C2)nn1 ZINC000648148562 385002036 /nfs/dbraw/zinc/00/20/36/385002036.db2.gz OXDMHHMXAHAVMG-ZJUUUORDSA-N 1 0 249.318 0.321 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)Cn1cccn1 ZINC000105931566 385058872 /nfs/dbraw/zinc/05/88/72/385058872.db2.gz NNEOLLWPBNWKOJ-SNVBAGLBSA-N 1 0 222.292 0.163 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H](OC)C1CC1 ZINC000388266873 385041850 /nfs/dbraw/zinc/04/18/50/385041850.db2.gz FRJAMIBPCZVLKL-SCVCMEIPSA-N 1 0 238.331 0.527 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000647001216 385134536 /nfs/dbraw/zinc/13/45/36/385134536.db2.gz SADINTIJDGZHCQ-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H]2CCCOC2)nn1 ZINC000424291233 385137818 /nfs/dbraw/zinc/13/78/18/385137818.db2.gz DJBGCICRNUSYQZ-JTQLQIEISA-N 1 0 222.292 0.733 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000646957601 385087699 /nfs/dbraw/zinc/08/76/99/385087699.db2.gz AYYRNGHEMAVQDL-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000559636966 385089563 /nfs/dbraw/zinc/08/95/63/385089563.db2.gz SAZHXTMIFHHVIH-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO C#CCSCCNC(N[C@@H]1C[C@H]1C)=[NH+]C ZINC000129087268 385107168 /nfs/dbraw/zinc/10/71/68/385107168.db2.gz QVDZZCOKFNPNPZ-NXEZZACHSA-N 1 0 225.361 0.926 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccnc(F)c1 ZINC000293894559 533108037 /nfs/dbraw/zinc/10/80/37/533108037.db2.gz DQOGTUJCOSHKCD-UHFFFAOYSA-N 1 0 249.289 0.906 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+](CC)CCOCC ZINC000157573822 385199382 /nfs/dbraw/zinc/19/93/82/385199382.db2.gz USNYFUKAYLMUAF-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[NH2+]C1(C)C ZINC000449750394 385148597 /nfs/dbraw/zinc/14/85/97/385148597.db2.gz IXDJQNUYIRORSP-VIFPVBQESA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000157361845 385150576 /nfs/dbraw/zinc/15/05/76/385150576.db2.gz SAKRWOMKZLNADX-RWMBFGLXSA-N 1 0 243.347 0.785 20 30 BCEDRO C=CCOc1cccnc1C(=O)NC[C@H](C)[NH3+] ZINC000647023002 385156063 /nfs/dbraw/zinc/15/60/63/385156063.db2.gz LDBMHPUXMQBQAI-VIFPVBQESA-N 1 0 235.287 0.723 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@](C)(O)C1 ZINC000177981153 385158269 /nfs/dbraw/zinc/15/82/69/385158269.db2.gz ZOJNZKNWQVOIHP-ZYHUDNBSSA-N 1 0 239.319 0.204 20 30 BCEDRO N#Cc1ccc(NCC[NH+]2CCC(O)CC2)nc1 ZINC000321372837 385159772 /nfs/dbraw/zinc/15/97/72/385159772.db2.gz BTFONZHTJLFIPB-UHFFFAOYSA-N 1 0 246.314 0.822 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cccc(F)n1 ZINC000294080423 533107234 /nfs/dbraw/zinc/10/72/34/533107234.db2.gz WRHFZXFIMBUYML-UHFFFAOYSA-N 1 0 249.289 0.906 20 30 BCEDRO CN(CC[NH+](C)C)c1cccnc1C#N ZINC000130017638 385210927 /nfs/dbraw/zinc/21/09/27/385210927.db2.gz NMDMAXFIAUNMOI-UHFFFAOYSA-N 1 0 204.277 0.951 20 30 BCEDRO C=CCCOCC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000647067978 385213162 /nfs/dbraw/zinc/21/31/62/385213162.db2.gz HNARCCAZFSSIEI-DTWKUNHWSA-N 1 0 200.282 0.431 20 30 BCEDRO C=CCOCC(=O)NC[C@H](C)C[NH2+]C ZINC000308859197 385221715 /nfs/dbraw/zinc/22/17/15/385221715.db2.gz XRWBJCSECSDUJS-SECBINFHSA-N 1 0 200.282 0.161 20 30 BCEDRO C[C@@H](O)C[N@@H+]1CCN(CC2(C#N)CC2)[C@H](C)C1 ZINC000407970213 385221993 /nfs/dbraw/zinc/22/19/93/385221993.db2.gz ZXCMILBCUHRBFH-VXGBXAGGSA-N 1 0 237.347 0.677 20 30 BCEDRO C[C@H](O)C[N@@H+]1CCN(CC2(C#N)CC2)[C@H](C)C1 ZINC000407970203 385222362 /nfs/dbraw/zinc/22/23/62/385222362.db2.gz ZXCMILBCUHRBFH-NEPJUHHUSA-N 1 0 237.347 0.677 20 30 BCEDRO CC#CCC[N@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000157588119 385225189 /nfs/dbraw/zinc/22/51/89/385225189.db2.gz RQTGVVLHZULHSZ-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO C#CCN(CC#N)C(=O)C[N@H+]1CCC(C)(C)C1 ZINC000491627621 385225652 /nfs/dbraw/zinc/22/56/52/385225652.db2.gz LCWRSMOLEVLLNL-UHFFFAOYSA-N 1 0 233.315 0.704 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000308893270 385248491 /nfs/dbraw/zinc/24/84/91/385248491.db2.gz YNQXSAKROSBSRW-VHSXEESVSA-N 1 0 235.349 0.194 20 30 BCEDRO CC#CCN(CC(N)=O)Cc1ccccc1 ZINC000158000167 385302958 /nfs/dbraw/zinc/30/29/58/385302958.db2.gz RNHZXCJFACPWPH-UHFFFAOYSA-N 1 0 216.284 0.997 20 30 BCEDRO C=CCC[C@H](CO)Nc1nc(C)nc(N)n1 ZINC000316584166 385303265 /nfs/dbraw/zinc/30/32/65/385303265.db2.gz NLTFDCBBHLPPEV-MRVPVSSYSA-N 1 0 223.280 0.501 20 30 BCEDRO COCC#CCN1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000644730652 385261394 /nfs/dbraw/zinc/26/13/94/385261394.db2.gz CBUVULPQUSHABJ-NEPJUHHUSA-N 1 0 208.305 0.272 20 30 BCEDRO C#CCNC(=O)CCN[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000491633444 385262851 /nfs/dbraw/zinc/26/28/51/385262851.db2.gz QDHJSHZHJSHCLT-OLZOCXBDSA-N 1 0 249.358 0.342 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@]2(CO)CCOC2)C1 ZINC000308901597 385273256 /nfs/dbraw/zinc/27/32/56/385273256.db2.gz HGDLSTMJDPPOMI-VWYCJHECSA-N 1 0 210.277 0.420 20 30 BCEDRO C[C@@H]1CN(CCC#N)CC[N@@H+]1CC(C)(C)O ZINC000408441748 385293831 /nfs/dbraw/zinc/29/38/31/385293831.db2.gz GJDOSNJNRXGGQE-LLVKDONJSA-N 1 0 225.336 0.677 20 30 BCEDRO C=C[C@H](CO)NC1CC[NH+](C(C)C)CC1 ZINC000308975229 385329757 /nfs/dbraw/zinc/32/97/57/385329757.db2.gz GLUVYCAWLZJJET-LLVKDONJSA-N 1 0 212.337 0.996 20 30 BCEDRO C[C@@H]1C[N@@H+]([C@H]2CC[C@@H](C#N)C2)C[C@H]1C(N)=O ZINC000407995931 385336977 /nfs/dbraw/zinc/33/69/77/385336977.db2.gz JPNBXZZWQRULSQ-CHWFTXMASA-N 1 0 221.304 0.732 20 30 BCEDRO CC1CCN(C(=[NH2+])NCc2ncn(C)n2)CC1 ZINC000131476576 385338523 /nfs/dbraw/zinc/33/85/23/385338523.db2.gz VBMNUUIOURFDFG-UHFFFAOYSA-N 1 0 236.323 0.362 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000491647777 385343296 /nfs/dbraw/zinc/34/32/96/385343296.db2.gz ZNGGCYACPAJRNZ-WDEREUQCSA-N 1 0 223.320 0.840 20 30 BCEDRO C=CCOCCCC(=O)N1CCC[C@H]([NH3+])C1 ZINC000158152135 385343364 /nfs/dbraw/zinc/34/33/64/385343364.db2.gz ZAEDJMIXOWDVCR-NSHDSACASA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H]([C@@H](C)[NH3+])C1 ZINC000429159243 385345093 /nfs/dbraw/zinc/34/50/93/385345093.db2.gz ZXEFFPHFBGNNST-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H](C)Cn1cccn1 ZINC000309018348 385373370 /nfs/dbraw/zinc/37/33/70/385373370.db2.gz VPAXHUCSVBJDRS-MNOVXSKESA-N 1 0 209.293 0.798 20 30 BCEDRO CC1(C)CN(C(=O)CSCC#N)CC[NH2+]1 ZINC000309100069 385408630 /nfs/dbraw/zinc/40/86/30/385408630.db2.gz FHOWRELLJOZPPS-UHFFFAOYSA-N 1 0 227.333 0.454 20 30 BCEDRO N#CC[C@@H](O)CSc1nc(N)cc(N)[nH+]1 ZINC000309084442 385410725 /nfs/dbraw/zinc/41/07/25/385410725.db2.gz VJQBFRZOWNYMSQ-RXMQYKEDSA-N 1 0 225.277 0.008 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000289775924 385421672 /nfs/dbraw/zinc/42/16/72/385421672.db2.gz JCRNNXFZTWVJLH-NSHDSACASA-N 1 0 220.272 0.422 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[C@@H]1CCC[N@@H+](C)C1 ZINC000616234425 385446114 /nfs/dbraw/zinc/44/61/14/385446114.db2.gz VAOAFADPAJFWJW-AAEUAGOBSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCOCC(=O)N(C1CC1)C1CC[NH2+]CC1 ZINC000644095814 385451176 /nfs/dbraw/zinc/45/11/76/385451176.db2.gz BEANYVFFBVGCSA-UHFFFAOYSA-N 1 0 238.331 0.932 20 30 BCEDRO COc1cc(CNC(=[NH2+])N(C)C)ccn1 ZINC000170910216 385454759 /nfs/dbraw/zinc/45/47/59/385454759.db2.gz LYVHSKBAJKTBLX-UHFFFAOYSA-N 1 0 208.265 0.467 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](C)NS(=O)(=O)[C@H](C)C#N ZINC000309195204 385459760 /nfs/dbraw/zinc/45/97/60/385459760.db2.gz DFPUNHBULZRZQD-VHSXEESVSA-N 1 0 247.364 0.547 20 30 BCEDRO C=CCn1cc(C(=O)NCCC[NH2+]CC)nn1 ZINC000647668998 385517410 /nfs/dbraw/zinc/51/74/10/385517410.db2.gz BSPFTJAHBOILRL-UHFFFAOYSA-N 1 0 237.307 0.194 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H](C)C[NH+](C)C ZINC000644810864 385506857 /nfs/dbraw/zinc/50/68/57/385506857.db2.gz OJTRBOBNNXNFBH-LLVKDONJSA-N 1 0 228.336 0.893 20 30 BCEDRO C#CCN(C)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491695561 385519302 /nfs/dbraw/zinc/51/93/02/385519302.db2.gz CMGHXGGHPDDLGU-NSHDSACASA-N 1 0 235.331 0.745 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CCC[C@H]2CO)nc1 ZINC000581287147 385519848 /nfs/dbraw/zinc/51/98/48/385519848.db2.gz NZWUVNRXKSQNMV-LBPRGKRZSA-N 1 0 217.272 0.910 20 30 BCEDRO C#CCNC(=O)NC[C@H]1[NH2+]CCCC1(C)C ZINC000491700683 385564813 /nfs/dbraw/zinc/56/48/13/385564813.db2.gz GPGAVGWONIXEGS-SNVBAGLBSA-N 1 0 223.320 0.697 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N2CC(C#N)C2)C1 ZINC000594365236 385600581 /nfs/dbraw/zinc/60/05/81/385600581.db2.gz ZLJOZHBAALNTAF-VIFPVBQESA-N 1 0 207.277 0.310 20 30 BCEDRO C=CCOCC(=O)NCC[NH2+]CCC ZINC000336649044 385587444 /nfs/dbraw/zinc/58/74/44/385587444.db2.gz FFHUBXWLUIJEIH-UHFFFAOYSA-N 1 0 200.282 0.305 20 30 BCEDRO C[NH2+][C@@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000128939560 385632097 /nfs/dbraw/zinc/63/20/97/385632097.db2.gz UCAUEHPOKQJLGF-GFCCVEGCSA-N 1 0 229.283 0.992 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)NC1(C#N)CCOCC1 ZINC000408175333 385610318 /nfs/dbraw/zinc/61/03/18/385610318.db2.gz SIFQMZLBTUGSHT-SNVBAGLBSA-N 1 0 237.303 0.270 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCS(=O)(=O)C2)C1 ZINC000336681139 385636045 /nfs/dbraw/zinc/63/60/45/385636045.db2.gz ONTLOHBUUGPYFO-GMTAPVOTSA-N 1 0 242.344 0.845 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccnn1C ZINC000320714518 385639709 /nfs/dbraw/zinc/63/97/09/385639709.db2.gz HMUFICOESHFCET-JTQLQIEISA-N 1 0 209.293 0.837 20 30 BCEDRO C[C@H](CCNC(=O)NCCCC#N)[NH+](C)C ZINC000596555739 385653503 /nfs/dbraw/zinc/65/35/03/385653503.db2.gz UBBWQBHMRJTSPO-SNVBAGLBSA-N 1 0 226.324 0.930 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CC(=O)NCC(F)F)C1 ZINC000309585518 385717613 /nfs/dbraw/zinc/71/76/13/385717613.db2.gz SCJGALLKTGOQMV-JGVFFNPUSA-N 1 0 231.246 0.650 20 30 BCEDRO COCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000129013025 385705978 /nfs/dbraw/zinc/70/59/78/385705978.db2.gz OCOHBKXENWBDOU-UHFFFAOYSA-N 1 0 227.308 0.327 20 30 BCEDRO C#CCNC(=[NH+]C)N1CC[C@@H](COC)C1 ZINC000262487202 533141148 /nfs/dbraw/zinc/14/11/48/533141148.db2.gz SXIXAIWIPSOIAM-SNVBAGLBSA-N 1 0 209.293 0.163 20 30 BCEDRO C#CCNC(NC[C@]1(C)CCCC[C@@H]1O)=[NH+]C ZINC000262806219 533141339 /nfs/dbraw/zinc/14/13/39/533141339.db2.gz SHJAGERRTHXWND-AAEUAGOBSA-N 1 0 237.347 0.726 20 30 BCEDRO C#CCNC(NC[C@@](C)(O)c1ccco1)=[NH+]C ZINC000262455141 533141727 /nfs/dbraw/zinc/14/17/27/533141727.db2.gz VDATZZINAUEKKK-GFCCVEGCSA-N 1 0 235.287 0.285 20 30 BCEDRO C#CCNC(NC[C@@H](O)C1CCCCC1)=[NH+]C ZINC000262764821 533141804 /nfs/dbraw/zinc/14/18/04/533141804.db2.gz FTGUEVHQJQIUPD-GFCCVEGCSA-N 1 0 237.347 0.726 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C=Cc1c[nH]cn1 ZINC000491734356 385730174 /nfs/dbraw/zinc/73/01/74/385730174.db2.gz BMQZKBWHSIRVGH-CYNONHLPSA-N 1 0 203.245 0.951 20 30 BCEDRO CC[C@H]1[C@@H](C)CC[N@@H+]1CC(=O)NCC#N ZINC000185662998 385731203 /nfs/dbraw/zinc/73/12/03/385731203.db2.gz AOCMMKYLQCHNEV-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(c2nccnc2C#N)C1 ZINC000264949544 385746818 /nfs/dbraw/zinc/74/68/18/385746818.db2.gz KUWIDXYKXWOGLP-JTQLQIEISA-N 1 0 231.303 0.736 20 30 BCEDRO C#CCNC(NCCOC1CCCC1)=[NH+]C ZINC000262619617 533143236 /nfs/dbraw/zinc/14/32/36/533143236.db2.gz OHADERANVKZRFY-UHFFFAOYSA-N 1 0 223.320 0.744 20 30 BCEDRO CNC(=O)CC[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000408380519 385787309 /nfs/dbraw/zinc/78/73/09/385787309.db2.gz AEZGGFMIPFBHPK-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C[NH+](C)C1(CNc2cnc(C#N)cn2)CC1 ZINC000397845040 385724347 /nfs/dbraw/zinc/72/43/47/385724347.db2.gz RVHKJDBGCZTZEG-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO C[N@H+](CCCSCC#N)CCC(N)=O ZINC000353200275 385822021 /nfs/dbraw/zinc/82/20/21/385822021.db2.gz INTPJTUMVZMAKC-UHFFFAOYSA-N 1 0 215.322 0.440 20 30 BCEDRO C=CCn1cc(C(=O)N2C[C@H](C)[NH2+][C@@H](C)C2)nn1 ZINC000647805170 385843537 /nfs/dbraw/zinc/84/35/37/385843537.db2.gz AFYWUFXGUGBZRP-UWVGGRQHSA-N 1 0 249.318 0.287 20 30 BCEDRO C=CCn1cc(C(=O)N2C[C@@H](C)[NH2+][C@@H](C)C2)nn1 ZINC000647805167 385844600 /nfs/dbraw/zinc/84/46/00/385844600.db2.gz AFYWUFXGUGBZRP-AOOOYVTPSA-N 1 0 249.318 0.287 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc(C[NH2+]CC)nn1 ZINC000603233721 385845948 /nfs/dbraw/zinc/84/59/48/385845948.db2.gz KBCNEGLRZXJZPY-VIFPVBQESA-N 1 0 224.264 0.288 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]1CCO ZINC000336710665 385796484 /nfs/dbraw/zinc/79/64/84/385796484.db2.gz UABVWVGBJGASLE-SNVBAGLBSA-N 1 0 212.293 0.135 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[NH2+]CC2(C)C)C1=O ZINC000647852918 385904185 /nfs/dbraw/zinc/90/41/85/385904185.db2.gz ONQIXDKEPUOPPG-LLVKDONJSA-N 1 0 237.347 0.457 20 30 BCEDRO C[C@H](C#N)C[N@H+](C)CC1(O)CCOCC1 ZINC000123733274 385912017 /nfs/dbraw/zinc/91/20/17/385912017.db2.gz GPAAFLDMZGJRTF-SNVBAGLBSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@@H]([NH3+])C(C)C)nn1 ZINC000647824950 385867106 /nfs/dbraw/zinc/86/71/06/385867106.db2.gz HXIRUURTFULGCO-SECBINFHSA-N 1 0 237.307 0.177 20 30 BCEDRO C#CCN1CCC([N@H+]2CCC[C@@H]2C(N)=O)CC1 ZINC000366627450 533150185 /nfs/dbraw/zinc/15/01/85/533150185.db2.gz KIVNSJVHNHULMH-GFCCVEGCSA-N 1 0 235.331 0.034 20 30 BCEDRO C#CC[N@@H+]1CCCC[C@@H]1Cn1ccnn1 ZINC000369282245 533153471 /nfs/dbraw/zinc/15/34/71/533153471.db2.gz ZJOSLPLQMNXQHC-LLVKDONJSA-N 1 0 204.277 0.766 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000643254626 385991451 /nfs/dbraw/zinc/99/14/51/385991451.db2.gz SYOMAZCTYUNQMD-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](CO)C[C@H](C)C1 ZINC000643253726 385991957 /nfs/dbraw/zinc/99/19/57/385991957.db2.gz CVELMTDEHBWTDL-TUAOUCFPSA-N 1 0 213.321 0.874 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCNC(=O)OC(C)(C)C)N1 ZINC000496693631 385948731 /nfs/dbraw/zinc/94/87/31/385948731.db2.gz VNVRYLIFVIMHMP-QMMMGPOBSA-N 1 0 242.323 0.448 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC(F)(F)[C@@H](CO)C1 ZINC000643387573 385949955 /nfs/dbraw/zinc/94/99/55/385949955.db2.gz UJQIQDFMFRWLFB-NXEZZACHSA-N 1 0 235.274 0.873 20 30 BCEDRO C=C1CCN(C(=O)CN2CC[NH2+]CC2)CC1 ZINC000309304899 386003590 /nfs/dbraw/zinc/00/35/90/386003590.db2.gz XFHMTNYLRACZKG-UHFFFAOYSA-N 1 0 223.320 0.070 20 30 BCEDRO CC(C)[C@H](C(=O)NCCCC#N)[NH+](C)C ZINC000345157353 386019610 /nfs/dbraw/zinc/01/96/10/386019610.db2.gz XKOFONRKKHDBQC-SNVBAGLBSA-N 1 0 211.309 0.993 20 30 BCEDRO CC(C)[C@H]1CC[N@@H+]1C[C@H](O)CN(C)CCC#N ZINC000414157694 386043573 /nfs/dbraw/zinc/04/35/73/386043573.db2.gz YOWAOFQUMDWSIT-CHWSQXEVSA-N 1 0 239.363 0.923 20 30 BCEDRO CN1CCN(C(=O)CSCC#N)C(C)(C)C1 ZINC000334439042 386047865 /nfs/dbraw/zinc/04/78/65/386047865.db2.gz UKSRLBRJCYCUNW-UHFFFAOYSA-N 1 0 241.360 0.796 20 30 BCEDRO C=CCOCCCC(=O)NC[C@@H](C)C[NH2+]C ZINC000237104988 259681113 /nfs/dbraw/zinc/68/11/13/259681113.db2.gz VKWZQRONTRHKIM-NSHDSACASA-N 1 0 228.336 0.941 20 30 BCEDRO C=CCN1CC[N@H+](CC(C)(C)O)[C@H](C)C1 ZINC000189908383 386115670 /nfs/dbraw/zinc/11/56/70/386115670.db2.gz RTOWVMRXSMJMSF-LLVKDONJSA-N 1 0 212.337 0.949 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000345838881 386122024 /nfs/dbraw/zinc/12/20/24/386122024.db2.gz HUDMLYILOOWHPK-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000187432796 386146908 /nfs/dbraw/zinc/14/69/08/386146908.db2.gz BLVTZUHELPDYOC-GHMZBOCLSA-N 1 0 208.305 0.986 20 30 BCEDRO C=CCOCCCC(=O)NC1CC[NH2+]CC1 ZINC000262506022 386159627 /nfs/dbraw/zinc/15/96/27/386159627.db2.gz KHAQMAPCNZSGGR-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO C#CCN1CCO[C@@H]2C[C@@H]([NH+](C)C)CC[C@@H]21 ZINC000374423533 533159279 /nfs/dbraw/zinc/15/92/79/533159279.db2.gz WJIBRNCPLHPQJH-RWMBFGLXSA-N 1 0 222.332 0.803 20 30 BCEDRO C=C(CC)C[NH2+]C[C@@H](O)COCCOC ZINC000313503734 259682923 /nfs/dbraw/zinc/68/29/23/259682923.db2.gz MQPHZQJANJRXBZ-LLVKDONJSA-N 1 0 217.309 0.566 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2C[C@H](O)C(C)(C)C2)C1=O ZINC000334460940 386124915 /nfs/dbraw/zinc/12/49/15/386124915.db2.gz ODARBLUVMUVJHF-MNOVXSKESA-N 1 0 238.331 0.476 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCCO[C@H](C)C1 ZINC000293085278 533163709 /nfs/dbraw/zinc/16/37/09/533163709.db2.gz MTSUMBUGZKQQMS-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO COCC[N@H+](C)CCCNC(=O)[C@H](C)C#N ZINC000347069456 386215727 /nfs/dbraw/zinc/21/57/27/386215727.db2.gz MZSOSAFOJITNFK-SNVBAGLBSA-N 1 0 227.308 0.231 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC(C)(C)C1 ZINC000292822068 533162001 /nfs/dbraw/zinc/16/20/01/533162001.db2.gz OBSVBUBIKVAMMJ-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000347076507 386217339 /nfs/dbraw/zinc/21/73/39/386217339.db2.gz SVNDKIQDAOWVHD-SCZZXKLOSA-N 1 0 209.293 0.602 20 30 BCEDRO C[C@H](CO)[N@@H+](CCC(C)(C)C#N)C[C@H](C)O ZINC000347210591 386285245 /nfs/dbraw/zinc/28/52/45/386285245.db2.gz UFZUEQPFVBBQEL-MNOVXSKESA-N 1 0 228.336 0.990 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000393960288 386287727 /nfs/dbraw/zinc/28/77/27/386287727.db2.gz NJIPPPAKHFUWQK-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO COCC(C)(C)[NH+]1CCN(CC#N)CC1 ZINC000425512010 386288798 /nfs/dbraw/zinc/28/87/98/386288798.db2.gz XQTDJDPQSWZDND-UHFFFAOYSA-N 1 0 211.309 0.553 20 30 BCEDRO C[NH2+]C[C@H](C)CNc1cc(C)ncc1C#N ZINC000398987363 386322536 /nfs/dbraw/zinc/32/25/36/386322536.db2.gz IEKXWZGRZFUPRG-VIFPVBQESA-N 1 0 218.304 0.951 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000347235597 386275476 /nfs/dbraw/zinc/27/54/76/386275476.db2.gz SGXBWYSENCYFIG-GFCCVEGCSA-N 1 0 237.347 0.943 20 30 BCEDRO C[C@H](CO)[N@H+](CC(=O)NCC#N)C1CCCC1 ZINC000347235506 386276335 /nfs/dbraw/zinc/27/63/35/386276335.db2.gz RXACLSSQKUBTMA-SNVBAGLBSA-N 1 0 239.319 0.252 20 30 BCEDRO C#CCNC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000173967259 533169772 /nfs/dbraw/zinc/16/97/72/533169772.db2.gz GPNQJBNCXPZIJK-GFCCVEGCSA-N 1 0 235.331 0.747 20 30 BCEDRO OC[C@@H]1CC[C@@H](CO)[NH+]1CC#Cc1ccccc1 ZINC000347349632 386345938 /nfs/dbraw/zinc/34/59/38/386345938.db2.gz WHUHWASQWJPOIX-GJZGRUSLSA-N 1 0 245.322 0.856 20 30 BCEDRO C=C(C)C[N@@H+](C)CC(=O)NC(=O)NCC(C)C ZINC000181273178 386347951 /nfs/dbraw/zinc/34/79/51/386347951.db2.gz HPARKOQWMWNYNV-UHFFFAOYSA-N 1 0 241.335 0.976 20 30 BCEDRO C=CCC[C@H](O)CN(C)[C@@H](C)C(=O)OC ZINC000280796435 386374930 /nfs/dbraw/zinc/37/49/30/386374930.db2.gz RNKABURVASIGJJ-UWVGGRQHSA-N 1 0 215.293 0.807 20 30 BCEDRO C=CCCCS(=O)(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000416493415 386328890 /nfs/dbraw/zinc/32/88/90/386328890.db2.gz DVKXERKGXWZAOT-LLVKDONJSA-N 1 0 246.376 0.824 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@@H](O)CC[C@H]1C ZINC000399178497 386437616 /nfs/dbraw/zinc/43/76/16/386437616.db2.gz RINZLEZFMPPKRF-ZJUUUORDSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347545058 386446876 /nfs/dbraw/zinc/44/68/76/386446876.db2.gz KMFQLCVQQGKTNM-SNVBAGLBSA-N 1 0 232.349 0.706 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347547624 386447387 /nfs/dbraw/zinc/44/73/87/386447387.db2.gz XLHMLLACYZLDIX-JTQLQIEISA-N 1 0 232.349 0.706 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)NCCC#N)C[N@@H+]1C1CC1 ZINC000408366461 386397791 /nfs/dbraw/zinc/39/77/91/386397791.db2.gz OLCOQEQGZNZEKL-ZJUUUORDSA-N 1 0 236.319 0.824 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](NC(=O)NCCC#N)C1 ZINC000408367526 386410847 /nfs/dbraw/zinc/41/08/47/386410847.db2.gz WYIUMXNBAXNVDK-SNVBAGLBSA-N 1 0 224.308 0.684 20 30 BCEDRO C=CCSCCNC(=O)NCCC[NH3+] ZINC000417314834 386480013 /nfs/dbraw/zinc/48/00/13/386480013.db2.gz AIJYWNKBLZKAJW-UHFFFAOYSA-N 1 0 217.338 0.554 20 30 BCEDRO C=CCSCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417345694 386485377 /nfs/dbraw/zinc/48/53/77/386485377.db2.gz SGDKURRARWPPBN-SNVBAGLBSA-N 1 0 243.376 0.942 20 30 BCEDRO C=CC[C@H](C)[C@@H](C)[NH2+]CCS(=O)(=O)NC ZINC000187178137 386486791 /nfs/dbraw/zinc/48/67/91/386486791.db2.gz YVENZGRDNQNBAU-VHSXEESVSA-N 1 0 234.365 0.726 20 30 BCEDRO C=CCSCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000417348900 386488217 /nfs/dbraw/zinc/48/82/17/386488217.db2.gz ZBGUFYDQFPFZHJ-IUCAKERBSA-N 1 0 231.365 0.941 20 30 BCEDRO C=CCC[C@@H]([NH2+]CCS(=O)(=O)NC)C1CC1 ZINC000187189419 386490587 /nfs/dbraw/zinc/49/05/87/386490587.db2.gz CGTDFLLYIJVHCE-LLVKDONJSA-N 1 0 246.376 0.870 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H]([C@@H](C)[NH3+])C2)C1=O ZINC000519607228 386504298 /nfs/dbraw/zinc/50/42/98/386504298.db2.gz PMDBYYQOTWCZET-WOPDTQHZSA-N 1 0 237.347 0.442 20 30 BCEDRO C=CCCN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000335447162 386515469 /nfs/dbraw/zinc/51/54/69/386515469.db2.gz MWYCXNMPXUIVBG-UHFFFAOYSA-N 1 0 223.276 0.237 20 30 BCEDRO C[C@@H](O)[C@@H]1C[C@H](C)CC[N@@H+]1CC(=O)NCC#N ZINC000408432108 386585358 /nfs/dbraw/zinc/58/53/58/386585358.db2.gz DHKUIKWWDJWVNS-MXWKQRLJSA-N 1 0 239.319 0.107 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000123209850 386547560 /nfs/dbraw/zinc/54/75/60/386547560.db2.gz HZRBSESPFRLCRX-AOOOYVTPSA-N 1 0 239.319 0.871 20 30 BCEDRO C=CCNC(=O)CN(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000123430974 386553538 /nfs/dbraw/zinc/55/35/38/386553538.db2.gz KENOQZZDSPQHQN-VXGBXAGGSA-N 1 0 239.363 0.703 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CCCO2)C1 ZINC000328798799 386625303 /nfs/dbraw/zinc/62/53/03/386625303.db2.gz WZXDMWSXCZMOFH-GHMZBOCLSA-N 1 0 242.319 0.843 20 30 BCEDRO C[C@@H]1C[N@H+](CC(C)(C)O)CCN1CCC#N ZINC000408440506 386634463 /nfs/dbraw/zinc/63/44/63/386634463.db2.gz COJCKMPFOCCWEB-LLVKDONJSA-N 1 0 225.336 0.677 20 30 BCEDRO CN1C[C@H](C(=O)NCC[NH+]2CCC2)CC1=O ZINC000328859683 386634903 /nfs/dbraw/zinc/63/49/03/386634903.db2.gz YOYICNJGGCBIGI-SECBINFHSA-N 1 0 225.292 0.127 20 30 BCEDRO C[C@@H](CNC(=O)N[C@@H]1CC[C@H](C#N)C1)[NH+](C)C ZINC000425589631 386659775 /nfs/dbraw/zinc/65/97/75/386659775.db2.gz QCUAKDYOCKEQPE-GARJFASQSA-N 1 0 238.335 0.928 20 30 BCEDRO N#Cc1csc(C[NH2+][C@]2(CO)CCOC2)c1 ZINC000184178896 386667249 /nfs/dbraw/zinc/66/72/49/386667249.db2.gz LNTGCNSKLRCTCQ-NSHDSACASA-N 1 0 238.312 0.861 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2COC[C@H]2n2ccnn2)C1 ZINC000328985837 386669162 /nfs/dbraw/zinc/66/91/62/386669162.db2.gz ZVBMJWXWNLJWFQ-FIQHERPVSA-N 1 0 247.302 0.500 20 30 BCEDRO CC#CC(=O)N1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000293998407 386674019 /nfs/dbraw/zinc/67/40/19/386674019.db2.gz XBICVAAMNFKKPB-GFCCVEGCSA-N 1 0 206.289 0.564 20 30 BCEDRO Cn1cc(C[NH2+]C[C@H](O)C2CC2)cc1C#N ZINC000232315245 386678952 /nfs/dbraw/zinc/67/89/52/386678952.db2.gz MSLOSCPRFUVXJY-LBPRGKRZSA-N 1 0 219.288 0.757 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000330437678 386694608 /nfs/dbraw/zinc/69/46/08/386694608.db2.gz PVQOQJDVPYUIQH-VIFPVBQESA-N 1 0 225.292 0.544 20 30 BCEDRO C=CCOCC[N@@H+](CC)CC(=O)N(C)C ZINC000645076686 386703747 /nfs/dbraw/zinc/70/37/47/386703747.db2.gz BLFSVNKXFCYVBW-UHFFFAOYSA-N 1 0 214.309 0.599 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1cnnn1C ZINC000321154041 386708620 /nfs/dbraw/zinc/70/86/20/386708620.db2.gz VQQCDTRLXMKDRP-SECBINFHSA-N 1 0 210.281 0.232 20 30 BCEDRO CCCN(CCO)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000330478612 386730387 /nfs/dbraw/zinc/73/03/87/386730387.db2.gz KWFYBOVVENHLTB-LLVKDONJSA-N 1 0 243.351 0.699 20 30 BCEDRO CCN(CCO)C(=O)NC1CC[NH+](CC)CC1 ZINC000330479485 386731000 /nfs/dbraw/zinc/73/10/00/386731000.db2.gz PMLSTWWDHTXRGG-UHFFFAOYSA-N 1 0 243.351 0.699 20 30 BCEDRO CN(C)C(=O)C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000185884945 386735135 /nfs/dbraw/zinc/73/51/35/386735135.db2.gz CPVFBQFBWQRUHV-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000185707192 386717707 /nfs/dbraw/zinc/71/77/07/386717707.db2.gz DLYDJDPKGRQRQX-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C[NH+]1CCC(C)CC1 ZINC000185948896 386728222 /nfs/dbraw/zinc/72/82/22/386728222.db2.gz ADDWYSVRJABPDE-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO CN(C)C(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000124987871 386753681 /nfs/dbraw/zinc/75/36/81/386753681.db2.gz WMIKREOUEBDPQE-AEJSXWLSSA-N 1 0 223.320 0.820 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@H]2CN(C)C[C@@H]21 ZINC000645150943 386758431 /nfs/dbraw/zinc/75/84/31/386758431.db2.gz VFIANMPJSCXFKT-NEPJUHHUSA-N 1 0 210.321 0.825 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@H](NC(N)=O)C1 ZINC000330506739 386762209 /nfs/dbraw/zinc/76/22/09/386762209.db2.gz AIPFLGPJQZEVNP-VIFPVBQESA-N 1 0 242.348 0.790 20 30 BCEDRO CCCN(CC#N)C(=O)[C@@H]1C[C@H](OC)CN1C ZINC000330566119 386790568 /nfs/dbraw/zinc/79/05/68/386790568.db2.gz LZWBXHLWXJXZRH-QWRGUYRKSA-N 1 0 239.319 0.468 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000334636506 386771286 /nfs/dbraw/zinc/77/12/86/386771286.db2.gz XNMPSKQCWJXJDH-MNOVXSKESA-N 1 0 244.360 0.528 20 30 BCEDRO C=CC[NH+](CC=C)CCCOC(=O)NC(N)=O ZINC000125196829 386774605 /nfs/dbraw/zinc/77/46/05/386774605.db2.gz JHPBSDSVFMWJKB-UHFFFAOYSA-N 1 0 241.291 0.855 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000330526249 386775892 /nfs/dbraw/zinc/77/58/92/386775892.db2.gz LTIGVXHBPXLACQ-GFCCVEGCSA-N 1 0 236.319 0.681 20 30 BCEDRO C[C@@]1(CNC(=O)NCCCC#N)CCC[NH2+]C1 ZINC000417993252 386799256 /nfs/dbraw/zinc/79/92/56/386799256.db2.gz AFRALAALNZSDCA-GFCCVEGCSA-N 1 0 238.335 0.979 20 30 BCEDRO C[C@H](CCO)NC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000330594094 386804909 /nfs/dbraw/zinc/80/49/09/386804909.db2.gz AXLKYYRFXWLGQC-GMTAPVOTSA-N 1 0 243.351 0.744 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1cnc2n[nH]nc2c1 ZINC000330680099 386827439 /nfs/dbraw/zinc/82/74/39/386827439.db2.gz NGYIJYPTLBOJEN-ZETCQYMHSA-N 1 0 248.290 0.608 20 30 BCEDRO CC#CCN(C)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000341060559 386830859 /nfs/dbraw/zinc/83/08/59/386830859.db2.gz ZLPSRXHUWANDAW-WDEREUQCSA-N 1 0 208.305 0.666 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](O)CCC)C1=O ZINC000450909854 386831943 /nfs/dbraw/zinc/83/19/43/386831943.db2.gz UGQHXMLONKHDQN-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1CNC(=[NH2+])NCCOC ZINC000280666912 386835005 /nfs/dbraw/zinc/83/50/05/386835005.db2.gz YCZAFVJNVSCUTP-WDEREUQCSA-N 1 0 241.335 0.518 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@H]1CC[NH2+]C1 ZINC000417880574 386841588 /nfs/dbraw/zinc/84/15/88/386841588.db2.gz DDLLDCGJPCNLSI-JTQLQIEISA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCN1CC[C@H](N2CC[NH2+]C[C@H]2C)C1=O ZINC000334783781 386842962 /nfs/dbraw/zinc/84/29/62/386842962.db2.gz BTNOWOMZBKVYAJ-MNOVXSKESA-N 1 0 223.320 0.067 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@H]1CC2CCC1CC2 ZINC000336674925 386849962 /nfs/dbraw/zinc/84/99/62/386849962.db2.gz KSSOSMLXVZUBGI-ILDUYXDCSA-N 1 0 221.304 0.794 20 30 BCEDRO C=C(C)C[NH+]1CCC(NCc2ncnn2C)CC1 ZINC000638523840 386857403 /nfs/dbraw/zinc/85/74/03/386857403.db2.gz HNJJYEPGJUJPBY-UHFFFAOYSA-N 1 0 249.362 0.945 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@H]1CCC[N@H+]1C ZINC000330707307 386861219 /nfs/dbraw/zinc/86/12/19/386861219.db2.gz PKFRZOZBSOPFLJ-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CCSCC[NH+]=C(N(C)C)N(C)C ZINC000178582051 533200953 /nfs/dbraw/zinc/20/09/53/533200953.db2.gz DCGVXIMCLOAFOS-UHFFFAOYSA-N 1 0 213.350 0.832 20 30 BCEDRO N#C[C@@H]1CCC[C@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000330816220 386896298 /nfs/dbraw/zinc/89/62/98/386896298.db2.gz GFMHECPBURKLKB-DTWKUNHWSA-N 1 0 236.275 0.024 20 30 BCEDRO C[NH2+]C[C@H](C)CNC(=O)N[C@@H]1CCC[C@H]1C#N ZINC000418012860 386906837 /nfs/dbraw/zinc/90/68/37/386906837.db2.gz MOQYGAWJOZWZGU-GARJFASQSA-N 1 0 238.335 0.833 20 30 BCEDRO CN(C[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1)C1CC1 ZINC000514598750 387007505 /nfs/dbraw/zinc/00/75/05/387007505.db2.gz KEXRVDVKDUSVEA-DMDPSCGWSA-N 1 0 237.347 0.723 20 30 BCEDRO [NH3+][C@H]1CCN(C(=O)NCC#Cc2ccccc2)C1 ZINC000334892517 386965236 /nfs/dbraw/zinc/96/52/36/386965236.db2.gz MFKALIPORLLNPJ-ZDUSSCGKSA-N 1 0 243.310 0.781 20 30 BCEDRO C[NH+](C)[C@H]1CN(CCC(C)(C)C#N)C[C@@H]1O ZINC000518996282 386977485 /nfs/dbraw/zinc/97/74/85/386977485.db2.gz YBGULXBMRWIWDD-QWRGUYRKSA-N 1 0 225.336 0.533 20 30 BCEDRO C=CCOCC(=O)NC1(C[NH+](C)C)CCC1 ZINC000341944801 387000743 /nfs/dbraw/zinc/00/07/43/387000743.db2.gz JONGPEWMEMGQAT-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C[C@H](CNC(=O)Nc1ccncn1)[NH+](C)C ZINC000331311667 387002857 /nfs/dbraw/zinc/00/28/57/387002857.db2.gz ZVXHQKJTTFLMPP-MRVPVSSYSA-N 1 0 223.280 0.753 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@H](C)C[NH3+] ZINC000417895310 387006267 /nfs/dbraw/zinc/00/62/67/387006267.db2.gz URPQTYGUJWWXKE-SNVBAGLBSA-N 1 0 229.324 0.473 20 30 BCEDRO N#Cc1ccc(CN2CCO[C@H](CO)C2)cc1 ZINC000094268491 386950111 /nfs/dbraw/zinc/95/01/11/386950111.db2.gz NHTFADPGXZZNCI-ZDUSSCGKSA-N 1 0 232.283 0.751 20 30 BCEDRO N#CCc1ccc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)cc1 ZINC000398980950 387032600 /nfs/dbraw/zinc/03/26/00/387032600.db2.gz FYQAHLWRPVYBNN-UONOGXRCSA-N 1 0 246.310 0.538 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cnc(N(C)C)n1C ZINC000425383407 387033565 /nfs/dbraw/zinc/03/35/65/387033565.db2.gz PIDWNCRQPOQJMM-VIFPVBQESA-N 1 0 224.308 0.123 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CCC[NH2+][C@@H]1C ZINC000334957819 387037255 /nfs/dbraw/zinc/03/72/55/387037255.db2.gz SKLBEAOZFCQLAD-NXEZZACHSA-N 1 0 209.293 0.449 20 30 BCEDRO CC#CCCNC(=O)N[C@H](C)CCC[NH3+] ZINC000418028751 387038823 /nfs/dbraw/zinc/03/88/23/387038823.db2.gz KQMQIYOMKCONEL-SNVBAGLBSA-N 1 0 211.309 0.826 20 30 BCEDRO CC#CCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000418029835 387040287 /nfs/dbraw/zinc/04/02/87/387040287.db2.gz LYACEYQQIGRFMU-UHFFFAOYSA-N 1 0 209.293 0.531 20 30 BCEDRO CC#CCCNC(=O)NCC[NH2+]CCC ZINC000418035536 387059518 /nfs/dbraw/zinc/05/95/18/387059518.db2.gz VFLCOCKPHSJQFE-UHFFFAOYSA-N 1 0 211.309 0.699 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+]C(C)(C)CN(C)C)C1=O ZINC000459569368 387060748 /nfs/dbraw/zinc/06/07/48/387060748.db2.gz XXNOOINGRCIPSD-LLVKDONJSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCCCCNC(=O)NCC1C[NH2+]C1 ZINC000418036384 387064174 /nfs/dbraw/zinc/06/41/74/387064174.db2.gz QJKYWGUQBQBBBS-UHFFFAOYSA-N 1 0 211.309 0.861 20 30 BCEDRO C=CC1CCN(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)CC1 ZINC000334939288 387015486 /nfs/dbraw/zinc/01/54/86/387015486.db2.gz GYPBEMLURISACW-GDNZZTSVSA-N 1 0 235.331 0.812 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417897724 387015811 /nfs/dbraw/zinc/01/58/11/387015811.db2.gz YDWURORZZRAIDH-NSHDSACASA-N 1 0 241.335 0.616 20 30 BCEDRO CC#CCCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000418024214 387022399 /nfs/dbraw/zinc/02/23/99/387022399.db2.gz DCBWLKASOPOWDI-MNOVXSKESA-N 1 0 223.320 0.779 20 30 BCEDRO CC#CCCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418037813 387066140 /nfs/dbraw/zinc/06/61/40/387066140.db2.gz XRNWKOSIESTFDF-LLVKDONJSA-N 1 0 223.320 0.699 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[C@@H](C[NH3+])C1 ZINC000418038731 387071390 /nfs/dbraw/zinc/07/13/90/387071390.db2.gz ZBEGSSZNEVIHJN-GHMZBOCLSA-N 1 0 223.320 0.826 20 30 BCEDRO CC#CCN(CCC)[C@@H]1CCS(=O)(=O)C1 ZINC000157647168 387072569 /nfs/dbraw/zinc/07/25/69/387072569.db2.gz GMELERQRQUTVPY-LLVKDONJSA-N 1 0 229.345 0.909 20 30 BCEDRO C[C@@H]1CCC[C@H](C)[N@H+]1CC(=O)NCC#N ZINC000066531207 387086608 /nfs/dbraw/zinc/08/66/08/387086608.db2.gz UBUKNDKGQUIDLF-AOOOYVTPSA-N 1 0 209.293 0.889 20 30 BCEDRO CCC(CC)[N@H+](CCOC)CC(=O)NCC#N ZINC000066500702 387087430 /nfs/dbraw/zinc/08/74/30/387087430.db2.gz ZUBDHSQIBVZGHH-UHFFFAOYSA-N 1 0 241.335 0.763 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@]3(CC[NH2+]C3)C2)C1=O ZINC000334995893 387088402 /nfs/dbraw/zinc/08/84/02/387088402.db2.gz OBPCUCLJTHZRLG-OCCSQVGLSA-N 1 0 249.358 0.459 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@@]3(CC[NH2+]C3)C2)C1=O ZINC000334995894 387088755 /nfs/dbraw/zinc/08/87/55/387088755.db2.gz OBPCUCLJTHZRLG-TZMCWYRMSA-N 1 0 249.358 0.459 20 30 BCEDRO C=C(C)C[N@H+](CC)CCNS(=O)(=O)CC ZINC000069219896 387116211 /nfs/dbraw/zinc/11/62/11/387116211.db2.gz MILPELFPZPIJNM-UHFFFAOYSA-N 1 0 234.365 0.824 20 30 BCEDRO CC#CCNC(=O)Nc1ccn(CC[NH+](C)C)n1 ZINC000186614232 387117751 /nfs/dbraw/zinc/11/77/51/387117751.db2.gz SBRHBNFJPSAABL-UHFFFAOYSA-N 1 0 249.318 0.590 20 30 BCEDRO C[NH2+]C[C@@H](C)CNC(=O)NCC1(CC#N)CC1 ZINC000418128645 387158925 /nfs/dbraw/zinc/15/89/25/387158925.db2.gz TUPQKHQXCLYTMR-SNVBAGLBSA-N 1 0 238.335 0.835 20 30 BCEDRO N#CCC1(CNC(=O)N[C@H]2CCC[NH2+]C2)CC1 ZINC000418132715 387162411 /nfs/dbraw/zinc/16/24/11/387162411.db2.gz ZMKJSZAPPASHDB-JTQLQIEISA-N 1 0 236.319 0.731 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418140964 387163953 /nfs/dbraw/zinc/16/39/53/387163953.db2.gz IKSYUMPIPCNXKB-MNOVXSKESA-N 1 0 241.335 0.710 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)NCC#Cc1cccc(F)c1 ZINC000418150678 387178663 /nfs/dbraw/zinc/17/86/63/387178663.db2.gz DFLQSEGXAFJIGS-SNVBAGLBSA-N 1 0 249.289 0.824 20 30 BCEDRO C=CCNC(=O)[C@H](C)N(C)CC[N@H+](C)C1CC1 ZINC000186781205 387134336 /nfs/dbraw/zinc/13/43/36/387134336.db2.gz ZNUGUHSZXVTDQA-NSHDSACASA-N 1 0 239.363 0.703 20 30 BCEDRO Cc1cc(NCC[NH+](C)C)c(C#N)cn1 ZINC000399725128 387138324 /nfs/dbraw/zinc/13/83/24/387138324.db2.gz JZZVADREMOGYHH-UHFFFAOYSA-N 1 0 204.277 0.657 20 30 BCEDRO CC[NH+](CC)CCN1CCCC[C@H]1/C(N)=N/O ZINC000230059669 387229363 /nfs/dbraw/zinc/22/93/63/387229363.db2.gz RKYCEIJMZUEUNW-NSHDSACASA-N 1 0 242.367 0.929 20 30 BCEDRO CC1CC(C#N)(C(=O)N2C[C@@H]3C[N@@H+](C)C[C@@H]3C2)C1 ZINC000572095136 387233700 /nfs/dbraw/zinc/23/37/00/387233700.db2.gz GRHWOSIGMRNTDP-OEIYDUSMSA-N 1 0 247.342 0.946 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000352481924 387248094 /nfs/dbraw/zinc/24/80/94/387248094.db2.gz RHGPQXYECDPSQU-SNVBAGLBSA-N 1 0 232.287 0.605 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000352482208 387248629 /nfs/dbraw/zinc/24/86/29/387248629.db2.gz SKFXGYLFAIIXMM-SNVBAGLBSA-N 1 0 232.287 0.903 20 30 BCEDRO CSC[C@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000514933819 387317098 /nfs/dbraw/zinc/31/70/98/387317098.db2.gz ZSEMFTOKTOUEQY-WDEREUQCSA-N 1 0 245.392 0.534 20 30 BCEDRO CN(CC[NH2+]CCC#N)CC(F)(F)F ZINC000572235600 387284298 /nfs/dbraw/zinc/28/42/98/387284298.db2.gz BAWQDMFIBMKJNH-UHFFFAOYSA-N 1 0 209.215 0.984 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)C1(C#N)CCCC1 ZINC000514794750 387292459 /nfs/dbraw/zinc/29/24/59/387292459.db2.gz CYFXBGFYJWLMPF-VIFPVBQESA-N 1 0 209.293 0.924 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)CSC ZINC000514856672 387297789 /nfs/dbraw/zinc/29/77/89/387297789.db2.gz UBQNHSWNEBISDX-AXFHLTTASA-N 1 0 231.361 0.891 20 30 BCEDRO Cn1cc(C[N@@H+]2CC[C@H](O)C2)cc1C#N ZINC000191236876 387355975 /nfs/dbraw/zinc/35/59/75/387355975.db2.gz KTNCEWRGYAZWHL-NSHDSACASA-N 1 0 205.261 0.463 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)Cn2cccn2)C1 ZINC000515467528 387381865 /nfs/dbraw/zinc/38/18/65/387381865.db2.gz BCHWLZYABFZZQI-QJPTWQEYSA-N 1 0 234.303 0.526 20 30 BCEDRO C#CCCNC(=O)NC1CC[NH+](C)CC1 ZINC000265072054 387382295 /nfs/dbraw/zinc/38/22/95/387382295.db2.gz YOLNCMDWZULZHY-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[NH2+]C[C@H]2C)nn1 ZINC000648124081 387427082 /nfs/dbraw/zinc/42/70/82/387427082.db2.gz QCZMCKJDWHKJAF-NXEZZACHSA-N 1 0 249.318 0.192 20 30 BCEDRO C#CCN(CC#C)Cc1cnn(CCOC)c1 ZINC000271167180 387440959 /nfs/dbraw/zinc/44/09/59/387440959.db2.gz GJECNCOQZMFOBJ-UHFFFAOYSA-N 1 0 231.299 0.598 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CCC[C@@](C)(O)C1 ZINC000300769926 387444861 /nfs/dbraw/zinc/44/48/61/387444861.db2.gz ASQDEIKQCKGLRQ-MWLCHTKSSA-N 1 0 213.277 0.561 20 30 BCEDRO C=CCOCC(=O)N[C@H](C[NH3+])C(C)(C)C ZINC000423948682 387455979 /nfs/dbraw/zinc/45/59/79/387455979.db2.gz GEZHQQZRTQFKQR-SECBINFHSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCOCC(=O)N(C)[C@@H](C[NH3+])C1CC1 ZINC000423962333 387459178 /nfs/dbraw/zinc/45/91/78/387459178.db2.gz VBHVQVFZLKLYME-JTQLQIEISA-N 1 0 212.293 0.385 20 30 BCEDRO CN(C[C@@H](O)C[NH2+]CC(C)(C)CC#N)C1CC1 ZINC000515637590 387404729 /nfs/dbraw/zinc/40/47/29/387404729.db2.gz AQFFAKGVBQUAPK-LBPRGKRZSA-N 1 0 239.363 0.971 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000515655919 387413417 /nfs/dbraw/zinc/41/34/17/387413417.db2.gz WPUVNOPUHGZXLQ-JTQLQIEISA-N 1 0 246.314 0.831 20 30 BCEDRO C=C(CC)C[NH2+]Cc1ccc(S(N)(=O)=O)o1 ZINC000313531688 387421741 /nfs/dbraw/zinc/42/17/41/387421741.db2.gz FXQLOQRSLHFMJG-UHFFFAOYSA-N 1 0 244.316 0.983 20 30 BCEDRO C[C@H](O)C[N@@H+]1CC[C@H](Oc2ccc(C#N)cn2)C1 ZINC000292379646 387493675 /nfs/dbraw/zinc/49/36/75/387493675.db2.gz ZCTMNINRJJIOQK-JQWIXIFHSA-N 1 0 247.298 0.787 20 30 BCEDRO C=C(C)CC[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000274850865 387495613 /nfs/dbraw/zinc/49/56/13/387495613.db2.gz QYCAQWZIRWLAJO-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C#C[C@@H](C)[NH2+][C@H](Cc1ccc(F)cc1)C(N)=O ZINC000274844853 387495956 /nfs/dbraw/zinc/49/59/56/387495956.db2.gz XGXQMUPHPKNJQS-BXKDBHETSA-N 1 0 234.274 0.833 20 30 BCEDRO CCN(C)C(=O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000191616710 387500572 /nfs/dbraw/zinc/50/05/72/387500572.db2.gz GLVJXQQAMAOLRF-UHFFFAOYSA-N 1 0 234.303 0.465 20 30 BCEDRO CO/N=C/C(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000375087837 387508923 /nfs/dbraw/zinc/50/89/23/387508923.db2.gz BPQSXKNEBYUXTH-VSXLWIIGSA-N 1 0 239.319 0.705 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000375080812 387510123 /nfs/dbraw/zinc/51/01/23/387510123.db2.gz NFHNQCRFLRBNQN-BOSVEMQVSA-N 1 0 239.319 0.561 20 30 BCEDRO CCCN(CC#N)CCN1CCOC[C@@H]1C ZINC000192722789 387526117 /nfs/dbraw/zinc/52/61/17/387526117.db2.gz BMHZQHRJLVENTG-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO CC#CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000277322550 387533533 /nfs/dbraw/zinc/53/35/33/387533533.db2.gz FYJULZLBMYOOJJ-QWRGUYRKSA-N 1 0 206.289 0.753 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)CC[NH3+] ZINC000423998237 387463800 /nfs/dbraw/zinc/46/38/00/387463800.db2.gz AMLDNAKYLNHXSC-SECBINFHSA-N 1 0 200.282 0.385 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000424030215 387468808 /nfs/dbraw/zinc/46/88/08/387468808.db2.gz ZTSVEDSSUGUKGW-GHMZBOCLSA-N 1 0 226.320 0.632 20 30 BCEDRO C=CCCn1cc(C(=O)N2CCC[NH2+]CC2)nn1 ZINC000424056316 387471500 /nfs/dbraw/zinc/47/15/00/387471500.db2.gz HCRBAICMPINDIH-UHFFFAOYSA-N 1 0 249.318 0.290 20 30 BCEDRO C[C@@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC000424059957 387473540 /nfs/dbraw/zinc/47/35/40/387473540.db2.gz BZBBTVQRZSHSBG-NXEZZACHSA-N 1 0 225.292 0.255 20 30 BCEDRO C=CCCn1cc(C(=O)N(C)[C@H](C)C[NH3+])nn1 ZINC000424073365 387478835 /nfs/dbraw/zinc/47/88/35/387478835.db2.gz FGXMJRBANHBFQP-SECBINFHSA-N 1 0 237.307 0.273 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC[C@H](C)[NH3+] ZINC000424080262 387480961 /nfs/dbraw/zinc/48/09/61/387480961.db2.gz SKPAHQONGSJLDV-AXFHLTTASA-N 1 0 226.320 0.821 20 30 BCEDRO C=C(C)CC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000274800165 387488768 /nfs/dbraw/zinc/48/87/68/387488768.db2.gz QSIGMYVBBDBPKO-ZJUUUORDSA-N 1 0 212.293 0.527 20 30 BCEDRO CC1CC(NC(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424122505 387586454 /nfs/dbraw/zinc/58/64/54/387586454.db2.gz JNDHMGLCENRVCQ-UDNWOFFPSA-N 1 0 209.293 0.922 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)NCC1(C#N)CC1 ZINC000514704761 387593720 /nfs/dbraw/zinc/59/37/20/387593720.db2.gz JUSREKKIJUEGHS-JTQLQIEISA-N 1 0 236.319 0.684 20 30 BCEDRO N#CCCN1CCC(O)(C(F)F)CC1 ZINC000426248953 387551329 /nfs/dbraw/zinc/55/13/29/387551329.db2.gz NZAHYAFCMGBNDA-UHFFFAOYSA-N 1 0 204.220 0.992 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N[C@H](C)CC[NH+](C)C ZINC000278969047 387559061 /nfs/dbraw/zinc/55/90/61/387559061.db2.gz XKEVPLZZLPANDC-ZYHUDNBSSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000278969040 387559219 /nfs/dbraw/zinc/55/92/19/387559219.db2.gz XKEVPLZZLPANDC-CMPLNLGQSA-N 1 0 228.336 0.770 20 30 BCEDRO COCCCN(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424115802 387559324 /nfs/dbraw/zinc/55/93/24/387559324.db2.gz VWUKSBMZJOABIV-SNVBAGLBSA-N 1 0 227.308 0.502 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000418776814 387574190 /nfs/dbraw/zinc/57/41/90/387574190.db2.gz XTVNHWOTGZDHAS-VHSXEESVSA-N 1 0 227.308 0.239 20 30 BCEDRO C[C@]1(CNC(=O)[C@H]([NH3+])CCCC#N)CCCO1 ZINC000424134415 387638778 /nfs/dbraw/zinc/63/87/78/387638778.db2.gz IBRBGXOPJAAOJW-ZYHUDNBSSA-N 1 0 239.319 0.693 20 30 BCEDRO C[C@@H](Cn1cccn1)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424137490 387668339 /nfs/dbraw/zinc/66/83/39/387668339.db2.gz ASWWEPYXVSIXLW-QWRGUYRKSA-N 1 0 249.318 0.409 20 30 BCEDRO C=C(C)CS(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000451926107 387682145 /nfs/dbraw/zinc/68/21/45/387682145.db2.gz HPMOGRVEORUXGL-VIFPVBQESA-N 1 0 220.338 0.432 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1COC[C@H]1OCC ZINC000451940910 387684664 /nfs/dbraw/zinc/68/46/64/387684664.db2.gz WKSWUBVLUIGYMN-IJLUTSLNSA-N 1 0 229.320 0.707 20 30 BCEDRO CC(C)[C@@H](CCO)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000424140283 387689109 /nfs/dbraw/zinc/68/91/09/387689109.db2.gz NYNZWQXOKKXYSZ-WDEREUQCSA-N 1 0 241.335 0.531 20 30 BCEDRO CN(CCn1cccn1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424140573 387691599 /nfs/dbraw/zinc/69/15/99/387691599.db2.gz GHPROWMEXDQFNN-LLVKDONJSA-N 1 0 249.318 0.363 20 30 BCEDRO CC[N@H+](CCCSCC#N)[C@@H]1CCNC1=O ZINC000440971247 387720036 /nfs/dbraw/zinc/72/00/36/387720036.db2.gz XXBKFXGYURILKK-SNVBAGLBSA-N 1 0 241.360 0.844 20 30 BCEDRO C=C(C)CC[N@@H+]1CCOC[C@@H]1CC(N)=O ZINC000452087514 387731960 /nfs/dbraw/zinc/73/19/60/387731960.db2.gz QRVJRAFPIDNAMG-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C[C@@H]1CN(C)CCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424145702 387768722 /nfs/dbraw/zinc/76/87/22/387768722.db2.gz OGYBPJVCIAKEGC-GHMZBOCLSA-N 1 0 238.335 0.170 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](O)[C@H]2CCCO2)C1 ZINC000527957658 387785066 /nfs/dbraw/zinc/78/50/66/387785066.db2.gz RWSGVXFZVBJRJV-WRWGMCAJSA-N 1 0 224.304 0.808 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@H](O)COC(C)C ZINC000168714229 387793427 /nfs/dbraw/zinc/79/34/27/387793427.db2.gz GFCUERKZHCWFTM-LBPRGKRZSA-N 1 0 231.336 0.955 20 30 BCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)C1CCOCC1 ZINC000353987625 387840986 /nfs/dbraw/zinc/84/09/86/387840986.db2.gz QMJRRKLCYLBYHU-JTQLQIEISA-N 1 0 249.318 0.554 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433017530 387850809 /nfs/dbraw/zinc/85/08/09/387850809.db2.gz YNBIYEODKAWJPM-LLVKDONJSA-N 1 0 238.331 0.668 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H](CO)[C@H]2CCOC2)C1 ZINC000442861161 387852713 /nfs/dbraw/zinc/85/27/13/387852713.db2.gz DACCNFHRQXQLLF-XQHKEYJVSA-N 1 0 238.331 0.913 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H](CO)[C@@H]2CCOC2)C1 ZINC000442861157 387853281 /nfs/dbraw/zinc/85/32/81/387853281.db2.gz DACCNFHRQXQLLF-NDBYEHHHSA-N 1 0 238.331 0.913 20 30 BCEDRO C=CCn1cc(CN[C@H]2C[N@H+](CC)C[C@@H]2C)nn1 ZINC000424166812 387854488 /nfs/dbraw/zinc/85/44/88/387854488.db2.gz BKTQEDUEENFPKS-AAEUAGOBSA-N 1 0 249.362 0.894 20 30 BCEDRO C[NH+](C)CC(=O)NCc1ccc(C#N)cc1 ZINC000169810661 387871076 /nfs/dbraw/zinc/87/10/76/387871076.db2.gz UTPJIJOBOZBYSK-UHFFFAOYSA-N 1 0 217.272 0.736 20 30 BCEDRO C=CCn1cc(C[NH2+]C[C@@H]2CCCOC2)nn1 ZINC000424176803 387887156 /nfs/dbraw/zinc/88/71/56/387887156.db2.gz YIQCJBAJKZCUIT-NSHDSACASA-N 1 0 236.319 0.980 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC(C)(C)C1 ZINC000174255660 387904251 /nfs/dbraw/zinc/90/42/51/387904251.db2.gz LLEWXFUZDYJXPY-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@@H](O)COC(C)C ZINC000168714132 387904763 /nfs/dbraw/zinc/90/47/63/387904763.db2.gz GFCUERKZHCWFTM-GFCCVEGCSA-N 1 0 231.336 0.955 20 30 BCEDRO CO[C@H](C)[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424189375 387911935 /nfs/dbraw/zinc/91/19/35/387911935.db2.gz NCEZFZGWJQZKKH-IVZWLZJFSA-N 1 0 227.308 0.547 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CC[NH2+]C ZINC000424210282 387930171 /nfs/dbraw/zinc/93/01/71/387930171.db2.gz NJFAJQAVNXJAGO-UWVGGRQHSA-N 1 0 212.293 0.303 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CCC[NH2+]C ZINC000424214052 387933191 /nfs/dbraw/zinc/93/31/91/387933191.db2.gz WFTPQPGVXGXSOS-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO CNC(NCc1cccnc1-n1cccn1)=[NH+]C ZINC000195522388 387922514 /nfs/dbraw/zinc/92/25/14/387922514.db2.gz RZYVQGFZARQQLS-UHFFFAOYSA-N 1 0 244.302 0.562 20 30 BCEDRO CC#CCC[N@H+](CCO)C1CCOCC1 ZINC000444772096 387926290 /nfs/dbraw/zinc/92/62/90/387926290.db2.gz TUPMXZRNCDTJAQ-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CCCC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424223648 387938541 /nfs/dbraw/zinc/93/85/41/387938541.db2.gz IKRCEKOQQKSXNH-NWDGAFQWSA-N 1 0 248.330 0.639 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044828087 387944083 /nfs/dbraw/zinc/94/40/83/387944083.db2.gz IXBPGSINFCQQKJ-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CCN1CCOC[C@H]1C#N ZINC000245594207 387963888 /nfs/dbraw/zinc/96/38/88/387963888.db2.gz HBADQBUMRDHXDB-NWDGAFQWSA-N 1 0 223.320 0.695 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H]2CCOC[C@H]2C)nn1 ZINC000424296401 387957068 /nfs/dbraw/zinc/95/70/68/387957068.db2.gz OIOUENBBJNGVLJ-PWSUYJOCSA-N 1 0 236.319 0.979 20 30 BCEDRO COCCC[N@H+](CCO)CC1(C#N)CC1 ZINC000446071309 387993291 /nfs/dbraw/zinc/99/32/91/387993291.db2.gz MBOVGZJJMMEGBS-UHFFFAOYSA-N 1 0 212.293 0.621 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C(=O)NCC)C(C)C ZINC000339317491 135070352 /nfs/dbraw/zinc/07/03/52/135070352.db2.gz PDLGBGVHVRQKBR-LLVKDONJSA-N 1 0 228.336 0.939 20 30 BCEDRO C=CCn1cc(CN[C@H]2C[NH2+]CC[C@H]2C)nn1 ZINC000424376357 387998796 /nfs/dbraw/zinc/99/87/96/387998796.db2.gz LLRFLJSQZJJNHV-PWSUYJOCSA-N 1 0 235.335 0.552 20 30 BCEDRO C=CCn1cc(CN[C@@H]2C[NH2+]CC[C@@H]2C)nn1 ZINC000424376355 387999241 /nfs/dbraw/zinc/99/92/41/387999241.db2.gz LLRFLJSQZJJNHV-CMPLNLGQSA-N 1 0 235.335 0.552 20 30 BCEDRO C[C@H](CC[NH3+])NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424479514 388035608 /nfs/dbraw/zinc/03/56/08/388035608.db2.gz OTVDRINLQZDSOF-KXUCPTDWSA-N 1 0 224.308 0.715 20 30 BCEDRO CC#CC[NH2+][C@@H](CC(N)=O)C1CCOCC1 ZINC000159750371 388030040 /nfs/dbraw/zinc/03/00/40/388030040.db2.gz SUVHDSRSYYSSRE-NSHDSACASA-N 1 0 224.304 0.270 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000453353347 388056844 /nfs/dbraw/zinc/05/68/44/388056844.db2.gz LIMFPFSWGSMGEH-IJLUTSLNSA-N 1 0 212.337 0.853 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CCC(CO)(OC)CC1 ZINC000447406051 388070145 /nfs/dbraw/zinc/07/01/45/388070145.db2.gz SLHYWTZPYRFNCK-GFCCVEGCSA-N 1 0 243.347 0.787 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H](C)[NH2+]C[C@H]1C ZINC000646298192 388178314 /nfs/dbraw/zinc/17/83/14/388178314.db2.gz KEDHVZCTFHIBQU-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C(Br)CNC1=[NH+]C[C@H](C)N1 ZINC000261528176 135153588 /nfs/dbraw/zinc/15/35/88/135153588.db2.gz JKBGAHUURUYBGF-LURJTMIESA-N 1 0 218.098 0.832 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000448920386 388120494 /nfs/dbraw/zinc/12/04/94/388120494.db2.gz GLCUQUDYOFXYJW-NQBHXWOUSA-N 1 0 233.315 0.843 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CCC[N@H+]1C ZINC000448975693 388124602 /nfs/dbraw/zinc/12/46/02/388124602.db2.gz IVSIAMOQEGLYKU-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CCN(CC#C)C(=O)/C=C\C[NH+](C)C ZINC000490778630 388253795 /nfs/dbraw/zinc/25/37/95/388253795.db2.gz HXIOVVQUJPOGNS-FPLPWBNLSA-N 1 0 204.273 0.199 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OCCOCC)CC1 ZINC000490865326 388257577 /nfs/dbraw/zinc/25/75/77/388257577.db2.gz ASFPYBXBPSWOQU-UHFFFAOYSA-N 1 0 239.315 0.911 20 30 BCEDRO C=CCC[C@@H](NC(=O)C[NH+](C)C)C(=O)OCC ZINC000456637149 388211803 /nfs/dbraw/zinc/21/18/03/388211803.db2.gz YWEXFZPZPYYTCF-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO C=C[C@H]1CCCC[N@H+]1CCCS(=O)(=O)NC ZINC000489510213 388219445 /nfs/dbraw/zinc/21/94/45/388219445.db2.gz LPCPELYTUQCWOL-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NCCC[NH2+]CC ZINC000518140702 256560082 /nfs/dbraw/zinc/56/00/82/256560082.db2.gz ODAYSRVEJJRPEM-NSHDSACASA-N 1 0 243.351 0.470 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[NH+](C2CCC2)CC1 ZINC000490656731 388246160 /nfs/dbraw/zinc/24/61/60/388246160.db2.gz MDLONENWGGRXFB-LBPRGKRZSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000490697230 388248169 /nfs/dbraw/zinc/24/81/69/388248169.db2.gz JTFDYDFANSPMFV-UWVGGRQHSA-N 1 0 209.293 0.402 20 30 BCEDRO C#CC[N@@H+](C)CCC(=O)N1CCC[C@@H]1C ZINC000491286985 388282418 /nfs/dbraw/zinc/28/24/18/388282418.db2.gz KBNPHCMTRZKRHF-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCNC(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000491371185 388289318 /nfs/dbraw/zinc/28/93/18/388289318.db2.gz DAYQFTWMTACCLU-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCNC(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000491380925 388290320 /nfs/dbraw/zinc/29/03/20/388290320.db2.gz BRDUWAYWFSDPAB-UWVGGRQHSA-N 1 0 209.293 0.436 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)Cc1cc(C)n[nH]1 ZINC000491386046 388290757 /nfs/dbraw/zinc/29/07/57/388290757.db2.gz UHDNAJZNMWUJKH-JTQLQIEISA-N 1 0 248.330 0.378 20 30 BCEDRO C#C[C@H]1COCCN1C[C@@H]([NH3+])CC(C)C ZINC000491384259 388290809 /nfs/dbraw/zinc/29/08/09/388290809.db2.gz OFHFHWLEDFHUJX-RYUDHWBXSA-N 1 0 210.321 0.694 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000491387829 388291307 /nfs/dbraw/zinc/29/13/07/388291307.db2.gz YVWSVIVAJYNZTC-URLYPYJESA-N 1 0 219.288 0.011 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000491405408 388292512 /nfs/dbraw/zinc/29/25/12/388292512.db2.gz IPSLDHMIFKRMNE-MNOVXSKESA-N 1 0 240.372 0.904 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000491417221 388293095 /nfs/dbraw/zinc/29/30/95/388293095.db2.gz MUGHJIJTWGGSDG-VXGBXAGGSA-N 1 0 223.247 0.443 20 30 BCEDRO C#CCN(C(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000491473537 388296979 /nfs/dbraw/zinc/29/69/79/388296979.db2.gz FEKMOOCUZWUUOT-UHFFFAOYSA-N 1 0 235.331 0.888 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@](C)(O)CCC ZINC000491483331 388297503 /nfs/dbraw/zinc/29/75/03/388297503.db2.gz BBIMNRVQOVFFOU-CYBMUJFWSA-N 1 0 240.347 0.609 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2COCC2(C)C)C1=O ZINC000451814319 388298448 /nfs/dbraw/zinc/29/84/48/388298448.db2.gz SYHWKEYPZAJIFP-GHMZBOCLSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000491543549 388302514 /nfs/dbraw/zinc/30/25/14/388302514.db2.gz HBZMMZVFEGVCPZ-LBPRGKRZSA-N 1 0 233.315 0.392 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CC(=O)OCC ZINC000491547160 388303023 /nfs/dbraw/zinc/30/30/23/388303023.db2.gz ZBXJEJOJTACWSP-UHFFFAOYSA-N 1 0 240.303 0.011 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)C(C)C ZINC000491556076 388303626 /nfs/dbraw/zinc/30/36/26/388303626.db2.gz VXQZXPRXOWJHDO-UWVGGRQHSA-N 1 0 217.334 0.667 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@H](O)CSC ZINC000491615464 388304620 /nfs/dbraw/zinc/30/46/20/388304620.db2.gz DDQZZUNIWLTWJV-NSHDSACASA-N 1 0 230.377 0.255 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@@H](O)CSC ZINC000491615463 388304637 /nfs/dbraw/zinc/30/46/37/388304637.db2.gz DDQZZUNIWLTWJV-LLVKDONJSA-N 1 0 230.377 0.255 20 30 BCEDRO C#CCN(CC)C(=O)NCC1CC[NH2+]CC1 ZINC000491626747 388305826 /nfs/dbraw/zinc/30/58/26/388305826.db2.gz LTLJFFQQCSTPNB-UHFFFAOYSA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCNC(=O)C1CC[NH+]([C@H](C)COC)CC1 ZINC000491629281 388306483 /nfs/dbraw/zinc/30/64/83/388306483.db2.gz LVQBPAHBDYAGIX-LLVKDONJSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1CC(F)(F)C1 ZINC000491632478 388306633 /nfs/dbraw/zinc/30/66/33/388306633.db2.gz PGXMZGFIEFOBDY-UHFFFAOYSA-N 1 0 230.258 0.761 20 30 BCEDRO C#CCN(C)C(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000491631103 388306770 /nfs/dbraw/zinc/30/67/70/388306770.db2.gz RGNOJLNDSKFSOI-PHIMTYICSA-N 1 0 208.305 0.951 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CCSC)CC1 ZINC000491634392 388306884 /nfs/dbraw/zinc/30/68/84/388306884.db2.gz JOXFLUWWIJDIPI-UHFFFAOYSA-N 1 0 240.372 0.811 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)C[C@H](C)CO ZINC000491634904 388307001 /nfs/dbraw/zinc/30/70/01/388307001.db2.gz SXQXVCRTBQENGP-NWDGAFQWSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(O)(CC)CC1 ZINC000491634928 388307093 /nfs/dbraw/zinc/30/70/93/388307093.db2.gz REUOWHJMWFLWLP-UHFFFAOYSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](C)C#N ZINC000491642869 388307529 /nfs/dbraw/zinc/30/75/29/388307529.db2.gz CLLVBORURNWCHH-LLVKDONJSA-N 1 0 236.319 0.400 20 30 BCEDRO C#CC[N@H+](C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000491652649 388308157 /nfs/dbraw/zinc/30/81/57/388308157.db2.gz BIFPBKFFENEMRF-TXEJJXNPSA-N 1 0 208.305 0.415 20 30 BCEDRO C#CCNC(=O)N1CCCC[C@H]1[C@H](C)[NH3+] ZINC000491654573 388308308 /nfs/dbraw/zinc/30/83/08/388308308.db2.gz FZPMMPBJTWTOLK-UWVGGRQHSA-N 1 0 209.293 0.531 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)COC1CCOCC1 ZINC000491654513 388308353 /nfs/dbraw/zinc/30/83/53/388308353.db2.gz AOFWOZFSEPRMFO-NWDGAFQWSA-N 1 0 241.331 0.496 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)/C=C\OCC ZINC000491654137 388308390 /nfs/dbraw/zinc/30/83/90/388308390.db2.gz FIAWINDTLAQCNE-XFFZJAGNSA-N 1 0 224.304 0.608 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C#C)CC ZINC000491655384 388308401 /nfs/dbraw/zinc/30/84/01/388308401.db2.gz HKAQMPCGBXPAPN-LBPRGKRZSA-N 1 0 235.331 0.653 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@@H]([NH3+])CC ZINC000491658561 388308789 /nfs/dbraw/zinc/30/87/89/388308789.db2.gz KKJYXCZMSWFWMG-UWVGGRQHSA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@H]1COCCN1C[C@@H]1CC2(CC2)C(=O)O1 ZINC000491663249 388309240 /nfs/dbraw/zinc/30/92/40/388309240.db2.gz PCLMKUFRPZMQAV-QWRGUYRKSA-N 1 0 235.283 0.416 20 30 BCEDRO C#CCN1C(=O)C[C@H]([NH+]2CCC(C)CC2)C1=O ZINC000491672501 388309722 /nfs/dbraw/zinc/30/97/22/388309722.db2.gz SAWDEEXJVMGQJE-NSHDSACASA-N 1 0 234.299 0.479 20 30 BCEDRO C#CCO[C@@H](C)C(=O)OC[C@@H]1CCC[N@@H+]1CC#C ZINC000491672276 388309886 /nfs/dbraw/zinc/30/98/86/388309886.db2.gz ROXHWZMSBQGDHT-STQMWFEESA-N 1 0 249.310 0.666 20 30 BCEDRO C#CCN(C(=S)NCC[NH+](C)C)C1CC1 ZINC000491680048 388310383 /nfs/dbraw/zinc/31/03/83/388310383.db2.gz HJPSBCOEHJMZLQ-UHFFFAOYSA-N 1 0 225.361 0.520 20 30 BCEDRO C#CCN(C(=O)N[C@H](C)CC[NH3+])C1CC1 ZINC000491679611 388310485 /nfs/dbraw/zinc/31/04/85/388310485.db2.gz XOWXEDLLKUNGAV-SECBINFHSA-N 1 0 209.293 0.531 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)Cc1cnn(C)c1C ZINC000491703784 388312898 /nfs/dbraw/zinc/31/28/98/388312898.db2.gz XQBHMSGCPLDOIK-UHFFFAOYSA-N 1 0 248.330 0.300 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H]1C(C)C ZINC000491702994 388313030 /nfs/dbraw/zinc/31/30/30/388313030.db2.gz IYWRPTZDCBQFNT-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H]1CC[NH2+]C1)C(C)C ZINC000491711501 388313734 /nfs/dbraw/zinc/31/37/34/388313734.db2.gz VHNGTEPCLYIVNN-UWVGGRQHSA-N 1 0 209.293 0.305 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@@H](OC)C1CC1 ZINC000491712924 388314002 /nfs/dbraw/zinc/31/40/02/388314002.db2.gz IVRVVQBKNNBNGW-ZWNOBZJWSA-N 1 0 238.331 0.529 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cc1C ZINC000491715594 388314223 /nfs/dbraw/zinc/31/42/23/388314223.db2.gz KMXFLGUSNCGSJK-WCQYABFASA-N 1 0 237.274 0.751 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cc1C ZINC000491715593 388314277 /nfs/dbraw/zinc/31/42/77/388314277.db2.gz KMXFLGUSNCGSJK-DGCLKSJQSA-N 1 0 237.274 0.751 20 30 BCEDRO C#C[C@H]1COCCN1CCn1cc(C)cn1 ZINC000491716328 388314343 /nfs/dbraw/zinc/31/43/43/388314343.db2.gz SZDXZIOEOLNOEE-LBPRGKRZSA-N 1 0 219.288 0.526 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1(OC)CCC1 ZINC000491716401 388314399 /nfs/dbraw/zinc/31/43/99/388314399.db2.gz NEFUWIHVBGNNAI-UHFFFAOYSA-N 1 0 224.304 0.285 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(OC)nc1 ZINC000491724754 388314768 /nfs/dbraw/zinc/31/47/68/388314768.db2.gz AEPRBGOKMPMEHL-UHFFFAOYSA-N 1 0 247.298 0.319 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccc(F)n1 ZINC000491725752 388315004 /nfs/dbraw/zinc/31/50/04/388315004.db2.gz IFSZITKXIQKANX-UHFFFAOYSA-N 1 0 235.262 0.450 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCC[NH+](CC)CC ZINC000491726716 388315420 /nfs/dbraw/zinc/31/54/20/388315420.db2.gz AIZGYOZFRLCJST-LLVKDONJSA-N 1 0 225.336 0.991 20 30 BCEDRO C#C[C@@H](NC(=O)N1CC[NH2+][C@@H](C)C1)C(C)C ZINC000491730789 388315593 /nfs/dbraw/zinc/31/55/93/388315593.db2.gz HYPSTIYXJNKNCL-WDEREUQCSA-N 1 0 223.320 0.648 20 30 BCEDRO C#C[C@H]1COCCN1C[C@@H](O)C(C)(C)C ZINC000491753808 388315840 /nfs/dbraw/zinc/31/58/40/388315840.db2.gz PVSPBIDHKZWNLY-WDEREUQCSA-N 1 0 211.305 0.727 20 30 BCEDRO C#CCNC(=O)NCCCC[N@@H+](C)C1CC1 ZINC000491732987 388315945 /nfs/dbraw/zinc/31/59/45/388315945.db2.gz RCLMFBMYZSOKSV-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1snnc1C ZINC000491738517 388316529 /nfs/dbraw/zinc/31/65/29/388316529.db2.gz FZMFUUUFYFVULW-UHFFFAOYSA-N 1 0 238.316 0.076 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000491738845 388316630 /nfs/dbraw/zinc/31/66/30/388316630.db2.gz WRSLUHNKINGGBE-VIFPVBQESA-N 1 0 245.273 0.648 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000491748658 388317174 /nfs/dbraw/zinc/31/71/74/388317174.db2.gz YHKQBHNWZPYZBC-UTUOFQBUSA-N 1 0 236.315 0.235 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491751886 388318027 /nfs/dbraw/zinc/31/80/27/388318027.db2.gz LLUXZVRWXIKNMS-JTQLQIEISA-N 1 0 221.304 0.498 20 30 BCEDRO C#C[C@@H](C)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000491758182 388318325 /nfs/dbraw/zinc/31/83/25/388318325.db2.gz HMHLYQMROBCQRP-PWSUYJOCSA-N 1 0 210.321 0.395 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000491775719 388319562 /nfs/dbraw/zinc/31/95/62/388319562.db2.gz VJMSXSUEYLMHDG-WDEREUQCSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CCN(C)C(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000491782372 388320613 /nfs/dbraw/zinc/32/06/13/388320613.db2.gz LXAYAOYLTGZOQO-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCN(C)C(=O)NCCC[NH2+]C(C)C ZINC000491784556 388320914 /nfs/dbraw/zinc/32/09/14/388320914.db2.gz QXWNXJXIKQAWDR-UHFFFAOYSA-N 1 0 211.309 0.649 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOCC1CC1 ZINC000491792436 388321161 /nfs/dbraw/zinc/32/11/61/388321161.db2.gz GAEYBWQWDWJIMW-UHFFFAOYSA-N 1 0 224.304 0.142 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000491802873 388321498 /nfs/dbraw/zinc/32/14/98/388321498.db2.gz HLGNMXOZLOLCHV-GHMZBOCLSA-N 1 0 223.320 0.779 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OCC ZINC000491802214 388321551 /nfs/dbraw/zinc/32/15/51/388321551.db2.gz FTRJFQAIILVWMX-QJPTWQEYSA-N 1 0 238.331 0.672 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000491808206 388322497 /nfs/dbraw/zinc/32/24/97/388322497.db2.gz VOEZPTZSCUBDNC-SNVBAGLBSA-N 1 0 209.293 0.355 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@H](CC)C1 ZINC000491810449 388322692 /nfs/dbraw/zinc/32/26/92/388322692.db2.gz IMAZPHWLIYAMLB-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1CCCO[C@H](CC)C1 ZINC000491810446 388322776 /nfs/dbraw/zinc/32/27/76/388322776.db2.gz IMAZPHWLIYAMLB-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCN1CCN(C(=O)C[NH+]2[C@@H](C)C[C@@H]2C)CC1 ZINC000491039370 388265833 /nfs/dbraw/zinc/26/58/33/388265833.db2.gz OERIEDLEMNTSBV-STQMWFEESA-N 1 0 249.358 0.247 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCN1CCO[C@H](C)C1 ZINC000491043867 388267144 /nfs/dbraw/zinc/26/71/44/388267144.db2.gz FCPSXIAXNWEBPF-VXGBXAGGSA-N 1 0 210.321 0.661 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCN1CCO[C@H](C)C1 ZINC000491043865 388267223 /nfs/dbraw/zinc/26/72/23/388267223.db2.gz FCPSXIAXNWEBPF-NWDGAFQWSA-N 1 0 210.321 0.661 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)O[C@@H](C)[C@H]1C ZINC000491119441 388270206 /nfs/dbraw/zinc/27/02/06/388270206.db2.gz ISIXQLDUEUFHGC-TUAOUCFPSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](C)[C@@H]1CO ZINC000491120191 388271073 /nfs/dbraw/zinc/27/10/73/388271073.db2.gz LPPSPCMHMDZZAY-NEPJUHHUSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](C)O[C@@H](CC)C1 ZINC000491120786 388271352 /nfs/dbraw/zinc/27/13/52/388271352.db2.gz NTVHCEJJMRSCAR-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000491127309 388272205 /nfs/dbraw/zinc/27/22/05/388272205.db2.gz WEIHPIILEJCMFQ-VXGBXAGGSA-N 1 0 249.358 0.341 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](CO)C[C@@H]1C ZINC000491165142 388273451 /nfs/dbraw/zinc/27/34/51/388273451.db2.gz IVYCRXOISBJBMJ-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CC2(F)CC2)CC1 ZINC000491154326 388273486 /nfs/dbraw/zinc/27/34/86/388273486.db2.gz IHZKBJXTKCEAQN-UHFFFAOYSA-N 1 0 238.306 0.950 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000491154472 388273631 /nfs/dbraw/zinc/27/36/31/388273631.db2.gz JQRFINONOISXIK-NWDGAFQWSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCOC[C@H]1CC ZINC000491201341 388276152 /nfs/dbraw/zinc/27/61/52/388276152.db2.gz GSBRWWSFFIECIW-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](OC)C1(C)C ZINC000451483560 388277010 /nfs/dbraw/zinc/27/70/10/388277010.db2.gz AYEUNBZLWVPAID-NXEZZACHSA-N 1 0 226.320 0.692 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@H+]2C[C@H](C)[C@@H]2C)CC1 ZINC000491210008 388277991 /nfs/dbraw/zinc/27/79/91/388277991.db2.gz OWILSHKRGOCKLH-STQMWFEESA-N 1 0 249.358 0.104 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1=CCCCO1 ZINC000491230544 388278816 /nfs/dbraw/zinc/27/88/16/388278816.db2.gz NIXDWPZMGBSIRV-UHFFFAOYSA-N 1 0 236.315 0.752 20 30 BCEDRO CCC[C@@H](C(=O)N1CCO[C@H](C#N)C1)[NH+](C)C ZINC000162031307 388345927 /nfs/dbraw/zinc/34/59/27/388345927.db2.gz YYJZQSFFMYVZCJ-MNOVXSKESA-N 1 0 239.319 0.468 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1ccnc(C#N)c1 ZINC000193423322 388347311 /nfs/dbraw/zinc/34/73/11/388347311.db2.gz IVHXRUDFLZYLLE-UHFFFAOYSA-N 1 0 232.287 0.587 20 30 BCEDRO C=C[C@H](O)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000646657260 388404592 /nfs/dbraw/zinc/40/45/92/388404592.db2.gz MVDDUKKWVYVVCG-ZDUSSCGKSA-N 1 0 248.326 0.911 20 30 BCEDRO C=CCN(C)C(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000646405252 388351016 /nfs/dbraw/zinc/35/10/16/388351016.db2.gz YGTHRPVWOCIETI-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO N#Cc1ccc2c(c1)CN(C(=O)NCCC[NH3+])C2 ZINC000594534414 388357092 /nfs/dbraw/zinc/35/70/92/388357092.db2.gz XQEXNQSZHOVPLG-UHFFFAOYSA-N 1 0 244.298 0.932 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@H](NC(N)=O)C2)c1 ZINC000270577877 388359133 /nfs/dbraw/zinc/35/91/33/388359133.db2.gz CHJOXOUKAXUPOQ-LBPRGKRZSA-N 1 0 244.298 0.801 20 30 BCEDRO C[C@@H]1OCC[C@@]1(O)C[NH2+]Cc1ccc(C#N)o1 ZINC000227972617 388374855 /nfs/dbraw/zinc/37/48/55/388374855.db2.gz VAMMOIUWGNFCDZ-JOYOIKCWSA-N 1 0 236.271 0.781 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C[N@@H+]1CCC(C)(C)C1 ZINC000572778235 388375900 /nfs/dbraw/zinc/37/59/00/388375900.db2.gz BPYNJWAIKQEKTD-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C[NH+](C)CCNC(=O)NCc1cccc(C#N)c1 ZINC000133414522 388384794 /nfs/dbraw/zinc/38/47/94/388384794.db2.gz GLPDOXVIMHAFNK-UHFFFAOYSA-N 1 0 246.314 0.919 20 30 BCEDRO C=C[C@H](O)C(=O)NCCC[NH+]1CCCCC1 ZINC000646592283 388391809 /nfs/dbraw/zinc/39/18/09/388391809.db2.gz OUULBAVDJHVYCR-NSHDSACASA-N 1 0 226.320 0.526 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000646618335 388395523 /nfs/dbraw/zinc/39/55/23/388395523.db2.gz LPOLPWGIHFTKCX-LLVKDONJSA-N 1 0 224.304 0.276 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)/C=C\C[NH+](C)C ZINC000492204355 388338241 /nfs/dbraw/zinc/33/82/41/388338241.db2.gz ZGAZARUTNNMCPY-GZTOBOFZSA-N 1 0 225.292 0.149 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cncs1 ZINC000393924318 388446001 /nfs/dbraw/zinc/44/60/01/388446001.db2.gz DRAKIQUPGXFQRM-UHFFFAOYSA-N 1 0 237.328 0.828 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](COCC)C1 ZINC000176321345 388451506 /nfs/dbraw/zinc/45/15/06/388451506.db2.gz RZWWMFLQCOJPKF-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@H](C)[NH3+] ZINC000194945618 388457677 /nfs/dbraw/zinc/45/76/77/388457677.db2.gz BRJGOMYKWXWZSO-IUCAKERBSA-N 1 0 200.282 0.431 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000336674172 388461847 /nfs/dbraw/zinc/46/18/47/388461847.db2.gz KBIYTXUCPNCIMO-QWRGUYRKSA-N 1 0 247.360 0.338 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H](c2cc[nH]n2)C1 ZINC000193851807 388467203 /nfs/dbraw/zinc/46/72/03/388467203.db2.gz IVPFFOPRGNBVMA-NSHDSACASA-N 1 0 248.330 0.891 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648852455 388470975 /nfs/dbraw/zinc/47/09/75/388470975.db2.gz GAMWBSPQNHTUSR-IJLUTSLNSA-N 1 0 240.347 0.627 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648856727 388472028 /nfs/dbraw/zinc/47/20/28/388472028.db2.gz YRLWOYJDVXGWDP-GHMZBOCLSA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000339082424 388477214 /nfs/dbraw/zinc/47/72/14/388477214.db2.gz FHVDRUMKJXCLRA-TUAOUCFPSA-N 1 0 211.305 0.892 20 30 BCEDRO CCNC(=O)C[N@H+](CC)CCOCCC#N ZINC000338892594 388478150 /nfs/dbraw/zinc/47/81/50/388478150.db2.gz PSVKQXDRSNECDG-UHFFFAOYSA-N 1 0 227.308 0.375 20 30 BCEDRO C[C@H]1CC[N@H+](CCNC(=O)C(C)(C)C#N)C1 ZINC000524775951 388409387 /nfs/dbraw/zinc/40/93/87/388409387.db2.gz DTWMCBHYYVHTLL-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000646691278 388418701 /nfs/dbraw/zinc/41/87/01/388418701.db2.gz UTZRHPVPYLHJNK-NSHDSACASA-N 1 0 224.304 0.088 20 30 BCEDRO C=CCN(CC=C)C(=O)CN(CC)CC[NH3+] ZINC000300874134 388421916 /nfs/dbraw/zinc/42/19/16/388421916.db2.gz XXABEFCOAIBITR-UHFFFAOYSA-N 1 0 225.336 0.468 20 30 BCEDRO C=CCOCCN[C@@H](C)c1ncn(C)n1 ZINC000339110071 388479656 /nfs/dbraw/zinc/47/96/56/388479656.db2.gz FDTXHYXHRLDZSD-VIFPVBQESA-N 1 0 210.281 0.668 20 30 BCEDRO C[C@H](C(=O)NCC#N)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000245704392 388429139 /nfs/dbraw/zinc/42/91/39/388429139.db2.gz YEPYVLHBUYNSNL-KXUCPTDWSA-N 1 0 209.293 0.887 20 30 BCEDRO OCC(CO)[NH2+]CC#Cc1ccc(F)cc1 ZINC000517171603 388540384 /nfs/dbraw/zinc/54/03/84/388540384.db2.gz OQVIPXBJNDQDAU-UHFFFAOYSA-N 1 0 223.247 0.120 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@@H]2C[C@@H]21 ZINC000491503168 256788499 /nfs/dbraw/zinc/78/84/99/256788499.db2.gz BGEJVGXLSFOFAD-WHOHXGKFSA-N 1 0 220.316 0.903 20 30 BCEDRO C#CCNC(=O)CC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000086573130 256796867 /nfs/dbraw/zinc/79/68/67/256796867.db2.gz AEOQMHJMJIOERB-FGWVZKOKSA-N 1 0 206.289 0.657 20 30 BCEDRO C=CCN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000178471902 388500256 /nfs/dbraw/zinc/50/02/56/388500256.db2.gz VQOXNYYECODVBK-LBPRGKRZSA-N 1 0 210.321 0.827 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000646794154 388506865 /nfs/dbraw/zinc/50/68/65/388506865.db2.gz XJEXOSHOFFNSLV-SNVBAGLBSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000646795958 388507234 /nfs/dbraw/zinc/50/72/34/388507234.db2.gz CXZAVAVTDITEIM-ZJUUUORDSA-N 1 0 212.293 0.086 20 30 BCEDRO COC(=O)N1CC(NC(=[NH2+])N2CCCCC2)C1 ZINC000179015099 388507954 /nfs/dbraw/zinc/50/79/54/388507954.db2.gz LRBUAIUKYFIVER-UHFFFAOYSA-N 1 0 240.307 0.238 20 30 BCEDRO C#CCNC(=O)N[C@@H](CC(C)C)C[NH+](C)C ZINC000079264251 388529228 /nfs/dbraw/zinc/52/92/28/388529228.db2.gz BBPPYZDALOMAFF-NSHDSACASA-N 1 0 225.336 0.895 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)N1CCO[C@H](C[NH3+])C1 ZINC000516190873 256767695 /nfs/dbraw/zinc/76/76/95/256767695.db2.gz VOQNIWJGNJECIF-WDEREUQCSA-N 1 0 226.320 0.775 20 30 BCEDRO C[NH+](C)C1CN(c2cnccc2C#N)C1 ZINC000273382408 388598374 /nfs/dbraw/zinc/59/83/74/388598374.db2.gz YZTWLOGGOQBIOG-UHFFFAOYSA-N 1 0 202.261 0.703 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H]1CC[N@@H+]1C1CCCC1 ZINC000530026459 388605726 /nfs/dbraw/zinc/60/57/26/388605726.db2.gz IPABDHBMYLDWDZ-VXGBXAGGSA-N 1 0 238.331 0.666 20 30 BCEDRO C[C@]1(CO)CN(CCC#N)C[C@@]1(C)CO ZINC000528752340 388566246 /nfs/dbraw/zinc/56/62/46/388566246.db2.gz XLIHLLIAYWURFW-PHIMTYICSA-N 1 0 212.293 0.213 20 30 BCEDRO CO[C@H]1C[NH+](Cc2cc(C#N)n(C)c2)C[C@@H]1OC ZINC000488593316 388582995 /nfs/dbraw/zinc/58/29/95/388582995.db2.gz SVQOLEUKFUKFHQ-STQMWFEESA-N 1 0 249.314 0.742 20 30 BCEDRO CC#CCCCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000184798654 388583331 /nfs/dbraw/zinc/58/33/31/388583331.db2.gz UILOHIXQOGGNRB-CYBMUJFWSA-N 1 0 240.347 0.609 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@H]2CCC[C@@H]21 ZINC000247479467 388665376 /nfs/dbraw/zinc/66/53/76/388665376.db2.gz JYMYVKNWMIPDAV-MNOVXSKESA-N 1 0 221.304 0.891 20 30 BCEDRO CNC(=O)[C@@H]([NH2+]Cc1ccc(C#N)cn1)C(C)C ZINC000520604561 388669303 /nfs/dbraw/zinc/66/93/03/388669303.db2.gz TZQGHQYFUOGKRH-LBPRGKRZSA-N 1 0 246.314 0.813 20 30 BCEDRO C[NH2+]CCNC(=O)NCc1cccc(C#N)c1 ZINC000416997722 388672665 /nfs/dbraw/zinc/67/26/65/388672665.db2.gz RLWHWOKHAAUZHE-UHFFFAOYSA-N 1 0 232.287 0.577 20 30 BCEDRO CC[N@H+](CCNc1ncncc1C#N)C(C)C ZINC000521617881 388672726 /nfs/dbraw/zinc/67/27/26/388672726.db2.gz LJYRSYPMJQYBQV-UHFFFAOYSA-N 1 0 233.319 0.912 20 30 BCEDRO CC[NH2+]CCNC(=O)NCc1cccc(C#N)c1 ZINC000416997367 388673267 /nfs/dbraw/zinc/67/32/67/388673267.db2.gz REAKINHJPSFNTR-UHFFFAOYSA-N 1 0 246.314 0.967 20 30 BCEDRO C[C@H]([NH3+])C(=O)N1Cc2cccc(C#N)c2C1 ZINC000405112728 388637626 /nfs/dbraw/zinc/63/76/26/388637626.db2.gz PPOPNFQSRRSFCF-QMMMGPOBSA-N 1 0 215.256 0.748 20 30 BCEDRO C[C@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(C#N)cc1 ZINC000251229913 388642829 /nfs/dbraw/zinc/64/28/29/388642829.db2.gz ATEUFVREVMFDQD-ZWKOPEQDSA-N 1 0 232.283 0.969 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCS(=O)(=O)C2)C1 ZINC000328618227 388645337 /nfs/dbraw/zinc/64/53/37/388645337.db2.gz UXLSKPNDKHPBIR-VWYCJHECSA-N 1 0 242.344 0.845 20 30 BCEDRO C=CC[C@@H](C)NC(=O)CCOC1C[NH2+]C1 ZINC000261555115 388649470 /nfs/dbraw/zinc/64/94/70/388649470.db2.gz USFBJXFHDQGPDU-SECBINFHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCN(C[C@@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000261586327 135227912 /nfs/dbraw/zinc/22/79/12/135227912.db2.gz RAYPNHHCZHKQFH-NXEZZACHSA-N 1 0 232.349 0.009 20 30 BCEDRO C=CC[NH+]1CCC(CS(N)(=O)=O)CC1 ZINC000089991270 388744093 /nfs/dbraw/zinc/74/40/93/388744093.db2.gz XKNOIFBCCDOHSN-UHFFFAOYSA-N 1 0 218.322 0.173 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)c1ccc(C#N)n1C ZINC000448982945 388746323 /nfs/dbraw/zinc/74/63/23/388746323.db2.gz YQEOYZSTXWNCQB-UHFFFAOYSA-N 1 0 248.330 0.967 20 30 BCEDRO C[NH+](C)C1CN(c2cccnc2C#N)C1 ZINC000277953317 388751901 /nfs/dbraw/zinc/75/19/01/388751901.db2.gz WGHRTIBGKFOEBN-UHFFFAOYSA-N 1 0 202.261 0.703 20 30 BCEDRO CC[NH+](CC)CC(=O)Nc1n[nH]c(C)c1C#N ZINC000278581478 388755666 /nfs/dbraw/zinc/75/56/66/388755666.db2.gz JNTCEGYOKDVJLD-UHFFFAOYSA-N 1 0 235.291 0.870 20 30 BCEDRO CC(C)NC(=[NH2+])NCC1([S@@](C)=O)CC1 ZINC000262826269 135319615 /nfs/dbraw/zinc/31/96/15/135319615.db2.gz ZSFVFEDUZGRRAM-CQSZACIVSA-N 1 0 217.338 0.210 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C[C@H](C)O)[C@H](C)CO ZINC000248988979 388703964 /nfs/dbraw/zinc/70/39/64/388703964.db2.gz WUEWXPXHYPTSNV-WOPDTQHZSA-N 1 0 231.336 0.377 20 30 BCEDRO CC[N@@H+]1CC[C@@H](CNC(=O)CSCC#N)C1 ZINC000193546590 388708352 /nfs/dbraw/zinc/70/83/52/388708352.db2.gz ZZWICCGHGQFQQQ-JTQLQIEISA-N 1 0 241.360 0.701 20 30 BCEDRO C[NH+](C)CCNC(=O)Cc1cccc(C#N)c1 ZINC000533554227 388724797 /nfs/dbraw/zinc/72/47/97/388724797.db2.gz JXRWSETUKRXICX-UHFFFAOYSA-N 1 0 231.299 0.779 20 30 BCEDRO Cn1cc(C[N@@H+]2CC[C@H](CC(N)=O)C2)cc1C#N ZINC000377840912 388725492 /nfs/dbraw/zinc/72/54/92/388725492.db2.gz WVOWLIWEEKWRHB-SNVBAGLBSA-N 1 0 246.314 0.594 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](C)C[C@H]1C(N)=O ZINC000249544238 388726518 /nfs/dbraw/zinc/72/65/18/388726518.db2.gz FVDAVLYMJBZAAD-SRVKXCTJSA-N 1 0 240.347 0.899 20 30 BCEDRO C=CCCC[C@H](C)NC(=O)C(=O)NC[C@@H](C)[NH3+] ZINC000642639265 388806756 /nfs/dbraw/zinc/80/67/56/388806756.db2.gz SZIJICYYUTXVIM-ZJUUUORDSA-N 1 0 241.335 0.311 20 30 BCEDRO C[C@@H](CNC(=O)c1ccnc(C#N)c1)[NH+](C)C ZINC000280105220 388779081 /nfs/dbraw/zinc/77/90/81/388779081.db2.gz BQALVJZEKDFZBQ-VIFPVBQESA-N 1 0 232.287 0.633 20 30 BCEDRO C=C(C)CC[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000229078393 388779554 /nfs/dbraw/zinc/77/95/54/388779554.db2.gz GVOAVUKPTKXLTE-ZJUUUORDSA-N 1 0 213.277 0.561 20 30 BCEDRO COCC[C@H](CO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000282308105 388814685 /nfs/dbraw/zinc/81/46/85/388814685.db2.gz SFFWUZSGPMQRHD-LLVKDONJSA-N 1 0 237.303 0.384 20 30 BCEDRO C[NH+](C)C1CN(c2ccnc(C#N)c2)C1 ZINC000283749418 388824909 /nfs/dbraw/zinc/82/49/09/388824909.db2.gz KSEREBJEXPPXAO-UHFFFAOYSA-N 1 0 202.261 0.703 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000541017244 388836881 /nfs/dbraw/zinc/83/68/81/388836881.db2.gz DCZXAXMQQNOTME-GMTAPVOTSA-N 1 0 238.335 0.928 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)NCCCC#N ZINC000541831154 388869798 /nfs/dbraw/zinc/86/97/98/388869798.db2.gz BWXLYANGQXTEHY-UHFFFAOYSA-N 1 0 226.324 0.883 20 30 BCEDRO C[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000564845415 388894643 /nfs/dbraw/zinc/89/46/43/388894643.db2.gz XVJBAQUJYTYCJC-FRRDWIJNSA-N 1 0 239.363 0.971 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)CCOC(C)C ZINC000564978915 388903573 /nfs/dbraw/zinc/90/35/73/388903573.db2.gz PWLOFDJVVXWUAW-VXGBXAGGSA-N 1 0 231.336 0.689 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)[C@H](CC)[NH+](C)C ZINC000649185545 388899909 /nfs/dbraw/zinc/89/99/09/388899909.db2.gz GPHIQLXLHUNGCF-MNOVXSKESA-N 1 0 226.320 0.217 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CCC[C@@](O)(CO)C1 ZINC000565049965 388911254 /nfs/dbraw/zinc/91/12/54/388911254.db2.gz VAFNTIGZZOXYOU-QWRGUYRKSA-N 1 0 212.293 0.498 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN(C)CC(C)(C)C#N ZINC000565175777 388921639 /nfs/dbraw/zinc/92/16/39/388921639.db2.gz WWNKCRUPVDLCGY-LLVKDONJSA-N 1 0 227.352 0.781 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN1CC(C)(C#N)C1 ZINC000565233741 388930056 /nfs/dbraw/zinc/93/00/56/388930056.db2.gz RIDPEVHPCRCYMO-NSHDSACASA-N 1 0 225.336 0.533 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC[C@H](C[NH3+])C2)C1=O ZINC000565775738 388968864 /nfs/dbraw/zinc/96/88/64/388968864.db2.gz VZXSIWCLKXDKBQ-VXGBXAGGSA-N 1 0 237.347 0.444 20 30 BCEDRO CSC[C@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000566004976 388981723 /nfs/dbraw/zinc/98/17/23/388981723.db2.gz MKFVQHXBYNVSEN-SECBINFHSA-N 1 0 214.334 0.994 20 30 BCEDRO COC[C@H](C)OC[C@H](O)C[NH2+]CCCC#N ZINC000565829312 388971428 /nfs/dbraw/zinc/97/14/28/388971428.db2.gz HFOJMSFUOIYNEY-WDEREUQCSA-N 1 0 230.308 0.292 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000368412960 533295661 /nfs/dbraw/zinc/29/56/61/533295661.db2.gz QPMYEONBSRPAJF-SDDRHHMPSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@H](CC)NC(=[NH2+])N1CCSCC1 ZINC000262553561 533298808 /nfs/dbraw/zinc/29/88/08/533298808.db2.gz VNTKHUDZXVSEIR-SECBINFHSA-N 1 0 211.334 0.762 20 30 BCEDRO C#Cc1ccc(C[NH2+]C[C@@]2(O)CCOC2)cc1 ZINC000290054165 533343508 /nfs/dbraw/zinc/34/35/08/533343508.db2.gz JYDZBHDFDIJQMC-AWEZNQCLSA-N 1 0 231.295 0.909 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000336155773 533527599 /nfs/dbraw/zinc/52/75/99/533527599.db2.gz NCGXFRINQZOFSS-GHMZBOCLSA-N 1 0 246.376 0.965 20 30 BCEDRO C=C(C)CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000263062222 533485155 /nfs/dbraw/zinc/48/51/55/533485155.db2.gz FPXBULKQKKNJQS-JTQLQIEISA-N 1 0 211.309 0.988 20 30 BCEDRO C=C(C)C[N@@H+](C)CC(=O)NCCC(=O)OC ZINC000181295890 533494734 /nfs/dbraw/zinc/49/47/34/533494734.db2.gz ANYLUVGJHGURRW-UHFFFAOYSA-N 1 0 228.292 0.174 20 30 BCEDRO C=C(C)C[N@@H+](CC)CC(=O)N1CCNC1=O ZINC000120118753 533505789 /nfs/dbraw/zinc/50/57/89/533505789.db2.gz VIIKGKVRZSDTGB-UHFFFAOYSA-N 1 0 225.292 0.436 20 30 BCEDRO N#Cc1cc(N2CC[NH+](CCCO)CC2)ccn1 ZINC000286391494 132214908 /nfs/dbraw/zinc/21/49/08/132214908.db2.gz TUQSSBHWFXXOOJ-UHFFFAOYSA-N 1 0 246.314 0.458 20 30 BCEDRO C[C@@H]1CN(c2ccc(C#N)cn2)CC[N@@H+]1CCO ZINC000302453608 132263678 /nfs/dbraw/zinc/26/36/78/132263678.db2.gz SPHGZDMPZXGAOK-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO C[C@@H]1C[NH2+]CCN1c1ncccc1C#N ZINC000054375231 132364203 /nfs/dbraw/zinc/36/42/03/132364203.db2.gz XSMPLBONDBFNBW-SECBINFHSA-N 1 0 202.261 0.751 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N(CC)CC ZINC000272803983 133543916 /nfs/dbraw/zinc/54/39/16/133543916.db2.gz GPYBNAVBHILCLY-UHFFFAOYSA-N 1 0 247.364 0.244 20 30 BCEDRO CN(C(=[NH2+])NCCNc1ccccn1)C1CC1 ZINC000273337644 133545392 /nfs/dbraw/zinc/54/53/92/133545392.db2.gz LNQWVKWRKOAXIL-UHFFFAOYSA-N 1 0 233.319 0.902 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)c1cc(C)cc(C)c1 ZINC000282741025 133560062 /nfs/dbraw/zinc/56/00/62/133560062.db2.gz XYYBWVRHFWDZIV-NSHDSACASA-N 1 0 221.304 0.871 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H](O)Cc2ccccc2)N1 ZINC000285080417 133563396 /nfs/dbraw/zinc/56/33/96/133563396.db2.gz NEFAOGYQSVCOCY-ZYHUDNBSSA-N 1 0 233.315 0.527 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H]2CC[C@H]([NH3+])[C@@H]2C1 ZINC000331458000 134000206 /nfs/dbraw/zinc/00/02/06/134000206.db2.gz UUEPDJWOGCJPBI-TUAOUCFPSA-N 1 0 235.331 0.779 20 30 BCEDRO N#CCCNC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331823475 134002722 /nfs/dbraw/zinc/00/27/22/134002722.db2.gz ZRKFVVDIXHSYHE-SNVBAGLBSA-N 1 0 236.319 0.684 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)CC2(C[NH3+])CC2)C1 ZINC000331980201 134003046 /nfs/dbraw/zinc/00/30/46/134003046.db2.gz XNMYDKFXFVJXBW-VHSXEESVSA-N 1 0 221.304 0.924 20 30 BCEDRO N#CCCCNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000332061945 134003924 /nfs/dbraw/zinc/00/39/24/134003924.db2.gz ZAQFSQHZENJRDU-JTQLQIEISA-N 1 0 224.308 0.731 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H](C)C(C)C ZINC000332476103 134005205 /nfs/dbraw/zinc/00/52/05/134005205.db2.gz OPJBDAZZXDLGBN-JTQLQIEISA-N 1 0 241.335 0.975 20 30 BCEDRO N#CCNC(=O)CN1CCc2ccc(O)cc2C1 ZINC000332661835 134005902 /nfs/dbraw/zinc/00/59/02/134005902.db2.gz BQUQBIYPAHFWBI-UHFFFAOYSA-N 1 0 245.282 0.390 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CCOC[C@H](C)C2)C1=O ZINC000335920504 134006945 /nfs/dbraw/zinc/00/69/45/134006945.db2.gz MMQDUHXHWAFRKK-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C#N)C1CC1 ZINC000335973336 134030589 /nfs/dbraw/zinc/03/05/89/134030589.db2.gz GFKCMUYIEZHMOE-UWVGGRQHSA-N 1 0 207.277 0.499 20 30 BCEDRO N#C[C@H]1CC[C@H](N2CCN(C3CC3)C(=O)C2)C1 ZINC000335978864 134032835 /nfs/dbraw/zinc/03/28/35/134032835.db2.gz FICJYKNWGBKYPT-JQWIXIFHSA-N 1 0 233.315 0.985 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000352064482 134054872 /nfs/dbraw/zinc/05/48/72/134054872.db2.gz ZAJIKVNBIUXHRV-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO CC#CCNC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000336095084 134080264 /nfs/dbraw/zinc/08/02/64/134080264.db2.gz HIHXRGJOMICDFX-GFCCVEGCSA-N 1 0 237.347 0.991 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000336155777 134105763 /nfs/dbraw/zinc/10/57/63/134105763.db2.gz NCGXFRINQZOFSS-QWRGUYRKSA-N 1 0 246.376 0.965 20 30 BCEDRO CC[NH+](CC)[C@H](C)CNS(=O)(=O)[C@@H](C)C#N ZINC000352423838 134144737 /nfs/dbraw/zinc/14/47/37/134144737.db2.gz ZJMZSFYAFFZUJJ-ZJUUUORDSA-N 1 0 247.364 0.548 20 30 BCEDRO CC1(C#N)CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000336360870 134144947 /nfs/dbraw/zinc/14/49/47/134144947.db2.gz JRUJULWNSAVWAM-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@]1(C)CCCO ZINC000352892078 134157866 /nfs/dbraw/zinc/15/78/66/134157866.db2.gz HKMAJAJZBACAPY-ZDUSSCGKSA-N 1 0 240.347 0.916 20 30 BCEDRO C=CCC[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000353056148 134159437 /nfs/dbraw/zinc/15/94/37/134159437.db2.gz IXKPJCRQUSWPOD-LLVKDONJSA-N 1 0 227.304 0.808 20 30 BCEDRO COC(=O)[C@@H](O)C1CC[NH+](CCCC#N)CC1 ZINC000305182971 134160183 /nfs/dbraw/zinc/16/01/83/134160183.db2.gz BUVVHGAKODOPPI-NSHDSACASA-N 1 0 240.303 0.536 20 30 BCEDRO N#CCCC[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000355108904 134171895 /nfs/dbraw/zinc/17/18/95/134171895.db2.gz TXEOSDPQAILUFB-NSHDSACASA-N 1 0 236.319 0.826 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H](C)[NH+]1[C@H](C)CC[C@H]1C ZINC000356826546 134179550 /nfs/dbraw/zinc/17/95/50/134179550.db2.gz BRDVMEGGEWHQAR-WISYIIOYSA-N 1 0 240.347 0.911 20 30 BCEDRO C=CCOCC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000357257109 134182543 /nfs/dbraw/zinc/18/25/43/134182543.db2.gz LTTQAJZHPRRFNZ-GFCCVEGCSA-N 1 0 242.319 0.074 20 30 BCEDRO C=CCOCC(=O)N1CCCC[C@@H]1CC[NH3+] ZINC000357374006 134182981 /nfs/dbraw/zinc/18/29/81/134182981.db2.gz LUKIIVFALSEOFT-LLVKDONJSA-N 1 0 226.320 0.919 20 30 BCEDRO C[C@H](C#N)C(=O)NCCCC[NH+]1CCOCC1 ZINC000357819585 134185474 /nfs/dbraw/zinc/18/54/74/134185474.db2.gz DSXKFZHRTFGVDL-LLVKDONJSA-N 1 0 239.319 0.375 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCC[N@@H+](CC)CC1 ZINC000360963769 134202958 /nfs/dbraw/zinc/20/29/58/134202958.db2.gz ZUGZALKZDCUVNV-GFCCVEGCSA-N 1 0 239.363 0.705 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@@H](OC)C1 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ZINC000362778125 134214249 /nfs/dbraw/zinc/21/42/49/134214249.db2.gz QHTYPYTYMOFAOE-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO C[C@H](C#N)NC(=O)[C@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000363170383 134215309 /nfs/dbraw/zinc/21/53/09/134215309.db2.gz HHKFGVRGSHVVHH-OUAUKWLOSA-N 1 0 221.304 0.889 20 30 BCEDRO C#CC[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000363307897 134215462 /nfs/dbraw/zinc/21/54/62/134215462.db2.gz WXKPJMUAPYKKAI-LLVKDONJSA-N 1 0 203.289 0.918 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CCOCC[C@H]2C)C1=O ZINC000369195687 134221822 /nfs/dbraw/zinc/22/18/22/134221822.db2.gz VVNPUZGUUOFBNU-NEPJUHHUSA-N 1 0 238.331 0.884 20 30 BCEDRO C=C(C)C[NH+]1CCN(c2ccc(=O)[nH]n2)CC1 ZINC000369144711 134221880 /nfs/dbraw/zinc/22/18/80/134221880.db2.gz QSWGQUTXZGJPBM-UHFFFAOYSA-N 1 0 234.303 0.880 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](OC)CC1 ZINC000369581143 134222893 /nfs/dbraw/zinc/22/28/93/134222893.db2.gz YMMRNYMQVGREQZ-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO 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C#CCOCCC(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373066774 134233537 /nfs/dbraw/zinc/23/35/37/134233537.db2.gz VNRSCXQZKRGJNU-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCCNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000373177508 134233843 /nfs/dbraw/zinc/23/38/43/134233843.db2.gz JLURGWCACIXVEG-RYUDHWBXSA-N 1 0 235.331 0.745 20 30 BCEDRO N#CCCCC[N@@H+]1CCN2C(=O)OC[C@H]2C1 ZINC000374562873 134237124 /nfs/dbraw/zinc/23/71/24/134237124.db2.gz XYLNJVSJCORLSF-SNVBAGLBSA-N 1 0 223.276 0.817 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCN(CC)CC1 ZINC000305097363 134239889 /nfs/dbraw/zinc/23/98/89/134239889.db2.gz VLGKJKFFZTZTGR-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CCC[N@H+]1CCC[C@H](S(=O)(=O)N(C)C)C1 ZINC000375660679 134240451 /nfs/dbraw/zinc/24/04/51/134240451.db2.gz POCZPRCLDSCAPG-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO CO/N=C/C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000376395243 134242195 /nfs/dbraw/zinc/24/21/95/134242195.db2.gz JYWKOZAZBWWVGC-PBZAZJIWSA-N 1 0 239.319 0.702 20 30 BCEDRO CC#CCC[N@@H+]1CCN2C(=O)N(C)C[C@H]2C1 ZINC000376471167 134242413 /nfs/dbraw/zinc/24/24/13/134242413.db2.gz ITLLBBRUEZVXRY-NSHDSACASA-N 1 0 221.304 0.451 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC2(CCC2)C1 ZINC000123218147 134243279 /nfs/dbraw/zinc/24/32/79/134243279.db2.gz IQXPWNCZHGFCPK-UHFFFAOYSA-N 1 0 207.277 0.502 20 30 BCEDRO CNC(N[C@@H]1[C@H](C)[C@H](OC)C12CCC2)=[NH+]C ZINC000377139354 134243783 /nfs/dbraw/zinc/24/37/83/134243783.db2.gz IJSUJFJFTLWOMS-AEJSXWLSSA-N 1 0 225.336 0.985 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000377728670 134244892 /nfs/dbraw/zinc/24/48/92/134244892.db2.gz XZJSUWFMYWEDTK-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H](CO)C1 ZINC000377957737 134245242 /nfs/dbraw/zinc/24/52/42/134245242.db2.gz SMLHCNMUFNGBAJ-NSHDSACASA-N 1 0 226.320 0.383 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)N[C@@H](C)C[NH+](C)C ZINC000168790453 134247957 /nfs/dbraw/zinc/24/79/57/134247957.db2.gz FHXHVIZSWKAQAN-ONGXEEELSA-N 1 0 211.309 0.993 20 30 BCEDRO CNC(=O)CNC(=[NH2+])Nc1cccc(OC)c1 ZINC000170907005 134254855 /nfs/dbraw/zinc/25/48/55/134254855.db2.gz JKNAXLYKPVQLHW-UHFFFAOYSA-N 1 0 236.275 0.168 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC000175515605 134287469 /nfs/dbraw/zinc/28/74/69/134287469.db2.gz WEGKLNGWYDHFPJ-UHFFFAOYSA-N 1 0 234.303 0.956 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@H]1COC2(CCCCC2)O1 ZINC000179562698 134321635 /nfs/dbraw/zinc/32/16/35/134321635.db2.gz XIXVLIKYSAWKRF-SNVBAGLBSA-N 1 0 241.335 0.939 20 30 BCEDRO C=C(C)C[N@@H+](C)[C@H](C)C(=O)NCC(=O)OC ZINC000181261137 134334689 /nfs/dbraw/zinc/33/46/89/134334689.db2.gz GMGGUJLUQKXHJI-SECBINFHSA-N 1 0 228.292 0.172 20 30 BCEDRO C[C@H](C#N)N1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000181872359 134339988 /nfs/dbraw/zinc/33/99/88/134339988.db2.gz FZWIDDGGNRZOTO-CHWSQXEVSA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N(C)CC[C@@H]([NH3+])C(C)C ZINC000226430456 134365867 /nfs/dbraw/zinc/36/58/67/134365867.db2.gz MIVGDSLTJXYQQU-VXGBXAGGSA-N 1 0 241.379 0.982 20 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0.140 20 30 BCEDRO C=CCOCC(=O)NCC[NH2+]C(C)(C)C ZINC000336759703 134938668 /nfs/dbraw/zinc/93/86/68/134938668.db2.gz LMWNGFOAHNPQOC-UHFFFAOYSA-N 1 0 214.309 0.693 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](CCO)CCCC)C1=O ZINC000337141850 135001640 /nfs/dbraw/zinc/00/16/40/135001640.db2.gz SSEHCVVYNKGLHI-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H](CC)[C@H](O)C2)C1=O ZINC000337174955 135002557 /nfs/dbraw/zinc/00/25/57/135002557.db2.gz HMUVKFROEGJQMQ-GRYCIOLGSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)C2CC(O)C2)C1=O ZINC000337201865 135004993 /nfs/dbraw/zinc/00/49/93/135004993.db2.gz GJJBOZNJDDMNHW-ILDUYXDCSA-N 1 0 224.304 0.228 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC[C@@H](O)[C@H](C)C2)C1=O ZINC000337204050 135005830 /nfs/dbraw/zinc/00/58/30/135005830.db2.gz IKAWOZIHKQUUTG-GRYCIOLGSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H]2CCOC[C@H]2C)C1=O ZINC000337207849 135007096 /nfs/dbraw/zinc/00/70/96/135007096.db2.gz PKFBCHPNJDQDCK-WOPDTQHZSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCOCCC[N@@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000337246943 135008430 /nfs/dbraw/zinc/00/84/30/135008430.db2.gz JQISYWDIOKHPPT-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)CC2(C)COC2)C1=O ZINC000337235686 135009628 /nfs/dbraw/zinc/00/96/28/135009628.db2.gz XRNLBAIJPLHPAX-NSHDSACASA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCNC(=O)CN1CC[NH+]([C@H](C)CC)CC1 ZINC000337308355 135011484 /nfs/dbraw/zinc/01/14/84/135011484.db2.gz XRAOVRJTFPLMFD-GFCCVEGCSA-N 1 0 239.363 0.705 20 30 BCEDRO C[C@@H]1CC[C@@H](C)[N@H+](CC(=O)NCC#N)C1 ZINC000076150238 135014893 /nfs/dbraw/zinc/01/48/93/135014893.db2.gz ZLHFVYXVINNZLU-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCCC12CCC2 ZINC000335520375 135022144 /nfs/dbraw/zinc/02/21/44/135022144.db2.gz UJAIMIUHHDJTCT-UHFFFAOYSA-N 1 0 207.277 0.645 20 30 BCEDRO N#CCN(CC#N)C(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000365824480 135024838 /nfs/dbraw/zinc/02/48/38/135024838.db2.gz WLUTVZABSJSWLK-RYUDHWBXSA-N 1 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30 BCEDRO N#CCCOCC[N@H+]1CCC[C@@H](OCCO)C1 ZINC000339003003 135051799 /nfs/dbraw/zinc/05/17/99/135051799.db2.gz SMJBISYEBAXDBV-GFCCVEGCSA-N 1 0 242.319 0.390 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000339043438 135053993 /nfs/dbraw/zinc/05/39/93/135053993.db2.gz OCRHXISNMKQPBW-JTQLQIEISA-N 1 0 244.360 0.719 20 30 BCEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CCOCCC#N ZINC000339064454 135055599 /nfs/dbraw/zinc/05/55/99/135055599.db2.gz GGZKEWZNTSHVNU-VXGBXAGGSA-N 1 0 225.336 0.941 20 30 BCEDRO C=CCOCCN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000339090065 135058368 /nfs/dbraw/zinc/05/83/68/135058368.db2.gz BAJFAKAWVHFAHQ-QWHCGFSZSA-N 1 0 242.363 0.576 20 30 BCEDRO C=CCOCCN1CC[NH+](C[C@@H](C)O)CC1 ZINC000339094430 135058574 /nfs/dbraw/zinc/05/85/74/135058574.db2.gz TVXSRMPKAHLODM-GFCCVEGCSA-N 1 0 228.336 0.187 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000339100385 135059175 /nfs/dbraw/zinc/05/91/75/135059175.db2.gz YHSPJABJYYXTMB-WDEREUQCSA-N 1 0 226.320 0.775 20 30 BCEDRO C[C@H]1CC[N@H+](CCOCCC#N)[C@@H](C(N)=O)C1 ZINC000339100197 135059720 /nfs/dbraw/zinc/05/97/20/135059720.db2.gz VUTZMDRJODHMHR-WDEREUQCSA-N 1 0 239.319 0.502 20 30 BCEDRO COC(=O)[C@]1(C)CCCN1CCOCCC#N ZINC000339099043 135059772 /nfs/dbraw/zinc/05/97/72/135059772.db2.gz JCQQLSORKXWHBG-LBPRGKRZSA-N 1 0 240.303 0.944 20 30 BCEDRO N#CCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000250830848 135059928 /nfs/dbraw/zinc/05/99/28/135059928.db2.gz JAFDWYDAEMTNSJ-VHSXEESVSA-N 1 0 207.277 0.643 20 30 BCEDRO N#CCCOCC[N@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000339135370 135060748 /nfs/dbraw/zinc/06/07/48/135060748.db2.gz MADOWJJDNJZGJX-LBPRGKRZSA-N 1 0 237.303 0.129 20 30 BCEDRO COC(=O)[C@@H]1CC[N@H+](CCOCCC#N)[C@@H]1C ZINC000339118391 135061563 /nfs/dbraw/zinc/06/15/63/135061563.db2.gz KOBHTSSYEUXDKY-GHMZBOCLSA-N 1 0 240.303 0.800 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@](F)(CO)C1 ZINC000339172901 135063600 /nfs/dbraw/zinc/06/36/00/135063600.db2.gz BWBKFQBOMNHWTK-SNVBAGLBSA-N 1 0 203.257 0.595 20 30 BCEDRO C[C@H]([NH2+][C@H]1COC[C@H]1O)c1ccc(C#N)cc1 ZINC000251229908 135067176 /nfs/dbraw/zinc/06/71/76/135067176.db2.gz ATEUFVREVMFDQD-TVYUQYBPSA-N 1 0 232.283 0.969 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000339407063 135072210 /nfs/dbraw/zinc/07/22/10/135072210.db2.gz KOEKAZWHYLMOIS-LLVKDONJSA-N 1 0 222.292 0.593 20 30 BCEDRO C[C@@H]1C[N@@H+]2CCCC[C@H]2CN1C(=O)CC#N ZINC000251679917 135073618 /nfs/dbraw/zinc/07/36/18/135073618.db2.gz HTOZGFXAKSYGCG-MNOVXSKESA-N 1 0 221.304 0.985 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000339617536 135076861 /nfs/dbraw/zinc/07/68/61/135076861.db2.gz VRKCYXMYKSQUTB-TUAOUCFPSA-N 1 0 239.363 0.702 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)CCCCC#N ZINC000308519555 135078445 /nfs/dbraw/zinc/07/84/45/135078445.db2.gz WZPXWPYODNPRFA-SNVBAGLBSA-N 1 0 200.282 0.355 20 30 BCEDRO C[C@H](O)CC[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000332066177 135079212 /nfs/dbraw/zinc/07/92/12/135079212.db2.gz RXWFRMPBKRXLCU-JTQLQIEISA-N 1 0 239.319 0.252 20 30 BCEDRO CC#CC[N@H+](C)CCCS(=O)(=O)N(C)C ZINC000339751302 135080156 /nfs/dbraw/zinc/08/01/56/135080156.db2.gz RJNXLUYQGZNJEX-UHFFFAOYSA-N 1 0 232.349 0.223 20 30 BCEDRO C=C(C)CN1CC[NH+]([C@@H]2CCOC2)CC1 ZINC000366540288 135088592 /nfs/dbraw/zinc/08/85/92/135088592.db2.gz WJLNTOPRCJPHBM-GFCCVEGCSA-N 1 0 210.321 0.969 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000339934171 135089617 /nfs/dbraw/zinc/08/96/17/135089617.db2.gz QDSJBCCLSKDZEF-MNOVXSKESA-N 1 0 238.335 0.882 20 30 BCEDRO C=CCNC(=O)CN1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000366560764 135093346 /nfs/dbraw/zinc/09/33/46/135093346.db2.gz RIRWLLSTTZDLNG-ZDUSSCGKSA-N 1 0 237.347 0.316 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H](O)c2ccccc2)N1 ZINC000261589659 135109543 /nfs/dbraw/zinc/10/95/43/135109543.db2.gz UAPQFVNGPWSKDZ-GXSJLCMTSA-N 1 0 219.288 0.657 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2ccc(C#N)cc2)N1 ZINC000261590320 135110186 /nfs/dbraw/zinc/11/01/86/135110186.db2.gz UMPKQDMYFWXLED-VIFPVBQESA-N 1 0 214.272 0.996 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H]1CC=CCC1 ZINC000261691607 135111435 /nfs/dbraw/zinc/11/14/35/135111435.db2.gz BGYVCQXADLJSDK-JTQLQIEISA-N 1 0 211.309 0.893 20 30 BCEDRO CO[C@@H](C)C[N@@H+]1CCCC[C@H]1C(N)=NO ZINC000252830720 135112111 /nfs/dbraw/zinc/11/21/11/135112111.db2.gz XVPLKQYHJFIBBZ-IUCAKERBSA-N 1 0 215.297 0.622 20 30 BCEDRO Cc1cc(CNC(=[NH2+])N(C)C2CC2)n(C)n1 ZINC000261866190 135112112 /nfs/dbraw/zinc/11/21/12/135112112.db2.gz NVZBUFQJUVOBCS-UHFFFAOYSA-N 1 0 221.308 0.637 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](c1ccco1)N(C)C ZINC000261886254 135112230 /nfs/dbraw/zinc/11/22/30/135112230.db2.gz RZQCNQSUXUAYSN-QMMMGPOBSA-N 1 0 210.281 0.416 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1nnc2n1CCCC2 ZINC000261966577 135112933 /nfs/dbraw/zinc/11/29/33/135112933.db2.gz BKHDXTBFGWARQX-UHFFFAOYSA-N 1 0 248.334 0.595 20 30 BCEDRO CN(C)C(=[NH2+])NCc1nc2ccccc2n1C ZINC000262188142 135116479 /nfs/dbraw/zinc/11/64/79/135116479.db2.gz CADSJXJXSGMHOE-UHFFFAOYSA-N 1 0 231.303 0.950 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@H]1CCC(C)(C)O1 ZINC000262201031 135116996 /nfs/dbraw/zinc/11/69/96/135116996.db2.gz AVTCLBDMYBENMC-VIFPVBQESA-N 1 0 211.309 0.835 20 30 BCEDRO C=CCNC(NC[C@H]1CCC[C@H]1O)=[NH+]C ZINC000262375172 135117968 /nfs/dbraw/zinc/11/79/68/135117968.db2.gz JHXWOESDFPBANS-NXEZZACHSA-N 1 0 211.309 0.498 20 30 BCEDRO C[NH+]=C(NCc1noc(C)n1)NC(C)C ZINC000262438091 135118620 /nfs/dbraw/zinc/11/86/20/135118620.db2.gz UFUSNADKZQHXKS-UHFFFAOYSA-N 1 0 211.269 0.451 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2cccc(C(N)=O)c2)N1 ZINC000262475824 135118753 /nfs/dbraw/zinc/11/87/53/135118753.db2.gz BWSZALRPQAKKPN-VIFPVBQESA-N 1 0 246.314 0.265 20 30 BCEDRO COc1cccc([C@@H](O)CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262420312 135118774 /nfs/dbraw/zinc/11/87/74/135118774.db2.gz BCVCRVXWPNBEKP-CABZTGNLSA-N 1 0 249.314 0.666 20 30 BCEDRO CN(C)C(=[NH+]CCOCC1CC1)N(C)C ZINC000262513174 135118946 /nfs/dbraw/zinc/11/89/46/135118946.db2.gz DYGBZZHKIGVROQ-UHFFFAOYSA-N 1 0 213.325 0.892 20 30 BCEDRO C[NH+]=C(NCc1noc(C)n1)N[C@@H]1C[C@H]1C ZINC000262439408 135119050 /nfs/dbraw/zinc/11/90/50/135119050.db2.gz COKWHNPQDMTSRO-HTRCEHHLSA-N 1 0 223.280 0.451 20 30 BCEDRO C=CCNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262528918 135119695 /nfs/dbraw/zinc/11/96/95/135119695.db2.gz MLMWDLBSZNZTAD-OPRDCNLKSA-N 1 0 223.320 0.890 20 30 BCEDRO C=CCNC(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000262528916 135119733 /nfs/dbraw/zinc/11/97/33/135119733.db2.gz MLMWDLBSZNZTAD-BBBLOLIVSA-N 1 0 223.320 0.890 20 30 BCEDRO COc1ccc([C@@H](O)CNC2=[NH+]C[C@H](C)N2)cc1 ZINC000262635759 135119760 /nfs/dbraw/zinc/11/97/60/135119760.db2.gz GUXVYGNRTIYYAC-CABZTGNLSA-N 1 0 249.314 0.666 20 30 BCEDRO C=C(Cl)CNC(=[NH2+])N1CCOCC1 ZINC000262549095 135119837 /nfs/dbraw/zinc/11/98/37/135119837.db2.gz WYUUHUVYFMGEPV-UHFFFAOYSA-N 1 0 203.673 0.386 20 30 BCEDRO CN1CC[NH+]=C1NCCOc1ncccc1F ZINC000262650621 135120132 /nfs/dbraw/zinc/12/01/32/135120132.db2.gz KIPDMWFAGYPGNS-UHFFFAOYSA-N 1 0 238.266 0.491 20 30 BCEDRO C[NH+]=C(NCc1noc(C)n1)NC1CC1 ZINC000262638810 135120158 /nfs/dbraw/zinc/12/01/58/135120158.db2.gz GVUMESMZUHVSIR-UHFFFAOYSA-N 1 0 209.253 0.205 20 30 BCEDRO COc1ccc(CNC2=[NH+]CCN2C)nc1 ZINC000262658212 135120165 /nfs/dbraw/zinc/12/01/65/135120165.db2.gz MEHHGOFTHWEWDR-UHFFFAOYSA-N 1 0 220.276 0.481 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2cccc(N(C)C)n2)N1 ZINC000262659826 135120400 /nfs/dbraw/zinc/12/04/00/135120400.db2.gz MRNWSGWIVUKNLX-VIFPVBQESA-N 1 0 233.319 0.585 20 30 BCEDRO CN1CC[NH+]=C1NCc1nnc2n1CCCCC2 ZINC000262645441 135120476 /nfs/dbraw/zinc/12/04/76/135120476.db2.gz IZAZIMVJJLSWJK-UHFFFAOYSA-N 1 0 248.334 0.396 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@](C)(O)c2ccco2)N1 ZINC000262664330 135120504 /nfs/dbraw/zinc/12/05/04/135120504.db2.gz NYOPGSMAGBASCC-GZMMTYOYSA-N 1 0 223.276 0.424 20 30 BCEDRO Cc1cccc(CCNC2=[NH+]C[C@H](C)N2)n1 ZINC000262644676 135120512 /nfs/dbraw/zinc/12/05/12/135120512.db2.gz ITYUCWULHWOTLG-JTQLQIEISA-N 1 0 218.304 0.870 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@](C)(O)c1ccco1 ZINC000262670951 135120539 /nfs/dbraw/zinc/12/05/39/135120539.db2.gz QWPRMOBJRBLDSW-LLVKDONJSA-N 1 0 223.276 0.378 20 30 BCEDRO COc1ccccc1[C@H](O)CNC1=[NH+]C[C@H](C)N1 ZINC000262669671 135120590 /nfs/dbraw/zinc/12/05/90/135120590.db2.gz QKOKBHCSJKUHJK-GXSJLCMTSA-N 1 0 249.314 0.666 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@](C)(O)c2cccs2)N1 ZINC000262681242 135121107 /nfs/dbraw/zinc/12/11/07/135121107.db2.gz WFDTUROIBFIBEC-KWQFWETISA-N 1 0 239.344 0.893 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2cn3ccccc3n2)N1 ZINC000262671387 135121159 /nfs/dbraw/zinc/12/11/59/135121159.db2.gz RFICYYCGPUILTM-SNVBAGLBSA-N 1 0 243.314 0.814 20 30 BCEDRO C=CCNC(NCc1ccn(C)c1)=[NH+]C ZINC000262847400 135122619 /nfs/dbraw/zinc/12/26/19/135122619.db2.gz WBNBGMSDZXZYPY-UHFFFAOYSA-N 1 0 206.293 0.876 20 30 BCEDRO C[NH+]=C(NCc1ccnn1C)N[C@H]1CC1(C)C ZINC000262854954 135122929 /nfs/dbraw/zinc/12/29/29/135122929.db2.gz XYFMAGBCXXQHJR-JTQLQIEISA-N 1 0 235.335 0.884 20 30 BCEDRO CNC(=[NH2+])N[C@H]1CCN(c2ccccc2)C1 ZINC000263185005 135125167 /nfs/dbraw/zinc/12/51/67/135125167.db2.gz WRFKNOXKSHUUEM-JTQLQIEISA-N 1 0 218.304 0.799 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1CCN(c2ccccc2)C1 ZINC000263185009 135125271 /nfs/dbraw/zinc/12/52/71/135125271.db2.gz WRFKNOXKSHUUEM-SNVBAGLBSA-N 1 0 218.304 0.799 20 30 BCEDRO C=CCNC(NCc1c[nH]nc1C)=[NH+]CC ZINC000263247425 135125864 /nfs/dbraw/zinc/12/58/64/135125864.db2.gz NNESSONVXXMMNR-UHFFFAOYSA-N 1 0 221.308 0.959 20 30 BCEDRO C[NH+]=C(NCc1nnc2n1CCC2)N[C@H]1C[C@H]1C ZINC000263276427 135126270 /nfs/dbraw/zinc/12/62/70/135126270.db2.gz YNEUEKDGEMQYQA-BDAKNGLRSA-N 1 0 248.334 0.298 20 30 BCEDRO C=CCNC(=[NH2+])NCCCOC[C@@H]1CCCO1 ZINC000264073905 135131639 /nfs/dbraw/zinc/13/16/39/135131639.db2.gz GRYHQFXBCRYONL-NSHDSACASA-N 1 0 241.335 0.662 20 30 BCEDRO COCCNC(=[NH2+])NCc1cccc(F)c1 ZINC000264083291 135131756 /nfs/dbraw/zinc/13/17/56/135131756.db2.gz JBCQCVIUINWCDL-UHFFFAOYSA-N 1 0 225.267 0.876 20 30 BCEDRO CNC(NC[C@H](O)c1ccc(C)cc1)=[NH+]C ZINC000264081564 135131852 /nfs/dbraw/zinc/13/18/52/135131852.db2.gz HOYBKYUUAQYROA-NSHDSACASA-N 1 0 221.304 0.823 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(N(C)C)nc1 ZINC000264074555 135131914 /nfs/dbraw/zinc/13/19/14/135131914.db2.gz FGKIAYWKIIWICG-UHFFFAOYSA-N 1 0 207.281 0.182 20 30 BCEDRO CCCCCCNC(=[NH2+])NCCn1cncn1 ZINC000264076612 135132065 /nfs/dbraw/zinc/13/20/65/135132065.db2.gz HQCUDVGTAFYIQU-UHFFFAOYSA-N 1 0 238.339 0.763 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccc(C#N)cc1 ZINC000264091682 135132383 /nfs/dbraw/zinc/13/23/83/135132383.db2.gz LDBASKLWOHJLFK-UHFFFAOYSA-N 1 0 232.287 0.609 20 30 BCEDRO CCN(Cc1ccccc1)C(=O)CNC(N)=[NH2+] ZINC000264093550 135132424 /nfs/dbraw/zinc/13/24/24/135132424.db2.gz LUGHTLNZBVNCMX-UHFFFAOYSA-N 1 0 234.303 0.309 20 30 BCEDRO CCCNC(=O)c1cccc(CNC(N)=[NH2+])c1 ZINC000264100047 135133156 /nfs/dbraw/zinc/13/31/56/135133156.db2.gz NUXVPMWJNGOPAJ-UHFFFAOYSA-N 1 0 234.303 0.600 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCn1ccnc1 ZINC000264107224 135133215 /nfs/dbraw/zinc/13/32/15/135133215.db2.gz NZKQXWLZZNTZOF-UHFFFAOYSA-N 1 0 221.308 0.754 20 30 BCEDRO [NH2+]=C(NCc1ccccc1F)N1CCOCC1 ZINC000264100476 135133333 /nfs/dbraw/zinc/13/33/33/135133333.db2.gz MUOMPYGZOOPXDO-UHFFFAOYSA-N 1 0 237.278 0.973 20 30 BCEDRO C=CCNC(=[NH2+])NCCCn1nc(C)cc1C ZINC000264113989 135133639 /nfs/dbraw/zinc/13/36/39/135133639.db2.gz PNCCOSPERQVIJA-UHFFFAOYSA-N 1 0 235.335 0.980 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)c1ccc(OC)cc1 ZINC000264115641 135133945 /nfs/dbraw/zinc/13/39/45/135133945.db2.gz SOKIUAFAVXCLTP-JTQLQIEISA-N 1 0 223.276 0.263 20 30 BCEDRO C=CCSCCNC(=[NH2+])N[C@@H](C)COC ZINC000264125201 135134438 /nfs/dbraw/zinc/13/44/38/135134438.db2.gz WFSJNIMGWLCLSB-VIFPVBQESA-N 1 0 231.365 0.845 20 30 BCEDRO Cc1ccc(CNC(=[NH2+])N2CCOCC2)cn1 ZINC000264125181 135134570 /nfs/dbraw/zinc/13/45/70/135134570.db2.gz WDXZXPAOBKBDLO-UHFFFAOYSA-N 1 0 234.303 0.537 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCc1cccnc1 ZINC000264137396 135135209 /nfs/dbraw/zinc/13/52/09/135135209.db2.gz VLVUSAFFGAAAIZ-SNVBAGLBSA-N 1 0 236.319 0.563 20 30 BCEDRO COCCNC(=[NH2+])NCCc1ccc(O)cc1 ZINC000264147134 135135896 /nfs/dbraw/zinc/13/58/96/135135896.db2.gz YBAUYQOWJOXJJG-UHFFFAOYSA-N 1 0 237.303 0.485 20 30 BCEDRO Cn1cc(CCCNC(=[NH2+])NC2CC2)cn1 ZINC000264269593 135137091 /nfs/dbraw/zinc/13/70/91/135137091.db2.gz LHPMDWZTLJCMHY-UHFFFAOYSA-N 1 0 221.308 0.419 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCNC(=O)C(C)(C)C ZINC000264251174 135137504 /nfs/dbraw/zinc/13/75/04/135137504.db2.gz HBGWBVUBYLTVHH-UHFFFAOYSA-N 1 0 240.351 0.629 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N2CCSC[C@@H]2C#N)C1 ZINC000259950833 135146139 /nfs/dbraw/zinc/14/61/39/135146139.db2.gz RVTUTHODVRFASF-ZJUUUORDSA-N 1 0 239.344 0.406 20 30 BCEDRO CC[C@H](C#N)NC(=O)C1CC[NH+](C)CC1 ZINC000260331685 135148145 /nfs/dbraw/zinc/14/81/45/135148145.db2.gz ZYHRFNFFLPOELV-SNVBAGLBSA-N 1 0 209.293 0.747 20 30 BCEDRO CCNC(=[NH2+])NCCCCn1ccnc1C ZINC000267385052 135153230 /nfs/dbraw/zinc/15/32/30/135153230.db2.gz BHAXWCLGXVLMLG-UHFFFAOYSA-N 1 0 223.324 0.896 20 30 BCEDRO C[C@@](O)(CNC(N)=[NH2+])c1ccc(F)cc1F ZINC000267466834 135154656 /nfs/dbraw/zinc/15/46/56/135154656.db2.gz WQTQLRIYOVESPA-SNVBAGLBSA-N 1 0 229.230 0.446 20 30 BCEDRO C=C(Cl)CNC(=[NH2+])N[C@@H](C)COC ZINC000267445370 135154865 /nfs/dbraw/zinc/15/48/65/135154865.db2.gz PYFAIICAUARCMQ-ZETCQYMHSA-N 1 0 205.689 0.678 20 30 BCEDRO COCCC(C)(C)CNC1=[NH+]C[C@H](C)N1 ZINC000261529637 135155625 /nfs/dbraw/zinc/15/56/25/135155625.db2.gz BEZYUKBJHLOEGM-VIFPVBQESA-N 1 0 213.325 0.986 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCOC2CCCC2)N1 ZINC000261531105 135158757 /nfs/dbraw/zinc/15/87/57/135158757.db2.gz FFDRPWDSMKLDPL-SECBINFHSA-N 1 0 211.309 0.883 20 30 BCEDRO C[C@@H](O)C[C@@H](CNC(N)=[NH2+])c1ccccc1 ZINC000268473827 135158877 /nfs/dbraw/zinc/15/88/77/135158877.db2.gz XHPBKFFLYOEPFL-KOLCDFICSA-N 1 0 221.304 0.815 20 30 BCEDRO CNC(NCCOc1ncccc1Cl)=[NH+]C ZINC000268442220 135159285 /nfs/dbraw/zinc/15/92/85/135159285.db2.gz MKPUWVWUKPZXCR-UHFFFAOYSA-N 1 0 242.710 0.909 20 30 BCEDRO C[C@@H](O)C[C@H](CNC(N)=[NH2+])c1ccccc1 ZINC000268473829 135159421 /nfs/dbraw/zinc/15/94/21/135159421.db2.gz XHPBKFFLYOEPFL-MWLCHTKSSA-N 1 0 221.304 0.815 20 30 BCEDRO Cc1nc(CCNC2=[NH+]C[C@H](C)N2)cs1 ZINC000261531251 135159933 /nfs/dbraw/zinc/15/99/33/135159933.db2.gz FWAWHFWKMJKMPJ-ZETCQYMHSA-N 1 0 224.333 0.931 20 30 BCEDRO C[NH2+]CCN(C)c1ccc(C#N)c(C)n1 ZINC000261531625 135160513 /nfs/dbraw/zinc/16/05/13/135160513.db2.gz HIFUQYTWPPFDKS-UHFFFAOYSA-N 1 0 204.277 0.917 20 30 BCEDRO CCCNC(=[NH2+])NCCOc1ncccc1F ZINC000269486315 135165299 /nfs/dbraw/zinc/16/52/99/135165299.db2.gz QROIXGREVYFOJW-UHFFFAOYSA-N 1 0 240.282 0.914 20 30 BCEDRO COCCNC(=[NH2+])NCCc1ccncc1C ZINC000269998877 135169255 /nfs/dbraw/zinc/16/92/55/135169255.db2.gz XMBMBAWUMDFFIH-UHFFFAOYSA-N 1 0 236.319 0.483 20 30 BCEDRO C=CCCS(=O)(=O)NC1CC[NH2+]CC1 ZINC000261538393 135176130 /nfs/dbraw/zinc/17/61/30/135176130.db2.gz XXZVTXRWHMIBRJ-UHFFFAOYSA-N 1 0 218.322 0.234 20 30 BCEDRO CN1CC[NH+]=C1NCc1ccc(O)cc1 ZINC000261538792 135176810 /nfs/dbraw/zinc/17/68/10/135176810.db2.gz ZINKBKCAZVHZCZ-UHFFFAOYSA-N 1 0 205.261 0.783 20 30 BCEDRO C=CCOCc1nc(C[C@@H](C)[NH2+]C)no1 ZINC000261543433 135184104 /nfs/dbraw/zinc/18/41/04/135184104.db2.gz HTNONIBWWLIQLF-MRVPVSSYSA-N 1 0 211.265 0.923 20 30 BCEDRO CN1CC[NH+]=C1NC[C@H]1Cc2ccccc2O1 ZINC000261543643 135184431 /nfs/dbraw/zinc/18/44/31/135184431.db2.gz DDCCQJMDSANGIS-LLVKDONJSA-N 1 0 231.299 0.881 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCC1C[NH2+]C1 ZINC000261551368 135190488 /nfs/dbraw/zinc/19/04/88/135190488.db2.gz QLDQKFVFNSPXMX-SECBINFHSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000261559415 135200351 /nfs/dbraw/zinc/20/03/51/135200351.db2.gz ZBNRFJLEUMTCQZ-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000261561156 135202185 /nfs/dbraw/zinc/20/21/85/135202185.db2.gz AKCOACADWNFDHT-PWSUYJOCSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@@H](C[NH3+])C1 ZINC000261563815 135204995 /nfs/dbraw/zinc/20/49/95/135204995.db2.gz CAOOKBFRSPVVOX-JTQLQIEISA-N 1 0 232.349 0.563 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H]2Cc3ccccc3O2)N1 ZINC000261567615 135209197 /nfs/dbraw/zinc/20/91/97/135209197.db2.gz ZXMNCGLNMPWGPY-ONGXEEELSA-N 1 0 231.299 0.927 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2Cc3ccccc3O2)N1 ZINC000261567613 135209531 /nfs/dbraw/zinc/20/95/31/135209531.db2.gz ZXMNCGLNMPWGPY-KOLCDFICSA-N 1 0 231.299 0.927 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H](C[NH3+])C[C@@H]1C ZINC000261568087 135209968 /nfs/dbraw/zinc/20/99/68/135209968.db2.gz FHQBADLADLBYHT-VHSXEESVSA-N 1 0 232.349 0.561 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261568086 135210025 /nfs/dbraw/zinc/21/00/25/135210025.db2.gz FHQBADLADLBYHT-UWVGGRQHSA-N 1 0 232.349 0.561 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000261568138 135210770 /nfs/dbraw/zinc/21/07/70/135210770.db2.gz FJKIFGFBQHYLMK-VHSXEESVSA-N 1 0 212.293 0.575 20 30 BCEDRO C=CC[N@@H+](C)[C@@H](C)C(=O)NC(=O)NC1CC1 ZINC000121329244 135222010 /nfs/dbraw/zinc/22/20/10/135222010.db2.gz DRSHTFUVEMTCDH-QMMMGPOBSA-N 1 0 225.292 0.481 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H]1C[NH2+]CCO1 ZINC000043712817 135225580 /nfs/dbraw/zinc/22/55/80/135225580.db2.gz LPCQTTXLJLDJGO-SNVBAGLBSA-N 1 0 210.277 0.175 20 30 BCEDRO Cc1nn(C)c(C)c1CCCNC1=[NH+]CCCN1 ZINC000340748984 135228784 /nfs/dbraw/zinc/22/87/84/135228784.db2.gz ZIGGLZQUOCVVAA-UHFFFAOYSA-N 1 0 249.362 0.908 20 30 BCEDRO C=CCOCC(=O)NC[C@H](C)C[NH+](C)C ZINC000341256800 135235254 /nfs/dbraw/zinc/23/52/54/135235254.db2.gz HQUJELRQJGNTLR-JTQLQIEISA-N 1 0 214.309 0.503 20 30 BCEDRO CCN(CC)C(=O)CCCNC1=[NH+]CCCN1 ZINC000341638555 135241094 /nfs/dbraw/zinc/24/10/94/135241094.db2.gz RUIVYQZJZYSODC-UHFFFAOYSA-N 1 0 240.351 0.574 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](CC)C[C@@H]1C ZINC000341796653 135242714 /nfs/dbraw/zinc/24/27/14/135242714.db2.gz INMPPKVFNYQXHR-WCQYABFASA-N 1 0 240.347 0.866 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000341788276 135243084 /nfs/dbraw/zinc/24/30/84/135243084.db2.gz JZYQJIHLHLBKDY-GMTAPVOTSA-N 1 0 223.320 0.802 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000341788277 135243280 /nfs/dbraw/zinc/24/32/80/135243280.db2.gz JZYQJIHLHLBKDY-MXWKQRLJSA-N 1 0 223.320 0.802 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCCC2(O)CCC2)CCO1 ZINC000261713023 135247549 /nfs/dbraw/zinc/24/75/49/135247549.db2.gz DYFYTPBOYQGQOZ-SNVBAGLBSA-N 1 0 241.335 0.327 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCCCO1 ZINC000261711267 135247820 /nfs/dbraw/zinc/24/78/20/135247820.db2.gz DTCRCEMNAKTTTK-QWRGUYRKSA-N 1 0 241.335 0.639 20 30 BCEDRO CNC(=[NH2+])N1CCC(OCC2CC2)CC1 ZINC000261736025 135248936 /nfs/dbraw/zinc/24/89/36/135248936.db2.gz JZZCBCCFIYYFOU-UHFFFAOYSA-N 1 0 211.309 0.822 20 30 BCEDRO [NH2+]=C(NCc1ccco1)NC[C@@H]1CCCO1 ZINC000261763789 135250648 /nfs/dbraw/zinc/25/06/48/135250648.db2.gz LTQOAUSAENVBSA-JTQLQIEISA-N 1 0 223.276 0.863 20 30 BCEDRO CNC(NCC(=O)NC1CCCCC1)=[NH+]C ZINC000261767845 135251603 /nfs/dbraw/zinc/25/16/03/135251603.db2.gz MDOJIWRTGRCZJV-UHFFFAOYSA-N 1 0 226.324 0.230 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000342171195 135252161 /nfs/dbraw/zinc/25/21/61/135252161.db2.gz ZWRKOSXMGQCPTA-RYUDHWBXSA-N 1 0 242.363 0.873 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CCC[N@H+](C)[C@H]1C ZINC000342207883 135252844 /nfs/dbraw/zinc/25/28/44/135252844.db2.gz UPBXNABUAVPOLY-VHSXEESVSA-N 1 0 211.309 0.954 20 30 BCEDRO Cc1c(CNC(=[NH2+])NCC2CCC2)cnn1C ZINC000261807668 135254195 /nfs/dbraw/zinc/25/41/95/135254195.db2.gz NCEHCBMGSJTWFF-UHFFFAOYSA-N 1 0 235.335 0.933 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNS(=O)(=O)CCCC#N ZINC000342352058 135260814 /nfs/dbraw/zinc/26/08/14/135260814.db2.gz XUZPKNOWYSXQMV-JTQLQIEISA-N 1 0 245.348 0.304 20 30 BCEDRO [NH2+]=C(NCCc1ccco1)NC[C@@H]1CCCO1 ZINC000261905025 135261399 /nfs/dbraw/zinc/26/13/99/135261399.db2.gz WXVPLJZAWRZYBH-NSHDSACASA-N 1 0 237.303 0.905 20 30 BCEDRO Cc1cc(CNC(=[NH2+])NC[C@@H]2CCCO2)on1 ZINC000261916375 135262834 /nfs/dbraw/zinc/26/28/34/135262834.db2.gz ZLYKGIXSXBWRFA-VIFPVBQESA-N 1 0 238.291 0.566 20 30 BCEDRO C[NH+]=C(NC1CC1)N1CCO[C@H](COC)C1 ZINC000261966882 135266810 /nfs/dbraw/zinc/26/68/10/135266810.db2.gz PXKUEXSJFWIQDA-JTQLQIEISA-N 1 0 227.308 0.071 20 30 BCEDRO Cc1n[nH]cc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261981410 135268576 /nfs/dbraw/zinc/26/85/76/135268576.db2.gz OYFOZSNGJUZHFU-SNVBAGLBSA-N 1 0 237.307 0.301 20 30 BCEDRO COC(=O)[C@@H](C)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000261982206 135268981 /nfs/dbraw/zinc/26/89/81/135268981.db2.gz IMQJLWXHGQRLNG-ZJUUUORDSA-N 1 0 241.335 0.842 20 30 BCEDRO Cn1cc(CCNC(=[NH2+])NCC2CCC2)cn1 ZINC000261983695 135269381 /nfs/dbraw/zinc/26/93/81/135269381.db2.gz JEJDLAAWTJDPRH-UHFFFAOYSA-N 1 0 235.335 0.667 20 30 BCEDRO [NH2+]=C(NCC(=O)Nc1cccnc1)NC1CC1 ZINC000261991030 135269549 /nfs/dbraw/zinc/26/95/49/135269549.db2.gz RGYBREPMPOKYSN-UHFFFAOYSA-N 1 0 233.275 0.087 20 30 BCEDRO [NH2+]=C(NCC1(O)CCCCC1)N1CCOCC1 ZINC000261990833 135269700 /nfs/dbraw/zinc/26/97/00/135269700.db2.gz LTZVWQUENYUCRY-UHFFFAOYSA-N 1 0 241.335 0.329 20 30 BCEDRO [NH2+]=C(NC[C@H](O)C(F)(F)F)Nc1ccccn1 ZINC000262009476 135272040 /nfs/dbraw/zinc/27/20/40/135272040.db2.gz STKWHPCMPKKHIF-LURJTMIESA-N 1 0 248.208 0.731 20 30 BCEDRO CN(C)C(=[NH+]CC1(O)CCCC1)N(C)C ZINC000262012692 135272179 /nfs/dbraw/zinc/27/21/79/135272179.db2.gz USRWGZSANDMVNC-UHFFFAOYSA-N 1 0 213.325 0.771 20 30 BCEDRO C=CCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000262132227 135280624 /nfs/dbraw/zinc/28/06/24/135280624.db2.gz DAOJDYKYFCQJSQ-LLVKDONJSA-N 1 0 211.309 0.861 20 30 BCEDRO C[NH+]=C(NCC(=O)N1CCCCC1)NC1CC1 ZINC000262190540 135284467 /nfs/dbraw/zinc/28/44/67/135284467.db2.gz YPBRRQZITSJDEZ-UHFFFAOYSA-N 1 0 238.335 0.326 20 30 BCEDRO CN(C)C(=[NH+]CC[C@H]1CCOC1)N(C)C ZINC000262187992 135284505 /nfs/dbraw/zinc/28/45/05/135284505.db2.gz FRQOPZPCVFEORE-JTQLQIEISA-N 1 0 213.325 0.892 20 30 BCEDRO C[NH+]=C(NCc1cccc(OC)n1)NC1CC1 ZINC000262181157 135284507 /nfs/dbraw/zinc/28/45/07/135284507.db2.gz WQUDEYZXSXDJDZ-UHFFFAOYSA-N 1 0 234.303 0.918 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCC(=O)NC2CC2)C1 ZINC000262182881 135284878 /nfs/dbraw/zinc/28/48/78/135284878.db2.gz BRAPJEBAUOBYKW-SECBINFHSA-N 1 0 238.335 0.312 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCC1=CCCOC1 ZINC000262259083 135288419 /nfs/dbraw/zinc/28/84/19/135288419.db2.gz FVRKUYVPORHRBR-SECBINFHSA-N 1 0 227.308 0.272 20 30 BCEDRO CN(C(=[NH2+])NCc1cccn1C)C1CC1 ZINC000262201725 135289459 /nfs/dbraw/zinc/28/94/59/135289459.db2.gz HLISSJKUOXCZRS-UHFFFAOYSA-N 1 0 206.293 0.934 20 30 BCEDRO [NH2+]=C(NCC1=CCCOC1)NC[C@H]1CCCO1 ZINC000262323313 135293254 /nfs/dbraw/zinc/29/32/54/135293254.db2.gz SKLQMUXIOQIROH-LLVKDONJSA-N 1 0 239.319 0.416 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1nnc2n1CCC2 ZINC000262320260 135293409 /nfs/dbraw/zinc/29/34/09/135293409.db2.gz QFVTVZJPOVYUCJ-UHFFFAOYSA-N 1 0 234.307 0.205 20 30 BCEDRO [NH2+]=C(NCC(=O)NCC1CC1)NC1CCCC1 ZINC000262345119 135294798 /nfs/dbraw/zinc/29/47/98/135294798.db2.gz ZNCNGWRTBSBHCB-UHFFFAOYSA-N 1 0 238.335 0.360 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1ncccc1O ZINC000262411899 135295386 /nfs/dbraw/zinc/29/53/86/135295386.db2.gz SNQWUKGCMLFYBO-MRVPVSSYSA-N 1 0 222.292 0.990 20 30 BCEDRO C[NH+]=C(NCc1ncccc1N(C)C)NC1CC1 ZINC000262402018 135295481 /nfs/dbraw/zinc/29/54/81/135295481.db2.gz VDGJLNOPWLFSFY-UHFFFAOYSA-N 1 0 247.346 0.975 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NCc1cncn1C ZINC000262403274 135295542 /nfs/dbraw/zinc/29/55/42/135295542.db2.gz VMKKUTSSXGNTST-UHFFFAOYSA-N 1 0 247.302 0.878 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2cnn3ccccc23)N1 ZINC000262420239 135295894 /nfs/dbraw/zinc/29/58/94/135295894.db2.gz BCJSKLVTIDNGQG-VIFPVBQESA-N 1 0 229.287 0.772 20 30 BCEDRO CC/[NH+]=C(\N(C)C)N1CC[C@@H](COC)C1 ZINC000262421916 135296007 /nfs/dbraw/zinc/29/60/07/135296007.db2.gz BJQHOGLXEHUVJZ-PJSNMCHCSA-N 1 0 213.325 0.892 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCC2(O)CCCC2)CCO1 ZINC000262424028 135296034 /nfs/dbraw/zinc/29/60/34/135296034.db2.gz CCMNIMYNHOOICR-SNVBAGLBSA-N 1 0 241.335 0.327 20 30 BCEDRO Cn1ccc(CNC(=[NH2+])NC[C@H]2CCCO2)c1 ZINC000262421930 135296139 /nfs/dbraw/zinc/29/61/39/135296139.db2.gz BJSPUAKTRUPMCF-LLVKDONJSA-N 1 0 236.319 0.608 20 30 BCEDRO [NH2+]=C(NCc1nc(C(F)(F)F)n[nH]1)NC1CC1 ZINC000262434296 135297142 /nfs/dbraw/zinc/29/71/42/135297142.db2.gz CAEHCPBCCFUQGT-UHFFFAOYSA-N 1 0 248.212 0.390 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@@H]1COC2(CCCC2)O1 ZINC000262375773 135298083 /nfs/dbraw/zinc/29/80/83/135298083.db2.gz MGXZDPIHXQAPBF-SNVBAGLBSA-N 1 0 241.335 0.985 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])N[C@H]2CC2(C)C)CCO1 ZINC000262442005 135299408 /nfs/dbraw/zinc/29/94/08/135299408.db2.gz HVCXEFMYKQEJBY-IUCAKERBSA-N 1 0 211.309 0.820 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCC2(C)CC2)CCO1 ZINC000262436362 135299515 /nfs/dbraw/zinc/29/95/15/135299515.db2.gz GJUQKMSYCPJVKY-VIFPVBQESA-N 1 0 211.309 0.822 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])N[C@H]2CC2(C)C)CCO1 ZINC000262442001 135299627 /nfs/dbraw/zinc/29/96/27/135299627.db2.gz HVCXEFMYKQEJBY-BDAKNGLRSA-N 1 0 211.309 0.820 20 30 BCEDRO C[NH+]=C(NCC1CC1)N1CC[C@H](COC)C1 ZINC000262472581 135300983 /nfs/dbraw/zinc/30/09/83/135300983.db2.gz PEZULVLTOLOHSA-NSHDSACASA-N 1 0 225.336 0.940 20 30 BCEDRO C[NH+]=C(NC[C@]1(O)CCSC1)NC(C)(C)C ZINC000262468854 135301106 /nfs/dbraw/zinc/30/11/06/135301106.db2.gz YRJLSBRFWXSJHC-LLVKDONJSA-N 1 0 245.392 0.818 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])N[C@@H]1CCn2ccnc2C1 ZINC000262466564 135301122 /nfs/dbraw/zinc/30/11/22/135301122.db2.gz YDCJPEYMFNUILS-VHSXEESVSA-N 1 0 235.335 0.901 20 30 BCEDRO C=C(C)COCCNC(=[NH2+])N1CCSCC1 ZINC000262529346 135304036 /nfs/dbraw/zinc/30/40/36/135304036.db2.gz PGFFDPKFJINNHO-UHFFFAOYSA-N 1 0 243.376 0.943 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ncccc1C ZINC000262546945 135305848 /nfs/dbraw/zinc/30/58/48/135305848.db2.gz VSTGUGUDWBVBPF-JTQLQIEISA-N 1 0 236.319 0.829 20 30 BCEDRO C[C@]1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCOC1 ZINC000262576747 135306029 /nfs/dbraw/zinc/30/60/29/135306029.db2.gz OPALOAKWXKNGLC-CMPLNLGQSA-N 1 0 241.335 0.496 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000262573771 135306446 /nfs/dbraw/zinc/30/64/46/135306446.db2.gz ZNXPCFDKYSIBCO-SCZZXKLOSA-N 1 0 231.365 0.557 20 30 BCEDRO CC/[NH+]=C(\N(C)C)N1CCN(C(C)=O)CC1 ZINC000262522608 135308760 /nfs/dbraw/zinc/30/87/60/135308760.db2.gz FJUCWUWMCDBHCY-VAWYXSNFSA-N 1 0 226.324 0.088 20 30 BCEDRO CC(=O)N1CCC[C@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262625043 135309338 /nfs/dbraw/zinc/30/93/38/135309338.db2.gz DGGLODLUJMFQRA-MWLCHTKSSA-N 1 0 238.335 0.182 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC2([S@@](C)=O)CCC2)N1 ZINC000262629410 135309602 /nfs/dbraw/zinc/30/96/02/135309602.db2.gz FJZNIAWIANEOTR-ANRSDYALSA-N 1 0 229.349 0.225 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H](O)C2CCCCC2)N1 ZINC000262640971 135309902 /nfs/dbraw/zinc/30/99/02/135309902.db2.gz HUIUQWHSPKCONW-GXSJLCMTSA-N 1 0 225.336 0.865 20 30 BCEDRO CC(=O)N1CCC(CNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000262666234 135311747 /nfs/dbraw/zinc/31/17/47/135311747.db2.gz OWOBVNJHWIPVRS-SECBINFHSA-N 1 0 238.335 0.182 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCOC[C@@H]2C)N1 ZINC000262676632 135312976 /nfs/dbraw/zinc/31/29/76/135312976.db2.gz UEXROWSYJNHDFO-IVZWLZJFSA-N 1 0 211.309 0.596 20 30 BCEDRO CN1CC[NH+]=C1NCC[S@@](=O)C(C)(C)C ZINC000262677732 135313306 /nfs/dbraw/zinc/31/33/06/135313306.db2.gz UOQXIQZZWNHFFI-OAHLLOKOSA-N 1 0 231.365 0.425 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCOC(F)(F)F)N1 ZINC000262676743 135313324 /nfs/dbraw/zinc/31/33/24/135313324.db2.gz UITIFQRNWFPFGL-YFKPBYRVSA-N 1 0 211.187 0.460 20 30 BCEDRO CO[C@@H]1C[C@@H](NC(=[NH2+])N2CCOCC2)C1(C)C ZINC000262692205 135313906 /nfs/dbraw/zinc/31/39/06/135313906.db2.gz CMDFHCZMCSGGNH-NXEZZACHSA-N 1 0 241.335 0.447 20 30 BCEDRO CO[C@@H](CNC1=[NH+]C[C@@H](C)N1)C(C)(C)C ZINC000262687740 135313948 /nfs/dbraw/zinc/31/39/48/135313948.db2.gz ZBFBAEJHQBHCHX-BDAKNGLRSA-N 1 0 213.325 0.985 20 30 BCEDRO Cc1nnsc1CNC(=[NH2+])NCC(C)C ZINC000262690190 135313967 /nfs/dbraw/zinc/31/39/67/135313967.db2.gz GBLFGDAYMOQMEG-UHFFFAOYSA-N 1 0 227.337 0.907 20 30 BCEDRO [NH2+]=C(NCCN1CCC1)N1CCCCCC1 ZINC000262758549 135317231 /nfs/dbraw/zinc/31/72/31/135317231.db2.gz CJIZVQGLUIUHGL-UHFFFAOYSA-N 1 0 224.352 0.883 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cccn(CC)c1=O ZINC000262771191 135317654 /nfs/dbraw/zinc/31/76/54/135317654.db2.gz LLAAKUOTLTUKIT-UHFFFAOYSA-N 1 0 234.303 0.459 20 30 BCEDRO C[NH+]=C(NCC1CC1)NCC1(O)CCC1 ZINC000262785731 135317928 /nfs/dbraw/zinc/31/79/28/135317928.db2.gz MGWBEJVSDIZZMV-UHFFFAOYSA-N 1 0 211.309 0.476 20 30 BCEDRO CNC(NCc1ccc(OC(F)F)cn1)=[NH+]C ZINC000262797588 135319018 /nfs/dbraw/zinc/31/90/18/135319018.db2.gz PVHHTPHBJIBERY-UHFFFAOYSA-N 1 0 244.245 0.978 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC=CO1 ZINC000262794013 135319326 /nfs/dbraw/zinc/31/93/26/135319326.db2.gz LHGWASJKWNIUDH-VHSXEESVSA-N 1 0 227.308 0.618 20 30 BCEDRO C=CC1CCN(C(=O)C[C@H](C[NH3+])OC)CC1 ZINC000262830784 135321237 /nfs/dbraw/zinc/32/12/37/135321237.db2.gz ZVZJNOVTOSJHEK-LLVKDONJSA-N 1 0 226.320 0.775 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1ccn(C)n1 ZINC000262999667 135326425 /nfs/dbraw/zinc/32/64/25/135326425.db2.gz OQVWARXGRFMADZ-MRVPVSSYSA-N 1 0 209.297 0.623 20 30 BCEDRO C[C@]1(CNC(=[NH2+])NC2CCCC2)CCC(=O)N1 ZINC000263038353 135328114 /nfs/dbraw/zinc/32/81/14/135328114.db2.gz BZEQEYCSKMEADV-GFCCVEGCSA-N 1 0 238.335 0.502 20 30 BCEDRO COc1ccncc1CNC1=[NH+]CCCN1C ZINC000263062407 135329542 /nfs/dbraw/zinc/32/95/42/135329542.db2.gz FRQUJLTXBKWOEB-UHFFFAOYSA-N 1 0 234.303 0.871 20 30 BCEDRO [NH2+]=C(NCC[C@@H]1CCOC1)NC1CCC1 ZINC000263063226 135330374 /nfs/dbraw/zinc/33/03/74/135330374.db2.gz FUNFLOBHJIKBNH-SECBINFHSA-N 1 0 211.309 0.870 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CCOC[C@@H]1OC ZINC000263064962 135330408 /nfs/dbraw/zinc/33/04/08/135330408.db2.gz GAXBEISAZCUKFR-MNOVXSKESA-N 1 0 241.335 0.518 20 30 BCEDRO [NH2+]=C(NCC[C@H]1CCOC1)NC1CCC1 ZINC000263063229 135330496 /nfs/dbraw/zinc/33/04/96/135330496.db2.gz FUNFLOBHJIKBNH-VIFPVBQESA-N 1 0 211.309 0.870 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CCO[C@H]1C=C ZINC000263093385 135332236 /nfs/dbraw/zinc/33/22/36/135332236.db2.gz UVMPTXRAENPLFB-UWVGGRQHSA-N 1 0 209.293 0.668 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCC(C)(C)CC#N)CCO1 ZINC000263096590 135332400 /nfs/dbraw/zinc/33/24/00/135332400.db2.gz JLYWHNSGGFXWQZ-JTQLQIEISA-N 1 0 238.335 0.962 20 30 BCEDRO CO[C@H]1COCC[C@@H]1C[NH+]=C(N(C)C)N(C)C ZINC000263108583 135333120 /nfs/dbraw/zinc/33/31/20/135333120.db2.gz KWVGPWTZKQTSDP-MNOVXSKESA-N 1 0 243.351 0.517 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CCC[C@@H]1C ZINC000263118997 135334351 /nfs/dbraw/zinc/33/43/51/135334351.db2.gz LTWPLNKXSCIYKW-NHCYSSNCSA-N 1 0 243.351 0.477 20 30 BCEDRO C[C@@H]1CCC[C@]1(O)CNC(=[NH2+])NC1CCC1 ZINC000263126369 135334626 /nfs/dbraw/zinc/33/46/26/135334626.db2.gz MNZLTARYQMCOGK-SKDRFNHKSA-N 1 0 225.336 0.994 20 30 BCEDRO C[C@H]1CC[C@H](CNC2=[NH+]CCCN2C)O1 ZINC000263174276 135337363 /nfs/dbraw/zinc/33/73/63/135337363.db2.gz SMQQGXSBDZRAAD-VHSXEESVSA-N 1 0 211.309 0.835 20 30 BCEDRO [NH2+]=C(N[C@H]1C[C@@H](O)C1)NC1CCCCC1 ZINC000263184187 135338165 /nfs/dbraw/zinc/33/81/65/135338165.db2.gz UPKIDJZLHPZASW-AOOOYVTPSA-N 1 0 211.309 0.747 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CC[C@@H](C)O1 ZINC000263191160 135338861 /nfs/dbraw/zinc/33/88/61/135338861.db2.gz VSVOSIYSLVREEF-IVZWLZJFSA-N 1 0 229.324 0.493 20 30 BCEDRO C[C@H]1CC[C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)O1 ZINC000263209114 135339164 /nfs/dbraw/zinc/33/91/64/135339164.db2.gz YTJMBKRFCBFGEH-AXFHLTTASA-N 1 0 241.335 0.589 20 30 BCEDRO CC1(C)[C@H](O)C[C@H]1NC(=[NH2+])NC1CCC1 ZINC000263206167 135339253 /nfs/dbraw/zinc/33/92/53/135339253.db2.gz YGXNHTXZRXDMIY-RKDXNWHRSA-N 1 0 211.309 0.603 20 30 BCEDRO CN(C)c1cccnc1CNC(=[NH2+])N1CCC1 ZINC000263202975 135339717 /nfs/dbraw/zinc/33/97/17/135339717.db2.gz XRBJACLNEGBLES-UHFFFAOYSA-N 1 0 233.319 0.668 20 30 BCEDRO C[C@H]1COCC[C@@H]1CNC1=[NH+]CCCN1C ZINC000263213033 135339811 /nfs/dbraw/zinc/33/98/11/135339811.db2.gz ZKIZPFROJSOHCX-WDEREUQCSA-N 1 0 225.336 0.940 20 30 BCEDRO Cc1cccnc1CCNC1=[NH+]C[C@@H](C)N1 ZINC000263210440 135340224 /nfs/dbraw/zinc/34/02/24/135340224.db2.gz YXGGGJZCIKEFMJ-SNVBAGLBSA-N 1 0 218.304 0.870 20 30 BCEDRO CN(C)C(=O)CNC(=[NH+]C1CC1)N1CCCC1 ZINC000263262559 135343369 /nfs/dbraw/zinc/34/33/69/135343369.db2.gz TWBMNGBBRXPIRY-UHFFFAOYSA-N 1 0 238.335 0.278 20 30 BCEDRO C[NH+]=C(NCC(=O)N(C)C)NC1CCCCC1 ZINC000263263727 135343871 /nfs/dbraw/zinc/34/38/71/135343871.db2.gz UKFLGPMZGPNIAL-UHFFFAOYSA-N 1 0 240.351 0.572 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCN(C(C)=O)CC1 ZINC000268653751 135364426 /nfs/dbraw/zinc/36/44/26/135364426.db2.gz PIICQMGWSYYVGV-LBPRGKRZSA-N 1 0 226.320 0.478 20 30 BCEDRO CCn1cc(CNC(=[NH2+])NCC(C)C)cn1 ZINC000285153744 135371397 /nfs/dbraw/zinc/37/13/97/135371397.db2.gz SBECRRVTHNBHIY-UHFFFAOYSA-N 1 0 223.324 0.963 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@]1(CCC)CCOC1 ZINC000285402425 135371964 /nfs/dbraw/zinc/37/19/64/135371964.db2.gz CPHUFZUQHQTFAC-GFCCVEGCSA-N 1 0 226.320 0.837 20 30 BCEDRO CC#CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000334367683 135374821 /nfs/dbraw/zinc/37/48/21/135374821.db2.gz RJLZCODQLNMFPT-LSDHHAIUSA-N 1 0 249.402 0.968 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CCO)C(C)C ZINC000294620174 135378146 /nfs/dbraw/zinc/37/81/46/135378146.db2.gz OSSLYSVGFBSEEB-NSHDSACASA-N 1 0 226.320 0.123 20 30 BCEDRO C#CC[N@H+](C)CCCN[C@@H]1CCn2ccnc21 ZINC000294136461 135378176 /nfs/dbraw/zinc/37/81/76/135378176.db2.gz OXSXBRJEKGRNEM-GFCCVEGCSA-N 1 0 232.331 0.873 20 30 BCEDRO C=CCOCC[NH2+][C@H](CO)c1cnn(C)c1 ZINC000294468733 135378301 /nfs/dbraw/zinc/37/83/01/135378301.db2.gz GRDLSMSAASCWLM-LLVKDONJSA-N 1 0 225.292 0.246 20 30 BCEDRO C=CCOCC[N@@H+]1C[C@@H](C)[C@H](C(=O)OC)C1 ZINC000293956892 135378365 /nfs/dbraw/zinc/37/83/65/135378365.db2.gz CEYFMXKWQHZPAR-GHMZBOCLSA-N 1 0 227.304 0.930 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](C)CC(=O)NC ZINC000295028668 135379265 /nfs/dbraw/zinc/37/92/65/135379265.db2.gz OIFHYBQGIWVXOB-LLVKDONJSA-N 1 0 225.336 0.056 20 30 BCEDRO [NH2+]=C(NCC1(CO)CCC1)N1CCSCC1 ZINC000181501450 135496281 /nfs/dbraw/zinc/49/62/81/135496281.db2.gz ILWMJIPEEAXCDW-UHFFFAOYSA-N 1 0 243.376 0.513 20 30 BCEDRO C[C@@H]1[NH2+]CCC[C@@H]1Nc1nccc(C#N)n1 ZINC000231944349 135642932 /nfs/dbraw/zinc/64/29/32/135642932.db2.gz ZDYNYHKBJPKVPQ-WPRPVWTQSA-N 1 0 217.276 0.901 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000194775587 135647951 /nfs/dbraw/zinc/64/79/51/135647951.db2.gz PAXIRPLNSIDTOU-NSHDSACASA-N 1 0 246.376 0.999 20 30 BCEDRO C=C(C)CNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000335295322 136006051 /nfs/dbraw/zinc/00/60/51/136006051.db2.gz IIYJCPSIGVXGLD-NXEZZACHSA-N 1 0 211.309 0.860 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335298506 136007445 /nfs/dbraw/zinc/00/74/45/136007445.db2.gz BCVMSOWKHICPJK-VIFPVBQESA-N 1 0 245.273 0.648 20 30 BCEDRO C=CCOCCC[NH+]1CCC(C(N)=O)CC1 ZINC000347976029 136022495 /nfs/dbraw/zinc/02/24/95/136022495.db2.gz XTWFHEOAWYPHJM-UHFFFAOYSA-N 1 0 226.320 0.776 20 30 BCEDRO C=CCOCCC[N@@H+]1CCO[C@H](COC)C1 ZINC000348063951 136025109 /nfs/dbraw/zinc/02/51/09/136025109.db2.gz WUOILLRLOXSFBL-LBPRGKRZSA-N 1 0 229.320 0.926 20 30 BCEDRO C=CCOCCCN1CCSC[C@@H]1C(N)=O ZINC000348029538 136027100 /nfs/dbraw/zinc/02/71/00/136027100.db2.gz FOIQCQQNWBXEBY-SNVBAGLBSA-N 1 0 244.360 0.482 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@H](CO)OC[C@@H]1C ZINC000348038549 136028715 /nfs/dbraw/zinc/02/87/15/136028715.db2.gz CFRBDMJRBHVQFP-NWDGAFQWSA-N 1 0 229.320 0.661 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H](N2CCOCC2)C[C@H]1C ZINC000335313589 136031409 /nfs/dbraw/zinc/03/14/09/136031409.db2.gz QNAPKIWXXXBTHT-OLZOCXBDSA-N 1 0 222.332 0.805 20 30 BCEDRO C=CCNC(=O)[C@H](C)N[C@@H](C)c1nc(C)no1 ZINC000348075677 136033895 /nfs/dbraw/zinc/03/38/95/136033895.db2.gz IIKAGHCWXABABD-YUMQZZPRSA-N 1 0 238.291 0.719 20 30 BCEDRO C=CCOCCC[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000348101891 136036081 /nfs/dbraw/zinc/03/60/81/136036081.db2.gz MJXCSDYHSIXAQD-ZDUSSCGKSA-N 1 0 242.363 0.578 20 30 BCEDRO C=CCN1CC[C@H](N2CCC([NH3+])CC2)C1=O ZINC000335384165 136088340 /nfs/dbraw/zinc/08/83/40/136088340.db2.gz CVAPVWLHRMHYEF-NSHDSACASA-N 1 0 223.320 0.196 20 30 BCEDRO Cn1cc(C[N@H+](C)[C@@H]2COC[C@@H]2O)cc1C#N ZINC000348637674 136114680 /nfs/dbraw/zinc/11/46/80/136114680.db2.gz ANTFQMOQTUXTFW-NEPJUHHUSA-N 1 0 235.287 0.088 20 30 BCEDRO CC#CCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000570626995 397755647 /nfs/dbraw/zinc/75/56/47/397755647.db2.gz RXRLBNZILUVAEZ-VIFPVBQESA-N 1 0 203.307 0.423 20 30 BCEDRO C=CCC[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000181954323 397822655 /nfs/dbraw/zinc/82/26/55/397822655.db2.gz HPURVVREMPASON-LLVKDONJSA-N 1 0 226.320 0.823 20 30 BCEDRO CCOC(=O)CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592151488 397944628 /nfs/dbraw/zinc/94/46/28/397944628.db2.gz PJHXEJFQBRMDFE-GFCCVEGCSA-N 1 0 240.303 0.680 20 30 BCEDRO COCC[C@@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151424 397944682 /nfs/dbraw/zinc/94/46/82/397944682.db2.gz OTFZPRBOQDZKCI-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO CC(C)(O)C[NH+]1CCN(CCCC#N)CC1 ZINC000082403978 397912393 /nfs/dbraw/zinc/91/23/93/397912393.db2.gz VSJINHGQBSXUJS-UHFFFAOYSA-N 1 0 225.336 0.679 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C[NH+](CC)CC ZINC000456753925 397995213 /nfs/dbraw/zinc/99/52/13/397995213.db2.gz BCARALUXOKTLIE-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO CC[C@@H](C#N)C(=O)N(C)CC1C[NH+](C)C1 ZINC000598158409 398027648 /nfs/dbraw/zinc/02/76/48/398027648.db2.gz GZXJQKACMJRSBT-JTQLQIEISA-N 1 0 209.293 0.556 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000598594423 398031838 /nfs/dbraw/zinc/03/18/38/398031838.db2.gz HFDDDCNATMYFBL-CMPLNLGQSA-N 1 0 226.320 0.744 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@](C)(O)C1 ZINC000598594425 398032007 /nfs/dbraw/zinc/03/20/07/398032007.db2.gz HFDDDCNATMYFBL-PWSUYJOCSA-N 1 0 226.320 0.744 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(C2(O)CC2)CC1 ZINC000649675174 398032525 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ZINC000491767867 398066847 /nfs/dbraw/zinc/06/68/47/398066847.db2.gz HMYFUJIQRLMRNG-WCBMZHEXSA-N 1 0 209.293 0.387 20 30 BCEDRO C[C@@H]([NH3+])[C@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000602480254 398074393 /nfs/dbraw/zinc/07/43/93/398074393.db2.gz BLDSDAVIQKERGZ-ZJUUUORDSA-N 1 0 221.304 0.876 20 30 BCEDRO C=CC(C)(C)CNC(=O)NCCOCCC[NH3+] ZINC000627050837 398098893 /nfs/dbraw/zinc/09/88/93/398098893.db2.gz VHJJUFHOQMOAND-UHFFFAOYSA-N 1 0 243.351 0.863 20 30 BCEDRO C=C(C)CCNC(=O)NCCOCC[NH2+]C ZINC000627050976 398098923 /nfs/dbraw/zinc/09/89/23/398098923.db2.gz ZYXMGDYLAFGCAH-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C=CCNC(=O)CN1C[C@H](C)OCC12CCC2 ZINC000649825894 398128123 /nfs/dbraw/zinc/12/81/23/398128123.db2.gz JCDZDVYFGGZXKZ-NSHDSACASA-N 1 0 238.331 0.932 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000669362767 487557824 /nfs/dbraw/zinc/55/78/24/487557824.db2.gz GEYCZJQDNRYCSS-DGCLKSJQSA-N 1 0 240.347 0.724 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000265523008 166143795 /nfs/dbraw/zinc/14/37/95/166143795.db2.gz IBQMLCAFUPGGCU-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO CC(C)OC[C@@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000353039849 167255231 /nfs/dbraw/zinc/25/52/31/167255231.db2.gz RENJUHKMTJEALY-SNVBAGLBSA-N 1 0 237.307 0.553 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000680431131 487592449 /nfs/dbraw/zinc/59/24/49/487592449.db2.gz ZPUURSDGGZRXCY-QWHCGFSZSA-N 1 0 222.332 0.805 20 30 BCEDRO C#CCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000278385873 166147079 /nfs/dbraw/zinc/14/70/79/166147079.db2.gz BBGSNORJEVHFTJ-LLVKDONJSA-N 1 0 206.289 0.753 20 30 BCEDRO C#CCN(C(=O)C[NH+](CC)CC)C1CC1 ZINC000274132098 166152518 /nfs/dbraw/zinc/15/25/18/166152518.db2.gz VTLQEDZWHAAXIR-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000278995588 166130299 /nfs/dbraw/zinc/13/02/99/166130299.db2.gz BXLVIMFMCXSSND-LBPRGKRZSA-N 1 0 235.287 0.074 20 30 BCEDRO C#CCC[NH+]1CCC(O)(C(=O)OCC)CC1 ZINC000270576952 166136378 /nfs/dbraw/zinc/13/63/78/166136378.db2.gz HWTSIRCHBGQXEM-UHFFFAOYSA-N 1 0 225.288 0.400 20 30 BCEDRO C#CCC[N@H+]1CC(=O)N[C@H]2CCCC[C@H]21 ZINC000270657495 166136454 /nfs/dbraw/zinc/13/64/54/166136454.db2.gz VBORIEAVLGBDMP-WDEREUQCSA-N 1 0 206.289 0.753 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653092810 409686050 /nfs/dbraw/zinc/68/60/50/409686050.db2.gz LSTMGYGTYRGDCS-NHCYSSNCSA-N 1 0 224.304 0.303 20 30 BCEDRO CCC(CC)[NH2+]CCNc1cc(C#N)ncn1 ZINC000599097483 409754253 /nfs/dbraw/zinc/75/42/53/409754253.db2.gz JFWDHWJHWXHRMY-UHFFFAOYSA-N 1 0 233.319 1.538 20 30 BCEDRO C=CCOCCCNC(=O)C[C@@H](C[NH3+])OC ZINC000662664627 409822503 /nfs/dbraw/zinc/82/25/03/409822503.db2.gz UMAQITSJIBAVQU-JTQLQIEISA-N 1 0 230.308 0.059 20 30 BCEDRO C=CC(C)(C)C(=O)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000655293973 409829618 /nfs/dbraw/zinc/82/96/18/409829618.db2.gz FJYFKLFAIWPMEH-WDEREUQCSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCCNC(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000660835708 409819240 /nfs/dbraw/zinc/81/92/40/409819240.db2.gz HGBPIEWRETWXCQ-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@H]1CCC[N@H+]1C ZINC000267691653 166162019 /nfs/dbraw/zinc/16/20/19/166162019.db2.gz RNLSTBJSIJKVKU-LLVKDONJSA-N 1 0 204.273 0.176 20 30 BCEDRO C=CCN(Cc1cn(C)nn1)[C@H](C)COC ZINC000661241408 410404104 /nfs/dbraw/zinc/40/41/04/410404104.db2.gz XLOOTKVJKCUFFS-SNVBAGLBSA-N 1 0 224.308 0.838 20 30 BCEDRO C=CC[N@@H+](CCn1cncn1)[C@H](C)COC ZINC000661241492 410404422 /nfs/dbraw/zinc/40/44/22/410404422.db2.gz ZEPYRDBPILNEAP-LLVKDONJSA-N 1 0 224.308 0.801 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000270893217 166162622 /nfs/dbraw/zinc/16/26/22/166162622.db2.gz CZSBVTKUTXTAGV-ZDUSSCGKSA-N 1 0 248.326 0.050 20 30 BCEDRO C#CCNC(=O)COC1CCC([NH3+])CC1 ZINC000055142964 166173637 /nfs/dbraw/zinc/17/36/37/166173637.db2.gz RTUPWYFXSYJDGH-UHFFFAOYSA-N 1 0 210.277 0.022 20 30 BCEDRO C#CCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000274524297 166174528 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/nfs/dbraw/zinc/33/78/69/166337869.db2.gz CWRGBTCVAKBYQZ-UHFFFAOYSA-N 1 0 249.314 0.258 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)NCC#CC)CC1 ZINC000179357115 166352662 /nfs/dbraw/zinc/35/26/62/166352662.db2.gz NWLAWCIEOGYIRE-UHFFFAOYSA-N 1 0 235.331 0.959 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2cn(C)cn2)CC1 ZINC000179344483 166352770 /nfs/dbraw/zinc/35/27/70/166352770.db2.gz XDLROMDZMYFMLF-UHFFFAOYSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[NH+]1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000158545397 166353933 /nfs/dbraw/zinc/35/39/33/166353933.db2.gz PQDXDYDRLPMPQC-UHFFFAOYSA-N 1 0 238.287 0.956 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266264525 166355425 /nfs/dbraw/zinc/35/54/25/166355425.db2.gz YNQUXWVSSQKKMV-SECBINFHSA-N 1 0 234.303 0.874 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000377255088 166366637 /nfs/dbraw/zinc/36/66/37/166366637.db2.gz HFTBSQQJBNOSGE-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@](C)(C(=O)OC)C1 ZINC000177463546 166368768 /nfs/dbraw/zinc/36/87/68/166368768.db2.gz YZKPWMIMTCJRFJ-GFCCVEGCSA-N 1 0 240.303 0.174 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCCC[C@@H]1C ZINC000016484626 166375732 /nfs/dbraw/zinc/37/57/32/166375732.db2.gz YEPGVJSLXGEAPJ-JTQLQIEISA-N 1 0 239.319 0.873 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH+]1CCCCCC1 ZINC000016442724 166376259 /nfs/dbraw/zinc/37/62/59/166376259.db2.gz UZALULOFDAHESK-UHFFFAOYSA-N 1 0 239.319 0.874 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](O)C1 ZINC000048776069 166381878 /nfs/dbraw/zinc/38/18/78/166381878.db2.gz VQEAXYZJNAPEMI-ZJUUUORDSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@@H]1CCOC1 ZINC000178756572 166382845 /nfs/dbraw/zinc/38/28/45/166382845.db2.gz NLYCWQVXPCKBOC-MNOVXSKESA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCOCCCC(=O)N1CC[C@H](C[NH3+])C1 ZINC000178553747 166413778 /nfs/dbraw/zinc/41/37/78/166413778.db2.gz USQTWTHMJSLTMY-LLVKDONJSA-N 1 0 226.320 0.776 20 30 BCEDRO C[NH+]1CCC(CNc2ccc(C#N)c(N)n2)CC1 ZINC000563419922 410821967 /nfs/dbraw/zinc/82/19/67/410821967.db2.gz FFSPFILSNPNIPY-UHFFFAOYSA-N 1 0 245.330 1.289 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+](C)C[C@@H]1COCCO1 ZINC000661611994 411053460 /nfs/dbraw/zinc/05/34/60/411053460.db2.gz NOZBZHBNQDPFDF-GHMZBOCLSA-N 1 0 215.293 0.271 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+](C)C[C@H]1COCCO1 ZINC000661611996 411054600 /nfs/dbraw/zinc/05/46/00/411054600.db2.gz NOZBZHBNQDPFDF-QWRGUYRKSA-N 1 0 215.293 0.271 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)C[C@H]1COCCO1 ZINC000661602724 411017742 /nfs/dbraw/zinc/01/77/42/411017742.db2.gz DYADPWURMZDITN-NEPJUHHUSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000659555735 411163748 /nfs/dbraw/zinc/16/37/48/411163748.db2.gz SRXUIBNMRGUJIT-QWRGUYRKSA-N 1 0 241.335 0.616 20 30 BCEDRO C=CCCn1cc(CN(C)[C@H]2CC[NH2+]C2)nn1 ZINC000655938643 411161320 /nfs/dbraw/zinc/16/13/20/411161320.db2.gz ZVYHFBULQMMHBD-LBPRGKRZSA-N 1 0 235.335 0.648 20 30 BCEDRO C[NH+](C)CC(=O)NCc1ccc(C#N)c(F)c1 ZINC000404578365 411169989 /nfs/dbraw/zinc/16/99/89/411169989.db2.gz VCEGKGHMCSATTP-UHFFFAOYSA-N 1 0 235.262 0.875 20 30 BCEDRO C=CCCOCC[NH2+][C@@H](C)Cn1cncn1 ZINC000657933573 411172616 /nfs/dbraw/zinc/17/26/16/411172616.db2.gz SOGVZZSPZYIOGH-NSHDSACASA-N 1 0 224.308 0.849 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)Cn1cncn1 ZINC000657936318 411173535 /nfs/dbraw/zinc/17/35/35/411173535.db2.gz FKMNKLGNSFIGDL-GHMZBOCLSA-N 1 0 224.308 0.441 20 30 BCEDRO N#Cc1nc(N[C@@H]2CC[NH2+]C2)sc1Cl ZINC000596015729 411178011 /nfs/dbraw/zinc/17/80/11/411178011.db2.gz HQKMEGHRSOIIHI-RXMQYKEDSA-N 1 0 228.708 1.442 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000660025950 411181774 /nfs/dbraw/zinc/18/17/74/411181774.db2.gz CILGSFROYXUOAG-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)Cn1cncn1 ZINC000657974462 411183719 /nfs/dbraw/zinc/18/37/19/411183719.db2.gz PATOCAYEBHWKCB-UWVGGRQHSA-N 1 0 210.281 0.193 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H](C)[NH2+]CC ZINC000309654532 411195575 /nfs/dbraw/zinc/19/55/75/411195575.db2.gz VANLPZXPBMRBIB-SNVBAGLBSA-N 1 0 214.309 0.693 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)Cn1cncn1 ZINC000658028336 411205574 /nfs/dbraw/zinc/20/55/74/411205574.db2.gz CLPJEVZWPLCSTC-AXFHLTTASA-N 1 0 222.292 0.600 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)Cn1cncn1 ZINC000658032674 411210470 /nfs/dbraw/zinc/21/04/70/411210470.db2.gz VZGWQPNOXBOIIM-WDEREUQCSA-N 1 0 224.308 0.583 20 30 BCEDRO C=CCNC(=O)NCCCn1ccnc1 ZINC000048727518 411213492 /nfs/dbraw/zinc/21/34/92/411213492.db2.gz ACHAJZWLWHWGNK-UHFFFAOYSA-N 1 0 208.265 0.758 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000659612342 411236060 /nfs/dbraw/zinc/23/60/60/411236060.db2.gz XLGKNQVVMMOIBA-JTQLQIEISA-N 1 0 227.308 0.179 20 30 BCEDRO COCC#CC[NH2+][C@](C)(C(N)=O)C(C)C ZINC000656539707 411293221 /nfs/dbraw/zinc/29/32/21/411293221.db2.gz MIWVURUDAJCZTR-NSHDSACASA-N 1 0 212.293 0.126 20 30 BCEDRO C=CCNC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000656540779 411294060 /nfs/dbraw/zinc/29/40/60/411294060.db2.gz RIKPHWYJHPQWHE-SNVBAGLBSA-N 1 0 211.309 0.908 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000602532207 411296113 /nfs/dbraw/zinc/29/61/13/411296113.db2.gz DYNFFMPSJTUWSK-NEPJUHHUSA-N 1 0 237.303 0.127 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000124961562 411331756 /nfs/dbraw/zinc/33/17/56/411331756.db2.gz UYLYTLROCCEHJF-VHSXEESVSA-N 1 0 232.349 0.752 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCCC[C@@H]1CO ZINC000124789184 411321039 /nfs/dbraw/zinc/32/10/39/411321039.db2.gz FSUVZMVNINHZAW-LLVKDONJSA-N 1 0 226.320 0.526 20 30 BCEDRO C=CCn1cc(Cn2ccc(C[NH2+]CC)n2)nn1 ZINC000656445884 411255373 /nfs/dbraw/zinc/25/53/73/411255373.db2.gz XVIXNTBCGJGIKF-UHFFFAOYSA-N 1 0 246.318 0.818 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCN1C(=O)CNC1=O ZINC000662083652 411358019 /nfs/dbraw/zinc/35/80/19/411358019.db2.gz IPUUVBNGOFFBIV-PHIMTYICSA-N 1 0 249.314 0.721 20 30 BCEDRO C=CCN(C(=O)[C@H](C)C[NH3+])[C@H](C)COC ZINC000659338749 411366080 /nfs/dbraw/zinc/36/60/80/411366080.db2.gz AOIMDFOVRXAYAD-NXEZZACHSA-N 1 0 214.309 0.631 20 30 BCEDRO C=CCCNC(=O)COC1CCC([NH3+])CC1 ZINC000659338471 411366087 /nfs/dbraw/zinc/36/60/87/411366087.db2.gz RPXOUVZNNMOJTK-UHFFFAOYSA-N 1 0 226.320 0.965 20 30 BCEDRO C=CCN(C(=O)C[NH2+]C)[C@H](C)COC ZINC000659339400 411366726 /nfs/dbraw/zinc/36/67/26/411366726.db2.gz HYCHVLDOVZNDSY-SECBINFHSA-N 1 0 200.282 0.255 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000654296564 411368099 /nfs/dbraw/zinc/36/80/99/411368099.db2.gz WKCVCTXBWKZPCM-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCC[NH2+]C[C@@H](O)COC1CCOCC1 ZINC000656705009 411339488 /nfs/dbraw/zinc/33/94/88/411339488.db2.gz LXRXINIBAFCTLV-LLVKDONJSA-N 1 0 229.320 0.709 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CCC(C)C ZINC000662168679 411372324 /nfs/dbraw/zinc/37/23/24/411372324.db2.gz QHXKCZOVGLMWPY-MNOVXSKESA-N 1 0 201.310 0.920 20 30 BCEDRO C=CC[C@H]1CCCN(C(=O)NCC[NH3+])C1 ZINC000659508745 411464427 /nfs/dbraw/zinc/46/44/27/411464427.db2.gz XVEOQPAGJQEQPJ-JTQLQIEISA-N 1 0 211.309 0.943 20 30 BCEDRO C=CCN(C(=O)[C@H](C)C[NH2+]C)[C@H](C)COC ZINC000659339518 411398615 /nfs/dbraw/zinc/39/86/15/411398615.db2.gz ISWYAOJGAOMRLK-GHMZBOCLSA-N 1 0 228.336 0.891 20 30 BCEDRO C=CCN(C(=O)[C@@H](C)[NH3+])[C@H](C)COC ZINC000659339195 411398790 /nfs/dbraw/zinc/39/87/90/411398790.db2.gz FFQPOIDTSOIICH-RKDXNWHRSA-N 1 0 200.282 0.383 20 30 BCEDRO C=CCOCCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000659358391 411401965 /nfs/dbraw/zinc/40/19/65/411401965.db2.gz IERLHHIKYRIOFV-LBPRGKRZSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCOCCNC(=O)CC1(C[NH3+])CC1 ZINC000659384497 411404378 /nfs/dbraw/zinc/40/43/78/411404378.db2.gz YJWUNCLZNHGLCU-UHFFFAOYSA-N 1 0 212.293 0.434 20 30 BCEDRO C=CCCS(=O)(=O)NCC[C@H](C)[NH+](C)C ZINC000657093521 411406056 /nfs/dbraw/zinc/40/60/56/411406056.db2.gz XEJBURZSEYXSIN-JTQLQIEISA-N 1 0 234.365 0.822 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@H](C)C[NH2+]C ZINC000659500172 411422088 /nfs/dbraw/zinc/42/20/88/411422088.db2.gz ADLQYCIISWKGON-BBBLOLIVSA-N 1 0 227.308 0.237 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)C[NH2+]C ZINC000659500719 411422443 /nfs/dbraw/zinc/42/24/43/411422443.db2.gz FTAGRJFESILLLD-MXWKQRLJSA-N 1 0 241.335 0.627 20 30 BCEDRO CN(C)S(=O)(=O)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336726643 411434025 /nfs/dbraw/zinc/43/40/25/411434025.db2.gz CILOXJBQOCGEHL-VHSXEESVSA-N 1 0 245.348 0.160 20 30 BCEDRO C=CCOCCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000659552142 411434572 /nfs/dbraw/zinc/43/45/72/411434572.db2.gz XRDFZXWAIPXELS-VHSXEESVSA-N 1 0 229.324 0.614 20 30 BCEDRO C=CCCNC(=O)N1C[C@@H](C[NH3+])[C@H](OCC)C1 ZINC000659562024 411436248 /nfs/dbraw/zinc/43/62/48/411436248.db2.gz WYTSXHXVSMBDQH-GHMZBOCLSA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000659562023 411436255 /nfs/dbraw/zinc/43/62/55/411436255.db2.gz WWZHSIPCGPJHIG-UHFFFAOYSA-N 1 0 209.293 0.614 20 30 BCEDRO C=CCCNC(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000659561236 411436262 /nfs/dbraw/zinc/43/62/62/411436262.db2.gz HLUOCCXXQODRES-UWVGGRQHSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659561311 411436300 /nfs/dbraw/zinc/43/63/00/411436300.db2.gz JEGWTJSNGIJELE-RKDXNWHRSA-N 1 0 215.272 0.643 20 30 BCEDRO C=CCOCCCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000659595184 411439213 /nfs/dbraw/zinc/43/92/13/411439213.db2.gz AJZRYPKDQLNAEZ-JTQLQIEISA-N 1 0 227.308 0.322 20 30 BCEDRO C=CCOCCCNC(=O)NCC[C@H](C)[NH3+] ZINC000659597228 411440085 /nfs/dbraw/zinc/44/00/85/411440085.db2.gz OTUUMZZIHACWTI-JTQLQIEISA-N 1 0 229.324 0.616 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H](C)[C@@H](C)CO)nn1 ZINC000653615292 411441063 /nfs/dbraw/zinc/44/10/63/411441063.db2.gz ATXLCKWLIUCDDB-WDEREUQCSA-N 1 0 238.335 0.961 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000659609253 411441512 /nfs/dbraw/zinc/44/15/12/411441512.db2.gz GHWBPDVWQFWUJL-JTQLQIEISA-N 1 0 227.308 0.192 20 30 BCEDRO C=CCN(C(=O)N[C@@H](C)C[NH2+]C)C1CC1 ZINC000659634530 411444306 /nfs/dbraw/zinc/44/43/06/411444306.db2.gz BGDARBQYCQAIOD-VIFPVBQESA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCN(C)C(=O)C(=O)NCC1([NH3+])CCCC1 ZINC000659732049 411449265 /nfs/dbraw/zinc/44/92/65/411449265.db2.gz ITRJIUMEAYNQLS-UHFFFAOYSA-N 1 0 239.319 0.019 20 30 BCEDRO C=CCCCCNC(=O)C(=O)N[C@H](C)C[NH2+]C ZINC000659757431 411449651 /nfs/dbraw/zinc/44/96/51/411449651.db2.gz VNUBJOZTSBDAMF-SNVBAGLBSA-N 1 0 241.335 0.183 20 30 BCEDRO C=CCCCN(C)C(=O)C(=O)N[C@@H](C)C[NH2+]C ZINC000659751720 411449683 /nfs/dbraw/zinc/44/96/83/411449683.db2.gz JEAHQJVNWGMQEY-JTQLQIEISA-N 1 0 241.335 0.135 20 30 BCEDRO C=CCOCCNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000654990060 411472083 /nfs/dbraw/zinc/47/20/83/411472083.db2.gz AHPSDHMNRFCWRM-NSHDSACASA-N 1 0 226.320 0.647 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H](C)CCO)nn1 ZINC000657368708 411480070 /nfs/dbraw/zinc/48/00/70/411480070.db2.gz RPFPSRJQTXKRGL-SNVBAGLBSA-N 1 0 224.308 0.715 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@H](O)C2CC2)nn1 ZINC000657369335 411480121 /nfs/dbraw/zinc/48/01/21/411480121.db2.gz ZAJBICQQGRUGCS-LBPRGKRZSA-N 1 0 236.319 0.715 20 30 BCEDRO C=CCN(C(=O)NC[C@H](C)C[NH3+])[C@H](C)COC ZINC000659525399 411483107 /nfs/dbraw/zinc/48/31/07/411483107.db2.gz FUTDQYKPNCVOIC-GHMZBOCLSA-N 1 0 243.351 0.814 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@@H](C)CCO)nn1 ZINC000657381654 411488184 /nfs/dbraw/zinc/48/81/84/411488184.db2.gz HDEPMOLZSYWTSO-NSHDSACASA-N 1 0 238.335 0.962 20 30 BCEDRO C=CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000659536560 411502499 /nfs/dbraw/zinc/50/24/99/411502499.db2.gz NWORDJJDGNTOMS-VHSXEESVSA-N 1 0 211.309 0.860 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000655136762 411502562 /nfs/dbraw/zinc/50/25/62/411502562.db2.gz BVYKNMDENGTLKA-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)C[N@H+](CC)CCN1C(=O)CN(C)C1=O ZINC000659829941 411466800 /nfs/dbraw/zinc/46/68/00/411466800.db2.gz XGMYCIIZXKXXEJ-UHFFFAOYSA-N 1 0 239.319 0.778 20 30 BCEDRO C=CCOCCC[NH2+]Cc1cn(C)nn1 ZINC000657657771 411571946 /nfs/dbraw/zinc/57/19/46/411571946.db2.gz BTBVDLSGCRAXCC-UHFFFAOYSA-N 1 0 210.281 0.497 20 30 BCEDRO CC[NH+]1CCC(Nc2ccc(C#N)c(N)n2)CC1 ZINC000576052502 411629196 /nfs/dbraw/zinc/62/91/96/411629196.db2.gz MRDHJAXMFPFSPZ-UHFFFAOYSA-N 1 0 245.330 1.432 20 30 BCEDRO C=CCNC(=O)CN1CCC[N@@H+](CC)C[C@@H]1C ZINC000660792668 411635402 /nfs/dbraw/zinc/63/54/02/411635402.db2.gz FHKFCJYWZHUDCB-LBPRGKRZSA-N 1 0 239.363 0.705 20 30 BCEDRO C=CCCS(=O)(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663312751 411621670 /nfs/dbraw/zinc/62/16/70/411621670.db2.gz HQSPCMNNUOWAPZ-SECBINFHSA-N 1 0 218.322 0.234 20 30 BCEDRO C=CC[N@@H+](C[C@@H](O)COC)[C@H](C)COC ZINC000661240919 411740255 /nfs/dbraw/zinc/74/02/55/411740255.db2.gz SXOMHXUAFFEHLH-GHMZBOCLSA-N 1 0 217.309 0.517 20 30 BCEDRO CCc1cc(NC(=O)[C@H]([NH3+])CCCC#N)n[nH]1 ZINC000592058595 411767138 /nfs/dbraw/zinc/76/71/38/411767138.db2.gz HUTUNVRBFPISJK-SECBINFHSA-N 1 0 235.291 0.932 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@H]1[C@H](C)CO ZINC000661433601 411773279 /nfs/dbraw/zinc/77/32/79/411773279.db2.gz LOQQNRCZDMCLGM-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@@H](COC)C1CCOCC1 ZINC000661158164 411721830 /nfs/dbraw/zinc/72/18/30/411721830.db2.gz MQYLNZFDUAURHF-OLZOCXBDSA-N 1 0 243.347 0.955 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H](COC)C1CCOCC1 ZINC000661158166 411722729 /nfs/dbraw/zinc/72/27/29/411722729.db2.gz MQYLNZFDUAURHF-QWHCGFSZSA-N 1 0 243.347 0.955 20 30 BCEDRO CCn1ccc(NC(=O)[C@@H]([NH3+])CCCC#N)n1 ZINC000595255157 411809027 /nfs/dbraw/zinc/80/90/27/411809027.db2.gz LNBXZXALDBWOCJ-VIFPVBQESA-N 1 0 235.291 0.863 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661601289 411811900 /nfs/dbraw/zinc/81/19/00/411811900.db2.gz MMWOALBFTALNHY-UTUOFQBUSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661700947 411846040 /nfs/dbraw/zinc/84/60/40/411846040.db2.gz NXZNOVZSUVIJBW-GRYCIOLGSA-N 1 0 211.305 0.892 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000661702476 411847381 /nfs/dbraw/zinc/84/73/81/411847381.db2.gz PZJJFAUTIREODI-JQWIXIFHSA-N 1 0 224.304 0.257 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000331111838 411848414 /nfs/dbraw/zinc/84/84/14/411848414.db2.gz BZWLHBAXUCMAQY-SNVBAGLBSA-N 1 0 249.318 0.372 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCc2cnc(N)nc2C1 ZINC000623293878 411848723 /nfs/dbraw/zinc/84/87/23/411848723.db2.gz JWFGVZAPRWPNHY-NSHDSACASA-N 1 0 248.330 0.744 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](c2ccnc(N)n2)C1 ZINC000368456034 411849794 /nfs/dbraw/zinc/84/97/94/411849794.db2.gz WSGJRUABVKGXCF-SNVBAGLBSA-N 1 0 216.288 0.871 20 30 BCEDRO C=CCOCCC[N@H+]1CCc2nnc(N)cc2C1 ZINC000548423311 411850701 /nfs/dbraw/zinc/85/07/01/411850701.db2.gz UNJLMRZJLGGMJN-UHFFFAOYSA-N 1 0 248.330 1.010 20 30 BCEDRO CCC#C[C@H](C)[N@H+]1CCC(=O)N(C)CC1 ZINC000661807107 411889390 /nfs/dbraw/zinc/88/93/90/411889390.db2.gz LWYGACPTPKANEI-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2ncnn2C)CC1 ZINC000664251610 411898184 /nfs/dbraw/zinc/89/81/84/411898184.db2.gz CSCMEKTWGUVWPH-UHFFFAOYSA-N 1 0 249.318 0.195 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1C[C@@H](O)C12CCC2 ZINC000661839225 411899274 /nfs/dbraw/zinc/89/92/74/411899274.db2.gz OYLMUGUAKWISPX-HBNTYKKESA-N 1 0 238.331 0.570 20 30 BCEDRO C=C[C@H](CO)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000664605921 411996390 /nfs/dbraw/zinc/99/63/90/411996390.db2.gz QIRBKHKADXMSAO-MRVPVSSYSA-N 1 0 234.303 0.896 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCOC[C@H]1CCCO1 ZINC000662166009 411997761 /nfs/dbraw/zinc/99/77/61/411997761.db2.gz XTQVCWRMBAFSED-GHMZBOCLSA-N 1 0 215.293 0.319 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662138505 411999947 /nfs/dbraw/zinc/99/99/47/411999947.db2.gz WTXQJDZMJNDEEZ-JQWIXIFHSA-N 1 0 226.320 0.239 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NC1CCC(C)CC1 ZINC000662165740 412014170 /nfs/dbraw/zinc/01/41/70/412014170.db2.gz NNBRVRIUPTYXPI-MOENNCHZSA-N 1 0 240.347 0.818 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccn(C)c(=O)c1 ZINC000662165750 412014768 /nfs/dbraw/zinc/01/47/68/412014768.db2.gz NTRIDJXIXLYCRJ-SNVBAGLBSA-N 1 0 208.261 0.022 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N1CCC(C)CC1 ZINC000662167988 412015492 /nfs/dbraw/zinc/01/54/92/412015492.db2.gz WTGPSTAZGAMWSZ-VXGBXAGGSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@H](CO)NCc1nnc(C2CCC2)n1C ZINC000662168555 412015753 /nfs/dbraw/zinc/01/57/53/412015753.db2.gz KQSNRZWGZYFPSZ-SNVBAGLBSA-N 1 0 236.319 0.719 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cc(=O)c(OC)co1 ZINC000662167291 412015887 /nfs/dbraw/zinc/01/58/87/412015887.db2.gz YRUCTXZLVGIDKN-MRVPVSSYSA-N 1 0 225.244 0.285 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(C)Cc1ccco1 ZINC000662167985 412016105 /nfs/dbraw/zinc/01/61/05/412016105.db2.gz WPCVKYQGYNMOFL-SNVBAGLBSA-N 1 0 238.287 0.375 20 30 BCEDRO C=C[C@H](CO)N[C@H](C)c1cnc(C)cn1 ZINC000662168347 412016419 /nfs/dbraw/zinc/01/64/19/412016419.db2.gz CBPADLNLHIGRCX-NXEZZACHSA-N 1 0 207.277 0.983 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCC1CCCCC1 ZINC000662168127 412016638 /nfs/dbraw/zinc/01/66/38/412016638.db2.gz YXUWTFJOZLNZCF-GFCCVEGCSA-N 1 0 240.347 0.819 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@@H]2CCCC[C@H]2NC1=O ZINC000662168940 412018004 /nfs/dbraw/zinc/01/80/04/412018004.db2.gz ZOSKESXWZQMKTK-IRCOFANPSA-N 1 0 238.331 0.570 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H]2COC[C@H]2C1 ZINC000662031909 411948130 /nfs/dbraw/zinc/94/81/30/411948130.db2.gz GPOPERWUPGNTDX-NWDGAFQWSA-N 1 0 209.289 0.605 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H]2COC[C@H]2C1 ZINC000662040843 411957303 /nfs/dbraw/zinc/95/73/03/411957303.db2.gz SGMZAVCVSRLILE-GHMZBOCLSA-N 1 0 224.304 0.257 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ccc(C#N)c(N)n1 ZINC000491749403 412042348 /nfs/dbraw/zinc/04/23/48/412042348.db2.gz UTMWOGBHIDTXKA-UHFFFAOYSA-N 1 0 243.314 0.902 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cc(C#N)ncn1 ZINC000392751659 412042659 /nfs/dbraw/zinc/04/26/59/412042659.db2.gz DLBVQEGTYZAOFV-UHFFFAOYSA-N 1 0 229.287 0.715 20 30 BCEDRO C=C(C)CCNC(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000665021300 412059900 /nfs/dbraw/zinc/05/99/00/412059900.db2.gz UVSJFYJMNDTXRI-QWRGUYRKSA-N 1 0 241.335 0.269 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044828224 171217728 /nfs/dbraw/zinc/21/77/28/171217728.db2.gz DFSYJRZFMCCFOT-ZJUUUORDSA-N 1 0 221.304 0.889 20 30 BCEDRO CC[C@H](C(=O)N[C@@H](C#N)C(C)C)[NH+](C)C ZINC000332446511 171230665 /nfs/dbraw/zinc/23/06/65/171230665.db2.gz FORXVWZOUPYESR-VHSXEESVSA-N 1 0 211.309 0.991 20 30 BCEDRO C=CC[C@H](CO)CNc1ncnc(N)c1OC ZINC000583451283 412138321 /nfs/dbraw/zinc/13/83/21/412138321.db2.gz PYYMXFINNZBYQC-QMMMGPOBSA-N 1 0 238.291 0.664 20 30 BCEDRO C=C(CC)CNc1ncnc(N)c1OC ZINC000563423712 412091402 /nfs/dbraw/zinc/09/14/02/412091402.db2.gz IJYWNEWBXDEHTM-UHFFFAOYSA-N 1 0 208.265 1.446 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000662322234 412100320 /nfs/dbraw/zinc/10/03/20/412100320.db2.gz RVEQFGSEFYJOOL-OPRDCNLKSA-N 1 0 229.299 0.048 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[N@@H+](C)CC1 ZINC000665161273 412115628 /nfs/dbraw/zinc/11/56/28/412115628.db2.gz BITQNULUYMMYCK-LLVKDONJSA-N 1 0 212.293 0.088 20 30 BCEDRO C=CC[NH+]1CCC(Nc2ccc(=O)n(C)n2)CC1 ZINC000346106655 412127378 /nfs/dbraw/zinc/12/73/78/412127378.db2.gz SXJFZFHYHCFXGV-UHFFFAOYSA-N 1 0 248.330 0.843 20 30 BCEDRO C[C@@H]1C[C@@H](Nc2ccc(C#N)c(N)n2)CC[NH2+]1 ZINC000596015749 412148749 /nfs/dbraw/zinc/14/87/49/412148749.db2.gz HWLBLHFQNDQQOX-SCZZXKLOSA-N 1 0 231.303 1.088 20 30 BCEDRO C[NH+](C)CCn1ccc(NC(=O)NCCF)n1 ZINC000331224657 412163582 /nfs/dbraw/zinc/16/35/82/412163582.db2.gz MIEBHIUDXBCVNI-UHFFFAOYSA-N 1 0 243.286 0.740 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662433662 412171929 /nfs/dbraw/zinc/17/19/29/412171929.db2.gz NXSAUHQWRQIPEG-WDEREUQCSA-N 1 0 224.304 0.551 20 30 BCEDRO C=CCOCCCNC(=O)C1([NH3+])CCC1 ZINC000662664109 412263151 /nfs/dbraw/zinc/26/31/51/412263151.db2.gz OATUFGSRKBXMMC-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO C=CCCOCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662678186 412267001 /nfs/dbraw/zinc/26/70/01/412267001.db2.gz CBYHVBVUAUKXRJ-UHFFFAOYSA-N 1 0 224.304 0.529 20 30 BCEDRO C[NH2+]C(C)(C)CNc1cc(C#N)cnn1 ZINC000596176076 412289895 /nfs/dbraw/zinc/28/98/95/412289895.db2.gz ZUYNYFGNZAXODI-UHFFFAOYSA-N 1 0 205.265 0.758 20 30 BCEDRO N#Cc1nc(N[C@H]2CC[NH2+]C2)ccc1Cl ZINC000573936347 412280582 /nfs/dbraw/zinc/28/05/82/412280582.db2.gz ZZRHWEJHYBJIIJ-ZETCQYMHSA-N 1 0 222.679 1.380 20 30 BCEDRO C=CCOCCCC(=O)NCC12CC(C1)C[NH2+]2 ZINC000662717519 412281107 /nfs/dbraw/zinc/28/11/07/412281107.db2.gz DOBFJJWIMOQFKC-UHFFFAOYSA-N 1 0 238.331 0.837 20 30 BCEDRO Cc1[nH]nc(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)c1C#N ZINC000592947520 412281944 /nfs/dbraw/zinc/28/19/44/412281944.db2.gz MIOAYZYHNYDCCN-RKDXNWHRSA-N 1 0 247.302 0.869 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000662721345 412283757 /nfs/dbraw/zinc/28/37/57/412283757.db2.gz VBKXSIQBKJANSL-XSRFYTQQSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[C@]1(C(=O)NCc2ncc[nH]2)CCC[NH2+]1 ZINC000662731489 412287087 /nfs/dbraw/zinc/28/70/87/412287087.db2.gz DXHCXRUAKOGJFU-GFCCVEGCSA-N 1 0 234.303 0.724 20 30 BCEDRO C=CC[C@@]1(C(=O)N(C)[C@H]2CCOC2)CCC[NH2+]1 ZINC000662578851 412227237 /nfs/dbraw/zinc/22/72/37/412227237.db2.gz WRWLLGRMRHSGGT-AAEUAGOBSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[C@]1(C(=O)N(C)[C@H]2CCOC2)CCC[NH2+]1 ZINC000662578854 412227712 /nfs/dbraw/zinc/22/77/12/412227712.db2.gz WRWLLGRMRHSGGT-WCQYABFASA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662593685 412234152 /nfs/dbraw/zinc/23/41/52/412234152.db2.gz MUHBKETZDJMJBQ-VXGBXAGGSA-N 1 0 238.331 0.775 20 30 BCEDRO C=CC[C@]1(C(=O)N(C)CC[C@H](C)O)CCC[NH2+]1 ZINC000662611542 412240556 /nfs/dbraw/zinc/24/05/56/412240556.db2.gz AKIZIZRUGRSSIQ-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662626064 412245975 /nfs/dbraw/zinc/24/59/75/412245975.db2.gz GDMKGKZTRZKRAO-VIFPVBQESA-N 1 0 234.303 0.793 20 30 BCEDRO C=CC[C@]1(C(=O)NCCc2nnc[nH]2)CCC[NH2+]1 ZINC000662636079 412252378 /nfs/dbraw/zinc/25/23/78/412252378.db2.gz OLYLVRYMKQBAJZ-GFCCVEGCSA-N 1 0 249.318 0.162 20 30 BCEDRO CC(C)[C@@H](C(=O)Nc1n[nH]cc1C#N)[NH+](C)C ZINC000601640559 412309376 /nfs/dbraw/zinc/30/93/76/412309376.db2.gz ZJUZYXNWNRORFP-VIFPVBQESA-N 1 0 235.291 0.806 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@H]2CO[C@@H](C)C2)CCC[NH2+]1 ZINC000662822478 412312090 /nfs/dbraw/zinc/31/20/90/412312090.db2.gz AXYVGSSCINOGCH-DMDPSCGWSA-N 1 0 238.331 0.978 20 30 BCEDRO C=CCN(C(=O)[C@@H]([NH3+])CC)[C@H](C)COC ZINC000662853003 412323033 /nfs/dbraw/zinc/32/30/33/412323033.db2.gz BMZWLWLXMPUQDG-ZJUUUORDSA-N 1 0 214.309 0.773 20 30 BCEDRO C=CCN(C(=O)COCC[NH3+])[C@H](C)COC ZINC000662854386 412324082 /nfs/dbraw/zinc/32/40/82/412324082.db2.gz MQZRCMBBJMAVSB-SNVBAGLBSA-N 1 0 230.308 0.011 20 30 BCEDRO C=CC[C@H]1CCCN(C(=O)C2(O)C[NH2+]C2)C1 ZINC000662858179 412327200 /nfs/dbraw/zinc/32/72/00/412327200.db2.gz VTMOMRDFNCFBMM-JTQLQIEISA-N 1 0 224.304 0.135 20 30 BCEDRO C=CCC1(NC(=O)[C@H](C)[NH2+]C)CCOCC1 ZINC000662872869 412330436 /nfs/dbraw/zinc/33/04/36/412330436.db2.gz FFOZEPKEHSMNOV-JTQLQIEISA-N 1 0 226.320 0.836 20 30 BCEDRO C=C[C@H](O)C(=O)NCCC[NH+]1CCCC1 ZINC000665489509 412336445 /nfs/dbraw/zinc/33/64/45/412336445.db2.gz UUGAYSVPCBDHIH-JTQLQIEISA-N 1 0 212.293 0.135 20 30 BCEDRO C=CCOCCCC(=O)N[C@@H](C)C[NH2+]C ZINC000662963678 412356910 /nfs/dbraw/zinc/35/69/10/412356910.db2.gz RSONZLADXFKDMR-JTQLQIEISA-N 1 0 214.309 0.693 20 30 BCEDRO C=CCOc1cccnc1C(=O)N[C@H](C)C[NH2+]C ZINC000662968361 412359592 /nfs/dbraw/zinc/35/95/92/412359592.db2.gz VEMRPIAQTAEPQZ-SNVBAGLBSA-N 1 0 249.314 0.984 20 30 BCEDRO COCC[N@H+](C)CCCNc1ccc(C#N)nn1 ZINC000611239618 412365206 /nfs/dbraw/zinc/36/52/06/412365206.db2.gz UIVAZOCMJISESW-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO C=CC[C@@]1(C(=O)NCCn2cccn2)CCC[NH2+]1 ZINC000662788773 412302465 /nfs/dbraw/zinc/30/24/65/412302465.db2.gz UJPURTZCNRCHCU-ZDUSSCGKSA-N 1 0 248.330 0.698 20 30 BCEDRO CC[NH+](CC)CCNc1cc(C#N)ncn1 ZINC000390619617 412374512 /nfs/dbraw/zinc/37/45/12/412374512.db2.gz IBGLDEUGKDZEOC-UHFFFAOYSA-N 1 0 219.292 1.102 20 30 BCEDRO CCc1nn(CC[NH+](C)C)c(=O)c(C#N)c1CC ZINC000110147251 172045797 /nfs/dbraw/zinc/04/57/97/172045797.db2.gz AALCWISXTXQLGL-UHFFFAOYSA-N 1 0 248.330 0.801 20 30 BCEDRO CCc1nocc1C[NH2+]CCn1cnc(C#N)n1 ZINC000339394475 172099417 /nfs/dbraw/zinc/09/94/17/172099417.db2.gz SQEZLTRADSSGKS-UHFFFAOYSA-N 1 0 246.274 0.490 20 30 BCEDRO CCn1cc(C[NH+]=C(N(C)C)N(C)C)cn1 ZINC000262684652 172166632 /nfs/dbraw/zinc/16/66/32/172166632.db2.gz XYBBXLIDFNAHGH-UHFFFAOYSA-N 1 0 223.324 0.882 20 30 BCEDRO CN(C(=O)Nc1cccc(C#N)c1)C1C[NH2+]C1 ZINC000090289861 172323090 /nfs/dbraw/zinc/32/30/90/172323090.db2.gz UQUXMBZRIOKWIS-UHFFFAOYSA-N 1 0 230.271 0.994 20 30 BCEDRO CN(C(=O)c1ccc(C#N)cc1)[C@@H]1CC[NH2+]C1 ZINC000071310116 172338906 /nfs/dbraw/zinc/33/89/06/172338906.db2.gz HFAHGXWTMLQGCW-GFCCVEGCSA-N 1 0 229.283 0.992 20 30 BCEDRO CN(C)C(=O)C[NH2+]Cc1ccc(C#N)s1 ZINC000135495481 172370017 /nfs/dbraw/zinc/37/00/17/172370017.db2.gz WUVJECJBSMHDNH-UHFFFAOYSA-N 1 0 223.301 0.798 20 30 BCEDRO C[NH+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC000175004974 172460336 /nfs/dbraw/zinc/46/03/36/172460336.db2.gz PWQCIVXZOPQIDI-UHFFFAOYSA-N 1 0 206.249 0.178 20 30 BCEDRO C[NH+](C)C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC000332698857 172496015 /nfs/dbraw/zinc/49/60/15/172496015.db2.gz LXXXJUYAEAKVQS-SNVBAGLBSA-N 1 0 246.314 0.910 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000336246492 173030047 /nfs/dbraw/zinc/03/00/47/173030047.db2.gz QCNACMBIUIZKMB-LLVKDONJSA-N 1 0 246.314 0.721 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNc1cnc(C#N)cn1 ZINC000122343557 173032522 /nfs/dbraw/zinc/03/25/22/173032522.db2.gz PZOMOKKOVZDZRG-SNVBAGLBSA-N 1 0 217.276 0.854 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1cc(C#N)c[nH]1 ZINC000175442460 173056184 /nfs/dbraw/zinc/05/61/84/173056184.db2.gz CTLOKPJOXFKOOV-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000181253069 173056814 /nfs/dbraw/zinc/05/68/14/173056814.db2.gz YUIZIKAQQYZDHQ-NSHDSACASA-N 1 0 232.287 0.710 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNc1ccc(C#N)nc1 ZINC000226800432 173077471 /nfs/dbraw/zinc/07/74/71/173077471.db2.gz NVRLWLDHMHMDIO-ZDUSSCGKSA-N 1 0 245.330 0.611 20 30 BCEDRO C[NH+]1CCN(CCNc2ncccc2C#N)CC1 ZINC000037497034 173081623 /nfs/dbraw/zinc/08/16/23/173081623.db2.gz HQSKFWDGMMLFIJ-UHFFFAOYSA-N 1 0 245.330 0.613 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNc2cnc(C#N)cn2)C1 ZINC000070581233 173116813 /nfs/dbraw/zinc/11/68/13/173116813.db2.gz VHXCGHMPFDQQNA-VIFPVBQESA-N 1 0 217.276 0.712 20 30 BCEDRO C[N@@H+]1CC[C@@](O)(CNc2cccc(C#N)n2)C1 ZINC000357613105 173139432 /nfs/dbraw/zinc/13/94/32/173139432.db2.gz XNJSMKYTVYKVMW-GFCCVEGCSA-N 1 0 232.287 0.432 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3cnc(C#N)cn3)[C@@H]2C1 ZINC000274783023 173161507 /nfs/dbraw/zinc/16/15/07/173161507.db2.gz WQMRRSDLICELAR-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@](O)(CNCc2ccc(C#N)cc2)C1 ZINC000358134494 173165606 /nfs/dbraw/zinc/16/56/06/173165606.db2.gz JKNDTIXFBJDDRS-AWEZNQCLSA-N 1 0 245.326 0.714 20 30 BCEDRO CN1C[C@H]([NH2+]Cc2cc(C#N)cs2)CC1=O ZINC000309427403 173194759 /nfs/dbraw/zinc/19/47/59/173194759.db2.gz XHYPFWPYNYZLGK-SECBINFHSA-N 1 0 235.312 0.940 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3cnc(C#N)cn3)C[C@H]2C1 ZINC000302854555 173199538 /nfs/dbraw/zinc/19/95/38/173199538.db2.gz KLUMDHVSPDRJRD-AOOOYVTPSA-N 1 0 229.287 0.346 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1ccc(C#N)o1 ZINC000093899022 173301450 /nfs/dbraw/zinc/30/14/50/173301450.db2.gz ASEVLZZMXOCHJV-SECBINFHSA-N 1 0 235.287 0.965 20 30 BCEDRO CNC(=O)[C@H](C)[NH2+]Cc1cccc(C#N)c1 ZINC000037749368 173303252 /nfs/dbraw/zinc/30/32/52/173303252.db2.gz NNBAVINOWWRQMI-VIFPVBQESA-N 1 0 217.272 0.782 20 30 BCEDRO COCC[N@H+](C)CCCNc1cnc(C#N)cn1 ZINC000121482711 174275514 /nfs/dbraw/zinc/27/55/14/174275514.db2.gz QZKAFOQFQLLCDY-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO COCC[N@H+](C)CCNc1ccc(C#N)cn1 ZINC000061379709 174279492 /nfs/dbraw/zinc/27/94/92/174279492.db2.gz DMTFLZPVCKJHNL-UHFFFAOYSA-N 1 0 234.303 0.943 20 30 BCEDRO COCC[N@H+](CCO)Cc1ccc(C#N)cc1 ZINC000134303716 174293474 /nfs/dbraw/zinc/29/34/74/174293474.db2.gz ZRJSRUFFTWFMLU-UHFFFAOYSA-N 1 0 234.299 0.999 20 30 BCEDRO C[C@@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278757444 176016865 /nfs/dbraw/zinc/01/68/65/176016865.db2.gz MKVHEMKKUGJESV-TVYUQYBPSA-N 1 0 232.283 0.657 20 30 BCEDRO C[C@@H]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000285406767 176213490 /nfs/dbraw/zinc/21/34/90/176213490.db2.gz FPUMFDGHOXRQKL-NXEZZACHSA-N 1 0 219.292 0.928 20 30 BCEDRO C[C@@H]1CN(c2nccc(C#N)n2)C[C@H]1[NH+](C)C ZINC000297592308 176320851 /nfs/dbraw/zinc/32/08/51/176320851.db2.gz UGWYBAJFXIYIGP-MWLCHTKSSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)[C@@H]1C ZINC000336779547 176376104 /nfs/dbraw/zinc/37/61/04/176376104.db2.gz OQDKRJVVCZSDJP-OPRDCNLKSA-N 1 0 219.292 0.784 20 30 BCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)C1CC1 ZINC000285571915 176856037 /nfs/dbraw/zinc/85/60/37/176856037.db2.gz SNMAUFRZCJOUGA-QMMMGPOBSA-N 1 0 205.265 0.538 20 30 BCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)[C@H]1CCCO1 ZINC000353945785 176856290 /nfs/dbraw/zinc/85/62/90/176856290.db2.gz CJCVVORSHNHBPQ-VHSXEESVSA-N 1 0 235.291 0.307 20 30 BCEDRO C[C@H]1CC[C@@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000285406776 177193382 /nfs/dbraw/zinc/19/33/82/177193382.db2.gz FPUMFDGHOXRQKL-VHSXEESVSA-N 1 0 219.292 0.928 20 30 BCEDRO C[C@H]1CN(c2ccc(C#N)cn2)CC[N@@H+]1CCO ZINC000302453610 177276171 /nfs/dbraw/zinc/27/61/71/177276171.db2.gz SPHGZDMPZXGAOK-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H]2COC3(CCCC3)O2)N1 ZINC000262669169 177279382 /nfs/dbraw/zinc/27/93/82/177279382.db2.gz QENVRSFVAYYXLT-VHSXEESVSA-N 1 0 239.319 0.609 20 30 BCEDRO C[C@H]1C[C@@H]1C[NH2+]CCn1cnc(C#N)n1 ZINC000309089661 177345907 /nfs/dbraw/zinc/34/59/07/177345907.db2.gz APUDBDSYBZFVBG-DTWKUNHWSA-N 1 0 205.265 0.395 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)NCC1(CC#N)CC1 ZINC000487590718 225318079 /nfs/dbraw/zinc/31/80/79/225318079.db2.gz XXOHJCSORRQYGZ-GHMZBOCLSA-N 1 0 235.331 0.994 20 30 BCEDRO N#Cc1ccc(C[NH+]2CCC(C(N)=O)CC2)o1 ZINC000505853277 226360506 /nfs/dbraw/zinc/36/05/06/226360506.db2.gz JXBXSZVVMCYPKP-UHFFFAOYSA-N 1 0 233.271 0.849 20 30 BCEDRO C#CCN(C)CC(=O)N1CCCC[C@@H]1C ZINC000298400309 487675618 /nfs/dbraw/zinc/67/56/18/487675618.db2.gz FABYZLIIGFYQSZ-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCO[C@]2(CCOC2)C1 ZINC000681098775 487722156 /nfs/dbraw/zinc/72/21/56/487722156.db2.gz DOVKARFNYYKZHO-VXGBXAGGSA-N 1 0 227.304 0.415 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000304250889 487746292 /nfs/dbraw/zinc/74/62/92/487746292.db2.gz QXSPIAHLUJVHCR-GHMZBOCLSA-N 1 0 226.320 0.823 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000668443285 487761389 /nfs/dbraw/zinc/76/13/89/487761389.db2.gz YIHRCIWQRUPSQX-NEPJUHHUSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[NH+]1CCCCCC1 ZINC000666249007 487769931 /nfs/dbraw/zinc/76/99/31/487769931.db2.gz QJVHCDXBRBZHHP-CYBMUJFWSA-N 1 0 240.347 0.916 20 30 BCEDRO C#CC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000753981587 585274283 /nfs/dbraw/zinc/27/42/83/585274283.db2.gz VNKRAXFDJLTNAO-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCCC[N@@H+](C)C(C)C ZINC000666312531 487784605 /nfs/dbraw/zinc/78/46/05/487784605.db2.gz XQGQQGFEFIYYBH-LBPRGKRZSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCC[N@@H+](C)C(C)C ZINC000666312966 487784403 /nfs/dbraw/zinc/78/44/03/487784403.db2.gz CBCNDDRYKUZIQG-SNVBAGLBSA-N 1 0 214.309 0.380 20 30 BCEDRO COCC#CC[N@H+](C)[C@@H](CO)CC(C)C ZINC000681466186 487799051 /nfs/dbraw/zinc/79/90/51/487799051.db2.gz RBKUYGVZDQQJPQ-GFCCVEGCSA-N 1 0 213.321 0.975 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000668476946 487803326 /nfs/dbraw/zinc/80/33/26/487803326.db2.gz QHLJYFPCUQUOIU-JTQLQIEISA-N 1 0 212.293 0.086 20 30 BCEDRO C=C(CC)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000313495017 487806403 /nfs/dbraw/zinc/80/64/03/487806403.db2.gz VWCQEXZEVQBQIO-NSHDSACASA-N 1 0 209.293 0.800 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000666451894 487813323 /nfs/dbraw/zinc/81/33/23/487813323.db2.gz QTWXPUJORFPDCJ-WZRBSPASSA-N 1 0 238.331 0.666 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000569337738 322943608 /nfs/dbraw/zinc/94/36/08/322943608.db2.gz RHOGBMWRIWLSBE-LPEHRKFASA-N 1 0 226.324 0.913 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000681606550 487824806 /nfs/dbraw/zinc/82/48/06/487824806.db2.gz QQRMBOOLTXZLCK-QWRGUYRKSA-N 1 0 222.292 0.462 20 30 BCEDRO C#CC[NH+]1CCC([C@@H]2NC(=O)C2(C)C)CC1 ZINC000491771906 526935769 /nfs/dbraw/zinc/93/57/69/526935769.db2.gz RRPRHEVQHPUDJS-NSHDSACASA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](OC)C1(C)C ZINC000300404212 527029877 /nfs/dbraw/zinc/02/98/77/527029877.db2.gz HIMSHGATKFLOOK-DCAQKATOSA-N 1 0 238.331 0.527 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000666527834 487828382 /nfs/dbraw/zinc/82/83/82/487828382.db2.gz DPWIJEFWGQPIGO-LBPRGKRZSA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@@H]1CC[C@@H]1[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000564869439 322945208 /nfs/dbraw/zinc/94/52/08/322945208.db2.gz XEQXPBAXUOCWDU-UTUOFQBUSA-N 1 0 225.336 0.581 20 30 BCEDRO C[C@H]1CN(C)CC1=NNCC(C)(C)CO ZINC000799117027 586155557 /nfs/dbraw/zinc/15/55/57/586155557.db2.gz NJPCOOOVXJFLBV-VIFPVBQESA-N 1 0 213.325 0.532 20 30 BCEDRO CON=CC(=O)N[C@H](C)C[N@H+](C)C(C)C ZINC000812310467 586573256 /nfs/dbraw/zinc/57/32/56/586573256.db2.gz YAORSJXQSBFVIC-SECBINFHSA-N 1 0 215.297 0.464 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000313069389 322946951 /nfs/dbraw/zinc/94/69/51/322946951.db2.gz RWGIRCDHHBSHME-VHSXEESVSA-N 1 0 226.320 0.692 20 30 BCEDRO C#CCOCCN(C)C[C@H]1CCC[N@@H+]1C ZINC000844315304 588183218 /nfs/dbraw/zinc/18/32/18/588183218.db2.gz YNWOFBGSEBNAPJ-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000876940718 590259476 /nfs/dbraw/zinc/25/94/76/590259476.db2.gz ZIUNXYOMTNKGTO-VGMNWLOBSA-N 1 0 232.711 0.750 20 30 BCEDRO C#C[C@H](C)[NH2+]C1CCN(C(=O)CC)CC1 ZINC000309050342 631825903 /nfs/dbraw/zinc/82/59/03/631825903.db2.gz QTNFXPLOKZLRAS-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)[C@@H](C)O ZINC000930650782 639845275 /nfs/dbraw/zinc/84/52/75/639845275.db2.gz QREHXRHTBMBUGE-DBIOUOCHSA-N 1 0 215.293 0.051 20 30 BCEDRO C=CCC[C@H](C)[NH2+][C@H]1CS(=O)(=O)C[C@@H]1OC ZINC000668507616 487863397 /nfs/dbraw/zinc/86/33/97/487863397.db2.gz PNYPMUIOXLWCEU-DCAQKATOSA-N 1 0 247.360 0.743 20 30 BCEDRO C=CCC[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC000234732449 487869173 /nfs/dbraw/zinc/86/91/73/487869173.db2.gz KMQPLFQUTHJWKH-QWRGUYRKSA-N 1 0 217.309 0.565 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H](C)C[NH+]1CCCC1 ZINC000666756332 487873117 /nfs/dbraw/zinc/87/31/17/487873117.db2.gz QODODQIAUAMOHH-AAEUAGOBSA-N 1 0 240.347 0.772 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000595623208 487873350 /nfs/dbraw/zinc/87/33/50/487873350.db2.gz JWYZPIAHOXGTCD-MNOVXSKESA-N 1 0 221.304 0.748 20 30 BCEDRO C=CCC[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682036096 487886954 /nfs/dbraw/zinc/88/69/54/487886954.db2.gz YYBQZASYMMEDIE-UHFFFAOYSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CCC[NH2+]C[C@@H](O)COCCOC ZINC000234891609 487887557 /nfs/dbraw/zinc/88/75/57/487887557.db2.gz RPBJEUPQUYMNCG-SNVBAGLBSA-N 1 0 203.282 0.176 20 30 BCEDRO C=CCN(C(=O)N[C@H](C)[C@H](C)[NH3+])[C@@H](C)COC ZINC000659547900 487892025 /nfs/dbraw/zinc/89/20/25/487892025.db2.gz FQPKRLWOTKQJAW-GARJFASQSA-N 1 0 243.351 0.955 20 30 BCEDRO CCOCC[NH+]1CCN(CC#CCOC)CC1 ZINC000677133217 487892791 /nfs/dbraw/zinc/89/27/91/487892791.db2.gz NKFWXDSKMMMSDK-UHFFFAOYSA-N 1 0 240.347 0.290 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000667000811 487926149 /nfs/dbraw/zinc/92/61/49/487926149.db2.gz PKYOREYMSWXJLQ-LBPRGKRZSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)C1CC[NH+](CCC)CC1 ZINC000667000810 487926162 /nfs/dbraw/zinc/92/61/62/487926162.db2.gz PKYOREYMSWXJLQ-GFCCVEGCSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676887759 487941939 /nfs/dbraw/zinc/94/19/39/487941939.db2.gz LAFRSMMCIDKJOT-VHSXEESVSA-N 1 0 212.293 0.121 20 30 BCEDRO C[C@H](Oc1ccc(C#N)cc1)C(=O)NCC[NH3+] ZINC000561935017 323008841 /nfs/dbraw/zinc/00/88/41/323008841.db2.gz SWTLZUJJKNKQTG-VIFPVBQESA-N 1 0 233.271 0.400 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000320627837 323010981 /nfs/dbraw/zinc/01/09/81/323010981.db2.gz JRTAYJYXGZXEEJ-JHJVBQTASA-N 1 0 242.363 0.670 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC([NH+](C)C)C1 ZINC000158481172 323015124 /nfs/dbraw/zinc/01/51/24/323015124.db2.gz LVDWAHZHVJRUKA-SNVBAGLBSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCCC[NH2+]CC ZINC000562812285 323031363 /nfs/dbraw/zinc/03/13/63/323031363.db2.gz FXISSXVITKPYPU-JTQLQIEISA-N 1 0 229.324 0.222 20 30 BCEDRO C=CCN(C)C(=O)COC1CCC([NH3+])CC1 ZINC000570160151 323051368 /nfs/dbraw/zinc/05/13/68/323051368.db2.gz ZVVBPNKHEIANSZ-UHFFFAOYSA-N 1 0 226.320 0.917 20 30 BCEDRO CC#CCNC(=O)NCC1CC[NH2+]CC1 ZINC000570428194 323059181 /nfs/dbraw/zinc/05/91/81/323059181.db2.gz NBJOMSVBXASXBC-UHFFFAOYSA-N 1 0 209.293 0.309 20 30 BCEDRO C[N@H+](CCC(N)=O)Cc1ccc(C#N)cn1 ZINC000570824561 323071827 /nfs/dbraw/zinc/07/18/27/323071827.db2.gz RUULHKPJDFBETG-UHFFFAOYSA-N 1 0 218.260 0.260 20 30 BCEDRO C#CCN(CC1CCC1)[C@@H]1CCS(=O)(=O)C1 ZINC000490839105 323075595 /nfs/dbraw/zinc/07/55/95/323075595.db2.gz GFYZPDJZWSQHLL-GFCCVEGCSA-N 1 0 241.356 0.909 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCOCC2(CC2)C1 ZINC000491121349 323077112 /nfs/dbraw/zinc/07/71/12/323077112.db2.gz QGHRHOWXPSPSMN-UHFFFAOYSA-N 1 0 236.315 0.238 20 30 BCEDRO C=C(CC)C[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000313495677 323091907 /nfs/dbraw/zinc/09/19/07/323091907.db2.gz YCDPNAFJXHGCCK-GFCCVEGCSA-N 1 0 212.337 0.997 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@H]([NH2+]C)C2)C1=O ZINC000563153409 323095888 /nfs/dbraw/zinc/09/58/88/323095888.db2.gz PNEDCSLRCNYXDA-WDEREUQCSA-N 1 0 223.320 0.067 20 30 BCEDRO Cn1ccc(C(=O)NC2(C#N)CC[NH+](C)CC2)c1 ZINC000531657012 323111176 /nfs/dbraw/zinc/11/11/76/323111176.db2.gz MFSMUDNWUDJSEV-UHFFFAOYSA-N 1 0 246.314 0.743 20 30 BCEDRO N#CC1(C(=O)N[C@H]2CCC[NH2+]C2)CCCC1 ZINC000563339867 323119219 /nfs/dbraw/zinc/11/92/19/323119219.db2.gz ULZNONCFJWYUSM-JTQLQIEISA-N 1 0 221.304 0.939 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000563604550 323131345 /nfs/dbraw/zinc/13/13/45/323131345.db2.gz WHNKKSQDHZTOLL-VWYCJHECSA-N 1 0 239.319 0.366 20 30 BCEDRO CCC[NH2+]CCNC(=O)NCC1(C#N)CC1 ZINC000571304020 323140903 /nfs/dbraw/zinc/14/09/03/323140903.db2.gz QJSFNOFVPHDTJF-UHFFFAOYSA-N 1 0 224.308 0.589 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@](C)(COC)C1 ZINC000451195356 323142742 /nfs/dbraw/zinc/14/27/42/323142742.db2.gz UKXXMWOCWIMTJL-LBPRGKRZSA-N 1 0 226.320 0.647 20 30 BCEDRO N#CCNC(=O)C[N@H+](CC1CC1)C1CCC1 ZINC000571376294 323142881 /nfs/dbraw/zinc/14/28/81/323142881.db2.gz LQISTBQIKQDAFT-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C#CC[N@@H+](CC(=O)NC(N)=O)C1CCCCC1 ZINC000049442258 323160781 /nfs/dbraw/zinc/16/07/81/323160781.db2.gz DBXLANDUNPKTTC-UHFFFAOYSA-N 1 0 237.303 0.449 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000320666471 323182932 /nfs/dbraw/zinc/18/29/32/323182932.db2.gz RMUSPVJGTJZYOA-AAEUAGOBSA-N 1 0 242.363 0.358 20 30 BCEDRO C=C(C)COCCNC(=O)N1CCC[NH2+]CC1 ZINC000417881112 323186767 /nfs/dbraw/zinc/18/67/67/323186767.db2.gz DOFJFCSCWWSKCH-UHFFFAOYSA-N 1 0 241.335 0.584 20 30 BCEDRO C=C(C)COCCNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000417881190 323186806 /nfs/dbraw/zinc/18/68/06/323186806.db2.gz DVLNULFQGNOJRN-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000398868424 323194246 /nfs/dbraw/zinc/19/42/46/323194246.db2.gz XZFJSJFBVCMIHI-GRYCIOLGSA-N 1 0 240.347 0.627 20 30 BCEDRO C#CC[N@H+](C)CCN1C(=O)c2ccccc2C1=O ZINC000034745550 323203714 /nfs/dbraw/zinc/20/37/14/323203714.db2.gz USSXAPFJKKEKTQ-UHFFFAOYSA-N 1 0 242.278 0.848 20 30 BCEDRO C#CCNC(=O)[C@@H](C)NC1CC[NH+](CC)CC1 ZINC000395740208 323240265 /nfs/dbraw/zinc/24/02/65/323240265.db2.gz UIMKZTXJVKAYJQ-LLVKDONJSA-N 1 0 237.347 0.198 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N(C)Cc1ccco1 ZINC000030978523 323346103 /nfs/dbraw/zinc/34/61/03/323346103.db2.gz CESHXTLCKWWHSO-SNVBAGLBSA-N 1 0 220.272 0.849 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(=O)[nH]c1 ZINC000392839316 323387213 /nfs/dbraw/zinc/38/72/13/323387213.db2.gz XLJRWAODTMGZGL-UHFFFAOYSA-N 1 0 247.298 0.472 20 30 BCEDRO C[C@H](C[C@H](C)[NH3+])Nc1nccc(C#N)n1 ZINC000320593063 323574535 /nfs/dbraw/zinc/57/45/35/323574535.db2.gz WBLNYWIYUJZQJT-JGVFFNPUSA-N 1 0 205.265 0.886 20 30 BCEDRO C#CCNC(=O)[C@@]1([NH3+])C[C@@H](OCC)C1(C)C ZINC000162522381 323623853 /nfs/dbraw/zinc/62/38/53/323623853.db2.gz JYFWBXNVIPKJIQ-SKDRFNHKSA-N 1 0 224.304 0.268 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000302378603 487959113 /nfs/dbraw/zinc/95/91/13/487959113.db2.gz LRJCZDNVBVHLGP-LLVKDONJSA-N 1 0 238.331 0.695 20 30 BCEDRO C=CCCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000659562754 487960506 /nfs/dbraw/zinc/96/05/06/487960506.db2.gz MEILYZCIEPNIHM-AOOOYVTPSA-N 1 0 209.293 0.423 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[NH2+]CC)C(C)C ZINC000491305848 324155888 /nfs/dbraw/zinc/15/58/88/324155888.db2.gz KKGBNDUTTRQCPY-SNVBAGLBSA-N 1 0 211.309 0.553 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)CCSC ZINC000152570037 324187452 /nfs/dbraw/zinc/18/74/52/324187452.db2.gz AIFNCKSOPNMFJZ-VIFPVBQESA-N 1 0 214.334 0.419 20 30 BCEDRO C=CCONC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000529332981 324275320 /nfs/dbraw/zinc/27/53/20/324275320.db2.gz UDMGTABQYAZZSF-JTQLQIEISA-N 1 0 227.308 0.743 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000125305979 324637932 /nfs/dbraw/zinc/63/79/32/324637932.db2.gz LQASKKQKMXQKHT-WDEREUQCSA-N 1 0 238.331 0.529 20 30 BCEDRO C=CCCC(=O)NCCOCC[NH+](C)C ZINC000540880922 324924237 /nfs/dbraw/zinc/92/42/37/324924237.db2.gz MGNZYUYXQYIROK-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000541947508 325000163 /nfs/dbraw/zinc/00/01/63/325000163.db2.gz HGTXDTMOEOBSOV-UWVGGRQHSA-N 1 0 236.319 0.682 20 30 BCEDRO C#CCN(CC)[C@H]1CCS(=O)(=O)C1 ZINC000071015834 325050469 /nfs/dbraw/zinc/05/04/69/325050469.db2.gz LHEGIZYEFPQAOB-VIFPVBQESA-N 1 0 201.291 0.129 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000131001198 325106650 /nfs/dbraw/zinc/10/66/50/325106650.db2.gz WHYSWKOSMXLSLF-GFCCVEGCSA-N 1 0 237.347 0.897 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CC[N@@H+](CC(C)C)C1 ZINC000131001420 325106698 /nfs/dbraw/zinc/10/66/98/325106698.db2.gz WHYSWKOSMXLSLF-LBPRGKRZSA-N 1 0 237.347 0.897 20 30 BCEDRO N#CCC1CC[NH+](C[C@@H](O)Cn2cccn2)CC1 ZINC000543811725 325115287 /nfs/dbraw/zinc/11/52/87/325115287.db2.gz WFKLINIYXMFFSQ-CYBMUJFWSA-N 1 0 248.330 0.870 20 30 BCEDRO C=CCN(C(=O)[C@@H]1CC[C@H](C[NH3+])O1)C1CC1 ZINC000131274973 325133440 /nfs/dbraw/zinc/13/34/40/325133440.db2.gz SWPOTQITZOHAAE-MNOVXSKESA-N 1 0 224.304 0.670 20 30 BCEDRO C=C(C)CN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000075957425 325323096 /nfs/dbraw/zinc/32/30/96/325323096.db2.gz GGDAWUJLCSAYSO-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NCCC[NH+](C)C ZINC000081555940 325505520 /nfs/dbraw/zinc/50/55/20/325505520.db2.gz MGEWKMNLDIAQOM-UHFFFAOYSA-N 1 0 234.303 0.578 20 30 BCEDRO C[NH+](C)Cc1ccc(C(=O)NC2(C#N)CC2)cn1 ZINC000550158404 325525067 /nfs/dbraw/zinc/52/50/67/325525067.db2.gz VBSQGKDDCYFRAP-UHFFFAOYSA-N 1 0 244.298 0.929 20 30 BCEDRO C=CCCC(=O)N[C@H](C)C(=O)NCC[NH+](C)C ZINC000552082649 325594783 /nfs/dbraw/zinc/59/47/83/325594783.db2.gz ZHKAJFQTUKLDED-SNVBAGLBSA-N 1 0 241.335 0.135 20 30 BCEDRO N#Cc1cnn2c1NC[C@@H](C[NH2+]C1CCC1)C2 ZINC000553425785 325689620 /nfs/dbraw/zinc/68/96/20/325689620.db2.gz ZLFRZEROWKKBRJ-SECBINFHSA-N 1 0 231.303 0.939 20 30 BCEDRO C=CCN1CC[C@H](NCC2([NH3+])CCC2)C1=O ZINC000564656810 325801239 /nfs/dbraw/zinc/80/12/39/325801239.db2.gz KELKTSUPEKUENH-JTQLQIEISA-N 1 0 223.320 0.244 20 30 BCEDRO CS(=O)(=O)NC[C@H]1CCC[C@@H]1[NH2+]CCC#N ZINC000566129239 326000634 /nfs/dbraw/zinc/00/06/34/326000634.db2.gz AZERMRSNZFUENO-ZJUUUORDSA-N 1 0 245.348 0.208 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C)CCC[NH3+] ZINC000566737987 326078578 /nfs/dbraw/zinc/07/85/78/326078578.db2.gz LNTWLHQMJSTXPQ-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N1CC[NH2+]CC1 ZINC000566845597 326087261 /nfs/dbraw/zinc/08/72/61/326087261.db2.gz QRCCWYCOULYITJ-MNOVXSKESA-N 1 0 239.319 0.335 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)N1CCC(O)(C[NH3+])CC1 ZINC000567284135 326155771 /nfs/dbraw/zinc/15/57/71/326155771.db2.gz GQCKJPQWGAFSTB-LLVKDONJSA-N 1 0 240.347 0.901 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000418032359 487971837 /nfs/dbraw/zinc/97/18/37/487971837.db2.gz PYWVIKOZIFMDQO-WDEREUQCSA-N 1 0 223.320 0.969 20 30 BCEDRO CNC(=O)CCC[N@H+](C)C[C@@H](C#N)CCC#N ZINC000155360712 326193556 /nfs/dbraw/zinc/19/35/56/326193556.db2.gz BLYXWVOYTSIUIA-LLVKDONJSA-N 1 0 236.319 0.888 20 30 BCEDRO C=CCN1CCC[C@H](C(=O)OC)[C@H]1C(=O)OC ZINC000156211272 326222795 /nfs/dbraw/zinc/22/27/95/326222795.db2.gz QAKFEYWBEDDTMR-UWVGGRQHSA-N 1 0 241.287 0.599 20 30 BCEDRO C=C(C)CNC(=O)N1C[C@@H]2[C@H](C1)OCCN2C ZINC000156274560 326225817 /nfs/dbraw/zinc/22/58/17/326225817.db2.gz ZVHAGCVWWVONLL-MNOVXSKESA-N 1 0 239.319 0.287 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000567598315 326225961 /nfs/dbraw/zinc/22/59/61/326225961.db2.gz BBOSDMJVZMMTFN-VXGBXAGGSA-N 1 0 239.363 0.609 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000156426575 326232971 /nfs/dbraw/zinc/23/29/71/326232971.db2.gz OQZAJWXNNKAYFC-LBPRGKRZSA-N 1 0 208.305 0.810 20 30 BCEDRO N#CCC[C@@H](C#N)C[NH2+][C@@H]1CCC[C@H]1O ZINC000567873298 326274358 /nfs/dbraw/zinc/27/43/58/326274358.db2.gz RKFVEDGDWQBTOH-HBNTYKKESA-N 1 0 207.277 0.933 20 30 BCEDRO C[NH2+]CCNC(=O)c1ccc(C#N)c(C)n1 ZINC000567909242 326281451 /nfs/dbraw/zinc/28/14/51/326281451.db2.gz MDZAGXZFCQVFBH-UHFFFAOYSA-N 1 0 218.260 0.211 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cn[nH]c1 ZINC000274136938 326283884 /nfs/dbraw/zinc/28/38/84/326283884.db2.gz WTNBYJZJWDQSDG-BDAKNGLRSA-N 1 0 220.276 0.198 20 30 BCEDRO COC[C@@](C)(C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000568104987 326309061 /nfs/dbraw/zinc/30/90/61/326309061.db2.gz KYGNRQZBKUTYDK-ZYHUDNBSSA-N 1 0 239.319 0.373 20 30 BCEDRO C=CCn1cc(CN[C@H](C)[C@H]2CCC[NH2+]2)nn1 ZINC000568382257 326351955 /nfs/dbraw/zinc/35/19/55/326351955.db2.gz VCMBZPCLFYRTBZ-ZYHUDNBSSA-N 1 0 235.335 0.694 20 30 BCEDRO C=CCCCC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000569315748 326399847 /nfs/dbraw/zinc/39/98/47/326399847.db2.gz KLPGZZZUBWALRK-SNVBAGLBSA-N 1 0 237.303 0.579 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000572870548 326416348 /nfs/dbraw/zinc/41/63/48/326416348.db2.gz UPRCIIWROGVGMA-SNVBAGLBSA-N 1 0 235.349 0.602 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000682537501 487980998 /nfs/dbraw/zinc/98/09/98/487980998.db2.gz AKUIICIECKBXSG-BJDJZHNGSA-N 1 0 238.331 0.509 20 30 BCEDRO C=CCCOCC(=O)N1CC[NH+]2CCC1CC2 ZINC000682567432 487990052 /nfs/dbraw/zinc/99/00/52/487990052.db2.gz IJASCQOQIWIHQI-UHFFFAOYSA-N 1 0 238.331 0.886 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000667377186 487990143 /nfs/dbraw/zinc/99/01/43/487990143.db2.gz MWQHNQYAJNQYOM-YPMHNXCESA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCOCC[NH2+][C@H](CC)Cn1cncn1 ZINC000309590318 487990572 /nfs/dbraw/zinc/99/05/72/487990572.db2.gz UOMVQLJSXOULQW-LLVKDONJSA-N 1 0 224.308 0.849 20 30 BCEDRO C=CCOCC(=O)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000677176905 487991319 /nfs/dbraw/zinc/99/13/19/487991319.db2.gz SLPKEYHHEOQJGW-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000655161012 488005776 /nfs/dbraw/zinc/00/57/76/488005776.db2.gz QVYLUTSLDIZYMR-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000669119848 488007458 /nfs/dbraw/zinc/00/74/58/488007458.db2.gz JJDUNWOULOUUSG-VWYCJHECSA-N 1 0 226.320 0.332 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000295503856 488028344 /nfs/dbraw/zinc/02/83/44/488028344.db2.gz OCQQBYSUSOUAPK-VHSXEESVSA-N 1 0 212.293 0.091 20 30 BCEDRO C#CCC[NH+]1CCC(C(=O)NCC#C)CC1 ZINC000491068683 488029800 /nfs/dbraw/zinc/02/98/00/488029800.db2.gz PVQTZTILKQWWHX-UHFFFAOYSA-N 1 0 218.300 0.471 20 30 BCEDRO C=CCCCCCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000656022389 488031649 /nfs/dbraw/zinc/03/16/49/488031649.db2.gz YAKRHMXMGPDJAJ-JTQLQIEISA-N 1 0 241.335 0.312 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOCCC=C ZINC000491678432 488036322 /nfs/dbraw/zinc/03/63/22/488036322.db2.gz BIDYADKDGOTQAC-UHFFFAOYSA-N 1 0 224.304 0.308 20 30 BCEDRO N#CC1(CNC(=O)CCn2ccnc2)CC1 ZINC000619545330 488041408 /nfs/dbraw/zinc/04/14/08/488041408.db2.gz OOUFRCZNZJPLMJ-UHFFFAOYSA-N 1 0 218.260 0.693 20 30 BCEDRO C=CCCOCCNC(=O)NCCC[NH+](C)C ZINC000677472428 488044459 /nfs/dbraw/zinc/04/44/59/488044459.db2.gz RFQBDXDJMSQDIU-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=CCOCCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000659595147 488046494 /nfs/dbraw/zinc/04/64/94/488046494.db2.gz ADAACHJGUULVPZ-LLVKDONJSA-N 1 0 241.335 0.712 20 30 BCEDRO C[N@H+](Cc1ccc(C#N)cc1)CC(C)(CO)CO ZINC000305127034 488052606 /nfs/dbraw/zinc/05/26/06/488052606.db2.gz PDZLAYPPDQJKJO-UHFFFAOYSA-N 1 0 248.326 0.981 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@H](C)[NH+](C)C ZINC000682970707 488074426 /nfs/dbraw/zinc/07/44/26/488074426.db2.gz UEMXHQNEGWVQGE-JTQLQIEISA-N 1 0 214.309 0.598 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000236654738 488081109 /nfs/dbraw/zinc/08/11/09/488081109.db2.gz RPURTNYOBAOZGY-JTQLQIEISA-N 1 0 232.349 0.624 20 30 BCEDRO C=C(C)[C@@H](CO)N1CC[NH+](CC(C)(C)O)CC1 ZINC000677478351 488104961 /nfs/dbraw/zinc/10/49/61/488104961.db2.gz VREGGYSXMAAJKH-GFCCVEGCSA-N 1 0 242.363 0.312 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000683096877 488107223 /nfs/dbraw/zinc/10/72/23/488107223.db2.gz BOELNEHXDLEWNX-GARJFASQSA-N 1 0 215.293 0.269 20 30 BCEDRO C=C[C@H](O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000667770526 488116192 /nfs/dbraw/zinc/11/61/92/488116192.db2.gz AIARCTPLIHNIGN-NSHDSACASA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)CC[C@@H]1CCCC[N@@H+]1C ZINC000669249421 488126679 /nfs/dbraw/zinc/12/66/79/488126679.db2.gz KUMMVTIHDOSLRZ-NWDGAFQWSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@H](C[N@@H+](C)CCC)C1 ZINC000669345033 487537513 /nfs/dbraw/zinc/53/75/13/487537513.db2.gz DLPYNNFRXUXRFW-VXGBXAGGSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C1CCN(C(=O)C[C@@H](C[NH3+])OC)CC1 ZINC000382549247 487544832 /nfs/dbraw/zinc/54/48/32/487544832.db2.gz CJSMHVFFZWIGJZ-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000669359871 487552025 /nfs/dbraw/zinc/55/20/25/487552025.db2.gz WYWDNDYOKJCUHU-YPMHNXCESA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H](C[NH+](CC)CC)C1 ZINC000669338260 487531294 /nfs/dbraw/zinc/53/12/94/487531294.db2.gz DUBGYEHUGPJMNG-RYUDHWBXSA-N 1 0 240.347 0.724 20 30 BCEDRO C=CCCNC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000161967371 487531654 /nfs/dbraw/zinc/53/16/54/487531654.db2.gz VJTHQCXWWPAZTH-UHFFFAOYSA-N 1 0 249.318 0.509 20 30 BCEDRO COCC#CC[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000677820605 488136650 /nfs/dbraw/zinc/13/66/50/488136650.db2.gz QXPAYXIIYLFPEP-NEPJUHHUSA-N 1 0 241.356 0.843 20 30 BCEDRO C=CCOCCNC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000304247656 487483061 /nfs/dbraw/zinc/48/30/61/487483061.db2.gz PWZYSLMMIYNBDT-LLVKDONJSA-N 1 0 226.320 0.695 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000669563814 487483378 /nfs/dbraw/zinc/48/33/78/487483378.db2.gz CBSISPLEPCNUBL-VXGBXAGGSA-N 1 0 235.331 0.793 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](C(C)C)[C@H](C)[NH3+] ZINC000399423079 487483653 /nfs/dbraw/zinc/48/36/53/487483653.db2.gz GCCNZDKBQZEODW-QWRGUYRKSA-N 1 0 228.336 0.925 20 30 BCEDRO C=CCOCCNC(=O)c1ccc(C[NH3+])o1 ZINC000304275503 487484821 /nfs/dbraw/zinc/48/48/21/487484821.db2.gz WILAPNQVDAYCAO-UHFFFAOYSA-N 1 0 224.260 0.671 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C(C)(C)CO)C1=O ZINC000685001290 487489386 /nfs/dbraw/zinc/48/93/86/487489386.db2.gz YCRHSCLXEJWJAQ-JTQLQIEISA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)C2(COC)CC2)C1=O ZINC000685003238 487490587 /nfs/dbraw/zinc/49/05/87/487490587.db2.gz RCPHTARCTOOUDM-NSHDSACASA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCOCCNC(=O)CC1([NH3+])CCC1 ZINC000308797781 487494914 /nfs/dbraw/zinc/49/49/14/487494914.db2.gz LFLNMEVYQTZMTH-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO C=CCOCCNC(=O)C[C@H]1CCC[NH2+]1 ZINC000308798632 487495209 /nfs/dbraw/zinc/49/52/09/487495209.db2.gz LOFFMMNRYXMFSI-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO COCC#CCN(C)CC[NH+]1CCCC1 ZINC000677817203 487506658 /nfs/dbraw/zinc/50/66/58/487506658.db2.gz ITKPQVBPWHAONA-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000668234689 487508989 /nfs/dbraw/zinc/50/89/89/487508989.db2.gz QPOREZQFSQFLOW-ZDUSSCGKSA-N 1 0 240.347 0.724 20 30 BCEDRO COCC#CC[NH+]1CCC(Cn2ccnn2)CC1 ZINC000677819749 487515588 /nfs/dbraw/zinc/51/55/88/487515588.db2.gz PBWNZBTYYLEQLF-UHFFFAOYSA-N 1 0 248.330 0.640 20 30 BCEDRO COCC#CC[N@H+](C)[C@H](CO)C(C)(C)C ZINC000677820015 487517342 /nfs/dbraw/zinc/51/73/42/487517342.db2.gz UADIAVUGHZXSLH-LLVKDONJSA-N 1 0 213.321 0.975 20 30 BCEDRO CCC1(O)CC[NH+](CC#CCOC)CC1 ZINC000677820487 487519953 /nfs/dbraw/zinc/51/99/53/487519953.db2.gz OZFWJCLOBDGGQA-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CCOCCNC(=O)[C@]1(C)CCC[NH2+]1 ZINC000379804077 488150366 /nfs/dbraw/zinc/15/03/66/488150366.db2.gz LLSZWXKAIXOXTH-NSHDSACASA-N 1 0 212.293 0.447 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(CCC)CC[NH+](C)C ZINC000668301585 487635397 /nfs/dbraw/zinc/63/53/97/487635397.db2.gz NGDZPXFGWFQVQI-GFCCVEGCSA-N 1 0 228.336 0.724 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000667376296 487988443 /nfs/dbraw/zinc/98/84/43/487988443.db2.gz NWKDLUGIYRJDDK-WDEREUQCSA-N 1 0 226.320 0.380 20 30 BCEDRO CC[N@@H+]1CCN(CC#CCOC)C[C@@H]1C ZINC000677819581 488134694 /nfs/dbraw/zinc/13/46/94/488134694.db2.gz BDDPLGVSQAFXLW-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H]([C@H](C)O)C1 ZINC000677819765 488136245 /nfs/dbraw/zinc/13/62/45/488136245.db2.gz QJAQMTFGTXLVIO-RYUDHWBXSA-N 1 0 211.305 0.729 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000677820285 488137080 /nfs/dbraw/zinc/13/70/80/488137080.db2.gz KXVIUYCNKMYJQC-NSHDSACASA-N 1 0 224.304 0.224 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000677820228 488137382 /nfs/dbraw/zinc/13/73/82/488137382.db2.gz JQQKTXYJTXKKJN-LBPRGKRZSA-N 1 0 209.289 0.749 20 30 BCEDRO COCC#CC[N@H+](C)CCOCC1CC1 ZINC000677820742 488137540 /nfs/dbraw/zinc/13/75/40/488137540.db2.gz UXNZKMZNTNUNGP-UHFFFAOYSA-N 1 0 211.305 0.995 20 30 BCEDRO C=CCOCCNC(=O)C(C)(C)C[NH3+] ZINC000379518993 488141410 /nfs/dbraw/zinc/14/14/10/488141410.db2.gz BLGURDQRQUDOCT-UHFFFAOYSA-N 1 0 200.282 0.290 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000668008321 488183079 /nfs/dbraw/zinc/18/30/79/488183079.db2.gz TYJQHXTTXDNEMP-WDEREUQCSA-N 1 0 224.304 0.230 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)CCCC(=O)NC ZINC000678049058 488184887 /nfs/dbraw/zinc/18/48/87/488184887.db2.gz CFEJGYZWZBMVSP-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=CCCOCC(=O)NCC1([NH+](C)C)CC1 ZINC000668049110 488195175 /nfs/dbraw/zinc/19/51/75/488195175.db2.gz NBLRGMWSHJXPCT-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCOCCNC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000669555299 488216563 /nfs/dbraw/zinc/21/65/63/488216563.db2.gz OXCUYEQOXCMTNU-MNOVXSKESA-N 1 0 241.335 0.581 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000669555425 488216577 /nfs/dbraw/zinc/21/65/77/488216577.db2.gz XGUKJZJKQKMTHW-PHIMTYICSA-N 1 0 239.319 0.050 20 30 BCEDRO C=CCOCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000669555386 488216648 /nfs/dbraw/zinc/21/66/48/488216648.db2.gz UQUOITHHOUTEKC-SNVBAGLBSA-N 1 0 227.308 0.192 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)O[C@@]2(CCOC2)C1 ZINC000684626640 488335456 /nfs/dbraw/zinc/33/54/56/488335456.db2.gz LNGAVTLLTAGNJB-AVGNSLFASA-N 1 0 241.331 0.803 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000684668238 488337650 /nfs/dbraw/zinc/33/76/50/488337650.db2.gz IKMHFXUBUYFCKQ-PWSUYJOCSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCOCCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000679493870 488355298 /nfs/dbraw/zinc/35/52/98/488355298.db2.gz LKZMUUIBEKJRIV-UHFFFAOYSA-N 1 0 241.335 0.582 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1cc[nH]n1 ZINC000594467028 490096321 /nfs/dbraw/zinc/09/63/21/490096321.db2.gz FEARSBQIMVNJOA-QMMMGPOBSA-N 1 0 221.264 0.759 20 30 BCEDRO C=CC[C@@]1(C(=O)N(C)Cc2nc[nH]n2)CCC[NH2+]1 ZINC000662736609 490145676 /nfs/dbraw/zinc/14/56/76/490145676.db2.gz HTLOBARYUWXNBQ-LBPRGKRZSA-N 1 0 249.318 0.461 20 30 BCEDRO C=CCCC[NH2+]C1CCN(S(C)(=O)=O)CC1 ZINC000070591676 490224085 /nfs/dbraw/zinc/22/40/85/490224085.db2.gz DSANMESRMWMAHE-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO COCC#CC[NH+]1CCC([C@@H](C)O)CC1 ZINC000677818017 490664509 /nfs/dbraw/zinc/66/45/09/490664509.db2.gz SGHQVRWZQUYSOE-LLVKDONJSA-N 1 0 211.305 0.729 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@H]([NH3+])C(C)C)C(C)C ZINC000491726415 491080184 /nfs/dbraw/zinc/08/01/84/491080184.db2.gz DJNWQAFNEIWJPM-WDEREUQCSA-N 1 0 225.336 0.927 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CC[NH2+]C1)C1CCCC1 ZINC000491792529 491080800 /nfs/dbraw/zinc/08/08/00/491080800.db2.gz GKTRCUFRPCWIDY-NSHDSACASA-N 1 0 235.331 0.936 20 30 BCEDRO CC(C)([NH3+])C(=O)NCC#Cc1ccccc1 ZINC000299415251 491092662 /nfs/dbraw/zinc/09/26/62/491092662.db2.gz SDWCNLGPXVKDJR-UHFFFAOYSA-N 1 0 216.284 0.892 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000669184012 491092727 /nfs/dbraw/zinc/09/27/27/491092727.db2.gz VQMKYNDXRLWNOP-BBBLOLIVSA-N 1 0 212.293 0.132 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(NC(C)=O)CC1 ZINC000677048183 491125801 /nfs/dbraw/zinc/12/58/01/491125801.db2.gz PCXNRJMIQRWLBM-GFCCVEGCSA-N 1 0 226.320 0.524 20 30 BCEDRO CCNC(NCc1snnc1C)=[NH+]CC ZINC000291851647 535786992 /nfs/dbraw/zinc/78/69/92/535786992.db2.gz FUNXIRYYSVBERJ-UHFFFAOYSA-N 1 0 227.337 0.922 20 30 BCEDRO N#CCCCNC(=O)N1CCCC[C@H]1C[NH3+] ZINC000891770464 582718615 /nfs/dbraw/zinc/71/86/15/582718615.db2.gz XLMWXQFCUFUBJB-JTQLQIEISA-N 1 0 224.308 0.813 20 30 BCEDRO CC#CCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891814724 582725934 /nfs/dbraw/zinc/72/59/34/582725934.db2.gz UCKSKNNPPHOEDL-DGCLKSJQSA-N 1 0 235.331 0.984 20 30 BCEDRO CC#CCCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891814725 582726083 /nfs/dbraw/zinc/72/60/83/582726083.db2.gz UCKSKNNPPHOEDL-WCQYABFASA-N 1 0 235.331 0.984 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC1(CC#N)CC1 ZINC000891869642 582732449 /nfs/dbraw/zinc/73/24/49/582732449.db2.gz LEAAUJISOWPVRB-VHSXEESVSA-N 1 0 236.319 0.811 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(S(C)(=O)=O)s1 ZINC000262362247 536304839 /nfs/dbraw/zinc/30/48/39/536304839.db2.gz HBLIVLDBANUXEE-UHFFFAOYSA-N 1 0 247.345 0.186 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(OCC2CC2)nc1 ZINC000264113756 536304957 /nfs/dbraw/zinc/30/49/57/536304957.db2.gz RYDODAJBVQRTHM-UHFFFAOYSA-N 1 0 234.303 0.905 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(OCCOC)cc1 ZINC000264078859 536304964 /nfs/dbraw/zinc/30/49/64/536304964.db2.gz GSHAGISLCZPZSE-UHFFFAOYSA-N 1 0 237.303 0.746 20 30 BCEDRO C=C(CC)C[N@H+](CCOC)[C@@H](C)C(N)=O ZINC000358498727 534376915 /nfs/dbraw/zinc/37/69/15/534376915.db2.gz MLZLQOGKZVYUQJ-JTQLQIEISA-N 1 0 214.309 0.775 20 30 BCEDRO C=C(CC)C[N@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000358507064 534401169 /nfs/dbraw/zinc/40/11/69/534401169.db2.gz KUAZJXHPLSIJAP-VHSXEESVSA-N 1 0 212.293 0.527 20 30 BCEDRO C=C(Cl)C[N@@H+]1CC[C@@H]2C(=O)NC[C@@H]2C1 ZINC000377721061 534439833 /nfs/dbraw/zinc/43/98/33/534439833.db2.gz ISFJZTJKIOVCGD-BDAKNGLRSA-N 1 0 214.696 0.807 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000372861577 534444521 /nfs/dbraw/zinc/44/45/21/534444521.db2.gz WUEMEFRCZUNNJF-JTQLQIEISA-N 1 0 243.738 0.245 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1C[C@@]12CC[NH2+]C2 ZINC000261528349 534447523 /nfs/dbraw/zinc/44/75/23/534447523.db2.gz NXWAWDGBDSUADU-PSASIEDQSA-N 1 0 214.696 0.855 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NC2CCC2)nn1 ZINC000263039521 534451572 /nfs/dbraw/zinc/45/15/72/534451572.db2.gz IOTOYESJKMYSNE-UHFFFAOYSA-N 1 0 234.307 0.421 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])NC(C)C)nn1 ZINC000263069319 534452040 /nfs/dbraw/zinc/45/20/40/534452040.db2.gz OWJBQOSFMYOESS-UHFFFAOYSA-N 1 0 222.296 0.277 20 30 BCEDRO C=C1CC[NH+](CCN2CCOCC2)CC1 ZINC000334223528 534464573 /nfs/dbraw/zinc/46/45/73/534464573.db2.gz ZTXXSRNYMBVXLX-UHFFFAOYSA-N 1 0 210.321 0.971 20 30 BCEDRO C=C[C@@H](CO)NC(=O)C1CC[NH+](C2CC2)CC1 ZINC000331529561 534517846 /nfs/dbraw/zinc/51/78/46/534517846.db2.gz UADXEJOZRDUZKU-NSHDSACASA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@@H](CO)NC(=O)CC[C@H]1CCCC[N@H+]1C ZINC000356854290 534518708 /nfs/dbraw/zinc/51/87/08/534518708.db2.gz JUQMKHGCBJCLLK-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(C(=O)OC)[nH]1 ZINC000291503136 534540633 /nfs/dbraw/zinc/54/06/33/534540633.db2.gz HPSZPVNJFFNMDE-QMMMGPOBSA-N 1 0 224.260 0.438 20 30 BCEDRO C=C[C@@H](CO)[NH2+]C1CCN(C(=O)N(C)C)CC1 ZINC000353570457 534540669 /nfs/dbraw/zinc/54/06/69/534540669.db2.gz SVQZHBBECYRCLP-JTQLQIEISA-N 1 0 241.335 0.269 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H]1CC[NH2+]C1 ZINC000333669491 534568062 /nfs/dbraw/zinc/56/80/62/534568062.db2.gz YCDVSZSZYVIBQZ-AXFHLTTASA-N 1 0 239.319 0.381 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000333836348 534600431 /nfs/dbraw/zinc/60/04/31/534600431.db2.gz UILQEKYITPKQMP-AXFHLTTASA-N 1 0 239.319 0.333 20 30 BCEDRO C=CCCC(=O)N1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000352198595 534605738 /nfs/dbraw/zinc/60/57/38/534605738.db2.gz XITXWOVYEUMZLY-NWDGAFQWSA-N 1 0 240.347 0.866 20 30 BCEDRO C#Cc1cccc(CNC(NC)=[NH+]C)c1 ZINC000849038115 582838246 /nfs/dbraw/zinc/83/82/46/582838246.db2.gz IJLAUHCJVQFNBP-UHFFFAOYSA-N 1 0 201.273 0.963 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000353039179 534626459 /nfs/dbraw/zinc/62/64/59/534626459.db2.gz IBOAASFOJCZLON-DGCLKSJQSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000353039180 534627256 /nfs/dbraw/zinc/62/72/56/534627256.db2.gz IBOAASFOJCZLON-WCQYABFASA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000332511282 534628383 /nfs/dbraw/zinc/62/83/83/534628383.db2.gz MJHZZPIYTMIPJB-GXSJLCMTSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000352951149 534628484 /nfs/dbraw/zinc/62/84/84/534628484.db2.gz ZZZTYCVUNXPBLW-DGCLKSJQSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCCCC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000359362222 534657686 /nfs/dbraw/zinc/65/76/86/534657686.db2.gz JQNUBQCHDDZGNE-UHFFFAOYSA-N 1 0 240.347 0.916 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000342433192 534714069 /nfs/dbraw/zinc/71/40/69/534714069.db2.gz QHYASHDCHCBNJM-CMPLNLGQSA-N 1 0 235.331 0.792 20 30 BCEDRO C=CCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NCC=C ZINC000342743344 534770739 /nfs/dbraw/zinc/77/07/39/534770739.db2.gz ZSTLXLDMLMCBRS-SNVBAGLBSA-N 1 0 239.319 0.895 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000261527878 534784888 /nfs/dbraw/zinc/78/48/88/534784888.db2.gz BGQGGSJHJMZKGB-SECBINFHSA-N 1 0 218.322 0.186 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000334967665 534785212 /nfs/dbraw/zinc/78/52/12/534785212.db2.gz PXFOINLOMFAILB-ZJUUUORDSA-N 1 0 230.333 0.186 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000261592022 534785869 /nfs/dbraw/zinc/78/58/69/534785869.db2.gz VRJBQAJCLIWAHJ-ZJUUUORDSA-N 1 0 232.349 0.561 20 30 BCEDRO C=CC[N@@H+](C)[C@H](C)C(=O)NC[C@H]1CCCO1 ZINC000121359459 534816222 /nfs/dbraw/zinc/81/62/22/534816222.db2.gz ODBSKJQXUFAIRW-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@](C)(OC)C1CC1 ZINC000290925886 534842703 /nfs/dbraw/zinc/84/27/03/534842703.db2.gz IIPISIQFZIKLRL-NSHDSACASA-N 1 0 211.309 0.892 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](O)c1ccccc1OC ZINC000264064883 534843406 /nfs/dbraw/zinc/84/34/06/534843406.db2.gz ASXKHIFWDUBSKK-NSHDSACASA-N 1 0 249.314 0.819 20 30 BCEDRO C=CCNC(=[NH2+])NCC1(C)CCOCC1 ZINC000262194723 534844510 /nfs/dbraw/zinc/84/45/10/534844510.db2.gz ZFKLORNIJPWRBM-UHFFFAOYSA-N 1 0 211.309 0.893 20 30 BCEDRO C=CCNC(=[NH2+])NCC1(S(C)(=O)=O)CCC1 ZINC000262383884 534845216 /nfs/dbraw/zinc/84/52/16/534845216.db2.gz OKIAVZHMGQTJLT-UHFFFAOYSA-N 1 0 245.348 0.044 20 30 BCEDRO C=CC[NH+]1CCC(O)(CN2CCOCC2)CC1 ZINC000374997329 534846898 /nfs/dbraw/zinc/84/68/98/534846898.db2.gz JVRWUQORJRDPAF-UHFFFAOYSA-N 1 0 240.347 0.332 20 30 BCEDRO C=CC[NH+]1CCC([C@@H](O)C(=O)NC2CC2)CC1 ZINC000332181800 534847928 /nfs/dbraw/zinc/84/79/28/534847928.db2.gz WUTSIYAYOPFRSJ-GFCCVEGCSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CCNC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000262134223 534860826 /nfs/dbraw/zinc/86/08/26/534860826.db2.gz DJIOSRNDRDMXFN-UWVGGRQHSA-N 1 0 211.309 0.799 20 30 BCEDRO C=CCOCC(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@H]1C ZINC000356405731 534866594 /nfs/dbraw/zinc/86/65/94/534866594.db2.gz LLIPPDCBBKBTBM-VXGBXAGGSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CCOCC(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000356405730 534867120 /nfs/dbraw/zinc/86/71/20/534867120.db2.gz LLIPPDCBBKBTBM-RYUDHWBXSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CCOCC(=O)N1CC[NH+]2CCC1CC2 ZINC000356999886 534868025 /nfs/dbraw/zinc/86/80/25/534868025.db2.gz QJYIIDVRDYGALI-UHFFFAOYSA-N 1 0 224.304 0.496 20 30 BCEDRO C=CCOCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000261535837 534868113 /nfs/dbraw/zinc/86/81/13/534868113.db2.gz PJMLSXKTJFPVEM-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCOCC(=O)NCC[N@H+]1CC=C(C)CC1 ZINC000358082160 534869470 /nfs/dbraw/zinc/86/94/70/534869470.db2.gz SGADIYYCYNPURD-UHFFFAOYSA-N 1 0 238.331 0.957 20 30 BCEDRO C=CCOCCC[N@@H+](CC)CC(N)=O ZINC000348170821 534874079 /nfs/dbraw/zinc/87/40/79/534874079.db2.gz SQDROACVLPFOCU-UHFFFAOYSA-N 1 0 200.282 0.386 20 30 BCEDRO C=CCOCCC[N@@H+](CCO)C[C@H](C)O ZINC000351935702 534874875 /nfs/dbraw/zinc/87/48/75/534874875.db2.gz KCYKQJHACYCCBJ-NSHDSACASA-N 1 0 217.309 0.254 20 30 BCEDRO CNC(N[C@H](C)CNC(=O)OC(C)(C)C)=[NH+]C ZINC000496893756 526344934 /nfs/dbraw/zinc/34/49/34/526344934.db2.gz OEZHRIQLWBHTBM-MRVPVSSYSA-N 1 0 244.339 0.694 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@@H](C)[C@H](CO)C2)C1=O ZINC000499733721 526481726 /nfs/dbraw/zinc/48/17/26/526481726.db2.gz PFQAPCQZYWHJGY-GRYCIOLGSA-N 1 0 238.331 0.334 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000401051767 526616265 /nfs/dbraw/zinc/61/62/65/526616265.db2.gz PRQARRVHXMBYAV-OUAUKWLOSA-N 1 0 223.320 0.860 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2[NH2+]CC[C@@H]2C1 ZINC000494925980 526698330 /nfs/dbraw/zinc/69/83/30/526698330.db2.gz ZHBRQGOUPVFZMO-MNOVXSKESA-N 1 0 224.304 0.399 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CC[NH2+][C@H](C)C1)C1CC1 ZINC000491567550 526773854 /nfs/dbraw/zinc/77/38/54/526773854.db2.gz LWVZLOJDTYFLAL-MNOVXSKESA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000491785529 526793607 /nfs/dbraw/zinc/79/36/07/526793607.db2.gz SKJHQQUHFVNSIB-NSHDSACASA-N 1 0 223.320 0.779 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CCCC[C@H]1C[NH3+] ZINC000491802878 526795101 /nfs/dbraw/zinc/79/51/01/526795101.db2.gz HLGNMXOZLOLCHV-QWRGUYRKSA-N 1 0 223.320 0.779 20 30 BCEDRO CN1CC[C@](O)(C[NH2+]CC(C)(C)CCC#N)C1 ZINC000358166890 536481707 /nfs/dbraw/zinc/48/17/07/536481707.db2.gz PKUYTSKQRPTYCO-ZDUSSCGKSA-N 1 0 239.363 0.973 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000491738424 526855724 /nfs/dbraw/zinc/85/57/24/526855724.db2.gz PDPPJJQRKFZKHJ-LBPRGKRZSA-N 1 0 233.315 0.407 20 30 BCEDRO C#CC[N@H+](CC#CC)CCCN1CCCC1=O ZINC000490680200 526863785 /nfs/dbraw/zinc/86/37/85/526863785.db2.gz YRWTWTPANCGNTC-UHFFFAOYSA-N 1 0 232.327 0.957 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)CN(C)C(C)C ZINC000491486896 526987334 /nfs/dbraw/zinc/98/73/34/526987334.db2.gz YZIIVGLFUOANOP-GFCCVEGCSA-N 1 0 239.363 0.444 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@](C)(O)CC1 ZINC000491067291 526977531 /nfs/dbraw/zinc/97/75/31/526977531.db2.gz HOSRSELDWWNYFM-CYBMUJFWSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](CO)[C@H]1CC ZINC000491661338 526978167 /nfs/dbraw/zinc/97/81/67/526978167.db2.gz KPPXKUOMBBUTRL-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC[C@@H](C)CO ZINC000491727926 526981668 /nfs/dbraw/zinc/98/16/68/526981668.db2.gz CLXUMDRRMDKYMJ-LLVKDONJSA-N 1 0 226.320 0.124 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](CC)OC ZINC000491705587 526982379 /nfs/dbraw/zinc/98/23/79/526982379.db2.gz VUPKDIXZUVXASG-SNVBAGLBSA-N 1 0 212.293 0.141 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000491757712 527204845 /nfs/dbraw/zinc/20/48/45/527204845.db2.gz FKKQLOHWDSZMHE-WDEREUQCSA-N 1 0 225.336 0.990 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000491048108 527214875 /nfs/dbraw/zinc/21/48/75/527214875.db2.gz WXIWFHXGIJVHNV-MNOVXSKESA-N 1 0 244.360 0.221 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000491486147 527260336 /nfs/dbraw/zinc/26/03/36/527260336.db2.gz ULXJEXUPZSJBFP-CABZTGNLSA-N 1 0 241.237 0.582 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1cc(F)ccc1F ZINC000491486148 527261072 /nfs/dbraw/zinc/26/10/72/527261072.db2.gz ULXJEXUPZSJBFP-JOYOIKCWSA-N 1 0 241.237 0.582 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(=O)N(C)OC)C(C)C ZINC000491732425 527290227 /nfs/dbraw/zinc/29/02/27/527290227.db2.gz JPBOEEZSMXFUBG-SNVBAGLBSA-N 1 0 212.293 0.644 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000491048109 527332993 /nfs/dbraw/zinc/33/29/93/527332993.db2.gz WXIWFHXGIJVHNV-QWRGUYRKSA-N 1 0 244.360 0.221 20 30 BCEDRO C=CCn1cc(CNC(=O)/C=C/C[NH+](C)C)nn1 ZINC000493136944 527364123 /nfs/dbraw/zinc/36/41/23/527364123.db2.gz FGCNOZHHWMVSGW-AATRIKPKSA-N 1 0 249.318 0.198 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1cc(F)ccc1F ZINC000491486149 527377069 /nfs/dbraw/zinc/37/70/69/527377069.db2.gz ULXJEXUPZSJBFP-SKDRFNHKSA-N 1 0 241.237 0.582 20 30 BCEDRO C#C[C@H](NC(=O)NCC(C)(C)[NH3+])C(C)C ZINC000491815418 527390910 /nfs/dbraw/zinc/39/09/10/527390910.db2.gz ULAJOPRQAQOGBC-VIFPVBQESA-N 1 0 211.309 0.681 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H]1C[NH2+]CC[C@H]1C)C(C)C ZINC000491635705 527398146 /nfs/dbraw/zinc/39/81/46/527398146.db2.gz SCVWAZWMKTVMFN-GRYCIOLGSA-N 1 0 237.347 0.941 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)C(C)C ZINC000300946994 527409897 /nfs/dbraw/zinc/40/98/97/527409897.db2.gz PHOFPOFJAPXXST-NEPJUHHUSA-N 1 0 221.304 0.491 20 30 BCEDRO C#C[C@H]1COCCN1CC[NH2+]C(C)(C)C ZINC000491697628 527427906 /nfs/dbraw/zinc/42/79/06/527427906.db2.gz QBGYQEZKUUARQT-NSHDSACASA-N 1 0 210.321 0.709 20 30 BCEDRO C=CC[N@H+](C)CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000494684000 527574259 /nfs/dbraw/zinc/57/42/59/527574259.db2.gz GXOBNGRLXDJAKI-TXEJJXNPSA-N 1 0 210.321 0.967 20 30 BCEDRO COCCOCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336765111 536515663 /nfs/dbraw/zinc/51/56/63/536515663.db2.gz QOAAALSNEYSVRC-WDEREUQCSA-N 1 0 212.293 0.931 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1cc(C)ccn1 ZINC000263199600 536520296 /nfs/dbraw/zinc/52/02/96/536520296.db2.gz XAIOKUNAXSYZGU-SNVBAGLBSA-N 1 0 236.319 0.829 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1scnc1C ZINC000262023938 536521084 /nfs/dbraw/zinc/52/10/84/536521084.db2.gz YWQYBDAOHIADFA-SSDOTTSWSA-N 1 0 242.348 0.891 20 30 BCEDRO CCNC(NCCCN1CCOC1=O)=[NH+]CC ZINC000496426466 528801712 /nfs/dbraw/zinc/80/17/12/528801712.db2.gz YPLGVNZZDRIBFM-UHFFFAOYSA-N 1 0 242.323 0.404 20 30 BCEDRO CC[C@H](CC#N)NC(=O)/C=C\C[NH+](C)C ZINC000492607820 529296094 /nfs/dbraw/zinc/29/60/94/529296094.db2.gz ZXLYUNRSMRDYCT-WWQCOOJYSA-N 1 0 209.293 0.913 20 30 BCEDRO CC1(C)NC(=O)CC[C@@H]1[NH2+]CCCC#N ZINC000309107891 534969574 /nfs/dbraw/zinc/96/95/74/534969574.db2.gz IQFKJZSCESHPFQ-VIFPVBQESA-N 1 0 209.293 0.937 20 30 BCEDRO CC(C)NC(=[NH2+])NCC1(S(C)(=O)=O)CCC1 ZINC000262444920 535125803 /nfs/dbraw/zinc/12/58/03/535125803.db2.gz ILSPJURDHVJFHY-UHFFFAOYSA-N 1 0 247.364 0.266 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000260082396 535127029 /nfs/dbraw/zinc/12/70/29/535127029.db2.gz QGILLAHVDYYPRE-NXEZZACHSA-N 1 0 209.293 0.745 20 30 BCEDRO CC(C)(O)C(C)(C)CNC(=[NH2+])N1CCC1 ZINC000263036226 535262124 /nfs/dbraw/zinc/26/21/24/535262124.db2.gz BVEJVIRPSZLNSV-UHFFFAOYSA-N 1 0 213.325 0.804 20 30 BCEDRO CC[NH+]=C(NCCO)NC[C@@]1(C)CCCO1 ZINC000261681403 535262144 /nfs/dbraw/zinc/26/21/44/535262144.db2.gz DECQRMBSAULYHX-LLVKDONJSA-N 1 0 229.324 0.103 20 30 BCEDRO CC(C)OC(=O)CCNC1=[NH+]C[C@H](C)N1 ZINC000262682503 535292030 /nfs/dbraw/zinc/29/20/30/535292030.db2.gz WVLPTDUJTHWBEI-QMMMGPOBSA-N 1 0 213.281 0.265 20 30 BCEDRO CC(C)[C@@](C)(C#N)NC(=O)[C@H](C)[N@H+](C)CCO ZINC000355443169 535305814 /nfs/dbraw/zinc/30/58/14/535305814.db2.gz LJXXCVNABUAWQQ-CMPLNLGQSA-N 1 0 241.335 0.353 20 30 BCEDRO CC(C)(O)C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000408110690 535307290 /nfs/dbraw/zinc/30/72/90/535307290.db2.gz UFHJLLMHRYLJTA-UHFFFAOYSA-N 1 0 237.347 0.679 20 30 BCEDRO CCC[C@@H](C(=O)N1CC(O)(CC#N)C1)[NH+](C)C ZINC000332076933 535310175 /nfs/dbraw/zinc/31/01/75/535310175.db2.gz XHGBTZBGPHHSNI-JTQLQIEISA-N 1 0 239.319 0.204 20 30 BCEDRO CC[C@@H](C)[NH+]=C(NCC(=O)N(C)C)NC1CC1 ZINC000171603154 535453638 /nfs/dbraw/zinc/45/36/38/535453638.db2.gz GVVHXPMGVWFZGR-SECBINFHSA-N 1 0 240.351 0.571 20 30 BCEDRO CC[NH+](CC)CC(=O)N(C)C[C@@H](C)C#N ZINC000357830659 535487812 /nfs/dbraw/zinc/48/78/12/535487812.db2.gz KLKFMKCUYZBQHT-JTQLQIEISA-N 1 0 211.309 0.946 20 30 BCEDRO CC[C@@H](C)C[N@H+](CC)CC(=O)NCC#N ZINC000177856021 535508731 /nfs/dbraw/zinc/50/87/31/535508731.db2.gz IKFDMMGCKIGXNC-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO CC[N@H+](CCOC)CCC(=O)N(C)CCC#N ZINC000042493044 535748412 /nfs/dbraw/zinc/74/84/12/535748412.db2.gz XGVNAYLVNUIMQX-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO CC[N@H+](C)C[C@H]1CCN(C(=O)CC#N)C1 ZINC000358536522 535752567 /nfs/dbraw/zinc/75/25/67/535752567.db2.gz NBGZBGKJYGCORL-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO CCNC(NCCN1CC=CCC1)=[NH+]CC ZINC000279989650 535785987 /nfs/dbraw/zinc/78/59/87/535785987.db2.gz LOSRRUFGMSVMFN-UHFFFAOYSA-N 1 0 224.352 0.823 20 30 BCEDRO CC[C@@]1(C)CCN(C(NCC(=O)NC)=[NH+]C)C1 ZINC000261776949 536040021 /nfs/dbraw/zinc/04/00/21/536040021.db2.gz OUEKUVGRZBHVNZ-LBPRGKRZSA-N 1 0 240.351 0.430 20 30 BCEDRO CC[C@H](C)NC(NCCn1cncn1)=[NH+]C ZINC000263108220 536146145 /nfs/dbraw/zinc/14/61/45/536146145.db2.gz DBTKMXBNSOOYGK-VIFPVBQESA-N 1 0 224.312 0.242 20 30 BCEDRO CN1C(=O)CC[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)C1=O ZINC000333607317 536310243 /nfs/dbraw/zinc/31/02/43/536310243.db2.gz RICGLPVYFPFWCE-DCAQKATOSA-N 1 0 249.314 0.806 20 30 BCEDRO C[N@@H+]1CCCC12CCN(C(=O)CC#N)CC2 ZINC000357559993 536352803 /nfs/dbraw/zinc/35/28/03/536352803.db2.gz DXTNYEXRFNAFCH-UHFFFAOYSA-N 1 0 221.304 0.987 20 30 BCEDRO Cn1nncc1CNC(=O)[C@@H]1CCC[N@@H+]1C ZINC000329429189 536387794 /nfs/dbraw/zinc/38/77/94/536387794.db2.gz GVUMMDCQRWCIJH-VIFPVBQESA-N 1 0 223.280 0.366 20 30 BCEDRO CO[C@@H]1COCC[C@H]1CNC1=[NH+]CCCN1C ZINC000263107549 536748308 /nfs/dbraw/zinc/74/83/08/536748308.db2.gz KUEZOXLLAUMELF-WDEREUQCSA-N 1 0 241.335 0.319 20 30 BCEDRO CO[C@@](C)(CNC1=[NH+]C[C@@H](C)N1)C1CC1 ZINC000261538555 536821180 /nfs/dbraw/zinc/82/11/80/536821180.db2.gz YNDRSVGFAVYHLQ-KCJUWKMLSA-N 1 0 211.309 0.739 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1COc2ccccc21 ZINC000262668532 536853472 /nfs/dbraw/zinc/85/34/72/536853472.db2.gz OLIOTRJRZXUUIZ-SNVBAGLBSA-N 1 0 235.287 0.671 20 30 BCEDRO COc1cccnc1CNC(=[NH2+])N1CCC1 ZINC000263151214 537111500 /nfs/dbraw/zinc/11/15/00/537111500.db2.gz PNRUOSGCCZINRZ-UHFFFAOYSA-N 1 0 220.276 0.611 20 30 BCEDRO C#C[C@H]1COCCN1C[C@H]1COC(C)(C)O1 ZINC000852163329 583008313 /nfs/dbraw/zinc/00/83/13/583008313.db2.gz YXCKGHQQFMHYLU-QWRGUYRKSA-N 1 0 225.288 0.472 20 30 BCEDRO C#CCC[C@@H](O)CNc1cc[nH+]cc1CO ZINC000893674043 583193691 /nfs/dbraw/zinc/19/36/91/583193691.db2.gz VCIISLOOZZGBAH-LLVKDONJSA-N 1 0 220.272 0.182 20 30 BCEDRO CCOC(=O)[C@]1(C)CCC[C@H]1NC(NC)=[NH+]C ZINC000853013417 588715579 /nfs/dbraw/zinc/71/55/79/588715579.db2.gz SOCNGUFJQLYJDQ-BXKDBHETSA-N 1 0 241.335 0.903 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@@H](O)c1ccccn1 ZINC000853106487 588720743 /nfs/dbraw/zinc/72/07/43/588720743.db2.gz ALSVNBDIVHOKQA-CQSZACIVSA-N 1 0 247.342 0.660 20 30 BCEDRO C#C[C@@H]([NH2+]CCS(C)(=O)=O)C1CCOCC1 ZINC000853115605 588721414 /nfs/dbraw/zinc/72/14/14/588721414.db2.gz LGQKZPRIOFMRHD-LLVKDONJSA-N 1 0 245.344 0.049 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)COC)C1CCOCC1 ZINC000853116570 588721638 /nfs/dbraw/zinc/72/16/38/588721638.db2.gz XSKDMCYCOZUZKE-RYUDHWBXSA-N 1 0 227.304 0.012 20 30 BCEDRO C#Cc1cccnc1N1CC[NH+](C[C@@H](C)O)CC1 ZINC000853265397 588730038 /nfs/dbraw/zinc/73/00/38/588730038.db2.gz SCZDLFSJQZRVJT-GFCCVEGCSA-N 1 0 245.326 0.566 20 30 BCEDRO Cn1ncc(C2CC2)c1C=NNC(N)=[NH2+] ZINC000853286538 588730869 /nfs/dbraw/zinc/73/08/69/588730869.db2.gz BINGLOLGAUUAKB-UHFFFAOYSA-N 1 0 206.253 0.114 20 30 BCEDRO C#Cc1cccnc1NC[C@H]1C[N@@H+](C)CCN1C ZINC000853316063 588732295 /nfs/dbraw/zinc/73/22/95/588732295.db2.gz GNKKHDICBZAECV-ZDUSSCGKSA-N 1 0 244.342 0.721 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccnn2CC2CC2)N1 ZINC000853330214 588733622 /nfs/dbraw/zinc/73/36/22/588733622.db2.gz KPGLPDCDCRQCIL-SECBINFHSA-N 1 0 246.318 0.564 20 30 BCEDRO CC[C@@H]1COCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000853330480 588733692 /nfs/dbraw/zinc/73/36/92/588733692.db2.gz NLNYAUUDAHXGDF-JGVFFNPUSA-N 1 0 210.281 0.336 20 30 BCEDRO C[C@@H]1CNC(NN=C2CO[C@H](C3CC3)C2)=[NH+]1 ZINC000853329694 588733777 /nfs/dbraw/zinc/73/37/77/588733777.db2.gz CNUMPXVNWVUUKZ-XCBNKYQSSA-N 1 0 222.292 0.479 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NCC[N@H+](CC)CCO ZINC000854074309 588773273 /nfs/dbraw/zinc/77/32/73/588773273.db2.gz BFBUESYGZOFXHY-NSHDSACASA-N 1 0 241.335 0.012 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N(C)CCC[NH+](C)C ZINC000854075516 588773603 /nfs/dbraw/zinc/77/36/03/588773603.db2.gz PUSZEBFCEXLUJT-NSHDSACASA-N 1 0 225.336 0.991 20 30 BCEDRO C=CCC(F)(F)C(=O)N[C@@H](CO)C[NH+](C)C ZINC000854463576 588788218 /nfs/dbraw/zinc/78/82/18/588788218.db2.gz DEGBRTXJXZIYFW-MRVPVSSYSA-N 1 0 236.262 0.237 20 30 BCEDRO C[NH+](C)C[C@@H](CO)NC(=O)C#CC(C)(C)C ZINC000854467950 588788644 /nfs/dbraw/zinc/78/86/44/588788644.db2.gz MOVFUUIHOMYLIG-JTQLQIEISA-N 1 0 226.320 0.075 20 30 BCEDRO C#CC[C@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC000854543752 588792581 /nfs/dbraw/zinc/79/25/81/588792581.db2.gz FPABLKUFKRSFDU-GFCCVEGCSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000854545637 588792705 /nfs/dbraw/zinc/79/27/05/588792705.db2.gz MZCSUYWXGOBUFD-GHMZBOCLSA-N 1 0 226.320 0.073 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1CC ZINC000854547500 588793014 /nfs/dbraw/zinc/79/30/14/588793014.db2.gz WOBVOYOUZBWDFR-RYUDHWBXSA-N 1 0 238.331 0.361 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1Cc2c[nH]nc2C1 ZINC000854582010 588795312 /nfs/dbraw/zinc/79/53/12/588795312.db2.gz ZAWBLHRVRBBXHC-UHFFFAOYSA-N 1 0 220.276 0.370 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000854650102 588799255 /nfs/dbraw/zinc/79/92/55/588799255.db2.gz MVKZCXQOIQIHIR-QJPTWQEYSA-N 1 0 238.331 0.576 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000854655330 588799483 /nfs/dbraw/zinc/79/94/83/588799483.db2.gz PCHAJOKKGQMTIE-VHSXEESVSA-N 1 0 212.293 0.086 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)CC#N ZINC000854662853 588800166 /nfs/dbraw/zinc/80/01/66/588800166.db2.gz OLULETYSZSBDKA-LLVKDONJSA-N 1 0 221.304 0.607 20 30 BCEDRO CC(C)C#CC(=O)N1CC(C[NH+](C)C)C1 ZINC000854721247 588804172 /nfs/dbraw/zinc/80/41/72/588804172.db2.gz AXKILAPTRTVRSM-UHFFFAOYSA-N 1 0 208.305 0.666 20 30 BCEDRO C#C[C@@H](CO)NC(=O)CCN(C)c1cc[nH+]cc1 ZINC000854771497 588806882 /nfs/dbraw/zinc/80/68/82/588806882.db2.gz CSAQTUHAOZBZAW-NSHDSACASA-N 1 0 247.298 0.018 20 30 BCEDRO CON=CC(=O)N1CCC[C@]2(CC[N@H+](C)C2)C1 ZINC000854734761 588804692 /nfs/dbraw/zinc/80/46/92/588804692.db2.gz CMFILJOHDYNVBV-GFCCVEGCSA-N 1 0 239.319 0.563 20 30 BCEDRO CC[N@@H+]1CC[C@@H](NC(=O)C#CC(C)C)C1 ZINC000854944547 588817616 /nfs/dbraw/zinc/81/76/16/588817616.db2.gz POMIRKIAHQEZKS-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(CO)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000855161600 588824906 /nfs/dbraw/zinc/82/49/06/588824906.db2.gz ADZROBHRIFQTLH-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000855361694 588829071 /nfs/dbraw/zinc/82/90/71/588829071.db2.gz HBACUEJHLRRMBY-RYUDHWBXSA-N 1 0 238.331 0.577 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC[C@H](O)C1CC1 ZINC000890714956 582513013 /nfs/dbraw/zinc/51/30/13/582513013.db2.gz WCTDUDYVICSPSU-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](CC)OC[C@@H]1C ZINC000844391197 582580999 /nfs/dbraw/zinc/58/09/99/582580999.db2.gz NVBAJOVHNVCXHD-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C=CCn1cc(C(=O)N2CC[C@](C)([NH3+])C2)nn1 ZINC000868080788 582593771 /nfs/dbraw/zinc/59/37/71/582593771.db2.gz ZBZOZOXIJUAHLV-NSHDSACASA-N 1 0 235.291 0.027 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COC[C@H]1C1CC1 ZINC000891047115 582601357 /nfs/dbraw/zinc/60/13/57/582601357.db2.gz OAQNEMSADFYSFG-NWDGAFQWSA-N 1 0 238.331 0.645 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000845627032 582620656 /nfs/dbraw/zinc/62/06/56/582620656.db2.gz MSYADYRPUUOXIW-MWLCHTKSSA-N 1 0 245.323 0.104 20 30 BCEDRO C=CC(C)(C)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000891269310 582649009 /nfs/dbraw/zinc/64/90/09/582649009.db2.gz HAAVVCXPZJBZJJ-LLVKDONJSA-N 1 0 237.347 0.457 20 30 BCEDRO C#CCONC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000855606572 588841675 /nfs/dbraw/zinc/84/16/75/588841675.db2.gz KMHYOWCJNSXPAZ-UHFFFAOYSA-N 1 0 233.271 0.438 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1COC2(CCC2)C1 ZINC000855660346 588843904 /nfs/dbraw/zinc/84/39/04/588843904.db2.gz SLTJRTFXWBWPGJ-LLVKDONJSA-N 1 0 238.331 0.932 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1COC2(CCC2)C1 ZINC000855660347 588844016 /nfs/dbraw/zinc/84/40/16/588844016.db2.gz SLTJRTFXWBWPGJ-NSHDSACASA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCNC(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000891438114 582684948 /nfs/dbraw/zinc/68/49/48/582684948.db2.gz FUFIWEQNYJHHDC-SNVBAGLBSA-N 1 0 211.309 0.813 20 30 BCEDRO N#CCCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891512802 582694674 /nfs/dbraw/zinc/69/46/74/582694674.db2.gz UCEROLOIMUDUJW-PHIMTYICSA-N 1 0 236.319 0.826 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891763325 582717778 /nfs/dbraw/zinc/71/77/78/582717778.db2.gz APQJRAUOMPVXFT-PHIMTYICSA-N 1 0 239.319 0.335 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)NCC(C)(C)C#N ZINC000891766771 582717935 /nfs/dbraw/zinc/71/79/35/582717935.db2.gz WKGJOAJRUSYINJ-DTWKUNHWSA-N 1 0 224.308 0.667 20 30 BCEDRO CC(C)(C#N)CNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891765840 582718098 /nfs/dbraw/zinc/71/80/98/582718098.db2.gz JHKSUPAQOUSDKG-AOOOYVTPSA-N 1 0 236.319 0.682 20 30 BCEDRO N#CCCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891768910 582718253 /nfs/dbraw/zinc/71/82/53/582718253.db2.gz HHHJJDQPFMSXRK-AOOOYVTPSA-N 1 0 222.292 0.436 20 30 BCEDRO N#CCCCNC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000891770456 582718456 /nfs/dbraw/zinc/71/84/56/582718456.db2.gz XCXLFWOKVASSQU-NXEZZACHSA-N 1 0 224.308 0.859 20 30 BCEDRO C#CCCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891847680 582729842 /nfs/dbraw/zinc/72/98/42/582729842.db2.gz COCZZPSIIZFBEP-VXGBXAGGSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCCCNC(=O)NCc1cc(N)cc[nH+]1 ZINC000891848650 582729846 /nfs/dbraw/zinc/72/98/46/582729846.db2.gz PCPRQXGCEJHVDN-UHFFFAOYSA-N 1 0 232.287 0.876 20 30 BCEDRO COC(=O)c1cc(C=NNC2=[NH+]C[C@@H](C)N2)c[nH]1 ZINC000779791475 582730624 /nfs/dbraw/zinc/73/06/24/582730624.db2.gz JNYRORUOVMRKKZ-SSDOTTSWSA-N 1 0 249.274 0.073 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)NCC1(C#N)CC1 ZINC000891875154 582733699 /nfs/dbraw/zinc/73/36/99/582733699.db2.gz LDFSEHHSXYNVSP-IUCAKERBSA-N 1 0 222.292 0.421 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@@H]([NH3+])C[C@@H]1C)C(C)C ZINC000891905607 582736227 /nfs/dbraw/zinc/73/62/27/582736227.db2.gz QRUATRSTUSOXIO-DCAQKATOSA-N 1 0 223.320 0.775 20 30 BCEDRO C=CCONC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000891944567 582742281 /nfs/dbraw/zinc/74/22/81/582742281.db2.gz OJOPWVVXFVAILR-GXSJLCMTSA-N 1 0 225.292 0.688 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H]2COC[C@@]2(C)C1 ZINC000855834882 588849685 /nfs/dbraw/zinc/84/96/85/588849685.db2.gz DFLWLRAHFCQFDY-DGCLKSJQSA-N 1 0 238.331 0.599 20 30 BCEDRO C=CCCNC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000892240346 582811755 /nfs/dbraw/zinc/81/17/55/582811755.db2.gz ZEKHORKJYIBAKO-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C[C@H](O)CNN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848409661 582766989 /nfs/dbraw/zinc/76/69/89/582766989.db2.gz CJYMBHDHLJVNJP-CMPLNLGQSA-N 1 0 225.336 0.961 20 30 BCEDRO C=CCC1(O)CCN(C(=O)NC[C@H](C)[NH3+])CC1 ZINC000892101045 582791573 /nfs/dbraw/zinc/79/15/73/582791573.db2.gz ATBFEDZLZQIZLN-JTQLQIEISA-N 1 0 241.335 0.446 20 30 BCEDRO C=C(CO)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000855899211 588852956 /nfs/dbraw/zinc/85/29/56/588852956.db2.gz IHPRGTUPNCMOBW-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CC(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000855898421 588853059 /nfs/dbraw/zinc/85/30/59/588853059.db2.gz NDJHXECUKYBJPS-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CCOC[C@H]1OC ZINC000849035321 582836282 /nfs/dbraw/zinc/83/62/82/582836282.db2.gz CPLCNEDXDNZCGW-VHSXEESVSA-N 1 0 227.308 0.338 20 30 BCEDRO CCNC(NCCc1cnc(C)cn1)=[NH+]CC ZINC000849038956 582838513 /nfs/dbraw/zinc/83/85/13/582838513.db2.gz ANIAQEZGLUIVTL-UHFFFAOYSA-N 1 0 235.335 0.903 20 30 BCEDRO CCNC(NC[C@@]1(C)CCC(=O)N1)=[NH+]CC ZINC000849039225 582838538 /nfs/dbraw/zinc/83/85/38/582838538.db2.gz OIZBDRDZIAQMAE-LLVKDONJSA-N 1 0 226.324 0.230 20 30 BCEDRO CCNC(NCc1nn(CC)nc1C)=[NH+]CC ZINC000849044220 582840664 /nfs/dbraw/zinc/84/06/64/582840664.db2.gz ABGVALQTPGJGKJ-UHFFFAOYSA-N 1 0 238.339 0.681 20 30 BCEDRO CCN1C[C@@H](C[NH+]=C(N(C)C)N(C)C)CC1=O ZINC000849048092 582841404 /nfs/dbraw/zinc/84/14/04/582841404.db2.gz BQPXSNOZDLNAPZ-SNVBAGLBSA-N 1 0 240.351 0.334 20 30 BCEDRO C#CCOCCC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000856073969 588859560 /nfs/dbraw/zinc/85/95/60/588859560.db2.gz YVDCIAZKASZMBF-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892551504 582911281 /nfs/dbraw/zinc/91/12/81/582911281.db2.gz JJVFVWSFRYCFLQ-AOOOYVTPSA-N 1 0 209.293 0.388 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892557209 582912633 /nfs/dbraw/zinc/91/26/33/582912633.db2.gz OFPRGMVJDLVUGA-GARJFASQSA-N 1 0 241.335 0.208 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892569910 582916658 /nfs/dbraw/zinc/91/66/58/582916658.db2.gz KHRBYBHZGHSWIP-XYPYZODXSA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C1(C)C ZINC000393843069 582929303 /nfs/dbraw/zinc/92/93/03/582929303.db2.gz KMNVYELCTFGABH-JLLWLGSASA-N 1 0 238.331 0.692 20 30 BCEDRO C#CCOCCNC(=O)C1CC[NH+](CC#C)CC1 ZINC000784601345 583021679 /nfs/dbraw/zinc/02/16/79/583021679.db2.gz UARDQNMOOUFDCJ-UHFFFAOYSA-N 1 0 248.326 0.098 20 30 BCEDRO C#CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856427900 588872525 /nfs/dbraw/zinc/87/25/25/588872525.db2.gz JJCZOJKEYQGIJA-LLVKDONJSA-N 1 0 224.304 0.189 20 30 BCEDRO CON=CC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000856488793 588874060 /nfs/dbraw/zinc/87/40/60/588874060.db2.gz DWUKCPLKHZQUJB-SECBINFHSA-N 1 0 213.281 0.075 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1cn(CC)nn1 ZINC000893281896 583084866 /nfs/dbraw/zinc/08/48/66/583084866.db2.gz AAWUZSQHLJESDM-JTQLQIEISA-N 1 0 224.308 0.572 20 30 BCEDRO C#CCCCNC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000893303288 583094627 /nfs/dbraw/zinc/09/46/27/583094627.db2.gz MPDYMXHKBKICLD-VXGBXAGGSA-N 1 0 235.331 0.745 20 30 BCEDRO Cc1cc(N)nc(N2CC[C@@](F)(C#N)C2)n1 ZINC000893410223 583139185 /nfs/dbraw/zinc/13/91/85/583139185.db2.gz ZGJYFTVHAOTKJO-SNVBAGLBSA-N 1 0 221.239 0.809 20 30 BCEDRO C[NH+](C)CCc1ccc(C(=O)NO)cc1 ZINC000856847294 588879262 /nfs/dbraw/zinc/87/92/62/588879262.db2.gz LXSZZSSRHNSBTJ-UHFFFAOYSA-N 1 0 208.261 0.910 20 30 BCEDRO CCC(=NNC1=[NH+]CCN1)c1ccco1 ZINC000841659491 583162599 /nfs/dbraw/zinc/16/25/99/583162599.db2.gz KYZSBGIMMUHUMF-UHFFFAOYSA-N 1 0 206.249 0.943 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H](C)COCCOC ZINC000893568388 583165294 /nfs/dbraw/zinc/16/52/94/583165294.db2.gz UXJDZQYLEBAAMK-MNOVXSKESA-N 1 0 217.309 0.565 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc(C)nc1C ZINC000841661242 583166163 /nfs/dbraw/zinc/16/61/63/583166163.db2.gz WMYJVENUIZDZBX-UHFFFAOYSA-N 1 0 231.303 0.971 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@@H]1CCCO1 ZINC000857102224 588887803 /nfs/dbraw/zinc/88/78/03/588887803.db2.gz ZKSFSPFBUXUVLT-AXFHLTTASA-N 1 0 239.319 0.204 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(c3cc(C#N)cnn3)[C@@H]2C1 ZINC000893933543 583251666 /nfs/dbraw/zinc/25/16/66/583251666.db2.gz AXIGYEOMNJSNKJ-GHMZBOCLSA-N 1 0 229.287 0.489 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(c3cc(C#N)cnn3)[C@H]2C1 ZINC000893933544 583251796 /nfs/dbraw/zinc/25/17/96/583251796.db2.gz AXIGYEOMNJSNKJ-MNOVXSKESA-N 1 0 229.287 0.489 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(c3ccc(C#N)nn3)[C@@H]2C1 ZINC000893934132 583252684 /nfs/dbraw/zinc/25/26/84/583252684.db2.gz FODGAIZMCCUBDH-MWLCHTKSSA-N 1 0 229.287 0.489 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(c3ccnc(C#N)n3)[C@@H]2C1 ZINC000893940325 583255055 /nfs/dbraw/zinc/25/50/55/583255055.db2.gz MQAQGKPKULHQPN-VHSXEESVSA-N 1 0 229.287 0.489 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NCC[C@H](C)[NH3+] ZINC000857111277 588889339 /nfs/dbraw/zinc/88/93/39/588889339.db2.gz IHRCDQFEGXEGPI-UWVGGRQHSA-N 1 0 229.324 0.208 20 30 BCEDRO C[C@H](C#N)CNC(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000894108063 583307279 /nfs/dbraw/zinc/30/72/79/583307279.db2.gz POCRHLKEUJRWPS-MNOVXSKESA-N 1 0 238.335 0.882 20 30 BCEDRO C=C(CO)C(=O)N(CCC)CC[NH+]1CCCC1 ZINC000804441455 583313640 /nfs/dbraw/zinc/31/36/40/583313640.db2.gz CKRKDFQWFNVYFY-UHFFFAOYSA-N 1 0 240.347 0.869 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CN2CCC2=O)C1 ZINC000857236178 588900148 /nfs/dbraw/zinc/90/01/48/588900148.db2.gz CYZIIWQRRMOXHH-NSHDSACASA-N 1 0 206.289 0.912 20 30 BCEDRO COC(=O)NCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857236562 588900570 /nfs/dbraw/zinc/90/05/70/588900570.db2.gz HFAZEJFGJVBWJL-VIFPVBQESA-N 1 0 243.307 0.233 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857243086 588900688 /nfs/dbraw/zinc/90/06/88/588900688.db2.gz VPXBBEUJNAHHKR-VXGBXAGGSA-N 1 0 238.331 0.651 20 30 BCEDRO C#CCCCCC[N@H+]1CC[C@@H](S(N)(=O)=O)C1 ZINC000878300539 583369188 /nfs/dbraw/zinc/36/91/88/583369188.db2.gz KIFVGFVSNWCWPK-LLVKDONJSA-N 1 0 244.360 0.543 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000878340698 583370876 /nfs/dbraw/zinc/37/08/76/583370876.db2.gz UELIWGZXJDPTHJ-WDEREUQCSA-N 1 0 246.376 0.965 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000894272660 583403569 /nfs/dbraw/zinc/40/35/69/583403569.db2.gz ZVLJYIWEDLSNLG-NEPJUHHUSA-N 1 0 235.331 0.745 20 30 BCEDRO CC(=O)Nc1ccc(C=NNC(N)=[NH2+])cc1 ZINC000017285674 583409878 /nfs/dbraw/zinc/40/98/78/583409878.db2.gz XQMLIGODZVLSJZ-UHFFFAOYSA-N 1 0 219.248 0.462 20 30 BCEDRO CC#CC[C@H](CO)Nc1cc[nH+]cc1CO ZINC000894367161 583439206 /nfs/dbraw/zinc/43/92/06/583439206.db2.gz PYGCSOIWVGZAEV-LLVKDONJSA-N 1 0 220.272 0.182 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000894384850 583443417 /nfs/dbraw/zinc/44/34/17/583443417.db2.gz XFKJEWUUJYXHBG-VIFPVBQESA-N 1 0 219.288 0.604 20 30 BCEDRO C#C[C@H](CC)[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000894387599 583444295 /nfs/dbraw/zinc/44/42/95/583444295.db2.gz QPSMIRBVMNTVGQ-HBNTYKKESA-N 1 0 229.345 0.811 20 30 BCEDRO C=C(C)CNC(=S)NCC[N@@H+](C)CCOC ZINC000726907997 583451771 /nfs/dbraw/zinc/45/17/71/583451771.db2.gz SRDUJRWDWVMZIC-UHFFFAOYSA-N 1 0 245.392 0.605 20 30 BCEDRO CC[C@@H](C#N)C(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000879992739 583453207 /nfs/dbraw/zinc/45/32/07/583453207.db2.gz SHLUOJXTULTXRB-WDEREUQCSA-N 1 0 239.319 0.109 20 30 BCEDRO C[N@H+](CCC(N)=O)Cc1csc(C#N)c1 ZINC000894430994 583458155 /nfs/dbraw/zinc/45/81/55/583458155.db2.gz BSZILVFJSCBDBB-UHFFFAOYSA-N 1 0 223.301 0.927 20 30 BCEDRO COC(=O)[C@H]1[C@H](C[NH2+]CCCC#N)C1(F)F ZINC000894446046 583460936 /nfs/dbraw/zinc/46/09/36/583460936.db2.gz WYWXVVUFHZSUSI-JGVFFNPUSA-N 1 0 232.230 0.934 20 30 BCEDRO C#CCC(CC#C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000857315829 588905727 /nfs/dbraw/zinc/90/57/27/588905727.db2.gz FVBXLVJNZOWTHX-UHFFFAOYSA-N 1 0 232.327 0.669 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)NCC3(C#N)CC3)[C@H]2C1 ZINC000894568384 583484866 /nfs/dbraw/zinc/48/48/66/583484866.db2.gz BSXTYEHIBPLMQB-MNOVXSKESA-N 1 0 248.330 0.636 20 30 BCEDRO Cc1cc(C#N)nc(NCC[N@@H+]2CC[C@@H](O)C2)c1 ZINC000894780795 583520148 /nfs/dbraw/zinc/52/01/48/583520148.db2.gz KUKSZOZYEIDOKM-GFCCVEGCSA-N 1 0 246.314 0.740 20 30 BCEDRO C#CC[C@@H](CCOC)Nc1cc[nH+]cc1CO ZINC000894828584 583527303 /nfs/dbraw/zinc/52/73/03/583527303.db2.gz QQCGEHOOADCNFX-LBPRGKRZSA-N 1 0 234.299 0.836 20 30 BCEDRO C#CC[C@@H](COC)Nc1cc[nH+]cc1CO ZINC000894830830 583527865 /nfs/dbraw/zinc/52/78/65/583527865.db2.gz UDJOYMOEJVSWJA-NSHDSACASA-N 1 0 220.272 0.446 20 30 BCEDRO C[C@@H](C#N)OCCn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000881323225 583550783 /nfs/dbraw/zinc/55/07/83/583550783.db2.gz DKZWGZBJNJQRQN-QWRGUYRKSA-N 1 0 249.318 0.674 20 30 BCEDRO CC1(C(N)=O)CN(Cc2csc(C#N)c2)C1 ZINC000895086622 583584766 /nfs/dbraw/zinc/58/47/66/583584766.db2.gz DIVGLYQTQLFFCE-UHFFFAOYSA-N 1 0 235.312 0.927 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H](C)Cc1cnccn1 ZINC000895097118 583588403 /nfs/dbraw/zinc/58/84/03/583588403.db2.gz DLNCQFVNTMGZDX-NWDGAFQWSA-N 1 0 233.315 0.772 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]CCC[C@@H]1CCO1 ZINC000895101092 583589214 /nfs/dbraw/zinc/58/92/14/583589214.db2.gz ZIJRPLFGCDFSBG-NWDGAFQWSA-N 1 0 211.305 0.919 20 30 BCEDRO C#CCOCCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000841873837 583589799 /nfs/dbraw/zinc/58/97/99/583589799.db2.gz ASSDMNKTXYGQKD-GHMZBOCLSA-N 1 0 239.319 0.028 20 30 BCEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)C[C@H](C)O1 ZINC000895158713 583608206 /nfs/dbraw/zinc/60/82/06/583608206.db2.gz NCLMFQLPNGUSCS-LMLFDSFASA-N 1 0 242.319 0.912 20 30 BCEDRO CC[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)CCO1 ZINC000895159705 583608667 /nfs/dbraw/zinc/60/86/67/583608667.db2.gz XQQFWYWQWHUOCB-GMTAPVOTSA-N 1 0 242.319 0.914 20 30 BCEDRO C[C@@H]1COCC[C@H]1[NH2+][C@H]1CCCN(O)C1=O ZINC000895158994 583608892 /nfs/dbraw/zinc/60/88/92/583608892.db2.gz BEMCOTNKQTUDRY-BBBLOLIVSA-N 1 0 228.292 0.381 20 30 BCEDRO O=C1[C@H]([NH2+][C@@H]2CCCOCC2)CCCN1O ZINC000895159520 583609021 /nfs/dbraw/zinc/60/90/21/583609021.db2.gz HEIBGWHWJQUJFS-NXEZZACHSA-N 1 0 228.292 0.525 20 30 BCEDRO C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@H]1CC1(F)F ZINC000895159893 583609182 /nfs/dbraw/zinc/60/91/82/583609182.db2.gz YPUHGALIAZQMSB-RNJXMRFFSA-N 1 0 234.246 1.000 20 30 BCEDRO CC(C)OC1CC([NH2+][C@@H]2CCCN(O)C2=O)C1 ZINC000895160944 583609469 /nfs/dbraw/zinc/60/94/69/583609469.db2.gz PXRLUIODKZCHRS-VQXHTEKXSA-N 1 0 242.319 0.912 20 30 BCEDRO O=C1[C@@H]([NH2+][C@@H]2CCCOC2)CCCN1O ZINC000895160608 583609503 /nfs/dbraw/zinc/60/95/03/583609503.db2.gz BUMHMLYXGXQBQL-BDAKNGLRSA-N 1 0 214.265 0.135 20 30 BCEDRO COC1(C[NH2+][C@@H]2CCCN(O)C2=O)CCCC1 ZINC000895160688 583609618 /nfs/dbraw/zinc/60/96/18/583609618.db2.gz ONHCMRTVYCZFCJ-SNVBAGLBSA-N 1 0 242.319 0.915 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@@H]1CCOC1 ZINC000895159792 583609745 /nfs/dbraw/zinc/60/97/45/583609745.db2.gz IEVZEUSMJXVPCA-IVZWLZJFSA-N 1 0 228.292 0.381 20 30 BCEDRO C[C@H](C[C@@H]1CCOC1)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895160995 583609768 /nfs/dbraw/zinc/60/97/68/583609768.db2.gz QFRXGRJDMPYHHS-OUAUKWLOSA-N 1 0 242.319 0.771 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@H]1CCCOC1 ZINC000895161409 583609922 /nfs/dbraw/zinc/60/99/22/583609922.db2.gz RGVYYXICXCCYBN-GARJFASQSA-N 1 0 242.319 0.771 20 30 BCEDRO C#CCC1(O)CCN(c2cc[nH+]cc2CO)CC1 ZINC000895160879 583609935 /nfs/dbraw/zinc/60/99/35/583609935.db2.gz NGPCOGSGHNLIOW-UHFFFAOYSA-N 1 0 246.310 0.929 20 30 BCEDRO C#CCC1(O)CCN(c2nc(N)cc(C)[nH+]2)CC1 ZINC000895160317 583610021 /nfs/dbraw/zinc/61/00/21/583610021.db2.gz FVEOBUWOICHOQE-UHFFFAOYSA-N 1 0 246.314 0.722 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)CCO1 ZINC000895161864 583610601 /nfs/dbraw/zinc/61/06/01/583610601.db2.gz IEOKKEKWPIFPHM-OPRDCNLKSA-N 1 0 228.292 0.524 20 30 BCEDRO Cn1ccc(C[NH2+][C@H]2CCCN(O)C2=O)c1 ZINC000895161355 583610633 /nfs/dbraw/zinc/61/06/33/583610633.db2.gz FXCHGYVXUULQJT-JTQLQIEISA-N 1 0 223.276 0.495 20 30 BCEDRO COCC[C@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895161825 583610638 /nfs/dbraw/zinc/61/06/38/583610638.db2.gz UUYOVYMJYNRUHH-DTWKUNHWSA-N 1 0 216.281 0.381 20 30 BCEDRO O=C1[C@@H]([NH2+][C@H]2COC3(CCC3)C2)CCCN1O ZINC000895193191 583622632 /nfs/dbraw/zinc/62/26/32/583622632.db2.gz MRMGTEYJEKKSDQ-ZJUUUORDSA-N 1 0 240.303 0.668 20 30 BCEDRO CSC1CC([NH2+][C@H]2CCCN(O)C2=O)C1 ZINC000895197580 583623796 /nfs/dbraw/zinc/62/37/96/583623796.db2.gz UMAKGGZDRBFOHV-HACHORDNSA-N 1 0 230.333 0.850 20 30 BCEDRO C=CCONC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000895247711 583632642 /nfs/dbraw/zinc/63/26/42/583632642.db2.gz ICWPQQYQAKXNDB-JTQLQIEISA-N 1 0 227.308 0.888 20 30 BCEDRO C#CCNC(=O)CSCC[NH+](C)C ZINC000113315467 583633104 /nfs/dbraw/zinc/63/31/04/583633104.db2.gz LFJJQSFANAZUTH-UHFFFAOYSA-N 1 0 200.307 0.031 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](OC)C1CCOCC1 ZINC000895340303 583654531 /nfs/dbraw/zinc/65/45/31/583654531.db2.gz OMTXRENODYEBQO-NEPJUHHUSA-N 1 0 229.320 0.565 20 30 BCEDRO C#C[C@@H]([NH2+][C@H](C)CCO)C1CCOCC1 ZINC000895436202 583674594 /nfs/dbraw/zinc/67/45/94/583674594.db2.gz QDCFOJQHCOUVIU-ZYHUDNBSSA-N 1 0 211.305 0.775 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)CCO)C1CCOCC1 ZINC000895436201 583674639 /nfs/dbraw/zinc/67/46/39/583674639.db2.gz QDCFOJQHCOUVIU-PWSUYJOCSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(Cl)nn1 ZINC000895490867 583680801 /nfs/dbraw/zinc/68/08/01/583680801.db2.gz UYAISCROTGMGDD-SECBINFHSA-N 1 0 225.679 0.604 20 30 BCEDRO C#CCSCC(=O)NC1CC[NH+](CC)CC1 ZINC000895560913 583691431 /nfs/dbraw/zinc/69/14/31/583691431.db2.gz KGZLPDIIORGECC-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO C=C[C@H](C)ONC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000895577937 583693627 /nfs/dbraw/zinc/69/36/27/583693627.db2.gz CVOIZLVDXQJDKV-GARJFASQSA-N 1 0 239.319 0.838 20 30 BCEDRO NC(=O)[C@H]1C[C@H]([NH2+]CC#Cc2ccccc2)C1 ZINC000895592868 583695446 /nfs/dbraw/zinc/69/54/46/583695446.db2.gz XPJUPVNCHBQIJD-JOCQHMNTSA-N 1 0 228.295 0.892 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000895679570 583705103 /nfs/dbraw/zinc/70/51/03/583705103.db2.gz QOFFGMUIIFQHBS-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000895679567 583705184 /nfs/dbraw/zinc/70/51/84/583705184.db2.gz QOFFGMUIIFQHBS-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@H](C)COC(C)=O ZINC000895672693 583706932 /nfs/dbraw/zinc/70/69/32/583706932.db2.gz URMULEUTUDUIDN-KOLCDFICSA-N 1 0 213.277 0.566 20 30 BCEDRO COC(=O)[C@]1(O)CC[N@H+](C[C@@H](C)CCC#N)C1 ZINC000895704795 583710453 /nfs/dbraw/zinc/71/04/53/583710453.db2.gz YNAOIVGSEMKAAZ-JQWIXIFHSA-N 1 0 240.303 0.536 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CCNC(=O)CC2)C1 ZINC000895747731 583716525 /nfs/dbraw/zinc/71/65/25/583716525.db2.gz JIULWWHYRMLXOW-OLZOCXBDSA-N 1 0 249.358 0.342 20 30 BCEDRO C[C@@H](C#N)OCCN1CCc2cnc(N)nc2C1 ZINC000857924952 588924602 /nfs/dbraw/zinc/92/46/02/588924602.db2.gz YRSPTEKPKFTRMN-VIFPVBQESA-N 1 0 247.302 0.346 20 30 BCEDRO C#CCSCC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000895795269 583730368 /nfs/dbraw/zinc/73/03/68/583730368.db2.gz UOHJPEWVEYSWMX-LLVKDONJSA-N 1 0 240.372 0.809 20 30 BCEDRO C#CC[NH+]1CCC(Nc2cc(=O)[nH]cn2)CC1 ZINC000895810823 583730506 /nfs/dbraw/zinc/73/05/06/583730506.db2.gz KWAYQEBBCQYSAB-UHFFFAOYSA-N 1 0 232.287 0.692 20 30 BCEDRO C#CCSCC(=O)NCCNc1cc[nH+]cc1 ZINC000895799602 583730836 /nfs/dbraw/zinc/73/08/36/583730836.db2.gz VMOMBSPUHKJYHA-UHFFFAOYSA-N 1 0 249.339 0.398 20 30 BCEDRO C#CCSCC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000895816632 583733877 /nfs/dbraw/zinc/73/38/77/583733877.db2.gz BXUUISSCAFVEQI-SNVBAGLBSA-N 1 0 226.345 0.421 20 30 BCEDRO C#CCSCC(=O)NC[C@H]1CCC[N@H+]1C ZINC000895883124 583738501 /nfs/dbraw/zinc/73/85/01/583738501.db2.gz BUTKVFYCYJUOMW-SNVBAGLBSA-N 1 0 226.345 0.563 20 30 BCEDRO N#Cc1cnn(C(=O)[C@@]23CC[N@H+](C2)CCC3)c1N ZINC000895886739 583739140 /nfs/dbraw/zinc/73/91/40/583739140.db2.gz WTIQAEMCXROGDS-LBPRGKRZSA-N 1 0 245.286 0.463 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)COCCOC ZINC000895964937 583753937 /nfs/dbraw/zinc/75/39/37/583753937.db2.gz QHVWFODDASWFHA-QWRGUYRKSA-N 1 0 215.293 0.012 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000895964909 583754070 /nfs/dbraw/zinc/75/40/70/583754070.db2.gz PXPQOIDAFKKYFD-QWRGUYRKSA-N 1 0 209.289 0.672 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)COCCOC ZINC000895964935 583754092 /nfs/dbraw/zinc/75/40/92/583754092.db2.gz QHVWFODDASWFHA-GHMZBOCLSA-N 1 0 215.293 0.012 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cn(CC)nn2)C1 ZINC000896042433 583766678 /nfs/dbraw/zinc/76/66/78/583766678.db2.gz DFBUEWWRCSMZKD-LBPRGKRZSA-N 1 0 247.346 0.485 20 30 BCEDRO C#CCSCC(=O)NCC[N@@H+](C)C(C)C ZINC000896073019 583768819 /nfs/dbraw/zinc/76/88/19/583768819.db2.gz LXFYXLKCWYMQCX-UHFFFAOYSA-N 1 0 228.361 0.809 20 30 BCEDRO CCO[C@H](CNc1cncc(C#N)n1)C[NH+](C)C ZINC000896114111 583772014 /nfs/dbraw/zinc/77/20/14/583772014.db2.gz WUNKXFLLTXPMSB-LLVKDONJSA-N 1 0 249.318 0.727 20 30 BCEDRO C#CCSCC(=O)N(C)CC[NH+]1CCCC1 ZINC000896155268 583775943 /nfs/dbraw/zinc/77/59/43/583775943.db2.gz NBAGBDQHOHISAQ-UHFFFAOYSA-N 1 0 240.372 0.907 20 30 BCEDRO NC(=[NH2+])N=NC1CCC2(CCCO2)CC1 ZINC000788016255 583775983 /nfs/dbraw/zinc/77/59/83/583775983.db2.gz RVDQCOFDWKHGGS-UHFFFAOYSA-N 1 0 210.281 0.949 20 30 BCEDRO C#CCSCC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000896268108 583787890 /nfs/dbraw/zinc/78/78/90/583787890.db2.gz UZGIJORHUKIXBQ-LLVKDONJSA-N 1 0 240.372 0.811 20 30 BCEDRO C#CCCNC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000896348022 583795734 /nfs/dbraw/zinc/79/57/34/583795734.db2.gz UNTKBTCPQAXBEE-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[C@H](C)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896413759 583801058 /nfs/dbraw/zinc/80/10/58/583801058.db2.gz HTXFUKDFTYFERN-CMPLNLGQSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCCC(=O)N[C@H](C)[C@@H]1C[N@H+](C)CCN1C ZINC000896564059 583812541 /nfs/dbraw/zinc/81/25/41/583812541.db2.gz NPKOZVABKWLZML-NEPJUHHUSA-N 1 0 239.363 0.703 20 30 BCEDRO CO[N-]C(=O)C[NH2+][C@H](C)CC(C)(C)C#N ZINC000896923825 583858706 /nfs/dbraw/zinc/85/87/06/583858706.db2.gz IYZPZWNDJXNVEH-MRVPVSSYSA-N 1 0 213.281 0.582 20 30 BCEDRO C#Cc1ccc(CNC(=O)N[C@@H](C)C[NH3+])cc1 ZINC000841907552 583865367 /nfs/dbraw/zinc/86/53/67/583865367.db2.gz BZKUEDKSOUYFPQ-JTQLQIEISA-N 1 0 231.299 0.814 20 30 BCEDRO C#CCNC(=O)CN(C)[C@H](CO)c1ccccc1 ZINC000728387353 583879049 /nfs/dbraw/zinc/87/90/49/583879049.db2.gz KGEZXDLYBMGASA-CYBMUJFWSA-N 1 0 246.310 0.401 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000897175473 583888046 /nfs/dbraw/zinc/88/80/46/583888046.db2.gz TVUIEHXXGOSXHZ-GFCCVEGCSA-N 1 0 232.327 0.954 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H]2[NH2+]CC[C@H]2C1 ZINC000841912937 583901546 /nfs/dbraw/zinc/90/15/46/583901546.db2.gz FKGNZVIVIKDHRH-UWVGGRQHSA-N 1 0 225.292 0.497 20 30 BCEDRO C[NH+](C)CCNC(=S)NCCCCC#N ZINC000728799514 583914067 /nfs/dbraw/zinc/91/40/67/583914067.db2.gz SNGDQBBEJMSRKU-UHFFFAOYSA-N 1 0 228.365 0.706 20 30 BCEDRO C[C@H](CC[NH3+])NC(=O)c1coc(C#N)c1 ZINC000870939431 583932061 /nfs/dbraw/zinc/93/20/61/583932061.db2.gz SZCNHWLSETUVHC-SSDOTTSWSA-N 1 0 207.233 0.618 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cc[nH]n1 ZINC000858334396 588946498 /nfs/dbraw/zinc/94/64/98/588946498.db2.gz WEKFCDUURHAHPE-JTQLQIEISA-N 1 0 207.277 0.928 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1cncnc1 ZINC000858333524 588946631 /nfs/dbraw/zinc/94/66/31/588946631.db2.gz JCMBKYBGKIFNSY-GFCCVEGCSA-N 1 0 219.288 0.995 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cnc2cnccn12 ZINC000858334968 588946708 /nfs/dbraw/zinc/94/67/08/588946708.db2.gz JEVBZMRZVVGMJG-LLVKDONJSA-N 1 0 244.298 0.857 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cnnn1CC ZINC000858335027 588946848 /nfs/dbraw/zinc/94/68/48/588946848.db2.gz UPGFVRPPPCRCIW-SNVBAGLBSA-N 1 0 222.292 0.426 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1[nH]ncc1C ZINC000858335167 588946997 /nfs/dbraw/zinc/94/69/97/588946997.db2.gz MOWWGSYKVCALEW-JTQLQIEISA-N 1 0 207.277 0.846 20 30 BCEDRO C#CCCNC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000897482030 583992293 /nfs/dbraw/zinc/99/22/93/583992293.db2.gz KXWAXGHRFLHXJB-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864461666 584007283 /nfs/dbraw/zinc/00/72/83/584007283.db2.gz FUNCPHNZDOWEFI-IUCAKERBSA-N 1 0 245.348 0.110 20 30 BCEDRO C#C[C@H](CC)NC(=O)NC[C@@H]1COCCN1C ZINC000858394804 588951011 /nfs/dbraw/zinc/95/10/11/588951011.db2.gz ATFXAXNCBKLPPJ-GHMZBOCLSA-N 1 0 239.319 0.028 20 30 BCEDRO C#CCSCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000897826325 584052065 /nfs/dbraw/zinc/05/20/65/584052065.db2.gz WWABMHKELHOWHA-WDEREUQCSA-N 1 0 238.356 0.515 20 30 BCEDRO C#CCSCC(=O)NCC1([NH+](C)C)CC1 ZINC000897990016 584072326 /nfs/dbraw/zinc/07/23/26/584072326.db2.gz VRWKGENGAHICQP-UHFFFAOYSA-N 1 0 226.345 0.563 20 30 BCEDRO Cn1nnnc1CCC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000898038832 584080041 /nfs/dbraw/zinc/08/00/41/584080041.db2.gz SCDIHIRSGGNAKW-UWVGGRQHSA-N 1 0 234.307 0.425 20 30 BCEDRO C[C@@H](C#N)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000898163289 584088300 /nfs/dbraw/zinc/08/83/00/584088300.db2.gz MNGZCLJSGGSANO-GARJFASQSA-N 1 0 221.304 0.556 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1C(=O)N1CCCC1 ZINC000730095044 584122954 /nfs/dbraw/zinc/12/29/54/584122954.db2.gz ZZAZDAUQPZMZBH-NSHDSACASA-N 1 0 206.289 0.706 20 30 BCEDRO C=CCOCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898609589 584146421 /nfs/dbraw/zinc/14/64/21/584146421.db2.gz ARFYFBIZTHVOII-UHFFFAOYSA-N 1 0 224.304 0.496 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CC[N@H+]1C(C)(C)C ZINC000898986949 584168632 /nfs/dbraw/zinc/16/86/32/584168632.db2.gz RKYDIMLEFFOGSY-ZJUUUORDSA-N 1 0 226.320 0.522 20 30 BCEDRO C#CC1(O)CCN(C(=O)[C@@H]2CCC[N@H+]2C)CC1 ZINC000899114608 584175926 /nfs/dbraw/zinc/17/59/26/584175926.db2.gz UURFUSADWIPOBG-NSHDSACASA-N 1 0 236.315 0.067 20 30 BCEDRO C=CCNC(=O)N1CCC[C@]12CC[NH2+]C2 ZINC000899248860 584187772 /nfs/dbraw/zinc/18/77/72/584187772.db2.gz RHXOLQPUWIXXNG-LLVKDONJSA-N 1 0 209.293 0.710 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]2CC[C@@]21C[NH3+] ZINC000899248068 584187909 /nfs/dbraw/zinc/18/79/09/584187909.db2.gz LTTWNQPKQQYUSG-MWLCHTKSSA-N 1 0 207.277 0.142 20 30 BCEDRO CNC(NCc1c(C)nc2ccccn21)=[NH+]C ZINC000899263855 584188202 /nfs/dbraw/zinc/18/82/02/584188202.db2.gz RULRDYQSQXNCMH-UHFFFAOYSA-N 1 0 231.303 0.938 20 30 BCEDRO CNC(NC[C@H]1CCC2(CCOCC2)O1)=[NH+]C ZINC000899261739 584190079 /nfs/dbraw/zinc/19/00/79/584190079.db2.gz AACICBSNPNBNFW-SNVBAGLBSA-N 1 0 241.335 0.509 20 30 BCEDRO CCNC(NCC[C@H]1CNC(=O)C1)=[NH+]CC ZINC000899262209 584190487 /nfs/dbraw/zinc/19/04/87/584190487.db2.gz HMHZVNZEHHWUTK-SECBINFHSA-N 1 0 226.324 0.088 20 30 BCEDRO CCNC(NC[C@H](O)c1ccnn1C)=[NH+]CC ZINC000899262864 584190576 /nfs/dbraw/zinc/19/05/76/584190576.db2.gz SUVAPBMQJDHDMD-JTQLQIEISA-N 1 0 239.323 0.029 20 30 BCEDRO C#CCCCCC(=O)NCC[N@H+](C)CCO ZINC000899736484 584231743 /nfs/dbraw/zinc/23/17/43/584231743.db2.gz GVWGLTLLLOWNNH-UHFFFAOYSA-N 1 0 226.320 0.220 20 30 BCEDRO C#CCCCCCC(=O)NCC[N@H+](C)CCO ZINC000899737733 584232422 /nfs/dbraw/zinc/23/24/22/584232422.db2.gz PDSKAMHCZJVWCV-UHFFFAOYSA-N 1 0 240.347 0.610 20 30 BCEDRO C=C1CCC(C(=O)NCC[N@H+](C)CCO)CC1 ZINC000899742391 584234908 /nfs/dbraw/zinc/23/49/08/584234908.db2.gz ZMAYSIWIJHLYLZ-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO C=CCC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000899890473 584245932 /nfs/dbraw/zinc/24/59/32/584245932.db2.gz DADFJCHHOJGHQA-SNVBAGLBSA-N 1 0 215.293 0.055 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2COC[C@@H]2CC)nn1 ZINC000899884506 584246818 /nfs/dbraw/zinc/24/68/18/584246818.db2.gz HBOSXRMXIKYVIH-CMPLNLGQSA-N 1 0 236.319 0.979 20 30 BCEDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000858580700 588968695 /nfs/dbraw/zinc/96/86/95/588968695.db2.gz ULHPRDAHXQMVET-IVZWLZJFSA-N 1 0 225.292 0.677 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCOC ZINC000899905291 584251369 /nfs/dbraw/zinc/25/13/69/584251369.db2.gz UMGXGELMSVJZTK-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO C#CCNC(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000899975608 584262819 /nfs/dbraw/zinc/26/28/19/584262819.db2.gz NWCAFBNTORVHCU-QWRGUYRKSA-N 1 0 206.289 0.753 20 30 BCEDRO COC(=O)c1ccc(SCC[NH3+])c(C#N)n1 ZINC000900022505 584267418 /nfs/dbraw/zinc/26/74/18/584267418.db2.gz UHTPURSUWHHXOY-UHFFFAOYSA-N 1 0 237.284 0.791 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC(C)(C)C(=O)OC ZINC000900169996 584281756 /nfs/dbraw/zinc/28/17/56/584281756.db2.gz CAHSNHKMXBBGRS-UHFFFAOYSA-N 1 0 242.319 0.562 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H]1COCCO1 ZINC000900292266 584291771 /nfs/dbraw/zinc/29/17/71/584291771.db2.gz USFPPLXXXHEGNR-NSHDSACASA-N 1 0 242.319 0.026 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1nc(C)no1 ZINC000900308130 584293419 /nfs/dbraw/zinc/29/34/19/584293419.db2.gz YKYAJJCLVZLVKY-UHFFFAOYSA-N 1 0 238.291 0.502 20 30 BCEDRO CCN(CC#N)C(=O)C[N@H+](C)C1CCC1 ZINC000900361343 584295758 /nfs/dbraw/zinc/29/57/58/584295758.db2.gz IWZAZVDDAIHRGX-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO C[C@@H](CC#N)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900433573 584309312 /nfs/dbraw/zinc/30/93/12/584309312.db2.gz OIFDHIIFOUJIBG-JTQLQIEISA-N 1 0 249.318 0.477 20 30 BCEDRO C[C@H](CC#N)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900433575 584309392 /nfs/dbraw/zinc/30/93/92/584309392.db2.gz OIFDHIIFOUJIBG-SNVBAGLBSA-N 1 0 249.318 0.477 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(n2cncn2)C1 ZINC000900528498 584322785 /nfs/dbraw/zinc/32/27/85/584322785.db2.gz LGCFNVVXSGZSSG-UHFFFAOYSA-N 1 0 249.318 0.169 20 30 BCEDRO C#CCCCCCCn1cc([C@H]([NH3+])CO)nn1 ZINC000900641571 584331752 /nfs/dbraw/zinc/33/17/52/584331752.db2.gz XZQOLRBISAMNIM-LLVKDONJSA-N 1 0 236.319 0.854 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](C)C#N ZINC000900651059 584336301 /nfs/dbraw/zinc/33/63/01/584336301.db2.gz UVDWQUUIPAOSOF-SECBINFHSA-N 1 0 209.293 0.770 20 30 BCEDRO C#CCC(CC#C)C(=O)NC[C@@H]1CC[N@H+]1C ZINC000900668175 584337479 /nfs/dbraw/zinc/33/74/79/584337479.db2.gz ZWGXPODYMJIGQD-LBPRGKRZSA-N 1 0 218.300 0.470 20 30 BCEDRO C#CC(C)(C)NC(=O)c1ccnn1CC[NH+](C)C ZINC000900703574 584343048 /nfs/dbraw/zinc/34/30/48/584343048.db2.gz NKLPDRAHJPZCLX-UHFFFAOYSA-N 1 0 248.330 0.586 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1cc(C)n[nH]1 ZINC000900708248 584343224 /nfs/dbraw/zinc/34/32/24/584343224.db2.gz HBPXJVAKAVVUSS-UHFFFAOYSA-N 1 0 236.319 0.842 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(C)[C@H](C)C1 ZINC000900847391 584356612 /nfs/dbraw/zinc/35/66/12/584356612.db2.gz OVFGXDFBDIPLHX-GFCCVEGCSA-N 1 0 239.363 0.657 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCc2n[nH]nc2C1 ZINC000900864857 584358886 /nfs/dbraw/zinc/35/88/86/584358886.db2.gz SNFJGHJBCURQOS-UHFFFAOYSA-N 1 0 249.318 0.197 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000900868176 584362897 /nfs/dbraw/zinc/36/28/97/584362897.db2.gz QZRCCRLXZBSKIE-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@](C)(O)C1CC1 ZINC000900898700 584363807 /nfs/dbraw/zinc/36/38/07/584363807.db2.gz AXEIVQXPMUGWGB-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H]1CCOC1 ZINC000900959168 584371193 /nfs/dbraw/zinc/37/11/93/584371193.db2.gz ODBXYTVJPICADG-LBPRGKRZSA-N 1 0 240.347 0.989 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000901050310 584378458 /nfs/dbraw/zinc/37/84/58/584378458.db2.gz ABHKJEVUCQIFAZ-NSHDSACASA-N 1 0 237.303 0.127 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC[C@H](O)CC ZINC000901090568 584383533 /nfs/dbraw/zinc/38/35/33/584383533.db2.gz AFJUOVIEKZDHLC-LLVKDONJSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CCO)C1CC1 ZINC000901095650 584384571 /nfs/dbraw/zinc/38/45/71/584384571.db2.gz YBWQBGRWPMSHJV-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO CC(=NNC(=S)N(C)C)c1c[nH]c(N)[nH+]1 ZINC000901186012 584393292 /nfs/dbraw/zinc/39/32/92/584393292.db2.gz VAFXMZGBSIZZID-UHFFFAOYSA-N 1 0 226.309 0.152 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCOC1 ZINC000901190320 584393709 /nfs/dbraw/zinc/39/37/09/584393709.db2.gz YBWBHJURXIDHGG-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCc2c[nH]nc2C1 ZINC000901177025 584396054 /nfs/dbraw/zinc/39/60/54/584396054.db2.gz QNLUSFUWHMPXCY-UHFFFAOYSA-N 1 0 248.330 0.802 20 30 BCEDRO C[C@@H]1CC2(CC(=NNC3=[NH+][C@@H](C)CN3)C2)CO1 ZINC000901216370 584401481 /nfs/dbraw/zinc/40/14/81/584401481.db2.gz QPRLQWYDJAYLMU-JIMHFIIXSA-N 1 0 236.319 0.869 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cn3ccnc3s2)N1 ZINC000901217329 584401941 /nfs/dbraw/zinc/40/19/41/584401941.db2.gz WQLSVFRUFFEKMI-SSDOTTSWSA-N 1 0 248.315 0.667 20 30 BCEDRO CCn1cnc(C=NNC2=[NH+]C[C@@H](C)N2)c1 ZINC000901216928 584402103 /nfs/dbraw/zinc/40/21/03/584402103.db2.gz TYANGSFBXQYKCV-MRVPVSSYSA-N 1 0 220.280 0.174 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1=NO[C@@H](C)C1 ZINC000901250091 584409645 /nfs/dbraw/zinc/40/96/45/584409645.db2.gz PTUUVTGQENGCBQ-VIFPVBQESA-N 1 0 225.292 0.733 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@H]1CO ZINC000901224515 584411960 /nfs/dbraw/zinc/41/19/60/584411960.db2.gz QATOSLILCZECHR-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C#CCCOC(=O)NC1CC[NH+](C)CC1 ZINC000858883338 588981731 /nfs/dbraw/zinc/98/17/31/588981731.db2.gz NNPRULSTRLLIEQ-UHFFFAOYSA-N 1 0 210.277 0.830 20 30 BCEDRO CCn1cc(C=NNc2cc[nH+]c(C)c2)nn1 ZINC000901268427 584418557 /nfs/dbraw/zinc/41/85/57/584418557.db2.gz ZZROKRYFUMJBBM-UHFFFAOYSA-N 1 0 230.275 0.869 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CO)C1CC1 ZINC000901294258 584423321 /nfs/dbraw/zinc/42/33/21/584423321.db2.gz HGEDYSFOJZHGRH-LLVKDONJSA-N 1 0 226.320 0.381 20 30 BCEDRO N#CCC[C@H](C#N)C[NH2+]CCO[C@@H]1CCOC1 ZINC000901616127 584470080 /nfs/dbraw/zinc/47/00/80/584470080.db2.gz KVDIQLCIICLIJC-VXGBXAGGSA-N 1 0 237.303 0.825 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CN2C[C@H]3C[C@H]3C2=O)C1 ZINC000902305150 584554477 /nfs/dbraw/zinc/55/44/77/584554477.db2.gz ILQNAVNUZBNPDE-IJLUTSLNSA-N 1 0 218.300 0.767 20 30 BCEDRO CO[C@@H]1CC[C@H]1N(C)Cn1cccc(C#N)c1=O ZINC000902639172 584649350 /nfs/dbraw/zinc/64/93/50/584649350.db2.gz OQHNXETXJLMGCR-VXGBXAGGSA-N 1 0 247.298 0.787 20 30 BCEDRO C[C@H](NC[C@@H](O)C[NH+](C)C)c1cc(C#N)ccn1 ZINC000902796933 584674481 /nfs/dbraw/zinc/67/44/81/584674481.db2.gz WXCSPEOFVATKFB-CMPLNLGQSA-N 1 0 248.330 0.526 20 30 BCEDRO C[C@H](NC[C@H](O)C[NH+](C)C)c1cc(C#N)ccn1 ZINC000902796934 584674849 /nfs/dbraw/zinc/67/48/49/584674849.db2.gz WXCSPEOFVATKFB-JQWIXIFHSA-N 1 0 248.330 0.526 20 30 BCEDRO C=C(C)C[NH+]1CCC(NC(=O)CCO)CC1 ZINC000902852973 584678732 /nfs/dbraw/zinc/67/87/32/584678732.db2.gz CFSBWKKWAQYQEJ-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C[C@H]1[C@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C ZINC000902927441 584697677 /nfs/dbraw/zinc/69/76/77/584697677.db2.gz HGSNDWANDZJDFY-WCBMZHEXSA-N 1 0 232.287 0.709 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)cn2C)CC[N@@H+]1C ZINC000902927097 584697801 /nfs/dbraw/zinc/69/78/01/584697801.db2.gz FOQFZTHWATXHQO-KOLCDFICSA-N 1 0 246.314 0.719 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C ZINC000902927442 584697845 /nfs/dbraw/zinc/69/78/45/584697845.db2.gz HGSNDWANDZJDFY-WPRPVWTQSA-N 1 0 232.287 0.709 20 30 BCEDRO C[C@H]1[C@H](NC(=O)c2cc(C#N)cn2C)CC[N@@H+]1C ZINC000902927096 584697977 /nfs/dbraw/zinc/69/79/77/584697977.db2.gz FOQFZTHWATXHQO-GXSJLCMTSA-N 1 0 246.314 0.719 20 30 BCEDRO C#CCC[NH+]1CCC(NS(=O)(=O)CC)CC1 ZINC000903008285 584717682 /nfs/dbraw/zinc/71/76/82/584717682.db2.gz IEJROORGSDMACH-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CCOC[C@H]1O)c1cc(C#N)ccn1 ZINC000903073479 584726244 /nfs/dbraw/zinc/72/62/44/584726244.db2.gz SDLUQHCVNWCCKM-UFGOTCBOSA-N 1 0 247.298 0.754 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCO[C@@]12CCOC2 ZINC000903132375 584730420 /nfs/dbraw/zinc/73/04/20/584730420.db2.gz PGSVKWILTFDAKI-YNEHKIRRSA-N 1 0 241.331 0.709 20 30 BCEDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccsc1C#N ZINC000903489807 584780463 /nfs/dbraw/zinc/78/04/63/584780463.db2.gz GBQWQMABWAPHHI-ZCFIWIBFSA-N 1 0 245.329 0.245 20 30 BCEDRO C[C@]1(C#N)CN(CC[C@@H]2CCC[NH2+]C2)CCO1 ZINC000903824368 584804439 /nfs/dbraw/zinc/80/44/39/584804439.db2.gz PPENPVJUGIIITF-STQMWFEESA-N 1 0 237.347 0.991 20 30 BCEDRO C[C@]1(C#N)CN(CC[C@@H]2CC[NH2+]C2)CCO1 ZINC000903825044 584804493 /nfs/dbraw/zinc/80/44/93/584804493.db2.gz XJWWTEOJZVAQMU-RYUDHWBXSA-N 1 0 223.320 0.600 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]2CC[C@@]21C[NH3+] ZINC000903856858 584810227 /nfs/dbraw/zinc/81/02/27/584810227.db2.gz STQOCZFFPFZIES-CMPLNLGQSA-N 1 0 223.320 0.102 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CC[C@@]32CN)C1=O ZINC000903861004 584812687 /nfs/dbraw/zinc/81/26/87/584812687.db2.gz VHESNFLNVZBLIN-SGMGOOAPSA-N 1 0 249.358 0.587 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@]23CC[NH2+]C3)C1=O ZINC000903870580 584814394 /nfs/dbraw/zinc/81/43/94/584814394.db2.gz NTBODWVKXUHHEY-GXTWGEPZSA-N 1 0 249.358 0.601 20 30 BCEDRO N#Cc1cccc(CN2CCC[C@@]([NH3+])(CO)C2)c1 ZINC000904407035 584878308 /nfs/dbraw/zinc/87/83/08/584878308.db2.gz LWHGOEFAJMUQLS-AWEZNQCLSA-N 1 0 245.326 0.844 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCc1cc[nH]n1 ZINC000730276532 584898741 /nfs/dbraw/zinc/89/87/41/584898741.db2.gz MXPFGDZNTUAVTC-NSHDSACASA-N 1 0 232.287 0.124 20 30 BCEDRO C=CCNC(=S)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000730734223 584914624 /nfs/dbraw/zinc/91/46/24/584914624.db2.gz RUWURCKAQCKYCS-SNVBAGLBSA-N 1 0 243.376 0.357 20 30 BCEDRO CCCC[N@H+](CCOC)CC(=O)NCCC#N ZINC000731667607 584928137 /nfs/dbraw/zinc/92/81/37/584928137.db2.gz SKGMKVSCEGEBHO-UHFFFAOYSA-N 1 0 241.335 0.765 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)Nc1cnoc1 ZINC000732068973 584933259 /nfs/dbraw/zinc/93/32/59/584933259.db2.gz XSHFHFYMGVMFGH-JTQLQIEISA-N 1 0 219.244 0.711 20 30 BCEDRO CC(C)NC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884043343 584940558 /nfs/dbraw/zinc/94/05/58/584940558.db2.gz UHFIDOJXLXTXHO-YZRBJQDESA-N 1 0 221.304 0.650 20 30 BCEDRO C=CC[C@H](C)NC(=S)NCC[NH+](C)C ZINC000734985102 584971042 /nfs/dbraw/zinc/97/10/42/584971042.db2.gz AMGAGELLPKLMBN-VIFPVBQESA-N 1 0 215.366 0.977 20 30 BCEDRO c1cnnc(N=NC2C[NH+]3CCC2CC3)c1 ZINC000735976160 584985637 /nfs/dbraw/zinc/98/56/37/584985637.db2.gz DRCBZRTVFKFWIN-UHFFFAOYSA-N 1 0 217.276 0.970 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)[C@H]1CC[N@H+](C)C[C@@H]1C ZINC000820427544 585013542 /nfs/dbraw/zinc/01/35/42/585013542.db2.gz IKGHTCVPASIYHZ-SRVKXCTJSA-N 1 0 237.347 0.990 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000890067905 585020593 /nfs/dbraw/zinc/02/05/93/585020593.db2.gz YQIUELCDUDTFOR-CYBMUJFWSA-N 1 0 247.342 0.749 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000773593498 585023441 /nfs/dbraw/zinc/02/34/41/585023441.db2.gz SZYNASUPBDDUFK-NHCYSSNCSA-N 1 0 235.331 0.790 20 30 BCEDRO CO[C@](C)(C=NNC1=[NH+][C@H](C)CN1)C1CC1 ZINC000814898590 585023629 /nfs/dbraw/zinc/02/36/29/585023629.db2.gz UTAADPNKZKVGIR-LDYMZIIASA-N 1 0 224.308 0.725 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)NCc1ccccc1 ZINC000841507140 585040830 /nfs/dbraw/zinc/04/08/30/585040830.db2.gz VVCQJICMOJFRTN-NWDGAFQWSA-N 1 0 244.298 0.597 20 30 BCEDRO CCCCC(N)=[NH+]OCCCS(C)(=O)=O ZINC000103136147 585061783 /nfs/dbraw/zinc/06/17/83/585061783.db2.gz MAHLRSLBGKSMMM-UHFFFAOYSA-N 1 0 236.337 0.900 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N1CC[C@H]1C ZINC000838624224 585063965 /nfs/dbraw/zinc/06/39/65/585063965.db2.gz NFGXFVVGRXJCAE-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO C=CCONC(=O)NCC[N@@H+](CC)C1CC1 ZINC000838706849 585065587 /nfs/dbraw/zinc/06/55/87/585065587.db2.gz DAXQEIVZPKRRCR-UHFFFAOYSA-N 1 0 227.308 0.888 20 30 BCEDRO C=CC[N@@H+](CCN1C(=O)N[C@@H](C)C1=O)C(C)C ZINC000838794144 585068688 /nfs/dbraw/zinc/06/86/88/585068688.db2.gz USGKNSSGBXZAEI-JTQLQIEISA-N 1 0 239.319 0.823 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1cnn(CC)n1 ZINC000838984655 585084392 /nfs/dbraw/zinc/08/43/92/585084392.db2.gz NDAZFIWYPCXIQC-SNVBAGLBSA-N 1 0 224.308 0.572 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000839190980 585097418 /nfs/dbraw/zinc/09/74/18/585097418.db2.gz MEUTZIQIHARNIK-MNOVXSKESA-N 1 0 236.315 0.283 20 30 BCEDRO C#CCSCCNC(=O)NCCC[NH+](C)C ZINC000740464517 585102048 /nfs/dbraw/zinc/10/20/48/585102048.db2.gz IFHXSXQGPGBHHK-UHFFFAOYSA-N 1 0 243.376 0.604 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)[C@H](C)OC)CC1 ZINC000740737898 585106089 /nfs/dbraw/zinc/10/60/89/585106089.db2.gz YWZXTFRCIOEGNE-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CO[C@H](C)C2)C1 ZINC000886208909 585113035 /nfs/dbraw/zinc/11/30/35/585113035.db2.gz ACGSTUMQAGPMMH-AGIUHOORSA-N 1 0 222.332 0.851 20 30 BCEDRO CCC(=NNC1=[NH+]C[C@@H](C)N1)c1cn[nH]c1 ZINC000789037159 585121887 /nfs/dbraw/zinc/12/18/87/585121887.db2.gz NAHWMCGEIARXNK-SSDOTTSWSA-N 1 0 220.280 0.461 20 30 BCEDRO C#CCCCNC(=S)NCCC[NH+](C)C ZINC000743012194 585132782 /nfs/dbraw/zinc/13/27/82/585132782.db2.gz YWCOBDWIIJFKCU-UHFFFAOYSA-N 1 0 227.377 0.816 20 30 BCEDRO CC1(C)C(N=NC(N)=[NH2+])[C@@H]2CCCO[C@@H]21 ZINC000743417218 585136601 /nfs/dbraw/zinc/13/66/01/585136601.db2.gz GFQDFSFGYDIAGD-XPUUQOCRSA-N 1 0 210.281 0.660 20 30 BCEDRO C[NH+]1CCC(C(=O)Nc2cnn(CC#N)c2)CC1 ZINC000746184739 585164728 /nfs/dbraw/zinc/16/47/28/585164728.db2.gz ZPEZNORMUWACTA-UHFFFAOYSA-N 1 0 247.302 0.687 20 30 BCEDRO C#CCCCNC(=O)CN1CC[NH+](CC)CC1 ZINC000746314127 585167470 /nfs/dbraw/zinc/16/74/70/585167470.db2.gz SWEHEQQTFXTRJB-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO C#CCNC(=O)CN1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000746462011 585168297 /nfs/dbraw/zinc/16/82/97/585168297.db2.gz JWQQDSORMIGBGN-GFCCVEGCSA-N 1 0 237.347 0.008 20 30 BCEDRO C=C(C)CN1CCN(CC[S@](C)=O)CC1 ZINC000746476902 585168370 /nfs/dbraw/zinc/16/83/70/585168370.db2.gz XHYKDFKLWLLQNZ-HNNXBMFYSA-N 1 0 230.377 0.559 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)C2=COCC2)CC1 ZINC000747402935 585178721 /nfs/dbraw/zinc/17/87/21/585178721.db2.gz UBCSIJDEEVBZJL-UHFFFAOYSA-N 1 0 248.326 0.895 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)OC)CC1 ZINC000747404385 585178844 /nfs/dbraw/zinc/17/88/44/585178844.db2.gz JKZLLEZKLYQWCY-UHFFFAOYSA-N 1 0 210.277 0.830 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@](C)(O)C1 ZINC000748507381 585193568 /nfs/dbraw/zinc/19/35/68/585193568.db2.gz GBQJBLVFMQUZIG-AAEUAGOBSA-N 1 0 236.315 0.067 20 30 BCEDRO CC[N@@H+]1CCC(=NN[C@H](C)CO)[C@H](C)C1 ZINC000749820942 585207095 /nfs/dbraw/zinc/20/70/95/585207095.db2.gz LNXLHXVKDKNQNM-NXEZZACHSA-N 1 0 213.325 0.675 20 30 BCEDRO CNC(NCCNc1ncccc1C#N)=[NH+]C ZINC000750544693 585217262 /nfs/dbraw/zinc/21/72/62/585217262.db2.gz SMXBLXGYEHQWLQ-UHFFFAOYSA-N 1 0 232.291 0.160 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccnc(N(C)C)n1 ZINC000752165590 585243321 /nfs/dbraw/zinc/24/33/21/585243321.db2.gz KUABEYBVUCYVSC-VIFPVBQESA-N 1 0 248.334 0.892 20 30 BCEDRO C#CCCN1CC[NH+]([C@H](CC)CO)CC1 ZINC000752858909 585250702 /nfs/dbraw/zinc/25/07/02/585250702.db2.gz ZWDLEYQXHSZVKU-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO C#CCOCCNC(=O)CCCC[NH+](C)C ZINC000753229608 585255664 /nfs/dbraw/zinc/25/56/64/585255664.db2.gz YEWIPJVHTHDDJI-UHFFFAOYSA-N 1 0 226.320 0.484 20 30 BCEDRO C(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ncc[nH]1 ZINC000753934239 585272077 /nfs/dbraw/zinc/27/20/77/585272077.db2.gz GZNPEIFRMAOFHB-DTORHVGOSA-N 1 0 232.291 0.604 20 30 BCEDRO C#CC(=O)N[C@@H](Cc1ccccc1)C[NH+](C)C ZINC000753949594 585273151 /nfs/dbraw/zinc/27/31/51/585273151.db2.gz COIPFSYYNJRIPD-ZDUSSCGKSA-N 1 0 230.311 0.909 20 30 BCEDRO C#CC(=O)NCC1CC[NH+](CCC)CC1 ZINC000753995312 585274548 /nfs/dbraw/zinc/27/45/48/585274548.db2.gz SJQQQCIMWMCTIV-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC(=O)N1CC[NH+](CC2CCOCC2)CC1 ZINC000754040883 585275890 /nfs/dbraw/zinc/27/58/90/585275890.db2.gz KMKXYICYYKTCFE-UHFFFAOYSA-N 1 0 236.315 0.190 20 30 BCEDRO C#CC(=O)N1CC[C@H](C[N@H+](C)CC2CC2)C1 ZINC000754060083 585276871 /nfs/dbraw/zinc/27/68/71/585276871.db2.gz NVFAPUBDMCOPKY-GFCCVEGCSA-N 1 0 220.316 0.810 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000754110271 585278684 /nfs/dbraw/zinc/27/86/84/585278684.db2.gz YUZVIMDXYJIXEB-JTQLQIEISA-N 1 0 230.333 0.153 20 30 BCEDRO CC[N@@H+]1CCN(CC(=O)NCCC#N)C[C@@H]1C ZINC000754372225 585283498 /nfs/dbraw/zinc/28/34/98/585283498.db2.gz AZULUCSIAQLAIR-NSHDSACASA-N 1 0 238.335 0.042 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]C[C@@H](C)N2)c(C)n1C ZINC000754960494 585292628 /nfs/dbraw/zinc/29/26/28/585292628.db2.gz DZCRNWUUKOXGRM-MRVPVSSYSA-N 1 0 233.319 0.913 20 30 BCEDRO C#CCOCCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000755843623 585308590 /nfs/dbraw/zinc/30/85/90/585308590.db2.gz YIMZTCFEHRYXDU-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C[C@H](CO)N=NC1C[N@@H+](C2CC2)C[C@@H]1C ZINC000755891475 585309330 /nfs/dbraw/zinc/30/93/30/585309330.db2.gz HAUFNEWSCYDVND-DTWKUNHWSA-N 1 0 211.309 0.427 20 30 BCEDRO C#CCOCCC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000755905513 585310054 /nfs/dbraw/zinc/31/00/54/585310054.db2.gz SOXIHMLPPWGIQE-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC(C)(C)C[C@H]1C ZINC000839660776 585334263 /nfs/dbraw/zinc/33/42/63/585334263.db2.gz OMRSXRKBPXKRIC-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO CN1CCN(N=Cc2cn3cccnc3n2)CC1 ZINC000757560153 585341858 /nfs/dbraw/zinc/34/18/58/585341858.db2.gz DOGOILNYQQLDLH-UHFFFAOYSA-N 1 0 244.302 0.311 20 30 BCEDRO CCOC(=O)[C@H]1CCC(N=NC(N)=[NH2+])C[C@H]1C ZINC000758097731 585349024 /nfs/dbraw/zinc/34/90/24/585349024.db2.gz HPXLZOLIXWASDB-APPZFPTMSA-N 1 0 240.307 0.825 20 30 BCEDRO C#CCNC(=S)NC1CC[NH+](CC)CC1 ZINC000758184813 585351255 /nfs/dbraw/zinc/35/12/55/585351255.db2.gz NTNBRXHHPGLORU-UHFFFAOYSA-N 1 0 225.361 0.568 20 30 BCEDRO C#CCNC(=S)NC[C@H](C)[NH+]1CCCC1 ZINC000758187421 585351438 /nfs/dbraw/zinc/35/14/38/585351438.db2.gz AICHUSLHPIKXJB-JTQLQIEISA-N 1 0 225.361 0.568 20 30 BCEDRO C#CCNC(=S)NC[C@@H](C)[NH+]1CCCCC1 ZINC000758203183 585351967 /nfs/dbraw/zinc/35/19/67/585351967.db2.gz JZRFJEMRUFSAPC-LLVKDONJSA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCNC(=S)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000758218383 585352107 /nfs/dbraw/zinc/35/21/07/585352107.db2.gz WQRWLIVGTUIFEK-NSHDSACASA-N 1 0 237.372 0.664 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000758248216 585352826 /nfs/dbraw/zinc/35/28/26/585352826.db2.gz UOSRUYWQPXQIGD-VHSXEESVSA-N 1 0 225.361 0.566 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc(N2CCCC2)nc1 ZINC000758355584 585354506 /nfs/dbraw/zinc/35/45/06/585354506.db2.gz WSXMBRMKRDYTFQ-UHFFFAOYSA-N 1 0 232.291 0.499 20 30 BCEDRO C[C@@H]1C[C@@H](O)C[C@H](C)[N@H+]1CC(=O)NCCC#N ZINC000759493250 585373831 /nfs/dbraw/zinc/37/38/31/585373831.db2.gz YBCSYHKSJJFWBO-JGPRNRPPSA-N 1 0 239.319 0.250 20 30 BCEDRO NC(=[NH2+])NN=Cc1cccc(-n2cccn2)c1 ZINC000760216365 585386698 /nfs/dbraw/zinc/38/66/98/585386698.db2.gz PRSPGQYOEGOHNK-UHFFFAOYSA-N 1 0 228.259 0.689 20 30 BCEDRO CCOC(=O)[C@@H]1CCC(N=NC(N)=[NH2+])[C@@H](C)C1 ZINC000761256006 585412988 /nfs/dbraw/zinc/41/29/88/585412988.db2.gz XLJGOTNNFHVDSL-JGVFFNPUSA-N 1 0 240.307 0.825 20 30 BCEDRO CCOC(=O)[C@@H]1CCC(N=NC(N)=[NH2+])[C@H](C)C1 ZINC000761256004 585413047 /nfs/dbraw/zinc/41/30/47/585413047.db2.gz XLJGOTNNFHVDSL-HTQZYQBOSA-N 1 0 240.307 0.825 20 30 BCEDRO Cn1cnc2cc(C=NNC(N)=[NH2+])ccc21 ZINC000761251154 585413071 /nfs/dbraw/zinc/41/30/71/585413071.db2.gz BAAFPCLJWPADPO-UHFFFAOYSA-N 1 0 216.248 0.390 20 30 BCEDRO C[C@@H]1CC(N=Nc2ncnc3[nH]cnc32)C[N@@H+]1C ZINC000761812415 585419344 /nfs/dbraw/zinc/41/93/44/585419344.db2.gz PJVDMWQNVBWULC-SSDOTTSWSA-N 1 0 245.290 0.845 20 30 BCEDRO CN1CCC(=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)C1=O ZINC000761828134 585419419 /nfs/dbraw/zinc/41/94/19/585419419.db2.gz LYPQPWRQCMRVMK-IUCAKERBSA-N 1 0 249.318 0.065 20 30 BCEDRO CN1CCC(=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)C1=O ZINC000761828133 585419621 /nfs/dbraw/zinc/41/96/21/585419621.db2.gz LYPQPWRQCMRVMK-DTORHVGOSA-N 1 0 249.318 0.065 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@H](CC)CC#N ZINC000762723757 585436444 /nfs/dbraw/zinc/43/64/44/585436444.db2.gz ZODZLATWBWENPJ-NEPJUHHUSA-N 1 0 233.315 0.892 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCN(CC)CC1 ZINC000763876618 585455936 /nfs/dbraw/zinc/45/59/36/585455936.db2.gz VRXUWCSMOPMGFB-UHFFFAOYSA-N 1 0 225.336 0.268 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCCOCC ZINC000763917617 585457004 /nfs/dbraw/zinc/45/70/04/585457004.db2.gz ADSBQIGCXWBKQJ-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO CC#CC(=O)NCCC[NH+]1C[C@H](C)O[C@@H](C)C1 ZINC000764058109 585459163 /nfs/dbraw/zinc/45/91/63/585459163.db2.gz PYTLOYIGCJKWIL-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccnc(C)n1 ZINC000764408299 585463889 /nfs/dbraw/zinc/46/38/89/585463889.db2.gz KBDSZJLTDPJLDJ-UHFFFAOYSA-N 1 0 234.303 0.519 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CCOC ZINC000764441791 585465635 /nfs/dbraw/zinc/46/56/35/585465635.db2.gz JOEMFPJVOVTGDC-UHFFFAOYSA-N 1 0 200.282 0.209 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@](C)(O)CC ZINC000764575344 585468223 /nfs/dbraw/zinc/46/82/23/585468223.db2.gz JYSXYMGKDRBBCQ-LLVKDONJSA-N 1 0 214.309 0.381 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)c1ccccc1 ZINC000764627973 585469453 /nfs/dbraw/zinc/46/94/53/585469453.db2.gz GBMXSEMBJNYONV-CYBMUJFWSA-N 1 0 248.326 0.954 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCOCC12CCC2 ZINC000764628671 585469527 /nfs/dbraw/zinc/46/95/27/585469527.db2.gz WHQUMQDNOWGXND-UHFFFAOYSA-N 1 0 238.331 0.886 20 30 BCEDRO C[C@H]1CC(=NNS(C)(=O)=O)CC[N@@H+]1C ZINC000764704017 585471595 /nfs/dbraw/zinc/47/15/95/585471595.db2.gz IZOJCVPBWAXIHO-ZETCQYMHSA-N 1 0 219.310 0.006 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NN1CCCCC1 ZINC000765239280 585482972 /nfs/dbraw/zinc/48/29/72/585482972.db2.gz OFAYWVSTTBQNES-LBPRGKRZSA-N 1 0 235.331 0.601 20 30 BCEDRO CC[C@@H](C(=O)Nc1cnn(CC#N)c1)[NH+](C)C ZINC000765342530 585483947 /nfs/dbraw/zinc/48/39/47/585483947.db2.gz HIEDIQMVFMMHLY-JTQLQIEISA-N 1 0 235.291 0.685 20 30 BCEDRO C[C@H]1CC(NC(=O)[C@@H]2CC[N@H+](C)C2)=NO1 ZINC000765384101 585484982 /nfs/dbraw/zinc/48/49/82/585484982.db2.gz LHCSJVLYFYGFDG-JGVFFNPUSA-N 1 0 211.265 0.177 20 30 BCEDRO CCc1cnccc1C(C)=NNC(N)=[NH2+] ZINC000765572640 585489991 /nfs/dbraw/zinc/48/99/91/585489991.db2.gz MFVRLAZMFCVGFX-UHFFFAOYSA-N 1 0 205.265 0.851 20 30 BCEDRO CCN(C[C@@H](C)C#N)[C@H]1CCC(=O)NC1=O ZINC000765966189 585494729 /nfs/dbraw/zinc/49/47/29/585494729.db2.gz USIDCHGTMAWPER-IUCAKERBSA-N 1 0 223.276 0.273 20 30 BCEDRO C#CCCC[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000766901096 585510405 /nfs/dbraw/zinc/51/04/05/585510405.db2.gz LFTTXGCRMJSNEZ-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000766918330 585511611 /nfs/dbraw/zinc/51/16/11/585511611.db2.gz JVFLSCLAYFFKMA-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CCCC[NH+]1CCN(C(C)(C)CO)CC1 ZINC000766922722 585511843 /nfs/dbraw/zinc/51/18/43/585511843.db2.gz XJAJDIDABXSRKL-UHFFFAOYSA-N 1 0 224.348 0.788 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CCOC(C)(C)C ZINC000767905491 585528293 /nfs/dbraw/zinc/52/82/93/585528293.db2.gz OXNCQLYFKDQVNT-NSHDSACASA-N 1 0 240.347 0.871 20 30 BCEDRO CN1C(=O)CN(N=C2CC[N@@H+]3CCC[C@@H]23)C1=O ZINC000768378190 585537552 /nfs/dbraw/zinc/53/75/52/585537552.db2.gz GSMIPBORRDNORT-VIFPVBQESA-N 1 0 236.275 0.105 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CC[C@@H]1CCS(=O)(=O)C1 ZINC000769961753 585567420 /nfs/dbraw/zinc/56/74/20/585567420.db2.gz NCXAERNEXOQIEU-WDEREUQCSA-N 1 0 229.345 0.765 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCn1ccccc1=O ZINC000769962207 585567535 /nfs/dbraw/zinc/56/75/35/585567535.db2.gz CDOHIZVUVBRLEX-NSHDSACASA-N 1 0 204.273 0.802 20 30 BCEDRO C#C[C@H](C)N(C)C[C@H](O)C[NH+]1CCCC1 ZINC000769961856 585567581 /nfs/dbraw/zinc/56/75/81/585567581.db2.gz OENTUYRNSWAZJM-RYUDHWBXSA-N 1 0 210.321 0.397 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)Cc1c(C)noc1C ZINC000770482782 585574898 /nfs/dbraw/zinc/57/48/98/585574898.db2.gz DHZRPGPJXYXTSB-UHFFFAOYSA-N 1 0 249.314 0.863 20 30 BCEDRO CC#CCOC(=O)[C@H]1CN(CC)CCO1 ZINC000805468448 585620405 /nfs/dbraw/zinc/62/04/05/585620405.db2.gz HCHRWGHTYMYZGM-SNVBAGLBSA-N 1 0 211.261 0.274 20 30 BCEDRO C#CCN1CCN(C(=O)N(C)CCC)CC1 ZINC000772867786 585625644 /nfs/dbraw/zinc/62/56/44/585625644.db2.gz OXUKUCBSROBRLJ-UHFFFAOYSA-N 1 0 223.320 0.699 20 30 BCEDRO C#C[C@@H](C)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000772972361 585628719 /nfs/dbraw/zinc/62/87/19/585628719.db2.gz GKQMMOBSRBGAQI-MNOVXSKESA-N 1 0 208.305 0.999 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000773596319 585641377 /nfs/dbraw/zinc/64/13/77/585641377.db2.gz AYEDJZBCSVQBND-HBNTYKKESA-N 1 0 223.320 0.790 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000773596289 585641414 /nfs/dbraw/zinc/64/14/14/585641414.db2.gz ADJGIHPWVRHMCU-PWSUYJOCSA-N 1 0 235.331 0.792 20 30 BCEDRO C=C(CO)C(=O)NCCC[NH+]1CCCCC1 ZINC000773727009 585642855 /nfs/dbraw/zinc/64/28/55/585642855.db2.gz KTGPOHQYEGRZBV-UHFFFAOYSA-N 1 0 226.320 0.527 20 30 BCEDRO CON=CC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000773876728 585645719 /nfs/dbraw/zinc/64/57/19/585645719.db2.gz BPQSXKNEBYUXTH-NSHDSACASA-N 1 0 239.319 0.705 20 30 BCEDRO CCCC[NH+]1CCC(NC(=O)C=NOC)CC1 ZINC000773955715 585646520 /nfs/dbraw/zinc/64/65/20/585646520.db2.gz MWJXKWBAKPGRKK-UHFFFAOYSA-N 1 0 241.335 0.999 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](CO)C[C@H](OCCOC)C1 ZINC000773965816 585647365 /nfs/dbraw/zinc/64/73/65/585647365.db2.gz UTNSYYHNHUUKRF-STQMWFEESA-N 1 0 241.331 0.356 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1ccnn1C ZINC000774158497 585652146 /nfs/dbraw/zinc/65/21/46/585652146.db2.gz NFMAIRJXIOKUIN-SNVBAGLBSA-N 1 0 234.303 0.210 20 30 BCEDRO C=CC[C@@H](CO)CNC(=S)NCC[NH+](C)C ZINC000774563693 585661168 /nfs/dbraw/zinc/66/11/68/585661168.db2.gz IEWFBMSOMACGKX-SNVBAGLBSA-N 1 0 245.392 0.197 20 30 BCEDRO C#C[C@@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1CCCO1 ZINC000775322353 585675737 /nfs/dbraw/zinc/67/57/37/585675737.db2.gz CCTWRVFSKOAAIU-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H](NC(=O)C[N@@H+](C)CCC)[C@H]1CCCO1 ZINC000775322354 585675769 /nfs/dbraw/zinc/67/57/69/585675769.db2.gz CCTWRVFSKOAAIU-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)c1cccc(C#N)c1 ZINC000775335168 585675926 /nfs/dbraw/zinc/67/59/26/585675926.db2.gz FNNWVMIEIPSZFE-NSHDSACASA-N 1 0 241.294 0.958 20 30 BCEDRO C#C[C@H]([NH2+]Cc1cnn(C)c1C)[C@H]1CCCO1 ZINC000775352960 585676619 /nfs/dbraw/zinc/67/66/19/585676619.db2.gz YTYGBVQTPSDVKR-QWHCGFSZSA-N 1 0 233.315 0.999 20 30 BCEDRO C#CCC[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000775564080 585679531 /nfs/dbraw/zinc/67/95/31/585679531.db2.gz MBKIUBOHPMPFMX-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)Cn1cccn1)[C@@H]1CCCO1 ZINC000775789137 585684830 /nfs/dbraw/zinc/68/48/30/585684830.db2.gz AXNGHXATUKNYOZ-AGIUHOORSA-N 1 0 249.314 0.014 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)CC1(O)CCC1)C1CC1 ZINC000859253327 589024314 /nfs/dbraw/zinc/02/43/14/589024314.db2.gz ZRQMJHXKKDINBO-LBPRGKRZSA-N 1 0 223.316 0.750 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)CC(=O)OCC)C1CC1 ZINC000859251688 589024322 /nfs/dbraw/zinc/02/43/22/589024322.db2.gz BSJYAVCIBMCOTE-LLVKDONJSA-N 1 0 225.288 0.398 20 30 BCEDRO C#CCCC[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000775985946 585688935 /nfs/dbraw/zinc/68/89/35/585688935.db2.gz ARYBTHILECEQSK-UHFFFAOYSA-N 1 0 247.346 0.644 20 30 BCEDRO CN(C)c1cc[nH+]cc1C=NN1C(=O)CNC1=O ZINC000776187083 585692194 /nfs/dbraw/zinc/69/21/94/585692194.db2.gz HHZAEUXETMLUMN-UHFFFAOYSA-N 1 0 247.258 0.033 20 30 BCEDRO COC[C@H](C)N=NC1CC[N@@H+]2CCC[C@H]12 ZINC000777894025 585722481 /nfs/dbraw/zinc/72/24/81/585722481.db2.gz FMHHGBLIHPLDRQ-GXSJLCMTSA-N 1 0 211.309 0.835 20 30 BCEDRO C=CCN1CCC([NH2+][C@@H](C)CCO)CC1 ZINC000779339346 585751423 /nfs/dbraw/zinc/75/14/23/585751423.db2.gz BQELDIHXXHCJMN-NSHDSACASA-N 1 0 212.337 0.997 20 30 BCEDRO CCOc1cccc(C=NNC2=[NH+]C[C@H](C)N2)n1 ZINC000779783310 585762910 /nfs/dbraw/zinc/76/29/10/585762910.db2.gz IPNQUIQBFMIVMH-VIFPVBQESA-N 1 0 247.302 0.752 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccncc1 ZINC000779791104 585763770 /nfs/dbraw/zinc/76/37/70/585763770.db2.gz FNUQZJZTIQSABX-MRVPVSSYSA-N 1 0 217.276 0.743 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cccc3c2OCO3)N1 ZINC000779792117 585763807 /nfs/dbraw/zinc/76/38/07/585763807.db2.gz OMPLXYTZXFZBFJ-QMMMGPOBSA-N 1 0 246.270 0.687 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc(C#N)o2)N1 ZINC000779792756 585763944 /nfs/dbraw/zinc/76/39/44/585763944.db2.gz TYHQAWRCPUIBQW-ZETCQYMHSA-N 1 0 217.232 0.422 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@@H]1CCOC1 ZINC000779795020 585764225 /nfs/dbraw/zinc/76/42/25/585764225.db2.gz OREQFOCPURGJKL-VXNVDRBHSA-N 1 0 210.281 0.336 20 30 BCEDRO Cc1ncsc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779794276 585764327 /nfs/dbraw/zinc/76/43/27/585764327.db2.gz GASNLSVWOGENEY-LURJTMIESA-N 1 0 223.305 0.723 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccccc2C#N)N1 ZINC000779795603 585764396 /nfs/dbraw/zinc/76/43/96/585764396.db2.gz WIXDBILAUGQXGP-VIFPVBQESA-N 1 0 227.271 0.829 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnn(C(C)(C)C)c2)N1 ZINC000779795328 585764400 /nfs/dbraw/zinc/76/44/00/585764400.db2.gz SENOSMLVQYBTEX-VIFPVBQESA-N 1 0 248.334 0.909 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCO[C@@H](C)C2)=[NH+]1 ZINC000779794510 585764432 /nfs/dbraw/zinc/76/44/32/585764432.db2.gz JMCNZGSODWTZQQ-SFYZADRCSA-N 1 0 210.281 0.479 20 30 BCEDRO Cc1ccoc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779795861 585764479 /nfs/dbraw/zinc/76/44/79/585764479.db2.gz ZHACTCUOUXJJDY-MRVPVSSYSA-N 1 0 206.249 0.859 20 30 BCEDRO C[C@@H]1CNC(NN=C2C[C@@H](C)N(C3CC3)C2)=[NH+]1 ZINC000779799562 585764622 /nfs/dbraw/zinc/76/46/22/585764622.db2.gz VKOBZGRGHZDPDO-RKDXNWHRSA-N 1 0 235.335 0.536 20 30 BCEDRO C[C@H]1CNC(NN=C2C[C@H](C)N(C3CC3)C2)=[NH+]1 ZINC000779799561 585764638 /nfs/dbraw/zinc/76/46/38/585764638.db2.gz VKOBZGRGHZDPDO-IUCAKERBSA-N 1 0 235.335 0.536 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cccc(C#N)c2)N1 ZINC000779800765 585764649 /nfs/dbraw/zinc/76/46/49/585764649.db2.gz PVYUBJWRIRXPBW-VIFPVBQESA-N 1 0 227.271 0.829 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnn3ccccc23)N1 ZINC000779801493 585764778 /nfs/dbraw/zinc/76/47/78/585764778.db2.gz UPIOUGTXRULUSR-VIFPVBQESA-N 1 0 242.286 0.606 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccncc1 ZINC000779811752 585766323 /nfs/dbraw/zinc/76/63/23/585766323.db2.gz TZABNQLUGJAFJV-VIFPVBQESA-N 1 0 204.277 0.853 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2c(Cl)cnn2C)N1 ZINC000780242950 585774477 /nfs/dbraw/zinc/77/44/77/585774477.db2.gz JYTQDQHFAOWVOR-ZCFIWIBFSA-N 1 0 240.698 0.345 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCCOCC=C ZINC000780752715 585784457 /nfs/dbraw/zinc/78/44/57/585784457.db2.gz RONMHZXUDJJKLB-LBPRGKRZSA-N 1 0 236.315 0.403 20 30 BCEDRO C#CCCN1CC[N@H+](CC(C)(C)O)[C@@H](C)C1 ZINC000782010252 585806695 /nfs/dbraw/zinc/80/66/95/585806695.db2.gz DTQRRRNZVANLIW-LBPRGKRZSA-N 1 0 224.348 0.787 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=C2COCc3ccccc32)N1 ZINC000782266725 585813365 /nfs/dbraw/zinc/81/33/65/585813365.db2.gz CSBNDNBEVFAXIF-VIFPVBQESA-N 1 0 244.298 0.858 20 30 BCEDRO COc1cc(C(C)=NNC2=[NH+]C[C@@H](C)N2)ccn1 ZINC000782267499 585813466 /nfs/dbraw/zinc/81/34/66/585813466.db2.gz JQRMTONZXNAYJO-MRVPVSSYSA-N 1 0 247.302 0.752 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@]1(C)CCCO1 ZINC000782266605 585813577 /nfs/dbraw/zinc/81/35/77/585813577.db2.gz BDDDXFYGAPEMDU-KCJUWKMLSA-N 1 0 224.308 0.869 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](c1cccnc1)C1CC1 ZINC000782529921 585819432 /nfs/dbraw/zinc/81/94/32/585819432.db2.gz CVBAVAQWWVENQB-CQSZACIVSA-N 1 0 243.310 0.872 20 30 BCEDRO C#CCCCNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000783650403 585839454 /nfs/dbraw/zinc/83/94/54/585839454.db2.gz PNARFULJTPJYGQ-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO C#C[C@H]([NH2+]Cc1ccnc(N)c1)[C@H]1CCCO1 ZINC000785814402 585881307 /nfs/dbraw/zinc/88/13/07/585881307.db2.gz NBGSCCTVGWTUAI-NWDGAFQWSA-N 1 0 231.299 0.934 20 30 BCEDRO C#CCNC(=O)C[NH2+]C(C)(C)C1CCOCC1 ZINC000786170283 585888309 /nfs/dbraw/zinc/88/83/09/585888309.db2.gz RNNUJMHIRSMBTN-UHFFFAOYSA-N 1 0 238.331 0.531 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000787324755 585906731 /nfs/dbraw/zinc/90/67/31/585906731.db2.gz MCNQZROMYRXMHP-AXFHLTTASA-N 1 0 227.304 0.807 20 30 BCEDRO N#CCCNC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000787371495 585908193 /nfs/dbraw/zinc/90/81/93/585908193.db2.gz KXMFJHNUFASOPF-LLVKDONJSA-N 1 0 236.319 0.780 20 30 BCEDRO C#CCOCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000787517049 585910755 /nfs/dbraw/zinc/91/07/55/585910755.db2.gz XRYQBHKGYYDOSC-GFCCVEGCSA-N 1 0 236.315 0.379 20 30 BCEDRO CNC(=S)NN=C1CCC[C@H]([NH+](C)C)C1 ZINC000788408735 585922628 /nfs/dbraw/zinc/92/26/28/585922628.db2.gz OHZIVIGVKFHRTN-VIFPVBQESA-N 1 0 228.365 0.941 20 30 BCEDRO C[C@@H]1CC(=NN[C@@H]2CCOC2)CC[N@@H+]1C ZINC000788444910 585923892 /nfs/dbraw/zinc/92/38/92/585923892.db2.gz FQERIDLCFDHBMQ-MWLCHTKSSA-N 1 0 211.309 0.835 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cc(C)nn1C ZINC000789036568 585934000 /nfs/dbraw/zinc/93/40/00/585934000.db2.gz GKXSQXQKBKXWSB-QMMMGPOBSA-N 1 0 234.307 0.390 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1C(=O)N(C)C(C)C ZINC000790504154 585965695 /nfs/dbraw/zinc/96/56/95/585965695.db2.gz BMAJSXPZIKDZNB-NSHDSACASA-N 1 0 208.305 0.951 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)C[C@H](O)CC(=O)OCC ZINC000859280038 589026927 /nfs/dbraw/zinc/02/69/27/589026927.db2.gz HWUXBJVWLXFZGB-SNVBAGLBSA-N 1 0 227.304 0.644 20 30 BCEDRO C=C(CO)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000791291358 585976033 /nfs/dbraw/zinc/97/60/33/585976033.db2.gz VPFDLLAUMKRGEG-UHFFFAOYSA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC(N)=O)CC(C)C ZINC000791314595 585977121 /nfs/dbraw/zinc/97/71/21/585977121.db2.gz VTGRQLRSILANHS-UHFFFAOYSA-N 1 0 241.335 0.074 20 30 BCEDRO C=C(CO)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000791327468 585977514 /nfs/dbraw/zinc/97/75/14/585977514.db2.gz LMZYDGFFDCEKKG-QWRGUYRKSA-N 1 0 224.304 0.278 20 30 BCEDRO C=C(CO)C(=O)NC[C@H](C)C[NH+]1CCCCC1 ZINC000791327806 585977563 /nfs/dbraw/zinc/97/75/63/585977563.db2.gz HMPYXHMDVWATFP-NSHDSACASA-N 1 0 240.347 0.773 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000791347709 585978314 /nfs/dbraw/zinc/97/83/14/585978314.db2.gz MHDQRZHLPZNYIE-LLVKDONJSA-N 1 0 224.304 0.232 20 30 BCEDRO C=C(CO)C(=O)NCC[N@@H+](C)C1CCCC1 ZINC000791354227 585978674 /nfs/dbraw/zinc/97/86/74/585978674.db2.gz XQAUMVUCEJZDEY-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C=C(CO)C(=O)N1CCC([NH+](C)C)CC1 ZINC000791359155 585978974 /nfs/dbraw/zinc/97/89/74/585978974.db2.gz FMWWQXDFCSHISX-UHFFFAOYSA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(CO)C(=O)NCC[N@H+]1CCCC[C@H]1CC ZINC000791364595 585979118 /nfs/dbraw/zinc/97/91/18/585979118.db2.gz VVJYPVFDKZGQCK-GFCCVEGCSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@H]1C ZINC000791370888 585979199 /nfs/dbraw/zinc/97/91/99/585979199.db2.gz SHKLEKMZJWQPBC-KOLCDFICSA-N 1 0 226.320 0.334 20 30 BCEDRO C#C[C@@H](C)[N@@H+](C)C[C@@H](O)CC(=O)OCC ZINC000859281616 589027227 /nfs/dbraw/zinc/02/72/27/589027227.db2.gz UAMPMKGVAAQSDV-ZJUUUORDSA-N 1 0 213.277 0.254 20 30 BCEDRO C=CCN(CCOC)C[C@@H](O)C[NH+]1CCCC1 ZINC000792406659 586000268 /nfs/dbraw/zinc/00/02/68/586000268.db2.gz JWXGFQDYUTXYFI-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO NC(=[NH2+])NN=Cc1cnnn1Cc1ccccc1 ZINC000792962279 586007726 /nfs/dbraw/zinc/00/77/26/586007726.db2.gz JILLENDYVLGTIN-UHFFFAOYSA-N 1 0 243.274 0.143 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCn2cncc2C1 ZINC000793513640 586021277 /nfs/dbraw/zinc/02/12/77/586021277.db2.gz CCCLGDSINOIRCZ-UHFFFAOYSA-N 1 0 234.303 0.343 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCc2nc[nH]c2C1 ZINC000793565890 586023294 /nfs/dbraw/zinc/02/32/94/586023294.db2.gz GDEQUDNPNJGCAI-JTQLQIEISA-N 1 0 248.330 0.501 20 30 BCEDRO Cn1cnc(C=NNC2=[NH+][C@@H]3CCCC[C@@H]3N2)c1 ZINC000794523261 586041769 /nfs/dbraw/zinc/04/17/69/586041769.db2.gz GGLSCKPTLBSKMT-PHIMTYICSA-N 1 0 246.318 0.614 20 30 BCEDRO N#CCCNC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000794575619 586044708 /nfs/dbraw/zinc/04/47/08/586044708.db2.gz DDRJGISTDFPSGZ-QWRGUYRKSA-N 1 0 239.319 0.157 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]CCO[C@@H](C)C#N ZINC000794576341 586044859 /nfs/dbraw/zinc/04/48/59/586044859.db2.gz JJMWCVYYPWKMPG-AXFHLTTASA-N 1 0 239.319 0.419 20 30 BCEDRO C#CC(C)(C)[N@H+](C)CCN1C(=O)CCC1=O ZINC000794578689 586045106 /nfs/dbraw/zinc/04/51/06/586045106.db2.gz HWJUOBJUGNGAMU-UHFFFAOYSA-N 1 0 222.288 0.479 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@@H](O)CC1(O)CCC1 ZINC000859282100 589027763 /nfs/dbraw/zinc/02/77/63/589027763.db2.gz ZZRQPRIJDBSSPA-MNOVXSKESA-N 1 0 211.305 0.606 20 30 BCEDRO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cn[nH]c1 ZINC000794857483 586051855 /nfs/dbraw/zinc/05/18/55/586051855.db2.gz IODQVFPRHXKPII-QWRGUYRKSA-N 1 0 246.318 0.994 20 30 BCEDRO COCc1cc(C=NNC2=[NH+]C[C@@H](C)N2)no1 ZINC000794926583 586055517 /nfs/dbraw/zinc/05/55/17/586055517.db2.gz BLXDZOOVYQVHSZ-SSDOTTSWSA-N 1 0 237.263 0.092 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@H](O)CC1(O)CCC1 ZINC000859282099 589028133 /nfs/dbraw/zinc/02/81/33/589028133.db2.gz ZZRQPRIJDBSSPA-GHMZBOCLSA-N 1 0 211.305 0.606 20 30 BCEDRO Cc1[nH]cnc1CN=Nc1cncnc1 ZINC000794976261 586060191 /nfs/dbraw/zinc/06/01/91/586060191.db2.gz HQGJIIGYCTXFJX-UHFFFAOYSA-N 1 0 202.221 0.954 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000795087728 586068634 /nfs/dbraw/zinc/06/86/34/586068634.db2.gz RIQYYUIKIZNMPT-LLVKDONJSA-N 1 0 229.345 0.766 20 30 BCEDRO CO[C@H]1C[C@@H]([N@H+](C)CC(=O)NCCC#N)C1 ZINC000796216152 586098941 /nfs/dbraw/zinc/09/89/41/586098941.db2.gz CDSZFTFHJHBFQH-AOOOYVTPSA-N 1 0 225.292 0.125 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@](C)(OC)CC1 ZINC000796500903 586105626 /nfs/dbraw/zinc/10/56/26/586105626.db2.gz RSCBOCMDUOKJRT-CYBMUJFWSA-N 1 0 238.331 0.627 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000843076376 586136331 /nfs/dbraw/zinc/13/63/31/586136331.db2.gz HGMQGYAZAPIMOA-ZYHUDNBSSA-N 1 0 240.278 0.781 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000843076365 586136453 /nfs/dbraw/zinc/13/64/53/586136453.db2.gz HGMQGYAZAPIMOA-CMPLNLGQSA-N 1 0 240.278 0.781 20 30 BCEDRO C#Cc1cncc(C(=O)N2CCC[N@@H+](C)CC2)c1 ZINC000798272531 586142023 /nfs/dbraw/zinc/14/20/23/586142023.db2.gz CLUMVGDMIZDLJO-UHFFFAOYSA-N 1 0 243.310 0.841 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@](C)(O)C1 ZINC000798303804 586142606 /nfs/dbraw/zinc/14/26/06/586142606.db2.gz VPJWYOKTIRVZEH-LLVKDONJSA-N 1 0 212.293 0.088 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000799073039 586155583 /nfs/dbraw/zinc/15/55/83/586155583.db2.gz ZPBKXSUIHFCLKP-NWDGAFQWSA-N 1 0 240.347 0.463 20 30 BCEDRO C[C@@H]1CC(=NNCC(C)(C)CO)CN1C ZINC000799114477 586157491 /nfs/dbraw/zinc/15/74/91/586157491.db2.gz DJFIFGQOFXJOBC-SECBINFHSA-N 1 0 213.325 0.675 20 30 BCEDRO CON(C)C(=O)CCN(C)C[C@H](C)C#N ZINC000799121356 586159328 /nfs/dbraw/zinc/15/93/28/586159328.db2.gz VUNGARTYQQTFAS-SECBINFHSA-N 1 0 213.281 0.488 20 30 BCEDRO C=C(C)C[N@@H+](C)CCC(=O)N(C)OC ZINC000799160429 586163385 /nfs/dbraw/zinc/16/33/85/586163385.db2.gz HXMZVLZXBABXNY-UHFFFAOYSA-N 1 0 200.282 0.904 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@@H]2CC[N@@H+](CC)C2)cn1 ZINC000839898515 586212959 /nfs/dbraw/zinc/21/29/59/586212959.db2.gz FSTRTHJCUYNGGC-CYBMUJFWSA-N 1 0 243.310 0.887 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@H]2CC[N@@H+](CC)C2)cn1 ZINC000839898516 586213297 /nfs/dbraw/zinc/21/32/97/586213297.db2.gz FSTRTHJCUYNGGC-ZDUSSCGKSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CCCC[N@H+]1CCN(C[C@@H](C)O)C[C@H]1C ZINC000800374496 586214041 /nfs/dbraw/zinc/21/40/41/586214041.db2.gz KTYFZVAAPPISEA-CHWSQXEVSA-N 1 0 224.348 0.787 20 30 BCEDRO CC#CC(=O)N1C[C@H](C)[N@H+](CC)C[C@H]1C ZINC000801180324 586245553 /nfs/dbraw/zinc/24/55/53/586245553.db2.gz VSXYQHCXXZHTIR-WDEREUQCSA-N 1 0 208.305 0.951 20 30 BCEDRO CC#CC(=O)N1CC[N@H+](CC(C)(C)O)C[C@@H]1C ZINC000801216195 586248499 /nfs/dbraw/zinc/24/84/99/586248499.db2.gz PQJYKSNEVILNOF-NSHDSACASA-N 1 0 238.331 0.313 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)CCN1CCOCC1 ZINC000801917439 586276368 /nfs/dbraw/zinc/27/63/68/586276368.db2.gz COECYOJLSDPSGG-LBPRGKRZSA-N 1 0 241.335 0.179 20 30 BCEDRO C[C@H](C#N)OCCN1CCN(C)C(=O)[C@H]1C ZINC000801943924 586281490 /nfs/dbraw/zinc/28/14/90/586281490.db2.gz BORLLQLIEQRMFC-NXEZZACHSA-N 1 0 225.292 0.078 20 30 BCEDRO COC[C@H]([NH2+]CCO[C@H](C)C#N)[C@H]1CCCO1 ZINC000801952282 586282197 /nfs/dbraw/zinc/28/21/97/586282197.db2.gz RIHWEQCGENAKND-GRYCIOLGSA-N 1 0 242.319 0.699 20 30 BCEDRO CON=CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804527072 586398275 /nfs/dbraw/zinc/39/82/75/586398275.db2.gz NYMRRQJXATVWKZ-WDEREUQCSA-N 1 0 239.319 0.704 20 30 BCEDRO C=C(C)CNC(=S)N[C@@H](C)C[NH+](C)C ZINC000806591468 586414882 /nfs/dbraw/zinc/41/48/82/586414882.db2.gz OVIWIIVEIYKVST-VIFPVBQESA-N 1 0 215.366 0.977 20 30 BCEDRO C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cnccn1 ZINC000807979057 586454478 /nfs/dbraw/zinc/45/44/78/586454478.db2.gz LWJSOTAHWMNLKQ-GHMZBOCLSA-N 1 0 244.302 0.671 20 30 BCEDRO C[C@H]1CC(N=Nc2nc[nH]n2)C[N@@H+]1C1CC1 ZINC000807997932 586457005 /nfs/dbraw/zinc/45/70/05/586457005.db2.gz INUKIVDMLSCPRU-ZETCQYMHSA-N 1 0 220.280 0.829 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)N(C)OC)[C@@H]1CCCO1 ZINC000808748399 586487144 /nfs/dbraw/zinc/48/71/44/586487144.db2.gz NIQCYYZYLACVCJ-QWRGUYRKSA-N 1 0 240.303 0.167 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H](c2cc[nH]n2)C1 ZINC000809571780 586507032 /nfs/dbraw/zinc/50/70/32/586507032.db2.gz BSDSJOPBOWVCGK-WDEREUQCSA-N 1 0 234.303 0.864 20 30 BCEDRO CON=CC(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000809616582 586509572 /nfs/dbraw/zinc/50/95/72/586509572.db2.gz ZGBGNOFNZRQWTN-SECBINFHSA-N 1 0 213.281 0.075 20 30 BCEDRO CON=CC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000809612849 586509588 /nfs/dbraw/zinc/50/95/88/586509588.db2.gz BVLCSBSAVBRRNP-UWVGGRQHSA-N 1 0 225.292 0.362 20 30 BCEDRO CCC[N@H+](C)C[C@@H]1CCN(C(=O)C=NOC)C1 ZINC000809701462 586513727 /nfs/dbraw/zinc/51/37/27/586513727.db2.gz FWYQNNKLPRGENR-NSHDSACASA-N 1 0 241.335 0.809 20 30 BCEDRO CON=CC(=O)N1CCCC[C@H]1C[NH+](C)C ZINC000809700482 586513872 /nfs/dbraw/zinc/51/38/72/586513872.db2.gz HMLLBCLXVRHICY-JTQLQIEISA-N 1 0 227.308 0.561 20 30 BCEDRO C#Cc1ccc(C[N@H+](C)CCC(N)=O)cc1 ZINC000809712938 586514381 /nfs/dbraw/zinc/51/43/81/586514381.db2.gz BBGQHQIRUPQOGM-UHFFFAOYSA-N 1 0 216.284 0.975 20 30 BCEDRO CON=CC(=O)N1CC[N@H+](C)[C@@H](C)[C@H]1C ZINC000809746665 586517109 /nfs/dbraw/zinc/51/71/09/586517109.db2.gz XOCHEMCHWHZYRL-DTWKUNHWSA-N 1 0 213.281 0.170 20 30 BCEDRO CON=CC(=O)N1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000809746664 586517498 /nfs/dbraw/zinc/51/74/98/586517498.db2.gz XOCHEMCHWHZYRL-BDAKNGLRSA-N 1 0 213.281 0.170 20 30 BCEDRO C#CCCNS(=O)(=O)CC[NH+](CC)CC ZINC000810049262 586532500 /nfs/dbraw/zinc/53/25/00/586532500.db2.gz UWQRKKALECUCMV-UHFFFAOYSA-N 1 0 232.349 0.271 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](CC)Cn1cncn1)[C@H]1CCCO1 ZINC000810236319 586537440 /nfs/dbraw/zinc/53/74/40/586537440.db2.gz CHORMJJPYDRTEW-RWMBFGLXSA-N 1 0 248.330 0.827 20 30 BCEDRO CC(C)[C@H](C(=O)OCC1(C#N)COC1)[NH+](C)C ZINC000811045805 586553683 /nfs/dbraw/zinc/55/36/83/586553683.db2.gz LPQIGNNIILRMQW-SNVBAGLBSA-N 1 0 240.303 0.656 20 30 BCEDRO CC[C@H](O)CNN=C1CC[N@@H+]2CCC[C@H]12 ZINC000811652550 586563466 /nfs/dbraw/zinc/56/34/66/586563466.db2.gz PHBGBWDVOUVNQD-GXSJLCMTSA-N 1 0 211.309 0.571 20 30 BCEDRO C#CCOCCC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000811937514 586568854 /nfs/dbraw/zinc/56/88/54/586568854.db2.gz YXKJDGOCNSCGGK-GFCCVEGCSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000812005004 586569583 /nfs/dbraw/zinc/56/95/83/586569583.db2.gz ZSGFGXFHFVAUSR-VXGBXAGGSA-N 1 0 235.331 0.888 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000812011208 586569593 /nfs/dbraw/zinc/56/95/93/586569593.db2.gz REIYBVUIGOLSLD-WDEREUQCSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCO[NH+]=Cc1cnc(N(C)C)n1C ZINC000812233875 586571262 /nfs/dbraw/zinc/57/12/62/586571262.db2.gz ZJDHFSSEQCMKAX-UHFFFAOYSA-N 1 0 206.249 0.470 20 30 BCEDRO CCC[N@H+](CC)C[C@H](C)NC(=O)C=NOC ZINC000812394251 586575235 /nfs/dbraw/zinc/57/52/35/586575235.db2.gz YGQTZJHNXHCMBH-JTQLQIEISA-N 1 0 229.324 0.855 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCCOC1 ZINC000813853482 586608037 /nfs/dbraw/zinc/60/80/37/586608037.db2.gz IXSFZRXTWPMHSW-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=C[C@@H](O)C(=O)OCC[NH+](CC)CC ZINC000814543532 586624052 /nfs/dbraw/zinc/62/40/52/586624052.db2.gz BCHBNRNFCVAQKU-SECBINFHSA-N 1 0 201.266 0.418 20 30 BCEDRO C=C[C@H](O)C(=O)OCC[NH+](CC)CC ZINC000814543533 586624065 /nfs/dbraw/zinc/62/40/65/586624065.db2.gz BCHBNRNFCVAQKU-VIFPVBQESA-N 1 0 201.266 0.418 20 30 BCEDRO C=C[C@@H](O)C(=O)OCC[C@@H]1CCCC[N@H+]1C ZINC000814542789 586624170 /nfs/dbraw/zinc/62/41/70/586624170.db2.gz ABZQSASXNUVDDE-WDEREUQCSA-N 1 0 227.304 0.951 20 30 BCEDRO C=C[C@H](O)C(=O)OCCC[NH+](CC)CC ZINC000814550207 586624826 /nfs/dbraw/zinc/62/48/26/586624826.db2.gz QMHMDEBQWUYPMY-JTQLQIEISA-N 1 0 215.293 0.808 20 30 BCEDRO C#CCCN1CC[NH+](C[C@@H](O)C(C)C)CC1 ZINC000814628919 586626788 /nfs/dbraw/zinc/62/67/88/586626788.db2.gz FTHCPEKJYJBOHN-CYBMUJFWSA-N 1 0 224.348 0.644 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000814668105 586627988 /nfs/dbraw/zinc/62/79/88/586627988.db2.gz YLGBFYYKVBNUNI-LLVKDONJSA-N 1 0 236.315 0.115 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccccc1C#N ZINC000814796712 586634421 /nfs/dbraw/zinc/63/44/21/586634421.db2.gz MOCVAFOLNPNIMI-UHFFFAOYSA-N 1 0 201.233 0.765 20 30 BCEDRO COc1ccc(F)c(C=NNC(N)=[NH2+])c1 ZINC000814796641 586634703 /nfs/dbraw/zinc/63/47/03/586634703.db2.gz JTLBRMKRXRURIU-UHFFFAOYSA-N 1 0 210.212 0.651 20 30 BCEDRO Cn1ccc(C=NNCC[NH+]2CCCCC2)n1 ZINC000814808782 586636274 /nfs/dbraw/zinc/63/62/74/586636274.db2.gz SJGRRGOBKLFAPH-UHFFFAOYSA-N 1 0 235.335 0.830 20 30 BCEDRO C(C[NH+]1CCCCC1)NN=C1COCCOC1 ZINC000814808131 586636433 /nfs/dbraw/zinc/63/64/33/586636433.db2.gz DCYPPNRANXVVKS-UHFFFAOYSA-N 1 0 241.335 0.465 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCS[C@H]2C)=[NH+]1 ZINC000814897818 586645533 /nfs/dbraw/zinc/64/55/33/586645533.db2.gz NDHVSXXZIGHYIC-RQJHMYQMSA-N 1 0 212.322 0.805 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cncc2ncnn21 ZINC000814928705 586653022 /nfs/dbraw/zinc/65/30/22/586653022.db2.gz KSZOAPHHGUFSLC-UHFFFAOYSA-N 1 0 244.302 0.491 20 30 BCEDRO C[C@@H](O)CN[NH+]=Cc1ccc2c(c1)CCN2C ZINC000814961374 586659479 /nfs/dbraw/zinc/65/94/79/586659479.db2.gz HLPCLJOZVUQNIX-SNVBAGLBSA-N 1 0 233.315 0.983 20 30 BCEDRO C[C@@H]1CC(N=Nc2cnnn2C)CC[N@@H+]1C ZINC000814981636 586663057 /nfs/dbraw/zinc/66/30/57/586663057.db2.gz MUKPWEIJSJSCFE-MRVPVSSYSA-N 1 0 222.296 0.697 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCCOC(C)(C)C1 ZINC000815051358 586664975 /nfs/dbraw/zinc/66/49/75/586664975.db2.gz NNGLRZZXFJBCAQ-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](C)[C@H](F)C1 ZINC000815087967 586665658 /nfs/dbraw/zinc/66/56/58/586665658.db2.gz WLCHFUVYRYPNBI-WDEREUQCSA-N 1 0 226.295 0.806 20 30 BCEDRO CON=CC(=O)NC1(C[NH+](C)C)CCC1 ZINC000816513699 586738594 /nfs/dbraw/zinc/73/85/94/586738594.db2.gz ZFLKCYIDPPPLKW-UHFFFAOYSA-N 1 0 213.281 0.219 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000816669665 586753813 /nfs/dbraw/zinc/75/38/13/586753813.db2.gz YLJMUUVOJYYQSC-JQWIXIFHSA-N 1 0 236.315 0.114 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000859825585 589063986 /nfs/dbraw/zinc/06/39/86/589063986.db2.gz ZHNYSCVRGUSGAF-SVDPJWKOSA-N 1 0 224.304 0.137 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCC[N@H+]1CCCC[C@@H]1C ZINC000816823400 586766480 /nfs/dbraw/zinc/76/64/80/586766480.db2.gz TXPTWXYFLBDNLY-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000816915606 586771197 /nfs/dbraw/zinc/77/11/97/586771197.db2.gz FDDSDCPAIMTHHU-VHSXEESVSA-N 1 0 214.309 0.380 20 30 BCEDRO C#CCOCCC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817492566 586808229 /nfs/dbraw/zinc/80/82/29/586808229.db2.gz YORSRJYDGDBMKH-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@H](O)CC[C@H]1C ZINC000817649152 586816017 /nfs/dbraw/zinc/81/60/17/586816017.db2.gz KZSZLQDGAQIXSH-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO CON=CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817677858 586817655 /nfs/dbraw/zinc/81/76/55/586817655.db2.gz IBBGFWVNLNIYTB-VIFPVBQESA-N 1 0 213.281 0.171 20 30 BCEDRO CC#CC(=O)N1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000818039229 586866598 /nfs/dbraw/zinc/86/65/98/586866598.db2.gz TUZXKQWZBCNAPD-NWDGAFQWSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CC(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000818169854 586878202 /nfs/dbraw/zinc/87/82/02/586878202.db2.gz IJGVTVFEPZNTIS-GFCCVEGCSA-N 1 0 206.289 0.564 20 30 BCEDRO CC#CC(=O)N1CC[C@]2(C1)CCC[N@H+](C)C2 ZINC000818178161 586878777 /nfs/dbraw/zinc/87/87/77/586878777.db2.gz QQOKDZIOIIAMEB-CYBMUJFWSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1nc(C)no1 ZINC000818603249 586905367 /nfs/dbraw/zinc/90/53/67/586905367.db2.gz VQVMCPRCBLIIHI-UHFFFAOYSA-N 1 0 236.275 0.063 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1nccs1 ZINC000818615863 586906829 /nfs/dbraw/zinc/90/68/29/586906829.db2.gz YERXMKWMZIGCLK-UHFFFAOYSA-N 1 0 237.328 0.828 20 30 BCEDRO C[NH+]=C(NCC[S@](=O)C(C)(C)C)NC1CC1 ZINC000117106140 589074899 /nfs/dbraw/zinc/07/48/99/589074899.db2.gz TWZFEJJBVPJXSH-MRXNPFEDSA-N 1 0 245.392 0.861 20 30 BCEDRO N#Cc1cccnc1NCC[NH2+]CC1(O)CCC1 ZINC000818975755 586919159 /nfs/dbraw/zinc/91/91/59/586919159.db2.gz MTZKGCHDDRFTIR-UHFFFAOYSA-N 1 0 246.314 0.870 20 30 BCEDRO C[NH+](C)CCNC(=S)N[C@@H]1CC[C@H](C#N)C1 ZINC000819022376 586924324 /nfs/dbraw/zinc/92/43/24/586924324.db2.gz LLGMVANSTOBMAW-VHSXEESVSA-N 1 0 240.376 0.704 20 30 BCEDRO C#CCOCC[NH2+]C[C@](C)(O)C(F)(F)F ZINC000819230856 586941311 /nfs/dbraw/zinc/94/13/11/586941311.db2.gz MNWPPUOTPFXTJW-QMMMGPOBSA-N 1 0 225.210 0.539 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC000819282450 586948046 /nfs/dbraw/zinc/94/80/46/586948046.db2.gz FBLRQNMWFXYQBV-GHMZBOCLSA-N 1 0 247.360 0.602 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@@H](O)C1CC1 ZINC000819381379 586959738 /nfs/dbraw/zinc/95/97/38/586959738.db2.gz CDUWWBNCDFOAAT-TUAOUCFPSA-N 1 0 211.305 0.938 20 30 BCEDRO CON=CC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000819718576 586988411 /nfs/dbraw/zinc/98/84/11/586988411.db2.gz FGMMXVOGZVUJFX-VHSXEESVSA-N 1 0 225.292 0.171 20 30 BCEDRO CC[C@H](C)NN=C1CC[NH+](CCO)CC1 ZINC000819809406 586996480 /nfs/dbraw/zinc/99/64/80/586996480.db2.gz GQQBQPZIAUSWPV-JTQLQIEISA-N 1 0 213.325 0.819 20 30 BCEDRO CCC1(CC)C(=O)NCCC1N=NC(N)=[NH2+] ZINC000819806681 586996148 /nfs/dbraw/zinc/99/61/48/586996148.db2.gz XIFVHCTZCSUXEX-UHFFFAOYSA-N 1 0 225.296 0.152 20 30 BCEDRO Nc1cnccc1C=[NH+]NC1CCOCC1 ZINC000819809628 586996807 /nfs/dbraw/zinc/99/68/07/586996807.db2.gz VPIFCKDAIVSYCQ-UHFFFAOYSA-N 1 0 220.276 0.766 20 30 BCEDRO OCC[NH+]1CCC(=NN[C@H]2CCCOC2)CC1 ZINC000819810136 586997028 /nfs/dbraw/zinc/99/70/28/586997028.db2.gz ZBYFKGNBTDSSEG-LBPRGKRZSA-N 1 0 241.335 0.199 20 30 BCEDRO Cc1cc(N2CCC([NH3+])(CO)CC2)c(C#N)cn1 ZINC000819918574 587002239 /nfs/dbraw/zinc/00/22/39/587002239.db2.gz VZJHYPKLLFLMTA-UHFFFAOYSA-N 1 0 246.314 0.552 20 30 BCEDRO C#CC(C)(C)NC(=O)C1(C[NH+](C)C)CC1 ZINC000819971810 587009056 /nfs/dbraw/zinc/00/90/56/587009056.db2.gz QIOIUWDYHOFSCA-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000820416383 587047340 /nfs/dbraw/zinc/04/73/40/587047340.db2.gz DVQOIEYANAESNC-WDEREUQCSA-N 1 0 223.320 0.601 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000820428683 587048363 /nfs/dbraw/zinc/04/83/63/587048363.db2.gz REZHZFPLMKVDTI-NEPJUHHUSA-N 1 0 237.347 0.990 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000820428771 587048367 /nfs/dbraw/zinc/04/83/67/587048367.db2.gz RWAOVZHYUGFKEP-NWDGAFQWSA-N 1 0 233.315 0.664 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1coc(C=O)c1 ZINC000820680746 587065563 /nfs/dbraw/zinc/06/55/63/587065563.db2.gz OQPYVNQIKAOEGJ-UHFFFAOYSA-N 1 0 248.282 0.777 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@@H](C)[NH+](C)C ZINC000821329880 587108373 /nfs/dbraw/zinc/10/83/73/587108373.db2.gz NYQZMZCALXAZML-SNVBAGLBSA-N 1 0 242.319 0.514 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000821911845 587146369 /nfs/dbraw/zinc/14/63/69/587146369.db2.gz FRWWZKNKTGHTMK-JTQLQIEISA-N 1 0 212.293 0.135 20 30 BCEDRO C#C[C@@H](NC(=O)C[NH+]1CCCC1)[C@H]1CCCO1 ZINC000822072851 587151271 /nfs/dbraw/zinc/15/12/71/587151271.db2.gz NHFKYSMEEIWDKY-VXGBXAGGSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CCOCC[N@H+]1CCCC[C@H]1CNC(C)=O ZINC000860179589 589088233 /nfs/dbraw/zinc/08/82/33/589088233.db2.gz FUFQIQXRRADRKE-ZDUSSCGKSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC(C)(C)C[NH+](C)C ZINC000822236772 587159022 /nfs/dbraw/zinc/15/90/22/587159022.db2.gz PJELGDCEIFSRJA-LLVKDONJSA-N 1 0 240.347 0.729 20 30 BCEDRO COCCN(CC#N)C(=O)CC[NH2+]C(C)(C)C ZINC000822283074 587160968 /nfs/dbraw/zinc/16/09/68/587160968.db2.gz GYTDETLZPUHYHN-UHFFFAOYSA-N 1 0 241.335 0.763 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCCC[N@@H+](C)C(C)C ZINC000822487148 587171262 /nfs/dbraw/zinc/17/12/62/587171262.db2.gz JSPNIBCGJSNMMS-LBPRGKRZSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCCC[N@@H+](C)C(C)C ZINC000822487147 587171341 /nfs/dbraw/zinc/17/13/41/587171341.db2.gz JSPNIBCGJSNMMS-GFCCVEGCSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000822761899 587184789 /nfs/dbraw/zinc/18/47/89/587184789.db2.gz FVQSUEXWSXOCBN-QWRGUYRKSA-N 1 0 236.315 0.378 20 30 BCEDRO N#CCCNC(=O)C[NH+]1C2CCC1CC2 ZINC000822783544 587185656 /nfs/dbraw/zinc/18/56/56/587185656.db2.gz KEWMQMOSOCPWFN-UHFFFAOYSA-N 1 0 207.277 0.643 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000823030625 587197366 /nfs/dbraw/zinc/19/73/66/587197366.db2.gz ZIKUPZXJAWZYQC-RYUDHWBXSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000823054796 587200172 /nfs/dbraw/zinc/20/01/72/587200172.db2.gz CYXJZZHBODSGGO-MNOVXSKESA-N 1 0 238.331 0.624 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000823054795 587200228 /nfs/dbraw/zinc/20/02/28/587200228.db2.gz CYXJZZHBODSGGO-GHMZBOCLSA-N 1 0 238.331 0.624 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000823309989 587215231 /nfs/dbraw/zinc/21/52/31/587215231.db2.gz FPQFZHWZISFKOW-VXGBXAGGSA-N 1 0 240.347 0.871 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@H]1CC[N@@H+]1C1CCCC1 ZINC000823313650 587216184 /nfs/dbraw/zinc/21/61/84/587216184.db2.gz BRDKMWQOCPHGRB-ZYHUDNBSSA-N 1 0 236.315 0.114 20 30 BCEDRO COCCN(CC#N)C(=O)C[NH+]1CCCC1 ZINC000823495066 587227020 /nfs/dbraw/zinc/22/70/20/587227020.db2.gz WLWVSTHOJAGGSE-UHFFFAOYSA-N 1 0 225.292 0.081 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000823541486 587230765 /nfs/dbraw/zinc/23/07/65/587230765.db2.gz MNUBBDHHRNZIDF-VXGBXAGGSA-N 1 0 236.315 0.189 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000823781999 587240052 /nfs/dbraw/zinc/24/00/52/587240052.db2.gz IOLJYHLNKWPZFV-WDEREUQCSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCn1cc(CNC(=O)C[NH+]2CCCC2)nn1 ZINC000823776618 587240328 /nfs/dbraw/zinc/24/03/28/587240328.db2.gz TYEHZAHYAIGPRP-UHFFFAOYSA-N 1 0 249.318 0.176 20 30 BCEDRO C#CC[N@@H+](CC)Cc1ccnc(-c2nn[nH]n2)c1 ZINC000823844910 587242661 /nfs/dbraw/zinc/24/26/61/587242661.db2.gz JULLLZGWLXKTAL-UHFFFAOYSA-N 1 0 242.286 0.717 20 30 BCEDRO C#CCCN(CCOC)C(=O)C[NH+]1CCCC1 ZINC000824749388 587285683 /nfs/dbraw/zinc/28/56/83/587285683.db2.gz YOJRJWAUMIUDRR-UHFFFAOYSA-N 1 0 238.331 0.581 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CO[C@H](C2CC2)C1 ZINC000825168424 587307240 /nfs/dbraw/zinc/30/72/40/587307240.db2.gz XRUVFIZQZTWSFM-RYUDHWBXSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CO[C@H](C2CC2)C1 ZINC000825168420 587307540 /nfs/dbraw/zinc/30/75/40/587307540.db2.gz XRUVFIZQZTWSFM-NEPJUHHUSA-N 1 0 236.315 0.283 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H]1c2ccccc2CN1C ZINC000826696579 587359283 /nfs/dbraw/zinc/35/92/83/587359283.db2.gz ONELNJCDVIQYPT-CHWSQXEVSA-N 1 0 246.310 0.836 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000826722656 587360029 /nfs/dbraw/zinc/36/00/29/587360029.db2.gz UXYUZMICFRFIHH-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000827246436 587373886 /nfs/dbraw/zinc/37/38/86/587373886.db2.gz RECQBZRWAAUOBD-MDZLAQPJSA-N 1 0 238.331 0.476 20 30 BCEDRO C#Cc1cnc(NCCC[N@@H+](C)CCOC)nc1 ZINC000827389405 587379488 /nfs/dbraw/zinc/37/94/88/587379488.db2.gz ICDISQVYQRKKPB-UHFFFAOYSA-N 1 0 248.330 0.838 20 30 BCEDRO C#C[C@H]([NH2+]Cc1cncnc1)C1CCOCC1 ZINC000827569751 587388843 /nfs/dbraw/zinc/38/88/43/587388843.db2.gz FQFIJPDYFMRKMQ-ZDUSSCGKSA-N 1 0 231.299 0.995 20 30 BCEDRO C#C[C@H]([NH2+]Cc1cncn1C)C1CCOCC1 ZINC000827571223 587389465 /nfs/dbraw/zinc/38/94/65/587389465.db2.gz XBLVLHUOEKUZHS-ZDUSSCGKSA-N 1 0 233.315 0.938 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@](C)(CC)CO ZINC000827821974 587404190 /nfs/dbraw/zinc/40/41/90/587404190.db2.gz YCQQKIOKTIXZRR-NSHDSACASA-N 1 0 214.309 0.381 20 30 BCEDRO N#Cc1cnccc1C[NH2+][C@H](CO)C1CC1 ZINC000828252448 587428056 /nfs/dbraw/zinc/42/80/56/587428056.db2.gz VTNOGXLRFDMZOQ-GFCCVEGCSA-N 1 0 217.272 0.814 20 30 BCEDRO C#CCCN1CC[NH+](C[C@@H](O)CCC)CC1 ZINC000828519009 587446893 /nfs/dbraw/zinc/44/68/93/587446893.db2.gz AIKITIWSEQDCBJ-ZDUSSCGKSA-N 1 0 224.348 0.788 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1COCCO1)[C@@H]1CCCO1 ZINC000828954268 587474631 /nfs/dbraw/zinc/47/46/31/587474631.db2.gz RFEDNHXSIRHJTR-WOPDTQHZSA-N 1 0 225.288 0.172 20 30 BCEDRO C#C[C@H]([NH2+]C[C@](C)(O)C(C)=O)[C@H]1CCCO1 ZINC000828954890 587474735 /nfs/dbraw/zinc/47/47/35/587474735.db2.gz YBWZIBIAORNGFN-TUAOUCFPSA-N 1 0 225.288 0.097 20 30 BCEDRO C#C[C@H]([NH2+]CCC[C@H](C)O)[C@H]1CCCO1 ZINC000828952874 587475013 /nfs/dbraw/zinc/47/50/13/587475013.db2.gz DKBDOUGRZSUUMX-SDDRHHMPSA-N 1 0 211.305 0.918 20 30 BCEDRO C[NH+](C)CC(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000829511868 587501482 /nfs/dbraw/zinc/50/14/82/587501482.db2.gz AMEYIRFLACPIEK-ZDUSSCGKSA-N 1 0 243.310 0.703 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)[C@](C)(O)CC)C1 ZINC000829583125 587504677 /nfs/dbraw/zinc/50/46/77/587504677.db2.gz WHADNLSLDKCLMH-WCQYABFASA-N 1 0 238.331 0.361 20 30 BCEDRO CC(C)C#CC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000829583326 587505034 /nfs/dbraw/zinc/50/50/34/587505034.db2.gz RWQWOVYQHFEGNL-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CC(=O)OC ZINC000829708585 587510716 /nfs/dbraw/zinc/51/07/16/587510716.db2.gz KSWFADPUZBJDNZ-SECBINFHSA-N 1 0 228.292 0.172 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000829779323 587515919 /nfs/dbraw/zinc/51/59/19/587515919.db2.gz QLOWBTDMWXXAFN-UONOGXRCSA-N 1 0 247.342 0.979 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CCN2C(=O)CNC2=O)C1 ZINC000829779036 587515994 /nfs/dbraw/zinc/51/59/94/587515994.db2.gz MCRYYTBLNNNMPF-NSHDSACASA-N 1 0 249.314 0.274 20 30 BCEDRO N#CC[C@]1(O)CC[N@@H+](C[C@@H](O)C2CC2)C1 ZINC000830007017 587531808 /nfs/dbraw/zinc/53/18/08/587531808.db2.gz QEYNLLPVXBWGHS-MNOVXSKESA-N 1 0 210.277 0.108 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(CC)CCC[NH+](C)C ZINC000830161863 587539615 /nfs/dbraw/zinc/53/96/15/587539615.db2.gz ZVNMXLIYMIUZSS-LBPRGKRZSA-N 1 0 240.347 0.825 20 30 BCEDRO C#CC1CC[NH+]([C@@H](C)C(=O)N(C)C)CC1 ZINC000830301764 587545252 /nfs/dbraw/zinc/54/52/52/587545252.db2.gz VETBQVHLWWDJBW-JTQLQIEISA-N 1 0 208.305 0.808 20 30 BCEDRO C#CC1CC[NH+](CCCS(N)(=O)=O)CC1 ZINC000830326717 587545731 /nfs/dbraw/zinc/54/57/31/587545731.db2.gz ZGOIUOTULXKYQM-UHFFFAOYSA-N 1 0 230.333 0.010 20 30 BCEDRO C#CC1CC[NH+](CC(=O)NCCOCC)CC1 ZINC000830330383 587546416 /nfs/dbraw/zinc/54/64/16/587546416.db2.gz XJQSZCNLVMMFHS-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](C)[C@@H]1CO ZINC000830708922 587565023 /nfs/dbraw/zinc/56/50/23/587565023.db2.gz YSQMNCMFCQBTGO-KOLCDFICSA-N 1 0 226.320 0.334 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000830972396 587578892 /nfs/dbraw/zinc/57/88/92/587578892.db2.gz NHHSUSGYYGVNDX-GFCCVEGCSA-N 1 0 236.315 0.403 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831194387 587591115 /nfs/dbraw/zinc/59/11/15/587591115.db2.gz YWAMBXFPCWGDQJ-ZJUUUORDSA-N 1 0 221.304 0.449 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000831327703 587598621 /nfs/dbraw/zinc/59/86/21/587598621.db2.gz IHQGNJIOUNSFHI-VHSXEESVSA-N 1 0 224.304 0.139 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@](C)(OC)C1(C)C ZINC000831340011 587599450 /nfs/dbraw/zinc/59/94/50/587599450.db2.gz ZJCHAGXWERUZHI-ZWNOBZJWSA-N 1 0 238.331 0.529 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1[C@@H]2CCO[C@H]2C12CCC2 ZINC000831358667 587601099 /nfs/dbraw/zinc/60/10/99/587601099.db2.gz MGOWMMWAWRIAHY-CYZMBNFOSA-N 1 0 248.326 0.283 20 30 BCEDRO C[C@@H]1CC(NC(=O)C2([NH+](C)C)CC2)=NO1 ZINC000831398640 587602039 /nfs/dbraw/zinc/60/20/39/587602039.db2.gz DZORPYZOIWOHPN-SSDOTTSWSA-N 1 0 211.265 0.319 20 30 BCEDRO CCO[C@H](CNC(=O)[C@H](C)C#N)C[NH+](C)C ZINC000831745615 587629817 /nfs/dbraw/zinc/62/98/17/587629817.db2.gz UKDOVLOIQTXBDH-NXEZZACHSA-N 1 0 227.308 0.229 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CCCCC[NH3+] ZINC000831789093 587632062 /nfs/dbraw/zinc/63/20/62/587632062.db2.gz GRVJEKMXMBUYLL-UHFFFAOYSA-N 1 0 221.264 0.739 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCN1CCOC1=O ZINC000831828749 587633177 /nfs/dbraw/zinc/63/31/77/587633177.db2.gz AZYVNIGMQQTPIQ-MNOVXSKESA-N 1 0 240.303 0.762 20 30 BCEDRO C#C[C@@H](NC(=O)C1([NH+](C)C)CC1)[C@H]1CCCO1 ZINC000832411743 587658973 /nfs/dbraw/zinc/65/89/73/587658973.db2.gz JXNOLHLITSUSMY-GHMZBOCLSA-N 1 0 236.315 0.378 20 30 BCEDRO C=CCCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834480179 587756007 /nfs/dbraw/zinc/75/60/07/587756007.db2.gz MGWPUXBHKKPRON-NXEZZACHSA-N 1 0 207.277 0.570 20 30 BCEDRO CC1(C)C(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)C1(C)C ZINC000834479393 587756027 /nfs/dbraw/zinc/75/60/27/587756027.db2.gz DJOKJFQDLNTATD-BDAKNGLRSA-N 1 0 235.331 0.896 20 30 BCEDRO CCC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCC1 ZINC000834479415 587756033 /nfs/dbraw/zinc/75/60/33/587756033.db2.gz DMDFAVXOXYKVBX-UWVGGRQHSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1(F)F ZINC000834485650 587756788 /nfs/dbraw/zinc/75/67/88/587756788.db2.gz ZTWCGJPESZPXOU-BKPPORCPSA-N 1 0 229.230 0.259 20 30 BCEDRO Cc1cncc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834490539 587757062 /nfs/dbraw/zinc/75/70/62/587757062.db2.gz VQRWPFIGZZPSKP-WDEREUQCSA-N 1 0 230.271 0.231 20 30 BCEDRO CC(C)c1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)on1 ZINC000834489756 587757102 /nfs/dbraw/zinc/75/71/02/587757102.db2.gz PDGQBHUVRCIZLA-WCBMZHEXSA-N 1 0 248.286 0.639 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(C)n1 ZINC000834493896 587757179 /nfs/dbraw/zinc/75/71/79/587757179.db2.gz ILUYLLDUQQRGCA-ZYHUDNBSSA-N 1 0 244.298 0.540 20 30 BCEDRO Cc1ccncc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834489042 587757224 /nfs/dbraw/zinc/75/72/24/587757224.db2.gz IRFGTKQMKHGOJJ-GXSJLCMTSA-N 1 0 230.271 0.231 20 30 BCEDRO C[C@H](OCC1CC1)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834493389 587757240 /nfs/dbraw/zinc/75/72/40/587757240.db2.gz DFPGFMWTQBHKOU-GDPRMGEGSA-N 1 0 237.303 0.029 20 30 BCEDRO Cc1cccc(CC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834495667 587757315 /nfs/dbraw/zinc/75/73/15/587757315.db2.gz XNWLQVPYJBGOMN-QWHCGFSZSA-N 1 0 243.310 0.765 20 30 BCEDRO Cc1nscc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834499431 587757344 /nfs/dbraw/zinc/75/73/44/587757344.db2.gz IKXCYEXMYGSEGE-APPZFPTMSA-N 1 0 236.300 0.293 20 30 BCEDRO Cc1ccc(F)c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834495816 587757581 /nfs/dbraw/zinc/75/75/81/587757581.db2.gz ZWOKMYNGHUGWDX-CABZTGNLSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C/c1ccsc1 ZINC000834499391 587757610 /nfs/dbraw/zinc/75/76/10/587757610.db2.gz IALPUWLWZQAZIK-COUIAZAYSA-N 1 0 247.323 0.989 20 30 BCEDRO COCCCCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834494238 587757635 /nfs/dbraw/zinc/75/76/35/587757635.db2.gz LXJBMKXPMOAJEG-ZJUUUORDSA-N 1 0 225.292 0.031 20 30 BCEDRO CC[C@H](C)[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834501137 587757706 /nfs/dbraw/zinc/75/77/06/587757706.db2.gz ZMUSCMUNXOJWKX-UKKRHICBSA-N 1 0 223.320 0.896 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1ccccc1 ZINC000834505454 587757708 /nfs/dbraw/zinc/75/77/08/587757708.db2.gz LEAMDXGPBWSMHJ-STQMWFEESA-N 1 0 243.310 0.847 20 30 BCEDRO C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCCOC1 ZINC000834500335 587757841 /nfs/dbraw/zinc/75/78/41/587757841.db2.gz SEDDXCGXXYXUNE-UMNHJUIQSA-N 1 0 237.303 0.031 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CCCCC1 ZINC000834505423 587757957 /nfs/dbraw/zinc/75/79/57/587757957.db2.gz KPEJICRMELOTKQ-GHMZBOCLSA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccccc1O ZINC000834505365 587758009 /nfs/dbraw/zinc/75/80/09/587758009.db2.gz KCAJWFZZOSDTEP-WCBMZHEXSA-N 1 0 231.255 0.234 20 30 BCEDRO C[C@@H]1C[C@H](C)[C@H](C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)O1 ZINC000834504403 587758042 /nfs/dbraw/zinc/75/80/42/587758042.db2.gz AULNCEMGVKNEPD-HPENLJRUSA-N 1 0 237.303 0.028 20 30 BCEDRO Cc1occc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834512049 587758140 /nfs/dbraw/zinc/75/81/40/587758140.db2.gz RIIQMJJTRXWEIO-PSASIEDQSA-N 1 0 219.244 0.429 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834507271 587758157 /nfs/dbraw/zinc/75/81/57/587758157.db2.gz ZFBMVFDVXDIYNS-RYUDHWBXSA-N 1 0 229.283 0.836 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cccc(F)c1 ZINC000834506970 587758175 /nfs/dbraw/zinc/75/81/75/587758175.db2.gz WSQUIQKAGBNUBT-PWSUYJOCSA-N 1 0 247.273 0.596 20 30 BCEDRO Cc1occc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834512051 587758291 /nfs/dbraw/zinc/75/82/91/587758291.db2.gz RIIQMJJTRXWEIO-WCBMZHEXSA-N 1 0 219.244 0.429 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(Cl)c[nH]1 ZINC000834510439 587758371 /nfs/dbraw/zinc/75/83/71/587758371.db2.gz AVOKJXNZJGJFFW-MUWHJKNJSA-N 1 0 238.678 0.509 20 30 BCEDRO CCOCC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000834506308 587758384 /nfs/dbraw/zinc/75/83/84/587758384.db2.gz RVWBIGXMXPTCGK-VHSXEESVSA-N 1 0 237.303 0.031 20 30 BCEDRO Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000834517614 587758435 /nfs/dbraw/zinc/75/84/35/587758435.db2.gz XPOVBUYXSXPGFU-KOLCDFICSA-N 1 0 230.271 0.231 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834516764 587758626 /nfs/dbraw/zinc/75/86/26/587758626.db2.gz LTRXROHQLIPYEJ-GHMZBOCLSA-N 1 0 230.271 0.231 20 30 BCEDRO C=CCONC(=O)NC1CC[NH+](CC)CC1 ZINC000834924062 587771217 /nfs/dbraw/zinc/77/12/17/587771217.db2.gz XBWYRXYLCZLYFD-UHFFFAOYSA-N 1 0 227.308 0.888 20 30 BCEDRO C[C@H]1CNC(NN=C2COCC2(C)C)=[NH+]1 ZINC000834971234 587774457 /nfs/dbraw/zinc/77/44/57/587774457.db2.gz VSHILLIZUPUIMS-ZETCQYMHSA-N 1 0 210.281 0.336 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](F)C1 ZINC000836820580 587838763 /nfs/dbraw/zinc/83/87/63/587838763.db2.gz OKWFTBDLEBJKMH-VIFPVBQESA-N 1 0 200.257 0.675 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](O)[C@H]1C ZINC000836825130 587839182 /nfs/dbraw/zinc/83/91/82/587839182.db2.gz YJFBAPKNYSLPQG-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C#C[C@@H](CCC)NS(=O)(=O)CCC[NH+](C)C ZINC000867198514 587843137 /nfs/dbraw/zinc/84/31/37/587843137.db2.gz KAAYLNKMJZPLLF-NSHDSACASA-N 1 0 246.376 0.659 20 30 BCEDRO C[NH+](C)[C@@H](CNC(=O)C#CC1CC1)C1CC1 ZINC000837354386 587868674 /nfs/dbraw/zinc/86/86/74/587868674.db2.gz STRGUVQFBUUYSN-LBPRGKRZSA-N 1 0 220.316 0.856 20 30 BCEDRO C[C@H]1CN(CCNC(=O)C#CC2CC2)CCO1 ZINC000837383639 587870062 /nfs/dbraw/zinc/87/00/62/587870062.db2.gz ONTFGOGFXCXEJD-NSHDSACASA-N 1 0 236.315 0.237 20 30 BCEDRO C=C(CC)CNC(=S)NCC[NH+](C)C ZINC000840826810 587923587 /nfs/dbraw/zinc/92/35/87/587923587.db2.gz WGZIKHJBNZMSNA-UHFFFAOYSA-N 1 0 215.366 0.978 20 30 BCEDRO C[NH+](C)CCNC(=S)NCC(C)(C)CC#N ZINC000840846341 587925069 /nfs/dbraw/zinc/92/50/69/587925069.db2.gz VVSQPKBGYYRKQT-UHFFFAOYSA-N 1 0 242.392 0.952 20 30 BCEDRO Cc1cccc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000841182351 587948370 /nfs/dbraw/zinc/94/83/70/587948370.db2.gz KYEPMQIBBQYBEB-VHSXEESVSA-N 1 0 245.286 0.623 20 30 BCEDRO Cc1cccc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000841182349 587948552 /nfs/dbraw/zinc/94/85/52/587948552.db2.gz KYEPMQIBBQYBEB-NXEZZACHSA-N 1 0 245.286 0.623 20 30 BCEDRO C=C(CO)C(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000841466464 587956111 /nfs/dbraw/zinc/95/61/11/587956111.db2.gz CEBNQSYJYFZCAE-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO C[C@H]1CNC(NN=C2COC(C)(C)C2)=[NH+]1 ZINC000841634830 587963292 /nfs/dbraw/zinc/96/32/92/587963292.db2.gz ZOEMYAZFYSAEOI-ZETCQYMHSA-N 1 0 210.281 0.479 20 30 BCEDRO CCO[C@@H]1CC(=NNC2=[NH+][C@H](C)CN2)[C@H]1OC ZINC000841634419 587963514 /nfs/dbraw/zinc/96/35/14/587963514.db2.gz SUOPIHQPPSEKDC-SZEHBUNVSA-N 1 0 240.307 0.104 20 30 BCEDRO Fc1ccc2c(c1)OCCC2=NNC1=[NH+]CCN1 ZINC000841659424 587969465 /nfs/dbraw/zinc/96/94/65/587969465.db2.gz KLGOVYVZZSEXHN-UHFFFAOYSA-N 1 0 248.261 0.861 20 30 BCEDRO Oc1cccc2c1C(=NNC1=[NH+]CCN1)CC2 ZINC000841660548 587969769 /nfs/dbraw/zinc/96/97/69/587969769.db2.gz RDFXSBGYZLLBJU-UHFFFAOYSA-N 1 0 230.271 0.591 20 30 BCEDRO COCC(=NNC1=[NH+]CCN1)c1ccccc1 ZINC000841661975 587969969 /nfs/dbraw/zinc/96/99/69/587969969.db2.gz UROGZMJEJJNKSG-UHFFFAOYSA-N 1 0 232.287 0.586 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]CCN2)s1 ZINC000841661388 587970035 /nfs/dbraw/zinc/97/00/35/587970035.db2.gz OOCLRXFYJVYJPG-UHFFFAOYSA-N 1 0 224.289 0.639 20 30 BCEDRO COc1cccc(C)c1C=NNC1=[NH+]CCN1 ZINC000841661041 587970266 /nfs/dbraw/zinc/97/02/66/587970266.db2.gz VBZDJLTXMQIVMZ-UHFFFAOYSA-N 1 0 232.287 0.886 20 30 BCEDRO COc1cccc(C=NNC2=[NH+]CCN2)c1 ZINC000841661261 587970455 /nfs/dbraw/zinc/97/04/55/587970455.db2.gz LXAWNGQBFCXFMZ-UHFFFAOYSA-N 1 0 218.260 0.578 20 30 BCEDRO CCOc1cccc(C=NNC2=[NH+]CCN2)n1 ZINC000841660889 587970526 /nfs/dbraw/zinc/97/05/26/587970526.db2.gz KGJWIYRXCPLRPI-UHFFFAOYSA-N 1 0 233.275 0.363 20 30 BCEDRO C=C(Br)CNC(=O)N1CC[NH2+]CC1 ZINC000841746020 587973866 /nfs/dbraw/zinc/97/38/66/587973866.db2.gz UEXYTRCHGTUGSR-UHFFFAOYSA-N 1 0 248.124 0.510 20 30 BCEDRO C#CCSCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000841832008 587976645 /nfs/dbraw/zinc/97/66/45/587976645.db2.gz KZLLXJQPRAXYJI-JTQLQIEISA-N 1 0 241.360 0.389 20 30 BCEDRO C#CCSCCNC(=O)NCC[NH2+]C1CC1 ZINC000841831970 587976761 /nfs/dbraw/zinc/97/67/61/587976761.db2.gz JCXGQPRALYKSJS-UHFFFAOYSA-N 1 0 241.360 0.404 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1COC(C)(C)C1 ZINC000841858941 587978973 /nfs/dbraw/zinc/97/89/73/587978973.db2.gz GNLFCHOPAZBTCR-JTQLQIEISA-N 1 0 224.304 0.283 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H](C)C[NH3+])[C@H]1CCCO1 ZINC000841880467 587980563 /nfs/dbraw/zinc/98/05/63/587980563.db2.gz AGMUFDBJYOZDFU-GARJFASQSA-N 1 0 239.319 0.061 20 30 BCEDRO C#CCCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000841885209 587980795 /nfs/dbraw/zinc/98/07/95/587980795.db2.gz HFPKNZMERCTUDI-SNVBAGLBSA-N 1 0 209.293 0.451 20 30 BCEDRO C#CCCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000841885678 587980855 /nfs/dbraw/zinc/98/08/55/587980855.db2.gz ISPWAWKZQTUCBD-SNVBAGLBSA-N 1 0 209.293 0.436 20 30 BCEDRO C#CCCCNC(=O)N(C1CC1)[C@H]1CC[NH2+]C1 ZINC000841884357 587980880 /nfs/dbraw/zinc/98/08/80/587980880.db2.gz BKWGMEDVUSVWEP-LBPRGKRZSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000841886716 587981491 /nfs/dbraw/zinc/98/14/91/587981491.db2.gz RCMOZNGUPDCCAT-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C=CCONC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000841912830 587984439 /nfs/dbraw/zinc/98/44/39/587984439.db2.gz AKZFLZOWQQFPSV-DTWKUNHWSA-N 1 0 213.281 0.401 20 30 BCEDRO C=CCONC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000841913449 587984809 /nfs/dbraw/zinc/98/48/09/587984809.db2.gz NMTRBXAGCUVSEX-SECBINFHSA-N 1 0 213.281 0.627 20 30 BCEDRO C=CCONC(=O)N1CCC[C@H]1C[NH2+]C ZINC000841913474 587984826 /nfs/dbraw/zinc/98/48/26/587984826.db2.gz NRIHRICJBXDFJG-VIFPVBQESA-N 1 0 213.281 0.497 20 30 BCEDRO C=CCONC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000841913576 587984836 /nfs/dbraw/zinc/98/48/36/587984836.db2.gz QRVWATHBUIEGAS-ZETCQYMHSA-N 1 0 235.234 0.400 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]([NH3+])[C@H](CC)C1 ZINC000841913306 587984861 /nfs/dbraw/zinc/98/48/61/587984861.db2.gz LZLRPOODVWARRE-ZJUUUORDSA-N 1 0 227.308 0.873 20 30 BCEDRO C=CCONC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000841913209 587984866 /nfs/dbraw/zinc/98/48/66/587984866.db2.gz KXWSPQKRZIWZOR-RKDXNWHRSA-N 1 0 213.281 0.496 20 30 BCEDRO C=CCONC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841913575 587985073 /nfs/dbraw/zinc/98/50/73/587985073.db2.gz QRVWATHBUIEGAS-SSDOTTSWSA-N 1 0 235.234 0.400 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000841926293 587985241 /nfs/dbraw/zinc/98/52/41/587985241.db2.gz FZZYNJHNWOOUNS-AXFHLTTASA-N 1 0 223.320 0.695 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000841924346 587985423 /nfs/dbraw/zinc/98/54/23/587985423.db2.gz YIMNCZJDTUUUJK-UWVGGRQHSA-N 1 0 209.293 0.307 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCC[NH2+]C1CC1 ZINC000841926624 587985430 /nfs/dbraw/zinc/98/54/30/587985430.db2.gz DRGQDPZVHXFNPK-SECBINFHSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000841926295 587985576 /nfs/dbraw/zinc/98/55/76/587985576.db2.gz FZZYNJHNWOOUNS-DCAQKATOSA-N 1 0 223.320 0.695 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000841939002 587985876 /nfs/dbraw/zinc/98/58/76/587985876.db2.gz SOVASXVRAZAVRC-VHSXEESVSA-N 1 0 209.293 0.307 20 30 BCEDRO C#CCCNC(=O)NCC[C@H]1CCC[NH2+]C1 ZINC000841935898 587985917 /nfs/dbraw/zinc/98/59/17/587985917.db2.gz BRXOUGFEQNMAST-LLVKDONJSA-N 1 0 223.320 0.699 20 30 BCEDRO C=C(Cl)CNC(=O)NCC(C)(C)[NH3+] ZINC000841950682 587986949 /nfs/dbraw/zinc/98/69/49/587986949.db2.gz OHLATCPYQADCMY-UHFFFAOYSA-N 1 0 205.689 0.775 20 30 BCEDRO C#CCCNC(=O)N[C@H](C[NH3+])CCCC ZINC000841960120 587986971 /nfs/dbraw/zinc/98/69/71/587986971.db2.gz ZSXVWJZQZHNMIL-JTQLQIEISA-N 1 0 211.309 0.826 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000841972635 587987119 /nfs/dbraw/zinc/98/71/19/587987119.db2.gz JXQZPFHNJRFNBQ-CMPLNLGQSA-N 1 0 223.320 0.697 20 30 BCEDRO C=CCN(C(=O)NCC[NH2+]CCOC)C(C)C ZINC000841968392 587987125 /nfs/dbraw/zinc/98/71/25/587987125.db2.gz QGZLLQDOBKSSGN-UHFFFAOYSA-N 1 0 243.351 0.828 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841981655 587987572 /nfs/dbraw/zinc/98/75/72/587987572.db2.gz FYTOGWZLSKGSEF-HBNTYKKESA-N 1 0 223.320 0.919 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000841980740 587987628 /nfs/dbraw/zinc/98/76/28/587987628.db2.gz FAXIAPWGVUTYQG-CHWSQXEVSA-N 1 0 247.342 0.924 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000841977538 587987716 /nfs/dbraw/zinc/98/77/16/587987716.db2.gz MSGLADRXWGOPLV-VHSXEESVSA-N 1 0 209.293 0.307 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000842005661 587988559 /nfs/dbraw/zinc/98/85/59/587988559.db2.gz OMUONAZELOBZAU-RQJHMYQMSA-N 1 0 205.689 0.774 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842005275 587988563 /nfs/dbraw/zinc/98/85/63/587988563.db2.gz RLLIHJPKUYYVQA-SFYZADRCSA-N 1 0 231.246 0.305 20 30 BCEDRO C#CCCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000842003104 587988683 /nfs/dbraw/zinc/98/86/83/587988683.db2.gz IAZGGCCKAKIFQM-QMMMGPOBSA-N 1 0 231.246 0.306 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[C@H]2C[NH2+]C[C@H]2C1 ZINC000842015702 587988845 /nfs/dbraw/zinc/98/88/45/587988845.db2.gz PBHSTSDDQDYCQC-NNYUYHANSA-N 1 0 235.331 0.695 20 30 BCEDRO CCN(CCO)[NH+]=Cc1cnccc1N(C)C ZINC000842537262 588036202 /nfs/dbraw/zinc/03/62/02/588036202.db2.gz TVNAFZDUQMIFAM-UHFFFAOYSA-N 1 0 236.319 0.796 20 30 BCEDRO CCN(CCO)[NH+]=C(C)c1ccc(N)nc1 ZINC000842538061 588036813 /nfs/dbraw/zinc/03/68/13/588036813.db2.gz KGKRZEONOKEZAE-UHFFFAOYSA-N 1 0 222.292 0.702 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CN2CC(=O)N(C)C2=O)C1 ZINC000842629826 588046663 /nfs/dbraw/zinc/04/66/63/588046663.db2.gz SAJJATVALGIZRA-NSHDSACASA-N 1 0 249.314 0.573 20 30 BCEDRO C=CCCS(=O)(=O)NC1CC2(CC([NH3+])C2)C1 ZINC000842798900 588064683 /nfs/dbraw/zinc/06/46/83/588064683.db2.gz WFRBIRWGIMMEJR-UHFFFAOYSA-N 1 0 244.360 0.752 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)CSC ZINC000843101752 588077758 /nfs/dbraw/zinc/07/77/58/588077758.db2.gz QTTIKSMLPSHKCX-UWVGGRQHSA-N 1 0 217.334 0.074 20 30 BCEDRO CON=Cc1ccc(C(=O)NC[C@@H](C)C[NH3+])cc1 ZINC000843451630 588111502 /nfs/dbraw/zinc/11/15/02/588111502.db2.gz WLOYIKLZDLSVJI-JTQLQIEISA-N 1 0 249.314 0.992 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C\C1CCOCC1 ZINC000843459971 588112559 /nfs/dbraw/zinc/11/25/59/588112559.db2.gz JXCLDYMCPRBARF-JZIZGNRHSA-N 1 0 249.314 0.197 20 30 BCEDRO Cc1c[nH]cc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000843464237 588112981 /nfs/dbraw/zinc/11/29/81/588112981.db2.gz ZXVXOBMFOKVZRW-WPRPVWTQSA-N 1 0 218.260 0.165 20 30 BCEDRO CON=Cc1ccc(C(=O)N[C@@H](C)C[NH3+])cc1 ZINC000843470315 588113439 /nfs/dbraw/zinc/11/34/39/588113439.db2.gz UGSTVLVESPEJPD-VIFPVBQESA-N 1 0 235.287 0.744 20 30 BCEDRO C=CCN(C(=O)CO[C@@H]1CCC[NH2+]C1)C1CC1 ZINC000843495645 588115317 /nfs/dbraw/zinc/11/53/17/588115317.db2.gz VFROGOJYJFNOFQ-GFCCVEGCSA-N 1 0 238.331 0.932 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N[C@@H](C#N)C2CC2)CC[N@@H+]1C ZINC000843795049 588140509 /nfs/dbraw/zinc/14/05/09/588140509.db2.gz SKXIRAMZJKKDFY-IEBDPFPHSA-N 1 0 221.304 0.745 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@H]1COC ZINC000843892344 588148214 /nfs/dbraw/zinc/14/82/14/588148214.db2.gz AOTIVWPSOSQGSH-RYUDHWBXSA-N 1 0 236.315 0.331 20 30 BCEDRO C[C@@H]1[C@H](C(=O)n2ncc(C#N)c2N)CC[N@@H+]1C ZINC000844133650 588169731 /nfs/dbraw/zinc/16/97/31/588169731.db2.gz YJTGSERNMAECPS-VXNVDRBHSA-N 1 0 233.275 0.317 20 30 BCEDRO CS[C@H](C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000844194807 588172836 /nfs/dbraw/zinc/17/28/36/588172836.db2.gz MHKOYDIUSLWYJO-IWSPIJDZSA-N 1 0 227.333 0.356 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C/c1cccnc1 ZINC000844194238 588172909 /nfs/dbraw/zinc/17/29/09/588172909.db2.gz CRUMBZJDLGFYGL-LXYZTQFVSA-N 1 0 242.282 0.323 20 30 BCEDRO C#CCC[N@H+]1CC(C)(C)O[C@@H]2COC[C@H]21 ZINC000844471145 588198282 /nfs/dbraw/zinc/19/82/82/588198282.db2.gz UVJMPIYTFCHZIP-GHMZBOCLSA-N 1 0 209.289 0.888 20 30 BCEDRO C[C@@H]1CNC(NN=C2CO[C@H](C)[C@H]2C)=[NH+]1 ZINC000844589734 588206017 /nfs/dbraw/zinc/20/60/17/588206017.db2.gz JNKAIJOADOAUAH-BWZBUEFSSA-N 1 0 210.281 0.335 20 30 BCEDRO COc1cccc(C(C)=NNC2=[NH+]CCN2)c1O ZINC000844603195 588207867 /nfs/dbraw/zinc/20/78/67/588207867.db2.gz YVVBGDYRXVNSHS-UHFFFAOYSA-N 1 0 248.286 0.674 20 30 BCEDRO C=C(C)CONC(=O)NCC[N@@H+](C)C1CC1 ZINC000845598043 588234793 /nfs/dbraw/zinc/23/47/93/588234793.db2.gz VWBCJOSKFDJGSA-UHFFFAOYSA-N 1 0 227.308 0.888 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NCC[N@H+](CC)CCO ZINC000845622909 588237548 /nfs/dbraw/zinc/23/75/48/588237548.db2.gz FGDCDKJDUBFCNX-SNVBAGLBSA-N 1 0 245.323 0.106 20 30 BCEDRO C=C[C@H](C)ONC(=O)NCC[N@H+](C)C1CC1 ZINC000845634039 588238889 /nfs/dbraw/zinc/23/88/89/588238889.db2.gz RTMOZGFCJCGQRH-VIFPVBQESA-N 1 0 227.308 0.886 20 30 BCEDRO C=C[C@@H](C)ONC(=O)N(C)CC[NH+](C)C ZINC000845636085 588239053 /nfs/dbraw/zinc/23/90/53/588239053.db2.gz STJWSQPOVMMHMF-SECBINFHSA-N 1 0 215.297 0.696 20 30 BCEDRO C=C[C@H](C)ONC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000845639464 588239252 /nfs/dbraw/zinc/23/92/52/588239252.db2.gz PXDAKZKPLFYYCT-UWVGGRQHSA-N 1 0 227.308 0.886 20 30 BCEDRO C=C[C@H](C)ONC(=O)NCC[N@@H+](C)CCOC ZINC000845642350 588239532 /nfs/dbraw/zinc/23/95/32/588239532.db2.gz PKAXDQOANGWPCB-JTQLQIEISA-N 1 0 245.323 0.370 20 30 BCEDRO C=CCONC(=O)NCCC1(C[NH3+])CC1 ZINC000846174840 588259289 /nfs/dbraw/zinc/25/92/89/588259289.db2.gz ZWOMAPFGNKXKER-UHFFFAOYSA-N 1 0 213.281 0.532 20 30 BCEDRO C#CCN(CC)C(=O)NCCC1(C[NH3+])CC1 ZINC000846184828 588259536 /nfs/dbraw/zinc/25/95/36/588259536.db2.gz OACMHWOYFUNOHR-UHFFFAOYSA-N 1 0 223.320 0.780 20 30 BCEDRO N#Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000846679178 588282284 /nfs/dbraw/zinc/28/22/84/588282284.db2.gz YQBWOINGJUEGOO-RYUDHWBXSA-N 1 0 240.266 0.400 20 30 BCEDRO C=CCCn1cc(CN2CC[N@H+](C)[C@H](C)C2)nn1 ZINC000846838259 588292356 /nfs/dbraw/zinc/29/23/56/588292356.db2.gz YGKPSICXTOSHMR-GFCCVEGCSA-N 1 0 249.362 0.990 20 30 BCEDRO C#C[C@H]([NH2+]CCCC(=O)N(C)C)[C@@H]1CCCO1 ZINC000846861860 588293978 /nfs/dbraw/zinc/29/39/78/588293978.db2.gz SHCKYQGJYDSILQ-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO CC[C@H](CC#N)NC[C@H](O)C[NH+]1CCCC1 ZINC000846996308 588300996 /nfs/dbraw/zinc/30/09/96/588300996.db2.gz WGQAYNNVMDLJLX-NEPJUHHUSA-N 1 0 225.336 0.725 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC2(O)CCOCC2)C1 ZINC000847020902 588302827 /nfs/dbraw/zinc/30/28/27/588302827.db2.gz FWNRQUXXRHJMCH-LBPRGKRZSA-N 1 0 223.316 0.873 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)N(C)CC)C1 ZINC000847023062 588303181 /nfs/dbraw/zinc/30/31/81/588303181.db2.gz KTQSQCJPAOZWSH-LLVKDONJSA-N 1 0 208.305 0.810 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCCNC2=O)C1 ZINC000847023264 588303321 /nfs/dbraw/zinc/30/33/21/588303321.db2.gz ZXINWNFFAJFUPB-GHMZBOCLSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847178864 588308879 /nfs/dbraw/zinc/30/88/79/588308879.db2.gz GQPFXMBACSDKHS-UTUOFQBUSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCO[C@H](C)C(=O)OCC[C@H]1CC[N@H+](C)C1 ZINC000847820922 588333908 /nfs/dbraw/zinc/33/39/08/588333908.db2.gz WHJQXEULSXJWOS-VXGBXAGGSA-N 1 0 239.315 0.910 20 30 BCEDRO C[C@H](CO)NN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848406560 588378831 /nfs/dbraw/zinc/37/88/31/588378831.db2.gz GYXSJODRYYYUIH-PWSUYJOCSA-N 1 0 225.336 0.961 20 30 BCEDRO N#CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000848599122 588401295 /nfs/dbraw/zinc/40/12/95/588401295.db2.gz WWYNPMIBKSUNLG-RXMQYKEDSA-N 1 0 224.186 0.089 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cccnc1N(C)C ZINC000848986573 588425596 /nfs/dbraw/zinc/42/55/96/588425596.db2.gz HDMFWUNWGDQOHZ-UHFFFAOYSA-N 1 0 233.319 0.948 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](O)c1ccco1 ZINC000848989618 588426600 /nfs/dbraw/zinc/42/66/00/588426600.db2.gz LABKKCJYLGMXOQ-QMMMGPOBSA-N 1 0 209.249 0.613 20 30 BCEDRO CCCNC(=[NH2+])NCCNc1ncccc1C#N ZINC000848989697 588426683 /nfs/dbraw/zinc/42/66/83/588426683.db2.gz SQMNSXVIUQOYKB-UHFFFAOYSA-N 1 0 246.318 0.889 20 30 BCEDRO CCNC(NC[C@H](O)COCC(C)C)=[NH+]CC ZINC000848990553 588427064 /nfs/dbraw/zinc/42/70/64/588427064.db2.gz FJHYMJDJUAISMV-NSHDSACASA-N 1 0 245.367 0.595 20 30 BCEDRO N#Cc1ccc(NCCNC(=[NH2+])N2CCC2)nc1 ZINC000848991564 588427491 /nfs/dbraw/zinc/42/74/91/588427491.db2.gz PCLOVJCFCFTWSG-UHFFFAOYSA-N 1 0 244.302 0.595 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cc(C)ncn1 ZINC000848994416 588428396 /nfs/dbraw/zinc/42/83/96/588428396.db2.gz ILOUNWLBYQDNLJ-UHFFFAOYSA-N 1 0 219.292 0.975 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccccc1CO ZINC000848996195 588429096 /nfs/dbraw/zinc/42/90/96/588429096.db2.gz KPBIOUVUSKPTRB-UHFFFAOYSA-N 1 0 219.288 0.979 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCN2Cc3ccccc3C2)N1 ZINC000848996795 588429620 /nfs/dbraw/zinc/42/96/20/588429620.db2.gz DCGJNTAOIVSYSG-NSHDSACASA-N 1 0 244.342 0.940 20 30 BCEDRO C[NH+]=C(NCCCCC(=O)OC)NC1CC1 ZINC000848998799 588429984 /nfs/dbraw/zinc/42/99/84/588429984.db2.gz YEASTUXCEAFCPH-UHFFFAOYSA-N 1 0 227.308 0.657 20 30 BCEDRO COC(=O)CCCCNC1=[NH+]C[C@@H](C)N1 ZINC000848998813 588430129 /nfs/dbraw/zinc/43/01/29/588430129.db2.gz ZYEFXUKSUHWWDH-MRVPVSSYSA-N 1 0 213.281 0.267 20 30 BCEDRO CN(C)C(=[NH+]C[C@](C)(O)C(F)(F)F)N(C)C ZINC000849001576 588430840 /nfs/dbraw/zinc/43/08/40/588430840.db2.gz DATQHVLORJQPNL-QMMMGPOBSA-N 1 0 241.257 0.779 20 30 BCEDRO CN(C)C(=[NH+]C[C@@](C)(O)C(F)(F)F)N(C)C ZINC000849001575 588430988 /nfs/dbraw/zinc/43/09/88/588430988.db2.gz DATQHVLORJQPNL-MRVPVSSYSA-N 1 0 241.257 0.779 20 30 BCEDRO CO[C@H](C)CC[NH+]=C(N(C)C)N(C)C ZINC000849001395 588431004 /nfs/dbraw/zinc/43/10/04/588431004.db2.gz WLNSSCMFAWUVJR-SECBINFHSA-N 1 0 201.314 0.891 20 30 BCEDRO C[C@H](C#N)CNC(=[NH2+])N1CCSCC1 ZINC000849004025 588431794 /nfs/dbraw/zinc/43/17/94/588431794.db2.gz UTYKREUUXZOLFM-MRVPVSSYSA-N 1 0 212.322 0.719 20 30 BCEDRO CNC(NCCCC(=O)OC(C)(C)C)=[NH+]C ZINC000849006077 588432799 /nfs/dbraw/zinc/43/27/99/588432799.db2.gz QVYWQJZMKNPYTP-UHFFFAOYSA-N 1 0 229.324 0.903 20 30 BCEDRO COC1CCN(CCNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000849011841 588435471 /nfs/dbraw/zinc/43/54/71/588435471.db2.gz QPQBJWHKDADUDV-SNVBAGLBSA-N 1 0 240.351 0.035 20 30 BCEDRO Cc1ncc(CCNC2=[NH+]C[C@H](C)N2)s1 ZINC000849013862 588436306 /nfs/dbraw/zinc/43/63/06/588436306.db2.gz NVSXLSUBAHTVIO-ZETCQYMHSA-N 1 0 224.333 0.931 20 30 BCEDRO C=CCCOCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000849015072 588436547 /nfs/dbraw/zinc/43/65/47/588436547.db2.gz POPPENUEQZHOES-NSHDSACASA-N 1 0 241.335 0.824 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])NCC(C)C ZINC000849015728 588436717 /nfs/dbraw/zinc/43/67/17/588436717.db2.gz MSDHKKKXHUAWKP-JTQLQIEISA-N 1 0 213.325 0.941 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000849015595 588436737 /nfs/dbraw/zinc/43/67/37/588436737.db2.gz CMXPITUEAGPFIB-WDEREUQCSA-N 1 0 241.335 0.464 20 30 BCEDRO CC(C)C(=O)NCCCNC1=[NH+]C[C@@H](C)N1 ZINC000849015186 588436852 /nfs/dbraw/zinc/43/68/52/588436852.db2.gz XCNOSPLGTYPCEA-SECBINFHSA-N 1 0 226.324 0.086 20 30 BCEDRO C=CC[C@H](CO)CNC(NC1CC1)=[NH+]C ZINC000849015996 588436973 /nfs/dbraw/zinc/43/69/73/588436973.db2.gz VWYMGPZJKIWBLC-VIFPVBQESA-N 1 0 211.309 0.498 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])N1CCOCC1 ZINC000849016043 588437053 /nfs/dbraw/zinc/43/70/53/588437053.db2.gz WTCAGVWQKTVMIU-SNVBAGLBSA-N 1 0 227.308 0.028 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2ccc(CO)cc2)N1 ZINC000849016738 588437070 /nfs/dbraw/zinc/43/70/70/588437070.db2.gz GOHHHZBONZWKCA-SNVBAGLBSA-N 1 0 233.315 0.659 20 30 BCEDRO C=CC[C@@H](CO)CNC(NC1CC1)=[NH+]C ZINC000849015994 588437101 /nfs/dbraw/zinc/43/71/01/588437101.db2.gz VWYMGPZJKIWBLC-SECBINFHSA-N 1 0 211.309 0.498 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2ccc(CO)cc2)N1 ZINC000849016737 588437168 /nfs/dbraw/zinc/43/71/68/588437168.db2.gz GOHHHZBONZWKCA-JTQLQIEISA-N 1 0 233.315 0.659 20 30 BCEDRO N#CCCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000849017509 588437403 /nfs/dbraw/zinc/43/74/03/588437403.db2.gz KZAQJIOFOBKDOY-VIFPVBQESA-N 1 0 210.281 0.583 20 30 BCEDRO C#CCOCCNC(=[NH2+])NCC1CCC1 ZINC000849017983 588437684 /nfs/dbraw/zinc/43/76/84/588437684.db2.gz QABLCVITZNCBMM-UHFFFAOYSA-N 1 0 209.293 0.550 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2ccc(C#N)cn2)N1 ZINC000849020837 588438946 /nfs/dbraw/zinc/43/89/46/588438946.db2.gz NOCQWIOKOPDVDW-QMMMGPOBSA-N 1 0 215.260 0.391 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ccc(C#N)cn1 ZINC000849020950 588439039 /nfs/dbraw/zinc/43/90/39/588439039.db2.gz XUFOYKISQHZQOD-UHFFFAOYSA-N 1 0 203.249 0.539 20 30 BCEDRO COCCNC(=[NH2+])NCC1(CC#N)CC1 ZINC000849025874 588440536 /nfs/dbraw/zinc/44/05/36/588440536.db2.gz JEWWQFJCCZBKCC-UHFFFAOYSA-N 1 0 210.281 0.441 20 30 BCEDRO N#CC1(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000849025740 588440714 /nfs/dbraw/zinc/44/07/14/588440714.db2.gz GSEFJGPMCARNJZ-UHFFFAOYSA-N 1 0 208.265 0.147 20 30 BCEDRO C[NH+]=C(NCCc1cn[nH]c1)NC1CC1 ZINC000849029219 588441824 /nfs/dbraw/zinc/44/18/24/588441824.db2.gz DIXFUEFHGJCBSV-UHFFFAOYSA-N 1 0 207.281 0.280 20 30 BCEDRO C[NH+]=C(NC[C@H](CO)C(C)C)NC1CC1 ZINC000849028640 588442009 /nfs/dbraw/zinc/44/20/09/588442009.db2.gz SQEFEDLLVJUMFM-SECBINFHSA-N 1 0 213.325 0.578 20 30 BCEDRO CN(C)C(=[NH+]CCCc1cnn(C)n1)N(C)C ZINC000849030500 588442626 /nfs/dbraw/zinc/44/26/26/588442626.db2.gz LAIWFQROUJGXRK-UHFFFAOYSA-N 1 0 238.339 0.227 20 30 BCEDRO C[NH+]=C(NC[C@]1(O)CCC[C@H]1C)NC1CC1 ZINC000849033386 588443987 /nfs/dbraw/zinc/44/39/87/588443987.db2.gz ZLOUVMOPVJSBHW-BXKDBHETSA-N 1 0 225.336 0.865 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nn(C)cc1Cl ZINC000849035947 588445173 /nfs/dbraw/zinc/44/51/73/588445173.db2.gz RPGIENZOBXAZKJ-UHFFFAOYSA-N 1 0 227.699 0.873 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCOCC(=O)OCC ZINC000849036679 588445380 /nfs/dbraw/zinc/44/53/80/588445380.db2.gz UXINCOZUOOIJGG-UHFFFAOYSA-N 1 0 243.307 0.256 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCC(C)(C)S(C)(=O)=O)N1 ZINC000849042282 588448254 /nfs/dbraw/zinc/44/82/54/588448254.db2.gz HABDUIQTHWDHCP-MRVPVSSYSA-N 1 0 247.364 0.137 20 30 BCEDRO CCNC(NCC1(CC(N)=O)CC1)=[NH+]CC ZINC000849043403 588448891 /nfs/dbraw/zinc/44/88/91/588448891.db2.gz BTXFTAJCQULZTN-UHFFFAOYSA-N 1 0 226.324 0.217 20 30 BCEDRO C[NH+]=C(NCCCCS(C)(=O)=O)NC1CC1 ZINC000849044275 588449035 /nfs/dbraw/zinc/44/90/35/588449035.db2.gz DMHKBOFQNQMSIN-UHFFFAOYSA-N 1 0 247.364 0.139 20 30 BCEDRO CN(C)C(=[NH+]CCN1CCCC1=O)N(C)C ZINC000849046913 588450209 /nfs/dbraw/zinc/45/02/09/588450209.db2.gz FCWDTSOESXBRRT-UHFFFAOYSA-N 1 0 226.324 0.088 20 30 BCEDRO CC[C@H](CNC(NC1CC1)=[NH+]C)C(=O)OC ZINC000849047024 588450431 /nfs/dbraw/zinc/45/04/31/588450431.db2.gz ZZRVYUYJLRIROL-MRVPVSSYSA-N 1 0 227.308 0.513 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC[C@@]1(O)CCOC1 ZINC000849047748 588450661 /nfs/dbraw/zinc/45/06/61/588450661.db2.gz UPLCICAYBMPUKH-LLVKDONJSA-N 1 0 227.308 0.218 20 30 BCEDRO C[C@H](CNC1=[NH+]C[C@@H](C)N1)C(=O)OC(C)(C)C ZINC000849048381 588451016 /nfs/dbraw/zinc/45/10/16/588451016.db2.gz CAQVYDNEHXEGAQ-RKDXNWHRSA-N 1 0 241.335 0.902 20 30 BCEDRO CCNC(NCC[C@]1(O)CCCOC1)=[NH+]CC ZINC000849049227 588451606 /nfs/dbraw/zinc/45/16/06/588451606.db2.gz OWPNAFSRCDUPQK-GFCCVEGCSA-N 1 0 243.351 0.493 20 30 BCEDRO C=C[C@@](C)(O)c1cn(CCC[NH+](C)C)nn1 ZINC000849136571 588453638 /nfs/dbraw/zinc/45/36/38/588453638.db2.gz KGGALOMQOZDZIC-LLVKDONJSA-N 1 0 224.308 0.623 20 30 BCEDRO CCNC(N[C@@H]1C[C@@H](O)C12CCC2)=[NH+]CC ZINC000849214994 588461776 /nfs/dbraw/zinc/46/17/76/588461776.db2.gz HVSUAILTRLXOHD-NXEZZACHSA-N 1 0 225.336 0.865 20 30 BCEDRO CC[C@H](C)[C@@](C)(O)CNC(NC)=[NH+]C ZINC000849214624 588461788 /nfs/dbraw/zinc/46/17/88/588461788.db2.gz YKDJZZUCQICGNH-WPRPVWTQSA-N 1 0 201.314 0.578 20 30 BCEDRO CC[C@H](C)[C@](C)(O)CNC(NC)=[NH+]C ZINC000849214623 588461791 /nfs/dbraw/zinc/46/17/91/588461791.db2.gz YKDJZZUCQICGNH-WCBMZHEXSA-N 1 0 201.314 0.578 20 30 BCEDRO CNC(NCc1c(C)cc(C)[nH]c1=O)=[NH+]C ZINC000849214558 588461857 /nfs/dbraw/zinc/46/18/57/588461857.db2.gz QLUMRGNMRMEWKH-UHFFFAOYSA-N 1 0 222.292 0.699 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000849224488 588463028 /nfs/dbraw/zinc/46/30/28/588463028.db2.gz FMDGBXWITRZEHI-JTQLQIEISA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)Cn1cncn1 ZINC000850443997 588547042 /nfs/dbraw/zinc/54/70/42/588547042.db2.gz PIFVWUDQRLOPMM-JTQLQIEISA-N 1 0 224.333 0.623 20 30 BCEDRO C=CCOCCC[NH2+]C1CCN(C=O)CC1 ZINC000850532161 588558259 /nfs/dbraw/zinc/55/82/59/588558259.db2.gz QNRYSSVQZLPELM-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCCCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851657885 588613423 /nfs/dbraw/zinc/61/34/23/588613423.db2.gz PXSFXGGCGMKAAM-GHMZBOCLSA-N 1 0 241.310 0.871 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C)C[NH2+]C)[C@H]1CCCO1 ZINC000851659872 588613426 /nfs/dbraw/zinc/61/34/26/588613426.db2.gz WRMAXEIDLRXTGT-OUAUKWLOSA-N 1 0 239.319 0.074 20 30 BCEDRO C=CCONC(=O)N(C)CC(C)(C)[NH3+] ZINC000851661739 588613597 /nfs/dbraw/zinc/61/35/97/588613597.db2.gz NEABCXMFGAIUBQ-UHFFFAOYSA-N 1 0 201.270 0.483 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851677166 588614428 /nfs/dbraw/zinc/61/44/28/588614428.db2.gz MZGQUZQQPMYADF-BMQDGWLCSA-N 1 0 221.304 0.402 20 30 BCEDRO C#CCN(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851677317 588614446 /nfs/dbraw/zinc/61/44/46/588614446.db2.gz UJUHJKFVMFVGSZ-UHFFFAOYSA-N 1 0 207.277 0.013 20 30 BCEDRO C#CCCNC(=O)NCC1([NH3+])CCCC1 ZINC000851671995 588614508 /nfs/dbraw/zinc/61/45/08/588614508.db2.gz XOMHOCNRHMQDGA-UHFFFAOYSA-N 1 0 209.293 0.580 20 30 BCEDRO C#CCOCC[N@H+]1CCCC[C@@H]1[C@@H](C)O ZINC000851762169 588620254 /nfs/dbraw/zinc/62/02/54/588620254.db2.gz LDLHRUWRLAUUNK-VXGBXAGGSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCOCCN1CC[NH+](C2CC2)CC1 ZINC000851737351 588620396 /nfs/dbraw/zinc/62/03/96/588620396.db2.gz AKVNFASSZOHWMH-UHFFFAOYSA-N 1 0 208.305 0.416 20 30 BCEDRO C#CCOCC[N@@H+](CC)CCC(=O)OC ZINC000851739830 588621327 /nfs/dbraw/zinc/62/13/27/588621327.db2.gz HPCPFLWFBXPYHX-UHFFFAOYSA-N 1 0 213.277 0.521 20 30 BCEDRO C#CCOCC[N@@H+]1CCCC[C@@H]1C1OCCO1 ZINC000851749351 588622544 /nfs/dbraw/zinc/62/25/44/588622544.db2.gz DRGICBYDVVGNHI-GFCCVEGCSA-N 1 0 239.315 0.864 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000851748898 588622917 /nfs/dbraw/zinc/62/29/17/588622917.db2.gz XPPGWGWPHMOLJJ-LBPRGKRZSA-N 1 0 238.331 0.614 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000851751460 588623024 /nfs/dbraw/zinc/62/30/24/588623024.db2.gz NRDNQOKXXRVYRT-QWRGUYRKSA-N 1 0 224.304 0.222 20 30 BCEDRO C#CCOCC[N@@H+](CC(N)=O)C1CCCC1 ZINC000851751404 588623158 /nfs/dbraw/zinc/62/31/58/588623158.db2.gz MJVJQKMEWSNBJF-UHFFFAOYSA-N 1 0 224.304 0.366 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H]1C(=O)NC1CC1 ZINC000851769121 588625415 /nfs/dbraw/zinc/62/54/15/588625415.db2.gz FVUGZWAEHVNRNP-GFCCVEGCSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CCOCCN1CC[NH+]([C@H](CC)CO)CC1 ZINC000851787537 588628588 /nfs/dbraw/zinc/62/85/88/588628588.db2.gz DEVQPEMIPXXARQ-CYBMUJFWSA-N 1 0 240.347 0.025 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](Cc2cnn(C)c2)C1 ZINC000851799887 588630240 /nfs/dbraw/zinc/63/02/40/588630240.db2.gz UQHVABQLHDXQMP-CYBMUJFWSA-N 1 0 247.342 0.934 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000851799163 588630408 /nfs/dbraw/zinc/63/04/08/588630408.db2.gz QWKMCHRROAWKDR-NSHDSACASA-N 1 0 224.304 0.224 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H]1CC(=O)OC ZINC000851859137 588635696 /nfs/dbraw/zinc/63/56/96/588635696.db2.gz KBTNWHXWCMYJDB-NSHDSACASA-N 1 0 225.288 0.664 20 30 BCEDRO C#CCOCCN1CC[N@@H+](CC)[C@H](C)C1 ZINC000851867036 588636571 /nfs/dbraw/zinc/63/65/71/588636571.db2.gz ZYKYWSGNFMPJQL-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000851865968 588636684 /nfs/dbraw/zinc/63/66/84/588636684.db2.gz YSNYLOAFUYIZSI-NEPJUHHUSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCOCC[N@H+]1CCCN(CC(F)F)CC1 ZINC000851884613 588640191 /nfs/dbraw/zinc/64/01/91/588640191.db2.gz SJTIDXRWTNBEEO-UHFFFAOYSA-N 1 0 246.301 0.909 20 30 BCEDRO C#CCOCC[NH2+][C@H](C)[C@@H](C)C(=O)OCC ZINC000851932010 588645106 /nfs/dbraw/zinc/64/51/06/588645106.db2.gz ASEZJDNBQBQDSZ-GHMZBOCLSA-N 1 0 227.304 0.814 20 30 BCEDRO C#CCN(C[C@H](O)C[N@@H+](C)C(C)C)C1CC1 ZINC000851938169 588646318 /nfs/dbraw/zinc/64/63/18/588646318.db2.gz LASULUDEBXGINV-CYBMUJFWSA-N 1 0 224.348 0.785 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000851943047 588646450 /nfs/dbraw/zinc/64/64/50/588646450.db2.gz QEGGPNFGNNCTIN-LBPRGKRZSA-N 1 0 225.288 0.128 20 30 BCEDRO C#CCOCCN(C)CC[N@H+](C)C1CC1 ZINC000851943685 588646468 /nfs/dbraw/zinc/64/64/68/588646468.db2.gz CUVHVPLMASUPOK-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)[C@H]1CCCO1 ZINC000851949119 588646878 /nfs/dbraw/zinc/64/68/78/588646878.db2.gz ADGAQTTZJCACOT-GRYCIOLGSA-N 1 0 239.315 0.908 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@H]1CCCO1 ZINC000851949120 588647248 /nfs/dbraw/zinc/64/72/48/588647248.db2.gz ADGAQTTZJCACOT-SDDRHHMPSA-N 1 0 239.315 0.908 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000851956504 588647990 /nfs/dbraw/zinc/64/79/90/588647990.db2.gz GONNBTSHJRIUQC-MNOVXSKESA-N 1 0 224.304 0.222 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](OCCOC)C1 ZINC000851965652 588648520 /nfs/dbraw/zinc/64/85/20/588648520.db2.gz SUJFFFSZCOGZDG-GFCCVEGCSA-N 1 0 227.304 0.374 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000851975309 588649884 /nfs/dbraw/zinc/64/98/84/588649884.db2.gz PHOPZDKLWIHDKH-GHMZBOCLSA-N 1 0 225.288 0.520 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](C(=O)OC)[C@@H]1C ZINC000851975312 588650213 /nfs/dbraw/zinc/65/02/13/588650213.db2.gz PHOPZDKLWIHDKH-WDEREUQCSA-N 1 0 225.288 0.520 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000851983347 588651444 /nfs/dbraw/zinc/65/14/44/588651444.db2.gz GYMVRIIZIIMNAH-GHMZBOCLSA-N 1 0 224.304 0.141 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@H](OC)[C@H]1CCOC1 ZINC000851990794 588653168 /nfs/dbraw/zinc/65/31/68/588653168.db2.gz WJUSCBVWVSLIGW-SRVKXCTJSA-N 1 0 211.305 0.991 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@@]2(CCO[C@@H]2C)C1 ZINC000851999137 588653758 /nfs/dbraw/zinc/65/37/58/588653758.db2.gz YODOHBKYXPPWRZ-OLZOCXBDSA-N 1 0 239.315 0.516 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H](n2cccn2)C1 ZINC000852070861 588659365 /nfs/dbraw/zinc/65/93/65/588659365.db2.gz WKFLFKNZLGSGFC-LBPRGKRZSA-N 1 0 219.288 0.780 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000852087037 588661014 /nfs/dbraw/zinc/66/10/14/588661014.db2.gz VVHLITLOLQYOCA-NSHDSACASA-N 1 0 224.304 0.189 20 30 BCEDRO C#CCOCC[NH+]1CCC2(CC1)OCCCO2 ZINC000852092187 588661277 /nfs/dbraw/zinc/66/12/77/588661277.db2.gz QJVTUGSXBWJKIG-UHFFFAOYSA-N 1 0 239.315 0.865 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NC(=O)NCCC ZINC000852097578 588662130 /nfs/dbraw/zinc/66/21/30/588662130.db2.gz RJOAFONCHBZONT-LBPRGKRZSA-N 1 0 239.319 0.614 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCC(=O)NC(=O)NC ZINC000852099290 588662714 /nfs/dbraw/zinc/66/27/14/588662714.db2.gz JEBWIBAEFWWCAG-LLVKDONJSA-N 1 0 225.292 0.224 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)NCC(=O)OC ZINC000852102140 588663060 /nfs/dbraw/zinc/66/30/60/588663060.db2.gz WHLNQKLHGFXKJQ-CABZTGNLSA-N 1 0 240.303 0.056 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCC(=O)NCC(=O)OC ZINC000852101378 588663179 /nfs/dbraw/zinc/66/31/79/588663179.db2.gz DJBPKMTWSGBQJQ-LBPRGKRZSA-N 1 0 240.303 0.057 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCCS(=O)(=O)NC ZINC000852102935 588663383 /nfs/dbraw/zinc/66/33/83/588663383.db2.gz TYVJEGBGXRERKW-SNVBAGLBSA-N 1 0 232.349 0.317 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000852113164 588664904 /nfs/dbraw/zinc/66/49/04/588664904.db2.gz VNXCSIJDPUYNGI-RYUDHWBXSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCCN1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000852136485 588666093 /nfs/dbraw/zinc/66/60/93/588666093.db2.gz MQLPWDARSZNCOZ-NEPJUHHUSA-N 1 0 208.305 0.272 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCC(OC)OC ZINC000852137369 588666291 /nfs/dbraw/zinc/66/62/91/588666291.db2.gz YDMQTFWBDWYZOB-ZJUUUORDSA-N 1 0 215.293 0.929 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000852138168 588666307 /nfs/dbraw/zinc/66/63/07/588666307.db2.gz IIGJNDRADCZKBI-NEPJUHHUSA-N 1 0 209.289 0.959 20 30 BCEDRO C#CCNC(=O)C[N@H+](C1CC1)C1(CO)CCC1 ZINC000852158316 588668057 /nfs/dbraw/zinc/66/80/57/588668057.db2.gz DQZCDCDISHMZMZ-UHFFFAOYSA-N 1 0 236.315 0.115 20 30 BCEDRO C#CCOCC[NH+]1CCC(NC(=O)NC)CC1 ZINC000852174003 588669190 /nfs/dbraw/zinc/66/91/90/588669190.db2.gz OYBUIZDXGGBQES-UHFFFAOYSA-N 1 0 239.319 0.030 20 30 BCEDRO C#CCOCCN1C[C@H](C)[N@@H+](CCO)C[C@H]1C ZINC000852181190 588669906 /nfs/dbraw/zinc/66/99/06/588669906.db2.gz DFELVZOYQDJYDC-QWHCGFSZSA-N 1 0 240.347 0.023 20 30 BCEDRO C#CCOCC[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000852186260 588670668 /nfs/dbraw/zinc/67/06/68/588670668.db2.gz YQTQJZXHIRCCBM-VXGBXAGGSA-N 1 0 211.305 0.587 20 30 BCEDRO C#CC1CC[NH+](CCc2c[nH]nn2)CC1 ZINC000852205928 588671640 /nfs/dbraw/zinc/67/16/40/588671640.db2.gz WHTFVQKHFGWNEF-UHFFFAOYSA-N 1 0 204.277 0.692 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000852206291 588671865 /nfs/dbraw/zinc/67/18/65/588671865.db2.gz FXUQPFIDCUYVLU-NEPJUHHUSA-N 1 0 220.316 0.858 20 30 BCEDRO C#C[C@H]1CCCN([C@H]2CON(CC)C2=O)C1 ZINC000852215284 588673358 /nfs/dbraw/zinc/67/33/58/588673358.db2.gz GTXRWHVHZMDZBH-QWRGUYRKSA-N 1 0 222.288 0.494 20 30 BCEDRO C#C[C@@H]1CCC[N@H+](CCc2c[nH]nn2)C1 ZINC000852215071 588673362 /nfs/dbraw/zinc/67/33/62/588673362.db2.gz CQZNTTULIXHCNG-SNVBAGLBSA-N 1 0 204.277 0.692 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000852261864 588674985 /nfs/dbraw/zinc/67/49/85/588674985.db2.gz FHVWLDUEXNAMAP-SECBINFHSA-N 1 0 209.293 0.211 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295700 588677120 /nfs/dbraw/zinc/67/71/20/588677120.db2.gz IHZMWGRELVLERM-SNVBAGLBSA-N 1 0 249.314 0.785 20 30 BCEDRO C=CCN(Cc1cnn(C)n1)[C@H](C)COC ZINC000852356415 588679584 /nfs/dbraw/zinc/67/95/84/588679584.db2.gz DMNYEJPAARCYJL-SNVBAGLBSA-N 1 0 224.308 0.838 20 30 BCEDRO C=CC[C@@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000852411818 588681492 /nfs/dbraw/zinc/68/14/92/588681492.db2.gz VOUCIUODZOSIBK-SNVBAGLBSA-N 1 0 232.349 0.563 20 30 BCEDRO C#CCNC(=O)CC[NH+]1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000852477709 588683370 /nfs/dbraw/zinc/68/33/70/588683370.db2.gz WLAFWCCSMOZWIA-GHMZBOCLSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000852495051 588685254 /nfs/dbraw/zinc/68/52/54/588685254.db2.gz JJUYHSZQANRJOU-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000852495052 588685499 /nfs/dbraw/zinc/68/54/99/588685499.db2.gz JJUYHSZQANRJOU-NWDGAFQWSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000852535785 588687808 /nfs/dbraw/zinc/68/78/08/588687808.db2.gz KUELJJIUYZUROG-RYUDHWBXSA-N 1 0 209.289 0.605 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000852534273 588688687 /nfs/dbraw/zinc/68/86/87/588688687.db2.gz JSOQECMGLPULGJ-IJLUTSLNSA-N 1 0 224.304 0.883 20 30 BCEDRO COCC#CC[N@H+](C)CCN(C)C(=O)OC ZINC000852570058 588691358 /nfs/dbraw/zinc/69/13/58/588691358.db2.gz UBFOMABOGGYHMC-UHFFFAOYSA-N 1 0 228.292 0.266 20 30 BCEDRO N#CCCOCC[NH2+][C@@H]1C[C@H](O)C12CCC2 ZINC000852580752 588691865 /nfs/dbraw/zinc/69/18/65/588691865.db2.gz DZOBMHVIUDQSGA-MNOVXSKESA-N 1 0 224.304 0.810 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852664644 588694285 /nfs/dbraw/zinc/69/42/85/588694285.db2.gz JZEIUUWQBYGVRW-RYUDHWBXSA-N 1 0 209.289 0.605 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852664478 588694576 /nfs/dbraw/zinc/69/45/76/588694576.db2.gz HRCZLDUXNYIVJZ-RYUDHWBXSA-N 1 0 236.315 0.094 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852669117 588694827 /nfs/dbraw/zinc/69/48/27/588694827.db2.gz MKDRZRGGXAPPFR-TUAOUCFPSA-N 1 0 236.315 0.093 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC[C@H]1COC(C)(C)O1 ZINC000852714157 588697404 /nfs/dbraw/zinc/69/74/04/588697404.db2.gz AVIKCALFBLJGEM-ZJUUUORDSA-N 1 0 215.293 0.665 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCn1cncn1 ZINC000852749418 588698672 /nfs/dbraw/zinc/69/86/72/588698672.db2.gz XPJNAYUNXGUWGQ-UHFFFAOYSA-N 1 0 222.292 0.250 20 30 BCEDRO C#CCC[N@H+](CC#CCOC)CCOC ZINC000852751376 588699637 /nfs/dbraw/zinc/69/96/37/588699637.db2.gz ZNYPJOGOUMCRIF-UHFFFAOYSA-N 1 0 209.289 0.608 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@@H]1CCC(=O)N1 ZINC000852750588 588700241 /nfs/dbraw/zinc/70/02/41/588700241.db2.gz ZJVGCRXPQUWILL-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C[N@@H+](CC(=O)NCCC#N)C[C@@H]1CC1(C)C ZINC000852773590 588701706 /nfs/dbraw/zinc/70/17/06/588701706.db2.gz BECPHFRPBGTHFA-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO CC(C)(C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852799084 588703994 /nfs/dbraw/zinc/70/39/94/588703994.db2.gz CZFKRGINZSOZKZ-UHFFFAOYSA-N 1 0 208.305 0.904 20 30 BCEDRO C=CCN(CC=C)C(=O)C1=NO[C@H](C[NH3+])C1 ZINC000852799761 588704106 /nfs/dbraw/zinc/70/41/06/588704106.db2.gz HNEFQHOXVKHQEJ-VIFPVBQESA-N 1 0 223.276 0.291 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(F)s1 ZINC000852827054 588706119 /nfs/dbraw/zinc/70/61/19/588706119.db2.gz AOKGZXSFKFQWDG-BQBZGAKWSA-N 1 0 239.275 0.729 20 30 BCEDRO COCC(C)(C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852825391 588706170 /nfs/dbraw/zinc/70/61/70/588706170.db2.gz PFJIKTFFKFDMQN-UHFFFAOYSA-N 1 0 238.331 0.531 20 30 BCEDRO CC[C@H](O)CCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852828607 588706238 /nfs/dbraw/zinc/70/62/38/588706238.db2.gz MDOUGRLXXNQBQL-LBPRGKRZSA-N 1 0 238.331 0.267 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCc1cscn1 ZINC000852862812 588709327 /nfs/dbraw/zinc/70/93/27/588709327.db2.gz HMUXWHHVUZIBMY-UHFFFAOYSA-N 1 0 249.339 0.762 20 30 BCEDRO CCC/C=C/C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852876158 588709416 /nfs/dbraw/zinc/70/94/16/588709416.db2.gz WNJNAWMGQVYGTK-NUNSBDKSSA-N 1 0 207.277 0.570 20 30 BCEDRO C=CCOCCNC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000852865064 588709511 /nfs/dbraw/zinc/70/95/11/588709511.db2.gz QLFHGGAAHIUGPT-SNVBAGLBSA-N 1 0 216.256 0.007 20 30 BCEDRO Cc1nc[nH]c1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852873041 588709882 /nfs/dbraw/zinc/70/98/82/588709882.db2.gz VBRDDNNDEMMNBU-UHFFFAOYSA-N 1 0 246.314 0.337 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCc1ccco1 ZINC000852874385 588709909 /nfs/dbraw/zinc/70/99/09/588709909.db2.gz OUHRBGGFJBPTGI-UHFFFAOYSA-N 1 0 232.283 0.899 20 30 BCEDRO CC1(C)OC[C@@H]2C[C@@]21C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852875793 588710053 /nfs/dbraw/zinc/71/00/53/588710053.db2.gz PQYUUOLEVUNJQQ-YVNDNENWSA-N 1 0 249.314 0.029 20 30 BCEDRO CSC(C)(C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852875157 588710061 /nfs/dbraw/zinc/71/00/61/588710061.db2.gz FWJHGPYDKSXASN-HTQZYQBOSA-N 1 0 227.333 0.356 20 30 BCEDRO C[C@H](NC(=O)C#CC1CC[NH2+]CC1)c1cn[nH]c1 ZINC000852888925 588711418 /nfs/dbraw/zinc/71/14/18/588711418.db2.gz OHUAIABRSCGAOG-JTQLQIEISA-N 1 0 246.314 0.590 20 30 BCEDRO CO[C@H](C)[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852891550 588711572 /nfs/dbraw/zinc/71/15/72/588711572.db2.gz ZOAGLGMTNLFLAA-WDEREUQCSA-N 1 0 238.331 0.529 20 30 BCEDRO C=CCCOCCNC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861615777 589170237 /nfs/dbraw/zinc/17/02/37/589170237.db2.gz WTVHTAIELPSVLU-SNVBAGLBSA-N 1 0 229.324 0.568 20 30 BCEDRO C#CCCCCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861609741 589170328 /nfs/dbraw/zinc/17/03/28/589170328.db2.gz PBXWMIZVCJQSHE-LLVKDONJSA-N 1 0 239.319 0.078 20 30 BCEDRO C#C[C@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@@H]1CCCO1 ZINC000861618319 589170699 /nfs/dbraw/zinc/17/06/99/589170699.db2.gz RUHMCYPVOUYCCJ-DCAQKATOSA-N 1 0 239.319 0.156 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861624775 589170942 /nfs/dbraw/zinc/17/09/42/589170942.db2.gz ZSRMUXHPNWRNCI-VHSXEESVSA-N 1 0 209.293 0.449 20 30 BCEDRO C[C@H]1CC[C@H](NC(=O)NCCC#N)C[NH2+]1 ZINC000861628195 589171070 /nfs/dbraw/zinc/17/10/70/589171070.db2.gz KHPAHFKWNMBCEF-IUCAKERBSA-N 1 0 210.281 0.340 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861658873 589173624 /nfs/dbraw/zinc/17/36/24/589173624.db2.gz PTXYDGWGTCELKP-SNVBAGLBSA-N 1 0 221.304 0.546 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861675549 589173887 /nfs/dbraw/zinc/17/38/87/589173887.db2.gz QZTAHEGYXZOXRP-VHSXEESVSA-N 1 0 209.293 0.449 20 30 BCEDRO C=CCN(C(=O)NC[C@H]1COCC[NH2+]1)C(C)C ZINC000861682522 589174336 /nfs/dbraw/zinc/17/43/36/589174336.db2.gz RNALFRAKMJSFGM-NSHDSACASA-N 1 0 241.335 0.581 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861691538 589174996 /nfs/dbraw/zinc/17/49/96/589174996.db2.gz WPZAFAZWPYPARR-OUAUKWLOSA-N 1 0 223.320 0.790 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@@H]([N@@H+]2CC[C@H](O)C2)C1 ZINC000861720189 589176111 /nfs/dbraw/zinc/17/61/11/589176111.db2.gz VFWNNCZZHWEZLG-OLZOCXBDSA-N 1 0 248.326 0.067 20 30 BCEDRO CCCCCCCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000861779206 589177658 /nfs/dbraw/zinc/17/76/58/589177658.db2.gz PVSXRJGDTZXHKV-JTQLQIEISA-N 1 0 243.351 0.536 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccns1 ZINC000862411376 589209422 /nfs/dbraw/zinc/20/94/22/589209422.db2.gz YLYWLZDQAVNSLP-UHFFFAOYSA-N 1 0 225.317 0.877 20 30 BCEDRO C#CC[C@@H]1CCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000862566163 589222802 /nfs/dbraw/zinc/22/28/02/589222802.db2.gz JAMBRPGHPNYDQQ-VXGBXAGGSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[C@@H]1CCN(C(=O)[C@@H]2CN(C)CCO2)C1 ZINC000862567721 589223237 /nfs/dbraw/zinc/22/32/37/589223237.db2.gz LIBBSDFBTJSPEE-NEPJUHHUSA-N 1 0 236.315 0.189 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@@H](CCF)C1 ZINC000863073517 589254164 /nfs/dbraw/zinc/25/41/64/589254164.db2.gz VOMPHYKRVNYLIB-NSHDSACASA-N 1 0 244.310 0.691 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](CCF)C1 ZINC000863073516 589254420 /nfs/dbraw/zinc/25/44/20/589254420.db2.gz VOMPHYKRVNYLIB-LLVKDONJSA-N 1 0 244.310 0.691 20 30 BCEDRO CCC(=NNC1=[NH+]CCN1)c1ccc(N)cc1 ZINC000863120203 589260265 /nfs/dbraw/zinc/26/02/65/589260265.db2.gz MQVQMKBEXQMOKL-UHFFFAOYSA-N 1 0 231.303 0.932 20 30 BCEDRO C[C@@H]1CC(=Nn2ccc(=O)[nH]c2=O)CC[N@@H+]1C ZINC000863184009 589269384 /nfs/dbraw/zinc/26/93/84/589269384.db2.gz GMGYBFWZPHPWLE-MRVPVSSYSA-N 1 0 236.275 0.267 20 30 BCEDRO C[C@@H]1CC(=Nn2ccc(=O)[nH]c2=O)CN1C1CC1 ZINC000863185505 589269838 /nfs/dbraw/zinc/26/98/38/589269838.db2.gz WGTGMXUSFZPZON-MRVPVSSYSA-N 1 0 248.286 0.410 20 30 BCEDRO C#CCNC(=S)NC[C@@H]1CCCC[N@@H+](C)C1 ZINC000863218526 589272066 /nfs/dbraw/zinc/27/20/66/589272066.db2.gz WYGRLMYMQNPINK-NSHDSACASA-N 1 0 239.388 0.816 20 30 BCEDRO C[C@@H]([NH3+])CN(C)Cc1ccncc1C#N ZINC000863569037 589300099 /nfs/dbraw/zinc/30/00/99/589300099.db2.gz QQVSCVBZZQNFTD-SECBINFHSA-N 1 0 204.277 0.732 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)CSC ZINC000863589692 589301005 /nfs/dbraw/zinc/30/10/05/589301005.db2.gz VEGRPVUAPASXTL-UWVGGRQHSA-N 1 0 217.334 0.338 20 30 BCEDRO C#CCOc1ccc(C(=O)NC[C@@H](C)[NH3+])cc1 ZINC000863584631 589301908 /nfs/dbraw/zinc/30/19/08/589301908.db2.gz CGOUDNCJGJSFHF-SNVBAGLBSA-N 1 0 232.283 0.776 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000863588737 589302642 /nfs/dbraw/zinc/30/26/42/589302642.db2.gz FDLKONWNVKQCIN-UWVGGRQHSA-N 1 0 233.333 0.047 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]CCS(C)(=O)=O ZINC000863589740 589302650 /nfs/dbraw/zinc/30/26/50/589302650.db2.gz WKSHHEUUWVLFGU-SNVBAGLBSA-N 1 0 233.333 0.049 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)COCC ZINC000863589370 589302700 /nfs/dbraw/zinc/30/27/00/589302700.db2.gz NJTJVPRQHCMCQX-RYUDHWBXSA-N 1 0 229.320 0.402 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)CCOCC ZINC000863589352 589302703 /nfs/dbraw/zinc/30/27/03/589302703.db2.gz NCACHTAASBIKSF-NEPJUHHUSA-N 1 0 229.320 0.402 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)CCOC(C)C ZINC000863589901 589302837 /nfs/dbraw/zinc/30/28/37/589302837.db2.gz ZGJZGGLESDGNCY-QWHCGFSZSA-N 1 0 243.347 0.790 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)C1CC1 ZINC000863589717 589302883 /nfs/dbraw/zinc/30/28/83/589302883.db2.gz VSLJYZNFEXNTNC-RYUDHWBXSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)CSC ZINC000863588585 589302907 /nfs/dbraw/zinc/30/29/07/589302907.db2.gz CCQGHGPEPBMTNL-WDEREUQCSA-N 1 0 231.361 0.728 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)c1ccccn1 ZINC000863589089 589302917 /nfs/dbraw/zinc/30/29/17/589302917.db2.gz JMPZDBMYYMXWFD-YPMHNXCESA-N 1 0 234.299 0.743 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1C[C@H](OC)C1 ZINC000863672976 589309815 /nfs/dbraw/zinc/30/98/15/589309815.db2.gz LSTKCCJFJBGPEJ-MGCOHNPYSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CCCN1CC[NH+]([C@@H](C)COC)CC1 ZINC000119669142 589323149 /nfs/dbraw/zinc/32/31/49/589323149.db2.gz VOQFNIPHNQKZIT-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000863902734 589324529 /nfs/dbraw/zinc/32/45/29/589324529.db2.gz KNJTVCXVIWINHY-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000863913858 589325922 /nfs/dbraw/zinc/32/59/22/589325922.db2.gz VGKYCWRMWFRJDF-GFCCVEGCSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC1([NH2+]C)CCC1 ZINC000863922374 589326288 /nfs/dbraw/zinc/32/62/88/589326288.db2.gz SBOSLNGWBXHXEB-JTQLQIEISA-N 1 0 224.304 0.283 20 30 BCEDRO CC(=O)Nc1ccc(C(C)=NNC(N)=[NH2+])cc1 ZINC000864049076 589334245 /nfs/dbraw/zinc/33/42/45/589334245.db2.gz HDDADXZWGXNNDX-UHFFFAOYSA-N 1 0 233.275 0.852 20 30 BCEDRO C#CCCN1CC[NH+](CCSC)CC1 ZINC000119802946 589334505 /nfs/dbraw/zinc/33/45/05/589334505.db2.gz XNUJGLJVIFAXHM-UHFFFAOYSA-N 1 0 212.362 0.990 20 30 BCEDRO CCNC(NC[C@H](O)[C@@H]1CCCO1)=[NH+]CC ZINC000864355156 589355155 /nfs/dbraw/zinc/35/51/55/589355155.db2.gz DFKIKAIMJXDVCB-UWVGGRQHSA-N 1 0 229.324 0.101 20 30 BCEDRO C=C[C@@](C)(O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000864641868 589386192 /nfs/dbraw/zinc/38/61/92/589386192.db2.gz KZBLJKCZGZEDDD-GXSJLCMTSA-N 1 0 222.292 0.424 20 30 BCEDRO C#CCCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000865477836 589439775 /nfs/dbraw/zinc/43/97/75/589439775.db2.gz KXLDWJBSUSMWEU-LBPRGKRZSA-N 1 0 248.330 0.818 20 30 BCEDRO CN(C)c1ccc(C#N)cc1C[NH2+]C(CO)CO ZINC000865477074 589439822 /nfs/dbraw/zinc/43/98/22/589439822.db2.gz XXISRADCSSFOHT-UHFFFAOYSA-N 1 0 249.314 0.067 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1ccc(=O)[nH]c1 ZINC000865646568 589454105 /nfs/dbraw/zinc/45/41/05/589454105.db2.gz WFJOOKNXXBKIHS-NSHDSACASA-N 1 0 220.272 0.915 20 30 BCEDRO OCC#CCNc1cc[nH+]cc1C(F)(F)F ZINC000865760814 589461319 /nfs/dbraw/zinc/46/13/19/589461319.db2.gz PBFQNTJPFNRLBZ-UHFFFAOYSA-N 1 0 230.189 0.930 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3nccnc3C#N)CC[C@H]21 ZINC000866204962 589479995 /nfs/dbraw/zinc/47/99/95/589479995.db2.gz IHBULMNQCCONBY-CMPLNLGQSA-N 1 0 243.314 0.879 20 30 BCEDRO C#CCSCC(=O)OCCC[NH+](C)C ZINC000885900013 589497203 /nfs/dbraw/zinc/49/72/03/589497203.db2.gz ONECCYMJWRAOMD-UHFFFAOYSA-N 1 0 215.318 0.848 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000866721523 589515443 /nfs/dbraw/zinc/51/54/43/589515443.db2.gz WINQXNDOPNPCLU-QWRGUYRKSA-N 1 0 223.320 0.115 20 30 BCEDRO C#CCCNS(=O)(=O)CCC[NH+]1CCCC1 ZINC000866785630 589518891 /nfs/dbraw/zinc/51/88/91/589518891.db2.gz YMEPEBAJJSPBDT-UHFFFAOYSA-N 1 0 244.360 0.415 20 30 BCEDRO N#Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]C2)co1 ZINC000867964514 589541644 /nfs/dbraw/zinc/54/16/44/589541644.db2.gz OCDSZAJBHIOFAN-SECBINFHSA-N 1 0 233.271 0.881 20 30 BCEDRO C[C@@H]1CN(C(=O)c2coc(C#N)c2)C[C@@H](C)[NH2+]1 ZINC000867967057 589541769 /nfs/dbraw/zinc/54/17/69/589541769.db2.gz YRFHCDYERWAHCN-RKDXNWHRSA-N 1 0 233.271 0.974 20 30 BCEDRO N#Cc1cc(C(=O)N[C@H]2CC[NH2+]C2)co1 ZINC000867965943 589541782 /nfs/dbraw/zinc/54/17/82/589541782.db2.gz JNYSXVVJPAJVAJ-QMMMGPOBSA-N 1 0 205.217 0.243 20 30 BCEDRO C=CCn1cc(C(=O)N2CC[C@@](C)([NH3+])C2)nn1 ZINC000868080787 589548973 /nfs/dbraw/zinc/54/89/73/589548973.db2.gz ZBZOZOXIJUAHLV-LLVKDONJSA-N 1 0 235.291 0.027 20 30 BCEDRO C[NH+](C)C1(C(=O)Nc2n[nH]cc2C#N)CCC1 ZINC000868911327 589582111 /nfs/dbraw/zinc/58/21/11/589582111.db2.gz OJSQSLWKGQRVAM-UHFFFAOYSA-N 1 0 233.275 0.704 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+]CC2(CO)CC2)cc1 ZINC000122393968 589584830 /nfs/dbraw/zinc/58/48/30/589584830.db2.gz ZEHIYTUQNQUFJV-ZDUSSCGKSA-N 1 0 246.310 0.954 20 30 BCEDRO C#CCN(CCS(C)(=O)=O)C(C)C ZINC000122421267 589589167 /nfs/dbraw/zinc/58/91/67/589589167.db2.gz DTLVDKCWVINBJE-UHFFFAOYSA-N 1 0 203.307 0.375 20 30 BCEDRO CC[C@@H]1[C@@H](C(=O)n2ncc(C#N)c2N)CC[N@@H+]1C ZINC000869370148 589601672 /nfs/dbraw/zinc/60/16/72/589601672.db2.gz LJVIAGWGLFHTNB-VHSXEESVSA-N 1 0 247.302 0.707 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@@H](O)C(F)F ZINC000870421944 589664061 /nfs/dbraw/zinc/66/40/61/589664061.db2.gz OGWRTCDFORCHRS-MRVPVSSYSA-N 1 0 236.262 0.237 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@H](C)O[C@H]1C ZINC000870479222 589667841 /nfs/dbraw/zinc/66/78/41/589667841.db2.gz TXWUPFRKGNSRHD-GARJFASQSA-N 1 0 226.320 0.786 20 30 BCEDRO C#CCOCCC(=O)O[C@@H](CC)C[NH+](C)C ZINC000870549980 589674308 /nfs/dbraw/zinc/67/43/08/589674308.db2.gz KTKCNTCIGQXQQF-NSHDSACASA-N 1 0 227.304 0.910 20 30 BCEDRO C=C(CO)C(=O)N1CCC(CC)([NH+](C)C)CC1 ZINC000870572765 589676953 /nfs/dbraw/zinc/67/69/53/589676953.db2.gz AQRBQXUBLOLQCZ-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO N#Cc1cc(C(=O)NC2CC[NH2+]CC2)co1 ZINC000870931660 589697744 /nfs/dbraw/zinc/69/77/44/589697744.db2.gz ZIDJFIZHCHOFOM-UHFFFAOYSA-N 1 0 219.244 0.633 20 30 BCEDRO N#CCc1ccsc1C(=O)NCCC[NH3+] ZINC000870933830 589697984 /nfs/dbraw/zinc/69/79/84/589697984.db2.gz YGMGSNAYXCDFLQ-UHFFFAOYSA-N 1 0 223.301 0.893 20 30 BCEDRO N#Cc1cc(C(=O)N2CCC[NH2+]CC2)co1 ZINC000870932768 589698206 /nfs/dbraw/zinc/69/82/06/589698206.db2.gz JTGGGANVAUGTNU-UHFFFAOYSA-N 1 0 219.244 0.587 20 30 BCEDRO N#Cc1cc(C(=O)N[C@H](CC[NH3+])C(F)F)co1 ZINC000870944164 589700098 /nfs/dbraw/zinc/70/00/98/589700098.db2.gz BZCQWGFVJDOBLS-MRVPVSSYSA-N 1 0 243.213 0.864 20 30 BCEDRO CC[C@@H]([NH3+])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000871012667 589711238 /nfs/dbraw/zinc/71/12/38/589711238.db2.gz ZZUGWHVHRREGTB-CHWSQXEVSA-N 1 0 243.310 0.879 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1Cc2ccccc2C[NH2+]1 ZINC000871598151 589772271 /nfs/dbraw/zinc/77/22/71/589772271.db2.gz HUGMEJHUQSEOLQ-ZDUSSCGKSA-N 1 0 243.310 0.633 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)c1ccnn1C ZINC000871926814 589833312 /nfs/dbraw/zinc/83/33/12/589833312.db2.gz KZXDZQOQUZOLKQ-VHSXEESVSA-N 1 0 236.319 0.761 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+][C@@H]2CCOC[C@H]2O)C1 ZINC000872140886 589877630 /nfs/dbraw/zinc/87/76/30/589877630.db2.gz BZHVVCJDWAHSBZ-NNYUYHANSA-N 1 0 224.304 0.808 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(Cc1ccncc1C#N)C2 ZINC000872153975 589885143 /nfs/dbraw/zinc/88/51/43/589885143.db2.gz KZQHBBKNNJMVPK-UONOGXRCSA-N 1 0 242.326 0.995 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)CC(C)(C)O)C(C)C ZINC000872208304 589892787 /nfs/dbraw/zinc/89/27/87/589892787.db2.gz UBXVQNUDXHZRKA-GHMZBOCLSA-N 1 0 213.321 0.756 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@@H]1CCSC1 ZINC000872216908 589896028 /nfs/dbraw/zinc/89/60/28/589896028.db2.gz ICUOCYNZEGCVOL-LLVKDONJSA-N 1 0 240.372 0.859 20 30 BCEDRO CC(C)(O)C[N@@H+]1CC[C@H](NCCC#N)C1 ZINC000872218185 589896070 /nfs/dbraw/zinc/89/60/70/589896070.db2.gz KJVMORJSBUMSJI-JTQLQIEISA-N 1 0 211.309 0.335 20 30 BCEDRO COC(=O)[C@]12C[C@H]1C[C@H]([NH2+]CCC#N)C2 ZINC000872229958 589897901 /nfs/dbraw/zinc/89/79/01/589897901.db2.gz UJHFUSVFBAMKLA-YWVKMMECSA-N 1 0 208.261 0.831 20 30 BCEDRO C[C@@H](O)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000872238623 589898835 /nfs/dbraw/zinc/89/88/35/589898835.db2.gz IYIVRWSQHTZCEB-NOZJJQNGSA-N 1 0 216.284 0.996 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CC12CCC2 ZINC000872251298 589900772 /nfs/dbraw/zinc/90/07/72/589900772.db2.gz NFFYMVBQUPYJSS-NWDGAFQWSA-N 1 0 237.347 0.725 20 30 BCEDRO N#CC1CC[NH+](CCC2OCCO2)CC1 ZINC000124015405 589903378 /nfs/dbraw/zinc/90/33/78/589903378.db2.gz YESZAYHMEDQBRN-UHFFFAOYSA-N 1 0 210.277 0.985 20 30 BCEDRO CNC(=S)NN=CC1CC[NH+](C)CC1 ZINC000872325978 589913112 /nfs/dbraw/zinc/91/31/12/589913112.db2.gz PJCOEDMVFDFMIU-UHFFFAOYSA-N 1 0 214.338 0.408 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCOC(C)(C)C2)=[NH+]1 ZINC000872363418 589919961 /nfs/dbraw/zinc/91/99/61/589919961.db2.gz DWOPEOQJTDUJCZ-MRVPVSSYSA-N 1 0 224.308 0.869 20 30 BCEDRO COc1nscc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000872364785 589920772 /nfs/dbraw/zinc/92/07/72/589920772.db2.gz UEGOPKRZYLSOEZ-ZCFIWIBFSA-N 1 0 239.304 0.423 20 30 BCEDRO C[C@@H]1C(N=Nc2nccn2C)CC[N@@H+]1C ZINC000872370059 589923065 /nfs/dbraw/zinc/92/30/65/589923065.db2.gz SCGHYAJMBIAGSJ-MRVPVSSYSA-N 1 0 207.281 0.912 20 30 BCEDRO C[C@@H]1C(N=Nc2cncnc2)CC[N@@H+]1C ZINC000872373090 589924357 /nfs/dbraw/zinc/92/43/57/589924357.db2.gz ZBGMJLNXKAEILB-MRVPVSSYSA-N 1 0 205.265 0.969 20 30 BCEDRO CC[C@H](O)CN[NH+]=Cc1c(C)ccnc1N ZINC000872375316 589925122 /nfs/dbraw/zinc/92/51/22/589925122.db2.gz YZESQWHQVASLPO-VIFPVBQESA-N 1 0 222.292 0.667 20 30 BCEDRO C#CCN=NC1CCC[N@@H+]2CCSC[C@@H]12 ZINC000872379882 589927145 /nfs/dbraw/zinc/92/71/45/589927145.db2.gz PCYDVBRSRYTVNN-NSHDSACASA-N 1 0 223.345 0.776 20 30 BCEDRO C[N@H+](CC(=O)NCCC#N)CC1(O)CCCC1 ZINC000124314817 589974962 /nfs/dbraw/zinc/97/49/62/589974962.db2.gz GIPAYPDRMUYSDT-UHFFFAOYSA-N 1 0 239.319 0.253 20 30 BCEDRO C#CCSCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000873057898 589981511 /nfs/dbraw/zinc/98/15/11/589981511.db2.gz FYHFCRBKEDWZON-SNVBAGLBSA-N 1 0 226.345 0.611 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1cccc(F)c1C#N ZINC000873121219 589984913 /nfs/dbraw/zinc/98/49/13/589984913.db2.gz FSEJEJDUCRAVIO-JTQLQIEISA-N 1 0 238.262 0.794 20 30 BCEDRO C#CCNC(=O)C[N@H+]1[C@H](C)CC[C@@H]1CC ZINC000124631663 590067925 /nfs/dbraw/zinc/06/79/25/590067925.db2.gz QWAKMSCQIWBBJB-MNOVXSKESA-N 1 0 208.305 0.999 20 30 BCEDRO C[NH+](C)CC1(C(=O)Nc2cnn(CC#N)c2)CC1 ZINC000874253282 590099761 /nfs/dbraw/zinc/09/97/61/590099761.db2.gz MAPWJCHYSRHLBV-UHFFFAOYSA-N 1 0 247.302 0.687 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)Nc2cnn(CC#N)c2)C1 ZINC000874254119 590099956 /nfs/dbraw/zinc/09/99/56/590099956.db2.gz JLDOZXYAQFXMHP-JTQLQIEISA-N 1 0 247.302 0.687 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)C(OC)OC)CC1 ZINC000874436957 590110447 /nfs/dbraw/zinc/11/04/47/590110447.db2.gz ZDVPNZLTARLHDQ-UHFFFAOYSA-N 1 0 242.319 0.372 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874828442 590142491 /nfs/dbraw/zinc/14/24/91/590142491.db2.gz WMBCCMRGFZPYIX-LOWVWBTDSA-N 1 0 238.331 0.619 20 30 BCEDRO CC(C)(C(=O)NCC[NH3+])c1ccc(C#N)cc1 ZINC000876502754 590203553 /nfs/dbraw/zinc/20/35/53/590203553.db2.gz MIIZJWNBZDTMHD-UHFFFAOYSA-N 1 0 231.299 0.911 20 30 BCEDRO CC(C)(C)C#CC(=O)NC1CC[NH2+]CC1 ZINC000876502524 590203664 /nfs/dbraw/zinc/20/36/64/590203664.db2.gz CAPSAMROOARGBQ-UHFFFAOYSA-N 1 0 208.305 0.904 20 30 BCEDRO C[C@@H]1CN(C(=O)C#CC(C)(C)C)CC[NH2+]1 ZINC000876529713 590209568 /nfs/dbraw/zinc/20/95/68/590209568.db2.gz KXHDPKYYCNUCJI-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C[C@@H](NC(=O)C#CC1CC1)[C@@H]1CCC[NH2+]C1 ZINC000876516414 590206302 /nfs/dbraw/zinc/20/63/02/590206302.db2.gz RJCKKVVOBKJCIE-ZYHUDNBSSA-N 1 0 220.316 0.904 20 30 BCEDRO C[C@H]([NH3+])[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000876534782 590210791 /nfs/dbraw/zinc/21/07/91/590210791.db2.gz SYLGYGKZIIBOMG-CMPLNLGQSA-N 1 0 220.316 0.986 20 30 BCEDRO C[NH2+]C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000876540874 590211966 /nfs/dbraw/zinc/21/19/66/590211966.db2.gz PEKGIPXRUWOUEA-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)NCCC ZINC000876560473 590215441 /nfs/dbraw/zinc/21/54/41/590215441.db2.gz FLHNUMLXOJJCOH-QMMMGPOBSA-N 1 0 247.726 0.099 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCSC ZINC000876561503 590215721 /nfs/dbraw/zinc/21/57/21/590215721.db2.gz KPSLEUZRZOWSAU-ZETCQYMHSA-N 1 0 222.741 0.936 20 30 BCEDRO CC[N@@H+](CC(=O)NC)C[C@@H](C)CCC#N ZINC000876577613 590218013 /nfs/dbraw/zinc/21/80/13/590218013.db2.gz GHHDXAQCTDFZJI-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)OCC ZINC000876617554 590221620 /nfs/dbraw/zinc/22/16/20/590221620.db2.gz BRANOBHFBXJVCK-JGVFFNPUSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1cnn(C)c1 ZINC000876618935 590222411 /nfs/dbraw/zinc/22/24/11/590222411.db2.gz JNHNVEGUWGRRQI-VIFPVBQESA-N 1 0 242.710 0.506 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](C)COC ZINC000876622301 590222758 /nfs/dbraw/zinc/22/27/58/590222758.db2.gz DXIRSVVIRBHFGL-CBAPKCEASA-N 1 0 234.727 0.855 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)CCOC ZINC000876636991 590225010 /nfs/dbraw/zinc/22/50/10/590225010.db2.gz HRJWJZABRCCYSM-RKDXNWHRSA-N 1 0 234.727 0.998 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@H]1CCOC1 ZINC000876647184 590225539 /nfs/dbraw/zinc/22/55/39/590225539.db2.gz ILZMVYPOOSRQEJ-IUCAKERBSA-N 1 0 232.711 0.704 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CCC(=O)NC ZINC000876644050 590225559 /nfs/dbraw/zinc/22/55/59/590225559.db2.gz UZHYBYUJFNOPLG-MRVPVSSYSA-N 1 0 247.726 0.051 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CCO)C(C)C ZINC000876656029 590226936 /nfs/dbraw/zinc/22/69/36/590226936.db2.gz CAAZWZYYNBPYRV-ZJUUUORDSA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](O)CCC ZINC000876659108 590227352 /nfs/dbraw/zinc/22/73/52/590227352.db2.gz NOSXNGMNNGVYCB-RKDXNWHRSA-N 1 0 234.727 0.734 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](CC)CCO ZINC000876668043 590227937 /nfs/dbraw/zinc/22/79/37/590227937.db2.gz FMGNINKVZHDFCU-NXEZZACHSA-N 1 0 248.754 0.981 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCN(CC)CC1 ZINC000876706799 590232171 /nfs/dbraw/zinc/23/21/71/590232171.db2.gz HDBOIFUISJCYND-JTQLQIEISA-N 1 0 245.754 0.620 20 30 BCEDRO C#CC[NH+](CC#C)C[C@H](OC)C1CCOCC1 ZINC000876744906 590235920 /nfs/dbraw/zinc/23/59/20/590235920.db2.gz GVKCUCSRIBSHDZ-AWEZNQCLSA-N 1 0 235.327 0.996 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)Cc1cc[nH]n1 ZINC000876758428 590238815 /nfs/dbraw/zinc/23/88/15/590238815.db2.gz IWVJTPHONQOAAO-VIFPVBQESA-N 1 0 242.710 0.838 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1ncc[nH]1 ZINC000876763777 590239948 /nfs/dbraw/zinc/23/99/48/590239948.db2.gz HMMQBBSIRAXVJP-ZETCQYMHSA-N 1 0 228.683 0.496 20 30 BCEDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C#CC3CC3)C[C@H]21 ZINC000876799957 590243079 /nfs/dbraw/zinc/24/30/79/590243079.db2.gz NCSLLERGZMMGPV-YNEHKIRRSA-N 1 0 232.327 0.986 20 30 BCEDRO CNc1ccccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801918 590243163 /nfs/dbraw/zinc/24/31/63/590243163.db2.gz KJSLBJONDHTXES-CABZTGNLSA-N 1 0 244.298 0.570 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cnn(C2CC2)c1 ZINC000876801351 590243196 /nfs/dbraw/zinc/24/31/96/590243196.db2.gz BLOGLAGXUJKVDS-LDYMZIIASA-N 1 0 245.286 0.059 20 30 BCEDRO CCOC1CC(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000876801556 590243198 /nfs/dbraw/zinc/24/31/98/590243198.db2.gz FIWLVHFUEWOQBZ-YIYTYNFBSA-N 1 0 237.303 0.029 20 30 BCEDRO CCO[C@H](C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)C1CC1 ZINC000876801818 590243262 /nfs/dbraw/zinc/24/32/62/590243262.db2.gz JHUVUOAZBSUYIX-MXWKQRLJSA-N 1 0 237.303 0.029 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CCCC12CC2 ZINC000876801326 590243417 /nfs/dbraw/zinc/24/34/17/590243417.db2.gz BBCMHTZPNFDPJF-OUAUKWLOSA-N 1 0 233.315 0.794 20 30 BCEDRO Cc1cocc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801262 590243453 /nfs/dbraw/zinc/24/34/53/590243453.db2.gz AELPVKAKRINYJP-SCZZXKLOSA-N 1 0 219.244 0.429 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)[C@@H](C)O1 ZINC000876802252 590243507 /nfs/dbraw/zinc/24/35/07/590243507.db2.gz NMZUPDJAXOMVGW-MVCUBJFGSA-N 1 0 237.303 0.028 20 30 BCEDRO CCn1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(C)n1 ZINC000876802303 590243520 /nfs/dbraw/zinc/24/35/20/590243520.db2.gz NTCZJPFNRBVSQC-ONGXEEELSA-N 1 0 247.302 0.053 20 30 BCEDRO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876803024 590243829 /nfs/dbraw/zinc/24/38/29/590243829.db2.gz UFKWDCCQLBCEPS-GWOFURMSSA-N 1 0 235.331 0.896 20 30 BCEDRO C[C@H](CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N)C(F)(F)F ZINC000876803602 590243915 /nfs/dbraw/zinc/24/39/15/590243915.db2.gz XLIYXDNWEZVVCA-BWZBUEFSSA-N 1 0 249.236 0.803 20 30 BCEDRO CC(C)(C)C#CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876802573 590243994 /nfs/dbraw/zinc/24/39/94/590243994.db2.gz QRECYUKYPIONJN-UWVGGRQHSA-N 1 0 219.288 0.264 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(F)cc1N ZINC000876803953 590244353 /nfs/dbraw/zinc/24/43/53/590244353.db2.gz ZWCDXFWTDCZTDZ-CPCISQLKSA-N 1 0 248.261 0.249 20 30 BCEDRO O=C(C#CC1CC1)NCC1=CC[NH2+]CC1 ZINC000876808718 590244762 /nfs/dbraw/zinc/24/47/62/590244762.db2.gz AIIGEOBXWKOSJT-UHFFFAOYSA-N 1 0 204.273 0.436 20 30 BCEDRO C[C@H]1C[C@H](NC(=O)C#CC2CC2)CC[NH2+]1 ZINC000876835650 590247948 /nfs/dbraw/zinc/24/79/48/590247948.db2.gz ZFTQMQCYHFZEGP-GXSJLCMTSA-N 1 0 206.289 0.657 20 30 BCEDRO C[C@]1(C[NH3+])CCN(C(=O)C#CC2CC2)C1 ZINC000876840169 590248463 /nfs/dbraw/zinc/24/84/63/590248463.db2.gz LFDXNOUDQLCQES-GFCCVEGCSA-N 1 0 206.289 0.597 20 30 BCEDRO C=CCN(C)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876844072 590248788 /nfs/dbraw/zinc/24/87/88/590248788.db2.gz YUDCRMJSXWXGKC-BDAKNGLRSA-N 1 0 200.257 0.578 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@H]2C[NH2+]C[C@H]2CC1 ZINC000876858700 590250668 /nfs/dbraw/zinc/25/06/68/590250668.db2.gz IFHCGGVJPDOVQY-BETUJISGSA-N 1 0 232.327 0.858 20 30 BCEDRO O=C(C#CC1CC1)N1CCC[C@H]2C[NH2+]C[C@H]21 ZINC000876869751 590251557 /nfs/dbraw/zinc/25/15/57/590251557.db2.gz DARBPOJNTRODLH-NWDGAFQWSA-N 1 0 218.300 0.610 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000876871845 590251816 /nfs/dbraw/zinc/25/18/16/590251816.db2.gz YXOOKVQULNDJQQ-LLVKDONJSA-N 1 0 238.331 0.531 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872235 590252094 /nfs/dbraw/zinc/25/20/94/590252094.db2.gz WDUOZFXJTBDUOQ-MNOVXSKESA-N 1 0 220.316 0.856 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)OC ZINC000876908500 590255951 /nfs/dbraw/zinc/25/59/51/590255951.db2.gz NEHDRJQXMRFNSC-CIUDSAMLSA-N 1 0 234.727 0.996 20 30 BCEDRO CN(C(=O)C#CC1CC1)[C@@H](C[NH3+])C1CC1 ZINC000876914921 590256339 /nfs/dbraw/zinc/25/63/39/590256339.db2.gz YODNFTBWPYYZGS-NSHDSACASA-N 1 0 206.289 0.596 20 30 BCEDRO CN(C(=O)C#CC1CC1)[C@H](C[NH3+])C1CC1 ZINC000876914920 590256353 /nfs/dbraw/zinc/25/63/53/590256353.db2.gz YODNFTBWPYYZGS-LLVKDONJSA-N 1 0 206.289 0.596 20 30 BCEDRO C#CCNC(=O)c1c(C)cnn1[C@@H]1CCC[NH2+]C1 ZINC000876944129 590259373 /nfs/dbraw/zinc/25/93/73/590259373.db2.gz ZSFTUEXINNTONT-LLVKDONJSA-N 1 0 246.314 0.479 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CCCCN1 ZINC000876941274 590259381 /nfs/dbraw/zinc/25/93/81/590259381.db2.gz CWFSRGTVSFEPEO-QMMMGPOBSA-N 1 0 217.700 0.583 20 30 BCEDRO C#CCNC(=O)[C@@H]([NH3+])c1cccc(OC)c1 ZINC000876944073 590259449 /nfs/dbraw/zinc/25/94/49/590259449.db2.gz XPFHUGUULAAZJW-NSHDSACASA-N 1 0 218.256 0.444 20 30 BCEDRO [NH3+]CC1(CCNC(=O)C#CC2CC2)CC1 ZINC000876947420 590260086 /nfs/dbraw/zinc/26/00/86/590260086.db2.gz GSDTYBVRYAAHPE-UHFFFAOYSA-N 1 0 206.289 0.645 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CCN1C(=O)C#CC1CC1 ZINC000876952424 590260457 /nfs/dbraw/zinc/26/04/57/590260457.db2.gz OVPZKQRDNPLEGX-ONGXEEELSA-N 1 0 206.289 0.738 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)Cc1c[nH]cn1 ZINC000876956898 590260759 /nfs/dbraw/zinc/26/07/59/590260759.db2.gz RHNGGXNURLPHST-VIFPVBQESA-N 1 0 242.710 0.838 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CO)C1CCC1 ZINC000876959248 590261650 /nfs/dbraw/zinc/26/16/50/590261650.db2.gz QVTCHAPKRJJZDV-NXEZZACHSA-N 1 0 246.738 0.734 20 30 BCEDRO C=CCCNC(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000876962204 590261955 /nfs/dbraw/zinc/26/19/55/590261955.db2.gz OBAXRAIPXYJLCG-RKDXNWHRSA-N 1 0 200.257 0.626 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCCCO ZINC000876962246 590262197 /nfs/dbraw/zinc/26/21/97/590262197.db2.gz PCSSJGDFKZSUQF-QMMMGPOBSA-N 1 0 220.700 0.345 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000876974682 590263446 /nfs/dbraw/zinc/26/34/46/590263446.db2.gz PJUGDTZLTRKRMO-NXEZZACHSA-N 1 0 226.320 0.679 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000876985373 590265073 /nfs/dbraw/zinc/26/50/73/590265073.db2.gz ZBYIFDKEQPORSQ-UHFFFAOYSA-N 1 0 236.315 0.237 20 30 BCEDRO CC(C)(C)C#CC(=O)NCCOCCC[NH3+] ZINC000877053664 590271230 /nfs/dbraw/zinc/27/12/30/590271230.db2.gz VOIFSLJWJAEAIB-UHFFFAOYSA-N 1 0 226.320 0.518 20 30 BCEDRO C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C[NH2+]1 ZINC000877052941 590275421 /nfs/dbraw/zinc/27/54/21/590275421.db2.gz YTZBRCPUSQIPQY-KOLCDFICSA-N 1 0 206.289 0.657 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](O)c1cnn(C)c1 ZINC000877072225 590277944 /nfs/dbraw/zinc/27/79/44/590277944.db2.gz IQEFYCXRPNWBMS-ZYHUDNBSSA-N 1 0 236.319 0.983 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NC1(C(F)F)CC1 ZINC000877080483 590280089 /nfs/dbraw/zinc/28/00/89/590280089.db2.gz RACMBTHAQCYJKW-UHFFFAOYSA-N 1 0 242.269 0.903 20 30 BCEDRO C=CCCn1cc(C(=O)N(C)C[C@H](C)[NH3+])nn1 ZINC000877105416 590284833 /nfs/dbraw/zinc/28/48/33/590284833.db2.gz OVYFFWRJOATSFV-VIFPVBQESA-N 1 0 237.307 0.273 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)CC1(C#N)CCOCC1 ZINC000877105801 590285049 /nfs/dbraw/zinc/28/50/49/590285049.db2.gz NLLZDRAZDSARLL-SNVBAGLBSA-N 1 0 239.319 0.502 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]1C ZINC000877108522 590286173 /nfs/dbraw/zinc/28/61/73/590286173.db2.gz PIDFVNRKOYRNFL-LPBLVHEISA-N 1 0 202.685 0.981 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)Nc1cc[nH]n1 ZINC000877119603 590289061 /nfs/dbraw/zinc/28/90/61/590289061.db2.gz IWWONMRRYBOHBL-UHFFFAOYSA-N 1 0 218.260 0.351 20 30 BCEDRO C#CCCCCCC[NH2+]CCc1nnnn1C ZINC000877133770 590291168 /nfs/dbraw/zinc/29/11/68/590291168.db2.gz OQHCPKPXIKQGRU-UHFFFAOYSA-N 1 0 235.335 0.926 20 30 BCEDRO C=C(Cl)C[C@@H](NC(=O)C[NH2+]C)C(=O)OCC ZINC000877144411 590291449 /nfs/dbraw/zinc/29/14/49/590291449.db2.gz MBDHTVPKYUBBEQ-MRVPVSSYSA-N 1 0 248.710 0.396 20 30 BCEDRO O=C(C#CC1CC1)N[C@]12CCC[C@H]1[NH2+]CC2 ZINC000877384383 590321017 /nfs/dbraw/zinc/32/10/17/590321017.db2.gz FTODTIUOYLEQFS-YPMHNXCESA-N 1 0 218.300 0.801 20 30 BCEDRO CCN(OC)C(=O)C[NH2+]C[C@@H](C)CCC#N ZINC000877606895 590372152 /nfs/dbraw/zinc/37/21/52/590372152.db2.gz OEZWVGDSXGZEDD-JTQLQIEISA-N 1 0 227.308 0.926 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)Cn1cncn1)C1CCOCC1 ZINC000877638151 590381997 /nfs/dbraw/zinc/38/19/97/590381997.db2.gz SZBLZUSSLYAXHJ-AAEUAGOBSA-N 1 0 248.330 0.685 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ncnn1CC ZINC000877661039 590386639 /nfs/dbraw/zinc/38/66/39/590386639.db2.gz VVBDHASKGGEANH-NSHDSACASA-N 1 0 236.319 0.816 20 30 BCEDRO CON(C)C(=O)[C@@H](C)[NH2+]C[C@@H](C)CCC#N ZINC000877660564 590387120 /nfs/dbraw/zinc/38/71/20/590387120.db2.gz NQAWQCGWKMRNEF-VHSXEESVSA-N 1 0 227.308 0.924 20 30 BCEDRO C=CC[C@@H](C(=O)OC)N1CCO[C@@H](C)C1 ZINC000877896398 590441932 /nfs/dbraw/zinc/44/19/32/590441932.db2.gz ZFFISXCTCAVOIS-UWVGGRQHSA-N 1 0 213.277 0.825 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCOC[C@H]1O ZINC000877836705 590431977 /nfs/dbraw/zinc/43/19/77/590431977.db2.gz HKOZSZRVIKCACD-HBNTYKKESA-N 1 0 212.293 0.666 20 30 BCEDRO C=C(C)C[N@H+](CC)CCc1nnnn1C ZINC000877936005 590452405 /nfs/dbraw/zinc/45/24/05/590452405.db2.gz PZEFBQTVMINFPL-UHFFFAOYSA-N 1 0 209.297 0.651 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCC[C@H](NS(C)(=O)=O)C1 ZINC000878034634 590476044 /nfs/dbraw/zinc/47/60/44/590476044.db2.gz IOEPUDUMFBFNOM-QWRGUYRKSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCC[C@@H](NS(C)(=O)=O)C1 ZINC000878034635 590476230 /nfs/dbraw/zinc/47/62/30/590476230.db2.gz IOEPUDUMFBFNOM-WDEREUQCSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000878094388 590491272 /nfs/dbraw/zinc/49/12/72/590491272.db2.gz UAIYKONIFHAFJL-JTQLQIEISA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC1CC[NH+](CCc2nnnn2C)CC1 ZINC000878093476 590491663 /nfs/dbraw/zinc/49/16/63/590491663.db2.gz JHRPCPIXUWPXSL-UHFFFAOYSA-N 1 0 221.308 0.651 20 30 BCEDRO C=CC[C@H](C(=O)OC)N(C)[C@@H]1CCN(C)C1=O ZINC000878120930 590499019 /nfs/dbraw/zinc/49/90/19/590499019.db2.gz PPHNVGOKWAEMHM-NXEZZACHSA-N 1 0 240.303 0.267 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+](C)C[C@H](C)C(=O)NC ZINC000878161779 590510542 /nfs/dbraw/zinc/51/05/42/590510542.db2.gz CBUPPBAOEGWLSG-VHSXEESVSA-N 1 0 242.319 0.418 20 30 BCEDRO C=CC[C@H](C)[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000878264040 590527343 /nfs/dbraw/zinc/52/73/43/590527343.db2.gz AGVSLWJZUYCTHO-WDEREUQCSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CCC[C@](C)(O)C1 ZINC000878328259 590547286 /nfs/dbraw/zinc/54/72/86/590547286.db2.gz FZXCTFFXQHDNSX-PWSUYJOCSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@@H](C)N1CCN(CCOC)C(=O)C1 ZINC000878336064 590549005 /nfs/dbraw/zinc/54/90/05/590549005.db2.gz CCEZSQNAVATIOB-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H]([C@@H](C)O)C1 ZINC000878391003 590558641 /nfs/dbraw/zinc/55/86/41/590558641.db2.gz GLZXRRHVSKAKMA-OUAUKWLOSA-N 1 0 227.304 0.807 20 30 BCEDRO C=CC[N@@H+](CCc1ccco1)CCn1cnnn1 ZINC000878386005 590559039 /nfs/dbraw/zinc/55/90/39/590559039.db2.gz LTJJTLHFYFFDMT-UHFFFAOYSA-N 1 0 247.302 0.997 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](O)[C@H](C)C1 ZINC000878464404 590571748 /nfs/dbraw/zinc/57/17/48/590571748.db2.gz XCCPLIVEMFKUDP-GMTAPVOTSA-N 1 0 227.304 0.807 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)CC1(O)CCOCC1 ZINC000878516949 590585368 /nfs/dbraw/zinc/58/53/68/590585368.db2.gz LXQYDOXAVRVTLG-NWDGAFQWSA-N 1 0 241.331 0.232 20 30 BCEDRO C=C[C@H]1CCCC[N@@H+]1CCn1cnnn1 ZINC000878525326 590586666 /nfs/dbraw/zinc/58/66/66/590586666.db2.gz ZKDSBJIOMUAQMI-JTQLQIEISA-N 1 0 207.281 0.714 20 30 BCEDRO C#CCCCCC[N@@H+](C)[C@@H](COC)C(N)=O ZINC000878649720 590601877 /nfs/dbraw/zinc/60/18/77/590601877.db2.gz HZUVUOOYMQTFDC-NSHDSACASA-N 1 0 226.320 0.612 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCc1nnnn1C ZINC000878660402 590604622 /nfs/dbraw/zinc/60/46/22/590604622.db2.gz HCCIPJITNPUDTD-JTQLQIEISA-N 1 0 207.281 0.144 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCc1nnnn1C ZINC000878660403 590604629 /nfs/dbraw/zinc/60/46/29/590604629.db2.gz HCCIPJITNPUDTD-SNVBAGLBSA-N 1 0 207.281 0.144 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000878660854 590604899 /nfs/dbraw/zinc/60/48/99/590604899.db2.gz NWRRAKYWDMVATR-JQWIXIFHSA-N 1 0 213.321 0.900 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000878696120 590611000 /nfs/dbraw/zinc/61/10/00/590611000.db2.gz VEIWXQSIERHZIJ-VWYCJHECSA-N 1 0 224.304 0.540 20 30 BCEDRO C#CCC[N@@H+]1[C@H](C)C(=O)N(C)[C@H](C)[C@H]1C ZINC000878752090 590618654 /nfs/dbraw/zinc/61/86/54/590618654.db2.gz GNUMDOAYJQQLOF-GMTAPVOTSA-N 1 0 208.305 0.949 20 30 BCEDRO C#CC1CC[NH+](CCn2cnnn2)CC1 ZINC000878763637 590619784 /nfs/dbraw/zinc/61/97/84/590619784.db2.gz JTYRVQYDIIFWPG-UHFFFAOYSA-N 1 0 205.265 0.018 20 30 BCEDRO C#CC1CC[NH+](C[C@H](O)CC(C)(C)O)CC1 ZINC000878763635 590619972 /nfs/dbraw/zinc/61/99/72/590619972.db2.gz JPYJGGOCLCFRCY-GFCCVEGCSA-N 1 0 225.332 0.854 20 30 BCEDRO C#CC1CC[NH+](C[C@@H](O)CC(C)(C)O)CC1 ZINC000878763636 590620071 /nfs/dbraw/zinc/62/00/71/590620071.db2.gz JPYJGGOCLCFRCY-LBPRGKRZSA-N 1 0 225.332 0.854 20 30 BCEDRO C[C@@H]1C[NH+](C[C@@H](O)C2CC2)C[C@@H](C)N1CC#N ZINC000878772343 590621260 /nfs/dbraw/zinc/62/12/60/590621260.db2.gz LFEITQSJFNRZKV-NQBHXWOUSA-N 1 0 237.347 0.675 20 30 BCEDRO Cn1nnnc1CC[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000878886760 590639704 /nfs/dbraw/zinc/63/97/04/590639704.db2.gz ONRVVHFNFWTXDH-JTQLQIEISA-N 1 0 234.307 0.378 20 30 BCEDRO C#CC[N@@H+](C[C@H]1CNC(=O)C1)C1CSC1 ZINC000878909825 590646777 /nfs/dbraw/zinc/64/67/77/590646777.db2.gz CSYBYFJOAPEZJK-SECBINFHSA-N 1 0 224.329 0.173 20 30 BCEDRO C#CC[N@@H+](CCC(=O)NC)C1CSC1 ZINC000878913328 590648991 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C=C(C)C[N@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879480666 590779464 /nfs/dbraw/zinc/77/94/64/590779464.db2.gz PEAMAEQLAHPCSD-GFCCVEGCSA-N 1 0 238.287 0.956 20 30 BCEDRO C=CCC[N@H+]1CC[C@@]2(CC(C(=O)OC)=NO2)C1 ZINC000879482456 590779811 /nfs/dbraw/zinc/77/98/11/590779811.db2.gz SLUYGYJVESHTPK-GFCCVEGCSA-N 1 0 238.287 0.956 20 30 BCEDRO C=CC(C)(C)CC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000879484341 590780418 /nfs/dbraw/zinc/78/04/18/590780418.db2.gz SKARFEOKFSEUCR-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO COCC#CCN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579286 590818154 /nfs/dbraw/zinc/81/81/54/590818154.db2.gz ZAQHLTQAQZOHEL-STQMWFEESA-N 1 0 222.332 0.662 20 30 BCEDRO C#CCOCCN1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000879580315 590819679 /nfs/dbraw/zinc/81/96/79/590819679.db2.gz SINJYTYAYBRDIW-OLZOCXBDSA-N 1 0 222.332 0.662 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](O)CC(C)(C)C1 ZINC000879624588 590838865 /nfs/dbraw/zinc/83/88/65/590838865.db2.gz XKQQEOIHXHNFGP-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000879696579 590851262 /nfs/dbraw/zinc/85/12/62/590851262.db2.gz RFFIVEIJZLRYCQ-UTUOFQBUSA-N 1 0 211.305 0.321 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@@H]21 ZINC000879720812 590854721 /nfs/dbraw/zinc/85/47/21/590854721.db2.gz HQLVUVNRSDXAHK-NWDGAFQWSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879720813 590855705 /nfs/dbraw/zinc/85/57/05/590855705.db2.gz HQLVUVNRSDXAHK-RYUDHWBXSA-N 1 0 236.315 0.379 20 30 BCEDRO CC#CCC[NH+]1CCC(CO)(CO)CC1 ZINC000879970837 590900477 /nfs/dbraw/zinc/90/04/77/590900477.db2.gz FBLCJUVHYUGPTF-UHFFFAOYSA-N 1 0 211.305 0.467 20 30 BCEDRO C[C@H](CCC#N)[NH+]1CCC(CO)(CO)CC1 ZINC000879971022 590901437 /nfs/dbraw/zinc/90/14/37/590901437.db2.gz KJQZCPPECXVUOR-LLVKDONJSA-N 1 0 226.320 0.745 20 30 BCEDRO C=C(Cl)CN1C[C@@H]2CCC[N@H+]2C[C@@H]1CO ZINC000880071285 590917432 /nfs/dbraw/zinc/91/74/32/590917432.db2.gz WXFNFIXAWFOORQ-WDEREUQCSA-N 1 0 230.739 0.880 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)C1(COC)CCC1 ZINC000880188050 590955445 /nfs/dbraw/zinc/95/54/45/590955445.db2.gz WZAMKCAWOYFQCI-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO N#CCNC(=O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880231995 590963563 /nfs/dbraw/zinc/96/35/63/590963563.db2.gz CUNOMZSFRHBAPN-VIFPVBQESA-N 1 0 213.256 0.308 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](CF)C1 ZINC000880235965 590966333 /nfs/dbraw/zinc/96/63/33/590966333.db2.gz UGCXKHSKNFQPTD-QWRGUYRKSA-N 1 0 226.295 0.806 20 30 BCEDRO C#CCCC[N@@H+]1C[C@H]2CN(C(C)=O)C[C@H]2C1 ZINC000880311672 591000283 /nfs/dbraw/zinc/00/02/83/591000283.db2.gz LSYGNFCFVAYTKC-BETUJISGSA-N 1 0 220.316 0.810 20 30 BCEDRO N#Cc1ccc([C@H](O)C[N@@H+]2C[C@@H]3C[C@]3(O)C2)cc1 ZINC000880415985 591026043 /nfs/dbraw/zinc/02/60/43/591026043.db2.gz FGGABCRKAGFISP-MJBXVCDLSA-N 1 0 244.294 0.658 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2[C@H](C)CC[C@@H]2CO)C1=O ZINC000880439560 591041820 /nfs/dbraw/zinc/04/18/20/591041820.db2.gz DEULIQOGPBGMKE-IJLUTSLNSA-N 1 0 238.331 0.619 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC000880443020 591043614 /nfs/dbraw/zinc/04/36/14/591043614.db2.gz BFTZNGMFFKHBLP-AXFHLTTASA-N 1 0 212.293 0.760 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1[C@@H](C)CC[C@H]1CO ZINC000880443021 591044486 /nfs/dbraw/zinc/04/44/86/591044486.db2.gz BFTZNGMFFKHBLP-DCAQKATOSA-N 1 0 212.293 0.760 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NOCCCC(=O)OC ZINC000888816379 591048589 /nfs/dbraw/zinc/04/85/89/591048589.db2.gz IGEIGDOFMMJQBD-UHFFFAOYSA-N 1 0 244.291 0.105 20 30 BCEDRO C#CCC1(O)CC[NH+](CCn2ccnc2)CC1 ZINC000880481113 591055221 /nfs/dbraw/zinc/05/52/21/591055221.db2.gz MHPPJZXQXGJRFY-UHFFFAOYSA-N 1 0 233.315 0.733 20 30 BCEDRO N#Cc1ccc([C@H](O)C[N@H+]2CC=C[C@@H]2CO)cc1 ZINC000880486389 591059850 /nfs/dbraw/zinc/05/98/50/591059850.db2.gz BGKWULCGCHLOKO-ZIAGYGMSSA-N 1 0 244.294 0.824 20 30 BCEDRO N#CCSCCC[N@H+]1CC=C[C@H]1CO ZINC000880486207 591061565 /nfs/dbraw/zinc/06/15/65/591061565.db2.gz MCDIJVNJLMWISP-JTQLQIEISA-N 1 0 212.318 0.866 20 30 BCEDRO CC(C)OC[C@H](O)CO[NH+]=C(N)C(C)C ZINC000128469015 591079505 /nfs/dbraw/zinc/07/95/05/591079505.db2.gz QXBYZZBXRBIGSO-VIFPVBQESA-N 1 0 218.297 0.717 20 30 BCEDRO COCC#CC[NH+]1CCC2(CC1)COCCO2 ZINC000880546473 591087407 /nfs/dbraw/zinc/08/74/07/591087407.db2.gz VCUOLNMEKGCNJI-UHFFFAOYSA-N 1 0 239.315 0.518 20 30 BCEDRO COC(=O)[C@]1(O)CC[N@@H+]([C@@H]2CC[C@H](C#N)C2)C1 ZINC000880565604 591097436 /nfs/dbraw/zinc/09/74/36/591097436.db2.gz MXUSLSCLTPNIEO-UMNHJUIQSA-N 1 0 238.287 0.288 20 30 BCEDRO CC#CC[N@@H+]1C[C@H](O)CC2(CCOCC2)C1 ZINC000880583598 591100348 /nfs/dbraw/zinc/10/03/48/591100348.db2.gz ZWOKLOYXUIKYSV-GFCCVEGCSA-N 1 0 223.316 0.873 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)NCCC#CC)C1 ZINC000888828874 591122516 /nfs/dbraw/zinc/12/25/16/591122516.db2.gz PXPWQKVKCPNTGK-CYBMUJFWSA-N 1 0 247.342 0.797 20 30 BCEDRO N#Cc1ccc(Cn2cc(CCC[NH3+])nn2)o1 ZINC000881302802 591184277 /nfs/dbraw/zinc/18/42/77/591184277.db2.gz JPGRYLBKRVTRHN-UHFFFAOYSA-N 1 0 231.259 0.682 20 30 BCEDRO C#CCOCCC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000128949068 591193531 /nfs/dbraw/zinc/19/35/31/591193531.db2.gz LLHSPBRQVGDMAT-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C=C[C@@](C)(O)c1cn(CC2CC[NH2+]CC2)nn1 ZINC000881429104 591204832 /nfs/dbraw/zinc/20/48/32/591204832.db2.gz QQDGGHRBWQSBBQ-GFCCVEGCSA-N 1 0 236.319 0.671 20 30 BCEDRO Cc1ccc(NC[C@](C)(O)C[NH+](C)C)c(C#N)n1 ZINC000882128589 591302440 /nfs/dbraw/zinc/30/24/40/591302440.db2.gz ZNECCZKAUFQMDI-ZDUSSCGKSA-N 1 0 248.330 0.986 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)[nH]1 ZINC000882488827 591367632 /nfs/dbraw/zinc/36/76/32/591367632.db2.gz JQIUWDWJLAWFJA-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000882492678 591372170 /nfs/dbraw/zinc/37/21/70/591372170.db2.gz BSYSXXJDCVCXSG-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1coc(C#N)c1 ZINC000882497897 591378988 /nfs/dbraw/zinc/37/89/88/591378988.db2.gz NLSKMDYVSSKTTH-JTQLQIEISA-N 1 0 233.271 0.975 20 30 BCEDRO C#CC1(NC(=O)[C@H](C)[NH+](C)C)CCCC1 ZINC000882530322 591383388 /nfs/dbraw/zinc/38/33/88/591383388.db2.gz MLQSVNWZBIBNKQ-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C(C)(C)O ZINC000890460893 591432285 /nfs/dbraw/zinc/43/22/85/591432285.db2.gz ZZAGDWWQUOEYCK-JTQLQIEISA-N 1 0 228.336 0.770 20 30 BCEDRO COCCNC(=[NH2+])NCc1ncccc1F ZINC000130518230 591476063 /nfs/dbraw/zinc/47/60/63/591476063.db2.gz QRAQVPCQTNXZAF-UHFFFAOYSA-N 1 0 226.255 0.271 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc(C)nc1 ZINC000883123719 591543433 /nfs/dbraw/zinc/54/34/33/591543433.db2.gz IOIKZNPQNLWLFU-NSHDSACASA-N 1 0 205.261 0.259 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c(O)cccc1OC ZINC000883123716 591543602 /nfs/dbraw/zinc/54/36/02/591543602.db2.gz INMXQTVNBGTPNP-JTQLQIEISA-N 1 0 235.283 0.875 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cccc2nccn21 ZINC000883123676 591543849 /nfs/dbraw/zinc/54/38/49/591543849.db2.gz HFQZPETVBWQUTO-LLVKDONJSA-N 1 0 229.283 0.808 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(C)nn1 ZINC000883125291 591544112 /nfs/dbraw/zinc/54/41/12/591544112.db2.gz DTZVRDOSXFOPQS-LLVKDONJSA-N 1 0 205.261 0.259 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000883125403 591544537 /nfs/dbraw/zinc/54/45/37/591544537.db2.gz IGSROHXNNTWSHX-JTQLQIEISA-N 1 0 248.282 0.327 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccncc1F ZINC000883125660 591544621 /nfs/dbraw/zinc/54/46/21/591544621.db2.gz PZQIZFQWWXRFHL-SNVBAGLBSA-N 1 0 208.236 0.695 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccnc(F)c1 ZINC000883125622 591544666 /nfs/dbraw/zinc/54/46/66/591544666.db2.gz ONIRPKTUVVEOLM-SNVBAGLBSA-N 1 0 208.236 0.695 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc(Cl)n1C ZINC000883125566 591544898 /nfs/dbraw/zinc/54/48/98/591544898.db2.gz MUPLIVXHEJPMQF-MRVPVSSYSA-N 1 0 227.695 0.547 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1ccncc1N ZINC000883192162 591567527 /nfs/dbraw/zinc/56/75/27/591567527.db2.gz SBSVLBDNRSAZBE-NSHDSACASA-N 1 0 219.288 0.792 20 30 BCEDRO C#CCOCC[NH2+][C@@H](COC)[C@@H]1CCCOC1 ZINC000883216889 591575373 /nfs/dbraw/zinc/57/53/73/591575373.db2.gz XPHFIAPRLYIOKC-OLZOCXBDSA-N 1 0 241.331 0.667 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C1CCN(C)CC1 ZINC000883389687 591632229 /nfs/dbraw/zinc/63/22/29/591632229.db2.gz WMSIIMPBCRJKPV-LBPRGKRZSA-N 1 0 212.337 0.997 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)CS(C)(=O)=O ZINC000883390388 591641813 /nfs/dbraw/zinc/64/18/13/591641813.db2.gz LDTVHXMEHXJPGH-VHSXEESVSA-N 1 0 235.349 0.336 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cnn(C)c1 ZINC000883401602 591648484 /nfs/dbraw/zinc/64/84/84/591648484.db2.gz ROSJGGJIYHFJQS-LLVKDONJSA-N 1 0 209.293 0.837 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC000883401723 591649137 /nfs/dbraw/zinc/64/91/37/591649137.db2.gz WETFXKPWEIGSTF-NSHDSACASA-N 1 0 209.293 0.837 20 30 BCEDRO C#CCCNC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883487439 591680426 /nfs/dbraw/zinc/68/04/26/591680426.db2.gz NAHXBFHTJGNMTH-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C=C[C@H](C)NC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883508068 591684958 /nfs/dbraw/zinc/68/49/58/591684958.db2.gz OSGRBAOOTDFEPG-VHSXEESVSA-N 1 0 211.309 0.954 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)NCCCC#N ZINC000883564371 591693608 /nfs/dbraw/zinc/69/36/08/591693608.db2.gz OXOUEIHFSOJTMI-JTQLQIEISA-N 1 0 224.308 0.684 20 30 BCEDRO C#CCCCC[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000132310369 591699942 /nfs/dbraw/zinc/69/99/42/591699942.db2.gz JOALSWIBIZXOHF-LLVKDONJSA-N 1 0 229.345 0.957 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2ncn(C)n2)C1 ZINC000132394514 591705743 /nfs/dbraw/zinc/70/57/43/591705743.db2.gz ALQPCCRUALPHRT-SECBINFHSA-N 1 0 236.323 0.362 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883763856 591736647 /nfs/dbraw/zinc/73/66/47/591736647.db2.gz KOOLSKDUURRWJX-ZJUUUORDSA-N 1 0 227.308 0.886 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)NC2CC2)C1 ZINC000884007656 591794622 /nfs/dbraw/zinc/79/46/22/591794622.db2.gz JCDHHUBIURKOFW-LLVKDONJSA-N 1 0 221.304 0.546 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H]2CCC[NH2+]C2)[nH]1 ZINC000884011464 591797978 /nfs/dbraw/zinc/79/79/78/591797978.db2.gz FNJGVYPFLKORJY-VIFPVBQESA-N 1 0 218.260 0.368 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@H]2CCC[NH2+]2)[nH]1 ZINC000884024106 591804893 /nfs/dbraw/zinc/80/48/93/591804893.db2.gz HCLYNPQUGSVQPM-SECBINFHSA-N 1 0 218.260 0.368 20 30 BCEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1[NH3+] ZINC000884032721 591816443 /nfs/dbraw/zinc/81/64/43/591816443.db2.gz ANSOCPVXWKXPPE-SCZZXKLOSA-N 1 0 232.287 0.696 20 30 BCEDRO CC(C)C[C@@H](C[NH3+])NC(=O)c1ccc(C#N)[nH]1 ZINC000884033291 591816800 /nfs/dbraw/zinc/81/68/00/591816800.db2.gz LHHUCRCNFQTKLF-JTQLQIEISA-N 1 0 234.303 0.990 20 30 BCEDRO CC1(C)C[NH2+]CCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884038020 591820081 /nfs/dbraw/zinc/82/00/81/591820081.db2.gz UTABGFRVZKLROT-UHFFFAOYSA-N 1 0 232.287 0.710 20 30 BCEDRO C=CCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884046137 591826189 /nfs/dbraw/zinc/82/61/89/591826189.db2.gz UHARRVNMMSYPIL-SQLBVSGCSA-N 1 0 219.288 0.428 20 30 BCEDRO C=CCOC(=O)[C@@H](N)CC(=O)NC[C@@H]1C[C@@H]1C ZINC000884082850 591846337 /nfs/dbraw/zinc/84/63/37/591846337.db2.gz WWKHRSGYDZTFPH-GUBZILKMSA-N 1 0 240.303 0.205 20 30 BCEDRO CN(CC1CC1)C(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884095948 591850348 /nfs/dbraw/zinc/85/03/48/591850348.db2.gz FDZBBOGDVKSDAG-LXVYMNJGSA-N 1 0 247.342 0.994 20 30 BCEDRO C=C[C@H](C)NC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884142308 591861052 /nfs/dbraw/zinc/86/10/52/591861052.db2.gz WVJFWXMOQDWQHD-MSLYCWSTSA-N 1 0 233.315 0.816 20 30 BCEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)[C@@H](C)C[NH2+]1 ZINC000884244490 591880224 /nfs/dbraw/zinc/88/02/24/591880224.db2.gz GHRVXULUJVDHFI-BDAKNGLRSA-N 1 0 232.287 0.709 20 30 BCEDRO C=CC(C)(C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000884250297 591884136 /nfs/dbraw/zinc/88/41/36/591884136.db2.gz BLFXMCVYPZINJL-NXEZZACHSA-N 1 0 221.304 0.816 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@@H]2CCC[C@H]([NH3+])C2)[nH]1 ZINC000884267373 591887777 /nfs/dbraw/zinc/88/77/77/591887777.db2.gz DRCNLEPEMAKCSO-DTWKUNHWSA-N 1 0 232.287 0.886 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)N[C@H](C)C#C)C1 ZINC000884275169 591890451 /nfs/dbraw/zinc/89/04/51/591890451.db2.gz FICAFLBFUZFOKE-NEPJUHHUSA-N 1 0 233.315 0.405 20 30 BCEDRO N#Cc1ccc(C(=O)N2CCC[C@H]3C[NH2+]C[C@H]32)[nH]1 ZINC000884303124 591899744 /nfs/dbraw/zinc/89/97/44/591899744.db2.gz HKTSLVJRHGTDNL-JOYOIKCWSA-N 1 0 244.298 0.710 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000884353229 591910546 /nfs/dbraw/zinc/91/05/46/591910546.db2.gz WOOWOHOJENAPMD-NXEZZACHSA-N 1 0 226.320 0.821 20 30 BCEDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)c1ccc(C#N)[nH]1 ZINC000884371873 591919026 /nfs/dbraw/zinc/91/90/26/591919026.db2.gz APCYFHZQEFLPTD-HTQZYQBOSA-N 1 0 220.276 0.742 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)CCCF ZINC000884377246 591919618 /nfs/dbraw/zinc/91/96/18/591919618.db2.gz DNOJMGJDUHCZLS-UHFFFAOYSA-N 1 0 243.326 0.943 20 30 BCEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)N1CCCCN1)C2 ZINC000884379734 591921349 /nfs/dbraw/zinc/92/13/49/591921349.db2.gz HWSYOOFSYDJSGA-QWKFWESOSA-N 1 0 248.330 0.253 20 30 BCEDRO C=CCC1(NC(=O)[C@H](C[NH3+])OC)CCOCC1 ZINC000884406361 591927259 /nfs/dbraw/zinc/92/72/59/591927259.db2.gz RZCLQIIAIDISCR-JTQLQIEISA-N 1 0 242.319 0.202 20 30 BCEDRO C/C=C\CNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884439332 591934348 /nfs/dbraw/zinc/93/43/48/591934348.db2.gz BSEXYSNGYWAVDP-BCSSSWIGSA-N 1 0 233.315 0.818 20 30 BCEDRO CC(=[NH+]NCC(N)=O)c1c(C)cc(N)cc1C ZINC000884449891 591938273 /nfs/dbraw/zinc/93/82/73/591938273.db2.gz RQEPKPJOBHQEGS-UHFFFAOYSA-N 1 0 234.303 0.685 20 30 BCEDRO COCC[C@H]([NH3+])C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000884461986 591942363 /nfs/dbraw/zinc/94/23/63/591942363.db2.gz SKLGNNPFHHITAX-GARJFASQSA-N 1 0 239.319 0.501 20 30 BCEDRO Cc1ccc(C#N)c(NCC[N@H+](C)CCO)n1 ZINC000884824803 592022694 /nfs/dbraw/zinc/02/26/94/592022694.db2.gz OWELXRKLOYVALT-UHFFFAOYSA-N 1 0 234.303 0.598 20 30 BCEDRO C[N@H+](CCO)CCNc1cccnc1C#N ZINC000884825085 592023629 /nfs/dbraw/zinc/02/36/29/592023629.db2.gz DHVAYLIMASDMJA-UHFFFAOYSA-N 1 0 220.276 0.289 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCCOCCCC ZINC000135834299 592060057 /nfs/dbraw/zinc/06/00/57/592060057.db2.gz UGFZUKFEBDJPDC-UHFFFAOYSA-N 1 0 226.320 0.532 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)OCCF)C1 ZINC000885508375 592081451 /nfs/dbraw/zinc/08/14/51/592081451.db2.gz GWSPJAXPOGTQGN-SNVBAGLBSA-N 1 0 228.267 0.780 20 30 BCEDRO N#CC1(C[C@H](O)C[NH+]2CCC(O)CC2)CCC1 ZINC000885946766 592112511 /nfs/dbraw/zinc/11/25/11/592112511.db2.gz PWHGTZWNQKABJT-LBPRGKRZSA-N 1 0 238.331 0.888 20 30 BCEDRO C[C@@H](O)C[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886021082 592133985 /nfs/dbraw/zinc/13/39/85/592133985.db2.gz OSHBJNJSTVSFMM-MNOVXSKESA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@H](CO)[N@H+](C)C[C@H](O)CC1(C#N)CCC1 ZINC000886083756 592144921 /nfs/dbraw/zinc/14/49/21/592144921.db2.gz MOIWADACVWJKOU-GHMZBOCLSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@@H](CO)[N@H+](C)C[C@@H](O)CC1(C#N)CCC1 ZINC000886083758 592145691 /nfs/dbraw/zinc/14/56/91/592145691.db2.gz MOIWADACVWJKOU-QWRGUYRKSA-N 1 0 226.320 0.744 20 30 BCEDRO C[N@H+](C[C@@H](O)CC1(C#N)CCC1)C1CC(O)C1 ZINC000886133984 592160662 /nfs/dbraw/zinc/16/06/62/592160662.db2.gz GZXDZZHIPZJKIN-MCIGGMRASA-N 1 0 238.331 0.886 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886329072 592210100 /nfs/dbraw/zinc/21/01/00/592210100.db2.gz XUBWTBHQHKZLTL-GARJFASQSA-N 1 0 221.304 0.699 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCN2CCCC2=O)C1 ZINC000886356045 592214851 /nfs/dbraw/zinc/21/48/51/592214851.db2.gz SGNQVTAROFIDRC-LBPRGKRZSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCCS(=O)(=O)NC)C1 ZINC000886357876 592215221 /nfs/dbraw/zinc/21/52/21/592215221.db2.gz MYHBXCIMNVMWOL-NSHDSACASA-N 1 0 244.360 0.271 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000886357656 592215953 /nfs/dbraw/zinc/21/59/53/592215953.db2.gz JWIGLGNKHWMZGB-SNVBAGLBSA-N 1 0 237.303 0.307 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@@H]2CON(CC)C2=O)C1 ZINC000886364387 592216728 /nfs/dbraw/zinc/21/67/28/592216728.db2.gz YFVXUXFKUGLHKT-WDEREUQCSA-N 1 0 222.288 0.494 20 30 BCEDRO C#CC[C@H]1CC[N@H+](CCn2cncn2)C1 ZINC000886358428 592216692 /nfs/dbraw/zinc/21/66/92/592216692.db2.gz UTOWXIJPWRZXFZ-NSHDSACASA-N 1 0 204.277 0.623 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@H]2CCN(C)C2=O)C1 ZINC000886358661 592217150 /nfs/dbraw/zinc/21/71/50/592217150.db2.gz ZDWJOBZOWKAZAS-QWRGUYRKSA-N 1 0 206.289 0.562 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000886364041 592218441 /nfs/dbraw/zinc/21/84/41/592218441.db2.gz MXKFJHYJBFHMEK-RYUDHWBXSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000886365833 592220154 /nfs/dbraw/zinc/22/01/54/592220154.db2.gz QOQACVCQSQWYJB-NSHDSACASA-N 1 0 244.360 0.223 20 30 BCEDRO CC#CCC[N@@H+]1CCCn2nncc2C1 ZINC000886463239 592227589 /nfs/dbraw/zinc/22/75/89/592227589.db2.gz UMVMZMJDABOFRP-UHFFFAOYSA-N 1 0 204.277 0.897 20 30 BCEDRO C#CCCC[N@@H+]1CCCn2nncc2C1 ZINC000886463370 592228026 /nfs/dbraw/zinc/22/80/26/592228026.db2.gz YBALMLMXQLEZGW-UHFFFAOYSA-N 1 0 204.277 0.897 20 30 BCEDRO C#CCN(C(=O)C#CC1CC1)C1CC[NH+](C)CC1 ZINC000886574499 592267137 /nfs/dbraw/zinc/26/71/37/592267137.db2.gz IUAPGNDLHUHQFI-UHFFFAOYSA-N 1 0 244.338 0.956 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C2CCN(C=O)CC2)C1 ZINC000886662759 592294809 /nfs/dbraw/zinc/29/48/09/592294809.db2.gz LOQXYJUFKGTDPK-CQSZACIVSA-N 1 0 249.358 0.294 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886832154 592353852 /nfs/dbraw/zinc/35/38/52/592353852.db2.gz BSYGRYISZBAQBM-GHMZBOCLSA-N 1 0 237.303 0.127 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H]([C@H]2CCCO2)C1 ZINC000886835668 592355595 /nfs/dbraw/zinc/35/55/95/592355595.db2.gz PGGYEIMRIJTYHP-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886852758 592367857 /nfs/dbraw/zinc/36/78/57/592367857.db2.gz VVNZCGQFCXHOSC-JTQLQIEISA-N 1 0 228.292 0.619 20 30 BCEDRO C#CC[N@H+]1[C@@H]2CC[C@H]1C[C@](O)(c1ccnn1C)C2 ZINC000887050066 592431473 /nfs/dbraw/zinc/43/14/73/592431473.db2.gz YLICACMPFSYITH-IMRBUKKESA-N 1 0 245.326 0.868 20 30 BCEDRO C=C(C)C[NH2+]C1(C(=O)NC)CCOCC1 ZINC000887083228 592437817 /nfs/dbraw/zinc/43/78/17/592437817.db2.gz UQDSBNSHRMYVMR-UHFFFAOYSA-N 1 0 212.293 0.447 20 30 BCEDRO C=C(CC)C[NH2+]C1(C(=O)NC)CCOCC1 ZINC000887089864 592438818 /nfs/dbraw/zinc/43/88/18/592438818.db2.gz YDQPYONWXVYPCS-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO C#CCC1([NH2+]CC(=O)NCCC)CCOCC1 ZINC000887122117 592444266 /nfs/dbraw/zinc/44/42/66/592444266.db2.gz LJQWFYYAEXFTOU-UHFFFAOYSA-N 1 0 238.331 0.675 20 30 BCEDRO C#CCC1([NH2+]CC[C@@H](C)O)CCOCC1 ZINC000887120307 592444940 /nfs/dbraw/zinc/44/49/40/592444940.db2.gz BNWSAOYHEQIKHK-LLVKDONJSA-N 1 0 211.305 0.919 20 30 BCEDRO C#CCC1([NH2+]CCN(C#N)CC)CCOCC1 ZINC000887120350 592445348 /nfs/dbraw/zinc/44/53/48/592445348.db2.gz CZHUPHLJQJNHBF-UHFFFAOYSA-N 1 0 235.331 0.951 20 30 BCEDRO C#CCC1([NH2+]C[C@@H]2COCCO2)CCOCC1 ZINC000887121955 592446163 /nfs/dbraw/zinc/44/61/63/592446163.db2.gz DPIRFTQNMAQAIT-GFCCVEGCSA-N 1 0 239.315 0.564 20 30 BCEDRO C#CCC1([NH2+]C[C@@H](O)COC)CCOCC1 ZINC000887121969 592446170 /nfs/dbraw/zinc/44/61/70/592446170.db2.gz FLBFQGKJWHDMSG-LLVKDONJSA-N 1 0 227.304 0.156 20 30 BCEDRO C#CCC1([NH2+]C[C@H]2CCC(=O)O2)CCOCC1 ZINC000887122122 592446238 /nfs/dbraw/zinc/44/62/38/592446238.db2.gz LQFWCLZDTKRTTP-LLVKDONJSA-N 1 0 237.299 0.854 20 30 BCEDRO C#CCNC(=O)N1CCCC[C@]2(CC[NH2+]C2)C1 ZINC000887281440 592476466 /nfs/dbraw/zinc/47/64/66/592476466.db2.gz YJBLDIKAWQCGCS-CYBMUJFWSA-N 1 0 235.331 0.795 20 30 BCEDRO C#CCOCCNC(=[NH2+])NCC(F)F ZINC000887356905 592488439 /nfs/dbraw/zinc/48/84/39/592488439.db2.gz USHKHYOZDOSXOK-UHFFFAOYSA-N 1 0 205.208 0.015 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[N@H+](C)[C@H](C)C1 ZINC000300934784 592525154 /nfs/dbraw/zinc/52/51/54/592525154.db2.gz CFBTUXDHMNFXAA-ZJUUUORDSA-N 1 0 212.293 0.350 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](OC)C[C@H]1C ZINC000300934320 592525166 /nfs/dbraw/zinc/52/51/66/592525166.db2.gz RJOKVUREYIBADG-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887924654 592560055 /nfs/dbraw/zinc/56/00/55/592560055.db2.gz UMMMCQRCJMMZMB-KGYLQXTDSA-N 1 0 238.331 0.334 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](O)c1ccco1 ZINC000104168973 592602931 /nfs/dbraw/zinc/60/29/31/592602931.db2.gz FNMCFEWGGPKGCL-VIFPVBQESA-N 1 0 223.276 0.793 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1nnc(C)[nH]1 ZINC000889697197 592646003 /nfs/dbraw/zinc/64/60/03/592646003.db2.gz BFDUVBRNSQSPPP-UHFFFAOYSA-N 1 0 237.307 0.237 20 30 BCEDRO CON=CC(=O)N1CCC([NH2+]C2CCC2)CC1 ZINC000889826729 592655464 /nfs/dbraw/zinc/65/54/64/592655464.db2.gz XOTSHUDZMWOHSW-UHFFFAOYSA-N 1 0 239.319 0.752 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC[N@@H+]1CCC(C)(C)C1 ZINC000890076412 592678353 /nfs/dbraw/zinc/67/83/53/592678353.db2.gz WICPMOSVTNLVHF-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000829121805 592707096 /nfs/dbraw/zinc/70/70/96/592707096.db2.gz GNYUKZBBEDYLHP-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C#CCC[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000363466110 592728261 /nfs/dbraw/zinc/72/82/61/592728261.db2.gz BSUCEXNQFCDPBJ-CYBMUJFWSA-N 1 0 249.314 0.320 20 30 BCEDRO C#CCC[N@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000363466050 592728299 /nfs/dbraw/zinc/72/82/99/592728299.db2.gz BAAPZYKVEVXSQK-UHFFFAOYSA-N 1 0 217.272 0.162 20 30 BCEDRO C=CCn1cc(CN[C@H]2CCC[NH2+][C@H]2C)nn1 ZINC000925704377 634382740 /nfs/dbraw/zinc/38/27/40/634382740.db2.gz GLZSVSHALVEHFI-JQWIXIFHSA-N 1 0 235.335 0.694 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC001027320409 634476500 /nfs/dbraw/zinc/47/65/00/634476500.db2.gz ZYRNHXWHMGASQJ-NEPJUHHUSA-N 1 0 238.331 0.577 20 30 BCEDRO COc1ccc2c(c1)C(=NNC1=[NH+]CCN1)CC2 ZINC000841658494 634493494 /nfs/dbraw/zinc/49/34/94/634493494.db2.gz DEBQTRSUEGTUOJ-UHFFFAOYSA-N 1 0 244.298 0.894 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)Cn2ccnc2)C1 ZINC001009710690 634527915 /nfs/dbraw/zinc/52/79/15/634527915.db2.gz SIMNAKYGTSLSPC-GFCCVEGCSA-N 1 0 248.330 0.650 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)Cn2ccnc2)C1 ZINC001009710709 634528135 /nfs/dbraw/zinc/52/81/35/634528135.db2.gz SIMNAKYGTSLSPC-LBPRGKRZSA-N 1 0 248.330 0.650 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001027620574 634595659 /nfs/dbraw/zinc/59/56/59/634595659.db2.gz IOBAEPJDKGEWQU-JTQLQIEISA-N 1 0 249.318 0.527 20 30 BCEDRO C=CC[N@@H+]1CCCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000982036763 635481281 /nfs/dbraw/zinc/48/12/81/635481281.db2.gz VFPWPJWFMQDHJM-UHFFFAOYSA-N 1 0 248.330 0.673 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C)sn2)C1 ZINC001022013146 631224599 /nfs/dbraw/zinc/22/45/99/631224599.db2.gz CQQUDEDERNNGKP-AOOOYVTPSA-N 1 0 249.339 0.935 20 30 BCEDRO C=C[C@H](C)NC(=S)NCC[NH+](C)C ZINC000308276574 631238861 /nfs/dbraw/zinc/23/88/61/631238861.db2.gz VIMCSRGBAMRIOM-QMMMGPOBSA-N 1 0 201.339 0.587 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC000971482442 631264267 /nfs/dbraw/zinc/26/42/67/631264267.db2.gz RVVGNMCWHZWYME-NWDGAFQWSA-N 1 0 240.347 0.722 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC000971488522 631267305 /nfs/dbraw/zinc/26/73/05/631267305.db2.gz CCOXMRAHNAAERU-JTQLQIEISA-N 1 0 249.318 0.147 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)CC ZINC000308402141 631325921 /nfs/dbraw/zinc/32/59/21/631325921.db2.gz HNKKXEMCVGLGFM-SECBINFHSA-N 1 0 205.323 0.975 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CC ZINC000308402142 631326326 /nfs/dbraw/zinc/32/63/26/631326326.db2.gz HNKKXEMCVGLGFM-VIFPVBQESA-N 1 0 205.323 0.975 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)CC(C)(C)O ZINC000308553653 631337586 /nfs/dbraw/zinc/33/75/86/631337586.db2.gz RELJPLKXOHNEIJ-SECBINFHSA-N 1 0 200.282 0.618 20 30 BCEDRO CC(C)[N@H+](CCO)CCO[C@H](C)C#N ZINC000308573159 631339632 /nfs/dbraw/zinc/33/96/32/631339632.db2.gz GAIKLZSREPTLDI-SNVBAGLBSA-N 1 0 200.282 0.618 20 30 BCEDRO N#CCCNC(=O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933392416 631356139 /nfs/dbraw/zinc/35/61/39/631356139.db2.gz OVJWZQQIVCWLQY-GXFFZTMASA-N 1 0 249.314 0.317 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933391987 631358363 /nfs/dbraw/zinc/35/83/63/631358363.db2.gz LDNQLYLWGFTQNK-GXFFZTMASA-N 1 0 236.315 0.590 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2(C)CC2)C1 ZINC001022117211 631361338 /nfs/dbraw/zinc/36/13/38/631361338.db2.gz SBJPLNBQPVDXSB-AOOOYVTPSA-N 1 0 206.289 0.657 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC001022250569 631434463 /nfs/dbraw/zinc/43/44/63/631434463.db2.gz PQQBTRPRZUNLIO-WSVSKBAQSA-N 1 0 236.315 0.281 20 30 BCEDRO C=CC[NH+]1CCC(CN2CCNC2=O)CC1 ZINC000933588014 631436327 /nfs/dbraw/zinc/43/63/27/631436327.db2.gz FCZZSATWLJCJPT-UHFFFAOYSA-N 1 0 223.320 0.910 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCC2(F)F)C1 ZINC001022257776 631439401 /nfs/dbraw/zinc/43/94/01/631439401.db2.gz VCPPWJANOMHKPB-AEJSXWLSSA-N 1 0 242.269 0.902 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CO[C@H](C)C2)C1 ZINC001022320419 631480632 /nfs/dbraw/zinc/48/06/32/631480632.db2.gz XXSKBJYKSIPBFZ-KKOKHZNYSA-N 1 0 238.331 0.834 20 30 BCEDRO C[C@H](O)[C@H](O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933770039 631506692 /nfs/dbraw/zinc/50/66/92/631506692.db2.gz FZFSIBUEIIGXSG-GZMMTYOYSA-N 1 0 240.328 0.793 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cncn2C)C1 ZINC001022375374 631510608 /nfs/dbraw/zinc/51/06/08/631510608.db2.gz GEIOUDWFLLVYDH-AOOOYVTPSA-N 1 0 234.303 0.457 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891938564 631566415 /nfs/dbraw/zinc/56/64/15/631566415.db2.gz SZTIATUNSXBJQI-ZDCRXTMVSA-N 1 0 239.319 0.461 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cncn2C)C1 ZINC000971874189 631571274 /nfs/dbraw/zinc/57/12/74/631571274.db2.gz BVNLXEWGKWSGRE-LLVKDONJSA-N 1 0 246.314 0.200 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H]2CO)CC1 ZINC000934014173 631594555 /nfs/dbraw/zinc/59/45/55/631594555.db2.gz ZKGPUCLLPNWRSE-VHSXEESVSA-N 1 0 210.277 0.108 20 30 BCEDRO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H]2CO)cc1 ZINC000934024757 631597482 /nfs/dbraw/zinc/59/74/82/631597482.db2.gz GKBCVDGKLDAYMB-QWHCGFSZSA-N 1 0 232.283 0.658 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@@H]1CO ZINC000934025487 631602039 /nfs/dbraw/zinc/60/20/39/631602039.db2.gz IKKKWBZSOJSJLR-SECBINFHSA-N 1 0 200.307 0.700 20 30 BCEDRO CCNC(NC[C@H](C)C[C@@H](C)O)=[NH+]CC ZINC000077965228 635651795 /nfs/dbraw/zinc/65/17/95/635651795.db2.gz LNOVLJHUTDJZES-NXEZZACHSA-N 1 0 215.341 0.968 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cc(C)on2)C1 ZINC001028391656 635666498 /nfs/dbraw/zinc/66/64/98/635666498.db2.gz QMGHKJBODWOQND-LLVKDONJSA-N 1 0 247.298 0.668 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccn[nH]2)C1 ZINC001028421186 635668845 /nfs/dbraw/zinc/66/88/45/635668845.db2.gz RDXUMJLCQHYDPK-JTQLQIEISA-N 1 0 234.303 0.647 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccon2)C1 ZINC001028425830 635670160 /nfs/dbraw/zinc/67/01/60/635670160.db2.gz SQIPJLPDLFCZRN-JTQLQIEISA-N 1 0 233.271 0.360 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](C)[C@@H]1CO ZINC000308791547 631648947 /nfs/dbraw/zinc/64/89/47/631648947.db2.gz INIBAWMWIYNCMO-AXFHLTTASA-N 1 0 212.293 0.618 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2cnc(C)[nH]2)C1 ZINC001028441517 635676021 /nfs/dbraw/zinc/67/60/21/635676021.db2.gz KYYVIUQFINEWJZ-NSHDSACASA-N 1 0 248.330 0.956 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2coc(OC)n2)C1 ZINC001022502654 631644949 /nfs/dbraw/zinc/64/49/49/631644949.db2.gz YQCTVKTVYCORBI-DTORHVGOSA-N 1 0 249.270 0.167 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCOC[C@@H](C)C1 ZINC000308785995 631646080 /nfs/dbraw/zinc/64/60/80/631646080.db2.gz GAIOHFNWQCRQQO-WDEREUQCSA-N 1 0 212.293 0.883 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCOC[C@@H](C)C1 ZINC000308785993 631646849 /nfs/dbraw/zinc/64/68/49/631646849.db2.gz GAIOHFNWQCRQQO-QWRGUYRKSA-N 1 0 212.293 0.883 20 30 BCEDRO C#C[C@H]([NH2+]C1CCOCC1)[C@@H]1CCCO1 ZINC000308824168 631670643 /nfs/dbraw/zinc/67/06/43/631670643.db2.gz HMJASXBXRPSDFX-RYUDHWBXSA-N 1 0 209.289 0.936 20 30 BCEDRO CC[NH+]1CCN(CCO[C@@H](C)C#N)CC1 ZINC000308824246 631671513 /nfs/dbraw/zinc/67/15/13/631671513.db2.gz QUCGILZUIHOMLE-NSHDSACASA-N 1 0 211.309 0.553 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@@H]1CO ZINC000308827573 631672492 /nfs/dbraw/zinc/67/24/92/631672492.db2.gz RWOKDPXWCLKKBQ-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(C)(C)O)[C@@H]1CCCO1 ZINC000308832649 631679731 /nfs/dbraw/zinc/67/97/31/631679731.db2.gz GTYMJDAAXOJMGJ-MNOVXSKESA-N 1 0 211.305 0.918 20 30 BCEDRO CS/C=C\C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000308851895 631693405 /nfs/dbraw/zinc/69/34/05/631693405.db2.gz CIHQQVBHASLNHH-OUZXLXBKSA-N 1 0 211.290 0.091 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cnoc2)C1 ZINC001022587554 631713404 /nfs/dbraw/zinc/71/34/04/631713404.db2.gz CEFKGMAKFWFINL-PHIMTYICSA-N 1 0 233.271 0.087 20 30 BCEDRO C#CCN1CC[C@@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934254295 631749926 /nfs/dbraw/zinc/74/99/26/631749926.db2.gz JBWDSBGWYAPYCQ-NWDGAFQWSA-N 1 0 208.305 0.151 20 30 BCEDRO N#CCN1CC[C@H]2[C@H]1CCC[N@H+]2CCO ZINC000934256208 631750271 /nfs/dbraw/zinc/75/02/71/631750271.db2.gz PYJXAVGKYDYHHQ-MNOVXSKESA-N 1 0 209.293 0.041 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)C1 ZINC000892196520 631775791 /nfs/dbraw/zinc/77/57/91/631775791.db2.gz MEXPCCVWBAYQDP-VLEAKVRGSA-N 1 0 234.303 0.434 20 30 BCEDRO C[C@H](CC#N)NC[C@H](O)C[NH+]1CCCC1 ZINC000309001517 631801311 /nfs/dbraw/zinc/80/13/11/631801311.db2.gz OFMMIMHJAVUCOH-MNOVXSKESA-N 1 0 211.309 0.335 20 30 BCEDRO C#CCCN1CCC[C@H](CS(C)(=O)=O)C1 ZINC000309003086 631802332 /nfs/dbraw/zinc/80/23/32/631802332.db2.gz SLOWOSNXWGJWLO-NSHDSACASA-N 1 0 229.345 0.766 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H]1CCOC12CCOCC2 ZINC000934401174 631825102 /nfs/dbraw/zinc/82/51/02/631825102.db2.gz BTVKNNZSWHYPBJ-RYUDHWBXSA-N 1 0 241.331 0.851 20 30 BCEDRO CCS(=O)(=O)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309041503 631825305 /nfs/dbraw/zinc/82/53/05/631825305.db2.gz LLQPAANOTOOZPS-UWVGGRQHSA-N 1 0 230.333 0.703 20 30 BCEDRO Cn1cc(C=NNC(N)=[NH2+])c(C(C)(C)C)n1 ZINC000309061684 631830194 /nfs/dbraw/zinc/83/01/94/631830194.db2.gz OKSBNEPFEYSESA-UHFFFAOYSA-N 1 0 222.296 0.535 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001022727697 631834200 /nfs/dbraw/zinc/83/42/00/631834200.db2.gz CURMHTYMAUPRDP-WYUUTHIRSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CC1(O)CN(CC[NH+]2C[C@H](C)C[C@@H](C)C2)C1 ZINC000934450936 631841842 /nfs/dbraw/zinc/84/18/42/631841842.db2.gz WMGKQIXETFJLOT-CHWSQXEVSA-N 1 0 236.359 0.644 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000934460430 631846332 /nfs/dbraw/zinc/84/63/32/631846332.db2.gz IPYHLCNUBJWYDB-MWLCHTKSSA-N 1 0 213.277 0.561 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000934459361 631850905 /nfs/dbraw/zinc/85/09/05/631850905.db2.gz JBCDYEFFGZFKIZ-SNVBAGLBSA-N 1 0 237.303 0.531 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@@H](O)CC(=O)OCC ZINC000934461419 631856412 /nfs/dbraw/zinc/85/64/12/631856412.db2.gz XSQLUSPEBRSUGH-QWRGUYRKSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000934461849 631858259 /nfs/dbraw/zinc/85/82/59/631858259.db2.gz NZYBSWDZEDTDCX-RYUDHWBXSA-N 1 0 241.331 0.539 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1[C@@H](C)C(=O)NC(=O)NC ZINC000934473489 631867167 /nfs/dbraw/zinc/86/71/67/631867167.db2.gz WMDKOBNABNUFPZ-IUCAKERBSA-N 1 0 225.292 0.481 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1CCN1C(=O)N[C@@H](C)C1=O ZINC000934514720 631895020 /nfs/dbraw/zinc/89/50/20/631895020.db2.gz ANGCCQABCJJYKS-WDEREUQCSA-N 1 0 249.314 0.414 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC23CC3)C1 ZINC001022767243 631900077 /nfs/dbraw/zinc/90/00/77/631900077.db2.gz SHNFFZSORJTRCW-OUAUKWLOSA-N 1 0 218.300 0.657 20 30 BCEDRO C#C[C@@H]([NH2+]CCCNC(C)=O)[C@H]1CCCO1 ZINC000309318477 631990381 /nfs/dbraw/zinc/99/03/81/631990381.db2.gz DPOQJARXZRGGQI-VXGBXAGGSA-N 1 0 224.304 0.283 20 30 BCEDRO C[N@H+](CCF)CCCc1[nH]nc(N)c1C#N ZINC000309319126 631992000 /nfs/dbraw/zinc/99/20/00/631992000.db2.gz ZXRCAJXOYSQQKV-UHFFFAOYSA-N 1 0 225.271 0.697 20 30 BCEDRO C=CC[N@H+]1CCC[C@H](NC(=O)c2ccnn2C)C1 ZINC001006876165 632018002 /nfs/dbraw/zinc/01/80/02/632018002.db2.gz SOSHTULBHRLFEM-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000972429801 632029357 /nfs/dbraw/zinc/02/93/57/632029357.db2.gz QKELSJRSDDCKLO-GFCCVEGCSA-N 1 0 248.330 0.671 20 30 BCEDRO COCCNC(=[NH2+])NCC(C)(C)CC#N ZINC000849040195 632032967 /nfs/dbraw/zinc/03/29/67/632032967.db2.gz DCFXUASLZOPODP-UHFFFAOYSA-N 1 0 212.297 0.687 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001022889331 632033028 /nfs/dbraw/zinc/03/30/28/632033028.db2.gz CHGVABIIMAIJDX-AOOOYVTPSA-N 1 0 234.303 0.375 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cnc(C)nc1C ZINC000308876771 632059543 /nfs/dbraw/zinc/05/95/43/632059543.db2.gz BSONSEUURRKHNN-UHFFFAOYSA-N 1 0 206.253 0.301 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]Cc1cc[nH]c1 ZINC000308878969 632066270 /nfs/dbraw/zinc/06/62/70/632066270.db2.gz TUGXBJXBDLKVCQ-UHFFFAOYSA-N 1 0 228.317 0.705 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nocc2C)C1 ZINC001022940973 632069883 /nfs/dbraw/zinc/06/98/83/632069883.db2.gz BJQRQIHASYWAJI-AOOOYVTPSA-N 1 0 233.271 0.467 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)NCCCC#N)[C@@H]2C1 ZINC000894131782 635700009 /nfs/dbraw/zinc/70/00/09/635700009.db2.gz XRCLGOSIZHBICJ-WDEREUQCSA-N 1 0 236.319 0.636 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C(C)(C)C)C1 ZINC001023006586 632103064 /nfs/dbraw/zinc/10/30/64/632103064.db2.gz QICRHWNJIKJOFY-AOOOYVTPSA-N 1 0 208.305 0.903 20 30 BCEDRO CC(C)N(CC[NH+](C)C)C(=O)NCCC#N ZINC000426430534 635715991 /nfs/dbraw/zinc/71/59/91/635715991.db2.gz AKMIWDLMKWTXRH-UHFFFAOYSA-N 1 0 226.324 0.882 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001023049155 632116804 /nfs/dbraw/zinc/11/68/04/632116804.db2.gz HMZXPFPJCXPVPA-PHIMTYICSA-N 1 0 245.282 0.271 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2c[nH]cc2C)C1 ZINC001023083547 632125849 /nfs/dbraw/zinc/12/58/49/632125849.db2.gz NPATZOBTMDASLS-PHIMTYICSA-N 1 0 231.299 0.807 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2cn[nH]n2)C1 ZINC001028649757 635769915 /nfs/dbraw/zinc/76/99/15/635769915.db2.gz IZROHZGFVLSDDR-VIFPVBQESA-N 1 0 235.291 0.042 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC/C=C(/C)C(=O)OC ZINC000927975719 635778789 /nfs/dbraw/zinc/77/87/89/635778789.db2.gz BIRWOUATRVQKBM-TWGQIWQCSA-N 1 0 240.303 0.340 20 30 BCEDRO C[C@H](C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N)C1CC1 ZINC000309500410 632417167 /nfs/dbraw/zinc/41/71/67/632417167.db2.gz LKSDYDPGVIVLKV-UJNFCWOMSA-N 1 0 207.277 0.260 20 30 BCEDRO Cc1nsc(NC[C@H](O)C[NH+](C)C)c1C#N ZINC000309494796 632420919 /nfs/dbraw/zinc/42/09/19/632420919.db2.gz YBVPNYDHLRVSLH-QMMMGPOBSA-N 1 0 240.332 0.658 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)c2ccon2)C1 ZINC001023246539 632424759 /nfs/dbraw/zinc/42/47/59/632424759.db2.gz KAIOBQLRSZMYSH-LLVKDONJSA-N 1 0 247.298 0.750 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)c2ccn[nH]2)C1 ZINC001023241650 632424937 /nfs/dbraw/zinc/42/49/37/632424937.db2.gz DBUVIHVMRBRIRX-LLVKDONJSA-N 1 0 246.314 0.485 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2ccon2)C1 ZINC001023246540 632425426 /nfs/dbraw/zinc/42/54/26/632425426.db2.gz KAIOBQLRSZMYSH-NSHDSACASA-N 1 0 247.298 0.750 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001023249162 632425858 /nfs/dbraw/zinc/42/58/58/632425858.db2.gz UTFGJBTYODNLPF-LLVKDONJSA-N 1 0 246.314 0.485 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C1CCC(O)CC1 ZINC000309520234 632445534 /nfs/dbraw/zinc/44/55/34/632445534.db2.gz TXDNNBWXOBYPEQ-UHFFFAOYSA-N 1 0 247.360 0.480 20 30 BCEDRO C=C(Br)CNC(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000168303746 632460144 /nfs/dbraw/zinc/46/01/44/632460144.db2.gz LHXQCASEHJPHFQ-NKWVEPMBSA-N 1 0 235.125 0.995 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](CO)[C@H]1C ZINC000840561974 632463043 /nfs/dbraw/zinc/46/30/43/632463043.db2.gz ZGKSQOXYNNQQDX-VXGBXAGGSA-N 1 0 240.347 0.724 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC000972589055 632490711 /nfs/dbraw/zinc/49/07/11/632490711.db2.gz KDSCOHQNOOIRER-LLVKDONJSA-N 1 0 244.298 0.256 20 30 BCEDRO C[NH+]=C(NC[C@H]1CCC[C@@H]1O)NC1CC1 ZINC000262694416 632592127 /nfs/dbraw/zinc/59/21/27/632592127.db2.gz WZUPKDHGVWLWLA-SCZZXKLOSA-N 1 0 211.309 0.475 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(C)=O)C[C@H]1CC ZINC000308968116 632598607 /nfs/dbraw/zinc/59/86/07/632598607.db2.gz XHGQQHSPNJKFED-NEPJUHHUSA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@@H]([NH2+]CC(OC)OC)[C@@H]1CCCO1 ZINC000308969482 632599979 /nfs/dbraw/zinc/59/99/79/632599979.db2.gz YESNRVIBKCKLEF-ZJUUUORDSA-N 1 0 213.277 0.376 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccsc1 ZINC000309653318 632618695 /nfs/dbraw/zinc/61/86/95/632618695.db2.gz UNYDRDALVUIFMK-BDAKNGLRSA-N 1 0 221.285 0.589 20 30 BCEDRO C#CCN(CC#C)C(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000279323342 632630714 /nfs/dbraw/zinc/63/07/14/632630714.db2.gz BYWHXEVIKOBFMV-STQMWFEESA-N 1 0 232.327 0.812 20 30 BCEDRO CC(C)[C@@](C)(CO)[NH2+]CCO[C@@H](C)C#N ZINC000309073498 632633644 /nfs/dbraw/zinc/63/36/44/632633644.db2.gz HPSJIUAOQPBPLF-WDEREUQCSA-N 1 0 214.309 0.912 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281559695 632635150 /nfs/dbraw/zinc/63/51/50/632635150.db2.gz YEMUORGTCKPCNX-ZJUUUORDSA-N 1 0 210.277 0.993 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCC[C@@H]1SCC ZINC000309670690 632638204 /nfs/dbraw/zinc/63/82/04/632638204.db2.gz VVWVHGRFNPUITG-MNOVXSKESA-N 1 0 240.372 1.000 20 30 BCEDRO CC(C)[C@](C)(CO)[NH2+]CC(=O)NCCC#N ZINC000309670845 632638649 /nfs/dbraw/zinc/63/86/49/632638649.db2.gz JUQIDSQPHCQNPZ-NSHDSACASA-N 1 0 227.308 0.013 20 30 BCEDRO CC(C)CNC(=[NH2+])NCc1cncn1C ZINC000290683290 632650697 /nfs/dbraw/zinc/65/06/97/632650697.db2.gz QEVSPSIVMTZVRQ-UHFFFAOYSA-N 1 0 209.297 0.480 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000309748467 632664945 /nfs/dbraw/zinc/66/49/45/632664945.db2.gz YPXNSMVDAMCNON-HBNTYKKESA-N 1 0 226.320 0.738 20 30 BCEDRO C#CCOCCNC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000935357726 632686449 /nfs/dbraw/zinc/68/64/49/632686449.db2.gz QQBAXKXQCHIWGC-LBPRGKRZSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(C)(OC)CC1 ZINC000309266279 632865193 /nfs/dbraw/zinc/86/51/93/632865193.db2.gz QETRZFJNZDAZAS-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC001028856495 635837244 /nfs/dbraw/zinc/83/72/44/635837244.db2.gz IIYTZPSRTVVTSZ-LLVKDONJSA-N 1 0 246.314 0.403 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2nc(C)c[nH]2)C1 ZINC001028856984 635837453 /nfs/dbraw/zinc/83/74/53/635837453.db2.gz SCQSKVBERKHAEH-LLVKDONJSA-N 1 0 248.330 0.956 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccncn2)C1 ZINC001028874366 635843154 /nfs/dbraw/zinc/84/31/54/635843154.db2.gz AKYZBEZORDQFAJ-NSHDSACASA-N 1 0 246.314 0.714 20 30 BCEDRO C#CCCCC[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000229685467 632985966 /nfs/dbraw/zinc/98/59/66/632985966.db2.gz FLXOLOCIUOKPAJ-CYBMUJFWSA-N 1 0 240.347 0.073 20 30 BCEDRO C#CCCCC[NH2+]C[C@H](O)Cn1cccn1 ZINC000229682090 632987219 /nfs/dbraw/zinc/98/72/19/632987219.db2.gz AJFZXAWXMMITMD-LBPRGKRZSA-N 1 0 221.304 0.637 20 30 BCEDRO CCCCNC(=[NH2+])NCC1(OC)CCOCC1 ZINC000160618505 632991135 /nfs/dbraw/zinc/99/11/35/632991135.db2.gz HBZDFGOTANYLQH-UHFFFAOYSA-N 1 0 243.351 0.886 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCC#N ZINC000335250321 635869981 /nfs/dbraw/zinc/86/99/81/635869981.db2.gz VXKJYEPKXJEOGY-GHMZBOCLSA-N 1 0 238.335 0.882 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001029023740 635873945 /nfs/dbraw/zinc/87/39/45/635873945.db2.gz VDYALYXHCXBYPR-NSHDSACASA-N 1 0 246.314 0.403 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]([C@@H](C)NC(C)=O)C1 ZINC001025302049 633096022 /nfs/dbraw/zinc/09/60/22/633096022.db2.gz RFZCMUSQYOPYAX-PWSUYJOCSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)[C@H]1CCCO1 ZINC000309465418 633103539 /nfs/dbraw/zinc/10/35/39/633103539.db2.gz PTSDKWZWQNNGPD-GHMZBOCLSA-N 1 0 247.360 0.744 20 30 BCEDRO C=CC[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000181949856 633168453 /nfs/dbraw/zinc/16/84/53/633168453.db2.gz RZUFVKIWDGLBEX-SNVBAGLBSA-N 1 0 212.293 0.433 20 30 BCEDRO CC[C@H](C#N)OC(=O)COC1CC[NH+](C)CC1 ZINC000923789494 633169691 /nfs/dbraw/zinc/16/96/91/633169691.db2.gz UGBALBQMDGGCSD-SNVBAGLBSA-N 1 0 240.303 0.943 20 30 BCEDRO CCCCCCNC(=[NH2+])NCC(=O)NC(C)C ZINC000170908377 633175865 /nfs/dbraw/zinc/17/58/65/633175865.db2.gz QHQBUVJXIMRBJL-UHFFFAOYSA-N 1 0 242.367 0.996 20 30 BCEDRO CNC(=O)CNC(=[NH2+])Nc1cc(C)cc(C)c1 ZINC000170907023 633176017 /nfs/dbraw/zinc/17/60/17/633176017.db2.gz FWEXTYWOUMJVAN-UHFFFAOYSA-N 1 0 234.303 0.776 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCCC(=O)N(C)C ZINC000170910214 633177138 /nfs/dbraw/zinc/17/71/38/633177138.db2.gz UVGIAWQFEZCLNF-UHFFFAOYSA-N 1 0 228.340 0.511 20 30 BCEDRO COc1ccc(OCCNC(=[NH2+])N(C)C)cc1 ZINC000170908793 633177655 /nfs/dbraw/zinc/17/76/55/633177655.db2.gz ULUVCGVINRFUFR-UHFFFAOYSA-N 1 0 237.303 0.950 20 30 BCEDRO COCCCCNC(=[NH2+])N1CCSCC1 ZINC000170913833 633179280 /nfs/dbraw/zinc/17/92/80/633179280.db2.gz BHWVBNUTMHQTIG-UHFFFAOYSA-N 1 0 231.365 0.777 20 30 BCEDRO CC[C@@H](C(=O)N1CC[C@H](NCC#N)C1)[NH+](C)C ZINC001019397027 633197656 /nfs/dbraw/zinc/19/76/56/633197656.db2.gz FNRSDNIICLHJAQ-QWRGUYRKSA-N 1 0 238.335 0.041 20 30 BCEDRO C#C[C@@H]([NH2+]CCC1OCCO1)[C@@H]1CCCO1 ZINC000309585827 633207664 /nfs/dbraw/zinc/20/76/64/633207664.db2.gz VMKHSHMAHAKYPX-MNOVXSKESA-N 1 0 225.288 0.520 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](COC)C1CC1 ZINC000327999774 633212950 /nfs/dbraw/zinc/21/29/50/633212950.db2.gz NOLZTRNSXBQRME-ZDUSSCGKSA-N 1 0 224.348 0.956 20 30 BCEDRO CCC[N@H+](CCO[C@H](C)C#N)CC(=O)NC ZINC000304256916 635938413 /nfs/dbraw/zinc/93/84/13/635938413.db2.gz SIGIJTXYUINPDB-SNVBAGLBSA-N 1 0 227.308 0.373 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCC(C)(C)OC ZINC000304761515 635946915 /nfs/dbraw/zinc/94/69/15/635946915.db2.gz ULNUAGUGUSDRTN-MRVPVSSYSA-N 1 0 217.313 0.351 20 30 BCEDRO C#CC[C@H](NCC1CC[NH+](C)CC1)C(=O)OC ZINC000894854349 635953204 /nfs/dbraw/zinc/95/32/04/635953204.db2.gz HUNHLUIEMLHNJT-LBPRGKRZSA-N 1 0 238.331 0.483 20 30 BCEDRO C=CCN1CC(=O)N(C[C@@H]2CC[N@H+]2CC)C1=O ZINC000925095114 636001287 /nfs/dbraw/zinc/00/12/87/636001287.db2.gz GVLMYQFKDXVNPS-JTQLQIEISA-N 1 0 237.303 0.531 20 30 BCEDRO CCNC(NCCCCC(=O)OC)=[NH+]CC ZINC000076105362 636034764 /nfs/dbraw/zinc/03/47/64/636034764.db2.gz LCSVKNIVAPLGNB-UHFFFAOYSA-N 1 0 229.324 0.905 20 30 BCEDRO C=CCNC(=O)CN1CCCC[C@@H]1C[NH2+]C ZINC000063169108 636052886 /nfs/dbraw/zinc/05/28/86/636052886.db2.gz IKPNZLYDKJFFNC-LLVKDONJSA-N 1 0 225.336 0.363 20 30 BCEDRO CS[C@@H]1CC[C@@H]1[NH2+][C@@H]1CCCN(O)C1=O ZINC000895157428 636100277 /nfs/dbraw/zinc/10/02/77/636100277.db2.gz CHWQTTVIIOAKQC-DJLDLDEBSA-N 1 0 230.333 0.850 20 30 BCEDRO CC(=O)OC[C@H](C)[NH2+]C1CCN(CC#N)CC1 ZINC000892909420 633726069 /nfs/dbraw/zinc/72/60/69/633726069.db2.gz KLTXBQXAWFBKLE-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000926864858 633731722 /nfs/dbraw/zinc/73/17/22/633731722.db2.gz PJRFQPAHSBCYOL-GRYCIOLGSA-N 1 0 240.347 0.960 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000328178344 633735718 /nfs/dbraw/zinc/73/57/18/633735718.db2.gz MMKQIHCJOLZUSU-GFCCVEGCSA-N 1 0 237.347 0.200 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C ZINC001025660025 633737969 /nfs/dbraw/zinc/73/79/69/633737969.db2.gz SGTKMTHEMGJCRE-RNWYCLNJSA-N 1 0 220.316 0.875 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H]1C ZINC001025660023 633739269 /nfs/dbraw/zinc/73/92/69/633739269.db2.gz SCLLJELXEVEJMW-RNWYCLNJSA-N 1 0 218.300 0.322 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001019773527 633792093 /nfs/dbraw/zinc/79/20/93/633792093.db2.gz BMCBOPBJJSWZNN-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]c(=O)c2)C1 ZINC001020265287 633814437 /nfs/dbraw/zinc/81/44/37/633814437.db2.gz 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/nfs/dbraw/zinc/95/97/57/633959757.db2.gz SYYGIXUJARRLLR-NWDGAFQWSA-N 1 0 219.288 0.654 20 30 BCEDRO CC#CC[NH2+][C@]1(CC(=O)OC)CCCOC1 ZINC000309589040 633961125 /nfs/dbraw/zinc/96/11/25/633961125.db2.gz UBDOIZCGPKTSNU-LBPRGKRZSA-N 1 0 225.288 0.712 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)C(N)=O)C[C@@H]1C ZINC000947671726 633983663 /nfs/dbraw/zinc/98/36/63/633983663.db2.gz NPBRROMOIFGFLG-VHSXEESVSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](OC)C1CCOCC1 ZINC000895489552 636151287 /nfs/dbraw/zinc/15/12/87/636151287.db2.gz FWCWEBJXMLXXDL-STQMWFEESA-N 1 0 241.331 0.402 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000895490061 636151594 /nfs/dbraw/zinc/15/15/94/636151594.db2.gz KUJCXZSCGPILEU-TUAOUCFPSA-N 1 0 227.304 0.012 20 30 BCEDRO N#CC1CCC(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)CC1 ZINC000930699954 634046428 /nfs/dbraw/zinc/04/64/28/634046428.db2.gz LZVUZKAOVJKCPC-IFWUJCSASA-N 1 0 238.331 0.601 20 30 BCEDRO CC[C@@H](CO)[NH2+][C@H](C)C(=O)N(C)CCC#N 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C[C@H](C#N)C(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001026732320 634309075 /nfs/dbraw/zinc/30/90/75/634309075.db2.gz ICSBUQTZHDHTHB-PWSUYJOCSA-N 1 0 235.331 0.994 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[C@H](C[NH2+]CC2CC2)C1 ZINC001026732318 634309100 /nfs/dbraw/zinc/30/91/00/634309100.db2.gz ICSBUQTZHDHTHB-CMPLNLGQSA-N 1 0 235.331 0.994 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCC(=O)NC(C)C ZINC000194685142 634329680 /nfs/dbraw/zinc/32/96/80/634329680.db2.gz KQFUNLSKKPVKJJ-QMMMGPOBSA-N 1 0 214.313 0.214 20 30 BCEDRO C[C@@H](CNC(=[NH2+])N(C)C)NC(=O)OC(C)(C)C ZINC000195292192 634357861 /nfs/dbraw/zinc/35/78/61/634357861.db2.gz YBSVHGBYZGVAJI-QMMMGPOBSA-N 1 0 244.339 0.776 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001027735958 635130818 /nfs/dbraw/zinc/13/08/18/635130818.db2.gz BOGWTULXTSWSRM-VXGBXAGGSA-N 1 0 236.315 0.379 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CC12CC(O)C2 ZINC000888955168 635136749 /nfs/dbraw/zinc/13/67/49/635136749.db2.gz LFNXXMRARMLZEX-SQLBVSGCSA-N 1 0 224.304 0.134 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001027770620 635141192 /nfs/dbraw/zinc/14/11/92/635141192.db2.gz XSOVPPLCSMOFID-NSHDSACASA-N 1 0 232.287 0.237 20 30 BCEDRO CC(C)(C)[NH2+]CCC(=O)N1CCO[C@@H](C#N)C1 ZINC000093933802 635141374 /nfs/dbraw/zinc/14/13/74/635141374.db2.gz HLWQZPFKHWSYKJ-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001027781450 635148225 /nfs/dbraw/zinc/14/82/25/635148225.db2.gz IXEUFEADLFUPFJ-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010064710 635180233 /nfs/dbraw/zinc/18/02/33/635180233.db2.gz ZSZMYCBDNXXFCW-QWRGUYRKSA-N 1 0 224.304 0.542 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC000980392677 635217845 /nfs/dbraw/zinc/21/78/45/635217845.db2.gz YYIVRQIOYXBFOU-LLVKDONJSA-N 1 0 248.330 0.752 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC000980559370 635235962 /nfs/dbraw/zinc/23/59/62/635235962.db2.gz WFKZPUJJTHOHLD-LLVKDONJSA-N 1 0 246.314 0.498 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2nonc2C)C1 ZINC000980546126 635237131 /nfs/dbraw/zinc/23/71/31/635237131.db2.gz REXSZIACJJUXJR-SNVBAGLBSA-N 1 0 248.286 0.158 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)C(C)C)C1 ZINC001010263584 635301223 /nfs/dbraw/zinc/30/12/23/635301223.db2.gz DNJBDQLSVAITGE-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cocn2)C1 ZINC000980948731 635305690 /nfs/dbraw/zinc/30/56/90/635305690.db2.gz HJBPOBRZOZSFBO-GHMZBOCLSA-N 1 0 247.298 0.938 20 30 BCEDRO C=CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC000981187845 635325557 /nfs/dbraw/zinc/32/55/57/635325557.db2.gz RHBBHPUPWAVPPZ-UWVGGRQHSA-N 1 0 249.318 0.621 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1cnco1 ZINC001028057296 635340770 /nfs/dbraw/zinc/34/07/70/635340770.db2.gz GKXPIRCTNJZPDF-NSHDSACASA-N 1 0 247.298 0.892 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cnco2)C1 ZINC000981250016 635347489 /nfs/dbraw/zinc/34/74/89/635347489.db2.gz VPXNDORLWJMCJW-GHMZBOCLSA-N 1 0 247.298 0.938 20 30 BCEDRO C#CCC[N@H+]1CCCC2(CN(C(C)=O)C2)C1 ZINC000981567669 635371501 /nfs/dbraw/zinc/37/15/01/635371501.db2.gz VWWIXDRTURNHEQ-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001028210541 635476437 /nfs/dbraw/zinc/47/64/37/635476437.db2.gz CTVDFLFHEJKWRG-JTQLQIEISA-N 1 0 247.302 0.022 20 30 BCEDRO C#CC[NH+]1CC[C@@H](CNC(=O)c2n[nH]cc2C)C1 ZINC001028527802 635721709 /nfs/dbraw/zinc/72/17/09/635721709.db2.gz WUEWTXFETMXYGB-NSHDSACASA-N 1 0 246.314 0.403 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2cncn2C)C1 ZINC001028665591 635780410 /nfs/dbraw/zinc/78/04/10/635780410.db2.gz MFZRWVJRMNJBJF-NSHDSACASA-N 1 0 248.330 0.658 20 30 BCEDRO C=C(C)C[N@H+](C)CCCOC(=O)NC(N)=O ZINC000181322812 636042854 /nfs/dbraw/zinc/04/28/54/636042854.db2.gz SUMHOGYGUYJJNL-UHFFFAOYSA-N 1 0 229.280 0.689 20 30 BCEDRO C#CCSCC(=O)NCCC[NH+](C)C ZINC000895469065 636147253 /nfs/dbraw/zinc/14/72/53/636147253.db2.gz BOUHAIJOPZOTPM-UHFFFAOYSA-N 1 0 214.334 0.421 20 30 BCEDRO C#CCN(CC)C(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896844341 636229222 /nfs/dbraw/zinc/22/92/22/636229222.db2.gz KYSSADPAKMUKJI-LBPRGKRZSA-N 1 0 236.315 0.189 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NOCc1ccccn1 ZINC000909540005 636233601 /nfs/dbraw/zinc/23/36/01/636233601.db2.gz JOKXUKBPSJWASG-UHFFFAOYSA-N 1 0 235.287 0.747 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2C[C@@H]2C)CC1 ZINC000928653801 636270854 /nfs/dbraw/zinc/27/08/54/636270854.db2.gz BHIPOMNIDNXMTM-JQWIXIFHSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CCONC(=O)N1CC[C@H](C)[C@H](C[NH3+])C1 ZINC000841913975 636290086 /nfs/dbraw/zinc/29/00/86/636290086.db2.gz XGYAJLCHKMOSFJ-VHSXEESVSA-N 1 0 227.308 0.730 20 30 BCEDRO C#Cc1cccc(CNC(=O)N[C@H](C)C[NH3+])c1 ZINC000841913943 636291777 /nfs/dbraw/zinc/29/17/77/636291777.db2.gz XDWVDPUKOVENJW-SNVBAGLBSA-N 1 0 231.299 0.814 20 30 BCEDRO CCNC(=O)c1cccc(CNC(NC)=[NH+]C)c1 ZINC000303254306 636304232 /nfs/dbraw/zinc/30/42/32/636304232.db2.gz DUSLUSAUYKFLGS-UHFFFAOYSA-N 1 0 248.330 0.731 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCC(=O)NCCC ZINC000303895591 636315330 /nfs/dbraw/zinc/31/53/30/636315330.db2.gz UABUUSSELLERTJ-UHFFFAOYSA-N 1 0 226.324 0.383 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCC[C@H]1CCCCO1 ZINC000305824864 636331972 /nfs/dbraw/zinc/33/19/72/636331972.db2.gz CERURUATSFLBDA-GHMZBOCLSA-N 1 0 243.351 0.885 20 30 BCEDRO C=CC[N@@H+](C)C1CCN(C(=O)c2nc[nH]n2)CC1 ZINC000985705664 636388211 /nfs/dbraw/zinc/38/82/11/636388211.db2.gz VNJRCEGVNBNGGN-UHFFFAOYSA-N 1 0 249.318 0.527 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1CCN(C(=O)COC)[C@H]1C ZINC000985833455 636425134 /nfs/dbraw/zinc/42/51/34/636425134.db2.gz RFZJNAAFWXGOGB-UWVGGRQHSA-N 1 0 246.738 0.964 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)COC)[C@@H]1C ZINC000985834886 636426507 /nfs/dbraw/zinc/42/65/07/636426507.db2.gz WWBLKLFOSHGCBB-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CC2)[C@@H]1C ZINC000985852667 636430120 /nfs/dbraw/zinc/43/01/20/636430120.db2.gz AJWLUVZVLVHZOP-MWLCHTKSSA-N 1 0 206.289 0.609 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)F)[C@@H]1C ZINC000985843678 636430441 /nfs/dbraw/zinc/43/04/41/636430441.db2.gz RABJRZJUKIMMAL-NXEZZACHSA-N 1 0 226.295 0.947 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccncc2)[C@H]1C ZINC000985884733 636443939 /nfs/dbraw/zinc/44/39/39/636443939.db2.gz KUFUFLQHVSMGSJ-WCQYABFASA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccncc2)[C@@H]1C ZINC000985884731 636444434 /nfs/dbraw/zinc/44/44/34/636444434.db2.gz KUFUFLQHVSMGSJ-DGCLKSJQSA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C)on2)[C@H]1C ZINC000985958891 636456611 /nfs/dbraw/zinc/45/66/11/636456611.db2.gz NSGPDRCSHQUUMN-QWRGUYRKSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C)no2)[C@@H]1C ZINC000985959417 636456688 /nfs/dbraw/zinc/45/66/88/636456688.db2.gz VEQDFJZKVBPOKS-MNOVXSKESA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cccn2)[C@@H]1C ZINC000985970395 636458197 /nfs/dbraw/zinc/45/81/97/636458197.db2.gz LNEHQFJDTOLPHB-VXGBXAGGSA-N 1 0 248.330 0.648 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccc[nH]2)[C@H]1C ZINC000985976587 636459867 /nfs/dbraw/zinc/45/98/67/636459867.db2.gz ZWTDJVDCIMKCAE-QWRGUYRKSA-N 1 0 231.299 0.841 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1C ZINC000986021213 636470845 /nfs/dbraw/zinc/47/08/45/636470845.db2.gz KZIKIXFRRCJMDZ-NXEZZACHSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1C ZINC000986027788 636471454 /nfs/dbraw/zinc/47/14/54/636471454.db2.gz XXWNYZOTTXCSKR-ZJUUUORDSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]c2)[C@@H]1C ZINC000986032074 636473188 /nfs/dbraw/zinc/47/31/88/636473188.db2.gz HZXYSASLVSBSGS-KOLCDFICSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]c(C)n2)[C@@H]1C ZINC000986059342 636482530 /nfs/dbraw/zinc/48/25/30/636482530.db2.gz VSRQEJDXGIFKBT-MWLCHTKSSA-N 1 0 246.314 0.544 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccnn2C)[C@H]1C ZINC000986062478 636484348 /nfs/dbraw/zinc/48/43/48/636484348.db2.gz HXVIEIOGAOELSH-QWRGUYRKSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccnn2C)[C@H]1C ZINC000986061747 636484494 /nfs/dbraw/zinc/48/44/94/636484494.db2.gz GMKRMAYLDSRMEE-WDEREUQCSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cscn2)[C@@H]1C ZINC000986070848 636486783 /nfs/dbraw/zinc/48/67/83/636486783.db2.gz UNDJFLHEFOJOOK-ZJUUUORDSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cncnc2)[C@H]1C ZINC000986195791 636543095 /nfs/dbraw/zinc/54/30/95/636543095.db2.gz XESKHXHJGKTHQP-CMPLNLGQSA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(C)nn2)[C@@H]1C ZINC000986230410 636547861 /nfs/dbraw/zinc/54/78/61/636547861.db2.gz IXXGSDTWIIGPDF-ZJUUUORDSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2n[nH]cc2C)[C@@H]1C ZINC000986277270 636552223 /nfs/dbraw/zinc/55/22/23/636552223.db2.gz JHAPTVLLJQOSTG-MNOVXSKESA-N 1 0 246.314 0.544 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)[C@@H]1C ZINC000986330399 636554499 /nfs/dbraw/zinc/55/44/99/636554499.db2.gz CUALYQBUYDITOQ-GHMZBOCLSA-N 1 0 249.318 0.043 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@@H]1C ZINC000986453472 636555483 /nfs/dbraw/zinc/55/54/83/636555483.db2.gz AXDPJHVUDIVLST-BDAKNGLRSA-N 1 0 235.291 0.183 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@@H]1C ZINC000986454994 636555487 /nfs/dbraw/zinc/55/54/87/636555487.db2.gz IJSQBMAQSFWLIR-ZJUUUORDSA-N 1 0 249.318 0.573 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@H]1C ZINC000986454992 636555701 /nfs/dbraw/zinc/55/57/01/636555701.db2.gz IJSQBMAQSFWLIR-UWVGGRQHSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2C)[C@@H]1C ZINC000986634715 636581552 /nfs/dbraw/zinc/58/15/52/636581552.db2.gz NSWJLXJMZKDAJJ-ZYHUDNBSSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)[C@H]1C ZINC000987062236 636619768 /nfs/dbraw/zinc/61/97/68/636619768.db2.gz BDKFPUXLQDKSOG-CMPLNLGQSA-N 1 0 246.314 0.164 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccnnc2)[C@@H]1C ZINC000987062816 636622439 /nfs/dbraw/zinc/62/24/39/636622439.db2.gz METXSQZVQYBNSR-PWSUYJOCSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nc(C)c[nH]2)[C@H]1C ZINC000987163648 636638364 /nfs/dbraw/zinc/63/83/64/636638364.db2.gz YUAYLXDEEBZEJJ-WDEREUQCSA-N 1 0 246.314 0.544 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnon2)[C@H]1C ZINC000987211320 636641133 /nfs/dbraw/zinc/64/11/33/636641133.db2.gz ICJHRZPMPWGVKM-IUCAKERBSA-N 1 0 236.275 0.448 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnon2)[C@@H]1C ZINC000987211318 636641176 /nfs/dbraw/zinc/64/11/76/636641176.db2.gz ICJHRZPMPWGVKM-BDAKNGLRSA-N 1 0 236.275 0.448 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnon2)[C@@H]1C ZINC000987211321 636641926 /nfs/dbraw/zinc/64/19/26/636641926.db2.gz ICJHRZPMPWGVKM-RKDXNWHRSA-N 1 0 236.275 0.448 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2ncc[nH]2)[C@H]1C ZINC000987262027 636643572 /nfs/dbraw/zinc/64/35/72/636643572.db2.gz SWXCTBIRURHFIY-WDEREUQCSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2ncc[nH]2)[C@H]1C ZINC000987262974 636644943 /nfs/dbraw/zinc/64/49/43/636644943.db2.gz XBWCWBZXSGQEBD-WDEREUQCSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]1C ZINC000987525942 636653492 /nfs/dbraw/zinc/65/34/92/636653492.db2.gz PQFWMINXQSFAMH-GHMZBOCLSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)C(C)(C)F)C1 ZINC000987768574 636666614 /nfs/dbraw/zinc/66/66/14/636666614.db2.gz DWXRLESBBPBURD-VHSXEESVSA-N 1 0 226.295 0.947 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccncc2)C1 ZINC000987779957 636666703 /nfs/dbraw/zinc/66/67/03/636666703.db2.gz MEJNJAHBSWMLTN-DGCLKSJQSA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(C)(C)F)C1 ZINC000987768570 636667245 /nfs/dbraw/zinc/66/72/45/636667245.db2.gz DWXRLESBBPBURD-NXEZZACHSA-N 1 0 226.295 0.947 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccccn2)C1 ZINC000987768054 636667374 /nfs/dbraw/zinc/66/73/74/636667374.db2.gz BXZKYJAHWXJPQJ-NWDGAFQWSA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccc[nH]2)C1 ZINC000988035908 636675260 /nfs/dbraw/zinc/67/52/60/636675260.db2.gz IZLHHJNKWOKGSI-GHMZBOCLSA-N 1 0 231.299 0.841 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cn2cccn2)C1 ZINC000988080715 636679175 /nfs/dbraw/zinc/67/91/75/636679175.db2.gz PSFQMHZWANXVJK-RYUDHWBXSA-N 1 0 248.330 0.648 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cncs2)C1 ZINC000988257834 636683529 /nfs/dbraw/zinc/68/35/29/636683529.db2.gz LACUPDADEFVTFM-ZJUUUORDSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cncs2)C1 ZINC000988257828 636684730 /nfs/dbraw/zinc/68/47/30/636684730.db2.gz LACUPDADEFVTFM-NXEZZACHSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C)n[nH]2)C1 ZINC000988253269 636685050 /nfs/dbraw/zinc/68/50/50/636685050.db2.gz ZWSWKXPRMNSYBD-WDEREUQCSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cocn2)C1 ZINC000988302844 636686636 /nfs/dbraw/zinc/68/66/36/636686636.db2.gz LLFQIRHBRSOBJG-ZJUUUORDSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cc2ccon2)C1 ZINC000988394973 636701388 /nfs/dbraw/zinc/70/13/88/636701388.db2.gz SQKQYBICYMVYPJ-ZYHUDNBSSA-N 1 0 247.298 0.429 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ocnc2C)C1 ZINC000988554886 636737239 /nfs/dbraw/zinc/73/72/39/636737239.db2.gz QTNZIZIJUINNCM-GXSJLCMTSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccn(C)c2)C1 ZINC000988603868 636743106 /nfs/dbraw/zinc/74/31/06/636743106.db2.gz NCKZVMRQFMUBAN-AAEUAGOBSA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2coc(C)n2)C1 ZINC000988666442 636754730 /nfs/dbraw/zinc/75/47/30/636754730.db2.gz KHGLMTIPSFOTRW-MWLCHTKSSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cn(C)nn2)C1 ZINC000988779511 636786216 /nfs/dbraw/zinc/78/62/16/636786216.db2.gz UQHQUHYBDMHTJL-ZJUUUORDSA-N 1 0 249.318 0.194 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+]CCF)CN1C(=O)C#CC1CC1 ZINC000988807616 636786850 /nfs/dbraw/zinc/78/68/50/636786850.db2.gz XOWLGRIYOXUNQG-PWSUYJOCSA-N 1 0 238.306 0.948 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cn[nH]n2)C1 ZINC000989086897 636797071 /nfs/dbraw/zinc/79/70/71/636797071.db2.gz IZDAKQUWGJVQFH-NXEZZACHSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnco2)C1 ZINC000989251448 636807300 /nfs/dbraw/zinc/80/73/00/636807300.db2.gz DPJRORNTIGXDSE-UWVGGRQHSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2c[nH]nc2C)C1 ZINC000989264891 636811225 /nfs/dbraw/zinc/81/12/25/636811225.db2.gz AAMAKVSCBVSJAQ-KOLCDFICSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[N@H+](C)CCCN1C(=O)CN(C2CC2)C1=O ZINC000925308938 636813079 /nfs/dbraw/zinc/81/30/79/636813079.db2.gz UMMRNSRMHWQZQT-UHFFFAOYSA-N 1 0 249.314 0.368 20 30 BCEDRO C=CCC[C@@H]1NC(=O)N(C[C@H](C)[NH+](C)C)C1=O ZINC000925319655 636855045 /nfs/dbraw/zinc/85/50/45/636855045.db2.gz KGCDJJWSALTIBE-UWVGGRQHSA-N 1 0 239.319 0.823 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ncccn2)C1 ZINC000989587721 636864677 /nfs/dbraw/zinc/86/46/77/636864677.db2.gz SXQDCVYEIDNCFF-QWRGUYRKSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC000989608066 636867111 /nfs/dbraw/zinc/86/71/11/636867111.db2.gz GYQBHOXMFHCSDR-QWRGUYRKSA-N 1 0 246.314 0.164 20 30 BCEDRO C#CCNC(=O)CN(C)C[C@@H]1CCCCO1 ZINC000108645065 636870974 /nfs/dbraw/zinc/87/09/74/636870974.db2.gz UZKLRIYTWBEPIN-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C=CC[N@@H+]1CCCN(C(=O)Cn2ccnc2)CC1 ZINC000989786920 636879867 /nfs/dbraw/zinc/87/98/67/636879867.db2.gz BVOLLCFUSAJDEU-UHFFFAOYSA-N 1 0 248.330 0.603 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2nonc2C)C1 ZINC000989850151 636885668 /nfs/dbraw/zinc/88/56/68/636885668.db2.gz NODLMWNPMGVOMJ-WPRPVWTQSA-N 1 0 248.286 0.204 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@H]2C[C@H]2C)CC1 ZINC000989890962 636890648 /nfs/dbraw/zinc/89/06/48/636890648.db2.gz VPJAILLNYBUQJC-PWSUYJOCSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000989911535 636897754 /nfs/dbraw/zinc/89/77/54/636897754.db2.gz GCKDEMMYXROMNX-GFCCVEGCSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCOCC[NH2+]C1CCN(OC)CC1 ZINC000323100641 636899172 /nfs/dbraw/zinc/89/91/72/636899172.db2.gz CFWJFKHAFSCBJM-UHFFFAOYSA-N 1 0 214.309 0.804 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ccc[nH]2)CC1 ZINC000989927802 636899215 /nfs/dbraw/zinc/89/92/15/636899215.db2.gz HCCDSYYCBVDGBK-UHFFFAOYSA-N 1 0 231.299 0.842 20 30 BCEDRO N#Cc1ccc(NCC[NH2+][C@H]2CCOC2)nc1 ZINC000927163558 637071295 /nfs/dbraw/zinc/07/12/95/637071295.db2.gz FCAOERGQYQMSLD-NSHDSACASA-N 1 0 232.287 0.744 20 30 BCEDRO C=CCCNS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000162026873 637159832 /nfs/dbraw/zinc/15/98/32/637159832.db2.gz UEXJRLMNBJIWRU-VIFPVBQESA-N 1 0 218.322 0.234 20 30 BCEDRO C#CCN(CC)C(=O)C(=C)CC[NH+](C)C ZINC000900354391 637178992 /nfs/dbraw/zinc/17/89/92/637178992.db2.gz ZUHQLWKQTHWXDF-UHFFFAOYSA-N 1 0 208.305 0.976 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCC#N ZINC000900357335 637181584 /nfs/dbraw/zinc/18/15/84/637181584.db2.gz TUMUAAXXFBMUFM-UHFFFAOYSA-N 1 0 209.293 0.866 20 30 BCEDRO C[C@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(C#N)ccn1 ZINC000903069862 637340605 /nfs/dbraw/zinc/34/06/05/637340605.db2.gz KZBLTSYPPGFWPE-LSJOCFKGSA-N 1 0 244.298 0.868 20 30 BCEDRO COc1cc(C[NH2+]CCCON)ccc1C#N ZINC000904457764 637418931 /nfs/dbraw/zinc/41/89/31/637418931.db2.gz RHMWYULMUALZMS-UHFFFAOYSA-N 1 0 235.287 0.937 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ccn(C)c2)CC1 ZINC000991055916 637487786 /nfs/dbraw/zinc/48/77/86/637487786.db2.gz NUTVUGLAPJRJIG-UHFFFAOYSA-N 1 0 245.326 0.853 20 30 BCEDRO Cc1ncc(CO)c(/C=N\C[C@H]2CC[N@H+]2C)c1O ZINC000905001949 637539092 /nfs/dbraw/zinc/53/90/92/637539092.db2.gz DBHANIDFEMLOKQ-DKTFCQPKSA-N 1 0 249.314 0.711 20 30 BCEDRO C[N@@H+]1CC[C@H]1C/N=C\c1ccc(O)c(O)c1O ZINC000905004016 637540390 /nfs/dbraw/zinc/54/03/90/637540390.db2.gz ZCBZWOMTXOBZKO-FVNYMESBSA-N 1 0 236.271 0.926 20 30 BCEDRO CNC(NC[C@@](C)(O)c1cccc(F)c1)=[NH+]C ZINC000905032411 637554401 /nfs/dbraw/zinc/55/44/01/637554401.db2.gz KTBIPAPUYKSJOL-GFCCVEGCSA-N 1 0 239.294 0.828 20 30 BCEDRO C[C@@](O)(C[NH2+]C1CCN(CC#N)CC1)C(F)F ZINC000905098995 637608492 /nfs/dbraw/zinc/60/84/92/637608492.db2.gz XZGXPXRJJGTKMO-LLVKDONJSA-N 1 0 247.289 0.580 20 30 BCEDRO C[C@H](C#N)C[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905104393 637611695 /nfs/dbraw/zinc/61/16/95/637611695.db2.gz FSXFCMFHGHIOLA-MNOVXSKESA-N 1 0 226.320 0.792 20 30 BCEDRO C[C@@H](C#N)C[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905107200 637615874 /nfs/dbraw/zinc/61/58/74/637615874.db2.gz WMMWQHMDHIINJW-QWRGUYRKSA-N 1 0 226.320 0.792 20 30 BCEDRO N#CCCCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905092017 637632607 /nfs/dbraw/zinc/63/26/07/637632607.db2.gz CAEQAJITKHBFSR-JTQLQIEISA-N 1 0 212.293 0.546 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C(C)(F)F ZINC000905151191 637661753 /nfs/dbraw/zinc/66/17/53/637661753.db2.gz IVEYHNTXQLNPAV-UHFFFAOYSA-N 1 0 204.220 0.323 20 30 BCEDRO N#CCCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905204635 637695727 /nfs/dbraw/zinc/69/57/27/637695727.db2.gz RBSKBKOHODLSNR-JTQLQIEISA-N 1 0 212.293 0.546 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905206261 637695841 /nfs/dbraw/zinc/69/58/41/637695841.db2.gz BKSMBNFJIUBMGH-GFCCVEGCSA-N 1 0 241.331 0.282 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)C1(O)CCCC1)C(C)C ZINC000905246367 637705918 /nfs/dbraw/zinc/70/59/18/637705918.db2.gz GUWBQSPUSREGJL-VXGBXAGGSA-N 1 0 225.332 0.900 20 30 BCEDRO C=CCCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905240876 637724521 /nfs/dbraw/zinc/72/45/21/637724521.db2.gz AWYISGUAZALNNI-NEPJUHHUSA-N 1 0 229.320 0.445 20 30 BCEDRO C=CC(C)(C)C[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905272403 637729142 /nfs/dbraw/zinc/72/91/42/637729142.db2.gz GWHWMDWQEVPNFK-YPMHNXCESA-N 1 0 243.347 0.691 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)[C@H]1C ZINC001074568484 711443711 /nfs/dbraw/zinc/44/37/11/711443711.db2.gz PILYVJFQPBCNHU-DCAQKATOSA-N 1 0 219.288 0.358 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905356857 637774970 /nfs/dbraw/zinc/77/49/70/637774970.db2.gz IFVJPMVQSWKPDQ-NWDGAFQWSA-N 1 0 243.347 0.569 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CC1(O)CCCC1 ZINC000905359685 637778447 /nfs/dbraw/zinc/77/84/47/637778447.db2.gz VPAISILYBZPQRK-NWDGAFQWSA-N 1 0 241.331 0.016 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@](C)(O)C(F)F ZINC000905365388 637788205 /nfs/dbraw/zinc/78/82/05/637788205.db2.gz PFKPLGAUGMRLGW-PSASIEDQSA-N 1 0 221.247 0.366 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@](C)(O)C(F)F ZINC000905364918 637788379 /nfs/dbraw/zinc/78/83/79/637788379.db2.gz HGJMRRNLASQMDV-PSASIEDQSA-N 1 0 223.263 0.777 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)CC1(O)CCCCC1 ZINC000905367811 637790161 /nfs/dbraw/zinc/79/01/61/637790161.db2.gz VUQMXTUCKNWSGD-VXGBXAGGSA-N 1 0 241.331 0.016 20 30 BCEDRO c1nncn1[NH+]=C1C[C@H]2CCCN(C1)C2 ZINC000905417080 637803978 /nfs/dbraw/zinc/80/39/78/637803978.db2.gz NKEYXYKPAWQTTA-SECBINFHSA-N 1 0 205.265 0.598 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000905451331 637810077 /nfs/dbraw/zinc/81/00/77/637810077.db2.gz KFLQRAZRECBAIQ-NWDGAFQWSA-N 1 0 238.331 0.958 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@](C)(O)C(F)F ZINC000905451776 637810089 /nfs/dbraw/zinc/81/00/89/637810089.db2.gz LCSYUADRPIXAPI-SCZZXKLOSA-N 1 0 223.263 0.919 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@](C)(O)C(F)F ZINC000905451775 637810376 /nfs/dbraw/zinc/81/03/76/637810376.db2.gz LCSYUADRPIXAPI-PSASIEDQSA-N 1 0 223.263 0.919 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnn(CCF)c2)N1 ZINC000905460667 637824208 /nfs/dbraw/zinc/82/42/08/637824208.db2.gz NOJLTJRBPMEWBF-MRVPVSSYSA-N 1 0 238.270 0.124 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905461703 637824288 /nfs/dbraw/zinc/82/42/88/637824288.db2.gz RGKPCTNFBLYXDT-CMPLNLGQSA-N 1 0 246.301 0.690 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C[C@@](C)(O)C(F)F)C1 ZINC000905461706 637825292 /nfs/dbraw/zinc/82/52/92/637825292.db2.gz RGKPCTNFBLYXDT-ZYHUDNBSSA-N 1 0 246.301 0.690 20 30 BCEDRO CN1CC[C@@H]1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000905547427 637839213 /nfs/dbraw/zinc/83/92/13/637839213.db2.gz WXISRWDWCWRNSA-GHMZBOCLSA-N 1 0 223.320 0.335 20 30 BCEDRO C[C@@H]1[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CCN1C ZINC000905543845 637840405 /nfs/dbraw/zinc/84/04/05/637840405.db2.gz RNSDPDDZSZSVLN-WOPDTQHZSA-N 1 0 239.363 0.969 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000668463805 637846233 /nfs/dbraw/zinc/84/62/33/637846233.db2.gz ZDCIEWJNSFGIRM-PWSUYJOCSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cncc(O)c1 ZINC000905624592 637862022 /nfs/dbraw/zinc/86/20/22/637862022.db2.gz HPZSNNURLMVFHT-UHFFFAOYSA-N 1 0 233.271 0.016 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](COC)C(C)C ZINC000905616458 637868293 /nfs/dbraw/zinc/86/82/93/637868293.db2.gz JLQVAEMFSPOACF-LBPRGKRZSA-N 1 0 240.347 0.634 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H]2CCC[C@@H]21 ZINC000905667915 637877157 /nfs/dbraw/zinc/87/71/57/637877157.db2.gz SCSMREPTGNATCV-GRYCIOLGSA-N 1 0 220.316 0.904 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CC[C@H](O)C2CC2)CC1 ZINC000905692914 637895813 /nfs/dbraw/zinc/89/58/13/637895813.db2.gz YHVLQZTZPYLKJL-RYUDHWBXSA-N 1 0 238.331 0.792 20 30 BCEDRO C#CCN(CN1C(=O)[C@@H]2CC[C@@H]2C1=O)C(C)C ZINC000905747810 637897318 /nfs/dbraw/zinc/89/73/18/637897318.db2.gz CYBODMYXFFACCV-PHIMTYICSA-N 1 0 234.299 0.683 20 30 BCEDRO C#CCN(CN1C[C@@H]2CCO[C@@H]2C1=O)C(C)C ZINC000905748138 637897842 /nfs/dbraw/zinc/89/78/42/637897842.db2.gz FFQOVJMRFBLLTC-RYUDHWBXSA-N 1 0 236.315 0.535 20 30 BCEDRO C[NH2+][C@H](C)c1cn(Cc2cncc(C#N)c2)nn1 ZINC000905838580 637939738 /nfs/dbraw/zinc/93/97/38/637939738.db2.gz RDICMJYITYBQCC-SECBINFHSA-N 1 0 242.286 0.873 20 30 BCEDRO CC[C@@H](CO)[NH2+]C[C@H](O)CC1(C#N)CCC1 ZINC000905871179 637956364 /nfs/dbraw/zinc/95/63/64/637956364.db2.gz WHBPZFNEWHPTSP-WDEREUQCSA-N 1 0 226.320 0.792 20 30 BCEDRO C=C[C@H](NCc1cc(N(C)C)cc[nH+]1)C(=O)OC ZINC000905850026 637964398 /nfs/dbraw/zinc/96/43/98/637964398.db2.gz JJXGMLIHJIBCKP-LBPRGKRZSA-N 1 0 249.314 0.965 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)CCC1(O)CCC1 ZINC000905926908 637976199 /nfs/dbraw/zinc/97/61/99/637976199.db2.gz XHTHYZDZPDWSLW-GFCCVEGCSA-N 1 0 225.332 0.998 20 30 BCEDRO C[C@@H]1CC[N@@H+]1C[C@@H](O)CN(C)CCC#N ZINC000905974181 637988012 /nfs/dbraw/zinc/98/80/12/637988012.db2.gz KPKNUFTVVPFDJU-MNOVXSKESA-N 1 0 211.309 0.287 20 30 BCEDRO C[C@H]1CC[N@@H+]1C[C@H](O)CN(C)CCC#N ZINC000905974186 637991897 /nfs/dbraw/zinc/99/18/97/637991897.db2.gz KPKNUFTVVPFDJU-WDEREUQCSA-N 1 0 211.309 0.287 20 30 BCEDRO CC[C@H](C(=O)N[C@](C)(C#N)COC)[NH+](C)C ZINC000906994924 638286595 /nfs/dbraw/zinc/28/65/95/638286595.db2.gz XQBVWLGPUHTVPS-MWLCHTKSSA-N 1 0 227.308 0.371 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H]([C@H](C)O)C1 ZINC000907263548 638335584 /nfs/dbraw/zinc/33/55/84/638335584.db2.gz IMXWVRLKMZBFHY-RYUDHWBXSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1nnc(C)n1C ZINC000907335856 638347189 /nfs/dbraw/zinc/34/71/89/638347189.db2.gz SCRPESWUGPTACX-UHFFFAOYSA-N 1 0 237.307 0.570 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOCCOCC ZINC000907477025 638386238 /nfs/dbraw/zinc/38/62/38/638386238.db2.gz LSXMIUMKVCVARI-UHFFFAOYSA-N 1 0 230.308 0.579 20 30 BCEDRO C#C[C@@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CCCO1 ZINC000907489492 638390083 /nfs/dbraw/zinc/39/00/83/638390083.db2.gz ZNPBMQAHIUPPNK-IJLUTSLNSA-N 1 0 238.331 0.624 20 30 BCEDRO N#C[C@@]1(F)CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000907635931 638428204 /nfs/dbraw/zinc/42/82/04/638428204.db2.gz MFYZWOMQYZQZJG-LBPRGKRZSA-N 1 0 237.278 0.546 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOC[C@@H]1CCOC1 ZINC000907664960 638438155 /nfs/dbraw/zinc/43/81/55/638438155.db2.gz CMBBLOSGODAPIF-LLVKDONJSA-N 1 0 242.319 0.579 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCCCO ZINC000907802761 638470242 /nfs/dbraw/zinc/47/02/42/638470242.db2.gz GEWMNNVFEKSBLW-UHFFFAOYSA-N 1 0 214.309 0.383 20 30 BCEDRO C#CCSCC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000907762530 638465166 /nfs/dbraw/zinc/46/51/66/638465166.db2.gz FDULRZXFWJPWMT-UHFFFAOYSA-N 1 0 238.356 0.517 20 30 BCEDRO CC1(C#N)CN(C(=O)Cc2cnc[nH]2)C1 ZINC000907930188 638506839 /nfs/dbraw/zinc/50/68/39/638506839.db2.gz MUTPQNDBLPVIIZ-UHFFFAOYSA-N 1 0 204.233 0.324 20 30 BCEDRO C[C@@H](CC#N)C(=O)NC1CC([NH+](C)C)C1 ZINC000908013997 638549419 /nfs/dbraw/zinc/54/94/19/638549419.db2.gz YNHKKXWUQWPYJM-IDKOKCKLSA-N 1 0 209.293 0.745 20 30 BCEDRO CCC[N@@H+]1CCC[C@H](C(=O)NCC#CCO)C1 ZINC000908030178 638553380 /nfs/dbraw/zinc/55/33/80/638553380.db2.gz SHOWZUDOVDYUPB-LBPRGKRZSA-N 1 0 238.331 0.220 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1nncn1CC ZINC000908073489 638565533 /nfs/dbraw/zinc/56/55/33/638565533.db2.gz NCLXXIDYARIIDH-UHFFFAOYSA-N 1 0 237.307 0.744 20 30 BCEDRO C=CCCS(=O)(=O)N[C@](C)(C[NH3+])C(C)C ZINC000711064947 711455858 /nfs/dbraw/zinc/45/58/58/711455858.db2.gz JMUVAXHQGQRXBZ-SNVBAGLBSA-N 1 0 234.365 0.855 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)C[C@@H](C)OC ZINC000908176769 638587659 /nfs/dbraw/zinc/58/76/59/638587659.db2.gz FQHFUTJTXRJDOA-LLVKDONJSA-N 1 0 228.336 0.988 20 30 BCEDRO C=C1CCC(C(=O)N[C@H](CO)C[NH+](C)C)CC1 ZINC000908199297 638605796 /nfs/dbraw/zinc/60/57/96/638605796.db2.gz CMXRDOLTZIWMFF-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO CC(C)C#CC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908201235 638610981 /nfs/dbraw/zinc/61/09/81/638610981.db2.gz CLTXIEGRVRNPTK-LBPRGKRZSA-N 1 0 238.331 0.219 20 30 BCEDRO C[C@@H](CC#N)C(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000908208346 638611855 /nfs/dbraw/zinc/61/18/55/638611855.db2.gz PIVDWZANUWCCSD-QWRGUYRKSA-N 1 0 239.319 0.109 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCc2[nH]cnc2C1 ZINC000908264643 638626491 /nfs/dbraw/zinc/62/64/91/638626491.db2.gz MKNSIRYIPINWIS-UHFFFAOYSA-N 1 0 248.330 0.802 20 30 BCEDRO CC1(C)C[C@]1(C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000908298512 638647588 /nfs/dbraw/zinc/64/75/88/638647588.db2.gz GZWFDULUBUYGAI-CYBMUJFWSA-N 1 0 233.315 0.891 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)CC1COC1 ZINC000908436353 638713298 /nfs/dbraw/zinc/71/32/98/638713298.db2.gz QTRJLVTZZZTNEE-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C1CC1)C1COC1 ZINC000908510511 639003978 /nfs/dbraw/zinc/00/39/78/639003978.db2.gz WFQPZHBYCHTHEI-UHFFFAOYSA-N 1 0 238.331 0.884 20 30 BCEDRO C=C(C)CCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000908928908 639102850 /nfs/dbraw/zinc/10/28/50/639102850.db2.gz IQHONMJGSABRBG-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC(COC)COC ZINC000909031132 639121013 /nfs/dbraw/zinc/12/10/13/639121013.db2.gz SLTIRVBBCROFHZ-UHFFFAOYSA-N 1 0 244.335 0.272 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CC)[C@H](C)O ZINC000909025911 639127159 /nfs/dbraw/zinc/12/71/59/639127159.db2.gz NGXAMMFHSWOSQH-WDEREUQCSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCC1(CO)CC1 ZINC000909230959 639180594 /nfs/dbraw/zinc/18/05/94/639180594.db2.gz YKKMHQIZETXGTK-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](O)[C@H]1C ZINC000909263415 639187376 /nfs/dbraw/zinc/18/73/76/639187376.db2.gz HSXLAUHNYQSIHT-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO N#C[C@H](CO)NC(=O)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000909304973 639201032 /nfs/dbraw/zinc/20/10/32/639201032.db2.gz JASGRFQVPXPKTG-MXWKQRLJSA-N 1 0 237.303 0.004 20 30 BCEDRO N#C[C@H](CO)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000909304972 639201806 /nfs/dbraw/zinc/20/18/06/639201806.db2.gz JASGRFQVPXPKTG-GMTAPVOTSA-N 1 0 237.303 0.004 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC1CSC1 ZINC000909310081 639203411 /nfs/dbraw/zinc/20/34/11/639203411.db2.gz VWZPJIXKNIWKAX-UHFFFAOYSA-N 1 0 228.361 0.974 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](F)C(=O)OC ZINC000909909962 639267448 /nfs/dbraw/zinc/26/74/48/639267448.db2.gz XGJJKRDWBDWHTN-VIFPVBQESA-N 1 0 246.282 0.122 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)C(=C)CC[NH+](C)C ZINC000909921772 639288500 /nfs/dbraw/zinc/28/85/00/639288500.db2.gz DRRGTWGELWLRJG-LBPRGKRZSA-N 1 0 236.315 0.355 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CC=CC2)CC1 ZINC000910004922 639312578 /nfs/dbraw/zinc/31/25/78/639312578.db2.gz FLWPMLAGDMHKIB-UHFFFAOYSA-N 1 0 218.300 0.730 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCO[C@H](CF)C1 ZINC000910403411 639431881 /nfs/dbraw/zinc/43/18/81/639431881.db2.gz PWAYELQGXUJALG-LLVKDONJSA-N 1 0 244.310 0.691 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1n[nH]cc1C#N ZINC000910945318 639548872 /nfs/dbraw/zinc/54/88/72/639548872.db2.gz VSRWSIIUXJFZHX-UHFFFAOYSA-N 1 0 233.275 0.728 20 30 BCEDRO C[C@H](O)[C@@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000930218589 639637431 /nfs/dbraw/zinc/63/74/31/639637431.db2.gz ATZSDBODIRVUBY-GWCFXTLKSA-N 1 0 246.310 0.879 20 30 BCEDRO C=C(C)C[N@H+](C)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000930243624 639651362 /nfs/dbraw/zinc/65/13/62/639651362.db2.gz HLPRSOJAITZGRX-RYUDHWBXSA-N 1 0 229.320 0.397 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CO)CC#CC ZINC000911606378 639675483 /nfs/dbraw/zinc/67/54/83/639675483.db2.gz NIXGHPJROVRUBN-LBPRGKRZSA-N 1 0 238.331 0.385 20 30 BCEDRO C[C@H](CO)[N@H+](C[C@H](O)CC#N)CC1CCC1 ZINC000930291553 639685007 /nfs/dbraw/zinc/68/50/07/639685007.db2.gz BTXUMRCTQIMJNP-ZYHUDNBSSA-N 1 0 226.320 0.744 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)CCOC2CC2)C1=O ZINC000930310085 639695399 /nfs/dbraw/zinc/69/53/99/639695399.db2.gz ANSAKQOAVCCSAY-GFCCVEGCSA-N 1 0 238.331 0.884 20 30 BCEDRO N#CC1(C(=O)N2CC[NH2+]CC2)CCSCC1 ZINC000911647065 639699387 /nfs/dbraw/zinc/69/93/87/639699387.db2.gz NUNWYGZUKJXHRV-UHFFFAOYSA-N 1 0 239.344 0.455 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000911654813 639709185 /nfs/dbraw/zinc/70/91/85/639709185.db2.gz CQPGQWLRJXMALP-IJLUTSLNSA-N 1 0 238.331 0.788 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CCCCC[C@@H]1CCO ZINC000930371317 639734742 /nfs/dbraw/zinc/73/47/42/639734742.db2.gz RIOWKVJAPYZZLU-VXGBXAGGSA-N 1 0 226.320 0.888 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CC[C@@H](C[NH3+])C1 ZINC000911739097 639764170 /nfs/dbraw/zinc/76/41/70/639764170.db2.gz PVDDMROCAADYBK-SRVKXCTJSA-N 1 0 238.331 0.775 20 30 BCEDRO C#CC[N@H+](Cc1ccccc1)C[C@@H](O)[C@@H](C)O ZINC000930476681 639771567 /nfs/dbraw/zinc/77/15/67/639771567.db2.gz RYNKPPOGERAIGY-TZMCWYRMSA-N 1 0 233.311 0.864 20 30 BCEDRO CC[C@H](C)[N@H+](CCO)C[C@H](O)CC#N ZINC000930489213 639777781 /nfs/dbraw/zinc/77/77/81/639777781.db2.gz PCOJZFUFEBRUGQ-VHSXEESVSA-N 1 0 200.282 0.354 20 30 BCEDRO CCC[C@@]1(CO)CC[N@H+](C[C@H](O)CC#N)C1 ZINC000930505975 639787161 /nfs/dbraw/zinc/78/71/61/639787161.db2.gz YGRNPWLMKRQTHG-VXGBXAGGSA-N 1 0 226.320 0.745 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC(C[NH2+]C)CC1 ZINC000911777344 639798684 /nfs/dbraw/zinc/79/86/84/639798684.db2.gz JUXHMGLHBXORIM-LBPRGKRZSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCN(C=O)CC1 ZINC000930535783 639803623 /nfs/dbraw/zinc/80/36/23/639803623.db2.gz KOECUGMXOCYDMX-LLVKDONJSA-N 1 0 212.293 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CO[C@@H]1CCCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000930853298 639950013 /nfs/dbraw/zinc/95/00/13/639950013.db2.gz RJRKVICBLRLFNF-GMTAPVOTSA-N 1 0 212.293 0.808 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C(COC)COC)C1 ZINC000930885158 639957359 /nfs/dbraw/zinc/95/73/59/639957359.db2.gz KFJTXIRNBLFNFE-LLVKDONJSA-N 1 0 211.305 0.993 20 30 BCEDRO CC#CC[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C ZINC000930907338 639982114 /nfs/dbraw/zinc/98/21/14/639982114.db2.gz BZOQTVUBJVFVRC-GMTAPVOTSA-N 1 0 208.305 0.984 20 30 BCEDRO C[C@@H]1CC[C@@H](C(N)=O)[C@H](C)[N@@H+]1C[C@H](O)CC#N ZINC000930913973 639985107 /nfs/dbraw/zinc/98/51/07/639985107.db2.gz YUJKZQBUJKMVNA-LMLFDSFASA-N 1 0 239.319 0.235 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccc(Cl)nc1 ZINC000912209721 639994393 /nfs/dbraw/zinc/99/43/93/639994393.db2.gz YKJUUROICWNCCV-UHFFFAOYSA-N 1 0 237.690 0.574 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NCC(=O)OCC ZINC000912248001 640010827 /nfs/dbraw/zinc/01/08/27/640010827.db2.gz IYYHXBWKWCRUOK-SECBINFHSA-N 1 0 228.292 0.349 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000931020353 640023607 /nfs/dbraw/zinc/02/36/07/640023607.db2.gz BHKFOTKUPUGAKG-UTLUCORTSA-N 1 0 210.277 0.154 20 30 BCEDRO C[C@@H]1CC[N@H+](C[C@H](O)CC#N)C[C@H](C)O1 ZINC000931020269 640024168 /nfs/dbraw/zinc/02/41/68/640024168.db2.gz DBICIPIBZXBDME-OUAUKWLOSA-N 1 0 212.293 0.760 20 30 BCEDRO C=CCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000912379956 640035303 /nfs/dbraw/zinc/03/53/03/640035303.db2.gz YOSXHDDZAYUASE-UHFFFAOYSA-N 1 0 236.319 0.751 20 30 BCEDRO C#CCN(C(=O)[C@@H]1CC[N@@H+](C)C1)C1CSC1 ZINC000912361372 640039057 /nfs/dbraw/zinc/03/90/57/640039057.db2.gz AHZYQTKCGYVAML-SNVBAGLBSA-N 1 0 238.356 0.515 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000931046729 640040695 /nfs/dbraw/zinc/04/06/95/640040695.db2.gz BMTJZFUGACHKEW-WOPDTQHZSA-N 1 0 237.347 0.149 20 30 BCEDRO C#CCN(C(=O)C[NH+](C)C)C1CSC1 ZINC000912369595 640042736 /nfs/dbraw/zinc/04/27/36/640042736.db2.gz NNLAIKDBCDSZIY-UHFFFAOYSA-N 1 0 212.318 0.125 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2C[C@@H](O)[C@@H](C)O ZINC000931063428 640051259 /nfs/dbraw/zinc/05/12/59/640051259.db2.gz RQYKOVYDFBENRX-WISYIIOYSA-N 1 0 211.305 0.911 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@](O)(CC)C(F)(F)F ZINC000931066133 640054262 /nfs/dbraw/zinc/05/42/62/640054262.db2.gz AIXIMNRDZQNJJF-HTQZYQBOSA-N 1 0 227.226 0.826 20 30 BCEDRO C[C@H]1C[N@H+](C[C@H](O)CC#N)C[C@@]1(C)CO ZINC000931067554 640055809 /nfs/dbraw/zinc/05/58/09/640055809.db2.gz WEBWZXUOBUHSGP-AXFHLTTASA-N 1 0 212.293 0.211 20 30 BCEDRO C#CC1(O)CC[NH+]([C@@H]2CCN(CC=C)C2=O)CC1 ZINC000931149942 640077567 /nfs/dbraw/zinc/07/75/67/640077567.db2.gz UNUKULSTWBFPQY-GFCCVEGCSA-N 1 0 248.326 0.233 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H](O)CCOCC)CC1 ZINC000931150536 640078289 /nfs/dbraw/zinc/07/82/89/640078289.db2.gz FVBMLEFZJYISOJ-LBPRGKRZSA-N 1 0 241.331 0.234 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2cccnc2N)CC1 ZINC000931149282 640079177 /nfs/dbraw/zinc/07/91/77/640079177.db2.gz GEYVWHDTYNNQTC-UHFFFAOYSA-N 1 0 231.299 0.624 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@](C)(O)C(F)F)CC1 ZINC000931154615 640079921 /nfs/dbraw/zinc/07/99/21/640079921.db2.gz YKXKJISBHDYHBO-SNVBAGLBSA-N 1 0 233.258 0.463 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H]2CC3(CC3)C(=O)O2)CC1 ZINC000931151404 640080627 /nfs/dbraw/zinc/08/06/27/640080627.db2.gz SZIGGSIXZAZJME-LLVKDONJSA-N 1 0 249.310 0.542 20 30 BCEDRO C#CC1(O)CC[NH+](CCN(C#N)CC)CC1 ZINC000931151206 640080690 /nfs/dbraw/zinc/08/06/90/640080690.db2.gz HUNHNVJCPYNYRE-UHFFFAOYSA-N 1 0 221.304 0.249 20 30 BCEDRO C#CC1(O)CC[NH+]([C@H]2CCCN(C)C2=O)CC1 ZINC000931151658 640080747 /nfs/dbraw/zinc/08/07/47/640080747.db2.gz ZXLWEVCQHFOPIG-NSHDSACASA-N 1 0 236.315 0.067 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NCCC(=O)OC ZINC000912450625 640081214 /nfs/dbraw/zinc/08/12/14/640081214.db2.gz AIHPGFFUHPFJLW-VIFPVBQESA-N 1 0 228.292 0.349 20 30 BCEDRO C#CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912598369 640121921 /nfs/dbraw/zinc/12/19/21/640121921.db2.gz DKPPJBHYSIMGFF-ZJUUUORDSA-N 1 0 206.289 0.609 20 30 BCEDRO C=CC[C@H](C(=O)OC)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278310 640129764 /nfs/dbraw/zinc/12/97/64/640129764.db2.gz VVCMYJJHBIHBHW-KXNHARMFSA-N 1 0 238.331 0.596 20 30 BCEDRO COCC#CCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278461 640130055 /nfs/dbraw/zinc/13/00/55/640130055.db2.gz DIVQQJIKCVKEFB-GDNZZTSVSA-N 1 0 208.305 0.128 20 30 BCEDRO C#CCOCCN1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000931313375 640149497 /nfs/dbraw/zinc/14/94/97/640149497.db2.gz AYNPCIGKMRJIET-ZIAGYGMSSA-N 1 0 236.359 0.910 20 30 BCEDRO C=CCOCC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912879741 640228917 /nfs/dbraw/zinc/22/89/17/640228917.db2.gz KCVWQWDBLJAQSK-UHFFFAOYSA-N 1 0 238.331 0.886 20 30 BCEDRO CC#CC(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912874804 640229201 /nfs/dbraw/zinc/22/92/01/640229201.db2.gz IMWJHBAYRVLZGG-UHFFFAOYSA-N 1 0 206.289 0.706 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2coc(C)n2)CC1 ZINC000991415643 640229712 /nfs/dbraw/zinc/22/97/12/640229712.db2.gz CSYNESLDLJQMQH-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCc2[nH+]ccc(N)c2C1 ZINC000931515018 640243393 /nfs/dbraw/zinc/24/33/93/640243393.db2.gz LEKWBPYDPBIYNM-CYBMUJFWSA-N 1 0 233.315 0.959 20 30 BCEDRO C#CCOCCN1CCc2[nH+]ccc(N)c2C1 ZINC000931515480 640248114 /nfs/dbraw/zinc/24/81/14/640248114.db2.gz GBWNRVVTNPFWRX-UHFFFAOYSA-N 1 0 231.299 0.672 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@H]([NH+]2CCC2)C1 ZINC000912905244 640250036 /nfs/dbraw/zinc/25/00/36/640250036.db2.gz ZAOZBBHQTOZHOB-LBPRGKRZSA-N 1 0 218.300 0.706 20 30 BCEDRO CC1(C)C[C@@H](O)C[N@H+](C[C@H](O)CC#N)C1 ZINC000931552466 640269370 /nfs/dbraw/zinc/26/93/70/640269370.db2.gz YENXQZFQADQFEB-NXEZZACHSA-N 1 0 212.293 0.354 20 30 BCEDRO COCC[N@H+](C[C@H](O)CC#N)C1CCOCC1 ZINC000931566301 640275578 /nfs/dbraw/zinc/27/55/78/640275578.db2.gz WKODCEDZPAQXOT-GFCCVEGCSA-N 1 0 242.319 0.388 20 30 BCEDRO COC1(OC)CC[N@@H+]([C@H](C)CCC#N)C[C@@H]1O ZINC000931636765 640299850 /nfs/dbraw/zinc/29/98/50/640299850.db2.gz XLIPQBTYQVXKTM-MNOVXSKESA-N 1 0 242.319 0.734 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931652780 640304386 /nfs/dbraw/zinc/30/43/86/640304386.db2.gz JFMZZPKOJCHVBA-RKDXNWHRSA-N 1 0 212.293 0.038 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931652778 640304890 /nfs/dbraw/zinc/30/48/90/640304890.db2.gz JFMZZPKOJCHVBA-IUCAKERBSA-N 1 0 212.293 0.038 20 30 BCEDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCCSCC#N ZINC000931660613 640307895 /nfs/dbraw/zinc/30/78/95/640307895.db2.gz QKXIWNOIKVNWDI-SECBINFHSA-N 1 0 241.360 0.747 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1COCCC1(OC)OC ZINC000931673689 640308170 /nfs/dbraw/zinc/30/81/70/640308170.db2.gz UDSUHSMZDPEMIG-WDEREUQCSA-N 1 0 245.319 0.291 20 30 BCEDRO COC1(OC)CCOC[C@H]1[NH2+]CCCC#N ZINC000931666966 640309904 /nfs/dbraw/zinc/30/99/04/640309904.db2.gz HXTUEWXIZGXDBU-SNVBAGLBSA-N 1 0 228.292 0.658 20 30 BCEDRO C#CCC1(O)CC[NH+]([C@H](CC)CO)CC1 ZINC000931699800 640322658 /nfs/dbraw/zinc/32/26/58/640322658.db2.gz HPPGKBREEAWVCI-LLVKDONJSA-N 1 0 211.305 0.608 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CCCS2(=O)=O)C1 ZINC000931715538 640335606 /nfs/dbraw/zinc/33/56/06/640335606.db2.gz XKESSUKLLDTDMP-NEPJUHHUSA-N 1 0 241.356 0.909 20 30 BCEDRO CC[C@@H](CO)[NH2+]CC(=O)N(CC)C[C@H](C)C#N ZINC000931766295 640359091 /nfs/dbraw/zinc/35/90/91/640359091.db2.gz AEACZYGHUBJFRK-MNOVXSKESA-N 1 0 241.335 0.355 20 30 BCEDRO CC[C@H](CO)[NH2+]CCCSCC#N ZINC000931766343 640359564 /nfs/dbraw/zinc/35/95/64/640359564.db2.gz BBTKRVYXZCUDJN-SECBINFHSA-N 1 0 202.323 0.994 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CC)CO)C1=O ZINC000931771936 640365014 /nfs/dbraw/zinc/36/50/14/640365014.db2.gz IIVNUALVWUGEBB-VHSXEESVSA-N 1 0 212.293 0.134 20 30 BCEDRO CC[C@H](CO)[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000931773450 640366508 /nfs/dbraw/zinc/36/65/08/640366508.db2.gz TUZYOAHUONAXPM-VXGBXAGGSA-N 1 0 247.298 0.445 20 30 BCEDRO C[C@@H](CC(=O)NCC#CC[NH+](C)C)n1cccn1 ZINC000913523429 640379487 /nfs/dbraw/zinc/37/94/87/640379487.db2.gz ZQHULQKLBRWVHD-LBPRGKRZSA-N 1 0 248.330 0.515 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)NCC#CC[NH+](C)C)[C@@H](C)O1 ZINC000913525119 640379888 /nfs/dbraw/zinc/37/98/88/640379888.db2.gz KRMJOIYVWRLJOP-UTUOFQBUSA-N 1 0 238.331 0.481 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccc[nH]c1=O ZINC000913516154 640380750 /nfs/dbraw/zinc/38/07/50/640380750.db2.gz DDPDFVGBKKOSIU-UHFFFAOYSA-N 1 0 233.271 0.082 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)CCOCC1CC1 ZINC000913519978 640382765 /nfs/dbraw/zinc/38/27/65/640382765.db2.gz XFRCYULQIZSMBM-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO Cc1cnn(C)c1NC(=O)NCC#CC[NH+](C)C ZINC000931890120 640385695 /nfs/dbraw/zinc/38/56/95/640385695.db2.gz DYHDKQCURZUQRB-UHFFFAOYSA-N 1 0 249.318 0.415 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000932003140 640408654 /nfs/dbraw/zinc/40/86/54/640408654.db2.gz PBPGVVMUAHUZES-MNOVXSKESA-N 1 0 227.304 0.618 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)Nc1ccc(C#N)cn1 ZINC000932110757 640427940 /nfs/dbraw/zinc/42/79/40/640427940.db2.gz JRBHWHQELRVSLA-SNVBAGLBSA-N 1 0 245.286 0.779 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](O)CCC)CC1 ZINC000932143405 640438244 /nfs/dbraw/zinc/43/82/44/640438244.db2.gz CKCGIKSQGSGJQS-LBPRGKRZSA-N 1 0 240.347 0.914 20 30 BCEDRO C#CC[N@@H+](CCN1C(=O)CNC1=O)C(C)(C)C ZINC000932464108 640537844 /nfs/dbraw/zinc/53/78/44/640537844.db2.gz LZIHZZCXBGDLPX-UHFFFAOYSA-N 1 0 237.303 0.272 20 30 BCEDRO C#CC[N@@H+](CC(=O)NC(=O)NC)C(C)(C)C ZINC000932465858 640538389 /nfs/dbraw/zinc/53/83/89/640538389.db2.gz NXWSSZSHSWYHET-UHFFFAOYSA-N 1 0 225.292 0.176 20 30 BCEDRO C#CC[N@@H+](CCC(=O)NC(=O)NC)C(C)(C)C ZINC000932464792 640538724 /nfs/dbraw/zinc/53/87/24/640538724.db2.gz LUJCADPPYDHBCO-UHFFFAOYSA-N 1 0 239.319 0.566 20 30 BCEDRO C#CC[N@@H+](CC(=O)NC(=O)NCC)C(C)(C)C ZINC000932470532 640539688 /nfs/dbraw/zinc/53/96/88/640539688.db2.gz UDEVFFKYZGKUFR-UHFFFAOYSA-N 1 0 239.319 0.566 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+](CC)CCC(N)=O ZINC000932481150 640547774 /nfs/dbraw/zinc/54/77/74/640547774.db2.gz RGZSBTUOTLAGLV-SNVBAGLBSA-N 1 0 214.309 0.511 20 30 BCEDRO C[C@@H]1COC[C@@H]1[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000932489038 640555009 /nfs/dbraw/zinc/55/50/09/640555009.db2.gz PBQWDLKXDNZJMM-MXWKQRLJSA-N 1 0 224.304 0.666 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@H]1COC[C@@H]1C ZINC000932497608 640558064 /nfs/dbraw/zinc/55/80/64/640558064.db2.gz LHXUZCMWPOGVIU-RYUDHWBXSA-N 1 0 238.331 0.812 20 30 BCEDRO C#CCC[NH+]1CCC([C@@H]2COC(=O)N2)CC1 ZINC000932772917 640608258 /nfs/dbraw/zinc/60/82/58/640608258.db2.gz KRIPNYDDJVXDGX-NSHDSACASA-N 1 0 222.288 0.830 20 30 BCEDRO CC#CC[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932775133 640610372 /nfs/dbraw/zinc/61/03/72/640610372.db2.gz KVEKVPFSXCWJFN-LLVKDONJSA-N 1 0 222.288 0.830 20 30 BCEDRO C=CC[NH+]1CCC2(CC1)C[C@@H](O)CNC2=O ZINC000932841633 640615898 /nfs/dbraw/zinc/61/58/98/640615898.db2.gz LKHKOONVSWMQBT-SNVBAGLBSA-N 1 0 224.304 0.135 20 30 BCEDRO C=C(C)CN1CC(NC(=O)[C@H]2CCC[N@H+]2C)C1 ZINC001030156274 640641425 /nfs/dbraw/zinc/64/14/25/640641425.db2.gz WNVLCEHVWQEXBP-GFCCVEGCSA-N 1 0 237.347 0.457 20 30 BCEDRO CNC(NCc1ccccc1OC)=[NH+]C ZINC000057887258 640646677 /nfs/dbraw/zinc/64/66/77/640646677.db2.gz QONRXPDHCJHUNJ-UHFFFAOYSA-N 1 0 207.277 0.990 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@H](CS(N)(=O)=O)C1 ZINC000932951492 640650968 /nfs/dbraw/zinc/65/09/68/640650968.db2.gz JBJDMMOGMJGVOW-JTQLQIEISA-N 1 0 232.349 0.563 20 30 BCEDRO C#CCC1([NH2+]CC(=O)Nc2cnccn2)CCC1 ZINC000933295842 640700707 /nfs/dbraw/zinc/70/07/07/640700707.db2.gz XTPFMEPHLKMYEV-UHFFFAOYSA-N 1 0 244.298 0.951 20 30 BCEDRO C#CCC1([NH2+]C[C@H](O)COCCOC)CCC1 ZINC000933296929 640701016 /nfs/dbraw/zinc/70/10/16/640701016.db2.gz RSVQSLMREGOHMF-LBPRGKRZSA-N 1 0 241.331 0.546 20 30 BCEDRO C#CCC1([NH2+]CCS(=O)(=O)NC)CCC1 ZINC000933295514 640701466 /nfs/dbraw/zinc/70/14/66/640701466.db2.gz UUJIDARXZHSKGM-UHFFFAOYSA-N 1 0 230.333 0.071 20 30 BCEDRO C[C@@]1(C#N)CN(CC[NH+]2CCCC2)CCO1 ZINC000933610563 640734111 /nfs/dbraw/zinc/73/41/11/640734111.db2.gz SWYRDJQLVOWQQS-GFCCVEGCSA-N 1 0 223.320 0.697 20 30 BCEDRO O=C1C=COC2(CC[NH+](CCO)CC2)C1 ZINC000933652625 640738817 /nfs/dbraw/zinc/73/88/17/640738817.db2.gz ZGDJTCYRYVVYTQ-UHFFFAOYSA-N 1 0 211.261 0.316 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1CCCNC(=O)C1 ZINC000167815273 640749484 /nfs/dbraw/zinc/74/94/84/640749484.db2.gz HZKXSQYPZAEMIM-QMMMGPOBSA-N 1 0 202.685 0.997 20 30 BCEDRO N#CCCC[N@H+]1C[C@@H]2CCC[C@]2(C(N)=O)C1 ZINC000933749008 640763625 /nfs/dbraw/zinc/76/36/25/640763625.db2.gz BPFXRWIIDXRNBO-JQWIXIFHSA-N 1 0 221.304 0.878 20 30 BCEDRO CC[N@H+](CCO[C@@H](C)C#N)CCC(=O)NC ZINC000933863101 640775486 /nfs/dbraw/zinc/77/54/86/640775486.db2.gz SQCYSGZASXOBAS-JTQLQIEISA-N 1 0 227.308 0.373 20 30 BCEDRO CC[N@@H+](CC#CCOC)CCC(=O)NC ZINC000933864339 640775365 /nfs/dbraw/zinc/77/53/65/640775365.db2.gz TXGRDEXVLVMHMH-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO CC[N@H+](CCC(=O)NC)C[C@H](C#N)CCC#N ZINC000933869457 640777752 /nfs/dbraw/zinc/77/77/52/640777752.db2.gz WFKJIYRIQIYSOC-NSHDSACASA-N 1 0 236.319 0.888 20 30 BCEDRO C=C(Br)CNC(=O)[C@H](C)C[NH3+] ZINC000168302325 640800122 /nfs/dbraw/zinc/80/01/22/640800122.db2.gz OYWADOOJSLPARA-RXMQYKEDSA-N 1 0 221.098 0.606 20 30 BCEDRO CCC#C[C@@H](C)N1CCN(C)CC[N@H+](C)CC1 ZINC000933992918 640802208 /nfs/dbraw/zinc/80/22/08/640802208.db2.gz PYPWJTYJYBZMAP-CQSZACIVSA-N 1 0 237.391 0.968 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CCO)C1CCCC1 ZINC000934006950 640806004 /nfs/dbraw/zinc/80/60/04/640806004.db2.gz UBGCWVJZLZHGJH-GFCCVEGCSA-N 1 0 240.347 0.819 20 30 BCEDRO CC(=O)NCCCNC(=[NH2+])NC(C)(C)C ZINC000170904920 640935757 /nfs/dbraw/zinc/93/57/57/640935757.db2.gz RYMXAVWTOGFZMU-UHFFFAOYSA-N 1 0 214.313 0.215 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCCOCCO)C1 ZINC000170905784 640935900 /nfs/dbraw/zinc/93/59/00/640935900.db2.gz GYUWEXGTETVWDV-JTQLQIEISA-N 1 0 229.324 0.042 20 30 BCEDRO CCCCCCNC(=[NH2+])NCCCNC(C)=O ZINC000170904925 640935955 /nfs/dbraw/zinc/93/59/55/640935955.db2.gz VAHHCBWPXCOFMM-UHFFFAOYSA-N 1 0 242.367 0.997 20 30 BCEDRO CCCNC(=O)CCNC(=[NH2+])Nc1ccccn1 ZINC000170909927 640937344 /nfs/dbraw/zinc/93/73/44/640937344.db2.gz MYTKAGNYLGPLDO-UHFFFAOYSA-N 1 0 249.318 0.725 20 30 BCEDRO CCCCNC(=[NH2+])NC[C@](C)(O)CC ZINC000170912642 640938235 /nfs/dbraw/zinc/93/82/35/640938235.db2.gz VALHALFGEXMIIC-SNVBAGLBSA-N 1 0 201.314 0.852 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@H]2CC[C@H]2OC)C1=O ZINC000934109583 641073451 /nfs/dbraw/zinc/07/34/51/641073451.db2.gz AXYIUTCZUZVFII-SDDRHHMPSA-N 1 0 238.331 0.883 20 30 BCEDRO C#CCSCC[NH2+]Cc1cn(C)nn1 ZINC000230665659 641082928 /nfs/dbraw/zinc/08/29/28/641082928.db2.gz PCKIUWYLYPTVTQ-UHFFFAOYSA-N 1 0 210.306 0.271 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000934128178 641085523 /nfs/dbraw/zinc/08/55/23/641085523.db2.gz QJXMIDCHDVVQHZ-HBNTYKKESA-N 1 0 224.304 0.234 20 30 BCEDRO C=CCCC[NH2+][C@](C)(Cn1cccn1)C(N)=O ZINC000934226314 641106347 /nfs/dbraw/zinc/10/63/47/641106347.db2.gz KTYMXIZNZAXDRG-GFCCVEGCSA-N 1 0 236.319 0.683 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)Cc1cccnc1 ZINC000934242599 641113134 /nfs/dbraw/zinc/11/31/34/641113134.db2.gz XBPGHPRPCRDHJJ-LLVKDONJSA-N 1 0 233.315 0.904 20 30 BCEDRO N#CCCN1CC[C@H]2[C@@H]1CCC[N@H+]2CCO ZINC000934255596 641113412 /nfs/dbraw/zinc/11/34/12/641113412.db2.gz SXEFRPOHVZAQPV-RYUDHWBXSA-N 1 0 223.320 0.431 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H]2[C@H]1CCCN2CCO ZINC000934265393 641115721 /nfs/dbraw/zinc/11/57/21/641115721.db2.gz YAYNFBNDLCMNEE-KGLIPLIRSA-N 1 0 236.359 0.931 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+]1CCN1CCNC1=O ZINC000934463160 641157013 /nfs/dbraw/zinc/15/70/13/641157013.db2.gz UISDRCIZRGVEFC-SNVBAGLBSA-N 1 0 209.293 0.662 20 30 BCEDRO C=CC[C@H]1CC[N@@H+]1CCN1C(=O)CNC1=O ZINC000934468222 641160854 /nfs/dbraw/zinc/16/08/54/641160854.db2.gz AIEIEILMCNRRHE-VIFPVBQESA-N 1 0 223.276 0.189 20 30 BCEDRO C#CCCCNC(=O)NC1CC[NH+](C)CC1 ZINC000173391332 641172752 /nfs/dbraw/zinc/17/27/52/641172752.db2.gz FKQMFGGHSAPFOZ-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000934509923 641175828 /nfs/dbraw/zinc/17/58/28/641175828.db2.gz SCVKGGLCCAQPDZ-VIFPVBQESA-N 1 0 223.276 0.059 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1C[C@@H](O)COCC ZINC000934512086 641180806 /nfs/dbraw/zinc/18/08/06/641180806.db2.gz DNROIZRAVASMNM-NWDGAFQWSA-N 1 0 211.305 0.872 20 30 BCEDRO C#C[C@H]1CCCC[N@@H+]1C[C@@H]1COCCO1 ZINC000934515925 641183287 /nfs/dbraw/zinc/18/32/87/641183287.db2.gz UKDGPTVNGADZHH-NWDGAFQWSA-N 1 0 209.289 0.890 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1CCc1nnnn1C ZINC000934519454 641186481 /nfs/dbraw/zinc/18/64/81/641186481.db2.gz RVWJODHXXIUBOT-JTQLQIEISA-N 1 0 219.292 0.240 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cncs2)C1 ZINC000971149812 641196517 /nfs/dbraw/zinc/19/65/17/641196517.db2.gz MMEBBLNSTPSJPJ-SNVBAGLBSA-N 1 0 249.339 0.923 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC000971159103 641198093 /nfs/dbraw/zinc/19/80/93/641198093.db2.gz YEOQRFDZLOMSCB-WDEREUQCSA-N 1 0 226.320 0.740 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C2CCOCC2)C1 ZINC001021763712 641206460 /nfs/dbraw/zinc/20/64/60/641206460.db2.gz IHHDLJRYKNZEKM-TXEJJXNPSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CCSCC[NH2+]C[C@@H](O)COCC(C)C ZINC000231949740 641219687 /nfs/dbraw/zinc/21/96/87/641219687.db2.gz BFJZOOCTSUTDHP-GFCCVEGCSA-N 1 0 245.388 0.976 20 30 BCEDRO C=CCCC[N@@H+](CC)[C@H](C)C(=O)NC(N)=O ZINC000934648522 641235092 /nfs/dbraw/zinc/23/50/92/641235092.db2.gz AXKQSKKXVCHUMW-SECBINFHSA-N 1 0 227.308 0.858 20 30 BCEDRO CSCC(C)(C)[NH2+]CC(=O)NCC#N ZINC000934672992 641241086 /nfs/dbraw/zinc/24/10/86/641241086.db2.gz CWYLCUSZIMOOLX-UHFFFAOYSA-N 1 0 215.322 0.357 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2cn(C)nn2)CC1 ZINC000992056631 641332179 /nfs/dbraw/zinc/33/21/79/641332179.db2.gz LZLUTDZFLGIQPA-UHFFFAOYSA-N 1 0 249.318 0.195 20 30 BCEDRO CC(C)C#CC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000827549642 641366303 /nfs/dbraw/zinc/36/63/03/641366303.db2.gz QJEDTCYTTBRMRO-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@H]([NH2+]CC1(C(=O)OC)CC1)[C@H]1CCCO1 ZINC000828952887 641383759 /nfs/dbraw/zinc/38/37/59/641383759.db2.gz DNAJSFCKAABJJY-WDEREUQCSA-N 1 0 237.299 0.710 20 30 BCEDRO CC#CCN1CC(NC(=O)C2CC[NH+](C)CC2)C1 ZINC001030892539 641407483 /nfs/dbraw/zinc/40/74/83/641407483.db2.gz FBAVGQSXELKPJS-UHFFFAOYSA-N 1 0 249.358 0.152 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000935463790 641413768 /nfs/dbraw/zinc/41/37/68/641413768.db2.gz SIKONQYLZSLISY-WDEREUQCSA-N 1 0 208.305 0.997 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCn2ccnc21 ZINC000913670995 641454637 /nfs/dbraw/zinc/45/46/37/641454637.db2.gz FFVAIMLWGZLXIN-UHFFFAOYSA-N 1 0 234.303 0.738 20 30 BCEDRO C#CCN(C(=O)NCC=C)C1CC[NH+](C)CC1 ZINC000913840580 641498586 /nfs/dbraw/zinc/49/85/86/641498586.db2.gz XOQYNFKOXIOOCW-UHFFFAOYSA-N 1 0 235.331 0.911 20 30 BCEDRO C=CCN1CC(NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001030953818 641517857 /nfs/dbraw/zinc/51/78/57/641517857.db2.gz KBWSCDUEZLJFQM-NSHDSACASA-N 1 0 237.347 0.457 20 30 BCEDRO C=CCN1CC(NC(=O)[C@H]2C[N@@H+](C)C[C@H]2C)C1 ZINC001030960124 641524777 /nfs/dbraw/zinc/52/47/77/641524777.db2.gz IQADBMVHTSCLQT-PWSUYJOCSA-N 1 0 237.347 0.171 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000936062986 641528274 /nfs/dbraw/zinc/52/82/74/641528274.db2.gz WPTCLFLGMRGCPW-RYUDHWBXSA-N 1 0 238.331 0.360 20 30 BCEDRO CNC(NC[C@@H](c1ccco1)N(C)C)=[NH+]C ZINC000261886159 641536727 /nfs/dbraw/zinc/53/67/27/641536727.db2.gz RYFWJNHKTYUFLA-VIFPVBQESA-N 1 0 224.308 0.677 20 30 BCEDRO C[NH+]=C(NCC(F)F)N(C)C[C@H]1CCOC1 ZINC000156096173 641593558 /nfs/dbraw/zinc/59/35/58/641593558.db2.gz OGSVETCIZUEVSC-MRVPVSSYSA-N 1 0 235.278 0.795 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[C@@H](O)CC1 ZINC000914191620 641611728 /nfs/dbraw/zinc/61/17/28/641611728.db2.gz AVTDESCNKJPPTB-TXEJJXNPSA-N 1 0 240.347 0.914 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cnco2)C1 ZINC001015444676 641690405 /nfs/dbraw/zinc/69/04/05/641690405.db2.gz UINDUNBXJZTSOC-SNVBAGLBSA-N 1 0 233.271 0.502 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)c2ccon2)[C@@H]1C ZINC000993053569 641718808 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642318265 /nfs/dbraw/zinc/31/82/65/642318265.db2.gz PNIINOZAOKHPGX-PHIMTYICSA-N 1 0 229.283 0.565 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](CC)OC)C1 ZINC000971187574 642318453 /nfs/dbraw/zinc/31/84/53/642318453.db2.gz PAYHXZOINCNEHW-VXGBXAGGSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cscn2)C1 ZINC000971190803 642320951 /nfs/dbraw/zinc/32/09/51/642320951.db2.gz JAPMJDJRZDNLOT-SNVBAGLBSA-N 1 0 249.339 0.923 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)Cc2ccon2)C1 ZINC000971242409 642328563 /nfs/dbraw/zinc/32/85/63/642328563.db2.gz QCVLKWFMEICJAT-GFCCVEGCSA-N 1 0 249.314 0.936 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnc(C)cn2)C1 ZINC001021791518 642337060 /nfs/dbraw/zinc/33/70/60/642337060.db2.gz ODFAOACCBSAYGY-PHIMTYICSA-N 1 0 246.314 0.821 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001021808367 642352365 /nfs/dbraw/zinc/35/23/65/642352365.db2.gz XOMWOLLPIOIBKT-AXFHLTTASA-N 1 0 224.304 0.588 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cn(C)cn2)C1 ZINC001031613441 642379855 /nfs/dbraw/zinc/37/98/55/642379855.db2.gz LPVWZDULKQZMJC-UHFFFAOYSA-N 1 0 248.330 0.658 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)NCCC)C1 ZINC000847017982 642384877 /nfs/dbraw/zinc/38/48/77/642384877.db2.gz GOQLIHQNCYHSGD-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C=CCOCC[N@@H+]1CCCNC(=O)[C@H]1CC ZINC000933216182 642395915 /nfs/dbraw/zinc/39/59/15/642395915.db2.gz JWGLJWWCYDPRMB-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cncnc2)C1 ZINC000971390604 642396550 /nfs/dbraw/zinc/39/65/50/642396550.db2.gz FIIMWHRMVGYOPV-LBPRGKRZSA-N 1 0 246.314 0.809 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cc(C)nn2C)C1 ZINC001021873208 642420364 /nfs/dbraw/zinc/42/03/64/642420364.db2.gz HWORTQWTUMNOAF-PHIMTYICSA-N 1 0 248.330 0.765 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000971436360 642461740 /nfs/dbraw/zinc/46/17/40/642461740.db2.gz PTHGHRNUKGOGJN-LLVKDONJSA-N 1 0 238.331 0.313 20 30 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212.293 0.094 20 30 BCEDRO C#CCC1([NH2+][C@@H]2CCC(=O)NC2=O)CCC1 ZINC000933297174 642508203 /nfs/dbraw/zinc/50/82/03/642508203.db2.gz YTDMVVYTUWXYMD-SECBINFHSA-N 1 0 220.272 0.327 20 30 BCEDRO Cc1nc(C#N)cc(N2C[C@@H](C)[NH2+][C@@H](C)C2)n1 ZINC000308234411 642518505 /nfs/dbraw/zinc/51/85/05/642518505.db2.gz DLTKCKYXTNGTBB-DTORHVGOSA-N 1 0 231.303 0.843 20 30 BCEDRO Cc1nc(C#N)cc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000308239940 642520347 /nfs/dbraw/zinc/52/03/47/642520347.db2.gz HNFRAOYXABWNPI-AOOOYVTPSA-N 1 0 229.287 0.312 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=S)NCC[NH+](C)C ZINC000920994930 642567264 /nfs/dbraw/zinc/56/72/64/642567264.db2.gz MBNNPAPILHCTSU-JTQLQIEISA-N 1 0 242.392 0.904 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000925334124 642573135 /nfs/dbraw/zinc/57/31/35/642573135.db2.gz JCWWQEZRAZAKMK-GARJFASQSA-N 1 0 223.320 0.742 20 30 BCEDRO CC(C)NC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000305015679 642632892 /nfs/dbraw/zinc/63/28/92/642632892.db2.gz LXZICIKPLKXNDS-SNVBAGLBSA-N 1 0 229.324 0.495 20 30 BCEDRO [NH2+]=C(NCC1(CO)CC1)N1CCCCCC1 ZINC000305073550 642635802 /nfs/dbraw/zinc/63/58/02/642635802.db2.gz POGIKDJHXYCJFX-UHFFFAOYSA-N 1 0 225.336 0.950 20 30 BCEDRO CCOCCC1(CNC(=[NH2+])NCCOC)CC1 ZINC000305187256 642645069 /nfs/dbraw/zinc/64/50/69/642645069.db2.gz FGRHEDHBBRLCDT-UHFFFAOYSA-N 1 0 243.351 0.744 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C)CCC1 ZINC000961483098 642691682 /nfs/dbraw/zinc/69/16/82/642691682.db2.gz ZRMHHRVYPHDEAY-GDNZZTSVSA-N 1 0 232.327 0.856 20 30 BCEDRO CN(C(=[NH2+])NC[C@@H](O)c1ccco1)C1CC1 ZINC000305796078 642694717 /nfs/dbraw/zinc/69/47/17/642694717.db2.gz ALLNTFFPARYNCA-SECBINFHSA-N 1 0 223.276 0.722 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@@H]1C ZINC000961526432 642695585 /nfs/dbraw/zinc/69/55/85/642695585.db2.gz SCLLJELXEVEJMW-KKJSVHSVSA-N 1 0 218.300 0.322 20 30 BCEDRO CC[C@@H](C)NC(=O)CCNC(=[NH2+])N(C)C1CC1 ZINC000305797997 642697422 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643001268 /nfs/dbraw/zinc/00/12/68/643001268.db2.gz SZXILMIJNGHZHA-JTQLQIEISA-N 1 0 249.339 0.889 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)OC)C1 ZINC001018578162 643001618 /nfs/dbraw/zinc/00/16/18/643001618.db2.gz DWRYAOQHTHTUKR-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC001018580408 643001730 /nfs/dbraw/zinc/00/17/30/643001730.db2.gz WJEGJVSFGHQFRF-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCOC2)C1 ZINC001018601253 643003357 /nfs/dbraw/zinc/00/33/57/643003357.db2.gz QJFLOPFZDGXGFA-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cncc(C)c2)C1 ZINC001018663678 643005368 /nfs/dbraw/zinc/00/53/68/643005368.db2.gz LSNPMBSGZPKUCD-ZDUSSCGKSA-N 1 0 243.310 0.827 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC001018875986 643013929 /nfs/dbraw/zinc/01/39/29/643013929.db2.gz MRLKLTIFLCXRSG-GVXVVHGQSA-N 1 0 236.315 0.399 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2CC(OC)C2)C1 ZINC001019012225 643015292 /nfs/dbraw/zinc/01/52/92/643015292.db2.gz YTYNZOYLJMIFGI-CXQJBGSLSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC001019079981 643020954 /nfs/dbraw/zinc/02/09/54/643020954.db2.gz QWFZIQMPTQROQY-VIFPVBQESA-N 1 0 235.291 0.185 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC001019218226 643022830 /nfs/dbraw/zinc/02/28/30/643022830.db2.gz PMFANNKWVFDYQM-JTQLQIEISA-N 1 0 232.287 0.155 20 30 BCEDRO C=C1CC(C)(C(=O)N2CC[C@H]([NH2+]CCO)C2)C1 ZINC001019352407 643031249 /nfs/dbraw/zinc/03/12/49/643031249.db2.gz QEGPXAZETOGDAF-NSHDSACASA-N 1 0 238.331 0.526 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC001019426769 643032821 /nfs/dbraw/zinc/03/28/21/643032821.db2.gz OIDWSWRWHHCHRX-LBPRGKRZSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nc(C)c[nH]2)C1 ZINC001019491130 643033610 /nfs/dbraw/zinc/03/36/10/643033610.db2.gz RINWADDLCVHXGY-JTQLQIEISA-N 1 0 232.287 0.155 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCc2cn[nH]c2)C1 ZINC001019488074 643033766 /nfs/dbraw/zinc/03/37/66/643033766.db2.gz PXPSPXOHSPHPFK-LBPRGKRZSA-N 1 0 246.314 0.166 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000281562878 643042528 /nfs/dbraw/zinc/04/25/28/643042528.db2.gz YJQXUOVTSCJLKH-MNOVXSKESA-N 1 0 222.288 0.830 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2ccon2)C1 ZINC001020030286 643051469 /nfs/dbraw/zinc/05/14/69/643051469.db2.gz FMRBEXYQSWZEAD-XYPYZODXSA-N 1 0 235.287 0.640 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(C)nc2C)C1 ZINC001020031929 643052088 /nfs/dbraw/zinc/05/20/88/643052088.db2.gz DXNSIPPIVOWGEG-XYPYZODXSA-N 1 0 248.330 0.765 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(CC)c2)C1 ZINC001020033237 643052535 /nfs/dbraw/zinc/05/25/35/643052535.db2.gz ZPXYVYMAIHHTFV-HAQNSBGRSA-N 1 0 248.330 0.939 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001020038500 643053149 /nfs/dbraw/zinc/05/31/49/643053149.db2.gz VTOPBQKFWYZQSF-IJLUTSLNSA-N 1 0 238.331 0.836 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ncoc2C)C1 ZINC001020014538 643053306 /nfs/dbraw/zinc/05/33/06/643053306.db2.gz YLQMGLDCMRYBPU-MGCOHNPYSA-N 1 0 233.271 0.467 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2n[nH]c(C)c2C)C1 ZINC001020029694 643053464 /nfs/dbraw/zinc/05/34/64/643053464.db2.gz MRLJTUWFUNJERE-XYPYZODXSA-N 1 0 246.314 0.510 20 30 BCEDRO CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC001020058804 643054572 /nfs/dbraw/zinc/05/45/72/643054572.db2.gz ZPRNBTTUPVFGCP-MGCOHNPYSA-N 1 0 232.287 0.757 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnnn2CC)C1 ZINC001020123016 643058003 /nfs/dbraw/zinc/05/80/03/643058003.db2.gz AKYNBITXZBVQAR-MGCOHNPYSA-N 1 0 249.318 0.334 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cnnn2C)C1 ZINC001020118268 643058145 /nfs/dbraw/zinc/05/81/45/643058145.db2.gz IZTPRPXCOPNMDD-MGCOHNPYSA-N 1 0 249.318 0.242 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cncnc2)C1 ZINC001020110210 643058395 /nfs/dbraw/zinc/05/83/95/643058395.db2.gz JGUNCWUXMNBYRB-HAQNSBGRSA-N 1 0 246.314 0.442 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001020132110 643060935 /nfs/dbraw/zinc/06/09/35/643060935.db2.gz BJXUFTGZXAYYNK-MGCOHNPYSA-N 1 0 234.303 0.836 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001020181366 643061603 /nfs/dbraw/zinc/06/16/03/643061603.db2.gz ANAHJGRLZUUYEY-XYPYZODXSA-N 1 0 217.272 0.498 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C2CC(OC)C2)C1 ZINC001020270318 643065583 /nfs/dbraw/zinc/06/55/83/643065583.db2.gz GASWBWRXQNGYGQ-XKVACCQBSA-N 1 0 238.331 0.834 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001020342848 643068638 /nfs/dbraw/zinc/06/86/38/643068638.db2.gz XMCJIMXQWIHSQB-KYZUINATSA-N 1 0 235.291 0.231 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC001020408743 643097830 /nfs/dbraw/zinc/09/78/30/643097830.db2.gz AARYRKGAZHELPC-BJDJZHNGSA-N 1 0 238.331 0.834 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)CC)[C@@H](C)C1 ZINC000941692368 643117159 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643148795 /nfs/dbraw/zinc/14/87/95/643148795.db2.gz PYSCNMVZTIPSAO-JTQLQIEISA-N 1 0 246.314 0.483 20 30 BCEDRO C#CCN1CC([C@H](C)NC(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC000969380330 643158736 /nfs/dbraw/zinc/15/87/36/643158736.db2.gz DBDMTJJUKXTLOL-AAEUAGOBSA-N 1 0 249.358 0.150 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC[C@@H](F)C2)C1 ZINC001020516326 643169536 /nfs/dbraw/zinc/16/95/36/643169536.db2.gz JAYIOLVJNCLGQT-USZNOCQGSA-N 1 0 238.306 0.995 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cn(C)cn2)C1 ZINC000969496318 643178337 /nfs/dbraw/zinc/17/83/37/643178337.db2.gz DHMBOJOICSVJHZ-SNVBAGLBSA-N 1 0 248.330 0.656 20 30 BCEDRO COC(C)(C)[C@@H](C)[NH2+]C[C@H](O)CC#N ZINC000932372806 643185181 /nfs/dbraw/zinc/18/51/81/643185181.db2.gz SQRIOQLBJUKHTO-RKDXNWHRSA-N 1 0 200.282 0.664 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cn(C)nn2)C1 ZINC000969585934 643194784 /nfs/dbraw/zinc/19/47/84/643194784.db2.gz WSVAZHLQHKRWRF-SECBINFHSA-N 1 0 249.318 0.051 20 30 BCEDRO C=CCn1cc(C(=O)NCC2C[NH+](CC)C2)nn1 ZINC001032035396 643204248 /nfs/dbraw/zinc/20/42/48/643204248.db2.gz XRBGVZDKNQSMSO-UHFFFAOYSA-N 1 0 249.318 0.146 20 30 BCEDRO COCCNC(=[NH2+])NCCC[C@H]1CCCCO1 ZINC000184323857 643205850 /nfs/dbraw/zinc/20/58/50/643205850.db2.gz TXYSTVIIEKLFPN-LLVKDONJSA-N 1 0 243.351 0.886 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001020598312 643224419 /nfs/dbraw/zinc/22/44/19/643224419.db2.gz OXTGYLHRBUQXEO-KKOKHZNYSA-N 1 0 238.331 0.834 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@H]2C=C)C1 ZINC001020604872 643232627 /nfs/dbraw/zinc/23/26/27/643232627.db2.gz RTSVVTGUBMHLED-LPWJVIDDSA-N 1 0 248.326 0.448 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC001032076127 643236741 /nfs/dbraw/zinc/23/67/41/643236741.db2.gz LLWZMMYWDHOJPS-ZYHUDNBSSA-N 1 0 238.331 0.645 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ocnc2CC)C1 ZINC000969885317 643240778 /nfs/dbraw/zinc/24/07/78/643240778.db2.gz XPVKEIFCPQWOPX-SNVBAGLBSA-N 1 0 247.298 0.674 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@H](C)C1 ZINC000943673129 643253361 /nfs/dbraw/zinc/25/33/61/643253361.db2.gz BDGHDXHNSUOSHL-ZJUUUORDSA-N 1 0 249.318 0.431 20 30 BCEDRO Cc1cccc2c1NC(=O)C2=NNC(N)=[NH2+] ZINC000016045249 643269272 /nfs/dbraw/zinc/26/92/72/643269272.db2.gz FABHGZGZVAZDTK-UHFFFAOYSA-N 1 0 217.232 0.784 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001020711857 643277509 /nfs/dbraw/zinc/27/75/09/643277509.db2.gz ROIOJPPSQAKLDK-MGCOHNPYSA-N 1 0 234.303 0.755 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2nccs2)C1 ZINC001020802535 643297317 /nfs/dbraw/zinc/29/73/17/643297317.db2.gz FIHZAJFOLOJLDG-KYZUINATSA-N 1 0 235.312 0.627 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ncccn2)C1 ZINC001020794673 643297938 /nfs/dbraw/zinc/29/79/38/643297938.db2.gz LXAKKAVMZRHVOP-MGCOHNPYSA-N 1 0 232.287 0.513 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@]2(C)CCOC2)C1 ZINC001020823554 643307646 /nfs/dbraw/zinc/30/76/46/643307646.db2.gz DBBBRRORUPDHIR-GVXVVHGQSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2nocc2C)C1 ZINC001020888586 643327402 /nfs/dbraw/zinc/32/74/02/643327402.db2.gz BJQRQIHASYWAJI-MGCOHNPYSA-N 1 0 233.271 0.467 20 30 BCEDRO CC[NH2+][C@H]1CN(C(=O)[C@H](C)C#N)CC1(C)C ZINC000995562436 643328786 /nfs/dbraw/zinc/32/87/86/643328786.db2.gz NUFUTTCJJPHZMV-ZJUUUORDSA-N 1 0 223.320 0.993 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@@]23CCOC3)C1 ZINC001020896199 643329059 /nfs/dbraw/zinc/32/90/59/643329059.db2.gz VKHIRCCQWHTZTQ-HKUMRIAESA-N 1 0 248.326 0.283 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2nonc2C)C1 ZINC001032225243 643355259 /nfs/dbraw/zinc/35/52/59/643355259.db2.gz BCUZFSWYWJKKPM-UHFFFAOYSA-N 1 0 248.286 0.063 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2[nH]cnc2C)C1 ZINC001032230616 643371668 /nfs/dbraw/zinc/37/16/68/643371668.db2.gz OCKLDWDUNPORFH-UHFFFAOYSA-N 1 0 248.330 0.956 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2[nH]cnc2C)C1 ZINC001032229841 643373909 /nfs/dbraw/zinc/37/39/09/643373909.db2.gz NFMYABXRTUOYBU-UHFFFAOYSA-N 1 0 248.330 0.956 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cscn2)C1 ZINC000970186713 643390859 /nfs/dbraw/zinc/39/08/59/643390859.db2.gz XWXHVCNYMVBHCR-SNVBAGLBSA-N 1 0 249.339 0.509 20 30 BCEDRO CON=Cc1ccc(C(=O)NCCC[NH3+])cc1 ZINC000255065152 643399333 /nfs/dbraw/zinc/39/93/33/643399333.db2.gz PIUQLPJDEACGJA-UHFFFAOYSA-N 1 0 235.287 0.746 20 30 BCEDRO C[S@](=O)CC[NH+]1CCC(C)(C#N)CC1 ZINC000307072197 643402705 /nfs/dbraw/zinc/40/27/05/643402705.db2.gz YESRUAMCBMZZCP-AWEZNQCLSA-N 1 0 214.334 0.991 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2nonc2C)C1 ZINC001021132765 643406615 /nfs/dbraw/zinc/40/66/15/643406615.db2.gz QKPWVQSNFLPMLR-KYZUINATSA-N 1 0 236.275 0.414 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@]2(C)CCOC2)C1 ZINC000970345898 643416966 /nfs/dbraw/zinc/41/69/66/643416966.db2.gz KXMVPEJUTLQLMV-DGCLKSJQSA-N 1 0 238.331 0.790 20 30 BCEDRO C#C[C@H](C)NC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000186096296 643440784 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/nfs/dbraw/zinc/50/40/73/643504073.db2.gz SJYUGJPNOLFHDQ-UHFFFAOYSA-N 1 0 249.318 0.575 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccn2CC)C1 ZINC000970722092 643518392 /nfs/dbraw/zinc/51/83/92/643518392.db2.gz VCQWRUZLSPRBIW-GFCCVEGCSA-N 1 0 245.326 0.945 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2ccc[nH]2)C1 ZINC000970758591 643534689 /nfs/dbraw/zinc/53/46/89/643534689.db2.gz AMQQIAXFEVANBS-GFCCVEGCSA-N 1 0 231.299 0.381 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ccnnc2)CC1 ZINC000997041992 643575228 /nfs/dbraw/zinc/57/52/28/643575228.db2.gz LZWSPKKFXVVTAH-UHFFFAOYSA-N 1 0 244.298 0.304 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2nccs2)CC1 ZINC000997110527 643583281 /nfs/dbraw/zinc/58/32/81/643583281.db2.gz GORWGNVYJILLDL-UHFFFAOYSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000299893883 643601186 /nfs/dbraw/zinc/60/11/86/643601186.db2.gz PZFOKVAGJNKYQB-GHMZBOCLSA-N 1 0 224.304 0.093 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C2CC2)C1 ZINC000970924382 643620010 /nfs/dbraw/zinc/62/00/10/643620010.db2.gz OGWDABJEHOAQEK-NSHDSACASA-N 1 0 206.289 0.562 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC000970943066 643632163 /nfs/dbraw/zinc/63/21/63/643632163.db2.gz WIHBWRIBNUNMTE-VIFPVBQESA-N 1 0 230.258 0.808 20 30 BCEDRO CC[NH2+]CC1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000997615996 643647021 /nfs/dbraw/zinc/64/70/21/643647021.db2.gz YKLRCSHXUIXZSN-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnccn2)C1 ZINC000970993741 643653774 /nfs/dbraw/zinc/65/37/74/643653774.db2.gz KTUIVDFPMMMBKE-NSHDSACASA-N 1 0 244.298 0.256 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)C(F)F)C1 ZINC000998326770 643698594 /nfs/dbraw/zinc/69/85/94/643698594.db2.gz CSXYDGZXUBTPDZ-MRVPVSSYSA-N 1 0 216.231 0.465 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC000998527824 643711095 /nfs/dbraw/zinc/71/10/95/643711095.db2.gz VSKRFBQZCOWLTE-GFCCVEGCSA-N 1 0 248.330 0.650 20 30 BCEDRO C#CCNC(=O)C[N@H+](CCOC)CC(C)C ZINC000073616965 643711923 /nfs/dbraw/zinc/71/19/23/643711923.db2.gz PAWMTUKWTCAGTL-UHFFFAOYSA-N 1 0 226.320 0.340 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)C(C)C)C1 ZINC000998556299 643712781 /nfs/dbraw/zinc/71/27/81/643712781.db2.gz VWPXXPHUQSWZPX-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC000998589517 643714920 /nfs/dbraw/zinc/71/49/20/643714920.db2.gz VCLNPEIHROMHKC-JTQLQIEISA-N 1 0 232.287 0.237 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC000998647249 643715595 /nfs/dbraw/zinc/71/55/95/643715595.db2.gz KVEVSIOBRWHOHI-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cncs2)C1 ZINC000998657235 643716912 /nfs/dbraw/zinc/71/69/12/643716912.db2.gz QCIYUVNWBGTDET-JTQLQIEISA-N 1 0 249.339 0.971 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)[C@H]2CCOC2)C1 ZINC000998689907 643718328 /nfs/dbraw/zinc/71/83/28/643718328.db2.gz QIUYZKWQMQYBRP-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC000998753282 643721492 /nfs/dbraw/zinc/72/14/92/643721492.db2.gz KSQZVBRIWDWPBU-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ccn(C)c2)C1 ZINC000998913612 643726561 /nfs/dbraw/zinc/72/65/61/643726561.db2.gz GGTLHUCDQBXWJG-ZDUSSCGKSA-N 1 0 245.326 0.853 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000999055049 643728108 /nfs/dbraw/zinc/72/81/08/643728108.db2.gz QPXHOBIVUYJUPG-NSHDSACASA-N 1 0 240.347 0.914 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2coc(C)n2)C1 ZINC000998999528 643728501 /nfs/dbraw/zinc/72/85/01/643728501.db2.gz LSODYSALAQANBW-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2n[nH]cc2C)C1 ZINC000999136753 643729970 /nfs/dbraw/zinc/72/99/70/643729970.db2.gz ZTXZGWMSVKWXLW-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cc(F)c[nH]2)C1 ZINC000999129971 643730317 /nfs/dbraw/zinc/73/03/17/643730317.db2.gz YZCHDVCXWMYCNB-UHFFFAOYSA-N 1 0 249.289 0.980 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ccsn2)C1 ZINC000999454201 643735966 /nfs/dbraw/zinc/73/59/66/643735966.db2.gz MMWDNGZBJWHZCQ-JTQLQIEISA-N 1 0 249.339 0.971 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2nc[nH]n2)C1 ZINC000999574537 643737631 /nfs/dbraw/zinc/73/76/31/643737631.db2.gz ARMDEPLCCSXFID-UHFFFAOYSA-N 1 0 235.291 0.183 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cccnn2)C1 ZINC000999596467 643738095 /nfs/dbraw/zinc/73/80/95/643738095.db2.gz XETSHYABLGBAFG-UHFFFAOYSA-N 1 0 244.298 0.302 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCCN(C(=O)c2cn[nH]n2)C1 ZINC000999580843 643738342 /nfs/dbraw/zinc/73/83/42/643738342.db2.gz PPSAIJBESGWRII-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2c[nH]nc2C)C1 ZINC000999852526 643740826 /nfs/dbraw/zinc/74/08/26/643740826.db2.gz MKTRNBURTCUVDN-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ccn(C)n2)C1 ZINC000999836167 643742108 /nfs/dbraw/zinc/74/21/08/643742108.db2.gz IEALXPBDILUFSH-UHFFFAOYSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@@H](F)CC)C1 ZINC000999908740 643744081 /nfs/dbraw/zinc/74/40/81/643744081.db2.gz AJOBMAICJDUGLN-MNOVXSKESA-N 1 0 226.295 0.948 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)Cn2ccnc2)C1 ZINC000999911861 643744280 /nfs/dbraw/zinc/74/42/80/643744280.db2.gz CNJITCXCZORAIU-UHFFFAOYSA-N 1 0 246.314 0.095 20 30 BCEDRO CC1(C)CC[N@H+](CCNC(=O)CC#N)C1 ZINC000890072497 643771654 /nfs/dbraw/zinc/77/16/54/643771654.db2.gz PCSIWZKFGBRIJE-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cc2ccc[nH]2)C1 ZINC001000965078 643800841 /nfs/dbraw/zinc/80/08/41/643800841.db2.gz QREXOECIIHEHRK-CYBMUJFWSA-N 1 0 245.326 0.771 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)NCC(C)(C)C#N ZINC000921888150 643817321 /nfs/dbraw/zinc/81/73/21/643817321.db2.gz NYWJDMNVRHRYBZ-SECBINFHSA-N 1 0 224.308 0.539 20 30 BCEDRO C[NH+](C)C1(CNC(=O)NCC(C)(C)C#N)CC1 ZINC000921891258 643818778 /nfs/dbraw/zinc/81/87/78/643818778.db2.gz ZVIFMNUNEBGDJL-UHFFFAOYSA-N 1 0 238.335 0.930 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cc(C)nn1C ZINC000320734995 643820289 /nfs/dbraw/zinc/82/02/89/643820289.db2.gz LBUGEINJGYNGLK-SNVBAGLBSA-N 1 0 209.293 0.755 20 30 BCEDRO C#CCN(C(=O)NOCC)C1CC[NH+](C)CC1 ZINC000922039435 643851874 /nfs/dbraw/zinc/85/18/74/643851874.db2.gz RLJNLYVTKCAKTF-UHFFFAOYSA-N 1 0 239.319 0.677 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)C#CC1CC1 ZINC000922155634 643876198 /nfs/dbraw/zinc/87/61/98/643876198.db2.gz DGAAJFRDZLUHNE-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)Cc2cnoc2)CC1 ZINC001003481951 643897283 /nfs/dbraw/zinc/89/72/83/643897283.db2.gz NNNJAHRORQBPAP-UHFFFAOYSA-N 1 0 247.298 0.431 20 30 BCEDRO C[NH+](C)C1(CNC(=O)NCCC#N)CC1 ZINC000922228036 643910205 /nfs/dbraw/zinc/91/02/05/643910205.db2.gz BJRDKKLPKCKMOF-UHFFFAOYSA-N 1 0 210.281 0.293 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CC=C[C@@H]2CO)CC1 ZINC000922268943 643938329 /nfs/dbraw/zinc/93/83/29/643938329.db2.gz ZPBBSHVWNJSEEX-CYBMUJFWSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cnn(CCF)c1 ZINC000922299736 643959280 /nfs/dbraw/zinc/95/92/80/643959280.db2.gz QXHZMGIPVCXXHM-LBPRGKRZSA-N 1 0 239.294 0.981 20 30 BCEDRO C=CC[N@H+](C[C@H](O)C[C@@]1(O)CCOC1)C(C)C ZINC000929291681 643962356 /nfs/dbraw/zinc/96/23/56/643962356.db2.gz ABWUUZNJDQLCKF-OLZOCXBDSA-N 1 0 243.347 0.785 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)COC ZINC000922357269 643979995 /nfs/dbraw/zinc/97/99/95/643979995.db2.gz ZESJGTGUWYQQIJ-VIFPVBQESA-N 1 0 200.282 0.255 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H]1CC[N@@H+]1C)C(C)C ZINC000922520263 644011017 /nfs/dbraw/zinc/01/10/17/644011017.db2.gz KXHJUQKIOZFQQH-QWRGUYRKSA-N 1 0 223.320 0.648 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@@H]2COC[C@@H]2C)nn1 ZINC000922641243 644056198 /nfs/dbraw/zinc/05/61/98/644056198.db2.gz YYSGOVXPWCDPLA-CMPLNLGQSA-N 1 0 236.319 0.979 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H]2COC[C@H]2C)nn1 ZINC000922641245 644056814 /nfs/dbraw/zinc/05/68/14/644056814.db2.gz YYSGOVXPWCDPLA-PWSUYJOCSA-N 1 0 236.319 0.979 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C[NH+]1CCCC1 ZINC000922738065 644080019 /nfs/dbraw/zinc/08/00/19/644080019.db2.gz PYLQBWQFSRTANV-NSHDSACASA-N 1 0 226.320 0.526 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)NCC(C)(C)CC#N ZINC000922835454 644113687 /nfs/dbraw/zinc/11/36/87/644113687.db2.gz FTMIYFAYTQMZJL-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCC(C)(C)O1 ZINC000186888882 644151891 /nfs/dbraw/zinc/15/18/91/644151891.db2.gz LVQUCLYNEDUVDR-UWVGGRQHSA-N 1 0 243.351 0.883 20 30 BCEDRO C#C[C@H](C)NC(NCc1ccco1)=[NH+]C ZINC000186887721 644152301 /nfs/dbraw/zinc/15/23/01/644152301.db2.gz ZZRSCJOIAVAUFY-VIFPVBQESA-N 1 0 205.261 0.966 20 30 BCEDRO CCNC(NCC(=O)N(C)CC)=[NH+]CC ZINC000186889370 644153865 /nfs/dbraw/zinc/15/38/65/644153865.db2.gz LSIQHTZGEUSMMM-UHFFFAOYSA-N 1 0 214.313 0.040 20 30 BCEDRO CCN(C)C(=O)CNC(=[NH2+])NCC(C)C ZINC000187052971 644202912 /nfs/dbraw/zinc/20/29/12/644202912.db2.gz MJCQMNSEPPKHIP-UHFFFAOYSA-N 1 0 214.313 0.025 20 30 BCEDRO CCCCNC(=[NH2+])NCCCCCO ZINC000193019871 644208863 /nfs/dbraw/zinc/20/88/63/644208863.db2.gz RWQHYRWRFBBQAK-UHFFFAOYSA-N 1 0 201.314 0.853 20 30 BCEDRO C#CCN(C(=O)NCC1([NH+](C)C)CC1)C1CC1 ZINC000922987855 644216094 /nfs/dbraw/zinc/21/60/94/644216094.db2.gz KRATWJXBMLYPSF-UHFFFAOYSA-N 1 0 235.331 0.888 20 30 BCEDRO C=CCNC(=[NH2+])NCCCOC(F)F ZINC000193240991 644225728 /nfs/dbraw/zinc/22/57/28/644225728.db2.gz GWTMQMYFFYXSLS-UHFFFAOYSA-N 1 0 207.224 0.706 20 30 BCEDRO C=C[C@H](C)ONC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000923086590 644261325 /nfs/dbraw/zinc/26/13/25/644261325.db2.gz NELLKEJVPKSFHO-AEJSXWLSSA-N 1 0 227.308 0.884 20 30 BCEDRO C=C[C@H](C)ONC(=O)NC[C@H]1CC[N@@H+]1C ZINC000923086903 644264706 /nfs/dbraw/zinc/26/47/06/644264706.db2.gz RCUZDAKKAMOXBQ-DTWKUNHWSA-N 1 0 213.281 0.496 20 30 BCEDRO CC[C@@H](CO)NC(NCc1ccco1)=[NH+]C ZINC000187120259 644287806 /nfs/dbraw/zinc/28/78/06/644287806.db2.gz ASKSNYGXNOXKOH-VIFPVBQESA-N 1 0 225.292 0.716 20 30 BCEDRO C=CCCNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000923222848 644292570 /nfs/dbraw/zinc/29/25/70/644292570.db2.gz PUKARJKFSWIWAB-VHSXEESVSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCC[C@H](O)CN1CCC[C@@H]([NH2+]C)C1 ZINC000923282199 644316026 /nfs/dbraw/zinc/31/60/26/644316026.db2.gz SQLQPTQCOMUQBN-NEPJUHHUSA-N 1 0 212.337 0.997 20 30 BCEDRO CCOC(C)(C)CNC(=[NH2+])N[C@H](C)COC ZINC000187143685 644340166 /nfs/dbraw/zinc/34/01/66/644340166.db2.gz JJDLNWDHVWZDJP-SECBINFHSA-N 1 0 231.340 0.741 20 30 BCEDRO C=CCC[C@@H](O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000923331162 644348804 /nfs/dbraw/zinc/34/88/04/644348804.db2.gz CMDWXTOUBPVYHI-GRYCIOLGSA-N 1 0 212.337 0.996 20 30 BCEDRO C#CC[NH2+]CC(=O)N(CCC)CC1CC1 ZINC000082343967 644369010 /nfs/dbraw/zinc/36/90/10/644369010.db2.gz DIQKULCRZBXZFG-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=CCC[C@H](O)CN1CC[NH2+]C[C@H]1C(F)F ZINC000923351831 644370339 /nfs/dbraw/zinc/37/03/39/644370339.db2.gz CCLICVBVPLRORE-UWVGGRQHSA-N 1 0 234.290 0.852 20 30 BCEDRO C=CCC[C@@H](O)CN1CCC[C@H]([NH2+]CCO)C1 ZINC000923408234 644409951 /nfs/dbraw/zinc/40/99/51/644409951.db2.gz CTJKVVBWUZEIKH-QWHCGFSZSA-N 1 0 242.363 0.360 20 30 BCEDRO CNC(NCc1cn(-c2ccccc2)nn1)=[NH+]C ZINC000086999442 644441867 /nfs/dbraw/zinc/44/18/67/644441867.db2.gz UGLLKPXWNIGXEQ-UHFFFAOYSA-N 1 0 244.302 0.562 20 30 BCEDRO N#Cc1ccccc1CN1CCC[C@@]([NH3+])(CO)C1 ZINC000923474350 644451270 /nfs/dbraw/zinc/45/12/70/644451270.db2.gz GROOPXZEKYWCIZ-AWEZNQCLSA-N 1 0 245.326 0.844 20 30 BCEDRO N#Cc1ccc(CN2CCC[C@@]([NH3+])(CO)C2)o1 ZINC000923473887 644451632 /nfs/dbraw/zinc/45/16/32/644451632.db2.gz OYXFEGHQEGYTRQ-LBPRGKRZSA-N 1 0 235.287 0.437 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc([S@](C)=O)cc1 ZINC000746366576 644583886 /nfs/dbraw/zinc/58/38/86/644583886.db2.gz BJBFRWSIPLQSQC-INIZCTEOSA-N 1 0 238.316 0.631 20 30 BCEDRO C#CCNC(=S)N[C@H](C)CC[NH+](C)C ZINC000758216821 644635971 /nfs/dbraw/zinc/63/59/71/644635971.db2.gz JIYLICNJQDFRJJ-SECBINFHSA-N 1 0 213.350 0.424 20 30 BCEDRO C#CCNC(=S)N[C@H](C)C[NH+](CC)CC ZINC000758217659 644636058 /nfs/dbraw/zinc/63/60/58/644636058.db2.gz NUEBXEYVYJGOSB-SNVBAGLBSA-N 1 0 227.377 0.814 20 30 BCEDRO C#CCNC(=S)NCC1CC[NH+](CC)CC1 ZINC000758217268 644636269 /nfs/dbraw/zinc/63/62/69/644636269.db2.gz LVPBLCMIIXULDW-UHFFFAOYSA-N 1 0 239.388 0.816 20 30 BCEDRO C#CCN(C(=O)[C@@H]1C[N@@H+]2CCN1CCC2)C1CC1 ZINC000764446833 644657981 /nfs/dbraw/zinc/65/79/81/644657981.db2.gz NMIATJFHNHISJU-ZDUSSCGKSA-N 1 0 247.342 0.001 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccccc2O)N1 ZINC000779797983 644714988 /nfs/dbraw/zinc/71/49/88/644714988.db2.gz MCQADBVDLXBPMG-QMMMGPOBSA-N 1 0 218.260 0.663 20 30 BCEDRO CC(C)N1CC(=NNC2=[NH+][C@H](C)CN2)[C@H](C)C1 ZINC000779797731 644715783 /nfs/dbraw/zinc/71/57/83/644715783.db2.gz IQZVYJQCSPGTTE-NXEZZACHSA-N 1 0 237.351 0.640 20 30 BCEDRO CCn1cc(C=NNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000779804929 644717791 /nfs/dbraw/zinc/71/77/91/644717791.db2.gz HURSNVVZSTTZQK-MRVPVSSYSA-N 1 0 220.280 0.174 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CO)c1ccccc1C ZINC000782081229 644738568 /nfs/dbraw/zinc/73/85/68/644738568.db2.gz JBAXKVMGNAZDLX-ZDUSSCGKSA-N 1 0 246.310 0.367 20 30 BCEDRO CC#CCN1CCN(C(=O)[C@@H]2CC[N@H+](C)C2)CC1 ZINC000957649863 644745209 /nfs/dbraw/zinc/74/52/09/644745209.db2.gz UAGFSMYZZFVENR-CYBMUJFWSA-N 1 0 249.358 0.106 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1nccnc1C ZINC000783232714 644750639 /nfs/dbraw/zinc/75/06/39/644750639.db2.gz WGPMQPUUZKCYKA-JTQLQIEISA-N 1 0 246.314 0.575 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957798095 644753520 /nfs/dbraw/zinc/75/35/20/644753520.db2.gz QELGRGFAGWOZOK-NWDGAFQWSA-N 1 0 238.331 0.381 20 30 BCEDRO C=CC[N@@H+]1C[C@@H](CNC(=O)c2ccc[nH]2)[C@H](O)C1 ZINC000957863944 644758320 /nfs/dbraw/zinc/75/83/20/644758320.db2.gz NXFSIGJRKVEHGO-ZYHUDNBSSA-N 1 0 249.314 0.223 20 30 BCEDRO C#CCNC(=O)CN1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000805767861 644764565 /nfs/dbraw/zinc/76/45/65/644764565.db2.gz IBHUPABETBAXKF-CHWSQXEVSA-N 1 0 249.358 0.294 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC1 ZINC000958010230 644769469 /nfs/dbraw/zinc/76/94/69/644769469.db2.gz ZHCBXPFWSMDIBI-URLYPYJESA-N 1 0 206.289 0.629 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(F)F ZINC000958067114 644774479 /nfs/dbraw/zinc/77/44/79/644774479.db2.gz NFXPQPYUFKORBV-MYJAWHEDSA-N 1 0 242.269 0.711 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 ZINC000958158568 644778802 /nfs/dbraw/zinc/77/88/02/644778802.db2.gz XABDPRQRWPFNPH-XQHKEYJVSA-N 1 0 248.326 0.235 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1CCCO1 ZINC000958271676 644785508 /nfs/dbraw/zinc/78/55/08/644785508.db2.gz AJUDFLQGUJVJGJ-NMKXLXIOSA-N 1 0 248.326 0.235 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc(C)n[nH]1 ZINC000958323923 644789904 /nfs/dbraw/zinc/78/99/04/644789904.db2.gz MJUOYZKPSRJCKN-IAZYJMLFSA-N 1 0 246.314 0.564 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncoc1C ZINC000958351744 644791107 /nfs/dbraw/zinc/79/11/07/644791107.db2.gz FJOJVDMUKIPJMO-IAZYJMLFSA-N 1 0 247.298 0.829 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC000958360328 644791206 /nfs/dbraw/zinc/79/12/06/644791206.db2.gz JNOSHJSYDGNDII-WUHRBBMRSA-N 1 0 248.326 0.093 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCOC1 ZINC000958361004 644791666 /nfs/dbraw/zinc/79/16/66/644791666.db2.gz NNFRDRWDYQTOFR-WUHRBBMRSA-N 1 0 248.326 0.093 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccon1 ZINC000958401040 644793783 /nfs/dbraw/zinc/79/37/83/644793783.db2.gz FCHHXMSRYLFIDO-PJXYFTJBSA-N 1 0 247.298 0.450 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000303252226 644811631 /nfs/dbraw/zinc/81/16/31/644811631.db2.gz BJZKMZFMKJVYQK-UHFFFAOYSA-N 1 0 232.287 0.376 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000303259518 644813484 /nfs/dbraw/zinc/81/34/84/644813484.db2.gz MGLRVKXKACHSAH-VIFPVBQESA-N 1 0 248.330 0.988 20 30 BCEDRO C=CCNC(=[NH2+])NCCCCOCCOC ZINC000303261223 644813590 /nfs/dbraw/zinc/81/35/90/644813590.db2.gz ODIYNZLUXZBRAI-UHFFFAOYSA-N 1 0 229.324 0.520 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cn2ccccc2n1 ZINC000303262721 644813685 /nfs/dbraw/zinc/81/36/85/644813685.db2.gz QCYQUPJQCSHLHE-UHFFFAOYSA-N 1 0 229.287 0.925 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C)n1 ZINC000958624815 644816611 /nfs/dbraw/zinc/81/66/11/644816611.db2.gz FHYWYUDOPAGDDR-IAZYJMLFSA-N 1 0 247.298 0.829 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC000958795666 644827388 /nfs/dbraw/zinc/82/73/88/644827388.db2.gz LZAOUQIDFXCGSU-URLYPYJESA-N 1 0 246.314 0.646 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(F)F ZINC000958800773 644828828 /nfs/dbraw/zinc/82/88/28/644828828.db2.gz KIMDBZHGKWWPDV-QCLAVDOMSA-N 1 0 242.269 0.874 20 30 BCEDRO CC#CC(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000801144079 644838182 /nfs/dbraw/zinc/83/81/82/644838182.db2.gz YITBEKLQCDKIEC-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000303696815 644839162 /nfs/dbraw/zinc/83/91/62/644839162.db2.gz FHUHUKPALRQZFN-QWRGUYRKSA-N 1 0 242.367 0.410 20 30 BCEDRO CC#CC(=O)N1CCN([C@H]2CCC[N@H+](C)C2)CC1 ZINC000801157108 644839868 /nfs/dbraw/zinc/83/98/68/644839868.db2.gz RGWCIWFLWCCBLA-ZDUSSCGKSA-N 1 0 249.358 0.248 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCN1CCOCC1 ZINC000303717159 644840297 /nfs/dbraw/zinc/84/02/97/644840297.db2.gz TYPTTWBIKAZGAU-UHFFFAOYSA-N 1 0 242.367 0.269 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCCC(C)C ZINC000303709792 644840357 /nfs/dbraw/zinc/84/03/57/644840357.db2.gz OAOSYRBSPQOPPG-VIFPVBQESA-N 1 0 201.314 0.972 20 30 BCEDRO CCCNC(=O)CNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000303772194 644844645 /nfs/dbraw/zinc/84/46/45/644844645.db2.gz DIFRLQNSXISBKA-SNVBAGLBSA-N 1 0 240.351 0.559 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCNC(=O)C1CC1 ZINC000303770676 644844697 /nfs/dbraw/zinc/84/46/97/644844697.db2.gz CASMIEBTZGQEAQ-UHFFFAOYSA-N 1 0 240.351 0.463 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCC(=O)NC1CC1 ZINC000303790349 644845618 /nfs/dbraw/zinc/84/56/18/644845618.db2.gz WCBUMASUUZZABS-UHFFFAOYSA-N 1 0 226.324 0.215 20 30 BCEDRO CCNC(=[NH2+])NCCCOC[C@@H]1CCCO1 ZINC000303778910 644845861 /nfs/dbraw/zinc/84/58/61/644845861.db2.gz KBSVWCXZXQCYOG-JTQLQIEISA-N 1 0 229.324 0.496 20 30 BCEDRO CC(C)CNC(=[NH2+])NCCNC(=O)C(C)C ZINC000303781047 644846405 /nfs/dbraw/zinc/84/64/05/644846405.db2.gz LYRCDDGNYOYYQB-UHFFFAOYSA-N 1 0 228.340 0.319 20 30 BCEDRO CCCCNC(=[NH2+])NCCC(=O)N(C)C ZINC000303867170 644851157 /nfs/dbraw/zinc/85/11/57/644851157.db2.gz CSLMAQPWUSKJNZ-UHFFFAOYSA-N 1 0 214.313 0.169 20 30 BCEDRO CCOCCCCNC(=[NH2+])N[C@H](C)COC ZINC000303878109 644852197 /nfs/dbraw/zinc/85/21/97/644852197.db2.gz FTNYMMQLJSZSNJ-SNVBAGLBSA-N 1 0 231.340 0.742 20 30 BCEDRO CCCCCCNC(=[NH2+])NCCS(C)(=O)=O ZINC000303898843 644856104 /nfs/dbraw/zinc/85/61/04/644856104.db2.gz RGWKKOOAWBHJRD-UHFFFAOYSA-N 1 0 249.380 0.516 20 30 BCEDRO CCCCCCNC(=[NH2+])NCc1nncn1C ZINC000303906518 644856576 /nfs/dbraw/zinc/85/65/76/644856576.db2.gz WEAXKDKDPOSIFF-UHFFFAOYSA-N 1 0 238.339 0.800 20 30 BCEDRO CNC(NCc1cc(OC)ccc1O)=[NH+]C ZINC000304141025 644871513 /nfs/dbraw/zinc/87/15/13/644871513.db2.gz VALGJFFGHSXZQY-UHFFFAOYSA-N 1 0 223.276 0.696 20 30 BCEDRO COCCNC(=[NH2+])NCCOc1cccnc1 ZINC000304120824 644872049 /nfs/dbraw/zinc/87/20/49/644872049.db2.gz KUJFOATZHDHLQF-UHFFFAOYSA-N 1 0 238.291 0.011 20 30 BCEDRO C[C@@H](C#N)OCCN1CCC([NH+](C)C)CC1 ZINC000304263513 644883626 /nfs/dbraw/zinc/88/36/26/644883626.db2.gz UIPDZYVEAXHQRO-NSHDSACASA-N 1 0 225.336 0.941 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000304260470 644883866 /nfs/dbraw/zinc/88/38/66/644883866.db2.gz ATAJNWZHJWMKOC-UWVGGRQHSA-N 1 0 222.292 0.999 20 30 BCEDRO CNC(=[NH2+])NCc1nccn1CC(C)C ZINC000304316405 644889572 /nfs/dbraw/zinc/88/95/72/644889572.db2.gz OPEWIFIJDDBXDJ-UHFFFAOYSA-N 1 0 209.297 0.573 20 30 BCEDRO COC(=O)[C@H](C)C[N@H+](C)C[C@H](O)CC#N ZINC000809572938 644892503 /nfs/dbraw/zinc/89/25/03/644892503.db2.gz WOVRKYGZZLMYHE-RKDXNWHRSA-N 1 0 214.265 0.002 20 30 BCEDRO C=CCNC(=[NH2+])NCCCOC[C@H]1CCOC1 ZINC000304355894 644894684 /nfs/dbraw/zinc/89/46/84/644894684.db2.gz NQYDRGRYQPJWCU-LLVKDONJSA-N 1 0 241.335 0.520 20 30 BCEDRO C=CCNC(=[NH2+])NCCCOC[C@@H]1CCOC1 ZINC000304355898 644895526 /nfs/dbraw/zinc/89/55/26/644895526.db2.gz NQYDRGRYQPJWCU-NSHDSACASA-N 1 0 241.335 0.520 20 30 BCEDRO [NH2+]=C(NCc1ccon1)N1CCSCC1 ZINC000304467644 644908915 /nfs/dbraw/zinc/90/89/15/644908915.db2.gz CCQQQDLWNDVQGD-UHFFFAOYSA-N 1 0 226.305 0.538 20 30 BCEDRO CN(C)c1nc(CNC(=[NH2+])NC2CC2)cs1 ZINC000304536296 644916053 /nfs/dbraw/zinc/91/60/53/644916053.db2.gz PEGZREODKJKEQC-UHFFFAOYSA-N 1 0 239.348 0.776 20 30 BCEDRO CC1CCN(C(=[NH2+])NCC2(CO)CC2)CC1 ZINC000304558802 644917577 /nfs/dbraw/zinc/91/75/77/644917577.db2.gz XGTFHIZOGSIDHE-UHFFFAOYSA-N 1 0 225.336 0.806 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCCSC ZINC000304685905 644924687 /nfs/dbraw/zinc/92/46/87/644924687.db2.gz AVRLKSYXMCRXRX-MRVPVSSYSA-N 1 0 219.354 0.679 20 30 BCEDRO C[N@H+](CC(=O)NCCC#N)[C@@H]1CCCC[C@H]1O ZINC000252929835 644924751 /nfs/dbraw/zinc/92/47/51/644924751.db2.gz SUMAQMYJYKOPIL-GHMZBOCLSA-N 1 0 239.319 0.252 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC(C)(C)S(C)(=O)=O ZINC000304719044 644927433 /nfs/dbraw/zinc/92/74/33/644927433.db2.gz OARKWSACODUTOR-MRVPVSSYSA-N 1 0 249.380 0.512 20 30 BCEDRO CCCNC(=[NH2+])NCC[S@@](=O)C(C)(C)C ZINC000304747600 644929943 /nfs/dbraw/zinc/92/99/43/644929943.db2.gz GNUATPOBAFAFPC-OAHLLOKOSA-N 1 0 233.381 0.848 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC(C)(C)OC ZINC000304761516 644930788 /nfs/dbraw/zinc/93/07/88/644930788.db2.gz ULNUAGUGUSDRTN-QMMMGPOBSA-N 1 0 217.313 0.351 20 30 BCEDRO CCOCCCNC(=[NH2+])NC[C@H]1CCC[C@@H]1O ZINC000304765537 644932346 /nfs/dbraw/zinc/93/23/46/644932346.db2.gz ZKDPLXAJNAVLMA-MNOVXSKESA-N 1 0 243.351 0.478 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CC(C#N)C2)CCC1 ZINC000817559161 644988482 /nfs/dbraw/zinc/98/84/82/644988482.db2.gz YBCOWBVADIHRON-UHFFFAOYSA-N 1 0 207.277 0.453 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CC(=O)NC(=O)NC)C1 ZINC000829773331 645110867 /nfs/dbraw/zinc/11/08/67/645110867.db2.gz DCGLUGLRVIBMNK-JTQLQIEISA-N 1 0 237.303 0.177 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](CCS(N)(=O)=O)C1 ZINC000829784195 645111396 /nfs/dbraw/zinc/11/13/96/645111396.db2.gz HEKYUMVIMDTBLY-JTQLQIEISA-N 1 0 230.333 0.010 20 30 BCEDRO CCC(=O)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000829998849 645112848 /nfs/dbraw/zinc/11/28/48/645112848.db2.gz SFWFBEBAKYHNHU-LLVKDONJSA-N 1 0 210.277 0.706 20 30 BCEDRO C#CC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000830316251 645118710 /nfs/dbraw/zinc/11/87/10/645118710.db2.gz KIFWWPYCLVLWPW-UHFFFAOYSA-N 1 0 206.289 0.564 20 30 BCEDRO CC(C)c1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)[nH]n1 ZINC000834521465 645142526 /nfs/dbraw/zinc/14/25/26/645142526.db2.gz JQKOIEFFUHRWIU-KWQFWETISA-N 1 0 247.302 0.374 20 30 BCEDRO CC(C)COCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834521595 645142698 /nfs/dbraw/zinc/14/26/98/645142698.db2.gz NTTIZIJWWFCGLZ-GHMZBOCLSA-N 1 0 239.319 0.277 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1ccncc1 ZINC000834521217 645143026 /nfs/dbraw/zinc/14/30/26/645143026.db2.gz DYFABRGUCJXGPZ-VXGBXAGGSA-N 1 0 244.298 0.242 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000834522108 645143695 /nfs/dbraw/zinc/14/36/95/645143695.db2.gz GDAXLZRGVPVXDC-LLVKDONJSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CCOCCC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000834526305 645144485 /nfs/dbraw/zinc/14/44/85/645144485.db2.gz MPUQHACIQBLRFQ-UHFFFAOYSA-N 1 0 236.315 0.190 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)NC1CCCCC1 ZINC000841507071 645218477 /nfs/dbraw/zinc/21/84/77/645218477.db2.gz QKRZCRSWMSJPHV-ONGXEEELSA-N 1 0 236.319 0.730 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)CCC(C)C ZINC000843078740 645262032 /nfs/dbraw/zinc/26/20/32/645262032.db2.gz WFMYIZZONUUJHV-NEPJUHHUSA-N 1 0 213.321 0.757 20 30 BCEDRO C=C(CC)C[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000926550490 645273273 /nfs/dbraw/zinc/27/32/73/645273273.db2.gz MJVLJKJAKQTXQW-LLVKDONJSA-N 1 0 238.331 0.837 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2CO[C@H](C)[C@H]2C)nn1 ZINC000926611439 645313901 /nfs/dbraw/zinc/31/39/01/645313901.db2.gz MIXXNVBNGIAIDI-CKYFFXLPSA-N 1 0 236.319 0.977 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2CO[C@@H](C)[C@H]2C)nn1 ZINC000926611442 645314850 /nfs/dbraw/zinc/31/48/50/645314850.db2.gz MIXXNVBNGIAIDI-JFGNBEQYSA-N 1 0 236.319 0.977 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1cccc(OC)c1 ZINC000105964370 645369114 /nfs/dbraw/zinc/36/91/14/645369114.db2.gz ZMXFITQOHIVGQT-UHFFFAOYSA-N 1 0 232.283 0.534 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccncc1OC ZINC000847002857 645414485 /nfs/dbraw/zinc/41/44/85/645414485.db2.gz TVCLVUVONHVOIU-UHFFFAOYSA-N 1 0 249.314 0.824 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC000847020152 645416764 /nfs/dbraw/zinc/41/67/64/645416764.db2.gz WJUFFBFPVZADBV-LLVKDONJSA-N 1 0 221.304 0.357 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)COCC)C1 ZINC000847028054 645420233 /nfs/dbraw/zinc/42/02/33/645420233.db2.gz XGTKHZDTRMNQCD-NWDGAFQWSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](C#C)C1 ZINC000847031725 645421940 /nfs/dbraw/zinc/42/19/40/645421940.db2.gz UMFXVMYXIPITJZ-NEPJUHHUSA-N 1 0 218.300 0.470 20 30 BCEDRO C[C@@H]1[C@@H]([NH+]2CCN(CCC#N)CC2)CO[C@H]1C ZINC000926808445 645440620 /nfs/dbraw/zinc/44/06/20/645440620.db2.gz QHOPEVOGSVSYFR-AVGNSLFASA-N 1 0 237.347 0.941 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@]1(C)CC1(F)F ZINC000849331223 645450614 /nfs/dbraw/zinc/45/06/14/645450614.db2.gz NIUJJSWPEHDAHK-SNVBAGLBSA-N 1 0 230.258 0.761 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2COC[C@H]2C)C1 ZINC000926868815 645465163 /nfs/dbraw/zinc/46/51/63/645465163.db2.gz QXHXZHNBVUJQGK-FRRDWIJNSA-N 1 0 222.332 0.709 20 30 BCEDRO C[C@H](C[C@H]1CCC(=O)N1)[NH2+]CC1(C#N)CC1 ZINC000926873970 645467779 /nfs/dbraw/zinc/46/77/79/645467779.db2.gz KKGFRLXANOXSGL-NXEZZACHSA-N 1 0 221.304 0.937 20 30 BCEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927025228 645524463 /nfs/dbraw/zinc/52/44/63/645524463.db2.gz FAENICVWYJPAMF-AXFHLTTASA-N 1 0 249.376 0.582 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ccn(CC)n1 ZINC000855561336 645527683 /nfs/dbraw/zinc/52/76/83/645527683.db2.gz USAREEPIFQUMCP-UHFFFAOYSA-N 1 0 222.292 0.959 20 30 BCEDRO Cn1nnc2c1C[C@H]([NH2+][C@H]1CC[C@@H](C#N)C1)CC2 ZINC000927142492 645566910 /nfs/dbraw/zinc/56/69/10/645566910.db2.gz CLYCGDRKTFFANW-OUAUKWLOSA-N 1 0 245.330 0.954 20 30 BCEDRO C#CC[C@H]1CCN(C(=O)C(=C)C[NH+](C)C)C1 ZINC000862574331 645700375 /nfs/dbraw/zinc/70/03/75/645700375.db2.gz IRFSUGMYGSOXNR-LBPRGKRZSA-N 1 0 220.316 0.976 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000863799833 645705658 /nfs/dbraw/zinc/70/56/58/645705658.db2.gz RGSPFJHSCNCYID-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO C[C@H](C(=O)N1CCC[C@H](C#N)C1)[NH+](C)C ZINC000928211574 645709447 /nfs/dbraw/zinc/70/94/47/645709447.db2.gz KVUBOPGXXKAZPY-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928429537 645747447 /nfs/dbraw/zinc/74/74/47/645747447.db2.gz QYGYLBASIMFSPI-UPJWGTAASA-N 1 0 249.358 0.293 20 30 BCEDRO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928436880 645759032 /nfs/dbraw/zinc/75/90/32/645759032.db2.gz VYPHGCNPOYPCSW-GHMZBOCLSA-N 1 0 208.305 0.855 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928447611 645770892 /nfs/dbraw/zinc/77/08/92/645770892.db2.gz LGTUGIZVMFFRKK-VHSXEESVSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CCCCCCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000876796546 645787191 /nfs/dbraw/zinc/78/71/91/645787191.db2.gz GDBUCXIZMPDFAU-BETUJISGSA-N 1 0 225.332 0.998 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C1(C#N)CCC1)C2 ZINC000877371344 645792223 /nfs/dbraw/zinc/79/22/23/645792223.db2.gz FMYBRSVYFQJTIE-CMPLNLGQSA-N 1 0 233.315 0.748 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000880479456 645832587 /nfs/dbraw/zinc/83/25/87/645832587.db2.gz UZQSCLNKQGKKIS-LBPRGKRZSA-N 1 0 223.316 0.873 20 30 BCEDRO C#CCC1(O)CC[NH+](Cc2cncn2C)CC1 ZINC000880479959 645832698 /nfs/dbraw/zinc/83/26/98/645832698.db2.gz DVXKQDSZGVKDRU-UHFFFAOYSA-N 1 0 233.315 0.770 20 30 BCEDRO C#CCC1(O)CC[NH+](CCn2cccn2)CC1 ZINC000880479835 645832919 /nfs/dbraw/zinc/83/29/19/645832919.db2.gz ZQQOHYQRSRPSDU-UHFFFAOYSA-N 1 0 233.315 0.733 20 30 BCEDRO [NH2+]=C(NCc1ncccc1F)N1CCOCC1 ZINC000130603879 645844620 /nfs/dbraw/zinc/84/46/20/645844620.db2.gz MDTJIPFFVOQDCI-UHFFFAOYSA-N 1 0 238.266 0.368 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C1CCN(C(=O)OC)CC1 ZINC000883124141 645848798 /nfs/dbraw/zinc/84/87/98/645848798.db2.gz XMSADNXQADVOJQ-NSHDSACASA-N 1 0 240.303 0.191 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(OCC)n1 ZINC000883123856 645848581 /nfs/dbraw/zinc/84/85/81/645848581.db2.gz MYLKSTUYNHUAKB-GFCCVEGCSA-N 1 0 234.299 0.954 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@H](O)C(C)C)CC1 ZINC000928653683 645851768 /nfs/dbraw/zinc/85/17/68/645851768.db2.gz WMRKYRZTVVBNHU-GFCCVEGCSA-N 1 0 238.331 0.217 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2cscn2)CC1 ZINC000928653868 645852106 /nfs/dbraw/zinc/85/21/06/645852106.db2.gz DGCKGIDADAWMJH-UHFFFAOYSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)/C=C/C)CC1 ZINC000928648931 645852436 /nfs/dbraw/zinc/85/24/36/645852436.db2.gz VKANVKMAQSSQJI-HWKANZROSA-N 1 0 206.289 0.776 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](C)CC#N)CC1 ZINC000928648290 645852784 /nfs/dbraw/zinc/85/27/84/645852784.db2.gz JIDRCLQHYKNGHQ-NSHDSACASA-N 1 0 233.315 0.750 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C(C)(C)CO)CC1 ZINC000928652982 645852817 /nfs/dbraw/zinc/85/28/17/645852817.db2.gz UIGWTVBSSZSWKD-UHFFFAOYSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)/C=C/COC)CC1 ZINC000928653119 645853858 /nfs/dbraw/zinc/85/38/58/645853858.db2.gz ZREFYFUUACALBW-SNAWJCMRSA-N 1 0 236.315 0.403 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C2(C#N)CCC2)CC1 ZINC000928655107 645854183 /nfs/dbraw/zinc/85/41/83/645854183.db2.gz KQDRUANXQCXPCM-UHFFFAOYSA-N 1 0 245.326 0.894 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N[C@@H](CC#N)C(F)(F)F)C1 ZINC000928802343 645860694 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/nfs/dbraw/zinc/14/86/76/646148676.db2.gz QMKCVOXEGLSOSU-GFCCVEGCSA-N 1 0 225.336 0.677 20 30 BCEDRO C=CCC[C@@H]1NC(=O)N(C[C@H]2CC[N@H+]2C)C1=O ZINC000925196516 646205600 /nfs/dbraw/zinc/20/56/00/646205600.db2.gz NLFDCLIAFJOIST-ZJUUUORDSA-N 1 0 237.303 0.577 20 30 BCEDRO C=CCN1CC(=O)N(C[C@H]2CCC[N@H+]2C)C1=O ZINC000925287822 646231424 /nfs/dbraw/zinc/23/14/24/646231424.db2.gz HABMRHUOXXSOCD-SNVBAGLBSA-N 1 0 237.303 0.531 20 30 BCEDRO C#CC[N@H+](C)CCCN1C(=O)CN(CC=C)C1=O ZINC000925305166 646233986 /nfs/dbraw/zinc/23/39/86/646233986.db2.gz AGISBTBMPMWALJ-UHFFFAOYSA-N 1 0 249.314 0.392 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925323289 646240308 /nfs/dbraw/zinc/24/03/08/646240308.db2.gz CPEILSZSNQNODE-ZJUUUORDSA-N 1 0 209.293 0.402 20 30 BCEDRO C#CC1(F)CN(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000925354114 646251391 /nfs/dbraw/zinc/25/13/91/646251391.db2.gz JQUZXQLGHLDNNM-ZJUUUORDSA-N 1 0 239.294 0.446 20 30 BCEDRO CCC1(O)CC[NH+](C[C@H](O)CC#N)CC1 ZINC000929723088 646273360 /nfs/dbraw/zinc/27/33/60/646273360.db2.gz RZAMWNNIQSBXTC-SNVBAGLBSA-N 1 0 212.293 0.498 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000925432733 646279675 /nfs/dbraw/zinc/27/96/75/646279675.db2.gz URPXZAWFQYIVDD-GHMZBOCLSA-N 1 0 241.335 0.317 20 30 BCEDRO C=CC[C@H](C)[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000925433597 646281577 /nfs/dbraw/zinc/28/15/77/646281577.db2.gz ZHRVNNMWWNIXJO-QWRGUYRKSA-N 1 0 238.331 0.836 20 30 BCEDRO C#CC(=O)N1CCN(c2cc[nH+]cc2)C[C@H]1C ZINC000925499344 646303753 /nfs/dbraw/zinc/30/37/53/646303753.db2.gz XUYXJEXFJNDSGW-LLVKDONJSA-N 1 0 229.283 0.752 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CCCF ZINC000925540439 646322482 /nfs/dbraw/zinc/32/24/82/646322482.db2.gz PBSFTZQZJQJSOK-UHFFFAOYSA-N 1 0 202.273 0.922 20 30 BCEDRO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CC#N)CC[C@@H]21 ZINC000929848447 646358054 /nfs/dbraw/zinc/35/80/54/646358054.db2.gz SHRFBXNAHNRAQN-UPJWGTAASA-N 1 0 237.347 0.677 20 30 BCEDRO C[N@@H+]1CCC[C@H]2CN(C[C@H](O)CC#N)CC[C@@H]21 ZINC000929848448 646358528 /nfs/dbraw/zinc/35/85/28/646358528.db2.gz SHRFBXNAHNRAQN-XQQFMLRXSA-N 1 0 237.347 0.677 20 30 BCEDRO C[N@@H+]1CCC[C@@H]2CN(C[C@H](O)CC#N)CC[C@H]21 ZINC000929848446 646359545 /nfs/dbraw/zinc/35/95/45/646359545.db2.gz SHRFBXNAHNRAQN-JHJVBQTASA-N 1 0 237.347 0.677 20 30 BCEDRO C=CC[C@H](CO)N[C@@H]1CC[NH2+]C12CCC2 ZINC000925647901 646388941 /nfs/dbraw/zinc/38/89/41/646388941.db2.gz KCBCYQPUIHKUIL-GHMZBOCLSA-N 1 0 210.321 0.798 20 30 BCEDRO C=CC[C@H](CO)N[C@H]1CC[NH2+]C12CCC2 ZINC000925647902 646389525 /nfs/dbraw/zinc/38/95/25/646389525.db2.gz KCBCYQPUIHKUIL-MNOVXSKESA-N 1 0 210.321 0.798 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+][C@H]1CNCCOC1 ZINC000925654190 646391305 /nfs/dbraw/zinc/39/13/05/646391305.db2.gz DLZHEIACXJXGBA-AGIUHOORSA-N 1 0 240.347 0.546 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000930073110 646420092 /nfs/dbraw/zinc/42/00/92/646420092.db2.gz YRSSVIBVYOXDDQ-QJPTWQEYSA-N 1 0 224.304 0.619 20 30 BCEDRO C=CCCSCCN[C@H]1C[NH2+]CCOC1 ZINC000925703176 646427671 /nfs/dbraw/zinc/42/76/71/646427671.db2.gz CFSCYBWJTQMEFQ-NSHDSACASA-N 1 0 230.377 0.874 20 30 BCEDRO C=CCOCCC[NH2+][C@H]1CNCCOC1 ZINC000925707402 646433253 /nfs/dbraw/zinc/43/32/53/646433253.db2.gz IQKGKTNVVFNKFD-NSHDSACASA-N 1 0 214.309 0.157 20 30 BCEDRO C[C@]1(CCCO)CCC[N@@H+]1C[C@H](O)CC#N ZINC000930160804 646463997 /nfs/dbraw/zinc/46/39/97/646463997.db2.gz ZVVGPPRAZWHSQG-VXGBXAGGSA-N 1 0 226.320 0.888 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(CCC(N)=O)CC1 ZINC000930158719 646465166 /nfs/dbraw/zinc/46/51/66/646465166.db2.gz OPLPYJBMWQAYJT-LBPRGKRZSA-N 1 0 240.347 0.901 20 30 BCEDRO N#CC[C@@H](O)CN1CCC[C@@H]1c1ncc[nH]1 ZINC000930169501 646469501 /nfs/dbraw/zinc/46/95/01/646469501.db2.gz ZXLFVWGTWNYGSM-NXEZZACHSA-N 1 0 220.276 0.821 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)C(C)(C)CO ZINC000925978515 646551246 /nfs/dbraw/zinc/55/12/46/646551246.db2.gz CSRSSTUHCCGGFL-SECBINFHSA-N 1 0 214.309 0.285 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)Cc1ccccn1 ZINC000925979994 646551553 /nfs/dbraw/zinc/55/15/53/646551553.db2.gz VUSZMOMKOIWJMG-NSHDSACASA-N 1 0 233.315 0.904 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCOC[C@@H]1C(C)C ZINC000925979322 646551641 /nfs/dbraw/zinc/55/16/41/646551641.db2.gz MDRCJNYAHCZLPB-VXGBXAGGSA-N 1 0 240.347 0.939 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)C(C)(C)CO ZINC000925978516 646551682 /nfs/dbraw/zinc/55/16/82/646551682.db2.gz CSRSSTUHCCGGFL-VIFPVBQESA-N 1 0 214.309 0.285 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CO[C@H](C)[C@H]1C ZINC000926126786 646579529 /nfs/dbraw/zinc/57/95/29/646579529.db2.gz UAMIEWOLTUUDDG-GMTAPVOTSA-N 1 0 247.360 0.600 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CN2C[C@@H]1CCC2)[C@H]1CCCO1 ZINC000926209395 646596044 /nfs/dbraw/zinc/59/60/44/646596044.db2.gz DUUHEXPCHVYTID-XDQVBPFNSA-N 1 0 234.343 0.851 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001038042115 711578080 /nfs/dbraw/zinc/57/80/80/711578080.db2.gz VVKVBGFOSSHKKQ-RYUDHWBXSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001038042112 711578110 /nfs/dbraw/zinc/57/81/10/711578110.db2.gz VVKVBGFOSSHKKQ-NEPJUHHUSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CC[N@@H+](C)CCCN1C(=O)N[C@@H](CC)C1=O ZINC000925313030 711797929 /nfs/dbraw/zinc/79/79/29/711797929.db2.gz LAPJXAYBHLXRHG-JTQLQIEISA-N 1 0 237.303 0.272 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1C[C@@H](O)C1(C)C ZINC000907535409 711815781 /nfs/dbraw/zinc/81/57/81/711815781.db2.gz SPEGDIQOIFVRAL-GHMZBOCLSA-N 1 0 240.347 0.770 20 30 BCEDRO COC[C@H](C)[C@H](C)C(=O)NCC#CC[NH+](C)C ZINC000913522308 711824136 /nfs/dbraw/zinc/82/41/36/711824136.db2.gz CWOXULPDFZEHTP-RYUDHWBXSA-N 1 0 240.347 0.586 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@@]1(C)CCCOC1 ZINC000913520970 711824082 /nfs/dbraw/zinc/82/40/82/711824082.db2.gz GOWFIPQKPRIURN-ZDUSSCGKSA-N 1 0 238.331 0.484 20 30 BCEDRO C=CCN1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC001030155934 711827230 /nfs/dbraw/zinc/82/72/30/711827230.db2.gz RQBNXEBKPDRGAG-NSHDSACASA-N 1 0 223.320 0.067 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)[C@H]2CCOC2)C1 ZINC001032944260 711969073 /nfs/dbraw/zinc/96/90/73/711969073.db2.gz WOUCXJJZPJRIBS-NWDGAFQWSA-N 1 0 238.331 0.742 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1[C@H](C)O[C@H](C)[C@H]1C ZINC000701036755 712013095 /nfs/dbraw/zinc/01/30/95/712013095.db2.gz YZTAITBAQHMCRV-LVEVGFFFSA-N 1 0 238.331 0.526 20 30 BCEDRO C=CC[C@@H]1CCCN(C(=O)[C@H](C[NH3+])OC)C1 ZINC000703644713 712083177 /nfs/dbraw/zinc/08/31/77/712083177.db2.gz XJWCWIOZVLTMTB-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO C#CC[NH+]1CC2(C1)CCN(C(=O)C(F)F)CC2 ZINC001035630219 712138201 /nfs/dbraw/zinc/13/82/01/712138201.db2.gz NCUYUHAVEUHCSD-UHFFFAOYSA-N 1 0 242.269 0.809 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@H](CC)[NH2+]C ZINC000707333351 712167832 /nfs/dbraw/zinc/16/78/32/712167832.db2.gz GAXWOQMCFVANOQ-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@@H](C)[NH2+]CC ZINC000707294168 712169189 /nfs/dbraw/zinc/16/91/89/712169189.db2.gz KTOAQYPNDDDGLA-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@H](C)[NH2+]CC ZINC000707294167 712169492 /nfs/dbraw/zinc/16/94/92/712169492.db2.gz KTOAQYPNDDDGLA-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO C=CC[N@H+]1CC[C@H]2CN(C(=O)COC)CC[C@@H]21 ZINC001036607625 712200725 /nfs/dbraw/zinc/20/07/25/712200725.db2.gz ZAXRCQKTFLFHRK-RYUDHWBXSA-N 1 0 238.331 0.742 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H]2CN(C(C)=O)CC[C@H]21 ZINC001036609735 712224586 /nfs/dbraw/zinc/22/45/86/712224586.db2.gz FVCVPUYNLFBLHS-CHWSQXEVSA-N 1 0 220.316 0.952 20 30 BCEDRO C=CCCS(=O)(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000710935595 712266193 /nfs/dbraw/zinc/26/61/93/712266193.db2.gz WKTATCVQPXGTNW-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCC1(OC)OC ZINC000710961993 712268981 /nfs/dbraw/zinc/26/89/81/712268981.db2.gz RVKFMTXTKDJXOD-NXEZZACHSA-N 1 0 215.293 0.665 20 30 BCEDRO C#CCCS(=O)(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000711064529 712278123 /nfs/dbraw/zinc/27/81/23/712278123.db2.gz BERGNFOIAIUSFU-LLVKDONJSA-N 1 0 244.360 0.271 20 30 BCEDRO C#CCCS(=O)(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000711174955 712288245 /nfs/dbraw/zinc/28/82/45/712288245.db2.gz OSSHYLRFYFKSGG-NSHDSACASA-N 1 0 246.376 0.658 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)CC2CC2)C1 ZINC001079347839 712348081 /nfs/dbraw/zinc/34/80/81/712348081.db2.gz KWZOLWXCHWCGIR-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+](C)CC[C@H](C)O ZINC000379491691 712386050 /nfs/dbraw/zinc/38/60/50/712386050.db2.gz RBMIXOUVLIBDKU-VHSXEESVSA-N 1 0 200.282 0.618 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000716374097 712557248 /nfs/dbraw/zinc/55/72/48/712557248.db2.gz GPADATPWHUBJBJ-BDAKNGLRSA-N 1 0 239.237 0.928 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C1CC[NH+](C)CC1 ZINC000716799701 712574638 /nfs/dbraw/zinc/57/46/38/712574638.db2.gz NALOTCDWXANMQN-GFCCVEGCSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[C@@H](COC)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000716828430 712577360 /nfs/dbraw/zinc/57/73/60/712577360.db2.gz LBWYTRHFRRBAHP-WCQYABFASA-N 1 0 240.347 0.069 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cn(C)nc1C ZINC000716928414 712596458 /nfs/dbraw/zinc/59/64/58/712596458.db2.gz IJZKJQYBNJVOSA-LBPRGKRZSA-N 1 0 221.304 0.856 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cncnc1 ZINC000716928724 712596498 /nfs/dbraw/zinc/59/64/98/712596498.db2.gz MZOFUEFMLXTFNH-LLVKDONJSA-N 1 0 205.261 0.605 20 30 BCEDRO Cn1cncc1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857237009 712616307 /nfs/dbraw/zinc/61/63/07/712616307.db2.gz NMYDCZXGJNPLEU-LLVKDONJSA-N 1 0 236.319 0.810 20 30 BCEDRO C[C@H](O)[C@@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000717377377 712652368 /nfs/dbraw/zinc/65/23/68/712652368.db2.gz USZJGJGNJHVQCS-KWBADKCTSA-N 1 0 234.299 0.951 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)N2CCCC2)C1 ZINC000886355139 712654743 /nfs/dbraw/zinc/65/47/43/712654743.db2.gz CSBFRZUQDLBHBD-GFCCVEGCSA-N 1 0 220.316 0.954 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000886744976 712657327 /nfs/dbraw/zinc/65/73/27/712657327.db2.gz LESQVOWLMYGJNB-MNOVXSKESA-N 1 0 236.319 0.684 20 30 BCEDRO C[C@H](CC(C)(C)C#N)[NH2+]CC1(CO)COC1 ZINC000717615840 712662211 /nfs/dbraw/zinc/66/22/11/712662211.db2.gz CBMMDEQKGROKOE-SNVBAGLBSA-N 1 0 226.320 0.913 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)c1ccccc1F ZINC000717531942 712660758 /nfs/dbraw/zinc/66/07/58/712660758.db2.gz KRKVGDOKPUWSNL-LBPRGKRZSA-N 1 0 223.247 0.444 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC1(OC)OC ZINC000717536541 712660908 /nfs/dbraw/zinc/66/09/08/712660908.db2.gz ZHAHGAIDWGELFE-RKDXNWHRSA-N 1 0 201.266 0.274 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H](C)[C@H]1CCCCO1 ZINC000717698092 712665351 /nfs/dbraw/zinc/66/53/51/712665351.db2.gz BMPZGFDGBJTBKX-QJPTWQEYSA-N 1 0 211.305 0.918 20 30 BCEDRO C#CC[C@H](CO)[NH2+]CCCc1cnn(C)c1 ZINC000717747239 712669101 /nfs/dbraw/zinc/66/91/01/712669101.db2.gz CHGFATDARFKZFD-GFCCVEGCSA-N 1 0 221.304 0.327 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000717732121 712668242 /nfs/dbraw/zinc/66/82/42/712668242.db2.gz HDBGXNFMVXOXTL-OLZOCXBDSA-N 1 0 240.347 0.071 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cncn1C(C)C ZINC000717812874 712680090 /nfs/dbraw/zinc/68/00/90/712680090.db2.gz DEMURMKJUKAPJF-NSHDSACASA-N 1 0 221.304 0.938 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C1CCN(C2CC2)CC1 ZINC000717839983 712686933 /nfs/dbraw/zinc/68/69/33/712686933.db2.gz CCFNWNUOZDXRHQ-GFCCVEGCSA-N 1 0 222.332 0.587 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1CCCO1)[C@H]1CCCO1 ZINC000380110533 712687512 /nfs/dbraw/zinc/68/75/12/712687512.db2.gz RTGDRUQJZIXGEV-GRYCIOLGSA-N 1 0 209.289 0.936 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CSC)[C@@H]1CCCO1 ZINC000380159140 712702347 /nfs/dbraw/zinc/70/23/47/712702347.db2.gz AEIXQCWBKOIPOA-VWYCJHECSA-N 1 0 229.345 0.481 20 30 BCEDRO C#CCC[C@@H](O)CNC(NCC)=[NH+]CC ZINC000717959156 712735020 /nfs/dbraw/zinc/73/50/20/712735020.db2.gz VYAQJZHQIQCAFZ-SNVBAGLBSA-N 1 0 211.309 0.336 20 30 BCEDRO N#CCCC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719067149 712795406 /nfs/dbraw/zinc/79/54/06/712795406.db2.gz PDGPEWHQVLRSLE-SNVBAGLBSA-N 1 0 210.277 0.985 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000719353891 712805379 /nfs/dbraw/zinc/80/53/79/712805379.db2.gz KARYHRVCBOWMHR-BBBLOLIVSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H]1[C@@H](Nc2cc(C#N)ncn2)CC[N@@H+]1C ZINC000719603781 712815961 /nfs/dbraw/zinc/81/59/61/712815961.db2.gz SUBNFBPELZMXBY-WPRPVWTQSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@@H]1[C@H](Nc2cc(C#N)cnn2)CC[N@@H+]1C ZINC000719772560 712823908 /nfs/dbraw/zinc/82/39/08/712823908.db2.gz BEJMHYSITUXQKL-PSASIEDQSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@H]1[C@@H](Nc2cc(C#N)cnn2)CC[N@@H+]1C ZINC000719772565 712824196 /nfs/dbraw/zinc/82/41/96/712824196.db2.gz BEJMHYSITUXQKL-WPRPVWTQSA-N 1 0 217.276 0.853 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnn(CC)c2)C1 ZINC000968027458 712897659 /nfs/dbraw/zinc/89/76/59/712897659.db2.gz NUIPSNCYNQCPPX-GFCCVEGCSA-N 1 0 246.314 0.340 20 30 BCEDRO C#CCOCCC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000381354414 710627285 /nfs/dbraw/zinc/62/72/85/710627285.db2.gz CAXIMOBZARPCQG-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CC1(Cl)Cl ZINC000381481147 710643954 /nfs/dbraw/zinc/64/39/54/710643954.db2.gz DJDMOEIFKJSCBE-DSYKOEDSSA-N 1 0 248.113 0.408 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccncc1 ZINC001038013793 712898563 /nfs/dbraw/zinc/89/85/63/712898563.db2.gz HKBKXHGYQYLISM-ZDUSSCGKSA-N 1 0 243.310 0.909 20 30 BCEDRO C#CCCC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000381495134 710646292 /nfs/dbraw/zinc/64/62/92/710646292.db2.gz BNKNMCXYESKOLI-NSHDSACASA-N 1 0 244.360 0.366 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H](CO)C2CC2)C1=O ZINC000381509102 710649202 /nfs/dbraw/zinc/64/92/02/710649202.db2.gz VDGBZBBKBCBGDI-QWRGUYRKSA-N 1 0 224.304 0.134 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2cc(C)n[nH]2)C1 ZINC001018703749 710667843 /nfs/dbraw/zinc/66/78/43/710667843.db2.gz ZPJILKGSXFETND-NSHDSACASA-N 1 0 248.330 0.637 20 30 BCEDRO CC#CCN1CC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001038242662 710680812 /nfs/dbraw/zinc/68/08/12/710680812.db2.gz BZRDDFKFXOQMIT-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@]12C[C@H]1COC2 ZINC001038272954 710682699 /nfs/dbraw/zinc/68/26/99/710682699.db2.gz ZGCAUDURQASLPV-SCRDCRAPSA-N 1 0 248.326 0.237 20 30 BCEDRO C#CCCN1CC[C@H]1CNC(=O)c1ccns1 ZINC001038307306 710682967 /nfs/dbraw/zinc/68/29/67/710682967.db2.gz AFCNKUMQKDQMSO-JTQLQIEISA-N 1 0 249.339 0.971 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1C[NH2+]C[C@H]1C ZINC000721889875 710690629 /nfs/dbraw/zinc/69/06/29/710690629.db2.gz PPZYXHXEZHQPGO-RKDXNWHRSA-N 1 0 218.322 0.090 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000380386336 712900370 /nfs/dbraw/zinc/90/03/70/712900370.db2.gz YVNMRONTRNXXNP-AOOOYVTPSA-N 1 0 206.289 0.324 20 30 BCEDRO CC#CCN1CC[C@@H]1CNC(=O)[C@H]1CC[N@H+](C)C1 ZINC001039027157 710717072 /nfs/dbraw/zinc/71/70/72/710717072.db2.gz JDAKWVLZPMYRPT-QWHCGFSZSA-N 1 0 249.358 0.152 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC001039016737 710718508 /nfs/dbraw/zinc/71/85/08/710718508.db2.gz KNQJCGVHFXUUHO-RYUDHWBXSA-N 1 0 237.347 0.315 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@@H]1C[NH2+]C[C@H]1C ZINC000723802816 710732813 /nfs/dbraw/zinc/73/28/13/710732813.db2.gz XBNQUQGDXRDPSW-ZJUUUORDSA-N 1 0 232.349 0.337 20 30 BCEDRO CO[C@@H]1CCOC[C@H]1[NH2+]Cc1cncc(C#N)c1 ZINC000724879220 710747538 /nfs/dbraw/zinc/74/75/38/710747538.db2.gz DKCNZUNPVHTSTI-CHWSQXEVSA-N 1 0 247.298 0.847 20 30 BCEDRO C=CC[N@H+]1CC[C@]2(CCN(C(=O)COC)C2)C1 ZINC001040970320 710761296 /nfs/dbraw/zinc/76/12/96/710761296.db2.gz YRTOOYPGRCZTEI-ZDUSSCGKSA-N 1 0 238.331 0.743 20 30 BCEDRO CCC(=[NH+]NCC(N)=O)c1cccc(N)c1 ZINC000382006789 710765662 /nfs/dbraw/zinc/76/56/62/710765662.db2.gz BIYFFFPGQORFND-UHFFFAOYSA-N 1 0 220.276 0.458 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)COC)C[C@@H]21 ZINC001041871756 710771718 /nfs/dbraw/zinc/77/17/18/710771718.db2.gz FTHQSQONCRFEDG-NEPJUHHUSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CCN1CC[C@@H]2CCN(C(=O)C(F)F)C[C@@H]21 ZINC001041877394 710772261 /nfs/dbraw/zinc/77/22/61/710772261.db2.gz CZQVIXCGCDXIFC-ZJUUUORDSA-N 1 0 242.269 0.808 20 30 BCEDRO C=CCN1CC(N(C)C(=O)[C@@H]2CCC[N@@H+]2C)C1 ZINC001042545849 710792060 /nfs/dbraw/zinc/79/20/60/710792060.db2.gz JVCOYVOFBSINKN-LBPRGKRZSA-N 1 0 237.347 0.409 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](CC)[C@@H]1CCCO1 ZINC000393818698 710799676 /nfs/dbraw/zinc/79/96/76/710799676.db2.gz HURZZHHRVDZQEB-MNOVXSKESA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCN1CC(N(C)C(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001043863361 710814508 /nfs/dbraw/zinc/81/45/08/710814508.db2.gz DOLCLIIKVHOVEB-LBPRGKRZSA-N 1 0 249.358 0.247 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)CO[C@H](C)COC ZINC000384193564 710814890 /nfs/dbraw/zinc/81/48/90/710814890.db2.gz IIPNIRFUBYWBSE-JHJVBQTASA-N 1 0 243.347 0.790 20 30 BCEDRO C#CCN1CC(N(C)C(=O)C[N@H+]2CCC[C@H]2C)C1 ZINC001043863356 710814951 /nfs/dbraw/zinc/81/49/51/710814951.db2.gz DOLCLIIKVHOVEB-GFCCVEGCSA-N 1 0 249.358 0.247 20 30 BCEDRO C#CCN1CC(N(C)C(=O)C[C@@H]2CC[N@H+](C)C2)C1 ZINC001044189128 710821524 /nfs/dbraw/zinc/82/15/24/710821524.db2.gz RWBNPZRSCLRMTR-LBPRGKRZSA-N 1 0 249.358 0.104 20 30 BCEDRO C=CCN1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044294181 710823561 /nfs/dbraw/zinc/82/35/61/710823561.db2.gz SAZFOJXYZUECQM-LLVKDONJSA-N 1 0 237.347 0.267 20 30 BCEDRO CC#CCN1CC(N(C)C(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001044291025 710823617 /nfs/dbraw/zinc/82/36/17/710823617.db2.gz YMVKBYUMNAOEIY-GFCCVEGCSA-N 1 0 249.358 0.104 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)COC)[C@@H](C)C1 ZINC001044395538 710824420 /nfs/dbraw/zinc/82/44/20/710824420.db2.gz AURVGNCAYQBABT-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CC2)[C@H](C)C1 ZINC001044401900 710824800 /nfs/dbraw/zinc/82/48/00/710824800.db2.gz QNPSLESTJKWGBZ-ZYHUDNBSSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)COC)[C@H](C)C1 ZINC001044395468 710824838 /nfs/dbraw/zinc/82/48/38/710824838.db2.gz AKCRJFMDTNXQED-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)COC)[C@@H](C)C1 ZINC001044395473 710825088 /nfs/dbraw/zinc/82/50/88/710825088.db2.gz AKCRJFMDTNXQED-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H](C)C1 ZINC001044517243 710828087 /nfs/dbraw/zinc/82/80/87/710828087.db2.gz GHBUQQZINSVLPM-ZJUUUORDSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cocn2)[C@@H](C)C1 ZINC001044490432 710828563 /nfs/dbraw/zinc/82/85/63/710828563.db2.gz PHWDDPBEOWXFLQ-QWRGUYRKSA-N 1 0 247.298 0.891 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cnccn2)C1 ZINC001046109492 710850618 /nfs/dbraw/zinc/85/06/18/710850618.db2.gz NHWVLRODDYBCRR-CYBMUJFWSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)c2ccnn2C)C1 ZINC001046182329 710853905 /nfs/dbraw/zinc/85/39/05/710853905.db2.gz GCNZRGLJLZAQGT-ZDUSSCGKSA-N 1 0 246.314 0.248 20 30 BCEDRO C#CC[N@H+]1CC[C@@](C)(NC(=O)C2=CCOCC2)C1 ZINC001046258863 710856667 /nfs/dbraw/zinc/85/66/67/710856667.db2.gz ARSHEZIAXYSDKJ-CQSZACIVSA-N 1 0 248.326 0.547 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001046324088 710858187 /nfs/dbraw/zinc/85/81/87/710858187.db2.gz HXJAYHGIJSUFCL-UBHSHLNASA-N 1 0 248.326 0.237 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2[nH]nnc2C)C1 ZINC001046530857 710862285 /nfs/dbraw/zinc/86/22/85/710862285.db2.gz JYYFAPMQPVQKLD-GFCCVEGCSA-N 1 0 249.318 0.493 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CCCO3)C[C@H]2C1 ZINC001048667360 710884215 /nfs/dbraw/zinc/88/42/15/710884215.db2.gz ZKNCSBLFKJGUDO-FRRDWIJNSA-N 1 0 248.326 0.189 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2CN(C(=O)CSC)C[C@H]2C1 ZINC001048669588 710884449 /nfs/dbraw/zinc/88/44/49/710884449.db2.gz RICITXKMMHDDDY-PHIMTYICSA-N 1 0 240.372 0.926 20 30 BCEDRO C=CC[NH+]1CCC2(CN(C(=O)COC)C2)CC1 ZINC001050395372 710951020 /nfs/dbraw/zinc/95/10/20/710951020.db2.gz MZGJOCRKFSFGCP-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccco2)C[C@H]1C ZINC001054335623 710930317 /nfs/dbraw/zinc/93/03/17/710930317.db2.gz PUNBFPOKMFYMLN-MNOVXSKESA-N 1 0 232.283 0.963 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)CSC)C[C@@H]1C ZINC001054360867 710931333 /nfs/dbraw/zinc/93/13/33/710931333.db2.gz IESDQDDSFVPUPU-VHSXEESVSA-N 1 0 226.345 0.419 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)CSC)C[C@H]1C ZINC001054360865 710931395 /nfs/dbraw/zinc/93/13/95/710931395.db2.gz IESDQDDSFVPUPU-NXEZZACHSA-N 1 0 226.345 0.419 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc(C)on2)C[C@@H]1C ZINC001054360135 710931453 /nfs/dbraw/zinc/93/14/53/710931453.db2.gz BAKRZJBIKKHVEY-CABZTGNLSA-N 1 0 247.298 0.666 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)CSC)C[C@@H]1C ZINC001054361857 710931682 /nfs/dbraw/zinc/93/16/82/710931682.db2.gz VWNZSUAPQHMCLH-UWVGGRQHSA-N 1 0 228.361 0.972 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@@H]1C ZINC001054476730 710936067 /nfs/dbraw/zinc/93/60/67/710936067.db2.gz ABXQNXLSMBMHPF-CABZTGNLSA-N 1 0 246.314 0.401 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccnn2C)C[C@H]1C ZINC001054482948 710936292 /nfs/dbraw/zinc/93/62/92/710936292.db2.gz UVUUIGRMOFOXHJ-MNOVXSKESA-N 1 0 246.314 0.103 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@@H]1C ZINC001054471740 710936525 /nfs/dbraw/zinc/93/65/25/710936525.db2.gz YXPCSUQABQZZOY-CABZTGNLSA-N 1 0 246.314 0.401 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cscn2)C[C@@H]1C ZINC001054467675 710936555 /nfs/dbraw/zinc/93/65/55/710936555.db2.gz YOQUJXTYBZRELM-UWVGGRQHSA-N 1 0 249.339 0.826 20 30 BCEDRO CC[NH2+][C@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001054536083 710937140 /nfs/dbraw/zinc/93/71/40/710937140.db2.gz YQYNZTAXMMPRJV-CABZTGNLSA-N 1 0 246.314 0.956 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ocnc2C)C[C@@H]1C ZINC001054536366 710937351 /nfs/dbraw/zinc/93/73/51/710937351.db2.gz ZPRRHUQKIGPTSA-ONGXEEELSA-N 1 0 247.298 0.666 20 30 BCEDRO CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C ZINC001054566274 710938340 /nfs/dbraw/zinc/93/83/40/710938340.db2.gz AFMFEWITCSFSPL-BXKDBHETSA-N 1 0 246.314 0.956 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2=CCOCC2)C[C@H]1C ZINC001054603455 710939028 /nfs/dbraw/zinc/93/90/28/710939028.db2.gz HFNWQQZESGKUKV-DGCLKSJQSA-N 1 0 248.326 0.403 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)Cc2ccoc2)C[C@@H]1C ZINC001054601372 710939305 /nfs/dbraw/zinc/93/93/05/710939305.db2.gz XTOYNICANQPCIY-AAEUAGOBSA-N 1 0 246.310 0.892 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccoc2)C[C@@H]1C ZINC001054601374 710939541 /nfs/dbraw/zinc/93/95/41/710939541.db2.gz XTOYNICANQPCIY-WCQYABFASA-N 1 0 246.310 0.892 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2ccoc2)C[C@H]1C ZINC001054601373 710939665 /nfs/dbraw/zinc/93/96/65/710939665.db2.gz XTOYNICANQPCIY-DGCLKSJQSA-N 1 0 246.310 0.892 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2n[nH]cc2C)C[C@@H]1C ZINC001054656887 710940661 /nfs/dbraw/zinc/94/06/61/710940661.db2.gz LTFSTINLDPJLRJ-WDEREUQCSA-N 1 0 248.330 0.954 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2ncc[nH]2)C[C@@H]1C ZINC001054641231 710940733 /nfs/dbraw/zinc/94/07/33/710940733.db2.gz GIDPBRWNHJNMEV-UWVGGRQHSA-N 1 0 234.303 0.646 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C ZINC001054639328 710940820 /nfs/dbraw/zinc/94/08/20/710940820.db2.gz YUFYIBFEGBLHNX-VHSXEESVSA-N 1 0 249.318 0.051 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cn(C)nn2)C[C@@H]1C ZINC001054639324 710940842 /nfs/dbraw/zinc/94/08/42/710940842.db2.gz YUFYIBFEGBLHNX-UWVGGRQHSA-N 1 0 249.318 0.051 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C ZINC001054953470 710942227 /nfs/dbraw/zinc/94/22/27/710942227.db2.gz FNIQOHALQRKOAM-SKDRFNHKSA-N 1 0 246.314 0.401 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@@H]1C ZINC001054919250 710942369 /nfs/dbraw/zinc/94/23/69/710942369.db2.gz IHFPQALNSGQCBD-CABZTGNLSA-N 1 0 249.289 0.837 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@@H]1C ZINC001054998265 710944374 /nfs/dbraw/zinc/94/43/74/710944374.db2.gz YSQJOUMSOGBMJH-CMPLNLGQSA-N 1 0 247.298 0.287 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccn[nH]2)CC1 ZINC001052222768 710964110 /nfs/dbraw/zinc/96/41/10/710964110.db2.gz LUNIRWHSSADDCV-NSHDSACASA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cocn2)CC1 ZINC001052239546 710964144 /nfs/dbraw/zinc/96/41/44/710964144.db2.gz BMAOXVAAFYAHQM-LLVKDONJSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnco2)CC1 ZINC001052605831 710965251 /nfs/dbraw/zinc/96/52/51/710965251.db2.gz OAVBOJKFVYRLSS-NSHDSACASA-N 1 0 247.298 0.892 20 30 BCEDRO C#CCC[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000382480375 710971343 /nfs/dbraw/zinc/97/13/43/710971343.db2.gz JBSFTVPSSVICDG-CYBMUJFWSA-N 1 0 222.332 0.806 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)CC(=O)OCC ZINC000382542146 710973849 /nfs/dbraw/zinc/97/38/49/710973849.db2.gz VNYPGZKAJPURQN-SNVBAGLBSA-N 1 0 213.277 0.256 20 30 BCEDRO C#C[C@](C)(CC)NC[C@H](O)C[N@@H+](C)CC ZINC000384130151 710989262 /nfs/dbraw/zinc/98/92/62/710989262.db2.gz AIXDSUOYPCTWHX-NWDGAFQWSA-N 1 0 212.337 0.691 20 30 BCEDRO C#C[C@](C)(CC)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000384139789 710990545 /nfs/dbraw/zinc/99/05/45/710990545.db2.gz FMKMIZXYJKJJLG-QWHCGFSZSA-N 1 0 224.348 0.833 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@](C)(C#C)CC ZINC000384144752 710990782 /nfs/dbraw/zinc/99/07/82/710990782.db2.gz FFTXIBCOZQJVCL-PWSUYJOCSA-N 1 0 206.289 0.516 20 30 BCEDRO CN(CCOCCC#N)C[C@@H]1CCC[N@@H+]1C ZINC000385173944 711007001 /nfs/dbraw/zinc/00/70/01/711007001.db2.gz BUYBQIMGBUGYRW-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C=C(C)COCCNC1=[NH+]CCCN1C ZINC000385922001 711019089 /nfs/dbraw/zinc/01/90/89/711019089.db2.gz AKHCTLKCHYKDNS-UHFFFAOYSA-N 1 0 211.309 0.860 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCSC[C@H]1CO ZINC000388593262 711062278 /nfs/dbraw/zinc/06/22/78/711062278.db2.gz INFKNULCWFNGFF-NXEZZACHSA-N 1 0 230.333 0.325 20 30 BCEDRO C#C[C@H]([NH2+]C1CC(OC)C1)[C@H]1CCCO1 ZINC000389939247 711099286 /nfs/dbraw/zinc/09/92/86/711099286.db2.gz OBQDQTDUSWBYCN-MMVSWEMESA-N 1 0 209.289 0.934 20 30 BCEDRO C#C[C@H]([NH2+]C1CC(OC)C1)[C@@H]1CCCO1 ZINC000389939248 711099302 /nfs/dbraw/zinc/09/93/02/711099302.db2.gz OBQDQTDUSWBYCN-QQFIATSDSA-N 1 0 209.289 0.934 20 30 BCEDRO C#CCCNc1nc(N)c2ccccc2n1 ZINC000390340903 711112994 /nfs/dbraw/zinc/11/29/94/711112994.db2.gz MUSFLWKUSLANNF-UHFFFAOYSA-N 1 0 212.256 0.899 20 30 BCEDRO COC(=O)[C@@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000390425364 711116521 /nfs/dbraw/zinc/11/65/21/711116521.db2.gz VJWCEQHSAOSXOZ-NXEZZACHSA-N 1 0 226.276 0.410 20 30 BCEDRO CC(C)(CC(N)=O)[NH2+]CCOCCC#N ZINC000393501365 711161380 /nfs/dbraw/zinc/16/13/80/711161380.db2.gz UWKWXGRMNDHEEK-UHFFFAOYSA-N 1 0 213.281 0.160 20 30 BCEDRO C[C@@H](C#N)OCCN1CC[N@H+](C)[C@H](C)C1 ZINC000393726522 711171489 /nfs/dbraw/zinc/17/14/89/711171489.db2.gz DAUUFQWYNSSGFC-MNOVXSKESA-N 1 0 211.309 0.551 20 30 BCEDRO C=CCN(CC(=O)OCC)CC(C)(C)[NH3+] ZINC000393752567 711172161 /nfs/dbraw/zinc/17/21/61/711172161.db2.gz FJOCSFPSINMPNI-UHFFFAOYSA-N 1 0 214.309 0.775 20 30 BCEDRO C=CCOCCNC(=O)CCCCC[NH3+] ZINC000393756672 711172891 /nfs/dbraw/zinc/17/28/91/711172891.db2.gz BKVPNGRPDQXKAH-UHFFFAOYSA-N 1 0 214.309 0.824 20 30 BCEDRO C=CCNC(=O)CNC(=O)CCCCCC[NH3+] ZINC000393823674 711177212 /nfs/dbraw/zinc/17/72/12/711177212.db2.gz NNPMOXSGESJUGW-UHFFFAOYSA-N 1 0 241.335 0.314 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@](C)(COC)C1 ZINC000394484003 711194019 /nfs/dbraw/zinc/19/40/19/711194019.db2.gz MYWNPKZOGYLRPP-LBPRGKRZSA-N 1 0 224.304 0.094 20 30 BCEDRO C[C@@H]1[C@H](O)CCC[N@@H+]1CCOCCC#N ZINC000395520353 711211229 /nfs/dbraw/zinc/21/12/29/711211229.db2.gz VUSISLVKYQKMFO-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO CCNC(NCC[S@@](=O)CC)=[NH+]CC ZINC000395542057 711213425 /nfs/dbraw/zinc/21/34/25/711213425.db2.gz NLDLWDSXSLVJKK-AWEZNQCLSA-N 1 0 219.354 0.330 20 30 BCEDRO CCNC(NC[C@](C)(O)C1CC1)=[NH+]CC ZINC000395632506 711214813 /nfs/dbraw/zinc/21/48/13/711214813.db2.gz QCINWYWJHSWAMS-NSHDSACASA-N 1 0 213.325 0.722 20 30 BCEDRO CCNC(NC[C@H](CC)OC)=[NH+]CC ZINC000395769182 711216290 /nfs/dbraw/zinc/21/62/90/711216290.db2.gz JKQRHSJYTZPEJU-VIFPVBQESA-N 1 0 201.314 0.986 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CCCS1 ZINC000381483119 710644482 /nfs/dbraw/zinc/64/44/82/710644482.db2.gz FZXZIGUNZPIUFY-HRDYMLBCSA-N 1 0 225.317 0.110 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cnn(C)c2C)C1 ZINC001019992106 710673090 /nfs/dbraw/zinc/67/30/90/710673090.db2.gz WSSXUTALAVBIAH-XYPYZODXSA-N 1 0 246.314 0.212 20 30 BCEDRO CC1(C)C[NH2+]C[C@@H]1Nc1ncncc1C#N ZINC000721945925 710693749 /nfs/dbraw/zinc/69/37/49/710693749.db2.gz WUARLACAGCVJKU-VIFPVBQESA-N 1 0 217.276 0.180 20 30 BCEDRO CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001038598797 710697037 /nfs/dbraw/zinc/69/70/37/710697037.db2.gz XWKFLAZIEYONKQ-IJLUTSLNSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnco2)[C@@H](C)C1 ZINC001044696757 710829423 /nfs/dbraw/zinc/82/94/23/710829423.db2.gz IFPGMYAMNPSSIW-WDEREUQCSA-N 1 0 247.298 0.891 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]n2)[C@H](C)C1 ZINC001044660367 710829470 /nfs/dbraw/zinc/82/94/70/710829470.db2.gz VZSTVYZHZABLFB-NXEZZACHSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CC[NH+]1CCC(C)(NC(=O)c2cnon2)CC1 ZINC001045592840 710839282 /nfs/dbraw/zinc/83/92/82/710839282.db2.gz BNJCKQBVAHTTGU-UHFFFAOYSA-N 1 0 248.286 0.287 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2ccnnc2)C1 ZINC001046650565 710862734 /nfs/dbraw/zinc/86/27/34/710862734.db2.gz MUJHXWCGEJEEQU-CYBMUJFWSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3CC34CC4)C[C@H]2C1 ZINC001049080675 710894409 /nfs/dbraw/zinc/89/44/09/710894409.db2.gz XFYJEZDPNNADLZ-FRRDWIJNSA-N 1 0 244.338 0.810 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2[C@H]1CCCN2C(=O)[C@H](C)C#N ZINC001049382193 710900666 /nfs/dbraw/zinc/90/06/66/710900666.db2.gz NCTNJKYJENUUPC-JHJVBQTASA-N 1 0 245.326 0.845 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cc[nH]n2)C[C@@H]1C ZINC001054420498 710933680 /nfs/dbraw/zinc/93/36/80/710933680.db2.gz WIQZZMNKAUZZCS-ONGXEEELSA-N 1 0 234.303 0.646 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@@H]1C ZINC001054430582 710934114 /nfs/dbraw/zinc/93/41/14/710934114.db2.gz QGWBGQSTIXLKGJ-GXSJLCMTSA-N 1 0 233.271 0.358 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C ZINC001054997602 710943127 /nfs/dbraw/zinc/94/31/27/710943127.db2.gz QOUNZVRNXAMFBM-PWSUYJOCSA-N 1 0 249.314 0.840 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001000291850 710948677 /nfs/dbraw/zinc/94/86/77/710948677.db2.gz VYQUPTKVTHDFKC-LBPRGKRZSA-N 1 0 244.298 0.304 20 30 BCEDRO N#CCCNC(=O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000383249451 710979359 /nfs/dbraw/zinc/97/93/59/710979359.db2.gz QVGAAQLLLRXTPC-NSHDSACASA-N 1 0 239.319 0.111 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1CC ZINC000383610477 710984226 /nfs/dbraw/zinc/98/42/26/710984226.db2.gz MXIHZDFIAUQHDQ-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCN1C[C@H](NC(=O)c2ccn[nH]2)CC[C@H]1C ZINC001071366646 711190100 /nfs/dbraw/zinc/19/01/00/711190100.db2.gz QVDNXSKLLXVTNG-GHMZBOCLSA-N 1 0 246.314 0.626 20 30 BCEDRO CC[N@@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001072551729 711380449 /nfs/dbraw/zinc/38/04/49/711380449.db2.gz JCOYJBXAMIFEPD-SNVBAGLBSA-N 1 0 221.304 0.700 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)C#CC3CC3)C2)C1 ZINC001072716291 711394562 /nfs/dbraw/zinc/39/45/62/711394562.db2.gz NEWIPHGFXUIXIP-UHFFFAOYSA-N 1 0 242.322 0.567 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cnoc2)C1 ZINC001020500790 711457148 /nfs/dbraw/zinc/45/71/48/711457148.db2.gz NXWBLNSLBLKLMG-XYPYZODXSA-N 1 0 235.287 0.640 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC)nn2)C1 ZINC001020831866 711468374 /nfs/dbraw/zinc/46/83/74/711468374.db2.gz ALSHCRRNETXMGS-MGCOHNPYSA-N 1 0 249.318 0.334 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C)on2)C1 ZINC000971024163 711494627 /nfs/dbraw/zinc/49/46/27/711494627.db2.gz DQYSRNJLTCNUCU-NSHDSACASA-N 1 0 247.298 0.763 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC000971024959 711494761 /nfs/dbraw/zinc/49/47/61/711494761.db2.gz KZDUEHMPQWCYHE-RYUDHWBXSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cncnc2C)C1 ZINC001021856210 711507256 /nfs/dbraw/zinc/50/72/56/711507256.db2.gz STENKXHIVOZVBY-PHIMTYICSA-N 1 0 244.298 0.269 20 30 BCEDRO CCNC(NCC[C@H]1CC(=O)N(C)C1)=[NH+]CC ZINC000723386276 711509610 /nfs/dbraw/zinc/50/96/10/711509610.db2.gz AQNBKTFTADJAFZ-JTQLQIEISA-N 1 0 240.351 0.430 20 30 BCEDRO C[C@H](C#N)OCC[NH+]1CCSCC1 ZINC000308181517 711511708 /nfs/dbraw/zinc/51/17/08/711511708.db2.gz HNOCOZGMPTXECG-SECBINFHSA-N 1 0 200.307 0.964 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1ncc[nH]1 ZINC001038231416 711561094 /nfs/dbraw/zinc/56/10/94/711561094.db2.gz MKHOXFNMLAECRC-SNVBAGLBSA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cn2nccc2C)C1 ZINC001022789459 711594063 /nfs/dbraw/zinc/59/40/63/711594063.db2.gz JXHOSLOBRBQBTC-TXEJJXNPSA-N 1 0 248.330 0.614 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2[nH]cnc2C)C1 ZINC001023024671 711609089 /nfs/dbraw/zinc/60/90/89/711609089.db2.gz DXHIKXPVSNYEAL-PHIMTYICSA-N 1 0 248.330 0.683 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)Cc1cncc(C#N)c1 ZINC000721539444 711620144 /nfs/dbraw/zinc/62/01/44/711620144.db2.gz MAEAZWHIASVJKX-SNVBAGLBSA-N 1 0 246.314 0.767 20 30 BCEDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721556343 711624251 /nfs/dbraw/zinc/62/42/51/711624251.db2.gz KSAZQLFDYYTXTR-SKDRFNHKSA-N 1 0 217.272 0.908 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000725115298 711652605 /nfs/dbraw/zinc/65/26/05/711652605.db2.gz NYXUHPKYWYJKRB-NSHDSACASA-N 1 0 239.319 0.157 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)CC3CC3)[C@@H]2C1 ZINC001075479960 711656379 /nfs/dbraw/zinc/65/63/79/711656379.db2.gz MUAUSJHRRMRQEZ-QWHCGFSZSA-N 1 0 232.327 0.952 20 30 BCEDRO CC[C@H](C)[N@H+](CCO)CC(=O)NCCC#N ZINC000309328455 711674805 /nfs/dbraw/zinc/67/48/05/711674805.db2.gz RUPLFYSDQIEOFR-JTQLQIEISA-N 1 0 227.308 0.109 20 30 BCEDRO C#CC[N@H+](C)CCCNCc1cc[nH]n1 ZINC000328122080 711689923 /nfs/dbraw/zinc/68/99/23/711689923.db2.gz RKRJKONCQBEFIY-UHFFFAOYSA-N 1 0 206.293 0.454 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)c3ccc[nH]3)[C@@H]2C1 ZINC001075538184 711692370 /nfs/dbraw/zinc/69/23/70/711692370.db2.gz GXYLVNRHJAHFAB-WCQYABFASA-N 1 0 243.310 0.794 20 30 BCEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CCOCCC#N ZINC000395302440 711693934 /nfs/dbraw/zinc/69/39/34/711693934.db2.gz BCLCAGQNEPIQLM-NEPJUHHUSA-N 1 0 225.336 0.941 20 30 BCEDRO CCNC(NCCS(=O)(=O)C(C)C)=[NH+]CC ZINC000395797114 711697842 /nfs/dbraw/zinc/69/78/42/711697842.db2.gz CCKBPAJZQNWOCL-UHFFFAOYSA-N 1 0 249.380 0.385 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ccc(C#N)nn1 ZINC000396960314 711704307 /nfs/dbraw/zinc/70/43/07/711704307.db2.gz ZGGBSJLGMZMMMO-UHFFFAOYSA-N 1 0 229.287 0.137 20 30 BCEDRO C[C@@H]([NH3+])[C@@H]1CCCCN1C(=O)NCCC#N ZINC000334954367 711719488 /nfs/dbraw/zinc/71/94/88/711719488.db2.gz WOJXVVRRELSYQV-ZJUUUORDSA-N 1 0 224.308 0.811 20 30 BCEDRO CCNC(NCCc1cn(C)cn1)=[NH+]CC ZINC000313428734 711724319 /nfs/dbraw/zinc/72/43/19/711724319.db2.gz CEIHWIPNQWXWGF-UHFFFAOYSA-N 1 0 223.324 0.538 20 30 BCEDRO Fc1ccc2c(c1)OCC2=NNC1=[NH+]CCN1 ZINC000841661583 711738898 /nfs/dbraw/zinc/73/88/98/711738898.db2.gz YDZWTYPXJZYOFJ-UHFFFAOYSA-N 1 0 234.234 0.471 20 30 BCEDRO CN(C)C(=O)CC[NH+]1CCC(C#N)CC1 ZINC000057875836 711749707 /nfs/dbraw/zinc/74/97/07/711749707.db2.gz LHHCNZKOVUYXFZ-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO CN(C)C(=[NH2+])NCCC(=O)OC(C)(C)C ZINC000178569602 711760587 /nfs/dbraw/zinc/76/05/87/711760587.db2.gz AOWZIKIMKVMDFW-UHFFFAOYSA-N 1 0 215.297 0.595 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](C(C)(C)O)C1 ZINC000721831034 711778154 /nfs/dbraw/zinc/77/81/54/711778154.db2.gz DYTTVOZWJJXVJI-WDEREUQCSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cc[nH]n2)C1 ZINC000988165163 711792938 /nfs/dbraw/zinc/79/29/38/711792938.db2.gz JMWZDLFSMXFFMJ-NXEZZACHSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@H]2CCOC2)CC1 ZINC000179209361 711796366 /nfs/dbraw/zinc/79/63/66/711796366.db2.gz WWYFTBLZHYSNLR-LBPRGKRZSA-N 1 0 236.315 0.237 20 30 BCEDRO CC[NH2+][C@H]1C[C@H](C)N(C(=O)C#CC2CC2)C1 ZINC000988810315 711797252 /nfs/dbraw/zinc/79/72/52/711797252.db2.gz GSWQIVQVRFQXAN-JQWIXIFHSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)C1=COCCC1 ZINC001038116923 711800715 /nfs/dbraw/zinc/80/07/15/711800715.db2.gz SQKLEOCCPBJZMM-ZDUSSCGKSA-N 1 0 248.326 0.895 20 30 BCEDRO CC(C)(C#N)C[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905202280 711812602 /nfs/dbraw/zinc/81/26/02/711812602.db2.gz GWRQATCCGWXJEF-SECBINFHSA-N 1 0 212.293 0.402 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCN[C@@H](c2cnn(C)c2)C1 ZINC000913470509 711822703 /nfs/dbraw/zinc/82/27/03/711822703.db2.gz XYOLTOFLGMIUHR-MWLCHTKSSA-N 1 0 247.302 0.053 20 30 BCEDRO CCO[C@@H]1[C@H](C)[C@H]1C(=O)NCC#CC[NH+](C)C ZINC000913524440 711823401 /nfs/dbraw/zinc/82/34/01/711823401.db2.gz MQDIUNWXBGXTRC-IJLUTSLNSA-N 1 0 238.331 0.339 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)CCc1cccnc1 ZINC000913515853 711823731 /nfs/dbraw/zinc/82/37/31/711823731.db2.gz QELIXIPAXUZBTQ-UHFFFAOYSA-N 1 0 245.326 0.695 20 30 BCEDRO Cc1cc(C(=O)NCC#CC[NH+](C)C)nc(C)n1 ZINC000913520968 711823951 /nfs/dbraw/zinc/82/39/51/711823951.db2.gz GOCDBILNCXENLY-UHFFFAOYSA-N 1 0 246.314 0.388 20 30 BCEDRO CC(C)[C@@H]1C[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913521093 711824048 /nfs/dbraw/zinc/82/40/48/711824048.db2.gz KPKROJNBTXQKSL-RYUDHWBXSA-N 1 0 222.332 0.960 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cc(C=O)c[nH]1 ZINC000913522336 711824155 /nfs/dbraw/zinc/82/41/55/711824155.db2.gz FKTQBYSSIAATGY-UHFFFAOYSA-N 1 0 233.271 0.122 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn(CC)n2)C1 ZINC001015792383 711879431 /nfs/dbraw/zinc/87/94/31/711879431.db2.gz WDJBIOGTADLIKP-LLVKDONJSA-N 1 0 248.330 0.893 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2coc(C)n2)C1 ZINC001031628323 711880008 /nfs/dbraw/zinc/88/00/08/711880008.db2.gz HZBVDUIZNLLAML-UHFFFAOYSA-N 1 0 247.298 0.668 20 30 BCEDRO C#CC[N@H+]1CC[C@@]2(CCN(C(C)=O)C2)C1 ZINC001040966083 711901887 /nfs/dbraw/zinc/90/18/87/711901887.db2.gz QQZYFPXITSPGMJ-GFCCVEGCSA-N 1 0 206.289 0.564 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1ccn[nH]1 ZINC001032291611 711910872 /nfs/dbraw/zinc/91/08/72/711910872.db2.gz ONJYOCSHVNKIBP-QWRGUYRKSA-N 1 0 246.314 0.885 20 30 BCEDRO C=CCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001032782251 711938732 /nfs/dbraw/zinc/93/87/32/711938732.db2.gz ZNUKHCXBDTXCBI-AGIUHOORSA-N 1 0 249.358 0.409 20 30 BCEDRO CC1(C)C[NH2+]C[C@H]1Nc1ccnc(C#N)n1 ZINC000721944829 711945477 /nfs/dbraw/zinc/94/54/77/711945477.db2.gz UXELGGJHPCRMDC-MRVPVSSYSA-N 1 0 217.276 0.180 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)C2CCC2)C1 ZINC001032856782 711964967 /nfs/dbraw/zinc/96/49/67/711964967.db2.gz PRDLPCZKMZPKNT-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cnn(C)c2)C1 ZINC001032897092 711967176 /nfs/dbraw/zinc/96/71/76/711967176.db2.gz TZDHTYZGCIZQSE-GFCCVEGCSA-N 1 0 248.330 0.752 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)C(C)C)C1 ZINC001032927746 711968058 /nfs/dbraw/zinc/96/80/58/711968058.db2.gz BQWZHGDGKSWDAQ-LLVKDONJSA-N 1 0 208.305 0.808 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@H]1C=CCC1 ZINC000700562568 711996070 /nfs/dbraw/zinc/99/60/70/711996070.db2.gz OSBPEXDYFKHGHY-VHSXEESVSA-N 1 0 207.277 0.842 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2n[nH]nc2C)C1 ZINC001033320043 711982197 /nfs/dbraw/zinc/98/21/97/711982197.db2.gz YLHMLMNUPMTBPH-JTQLQIEISA-N 1 0 249.318 0.445 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@H]2C[C@@H]2C)C1 ZINC001033327512 711983536 /nfs/dbraw/zinc/98/35/36/711983536.db2.gz JLVJCYHLMFFYOI-SRVKXCTJSA-N 1 0 220.316 0.808 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccnnc2)C1 ZINC001033452641 711992020 /nfs/dbraw/zinc/99/20/20/711992020.db2.gz KDRICNNVDSSMGP-LBPRGKRZSA-N 1 0 246.314 0.809 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2ccncn2)C1 ZINC001033509322 711996467 /nfs/dbraw/zinc/99/64/67/711996467.db2.gz HKUHJVUBKSSIEQ-LLVKDONJSA-N 1 0 246.314 0.809 20 30 BCEDRO CNC(NCC(O)(C1CC1)C1CC1)=[NH+]C ZINC000701610721 712026178 /nfs/dbraw/zinc/02/61/78/712026178.db2.gz QTDZDQVMRMSHMC-UHFFFAOYSA-N 1 0 211.309 0.332 20 30 BCEDRO C#CCN1CCCC[C@@H](NC(=O)C(F)F)C1 ZINC001034062227 712038048 /nfs/dbraw/zinc/03/80/48/712038048.db2.gz FUKDXYNBTLUHTD-SECBINFHSA-N 1 0 230.258 0.855 20 30 BCEDRO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001034282838 712056673 /nfs/dbraw/zinc/05/66/73/712056673.db2.gz NIVUCOCXHQKXCV-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C[N@@H+]1CC[C@](O)(CNCC#Cc2ccccc2)C1 ZINC000702640054 712058030 /nfs/dbraw/zinc/05/80/30/712058030.db2.gz IIXMDSNOHYIQSW-HNNXBMFYSA-N 1 0 244.338 0.694 20 30 BCEDRO Cc1nc(C#N)cc(NC[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC000702653446 712058614 /nfs/dbraw/zinc/05/86/14/712058614.db2.gz QGGVEZOHTUWXAN-LBPRGKRZSA-N 1 0 247.302 0.135 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000702957842 712062282 /nfs/dbraw/zinc/06/22/82/712062282.db2.gz JAWYZTLBPRZQJV-JTQLQIEISA-N 1 0 230.333 0.023 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(c1cc(C#N)ncn1)C2 ZINC000703539007 712078057 /nfs/dbraw/zinc/07/80/57/712078057.db2.gz ULARHUKSWFXTIJ-JOYOIKCWSA-N 1 0 229.287 0.394 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(c1ccc(C#N)nc1)C2 ZINC000703618859 712081324 /nfs/dbraw/zinc/08/13/24/712081324.db2.gz HQBHYVQETFHAKW-GXFFZTMASA-N 1 0 228.299 0.999 20 30 BCEDRO C=CC[C@H]1CCCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000703700214 712084374 /nfs/dbraw/zinc/08/43/74/712084374.db2.gz BYPOBNFWRNGTJS-RYUDHWBXSA-N 1 0 239.363 0.690 20 30 BCEDRO N#Cc1ccc(CC(=O)NC[C@@H]2CCC[NH2+]2)cc1 ZINC000704666585 712114345 /nfs/dbraw/zinc/11/43/45/712114345.db2.gz YDQQBSYINWCWES-ZDUSSCGKSA-N 1 0 243.310 0.969 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]([NH+]2CCC2)C1 ZINC000705371229 712130593 /nfs/dbraw/zinc/13/05/93/712130593.db2.gz LLZGUCSJDITNQT-NXEZZACHSA-N 1 0 207.277 0.453 20 30 BCEDRO C=CCOCSc1nc(N)cc(N)n1 ZINC000707436406 712169991 /nfs/dbraw/zinc/16/99/91/712169991.db2.gz VSXIJKWOJNVZBQ-UHFFFAOYSA-N 1 0 212.278 0.893 20 30 BCEDRO C#CC[NH+](CC#C)CCCCC(=O)OC ZINC000707515117 712171446 /nfs/dbraw/zinc/17/14/46/712171446.db2.gz UDZDZKRXSLCQHF-UHFFFAOYSA-N 1 0 207.273 0.898 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@]2(OC)CCOC2)CC1 ZINC000708087686 712180938 /nfs/dbraw/zinc/18/09/38/712180938.db2.gz JUCQAQOQZFOSON-ZDUSSCGKSA-N 1 0 239.315 0.252 20 30 BCEDRO C#CC1(O)CC[NH+](CC2CCOCC2)CC1 ZINC000708115153 712181797 /nfs/dbraw/zinc/18/17/97/712181797.db2.gz JDJHPRGWWIGVNJ-UHFFFAOYSA-N 1 0 223.316 0.873 20 30 BCEDRO C#CC1(O)CC[NH+](CC(=O)N2CCCC2)CC1 ZINC000708136685 712182780 /nfs/dbraw/zinc/18/27/80/712182780.db2.gz JNNWQUNPKFPVDW-UHFFFAOYSA-N 1 0 236.315 0.069 20 30 BCEDRO C#CC1(O)CC[NH+](CC(=O)N(CC)CC)CC1 ZINC000708142368 712183064 /nfs/dbraw/zinc/18/30/64/712183064.db2.gz FGPXHSZUUCMGBW-UHFFFAOYSA-N 1 0 238.331 0.315 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2CN(C(=O)CC)CC[C@@H]21 ZINC001036608515 712223937 /nfs/dbraw/zinc/22/39/37/712223937.db2.gz MDRZLUIIUXDWBT-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]2CN(C(C)=O)CC[C@H]21 ZINC001036610791 712224609 /nfs/dbraw/zinc/22/46/09/712224609.db2.gz UOMVIMKXKCOMMQ-CHWSQXEVSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@@H](CC)[NH2+][C@H]1CCCS(=O)(=O)CC1 ZINC000709924540 712233841 /nfs/dbraw/zinc/23/38/41/712233841.db2.gz QKSRSVRQNAOEAU-QWRGUYRKSA-N 1 0 229.345 0.955 20 30 BCEDRO C#CCCCS(=O)(=O)N(C)CC[NH+](C)C ZINC000710049490 712243933 /nfs/dbraw/zinc/24/39/33/712243933.db2.gz IPPKDAKRKWQFEW-UHFFFAOYSA-N 1 0 232.349 0.223 20 30 BCEDRO C#CCCCS(=O)(=O)NC(C)(C)C[NH+](C)C ZINC000710145761 712246059 /nfs/dbraw/zinc/24/60/59/712246059.db2.gz VSVSAVSJOJEBKY-UHFFFAOYSA-N 1 0 246.376 0.659 20 30 BCEDRO C#CCCCS(=O)(=O)N[C@@H]1CCCN(C)C1 ZINC000710204940 712248101 /nfs/dbraw/zinc/24/81/01/712248101.db2.gz NBMDMXCFAFERQD-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO C=C(Cl)Cn1cc(CN(C)CCC[NH3+])nn1 ZINC000710693576 712255067 /nfs/dbraw/zinc/25/50/67/712255067.db2.gz CYMHJYHGWOYIMY-UHFFFAOYSA-N 1 0 243.742 0.811 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)C1CC[NH2+]CC1 ZINC000710883627 712261468 /nfs/dbraw/zinc/26/14/68/712261468.db2.gz WLEDXBFKSJMGOD-JTQLQIEISA-N 1 0 246.376 0.870 20 30 BCEDRO C#CCCS(=O)(=O)NC1CC([NH+](C)C)C1 ZINC000710996320 712273798 /nfs/dbraw/zinc/27/37/98/712273798.db2.gz GSMLAIWUIKIPFN-UHFFFAOYSA-N 1 0 230.333 0.022 20 30 BCEDRO C#CCCS(=O)(=O)N(C)CC[NH+]1CCCC1 ZINC000711064587 712278159 /nfs/dbraw/zinc/27/81/59/712278159.db2.gz CKZLMSNPYNJZJH-UHFFFAOYSA-N 1 0 244.360 0.367 20 30 BCEDRO C=CCNC(=O)N[C@]12CCC[C@@H]1[NH2+]CC2 ZINC000711697562 712318056 /nfs/dbraw/zinc/31/80/56/712318056.db2.gz KZQDLEIAYLCAQF-ONGXEEELSA-N 1 0 209.293 0.756 20 30 BCEDRO C=CCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000711697560 712318107 /nfs/dbraw/zinc/31/81/07/712318107.db2.gz KZQDLEIAYLCAQF-MWLCHTKSSA-N 1 0 209.293 0.756 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000923487903 712334286 /nfs/dbraw/zinc/33/42/86/712334286.db2.gz IQNXVRKSLZTWBO-WDEREUQCSA-N 1 0 239.319 0.028 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccncc2)C1 ZINC001079355852 712347978 /nfs/dbraw/zinc/34/79/78/712347978.db2.gz PMYBLPWELFHPNK-DGCLKSJQSA-N 1 0 243.310 0.765 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccon2)C1 ZINC001079459147 712348798 /nfs/dbraw/zinc/34/87/98/712348798.db2.gz FVMUNBNWYKPSRG-ZYHUDNBSSA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001079497619 712348942 /nfs/dbraw/zinc/34/89/42/712348942.db2.gz MPGJJBZJFVMKOJ-BXKDBHETSA-N 1 0 246.314 0.401 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001079497685 712349242 /nfs/dbraw/zinc/34/92/42/712349242.db2.gz QWFFOVURYFSELX-BXKDBHETSA-N 1 0 248.330 0.954 20 30 BCEDRO C=C(C)C[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001080018733 712352151 /nfs/dbraw/zinc/35/21/51/712352151.db2.gz JHBIVVARTKPHSJ-MWLCHTKSSA-N 1 0 249.318 0.431 20 30 BCEDRO CC[C@@H](CO)[N@H+](C)CCO[C@H](C)C#N ZINC000379068697 712369745 /nfs/dbraw/zinc/36/97/45/712369745.db2.gz YBHQCVIDDUQBGO-ZJUUUORDSA-N 1 0 200.282 0.618 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+]C(C)(C)CC(N)=O ZINC000379791916 712399258 /nfs/dbraw/zinc/39/92/58/712399258.db2.gz HIYZOVBIXNEQEC-QMMMGPOBSA-N 1 0 213.281 0.159 20 30 BCEDRO C#CCNC(=S)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000758260919 712408366 /nfs/dbraw/zinc/40/83/66/712408366.db2.gz YQVGWPSRPWJFJT-NSHDSACASA-N 1 0 239.388 0.768 20 30 BCEDRO C#CCNC(=S)N1CC[C@@H]([NH+](CC)CC)C1 ZINC000758255604 712408380 /nfs/dbraw/zinc/40/83/80/712408380.db2.gz GTBKCNXQXJCBIV-LLVKDONJSA-N 1 0 239.388 0.910 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNc1ccncc1C#N ZINC000712593228 712435292 /nfs/dbraw/zinc/43/52/92/712435292.db2.gz XCMVLWJJFCXZBJ-LLVKDONJSA-N 1 0 216.288 0.881 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnnn1)c1ccc(C#N)cc1 ZINC000712596418 712435893 /nfs/dbraw/zinc/43/58/93/712435893.db2.gz DOMDCJVPKLKKJI-SNVBAGLBSA-N 1 0 242.286 0.896 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNc1cnc(C#N)cn1 ZINC000712569115 712446971 /nfs/dbraw/zinc/44/69/71/712446971.db2.gz IVCVEILMQMOFCW-SNVBAGLBSA-N 1 0 217.276 0.854 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNc1nccnc1C#N ZINC000712571675 712447407 /nfs/dbraw/zinc/44/74/07/712447407.db2.gz YKRHHLSKBTXCPE-SECBINFHSA-N 1 0 217.276 0.854 20 30 BCEDRO C[NH+](C)C[C@]1(O)CCN(c2ccnc(C#N)c2)C1 ZINC000713646802 712468236 /nfs/dbraw/zinc/46/82/36/712468236.db2.gz DHWXWAIDPPIXDK-CYBMUJFWSA-N 1 0 246.314 0.456 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1cn(CC)nn1 ZINC000714928193 712500218 /nfs/dbraw/zinc/50/02/18/712500218.db2.gz NIMHZMIRZFDLNO-SNVBAGLBSA-N 1 0 224.308 0.715 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715120232 712510399 /nfs/dbraw/zinc/51/03/99/712510399.db2.gz IXDHPGSJAHFMJC-CSMHCCOUSA-N 1 0 231.246 0.587 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@@H]1[C@H](C[NH3+])C1(F)F ZINC000715137533 712514601 /nfs/dbraw/zinc/51/46/01/712514601.db2.gz IXDHPGSJAHFMJC-FXQIFTODSA-N 1 0 231.246 0.587 20 30 BCEDRO C#CCN(CC)C(=O)C12CC[NH+](CC1)C2 ZINC000715769704 712532530 /nfs/dbraw/zinc/53/25/30/712532530.db2.gz ODOJVQLGCMJILI-UHFFFAOYSA-N 1 0 206.289 0.564 20 30 BCEDRO C[C@H](CC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000715821808 712534007 /nfs/dbraw/zinc/53/40/07/712534007.db2.gz ZUSRQHBADNEBLM-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO N#CCCCCNC(=O)C12CC[NH+](CC1)C2 ZINC000715823115 712534140 /nfs/dbraw/zinc/53/41/40/712534140.db2.gz JQQRDOJYWOSTMT-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)COCC ZINC000716341286 712555263 /nfs/dbraw/zinc/55/52/63/712555263.db2.gz VPLMEUFSTMSBLM-QWRGUYRKSA-N 1 0 215.293 0.012 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000716374099 712557421 /nfs/dbraw/zinc/55/74/21/712557421.db2.gz GPADATPWHUBJBJ-IUCAKERBSA-N 1 0 239.237 0.928 20 30 BCEDRO C#CC[C@H](COC)NC(=O)CC[NH2+]C(C)(C)C ZINC000716414072 712559256 /nfs/dbraw/zinc/55/92/56/712559256.db2.gz WAPGNCCFJLGVRB-LLVKDONJSA-N 1 0 240.347 0.919 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)COCC(C)C ZINC000716836916 712577629 /nfs/dbraw/zinc/57/76/29/712577629.db2.gz DBGQIENCBYRKJZ-OLZOCXBDSA-N 1 0 243.347 0.648 20 30 BCEDRO CC#CCN(C)C(=O)COC1CC[NH+](C)CC1 ZINC000820820651 712590979 /nfs/dbraw/zinc/59/09/79/712590979.db2.gz UXIUSRXGQCMFDD-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000716935730 712597496 /nfs/dbraw/zinc/59/74/96/712597496.db2.gz QBDOPFKHWXIBRH-WDEREUQCSA-N 1 0 245.344 0.192 20 30 BCEDRO Cc1c(F)cccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834483863 712598469 /nfs/dbraw/zinc/59/84/69/712598469.db2.gz ARUVDVKSWJWUEG-CABZTGNLSA-N 1 0 247.273 0.976 20 30 BCEDRO Cc1c(F)cccc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834483864 712598565 /nfs/dbraw/zinc/59/85/65/712598565.db2.gz ARUVDVKSWJWUEG-JOYOIKCWSA-N 1 0 247.273 0.976 20 30 BCEDRO C#CCC[NH2+][C@](C)(COC)CC(=O)OC ZINC000379918004 712626790 /nfs/dbraw/zinc/62/67/90/712626790.db2.gz DYPAOMKFWKPIEP-NSHDSACASA-N 1 0 213.277 0.568 20 30 BCEDRO C=C(Cl)CN1CC[C@@H](N2CC[NH2+]CC2)C1 ZINC000379924125 712627775 /nfs/dbraw/zinc/62/77/75/712627775.db2.gz SVGHSFGFVWHKHJ-LLVKDONJSA-N 1 0 229.755 0.718 20 30 BCEDRO C=CCOCC[N@@H+]1CCC[C@@H]2CCNC(=O)[C@@H]21 ZINC000880523708 712633543 /nfs/dbraw/zinc/63/35/43/712633543.db2.gz KNGILGSRGCLKQG-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCOCCNC(=O)CC[NH2+]CC1CC1 ZINC000717218287 712639868 /nfs/dbraw/zinc/63/98/68/712639868.db2.gz UVUDHSHUZAPPOD-UHFFFAOYSA-N 1 0 226.320 0.695 20 30 BCEDRO C[C@H](O)[C@H](O)C[NH2+]Cc1cccc(C#N)c1 ZINC000717296270 712645579 /nfs/dbraw/zinc/64/55/79/712645579.db2.gz LYKFJDZICCLSJL-JOYOIKCWSA-N 1 0 220.272 0.390 20 30 BCEDRO Cc1ccnc(NC[C@H](O)C[NH+](C)C)c1C#N ZINC000717368307 712652412 /nfs/dbraw/zinc/65/24/12/712652412.db2.gz VGWMYSJKJCXTGL-JTQLQIEISA-N 1 0 234.303 0.596 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCN(OC)CC1 ZINC000717532341 712660644 /nfs/dbraw/zinc/66/06/44/712660644.db2.gz IRSDVBIDVCVEPD-SECBINFHSA-N 1 0 200.282 0.149 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccc(F)nc1 ZINC000717680337 712664253 /nfs/dbraw/zinc/66/42/53/712664253.db2.gz WNNHBGCTOXCJFY-UHFFFAOYSA-N 1 0 235.262 0.516 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccncc1F ZINC000717679677 712664248 /nfs/dbraw/zinc/66/42/48/712664248.db2.gz NPNKPAXSIZMTMC-UHFFFAOYSA-N 1 0 235.262 0.516 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cccc(O)c1O ZINC000717679931 712664415 /nfs/dbraw/zinc/66/44/15/712664415.db2.gz PLSZOFGOXXYWCB-UHFFFAOYSA-N 1 0 248.282 0.393 20 30 BCEDRO C[NH+](C)CCNC(=O)c1cccc(C#CCO)c1 ZINC000037567028 712665881 /nfs/dbraw/zinc/66/58/81/712665881.db2.gz NGKNRMPZWRUHOY-UHFFFAOYSA-N 1 0 246.310 0.322 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]CCCc1cnn(C)c1 ZINC000717763572 712674403 /nfs/dbraw/zinc/67/44/03/712674403.db2.gz GKHVTESBJDJMKS-CYBMUJFWSA-N 1 0 235.331 0.717 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H](C)c1cnccn1 ZINC000717778189 712675718 /nfs/dbraw/zinc/67/57/18/712675718.db2.gz YLVBRBPCXBCHME-VHSXEESVSA-N 1 0 205.261 0.511 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1CCN(C)[C@H](C)C1 ZINC000717795724 712678070 /nfs/dbraw/zinc/67/80/70/712678070.db2.gz UUALOVDAGIRADL-IJLUTSLNSA-N 1 0 210.321 0.443 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]C[C@@H]1CCCOC1 ZINC000717794529 712678096 /nfs/dbraw/zinc/67/80/96/712678096.db2.gz NNTUJJXTFSFGAK-RYUDHWBXSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccncc1C ZINC000717829362 712682204 /nfs/dbraw/zinc/68/22/04/712682204.db2.gz LJASDNZVSUHDSQ-GFCCVEGCSA-N 1 0 204.273 0.864 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(COC)o1 ZINC000717832937 712683468 /nfs/dbraw/zinc/68/34/68/712683468.db2.gz ZRQAPZIRWFDCCM-SNVBAGLBSA-N 1 0 223.272 0.900 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(COC)o1 ZINC000717832935 712683704 /nfs/dbraw/zinc/68/37/04/712683704.db2.gz ZRQAPZIRWFDCCM-JTQLQIEISA-N 1 0 223.272 0.900 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cccc(OC)n1 ZINC000717840303 712686719 /nfs/dbraw/zinc/68/67/19/712686719.db2.gz FZSZSHBGNBUQTA-LBPRGKRZSA-N 1 0 234.299 0.954 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1c(C)cnn1C ZINC000717840872 712691402 /nfs/dbraw/zinc/69/14/02/712691402.db2.gz LVLQYVAEPOBMQL-JTQLQIEISA-N 1 0 207.277 0.202 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1CCC[C@@H]1CC ZINC000380183227 712706553 /nfs/dbraw/zinc/70/65/53/712706553.db2.gz MPXDIJMUUKDXQE-QWRGUYRKSA-N 1 0 208.305 0.904 20 30 BCEDRO CC#CC[N@H+](C)C1CCN(C(C)=O)CC1 ZINC000930590533 712712866 /nfs/dbraw/zinc/71/28/66/712712866.db2.gz WAZKDPYOEXQMHD-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO CCCCOCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000195522663 712730643 /nfs/dbraw/zinc/73/06/43/712730643.db2.gz OSNULVBKQRSLTQ-LLVKDONJSA-N 1 0 243.351 0.886 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)C(F)(F)F ZINC000717894840 712731825 /nfs/dbraw/zinc/73/18/25/712731825.db2.gz GIFHGERVHONCGN-YUMQZZPRSA-N 1 0 225.210 0.274 20 30 BCEDRO C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000037888811 712781194 /nfs/dbraw/zinc/78/11/94/712781194.db2.gz QSOBVKIVTUFGET-JOYOIKCWSA-N 1 0 220.272 0.562 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000718986929 712792265 /nfs/dbraw/zinc/79/22/65/712792265.db2.gz GIKAMLXAUGSKEO-MNOVXSKESA-N 1 0 240.303 0.610 20 30 BCEDRO N#CCCOCC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000719091298 712797069 /nfs/dbraw/zinc/79/70/69/712797069.db2.gz MVTCFQDLWXIESN-LLVKDONJSA-N 1 0 240.303 0.611 20 30 BCEDRO N#CCCOCC[N@@H+]1CC[C@H](C2OCCO2)C1 ZINC000719091299 712797122 /nfs/dbraw/zinc/79/71/22/712797122.db2.gz MVTCFQDLWXIESN-NSHDSACASA-N 1 0 240.303 0.611 20 30 BCEDRO C[C@@H]1[C@H](Nc2ccnc(C#N)n2)CC[N@@H+]1C ZINC000719597146 712813593 /nfs/dbraw/zinc/81/35/93/712813593.db2.gz DLMNPYIALVBBKQ-RKDXNWHRSA-N 1 0 217.276 0.275 20 30 BCEDRO C[C@@H]1[C@H](Nc2cnc(C#N)cn2)CC[N@@H+]1C ZINC000719603901 712815863 /nfs/dbraw/zinc/81/58/63/712815863.db2.gz ULQQUWXGEBZZQK-PSASIEDQSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@@H]1[C@H](Nc2ccncc2C#N)CC[N@@H+]1C ZINC000719774528 712823944 /nfs/dbraw/zinc/82/39/44/712823944.db2.gz QVMCNJZOGHGVKY-MWLCHTKSSA-N 1 0 216.288 0.880 20 30 BCEDRO COC(C)(C)[C@@H](C)[NH2+]CC(=O)NCCC#N ZINC000720251806 712830006 /nfs/dbraw/zinc/83/00/06/712830006.db2.gz WOVATHALIFHLSL-SECBINFHSA-N 1 0 227.308 0.419 20 30 BCEDRO C[N@@H+]1CCC[C@@H]2[C@@H]1CCN2C(=O)CC#N ZINC000720817435 712868092 /nfs/dbraw/zinc/86/80/92/712868092.db2.gz RQXAKFWXUNKYQA-VHSXEESVSA-N 1 0 207.277 0.595 20 30 BCEDRO N#Cc1ccc([C@H](O)C[NH2+]C[C@H]2C[C@H](O)C2)cc1 ZINC000720937691 712880336 /nfs/dbraw/zinc/88/03/36/712880336.db2.gz WOSSVSRPYRBEFJ-MRVWCRGKSA-N 1 0 246.310 0.952 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@H]2C[C@H](O)C2)cc1 ZINC000720937692 712880560 /nfs/dbraw/zinc/88/05/60/712880560.db2.gz WOSSVSRPYRBEFJ-UBHSHLNASA-N 1 0 246.310 0.952 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)C1CC1 ZINC001037984813 712895397 /nfs/dbraw/zinc/89/53/97/712895397.db2.gz LSEASSQPLSSHMA-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1nccnc1C#N ZINC001164630592 719153887 /nfs/dbraw/zinc/15/38/87/719153887.db2.gz JKZCOUTVCKKMGY-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3ccc(C#N)cn3)C[C@@H]21 ZINC000153164412 719367276 /nfs/dbraw/zinc/36/72/76/719367276.db2.gz XFLAXDHCXIBSJS-RYUDHWBXSA-N 1 0 244.298 0.472 20 30 BCEDRO C[NH+](C)CC(C)(C)CNS(=O)(=O)CCC#N ZINC000332449277 136207696 /nfs/dbraw/zinc/20/76/96/136207696.db2.gz GIJWUORZPRUACO-UHFFFAOYSA-N 1 0 247.364 0.407 20 30 BCEDRO CC[C@H](C#N)NC(=O)C1(C[NH+](C)C)CC1 ZINC000602087122 349434250 /nfs/dbraw/zinc/43/42/50/349434250.db2.gz AKOWCXYBPYZBQZ-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)C[C@H](O)C1CC1 ZINC000160769280 538906093 /nfs/dbraw/zinc/90/60/93/538906093.db2.gz UTIHAJVXEQEOQV-KOLCDFICSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CC[C@H](C)NC(=O)NCC[N@@H+](C)CCOC ZINC000116955893 136207518 /nfs/dbraw/zinc/20/75/18/136207518.db2.gz GYGVRJIBWURSCV-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO C=C[C@@H]1CCCCN1C(=O)NCC[NH2+]C ZINC000418335609 192025588 /nfs/dbraw/zinc/02/55/88/192025588.db2.gz VUZAETPDUUGZJT-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC(C)(C#N)C1 ZINC000602143910 349451818 /nfs/dbraw/zinc/45/18/18/349451818.db2.gz WBNSWXWNANUVNQ-JTQLQIEISA-N 1 0 221.304 0.843 20 30 BCEDRO C[C@H]1C[N@H+](CCC(=O)N(C)CCC#N)CCO1 ZINC000034673971 136212157 /nfs/dbraw/zinc/21/21/57/136212157.db2.gz IJGPEDDIKRLIKY-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH+]1C2CCC1CC2 ZINC000602148835 349454200 /nfs/dbraw/zinc/45/42/00/349454200.db2.gz BZIWAEPDBMJHRN-UHFFFAOYSA-N 1 0 237.303 0.625 20 30 BCEDRO C[NH+](C)CC1(C(=O)NCCCC#N)CC1 ZINC000602131108 349457890 /nfs/dbraw/zinc/45/78/90/349457890.db2.gz PWYRGWHCYBWNGI-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000602172803 349459707 /nfs/dbraw/zinc/45/97/07/349459707.db2.gz PXFNJDMTWPUHTA-BBBLOLIVSA-N 1 0 223.320 0.991 20 30 BCEDRO C=C[C@@H](NC1C[C@H]2CC[C@@H](C1)[N@H+]2C)C(=O)OC ZINC000322392974 343977730 /nfs/dbraw/zinc/97/77/30/343977730.db2.gz QZWYZJQPFPXPQV-FGNRJIRKSA-N 1 0 238.331 0.929 20 30 BCEDRO C=C[C@H]1CCCCN1C(=O)NCC[NH2+]C ZINC000418335608 192025763 /nfs/dbraw/zinc/02/57/63/192025763.db2.gz VUZAETPDUUGZJT-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC[C@H]1OC ZINC000378703348 346811453 /nfs/dbraw/zinc/81/14/53/346811453.db2.gz ONJUVHBZNWEVMN-NXEZZACHSA-N 1 0 212.293 0.446 20 30 BCEDRO CC#CCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000418350285 192026756 /nfs/dbraw/zinc/02/67/56/192026756.db2.gz YKVQYCRSRYMFFN-SNVBAGLBSA-N 1 0 209.293 0.309 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+]1CCO[C@@](C)(COC)C1 ZINC000626175983 346814874 /nfs/dbraw/zinc/81/48/74/346814874.db2.gz CZOXCWJZNUWEQU-VXGBXAGGSA-N 1 0 229.320 0.661 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)[C@H]1CCCO1 ZINC000273146398 398148767 /nfs/dbraw/zinc/14/87/67/398148767.db2.gz GLNHGLFQBRJDPW-WDEREUQCSA-N 1 0 224.304 0.283 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000649336390 398153301 /nfs/dbraw/zinc/15/33/01/398153301.db2.gz VUYALKIXIFOISR-WDEREUQCSA-N 1 0 226.320 0.511 20 30 BCEDRO CC[C@H](C)[C@@H](O)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424140396 398172686 /nfs/dbraw/zinc/17/26/86/398172686.db2.gz ODPSOMLIPUZOIK-AXFHLTTASA-N 1 0 241.335 0.531 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CN(C2CC2)C[C@H]1C ZINC000309109187 136217700 /nfs/dbraw/zinc/21/77/00/136217700.db2.gz JBZFQJDBPZESAK-CKYFFXLPSA-N 1 0 210.321 0.606 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]([NH3+])CCC)nn1 ZINC000424206246 398175357 /nfs/dbraw/zinc/17/53/57/398175357.db2.gz HJAHZYGWCVPEGT-SNVBAGLBSA-N 1 0 237.307 0.208 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000424206112 398175395 /nfs/dbraw/zinc/17/53/95/398175395.db2.gz GQDOLAMQJPUSMW-GVXVVHGQSA-N 1 0 238.331 0.693 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]([NH3+])CCC ZINC000424206236 398175742 /nfs/dbraw/zinc/17/57/42/398175742.db2.gz HHROHKGATZIBPR-DCAQKATOSA-N 1 0 226.320 0.821 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(=O)NC ZINC000424292313 398180567 /nfs/dbraw/zinc/18/05/67/398180567.db2.gz GLAZSJYIJKJDPK-VWYCJHECSA-N 1 0 226.320 0.692 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@](C)(O)c1ccccc1 ZINC000178589556 136217433 /nfs/dbraw/zinc/21/74/33/136217433.db2.gz WXZJYXZURPCFGQ-LBPRGKRZSA-N 1 0 221.304 0.770 20 30 BCEDRO CC#CC[N@H+](C)CCC(=O)N1CCOCC1 ZINC000339752096 398162861 /nfs/dbraw/zinc/16/28/61/398162861.db2.gz JHBYQPRVXMQFRW-UHFFFAOYSA-N 1 0 224.304 0.190 20 30 BCEDRO C#C[C@@H](C)[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000274776260 398164625 /nfs/dbraw/zinc/16/46/25/398164625.db2.gz KPLKNMSIOWADRV-ZYHUDNBSSA-N 1 0 216.284 0.694 20 30 BCEDRO N#CCCCC[N@H+]1CC[C@@H](CO)[C@H](O)C1 ZINC000576332759 365568168 /nfs/dbraw/zinc/56/81/68/365568168.db2.gz OJZVRFXMPOMTRG-WDEREUQCSA-N 1 0 212.293 0.355 20 30 BCEDRO N#Cc1ncn(C[C@H]2CC[C@H](C[NH3+])CC2)n1 ZINC000576820672 398212989 /nfs/dbraw/zinc/21/29/89/398212989.db2.gz VUFSUWHKUCITHT-MGCOHNPYSA-N 1 0 219.292 0.915 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](OC)[C@@H](C)C1 ZINC000650001009 398213164 /nfs/dbraw/zinc/21/31/64/398213164.db2.gz PNSFSWVDKMCRLB-RYUDHWBXSA-N 1 0 211.305 0.993 20 30 BCEDRO CC(C)CC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000576447430 365596543 /nfs/dbraw/zinc/59/65/43/365596543.db2.gz DXSJWQFSBVHKIZ-LBPRGKRZSA-N 1 0 227.352 0.828 20 30 BCEDRO C[C@@H](C(=O)N(C)CCC#N)[NH+]1CC(C)C1 ZINC000576409378 365590084 /nfs/dbraw/zinc/59/00/84/365590084.db2.gz RIQBAKCDQAQBKL-JTQLQIEISA-N 1 0 209.293 0.699 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CCC[C@H]1C ZINC000076116284 398226583 /nfs/dbraw/zinc/22/65/83/398226583.db2.gz ORFKBQJGFIANBU-SECBINFHSA-N 1 0 225.292 0.483 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000418387932 192031957 /nfs/dbraw/zinc/03/19/57/192031957.db2.gz UJRNAFWTHXOXAE-MNOVXSKESA-N 1 0 241.335 0.222 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@@H](C)C[NH2+]C ZINC000418402861 192033871 /nfs/dbraw/zinc/03/38/71/192033871.db2.gz ZNLVPGSLRCVYEP-QWRGUYRKSA-N 1 0 243.351 0.468 20 30 BCEDRO C=C[C@](C)(CC)C(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000629916814 361773802 /nfs/dbraw/zinc/77/38/02/361773802.db2.gz WROWAOJCBWSZRL-WCQYABFASA-N 1 0 240.347 0.772 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@H](CO)C1 ZINC000092797584 398238023 /nfs/dbraw/zinc/23/80/23/398238023.db2.gz SJERNWINUBNGAT-NSHDSACASA-N 1 0 239.319 0.063 20 30 BCEDRO N#CC1(C(=O)N2CCC[C@@H]([NH3+])C2)CCC1 ZINC000602422861 349530374 /nfs/dbraw/zinc/53/03/74/349530374.db2.gz UUPMBPULBVORBO-SECBINFHSA-N 1 0 207.277 0.630 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]2CCC[NH2+]2)CCC1 ZINC000602428031 349533162 /nfs/dbraw/zinc/53/31/62/349533162.db2.gz MVNLWAQVMVWJRW-VIFPVBQESA-N 1 0 207.277 0.548 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000602427146 349533251 /nfs/dbraw/zinc/53/32/51/349533251.db2.gz BXRFMSYXICVSAG-VIFPVBQESA-N 1 0 221.304 0.924 20 30 BCEDRO N#CC1(C(=O)N2CCC[NH2+]CC2)CCC1 ZINC000602424856 349532698 /nfs/dbraw/zinc/53/26/98/349532698.db2.gz MKXVKYFLSYGBFG-UHFFFAOYSA-N 1 0 207.277 0.502 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCOC1CCOCC1 ZINC000625564232 343994950 /nfs/dbraw/zinc/99/49/50/343994950.db2.gz SGUVDNIFZIXHRU-SNVBAGLBSA-N 1 0 215.293 0.319 20 30 BCEDRO CC[N@H+](C)CCNC(=O)NCC1(C#N)CC1 ZINC000576534209 365621639 /nfs/dbraw/zinc/62/16/39/365621639.db2.gz ZXUAMRHNHUYHDP-UHFFFAOYSA-N 1 0 224.308 0.541 20 30 BCEDRO C[C@@H]1CN(C(=O)C2(C#N)CCC2)C[C@@H](C)[NH2+]1 ZINC000602433040 349536982 /nfs/dbraw/zinc/53/69/82/349536982.db2.gz KNZVNZFWSLDNJV-NXEZZACHSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@@H]([NH2+]CCC#N)[C@@H](C)N1CCOCC1 ZINC000576627749 365642462 /nfs/dbraw/zinc/64/24/62/365642462.db2.gz CTOIWAPKIKWJFC-GHMZBOCLSA-N 1 0 211.309 0.599 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]2CCC[NH2+]C2)CCC1 ZINC000602434293 349537822 /nfs/dbraw/zinc/53/78/22/349537822.db2.gz UUAUZOQJEUXUSQ-SNVBAGLBSA-N 1 0 221.304 0.796 20 30 BCEDRO C[C@@H]1CN(C(=O)C2(C#N)CCC2)CC[C@H]1[NH3+] ZINC000602434332 349538130 /nfs/dbraw/zinc/53/81/30/349538130.db2.gz PTNMLCLPSOZOBF-NXEZZACHSA-N 1 0 221.304 0.876 20 30 BCEDRO C[NH2+][C@H]1CC(=O)N(c2ccc(C#N)cc2)C1=O ZINC000576714222 365667485 /nfs/dbraw/zinc/66/74/85/365667485.db2.gz WUBOTIRWBPMOIV-JTQLQIEISA-N 1 0 229.239 0.410 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(c2ccnc(C#N)n2)C1 ZINC000576718090 365668772 /nfs/dbraw/zinc/66/87/72/365668772.db2.gz QRLFQKJNHKSFJU-JTQLQIEISA-N 1 0 231.303 0.736 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NCC[NH2+]CCC ZINC000418466949 192038343 /nfs/dbraw/zinc/03/83/43/192038343.db2.gz DYSWMLJFNPCVKK-LLVKDONJSA-N 1 0 243.351 0.470 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@H](C)[NH+](C)C ZINC000294416351 398262201 /nfs/dbraw/zinc/26/22/01/398262201.db2.gz PNHGWRCMUQXXRM-VHSXEESVSA-N 1 0 212.293 0.091 20 30 BCEDRO CCC[C@H](C[NH+]1CCN(CC#N)CC1)OC ZINC000602455973 349553526 /nfs/dbraw/zinc/55/35/26/349553526.db2.gz VCHSMPZGGSHYRU-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO Cc1ccc(C#N)c(N2C[C@H](O)[C@@H]([NH+](C)C)C2)n1 ZINC000292363558 178362696 /nfs/dbraw/zinc/36/26/96/178362696.db2.gz OZGLMEOESQEXIO-RYUDHWBXSA-N 1 0 246.314 0.373 20 30 BCEDRO CO[C@@](C)(C[NH+]1CCN(CC#N)CC1)C1CC1 ZINC000602456695 349554734 /nfs/dbraw/zinc/55/47/34/349554734.db2.gz ZJJLVLSLCUMDTN-ZDUSSCGKSA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCN(CC=C)C(=O)NC[C@H](C)C[NH3+] ZINC000418471438 192039181 /nfs/dbraw/zinc/03/91/81/192039181.db2.gz MFWPYQMFDFIXID-SNVBAGLBSA-N 1 0 211.309 0.965 20 30 BCEDRO Cc1ccc(C#N)cc1S(=O)(=O)NCC[NH3+] ZINC000069977173 178366985 /nfs/dbraw/zinc/36/69/85/178366985.db2.gz MYJBBAYOGKSOPA-UHFFFAOYSA-N 1 0 239.300 0.104 20 30 BCEDRO CCC(C#N)(CC)C(=O)NCC1C[NH2+]C1 ZINC000602484430 349566231 /nfs/dbraw/zinc/56/62/31/349566231.db2.gz MNIHEGSQUYPTNX-UHFFFAOYSA-N 1 0 209.293 0.652 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@H](C)C[NH3+] ZINC000418476691 192039511 /nfs/dbraw/zinc/03/95/11/192039511.db2.gz TYEIZNAXCDHLHO-NXEZZACHSA-N 1 0 229.324 0.065 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@@H](C)C[NH3+] ZINC000418476693 192039635 /nfs/dbraw/zinc/03/96/35/192039635.db2.gz TYEIZNAXCDHLHO-VHSXEESVSA-N 1 0 229.324 0.065 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C1(C#N)CCC1 ZINC000602485551 349568017 /nfs/dbraw/zinc/56/80/17/349568017.db2.gz NFLXWBWMQJTNSI-NXEZZACHSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)C2(C#N)CCC2)CC[NH2+]1 ZINC000602493218 349571968 /nfs/dbraw/zinc/57/19/68/349571968.db2.gz QYWMSLAIHWFFHE-NXEZZACHSA-N 1 0 221.304 0.937 20 30 BCEDRO C[C@@H]([NH3+])[C@H](C)NC(=O)C1(C#N)CC2(CC2)C1 ZINC000602496204 349558867 /nfs/dbraw/zinc/55/88/67/349558867.db2.gz PWVVVHUMCPPSTL-BDAKNGLRSA-N 1 0 221.304 0.922 20 30 BCEDRO CC[C@@H]([NH3+])CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000602496331 349558910 /nfs/dbraw/zinc/55/89/10/349558910.db2.gz RILPPXZNTSAMRD-SECBINFHSA-N 1 0 221.304 0.924 20 30 BCEDRO C[C@H]([NH3+])C[C@H](C)NC(=O)C1(C#N)CCC1 ZINC000602514418 349586877 /nfs/dbraw/zinc/58/68/77/349586877.db2.gz MSLYERGULFOIIQ-IUCAKERBSA-N 1 0 209.293 0.922 20 30 BCEDRO CC[NH2+][C@H](C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000602514785 349587037 /nfs/dbraw/zinc/58/70/37/349587037.db2.gz LZJSIQGIGOIESU-KXUCPTDWSA-N 1 0 209.293 0.793 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C2=CC[C@H]([NH3+])C2)C1 ZINC000602514782 349587243 /nfs/dbraw/zinc/58/72/43/349587243.db2.gz LZHDBSHBCJBUGO-INTQDDNPSA-N 1 0 219.288 0.842 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@@H](C)CS(C)(=O)=O ZINC000602544281 349588872 /nfs/dbraw/zinc/58/88/72/349588872.db2.gz HGHBRRHBATXFOQ-ZJUUUORDSA-N 1 0 232.349 0.949 20 30 BCEDRO CO[C@H](C[NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000602537573 349603587 /nfs/dbraw/zinc/60/35/87/349603587.db2.gz GLOYPXIDIFUYKV-CYBMUJFWSA-N 1 0 237.347 0.989 20 30 BCEDRO CC[NH2+][C@H](C)C(=O)N1CC[C@@](C)(C#N)C1 ZINC000602536414 349603699 /nfs/dbraw/zinc/60/36/99/349603699.db2.gz SVGYHEHHMPVNHH-KOLCDFICSA-N 1 0 209.293 0.747 20 30 BCEDRO N#CC1(C(=O)NCCOCCC[NH3+])CCC1 ZINC000602552812 349594499 /nfs/dbraw/zinc/59/44/99/349594499.db2.gz PXPFYVARHMRAMR-UHFFFAOYSA-N 1 0 225.292 0.162 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@@H](C)C[NH3+] ZINC000418489468 192041762 /nfs/dbraw/zinc/04/17/62/192041762.db2.gz LTIIKRYUCWRDSR-UWVGGRQHSA-N 1 0 229.324 0.208 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NCC[NH2+]CCC ZINC000418489935 192041798 /nfs/dbraw/zinc/04/17/98/192041798.db2.gz PCBXITCHSKWQBY-NSHDSACASA-N 1 0 243.351 0.612 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@H](C)C[NH3+] ZINC000418489467 192041857 /nfs/dbraw/zinc/04/18/57/192041857.db2.gz LTIIKRYUCWRDSR-NXEZZACHSA-N 1 0 229.324 0.208 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)NCC(C)(C)C#N ZINC000335603420 136235926 /nfs/dbraw/zinc/23/59/26/136235926.db2.gz IFQULHWKUWUIPV-ZJUUUORDSA-N 1 0 238.335 0.833 20 30 BCEDRO CCNC(=O)C[NH2+]C1CCC(C#N)CC1 ZINC000602587728 349612852 /nfs/dbraw/zinc/61/28/52/349612852.db2.gz STAKYNXKITXVJI-UHFFFAOYSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@H](C#N)C[NH2+]CC(C)(C)N1CCOCC1 ZINC000309609792 342744290 /nfs/dbraw/zinc/74/42/90/342744290.db2.gz ZPEKFJFTPMFVHY-LLVKDONJSA-N 1 0 225.336 0.846 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000602592057 349615100 /nfs/dbraw/zinc/61/51/00/349615100.db2.gz HKYUAQDVTHNZPR-SCZZXKLOSA-N 1 0 207.277 0.794 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)COCC(C)C ZINC000321006199 342749160 /nfs/dbraw/zinc/74/91/60/342749160.db2.gz LMQPRBNPWHADTH-VXGBXAGGSA-N 1 0 231.336 0.547 20 30 BCEDRO COC(=O)CC[C@@H]([NH3+])C(=O)N(C)[C@@H](C)CC#N ZINC000602593385 349615655 /nfs/dbraw/zinc/61/56/55/349615655.db2.gz NSHVKNSDKQCSPI-DTWKUNHWSA-N 1 0 241.291 0.027 20 30 BCEDRO CCOC(=O)N[C@H](CNC(=[NH2+])NC)CC(C)C ZINC000066245581 342729749 /nfs/dbraw/zinc/72/97/49/342729749.db2.gz NYVXGHQUOBEIDG-VIFPVBQESA-N 1 0 244.339 0.681 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000616384515 342749716 /nfs/dbraw/zinc/74/97/16/342749716.db2.gz RYACBIPKYPSMES-JQWIXIFHSA-N 1 0 226.320 0.476 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCC(C)(C)C#N ZINC000335603419 136236066 /nfs/dbraw/zinc/23/60/66/136236066.db2.gz IFQULHWKUWUIPV-VHSXEESVSA-N 1 0 238.335 0.833 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)COC(C)C ZINC000321417411 342759156 /nfs/dbraw/zinc/75/91/56/342759156.db2.gz KBOXGROWFLYSCU-QWRGUYRKSA-N 1 0 217.309 0.299 20 30 BCEDRO C=CC[C@@H]1CCC[N@@H+](CCS(=O)(=O)NC)C1 ZINC000621315388 342778532 /nfs/dbraw/zinc/77/85/32/342778532.db2.gz DNNWMIDTQUIIMJ-LLVKDONJSA-N 1 0 246.376 0.824 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1CCC[C@@H]1C[NH3+] ZINC000418459685 192043510 /nfs/dbraw/zinc/04/35/10/192043510.db2.gz JUPCKSJKRCYUSP-AEJSXWLSSA-N 1 0 211.309 0.988 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418548129 192044021 /nfs/dbraw/zinc/04/40/21/192044021.db2.gz JQNXRUMRFHVZJB-UTLUCORTSA-N 1 0 211.309 0.858 20 30 BCEDRO OCC(CO)[NH2+]CC#Cc1cccc(Cl)c1 ZINC000518211448 398285388 /nfs/dbraw/zinc/28/53/88/398285388.db2.gz GXFVAPJMPJPUFR-UHFFFAOYSA-N 1 0 239.702 0.634 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NCC1([NH3+])CCC1 ZINC000418507878 192044757 /nfs/dbraw/zinc/04/47/57/192044757.db2.gz JIKRHHFRRGNPLP-SNVBAGLBSA-N 1 0 241.335 0.352 20 30 BCEDRO CN(C(=O)[C@H]1CCC[NH2+]1)[C@H]1CCC[C@@H]1C#N ZINC000602601775 349624979 /nfs/dbraw/zinc/62/49/79/349624979.db2.gz LEXBUZXSOHJQOJ-MXWKQRLJSA-N 1 0 221.304 0.889 20 30 BCEDRO CC#CCN1CCC[C@H](NS(C)(=O)=O)C1 ZINC000157673794 342814905 /nfs/dbraw/zinc/81/49/05/342814905.db2.gz AURQZGHSWWLRBP-JTQLQIEISA-N 1 0 230.333 0.023 20 30 BCEDRO CN1CC[NH2+]C[C@@H]1CNc1ncccc1C#N ZINC000394726367 342815124 /nfs/dbraw/zinc/81/51/24/342815124.db2.gz IJWMGZLGYWNSTQ-LLVKDONJSA-N 1 0 231.303 0.269 20 30 BCEDRO C=CCCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000348775012 136238576 /nfs/dbraw/zinc/23/85/76/136238576.db2.gz LCPNODFVBZPLPN-LBPRGKRZSA-N 1 0 210.321 0.969 20 30 BCEDRO C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000602602111 349624737 /nfs/dbraw/zinc/62/47/37/349624737.db2.gz MLWMSESAJSLOSA-KXUCPTDWSA-N 1 0 209.293 0.732 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000348777238 136238867 /nfs/dbraw/zinc/23/88/67/136238867.db2.gz UQUHKKWPVPIERO-CHWSQXEVSA-N 1 0 240.347 0.330 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@@H](C#N)C2CC2)C1 ZINC000336470458 342806546 /nfs/dbraw/zinc/80/65/46/342806546.db2.gz AZUWBVQTBAGLBJ-ZJUUUORDSA-N 1 0 207.277 0.356 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@H](C)C[NH2+]C)C(=O)OC ZINC000602603289 349626334 /nfs/dbraw/zinc/62/63/34/349626334.db2.gz XLNJAONMSKGODZ-ZJUUUORDSA-N 1 0 242.319 0.466 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)N[C@H](C)CC[NH3+] ZINC000418515574 192046291 /nfs/dbraw/zinc/04/62/91/192046291.db2.gz BQVKRGIQTAWJIR-NXEZZACHSA-N 1 0 229.324 0.350 20 30 BCEDRO C=C(C)C[C@H](NC(=O)C[C@H](C)[NH3+])C(=O)OC ZINC000602602582 349625646 /nfs/dbraw/zinc/62/56/46/349625646.db2.gz UZRDGLWNXCTCRM-IUCAKERBSA-N 1 0 228.292 0.348 20 30 BCEDRO CN(C(=O)COCC[NH3+])[C@@H]1CCC[C@H]1C#N ZINC000602603062 349625661 /nfs/dbraw/zinc/62/56/61/349625661.db2.gz PRDSXPMMLFMHNB-VHSXEESVSA-N 1 0 225.292 0.112 20 30 BCEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CCc1nnnn1C ZINC000381235943 538996891 /nfs/dbraw/zinc/99/68/91/538996891.db2.gz LYWKWQFDNXMBQO-ZJUUUORDSA-N 1 0 223.324 0.943 20 30 BCEDRO C=C(C)CNC(=O)NCC[NH2+]CCOC ZINC000418515220 192046565 /nfs/dbraw/zinc/04/65/65/192046565.db2.gz XVQYYHNZNPLCDV-UHFFFAOYSA-N 1 0 215.297 0.098 20 30 BCEDRO CC#CCN(C)C(=O)NCC1([NH3+])CCC1 ZINC000418527220 192047464 /nfs/dbraw/zinc/04/74/64/192047464.db2.gz PGHDTIYCXMARCV-UHFFFAOYSA-N 1 0 209.293 0.533 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CCN(C)C[C@@H]1C ZINC000335860802 398300727 /nfs/dbraw/zinc/30/07/27/398300727.db2.gz DZEGXNXAODFRKV-JQWIXIFHSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C(C)CNC(=O)NCC1=CC[NH2+]CC1 ZINC000418534841 192049002 /nfs/dbraw/zinc/04/90/02/192049002.db2.gz BVKCFJTXWLXCQL-UHFFFAOYSA-N 1 0 209.293 0.781 20 30 BCEDRO C[C@@H](CNc1ccnc(C#N)n1)C[NH+](C)C ZINC000309753330 342866140 /nfs/dbraw/zinc/86/61/40/342866140.db2.gz LASLYYDUBMMDAY-VIFPVBQESA-N 1 0 219.292 0.958 20 30 BCEDRO CC(C)(C#N)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000602607955 349631207 /nfs/dbraw/zinc/63/12/07/349631207.db2.gz NTJJLYKVSODMFO-SECBINFHSA-N 1 0 209.293 0.794 20 30 BCEDRO CO[C@H](C[NH2+]C[C@H](C)C#N)[C@@H]1CCOC1 ZINC000602608928 349632633 /nfs/dbraw/zinc/63/26/33/349632633.db2.gz ZUNFFLUDOVYPED-GMTAPVOTSA-N 1 0 212.293 0.787 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000602610570 349634400 /nfs/dbraw/zinc/63/44/00/349634400.db2.gz BQCSJTSESMXZRT-STQMWFEESA-N 1 0 237.347 0.943 20 30 BCEDRO CO[C@H](C[NH2+]C[C@@H](C)C#N)[C@@H]1CCOC1 ZINC000602608929 349632744 /nfs/dbraw/zinc/63/27/44/349632744.db2.gz ZUNFFLUDOVYPED-HBNTYKKESA-N 1 0 212.293 0.787 20 30 BCEDRO CC#CCN1CCCC[C@H](S(C)(=O)=O)C1 ZINC000336483451 398320481 /nfs/dbraw/zinc/32/04/81/398320481.db2.gz LQPSTKQDONMGTH-NSHDSACASA-N 1 0 229.345 0.909 20 30 BCEDRO Cc1cc(C#N)cnc1C(=O)N(C)CC[NH+](C)C ZINC000556483925 398320550 /nfs/dbraw/zinc/32/05/50/398320550.db2.gz YCRVWVPXNUWNIN-UHFFFAOYSA-N 1 0 246.314 0.895 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CC(C)(C#N)C1 ZINC000584002406 342899706 /nfs/dbraw/zinc/89/97/06/342899706.db2.gz YVHVDLZKDQCLAZ-JTQLQIEISA-N 1 0 211.309 0.144 20 30 BCEDRO C[C@@H]1CN(c2cc(C#N)ccn2)CC[N@@H+]1CCO ZINC000343040333 342906632 /nfs/dbraw/zinc/90/66/32/342906632.db2.gz FUMQAKHWGPNCQY-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO C[C@@H](CO)[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000218151399 398325894 /nfs/dbraw/zinc/32/58/94/398325894.db2.gz ULEGPZNFKNPRNH-GXFFZTMASA-N 1 0 234.299 0.904 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000418581909 192053083 /nfs/dbraw/zinc/05/30/83/192053083.db2.gz MKFDFDREVTUZCC-GARJFASQSA-N 1 0 241.335 0.493 20 30 BCEDRO CCN(CCO)CC[NH2+]C[C@H](C)CCC#N ZINC000602619568 349640754 /nfs/dbraw/zinc/64/07/54/349640754.db2.gz OXQIAVBAIQZWJV-GFCCVEGCSA-N 1 0 227.352 0.830 20 30 BCEDRO C[NH2+][C@@H](C)C(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000602601423 349647649 /nfs/dbraw/zinc/64/76/49/349647649.db2.gz LEVWZAIEIXMVDS-IVZWLZJFSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H]1[NH2+]CC1(C)C ZINC000602594519 349643329 /nfs/dbraw/zinc/64/33/29/349643329.db2.gz YIUFBOMVLWQYHP-BDAKNGLRSA-N 1 0 209.293 0.745 20 30 BCEDRO C=C(C)C[C@H](NC(=O)[C@@H](C)C[NH3+])C(=O)OC ZINC000602598357 349644955 /nfs/dbraw/zinc/64/49/55/349644955.db2.gz BOUXXWDNMFLMDZ-IUCAKERBSA-N 1 0 228.292 0.205 20 30 BCEDRO CN(C(=O)C[NH2+]C1CC1)[C@@H]1CCC[C@H]1C#N ZINC000602599927 349646108 /nfs/dbraw/zinc/64/61/08/349646108.db2.gz CRWZZFQWNHQUBV-GXSJLCMTSA-N 1 0 221.304 0.889 20 30 BCEDRO C=C(C)C[C@H](NC(=O)CC(C)(C)[NH3+])C(=O)OC ZINC000602599815 349646185 /nfs/dbraw/zinc/64/61/85/349646185.db2.gz LHFSZXSMWHQBRV-VIFPVBQESA-N 1 0 242.319 0.738 20 30 BCEDRO C[C@@H]([NH2+]C[C@@H](C)CCC#N)C(=O)NCCF ZINC000602653287 349660165 /nfs/dbraw/zinc/66/01/65/349660165.db2.gz OHNYBSVDDHILEA-VHSXEESVSA-N 1 0 229.299 0.990 20 30 BCEDRO CO[C@@H](C[NH2+]CC1(C#N)CC1)[C@H]1CCOC1 ZINC000602643754 349655969 /nfs/dbraw/zinc/65/59/69/349655969.db2.gz STALTSDGBHIBAR-QWRGUYRKSA-N 1 0 224.304 0.931 20 30 BCEDRO CO[C@H](C[NH2+]CC1(C#N)CC1)[C@@H]1CCOC1 ZINC000602643752 349656011 /nfs/dbraw/zinc/65/60/11/349656011.db2.gz STALTSDGBHIBAR-GHMZBOCLSA-N 1 0 224.304 0.931 20 30 BCEDRO C=C1CC(C)(C(=O)N2C[C@H](O)[C@@H]([NH+](C)C)C2)C1 ZINC000633150965 398330300 /nfs/dbraw/zinc/33/03/00/398330300.db2.gz LRDUFAKFGUJHDU-QWRGUYRKSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCOCC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000565005913 398337719 /nfs/dbraw/zinc/33/77/19/398337719.db2.gz VWRLDWDDSXUSLG-RKDXNWHRSA-N 1 0 200.282 0.431 20 30 BCEDRO CCS(=O)(=O)C[C@@H](C)[NH2+]CCCC#N ZINC000308628405 346893650 /nfs/dbraw/zinc/89/36/50/346893650.db2.gz XWZZESATJWGZJQ-SECBINFHSA-N 1 0 218.322 0.703 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCN(CCO)C[C@H]1C ZINC000602686119 349677914 /nfs/dbraw/zinc/67/79/14/349677914.db2.gz OWXWLWWODZTVBE-CHWSQXEVSA-N 1 0 239.363 0.925 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)c1ccc(C#N)cc1 ZINC000082577025 398342011 /nfs/dbraw/zinc/34/20/11/398342011.db2.gz FVHINENCIZDXAJ-MRVPVSSYSA-N 1 0 203.245 0.635 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[NH2+]C2(CCC2)C1 ZINC000648184048 398343422 /nfs/dbraw/zinc/34/34/22/398343422.db2.gz USHWDEKCIIBAQG-NSHDSACASA-N 1 0 238.331 0.980 20 30 BCEDRO CC[C@@H](C#N)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601028153 398344613 /nfs/dbraw/zinc/34/46/13/398344613.db2.gz FFKYIUUBVFLOKW-NSHDSACASA-N 1 0 249.318 0.477 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[NH2+]C12CCCC2 ZINC000648208544 398344890 /nfs/dbraw/zinc/34/48/90/398344890.db2.gz ABCWTRYUCZWAEE-LLVKDONJSA-N 1 0 238.331 0.980 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085614343 346898012 /nfs/dbraw/zinc/89/80/12/346898012.db2.gz GNIWYEOIMMNOKB-VHSXEESVSA-N 1 0 241.360 0.842 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+][C@@H]2CCCNC(=O)C2)C1 ZINC000602693289 349690017 /nfs/dbraw/zinc/69/00/17/349690017.db2.gz FGKGAEMERAMCAY-HBNTYKKESA-N 1 0 221.304 0.937 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+]CC1(C#N)CCC1 ZINC000602696102 349692268 /nfs/dbraw/zinc/69/22/68/349692268.db2.gz CXWAMJIEWWKDBB-SNVBAGLBSA-N 1 0 219.292 0.950 20 30 BCEDRO CC(C)[N@H+](C[C@H](C)CCC#N)C[C@H](O)CO ZINC000602695624 349692488 /nfs/dbraw/zinc/69/24/88/349692488.db2.gz BJNMCCYPGKQOQS-NEPJUHHUSA-N 1 0 228.336 0.990 20 30 BCEDRO CC(C)[N@@H+](C[C@@H](O)CO)C[C@@H](C)CCC#N ZINC000602695625 349692686 /nfs/dbraw/zinc/69/26/86/349692686.db2.gz BJNMCCYPGKQOQS-NWDGAFQWSA-N 1 0 228.336 0.990 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CCC[C@@H]2CCO2)C1 ZINC000602697386 349693405 /nfs/dbraw/zinc/69/34/05/349693405.db2.gz PESZHLKSDLIQSS-NEPJUHHUSA-N 1 0 224.304 0.906 20 30 BCEDRO CN1C(=O)CC[C@H]([NH2+]C2CCC(C#N)CC2)C1=O ZINC000602692416 349689101 /nfs/dbraw/zinc/68/91/01/349689101.db2.gz NINATBXKLUJGMK-ILDUYXDCSA-N 1 0 249.314 0.806 20 30 BCEDRO COc1cc(CNC2=[NH+]CCN2C)ccc1C#N ZINC000262283841 536712200 /nfs/dbraw/zinc/71/22/00/536712200.db2.gz JQEGHQFDHFTMDI-UHFFFAOYSA-N 1 0 244.298 0.958 20 30 BCEDRO C=C(C)CC[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000351830940 136256287 /nfs/dbraw/zinc/25/62/87/136256287.db2.gz APLQWJDBDOQBOM-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO Cc1nnc(NC(=O)[C@H]2CN(C)CCO2)n1C ZINC000329728711 136256294 /nfs/dbraw/zinc/25/62/94/136256294.db2.gz FPEPERABPQXILS-MRVPVSSYSA-N 1 0 239.279 0.042 20 30 BCEDRO N#CC1CCC([NH2+][C@@H]2CCNC2=O)CC1 ZINC000602704025 349698368 /nfs/dbraw/zinc/69/83/68/349698368.db2.gz AOQJCHPXJLGYLM-UDNWOFFPSA-N 1 0 207.277 0.547 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCC[C@H]1NS(C)(=O)=O ZINC000309072171 259336079 /nfs/dbraw/zinc/33/60/79/259336079.db2.gz FIMMXKQIXDFCGP-NXEZZACHSA-N 1 0 230.333 0.070 20 30 BCEDRO COC[C@@H](C)C[NH+]1CCN(CCC#N)CC1 ZINC000602747532 349711459 /nfs/dbraw/zinc/71/14/59/349711459.db2.gz AAOURUALLADMHD-LBPRGKRZSA-N 1 0 225.336 0.800 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccc(C(=O)OCC)[nH]1 ZINC000602720265 349712516 /nfs/dbraw/zinc/71/25/16/349712516.db2.gz ABMPZQWCSXDXIC-SECBINFHSA-N 1 0 238.287 0.828 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1COCCN1C ZINC000602724110 349714285 /nfs/dbraw/zinc/71/42/85/349714285.db2.gz GXVTVGJDVYZVLZ-NEPJUHHUSA-N 1 0 225.336 0.846 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CC(=O)NC ZINC000309100213 133456318 /nfs/dbraw/zinc/45/63/18/133456318.db2.gz GJQOHUKDTVTURK-VHSXEESVSA-N 1 0 214.309 0.285 20 30 BCEDRO C#CCNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000272614618 166180831 /nfs/dbraw/zinc/18/08/31/166180831.db2.gz IFQGJFWHZGFGTG-SNVBAGLBSA-N 1 0 221.304 0.569 20 30 BCEDRO C[C@H](CC#N)N(C)C[C@@H]1CCc2ncnn21 ZINC000602789819 349752338 /nfs/dbraw/zinc/75/23/38/349752338.db2.gz ZQHJUMBMDRUZTH-ZJUUUORDSA-N 1 0 219.292 0.999 20 30 BCEDRO C[C@@H]1CN(CC2(CC#N)CC2)CC[N@@H+]1CCO ZINC000602810606 349755055 /nfs/dbraw/zinc/75/50/55/349755055.db2.gz HCHULCWWEZIKKT-GFCCVEGCSA-N 1 0 237.347 0.679 20 30 BCEDRO N#CCC1(C[N@@H+]2CCN3CCOC[C@@H]3C2)CC1 ZINC000602811796 349756083 /nfs/dbraw/zinc/75/60/83/349756083.db2.gz YGSRMCIFFIECJW-LBPRGKRZSA-N 1 0 235.331 0.697 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@H](O)Cn1cccn1 ZINC000602861945 349773497 /nfs/dbraw/zinc/77/34/97/349773497.db2.gz JTQPQIVOWFYRFH-ZJUUUORDSA-N 1 0 208.265 0.136 20 30 BCEDRO C=C(C)CC[N@@H+]1C[C@H](C(N)=O)O[C@@H](C)C1 ZINC000351878010 136261741 /nfs/dbraw/zinc/26/17/41/136261741.db2.gz QSIGMYVBBDBPKO-VHSXEESVSA-N 1 0 212.293 0.527 20 30 BCEDRO Cc1cc(NC(=O)CN[C@@H](C)CC#N)n(C)n1 ZINC000602859798 349770932 /nfs/dbraw/zinc/77/09/32/349770932.db2.gz AROPJIARYUNUOZ-QMMMGPOBSA-N 1 0 235.291 0.559 20 30 BCEDRO C[C@H](CC#N)[NH2+]CCCS(=O)(=O)N(C)C ZINC000602860184 349771768 /nfs/dbraw/zinc/77/17/68/349771768.db2.gz BUQKPIFEOPMSOV-SECBINFHSA-N 1 0 233.337 0.160 20 30 BCEDRO CO[C@H](C)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602856089 349788697 /nfs/dbraw/zinc/78/86/97/349788697.db2.gz YKINWYXNZRSMGJ-GRYCIOLGSA-N 1 0 225.336 0.939 20 30 BCEDRO CC#CCNC(=O)NC[C@@]1(COC)CCC[NH2+]1 ZINC000418634385 192058785 /nfs/dbraw/zinc/05/87/85/192058785.db2.gz JJAWMKDBQYACJP-GFCCVEGCSA-N 1 0 239.319 0.078 20 30 BCEDRO C[C@@H]1C[N@@H+](CCn2cccn2)C[C@H](C)N1CC#N ZINC000602850701 349785687 /nfs/dbraw/zinc/78/56/87/349785687.db2.gz RRLRBIXBEDYHHU-BETUJISGSA-N 1 0 247.346 0.801 20 30 BCEDRO COCCC[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602853075 349787159 /nfs/dbraw/zinc/78/71/59/349787159.db2.gz GNPQDJUQDQHKIP-TXEJJXNPSA-N 1 0 225.336 0.941 20 30 BCEDRO C[C@@H]1OCC[C@@H]1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000602853315 349787235 /nfs/dbraw/zinc/78/72/35/349787235.db2.gz XFQKVFFNGABNRU-TUAOUCFPSA-N 1 0 224.304 0.762 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)[C@H]1CCC[C@@H]1O ZINC000352687985 136264304 /nfs/dbraw/zinc/26/43/04/136264304.db2.gz ANVQWBFKDDHGBH-DCAQKATOSA-N 1 0 226.320 0.522 20 30 BCEDRO C=C(C)CNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418655698 192058983 /nfs/dbraw/zinc/05/89/83/192058983.db2.gz OCRHQPIBLOACMZ-LBPRGKRZSA-N 1 0 241.335 0.630 20 30 BCEDRO C[N@@H+]1CCC[C@@H](CNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000175606029 343066893 /nfs/dbraw/zinc/06/68/93/343066893.db2.gz QTSDVIFSVWBPBM-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO C=CCNC(=O)[C@H](C)n1cc(C[NH2+]CC)nn1 ZINC000640883125 362069250 /nfs/dbraw/zinc/06/92/50/362069250.db2.gz BDZSCHXJYXYWDP-VIFPVBQESA-N 1 0 237.307 0.251 20 30 BCEDRO C=CCN(CC=C)C(=O)Cn1cc(C[NH2+]C)nn1 ZINC000640791673 362040697 /nfs/dbraw/zinc/04/06/97/362040697.db2.gz DQFKTIFJJBVPRH-UHFFFAOYSA-N 1 0 249.318 0.198 20 30 BCEDRO C=C(C)Cn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000640803596 362051320 /nfs/dbraw/zinc/05/13/20/362051320.db2.gz MKNLURULKRGPQZ-UHFFFAOYSA-N 1 0 235.335 0.602 20 30 BCEDRO C=CCCN(C)C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000418670661 192059817 /nfs/dbraw/zinc/05/98/17/192059817.db2.gz LIUZONQSNKTDLT-MYJAWHEDSA-N 1 0 209.293 0.422 20 30 BCEDRO C=CCCOCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362957749 136269009 /nfs/dbraw/zinc/26/90/09/136269009.db2.gz KUSJBQXKXKTYHA-NEPJUHHUSA-N 1 0 240.347 0.893 20 30 BCEDRO C=C(C)CN(CCOC)CC(=O)N(C)C ZINC000051920985 343117975 /nfs/dbraw/zinc/11/79/75/343117975.db2.gz RWOWIOMIADUPTF-UHFFFAOYSA-N 1 0 214.309 0.599 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@H](O)COC[C@H]1CCCO1 ZINC000602865123 349796801 /nfs/dbraw/zinc/79/68/01/349796801.db2.gz TXHLMVJZSNZNRA-GRYCIOLGSA-N 1 0 242.319 0.435 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@H](O)COC[C@@H]1CCCO1 ZINC000602865131 349797227 /nfs/dbraw/zinc/79/72/27/349797227.db2.gz TXHLMVJZSNZNRA-WOPDTQHZSA-N 1 0 242.319 0.435 20 30 BCEDRO C=CCCCCn1cc(C[C@H]([NH3+])CO)nn1 ZINC000640939741 362078685 /nfs/dbraw/zinc/07/86/85/362078685.db2.gz VVEMSVGFPSOITB-JTQLQIEISA-N 1 0 224.308 0.497 20 30 BCEDRO C[C@H](CNC(=O)[C@@H](C)C#N)C[NH+]1CCCC1 ZINC000062079193 136271972 /nfs/dbraw/zinc/27/19/72/136271972.db2.gz HBVKDQNCWBWFAO-MNOVXSKESA-N 1 0 223.320 0.994 20 30 BCEDRO Cc1ccoc1CNC(=[NH2+])N1CCOCC1 ZINC000262699819 136281266 /nfs/dbraw/zinc/28/12/66/136281266.db2.gz JYNJYWATKRWQGQ-UHFFFAOYSA-N 1 0 223.276 0.735 20 30 BCEDRO C[NH+]=C(NCCn1ccnc1)NCC1CCC1 ZINC000262694405 136281308 /nfs/dbraw/zinc/28/13/08/136281308.db2.gz FXMOPQDZZJMECT-UHFFFAOYSA-N 1 0 235.335 0.848 20 30 BCEDRO C[C@@H](CC#N)[NH2+]C[C@H]1CCNC(=O)CC1 ZINC000602871428 349802464 /nfs/dbraw/zinc/80/24/64/349802464.db2.gz RBJBVFHUBCPFBF-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCOCCn1cc([C@@H]([NH3+])CC)nn1 ZINC000641029179 362144114 /nfs/dbraw/zinc/14/41/14/362144114.db2.gz AQJMALFOXBWNOI-VIFPVBQESA-N 1 0 210.281 0.891 20 30 BCEDRO C=CCN(CCOC)C[C@@H](O)C[N@H+](C)C1CC1 ZINC000336713965 136278370 /nfs/dbraw/zinc/27/83/70/136278370.db2.gz OTAXCZLGSITWEF-ZDUSSCGKSA-N 1 0 242.363 0.576 20 30 BCEDRO C[C@@H](C#N)CN(C(=O)C[NH+](C)C)C1CC1 ZINC000339014285 136279665 /nfs/dbraw/zinc/27/96/65/136279665.db2.gz PIEVZVNLKKNWAW-VIFPVBQESA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@H](C#N)NC(=O)C[NH+]1[C@@H](C)CC[C@@H]1C ZINC000340437545 136289627 /nfs/dbraw/zinc/28/96/27/136289627.db2.gz VXYVERKQXDWMMV-UTLUCORTSA-N 1 0 209.293 0.887 20 30 BCEDRO Cn1cc([C@@H](CO)[NH2+]CCC(C)(C)C#N)cn1 ZINC000275182563 136285427 /nfs/dbraw/zinc/28/54/27/136285427.db2.gz NLNRZLFFAAMAGO-LLVKDONJSA-N 1 0 236.319 0.983 20 30 BCEDRO Cc1cc(C#N)ccc1C[NH+](CCO)CCO ZINC000165447949 343350084 /nfs/dbraw/zinc/35/00/84/343350084.db2.gz HXDRLAPUNJZEDF-UHFFFAOYSA-N 1 0 234.299 0.653 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]([C@H](C)[NH3+])C1 ZINC000166223761 136309191 /nfs/dbraw/zinc/30/91/91/136309191.db2.gz IKNWPIRIOVCHPZ-GARJFASQSA-N 1 0 225.336 0.346 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)CCNC(=O)N(C)C ZINC000348953126 136310280 /nfs/dbraw/zinc/31/02/80/136310280.db2.gz XNTCAIMERREDPT-NSHDSACASA-N 1 0 243.351 0.517 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000669555259 488215807 /nfs/dbraw/zinc/21/58/07/488215807.db2.gz MBBWCPHQTOKURB-WDEREUQCSA-N 1 0 241.335 0.486 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000669555230 488215842 /nfs/dbraw/zinc/21/58/42/488215842.db2.gz JZOOARJCQRMCBD-JTQLQIEISA-N 1 0 227.308 0.226 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000669555179 488215876 /nfs/dbraw/zinc/21/58/76/488215876.db2.gz FXCIWDPHYUDJMB-NSHDSACASA-N 1 0 241.335 0.488 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000669555256 488215951 /nfs/dbraw/zinc/21/59/51/488215951.db2.gz MBBWCPHQTOKURB-GHMZBOCLSA-N 1 0 241.335 0.486 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000669555272 488215987 /nfs/dbraw/zinc/21/59/87/488215987.db2.gz MUUBFQLERJHNCY-SNVBAGLBSA-N 1 0 227.308 0.240 20 30 BCEDRO CN(CC[NH+]1CCCC1)c1cc(C#N)ncn1 ZINC000310244520 343400606 /nfs/dbraw/zinc/40/06/06/343400606.db2.gz CFVZMQXODYUWIW-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C=CCOCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000669555271 488216162 /nfs/dbraw/zinc/21/61/62/488216162.db2.gz MUUBFQLERJHNCY-JTQLQIEISA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000335692197 136325721 /nfs/dbraw/zinc/32/57/21/136325721.db2.gz CXTBIDRQCWMBKH-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO N#Cc1nccc(N[C@@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000310281891 343408948 /nfs/dbraw/zinc/40/89/48/343408948.db2.gz PRZLEBFOJDDMJW-SECBINFHSA-N 1 0 229.287 0.997 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000669555387 488216736 /nfs/dbraw/zinc/21/67/36/488216736.db2.gz UUYBHALRMDROPB-GHMZBOCLSA-N 1 0 241.335 0.486 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[C@@H]1C[NH2+]CCO1 ZINC000085620138 346940056 /nfs/dbraw/zinc/94/00/56/346940056.db2.gz MNFXXIHYVWMUNE-VHSXEESVSA-N 1 0 225.292 0.125 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CCN(C)[C@@H](C)[C@@H]1C ZINC000335850526 136355263 /nfs/dbraw/zinc/35/52/63/136355263.db2.gz HFGKGCZXEPMWHJ-QWRGUYRKSA-N 1 0 246.376 0.917 20 30 BCEDRO C[N@H+](CCNC(=O)N[C@@H]1CCCOC1)C1CC1 ZINC000329326378 136364773 /nfs/dbraw/zinc/36/47/73/136364773.db2.gz JGMDHFNABBQRKW-SNVBAGLBSA-N 1 0 241.335 0.763 20 30 BCEDRO N#CCC1(O)CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000329314728 136364786 /nfs/dbraw/zinc/36/47/86/136364786.db2.gz CMHIIXVUNUQQEK-LLVKDONJSA-N 1 0 249.314 0.100 20 30 BCEDRO C=CCN1CC[C@H](n2cc(CCC[NH3+])nn2)C1=O ZINC000641107722 362228109 /nfs/dbraw/zinc/22/81/09/362228109.db2.gz DOQDZBFKKIDRCJ-NSHDSACASA-N 1 0 249.318 0.129 20 30 BCEDRO C=C(C)C[N@@H+](C)CCC(=O)N(C)CC(=O)OC ZINC000351096113 136367643 /nfs/dbraw/zinc/36/76/43/136367643.db2.gz GODKIIQVCKHXJX-UHFFFAOYSA-N 1 0 242.319 0.516 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCO[C@@H](C)C2)N1 ZINC000262670285 136374559 /nfs/dbraw/zinc/37/45/59/136374559.db2.gz QQJJMHBGNIOBJK-KXUCPTDWSA-N 1 0 211.309 0.739 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H]2CCO[C@H](C)C2)N1 ZINC000262670283 136374674 /nfs/dbraw/zinc/37/46/74/136374674.db2.gz QQJJMHBGNIOBJK-BBBLOLIVSA-N 1 0 211.309 0.739 20 30 BCEDRO CO[C@@]1(CNC(=[NH2+])N(C)C2CC2)CCOC1 ZINC000262674167 136374725 /nfs/dbraw/zinc/37/47/25/136374725.db2.gz QNVCWSPGERYKAH-LLVKDONJSA-N 1 0 227.308 0.201 20 30 BCEDRO N#CCCOCCSc1nc(N)cc(N)[nH+]1 ZINC000292704100 136375848 /nfs/dbraw/zinc/37/58/48/136375848.db2.gz QVIFQEQWZIBZGM-UHFFFAOYSA-N 1 0 239.304 0.663 20 30 BCEDRO CN(CC[NH+]1CCCC1)c1ncncc1C#N ZINC000310425889 343490466 /nfs/dbraw/zinc/49/04/66/343490466.db2.gz PURWULYBVDZLBT-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000616566220 343511476 /nfs/dbraw/zinc/51/14/76/343511476.db2.gz JPDFSAKCLBWLNT-ZDUSSCGKSA-N 1 0 240.347 0.868 20 30 BCEDRO CO[C@H](C[NH3+])C(=O)NCc1ccc(CC#N)cc1 ZINC000580553559 365758517 /nfs/dbraw/zinc/75/85/17/365758517.db2.gz IDAJEUJCNYAHEC-GFCCVEGCSA-N 1 0 247.298 0.343 20 30 BCEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1ccnc(C#N)n1 ZINC000310549172 343529334 /nfs/dbraw/zinc/52/93/34/343529334.db2.gz FUIMVEWGEYWDNH-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1c1ccnc(C#N)n1 ZINC000310549176 343530139 /nfs/dbraw/zinc/53/01/39/343530139.db2.gz FUIMVEWGEYWDNH-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000616696661 343541526 /nfs/dbraw/zinc/54/15/26/343541526.db2.gz FQHXYWXXVFZSIC-UMNHJUIQSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CCCCNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000580551243 365755672 /nfs/dbraw/zinc/75/56/72/365755672.db2.gz GTHLIHMFNJOWDO-ZJUUUORDSA-N 1 0 241.335 0.311 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N(C)CC1C[NH+](C)C1 ZINC000618190897 343559258 /nfs/dbraw/zinc/55/92/58/343559258.db2.gz KZDVJZGNCJUAIA-LBPRGKRZSA-N 1 0 226.320 0.334 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](C)[C@H](O)C1 ZINC000388232397 537788696 /nfs/dbraw/zinc/78/86/96/537788696.db2.gz YKLHWABBKIAEIT-NWDGAFQWSA-N 1 0 240.347 0.724 20 30 BCEDRO C[NH+](C)C[C@@H]1CCCN1c1cc(C#N)ncn1 ZINC000379876856 343647205 /nfs/dbraw/zinc/64/72/05/343647205.db2.gz SNFJMVXIMWLCGZ-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO N#Cc1cnc(N[C@@H]2CC[N@@H+](C3CC3)C2)cn1 ZINC000071178037 343625357 /nfs/dbraw/zinc/62/53/57/343625357.db2.gz YRJCSCMAEPKBGC-SECBINFHSA-N 1 0 229.287 0.997 20 30 BCEDRO C[C@H](CCC#N)[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000602936367 349824402 /nfs/dbraw/zinc/82/44/02/349824402.db2.gz PIHUUYZQGJNMOW-OASPWFOLSA-N 1 0 249.314 0.663 20 30 BCEDRO C[C@]12C[NH+](CC3(C#N)CC3)C[C@]1(C)C(=O)NC2=O ZINC000602937860 349824573 /nfs/dbraw/zinc/82/45/73/349824573.db2.gz UQDWBXSKRXJXMD-VXGBXAGGSA-N 1 0 247.298 0.275 20 30 BCEDRO C[C@H]1C[C@H](Nc2ccnc(C#N)n2)CC[N@@H+]1C ZINC000380067738 343675932 /nfs/dbraw/zinc/67/59/32/343675932.db2.gz ZHPBBGCDETXGRQ-VHSXEESVSA-N 1 0 231.303 0.665 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCO[C@H](C)C1 ZINC000054172566 343656390 /nfs/dbraw/zinc/65/63/90/343656390.db2.gz FRVDPQKIHHAISD-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO COCC[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000380007691 343668885 /nfs/dbraw/zinc/66/88/85/343668885.db2.gz LMBJAHICPOLDJR-SNVBAGLBSA-N 1 0 214.309 0.865 20 30 BCEDRO COC(=O)[C@@H](C)C[N@H+](C)CCOCCC#N ZINC000338915640 343691992 /nfs/dbraw/zinc/69/19/92/343691992.db2.gz YUMFPEYIGOVWQB-JTQLQIEISA-N 1 0 228.292 0.658 20 30 BCEDRO C[C@H]1CC[C@H](C(N)=O)C[N@@H+]1CCOCCC#N ZINC000338961135 343692472 /nfs/dbraw/zinc/69/24/72/343692472.db2.gz OLXKELQUZFUDHK-QWRGUYRKSA-N 1 0 239.319 0.502 20 30 BCEDRO COC(=O)[C@@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000338957076 343692633 /nfs/dbraw/zinc/69/26/33/343692633.db2.gz XZRCSYJLDVDOSO-LLVKDONJSA-N 1 0 240.303 0.802 20 30 BCEDRO CC#CCC[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634711108 343701073 /nfs/dbraw/zinc/70/10/73/343701073.db2.gz JIWSIMUSNHYRHD-STQMWFEESA-N 1 0 225.332 0.901 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634711645 343701643 /nfs/dbraw/zinc/70/16/43/343701643.db2.gz RZEIKWVOTQWRRJ-QWHCGFSZSA-N 1 0 243.347 0.691 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@@H](O)CC1 ZINC000339786976 343702965 /nfs/dbraw/zinc/70/29/65/343702965.db2.gz JDHXMDYNIFRWJA-LLVKDONJSA-N 1 0 212.293 0.763 20 30 BCEDRO C[N@H+](C[C@H](O)Cn1cccn1)[C@H]1CCC[C@H]1C#N ZINC000602975993 349839891 /nfs/dbraw/zinc/83/98/91/349839891.db2.gz JNDGSFLCPQWPQF-AVGNSLFASA-N 1 0 248.330 0.868 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634715624 343707644 /nfs/dbraw/zinc/70/76/44/343707644.db2.gz HCARMQNPKCOIBB-LBPRGKRZSA-N 1 0 243.347 0.835 20 30 BCEDRO COCC1(C[NH2+]CCC#N)CCOCC1 ZINC000584227848 343775466 /nfs/dbraw/zinc/77/54/66/343775466.db2.gz MPXGHWPRBNXYRA-UHFFFAOYSA-N 1 0 212.293 0.933 20 30 BCEDRO CC(=O)Nc1cccc(CNC(N)=[NH2+])c1 ZINC000196287853 343751701 /nfs/dbraw/zinc/75/17/01/343751701.db2.gz UFIGPGLXIWWOHK-UHFFFAOYSA-N 1 0 206.249 0.418 20 30 BCEDRO N#Cc1ccc(CC(=O)NC[C@H]2CCC[NH2+]2)cn1 ZINC000602427128 343753467 /nfs/dbraw/zinc/75/34/67/343753467.db2.gz BOOVBBUSWKDNFH-GFCCVEGCSA-N 1 0 244.298 0.364 20 30 BCEDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1ccc(C#N)cn1 ZINC000576644394 343755271 /nfs/dbraw/zinc/75/52/71/343755271.db2.gz DJQBWDOSRCUCII-SKDRFNHKSA-N 1 0 217.272 0.908 20 30 BCEDRO C=CCOCCCC(=O)NCCC[NH2+]C ZINC000121321246 349856217 /nfs/dbraw/zinc/85/62/17/349856217.db2.gz CPSLJAWZYZGTFM-UHFFFAOYSA-N 1 0 214.309 0.695 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)N2c1nc(N)[nH+]c(N)n1 ZINC000624409468 343760856 /nfs/dbraw/zinc/76/08/56/343760856.db2.gz DFMDRGBDXNQBDT-OCAPTIKFSA-N 1 0 232.291 0.384 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCN(CCC#N)CC1 ZINC000603015422 349857137 /nfs/dbraw/zinc/85/71/37/349857137.db2.gz BJTFEMOKCBEVMU-LBPRGKRZSA-N 1 0 223.320 0.455 20 30 BCEDRO N#CCCCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000603052921 349861977 /nfs/dbraw/zinc/86/19/77/349861977.db2.gz PLFOSSALKONRBM-LLVKDONJSA-N 1 0 239.319 0.253 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CCN1CCOC[C@@H]1C#N ZINC000179251001 346978543 /nfs/dbraw/zinc/97/85/43/346978543.db2.gz HBADQBUMRDHXDB-NEPJUHHUSA-N 1 0 223.320 0.695 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000603087023 349865495 /nfs/dbraw/zinc/86/54/95/349865495.db2.gz NHXOUKVCDZSBNR-NHCYSSNCSA-N 1 0 224.304 0.354 20 30 BCEDRO C[N@H+](CCCSCC#N)CC(=O)NC1CC1 ZINC000173863316 529896548 /nfs/dbraw/zinc/89/65/48/529896548.db2.gz NLWZMTXPVVCJSW-UHFFFAOYSA-N 1 0 241.360 0.844 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418746788 192066846 /nfs/dbraw/zinc/06/68/46/192066846.db2.gz YASFGWQXRIWKDE-NKWVEPMBSA-N 1 0 221.251 0.843 20 30 BCEDRO C=CC[C@H]1CC[N@H+](CCN2C(=O)CNC2=O)C1 ZINC000625701175 344041023 /nfs/dbraw/zinc/04/10/23/344041023.db2.gz OXRHFFUEYCYNHG-JTQLQIEISA-N 1 0 237.303 0.436 20 30 BCEDRO CN(CC[NH+]1CCCC1)c1cncc(C#N)n1 ZINC000401371516 529908284 /nfs/dbraw/zinc/90/82/84/529908284.db2.gz GFRORUJDASBRDP-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO COCC#CCN1CCN(Cc2cn[nH]c2)CC1 ZINC000625473661 343873174 /nfs/dbraw/zinc/87/31/74/343873174.db2.gz CVVKVXAUCWGGIB-UHFFFAOYSA-N 1 0 248.330 0.177 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc([C@](C)([NH3+])CC)nn1 ZINC000603233035 349892025 /nfs/dbraw/zinc/89/20/25/349892025.db2.gz HAFDXHMDHBCNRF-LDYMZIIASA-N 1 0 238.291 0.762 20 30 BCEDRO CC(=O)N[C@@H]1CCN(Cc2cccc(C#N)n2)C1 ZINC000602699840 343973735 /nfs/dbraw/zinc/97/37/35/343973735.db2.gz SEDDEHDBMPSYQX-CYBMUJFWSA-N 1 0 244.298 0.664 20 30 BCEDRO N#CCC[NH2+][C@H]1CCC(=O)NC12CCC2 ZINC000570626933 323065122 /nfs/dbraw/zinc/06/51/22/323065122.db2.gz NYERHDWMEWILPG-VIFPVBQESA-N 1 0 207.277 0.691 20 30 BCEDRO C=CCC[C@H](O)Cn1cc(C[NH2+]C)nn1 ZINC000641211998 362272930 /nfs/dbraw/zinc/27/29/30/362272930.db2.gz DTIDJZWIEWJIPV-JTQLQIEISA-N 1 0 210.281 0.325 20 30 BCEDRO C=CC[C@@H]1CC[N@H+](CC(=O)N2CCNC2=O)C1 ZINC000625704481 344048981 /nfs/dbraw/zinc/04/89/81/344048981.db2.gz UJNOWJVXYNKEKS-SNVBAGLBSA-N 1 0 237.303 0.436 20 30 BCEDRO CCC#C[C@@H](C)[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000625708225 344050663 /nfs/dbraw/zinc/05/06/63/344050663.db2.gz RFFIVEIJZLRYCQ-WOPDTQHZSA-N 1 0 211.305 0.321 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CCNS(=O)(=O)CC)C1 ZINC000625701850 344052721 /nfs/dbraw/zinc/05/27/21/344052721.db2.gz TZASMHRWCAMOGZ-NSHDSACASA-N 1 0 246.376 0.824 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000625702329 344053413 /nfs/dbraw/zinc/05/34/13/344053413.db2.gz XJTGIYLKGQGNGM-SNVBAGLBSA-N 1 0 232.349 0.434 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc([C@H](C)[NH2+]C)nn1 ZINC000603238389 349904316 /nfs/dbraw/zinc/90/43/16/349904316.db2.gz WROUXNYKVVEPAU-IONNQARKSA-N 1 0 224.264 0.459 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)[C@H]1CCCCN(C)C1=O ZINC000634743345 344161323 /nfs/dbraw/zinc/16/13/23/344161323.db2.gz QTXIGZVNWWGRRN-RYUDHWBXSA-N 1 0 240.347 0.866 20 30 BCEDRO COCC#CCN1CCO[C@@H](C(F)F)CC1 ZINC000634757415 344220051 /nfs/dbraw/zinc/22/00/51/344220051.db2.gz RHNYOKLVMQPRLZ-SNVBAGLBSA-N 1 0 233.258 0.992 20 30 BCEDRO N#CCN1CCC([NH2+]C2CSC2)CC1 ZINC000306519940 344225239 /nfs/dbraw/zinc/22/52/39/344225239.db2.gz JOTNSLDRYPIRDV-UHFFFAOYSA-N 1 0 211.334 0.679 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H](C)OC ZINC000290413607 344282297 /nfs/dbraw/zinc/28/22/97/344282297.db2.gz AAFYNHWVEDQCJZ-UTLUCORTSA-N 1 0 214.309 0.690 20 30 BCEDRO COC[C@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)OC ZINC000600735675 344365163 /nfs/dbraw/zinc/36/51/63/344365163.db2.gz PCIKLSHFYDEIBI-MNOVXSKESA-N 1 0 242.319 0.292 20 30 BCEDRO COC[C@@H](C[NH2+]C[C@H](O)CC1(C#N)CC1)OC ZINC000600735671 344365274 /nfs/dbraw/zinc/36/52/74/344365274.db2.gz PCIKLSHFYDEIBI-GHMZBOCLSA-N 1 0 242.319 0.292 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H]2COC[C@@H]2C1 ZINC000634781696 344323196 /nfs/dbraw/zinc/32/31/96/344323196.db2.gz LDGIBGXZIUKFBY-TUAOUCFPSA-N 1 0 211.305 0.892 20 30 BCEDRO Cn1ccc(CC[NH2+]C[C@@H](O)CC2(C#N)CC2)n1 ZINC000600736178 344365454 /nfs/dbraw/zinc/36/54/54/344365454.db2.gz RCWNQFITMNGMJO-LBPRGKRZSA-N 1 0 248.330 0.607 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@@H]2CCCC[C@H]2O)CC1 ZINC000600736535 344365573 /nfs/dbraw/zinc/36/55/73/344365573.db2.gz BMLGBTUWKOSRJF-QJPTWQEYSA-N 1 0 238.331 0.934 20 30 BCEDRO COC(=O)COCC[NH2+]C[C@@H](C#N)CCC#N ZINC000600613990 344336624 /nfs/dbraw/zinc/33/66/24/344336624.db2.gz OTOMSAYFTPOEFK-SNVBAGLBSA-N 1 0 239.275 0.209 20 30 BCEDRO C[C@@H](CCO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600741227 344367319 /nfs/dbraw/zinc/36/73/19/344367319.db2.gz CRHCNVQCNINMEY-QWRGUYRKSA-N 1 0 226.320 0.649 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600742005 344367417 /nfs/dbraw/zinc/36/74/17/344367417.db2.gz HZCYGACQNABXTO-NEPJUHHUSA-N 1 0 238.331 0.958 20 30 BCEDRO CC[C@@H](CCO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600741631 344367532 /nfs/dbraw/zinc/36/75/32/344367532.db2.gz GDYKALPTPIRKDZ-QWRGUYRKSA-N 1 0 226.320 0.792 20 30 BCEDRO CCC[C@H](O)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600743206 344367563 /nfs/dbraw/zinc/36/75/63/344367563.db2.gz LDKNZSBDYNNOQZ-QWRGUYRKSA-N 1 0 226.320 0.792 20 30 BCEDRO COC(=O)CCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600714618 344358513 /nfs/dbraw/zinc/35/85/13/344358513.db2.gz OCYAUTHKCCQADK-SNVBAGLBSA-N 1 0 240.303 0.584 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C[C@@H]2CCCO2)CC1 ZINC000600712862 344361536 /nfs/dbraw/zinc/36/15/36/344361536.db2.gz BSFKETSVXLXZKU-QWRGUYRKSA-N 1 0 224.304 0.810 20 30 BCEDRO COCCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600713135 344361820 /nfs/dbraw/zinc/36/18/20/344361820.db2.gz FPRRBRVRUQNUBR-SNVBAGLBSA-N 1 0 212.293 0.667 20 30 BCEDRO CN1CCC([NH2+]C[C@@H](O)CC2(C#N)CC2)CC1 ZINC000600713573 344362253 /nfs/dbraw/zinc/36/22/53/344362253.db2.gz CHYUKRFPYACSIB-LBPRGKRZSA-N 1 0 237.347 0.725 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCCOC2)CC1 ZINC000600718954 344362589 /nfs/dbraw/zinc/36/25/89/344362589.db2.gz AVLHNXWAGWJYDU-QWRGUYRKSA-N 1 0 224.304 0.810 20 30 BCEDRO Cc1n[nH]cc1C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600719990 344362623 /nfs/dbraw/zinc/36/26/23/344362623.db2.gz XRVRNQIJQRIMEY-LLVKDONJSA-N 1 0 234.303 0.863 20 30 BCEDRO C[C@@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)C(=O)N(C)C ZINC000600727098 344363597 /nfs/dbraw/zinc/36/35/97/344363597.db2.gz OLFHVZINFADFBK-ZJUUUORDSA-N 1 0 239.319 0.107 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H]2CC[C@@H](O)C2)CC1 ZINC000600745822 344368251 /nfs/dbraw/zinc/36/82/51/344368251.db2.gz SWAXSLOBQDQXHZ-TUAOUCFPSA-N 1 0 238.331 0.792 20 30 BCEDRO Cc1cc(C[NH2+]C[C@@H](O)CC2(C#N)CC2)ncn1 ZINC000600730473 344364252 /nfs/dbraw/zinc/36/42/52/344364252.db2.gz HVVYTZYJEBFNQZ-LBPRGKRZSA-N 1 0 246.314 0.929 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCC2(CO)CC2)CC1 ZINC000600750411 344368317 /nfs/dbraw/zinc/36/83/17/344368317.db2.gz VZEBQIXUUZJLKX-LLVKDONJSA-N 1 0 238.331 0.793 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H](O)C2CCC2)CC1 ZINC000600746402 344368709 /nfs/dbraw/zinc/36/87/09/344368709.db2.gz JEQVAVNPJBEIMX-VXGBXAGGSA-N 1 0 238.331 0.792 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@H]2CCC[C@@H]2O)CC1 ZINC000600747813 344368761 /nfs/dbraw/zinc/36/87/61/344368761.db2.gz LCUUMFLZYKCFPF-UTUOFQBUSA-N 1 0 238.331 0.792 20 30 BCEDRO C[C@H](C[C@H](C)O)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600745998 344368803 /nfs/dbraw/zinc/36/88/03/344368803.db2.gz UHUCHVWHFGXMKD-OUAUKWLOSA-N 1 0 226.320 0.790 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]C[C@@H]2CCC[C@H]2O)CC1 ZINC000600747812 344368846 /nfs/dbraw/zinc/36/88/46/344368846.db2.gz LCUUMFLZYKCFPF-QJPTWQEYSA-N 1 0 238.331 0.792 20 30 BCEDRO C[N@H+](CC(=O)N1CCOC[C@H]1C#N)C1CCC1 ZINC000600821571 344379629 /nfs/dbraw/zinc/37/96/29/344379629.db2.gz MFJUFAZRCHZMMJ-LLVKDONJSA-N 1 0 237.303 0.222 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C[N@H+](C)C1CCC1 ZINC000600817851 344379746 /nfs/dbraw/zinc/37/97/46/344379746.db2.gz YPHWFWRQRWRRTA-VIFPVBQESA-N 1 0 209.293 0.889 20 30 BCEDRO C[N@H+](CC(=O)N1CC[C@](F)(C#N)C1)C1CCC1 ZINC000600822876 344380160 /nfs/dbraw/zinc/38/01/60/344380160.db2.gz BZNYOENXICYVLU-LBPRGKRZSA-N 1 0 239.294 0.935 20 30 BCEDRO C[N@H+](CC(=O)N1CC(CC#N)C1)C1CCC1 ZINC000600830071 344381569 /nfs/dbraw/zinc/38/15/69/344381569.db2.gz XELOGGZCDHOAEN-UHFFFAOYSA-N 1 0 221.304 0.843 20 30 BCEDRO C=CCN1CCC([NH2+][C@H](C)[C@H](C)O)CC1 ZINC000570836016 323072057 /nfs/dbraw/zinc/07/20/57/323072057.db2.gz APHQVMOFCRTAQC-MNOVXSKESA-N 1 0 212.337 0.996 20 30 BCEDRO N#CCC(=O)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000041569417 344434694 /nfs/dbraw/zinc/43/46/94/344434694.db2.gz NWEZVQJRSFFDOW-SNVBAGLBSA-N 1 0 207.277 0.597 20 30 BCEDRO O=C(NCc1nc[nH]n1)[C@H]1CCC[N@@H+]1C1CC1 ZINC000330259758 537844647 /nfs/dbraw/zinc/84/46/47/537844647.db2.gz NRNCVSYRNGHCEI-SECBINFHSA-N 1 0 235.291 0.888 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@H]2COCCO2)o1 ZINC000135482331 344459267 /nfs/dbraw/zinc/45/92/67/344459267.db2.gz JGSODMILFWOTCA-NSHDSACASA-N 1 0 222.244 0.656 20 30 BCEDRO CC[N@H+](CCOCCO)Cc1ccnc(C#N)c1 ZINC000381018493 344469987 /nfs/dbraw/zinc/46/99/87/344469987.db2.gz WDMPLFFFCFTZJM-UHFFFAOYSA-N 1 0 249.314 0.784 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@H]2CCC(=O)NC2)o1 ZINC000135484912 344473587 /nfs/dbraw/zinc/47/35/87/344473587.db2.gz NKOAACJKPIRWQF-MRVPVSSYSA-N 1 0 219.244 0.519 20 30 BCEDRO CC1(C)CN(C(=O)c2ccnc(C#N)c2)CC[NH2+]1 ZINC000408313424 344487071 /nfs/dbraw/zinc/48/70/71/344487071.db2.gz IWYTUFMJSBOQCM-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C[C@@H]1[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)CCS1(=O)=O ZINC000381494505 344513056 /nfs/dbraw/zinc/51/30/56/344513056.db2.gz ZSWGVNNZDNHRIA-LMLFDSFASA-N 1 0 242.344 0.844 20 30 BCEDRO N#CCCC[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000381608506 344524993 /nfs/dbraw/zinc/52/49/93/344524993.db2.gz RGKNVXJOJUDDBJ-SNVBAGLBSA-N 1 0 219.292 0.818 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)c2cccc(C#N)n2)C1 ZINC000259145789 344545279 /nfs/dbraw/zinc/54/52/79/344545279.db2.gz UVTBBGWMQBZPNC-NSHDSACASA-N 1 0 244.298 0.777 20 30 BCEDRO C#CCC[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000367531072 344670410 /nfs/dbraw/zinc/67/04/10/344670410.db2.gz LOBAPIOYHKTCJP-LBPRGKRZSA-N 1 0 209.289 0.891 20 30 BCEDRO C=CCOCC(=O)NCC1CC[NH2+]CC1 ZINC000309927346 259378645 /nfs/dbraw/zinc/37/86/45/259378645.db2.gz VZJQASIHTAFMAM-UHFFFAOYSA-N 1 0 212.293 0.305 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000625973103 344638563 /nfs/dbraw/zinc/63/85/63/344638563.db2.gz IJAPFYIYPFFNKN-RWMBFGLXSA-N 1 0 243.347 0.236 20 30 BCEDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCCCC#N ZINC000260061760 344705128 /nfs/dbraw/zinc/70/51/28/344705128.db2.gz PMYXAHZGUIPUCD-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO CC[C@H]1C[C@@H](C)C[N@@H+]1CC(=O)NCC#N ZINC000075021567 344761378 /nfs/dbraw/zinc/76/13/78/344761378.db2.gz FROQNYQQSREYNW-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO CC#CCN1CC[NH+]([C@@H](CC)CO)CC1 ZINC000075960517 344789117 /nfs/dbraw/zinc/78/91/17/344789117.db2.gz WJSAUROSIWJOEN-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO CNC(=[NH2+])NCCCNC(=O)c1cccs1 ZINC000076105616 344794418 /nfs/dbraw/zinc/79/44/18/344794418.db2.gz JSSYORFMSZNHPV-UHFFFAOYSA-N 1 0 240.332 0.402 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCC1(C)C ZINC000583377276 344851440 /nfs/dbraw/zinc/85/14/40/344851440.db2.gz KXNSNQOPBHEJCW-NWDGAFQWSA-N 1 0 239.363 0.971 20 30 BCEDRO CCn1nc2c(cc1=O)C[N@@H+](CCCC#N)CC2 ZINC000078616846 344888921 /nfs/dbraw/zinc/88/89/21/344888921.db2.gz LUGQVVSRXOMMPN-UHFFFAOYSA-N 1 0 246.314 0.925 20 30 BCEDRO N#Cc1ccncc1N1CCC[C@@H]([NH3+])C1 ZINC000135799889 344894548 /nfs/dbraw/zinc/89/45/48/344894548.db2.gz CSZTUXVBAXAFRP-SNVBAGLBSA-N 1 0 202.261 0.881 20 30 BCEDRO C#CCOc1ccc(C(=O)N2CC[NH2+]CC2)cc1 ZINC000237880848 344926266 /nfs/dbraw/zinc/92/62/66/344926266.db2.gz MBQIHTBEIWGSAY-UHFFFAOYSA-N 1 0 244.294 0.744 20 30 BCEDRO C=CCOCC[NH2+][C@H]1C(=O)NCC[C@H]1C ZINC000330445585 344919923 /nfs/dbraw/zinc/91/99/23/344919923.db2.gz HANDYDULPQJNRY-NXEZZACHSA-N 1 0 212.293 0.303 20 30 BCEDRO Cc1ncc(CON=C(N)CCO)s1 ZINC000121349516 344921715 /nfs/dbraw/zinc/92/17/15/344921715.db2.gz WHZMSACIVGFTDU-UHFFFAOYSA-N 1 0 215.278 0.623 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153871760 344990124 /nfs/dbraw/zinc/99/01/24/344990124.db2.gz OJGSQKQIYNURDL-AAEUAGOBSA-N 1 0 236.315 0.237 20 30 BCEDRO C=CCNC(=O)CN1CCC[N@@H+](C(C)C)CC1 ZINC000069083526 362499421 /nfs/dbraw/zinc/49/94/21/362499421.db2.gz QHNIQYRGSPUOBO-UHFFFAOYSA-N 1 0 239.363 0.705 20 30 BCEDRO CO/N=C/c1ccc(C(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000126417514 345118329 /nfs/dbraw/zinc/11/83/29/345118329.db2.gz WKEMITOYUAYBAO-AAWHYMEISA-N 1 0 247.298 0.759 20 30 BCEDRO CNC(NCc1ccc(O)c(F)c1)=[NH+]C ZINC000127254284 345168571 /nfs/dbraw/zinc/16/85/71/345168571.db2.gz FFDLAQGJFYAOJJ-UHFFFAOYSA-N 1 0 211.240 0.826 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)CCCOC ZINC000247846885 345320032 /nfs/dbraw/zinc/32/00/32/345320032.db2.gz NBIBRRLCPYQIEO-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO CS(=O)(=O)C1(C[NH2+][C@H]2CC[C@H](C#N)C2)CC1 ZINC000331450122 345268682 /nfs/dbraw/zinc/26/86/82/345268682.db2.gz GRWYDLFVKIRTLP-UWVGGRQHSA-N 1 0 242.344 0.845 20 30 BCEDRO N#CCC1(C[N@H+]2CCC[C@@](O)(CO)C2)CC1 ZINC000313643635 345368424 /nfs/dbraw/zinc/36/84/24/345368424.db2.gz SBWAZYUNYPEVOH-LBPRGKRZSA-N 1 0 224.304 0.499 20 30 BCEDRO CC[C@H](C(=O)N1CCOC[C@@H]1C#N)[NH+](C)C ZINC000408471548 345328546 /nfs/dbraw/zinc/32/85/46/345328546.db2.gz SRVSECQJXNHVMQ-VHSXEESVSA-N 1 0 225.292 0.078 20 30 BCEDRO CC(C)([NH3+])CC(=O)N1CCN(CCC#N)CC1 ZINC000134827200 345423391 /nfs/dbraw/zinc/42/33/91/345423391.db2.gz YNCDCYMEYODMLU-UHFFFAOYSA-N 1 0 238.335 0.172 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000248633189 345438140 /nfs/dbraw/zinc/43/81/40/345438140.db2.gz SAKRWOMKZLNADX-AGIUHOORSA-N 1 0 243.347 0.785 20 30 BCEDRO CCCCN1CCOC[C@H]1C(=O)N[C@H](C)C#N ZINC000248636560 345438331 /nfs/dbraw/zinc/43/83/31/345438331.db2.gz KZRMCQCIPOWALL-MNOVXSKESA-N 1 0 239.319 0.516 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000418894091 192088723 /nfs/dbraw/zinc/08/87/23/192088723.db2.gz YOIYXRNQUCNRDJ-SNVBAGLBSA-N 1 0 239.319 0.019 20 30 BCEDRO N#CCC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000082275260 345500418 /nfs/dbraw/zinc/50/04/18/345500418.db2.gz MTVZYGPHHWHNON-LLVKDONJSA-N 1 0 221.304 0.987 20 30 BCEDRO CCCCNC(=[NH2+])NCc1noc(C)n1 ZINC000083181525 345508855 /nfs/dbraw/zinc/50/88/55/345508855.db2.gz QBBHXXOVYDMZIU-UHFFFAOYSA-N 1 0 211.269 0.582 20 30 BCEDRO CNC(=O)CC[N@H+](CCC#N)CC1CC1 ZINC000081514696 345482418 /nfs/dbraw/zinc/48/24/18/345482418.db2.gz OASXBWLSRPOSHO-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCCC[C@H](C)[NH+]1CCN(C(=O)CO)CC1 ZINC000089267292 345553109 /nfs/dbraw/zinc/55/31/09/345553109.db2.gz IKGAXNYGHXSLQK-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C[C@@H](O)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000082669203 345664639 /nfs/dbraw/zinc/66/46/39/345664639.db2.gz UUSWCDWVUNVMOR-SECBINFHSA-N 1 0 205.261 0.766 20 30 BCEDRO C[C@H](O)C[N@H+](C)Cc1ccnc(C#N)c1 ZINC000082669202 345664724 /nfs/dbraw/zinc/66/47/24/345664724.db2.gz UUSWCDWVUNVMOR-VIFPVBQESA-N 1 0 205.261 0.766 20 30 BCEDRO C#CCOc1ccc(C[N@@H+]2C[C@@H](O)[C@@H](O)C2)cc1 ZINC000093483746 345673412 /nfs/dbraw/zinc/67/34/12/345673412.db2.gz PEWACEBFBQZPSO-OKILXGFUSA-N 1 0 247.294 0.236 20 30 BCEDRO N#Cc1cccc(C[NH+]2CCC(O)(CO)CC2)c1 ZINC000313648563 345716291 /nfs/dbraw/zinc/71/62/91/345716291.db2.gz XSIOFWRKQGVHRY-UHFFFAOYSA-N 1 0 246.310 0.877 20 30 BCEDRO N#Cc1cccc(C(=O)N2CC[C@@H]3C[NH2+]C[C@@H]32)c1 ZINC000209372956 345736720 /nfs/dbraw/zinc/73/67/20/345736720.db2.gz UWMSHNLRDQGDRE-OLZOCXBDSA-N 1 0 241.294 0.992 20 30 BCEDRO N#Cc1cnc(NC[C@@H]2CCCC[NH2+]2)cn1 ZINC000070581487 345788529 /nfs/dbraw/zinc/78/85/29/345788529.db2.gz DWOVUKUSGMAOFE-VIFPVBQESA-N 1 0 217.276 0.902 20 30 BCEDRO CSCCN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000563207559 323101878 /nfs/dbraw/zinc/10/18/78/323101878.db2.gz PPDJVIFOZJTJKH-VIFPVBQESA-N 1 0 229.349 0.829 20 30 BCEDRO CC[NH+](CC)CCCN1CCO[C@H](C#N)C1 ZINC000191787124 346070009 /nfs/dbraw/zinc/07/00/09/346070009.db2.gz GHUZJTVNTRTABY-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO O=C(NCC#CCO)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000635900612 346106546 /nfs/dbraw/zinc/10/65/46/346106546.db2.gz OHXSTAOZBVMZOU-LBPRGKRZSA-N 1 0 236.315 0.115 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000635797667 346066098 /nfs/dbraw/zinc/06/60/98/346066098.db2.gz URDQXWJMCDKOTH-JTQLQIEISA-N 1 0 226.320 0.381 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635798250 346066747 /nfs/dbraw/zinc/06/67/47/346066747.db2.gz YADXDZKXIIERMK-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000635798249 346066930 /nfs/dbraw/zinc/06/69/30/346066930.db2.gz YADXDZKXIIERMK-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C1(C[NH+](C)C)CC1 ZINC000635987628 346139544 /nfs/dbraw/zinc/13/95/44/346139544.db2.gz DQNKTYSWDBMKHS-MNOVXSKESA-N 1 0 238.331 0.788 20 30 BCEDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000332011687 346170439 /nfs/dbraw/zinc/17/04/39/346170439.db2.gz TXSYGUNZFNKQEL-DTWKUNHWSA-N 1 0 207.277 0.547 20 30 BCEDRO C[C@H](O)C[N@@H+](CC#Cc1ccccc1)CCO ZINC000289381084 346258673 /nfs/dbraw/zinc/25/86/73/346258673.db2.gz CIADREMGNMUAOE-ZDUSSCGKSA-N 1 0 233.311 0.713 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000632382131 346279500 /nfs/dbraw/zinc/27/95/00/346279500.db2.gz CTQBUCZNFWNVPZ-UHFFFAOYSA-N 1 0 232.349 0.386 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cnn2ccccc12 ZINC000289751015 346332074 /nfs/dbraw/zinc/33/20/74/346332074.db2.gz HKFNSACETFMTNT-NSHDSACASA-N 1 0 217.272 0.971 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1cnnn1CC ZINC000641760832 362692755 /nfs/dbraw/zinc/69/27/55/362692755.db2.gz XEJQCXFONCHYOY-JTQLQIEISA-N 1 0 224.308 0.715 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)[C@@H]1CCCC[N@@H+]1C ZINC000636111604 346321598 /nfs/dbraw/zinc/32/15/98/346321598.db2.gz NFZRLAFSPYWNOC-NEPJUHHUSA-N 1 0 238.331 0.361 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@H]([NH3+])C[C@@H]2C)C1=O ZINC000563349500 323120133 /nfs/dbraw/zinc/12/01/33/323120133.db2.gz RTGZPOZMNVVLQC-SRVKXCTJSA-N 1 0 237.347 0.585 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1conc1C ZINC000641768028 362699561 /nfs/dbraw/zinc/69/95/61/362699561.db2.gz URGKEUYFSXBMPG-LLVKDONJSA-N 1 0 208.261 0.847 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cn(C)nc1CC ZINC000641766856 362699665 /nfs/dbraw/zinc/69/96/65/362699665.db2.gz CHOZEPTVXNYTOY-LBPRGKRZSA-N 1 0 235.331 0.846 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cnn2c1CCC2 ZINC000641766923 362699848 /nfs/dbraw/zinc/69/98/48/362699848.db2.gz FBNHMWKNUKELED-GFCCVEGCSA-N 1 0 233.315 0.693 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cnnn1CC ZINC000641768340 362705248 /nfs/dbraw/zinc/70/52/48/362705248.db2.gz ZUSHHHBCHOTINH-JTQLQIEISA-N 1 0 222.292 0.162 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cnnn1CC ZINC000641768341 362705862 /nfs/dbraw/zinc/70/58/62/362705862.db2.gz ZUSHHHBCHOTINH-SNVBAGLBSA-N 1 0 222.292 0.162 20 30 BCEDRO C[N@H+](CCCC#N)CC1(O)CCOCC1 ZINC000161620888 346344462 /nfs/dbraw/zinc/34/44/62/346344462.db2.gz NQEWYUCISHUNMG-UHFFFAOYSA-N 1 0 212.293 0.763 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000666608919 537971981 /nfs/dbraw/zinc/97/19/81/537971981.db2.gz NVWBIWJTPULCJY-MXWKQRLJSA-N 1 0 224.304 0.276 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)C(=O)NCC[NH2+]CC ZINC000419134793 192101974 /nfs/dbraw/zinc/10/19/74/192101974.db2.gz JMDDVQUKEFFJBL-SNVBAGLBSA-N 1 0 241.335 0.183 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)C(=O)NC[C@@H](C)C[NH3+] ZINC000419135326 192101657 /nfs/dbraw/zinc/10/16/57/192101657.db2.gz LCPLKRJNGANSBB-VHSXEESVSA-N 1 0 241.335 0.168 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000626165980 346397077 /nfs/dbraw/zinc/39/70/77/346397077.db2.gz KPSDMGCOUKSXIC-LLVKDONJSA-N 1 0 246.376 0.824 20 30 BCEDRO CCOCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000170814128 346453398 /nfs/dbraw/zinc/45/33/98/346453398.db2.gz WWGQZTINTOYBIF-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCCCN1CCOC1=O ZINC000170914511 346479641 /nfs/dbraw/zinc/47/96/41/346479641.db2.gz IQEUXWKEUWESEA-UHFFFAOYSA-N 1 0 242.323 0.532 20 30 BCEDRO C=CCNC(=O)[C@H](C)N[C@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802696 362762421 /nfs/dbraw/zinc/76/24/21/362762421.db2.gz ARFJACLYLVOCAW-AEJSXWLSSA-N 1 0 225.336 0.393 20 30 BCEDRO Cn1nnnc1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000381825151 346515103 /nfs/dbraw/zinc/51/51/03/346515103.db2.gz MCPSUYIUPKYIBD-BDAKNGLRSA-N 1 0 220.280 0.034 20 30 BCEDRO C[C@@H](CNC(=O)CC1(C#N)CC1)C[NH+](C)C ZINC000590416139 347096120 /nfs/dbraw/zinc/09/61/20/347096120.db2.gz YIVCTJVLTLMRRL-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO CN1CC[C@](O)(C[NH2+][C@H]2CC[C@H](C#N)C2)C1 ZINC000309553801 347099850 /nfs/dbraw/zinc/09/98/50/347099850.db2.gz JBFHXLYYSRFDEK-SRVKXCTJSA-N 1 0 223.320 0.335 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N(C)CCC[NH+](C)C ZINC000186771518 346535121 /nfs/dbraw/zinc/53/51/21/346535121.db2.gz GIWILSCHRZOZRP-JTQLQIEISA-N 1 0 226.324 0.739 20 30 BCEDRO Cc1nnc(N[C@@H](CO)C[NH+](C)C)c(C#N)c1C ZINC000589102074 346664689 /nfs/dbraw/zinc/66/46/89/346664689.db2.gz YSHKBTDEQVIZAM-SNVBAGLBSA-N 1 0 249.318 0.300 20 30 BCEDRO N#Cc1cnccc1N[C@@H]1CCc2cncn2C1 ZINC000588067761 346632543 /nfs/dbraw/zinc/63/25/43/346632543.db2.gz NQQGBYPPDGUTNY-LLVKDONJSA-N 1 0 239.282 0.999 20 30 BCEDRO CC[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000307893767 346706597 /nfs/dbraw/zinc/70/65/97/346706597.db2.gz IDPYQDZALGLDHI-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1cncc(C#N)n1 ZINC000401462567 346722701 /nfs/dbraw/zinc/72/27/01/346722701.db2.gz RNGONEZCFBCPQN-LLVKDONJSA-N 1 0 235.291 0.073 20 30 BCEDRO N#CCSCCC[N@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000590005751 346762189 /nfs/dbraw/zinc/76/21/89/346762189.db2.gz KLZQMHSXZAKUHO-URLYPYJESA-N 1 0 226.345 0.803 20 30 BCEDRO COCC[N@H+](C[C@H](C)CCC#N)[C@@H](C)C(N)=O ZINC000589820466 346738470 /nfs/dbraw/zinc/73/84/70/346738470.db2.gz QRXBAMVTHWTJPG-MNOVXSKESA-N 1 0 241.335 0.748 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](O)C[C@H]1CO ZINC000589821971 346739454 /nfs/dbraw/zinc/73/94/54/346739454.db2.gz DZMOJLLHHAHVBB-VWYCJHECSA-N 1 0 212.293 0.354 20 30 BCEDRO N#CCCOCC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000590174954 346788060 /nfs/dbraw/zinc/78/80/60/346788060.db2.gz URYINNXGQAOULE-LLVKDONJSA-N 1 0 235.291 0.455 20 30 BCEDRO C=C[C@H](CO)NCc1ncc(CN(C)C)s1 ZINC000309678735 347134717 /nfs/dbraw/zinc/13/47/17/347134717.db2.gz YUPJBZGKHCMHDJ-SECBINFHSA-N 1 0 241.360 0.841 20 30 BCEDRO CC[C@@H](CC#N)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000336744391 347142061 /nfs/dbraw/zinc/14/20/61/347142061.db2.gz UVGQNGCMVXFGMJ-NWDGAFQWSA-N 1 0 225.336 0.989 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CC(C)(C(=O)OCC)C1 ZINC000601286315 347154402 /nfs/dbraw/zinc/15/44/02/347154402.db2.gz KXOYMILEBHWKDH-GRZMOONWSA-N 1 0 227.304 0.855 20 30 BCEDRO C=CCOCCC[NH2+][C@H]1CCC(=O)N[C@H]1C ZINC000309762041 347155809 /nfs/dbraw/zinc/15/58/09/347155809.db2.gz IWLJBYWZVISXMI-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO CC1CC(C#N)(C(=O)N2CC([NH+](C)C)C2)C1 ZINC000382114115 347190625 /nfs/dbraw/zinc/19/06/25/347190625.db2.gz ADIGQUCKSNJTFU-UHFFFAOYSA-N 1 0 221.304 0.699 20 30 BCEDRO Cc1ccc(C[NH2+]CCn2cnc(C#N)n2)nc1 ZINC000353038088 187372449 /nfs/dbraw/zinc/37/24/49/187372449.db2.gz LWPINLLJHYZLEM-UHFFFAOYSA-N 1 0 242.286 0.643 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@H](CC)[NH+](C)C ZINC000185731061 347211382 /nfs/dbraw/zinc/21/13/82/347211382.db2.gz WFVAITFGPMENOW-UWVGGRQHSA-N 1 0 214.309 0.380 20 30 BCEDRO C#C[C@H](C)NC(=O)NCCC[N@@H+](C)CCOC ZINC000186007226 347222776 /nfs/dbraw/zinc/22/27/76/347222776.db2.gz WDIXUTDGXOJYBP-NSHDSACASA-N 1 0 241.335 0.276 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@@H](CO)C1 ZINC000338900612 347265640 /nfs/dbraw/zinc/26/56/40/347265640.db2.gz ILRIPLREVPCZAD-LLVKDONJSA-N 1 0 212.293 0.621 20 30 BCEDRO C=CCNC(=O)NCC[N@@H+]1CCCOCC1 ZINC000187816267 347265772 /nfs/dbraw/zinc/26/57/72/347265772.db2.gz REZNMOBAKYKCSR-UHFFFAOYSA-N 1 0 227.308 0.194 20 30 BCEDRO C#CCNC(=[NH+]C)N(C)C[C@H]1CCOC1 ZINC000155964077 136731324 /nfs/dbraw/zinc/73/13/24/136731324.db2.gz ONHSDWGONHXDTQ-SNVBAGLBSA-N 1 0 209.293 0.163 20 30 BCEDRO C[NH+](C)CCn1cc(C(=O)NCCCC#N)cn1 ZINC000601428715 347350979 /nfs/dbraw/zinc/35/09/79/347350979.db2.gz LQTNDQTVUXFWIH-UHFFFAOYSA-N 1 0 249.318 0.478 20 30 BCEDRO CNC(NC[C@]1(C)CCO[C@@H]1C1CC1)=[NH+]C ZINC000364263144 347352415 /nfs/dbraw/zinc/35/24/15/347352415.db2.gz WCCOFXYLVSEZLD-PWSUYJOCSA-N 1 0 225.336 0.986 20 30 BCEDRO C=CC1CCN(C(=O)[C@H]2C[C@H](OC)C[NH2+]2)CC1 ZINC000191929665 136748741 /nfs/dbraw/zinc/74/87/41/136748741.db2.gz XAKPXZQVRGKKIN-NWDGAFQWSA-N 1 0 238.331 0.788 20 30 BCEDRO C[NH2+]CCSCC(=O)N[C@](C)(C#N)C1CC1 ZINC000382641438 347378543 /nfs/dbraw/zinc/37/85/43/347378543.db2.gz DTURHSQNIPSVKG-LLVKDONJSA-N 1 0 241.360 0.747 20 30 BCEDRO C[NH2+]CCSCC(=O)N[C@@](C)(C#N)C1CC1 ZINC000382641439 347378934 /nfs/dbraw/zinc/37/89/34/347378934.db2.gz DTURHSQNIPSVKG-NSHDSACASA-N 1 0 241.360 0.747 20 30 BCEDRO COCCNC(=[NH2+])NCCc1ccsc1 ZINC000195522344 347456992 /nfs/dbraw/zinc/45/69/92/347456992.db2.gz WDWLRQCJRJKGQE-UHFFFAOYSA-N 1 0 227.333 0.841 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(N2CCCC2=O)cc1 ZINC000195522136 347457203 /nfs/dbraw/zinc/45/72/03/347457203.db2.gz DGVOIKRBUXAZAO-UHFFFAOYSA-N 1 0 246.314 0.848 20 30 BCEDRO CNC(NCCCNc1ccccn1)=[NH+]C ZINC000195522530 347457210 /nfs/dbraw/zinc/45/72/10/347457210.db2.gz HRZSGNZWEVZBPN-UHFFFAOYSA-N 1 0 221.308 0.678 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000590691173 347491899 /nfs/dbraw/zinc/49/18/99/347491899.db2.gz WVDNARJFKIIEJP-QWRGUYRKSA-N 1 0 227.304 0.808 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](C(=O)OC)C1 ZINC000590691174 347492285 /nfs/dbraw/zinc/49/22/85/347492285.db2.gz WVDNARJFKIIEJP-WDEREUQCSA-N 1 0 227.304 0.808 20 30 BCEDRO C=CC1CC[NH+]([C@H](C)C(=O)NC(N)=O)CC1 ZINC000111259314 347472873 /nfs/dbraw/zinc/47/28/73/347472873.db2.gz WAIQRHKUHDWNNS-MRVPVSSYSA-N 1 0 225.292 0.468 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)C1(C#N)CCOCC1 ZINC000111138152 347474825 /nfs/dbraw/zinc/47/48/25/347474825.db2.gz SFHGUFWSZRCMLW-UHFFFAOYSA-N 1 0 239.319 0.327 20 30 BCEDRO C[C@@H](CNC(=O)N1CC[C@@](F)(C#N)C1)[NH+](C)C ZINC000590835730 347572006 /nfs/dbraw/zinc/57/20/06/347572006.db2.gz FSSHPPRLLGUTBD-GXSJLCMTSA-N 1 0 242.298 0.584 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000617007715 347577293 /nfs/dbraw/zinc/57/72/93/347577293.db2.gz YXRGDFSODUGILU-NXEZZACHSA-N 1 0 226.320 0.522 20 30 BCEDRO C#CCCNC(=O)[C@@H]1CCc2nccn2C1 ZINC000364953554 347604682 /nfs/dbraw/zinc/60/46/82/347604682.db2.gz LNHHEDPPSTYEAJ-SNVBAGLBSA-N 1 0 217.272 0.585 20 30 BCEDRO C[C@@H](C[NH2+]C[C@@H](O)CN(C)CCC#N)C1CC1 ZINC000591240790 347633198 /nfs/dbraw/zinc/63/31/98/347633198.db2.gz ACFQMFKHQIHWOL-WCQYABFASA-N 1 0 239.363 0.828 20 30 BCEDRO CC(C)C1C[NH+](C[C@@H](O)CN(C)CCC#N)C1 ZINC000591241797 347633209 /nfs/dbraw/zinc/63/32/09/347633209.db2.gz TXXUAFGTYYXWOM-ZDUSSCGKSA-N 1 0 239.363 0.781 20 30 BCEDRO C[NH+](C)C1(CNC(=O)c2cccc(C#N)n2)CC1 ZINC000591321576 347638330 /nfs/dbraw/zinc/63/83/30/347638330.db2.gz PEGVFSAQCGMNPJ-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C=CCSCCNC(=O)NC/C=C\C[NH3+] ZINC000591348125 347642279 /nfs/dbraw/zinc/64/22/79/347642279.db2.gz SXRRUNJXDMIVTK-ARJAWSKDSA-N 1 0 229.349 0.720 20 30 BCEDRO CC[NH2+]CCNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000591359390 347645155 /nfs/dbraw/zinc/64/51/55/347645155.db2.gz JTCURBPMNZKRTP-GFCCVEGCSA-N 1 0 238.335 0.931 20 30 BCEDRO N#C[C@]1(F)CCN(C(=O)NC[C@H]2CCC[NH2+]2)C1 ZINC000591359503 347645397 /nfs/dbraw/zinc/64/53/97/347645397.db2.gz BKEZFHDYUQSSLX-MWLCHTKSSA-N 1 0 240.282 0.386 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)NCc1cccc(C#N)c1 ZINC000591340721 347646701 /nfs/dbraw/zinc/64/67/01/347646701.db2.gz LTENVZSMGASHPK-VIFPVBQESA-N 1 0 232.287 0.705 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@](C)(C(=O)OC)C1 ZINC000591055411 347611995 /nfs/dbraw/zinc/61/19/95/347611995.db2.gz XLMVTKWCTINSSG-CYBMUJFWSA-N 1 0 239.315 0.911 20 30 BCEDRO COC[C@H]1CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000591625977 347680253 /nfs/dbraw/zinc/68/02/53/347680253.db2.gz PRAHCXQCFYLWDQ-GHMZBOCLSA-N 1 0 239.319 0.645 20 30 BCEDRO COC[C@H]1CCCN1C(=O)[C@@H]([NH3+])CCCC#N ZINC000591625978 347680289 /nfs/dbraw/zinc/68/02/89/347680289.db2.gz PRAHCXQCFYLWDQ-MNOVXSKESA-N 1 0 239.319 0.645 20 30 BCEDRO N#CC1(CN[C@@H]2CCC[C@@H]2[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000591663585 347683649 /nfs/dbraw/zinc/68/36/49/347683649.db2.gz CHDNXNHSFIDGAV-UPJWGTAASA-N 1 0 249.358 0.867 20 30 BCEDRO COC1(CO)CC[NH+](CCCC#N)CC1 ZINC000401748594 347718223 /nfs/dbraw/zinc/71/82/23/347718223.db2.gz MAMJMHZAIFXINK-UHFFFAOYSA-N 1 0 212.293 0.763 20 30 BCEDRO CC1(C)C[NH2+][C@@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000591687969 347689672 /nfs/dbraw/zinc/68/96/72/347689672.db2.gz WGQVMIBUAFHXJA-IVZWLZJFSA-N 1 0 221.304 0.793 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000591691962 347690332 /nfs/dbraw/zinc/69/03/32/347690332.db2.gz GGKSMWREMHZHSS-XHNCKOQMSA-N 1 0 210.281 0.325 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)CSC ZINC000591758714 347691796 /nfs/dbraw/zinc/69/17/96/347691796.db2.gz AUIMJORXYURDLD-SECBINFHSA-N 1 0 205.323 0.503 20 30 BCEDRO CC(C)OC[C@H](O)C[NH2+]CC(C)(C)C#N ZINC000591759376 347691941 /nfs/dbraw/zinc/69/19/41/347691941.db2.gz KQNNLLWEHHAFSL-SNVBAGLBSA-N 1 0 214.309 0.912 20 30 BCEDRO CCOCC[C@@H](O)C[NH2+]C[C@H](C)C#N ZINC000591735053 347693933 /nfs/dbraw/zinc/69/39/33/347693933.db2.gz YHJUYJGUMGHOON-NXEZZACHSA-N 1 0 200.282 0.523 20 30 BCEDRO CC(C)[C@@H](C#N)N1CC[NH+](CC[C@@H](C)O)CC1 ZINC000591845735 347706550 /nfs/dbraw/zinc/70/65/50/347706550.db2.gz SNOMPFRBYOVCHI-CHWSQXEVSA-N 1 0 239.363 0.923 20 30 BCEDRO C[C@@H]1[C@H](C)N(c2cncc(C#N)n2)CC[N@H+]1C ZINC000591460071 347665632 /nfs/dbraw/zinc/66/56/32/347665632.db2.gz LLJCFQCXBUOKHI-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@@H]([NH3+])C[C@H](C)NC(=O)NCC(C)(C)C#N ZINC000592214335 347762113 /nfs/dbraw/zinc/76/21/13/347762113.db2.gz JHRSDHZXDITAPK-BDAKNGLRSA-N 1 0 226.324 0.961 20 30 BCEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)NCC1(C#N)CC1 ZINC000592215451 347762746 /nfs/dbraw/zinc/76/27/46/347762746.db2.gz PHBCFSHJGVDGKH-DTWKUNHWSA-N 1 0 224.308 0.715 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CC[C@@H]1CCC[NH2+]1 ZINC000592256673 347764611 /nfs/dbraw/zinc/76/46/11/347764611.db2.gz NBBUTVVBAGLLBF-VIFPVBQESA-N 1 0 233.275 0.752 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2ccn(C)n2)CC1 ZINC000592068441 347726890 /nfs/dbraw/zinc/72/68/90/347726890.db2.gz IPRJOLQLYXHEJH-UHFFFAOYSA-N 1 0 248.330 0.800 20 30 BCEDRO CN(Cc1ccncc1C#N)[C@@]1(CO)CCOC1 ZINC000592100738 347733417 /nfs/dbraw/zinc/73/34/17/347733417.db2.gz MYUVYMUHGDHQEZ-CYBMUJFWSA-N 1 0 247.298 0.536 20 30 BCEDRO CN(CCOCCO)Cc1ccncc1C#N ZINC000592120634 347736817 /nfs/dbraw/zinc/73/68/17/347736817.db2.gz IIFZKSZRFNGOLF-UHFFFAOYSA-N 1 0 235.287 0.394 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CCN1CC[C@@](O)(CC#N)C1 ZINC000592150151 347740786 /nfs/dbraw/zinc/74/07/86/347740786.db2.gz AFNZKWMGYCQPPO-STQMWFEESA-N 1 0 237.347 0.821 20 30 BCEDRO COc1cccc(CN2CC[C@](O)(CC#N)C2)n1 ZINC000592149959 347741015 /nfs/dbraw/zinc/74/10/15/347741015.db2.gz AFFDRYHONMUWMK-CYBMUJFWSA-N 1 0 247.298 0.941 20 30 BCEDRO Cn1cc(CC[N@@H+]2CC[C@](O)(CC#N)C2)cn1 ZINC000592150739 347741913 /nfs/dbraw/zinc/74/19/13/347741913.db2.gz IFNPTYKAPCPKRI-GFCCVEGCSA-N 1 0 234.303 0.313 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CC2(O)CCCC2)C1 ZINC000592151803 347743193 /nfs/dbraw/zinc/74/31/93/347743193.db2.gz RJCWEFVMUWWNDT-GFCCVEGCSA-N 1 0 224.304 0.642 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CC[C@H]2CCOC2)C1 ZINC000592152844 347743545 /nfs/dbraw/zinc/74/35/45/347743545.db2.gz FORRRWFHUWMLED-NWDGAFQWSA-N 1 0 224.304 0.763 20 30 BCEDRO CCOCC[C@@H](O)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592152793 347743845 /nfs/dbraw/zinc/74/38/45/347743845.db2.gz DEGIXQPUZCZVIA-VXGBXAGGSA-N 1 0 242.319 0.124 20 30 BCEDRO CCC[C@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592154136 347744183 /nfs/dbraw/zinc/74/41/83/347744183.db2.gz PPHMCTFSMCNVKK-QWRGUYRKSA-N 1 0 212.293 0.498 20 30 BCEDRO CCC[C@@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592154135 347744768 /nfs/dbraw/zinc/74/47/68/347744768.db2.gz PPHMCTFSMCNVKK-MNOVXSKESA-N 1 0 212.293 0.498 20 30 BCEDRO Cc1cc(C#N)c(=O)n(CC2C[NH2+]C2)c1 ZINC000592165225 347746382 /nfs/dbraw/zinc/74/63/82/347746382.db2.gz BXBUSBRPIHSWHO-UHFFFAOYSA-N 1 0 203.245 0.248 20 30 BCEDRO Cc1ccn(C[C@@H]2CC[NH2+]C2)c(=O)c1C#N ZINC000592167711 347746658 /nfs/dbraw/zinc/74/66/58/347746658.db2.gz NPWSVJFRNLTUFT-SNVBAGLBSA-N 1 0 217.272 0.638 20 30 BCEDRO Cc1nc(C#N)c(C#N)n1C[C@@H]1CC[NH2+]C1 ZINC000592164811 347746737 /nfs/dbraw/zinc/74/67/37/347746737.db2.gz BQBCIUXHFDAABH-SECBINFHSA-N 1 0 215.260 0.544 20 30 BCEDRO N#Cc1ncc(OC[C@H]2CC[NH2+]C2)cn1 ZINC000592171287 347747013 /nfs/dbraw/zinc/74/70/13/347747013.db2.gz WEGPOYDCHNUHHT-QMMMGPOBSA-N 1 0 204.233 0.337 20 30 BCEDRO CC#CCC[N@H+]1C[C@H](O)C[C@@H](C(=O)OC)C1 ZINC000592209171 347757352 /nfs/dbraw/zinc/75/73/52/347757352.db2.gz VODZHPHKOIGAMT-GHMZBOCLSA-N 1 0 225.288 0.256 20 30 BCEDRO C=CCC[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592207365 347757369 /nfs/dbraw/zinc/75/73/69/347757369.db2.gz OUYLYEODLMVOSQ-ZJUUUORDSA-N 1 0 213.277 0.418 20 30 BCEDRO CC#CCC[N@@H+]1C[C@H](C(=O)OC)C[C@H](O)C1 ZINC000592209172 347757526 /nfs/dbraw/zinc/75/75/26/347757526.db2.gz VODZHPHKOIGAMT-MNOVXSKESA-N 1 0 225.288 0.256 20 30 BCEDRO N#Cc1cnn2cc(C[NH2+][C@@H]3CCOC3)cnc12 ZINC000592503571 347797458 /nfs/dbraw/zinc/79/74/58/347797458.db2.gz FWZLWDRKBRZDGF-LLVKDONJSA-N 1 0 243.270 0.479 20 30 BCEDRO C[C@@H](CC#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592755707 347814754 /nfs/dbraw/zinc/81/47/54/347814754.db2.gz XYBAVMPOASDIEB-IVZWLZJFSA-N 1 0 209.293 0.745 20 30 BCEDRO COCCN(CC#N)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592804706 347818550 /nfs/dbraw/zinc/81/85/50/347818550.db2.gz KNBUYAFAVVHZLL-GHMZBOCLSA-N 1 0 239.319 0.325 20 30 BCEDRO CC[C@H](C(=O)N1CC[C@@](O)(CC#N)C1)[NH+](C)C ZINC000592844845 347821689 /nfs/dbraw/zinc/82/16/89/347821689.db2.gz GIISXULBBUACBW-PWSUYJOCSA-N 1 0 239.319 0.204 20 30 BCEDRO C[NH+]1CCC2(CC1)CN(C(=O)CC#N)CCO2 ZINC000592898920 347829258 /nfs/dbraw/zinc/82/92/58/347829258.db2.gz NRKHVVXJAGMEST-UHFFFAOYSA-N 1 0 237.303 0.223 20 30 BCEDRO N#Cc1cnccc1CN1CCC[C@@H]([NH3+])C1 ZINC000592469520 347789218 /nfs/dbraw/zinc/78/92/18/347789218.db2.gz CBBHFWJZBUGVNH-GFCCVEGCSA-N 1 0 216.288 0.876 20 30 BCEDRO C[C@H](O)CC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000592514285 347792774 /nfs/dbraw/zinc/79/27/74/347792774.db2.gz ZZPPUZDRDTVFRY-VIFPVBQESA-N 1 0 245.286 0.461 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@H](C[NH3+])C1 ZINC000178589123 166273606 /nfs/dbraw/zinc/27/36/06/166273606.db2.gz YUACEAHWKIGCPN-WDEREUQCSA-N 1 0 226.320 0.775 20 30 BCEDRO CC[C@@H]1CN(CC(=O)NCC#N)[C@@H](CC)CO1 ZINC000593058031 347848015 /nfs/dbraw/zinc/84/80/15/347848015.db2.gz ICQQLIWJMHGVGD-WDEREUQCSA-N 1 0 239.319 0.516 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@@H]2C[C@H]1C[S@@]2=O ZINC000593098612 347856193 /nfs/dbraw/zinc/85/61/93/347856193.db2.gz YEJMMSKXAWPJIR-VEABSNGSSA-N 1 0 229.345 0.519 20 30 BCEDRO CC[C@H](C#N)C(=O)NCCC[N@H+](C)CCOC ZINC000593410253 347893120 /nfs/dbraw/zinc/89/31/20/347893120.db2.gz MWXSOMOGUWWPNX-LLVKDONJSA-N 1 0 241.335 0.621 20 30 BCEDRO CC[C@@H](C#N)C(=O)N(CCOC)CC[NH+](C)C ZINC000593449857 347898169 /nfs/dbraw/zinc/89/81/69/347898169.db2.gz AISDJZRILCLHHT-NSHDSACASA-N 1 0 241.335 0.573 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](C)CS(C)(=O)=O ZINC000577385674 365941551 /nfs/dbraw/zinc/94/15/51/365941551.db2.gz MKBVVMMIHPCXHV-ZJUUUORDSA-N 1 0 232.349 0.949 20 30 BCEDRO CC(C)(C#N)CNC(=O)NCCC1(C[NH3+])CC1 ZINC000593708263 347931113 /nfs/dbraw/zinc/93/11/13/347931113.db2.gz MINQLIXTPYUKIB-UHFFFAOYSA-N 1 0 238.335 0.964 20 30 BCEDRO N#Cc1cccc2c1CN(C(=O)NCC[NH3+])C2 ZINC000593710976 347935783 /nfs/dbraw/zinc/93/57/83/347935783.db2.gz ONOSTJOYSSDXBV-UHFFFAOYSA-N 1 0 230.271 0.542 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000593721616 347936924 /nfs/dbraw/zinc/93/69/24/347936924.db2.gz QYQMBANCHOZVLO-VWYCJHECSA-N 1 0 221.304 0.699 20 30 BCEDRO CC[C@@H](C#N)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000593499464 347906689 /nfs/dbraw/zinc/90/66/89/347906689.db2.gz SFOGGTCMQFLWPG-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000593499462 347906725 /nfs/dbraw/zinc/90/67/25/347906725.db2.gz SFOGGTCMQFLWPG-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000593669667 347925151 /nfs/dbraw/zinc/92/51/51/347925151.db2.gz AKZGILNGVXKTCI-UKKRHICBSA-N 1 0 221.304 0.922 20 30 BCEDRO COCCN1CCN(C(=O)CC#N)C(C)(C)C1 ZINC000593874423 347961869 /nfs/dbraw/zinc/96/18/69/347961869.db2.gz CXSYURKROXHPJQ-UHFFFAOYSA-N 1 0 239.319 0.469 20 30 BCEDRO C[NH2+]CCNC(=O)c1cccc(CC#N)c1 ZINC000593904348 347967845 /nfs/dbraw/zinc/96/78/45/347967845.db2.gz YGHDMJWWTOBAHZ-UHFFFAOYSA-N 1 0 217.272 0.702 20 30 BCEDRO N#CC1(C(=O)NCC[NH2+]C2CC2)CCCC1 ZINC000593904116 347968142 /nfs/dbraw/zinc/96/81/42/347968142.db2.gz KXVCRGBSTFZPJL-UHFFFAOYSA-N 1 0 221.304 0.939 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)[C@@H](C)Oc1ccccc1C#N ZINC000593905637 347968474 /nfs/dbraw/zinc/96/84/74/347968474.db2.gz ZTUGHORHTJSSPX-NXEZZACHSA-N 1 0 247.298 0.789 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)c1cccc(CC#N)c1 ZINC000593905457 347968700 /nfs/dbraw/zinc/96/87/00/347968700.db2.gz UFBAKDJGMCVKOV-VIFPVBQESA-N 1 0 217.272 0.830 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N1CCCCN1 ZINC000593911295 347970078 /nfs/dbraw/zinc/97/00/78/347970078.db2.gz YJCSAUXWVCAJSB-VIFPVBQESA-N 1 0 210.281 0.135 20 30 BCEDRO C#C[C@H](C)N(C)CC(O)C[N@H+](C)[C@@H](C)C#C ZINC000491325666 362850562 /nfs/dbraw/zinc/85/05/62/362850562.db2.gz FTQKOYMTACRWPU-RYUDHWBXSA-N 1 0 222.332 0.254 20 30 BCEDRO N#Cc1ccc(CN2C[C@H]3C[NH2+]C[C@H]3C2)nc1 ZINC000593947825 347977379 /nfs/dbraw/zinc/97/73/79/347977379.db2.gz ZESYBQFFKXJQCV-TXEJJXNPSA-N 1 0 228.299 0.604 20 30 BCEDRO CC(C)(C#N)CCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000577408133 365948617 /nfs/dbraw/zinc/94/86/17/365948617.db2.gz IRIMACOTXDRYQJ-GFCCVEGCSA-N 1 0 239.319 0.550 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCCN1C(=O)CNC1=O ZINC000594009400 347985033 /nfs/dbraw/zinc/98/50/33/347985033.db2.gz IVDOSSUWOSWWRX-VIFPVBQESA-N 1 0 238.291 0.210 20 30 BCEDRO Cn1cncc1CCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000594016077 347989820 /nfs/dbraw/zinc/98/98/20/347989820.db2.gz SOOYGQLNWBSACN-CYBMUJFWSA-N 1 0 248.330 0.703 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N(CC#N)C2CC2)C1 ZINC000594247616 348025669 /nfs/dbraw/zinc/02/56/69/348025669.db2.gz AHMZJLQCIYPTIZ-JTQLQIEISA-N 1 0 221.304 0.843 20 30 BCEDRO Cn1nnc2c1CC[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)C2 ZINC000594523679 348069983 /nfs/dbraw/zinc/06/99/83/348069983.db2.gz YZQZNAHIQWAHFF-MXWKQRLJSA-N 1 0 245.330 0.954 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNC(=O)CCCCC#N ZINC000594325447 348033934 /nfs/dbraw/zinc/03/39/34/348033934.db2.gz GGXWGMZNXHJMOS-GFCCVEGCSA-N 1 0 241.335 0.499 20 30 BCEDRO CC[N@H+](CCO)CCNC(=O)CCCCC#N ZINC000594341585 348036595 /nfs/dbraw/zinc/03/65/95/348036595.db2.gz QWSKVEDDRIPQPA-UHFFFAOYSA-N 1 0 241.335 0.501 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NCC(C)(C)C#N)C1 ZINC000594342098 348036858 /nfs/dbraw/zinc/03/68/58/348036858.db2.gz XVBQGTDGGPEMHM-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)N1CCSCC1 ZINC000594430336 348046063 /nfs/dbraw/zinc/04/60/63/348046063.db2.gz ZQRKSJUVSSHJGT-SNVBAGLBSA-N 1 0 241.360 0.973 20 30 BCEDRO COC[C@@H](C)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000594425074 348051211 /nfs/dbraw/zinc/05/12/11/348051211.db2.gz JPTPZLHVADOQQV-NXEZZACHSA-N 1 0 227.308 0.549 20 30 BCEDRO COC[C@@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594425079 348051429 /nfs/dbraw/zinc/05/14/29/348051429.db2.gz JPTPZLHVADOQQV-ZJUUUORDSA-N 1 0 227.308 0.549 20 30 BCEDRO N#CCCCCC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000594424655 348051571 /nfs/dbraw/zinc/05/15/71/348051571.db2.gz HLSYCPPOTLAYLJ-JTQLQIEISA-N 1 0 209.293 0.924 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCC1CC1 ZINC000594426029 348052118 /nfs/dbraw/zinc/05/21/18/348052118.db2.gz CBACLFCXQRWSMY-SNVBAGLBSA-N 1 0 209.293 0.924 20 30 BCEDRO COCCN(C)C(=O)[C@H]([NH3+])CCCCC#N ZINC000594425866 348052279 /nfs/dbraw/zinc/05/22/79/348052279.db2.gz BGYYTVINDRVJAQ-SNVBAGLBSA-N 1 0 227.308 0.502 20 30 BCEDRO CN(C(=O)[C@@H]([NH3+])CCCCC#N)C1CC(O)C1 ZINC000594468476 348053847 /nfs/dbraw/zinc/05/38/47/348053847.db2.gz MNUCSPDMSNQSRJ-ILDUYXDCSA-N 1 0 239.319 0.379 20 30 BCEDRO N#CCC1C[NH+](C[C@H](O)Cn2cccn2)C1 ZINC000594715939 348105607 /nfs/dbraw/zinc/10/56/07/348105607.db2.gz DRUSEKSNYNJDTN-NSHDSACASA-N 1 0 220.276 0.089 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CC(CC#N)C1 ZINC000594715927 348105770 /nfs/dbraw/zinc/10/57/70/348105770.db2.gz DJJIVAMWMOFGQK-NSHDSACASA-N 1 0 211.309 0.144 20 30 BCEDRO CC(C)COC[C@H](O)C[NH+]1CC(CC#N)C1 ZINC000594716789 348106277 /nfs/dbraw/zinc/10/62/77/348106277.db2.gz WLROOQREXBDZMC-GFCCVEGCSA-N 1 0 226.320 0.865 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CC(CC#N)C1 ZINC000594716703 348106414 /nfs/dbraw/zinc/10/64/14/348106414.db2.gz TWKVLCZKZCDLOK-GFCCVEGCSA-N 1 0 225.336 0.533 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000594740642 348110912 /nfs/dbraw/zinc/11/09/12/348110912.db2.gz OMKTYBGLTDJSMZ-GFCCVEGCSA-N 1 0 239.363 0.751 20 30 BCEDRO N#CC1(Cn2cc(CC[NH3+])nn2)CCCC1 ZINC000594658141 348093370 /nfs/dbraw/zinc/09/33/70/348093370.db2.gz LSTCRPRBRBJZRO-UHFFFAOYSA-N 1 0 219.292 0.863 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H](C)[NH+](C)C)C(C)C ZINC000491325810 362851057 /nfs/dbraw/zinc/85/10/57/362851057.db2.gz HEKCASAZNGQUBL-QWRGUYRKSA-N 1 0 225.336 0.894 20 30 BCEDRO N#CC1(c2ccc(C[NH2+]C(CO)CO)cc2)CC1 ZINC000594929474 348139556 /nfs/dbraw/zinc/13/95/56/348139556.db2.gz KDCSAXMYHJUBFM-UHFFFAOYSA-N 1 0 246.310 0.685 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594941980 348143835 /nfs/dbraw/zinc/14/38/35/348143835.db2.gz FBQAGTBSNSWCHY-UTLUCORTSA-N 1 0 240.303 0.076 20 30 BCEDRO CC[C@@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CO1 ZINC000594941065 348143854 /nfs/dbraw/zinc/14/38/54/348143854.db2.gz QKAWEQAMMJRHPL-VHSXEESVSA-N 1 0 235.291 0.307 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594944224 348144966 /nfs/dbraw/zinc/14/49/66/348144966.db2.gz RRVXUFOHHCYUCO-MXWKQRLJSA-N 1 0 227.304 0.976 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)[C@H]1C[C@H]1C(=O)OC ZINC000594945072 348145030 /nfs/dbraw/zinc/14/50/30/348145030.db2.gz LYMQRAWJBFKQBX-GWOFURMSSA-N 1 0 227.304 0.711 20 30 BCEDRO N#Cc1csc(C[NH2+][C@H]2CCNC2=O)c1 ZINC000594961790 348151495 /nfs/dbraw/zinc/15/14/95/348151495.db2.gz IDRBZQKVQKSYHG-VIFPVBQESA-N 1 0 221.285 0.598 20 30 BCEDRO C=CCCS(=O)(=O)NCC[N@@H+](C)CC ZINC000119969920 166290459 /nfs/dbraw/zinc/29/04/59/166290459.db2.gz FJGZACKZSXYAPL-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2CCNC2=O)cc1F ZINC000594964189 348160611 /nfs/dbraw/zinc/16/06/11/348160611.db2.gz PTKQJUTYBNHWET-NSHDSACASA-N 1 0 233.246 0.675 20 30 BCEDRO N#Cc1ccc(CC[N@@H+]2CCNC(=O)CC2)cc1 ZINC000595307165 348222581 /nfs/dbraw/zinc/22/25/81/348222581.db2.gz HZOXMENJSNFNPB-UHFFFAOYSA-N 1 0 243.310 0.923 20 30 BCEDRO C=CCCSCCNC(=O)[C@H]1CC[NH2+]1 ZINC000595257272 348204743 /nfs/dbraw/zinc/20/47/43/348204743.db2.gz RZDWVEYHZSPKST-SECBINFHSA-N 1 0 214.334 0.774 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000595258327 348205208 /nfs/dbraw/zinc/20/52/08/348205208.db2.gz BRYNNESVWLVOCQ-NSHDSACASA-N 1 0 239.319 0.716 20 30 BCEDRO N#CCCCCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595260995 348206367 /nfs/dbraw/zinc/20/63/67/348206367.db2.gz QQLGMIPJVXLENY-NXEZZACHSA-N 1 0 227.283 0.968 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000595264596 348207659 /nfs/dbraw/zinc/20/76/59/348207659.db2.gz CPTIXHMVEXKJMQ-JQWIXIFHSA-N 1 0 236.319 0.684 20 30 BCEDRO N#CCCCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595264746 348207677 /nfs/dbraw/zinc/20/76/77/348207677.db2.gz CESKSECYGOMBQI-NXEZZACHSA-N 1 0 242.298 0.761 20 30 BCEDRO 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CC[C@@H]([NH3+])CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595272245 348209858 /nfs/dbraw/zinc/20/98/58/348209858.db2.gz ADPGFYMWEKUNPI-MWLCHTKSSA-N 1 0 224.308 0.669 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)N[C@@H]2CC[NH2+]C2)C1 ZINC000595267452 348209931 /nfs/dbraw/zinc/20/99/31/348209931.db2.gz LGHIYWLDWCURPT-KOLCDFICSA-N 1 0 222.292 0.293 20 30 BCEDRO CN(CC(C)(C)[NH3+])C(=O)NCCCC#N ZINC000595274536 348210755 /nfs/dbraw/zinc/21/07/55/348210755.db2.gz ZFRVDMMCZCWQCI-UHFFFAOYSA-N 1 0 212.297 0.669 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000595275172 348211178 /nfs/dbraw/zinc/21/11/78/348211178.db2.gz IMCPRPFFKXTTCC-CMPLNLGQSA-N 1 0 238.335 0.930 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N1CC[C@](F)(C#N)C1 ZINC000595275008 348211198 /nfs/dbraw/zinc/21/11/98/348211198.db2.gz DGDIMFJKUKFQDH-SCZZXKLOSA-N 1 0 228.271 0.241 20 30 BCEDRO N#Cc1ccc(CC[N@H+]2C[C@@H](O)C[C@H]2CO)cc1 ZINC000595403849 348240097 /nfs/dbraw/zinc/24/00/97/348240097.db2.gz MXJAELFXWBXTQJ-KBPBESRZSA-N 1 0 246.310 0.528 20 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221.304 0.891 20 30 BCEDRO C=CC[C@@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000595658091 348297827 /nfs/dbraw/zinc/29/78/27/348297827.db2.gz FQKHNTLSVLMTCL-NXEZZACHSA-N 1 0 239.319 0.858 20 30 BCEDRO C=CC[C@H]1CCC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000595657766 348297889 /nfs/dbraw/zinc/29/78/89/348297889.db2.gz BXBMNQHDIHFCTE-JTQLQIEISA-N 1 0 239.319 0.860 20 30 BCEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000595665424 348302118 /nfs/dbraw/zinc/30/21/18/348302118.db2.gz ZSHFWTBITKLKLX-ZRUFSTJUSA-N 1 0 238.287 0.599 20 30 BCEDRO C=CCC[N@H+]1C[C@H](C)N(CCO)C[C@H]1C ZINC000419328228 192121868 /nfs/dbraw/zinc/12/18/68/192121868.db2.gz OGQKTCFKSYCNAR-NEPJUHHUSA-N 1 0 212.337 0.949 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)COC(C)C ZINC000294090678 323183175 /nfs/dbraw/zinc/18/31/75/323183175.db2.gz XOHAVBAVINBKCQ-UHFFFAOYSA-N 1 0 226.320 0.483 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN([C@@H](C)C#N)C1CC1 ZINC000595710499 348322804 /nfs/dbraw/zinc/32/28/04/348322804.db2.gz 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ZINC000595982859 348418306 /nfs/dbraw/zinc/41/83/06/348418306.db2.gz YFKLDUNIGNPFMB-CMPLNLGQSA-N 1 0 221.304 0.748 20 30 BCEDRO N#CC1(C(=O)NCC23CC(C2)C[NH2+]3)CCCC1 ZINC000595988112 348419905 /nfs/dbraw/zinc/41/99/05/348419905.db2.gz OCUAAJZUOYCANT-UHFFFAOYSA-N 1 0 233.315 0.939 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H]1C(=O)NCC(=O)OC ZINC000419346326 192125900 /nfs/dbraw/zinc/12/59/00/192125900.db2.gz NHWKQCTYROIINQ-SNVBAGLBSA-N 1 0 240.303 0.316 20 30 BCEDRO C[NH2+]CCCC(=O)Nc1n[nH]cc1C#N ZINC000563092860 349987510 /nfs/dbraw/zinc/98/75/10/349987510.db2.gz OLBUHLGJVDEYDN-UHFFFAOYSA-N 1 0 207.237 0.219 20 30 BCEDRO C[C@@]1(F)C[NH2+]CCN(c2ccc(C#N)c(N)n2)C1 ZINC000596014388 348430112 /nfs/dbraw/zinc/43/01/12/348430112.db2.gz OQHXOAOUKNHZPR-GFCCVEGCSA-N 1 0 249.293 0.673 20 30 BCEDRO C[C@H]1CN(c2ncc(C#N)cc2F)CC[NH2+]1 ZINC000596015324 348430640 /nfs/dbraw/zinc/43/06/40/348430640.db2.gz BOZTWNIDNZZLPO-QMMMGPOBSA-N 1 0 220.251 0.890 20 30 BCEDRO N#Cc1ccc(N2CCC[C@@H]([NH3+])C2)nc1N ZINC000596015957 348430720 /nfs/dbraw/zinc/43/07/20/348430720.db2.gz KXPDTDYWNYIVCO-SECBINFHSA-N 1 0 217.276 0.463 20 30 BCEDRO C[C@@H]1[C@H](C)C[N@H+](CC(=O)NCC#N)[C@H]1C ZINC000419378032 192133212 /nfs/dbraw/zinc/13/32/12/192133212.db2.gz VLKVQXYQNDZSHG-BBBLOLIVSA-N 1 0 209.293 0.602 20 30 BCEDRO N#Cc1ccc(N2CC[C@@H](F)[C@H]([NH3+])C2)nc1 ZINC000596021083 348423675 /nfs/dbraw/zinc/42/36/75/348423675.db2.gz MTZPZZJIWYPUOQ-NXEZZACHSA-N 1 0 220.251 0.829 20 30 BCEDRO CC[C@](C)(C#N)C(=O)N1CC(C[NH+](C)C)C1 ZINC000382176399 348485944 /nfs/dbraw/zinc/48/59/44/348485944.db2.gz MMMSJWRCPADRRA-GFCCVEGCSA-N 1 0 223.320 0.946 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000603553877 349992069 /nfs/dbraw/zinc/99/20/69/349992069.db2.gz AJPGICZNVOGBCG-LBPRGKRZSA-N 1 0 240.347 0.989 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000596096725 348444811 /nfs/dbraw/zinc/44/48/11/348444811.db2.gz YKZUBCZJCFLGSW-GUBZILKMSA-N 1 0 207.277 0.547 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3cc(C#N)cnn3)[C@@H]2C1 ZINC000596188682 348457475 /nfs/dbraw/zinc/45/74/75/348457475.db2.gz KYGVRWZBLXJHIR-VXGBXAGGSA-N 1 0 243.314 0.879 20 30 BCEDRO N#Cc1cnnc(N2CC[NH+]3CCC2CC3)c1 ZINC000596205244 348465849 /nfs/dbraw/zinc/46/58/49/348465849.db2.gz HPLPRFCPSFMEOI-UHFFFAOYSA-N 1 0 229.287 0.633 20 30 BCEDRO CN(CC1C[NH+](C)C1)c1ncccc1C#N ZINC000596455044 348541941 /nfs/dbraw/zinc/54/19/41/348541941.db2.gz YYFMJFCQKRGNRC-UHFFFAOYSA-N 1 0 216.288 0.951 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C(=O)OC)C1 ZINC000268575724 166303319 /nfs/dbraw/zinc/30/33/19/166303319.db2.gz SBMUHTHFVRVZBX-MNOVXSKESA-N 1 0 227.304 0.808 20 30 BCEDRO C=CCCN(C)C(=O)C(=O)NC[C@H]([NH3+])C(C)C ZINC000419995074 192156479 /nfs/dbraw/zinc/15/64/79/192156479.db2.gz JXVGTJYHGCKYRH-JTQLQIEISA-N 1 0 241.335 0.120 20 30 BCEDRO CC(C)[C@@H]1CN(C(=O)c2c[nH]c(C#N)c2)CC[NH2+]1 ZINC000596500673 348570298 /nfs/dbraw/zinc/57/02/98/348570298.db2.gz DVRZBWNVJJHPJT-LBPRGKRZSA-N 1 0 246.314 0.956 20 30 BCEDRO COCCN(CC[NH+](C)C)C(=O)[C@H](C)CC#N ZINC000597162152 348667291 /nfs/dbraw/zinc/66/72/91/348667291.db2.gz RVIAARLGXDYTCO-LLVKDONJSA-N 1 0 241.335 0.573 20 30 BCEDRO CC[N@@H+]1CC[C@@H](CNC(=O)[C@@H](C)CC#N)C1 ZINC000596885310 348628696 /nfs/dbraw/zinc/62/86/96/348628696.db2.gz UMSCDZLTLRQTOW-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCN(C)C(=O)C(=O)NCC([NH3+])(CC)CC ZINC000420085448 192159193 /nfs/dbraw/zinc/15/91/93/192159193.db2.gz XHHZQMXMPHONHQ-UHFFFAOYSA-N 1 0 241.335 0.265 20 30 BCEDRO C[C@@H](CC#N)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000596928554 348634687 /nfs/dbraw/zinc/63/46/87/348634687.db2.gz QVAIJTUTRCVHTO-VHSXEESVSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@@H](CC#N)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596928553 348634745 /nfs/dbraw/zinc/63/47/45/348634745.db2.gz QVAIJTUTRCVHTO-UWVGGRQHSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@H](CC#N)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000596928555 348634793 /nfs/dbraw/zinc/63/47/93/348634793.db2.gz QVAIJTUTRCVHTO-ZJUUUORDSA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@H](CNc1cc(C#N)ncn1)[NH+](C)C ZINC000308800869 348642756 /nfs/dbraw/zinc/64/27/56/348642756.db2.gz KVQANXLEUIPCKP-MRVPVSSYSA-N 1 0 205.265 0.710 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000597446129 348738672 /nfs/dbraw/zinc/73/86/72/348738672.db2.gz LLLVAGXWQGWNJB-GUBZILKMSA-N 1 0 244.360 0.037 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)[C@H](C)CC#N ZINC000597229737 348697839 /nfs/dbraw/zinc/69/78/39/348697839.db2.gz IWCYYZICSSNOGE-SNVBAGLBSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000597236061 348701470 /nfs/dbraw/zinc/70/14/70/348701470.db2.gz NRLOBYHUCNCXCP-GHMZBOCLSA-N 1 0 223.320 0.946 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000597690041 348780524 /nfs/dbraw/zinc/78/05/24/348780524.db2.gz TVUINVZGFNDNFK-VWYCJHECSA-N 1 0 221.304 0.699 20 30 BCEDRO C[NH+]1CCC2(CCN(C(=O)CC#N)C2)CC1 ZINC000597665773 348782099 /nfs/dbraw/zinc/78/20/99/348782099.db2.gz FWFFGLWXWNCSJA-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO C[C@H](CC#N)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000597727083 348793533 /nfs/dbraw/zinc/79/35/33/348793533.db2.gz JTFNFHUROKYMMG-OUAUKWLOSA-N 1 0 221.304 0.699 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC12CCC[NH+]1CCC2 ZINC000597587418 348758821 /nfs/dbraw/zinc/75/88/21/348758821.db2.gz SYCHYDZJLMQPBE-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000597573733 348762360 /nfs/dbraw/zinc/76/23/60/348762360.db2.gz HXZVCCLQUBHREO-ZYHUDNBSSA-N 1 0 239.319 0.061 20 30 BCEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@@H](C#N)CO ZINC000597742767 348808435 /nfs/dbraw/zinc/80/84/35/348808435.db2.gz PBAJIHXKVMBNJX-BDAKNGLRSA-N 1 0 227.308 0.154 20 30 BCEDRO CCC(C)(C)[NH2+][C@@H](C)C(=O)N[C@@H](C#N)CO ZINC000597742769 348808598 /nfs/dbraw/zinc/80/85/98/348808598.db2.gz PBAJIHXKVMBNJX-IUCAKERBSA-N 1 0 227.308 0.154 20 30 BCEDRO C[NH+](C)Cc1cccc(C(=O)N[C@H](C#N)CO)c1 ZINC000597748425 348812560 /nfs/dbraw/zinc/81/25/60/348812560.db2.gz ZDIFRBVDTLYSIX-GFCCVEGCSA-N 1 0 247.298 0.362 20 30 BCEDRO C[C@H](CCNC(=O)CSCC#N)[NH+](C)C ZINC000597998123 348853956 /nfs/dbraw/zinc/85/39/56/348853956.db2.gz PEXDPJMWVOZSQV-SECBINFHSA-N 1 0 229.349 0.700 20 30 BCEDRO C[C@@H](CCNC(=O)C(C)(C)C#N)[NH+](C)C ZINC000598000954 348855094 /nfs/dbraw/zinc/85/50/94/348855094.db2.gz WETKFSLSKHRTFY-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H](C#N)N(C(=O)[C@@H]1CCC[N@@H+]1C)C1CC1 ZINC000598128691 348894308 /nfs/dbraw/zinc/89/43/08/348894308.db2.gz OGWNFDOBQVZSED-ONGXEEELSA-N 1 0 221.304 0.984 20 30 BCEDRO C=CCCCCCN(C)C(=O)[C@H]1C[C@@H](O)C[NH2+]1 ZINC000213753256 348906854 /nfs/dbraw/zinc/90/68/54/348906854.db2.gz JWHIMYIKRZZDMP-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO N#Cc1cc(NCC[NH+]2CCC2)ncn1 ZINC000308860184 348908459 /nfs/dbraw/zinc/90/84/59/348908459.db2.gz AYZVDDGDFOOAHV-UHFFFAOYSA-N 1 0 203.249 0.466 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000354633259 348919075 /nfs/dbraw/zinc/91/90/75/348919075.db2.gz FZXNWMSFLQSKIB-MDZLAQPJSA-N 1 0 240.347 0.912 20 30 BCEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)C(C)(C)C(N)=O ZINC000598618278 349001662 /nfs/dbraw/zinc/00/16/62/349001662.db2.gz NUNMFCMVLPLXLS-VIFPVBQESA-N 1 0 241.335 0.483 20 30 BCEDRO C[C@@H]1[C@H](O)CC[N@@H+]1C[C@@H](O)CC(C)(C)C#N ZINC000598619827 349001834 /nfs/dbraw/zinc/00/18/34/349001834.db2.gz HOOIEHBHZVZISP-OUAUKWLOSA-N 1 0 226.320 0.742 20 30 BCEDRO COC[C@@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598619206 349001920 /nfs/dbraw/zinc/00/19/20/349001920.db2.gz LXFBYFWPOMOZIJ-ZJUUUORDSA-N 1 0 214.309 0.912 20 30 BCEDRO CC[C@@H]1C[N@H+](C[C@@H](O)CC(C)(C)C#N)C[C@H]1O ZINC000598598451 348991957 /nfs/dbraw/zinc/99/19/57/348991957.db2.gz FOLFNIWGIVNOMH-GRYCIOLGSA-N 1 0 240.347 0.990 20 30 BCEDRO C[N@H+](C[C@@H](O)CC(C)(C)C#N)[C@@H]1CCNC1=O ZINC000598598198 348992210 /nfs/dbraw/zinc/99/22/10/348992210.db2.gz BLAFRXGSKQDEDO-VHSXEESVSA-N 1 0 239.319 0.107 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(n2cccn2)CC1 ZINC000365159733 348992606 /nfs/dbraw/zinc/99/26/06/348992606.db2.gz LDEGBNOSQZPCCV-UHFFFAOYSA-N 1 0 248.330 0.822 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@H+](CCO)C1CC1 ZINC000598590183 348996555 /nfs/dbraw/zinc/99/65/55/348996555.db2.gz RQBGRUOSRIONRG-LLVKDONJSA-N 1 0 226.320 0.744 20 30 BCEDRO COCC[N@H+](CCO)C[C@@H](O)CC(C)(C)C#N ZINC000598589211 348996792 /nfs/dbraw/zinc/99/67/92/348996792.db2.gz GVOYGHJGRUFCFB-NSHDSACASA-N 1 0 244.335 0.228 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000598621885 349002900 /nfs/dbraw/zinc/00/29/00/349002900.db2.gz YGSVRESMELNBIC-VHSXEESVSA-N 1 0 239.319 0.237 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CC[C@@](C)(C#N)C2)CC1 ZINC000598420563 348958183 /nfs/dbraw/zinc/95/81/83/348958183.db2.gz UOHZTSVKSDHNOD-NSHDSACASA-N 1 0 221.304 0.843 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1CC[C@](F)(CO)C1 ZINC000598614568 349000432 /nfs/dbraw/zinc/00/04/32/349000432.db2.gz LPODDJNBYSSMJP-CMPLNLGQSA-N 1 0 244.310 0.693 20 30 BCEDRO CC[N@@H+](CC(N)=O)C[C@@H](O)CC(C)(C)C#N ZINC000598615858 349001241 /nfs/dbraw/zinc/00/12/41/349001241.db2.gz LTFLASXENDXPFE-VIFPVBQESA-N 1 0 227.308 0.094 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)CC[C@@H]1O ZINC000598606435 349006841 /nfs/dbraw/zinc/00/68/41/349006841.db2.gz KDKNKFRPIDZHSQ-UTUOFQBUSA-N 1 0 240.347 0.990 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CC[C@H]1CCC[NH2+]C1 ZINC000598666447 349014213 /nfs/dbraw/zinc/01/42/13/349014213.db2.gz YPVZCXBRDUYROZ-SECBINFHSA-N 1 0 247.302 1.000 20 30 BCEDRO C[NH2+]C1(CNc2nccnc2C#N)CCC1 ZINC000598636500 349014253 /nfs/dbraw/zinc/01/42/53/349014253.db2.gz YOIDMVLYYPXNOH-UHFFFAOYSA-N 1 0 217.276 0.902 20 30 BCEDRO CC[C@H](CO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598703049 349022586 /nfs/dbraw/zinc/02/25/86/349022586.db2.gz BQXOLCAZMSVFQM-ZJUUUORDSA-N 1 0 214.309 0.648 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]Cc1cc[nH]n1 ZINC000598714746 349025195 /nfs/dbraw/zinc/02/51/95/349025195.db2.gz JZRDKEODPIGKTJ-SNVBAGLBSA-N 1 0 222.292 0.800 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]C[C@@H]1CCOC1 ZINC000598720222 349027653 /nfs/dbraw/zinc/02/76/53/349027653.db2.gz MDHCCEBQACXNQC-WDEREUQCSA-N 1 0 226.320 0.913 20 30 BCEDRO CN1CCC[C@@H]1C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598722291 349028282 /nfs/dbraw/zinc/02/82/82/349028282.db2.gz ZYBPIHSQOXLLFT-VXGBXAGGSA-N 1 0 239.363 0.971 20 30 BCEDRO COC[C@H](C[NH2+]C[C@@H](O)CC(C)(C)C#N)OC ZINC000598722991 349028658 /nfs/dbraw/zinc/02/86/58/349028658.db2.gz CIMQLZKTAIRVQA-QWRGUYRKSA-N 1 0 244.335 0.538 20 30 BCEDRO COC[C@H](C[NH2+]C[C@H](O)CC(C)(C)C#N)OC ZINC000598722990 349028774 /nfs/dbraw/zinc/02/87/74/349028774.db2.gz CIMQLZKTAIRVQA-MNOVXSKESA-N 1 0 244.335 0.538 20 30 BCEDRO CCN(C)C(=O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598725240 349029187 /nfs/dbraw/zinc/02/91/87/349029187.db2.gz WKKGVTHKQPNJIC-JTQLQIEISA-N 1 0 241.335 0.355 20 30 BCEDRO CNC(=O)C[C@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598727371 349030046 /nfs/dbraw/zinc/03/00/46/349030046.db2.gz HHUHHHFCEUXZAC-VHSXEESVSA-N 1 0 241.335 0.401 20 30 BCEDRO C[C@@H](CN(C)C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598727839 349030368 /nfs/dbraw/zinc/03/03/68/349030368.db2.gz JZSXPNXLBSSDJD-WDEREUQCSA-N 1 0 227.352 0.827 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H]1C[C@H](O)C1 ZINC000598729228 349031198 /nfs/dbraw/zinc/03/11/98/349031198.db2.gz HLOKXCWOMDKUJH-GUBZILKMSA-N 1 0 212.293 0.400 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]C[C@H](O)C1CC1 ZINC000598729959 349031794 /nfs/dbraw/zinc/03/17/94/349031794.db2.gz PHMAPTPQEZRAGW-QWRGUYRKSA-N 1 0 226.320 0.648 20 30 BCEDRO COCC[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598729616 349032174 /nfs/dbraw/zinc/03/21/74/349032174.db2.gz MDMUQJBQHZABIL-GHMZBOCLSA-N 1 0 244.335 0.274 20 30 BCEDRO CC(C)[C@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730447 349032415 /nfs/dbraw/zinc/03/24/15/349032415.db2.gz VRURLPLZYXHQJC-GHMZBOCLSA-N 1 0 228.336 0.894 20 30 BCEDRO CC(C)[C@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730450 349032746 /nfs/dbraw/zinc/03/27/46/349032746.db2.gz VRURLPLZYXHQJC-WDEREUQCSA-N 1 0 228.336 0.894 20 30 BCEDRO C[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730229 349032757 /nfs/dbraw/zinc/03/27/57/349032757.db2.gz SBNTTYDEJFSDNX-DTWKUNHWSA-N 1 0 200.282 0.258 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730397 349032913 /nfs/dbraw/zinc/03/29/13/349032913.db2.gz UVFOILCQSCUZGP-GHMZBOCLSA-N 1 0 226.320 0.814 20 30 BCEDRO C=CCNC(=O)COC1CCC([NH3+])CC1 ZINC000055143080 349085373 /nfs/dbraw/zinc/08/53/73/349085373.db2.gz MQWXVLMCAHRTKP-UHFFFAOYSA-N 1 0 212.293 0.575 20 30 BCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)[C@@H]1CCCCO1 ZINC000599047905 349089834 /nfs/dbraw/zinc/08/98/34/349089834.db2.gz DAKKFTZOIGKNAP-QWRGUYRKSA-N 1 0 249.318 0.697 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000599091540 349091763 /nfs/dbraw/zinc/09/17/63/349091763.db2.gz BZWOVGWMJZIRRO-XQQFMLRXSA-N 1 0 237.347 0.725 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000599079804 349095900 /nfs/dbraw/zinc/09/59/00/349095900.db2.gz PDIUDVPEGJCDIN-XQQFMLRXSA-N 1 0 237.347 0.989 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000599084391 349097105 /nfs/dbraw/zinc/09/71/05/349097105.db2.gz BZWOVGWMJZIRRO-RWMBFGLXSA-N 1 0 237.347 0.725 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCN2CC[C@@H](O)C2)C1 ZINC000599084390 349097227 /nfs/dbraw/zinc/09/72/27/349097227.db2.gz BZWOVGWMJZIRRO-JHJVBQTASA-N 1 0 237.347 0.725 20 30 BCEDRO C[C@@H](Cn1cccn1)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599290608 349148203 /nfs/dbraw/zinc/14/82/03/349148203.db2.gz XKBDMISBINSRCF-RYUDHWBXSA-N 1 0 248.330 0.916 20 30 BCEDRO Cc1ccc(C#N)nc1NCC[N@@H+]1CC[C@H](O)C1 ZINC000599199157 349116451 /nfs/dbraw/zinc/11/64/51/349116451.db2.gz FSSJEWQLXNVDFF-LBPRGKRZSA-N 1 0 246.314 0.740 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCc1cn(C)nn1 ZINC000599438794 349178031 /nfs/dbraw/zinc/17/80/31/349178031.db2.gz XSLMFKSAVVDLKY-VIFPVBQESA-N 1 0 207.281 0.639 20 30 BCEDRO COC[C@](C)(O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308944628 349178567 /nfs/dbraw/zinc/17/85/67/349178567.db2.gz NFUKTMIRMNTPOV-OUAUKWLOSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000599526147 349207932 /nfs/dbraw/zinc/20/79/32/349207932.db2.gz GCRYQYRDFUAJLC-JTQLQIEISA-N 1 0 239.319 0.860 20 30 BCEDRO C[C@@H](c1ccc(C#N)cc1)[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000599532260 349210805 /nfs/dbraw/zinc/21/08/05/349210805.db2.gz FYBOAZPWIFETFK-XDTLVQLUSA-N 1 0 232.283 0.657 20 30 BCEDRO COC(=O)[C@@]1(OC)CC[N@H+](CCCC#N)C1 ZINC000599558837 349217363 /nfs/dbraw/zinc/21/73/63/349217363.db2.gz OKYJFNVRXYRIGH-LLVKDONJSA-N 1 0 226.276 0.554 20 30 BCEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@H]1[NH2+]CC(=O)NCC#N ZINC000599624015 349230819 /nfs/dbraw/zinc/23/08/19/349230819.db2.gz JDXFVKRNDAMEMX-PKIKSRDPSA-N 1 0 225.292 0.028 20 30 BCEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)NCC#N ZINC000599624014 349230877 /nfs/dbraw/zinc/23/08/77/349230877.db2.gz JDXFVKRNDAMEMX-LOKLDPHHSA-N 1 0 225.292 0.028 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H]1C(N)=O ZINC000599601746 349232840 /nfs/dbraw/zinc/23/28/40/349232840.db2.gz YGSVRESMELNBIC-ZJUUUORDSA-N 1 0 239.319 0.237 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCCC(=O)OC ZINC000599482867 349202753 /nfs/dbraw/zinc/20/27/53/349202753.db2.gz WWAUEJWAJRHOBK-SECBINFHSA-N 1 0 201.266 0.466 20 30 BCEDRO C=C(C)C[C@H](NC(=O)C[NH+](C)C)C(=O)OC ZINC000601786406 349343837 /nfs/dbraw/zinc/34/38/37/349343837.db2.gz QDTTYHVEIFQSFV-VIFPVBQESA-N 1 0 228.292 0.172 20 30 BCEDRO C[C@H]1CN(CCCC#N)CC[S@@]1=O ZINC000307608085 349324153 /nfs/dbraw/zinc/32/41/53/349324153.db2.gz CLXXEHKKHKZBGT-ZANVPECISA-N 1 0 200.307 0.743 20 30 BCEDRO C[C@@](O)(C[C@@H](O)C[NH2+]CCCC#N)C1CC1 ZINC000601967723 349404389 /nfs/dbraw/zinc/40/43/89/349404389.db2.gz XKUBRSXVTXPJKB-VXGBXAGGSA-N 1 0 226.320 0.792 20 30 BCEDRO CN(C(=O)C[NH+](C)C)[C@@H]1CCC[C@H]1C#N ZINC000601807769 349360631 /nfs/dbraw/zinc/36/06/31/349360631.db2.gz IRLSVXAKKNASAO-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1C(=O)N(CC#N)C1CC1 ZINC000602080223 349430550 /nfs/dbraw/zinc/43/05/50/349430550.db2.gz LWPTYELPTNOOEU-NSHDSACASA-N 1 0 221.304 0.985 20 30 BCEDRO C[C@@H](C#N)NC(=O)C12CCC[NH+](CCC1)C2 ZINC000602083717 349431962 /nfs/dbraw/zinc/43/19/62/349431962.db2.gz FBDDGFOVDIRSLG-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO CN(Cc1cccc(C#N)c1)C[C@H](O)C[NH3+] ZINC000061950768 349412183 /nfs/dbraw/zinc/41/21/83/349412183.db2.gz QPXAKGZXNNMEIY-GFCCVEGCSA-N 1 0 219.288 0.310 20 30 BCEDRO C[C@]1(CN2CCN(CCC#N)CC2)CC[NH2+]C1 ZINC000602023622 349419905 /nfs/dbraw/zinc/41/99/05/349419905.db2.gz YWCOANUJDHIXAX-ZDUSSCGKSA-N 1 0 236.363 0.517 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)CSCC#N)C1 ZINC000604267935 350096897 /nfs/dbraw/zinc/09/68/97/350096897.db2.gz HDLZRNCCCWKWIQ-SECBINFHSA-N 1 0 227.333 0.454 20 30 BCEDRO C=CCSCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000132252808 191029356 /nfs/dbraw/zinc/02/93/56/191029356.db2.gz UGHXWPJZWXXYHQ-SECBINFHSA-N 1 0 237.390 0.928 20 30 BCEDRO C=CCCC[N@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000117872211 350222620 /nfs/dbraw/zinc/22/26/20/350222620.db2.gz VTURFFPMGJPNQL-UHFFFAOYSA-N 1 0 246.376 0.920 20 30 BCEDRO C=C(CC)CNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000334950502 350224888 /nfs/dbraw/zinc/22/48/88/350224888.db2.gz YRJKZBBBFOBIRH-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO N#Cc1nccc(N[C@H]2CCC[NH2+]CC2)n1 ZINC000309261527 350243654 /nfs/dbraw/zinc/24/36/54/350243654.db2.gz BYMLITKVVNMIIG-VIFPVBQESA-N 1 0 217.276 0.902 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1ncnn1C(C)(C)C ZINC000261621349 535123732 /nfs/dbraw/zinc/12/37/32/535123732.db2.gz DJZUFTUKUZCRJJ-UHFFFAOYSA-N 1 0 238.339 0.846 20 30 BCEDRO C#CCOCCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000365511290 350319960 /nfs/dbraw/zinc/31/99/60/350319960.db2.gz VGSNTSXNYSUPLX-TXEJJXNPSA-N 1 0 236.315 0.046 20 30 BCEDRO C[C@@H]1CN(c2ccnc(C#N)n2)C[C@H](C)[NH2+]1 ZINC000309335536 350322017 /nfs/dbraw/zinc/32/20/17/350322017.db2.gz JSCHTJWRKFWNRY-DTORHVGOSA-N 1 0 217.276 0.535 20 30 BCEDRO CC#CCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000365554614 350345863 /nfs/dbraw/zinc/34/58/63/350345863.db2.gz UAVPIQNBFCHRCQ-QWHCGFSZSA-N 1 0 222.332 0.541 20 30 BCEDRO CCCOCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000225592283 350367733 /nfs/dbraw/zinc/36/77/33/350367733.db2.gz FEJGFWWPYSJSDB-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO CC(C)(C[NH2+]CCCC#N)N1CCOCC1 ZINC000309390111 350366928 /nfs/dbraw/zinc/36/69/28/350366928.db2.gz UFGFUWQALVTGOJ-UHFFFAOYSA-N 1 0 225.336 0.991 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N[C@]1(C#N)CC1(C)C ZINC000427881252 191098693 /nfs/dbraw/zinc/09/86/93/191098693.db2.gz HWIWUHJGRCICBD-BREBYQMCSA-N 1 0 235.331 0.993 20 30 BCEDRO CC#CCCN1CCC[C@H](S(C)(=O)=O)C1 ZINC000336670666 350434183 /nfs/dbraw/zinc/43/41/83/350434183.db2.gz FWCXVKKZAZNQCO-NSHDSACASA-N 1 0 229.345 0.909 20 30 BCEDRO CO[C@H]1C[NH+](CCCSCC#N)C[C@@H]1OC ZINC000336663278 350424979 /nfs/dbraw/zinc/42/49/79/350424979.db2.gz FTVJCXNBIDPTBO-QWRGUYRKSA-N 1 0 244.360 0.979 20 30 BCEDRO C=CCCC[N@@H+](C)CC(C)(CO)CO ZINC000336664357 350425650 /nfs/dbraw/zinc/42/56/50/350425650.db2.gz USMCIPZLSPYNLZ-UHFFFAOYSA-N 1 0 201.310 0.875 20 30 BCEDRO C=CCCCN(C)C(=O)[C@@H]1C[NH2+]CCO1 ZINC000158405632 191103603 /nfs/dbraw/zinc/10/36/03/191103603.db2.gz NSJWPASCFCCBPJ-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO CC#CCN1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000336673756 350431341 /nfs/dbraw/zinc/43/13/41/350431341.db2.gz QBUMGLFHNJUXMP-GHMZBOCLSA-N 1 0 212.362 0.987 20 30 BCEDRO CC#CCN1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000336673757 350431529 /nfs/dbraw/zinc/43/15/29/350431529.db2.gz QBUMGLFHNJUXMP-MNOVXSKESA-N 1 0 212.362 0.987 20 30 BCEDRO C[N@@H+]1CC[C@]2(CCN(C(=O)CC#N)C2)C1 ZINC000336690912 350446904 /nfs/dbraw/zinc/44/69/04/350446904.db2.gz MNDGGRXDCNEHBY-NSHDSACASA-N 1 0 207.277 0.454 20 30 BCEDRO C[N@@H+]1CCCC[C@@H]1CN1CCN(CC#N)CC1 ZINC000336695885 350451150 /nfs/dbraw/zinc/45/11/50/350451150.db2.gz JPHQKBKSEXXNFZ-CYBMUJFWSA-N 1 0 236.363 0.612 20 30 BCEDRO CC[N@H+](C[C@@H](O)Cn1cccn1)C[C@H](C)C#N ZINC000336702794 350459188 /nfs/dbraw/zinc/45/91/88/350459188.db2.gz AJKJPJQGQFEONK-VXGBXAGGSA-N 1 0 236.319 0.726 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+][C@H]1CC[C@@H](F)C1 ZINC000577502732 365972272 /nfs/dbraw/zinc/97/22/72/365972272.db2.gz CWKAVVFPJSPGQZ-GRYCIOLGSA-N 1 0 243.326 0.673 20 30 BCEDRO C=CCC[NH+]1CCN(C(=O)CCOC)CC1 ZINC000337071829 350548342 /nfs/dbraw/zinc/54/83/42/350548342.db2.gz NROLFVKNLMJGJC-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO Cn1ncc(-c2nc(C3([NH3+])CCC3)no2)c1C#N ZINC000571045684 350693154 /nfs/dbraw/zinc/69/31/54/350693154.db2.gz BWKKLFQHBFWPSU-UHFFFAOYSA-N 1 0 244.258 0.680 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)NC1CCCC1 ZINC000564045204 323418461 /nfs/dbraw/zinc/41/84/61/323418461.db2.gz LDRBRTHWMFXABX-NEPJUHHUSA-N 1 0 238.331 0.978 20 30 BCEDRO COCCOCC[N@H+](C)CCCC#N ZINC000308488786 350757522 /nfs/dbraw/zinc/75/75/22/350757522.db2.gz PNYNVLVNUKWDMS-UHFFFAOYSA-N 1 0 200.282 0.885 20 30 BCEDRO CC1(C)C[S@](=O)CCN1CCOCCC#N ZINC000339108613 350733891 /nfs/dbraw/zinc/73/38/91/350733891.db2.gz QSHRCKQNMBFYQJ-MRXNPFEDSA-N 1 0 244.360 0.760 20 30 BCEDRO N#Cc1cccc(C(=O)NC[C@@H]2COCC[NH2+]2)c1 ZINC000236403055 350735772 /nfs/dbraw/zinc/73/57/72/350735772.db2.gz VMBMJOSRLOLRQM-GFCCVEGCSA-N 1 0 245.282 0.276 20 30 BCEDRO N#CCCCC[N@@H+](CCO)CCCO ZINC000109798953 191123738 /nfs/dbraw/zinc/12/37/38/191123738.db2.gz HECDUGWZTUQLTP-UHFFFAOYSA-N 1 0 200.282 0.357 20 30 BCEDRO C[NH+]=C(NCc1c(C)nn(C)c1C)NC1CC1 ZINC000172840218 191124134 /nfs/dbraw/zinc/12/41/34/191124134.db2.gz IOGIPOZGELWUBX-UHFFFAOYSA-N 1 0 235.335 0.864 20 30 BCEDRO COC[C@@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397571554 350920319 /nfs/dbraw/zinc/92/03/19/350920319.db2.gz BZLYESQKWWGHLE-QWRGUYRKSA-N 1 0 212.293 0.619 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH+](C)C1CC1 ZINC000336685011 350930135 /nfs/dbraw/zinc/93/01/35/350930135.db2.gz KLTXYKKDEYAUST-NSHDSACASA-N 1 0 211.309 0.287 20 30 BCEDRO CC[C@H](C(N)=O)[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000397659510 350958790 /nfs/dbraw/zinc/95/87/90/350958790.db2.gz FANXLZCLQZFUET-VHSXEESVSA-N 1 0 209.293 0.876 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+](CCN2CCNC2=O)C1 ZINC000397745172 350969636 /nfs/dbraw/zinc/96/96/36/350969636.db2.gz BBVNLXWIXXRGHF-LLVKDONJSA-N 1 0 236.319 0.637 20 30 BCEDRO C[C@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CN(C)CCO1 ZINC000129102271 350986931 /nfs/dbraw/zinc/98/69/31/350986931.db2.gz SKGYOXUORBLTKT-GWCFXTLKSA-N 1 0 249.314 0.960 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+](CCOCCO)C1 ZINC000397635069 350955842 /nfs/dbraw/zinc/95/58/42/350955842.db2.gz VXQJIQZFLXYNNH-LLVKDONJSA-N 1 0 212.293 0.621 20 30 BCEDRO CCNC(=[NH2+])NCCN1CCc2ccccc2C1 ZINC000264116573 351219999 /nfs/dbraw/zinc/21/99/99/351219999.db2.gz SXKDOSCBJMEOTO-UHFFFAOYSA-N 1 0 246.358 0.969 20 30 BCEDRO CCS(=O)(=O)NCC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336724813 351388824 /nfs/dbraw/zinc/38/88/24/351388824.db2.gz BJLUKBALLIQCTC-ZJUUUORDSA-N 1 0 245.348 0.208 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)N1CCSC[C@H]1C#N ZINC000271695678 351427518 /nfs/dbraw/zinc/42/75/18/351427518.db2.gz GFUMUVVNUKRHDJ-HMDXOVGESA-N 1 0 239.344 0.572 20 30 BCEDRO CC[N@H+](C)CCNc1nccc(C#N)n1 ZINC000231900666 351453442 /nfs/dbraw/zinc/45/34/42/351453442.db2.gz SLISAYCTIAAABV-UHFFFAOYSA-N 1 0 205.265 0.712 20 30 BCEDRO C[C@@H](C[NH+](C)C)Nc1nccc(C#N)n1 ZINC000231904631 351456988 /nfs/dbraw/zinc/45/69/88/351456988.db2.gz JTYXHOUTQRFFBJ-QMMMGPOBSA-N 1 0 205.265 0.710 20 30 BCEDRO C[C@](O)(CO)C[NH2+]Cc1ccc(C#N)cc1F ZINC000090288083 363031439 /nfs/dbraw/zinc/03/14/39/363031439.db2.gz KFVYZQUZLUDZTE-GFCCVEGCSA-N 1 0 238.262 0.530 20 30 BCEDRO NC(=[NH2+])NC[C@H](O)CCc1ccccc1 ZINC000273339645 351519213 /nfs/dbraw/zinc/51/92/13/351519213.db2.gz MKHLBDSUJTWKMY-SNVBAGLBSA-N 1 0 207.277 0.254 20 30 BCEDRO CNC(=O)[C@@H]1CC[N@H+](CC2(CC#N)CC2)C1 ZINC000398493284 351557575 /nfs/dbraw/zinc/55/75/75/351557575.db2.gz DDZSZIBSMCLVDU-SNVBAGLBSA-N 1 0 221.304 0.748 20 30 BCEDRO CCCNC(=[NH2+])NCc1ccc(C(=O)OC)o1 ZINC000276717559 351645171 /nfs/dbraw/zinc/64/51/71/351645171.db2.gz YSLAJEWGTVWLTC-UHFFFAOYSA-N 1 0 239.275 0.881 20 30 BCEDRO C=CCN(CC=C)C(=O)c1cnc(C[NH3+])nc1 ZINC000637870755 351736551 /nfs/dbraw/zinc/73/65/51/351736551.db2.gz WDAABUNCEAQVKM-UHFFFAOYSA-N 1 0 232.287 0.750 20 30 BCEDRO C=CCNC(=O)[C@@H]([NH3+])Cc1cccc(OC)c1 ZINC000637870919 351737090 /nfs/dbraw/zinc/73/70/90/351737090.db2.gz GNARIEPAVFFGGQ-LBPRGKRZSA-N 1 0 234.299 0.867 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCN1CC=CCC1 ZINC000279927224 351828984 /nfs/dbraw/zinc/82/89/84/351828984.db2.gz FTMQBPZLGNMYLW-UHFFFAOYSA-N 1 0 224.352 0.905 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](C)OC)C1=O ZINC000281199725 351879734 /nfs/dbraw/zinc/87/97/34/351879734.db2.gz CHROFIJWXCVFCP-WDEREUQCSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@@H](C)O)C1=O ZINC000281994671 351919840 /nfs/dbraw/zinc/91/98/40/351919840.db2.gz NCYRZNJZCYGBSL-NXEZZACHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638011287 351888432 /nfs/dbraw/zinc/88/84/32/351888432.db2.gz WDYKYIVOJLHZEZ-UMNHJUIQSA-N 1 0 226.320 0.834 20 30 BCEDRO C#CCN(CC#N)CCC[NH+]1CCCC1 ZINC000281531898 351896320 /nfs/dbraw/zinc/89/63/20/351896320.db2.gz YTTQJAMLCAYOJB-UHFFFAOYSA-N 1 0 205.305 0.931 20 30 BCEDRO C=C[C@H](CO)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000336734859 351898790 /nfs/dbraw/zinc/89/87/90/351898790.db2.gz NPQHSVVZHWVYKZ-WOPDTQHZSA-N 1 0 210.321 0.750 20 30 BCEDRO N#CCC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000125615101 191144268 /nfs/dbraw/zinc/14/42/68/191144268.db2.gz PQFAPTGHIRLAFN-GHMZBOCLSA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCN(CC#N)C(=O)C[N@@H+](C)C(C)C ZINC000281884234 351913980 /nfs/dbraw/zinc/91/39/80/351913980.db2.gz DGISNAXVRGCNLH-UHFFFAOYSA-N 1 0 207.277 0.312 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCc1cnnn1C ZINC000287214111 352117954 /nfs/dbraw/zinc/11/79/54/352117954.db2.gz MQOARUYRRAQONA-UHFFFAOYSA-N 1 0 224.312 0.266 20 30 BCEDRO C[N@H+](CCCSCC#N)[C@H]1CCNC1=O ZINC000340225535 352084997 /nfs/dbraw/zinc/08/49/97/352084997.db2.gz LBIBLRCBYVZHHQ-VIFPVBQESA-N 1 0 227.333 0.454 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000627012230 363114393 /nfs/dbraw/zinc/11/43/93/363114393.db2.gz VNTOQBDIRNHHCY-QWRGUYRKSA-N 1 0 241.335 0.629 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627015784 363114812 /nfs/dbraw/zinc/11/48/12/363114812.db2.gz BPILZVDUHYUZDM-GHMZBOCLSA-N 1 0 223.320 0.840 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](C(N)=O)C1 ZINC000618887276 352157774 /nfs/dbraw/zinc/15/77/74/352157774.db2.gz RGTYDLBCCAPAAY-ZJUUUORDSA-N 1 0 209.293 0.733 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H](C)[NH2+]CC)nn1 ZINC000638363450 352173797 /nfs/dbraw/zinc/17/37/97/352173797.db2.gz UKVYGMSKPAXSDK-SECBINFHSA-N 1 0 237.307 0.078 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)[NH2+]CC ZINC000638362011 352174531 /nfs/dbraw/zinc/17/45/31/352174531.db2.gz AABLUWHEXIXKTM-DCAQKATOSA-N 1 0 226.320 0.692 20 30 BCEDRO C=C1CCN(C(=O)[C@H]2OCC[C@H]2[NH3+])CC1 ZINC000638381894 352193949 /nfs/dbraw/zinc/19/39/49/352193949.db2.gz QIDVSLIBTBGLQL-ZJUUUORDSA-N 1 0 210.277 0.281 20 30 BCEDRO CCCCNC(=[NH2+])NCCc1cn[nH]c1 ZINC000290709154 352237299 /nfs/dbraw/zinc/23/72/99/352237299.db2.gz TUCOCGUWJDVQIY-UHFFFAOYSA-N 1 0 209.297 0.657 20 30 BCEDRO C=CCOCCNC(=O)C1([NH+](C)C)CC1 ZINC000613361126 363138745 /nfs/dbraw/zinc/13/87/45/363138745.db2.gz VLJDZHNRUBWGOJ-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CC[C@H](CC)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627027106 363120612 /nfs/dbraw/zinc/12/06/12/363120612.db2.gz IXLVNYGKCGOHDR-WDEREUQCSA-N 1 0 241.335 0.629 20 30 BCEDRO C=CCCNC(=O)[C@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638405191 352212066 /nfs/dbraw/zinc/21/20/66/352212066.db2.gz APLJHXYAAPEQTL-ONGXEEELSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCCNC(=O)[C@@]1(COC)CCCC[NH2+]1 ZINC000638405651 352212337 /nfs/dbraw/zinc/21/23/37/352212337.db2.gz FOFMBTDAJVOXTH-LBPRGKRZSA-N 1 0 226.320 0.837 20 30 BCEDRO CNC(=[NH2+])NCCc1cccnc1OC ZINC000290492652 352227347 /nfs/dbraw/zinc/22/73/47/352227347.db2.gz HABOCSMCJYQALK-UHFFFAOYSA-N 1 0 208.265 0.167 20 30 BCEDRO C=CC(C)(C)CCNC(=O)COCC[NH3+] ZINC000638455092 352265276 /nfs/dbraw/zinc/26/52/76/352265276.db2.gz PXOTZRHHFHJWPT-UHFFFAOYSA-N 1 0 214.309 0.680 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NCC[N@@H+](CC)C1CC1 ZINC000291376688 352273950 /nfs/dbraw/zinc/27/39/50/352273950.db2.gz VPMGJZGKMGQUCF-JTQLQIEISA-N 1 0 241.335 0.317 20 30 BCEDRO COCCOCc1ccc(CNC(N)=[NH2+])cc1 ZINC000290947740 352251262 /nfs/dbraw/zinc/25/12/62/352251262.db2.gz LQKMIYSAVCKIFZ-UHFFFAOYSA-N 1 0 237.303 0.623 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000638471808 352280506 /nfs/dbraw/zinc/28/05/06/352280506.db2.gz LOILPFMXXROKPA-JTQLQIEISA-N 1 0 212.293 0.386 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)[C@H]2C[NH2+]CCO2)C1 ZINC000638471277 352281498 /nfs/dbraw/zinc/28/14/98/352281498.db2.gz AEFKVFOPXXLGFS-WDEREUQCSA-N 1 0 224.304 0.399 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)C[C@H]2COCC[NH2+]2)C1 ZINC000638471295 352281876 /nfs/dbraw/zinc/28/18/76/352281876.db2.gz AXBPLTDKMIEPSU-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000638471298 352281916 /nfs/dbraw/zinc/28/19/16/352281916.db2.gz AXBPLTDKMIEPSU-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)C(C)(C)C#N)C1 ZINC000044363498 352290694 /nfs/dbraw/zinc/29/06/94/352290694.db2.gz QGVHXYPMKUBBGP-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO [NH2+]=C(NC[C@H]1CC[C@@H](CO)O1)Nc1ccccc1 ZINC000292242117 352308792 /nfs/dbraw/zinc/30/87/92/352308792.db2.gz CIAYXKIAESPQCS-NEPJUHHUSA-N 1 0 249.314 0.953 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@@H]1CC[N@H+](C)C1 ZINC000044823695 352435444 /nfs/dbraw/zinc/43/54/44/352435444.db2.gz WBIMZPYEDFANGN-VHSXEESVSA-N 1 0 209.293 0.604 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000044828067 352444054 /nfs/dbraw/zinc/44/40/54/352444054.db2.gz BEVWDPOKGGQKSH-GHMZBOCLSA-N 1 0 223.320 0.994 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC(C)(C)[NH+](C)C ZINC000044827764 352444116 /nfs/dbraw/zinc/44/41/16/352444116.db2.gz CEDYXAGEPIRLPA-SECBINFHSA-N 1 0 211.309 0.993 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638613332 352452607 /nfs/dbraw/zinc/45/26/07/352452607.db2.gz IBDRWQVTAXDTRZ-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638613333 352452668 /nfs/dbraw/zinc/45/26/68/352452668.db2.gz IBDRWQVTAXDTRZ-WDEREUQCSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCC(CC=C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638621851 352459707 /nfs/dbraw/zinc/45/97/07/352459707.db2.gz ZFLQHSFJPKFOLI-LBPRGKRZSA-N 1 0 238.331 0.859 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000638648840 352492188 /nfs/dbraw/zinc/49/21/88/352492188.db2.gz OPUNRNCZPVFQAY-GHMZBOCLSA-N 1 0 226.320 0.836 20 30 BCEDRO CO[C@@]1(C[NH2+]Cc2cc(C#N)n(C)c2)CCOC1 ZINC000232315899 352618302 /nfs/dbraw/zinc/61/83/02/352618302.db2.gz UEBFSKQVZBMWDE-CYBMUJFWSA-N 1 0 249.314 0.792 20 30 BCEDRO C[C@H](CN(C)C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232315755 352619148 /nfs/dbraw/zinc/61/91/48/352619148.db2.gz XTXCSZDRBOEOBZ-SNVBAGLBSA-N 1 0 220.320 0.936 20 30 BCEDRO C#CCC(CC#C)C(=O)NCCC[NH+](C)C ZINC000277405899 187751003 /nfs/dbraw/zinc/75/10/03/187751003.db2.gz JHABXPUVZWWRNZ-UHFFFAOYSA-N 1 0 220.316 0.717 20 30 BCEDRO C=CCN(C)CC(=O)NC(=O)NC1CCCC1 ZINC000121495628 352639271 /nfs/dbraw/zinc/63/92/71/352639271.db2.gz AJIRNLKLBUVWMB-UHFFFAOYSA-N 1 0 239.319 0.873 20 30 BCEDRO C=C(C)CC[N@H+]1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000411916450 191227747 /nfs/dbraw/zinc/22/77/47/191227747.db2.gz MSQHFGQABAZLDR-GFCCVEGCSA-N 1 0 240.347 0.989 20 30 BCEDRO C=CCCC[N@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC000411909721 191228644 /nfs/dbraw/zinc/22/86/44/191228644.db2.gz ROXLXIGIBISKOR-LBPRGKRZSA-N 1 0 240.347 0.989 20 30 BCEDRO C=C(C)C[N@H+]1CCN(C)C[C@@H](C(=O)OC)C1 ZINC000411901128 191229411 /nfs/dbraw/zinc/22/94/11/191229411.db2.gz FXTHUSUKBNXIPV-LLVKDONJSA-N 1 0 226.320 0.599 20 30 BCEDRO CCN(CC(=O)N1CCOCC1)C[C@@H](C)C#N ZINC000042324043 352626583 /nfs/dbraw/zinc/62/65/83/352626583.db2.gz WMMQUMMGDFSZOY-NSHDSACASA-N 1 0 239.319 0.327 20 30 BCEDRO CCN(C)C(=O)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336746269 352737722 /nfs/dbraw/zinc/73/77/22/352737722.db2.gz BBRLHRANGQCPIP-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC#CCC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000334188381 352778302 /nfs/dbraw/zinc/77/83/02/352778302.db2.gz JRDPLACYUZUBRL-LLVKDONJSA-N 1 0 206.289 0.706 20 30 BCEDRO C[NH+](C)CC(=O)N1CCSC[C@H]1C#N ZINC000334198847 352791583 /nfs/dbraw/zinc/79/15/83/352791583.db2.gz LXYHYIIFOBLAFO-MRVPVSSYSA-N 1 0 213.306 0.016 20 30 BCEDRO C=CC[N@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000334230295 352847667 /nfs/dbraw/zinc/84/76/67/352847667.db2.gz JMMWZGNFQLYXIG-NWDGAFQWSA-N 1 0 210.321 0.967 20 30 BCEDRO C[NH+]1CCC(C(=O)N(CC#N)C2CC2)CC1 ZINC000334319427 352950559 /nfs/dbraw/zinc/95/05/59/352950559.db2.gz XVYWJMMXOUAFRL-UHFFFAOYSA-N 1 0 221.304 0.843 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC([C@H](C)O)CC1 ZINC000078643105 166364501 /nfs/dbraw/zinc/36/45/01/166364501.db2.gz UIDNSKXLARDILH-JTQLQIEISA-N 1 0 226.320 0.381 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000638830128 353009002 /nfs/dbraw/zinc/00/90/02/353009002.db2.gz MCUXGKIJCHCDKE-AVGNSLFASA-N 1 0 243.347 0.812 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000398658054 353124703 /nfs/dbraw/zinc/12/47/03/353124703.db2.gz HCAGHYSFYCFURR-SNVBAGLBSA-N 1 0 221.304 0.700 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)c1ccccc1 ZINC000272288320 188090594 /nfs/dbraw/zinc/09/05/94/188090594.db2.gz BCCAGQAXFDOUNE-ZDUSSCGKSA-N 1 0 246.310 0.449 20 30 BCEDRO C=C(C)CC[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000274802194 188092873 /nfs/dbraw/zinc/09/28/73/188092873.db2.gz RKSOYDDWULOEOO-JTQLQIEISA-N 1 0 214.309 0.775 20 30 BCEDRO C=C(C)CNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000274984124 188093534 /nfs/dbraw/zinc/09/35/34/188093534.db2.gz BVGZIYUERAUVCM-LLVKDONJSA-N 1 0 240.351 0.108 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCCCn1ccnc1 ZINC000278795992 188094643 /nfs/dbraw/zinc/09/46/43/188094643.db2.gz YVSFWEBBCZVCKK-GFCCVEGCSA-N 1 0 237.303 0.717 20 30 BCEDRO CC#CCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277863931 188094973 /nfs/dbraw/zinc/09/49/73/188094973.db2.gz ULABTHCVXNWWIF-KBPBESRZSA-N 1 0 247.342 0.841 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000278964455 188095524 /nfs/dbraw/zinc/09/55/24/188095524.db2.gz WZNOZPFMUUNTHX-ZYHUDNBSSA-N 1 0 226.320 0.381 20 30 BCEDRO CC#CCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000279922906 188095683 /nfs/dbraw/zinc/09/56/83/188095683.db2.gz QHTXYHQHRBZWGM-LLVKDONJSA-N 1 0 206.289 0.753 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000638968998 353176883 /nfs/dbraw/zinc/17/68/83/353176883.db2.gz LMNJUPNYKQAIJB-NEPJUHHUSA-N 1 0 229.320 0.830 20 30 BCEDRO C#CC[NH+]1CCC(N2CCCC2=O)CC1 ZINC000264150233 188087281 /nfs/dbraw/zinc/08/72/81/188087281.db2.gz CTUQTASTLONJQU-UHFFFAOYSA-N 1 0 206.289 0.706 20 30 BCEDRO C#CCCCCNC(=O)N(C)CC[NH+](C)C ZINC000268333913 188089019 /nfs/dbraw/zinc/08/90/19/188089019.db2.gz NNEIADBAXCUJML-UHFFFAOYSA-N 1 0 225.336 0.993 20 30 BCEDRO C[C@H](O)CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000330848613 353193989 /nfs/dbraw/zinc/19/39/89/353193989.db2.gz ZERXVRIFEMCYQA-VHSXEESVSA-N 1 0 229.324 0.355 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NC(=O)N[C@H](C)CCO)C1 ZINC000330900798 353196709 /nfs/dbraw/zinc/19/67/09/353196709.db2.gz WNSMCPVGAVVPNZ-MNOVXSKESA-N 1 0 243.351 0.745 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@H+](CCc2ccncc2)C1 ZINC000330823975 353183622 /nfs/dbraw/zinc/18/36/22/353183622.db2.gz FCLMHNMMPCFYMC-GFCCVEGCSA-N 1 0 248.330 0.832 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000330822792 353183775 /nfs/dbraw/zinc/18/37/75/353183775.db2.gz PRSYBTWNVTWCAZ-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO C[C@H](C[NH+]1CCOCC1)C(=O)N[C@@H](C)CC#N ZINC000330828875 353184038 /nfs/dbraw/zinc/18/40/38/353184038.db2.gz TWTVGCARFGLLSY-MNOVXSKESA-N 1 0 239.319 0.373 20 30 BCEDRO CCOC(=O)[C@@](C)(O)C[NH+]1CCC(C#N)CC1 ZINC000330902425 353197796 /nfs/dbraw/zinc/19/77/96/353197796.db2.gz BSEPWSXXZPSXJO-LBPRGKRZSA-N 1 0 240.303 0.536 20 30 BCEDRO C[NH+](C)CCNC(=O)c1cnc2n[nH]nc2c1 ZINC000330850020 353193816 /nfs/dbraw/zinc/19/38/16/353193816.db2.gz LHOGGSBZMKZHSV-UHFFFAOYSA-N 1 0 234.263 0.219 20 30 BCEDRO C[C@H](CC#N)N(C)CCC(=O)N1CCOCC1 ZINC000330938147 353201546 /nfs/dbraw/zinc/20/15/46/353201546.db2.gz BDUPQKFPVNLGBN-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO CNC(=O)NC(=O)[C@H](C)N(C)Cc1ccoc1 ZINC000330957872 353203798 /nfs/dbraw/zinc/20/37/98/353203798.db2.gz WFEKXHYHXYGPGE-QMMMGPOBSA-N 1 0 239.275 0.760 20 30 BCEDRO C[C@H](C#N)NC(=O)C(C)(C)c1c[nH]cn1 ZINC000330956893 353203807 /nfs/dbraw/zinc/20/38/07/353203807.db2.gz NERFKSLADLWOSH-SSDOTTSWSA-N 1 0 206.249 0.716 20 30 BCEDRO C[NH+](C)CCNC(=O)c1csc(=O)[nH]1 ZINC000330964976 353204500 /nfs/dbraw/zinc/20/45/00/353204500.db2.gz HGOQNRQNFPVAJF-UHFFFAOYSA-N 1 0 215.278 0.715 20 30 BCEDRO C=C[C@H](C)NC(=O)NCCCN1CCOCC1 ZINC000330933526 353207357 /nfs/dbraw/zinc/20/73/57/353207357.db2.gz DKAFIBDWEMOSBR-NSHDSACASA-N 1 0 241.335 0.787 20 30 BCEDRO CN(CCCCO)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000330992325 353210023 /nfs/dbraw/zinc/21/00/23/353210023.db2.gz KYBLUXCSVLAMOL-LLVKDONJSA-N 1 0 243.351 0.699 20 30 BCEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)CC#N ZINC000331050039 353213447 /nfs/dbraw/zinc/21/34/47/353213447.db2.gz HXFJAQDYRCJNKW-JTQLQIEISA-N 1 0 225.292 0.127 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CCC[N@H+]1CCC ZINC000331145963 353222273 /nfs/dbraw/zinc/22/22/73/353222273.db2.gz MHEHYZHTWJYTSM-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@@H](CNC(=O)Nc1ccnn1C)[NH+](C)C ZINC000331144524 353222537 /nfs/dbraw/zinc/22/25/37/353222537.db2.gz VLBPSNOXDSXTFN-QMMMGPOBSA-N 1 0 225.296 0.696 20 30 BCEDRO CN(CC[NH+]1CCCC1)C(=O)NCCC#N ZINC000331166340 353224469 /nfs/dbraw/zinc/22/44/69/353224469.db2.gz TWJCKBWOKFLGSW-UHFFFAOYSA-N 1 0 224.308 0.842 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@@H]2CCCSC2)n1 ZINC000309517554 188168325 /nfs/dbraw/zinc/16/83/25/188168325.db2.gz AJVWBUHQNXCDLH-SECBINFHSA-N 1 0 237.332 0.635 20 30 BCEDRO C[C@H](CC#N)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000126226712 353248102 /nfs/dbraw/zinc/24/81/02/353248102.db2.gz XEHZFBFAKAFFMF-NXEZZACHSA-N 1 0 241.360 0.842 20 30 BCEDRO C=CCC[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000336764386 353254827 /nfs/dbraw/zinc/25/48/27/353254827.db2.gz PTRLLABPQLRFRY-NSHDSACASA-N 1 0 213.277 0.874 20 30 BCEDRO C#CCNC(=O)[C@H](C[NH3+])c1ccccc1 ZINC000061610989 188183680 /nfs/dbraw/zinc/18/36/80/188183680.db2.gz RZIAYNCSRAPJMI-LLVKDONJSA-N 1 0 202.257 0.478 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCOC1 ZINC000127388232 353270643 /nfs/dbraw/zinc/27/06/43/353270643.db2.gz RJFSSABPDBDNRS-GARJFASQSA-N 1 0 226.320 0.692 20 30 BCEDRO CC(C)(C[NH2+][C@@H]1CC[C@H](C#N)C1)C(N)=O ZINC000336767742 353276055 /nfs/dbraw/zinc/27/60/55/353276055.db2.gz TZWKOPRIERSAKI-DTWKUNHWSA-N 1 0 209.293 0.780 20 30 BCEDRO C=CCNC(=O)CN(CCC)[C@H]1CC[NH2+]C1 ZINC000070902919 353262058 /nfs/dbraw/zinc/26/20/58/353262058.db2.gz ANTNKIQLYXHHEY-NSHDSACASA-N 1 0 225.336 0.363 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]C[C@H](O)COC ZINC000071263765 353264541 /nfs/dbraw/zinc/26/45/41/353264541.db2.gz ILLHILQWOXBSFW-ZDUSSCGKSA-N 1 0 249.310 0.796 20 30 BCEDRO C#CCCN1CCN([C@H](C)C(=O)NCC=C)CC1 ZINC000127282806 353265203 /nfs/dbraw/zinc/26/52/03/353265203.db2.gz AWSRBWCQWPCXNU-CYBMUJFWSA-N 1 0 249.358 0.318 20 30 BCEDRO CC#CCN1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000160517443 353266027 /nfs/dbraw/zinc/26/60/27/353266027.db2.gz CJDDGAOWWGVINM-UHFFFAOYSA-N 1 0 249.358 0.250 20 30 BCEDRO N#Cc1ncn(CC[NH2+]C[C@@H]2CCC=CO2)n1 ZINC000289614922 188210927 /nfs/dbraw/zinc/21/09/27/188210927.db2.gz LJRWEPFYGPGQRW-JTQLQIEISA-N 1 0 233.275 0.432 20 30 BCEDRO C=CCNC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000078802530 166377796 /nfs/dbraw/zinc/37/77/96/166377796.db2.gz GYXNMIAVOJKUHQ-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C#CCOc1ccc(C[NH2+]CCC(=O)NC)cc1 ZINC000074371818 353302880 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NBJDXCOMHJAWOW-LLVKDONJSA-N 1 0 228.336 0.627 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[N@@H+](C)CCCOC ZINC000186112302 353866738 /nfs/dbraw/zinc/86/67/38/353866738.db2.gz IAOCKSDNBDCXOD-NSHDSACASA-N 1 0 241.335 0.276 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)CSCC#N)CCC[N@@H+]1C ZINC000343418743 353881162 /nfs/dbraw/zinc/88/11/62/353881162.db2.gz CKHLNZKLSNZTJD-UWVGGRQHSA-N 1 0 241.360 0.842 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C#C)C(C)C ZINC000297122162 353848023 /nfs/dbraw/zinc/84/80/23/353848023.db2.gz ZHXPYEXOHFNGQO-CYBMUJFWSA-N 1 0 249.358 0.899 20 30 BCEDRO CC[N@H+](CCCO)[C@@H](C)C(=O)N(C)CCC#N ZINC000343737941 353968777 /nfs/dbraw/zinc/96/87/77/353968777.db2.gz INRYQBFMBCLSOG-NSHDSACASA-N 1 0 241.335 0.451 20 30 BCEDRO C=C[C@H]1CCCC[N@H+]1C[C@](C)(O)C(=O)OC ZINC000343760579 353976421 /nfs/dbraw/zinc/97/64/21/353976421.db2.gz BGLAZDDKMVLLLK-JQWIXIFHSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CCOCCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627115710 363282471 /nfs/dbraw/zinc/28/24/71/363282471.db2.gz 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/nfs/dbraw/zinc/10/57/67/181105767.db2.gz DPKYFFJYXKDAJK-GDNZZTSVSA-N 1 0 218.256 0.821 20 30 BCEDRO CC[N@H+](C)C[C@@H](O)CN(CCC#N)CCOC ZINC000383615462 354380733 /nfs/dbraw/zinc/38/07/33/354380733.db2.gz UGXDRHCKGOYPJZ-GFCCVEGCSA-N 1 0 243.351 0.161 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000334685266 354431479 /nfs/dbraw/zinc/43/14/79/354431479.db2.gz JJZAMPWWDYMECR-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO N#Cc1ccc(NC[C@H]2C[NH2+]CCO2)cn1 ZINC000122693531 181123843 /nfs/dbraw/zinc/12/38/43/181123843.db2.gz ZQJWUHXLKPOVIM-LLVKDONJSA-N 1 0 218.260 0.354 20 30 BCEDRO N#Cc1ccc([C@H](O)C[N@H+]2CC[C@H](CO)C2)cc1 ZINC000123086120 181130438 /nfs/dbraw/zinc/13/04/38/181130438.db2.gz FUNGNNBBIUUTEG-GXTWGEPZSA-N 1 0 246.310 0.906 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2CCC(=O)NC2)c1 ZINC000110911047 181138377 /nfs/dbraw/zinc/13/83/77/181138377.db2.gz BZCIAGRFRDVAGV-LBPRGKRZSA-N 1 0 229.283 0.926 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCOCCO)c1 ZINC000020198597 181138428 /nfs/dbraw/zinc/13/84/28/181138428.db2.gz PNBWDIJPSUKKFC-UHFFFAOYSA-N 1 0 220.272 0.657 20 30 BCEDRO N#Cc1ccccc1C[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000287508045 181145109 /nfs/dbraw/zinc/14/51/09/181145109.db2.gz UHZDHTYZMXSBFB-ZIAGYGMSSA-N 1 0 246.310 0.876 20 30 BCEDRO N#CCCCNC(=O)NCC[NH+]1CCC1 ZINC000345813542 354782257 /nfs/dbraw/zinc/78/22/57/354782257.db2.gz JYKCCCGAPCWUGB-UHFFFAOYSA-N 1 0 210.281 0.295 20 30 BCEDRO C=CCCC[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000345898617 354802207 /nfs/dbraw/zinc/80/22/07/354802207.db2.gz CLNODESNIHKTFZ-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO CC#CCN(C)C(=O)NCC1([NH3+])CCOCC1 ZINC000627148900 363383977 /nfs/dbraw/zinc/38/39/77/363383977.db2.gz ONEXLPPSIWTATL-UHFFFAOYSA-N 1 0 239.319 0.159 20 30 BCEDRO C=CCCCN(C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627185482 363440279 /nfs/dbraw/zinc/44/02/79/363440279.db2.gz GIONIEKRKJKAMD-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000346311151 354893149 /nfs/dbraw/zinc/89/31/49/354893149.db2.gz LCRMGISQUQGUNX-WCQYABFASA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCN(CC=C)C(=O)NCCOCC[NH2+]C ZINC000627179016 363427411 /nfs/dbraw/zinc/42/74/11/363427411.db2.gz ITWVRHGDOQIWLO-UHFFFAOYSA-N 1 0 241.335 0.606 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346456372 354948688 /nfs/dbraw/zinc/94/86/88/354948688.db2.gz OLRFKFFSPKTCDF-RYUDHWBXSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCOCCC[N@@H+]1C[C@H](C(N)=O)[C@H](C)C1 ZINC000346582085 355000773 /nfs/dbraw/zinc/00/07/73/355000773.db2.gz JKWHDNADURQWKX-MNOVXSKESA-N 1 0 226.320 0.632 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@H](C)[C@@H](C(N)=O)C1 ZINC000346582086 355000788 /nfs/dbraw/zinc/00/07/88/355000788.db2.gz JKWHDNADURQWKX-QWRGUYRKSA-N 1 0 226.320 0.632 20 30 BCEDRO C[N@H+](CC(=O)NC1(C#N)CCC1)C1CC1 ZINC000346822478 355125616 /nfs/dbraw/zinc/12/56/16/355125616.db2.gz KVIFOSVPPJKDKC-UHFFFAOYSA-N 1 0 207.277 0.643 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H]1CCCNC(=O)C1 ZINC000639232223 355213632 /nfs/dbraw/zinc/21/36/32/355213632.db2.gz CPRZZCOZFPDRJA-TUAOUCFPSA-N 1 0 238.331 0.978 20 30 BCEDRO C=CCOCC(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000347010570 355203979 /nfs/dbraw/zinc/20/39/79/355203979.db2.gz QTTFCDXKKHAKHG-GFCCVEGCSA-N 1 0 238.331 0.884 20 30 BCEDRO [NH2+]=C(NCc1ccoc1)NC[C@@H]1CCCO1 ZINC000195523245 181179014 /nfs/dbraw/zinc/17/90/14/181179014.db2.gz GGZDSUNDWKAGBW-JTQLQIEISA-N 1 0 223.276 0.863 20 30 BCEDRO CC[C@H](C(=O)N[C@H](C#N)C(C)C)[NH+](C)C ZINC000413396808 191375835 /nfs/dbraw/zinc/37/58/35/191375835.db2.gz FORXVWZOUPYESR-NXEZZACHSA-N 1 0 211.309 0.991 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H](O)CC(=O)OCC ZINC000383785780 355305717 /nfs/dbraw/zinc/30/57/17/355305717.db2.gz YHVOMNIOOQHPKI-VIFPVBQESA-N 1 0 201.266 0.418 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@H]2C[C@@H](O)C2)nn1 ZINC000623749228 355320222 /nfs/dbraw/zinc/32/02/22/355320222.db2.gz ZOFYTXLHEUSESL-KLPPZKSPSA-N 1 0 236.319 0.715 20 30 BCEDRO C=CCn1cc(C[NH2+]C[C@H](OC)C2CC2)nn1 ZINC000639273425 355346035 /nfs/dbraw/zinc/34/60/35/355346035.db2.gz DOKNLZMJNBDPDZ-LBPRGKRZSA-N 1 0 236.319 0.979 20 30 BCEDRO C[NH+](C)C[C@H]1CCCN1c1ccnc(C#N)n1 ZINC000383799882 355349860 /nfs/dbraw/zinc/34/98/60/355349860.db2.gz SQOJWDFJRSWILA-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@]1(OC)CCOC1 ZINC000639275693 355352772 /nfs/dbraw/zinc/35/27/72/355352772.db2.gz QMZYDSAFNACYRZ-RWMBFGLXSA-N 1 0 241.331 0.973 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000087509568 355353292 /nfs/dbraw/zinc/35/32/92/355353292.db2.gz LXHZZFSMYPWBQM-UWVGGRQHSA-N 1 0 225.292 0.125 20 30 BCEDRO C[C@@H](CNc1ncncc1C#N)[NH+](C)C ZINC000389594784 355355908 /nfs/dbraw/zinc/35/59/08/355355908.db2.gz OPKZDGCGUBBXEB-QMMMGPOBSA-N 1 0 205.265 0.132 20 30 BCEDRO C=C(C)C[N@H+](CC)CCN1C(=O)CNC1=O ZINC000104945140 355499222 /nfs/dbraw/zinc/49/92/22/355499222.db2.gz CJPHGFWXAGKQKK-UHFFFAOYSA-N 1 0 225.292 0.436 20 30 BCEDRO C[C@@H]1[C@@H]([NH+]2CCCC2)CCN1C(=O)CC#N ZINC000335798310 355455825 /nfs/dbraw/zinc/45/58/25/355455825.db2.gz ZVQCGVWEJGFJIC-MNOVXSKESA-N 1 0 221.304 0.985 20 30 BCEDRO C#CCNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000105062097 355601785 /nfs/dbraw/zinc/60/17/85/355601785.db2.gz KUQUAEDFCABQKN-SECBINFHSA-N 1 0 209.293 0.402 20 30 BCEDRO C=C(C)CC[N@@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000352045021 134045858 /nfs/dbraw/zinc/04/58/58/134045858.db2.gz IKOZWOZKKWIGAZ-NSHDSACASA-N 1 0 246.376 0.953 20 30 BCEDRO C[C@@H](CCC#N)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000582184154 355659850 /nfs/dbraw/zinc/65/98/50/355659850.db2.gz OIRCXQYKLWJIBS-NWDGAFQWSA-N 1 0 225.336 0.677 20 30 BCEDRO [NH3+]CCCNC(=O)NCC#Cc1ccccc1 ZINC000416939855 191772174 /nfs/dbraw/zinc/77/21/74/191772174.db2.gz DPVXCTRFWPJKDI-UHFFFAOYSA-N 1 0 231.299 0.686 20 30 BCEDRO C=CCSCCNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000417344066 191788723 /nfs/dbraw/zinc/78/87/23/191788723.db2.gz PNRBKUPCJRICPX-SNVBAGLBSA-N 1 0 243.376 0.896 20 30 BCEDRO CCC[N@H+](CC(N)=O)CC1(CC#N)CC1 ZINC000389601173 355704624 /nfs/dbraw/zinc/70/46/24/355704624.db2.gz UOQYFCJDCGXVCO-UHFFFAOYSA-N 1 0 209.293 0.878 20 30 BCEDRO C=CCSCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000417314872 191787813 /nfs/dbraw/zinc/78/78/13/191787813.db2.gz AKOIPRLSISQUIH-SECBINFHSA-N 1 0 231.365 0.894 20 30 BCEDRO C=C(C)C[NH+]1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC000106035873 355768942 /nfs/dbraw/zinc/76/89/42/355768942.db2.gz JCMJITKJKLAJEQ-UHFFFAOYSA-N 1 0 249.318 0.575 20 30 BCEDRO C=CCSCCNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000417348373 191790457 /nfs/dbraw/zinc/79/04/57/191790457.db2.gz YDUGGBNTHQNLJU-JTQLQIEISA-N 1 0 243.376 0.942 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000613485331 363455151 /nfs/dbraw/zinc/45/51/51/363455151.db2.gz KCHJFBMBWCPXBQ-UWVGGRQHSA-N 1 0 249.314 0.568 20 30 BCEDRO C=CCNC(=O)NCCOCC[NH+](CC)CC ZINC000350872535 355846203 /nfs/dbraw/zinc/84/62/03/355846203.db2.gz XSKZENIANQHBGI-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]([NH+](C)C)C1 ZINC000109804270 355858931 /nfs/dbraw/zinc/85/89/31/355858931.db2.gz CYZMHFVLZFLCHN-LLVKDONJSA-N 1 0 225.336 0.315 20 30 BCEDRO CC#CCC[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000336034304 134058935 /nfs/dbraw/zinc/05/89/35/134058935.db2.gz FULRBYLBWLMLKM-LBPRGKRZSA-N 1 0 208.305 0.416 20 30 BCEDRO CCNC(=O)N1CC[C@H]([NH2+]CC2(C)COC2)C1 ZINC000329209165 355904145 /nfs/dbraw/zinc/90/41/45/355904145.db2.gz YYMLVMIBSMGYMY-JTQLQIEISA-N 1 0 241.335 0.621 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2C[C@H](Cn3c(=O)cccc32)C1 ZINC000015954946 355885052 /nfs/dbraw/zinc/88/50/52/355885052.db2.gz LHFBOKBKJHKMNM-NWDGAFQWSA-N 1 0 228.295 0.901 20 30 BCEDRO N#Cc1cccc(CCNC(=O)NCC[NH3+])c1 ZINC000418152259 191991597 /nfs/dbraw/zinc/99/15/97/191991597.db2.gz UFRCYIRINXYPTP-UHFFFAOYSA-N 1 0 232.287 0.359 20 30 BCEDRO CC(C)[C@@H]([NH3+])CNC(=O)NCC1(CC#N)CC1 ZINC000418116443 191978895 /nfs/dbraw/zinc/97/88/95/191978895.db2.gz BCIOHQSWVWRVSF-JTQLQIEISA-N 1 0 238.335 0.963 20 30 BCEDRO CC(=O)N1CC(NC(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000329972854 356154216 /nfs/dbraw/zinc/15/42/16/356154216.db2.gz YHQZNBYDRAOMCR-JTQLQIEISA-N 1 0 225.292 0.268 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000418255393 192005496 /nfs/dbraw/zinc/00/54/96/192005496.db2.gz CAVLDCLSQUVKMC-JTQLQIEISA-N 1 0 211.309 0.989 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418255358 192005800 /nfs/dbraw/zinc/00/58/00/192005800.db2.gz BWJDBUJVCYWQRZ-LLVKDONJSA-N 1 0 241.335 0.630 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H](C)C[NH3+] ZINC000418248818 192006782 /nfs/dbraw/zinc/00/67/82/192006782.db2.gz IWUPBDLJEGCYRW-BBBLOLIVSA-N 1 0 227.308 0.224 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[NH2+]C ZINC000418258775 192006785 /nfs/dbraw/zinc/00/67/85/192006785.db2.gz WDOITLDTMOGCKS-ZJUUUORDSA-N 1 0 227.308 0.239 20 30 BCEDRO C=C(C)CCNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000418251177 192007163 /nfs/dbraw/zinc/00/71/63/192007163.db2.gz WJWLAQPIBAIPKD-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=C(CC)CNC(=O)NCC[NH2+]CCOC ZINC000418263935 192009573 /nfs/dbraw/zinc/00/95/73/192009573.db2.gz LYOTXKKIMLHZNW-UHFFFAOYSA-N 1 0 229.324 0.488 20 30 BCEDRO C=C(CC)CNC(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000418266033 192009909 /nfs/dbraw/zinc/00/99/09/192009909.db2.gz OJDXPMLVKCNTOX-JTQLQIEISA-N 1 0 227.308 0.322 20 30 BCEDRO C=C(C)CN1CC[NH+](CCC(=O)N(C)C)CC1 ZINC000351900308 356173120 /nfs/dbraw/zinc/17/31/20/356173120.db2.gz WSOBJFCIZIDLBP-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C=CCN(C(=O)[C@H]1CC[N@H+](C)C1)[C@H](C)COC ZINC000617578811 356147760 /nfs/dbraw/zinc/14/77/60/356147760.db2.gz RBGREABWUUCSBU-NEPJUHHUSA-N 1 0 240.347 0.988 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NCC1([NH3+])CCCCC1 ZINC000418294115 192019151 /nfs/dbraw/zinc/01/91/51/192019151.db2.gz GSNJHUDCJUGAOG-JTQLQIEISA-N 1 0 241.335 0.494 20 30 BCEDRO CC(C)([NH3+])CNC(=O)NCC(C)(C)CC#N ZINC000418296570 192020150 /nfs/dbraw/zinc/02/01/50/192020150.db2.gz SSXNOSNNBFUUPG-UHFFFAOYSA-N 1 0 226.324 0.963 20 30 BCEDRO N#Cc1cccc(C#N)c1NC[C@@H]1C[NH2+]C[C@H]1O ZINC000420233993 192181815 /nfs/dbraw/zinc/18/18/15/192181815.db2.gz CDFOUYMSNUGZKA-NWDGAFQWSA-N 1 0 242.282 0.422 20 30 BCEDRO N#Cc1cccc(C#N)c1NC[C@H]1C[NH2+]C[C@H]1O ZINC000420233998 192182060 /nfs/dbraw/zinc/18/20/60/192182060.db2.gz CDFOUYMSNUGZKA-VXGBXAGGSA-N 1 0 242.282 0.422 20 30 BCEDRO C[NH2+]CCCNC(=O)NCC(C)(C)CC#N ZINC000418288482 192015446 /nfs/dbraw/zinc/01/54/46/192015446.db2.gz IFSACWVYNGLBPA-UHFFFAOYSA-N 1 0 226.324 0.835 20 30 BCEDRO C=CCCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000617616924 356192574 /nfs/dbraw/zinc/19/25/74/356192574.db2.gz NIZRUIYGHIGEOC-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO CC(C)(CC#N)CNC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418293710 192018539 /nfs/dbraw/zinc/01/85/39/192018539.db2.gz POUXQICTGJTJHF-JTQLQIEISA-N 1 0 238.335 0.963 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@@H]([NH2+]C)C2)C1=O ZINC000420282038 192199508 /nfs/dbraw/zinc/19/95/08/192199508.db2.gz BBUYDXVDGJSSKI-NEPJUHHUSA-N 1 0 237.347 0.457 20 30 BCEDRO C=CCN1CC[C@@H](N2CCCC[C@H]2C[NH3+])C1=O ZINC000420288436 192202198 /nfs/dbraw/zinc/20/21/98/192202198.db2.gz HAAARLBAAVMKLP-NWDGAFQWSA-N 1 0 237.347 0.587 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[C@H](C)[NH+](C)C ZINC000617762374 356320169 /nfs/dbraw/zinc/32/01/69/356320169.db2.gz NNGPKCIFGSTBER-GXSJLCMTSA-N 1 0 214.309 0.380 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420347921 192217020 /nfs/dbraw/zinc/21/70/20/192217020.db2.gz IRVKASJACFLBBQ-UTUOFQBUSA-N 1 0 237.347 0.503 20 30 BCEDRO C=CCN1CC[C@H](N(C2CC2)[C@@H]2CC[NH2+]C2)C1=O ZINC000420308095 192211411 /nfs/dbraw/zinc/21/14/11/192211411.db2.gz CKEWKDKRNZXQIV-OLZOCXBDSA-N 1 0 249.358 0.600 20 30 BCEDRO C=CCN1CC[C@H](N(C)[C@@H](C[NH3+])C2CC2)C1=O ZINC000420317859 192212093 /nfs/dbraw/zinc/21/20/93/192212093.db2.gz OYNNLCBKCXCJSQ-RYUDHWBXSA-N 1 0 237.347 0.442 20 30 BCEDRO C=CCNC(=O)[C@H](C)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000420366267 192225963 /nfs/dbraw/zinc/22/59/63/192225963.db2.gz LZFMRFJLUPUCEI-WHOHXGKFSA-N 1 0 239.363 0.653 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@H]3[NH2+]CC[C@@H]3C2)C1=O ZINC000420324348 192229896 /nfs/dbraw/zinc/22/98/96/192229896.db2.gz ZKZLOPWIGHAANO-UPJWGTAASA-N 1 0 249.358 0.457 20 30 BCEDRO C[N@@H+]1CCCC[C@@H]1CCC(=O)NCC#CCO ZINC000352188235 134099461 /nfs/dbraw/zinc/09/94/61/134099461.db2.gz XLKBWDRVVOQTHL-GFCCVEGCSA-N 1 0 238.331 0.363 20 30 BCEDRO C=CCN1CC[C@H](N[C@](C)(C[NH3+])C(C)C)C1=O ZINC000420326766 192230610 /nfs/dbraw/zinc/23/06/10/192230610.db2.gz XPUZPBGNFOSDIV-WCQYABFASA-N 1 0 239.363 0.736 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1CCC1 ZINC000580407988 358502042 /nfs/dbraw/zinc/50/20/42/358502042.db2.gz FDZLHGJPSBGJRC-LBPRGKRZSA-N 1 0 225.336 0.582 20 30 BCEDRO C=CCNC(=O)[C@H](C)N[C@@H]1[C@H](C)CC[NH2+][C@H]1C ZINC000420366266 192225551 /nfs/dbraw/zinc/22/55/51/192225551.db2.gz LZFMRFJLUPUCEI-NOOOWODRSA-N 1 0 239.363 0.653 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H](C)C[C@@H]1C[NH3+] ZINC000420425649 192243713 /nfs/dbraw/zinc/24/37/13/192243713.db2.gz SPCVXZQPGZCWEZ-WDEREUQCSA-N 1 0 246.376 0.952 20 30 BCEDRO COCC[N@H+](C)CCCNc1cncc(C#N)n1 ZINC000420590651 192248010 /nfs/dbraw/zinc/24/80/10/192248010.db2.gz WAGGXMWQPDLDCT-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO C[C@H](CC#N)N[C@H]1CCN(c2cnn(C)c2)C1=O ZINC000609804209 356473925 /nfs/dbraw/zinc/47/39/25/356473925.db2.gz FCIHUMKGEAJLST-KOLCDFICSA-N 1 0 247.302 0.417 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCCC[NH3+] ZINC000237571971 363472374 /nfs/dbraw/zinc/47/23/74/363472374.db2.gz LVHUEGPXSJXOHT-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO C[C@H]1C[N@H+](CCO)CCN1Cc1ccc(C#N)o1 ZINC000449787430 202038453 /nfs/dbraw/zinc/03/84/53/202038453.db2.gz VLUGJKCTAZWTIS-NSHDSACASA-N 1 0 249.314 0.650 20 30 BCEDRO C=C(CC)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000578127940 366288979 /nfs/dbraw/zinc/28/89/79/366288979.db2.gz WHSFSPNSKZMUNK-LBPRGKRZSA-N 1 0 225.336 0.749 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@]23CCOC3)C1=O ZINC000421017623 192303653 /nfs/dbraw/zinc/30/36/53/192303653.db2.gz KJHWVGYHNQNADL-AAEUAGOBSA-N 1 0 236.315 0.638 20 30 BCEDRO CC#CC[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000639658391 356565969 /nfs/dbraw/zinc/56/59/69/356565969.db2.gz GTJPMGHILNWLAM-SNVBAGLBSA-N 1 0 204.277 0.721 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC(=O)N(C)C ZINC000639662813 356576443 /nfs/dbraw/zinc/57/64/43/356576443.db2.gz HMWZHKKJCXWFPK-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C=C(C)CN(CC)C(=O)NCCOCCC[NH3+] ZINC000627208071 363504303 /nfs/dbraw/zinc/50/43/03/363504303.db2.gz GVUJNVNNKMUOTP-UHFFFAOYSA-N 1 0 243.351 0.959 20 30 BCEDRO C=CC[C@H](C)NC(=O)NCCOCCC[NH3+] ZINC000627212618 363507368 /nfs/dbraw/zinc/50/73/68/363507368.db2.gz OTMCVGSZTUBOJL-JTQLQIEISA-N 1 0 229.324 0.616 20 30 BCEDRO CN(C)C(=O)C[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000336327863 134143563 /nfs/dbraw/zinc/14/35/63/134143563.db2.gz YMAXLZNYRVMUKN-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO CC[N@@H+]1C[C@@H](C)N(C(=O)CC#N)C[C@H]1C ZINC000336347885 134144288 /nfs/dbraw/zinc/14/42/88/134144288.db2.gz PEOYDDLFVTYAPN-NXEZZACHSA-N 1 0 209.293 0.841 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000613578830 363521768 /nfs/dbraw/zinc/52/17/68/363521768.db2.gz DUNGSENNPJUZBT-QWRGUYRKSA-N 1 0 226.320 0.522 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000613579833 363522624 /nfs/dbraw/zinc/52/26/24/363522624.db2.gz WJSHVWHBAUTUDW-YPMHNXCESA-N 1 0 240.347 0.912 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000613579831 363523106 /nfs/dbraw/zinc/52/31/06/363523106.db2.gz WJSHVWHBAUTUDW-DGCLKSJQSA-N 1 0 240.347 0.912 20 30 BCEDRO CN(CC(=O)NC1CC1)CC1(C#N)CCC1 ZINC000450249258 202109076 /nfs/dbraw/zinc/10/90/76/202109076.db2.gz WWTHSUPUTZVIRB-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO N#CCCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000331042306 134148724 /nfs/dbraw/zinc/14/87/24/134148724.db2.gz RDJGLHCTADKQFD-UHFFFAOYSA-N 1 0 222.292 0.666 20 30 BCEDRO C#CC[N@H+]1C[C@@H](N2CCOCC2)C[C@@H]1C ZINC000367133630 134150824 /nfs/dbraw/zinc/15/08/24/134150824.db2.gz OLCBNYKIDSXOOL-RYUDHWBXSA-N 1 0 208.305 0.415 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000352951148 134158490 /nfs/dbraw/zinc/15/84/90/134158490.db2.gz ZZZTYCVUNXPBLW-AAEUAGOBSA-N 1 0 240.347 0.772 20 30 BCEDRO CCOC[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000113938117 134161762 /nfs/dbraw/zinc/16/17/62/134161762.db2.gz IZIHXILGVLGTKC-LLVKDONJSA-N 1 0 239.319 0.375 20 30 BCEDRO N#CCCCC[N@H+]1C[C@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353119667 134162124 /nfs/dbraw/zinc/16/21/24/134162124.db2.gz OQTISBGCJNCHLV-GHMZBOCLSA-N 1 0 242.344 0.799 20 30 BCEDRO CO[C@@H](C)C[N@H+](C)[C@H](C)C(=O)N(C)CCC#N ZINC000353255863 134162791 /nfs/dbraw/zinc/16/27/91/134162791.db2.gz PSRCOLKFJFVYAO-WDEREUQCSA-N 1 0 241.335 0.714 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1 ZINC000353367635 134163343 /nfs/dbraw/zinc/16/33/43/134163343.db2.gz CSMLGXFJQKHOSE-WDEREUQCSA-N 1 0 224.304 0.257 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000355118888 134171840 /nfs/dbraw/zinc/17/18/40/134171840.db2.gz CCFRMDUVIWPTNS-LLVKDONJSA-N 1 0 221.304 0.546 20 30 BCEDRO CC(C)=CCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262423346 535345251 /nfs/dbraw/zinc/34/52/51/535345251.db2.gz BTZRQSOCBMPTAG-JTQLQIEISA-N 1 0 211.309 0.988 20 30 BCEDRO C=CCCC[N@@H+]1CCO[C@@H](Cn2ccnn2)C1 ZINC000639862642 356871011 /nfs/dbraw/zinc/87/10/11/356871011.db2.gz XMEFTJGCVAGKJI-GFCCVEGCSA-N 1 0 236.319 0.945 20 30 BCEDRO C[C@H](CNc1ccncc1C#N)C[NH+](C)C ZINC000390509572 356878998 /nfs/dbraw/zinc/87/89/98/356878998.db2.gz YWTPCPQOUFNULB-SNVBAGLBSA-N 1 0 218.304 0.985 20 30 BCEDRO C[C@@H](CNc1ccncc1C#N)C[NH+](C)C ZINC000390509568 356879233 /nfs/dbraw/zinc/87/92/33/356879233.db2.gz YWTPCPQOUFNULB-JTQLQIEISA-N 1 0 218.304 0.985 20 30 BCEDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1CC#Cc1ccccc1 ZINC000639851093 356855261 /nfs/dbraw/zinc/85/52/61/356855261.db2.gz YZENPBZMULHEPL-LSDHHAIUSA-N 1 0 245.322 0.856 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H](C)[NH+]1CCCCCC1 ZINC000356835901 134180006 /nfs/dbraw/zinc/18/00/06/134180006.db2.gz MPCXLBLMIOTIHC-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C[NH+](C)CCN(Cc1ccccn1)C(=O)CC#N ZINC000356596042 134178725 /nfs/dbraw/zinc/17/87/25/134178725.db2.gz PKNGCLPZPICLLF-UHFFFAOYSA-N 1 0 246.314 0.885 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000362485555 356945622 /nfs/dbraw/zinc/94/56/22/356945622.db2.gz OJKHJTQTJSRIDD-LBPRGKRZSA-N 1 0 240.347 0.989 20 30 BCEDRO C#CCC[NH+]1CCC(N2CCC[C@H]2C(N)=O)CC1 ZINC000362482397 356945915 /nfs/dbraw/zinc/94/59/15/356945915.db2.gz AWFVSSKVERJLGG-ZDUSSCGKSA-N 1 0 249.358 0.424 20 30 BCEDRO CC[C@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000358210812 134187079 /nfs/dbraw/zinc/18/70/79/134187079.db2.gz POFOVIUPXMVSEK-MNOVXSKESA-N 1 0 239.319 0.252 20 30 BCEDRO C=CC[N@@H+](CCCS(=O)(=O)N(C)C)C1CC1 ZINC000357527325 134183744 /nfs/dbraw/zinc/18/37/44/134183744.db2.gz JBXBTIGDZLNVGF-UHFFFAOYSA-N 1 0 246.376 0.918 20 30 BCEDRO CC[NH2+]CCNC(=O)C1(C#N)CCCC1 ZINC000582427511 357145457 /nfs/dbraw/zinc/14/54/57/357145457.db2.gz AOHXQDKNGFKKOJ-UHFFFAOYSA-N 1 0 209.293 0.796 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)NCC(C)(C)C#N ZINC000358631206 134191425 /nfs/dbraw/zinc/19/14/25/134191425.db2.gz YUYZTPUFQDECNM-UHFFFAOYSA-N 1 0 226.324 0.739 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)CCCC[NH+](C)C ZINC000582398029 357130308 /nfs/dbraw/zinc/13/03/08/357130308.db2.gz OOLSHYFRIIMGLX-LBPRGKRZSA-N 1 0 241.335 0.763 20 30 BCEDRO C=CCCNC(=O)[C@@H]([NH3+])CCSC ZINC000168807485 357240266 /nfs/dbraw/zinc/24/02/66/357240266.db2.gz WXBGGWUAEIUUNT-QMMMGPOBSA-N 1 0 202.323 0.759 20 30 BCEDRO CC(C)(C[NH2+]C[C@H](C#N)CCC#N)OCCO ZINC000583693908 357183407 /nfs/dbraw/zinc/18/34/07/357183407.db2.gz PIWXZUBDROHGIW-NSHDSACASA-N 1 0 239.319 0.807 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)CCCC#N ZINC000360040008 134198404 /nfs/dbraw/zinc/19/84/04/134198404.db2.gz VUCCKLMVXCRHPY-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@H]([NH3+])C1 ZINC000582780001 357390812 /nfs/dbraw/zinc/39/08/12/357390812.db2.gz BIYMHHRKVKYKTN-DCAQKATOSA-N 1 0 239.319 0.320 20 30 BCEDRO CCc1nn(CC[NH3+])c(=O)c(C#N)c1CC ZINC000582783179 357391933 /nfs/dbraw/zinc/39/19/33/357391933.db2.gz JGARZINPBRTDGN-UHFFFAOYSA-N 1 0 220.276 0.198 20 30 BCEDRO CC(C)OC(=O)CCCNC1=[NH+]CCCN1 ZINC000360685366 134201820 /nfs/dbraw/zinc/20/18/20/134201820.db2.gz XBFPYGLCLXIIFZ-UHFFFAOYSA-N 1 0 227.308 0.657 20 30 BCEDRO CC(=O)N[C@@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000583148890 357495303 /nfs/dbraw/zinc/49/53/03/357495303.db2.gz SHBFPAVPRTUHEE-GXSJLCMTSA-N 1 0 209.293 0.889 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CCC(CC#N)CC1 ZINC000397187303 357508923 /nfs/dbraw/zinc/50/89/23/357508923.db2.gz MODMSMYWEQGQND-ZDUSSCGKSA-N 1 0 239.363 0.925 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](C(=O)N2CCOCC2)C1 ZINC000054994073 363583271 /nfs/dbraw/zinc/58/32/71/363583271.db2.gz BEPDKHBYSQNELQ-GFCCVEGCSA-N 1 0 236.315 0.190 20 30 BCEDRO C[NH+]1CCN(Cc2cncc(C#N)c2)CC1 ZINC000260789693 538850622 /nfs/dbraw/zinc/85/06/22/538850622.db2.gz ILLJLWLRPUGQLN-UHFFFAOYSA-N 1 0 216.288 0.701 20 30 BCEDRO C[C@H]1C(=O)NCCC[N@H+]1CCCCC#N ZINC000189308914 357631087 /nfs/dbraw/zinc/63/10/87/357631087.db2.gz SNXBKVGDJVMSFV-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C=C[C@@H](C)NC(=O)NCC[N@@H+](C)CCCOC ZINC000362380323 134210520 /nfs/dbraw/zinc/21/05/20/134210520.db2.gz POLHCUSFKHOSDC-LLVKDONJSA-N 1 0 243.351 0.828 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)CCC ZINC000063761919 357717619 /nfs/dbraw/zinc/71/76/19/357717619.db2.gz XZQIKIKCKSMKAH-UHFFFAOYSA-N 1 0 213.281 0.340 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N1CCC(C#N)CC1 ZINC000362661824 134213537 /nfs/dbraw/zinc/21/35/37/134213537.db2.gz GLHQJOICRBNPDN-PWSUYJOCSA-N 1 0 235.331 0.946 20 30 BCEDRO C#CCN1CC[N@H+](C2CCN(C)CC2)[C@H](C)C1 ZINC000362639477 134213577 /nfs/dbraw/zinc/21/35/77/134213577.db2.gz KSJRPIWLRWRJOD-CYBMUJFWSA-N 1 0 235.375 0.720 20 30 BCEDRO C=C(C)COCCNC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000362912584 134214864 /nfs/dbraw/zinc/21/48/64/134214864.db2.gz HCSKCFPTDMSBIM-NEPJUHHUSA-N 1 0 240.347 0.893 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NCCOCC[NH+](C)C ZINC000234085583 357778109 /nfs/dbraw/zinc/77/81/09/357778109.db2.gz JXGARQHZNMJKSG-GFCCVEGCSA-N 1 0 241.335 0.621 20 30 BCEDRO C=CC[N@@H+](CCOC)CCC(=O)NCC ZINC000191107792 357751019 /nfs/dbraw/zinc/75/10/19/357751019.db2.gz IQHKEPPHMFLCNQ-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NCCOCC[NH+](C)C ZINC000233956412 357763472 /nfs/dbraw/zinc/76/34/72/357763472.db2.gz JXGARQHZNMJKSG-LBPRGKRZSA-N 1 0 241.335 0.621 20 30 BCEDRO C=CCNC(=O)CN(C)CC[NH+]1CCCC1 ZINC000118887781 134223215 /nfs/dbraw/zinc/22/32/15/134223215.db2.gz KTPCETMDRTYOCH-UHFFFAOYSA-N 1 0 225.336 0.316 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCOCC[C@@H]2C)C1=O ZINC000369195690 134221842 /nfs/dbraw/zinc/22/18/42/134221842.db2.gz VVNPUZGUUOFBNU-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CCCCC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000192489545 357835510 /nfs/dbraw/zinc/83/55/10/357835510.db2.gz NRMVWPRIFOHBMF-TXEJJXNPSA-N 1 0 220.316 0.810 20 30 BCEDRO C=CCCS(=O)(=O)N1[C@@H]2CC[C@H]1C[C@H]([NH3+])C2 ZINC000370094673 134224213 /nfs/dbraw/zinc/22/42/13/134224213.db2.gz ZODUICBYJWNRMP-RTCCRHLQSA-N 1 0 244.360 0.846 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000192664390 357842879 /nfs/dbraw/zinc/84/28/79/357842879.db2.gz PWBACDUYAXZKOY-LLVKDONJSA-N 1 0 223.276 0.237 20 30 BCEDRO C[C@@H]1CC(=O)NCC[N@@H+]1CCCCC#N ZINC000371203382 134227646 /nfs/dbraw/zinc/22/76/46/134227646.db2.gz AMLDJGIUFSSZFV-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C[C@H]1CC(=O)NCC[N@@H+]1CCCSCC#N ZINC000371204956 134228006 /nfs/dbraw/zinc/22/80/06/134228006.db2.gz LRTYTMFPZBVOLE-JTQLQIEISA-N 1 0 241.360 0.844 20 30 BCEDRO COCCC[N@@H+]1CCCN(C(=O)CC#N)CC1 ZINC000373489288 134234463 /nfs/dbraw/zinc/23/44/63/134234463.db2.gz KCUCYDHYMSUYPP-UHFFFAOYSA-N 1 0 239.319 0.471 20 30 BCEDRO CCCCNC(=[NH2+])NC[C@@H]1CN(C)CCO1 ZINC000303970209 134235674 /nfs/dbraw/zinc/23/56/74/134235674.db2.gz CKHMJFSAJQXOSA-SNVBAGLBSA-N 1 0 228.340 0.021 20 30 BCEDRO CC(C)(CO)[NH+]1CCN(CCC#N)CC1 ZINC000610481252 357950963 /nfs/dbraw/zinc/95/09/63/357950963.db2.gz USZWYXXROJNRJQ-UHFFFAOYSA-N 1 0 211.309 0.289 20 30 BCEDRO C#CC[N@H+]1C[C@H]2CCC[C@@]2(C(=O)OC)C1 ZINC000374647997 134238010 /nfs/dbraw/zinc/23/80/10/134238010.db2.gz POCOBBLFBAYBNL-ZYHUDNBSSA-N 1 0 207.273 0.895 20 30 BCEDRO C=CCOCC[NH2+][C@@](C)(CO)COC ZINC000639956048 357978209 /nfs/dbraw/zinc/97/82/09/357978209.db2.gz BTAITJGWNASSJI-JTQLQIEISA-N 1 0 203.282 0.176 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@](C)(CO)COC ZINC000639956740 357980213 /nfs/dbraw/zinc/98/02/13/357980213.db2.gz YIAOKYFVZPRUMU-MNOVXSKESA-N 1 0 217.309 0.301 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@](C)(CO)COC ZINC000639956741 357980264 /nfs/dbraw/zinc/98/02/64/357980264.db2.gz YIAOKYFVZPRUMU-QWRGUYRKSA-N 1 0 217.309 0.301 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCN1CCOC[C@@H]1C ZINC000584478671 357995920 /nfs/dbraw/zinc/99/59/20/357995920.db2.gz YUELPIXSZQESGQ-RYUDHWBXSA-N 1 0 225.336 0.989 20 30 BCEDRO N#CCSCCC[N@H+]1C[C@H](O)C[C@H](O)C1 ZINC000610604128 358015758 /nfs/dbraw/zinc/01/57/58/358015758.db2.gz BPHOJIDEFVWQRZ-AOOOYVTPSA-N 1 0 230.333 0.061 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCOC[C@H](C)C1 ZINC000378288501 134245765 /nfs/dbraw/zinc/24/57/65/134245765.db2.gz WBAKORIAXPFCMS-SNVBAGLBSA-N 1 0 212.293 0.257 20 30 BCEDRO C=CCNC(=O)CN(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000123431660 134243647 /nfs/dbraw/zinc/24/36/47/134243647.db2.gz KENOQZZDSPQHQN-RYUDHWBXSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@@H](O)COCC ZINC000583872179 358081835 /nfs/dbraw/zinc/08/18/35/358081835.db2.gz RRBJTMKMKIEATE-WDEREUQCSA-N 1 0 217.309 0.158 20 30 BCEDRO CC[N@@H+]1CCN(c2cncc(C#N)n2)[C@H](C)C1 ZINC000584583903 358096811 /nfs/dbraw/zinc/09/68/11/358096811.db2.gz QTIKWWZOIXFSCR-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCCO[C@@H](C)C1 ZINC000170770397 134253480 /nfs/dbraw/zinc/25/34/80/134253480.db2.gz DKGTYJBZPCKPQY-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCC1(C)C ZINC000583879745 358114322 /nfs/dbraw/zinc/11/43/22/358114322.db2.gz ATODAEIRRYVEGU-VIFPVBQESA-N 1 0 239.319 0.776 20 30 BCEDRO C[NH+](C)[C@H](CNC(=O)CSCC#N)C1CC1 ZINC000055719703 363598965 /nfs/dbraw/zinc/59/89/65/363598965.db2.gz WSUXZTWRHSECNZ-SNVBAGLBSA-N 1 0 241.360 0.700 20 30 BCEDRO CC[C@H](O)C[NH+]1CCN([C@H](C#N)C(C)C)CC1 ZINC000610762204 358146419 /nfs/dbraw/zinc/14/64/19/358146419.db2.gz CBUJWKSLXWEFFW-QWHCGFSZSA-N 1 0 239.363 0.923 20 30 BCEDRO CN(Cc1ccc(C#N)cc1)[C@@H]1CC(=O)NC1=O ZINC000584728568 358167270 /nfs/dbraw/zinc/16/72/70/358167270.db2.gz PIORIAIIGYOVOF-LLVKDONJSA-N 1 0 243.266 0.405 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N(C)CCC#N)C1 ZINC000040718199 358245460 /nfs/dbraw/zinc/24/54/60/358245460.db2.gz AYXWQTBSMWHKBD-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N(C)CCC#N)C1 ZINC000040718198 358245471 /nfs/dbraw/zinc/24/54/71/358245471.db2.gz AYXWQTBSMWHKBD-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO CCNC(=[NH2+])NCCc1ccccc1O ZINC000264095973 535423292 /nfs/dbraw/zinc/42/32/92/535423292.db2.gz MQEHSIPRQRONFL-UHFFFAOYSA-N 1 0 207.277 0.859 20 30 BCEDRO CCNC(=[NH2+])NC[C@@]1(O)CCc2ccccc21 ZINC000269725164 535423539 /nfs/dbraw/zinc/42/35/39/535423539.db2.gz WGHRMWVFKSXNSV-ZDUSSCGKSA-N 1 0 233.315 0.745 20 30 BCEDRO CCNC(=[NH2+])NCc1cccn(CC)c1=O ZINC000262723110 535424210 /nfs/dbraw/zinc/42/42/10/535424210.db2.gz GGVCYFRYDIIIPC-UHFFFAOYSA-N 1 0 222.292 0.292 20 30 BCEDRO CCNC(=[NH2+])NCc1nccn1C(F)F ZINC000264064918 535424222 /nfs/dbraw/zinc/42/42/22/535424222.db2.gz ATTJLIUBVADWKW-UHFFFAOYSA-N 1 0 217.223 0.702 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(N(C)C)nc1 ZINC000264106756 535424365 /nfs/dbraw/zinc/42/43/65/535424365.db2.gz PSZWRDOZSYEOKZ-UHFFFAOYSA-N 1 0 221.308 0.572 20 30 BCEDRO CCNC(=[NH2+])NCc1nncn1-c1ccccc1 ZINC000264129224 535424369 /nfs/dbraw/zinc/42/43/69/535424369.db2.gz XKEXGBDNIPJWNE-UHFFFAOYSA-N 1 0 244.302 0.692 20 30 BCEDRO C[NH2+]CCNS(=O)(=O)c1ccc(C#N)s1 ZINC000230369442 358397901 /nfs/dbraw/zinc/39/79/01/358397901.db2.gz RWGROBWHZDIJDN-UHFFFAOYSA-N 1 0 245.329 0.117 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000044826005 358556938 /nfs/dbraw/zinc/55/69/38/358556938.db2.gz ZGOWJQUMLVECOO-OUAUKWLOSA-N 1 0 221.304 0.889 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H]1CCCN(S(C)(=O)=O)C1 ZINC000127151536 358560519 /nfs/dbraw/zinc/56/05/19/358560519.db2.gz MUCCWSXHDAZQIV-NSHDSACASA-N 1 0 246.376 0.776 20 30 BCEDRO C=C[C@@H](C)NC(=O)NCCC[N@@H+](C)CCOC ZINC000128432362 358575827 /nfs/dbraw/zinc/57/58/27/358575827.db2.gz DJKRBVZBBDFJNN-LLVKDONJSA-N 1 0 243.351 0.828 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CCC)CC(=O)NC ZINC000129057172 358583541 /nfs/dbraw/zinc/58/35/41/358583541.db2.gz ZASBWHZBJJEJAF-NSHDSACASA-N 1 0 228.336 0.772 20 30 BCEDRO C#CC[N@H+]1CCCC[C@@H]1[C@H]1CNC(=O)C1 ZINC000125021724 358532318 /nfs/dbraw/zinc/53/23/18/358532318.db2.gz BTLYCBUXXBHZDV-GHMZBOCLSA-N 1 0 206.289 0.610 20 30 BCEDRO CCn1nccc1C[NH2+]C1CCN(CC#N)CC1 ZINC000611080834 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358898019 /nfs/dbraw/zinc/89/80/19/358898019.db2.gz XEVALFGFFOTOAW-LLVKDONJSA-N 1 0 230.271 0.274 20 30 BCEDRO CCC#C[C@H](C)N1CCO[C@@H](C(=O)OC)C1 ZINC000611158388 358902750 /nfs/dbraw/zinc/90/27/50/358902750.db2.gz UJFLDSGNMFFKEF-WDEREUQCSA-N 1 0 225.288 0.662 20 30 BCEDRO COCC[C@@H](C)[NH+]1CCN(CCC#N)CC1 ZINC000611175812 358935536 /nfs/dbraw/zinc/93/55/36/358935536.db2.gz NAONCZXFVVAZIY-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO C=CCCC(=O)N1CC[NH+](CC(C)(C)O)CC1 ZINC000070942827 359066792 /nfs/dbraw/zinc/06/67/92/359066792.db2.gz JGOOPACXHOXYKT-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H]1CN1CCOCC1 ZINC000075889791 359244403 /nfs/dbraw/zinc/24/44/03/359244403.db2.gz LENXPCDNSDZMMF-ZDUSSCGKSA-N 1 0 222.332 0.806 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](C(=O)OC)C1 ZINC000611237438 359204918 /nfs/dbraw/zinc/20/49/18/359204918.db2.gz KECJAULFBPEMGF-VHSXEESVSA-N 1 0 213.277 0.418 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000613800238 363642803 /nfs/dbraw/zinc/64/28/03/363642803.db2.gz VVWNAWJEVPVVLZ-LBPRGKRZSA-N 1 0 240.347 0.866 20 30 BCEDRO N#CCCN1CC[NH+](CCCn2ccnc2)CC1 ZINC000611432033 359363823 /nfs/dbraw/zinc/36/38/23/359363823.db2.gz JCGPIRSZCQWBBD-UHFFFAOYSA-N 1 0 247.346 0.804 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H](N(C)C)[C@@H](SC)C1 ZINC000611432660 359364787 /nfs/dbraw/zinc/36/47/87/359364787.db2.gz IEULRDGGFZUZRR-WOPDTQHZSA-N 1 0 244.404 0.901 20 30 BCEDRO COCC#CC[NH2+][C@H]1CCC[C@H]1CCO ZINC000308904095 491140030 /nfs/dbraw/zinc/14/00/30/491140030.db2.gz CBPKHHHWXAUYGN-RYUDHWBXSA-N 1 0 211.305 0.777 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)c2c[nH]c(C#N)c2)C1 ZINC000611471877 359376558 /nfs/dbraw/zinc/37/65/58/359376558.db2.gz CSZFBSRZHYITJN-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000285011486 359320939 /nfs/dbraw/zinc/32/09/39/359320939.db2.gz HDEOBBSUDZXXNH-VIFPVBQESA-N 1 0 243.332 0.661 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CSC[C@@H]1C ZINC000285880726 359327900 /nfs/dbraw/zinc/32/79/00/359327900.db2.gz JJVXZTLPTKBDTE-IUCAKERBSA-N 1 0 214.334 0.630 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3ccc(C#N)nn3)[C@H]2C1 ZINC000611510310 359380416 /nfs/dbraw/zinc/38/04/16/359380416.db2.gz WNYZLSOLMYANOU-JQWIXIFHSA-N 1 0 243.314 0.879 20 30 BCEDRO N#CCC1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000611687778 359421787 /nfs/dbraw/zinc/42/17/87/359421787.db2.gz FUVJBDQPYHXPNO-UHFFFAOYSA-N 1 0 249.314 0.761 20 30 BCEDRO CO[C@H](C)C[NH+]1CCN(CCC#N)CC1 ZINC000611794033 359452653 /nfs/dbraw/zinc/45/26/53/359452653.db2.gz HRLMYIDNLGVTBH-LLVKDONJSA-N 1 0 211.309 0.553 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CCC(N)=O ZINC000572394829 359482759 /nfs/dbraw/zinc/48/27/59/359482759.db2.gz WULCDNZBXGGZKT-ONGXEEELSA-N 1 0 212.293 0.433 20 30 BCEDRO Cc1ccncc1[C@H](C)[NH2+]CC(=O)NCC#N ZINC000611938952 359484662 /nfs/dbraw/zinc/48/46/62/359484662.db2.gz CZILYBIELMJIJK-JTQLQIEISA-N 1 0 232.287 0.680 20 30 BCEDRO COCC#CC[NH2+][C@@H](C)Cn1cccn1 ZINC000308944684 491140818 /nfs/dbraw/zinc/14/08/18/491140818.db2.gz NJIKJYGOXCRCRX-NSHDSACASA-N 1 0 207.277 0.511 20 30 BCEDRO COCC#CC[NH2+][C@@H](CO)C1CCCC1 ZINC000308970607 491141287 /nfs/dbraw/zinc/14/12/87/491141287.db2.gz ZDWGZXHYQUSZES-LBPRGKRZSA-N 1 0 211.305 0.777 20 30 BCEDRO Cn1cc(C[N@@H+]2CCC[C@H](C(N)=O)C2)cc1C#N ZINC000191149038 359533360 /nfs/dbraw/zinc/53/33/60/359533360.db2.gz ODVBHEQROUYYQF-NSHDSACASA-N 1 0 246.314 0.594 20 30 BCEDRO C=CCCn1cc(C(=O)N(C)[C@@H](C)C[NH3+])nn1 ZINC000424073366 192859948 /nfs/dbraw/zinc/85/99/48/192859948.db2.gz FGXMJRBANHBFQP-VIFPVBQESA-N 1 0 237.307 0.273 20 30 BCEDRO CCN(CCO)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000249038715 359629918 /nfs/dbraw/zinc/62/99/18/359629918.db2.gz UAYUGOKXBIIAJH-OLZOCXBDSA-N 1 0 239.363 0.973 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000612304388 359778145 /nfs/dbraw/zinc/77/81/45/359778145.db2.gz OSSKBMNOTOSQCH-CDMKHQONSA-N 1 0 238.331 0.522 20 30 BCEDRO C[C@H]1C[N@H+](CCO)CCN1c1cc(C#N)ccn1 ZINC000450952200 202318116 /nfs/dbraw/zinc/31/81/16/202318116.db2.gz HJKNDMNYJOVCRG-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO C[C@H]1C[N@H+](CCO)CCN1c1ccc(C#N)nc1 ZINC000450952751 202318400 /nfs/dbraw/zinc/31/84/00/202318400.db2.gz IXZCISYYZNZDSP-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451137673 202361952 /nfs/dbraw/zinc/36/19/52/202361952.db2.gz JGNRCMCHQLRTBK-OLZOCXBDSA-N 1 0 240.347 0.594 20 30 BCEDRO CC#CCC[N@H+](C)[C@@H]1CCN2CCO[C@H]1C2 ZINC000451136232 202362937 /nfs/dbraw/zinc/36/29/37/202362937.db2.gz FEUHRBMNFZOMSL-OLZOCXBDSA-N 1 0 222.332 0.805 20 30 BCEDRO CC[C@@H](C[NH+]1CCCC1)NC(=O)CC#N ZINC000613958940 363692250 /nfs/dbraw/zinc/69/22/50/363692250.db2.gz HZAKTUIGXCDZFV-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000613966551 363693113 /nfs/dbraw/zinc/69/31/13/363693113.db2.gz BPBRXHNXQGEBGI-AAEUAGOBSA-N 1 0 240.347 0.722 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[N@H+](C)[C@H](C(C)C)C1 ZINC000613967814 363693299 /nfs/dbraw/zinc/69/32/99/363693299.db2.gz KNHFSSQABNFFPJ-WDEREUQCSA-N 1 0 226.320 0.332 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCOC[C@H](O)C1 ZINC000451225633 202381526 /nfs/dbraw/zinc/38/15/26/202381526.db2.gz GVDVPVYDHWRSQM-WDEREUQCSA-N 1 0 215.293 0.007 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCN2CCCC2=O)C1 ZINC000578659564 366621696 /nfs/dbraw/zinc/62/16/96/366621696.db2.gz WRDIENDOSVSDLO-GHMZBOCLSA-N 1 0 221.304 0.891 20 30 BCEDRO CC#CCCNC(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000487231130 259506870 /nfs/dbraw/zinc/50/68/70/259506870.db2.gz YXNOFHWTHVLLMQ-QWRGUYRKSA-N 1 0 208.305 0.714 20 30 BCEDRO Cc1nc(C#N)c(C#N)n1CC[C@H]1CC[NH2+]C1 ZINC000578623852 366610426 /nfs/dbraw/zinc/61/04/26/366610426.db2.gz PWHQAVPAHPVOJI-SNVBAGLBSA-N 1 0 229.287 0.934 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)CCC[NH3+] ZINC000578730677 366634115 /nfs/dbraw/zinc/63/41/15/366634115.db2.gz YANBDUHXNQZQED-MNOVXSKESA-N 1 0 241.335 0.710 20 30 BCEDRO N#CCCNC[C@@H]1CCC[N@H+]1CCCO ZINC000578868269 366661633 /nfs/dbraw/zinc/66/16/33/366661633.db2.gz WQRWXTUVRAFLEM-NSHDSACASA-N 1 0 211.309 0.336 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCN1CCO[C@@H](C)C1 ZINC000451606279 202448565 /nfs/dbraw/zinc/44/85/65/202448565.db2.gz HKDKIUZUEKSCBA-XQQFMLRXSA-N 1 0 240.347 0.640 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)C(F)(F)F ZINC000491692504 259509836 /nfs/dbraw/zinc/50/98/36/259509836.db2.gz RINDIWADQASTLL-QMMMGPOBSA-N 1 0 236.237 0.914 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CCC(C[NH+](C)C)CC1 ZINC000612795477 360074100 /nfs/dbraw/zinc/07/41/00/360074100.db2.gz CQAJBCDGTRYSDD-MCIGGMRASA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCN(CC)[C@@H](C)C1 ZINC000612950956 360205693 /nfs/dbraw/zinc/20/56/93/360205693.db2.gz ABGSJYYJWURKCQ-VHSXEESVSA-N 1 0 212.293 0.086 20 30 BCEDRO C=CCOCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612898514 360157932 /nfs/dbraw/zinc/15/79/32/360157932.db2.gz GFGUVZPBKYTBIJ-LLVKDONJSA-N 1 0 227.308 0.240 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000612983292 360225491 /nfs/dbraw/zinc/22/54/91/360225491.db2.gz LZFGGYUZBJWFFX-NSHDSACASA-N 1 0 235.331 0.841 20 30 BCEDRO C=CCN(C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612986187 360239138 /nfs/dbraw/zinc/23/91/38/360239138.db2.gz YDWSZMMPPVENJA-SNVBAGLBSA-N 1 0 223.320 0.956 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000309409068 491148798 /nfs/dbraw/zinc/14/87/98/491148798.db2.gz BKWLVVWSHHLWPG-MXWKQRLJSA-N 1 0 226.320 0.428 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000613168118 360470583 /nfs/dbraw/zinc/47/05/83/360470583.db2.gz CBOSUPRICXOPLZ-VIFPVBQESA-N 1 0 212.293 0.086 20 30 BCEDRO C=CCCOCC[NH2+]Cc1cnnn1CC ZINC000417950741 200822893 /nfs/dbraw/zinc/82/28/93/200822893.db2.gz KQAKUPORYXDYGO-UHFFFAOYSA-N 1 0 224.308 0.980 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)C2(C)COC2)CC1 ZINC000360527182 200828950 /nfs/dbraw/zinc/82/89/50/200828950.db2.gz IZLVGILEZXQHEC-UHFFFAOYSA-N 1 0 238.331 0.790 20 30 BCEDRO CCC[C@@H](O)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424111369 200861957 /nfs/dbraw/zinc/86/19/57/200861957.db2.gz AOXSLIKIJWNXAO-NXEZZACHSA-N 1 0 227.308 0.285 20 30 BCEDRO C=CCCn1cc(C(=O)N(C)CC[NH2+]C)nn1 ZINC000424151042 200868043 /nfs/dbraw/zinc/86/80/43/200868043.db2.gz HBKSKDJDSSVECC-UHFFFAOYSA-N 1 0 237.307 0.146 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H](C)CCOC)nn1 ZINC000424147147 200868814 /nfs/dbraw/zinc/86/88/14/200868814.db2.gz XTMKBPURNWANSF-JTQLQIEISA-N 1 0 224.308 0.979 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000424218371 200891909 /nfs/dbraw/zinc/89/19/09/200891909.db2.gz SSTUPTQDNYJJDR-HBNTYKKESA-N 1 0 237.303 0.173 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CC[C@@H]([NH3+])C2)C1 ZINC000424219069 200892861 /nfs/dbraw/zinc/89/28/61/200892861.db2.gz ZDIBCBYUYSLXBJ-UKKRHICBSA-N 1 0 221.304 0.922 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)[NH3+] ZINC000424213490 200890373 /nfs/dbraw/zinc/89/03/73/200890373.db2.gz UYRMSZUVFQXWAQ-IUCAKERBSA-N 1 0 212.293 0.431 20 30 BCEDRO C=CCNC(=[NH2+])NCCCc1c[nH]nc1C ZINC000066245147 361169957 /nfs/dbraw/zinc/16/99/57/361169957.db2.gz ODVVNBPTZWRHSO-UHFFFAOYSA-N 1 0 221.308 0.741 20 30 BCEDRO C=CCNC(=[NH2+])NCCCCCC(=O)OC ZINC000066245535 361170367 /nfs/dbraw/zinc/17/03/67/361170367.db2.gz TXBXHQSMXYWJEQ-UHFFFAOYSA-N 1 0 227.308 0.810 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1C[C@H]2C[C@@]2(O)C1 ZINC000640473660 361244485 /nfs/dbraw/zinc/24/44/85/361244485.db2.gz JVSCLXWILXGLLT-DGCLKSJQSA-N 1 0 236.315 0.254 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1Cc1ncc(C#N)cn1 ZINC000579224443 366737278 /nfs/dbraw/zinc/73/72/78/366737278.db2.gz OAQNQWSXOVSHRR-GFCCVEGCSA-N 1 0 245.330 0.874 20 30 BCEDRO C=CCOCC(=O)N1CCC([C@@H](C)[NH3+])CC1 ZINC000428903071 201048462 /nfs/dbraw/zinc/04/84/62/201048462.db2.gz YCRACJKWPKTBDI-SNVBAGLBSA-N 1 0 226.320 0.775 20 30 BCEDRO C=C(CC)C[N@H+](C)[C@@H]1CCN(S(C)(=O)=O)C1 ZINC000428817480 201042492 /nfs/dbraw/zinc/04/24/92/201042492.db2.gz NUBOTYSAVLUBEC-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCN(CCC#N)C[C@H](O)C[N@@H+](C)C1CC1 ZINC000428864112 201045885 /nfs/dbraw/zinc/04/58/85/201045885.db2.gz BKXOTIHVKICTAZ-CYBMUJFWSA-N 1 0 237.347 0.843 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000428943515 201053492 /nfs/dbraw/zinc/05/34/92/201053492.db2.gz PNEPPIAOYNNHBP-WDEREUQCSA-N 1 0 226.320 0.693 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@H+]1CC=CCC1 ZINC000614258366 363772371 /nfs/dbraw/zinc/77/23/71/363772371.db2.gz ALQLRPLDLAHEGW-GFCCVEGCSA-N 1 0 224.304 0.302 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000429281389 201088164 /nfs/dbraw/zinc/08/81/64/201088164.db2.gz BPXSCZVQRIMUMX-MNOVXSKESA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429323969 201101897 /nfs/dbraw/zinc/10/18/97/201101897.db2.gz YPSHFLYGUJOCSS-NSHDSACASA-N 1 0 246.310 0.751 20 30 BCEDRO CCN(CCC#N)CC[N@@H+]1CCCOCC1 ZINC000429677911 201123808 /nfs/dbraw/zinc/12/38/08/201123808.db2.gz DSHCRZFFENEECS-UHFFFAOYSA-N 1 0 225.336 0.944 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000430248496 201156755 /nfs/dbraw/zinc/15/67/55/201156755.db2.gz JSPOAHKBLNGBIJ-AAEUAGOBSA-N 1 0 240.347 0.772 20 30 BCEDRO CN(C[C@H](O)C[N@H+](C)C1CC1)CC(C)(C)C#N ZINC000433318042 201181256 /nfs/dbraw/zinc/18/12/56/201181256.db2.gz MVEDPDFPSIFPNQ-LBPRGKRZSA-N 1 0 239.363 0.923 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H]2CCCC(=O)N2)o1 ZINC000433199406 201168468 /nfs/dbraw/zinc/16/84/68/201168468.db2.gz LDRMAHZFQWHYRC-VIFPVBQESA-N 1 0 233.271 0.910 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000613228151 361563443 /nfs/dbraw/zinc/56/34/43/361563443.db2.gz YACKZKPFHVGYRL-UTLUCORTSA-N 1 0 212.293 0.084 20 30 BCEDRO C=CCNC(=O)CN(C1CC1)[C@H]1CC[NH2+]C1 ZINC000435249446 201259200 /nfs/dbraw/zinc/25/92/00/201259200.db2.gz UDZCVZUERWCPAS-NSHDSACASA-N 1 0 223.320 0.115 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000435419971 201269550 /nfs/dbraw/zinc/26/95/50/201269550.db2.gz AAZIBDACGLUIJZ-NSHDSACASA-N 1 0 246.376 0.776 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000435429498 201271182 /nfs/dbraw/zinc/27/11/82/201271182.db2.gz XEDXUIQXFKQUJN-SNVBAGLBSA-N 1 0 244.360 0.719 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CCC[C@H]1C[NH+](C)C ZINC000435434316 201271521 /nfs/dbraw/zinc/27/15/21/201271521.db2.gz RSPDMUKIMUGZPS-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627245758 363849353 /nfs/dbraw/zinc/84/93/53/363849353.db2.gz KEJCAONXMPJFTE-VHSXEESVSA-N 1 0 209.293 0.402 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000614722929 363939778 /nfs/dbraw/zinc/93/97/78/363939778.db2.gz ADPDCFXFIWEJMM-TUAOUCFPSA-N 1 0 238.331 0.619 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000417895363 219933736 /nfs/dbraw/zinc/93/37/36/219933736.db2.gz UVSVAQQNKLVGGK-LLVKDONJSA-N 1 0 243.351 0.876 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC2(C1)CC[NH+](C)CC2 ZINC000614959306 364231036 /nfs/dbraw/zinc/23/10/36/364231036.db2.gz PYXOZRGDIZWXIN-NSHDSACASA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCCn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000630590389 364302358 /nfs/dbraw/zinc/30/23/58/364302358.db2.gz DYUQIPFDXYIUQR-UHFFFAOYSA-N 1 0 232.291 0.558 20 30 BCEDRO C=CCCn1cc(C[C@H]([NH3+])COC)nn1 ZINC000630590662 364303646 /nfs/dbraw/zinc/30/36/46/364303646.db2.gz LAGKLKIYVRDKFB-VIFPVBQESA-N 1 0 210.281 0.370 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](COC)C1CC1 ZINC000134403088 364402555 /nfs/dbraw/zinc/40/25/55/364402555.db2.gz KUGZAGWLDHDSLB-JTQLQIEISA-N 1 0 212.293 0.303 20 30 BCEDRO COC[C@@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000181686338 366837307 /nfs/dbraw/zinc/83/73/07/366837307.db2.gz RONNXIWGQAJICY-GFCCVEGCSA-N 1 0 247.298 0.603 20 30 BCEDRO N#CC1(C(=O)N2CCC[NH2+]CC2)CCCC1 ZINC000579488346 366829516 /nfs/dbraw/zinc/82/95/16/366829516.db2.gz VYRRCSNISFRQEU-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C[C@@H]1C[C@H](O)C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000357014393 366854062 /nfs/dbraw/zinc/85/40/62/366854062.db2.gz XXZUWXSXAXXBIJ-MNOVXSKESA-N 1 0 239.319 0.204 20 30 BCEDRO C[C@@H]1C[C@@H](O)C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000357013757 366854249 /nfs/dbraw/zinc/85/42/49/366854249.db2.gz XXZUWXSXAXXBIJ-GHMZBOCLSA-N 1 0 239.319 0.204 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H](C)C[NH+](C)C ZINC000615178858 364600555 /nfs/dbraw/zinc/60/05/55/364600555.db2.gz ZCTSWOJDHSQOQA-KOLCDFICSA-N 1 0 214.309 0.237 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615203249 364626354 /nfs/dbraw/zinc/62/63/54/364626354.db2.gz KUOGJWYUWDLACD-CMPLNLGQSA-N 1 0 224.304 0.088 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615308154 364684482 /nfs/dbraw/zinc/68/44/82/364684482.db2.gz LJAWXSXXALUXEW-WDEREUQCSA-N 1 0 226.320 0.740 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3ncncc3C#N)C[C@H]2C1 ZINC000565947577 364712663 /nfs/dbraw/zinc/71/26/63/364712663.db2.gz WHEOJZXJGFDXFZ-PHIMTYICSA-N 1 0 229.287 0.346 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@]2(C1)CCC[N@@H+](C)C2 ZINC000615356825 364721263 /nfs/dbraw/zinc/72/12/63/364721263.db2.gz VLFITGYSLZGTOS-DGCLKSJQSA-N 1 0 238.331 0.478 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@H](CO)[C@H](O)C2)c1 ZINC000573521910 364853803 /nfs/dbraw/zinc/85/38/03/364853803.db2.gz SVCDYWBPDLAJMA-ZIAGYGMSSA-N 1 0 246.310 0.733 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)c1 ZINC000573521906 364853901 /nfs/dbraw/zinc/85/39/01/364853901.db2.gz SVCDYWBPDLAJMA-KBPBESRZSA-N 1 0 246.310 0.733 20 30 BCEDRO CC[NH+](CC)CC[C@@H](CO)NCCC#N ZINC000573370341 364813531 /nfs/dbraw/zinc/81/35/31/364813531.db2.gz AQDXMBFUBGLHDP-NSHDSACASA-N 1 0 213.325 0.582 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000573455993 364838736 /nfs/dbraw/zinc/83/87/36/364838736.db2.gz TYNWVJOSEQJXDW-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=C1CCN(C(=O)[C@@H]([NH2+]C)c2cnn(C)c2)CC1 ZINC000573692938 364895086 /nfs/dbraw/zinc/89/50/86/364895086.db2.gz KSFPQUGVJVHYAJ-LBPRGKRZSA-N 1 0 248.330 0.859 20 30 BCEDRO CN(C(=O)C1(C#N)CCCC1)[C@@H]1CC[NH2+]C1 ZINC000573975989 364958572 /nfs/dbraw/zinc/95/85/72/364958572.db2.gz LPJOTDMKJGMEGC-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C[NH+]1CCC(NC(=O)c2ccc(C#N)cn2)CC1 ZINC000104215088 541442606 /nfs/dbraw/zinc/44/26/06/541442606.db2.gz ALFKYXJIYBLCDX-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COC ZINC000574193495 365008370 /nfs/dbraw/zinc/00/83/70/365008370.db2.gz XDHMQYLSIYAUOO-SRVKXCTJSA-N 1 0 229.320 0.565 20 30 BCEDRO CCC[N@H+](C)CC(=O)NCC1(C#N)CC1 ZINC000574355214 365044068 /nfs/dbraw/zinc/04/40/68/365044068.db2.gz DOYNRJZXDAHZJL-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]2CC[NH2+][C@@H]2C)nn1 ZINC000574755006 365134741 /nfs/dbraw/zinc/13/47/41/365134741.db2.gz SCUPGIGBVPYDRN-MWLCHTKSSA-N 1 0 249.318 0.078 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3ccnc(C#N)n3)[C@@H]2C1 ZINC000575372870 365302572 /nfs/dbraw/zinc/30/25/72/365302572.db2.gz ZSBRKLIYSKWVNF-WDEREUQCSA-N 1 0 243.314 0.879 20 30 BCEDRO C=CCOCC(=O)N[C@H](C[NH3+])CCCC ZINC000336722255 365362395 /nfs/dbraw/zinc/36/23/95/365362395.db2.gz AQTVODJSJAJXQM-JTQLQIEISA-N 1 0 214.309 0.823 20 30 BCEDRO COCC#CC[NH2+][C@@H](C)c1cnn(C)c1 ZINC000379948785 541459899 /nfs/dbraw/zinc/45/98/99/541459899.db2.gz SCBQDBSTWGVASJ-JTQLQIEISA-N 1 0 207.277 0.721 20 30 BCEDRO COC[C@@H](O)C[NH2+]CCc1cccc(C#N)c1 ZINC000575982290 365433699 /nfs/dbraw/zinc/43/36/99/365433699.db2.gz PPHIVULITQLFMN-ZDUSSCGKSA-N 1 0 234.299 0.698 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCC[C@@H]1C(=O)NC ZINC000339123141 365450585 /nfs/dbraw/zinc/45/05/85/365450585.db2.gz FHNMBFVQXAOFFC-WDEREUQCSA-N 1 0 226.320 0.693 20 30 BCEDRO CC(C)COC[C@@H](O)C[NH2+][C@H](C)CC#N ZINC000068610842 370817012 /nfs/dbraw/zinc/81/70/12/370817012.db2.gz AUPFGBDRYMINBT-MNOVXSKESA-N 1 0 214.309 0.912 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000182645002 366925693 /nfs/dbraw/zinc/92/56/93/366925693.db2.gz VVAXPJAJVNPYJZ-VHSXEESVSA-N 1 0 238.335 0.928 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000182652263 366927031 /nfs/dbraw/zinc/92/70/31/366927031.db2.gz KIKLVYGNGFNZFG-QWRGUYRKSA-N 1 0 238.335 0.787 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000184423898 367077517 /nfs/dbraw/zinc/07/75/17/367077517.db2.gz NCEBGNRJFSPDOR-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@@]1(F)CC[NH2+]C1 ZINC000368562224 367111413 /nfs/dbraw/zinc/11/14/13/367111413.db2.gz OHOLMRLQOLQQQL-PSASIEDQSA-N 1 0 200.257 0.769 20 30 BCEDRO CCCCCCC[N@@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000367567508 367085963 /nfs/dbraw/zinc/08/59/63/367085963.db2.gz WMZSCVYQXJESAA-LBPRGKRZSA-N 1 0 228.336 0.879 20 30 BCEDRO Cc1cc(C#N)nc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000116823059 370838653 /nfs/dbraw/zinc/83/86/53/370838653.db2.gz SKOOEHPLDBKDJT-AOOOYVTPSA-N 1 0 229.287 0.312 20 30 BCEDRO CC[N@@H+]1CCC[C@H](CNc2ncncc2C#N)C1 ZINC000580830862 367179651 /nfs/dbraw/zinc/17/96/51/367179651.db2.gz SBQZDAOKMLTWIU-LLVKDONJSA-N 1 0 245.330 0.914 20 30 BCEDRO C[C@@H](CC#N)[NH2+]CCC(=O)N1CCN(C)CC1 ZINC000068609977 370820585 /nfs/dbraw/zinc/82/05/85/370820585.db2.gz HJLANRLAWANCIW-NSHDSACASA-N 1 0 238.335 0.042 20 30 BCEDRO C=CC1CCN(C(=O)c2cn(CC[NH3+])nn2)CC1 ZINC000580785400 367166587 /nfs/dbraw/zinc/16/65/87/367166587.db2.gz BZLDHTYPYVNLTI-UHFFFAOYSA-N 1 0 249.318 0.275 20 30 BCEDRO CC[N@H+](CCCC(=O)NC)C[C@@H](C)C#N ZINC000068818383 370851308 /nfs/dbraw/zinc/85/13/08/370851308.db2.gz LAKXSGDTHUTPAA-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C[N@H+](Cc1ccc(C#N)cn1)C1CC(O)C1 ZINC000580900541 367201713 /nfs/dbraw/zinc/20/17/13/367201713.db2.gz MQUUVTIAGPSUGP-UHFFFAOYSA-N 1 0 217.272 0.908 20 30 BCEDRO C=CCN1CC[C@@H](N(C)[C@H](C)C[NH3+])C1=O ZINC000581251800 367309227 /nfs/dbraw/zinc/30/92/27/367309227.db2.gz QKKNDMSHQPENLA-NXEZZACHSA-N 1 0 211.309 0.052 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000381621810 367440634 /nfs/dbraw/zinc/44/06/34/367440634.db2.gz AIFCPIJTSWVQBK-ZJUUUORDSA-N 1 0 212.293 0.527 20 30 BCEDRO CS(=O)(=O)NC[C@H]1CCC[C@H]1[NH2+]CCC#N ZINC000566129236 326000303 /nfs/dbraw/zinc/00/03/03/326000303.db2.gz AZERMRSNZFUENO-NXEZZACHSA-N 1 0 245.348 0.208 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@H](CC[NH3+])C1 ZINC000440809020 201522788 /nfs/dbraw/zinc/52/27/88/201522788.db2.gz ZLOZRIYOYHXOIP-LLVKDONJSA-N 1 0 246.376 0.953 20 30 BCEDRO C[C@@H](O)C[N@H+](Cc1ccnc(C#N)c1)[C@@H](C)CO ZINC000615465987 367984996 /nfs/dbraw/zinc/98/49/96/367984996.db2.gz NALVIJJQKSPDSW-WDEREUQCSA-N 1 0 249.314 0.517 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000386688363 368009641 /nfs/dbraw/zinc/00/96/41/368009641.db2.gz JWLILPKTDCOLEI-GFCCVEGCSA-N 1 0 212.337 0.997 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](O)COCCOC ZINC000386703178 368010854 /nfs/dbraw/zinc/01/08/54/368010854.db2.gz NKRSETVVDPLYQR-LLVKDONJSA-N 1 0 217.309 0.566 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC(C[NH+](C)C)C1 ZINC000615512326 368084586 /nfs/dbraw/zinc/08/45/86/368084586.db2.gz FUOQJZKWLWIKIA-LLVKDONJSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CCOCC(=O)N1CC(C[NH+](C)C)C1 ZINC000615510871 368084968 /nfs/dbraw/zinc/08/49/68/368084968.db2.gz YSDWDDMNFJDXKR-UHFFFAOYSA-N 1 0 212.293 0.209 20 30 BCEDRO N#C[C@]1(F)CCN(C(=O)Cn2ccnc2)C1 ZINC000615824817 368460131 /nfs/dbraw/zinc/46/01/31/368460131.db2.gz LHFFVXCETOVHHR-SNVBAGLBSA-N 1 0 222.223 0.347 20 30 BCEDRO NC(=[NH2+])NCc1ccccc1Cn1ccnc1 ZINC000057887612 368502742 /nfs/dbraw/zinc/50/27/42/368502742.db2.gz PBPYVKRMGVCBTI-UHFFFAOYSA-N 1 0 229.287 0.705 20 30 BCEDRO C=CC[N@@H+]1CCCC[C@H]1C(=O)N1CCOCC1 ZINC000066892567 368666434 /nfs/dbraw/zinc/66/64/34/368666434.db2.gz YPLZPHAFNZEOGT-LBPRGKRZSA-N 1 0 238.331 0.886 20 30 BCEDRO C#CC[N@@H+](CC(=O)NCC#N)C1CCCCC1 ZINC000066496897 368651005 /nfs/dbraw/zinc/65/10/05/368651005.db2.gz OVELFYRMTBEGEV-UHFFFAOYSA-N 1 0 233.315 0.894 20 30 BCEDRO N#CCNC(=O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000066494389 368651672 /nfs/dbraw/zinc/65/16/72/368651672.db2.gz KHVBGOWGZJNMDE-SNVBAGLBSA-N 1 0 237.303 0.127 20 30 BCEDRO CCN1C[C@@H](NC[C@@H](C#N)CCC#N)CC1=O ZINC000567161167 326126261 /nfs/dbraw/zinc/12/62/61/326126261.db2.gz OITNYKUVKKTSJX-MNOVXSKESA-N 1 0 234.303 0.640 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000081750813 370916763 /nfs/dbraw/zinc/91/67/63/370916763.db2.gz LPJDFOQQDCBPOL-NSHDSACASA-N 1 0 246.314 0.721 20 30 BCEDRO Cc1cc(C(=O)NCCC[NH+](C)C)ncc1C#N ZINC000457362976 203044364 /nfs/dbraw/zinc/04/43/64/203044364.db2.gz ALLSZHZDSMAJJH-UHFFFAOYSA-N 1 0 246.314 0.943 20 30 BCEDRO C[NH+]=C(NCc1ccnn1C)NC(C)C ZINC000072611688 368776097 /nfs/dbraw/zinc/77/60/97/368776097.db2.gz GXISAEOVKWGKFD-UHFFFAOYSA-N 1 0 209.297 0.494 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[NH+]([C@H](C)CC)CC1 ZINC000615984459 368854770 /nfs/dbraw/zinc/85/47/70/368854770.db2.gz LBDRHHIKEZLHGT-YPMHNXCESA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C(C)C)C1 ZINC000616154989 368987052 /nfs/dbraw/zinc/98/70/52/368987052.db2.gz IAQHERRCJOLDGV-GHMZBOCLSA-N 1 0 226.320 0.474 20 30 BCEDRO CC[C@@H](C(=O)N1CCO[C@H](C#N)C1)[NH+](C)C ZINC000164431524 203082284 /nfs/dbraw/zinc/08/22/84/203082284.db2.gz AGDXUHKKOGDTQS-ZJUUUORDSA-N 1 0 225.292 0.078 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)CC1CCOCC1 ZINC000156191753 326221908 /nfs/dbraw/zinc/22/19/08/326221908.db2.gz XHLWTCKOHFFWLW-UHFFFAOYSA-N 1 0 226.320 0.647 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)COC(C)C ZINC000567581644 326222216 /nfs/dbraw/zinc/22/22/16/326222216.db2.gz JVIBCCJWXOGGTB-AVGNSLFASA-N 1 0 243.347 0.953 20 30 BCEDRO COC(=O)CCNC(=[NH2+])N1CCC(C)CC1 ZINC000303368319 369418897 /nfs/dbraw/zinc/41/88/97/369418897.db2.gz ITPZEVMYFWUVET-UHFFFAOYSA-N 1 0 227.308 0.596 20 30 BCEDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C#N)C1 ZINC000259978186 370961374 /nfs/dbraw/zinc/96/13/74/370961374.db2.gz HQKOSJVFWHOTFR-SNVBAGLBSA-N 1 0 207.277 0.453 20 30 BCEDRO CN(CCC#N)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000259934409 370955958 /nfs/dbraw/zinc/95/59/58/370955958.db2.gz KMJFVFCBBYBOLO-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO N#CCCN[C@@H](CO)C[NH+]1CCCCC1 ZINC000567873527 326274333 /nfs/dbraw/zinc/27/43/33/326274333.db2.gz XWGXIJRNSQCYKB-LLVKDONJSA-N 1 0 211.309 0.336 20 30 BCEDRO C[C@@H]1CN(c2ncncc2C#N)C[C@H](C)[NH2+]1 ZINC000304471033 369519068 /nfs/dbraw/zinc/51/90/68/369519068.db2.gz IEIQECLJODAAPH-DTORHVGOSA-N 1 0 217.276 0.535 20 30 BCEDRO C[C@H]1C[C@@H](Nc2ncncc2C#N)CC[NH2+]1 ZINC000304487915 369520303 /nfs/dbraw/zinc/52/03/03/369520303.db2.gz PJWRTGPLLCSETG-WPRPVWTQSA-N 1 0 217.276 0.901 20 30 BCEDRO CN(CCC#N)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000260158162 370979185 /nfs/dbraw/zinc/97/91/85/370979185.db2.gz SYWWAIDQQUMFLE-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO C=C[C@@H](C(=O)OC)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000619718734 369548850 /nfs/dbraw/zinc/54/88/50/369548850.db2.gz YVBSKONXDAITPV-RYUDHWBXSA-N 1 0 240.347 0.988 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)C[C@H]1CCC[N@H+](C)C1 ZINC000619718733 369549043 /nfs/dbraw/zinc/54/90/43/369549043.db2.gz YVBSKONXDAITPV-NWDGAFQWSA-N 1 0 240.347 0.988 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@@H](OCCOC)C1 ZINC000619722126 369552217 /nfs/dbraw/zinc/55/22/17/369552217.db2.gz JXVJGLQCERXWSJ-MNOVXSKESA-N 1 0 243.303 0.451 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@@](O)(CC)C1 ZINC000619721835 369552784 /nfs/dbraw/zinc/55/27/84/369552784.db2.gz IZJBPJWNPNAMGO-KOLCDFICSA-N 1 0 213.277 0.561 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@H](OCCOC)C1 ZINC000619722128 369552963 /nfs/dbraw/zinc/55/29/63/369552963.db2.gz JXVJGLQCERXWSJ-WDEREUQCSA-N 1 0 243.303 0.451 20 30 BCEDRO CC[C@@H]1[NH2+]CC[C@H]1Nc1cc(C#N)ncn1 ZINC000600951447 369576213 /nfs/dbraw/zinc/57/62/13/369576213.db2.gz IUABLJHGODPLRW-VHSXEESVSA-N 1 0 217.276 0.901 20 30 BCEDRO N#Cc1ccc(CN2CCC(O)(C[NH3+])CC2)o1 ZINC000600769293 369563945 /nfs/dbraw/zinc/56/39/45/369563945.db2.gz LNNNNWMERYXIQK-UHFFFAOYSA-N 1 0 235.287 0.437 20 30 BCEDRO N#Cc1cncnc1N1CCC[C@@H]2C[NH2+]CC[C@@H]21 ZINC000600885319 369572063 /nfs/dbraw/zinc/57/20/63/369572063.db2.gz QESOTADUGDHQMA-PWSUYJOCSA-N 1 0 243.314 0.927 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000620207534 369767706 /nfs/dbraw/zinc/76/77/06/369767706.db2.gz ZDEUXVQNAPMQIH-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO N#Cc1nccc(N[C@@H]2CC[NH2+]C23CCC3)n1 ZINC000601985326 369732013 /nfs/dbraw/zinc/73/20/13/369732013.db2.gz TZEKLGQOSLUZJN-SECBINFHSA-N 1 0 229.287 0.467 20 30 BCEDRO N#Cc1nccc(N2CCC[C@H]3C[NH2+]CC[C@@H]32)n1 ZINC000601984579 369732303 /nfs/dbraw/zinc/73/23/03/369732303.db2.gz SLCTXNWWLPDYPV-QWRGUYRKSA-N 1 0 243.314 0.927 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCn2cccn2)n1 ZINC000602519273 369802449 /nfs/dbraw/zinc/80/24/49/369802449.db2.gz WVEWIOJLEZMAKY-UHFFFAOYSA-N 1 0 227.271 0.940 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)Cc1ccc(C#N)nc1 ZINC000602536265 369807806 /nfs/dbraw/zinc/80/78/06/369807806.db2.gz SMXSGUFMXVBVSV-VIFPVBQESA-N 1 0 232.287 0.220 20 30 BCEDRO C[C@@H](CCO)[NH2+]Cc1cccc(C#N)n1 ZINC000602559707 369812567 /nfs/dbraw/zinc/81/25/67/369812567.db2.gz ZVSWCMVMSGYXHN-VIFPVBQESA-N 1 0 205.261 0.814 20 30 BCEDRO COC[C@](C)(O)C[NH2+]Cc1cccc(C#N)n1 ZINC000602568075 369812711 /nfs/dbraw/zinc/81/27/11/369812711.db2.gz VYFFXNWOKYPQKF-GFCCVEGCSA-N 1 0 235.287 0.440 20 30 BCEDRO C[C@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CS1 ZINC000602654356 369834172 /nfs/dbraw/zinc/83/41/72/369834172.db2.gz LUKDLNYKSRIVNT-DTWKUNHWSA-N 1 0 237.332 0.633 20 30 BCEDRO C[N@H+](CCOCCO)Cc1cccc(C#N)n1 ZINC000602658099 369835585 /nfs/dbraw/zinc/83/55/85/369835585.db2.gz JESSPUYQOXLTCG-UHFFFAOYSA-N 1 0 235.287 0.394 20 30 BCEDRO C[C@@]1(O)CC[N@H+](Cc2cccc(C#N)n2)C1 ZINC000602486856 369794425 /nfs/dbraw/zinc/79/44/25/369794425.db2.gz WHTTXSZQROXJFN-GFCCVEGCSA-N 1 0 217.272 0.910 20 30 BCEDRO N#Cc1cccc(C[NH2+]C/C=C\CO)n1 ZINC000602709159 369844418 /nfs/dbraw/zinc/84/44/18/369844418.db2.gz GQPLUZDAARTFQL-UPHRSURJSA-N 1 0 203.245 0.591 20 30 BCEDRO CN(Cc1cccc(C#N)n1)CC1C[NH+](C)C1 ZINC000602707815 369844497 /nfs/dbraw/zinc/84/44/97/369844497.db2.gz JKACVNUAAXNFAF-UHFFFAOYSA-N 1 0 230.315 0.947 20 30 BCEDRO C[C@]1(CO)C[C@H](O)C[N@@H+]1Cc1ccccc1C#N ZINC000602898058 369861239 /nfs/dbraw/zinc/86/12/39/369861239.db2.gz KUKFJSXCHQIXCG-UONOGXRCSA-N 1 0 246.310 0.876 20 30 BCEDRO C[NH+](C)CCNC(=O)Nc1ccnc(C#N)c1 ZINC000603134712 369895435 /nfs/dbraw/zinc/89/54/35/369895435.db2.gz PCEWDWHIZSAQGQ-UHFFFAOYSA-N 1 0 233.275 0.636 20 30 BCEDRO N#Cc1cc(Cn2cc(CC[NH3+])nn2)ccc1F ZINC000603199015 369896863 /nfs/dbraw/zinc/89/68/63/369896863.db2.gz ILVNTDCNQFGHPA-UHFFFAOYSA-N 1 0 245.261 0.838 20 30 BCEDRO N#Cc1cccc(Cn2cc(CC[NH3+])nn2)c1F ZINC000603233779 369901156 /nfs/dbraw/zinc/90/11/56/369901156.db2.gz ARCMPLXXRXRYJP-UHFFFAOYSA-N 1 0 245.261 0.838 20 30 BCEDRO C[C@@]1(O)C[C@H]([NH2+]Cc2cccc(C#N)n2)C1 ZINC000602693025 369842477 /nfs/dbraw/zinc/84/24/77/369842477.db2.gz ADTJFSJUZLXKIJ-TXEJJXNPSA-N 1 0 217.272 0.956 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](Nc2ncncc2C#N)C1(C)C ZINC000603399943 369949014 /nfs/dbraw/zinc/94/90/14/369949014.db2.gz FRKCSDUAVGYWKO-MNOVXSKESA-N 1 0 245.330 0.911 20 30 BCEDRO COCC[NH+]1CCC(NC[C@H](C)C#N)CC1 ZINC000309890094 370272214 /nfs/dbraw/zinc/27/22/14/370272214.db2.gz CBNLMCPCLCJZAC-LLVKDONJSA-N 1 0 225.336 0.846 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621689198 370437630 /nfs/dbraw/zinc/43/76/30/370437630.db2.gz DVQYQKWEACBJBS-JQWIXIFHSA-N 1 0 224.304 0.529 20 30 BCEDRO C=CCNC(=O)CN1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621778920 370526846 /nfs/dbraw/zinc/52/68/46/370526846.db2.gz XGNACUQEZHHUMI-JQWIXIFHSA-N 1 0 223.320 0.102 20 30 BCEDRO C=C(CC)C[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC000313482331 370590024 /nfs/dbraw/zinc/59/00/24/370590024.db2.gz MRMRDNKKXRJXQB-NWDGAFQWSA-N 1 0 231.336 0.955 20 30 BCEDRO C[N@@H+]1CCO[C@@H]2CN(c3ccc(C#N)nc3)C[C@H]21 ZINC000329905727 371211863 /nfs/dbraw/zinc/21/18/63/371211863.db2.gz JRSMKXYDZZNNAJ-CHWSQXEVSA-N 1 0 244.298 0.472 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H]1CCC[C@H]1C(=O)OC ZINC000390646846 371223764 /nfs/dbraw/zinc/22/37/64/371223764.db2.gz OEZSAYLVVSBNEW-VWYCJHECSA-N 1 0 227.304 0.855 20 30 BCEDRO C[C@@H]1OCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000125326558 371320145 /nfs/dbraw/zinc/32/01/45/371320145.db2.gz KGELOGAFOJCJRP-CMPLNLGQSA-N 1 0 223.320 0.741 20 30 BCEDRO Cc1c(C#N)cccc1NC(=O)NCC[NH3+] ZINC000335250483 371535184 /nfs/dbraw/zinc/53/51/84/371535184.db2.gz QKGZNBJIWMFOPA-UHFFFAOYSA-N 1 0 218.260 0.947 20 30 BCEDRO Cc1cc(C#N)cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000161768924 371561883 /nfs/dbraw/zinc/56/18/83/371561883.db2.gz VKGJXBRLXLOUPI-RYUDHWBXSA-N 1 0 228.299 0.917 20 30 BCEDRO C=CC(C)(C)CCNC(=O)C(=O)NCCC[NH3+] ZINC000627399474 371601583 /nfs/dbraw/zinc/60/15/83/371601583.db2.gz SAOUHBIZJYUAGO-UHFFFAOYSA-N 1 0 241.335 0.170 20 30 BCEDRO C=CC(C)(C)CCNC(=O)C(=O)NC[C@H](C)[NH3+] ZINC000627403488 371603395 /nfs/dbraw/zinc/60/33/95/371603395.db2.gz IRNMQUQZGAGSFY-VIFPVBQESA-N 1 0 241.335 0.168 20 30 BCEDRO N#Cc1ncccc1OC[C@@H]1CC[NH2+]C1 ZINC000131815939 371684793 /nfs/dbraw/zinc/68/47/93/371684793.db2.gz YKPGTSHRPZEGNA-SECBINFHSA-N 1 0 203.245 0.942 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000627654961 371813402 /nfs/dbraw/zinc/81/34/02/371813402.db2.gz USDJTKIDSIGPBP-YGNMPJRFSA-N 1 0 238.331 0.332 20 30 BCEDRO CO[C@H](C[NH3+])CC(=O)Nc1cccc(C#N)c1 ZINC000232111277 372106519 /nfs/dbraw/zinc/10/65/19/372106519.db2.gz JJPSPRLKYCIMKL-NSHDSACASA-N 1 0 233.271 0.861 20 30 BCEDRO C#C[C@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000229532130 372160821 /nfs/dbraw/zinc/16/08/21/372160821.db2.gz MSQNQQXUQLCOHJ-DTWKUNHWSA-N 1 0 201.291 0.175 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1=O ZINC000631852182 372651297 /nfs/dbraw/zinc/65/12/97/372651297.db2.gz FXDXKDBTRVKXPH-TUAOUCFPSA-N 1 0 235.331 0.210 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000631856721 372656754 /nfs/dbraw/zinc/65/67/54/372656754.db2.gz SNJSOQRBGVDFHU-BETUJISGSA-N 1 0 249.358 0.623 20 30 BCEDRO C=CCCNS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631950400 372703040 /nfs/dbraw/zinc/70/30/40/372703040.db2.gz HNZNMCJAAJEKFW-UHFFFAOYSA-N 1 0 247.364 0.081 20 30 BCEDRO C=CCN1CC[C@@H](N[C@]23CCC[C@@H]2C[NH2+]C3)C1=O ZINC000631867646 372669380 /nfs/dbraw/zinc/66/93/80/372669380.db2.gz YHVILVZYNFEURB-BZPMIXESSA-N 1 0 249.358 0.505 20 30 BCEDRO C=CC[C@H](C)NS(=O)(=O)CCC[NH+](C)C ZINC000631981731 372713281 /nfs/dbraw/zinc/71/32/81/372713281.db2.gz DHAXGDWUIMMKJG-JTQLQIEISA-N 1 0 234.365 0.822 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)C[C@@H](C)CC ZINC000171950035 372837967 /nfs/dbraw/zinc/83/79/67/372837967.db2.gz NJMACHLQOWTZPC-JTQLQIEISA-N 1 0 241.335 0.976 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@@H]2CCC[C@@H](C#N)C2)n1 ZINC000287505125 205780027 /nfs/dbraw/zinc/78/00/27/205780027.db2.gz NXXANFWEHTWQNT-GHMZBOCLSA-N 1 0 244.302 0.822 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000634269491 374082996 /nfs/dbraw/zinc/08/29/96/374082996.db2.gz HSLCPWCRMGEAQB-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C=C(C)COCCNC(=O)N(C)[C@@H](C)C[NH3+] ZINC000417884290 205935106 /nfs/dbraw/zinc/93/51/06/205935106.db2.gz IGDKYMLTKZMNED-JTQLQIEISA-N 1 0 229.324 0.568 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1cc(C)ncc1C#N ZINC000425228043 206021094 /nfs/dbraw/zinc/02/10/94/206021094.db2.gz OXESMNBOQHBSLW-LBPRGKRZSA-N 1 0 234.303 0.459 20 30 BCEDRO COC[C@@H](C)N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424092333 206028699 /nfs/dbraw/zinc/02/86/99/206028699.db2.gz OQACTBQFXOZDJW-NXEZZACHSA-N 1 0 227.308 0.501 20 30 BCEDRO CCn1cc(NC(=O)[C@@H]([NH3+])CCCC#N)cn1 ZINC000424087537 206029777 /nfs/dbraw/zinc/02/97/77/206029777.db2.gz ICWDZBOGBWKMGF-JTQLQIEISA-N 1 0 235.291 0.863 20 30 BCEDRO CC(C)[C@@H](O)CCNC(=O)[C@H]([NH3+])CCCC#N ZINC000424131317 206032797 /nfs/dbraw/zinc/03/27/97/206032797.db2.gz UTTUJBYVGPKGGB-MNOVXSKESA-N 1 0 241.335 0.531 20 30 BCEDRO Cc1cc(C[N@@H+]2C[C@@H](O)[C@H](CO)C2)ccc1C#N ZINC000459698280 206137598 /nfs/dbraw/zinc/13/75/98/206137598.db2.gz ITSICUUYCWNHLS-UONOGXRCSA-N 1 0 246.310 0.652 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000179057287 134314713 /nfs/dbraw/zinc/31/47/13/134314713.db2.gz VPRAPFIFCQRRHW-YIZRAAEISA-N 1 0 209.293 0.478 20 30 BCEDRO CN/C(=[NH+]/C)N1CC[C@@H](C(=O)OC(C)(C)C)C1 ZINC000179111682 134317652 /nfs/dbraw/zinc/31/76/52/134317652.db2.gz PTORQZUPPLWQPB-SECBINFHSA-N 1 0 241.335 0.855 20 30 BCEDRO C=C(C)C[N@@H+](C)Cc1cc(=O)n(C)c(=O)n1C ZINC000181251022 134334333 /nfs/dbraw/zinc/33/43/33/134334333.db2.gz CSTHVKAYDLGORI-UHFFFAOYSA-N 1 0 237.303 0.092 20 30 BCEDRO CC#CCC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000185132032 134374520 /nfs/dbraw/zinc/37/45/20/134374520.db2.gz ODRKRYAKUKAICP-LBPRGKRZSA-N 1 0 209.289 0.891 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@@H](C)O ZINC000152562625 383855953 /nfs/dbraw/zinc/85/59/53/383855953.db2.gz KSNKKKICXAILLJ-GRYCIOLGSA-N 1 0 238.331 0.360 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)NCC2(C#N)CC2)CC1 ZINC000559343559 383833285 /nfs/dbraw/zinc/83/32/85/383833285.db2.gz CGQNGBWLIUUYNH-UHFFFAOYSA-N 1 0 236.319 0.637 20 30 BCEDRO CC[C@@H](C(=O)N[C@@H](C#N)C(C)C)[NH+](C)C ZINC000332446501 383981719 /nfs/dbraw/zinc/98/17/19/383981719.db2.gz FORXVWZOUPYESR-UWVGGRQHSA-N 1 0 211.309 0.991 20 30 BCEDRO C=C(C)COCC[NH2+][C@@H](C)C[C@@H]1COCCN1 ZINC000163591085 383995738 /nfs/dbraw/zinc/99/57/38/383995738.db2.gz LYLZDPZWENFBMK-QWHCGFSZSA-N 1 0 242.363 0.936 20 30 BCEDRO C[C@H]1CCCC[N@@H+]1CCC(=O)NCC#N ZINC000407999314 384022277 /nfs/dbraw/zinc/02/22/77/384022277.db2.gz VIGNUKJNPLQOLZ-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc[nH]1 ZINC000293894595 384024031 /nfs/dbraw/zinc/02/40/31/384024031.db2.gz DQXDZKCULXTAEB-UHFFFAOYSA-N 1 0 219.288 0.700 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)CC1CCCC1 ZINC000517372114 384035027 /nfs/dbraw/zinc/03/50/27/384035027.db2.gz VCNHRPXCFVRDPN-GFCCVEGCSA-N 1 0 211.305 0.513 20 30 BCEDRO CO[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000569449667 384054220 /nfs/dbraw/zinc/05/42/20/384054220.db2.gz OOIOJAFMMYOMAQ-IJLUTSLNSA-N 1 0 243.351 0.206 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](S(=O)(=O)NC2CC2)C1 ZINC000363461645 384064121 /nfs/dbraw/zinc/06/41/21/384064121.db2.gz VTFQMHXZJAWOIA-NSHDSACASA-N 1 0 242.344 0.166 20 30 BCEDRO C#CCC[N@H+]1C[C@H](C)[C@H](N2CCOCC2)C1 ZINC000363466033 384070159 /nfs/dbraw/zinc/07/01/59/384070159.db2.gz AQWBIORXWQOHQG-QWHCGFSZSA-N 1 0 222.332 0.662 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H](C[N@@H+](C)CC)C1 ZINC000646882419 384071700 /nfs/dbraw/zinc/07/17/00/384071700.db2.gz QSYTYHTXNJWPLW-MNOVXSKESA-N 1 0 226.320 0.334 20 30 BCEDRO CC[C@]1(C)COCCN1CC(=O)NCC#N ZINC000408016123 384109005 /nfs/dbraw/zinc/10/90/05/384109005.db2.gz FYNSJBMSYRDSBF-LLVKDONJSA-N 1 0 225.292 0.127 20 30 BCEDRO C=CCNC(=O)C[N@H+](CC)CCOC ZINC000299138108 384118690 /nfs/dbraw/zinc/11/86/90/384118690.db2.gz QZTVYEVAVOVOFM-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO CNS(=O)(=O)C[C@H]1CCC[N@@H+]1CCCC#N ZINC000330363712 384150218 /nfs/dbraw/zinc/15/02/18/384150218.db2.gz PUWXUZJSKUYOAR-SNVBAGLBSA-N 1 0 245.348 0.304 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)C1(C#N)CCC1 ZINC000080393215 384165932 /nfs/dbraw/zinc/16/59/32/384165932.db2.gz KTRTXGFVNXSREV-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO Cc1n[nH]c(CC[NH2+][C@@H]2CC[C@H](C#N)C2)n1 ZINC000309838684 384186070 /nfs/dbraw/zinc/18/60/70/384186070.db2.gz CAKRVZVSXCBAQF-VHSXEESVSA-N 1 0 219.292 0.938 20 30 BCEDRO C#CCC[NH+]1CCC(CNC(C)=O)CC1 ZINC000230318580 533045500 /nfs/dbraw/zinc/04/55/00/533045500.db2.gz PIRZTLSNRVYGRI-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)O ZINC000081747396 384198525 /nfs/dbraw/zinc/19/85/25/384198525.db2.gz XBIWFYYBVGWLPB-VIFPVBQESA-N 1 0 214.309 0.380 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@@H](C[NH2+]C)C1 ZINC000221297286 384199931 /nfs/dbraw/zinc/19/99/31/384199931.db2.gz KAXLSADFIMMHJY-MNOVXSKESA-N 1 0 225.336 0.218 20 30 BCEDRO C#CCCN1CCC[C@H]1C[N@H+]1CCC[C@H]1CO ZINC000364849642 533049105 /nfs/dbraw/zinc/04/91/05/533049105.db2.gz NAHQHBRPJRPSGN-KBPBESRZSA-N 1 0 236.359 0.931 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)[C@@H]1C ZINC000336779545 384276932 /nfs/dbraw/zinc/27/69/32/384276932.db2.gz OQDKRJVVCZSDJP-BBBLOLIVSA-N 1 0 219.292 0.784 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]2[NH2+]CC2(C)C)nn1 ZINC000644165937 384256318 /nfs/dbraw/zinc/25/63/18/384256318.db2.gz FLACHUHNHOXERS-JTQLQIEISA-N 1 0 249.318 0.078 20 30 BCEDRO C[NH+]1CCC(Nc2nccnc2C#N)CC1 ZINC000054377246 384277895 /nfs/dbraw/zinc/27/78/95/384277895.db2.gz SIZBOFRTRYYKCA-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO C[C@@H]1COCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000035775906 384318073 /nfs/dbraw/zinc/31/80/73/384318073.db2.gz IWCXXQOELPKUEC-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO CC1(C)CC[N@H+](CC(=O)N(CC#N)CC#N)C1 ZINC000569590211 384289616 /nfs/dbraw/zinc/28/96/16/384289616.db2.gz TWFHPYDEQGTZAE-UHFFFAOYSA-N 1 0 234.303 0.594 20 30 BCEDRO C#CCCN1CC[NH+]([C@H]2CCC[C@H]2O)CC1 ZINC000363457444 533055290 /nfs/dbraw/zinc/05/52/90/533055290.db2.gz LSOJRJUNJNMQEC-QWHCGFSZSA-N 1 0 222.332 0.541 20 30 BCEDRO C#CC[C@H](C)NC(=O)C1CC[NH+](CC#C)CC1 ZINC000490702174 384338449 /nfs/dbraw/zinc/33/84/49/384338449.db2.gz ZGOVOKVQOVOFPA-LBPRGKRZSA-N 1 0 232.327 0.860 20 30 BCEDRO COC[C@H](CO)[NH2+][C@@H]1CCC[C@@H](C#N)C1 ZINC000330363812 384366527 /nfs/dbraw/zinc/36/65/27/384366527.db2.gz UFUOQQYIKVYFHQ-MXWKQRLJSA-N 1 0 212.293 0.666 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000334952363 384392532 /nfs/dbraw/zinc/39/25/32/384392532.db2.gz NBLXPZGJWZGNSC-MNOVXSKESA-N 1 0 223.320 0.921 20 30 BCEDRO CC#CC[N@H+](C)C[C@H](O)COC[C@@H]1CCCO1 ZINC000550499823 384391466 /nfs/dbraw/zinc/39/14/66/384391466.db2.gz ACBVLIGTLUFKSZ-STQMWFEESA-N 1 0 241.331 0.498 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000648179839 384447542 /nfs/dbraw/zinc/44/75/42/384447542.db2.gz BLDUWYCMKXAEDP-MMWGEVLESA-N 1 0 224.304 0.431 20 30 BCEDRO CC#CC[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000159661988 384456107 /nfs/dbraw/zinc/45/61/07/384456107.db2.gz IGQQAHLWKIZGNQ-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369285621 533063431 /nfs/dbraw/zinc/06/34/31/533063431.db2.gz QFCGBOBQOCQCQE-RYUDHWBXSA-N 1 0 235.331 0.936 20 30 BCEDRO CCOCC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000559272782 384466365 /nfs/dbraw/zinc/46/63/65/384466365.db2.gz BTWNNDMCLVVMER-UHFFFAOYSA-N 1 0 245.286 0.727 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000249740753 384524353 /nfs/dbraw/zinc/52/43/53/384524353.db2.gz ITIRJZZCIAEXLG-OUAUKWLOSA-N 1 0 208.305 0.997 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309571446 384529699 /nfs/dbraw/zinc/52/96/99/384529699.db2.gz NSMMGWLTDIVQRA-OUAUKWLOSA-N 1 0 219.292 0.948 20 30 BCEDRO [NH2+]=C(NC1CC1)N[C@@H]1C[C@H]2OCCC[C@@H]12 ZINC000249953355 384530688 /nfs/dbraw/zinc/53/06/88/384530688.db2.gz VKFBEDXBBUXXLV-IVZWLZJFSA-N 1 0 209.293 0.621 20 30 BCEDRO C=CCNC(=O)C[C@@H]1CSCC[NH2+]1 ZINC000085612758 384546955 /nfs/dbraw/zinc/54/69/55/384546955.db2.gz BHNSSDPSFLMHPZ-MRVPVSSYSA-N 1 0 200.307 0.384 20 30 BCEDRO C=CCOc1cccnc1C(=O)N1CC[NH2+]CC1 ZINC000236679232 384556708 /nfs/dbraw/zinc/55/67/08/384556708.db2.gz RSTNZZCSKBVPBM-UHFFFAOYSA-N 1 0 247.298 0.692 20 30 BCEDRO N#Cc1cncc(N[C@H]2CC[N@@H+](C3CC3)C2)n1 ZINC000401232387 384537428 /nfs/dbraw/zinc/53/74/28/384537428.db2.gz OJUDSXNFMIGBRZ-VIFPVBQESA-N 1 0 229.287 0.997 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]2[C@H](CCC[N@H+]2C)C1 ZINC000151183074 384538349 /nfs/dbraw/zinc/53/83/49/384538349.db2.gz MYLRDEWIJRHEJP-NEPJUHHUSA-N 1 0 235.331 0.745 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H]1CN(C2CC2)C[C@@H]1C ZINC000309734907 384573406 /nfs/dbraw/zinc/57/34/06/384573406.db2.gz CDDXWAWPXVLPRO-LOWVWBTDSA-N 1 0 224.348 0.996 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000491760650 384582852 /nfs/dbraw/zinc/58/28/52/384582852.db2.gz RYXOCPNAMOAAJM-QWHCGFSZSA-N 1 0 237.274 0.313 20 30 BCEDRO C[NH+](C)CCCNc1cnc(C#N)cn1 ZINC000070581162 384586257 /nfs/dbraw/zinc/58/62/57/384586257.db2.gz CTAPOVXQXRVXAV-UHFFFAOYSA-N 1 0 205.265 0.712 20 30 BCEDRO C=CCOCC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000354281893 384589291 /nfs/dbraw/zinc/58/92/91/384589291.db2.gz MFZBLRPOEJQAIU-UHFFFAOYSA-N 1 0 238.331 0.932 20 30 BCEDRO Cc1nc(NC(=O)[C@H]2CN(C)CCO2)n[nH]1 ZINC000081348124 384613407 /nfs/dbraw/zinc/61/34/07/384613407.db2.gz YHJKCMQWAWEZBD-SSDOTTSWSA-N 1 0 225.252 0.032 20 30 BCEDRO C[NH+](C)[C@H]1CN(c2ccc(C#N)cn2)C[C@@H]1O ZINC000365809831 384614989 /nfs/dbraw/zinc/61/49/89/384614989.db2.gz MKMAUCUQGMGCLH-QWRGUYRKSA-N 1 0 232.287 0.064 20 30 BCEDRO CC(C)([NH3+])CNS(=O)(=O)c1ccc(C#N)o1 ZINC000565245802 384626972 /nfs/dbraw/zinc/62/69/72/384626972.db2.gz MESOCLPLCJALBK-UHFFFAOYSA-N 1 0 243.288 0.167 20 30 BCEDRO CC[C@H]1CN(CC(=O)NCC#N)C[C@H](C)O1 ZINC000111273770 384601620 /nfs/dbraw/zinc/60/16/20/384601620.db2.gz FDIVRTMWBUBMKC-UWVGGRQHSA-N 1 0 225.292 0.125 20 30 BCEDRO C#CCCCC[NH2+]CCC(=O)NCC#C ZINC000491384075 384644629 /nfs/dbraw/zinc/64/46/29/384644629.db2.gz NIUJTQUABXUSMC-UHFFFAOYSA-N 1 0 206.289 0.519 20 30 BCEDRO COCC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC000357787175 384646409 /nfs/dbraw/zinc/64/64/09/384646409.db2.gz GKEAFSLRNSSXAU-QWRGUYRKSA-N 1 0 239.319 0.373 20 30 BCEDRO N#CCCC[N@H+]1CCSC[C@H]1CO ZINC000308394830 384660138 /nfs/dbraw/zinc/66/01/38/384660138.db2.gz CTLISABVBUBFEC-SECBINFHSA-N 1 0 200.307 0.700 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC(C)(C)OC[C@@H]1C ZINC000491789638 384723705 /nfs/dbraw/zinc/72/37/05/384723705.db2.gz ZYIRIHVYNRANLG-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H]2CCCO2)CC[C@@H]1NCC#N ZINC000363712113 384725920 /nfs/dbraw/zinc/72/59/20/384725920.db2.gz IZRTZJHGDGZARU-UPJWGTAASA-N 1 0 237.347 0.989 20 30 BCEDRO C=CCOCCCC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000449601239 384677737 /nfs/dbraw/zinc/67/77/37/384677737.db2.gz MGVCTVQTSHQZHA-VHSXEESVSA-N 1 0 214.309 0.821 20 30 BCEDRO CN1CCC[C@H]([NH2+][C@H]2CC[C@@H](C#N)C2)C1=O ZINC000309664589 384705685 /nfs/dbraw/zinc/70/56/85/384705685.db2.gz STQBQWDDKWEKSZ-VWYCJHECSA-N 1 0 221.304 0.889 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@@H]1C#N ZINC000078997633 384713993 /nfs/dbraw/zinc/71/39/93/384713993.db2.gz WCALLXFHEKAFQF-JTQLQIEISA-N 1 0 225.292 0.078 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCC(NC(C)=O)CC1 ZINC000309696401 384740543 /nfs/dbraw/zinc/74/05/43/384740543.db2.gz RLLDZRSJGQUYTO-VOMCLLRMSA-N 1 0 226.320 0.570 20 30 BCEDRO C=CCNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000105063548 384746589 /nfs/dbraw/zinc/74/65/89/384746589.db2.gz ZXBMPYRXLQUPDF-JTQLQIEISA-N 1 0 211.309 0.908 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC000185756446 384767074 /nfs/dbraw/zinc/76/70/74/384767074.db2.gz KNNRYJAUVSDODN-WDEREUQCSA-N 1 0 212.293 0.667 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000644302811 384817142 /nfs/dbraw/zinc/81/71/42/384817142.db2.gz SSHQHUOHVXYXAL-GHMZBOCLSA-N 1 0 244.360 0.528 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@@H]2CCCC[NH2+]2)nn1 ZINC000647577889 384837814 /nfs/dbraw/zinc/83/78/14/384837814.db2.gz WDLAVVAJLZKVDQ-JTQLQIEISA-N 1 0 249.318 0.336 20 30 BCEDRO C=CCCOCC(=O)NCCC[NH2+]C1CC1 ZINC000648202862 384832076 /nfs/dbraw/zinc/83/20/76/384832076.db2.gz GTPRKWZLJBTMBO-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO CC#CCC[NH+]1CCC(NC(N)=O)CC1 ZINC000155975245 384784597 /nfs/dbraw/zinc/78/45/97/384784597.db2.gz RVYBABGNFAOXFR-UHFFFAOYSA-N 1 0 209.293 0.533 20 30 BCEDRO CCCC(N)=NOCC(=O)NCC(F)(F)F ZINC000105605206 384877358 /nfs/dbraw/zinc/87/73/58/384877358.db2.gz GKPHRAFUNTZGOV-UHFFFAOYSA-N 1 0 241.213 0.754 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000320278336 384885149 /nfs/dbraw/zinc/88/51/49/384885149.db2.gz NSLQBTVZNJGTDZ-ZJUUUORDSA-N 1 0 212.293 0.182 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCCNC(=O)C1 ZINC000320278334 384886524 /nfs/dbraw/zinc/88/65/24/384886524.db2.gz NSLQBTVZNJGTDZ-UWVGGRQHSA-N 1 0 212.293 0.182 20 30 BCEDRO C#CCNC(=O)CCN1CC[C@H]([NH+]2CCCC2)C1 ZINC000491119910 384887199 /nfs/dbraw/zinc/88/71/99/384887199.db2.gz KQRAAUNPMXSTHY-ZDUSSCGKSA-N 1 0 249.358 0.296 20 30 BCEDRO C=CCn1cc(C(=O)NCC2CC[NH2+]CC2)nn1 ZINC000647577185 384839571 /nfs/dbraw/zinc/83/95/71/384839571.db2.gz XPMQYNFYGIVKPL-UHFFFAOYSA-N 1 0 249.318 0.194 20 30 BCEDRO CCN(CC(=O)n1ncc(C#N)c1N)C1CC1 ZINC000119696553 384853047 /nfs/dbraw/zinc/85/30/47/384853047.db2.gz BRFJBRCKZFZUDP-UHFFFAOYSA-N 1 0 233.275 0.461 20 30 BCEDRO C#C[C@@H](NC(=O)NCC1([NH3+])CCC1)C(C)C ZINC000491820528 384854133 /nfs/dbraw/zinc/85/41/33/384854133.db2.gz RVZLVFQOZZCBEJ-SNVBAGLBSA-N 1 0 223.320 0.825 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)CC[NH3+] ZINC000308658792 384902995 /nfs/dbraw/zinc/90/29/95/384902995.db2.gz PDRZMOKAYJAFNN-MRVPVSSYSA-N 1 0 206.311 0.219 20 30 BCEDRO C#CCN(C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000291239060 533094959 /nfs/dbraw/zinc/09/49/59/533094959.db2.gz LFISXSNKIDCCHJ-SNVBAGLBSA-N 1 0 211.309 0.601 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H]1CCCNC(=O)C1 ZINC000320329264 384940792 /nfs/dbraw/zinc/94/07/92/384940792.db2.gz YRNUQSLPIDHNLK-WDEREUQCSA-N 1 0 226.320 0.572 20 30 BCEDRO CS(=O)(=O)CC[NH2+]Cc1ccc(C#N)s1 ZINC000135498277 384980230 /nfs/dbraw/zinc/98/02/30/384980230.db2.gz FUOVQPWZZQWHLU-UHFFFAOYSA-N 1 0 244.341 0.754 20 30 BCEDRO C#C[C@H](CC)NS(=O)(=O)CC[NH+](CC)CC ZINC000491483930 384991220 /nfs/dbraw/zinc/99/12/20/384991220.db2.gz FSXMESROCCKYGZ-LLVKDONJSA-N 1 0 246.376 0.659 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CSC ZINC000294068139 533098620 /nfs/dbraw/zinc/09/86/20/533098620.db2.gz VNWCFFHNBQOJML-UHFFFAOYSA-N 1 0 214.334 0.421 20 30 BCEDRO COCC[N@@H+]1CC[C@H](Nc2cc(C#N)ncn2)C1 ZINC000559513302 385029732 /nfs/dbraw/zinc/02/97/32/385029732.db2.gz APHZNAQZNBQKOI-JTQLQIEISA-N 1 0 247.302 0.481 20 30 BCEDRO C[C@H](CC#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000557595619 385032787 /nfs/dbraw/zinc/03/27/87/385032787.db2.gz IBWHBRZCRVEJJT-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@@H](C[NH+](C)C)Nc1cnc(C#N)cn1 ZINC000130430318 385040016 /nfs/dbraw/zinc/04/00/16/385040016.db2.gz XBWNKVUVSMAYAW-QMMMGPOBSA-N 1 0 205.265 0.710 20 30 BCEDRO C#CCCCCNC(=[NH2+])N[C@H](C)COC ZINC000129139898 385114420 /nfs/dbraw/zinc/11/44/20/385114420.db2.gz GZWMQHXOFQWCLU-SNVBAGLBSA-N 1 0 211.309 0.729 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NCCCC#N ZINC000296693774 533103570 /nfs/dbraw/zinc/10/35/70/533103570.db2.gz QMSOPBLMPGLJLF-UHFFFAOYSA-N 1 0 236.319 0.544 20 30 BCEDRO C=C[C@H](O)C(=O)NCC1(C[NH+](C)C)CCCC1 ZINC000646957602 385087446 /nfs/dbraw/zinc/08/74/46/385087446.db2.gz AYYRNGHEMAVQDL-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCCC[C@@H]1C(=O)NC ZINC000246045261 385099707 /nfs/dbraw/zinc/09/97/07/385099707.db2.gz SPCDPWFAQJZIJJ-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO Cn1cc(CNCCC[NH+](C)C)cc1C#N ZINC000189576357 385190285 /nfs/dbraw/zinc/19/02/85/385190285.db2.gz LKFGZUXGIRXIKD-UHFFFAOYSA-N 1 0 220.320 0.938 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@@](C)(CC)C(N)=O ZINC000305049547 385191560 /nfs/dbraw/zinc/19/15/60/385191560.db2.gz BYIDUZBJPKBIPR-ONGXEEELSA-N 1 0 214.309 0.557 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]([NH3+])[C@@H](CC)C1 ZINC000647012244 385145642 /nfs/dbraw/zinc/14/56/42/385145642.db2.gz QSNMJRLAWIPOPV-WDEREUQCSA-N 1 0 226.320 0.775 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cncc(O)c1 ZINC000293919310 533106725 /nfs/dbraw/zinc/10/67/25/533106725.db2.gz GQSLRWOYSNUZMU-UHFFFAOYSA-N 1 0 247.298 0.472 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCOC[C@@H]1C[C@@H](C)O ZINC000157362007 385152215 /nfs/dbraw/zinc/15/22/15/385152215.db2.gz SAKRWOMKZLNADX-FRRDWIJNSA-N 1 0 243.347 0.785 20 30 BCEDRO C#CCN1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000491615351 385159055 /nfs/dbraw/zinc/15/90/55/385159055.db2.gz CJVFPIBGBSZEDT-LBPRGKRZSA-N 1 0 222.332 0.805 20 30 BCEDRO CC[N@H+](CCOCCO)Cc1ccc(C#N)o1 ZINC000282705677 385164476 /nfs/dbraw/zinc/16/44/76/385164476.db2.gz KEQJMYBDCZTWCL-UHFFFAOYSA-N 1 0 238.287 0.982 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cccc(=O)[nH]1 ZINC000294050531 533107504 /nfs/dbraw/zinc/10/75/04/533107504.db2.gz UCMWXVZBSSDCSL-UHFFFAOYSA-N 1 0 247.298 0.472 20 30 BCEDRO C=CCCOCC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000647071365 385217613 /nfs/dbraw/zinc/21/76/13/385217613.db2.gz VBMSKZNZJYSJDG-QMMMGPOBSA-N 1 0 236.262 0.678 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000308873232 385238098 /nfs/dbraw/zinc/23/80/98/385238098.db2.gz LTXOCIUTEIMGCU-JTQLQIEISA-N 1 0 205.261 0.533 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000647082260 385241039 /nfs/dbraw/zinc/24/10/39/385241039.db2.gz ZGKUHTSPQLBHPP-NSHDSACASA-N 1 0 242.319 0.074 20 30 BCEDRO CCC1CC[NH+](CC(=O)NCC#N)CC1 ZINC000108855042 385245243 /nfs/dbraw/zinc/24/52/43/385245243.db2.gz FZUXMJZJPTUZHA-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO CNC(=O)C[C@H](C)[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000308947555 385310069 /nfs/dbraw/zinc/31/00/69/385310069.db2.gz OFERGFJKFQKZOZ-AEJSXWLSSA-N 1 0 209.293 0.793 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1[nH]ncc1C ZINC000308907490 385284418 /nfs/dbraw/zinc/28/44/18/385284418.db2.gz CXZPATHLLMZGIX-JTQLQIEISA-N 1 0 209.293 0.992 20 30 BCEDRO C=C[C@@H](CO)NC1CC[NH+](C(C)C)CC1 ZINC000308975230 385330377 /nfs/dbraw/zinc/33/03/77/385330377.db2.gz GLUVYCAWLZJJET-NSHDSACASA-N 1 0 212.337 0.996 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3cccc(C#N)n3)C[C@@H]21 ZINC000407995703 385337114 /nfs/dbraw/zinc/33/71/14/385337114.db2.gz IULCJMRLAGUISP-RYUDHWBXSA-N 1 0 244.298 0.472 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C=Cc1c[nH]cn1 ZINC000492813681 385438633 /nfs/dbraw/zinc/43/86/33/385438633.db2.gz QGNJGYVIPIRCOH-YEZKRMTDSA-N 1 0 235.287 0.724 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000448744481 385448347 /nfs/dbraw/zinc/44/83/47/385448347.db2.gz BQWPNZCFIIVDPC-IRUJWGPZSA-N 1 0 235.331 0.993 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1c(C)noc1C ZINC000170911460 385456154 /nfs/dbraw/zinc/45/61/54/385456154.db2.gz YZIXKUMWFBLRQO-SSDOTTSWSA-N 1 0 240.307 0.731 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ccc(C#N)cc1 ZINC000170912068 385456719 /nfs/dbraw/zinc/45/67/19/385456719.db2.gz HBMYNNXWOVPFMK-UHFFFAOYSA-N 1 0 202.261 0.935 20 30 BCEDRO C#C[C@H]1COCCN1CC[C@H]1CCCO1 ZINC000491371131 385431381 /nfs/dbraw/zinc/43/13/81/385431381.db2.gz CSGVUDDKRZEXSS-NWDGAFQWSA-N 1 0 209.289 0.890 20 30 BCEDRO CNS(=O)(=O)[C@H]1CC[N@H+](CCCCC#N)C1 ZINC000156088456 385436676 /nfs/dbraw/zinc/43/66/76/385436676.db2.gz LHHPNLBDGSEXJD-JTQLQIEISA-N 1 0 245.348 0.304 20 30 BCEDRO C=CCCCNC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000448376544 385471369 /nfs/dbraw/zinc/47/13/69/385471369.db2.gz PVLVGXJOLPWRRS-LBPRGKRZSA-N 1 0 241.335 0.318 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000644100148 385474259 /nfs/dbraw/zinc/47/42/59/385474259.db2.gz NDSIJEORLSLUQL-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO CN(C)C(=[NH2+])NCCOc1ncccc1Cl ZINC000156953401 385476017 /nfs/dbraw/zinc/47/60/17/385476017.db2.gz SXVHPUGTJKSYMX-UHFFFAOYSA-N 1 0 242.710 0.990 20 30 BCEDRO C[NH+]=C(NCc1cnn(C)c1)NCc1ccco1 ZINC000171411261 385482609 /nfs/dbraw/zinc/48/26/09/385482609.db2.gz SLFHHWWGHWJDHF-UHFFFAOYSA-N 1 0 247.302 0.878 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](C)NS(=O)(=O)[C@@H](C)C#N ZINC000309195206 385459357 /nfs/dbraw/zinc/45/93/57/385459357.db2.gz DFPUNHBULZRZQD-ZJUUUORDSA-N 1 0 247.364 0.547 20 30 BCEDRO C#C[C@@H](C)N(C)CC(=O)NC(=O)NCCC ZINC000491372301 385459795 /nfs/dbraw/zinc/45/97/95/385459795.db2.gz ISVRKISDTVGDFV-SECBINFHSA-N 1 0 225.292 0.176 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491674946 385460677 /nfs/dbraw/zinc/46/06/77/385460677.db2.gz STSJQYNQWMGPBW-VXGBXAGGSA-N 1 0 237.347 0.198 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N2CC[C@@](F)(C#N)C2)CC[N@@H+]1C ZINC000592790861 385577511 /nfs/dbraw/zinc/57/75/11/385577511.db2.gz BANALRZNWANABQ-CKYFFXLPSA-N 1 0 239.294 0.791 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@H]1CC2(CCC2)C(=O)O1 ZINC000491698668 385561903 /nfs/dbraw/zinc/56/19/03/385561903.db2.gz BPCXZSLVYHOZSG-VXGBXAGGSA-N 1 0 249.310 0.806 20 30 BCEDRO CC(C)(CC#N)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000591770233 385562801 /nfs/dbraw/zinc/56/28/01/385562801.db2.gz NQSSUPURYSPWCS-NSHDSACASA-N 1 0 236.319 0.773 20 30 BCEDRO C=C[C@H](CO)NCc1cc(C(=O)OC)co1 ZINC000309423623 385577826 /nfs/dbraw/zinc/57/78/26/385577826.db2.gz DWSKZCURIQEOQF-SECBINFHSA-N 1 0 225.244 0.703 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@](O)(CC#N)C1 ZINC000592145885 385567723 /nfs/dbraw/zinc/56/77/23/385567723.db2.gz AMEUYRXYYWKNNU-ZYHUDNBSSA-N 1 0 237.303 0.028 20 30 BCEDRO CC(C)(C)OC(=O)CN1CC[C@@](O)(CC#N)C1 ZINC000592146617 385568296 /nfs/dbraw/zinc/56/82/96/385568296.db2.gz DHCSAKHSGDEZNZ-LBPRGKRZSA-N 1 0 240.303 0.679 20 30 BCEDRO C=CCn1cc(C(=O)N2CCCC[C@@H]2C[NH3+])nn1 ZINC000647709765 385597286 /nfs/dbraw/zinc/59/72/86/385597286.db2.gz IRQMRXZLSLRJDB-SNVBAGLBSA-N 1 0 249.318 0.418 20 30 BCEDRO C#C[C@@H](C)N(C)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000491708171 385597438 /nfs/dbraw/zinc/59/74/38/385597438.db2.gz HBVMHYFNTMAJNF-UTUOFQBUSA-N 1 0 238.331 0.576 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)Nc1c[nH]ccc1=O ZINC000594440258 385601795 /nfs/dbraw/zinc/60/17/95/385601795.db2.gz BCRMUONWMFAURR-VIFPVBQESA-N 1 0 248.286 0.725 20 30 BCEDRO C[NH+](C)CCNC(=O)NCC1(C#N)CCCC1 ZINC000593429817 385584223 /nfs/dbraw/zinc/58/42/23/385584223.db2.gz KNYVHYANSCKCFI-UHFFFAOYSA-N 1 0 238.335 0.931 20 30 BCEDRO COC[C@@](C)(CC(=O)OC)[NH2+]CCCC#N ZINC000309456151 385587876 /nfs/dbraw/zinc/58/78/76/385587876.db2.gz MMAYKDPSNQZJAO-LLVKDONJSA-N 1 0 228.292 0.848 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)NC1(C#N)CCOCC1 ZINC000408174318 385608594 /nfs/dbraw/zinc/60/85/94/385608594.db2.gz IUEJYXUTFCQBTD-UHFFFAOYSA-N 1 0 239.319 0.516 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)NC1(C#N)CCOCC1 ZINC000408175332 385611706 /nfs/dbraw/zinc/61/17/06/385611706.db2.gz SIFQMZLBTUGSHT-JTQLQIEISA-N 1 0 237.303 0.270 20 30 BCEDRO C[C@@H](CC#N)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336677792 385611951 /nfs/dbraw/zinc/61/19/51/385611951.db2.gz WGXWBUWLXXNDMC-JQWIXIFHSA-N 1 0 225.336 0.675 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCCn2ccnc2)C1 ZINC000263252129 385654573 /nfs/dbraw/zinc/65/45/73/385654573.db2.gz PHJDLCNRGLZVTH-LLVKDONJSA-N 1 0 235.335 0.930 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CO[C@@H](C)COC)C(C)C ZINC000302463650 385655685 /nfs/dbraw/zinc/65/56/85/385655685.db2.gz YSLUBWPPUQJWRR-AVGNSLFASA-N 1 0 243.347 0.646 20 30 BCEDRO CC[C@@H](C)C[NH2+]CCn1cnc(C#N)n1 ZINC000308956723 385657445 /nfs/dbraw/zinc/65/74/45/385657445.db2.gz QTVGGRIADRMSPU-SECBINFHSA-N 1 0 207.281 0.785 20 30 BCEDRO N#CCCS(=O)(=O)N1CC[N@@H+]2CCC[C@@H]2C1 ZINC000408192771 385673226 /nfs/dbraw/zinc/67/32/26/385673226.db2.gz PCRUTEKOFWRRQJ-SNVBAGLBSA-N 1 0 243.332 0.010 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(S(=O)(=O)CCC#N)C1 ZINC000408193733 385678120 /nfs/dbraw/zinc/67/81/20/385678120.db2.gz UQHAOJPTNQLQSO-JTQLQIEISA-N 1 0 245.348 0.256 20 30 BCEDRO Cc1oc(C#N)cc1C(=O)N1CC([NH+](C)C)C1 ZINC000280995158 385683885 /nfs/dbraw/zinc/68/38/85/385683885.db2.gz FHBLJEYWXJAPJJ-UHFFFAOYSA-N 1 0 233.271 0.846 20 30 BCEDRO C[C@@H]1CN(c2nccc(C#N)n2)[C@@H](C)C[N@@H+]1C ZINC000408455805 385689797 /nfs/dbraw/zinc/68/97/97/385689797.db2.gz FIFZYTKOMFKAHY-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CC(=O)NCC(F)F)C1 ZINC000309585520 385718206 /nfs/dbraw/zinc/71/82/06/385718206.db2.gz SCJGALLKTGOQMV-SFYZADRCSA-N 1 0 231.246 0.650 20 30 BCEDRO C#CCNC(NCc1cccc2c1OCO2)=[NH+]C ZINC000262639203 533140820 /nfs/dbraw/zinc/14/08/20/533140820.db2.gz OFMRYRZKODNQLT-UHFFFAOYSA-N 1 0 245.282 0.714 20 30 BCEDRO C#CCNC(N[C@@H]1CCN(C2CC2)C1)=[NH+]CC ZINC000262751863 533142725 /nfs/dbraw/zinc/14/27/25/533142725.db2.gz GTFXTLJRZVFUBW-LLVKDONJSA-N 1 0 234.347 0.411 20 30 BCEDRO C#CCNC(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)=[NH+]C ZINC000261680569 533141582 /nfs/dbraw/zinc/14/15/82/533141582.db2.gz QNQSGDDDYWXDCS-TUAOUCFPSA-N 1 0 247.342 0.742 20 30 BCEDRO C#C[C@H](CC)NC(=O)C=Cc1c[nH]cn1 ZINC000491734387 385730475 /nfs/dbraw/zinc/73/04/75/385730475.db2.gz BMQZKBWHSIRVGH-VUHVRTRXSA-N 1 0 203.245 0.951 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCOCCO)C1 ZINC000185756466 385734743 /nfs/dbraw/zinc/73/47/43/385734743.db2.gz KNNRYJAUVSDODN-GHMZBOCLSA-N 1 0 212.293 0.667 20 30 BCEDRO CC[N@@H+]1CCCC[C@H]1CNC(=O)CC#N ZINC000185873000 385742825 /nfs/dbraw/zinc/74/28/25/385742825.db2.gz OMCKOMFJSLWJBE-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C#CCNC(NCCc1c(C)noc1C)=[NH+]C ZINC000262783351 533143311 /nfs/dbraw/zinc/14/33/11/533143311.db2.gz LUKKXMSGINQWOM-UHFFFAOYSA-N 1 0 234.303 0.632 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(C)(CO)CC1 ZINC000186944239 385818928 /nfs/dbraw/zinc/81/89/28/385818928.db2.gz ONBAMXXVLQWGHY-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CN(C)C(=O)O1 ZINC000496022041 385826443 /nfs/dbraw/zinc/82/64/43/385826443.db2.gz OVQMQUABDZLLDL-MXWKQRLJSA-N 1 0 240.303 0.760 20 30 BCEDRO C[C@@H]1C[N@@H+](CCn2ccnc2)C[C@H](C)N1CC#N ZINC000602854182 385828134 /nfs/dbraw/zinc/82/81/34/385828134.db2.gz NXHIZNLEJUYHKU-BETUJISGSA-N 1 0 247.346 0.801 20 30 BCEDRO C=CCn1cc(C(=O)N2C[C@@H](C)[NH2+][C@H](C)C2)nn1 ZINC000647805169 385843971 /nfs/dbraw/zinc/84/39/71/385843971.db2.gz AFYWUFXGUGBZRP-NXEZZACHSA-N 1 0 249.318 0.287 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc([C@H]([NH3+])CC)nn1 ZINC000603233675 385845338 /nfs/dbraw/zinc/84/53/38/385845338.db2.gz JSXQJZQRORDXMH-APPZFPTMSA-N 1 0 224.264 0.588 20 30 BCEDRO C=CCn1cc(C(=O)N[C@](C)(C[NH3+])C2CC2)nn1 ZINC000647807205 385859082 /nfs/dbraw/zinc/85/90/82/385859082.db2.gz RQQDDDJOVYLVFA-GFCCVEGCSA-N 1 0 249.318 0.321 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NCC2([NH3+])CCC2)C1 ZINC000335038194 385928970 /nfs/dbraw/zinc/92/89/70/385928970.db2.gz PDULMKRUNMANFX-VHSXEESVSA-N 1 0 236.319 0.859 20 30 BCEDRO C[C@H]([NH2+]CC(N)=O)c1ccc(C#N)cc1 ZINC000022215173 385898695 /nfs/dbraw/zinc/89/86/95/385898695.db2.gz RWYVHAZVDOHHEY-QMMMGPOBSA-N 1 0 203.245 0.694 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000368807184 533151977 /nfs/dbraw/zinc/15/19/77/533151977.db2.gz VVZSBSZREWCIMI-SNVBAGLBSA-N 1 0 207.277 0.109 20 30 BCEDRO C=CCn1cc(C(=O)N2CCC[C@H]([NH2+]C)C2)nn1 ZINC000647733735 385869594 /nfs/dbraw/zinc/86/95/94/385869594.db2.gz ATYFNHQVLDMUEY-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@H](C[NH3+])C2)C1=O ZINC000647830502 385872652 /nfs/dbraw/zinc/87/26/52/385872652.db2.gz LZYGGTXMJUOZGG-MNOVXSKESA-N 1 0 223.320 0.054 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@H](C[NH3+])C2)C1=O ZINC000647830503 385873180 /nfs/dbraw/zinc/87/31/80/385873180.db2.gz LZYGGTXMJUOZGG-QWRGUYRKSA-N 1 0 223.320 0.054 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000643253317 385986889 /nfs/dbraw/zinc/98/68/89/385986889.db2.gz JKWIKOQRCHNWBQ-QWRGUYRKSA-N 1 0 229.320 0.395 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@H](C(=O)NC)C1 ZINC000643254627 385990068 /nfs/dbraw/zinc/99/00/68/385990068.db2.gz SYOMAZCTYUNQMD-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000643253727 385990942 /nfs/dbraw/zinc/99/09/42/385990942.db2.gz CVELMTDEHBWTDL-UTUOFQBUSA-N 1 0 213.321 0.874 20 30 BCEDRO COCC#CCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000643256152 385999596 /nfs/dbraw/zinc/99/95/96/385999596.db2.gz NGTFZTHHCPYSGA-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO CC[C@H]1CC[N@@H+]1C[C@@H](O)CN(C)CCC#N ZINC000414121719 386012878 /nfs/dbraw/zinc/01/28/78/386012878.db2.gz HRDOEIIDIAGXSR-RYUDHWBXSA-N 1 0 225.336 0.677 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NCC#N)c1ccccc1 ZINC000020035452 386016273 /nfs/dbraw/zinc/01/62/73/386016273.db2.gz FIPPUTHFJYNOSD-JTQLQIEISA-N 1 0 217.272 0.977 20 30 BCEDRO CC#CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000335139758 386115230 /nfs/dbraw/zinc/11/52/30/386115230.db2.gz PIXQFZJYGBBRCY-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO COCCN(CC#Cc1ccccc1)CCO ZINC000164587207 386060390 /nfs/dbraw/zinc/06/03/90/386060390.db2.gz XWPCWNJWZHVJHH-UHFFFAOYSA-N 1 0 233.311 0.979 20 30 BCEDRO N#CCCCNC(=O)N1CC[NH+]2CCC1CC2 ZINC000335073411 386065557 /nfs/dbraw/zinc/06/55/57/386065557.db2.gz METYYINKKHMHTE-UHFFFAOYSA-N 1 0 236.319 0.780 20 30 BCEDRO COC[C@@H](C[NH2+]Cc1cc(C#N)n(C)c1)OC ZINC000234705632 386091058 /nfs/dbraw/zinc/09/10/58/386091058.db2.gz QSPXRSDUERZXHC-GFCCVEGCSA-N 1 0 237.303 0.648 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000456762560 386092320 /nfs/dbraw/zinc/09/23/20/386092320.db2.gz GAGHUIULDWTDEC-UTUOFQBUSA-N 1 0 240.347 0.627 20 30 BCEDRO N#Cc1csc(C[NH2+]CCOCCO)c1 ZINC000086500147 386160326 /nfs/dbraw/zinc/16/03/26/386160326.db2.gz PXCDPROKKPBEPB-UHFFFAOYSA-N 1 0 226.301 0.718 20 30 BCEDRO CNC(=O)C[NH2+]Cc1cc(C#N)cs1 ZINC000086500137 386162625 /nfs/dbraw/zinc/16/26/25/386162625.db2.gz AMINRMIOQDJAHH-UHFFFAOYSA-N 1 0 209.274 0.455 20 30 BCEDRO C[C@H](CC[NH3+])NS(=O)(=O)c1ccc(C#N)o1 ZINC000571702188 386208638 /nfs/dbraw/zinc/20/86/38/386208638.db2.gz DWIABEHMHFIFEL-SSDOTTSWSA-N 1 0 243.288 0.167 20 30 BCEDRO C=C(C)C[NH+]1CCC(NC(=O)/C=N/OC)CC1 ZINC000289076992 386260031 /nfs/dbraw/zinc/26/00/31/386260031.db2.gz AQBKKBRGAPOERA-MDWZMJQESA-N 1 0 239.319 0.775 20 30 BCEDRO CC[N@@H+]1CCC[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC000347031202 386223509 /nfs/dbraw/zinc/22/35/09/386223509.db2.gz DYDARVURFJWKGE-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424968996 386258679 /nfs/dbraw/zinc/25/86/79/386258679.db2.gz YQWIMASECGRUNP-NNYUYHANSA-N 1 0 235.331 0.993 20 30 BCEDRO N#CCCCC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347287806 386322616 /nfs/dbraw/zinc/32/26/16/386322616.db2.gz JWXRAZVCVXSZQT-PHIMTYICSA-N 1 0 212.293 0.498 20 30 BCEDRO C=C(C)C[N@@H+](C)CC(=O)NC(=O)NCCC ZINC000181252565 386340575 /nfs/dbraw/zinc/34/05/75/386340575.db2.gz CRFUSPIPGPOOLY-UHFFFAOYSA-N 1 0 227.308 0.730 20 30 BCEDRO C#CCNC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000375633462 533169676 /nfs/dbraw/zinc/16/96/76/533169676.db2.gz XSBQPNUEMLVQEE-NEPJUHHUSA-N 1 0 235.331 0.888 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000647888702 386349215 /nfs/dbraw/zinc/34/92/15/386349215.db2.gz MNCOZKHKWKHOPX-MNOVXSKESA-N 1 0 246.376 0.917 20 30 BCEDRO C#CCNC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000120507824 533168825 /nfs/dbraw/zinc/16/88/25/533168825.db2.gz HMTXQAKYLMAECN-UHFFFAOYSA-N 1 0 221.304 0.357 20 30 BCEDRO C=CCOCCC[N@@H+]1[C@@H](CO)CC[C@H]1CO ZINC000347326084 386326310 /nfs/dbraw/zinc/32/63/10/386326310.db2.gz GSUBCQLPBFRALQ-TXEJJXNPSA-N 1 0 229.320 0.397 20 30 BCEDRO C=CCCCS(=O)(=O)NC[C@@H]1CC[N@@H+](C)C1 ZINC000416493416 386328507 /nfs/dbraw/zinc/32/85/07/386328507.db2.gz DVKXERKGXWZAOT-NSHDSACASA-N 1 0 246.376 0.824 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000347547625 386447605 /nfs/dbraw/zinc/44/76/05/386447605.db2.gz XLHMLLACYZLDIX-SNVBAGLBSA-N 1 0 232.349 0.706 20 30 BCEDRO C#CCNC(=O)NC1C[C@H]2CCC[C@@H](C1)[N@H+]2C ZINC000173968873 533171617 /nfs/dbraw/zinc/17/16/17/533171617.db2.gz OICCTFGDEFTLLE-YOGCLGLASA-N 1 0 235.331 0.934 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NC(=O)NCCC#N)C1 ZINC000408367525 386411914 /nfs/dbraw/zinc/41/19/14/386411914.db2.gz WYIUMXNBAXNVDK-JTQLQIEISA-N 1 0 224.308 0.684 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](CCO)[C@H](C)CC)C1=O ZINC000347476539 386435653 /nfs/dbraw/zinc/43/56/53/386435653.db2.gz OMVMBOCUVUBJEY-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO CC#CC[C@@H](CO)Nc1ncnc2c1cnn2C ZINC000645404269 386470402 /nfs/dbraw/zinc/47/04/02/386470402.db2.gz ZWBVPROLOVKLQX-VIFPVBQESA-N 1 0 245.286 0.550 20 30 BCEDRO C=CCSCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417341751 386482897 /nfs/dbraw/zinc/48/28/97/386482897.db2.gz LQDKGDOFDXJBBG-JTQLQIEISA-N 1 0 243.376 0.957 20 30 BCEDRO C=CCSCCNC(=O)NCC[NH2+]CC ZINC000417347725 386487311 /nfs/dbraw/zinc/48/73/11/386487311.db2.gz WQCZBETYWHIWLX-UHFFFAOYSA-N 1 0 231.365 0.814 20 30 BCEDRO C=CCSCCNC(=O)N[C@@H](C)C[NH3+] ZINC000417329275 386499106 /nfs/dbraw/zinc/49/91/06/386499106.db2.gz HUHXFZXMJGCXPE-QMMMGPOBSA-N 1 0 217.338 0.552 20 30 BCEDRO C=CCCOCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417921676 386463671 /nfs/dbraw/zinc/46/36/71/386463671.db2.gz BHUSENGFOOMANN-SNVBAGLBSA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CCC[C@@H]1C[NH3+] ZINC000123390404 386551606 /nfs/dbraw/zinc/55/16/06/386551606.db2.gz KGMLEJBNSMWEQW-GFCCVEGCSA-N 1 0 237.347 0.610 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)CCCC(C)(C)C#N ZINC000336644886 386597389 /nfs/dbraw/zinc/59/73/89/386597389.db2.gz CPHLOYDRGUYZON-LLVKDONJSA-N 1 0 228.336 0.991 20 30 BCEDRO C[C@@H](C[NH2+][C@@H]1CC[C@H](C#N)C1)S(C)(=O)=O ZINC000519817764 386560258 /nfs/dbraw/zinc/56/02/58/386560258.db2.gz IEQGGTMOCYSGCH-LPEHRKFASA-N 1 0 230.333 0.701 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000047950530 386564889 /nfs/dbraw/zinc/56/48/89/386564889.db2.gz DCSHHDKMSZUSLH-UHFFFAOYSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CCN1CC[C@@H](N[C@@](C)(C[NH3+])C2CC2)C1=O ZINC000519827882 386565589 /nfs/dbraw/zinc/56/55/89/386565589.db2.gz VFVOWUCYDPJAOH-YPMHNXCESA-N 1 0 237.347 0.490 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000187650679 386566497 /nfs/dbraw/zinc/56/64/97/386566497.db2.gz DYOKWLHEOUBAIP-QWHCGFSZSA-N 1 0 242.363 0.312 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+](CCC)CCO ZINC000049825295 386655614 /nfs/dbraw/zinc/65/56/14/386655614.db2.gz QMYISMMAEUIWOI-UHFFFAOYSA-N 1 0 240.347 0.891 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](n2ccnn2)C1 ZINC000644947802 386634728 /nfs/dbraw/zinc/63/47/28/386634728.db2.gz NLMHIQXSGKWZTM-NWDGAFQWSA-N 1 0 236.319 0.852 20 30 BCEDRO O=C(NCC[NH+]1CCC1)NC[C@H]1CCCCO1 ZINC000328657994 386604514 /nfs/dbraw/zinc/60/45/14/386604514.db2.gz QEVCWRLCDMFOTE-LLVKDONJSA-N 1 0 241.335 0.765 20 30 BCEDRO C=C(C)CN1CCC([NH2+]C[C@@H](O)COC)CC1 ZINC000520396693 386665584 /nfs/dbraw/zinc/66/55/84/386665584.db2.gz DWEOYBROKRSJSA-CYBMUJFWSA-N 1 0 242.363 0.624 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000124570247 386658259 /nfs/dbraw/zinc/65/82/59/386658259.db2.gz BWNIBOXNSCAFQF-GHMZBOCLSA-N 1 0 246.376 0.999 20 30 BCEDRO CC[N@H+](CCNC(=O)c1cn[nH]n1)C(C)C ZINC000330422812 386710689 /nfs/dbraw/zinc/71/06/89/386710689.db2.gz DVKKGWBATYVWPD-UHFFFAOYSA-N 1 0 225.296 0.840 20 30 BCEDRO N#CCN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000520590158 386699073 /nfs/dbraw/zinc/69/90/73/386699073.db2.gz UNHWAMCHMWVVIM-UHFFFAOYSA-N 1 0 223.320 0.336 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@H+](CCOCC(C)C)C1 ZINC000330411102 386706160 /nfs/dbraw/zinc/70/61/60/386706160.db2.gz RUPVUOGFAGRQKV-NSHDSACASA-N 1 0 243.351 0.867 20 30 BCEDRO CCN(CCO)C(=O)N[C@@H]1CCC[N@H+](CC)C1 ZINC000330484086 386733952 /nfs/dbraw/zinc/73/39/52/386733952.db2.gz WQNHWIJHCKWVTC-LLVKDONJSA-N 1 0 243.351 0.699 20 30 BCEDRO C[C@H](C(=O)NCC#CCO)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000330457706 386718197 /nfs/dbraw/zinc/71/81/97/386718197.db2.gz OXXYPKQQVAGPIG-GRYCIOLGSA-N 1 0 238.331 0.360 20 30 BCEDRO C#CCOc1ccc(C[NH2+]CC(=O)N(C)C)cc1 ZINC000113314109 533190065 /nfs/dbraw/zinc/19/00/65/533190065.db2.gz KAPQOTBRKKFERF-UHFFFAOYSA-N 1 0 246.310 0.876 20 30 BCEDRO C[N@H+](CC1(C#N)CC1)CC1(O)CCOCC1 ZINC000408442005 386753308 /nfs/dbraw/zinc/75/33/08/386753308.db2.gz HKYPAKSTYZZEPA-UHFFFAOYSA-N 1 0 224.304 0.763 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@H]2CN(C)C[C@H]21 ZINC000645150946 386757751 /nfs/dbraw/zinc/75/77/51/386757751.db2.gz VFIANMPJSCXFKT-VXGBXAGGSA-N 1 0 210.321 0.825 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@H]2CN(C)C[C@H]21 ZINC000645150944 386758503 /nfs/dbraw/zinc/75/85/03/386758503.db2.gz VFIANMPJSCXFKT-NWDGAFQWSA-N 1 0 210.321 0.825 20 30 BCEDRO CNC(=O)NC(=O)CC[N@@H+]1CCC[C@@H]1C(N)=O ZINC000330448180 386742381 /nfs/dbraw/zinc/74/23/81/386742381.db2.gz YXZIYTSKQIUDBL-SSDOTTSWSA-N 1 0 242.279 0.036 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000344895216 386796027 /nfs/dbraw/zinc/79/60/27/386796027.db2.gz DEXGMECLINJRKL-VIFPVBQESA-N 1 0 220.338 0.432 20 30 BCEDRO CC[N@H+](C)CCNC(=O)NCc1ccn(C)n1 ZINC000330580950 386796003 /nfs/dbraw/zinc/79/60/03/386796003.db2.gz UAAINERNNSNLJY-UHFFFAOYSA-N 1 0 239.323 0.375 20 30 BCEDRO C[C@H](O)CCNC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000330616244 386820384 /nfs/dbraw/zinc/82/03/84/386820384.db2.gz VNGMOEWGIIIIOK-HBNTYKKESA-N 1 0 243.351 0.744 20 30 BCEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)CC#N ZINC000334773926 386824973 /nfs/dbraw/zinc/82/49/73/386824973.db2.gz WJCFBTICKUQDOC-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO CC[NH+]1CCC(NC(=O)CN(C)CC#N)CC1 ZINC000330581265 386798646 /nfs/dbraw/zinc/79/86/46/386798646.db2.gz QHKNYGZZHXJVKL-UHFFFAOYSA-N 1 0 238.335 0.042 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)C[NH+](C)C ZINC000344909718 386801804 /nfs/dbraw/zinc/80/18/04/386801804.db2.gz MMWPFZSNLQVTMP-SECBINFHSA-N 1 0 220.338 0.432 20 30 BCEDRO C[C@H]1CCN(C(=O)NCCCC#N)C[C@@H]1C[NH3+] ZINC000417995239 386802193 /nfs/dbraw/zinc/80/21/93/386802193.db2.gz CVYFDFIMBNNWRW-QWRGUYRKSA-N 1 0 238.335 0.916 20 30 BCEDRO CC(C)(C#N)CNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000417992742 386803881 /nfs/dbraw/zinc/80/38/81/386803881.db2.gz MYZNMJNOEWOLLV-VIFPVBQESA-N 1 0 224.308 0.587 20 30 BCEDRO CCC[NH2+]CCNC(=O)NCCCC#N ZINC000417999107 386811705 /nfs/dbraw/zinc/81/17/05/386811705.db2.gz HRARSDUVZJKFIS-UHFFFAOYSA-N 1 0 212.297 0.589 20 30 BCEDRO CC#CCN(C)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000341060558 386832416 /nfs/dbraw/zinc/83/24/16/386832416.db2.gz ZLPSRXHUWANDAW-QWRGUYRKSA-N 1 0 208.305 0.666 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=[NH2+])NCCOC ZINC000280666903 386834070 /nfs/dbraw/zinc/83/40/70/386834070.db2.gz YCZAFVJNVSCUTP-GHMZBOCLSA-N 1 0 241.335 0.518 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1cnn2ncccc12 ZINC000330675506 386853550 /nfs/dbraw/zinc/85/35/50/386853550.db2.gz JETQHLUHMQTERT-VIFPVBQESA-N 1 0 247.302 0.984 20 30 BCEDRO CN(C)c1ncc(C[NH2+]CCCC#N)n1C ZINC000425344620 386855416 /nfs/dbraw/zinc/85/54/16/386855416.db2.gz JAQZCZGPEKNSPO-UHFFFAOYSA-N 1 0 221.308 0.879 20 30 BCEDRO CC[N@H+](C)CCNC(=O)N[C@H](C)[C@@H]1CCOC1 ZINC000330705664 386861551 /nfs/dbraw/zinc/86/15/51/386861551.db2.gz KXQLGPYEYPWUIN-GHMZBOCLSA-N 1 0 243.351 0.867 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1CC[C@H](CO)C1 ZINC000051886736 386870421 /nfs/dbraw/zinc/87/04/21/386870421.db2.gz IAMCIHPDGVVRQX-LBPRGKRZSA-N 1 0 238.331 0.501 20 30 BCEDRO C#CCSCCNC(NCC)=[NH+]CC ZINC000125458429 533200640 /nfs/dbraw/zinc/20/06/40/533200640.db2.gz BPAMSUJGZDCTCW-UHFFFAOYSA-N 1 0 213.350 0.928 20 30 BCEDRO CC(C)[NH+]1CCN(C(=O)NC[C@@H](C)C#N)CC1 ZINC000334863015 386917367 /nfs/dbraw/zinc/91/73/67/386917367.db2.gz SRIIKWVUJRCNQS-NSHDSACASA-N 1 0 238.335 0.882 20 30 BCEDRO COCC[N@H+](C)CCNc1cc(C)ncc1C#N ZINC000399523701 386956580 /nfs/dbraw/zinc/95/65/80/386956580.db2.gz RJKAOBHUWSEGMB-UHFFFAOYSA-N 1 0 248.330 0.674 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)NCC1(C#N)CCC1 ZINC000334897567 386970710 /nfs/dbraw/zinc/97/07/10/386970710.db2.gz JGCRSIRDEYDOIY-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCn1cc(C[NH2+]C2CC(OC)C2)nn1 ZINC000425358803 386974873 /nfs/dbraw/zinc/97/48/73/386974873.db2.gz USCFZFOFTHZCDV-UHFFFAOYSA-N 1 0 222.292 0.731 20 30 BCEDRO N#CCc1ccc(C[N@@H+]2C[C@H](O)[C@@H](CO)C2)cc1 ZINC000398980949 387031886 /nfs/dbraw/zinc/03/18/86/387031886.db2.gz FYQAHLWRPVYBNN-KGLIPLIRSA-N 1 0 246.310 0.538 20 30 BCEDRO C=C[C@@H](C)NC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000334953864 387031981 /nfs/dbraw/zinc/03/19/81/387031981.db2.gz VXBLYTPXJVXUDQ-SFYZADRCSA-N 1 0 233.262 0.857 20 30 BCEDRO N#CCc1ccc(C[N@@H+]2C[C@H](O)[C@H](CO)C2)cc1 ZINC000398980948 387032119 /nfs/dbraw/zinc/03/21/19/387032119.db2.gz FYQAHLWRPVYBNN-KBPBESRZSA-N 1 0 246.310 0.538 20 30 BCEDRO C=CCCCCNC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000418032032 387045992 /nfs/dbraw/zinc/04/59/92/387045992.db2.gz LIZZOAUMNMTZME-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO C#CCN(C)CCC[NH2+]C1CCC(O)CC1 ZINC000327958897 387052637 /nfs/dbraw/zinc/05/26/37/387052637.db2.gz CAFGZESSYSGJQV-UHFFFAOYSA-N 1 0 224.348 0.835 20 30 BCEDRO CC#CCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418033734 387055179 /nfs/dbraw/zinc/05/51/79/387055179.db2.gz RXZFYUDCIZPUGE-SNVBAGLBSA-N 1 0 211.309 0.682 20 30 BCEDRO C#CC[NH+]1CCC(Oc2cnccn2)CC1 ZINC000369624334 387058972 /nfs/dbraw/zinc/05/89/72/387058972.db2.gz XLPBKZLNPAHWED-UHFFFAOYSA-N 1 0 217.272 0.953 20 30 BCEDRO C=CCn1cc(C(=O)NCC2([NH3+])CCC2)nn1 ZINC000648108610 387060860 /nfs/dbraw/zinc/06/08/60/387060860.db2.gz DCGZXZCVKBLXAQ-UHFFFAOYSA-N 1 0 235.291 0.075 20 30 BCEDRO CCC[NH2+]CCNC(=O)NCC1(CC#N)CC1 ZINC000418118259 387063808 /nfs/dbraw/zinc/06/38/08/387063808.db2.gz DOHFQTNKJOWRDH-UHFFFAOYSA-N 1 0 238.335 0.979 20 30 BCEDRO CC#CCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000418036907 387063803 /nfs/dbraw/zinc/06/38/03/387063803.db2.gz WXKOVCXRCPTVOR-SNVBAGLBSA-N 1 0 209.293 0.533 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000418023474 387019592 /nfs/dbraw/zinc/01/95/92/387019592.db2.gz BZBIORLJIXTJEK-MNOVXSKESA-N 1 0 223.320 0.697 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000417899104 387019716 /nfs/dbraw/zinc/01/97/16/387019716.db2.gz ZZXOURNILMFJLC-URLYPYJESA-N 1 0 239.319 0.096 20 30 BCEDRO N#Cc1csc(C[NH2+]C[C@@]2(O)CCOC2)c1 ZINC000126183361 387025262 /nfs/dbraw/zinc/02/52/62/387025262.db2.gz IOXGIBNYQYLMOH-NSHDSACASA-N 1 0 238.312 0.861 20 30 BCEDRO C[C@H]1CCC[C@H](C)[NH+]1CC(=O)NCC#N ZINC000066531208 387086334 /nfs/dbraw/zinc/08/63/34/387086334.db2.gz UBUKNDKGQUIDLF-UWVGGRQHSA-N 1 0 209.293 0.889 20 30 BCEDRO C=CCCCNC(=O)NCCN1CC[NH2+]CC1 ZINC000418096028 387091770 /nfs/dbraw/zinc/09/17/70/387091770.db2.gz HRAUGWUQXFEOOD-UHFFFAOYSA-N 1 0 240.351 0.157 20 30 BCEDRO C[C@@H]([NH2+][C@@H]1COC[C@H]1O)c1ccc(C#N)cc1 ZINC000295808027 387095220 /nfs/dbraw/zinc/09/52/20/387095220.db2.gz ATEUFVREVMFDQD-OASPWFOLSA-N 1 0 232.283 0.969 20 30 BCEDRO CC1(C)CN(C(=O)NCCCC#N)CC[NH2+]1 ZINC000334949592 387112042 /nfs/dbraw/zinc/11/20/42/387112042.db2.gz GLRBTYVARHKZHG-UHFFFAOYSA-N 1 0 224.308 0.684 20 30 BCEDRO N#CCCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000334949064 387113064 /nfs/dbraw/zinc/11/30/64/387113064.db2.gz CSUZXVCQYYTKOL-PHIMTYICSA-N 1 0 236.319 0.826 20 30 BCEDRO C[NH+](C)CCn1nccc1NC(=O)CC#N ZINC000359505719 387113730 /nfs/dbraw/zinc/11/37/30/387113730.db2.gz RXHSYWWUCGOEFF-UHFFFAOYSA-N 1 0 221.264 0.297 20 30 BCEDRO C=C(CC)CNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000334950501 387114459 /nfs/dbraw/zinc/11/44/59/387114459.db2.gz YRJKZBBBFOBIRH-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C[C@@H]1CN(C(=O)NCCCC#N)[C@@H](C)C[NH2+]1 ZINC000334951010 387114708 /nfs/dbraw/zinc/11/47/08/387114708.db2.gz PGKNABPCMCTQFQ-ZJUUUORDSA-N 1 0 224.308 0.682 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)c1ccc(C#N)[nH]1 ZINC000269893212 387154310 /nfs/dbraw/zinc/15/43/10/387154310.db2.gz RRRMNEOCRPNSEH-SECBINFHSA-N 1 0 234.303 0.956 20 30 BCEDRO C=CC[C@H](CC)NC(=O)N(CC[NH3+])CCO ZINC000418151325 387179034 /nfs/dbraw/zinc/17/90/34/387179034.db2.gz SMMMLJPSPCXXAS-JTQLQIEISA-N 1 0 229.324 0.304 20 30 BCEDRO C[C@H](CCC#N)[N@H+](C)CCNC(=O)N(C)C ZINC000571885566 387193883 /nfs/dbraw/zinc/19/38/83/387193883.db2.gz RPUAZZHETQDZND-SNVBAGLBSA-N 1 0 226.324 0.882 20 30 BCEDRO N#CCC(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000062942953 387187752 /nfs/dbraw/zinc/18/77/52/387187752.db2.gz GXYDBSCLFZDLBC-SNVBAGLBSA-N 1 0 207.277 0.597 20 30 BCEDRO C=CCCCNC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000418105173 387134741 /nfs/dbraw/zinc/13/47/41/387134741.db2.gz ZHMJCYYUNKQQOI-PHIMTYICSA-N 1 0 223.320 0.813 20 30 BCEDRO C=CCn1nnnc1SC[C@H]1CC[N@@H+](C)C1 ZINC000187681711 387225043 /nfs/dbraw/zinc/22/50/43/387225043.db2.gz JUUOIRAEDGZTHH-VIFPVBQESA-N 1 0 239.348 0.903 20 30 BCEDRO N#Cc1cccc(C[N@@H+]2[C@@H](CO)CC[C@H]2CO)c1 ZINC000347284638 387274472 /nfs/dbraw/zinc/27/44/72/387274472.db2.gz ZFHHDLOQFGPOHI-OKILXGFUSA-N 1 0 246.310 0.876 20 30 BCEDRO N#Cc1ccc(C[NH+]2[C@H](CO)CC[C@H]2CO)cc1 ZINC000347291695 387287150 /nfs/dbraw/zinc/28/71/50/387287150.db2.gz BROXCRHWWMNLMA-KBPBESRZSA-N 1 0 246.310 0.876 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)CSC ZINC000514856673 387297625 /nfs/dbraw/zinc/29/76/25/387297625.db2.gz UBQNHSWNEBISDX-DCAQKATOSA-N 1 0 231.361 0.891 20 30 BCEDRO CC#CCN(C)C(=O)NCCC[NH2+]C1CC1 ZINC000418285203 387301098 /nfs/dbraw/zinc/30/10/98/387301098.db2.gz FFKBMIDKEZEDAS-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000423980181 387461820 /nfs/dbraw/zinc/46/18/20/387461820.db2.gz CZLMLJCHPBKRSJ-ZYHUDNBSSA-N 1 0 226.320 0.632 20 30 BCEDRO CN(CCC[NH3+])C(=O)NCC(C)(C)CC#N ZINC000516091064 387457261 /nfs/dbraw/zinc/45/72/61/387457261.db2.gz CVYULCCLRHGJOO-UHFFFAOYSA-N 1 0 226.324 0.916 20 30 BCEDRO C=CCOCC(=O)N(C)[C@H](C[NH3+])C1CC1 ZINC000423962334 387460487 /nfs/dbraw/zinc/46/04/87/387460487.db2.gz VBHVQVFZLKLYME-SNVBAGLBSA-N 1 0 212.293 0.385 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](COC)C(C)C ZINC000083400118 387411056 /nfs/dbraw/zinc/41/10/56/387411056.db2.gz VKUMACWBPXYJLS-QWRGUYRKSA-N 1 0 226.320 0.385 20 30 BCEDRO C[C@@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH+](C)C ZINC000292359573 387494044 /nfs/dbraw/zinc/49/40/44/387494044.db2.gz LNOHYJUOHWYTDP-VIFPVBQESA-N 1 0 234.303 0.814 20 30 BCEDRO C#C[C@H](C)[NH2+][C@@H](Cc1ccc(F)cc1)C(N)=O ZINC000274844856 387496056 /nfs/dbraw/zinc/49/60/56/387496056.db2.gz XGXQMUPHPKNJQS-CABZTGNLSA-N 1 0 234.274 0.833 20 30 BCEDRO C[C@@H](CNC(=O)c1ccc(C#N)cn1)[NH+](C)C ZINC000104211791 387505514 /nfs/dbraw/zinc/50/55/14/387505514.db2.gz YIWYGOXFXPSUQA-VIFPVBQESA-N 1 0 232.287 0.633 20 30 BCEDRO C[C@@H]1CCN(C(=O)[C@H]([NH3+])CCCC#N)C1 ZINC000424098325 387511394 /nfs/dbraw/zinc/51/13/94/387511394.db2.gz CPBKVRHEISWHRO-NXEZZACHSA-N 1 0 209.293 0.876 20 30 BCEDRO C=C(C)CC[N@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000275679323 387512679 /nfs/dbraw/zinc/51/26/79/387512679.db2.gz ZSLJWEHLJTVNNC-QWRGUYRKSA-N 1 0 227.304 0.951 20 30 BCEDRO CN(CCC[NH3+])C(=O)NCCCCC#N ZINC000516492607 387515822 /nfs/dbraw/zinc/51/58/22/387515822.db2.gz PXWWBBDFJMACPX-UHFFFAOYSA-N 1 0 212.297 0.670 20 30 BCEDRO C=CCCOCCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000417969442 387527976 /nfs/dbraw/zinc/52/79/76/387527976.db2.gz ZLZOUTJWRVLQGC-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO Cc1ncc(NC(=O)[C@@H]([NH3+])CCCC#N)cn1 ZINC000424111731 387544163 /nfs/dbraw/zinc/54/41/63/387544163.db2.gz HFWYYGNPBJJFCA-JTQLQIEISA-N 1 0 233.275 0.745 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000648084727 387533074 /nfs/dbraw/zinc/53/30/74/387533074.db2.gz SEKXREDMNCQZBV-BDAKNGLRSA-N 1 0 234.303 0.791 20 30 BCEDRO CC#CC(=O)NCCCC[NH+]1CCOCC1 ZINC000277528663 387536598 /nfs/dbraw/zinc/53/65/98/387536598.db2.gz UMBQRGWZGGCHMJ-UHFFFAOYSA-N 1 0 224.304 0.238 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H](C)[C@@H](C[NH3+])C1 ZINC000424030219 387468348 /nfs/dbraw/zinc/46/83/48/387468348.db2.gz ZTSVEDSSUGUKGW-QWRGUYRKSA-N 1 0 226.320 0.632 20 30 BCEDRO C=CCCn1cc(C(=O)N2CC[NH2+]C[C@@H]2C)nn1 ZINC000424058348 387472777 /nfs/dbraw/zinc/47/27/77/387472777.db2.gz KURFFAAXIGBAOZ-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C=CCCn1cc(C(=O)N2CC[NH2+][C@@H](C)C2)nn1 ZINC000424081003 387482011 /nfs/dbraw/zinc/48/20/11/387482011.db2.gz USBRRMFBPVTVSM-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H](C)C[NH2+]C ZINC000424086019 387486386 /nfs/dbraw/zinc/48/63/86/387486386.db2.gz ZVGCHSXGSAFGID-TUAOUCFPSA-N 1 0 240.347 0.939 20 30 BCEDRO C=C(C)CC[N@@H+](C)CC(=O)N1CCOCC1 ZINC000274741675 387489410 /nfs/dbraw/zinc/48/94/10/387489410.db2.gz FKHUDLSZMAXXLO-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000422041658 387546987 /nfs/dbraw/zinc/54/69/87/387546987.db2.gz URCZXPZIPHZHGH-YPMHNXCESA-N 1 0 240.347 0.866 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2ccccn2)n1 ZINC000353048621 387555326 /nfs/dbraw/zinc/55/53/26/387555326.db2.gz QMWFERZLZSEESI-UHFFFAOYSA-N 1 0 228.259 0.335 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@H]1CC[N@@H+](C)C1 ZINC000278964452 387558540 /nfs/dbraw/zinc/55/85/40/387558540.db2.gz WZNOZPFMUUNTHX-PWSUYJOCSA-N 1 0 226.320 0.381 20 30 BCEDRO CO[C@@H](CNC(=O)[C@@H]([NH3+])CCCC#N)C(C)C ZINC000424116545 387559354 /nfs/dbraw/zinc/55/93/54/387559354.db2.gz AHELUDBFJLTYBK-QWRGUYRKSA-N 1 0 241.335 0.795 20 30 BCEDRO C[C@@]1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCCO1 ZINC000424134412 387640428 /nfs/dbraw/zinc/64/04/28/387640428.db2.gz IBRBGXOPJAAOJW-JQWIXIFHSA-N 1 0 239.319 0.693 20 30 BCEDRO N#CCNC(=O)C[NH2+]C1(CCO)CCCCC1 ZINC000440904014 387710520 /nfs/dbraw/zinc/71/05/20/387710520.db2.gz BKWSLWXGDAAPNT-UHFFFAOYSA-N 1 0 239.319 0.301 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)C[N@H+](C)CCCO ZINC000440948311 387717175 /nfs/dbraw/zinc/71/71/75/387717175.db2.gz LTQOIYAFDFMJFG-LLVKDONJSA-N 1 0 241.335 0.309 20 30 BCEDRO C=CCCC[N@H+]1CCN(CCO)C[C@H]1C ZINC000452111095 387739886 /nfs/dbraw/zinc/73/98/86/387739886.db2.gz BDHDSCWHKXBQKG-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1CCSC1 ZINC000328048539 387761844 /nfs/dbraw/zinc/76/18/44/387761844.db2.gz YTSQFBHJIQKSBG-NSHDSACASA-N 1 0 240.372 0.811 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@]12C[C@H]1CC[NH2+]2 ZINC000422913110 387770731 /nfs/dbraw/zinc/77/07/31/387770731.db2.gz XUJPVVIKZRTGIU-PWSUYJOCSA-N 1 0 206.289 0.939 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]Cc2ccc(C(N)=O)nc2)C1 ZINC000442768042 387837988 /nfs/dbraw/zinc/83/79/88/387837988.db2.gz NPFMCEBXDPJDJT-ONGXEEELSA-N 1 0 244.298 0.962 20 30 BCEDRO N#CCNC(=O)C[N@H+]1CC[C@@H](O)C12CCCC2 ZINC000433009536 387849710 /nfs/dbraw/zinc/84/97/10/387849710.db2.gz HVTQSPLQUUHHTF-SNVBAGLBSA-N 1 0 237.303 0.006 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H](C)C#N ZINC000328105448 387874001 /nfs/dbraw/zinc/87/40/01/387874001.db2.gz MKQSRUBZIOLOJM-SNVBAGLBSA-N 1 0 207.277 0.217 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)N(C)CC[NH+](C)C ZINC000450025060 387863113 /nfs/dbraw/zinc/86/31/13/387863113.db2.gz RQNFKZXXNRLXDT-MWLCHTKSSA-N 1 0 209.293 0.556 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](C)[C@@H](C)OC ZINC000328076343 387864003 /nfs/dbraw/zinc/86/40/03/387864003.db2.gz FUACYFPUQZUUBF-NWDGAFQWSA-N 1 0 212.337 0.955 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H]2CCO[C@@H]2C)nn1 ZINC000424172093 387864216 /nfs/dbraw/zinc/86/42/16/387864216.db2.gz NHYFSDAMPAANLA-KOLCDFICSA-N 1 0 222.292 0.731 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2CCO[C@H]2C)nn1 ZINC000424172091 387864401 /nfs/dbraw/zinc/86/44/01/387864401.db2.gz NHYFSDAMPAANLA-GXSJLCMTSA-N 1 0 222.292 0.731 20 30 BCEDRO CC(C)(O)C[NH+]1CCN(CCC#N)CC1 ZINC000070557909 387865740 /nfs/dbraw/zinc/86/57/40/387865740.db2.gz IXNATFAICSTHKO-UHFFFAOYSA-N 1 0 211.309 0.289 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000328104924 387872738 /nfs/dbraw/zinc/87/27/38/387872738.db2.gz MGQPFHXPELILOW-SECBINFHSA-N 1 0 238.253 0.454 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1O ZINC000424180202 387890194 /nfs/dbraw/zinc/89/01/94/387890194.db2.gz NFKGMDHUDNMZGT-HBNTYKKESA-N 1 0 239.319 0.427 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@@H](C)[C@H](C)[NH3+])nn1 ZINC000424179735 387891410 /nfs/dbraw/zinc/89/14/10/387891410.db2.gz UBFCEIWRIVZVDS-IUCAKERBSA-N 1 0 237.307 0.320 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C(C)(F)F ZINC000393228784 387878054 /nfs/dbraw/zinc/87/80/54/387878054.db2.gz FWNRTJFWBNLNRY-UHFFFAOYSA-N 1 0 218.247 0.713 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)C1(C#N)CCC1 ZINC000168794319 387915050 /nfs/dbraw/zinc/91/50/50/387915050.db2.gz WCMUXDMWJGWXQI-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C[NH2+]C[C@H](C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424213790 387932320 /nfs/dbraw/zinc/93/23/20/387932320.db2.gz AVXJLXQUVXOJQC-LPEHRKFASA-N 1 0 209.293 0.650 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CC[C@H](C)[NH3+] ZINC000424214649 387933083 /nfs/dbraw/zinc/93/30/83/387933083.db2.gz XSTUHBKNVWSSTE-DCAQKATOSA-N 1 0 226.320 0.821 20 30 BCEDRO CO[C@H](C[NH3+])CC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424217393 387935493 /nfs/dbraw/zinc/93/54/93/387935493.db2.gz LEXDPBBFFKTBCU-AEJSXWLSSA-N 1 0 225.292 0.159 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2CCC[NH2+]C2)C1 ZINC000424218130 387935741 /nfs/dbraw/zinc/93/57/41/387935741.db2.gz QURSXBDBYYHHKY-HBNTYKKESA-N 1 0 221.304 0.794 20 30 BCEDRO CNC(=[NH2+])NCc1cccnc1-n1ccnc1 ZINC000195522641 387921268 /nfs/dbraw/zinc/92/12/68/387921268.db2.gz KNLXTAAFSAHHTE-UHFFFAOYSA-N 1 0 230.275 0.301 20 30 BCEDRO CNC(=[NH2+])NCc1cccnc1-n1cccn1 ZINC000195522394 387923227 /nfs/dbraw/zinc/92/32/27/387923227.db2.gz VRVYHOLWFYEOAJ-UHFFFAOYSA-N 1 0 230.275 0.301 20 30 BCEDRO C=CCOCCCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000178553755 387923974 /nfs/dbraw/zinc/92/39/74/387923974.db2.gz USQTWTHMJSLTMY-NSHDSACASA-N 1 0 226.320 0.776 20 30 BCEDRO C=CCOCCCC(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179084171 387926418 /nfs/dbraw/zinc/92/64/18/387926418.db2.gz JEEFNKJTJDCLFZ-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[C@@H](C)[NH3+] ZINC000424203148 387928973 /nfs/dbraw/zinc/92/89/73/387928973.db2.gz BPJLFYUDNCIHBC-UTLUCORTSA-N 1 0 212.293 0.431 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H](C)CC(N)=O ZINC000424284616 387953080 /nfs/dbraw/zinc/95/30/80/387953080.db2.gz CTPDQKJSJRNNGY-UTLUCORTSA-N 1 0 212.293 0.431 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CCC[N@H+]1C ZINC000452922657 387939678 /nfs/dbraw/zinc/93/96/78/387939678.db2.gz DOZGGJZAAJIJAH-VWYCJHECSA-N 1 0 224.304 0.540 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1CCC[N@H+]1C ZINC000452922656 387939950 /nfs/dbraw/zinc/93/99/50/387939950.db2.gz DOZGGJZAAJIJAH-MXWKQRLJSA-N 1 0 224.304 0.540 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C[N@@H+](CC)C1CC1 ZINC000452924832 387940091 /nfs/dbraw/zinc/94/00/91/387940091.db2.gz OKWSMESCWCGFIM-NEPJUHHUSA-N 1 0 238.331 0.930 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000423160508 387941344 /nfs/dbraw/zinc/94/13/44/387941344.db2.gz ZJWQWKDRWXVOGY-XQHKEYJVSA-N 1 0 240.347 0.687 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000423160249 387941905 /nfs/dbraw/zinc/94/19/05/387941905.db2.gz ZJWQWKDRWXVOGY-RVMXOQNASA-N 1 0 240.347 0.687 20 30 BCEDRO C=C(CC)C[NH2+][C@@H]1CCN[C@@H]1C(=O)OCC ZINC000423161688 387943815 /nfs/dbraw/zinc/94/38/15/387943815.db2.gz OBZDURLJPNYPCQ-MNOVXSKESA-N 1 0 226.320 0.836 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C[C@@H]1C[NH2+]CCO1 ZINC000158390804 387963544 /nfs/dbraw/zinc/96/35/44/387963544.db2.gz WMLPYRXGWNJYFH-NXEZZACHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCn1cc(CN[C@H]2CCC[C@@H]2[NH3+])nn1 ZINC000424369508 387994831 /nfs/dbraw/zinc/99/48/31/387994831.db2.gz CMQLFYAGQOSVGB-QWRGUYRKSA-N 1 0 221.308 0.434 20 30 BCEDRO C[NH2+][C@@H]1CCN(C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000424461001 388012261 /nfs/dbraw/zinc/01/22/61/388012261.db2.gz CBLQGSFDLDWRID-HBNTYKKESA-N 1 0 236.319 0.682 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000071128770 388013654 /nfs/dbraw/zinc/01/36/54/388013654.db2.gz BRCNTPODZLALPK-QWRGUYRKSA-N 1 0 221.304 0.843 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCCC2)C1 ZINC000071128773 388014294 /nfs/dbraw/zinc/01/42/94/388014294.db2.gz BRCNTPODZLALPK-MNOVXSKESA-N 1 0 221.304 0.843 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2CCC[C@@H]([NH3+])C2)C1 ZINC000424473361 388017753 /nfs/dbraw/zinc/01/77/53/388017753.db2.gz WFPGUEBLHMXULN-HBNTYKKESA-N 1 0 236.319 0.811 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000440335088 388038773 /nfs/dbraw/zinc/03/87/73/388038773.db2.gz FNEYZLJODROUPZ-QWRGUYRKSA-N 1 0 246.376 0.870 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)CO[C@@H](C)COC ZINC000447269231 388059303 /nfs/dbraw/zinc/05/93/03/388059303.db2.gz AKTTUSRPGNNLGE-QWRGUYRKSA-N 1 0 217.309 0.517 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](O)CO[C@@H](C)COC ZINC000447272784 388059869 /nfs/dbraw/zinc/05/98/69/388059869.db2.gz XUXONFMCUBNDJR-NWDGAFQWSA-N 1 0 231.336 0.907 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@@H](C)CC(=O)NC ZINC000453367382 388061558 /nfs/dbraw/zinc/06/15/58/388061558.db2.gz TUXIIPDVEVHEIE-AXFHLTTASA-N 1 0 226.320 0.834 20 30 BCEDRO C=CC[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000447379709 388067919 /nfs/dbraw/zinc/06/79/19/388067919.db2.gz CHNWSBNSAVNSPZ-VXGBXAGGSA-N 1 0 229.320 0.518 20 30 BCEDRO CNC(=O)C[NH2+]C1CC(C#N)(c2ccccc2)C1 ZINC000086036669 388099004 /nfs/dbraw/zinc/09/90/04/388099004.db2.gz YATXRDWLDADPJB-UHFFFAOYSA-N 1 0 243.310 0.946 20 30 BCEDRO COC(=O)COC[C@@H](C)[NH2+]CC1(CC#N)CC1 ZINC000449303178 388170129 /nfs/dbraw/zinc/17/01/29/388170129.db2.gz XOMDZQOHVXZQIG-SNVBAGLBSA-N 1 0 240.303 0.848 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000454708634 388130781 /nfs/dbraw/zinc/13/07/81/388130781.db2.gz BAVCJPXVGFZTQM-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO Cc1nsc(NC(=O)NC[C@@H](C)[NH3+])c1C#N ZINC000591306315 388134333 /nfs/dbraw/zinc/13/43/33/388134333.db2.gz KWLNDFFMUZGALP-RXMQYKEDSA-N 1 0 239.304 0.792 20 30 BCEDRO C[C@@H](CO)N(C)Cc1ccncc1C#N ZINC000592085014 388150584 /nfs/dbraw/zinc/15/05/84/388150584.db2.gz AHTKFACJSFGKGG-VIFPVBQESA-N 1 0 205.261 0.766 20 30 BCEDRO C#CCN(CC)S(=O)(=O)CC[NH+]1CCCC1 ZINC000490741557 388251107 /nfs/dbraw/zinc/25/11/07/388251107.db2.gz SOXLTIPACPJHAS-UHFFFAOYSA-N 1 0 244.360 0.367 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCC[C@@]1(C)CO ZINC000490740411 388251613 /nfs/dbraw/zinc/25/16/13/388251613.db2.gz LETOEIRLCDHEDA-GVXVVHGQSA-N 1 0 238.331 0.265 20 30 BCEDRO C#CCN(CC#C)C(=S)NC1CC[NH+](C)CC1 ZINC000490778772 388253829 /nfs/dbraw/zinc/25/38/29/388253829.db2.gz KUBDORXTBLAFBU-UHFFFAOYSA-N 1 0 249.383 0.524 20 30 BCEDRO C#CCN(CC)CC(=O)N1C[C@@H](C)O[C@H](C)C1 ZINC000490780880 388254222 /nfs/dbraw/zinc/25/42/22/388254222.db2.gz SIZBAGWLSREFLT-VXGBXAGGSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCNC(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000490852052 388256684 /nfs/dbraw/zinc/25/66/84/388256684.db2.gz KNTQVQFRBKSNLS-NWDGAFQWSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1COCC1(C)C ZINC000313025852 256534320 /nfs/dbraw/zinc/53/43/20/256534320.db2.gz RANZRDGBIMBNBM-VHSXEESVSA-N 1 0 224.304 0.139 20 30 BCEDRO C[C@H]([NH2+]CC(N)=O)c1cccc(C#N)c1 ZINC000037183984 388210245 /nfs/dbraw/zinc/21/02/45/388210245.db2.gz QUOXXQIHUYGPQL-QMMMGPOBSA-N 1 0 203.245 0.694 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@H]1CC1(C)C ZINC000489459433 388215861 /nfs/dbraw/zinc/21/58/61/388215861.db2.gz SZXJIUAZMDYWJK-VIFPVBQESA-N 1 0 239.319 0.729 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@@H](CC)[NH+](C)C ZINC000456765096 388219164 /nfs/dbraw/zinc/21/91/64/388219164.db2.gz GIXPWVRBMUGXMD-GHMZBOCLSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)[C@H](CC)[NH+](C)C ZINC000456765099 388219340 /nfs/dbraw/zinc/21/93/40/388219340.db2.gz GIXPWVRBMUGXMD-QWRGUYRKSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCN(CCOC)C1 ZINC000449522199 388223215 /nfs/dbraw/zinc/22/32/15/388223215.db2.gz UPQGDFJJKRHOCM-XQQFMLRXSA-N 1 0 240.347 0.640 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)CC(=O)N(C)C ZINC000449522558 388223224 /nfs/dbraw/zinc/22/32/24/388223224.db2.gz VICMMGQLBGADHZ-AXFHLTTASA-N 1 0 226.320 0.786 20 30 BCEDRO C=C(CC)CNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000456811392 388223538 /nfs/dbraw/zinc/22/35/38/388223538.db2.gz JBOSEDROQVSBPM-LBPRGKRZSA-N 1 0 237.347 0.459 20 30 BCEDRO Cc1cc(C(=O)NC2(C#N)CC[NH+](C)CC2)[nH]n1 ZINC000518300102 256567451 /nfs/dbraw/zinc/56/74/51/256567451.db2.gz LMHGLCZXTILJSV-UHFFFAOYSA-N 1 0 247.302 0.436 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1C2CCC1CC2 ZINC000490544293 388239816 /nfs/dbraw/zinc/23/98/16/388239816.db2.gz HDYMLDIOUZTWTL-WHXUTIOJSA-N 1 0 206.289 0.751 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000490650032 388246136 /nfs/dbraw/zinc/24/61/36/388246136.db2.gz JPVCVQFDKPXNPC-NSHDSACASA-N 1 0 235.331 0.888 20 30 BCEDRO C#CCNC(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000490657627 388246545 /nfs/dbraw/zinc/24/65/45/388246545.db2.gz XMEUIIGHHDJZKP-NSHDSACASA-N 1 0 221.304 0.498 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CO[C@H](C)CC ZINC000491267794 388281403 /nfs/dbraw/zinc/28/14/03/388281403.db2.gz VJDPTGLHFJYSIW-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NCC[N@H+](C)C1CC1 ZINC000491278506 388281909 /nfs/dbraw/zinc/28/19/09/388281909.db2.gz UBUQOBCFNRHDNW-JTQLQIEISA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCC1([NH3+])CCC1 ZINC000491309274 388284377 /nfs/dbraw/zinc/28/43/77/388284377.db2.gz YIHTVCALTAPUAZ-JTQLQIEISA-N 1 0 223.320 0.969 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000491338016 388286377 /nfs/dbraw/zinc/28/63/77/388286377.db2.gz FQOZHXLDYHJLDL-NXEZZACHSA-N 1 0 209.293 0.436 20 30 BCEDRO C=CCCC[C@H](C)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451637596 388286655 /nfs/dbraw/zinc/28/66/55/388286655.db2.gz XKRSQWQVKNKEKK-GARJFASQSA-N 1 0 236.315 0.936 20 30 BCEDRO C#CCN(C(=O)C1CC[NH+](C)CC1)C1CC1 ZINC000491349550 388287439 /nfs/dbraw/zinc/28/74/39/388287439.db2.gz IVIHLAIDJPFLBI-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@H](CCC)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000491361058 388287987 /nfs/dbraw/zinc/28/79/87/388287987.db2.gz IQXMDCZMIOXIQD-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCCO[C@H]1C=C ZINC000451672053 388288999 /nfs/dbraw/zinc/28/89/99/388288999.db2.gz HCOCTNJYCGZBKE-MNOVXSKESA-N 1 0 224.304 0.612 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)COCC ZINC000451672401 388289038 /nfs/dbraw/zinc/28/90/38/388289038.db2.gz IABNMJJBFPZTIP-TUAOUCFPSA-N 1 0 229.320 0.707 20 30 BCEDRO C#CCNC(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000491371186 388289029 /nfs/dbraw/zinc/28/90/29/388289029.db2.gz DAYQFTWMTACCLU-NSHDSACASA-N 1 0 223.320 0.745 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[NH3+])c1ccc(F)cc1 ZINC000491381434 388290113 /nfs/dbraw/zinc/29/01/13/388290113.db2.gz FAWXEASVHCBRLC-LLVKDONJSA-N 1 0 235.262 0.758 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)C/C=C/C ZINC000491385950 388290630 /nfs/dbraw/zinc/29/06/30/388290630.db2.gz SZEANDICGYCBDL-JOAKQRRISA-N 1 0 224.304 0.043 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000491384120 388290884 /nfs/dbraw/zinc/29/08/84/388290884.db2.gz NNHHESIJOMJQCJ-RYUDHWBXSA-N 1 0 238.331 0.435 20 30 BCEDRO C#CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000491385355 388290940 /nfs/dbraw/zinc/29/09/40/388290940.db2.gz RDDBWAKJEPTLIO-GFCCVEGCSA-N 1 0 221.304 0.405 20 30 BCEDRO C#CCN1C(=O)C[C@H]([N@H+]2CC(C)=C[C@H](C)C2)C1=O ZINC000491427318 388293683 /nfs/dbraw/zinc/29/36/83/388293683.db2.gz KHDOGVWVUMGORO-JQWIXIFHSA-N 1 0 246.310 0.645 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000491427675 388293910 /nfs/dbraw/zinc/29/39/10/388293910.db2.gz LLTFXFAQROKIDF-NSHDSACASA-N 1 0 235.331 0.745 20 30 BCEDRO C#CCNC(=O)NCCC[NH2+]Cc1cccnc1 ZINC000491427975 388293917 /nfs/dbraw/zinc/29/39/17/388293917.db2.gz MUXKLQVFLGWJNC-UHFFFAOYSA-N 1 0 246.314 0.494 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)CSC ZINC000491440948 388294931 /nfs/dbraw/zinc/29/49/31/388294931.db2.gz SCPJDIKGEQIHOO-SNVBAGLBSA-N 1 0 228.361 0.857 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000491453911 388295702 /nfs/dbraw/zinc/29/57/02/388295702.db2.gz UKTSRKWHLIAQOL-NWDGAFQWSA-N 1 0 235.283 0.010 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@](C)(O)C1CC1 ZINC000491463189 388296001 /nfs/dbraw/zinc/29/60/01/388296001.db2.gz MBDBKEWPVWZAFL-CYBMUJFWSA-N 1 0 238.331 0.219 20 30 BCEDRO C[N@H+](CC(=O)NCC#N)[C@H](CO)CC(C)(C)C ZINC000451785837 388295993 /nfs/dbraw/zinc/29/59/93/388295993.db2.gz VTZPWZGKPPUZMS-JTQLQIEISA-N 1 0 241.335 0.355 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1ccccc1F ZINC000491473575 388297051 /nfs/dbraw/zinc/29/70/51/388297051.db2.gz FPLXSSGPLYUTEH-CABZTGNLSA-N 1 0 223.247 0.443 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000491474088 388297269 /nfs/dbraw/zinc/29/72/69/388297269.db2.gz JXQKAIBJFPCQTR-QWRGUYRKSA-N 1 0 223.320 0.825 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)COc1cccc(C)c1 ZINC000491484990 388298097 /nfs/dbraw/zinc/29/80/97/388298097.db2.gz MERLHMTWAHMBDY-STQMWFEESA-N 1 0 249.310 0.318 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H]2COCC2(C)C)C1=O ZINC000451814323 388298501 /nfs/dbraw/zinc/29/85/01/388298501.db2.gz SYHWKEYPZAJIFP-QWRGUYRKSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](OC)C1CC1 ZINC000491497760 388299136 /nfs/dbraw/zinc/29/91/36/388299136.db2.gz ZZHMKWWWSDQBFR-NSHDSACASA-N 1 0 224.304 0.141 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)COC(F)F ZINC000491497159 388299380 /nfs/dbraw/zinc/29/93/80/388299380.db2.gz VZILKHLQVJFJSQ-SECBINFHSA-N 1 0 247.241 0.866 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NO[C@@H](C)C=C)CC1 ZINC000491497700 388299429 /nfs/dbraw/zinc/29/94/29/388299429.db2.gz ZJKACZKIXMEAJJ-NSHDSACASA-N 1 0 236.315 0.954 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)C[N@@H+](C)CCC ZINC000491514333 388300068 /nfs/dbraw/zinc/30/00/68/388300068.db2.gz HOULJZVNLFGLPK-LLVKDONJSA-N 1 0 224.304 0.189 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000491525632 388301486 /nfs/dbraw/zinc/30/14/86/388301486.db2.gz TYGRKXGROWDYAM-QWHCGFSZSA-N 1 0 219.284 0.612 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1ccc(C)cc1 ZINC000491525630 388301590 /nfs/dbraw/zinc/30/15/90/388301590.db2.gz TYGRKXGROWDYAM-CHWSQXEVSA-N 1 0 219.284 0.612 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)CCc1ccccc1 ZINC000491535652 388302124 /nfs/dbraw/zinc/30/21/24/388302124.db2.gz DRAJZOFAPVCWMC-UONOGXRCSA-N 1 0 233.311 0.564 20 30 BCEDRO C#CCN1CCN2C(=O)N(CC(C)C)C[C@@H]2C1 ZINC000491535953 388302176 /nfs/dbraw/zinc/30/21/76/388302176.db2.gz GJTSENDSEONRAI-LBPRGKRZSA-N 1 0 235.331 0.697 20 30 BCEDRO C#CCN(CC#CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000491545741 388302913 /nfs/dbraw/zinc/30/29/13/388302913.db2.gz RUGGBRKFSABBCT-ZDUSSCGKSA-N 1 0 232.327 0.813 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1[C@H](C)C1(F)F ZINC000491569517 388303969 /nfs/dbraw/zinc/30/39/69/388303969.db2.gz WHQMYGYUZMOMEO-UWVGGRQHSA-N 1 0 244.285 0.959 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=S)NCC ZINC000491629679 388306465 /nfs/dbraw/zinc/30/64/65/388306465.db2.gz PQPAPOHSCQMABI-UHFFFAOYSA-N 1 0 213.350 0.426 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NC1CC[NH+](C)CC1 ZINC000491636349 388307308 /nfs/dbraw/zinc/30/73/08/388307308.db2.gz VUSGQTQKEFHBSQ-JTQLQIEISA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CCC)CC(C)(C)O ZINC000491647745 388307936 /nfs/dbraw/zinc/30/79/36/388307936.db2.gz ZJWACLBHPAADDX-UHFFFAOYSA-N 1 0 240.347 0.609 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C[C@@H](O)CC ZINC000491657151 388308473 /nfs/dbraw/zinc/30/84/73/388308473.db2.gz JQSLOVZYIHHDAM-NSHDSACASA-N 1 0 226.320 0.219 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@H]([NH3+])CC ZINC000491658567 388308977 /nfs/dbraw/zinc/30/89/77/388308977.db2.gz KKJYXCZMSWFWMG-ZJUUUORDSA-N 1 0 211.309 0.825 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1nc(C)oc1C ZINC000491663493 388309315 /nfs/dbraw/zinc/30/93/15/388309315.db2.gz MZZVOQSPGDUFRN-UHFFFAOYSA-N 1 0 249.314 0.563 20 30 BCEDRO C#CCN(C)C(=O)NCC1([NH3+])CCCCC1 ZINC000491692894 388311413 /nfs/dbraw/zinc/31/14/13/388311413.db2.gz SGECVEXGCLDJOQ-UHFFFAOYSA-N 1 0 223.320 0.923 20 30 BCEDRO C#CCNC(=O)NCC1CC[NH+](C2CC2)CC1 ZINC000491693988 388311490 /nfs/dbraw/zinc/31/14/90/388311490.db2.gz KHXHBZYZYKQNTL-UHFFFAOYSA-N 1 0 235.331 0.793 20 30 BCEDRO C#CCN(C)C(=O)N[C@H](C[NH3+])CCCC ZINC000491701166 388312726 /nfs/dbraw/zinc/31/27/26/388312726.db2.gz FRKGTJSWQCBECZ-JTQLQIEISA-N 1 0 211.309 0.779 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000491701939 388313057 /nfs/dbraw/zinc/31/30/57/388313057.db2.gz IFCMKKDNBPNYDK-PWSUYJOCSA-N 1 0 235.331 0.744 20 30 BCEDRO C#C[C@@H](C)N(C)CC1(C[N@H+](C)[C@@H](C)C#C)COC1 ZINC000491704760 388313166 /nfs/dbraw/zinc/31/31/66/388313166.db2.gz BSZGQCWQZQURKX-OKILXGFUSA-N 1 0 248.370 0.910 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N1C[C@@H](C)[C@](C)(C[NH3+])C1 ZINC000491707737 388313497 /nfs/dbraw/zinc/31/34/97/388313497.db2.gz STRZWNDTVOOFMT-NQBHXWOUSA-N 1 0 237.347 0.977 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cc1cc(C)no1 ZINC000491723093 388314423 /nfs/dbraw/zinc/31/44/23/388314423.db2.gz ATXYULDWPLDLPE-UHFFFAOYSA-N 1 0 249.314 0.597 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCC[NH+](CC)CC ZINC000491726717 388315313 /nfs/dbraw/zinc/31/53/13/388315313.db2.gz AIZGYOZFRLCJST-NSHDSACASA-N 1 0 225.336 0.991 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@@H](C)CC[NH3+])C(C)C ZINC000491728856 388315317 /nfs/dbraw/zinc/31/53/17/388315317.db2.gz DMDLHWZAPPUXHP-VHSXEESVSA-N 1 0 211.309 0.681 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H](C)[NH2+]CC ZINC000491726774 388315468 /nfs/dbraw/zinc/31/54/68/388315468.db2.gz ASYSNZYUUOQQJD-GFCCVEGCSA-N 1 0 235.331 0.653 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N[C@H]1CCc2[nH]cnc2C1 ZINC000491731807 388315772 /nfs/dbraw/zinc/31/57/72/388315772.db2.gz JDSXCCNFJAXLGD-UWVGGRQHSA-N 1 0 246.314 0.978 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cc1 ZINC000491735403 388316053 /nfs/dbraw/zinc/31/60/53/388316053.db2.gz UCDNTMPYXSICJM-NWDGAFQWSA-N 1 0 223.247 0.443 20 30 BCEDRO C#CCN(CC#N)C(=O)CCCC[NH+](C)C ZINC000491736835 388316405 /nfs/dbraw/zinc/31/64/05/388316405.db2.gz DNKNAAMVXNTJQC-UHFFFAOYSA-N 1 0 221.304 0.704 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCCSC1 ZINC000491738448 388316581 /nfs/dbraw/zinc/31/65/81/388316581.db2.gz IJFGYFOLTLPLDA-LLVKDONJSA-N 1 0 240.372 0.859 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)CO[C@@H](C)COC ZINC000491741134 388316815 /nfs/dbraw/zinc/31/68/15/388316815.db2.gz YUXOBIBAFPEXOS-RYUDHWBXSA-N 1 0 229.320 0.354 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)CO[C@H](C)COC ZINC000491741132 388316921 /nfs/dbraw/zinc/31/69/21/388316921.db2.gz YUXOBIBAFPEXOS-NEPJUHHUSA-N 1 0 229.320 0.354 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)CO[C@@H](C)COC)C1CC1 ZINC000491742469 388317011 /nfs/dbraw/zinc/31/70/11/388317011.db2.gz SOPXACJZKSGYPB-AAEUAGOBSA-N 1 0 241.331 0.496 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)CO[C@@H](C)COC ZINC000491741133 388317068 /nfs/dbraw/zinc/31/70/68/388317068.db2.gz YUXOBIBAFPEXOS-NWDGAFQWSA-N 1 0 229.320 0.354 20 30 BCEDRO C#CC[N@H+](CC#CC)CCCC(=O)NC ZINC000491747909 388317198 /nfs/dbraw/zinc/31/71/98/388317198.db2.gz NUYGRMXEOUVWQE-UHFFFAOYSA-N 1 0 206.289 0.471 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)C[NH+](CC)CC ZINC000491747687 388317229 /nfs/dbraw/zinc/31/72/29/388317229.db2.gz QFOXYYJCOFVFKJ-LLVKDONJSA-N 1 0 224.304 0.189 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1CCSCC1 ZINC000491752798 388317987 /nfs/dbraw/zinc/31/79/87/388317987.db2.gz MTPGMUVMJANRES-UHFFFAOYSA-N 1 0 240.372 0.859 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000491751888 388317988 /nfs/dbraw/zinc/31/79/88/388317988.db2.gz LLUXZVRWXIKNMS-SNVBAGLBSA-N 1 0 221.304 0.498 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)N(C)C)C1 ZINC000491760694 388318779 /nfs/dbraw/zinc/31/87/79/388318779.db2.gz SFLNWFNPCZFTBY-JTQLQIEISA-N 1 0 209.293 0.355 20 30 BCEDRO C#C[C@@H](NC(=O)NC1CC[NH2+]CC1)C(C)C ZINC000491778537 388320082 /nfs/dbraw/zinc/32/00/82/388320082.db2.gz YJPIJUUJTDTBFO-LLVKDONJSA-N 1 0 223.320 0.695 20 30 BCEDRO C#CCNC(=O)CCN1CCC[N@@H+](CC)CC1 ZINC000491778789 388320105 /nfs/dbraw/zinc/32/01/05/388320105.db2.gz IJPRTEZEWGHSKO-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1(COC)CCC1 ZINC000491781166 388320461 /nfs/dbraw/zinc/32/04/61/388320461.db2.gz NEDPXGNUSLMXFD-UHFFFAOYSA-N 1 0 238.331 0.532 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCCOC(C)C ZINC000491783301 388320624 /nfs/dbraw/zinc/32/06/24/388320624.db2.gz JMDDVBZAPIXBID-GFCCVEGCSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000491785556 388320839 /nfs/dbraw/zinc/32/08/39/388320839.db2.gz RZVAXKCFEXMPPI-GFCCVEGCSA-N 1 0 235.331 0.638 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H](O)C1CCC1 ZINC000491802751 388321579 /nfs/dbraw/zinc/32/15/79/388321579.db2.gz HCFMRMUZRIMIOE-GFCCVEGCSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CCCC[C@H]1C[NH3+] ZINC000491802880 388321589 /nfs/dbraw/zinc/32/15/89/388321589.db2.gz HLGNMXOZLOLCHV-WDEREUQCSA-N 1 0 223.320 0.779 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H](O)C1CCC1 ZINC000491802752 388321633 /nfs/dbraw/zinc/32/16/33/388321633.db2.gz HCFMRMUZRIMIOE-LBPRGKRZSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCN(C(=O)[C@H](C)[NH+]1CC(C)C1)C1CC1 ZINC000491804556 388321756 /nfs/dbraw/zinc/32/17/56/388321756.db2.gz LYHDOAAONYZZIE-NSHDSACASA-N 1 0 220.316 0.951 20 30 BCEDRO C#CCNC(=O)C[C@H](C)C1CC[NH2+]CC1 ZINC000491812343 388323019 /nfs/dbraw/zinc/32/30/19/388323019.db2.gz DTFNCWPJSWIXTR-JTQLQIEISA-N 1 0 208.305 0.762 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)COC[C@H]1CCCO1 ZINC000491816305 388323100 /nfs/dbraw/zinc/32/31/00/388323100.db2.gz WCIJKVNNNRRJND-RWMBFGLXSA-N 1 0 241.331 0.496 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H]1CCCNC1=O ZINC000491818136 388323490 /nfs/dbraw/zinc/32/34/90/388323490.db2.gz XKMBWXHRKVLTOA-NSHDSACASA-N 1 0 204.273 0.081 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)NCCCCC#N ZINC000491845077 388324644 /nfs/dbraw/zinc/32/46/44/388324644.db2.gz JHUXRQRFOZSQPX-SREVYHEPSA-N 1 0 209.293 0.914 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)N[C@@H](C#N)C1CC1 ZINC000491867494 388325142 /nfs/dbraw/zinc/32/51/42/388325142.db2.gz KZCDMBQCWKSEGX-XOULXFPDSA-N 1 0 207.277 0.523 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)N[C@@H](C#N)C1CC1 ZINC000491867488 388325345 /nfs/dbraw/zinc/32/53/45/388325345.db2.gz KZCDMBQCWKSEGX-FSIBCCDJSA-N 1 0 207.277 0.523 20 30 BCEDRO CC#CC[N@@H+]1C[C@H](O)C[C@@H]1[C@@H]1CCCOC1 ZINC000451300895 388261523 /nfs/dbraw/zinc/26/15/23/388261523.db2.gz MTZKTUMITTWLHZ-JHJVBQTASA-N 1 0 223.316 0.872 20 30 BCEDRO CC#CCC[N@H+]1CC[C@@](COC)(C(=O)OC)C1 ZINC000451333196 388262978 /nfs/dbraw/zinc/26/29/78/388262978.db2.gz JMMGMGYOXNCIKL-CYBMUJFWSA-N 1 0 239.315 0.911 20 30 BCEDRO C#CCN(CC#N)C(=O)C[N@@H+](CC)C1CC1 ZINC000491012531 388265134 /nfs/dbraw/zinc/26/51/34/388265134.db2.gz DGCMJZYXTBFYOT-UHFFFAOYSA-N 1 0 219.288 0.456 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@](C)(OC)C1 ZINC000491041557 388267125 /nfs/dbraw/zinc/26/71/25/388267125.db2.gz ZPIQURGHCRFHKY-DGCLKSJQSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)N(C)C[C@H]1C ZINC000491121441 388271175 /nfs/dbraw/zinc/27/11/75/388271175.db2.gz QYBPQRGGHSGENE-NWDGAFQWSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCN(CC#C)C(=O)CCCC[NH+](C)C ZINC000491127477 388271577 /nfs/dbraw/zinc/27/15/77/388271577.db2.gz WYPMRNANRZYCRB-UHFFFAOYSA-N 1 0 220.316 0.813 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCC[C@H]1[C@@H](C)O ZINC000491154471 388273290 /nfs/dbraw/zinc/27/32/90/388273290.db2.gz JQRFINONOISXIK-NEPJUHHUSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000491166709 388274208 /nfs/dbraw/zinc/27/42/08/388274208.db2.gz UDQTXKKBGYZJMS-GFCCVEGCSA-N 1 0 240.347 0.023 20 30 BCEDRO C#CCN(CCCCF)[C@@H]1CCS(=O)(=O)C1 ZINC000491178818 388275098 /nfs/dbraw/zinc/27/50/98/388275098.db2.gz BSUAEKQCTLDGML-LLVKDONJSA-N 1 0 247.335 0.858 20 30 BCEDRO C=CCCOCCNC(=O)/C=C\C[NH+](C)C ZINC000492284389 388340501 /nfs/dbraw/zinc/34/05/01/388340501.db2.gz UZBRBBPLIXICAW-SREVYHEPSA-N 1 0 226.320 0.813 20 30 BCEDRO Cc1cc(C#N)nc(NC[C@@](C)(O)C[NH+](C)C)n1 ZINC000227933767 388373853 /nfs/dbraw/zinc/37/38/53/388373853.db2.gz NQCGJXBQGKUMBS-GFCCVEGCSA-N 1 0 249.318 0.381 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1cc(C#N)ccn1 ZINC000227934546 388374058 /nfs/dbraw/zinc/37/40/58/388374058.db2.gz HRTIYXYSLYJCKG-LBPRGKRZSA-N 1 0 234.303 0.678 20 30 BCEDRO C=CCOCCCC(=O)NCC[NH2+]CC ZINC000236894864 388385448 /nfs/dbraw/zinc/38/54/48/388385448.db2.gz VXFWUZYLXGVGRE-UHFFFAOYSA-N 1 0 214.309 0.695 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000646610860 388394761 /nfs/dbraw/zinc/39/47/61/388394761.db2.gz UADWGXDMGDQVDF-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000646610863 388394916 /nfs/dbraw/zinc/39/49/16/388394916.db2.gz UADWGXDMGDQVDF-ZJUUUORDSA-N 1 0 212.293 0.134 20 30 BCEDRO COCCN(CC#N)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000515433680 256745446 /nfs/dbraw/zinc/74/54/46/256745446.db2.gz XNDNPEBCKTYVMI-NSHDSACASA-N 1 0 239.319 0.327 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)COC)C1CCCC1 ZINC000176920807 388466534 /nfs/dbraw/zinc/46/65/34/388466534.db2.gz FNRSNAMSHSDMGF-LBPRGKRZSA-N 1 0 211.305 0.872 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000646690772 388417897 /nfs/dbraw/zinc/41/78/97/388417897.db2.gz RQTBYVGJTNXCNI-GFCCVEGCSA-N 1 0 238.331 0.524 20 30 BCEDRO CCC[C@@H](C#N)NC(=O)[C@H]1CN(CC)CCO1 ZINC000525178167 388419903 /nfs/dbraw/zinc/41/99/03/388419903.db2.gz QVDRMRMNFWKDDE-WDEREUQCSA-N 1 0 239.319 0.516 20 30 BCEDRO C=CCCn1cc(C(=O)N(C)[C@@H]2CC[NH2+]C2)nn1 ZINC000573235860 388435372 /nfs/dbraw/zinc/43/53/72/388435372.db2.gz VMPPCLKPXOFPDG-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)COCC ZINC000167152114 388438466 /nfs/dbraw/zinc/43/84/66/388438466.db2.gz HKMDKYALJBHIRC-JTQLQIEISA-N 1 0 212.293 0.141 20 30 BCEDRO COC1(CO)CC[NH+](CCOCCC#N)CC1 ZINC000339130405 388480214 /nfs/dbraw/zinc/48/02/14/388480214.db2.gz NPCBUMRVBVORTO-UHFFFAOYSA-N 1 0 242.319 0.390 20 30 BCEDRO C[NH+](C)CCCCC(=O)N1CC(O)(CC#N)C1 ZINC000517227440 388543171 /nfs/dbraw/zinc/54/31/71/388543171.db2.gz VDMXBXUSKWCCLL-UHFFFAOYSA-N 1 0 239.319 0.205 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@@H](NC(=O)CC)C1 ZINC000649273268 388487580 /nfs/dbraw/zinc/48/75/80/388487580.db2.gz VWAORZRUZYJXGW-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO CC#CCN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648915471 388492100 /nfs/dbraw/zinc/49/21/00/388492100.db2.gz FFFZDGDZYOTDAQ-GHMZBOCLSA-N 1 0 208.305 0.808 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648921242 388494837 /nfs/dbraw/zinc/49/48/37/388494837.db2.gz PFQJSXCXXIDWPL-KKOKHZNYSA-N 1 0 238.331 0.786 20 30 BCEDRO CN(C(=O)CC#N)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000342469622 388497575 /nfs/dbraw/zinc/49/75/75/388497575.db2.gz TZVPPWQFWGXXKR-ZACCUICWSA-N 1 0 221.304 0.984 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000343341406 388499721 /nfs/dbraw/zinc/49/97/21/388499721.db2.gz PNCIBMZLHIKKOX-VIFPVBQESA-N 1 0 207.277 0.524 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H]1CCC[N@@H+](C(C)C)C1 ZINC000646780981 388500811 /nfs/dbraw/zinc/50/08/11/388500811.db2.gz QWWGTODAGGDIRL-RYUDHWBXSA-N 1 0 240.347 0.770 20 30 BCEDRO CC#CCNC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000135625679 388502267 /nfs/dbraw/zinc/50/22/67/388502267.db2.gz UHWZNHKUASGCIS-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO CC#CCNC(=O)NC[C@@H]1CCC[N@H+](C)C1 ZINC000135641532 388504320 /nfs/dbraw/zinc/50/43/20/388504320.db2.gz ZPDQLRKAFZPZDL-NSHDSACASA-N 1 0 223.320 0.651 20 30 BCEDRO C=CCOCC(=O)NCCc1cncn1C ZINC000548131989 388515380 /nfs/dbraw/zinc/51/53/80/388515380.db2.gz GUOPZAFULJSGDS-UHFFFAOYSA-N 1 0 223.276 0.281 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@@H+]2CC[C@@H](O)C2)CC1 ZINC000528422205 388521944 /nfs/dbraw/zinc/52/19/44/388521944.db2.gz SFTGDTMWJVVHFO-NXEZZACHSA-N 1 0 210.277 0.108 20 30 BCEDRO CC[C@@]1(O)CC[N@H+](C[C@H](O)CC2(C#N)CC2)C1 ZINC000528464239 388530228 /nfs/dbraw/zinc/53/02/28/388530228.db2.gz LCRGYSOTUXOOJI-DGCLKSJQSA-N 1 0 238.331 0.888 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H]([C@@H](C)O)C1 ZINC000136318965 388530578 /nfs/dbraw/zinc/53/05/78/388530578.db2.gz IOOAUZYVMVMBQN-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO CN(CC[NH3+])C(=O)c1ccc(C#N)cc1 ZINC000054417440 388594294 /nfs/dbraw/zinc/59/42/94/388594294.db2.gz IJIOJKXBVAAODU-UHFFFAOYSA-N 1 0 203.245 0.589 20 30 BCEDRO Cc1nc(C(=O)NC[C@@H](C)[NH+](C)C)ccc1C#N ZINC000298368783 388607003 /nfs/dbraw/zinc/60/70/03/388607003.db2.gz TWEGLKHXEGPZPL-SECBINFHSA-N 1 0 246.314 0.942 20 30 BCEDRO N#Cc1cccc(NC(=O)C[C@@H]2C[NH2+]CCO2)c1 ZINC000091299084 388610971 /nfs/dbraw/zinc/61/09/71/388610971.db2.gz ZUZYRIDWYDLKKE-GFCCVEGCSA-N 1 0 245.282 0.875 20 30 BCEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000528634795 388553728 /nfs/dbraw/zinc/55/37/28/388553728.db2.gz NXTMMSJBTUGVCZ-MXWKQRLJSA-N 1 0 226.320 0.652 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)c1cc(C#N)ccn1 ZINC000598161300 388561427 /nfs/dbraw/zinc/56/14/27/388561427.db2.gz QJGMKZSDQBUIGR-UHFFFAOYSA-N 1 0 244.298 0.587 20 30 BCEDRO C[C@]1(CO)CN(CC2(C#N)CC2)C[C@@]1(C)CO ZINC000528751688 388565930 /nfs/dbraw/zinc/56/59/30/388565930.db2.gz MNESZQBWOVJQCW-TXEJJXNPSA-N 1 0 238.331 0.603 20 30 BCEDRO CC#CCCCC(=O)NCC[N@H+](CC)CCO ZINC000183927357 388572296 /nfs/dbraw/zinc/57/22/96/388572296.db2.gz WIQMYKQQCLPVHL-UHFFFAOYSA-N 1 0 240.347 0.610 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000528782972 388572747 /nfs/dbraw/zinc/57/27/47/388572747.db2.gz JVNULBRLMAYDHL-BFQNTYOBSA-N 1 0 241.356 0.622 20 30 BCEDRO COCC#CCN1CCC[C@H]1c1ccc(=O)[nH]n1 ZINC000528795172 388575256 /nfs/dbraw/zinc/57/52/56/388575256.db2.gz RWCCKSABJGNKCC-LBPRGKRZSA-N 1 0 247.298 0.969 20 30 BCEDRO C[C@H](NC(=O)NCC[NH3+])c1ccc(C#N)cc1 ZINC000417110451 388673537 /nfs/dbraw/zinc/67/35/37/388673537.db2.gz KPDHWIAIIRNLKN-VIFPVBQESA-N 1 0 232.287 0.877 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000192224634 388677093 /nfs/dbraw/zinc/67/70/93/388677093.db2.gz RPHAOLIXLARALA-NEPJUHHUSA-N 1 0 227.304 0.108 20 30 BCEDRO CC1(C#N)CN(CCCN2CCOCC2)C1 ZINC000522058559 388677110 /nfs/dbraw/zinc/67/71/10/388677110.db2.gz RZXKQUUMBUMNDO-UHFFFAOYSA-N 1 0 223.320 0.554 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCC1CC[NH+](CC)CC1 ZINC000646869063 388682707 /nfs/dbraw/zinc/68/27/07/388682707.db2.gz URQPKSLGLYNFLA-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000646845296 388624420 /nfs/dbraw/zinc/62/44/20/388624420.db2.gz BWSJOECCAKSYSF-VXGBXAGGSA-N 1 0 238.331 0.478 20 30 BCEDRO C[NH+](C)[C@@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC000359083482 388629511 /nfs/dbraw/zinc/62/95/11/388629511.db2.gz PNYBZETWHJAVHC-LBPRGKRZSA-N 1 0 246.314 0.956 20 30 BCEDRO C=CCOC(=O)N1CCC2(C[NH2+]C2)CC1 ZINC000397008994 388629595 /nfs/dbraw/zinc/62/95/95/388629595.db2.gz VBPJFROPGZIBJX-UHFFFAOYSA-N 1 0 210.277 0.994 20 30 BCEDRO COCC[N@H+](C)CCCNc1ccncc1C#N ZINC000514642987 388643378 /nfs/dbraw/zinc/64/33/78/388643378.db2.gz KTWSEBIOOBMGLE-UHFFFAOYSA-N 1 0 248.330 0.755 20 30 BCEDRO C=C(C)CC[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000551968090 388650669 /nfs/dbraw/zinc/65/06/69/388650669.db2.gz WCLDPLABUCZFIW-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO Cn1cc(C[N@@H+]2C[C@H]3[C@H](CO)[C@H]3C2)cc1C#N ZINC000367795753 388651762 /nfs/dbraw/zinc/65/17/62/388651762.db2.gz HWIBOVSXOYQEBN-ITGUQSILSA-N 1 0 231.299 0.567 20 30 BCEDRO N#Cc1cncc(N2CC[C@@H]([NH+]3CC=CC3)C2)n1 ZINC000516967072 388659780 /nfs/dbraw/zinc/65/97/80/388659780.db2.gz GUKHSOLKDPTHRH-GFCCVEGCSA-N 1 0 241.298 0.799 20 30 BCEDRO Cc1nn(CC2CC[NH2+]CC2)c(=O)c(C#N)c1C ZINC000517932747 388662280 /nfs/dbraw/zinc/66/22/80/388662280.db2.gz PDYLLDZYERUDSS-UHFFFAOYSA-N 1 0 246.314 0.731 20 30 BCEDRO C[NH+](C)CCNC(=O)c1ccc(C#N)nc1 ZINC000115727280 388698424 /nfs/dbraw/zinc/69/84/24/388698424.db2.gz YCQVWJPGCQCIMQ-UHFFFAOYSA-N 1 0 218.260 0.245 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3cnc(C#N)cn3)C[C@H]21 ZINC000372189236 388702119 /nfs/dbraw/zinc/70/21/19/388702119.db2.gz WSBJPGCYIJHCDK-ZYHUDNBSSA-N 1 0 243.314 0.879 20 30 BCEDRO C=CCCC(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000087613563 388709137 /nfs/dbraw/zinc/70/91/37/388709137.db2.gz OUIJQJYZOJFCRK-JTQLQIEISA-N 1 0 211.309 0.054 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000127396527 388722493 /nfs/dbraw/zinc/72/24/93/388722493.db2.gz NRXLVUBKHPJITQ-DCAQKATOSA-N 1 0 224.304 0.139 20 30 BCEDRO C[C@H]1C[N@H+](CCCCC#N)C[C@@H](CO)O1 ZINC000229962766 388805949 /nfs/dbraw/zinc/80/59/49/388805949.db2.gz AOBMXPPSHVKFSH-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000251920387 388758281 /nfs/dbraw/zinc/75/82/81/388758281.db2.gz SIURKLSFNPOYBO-GRYCIOLGSA-N 1 0 238.331 0.481 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)CSCC#N ZINC000539417840 388759189 /nfs/dbraw/zinc/75/91/89/388759189.db2.gz ZUVDYCAPEOWVNW-UHFFFAOYSA-N 1 0 229.349 0.653 20 30 BCEDRO Cc1onc(CC(=O)NCC[NH+](C)C)c1C#N ZINC000330772857 388762295 /nfs/dbraw/zinc/76/22/95/388762295.db2.gz WRNHJHZUUYSDDC-UHFFFAOYSA-N 1 0 236.275 0.075 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@H]2CC[N@@H+](C)C2)nn1 ZINC000648743741 388781000 /nfs/dbraw/zinc/78/10/00/388781000.db2.gz QNBCVRGFXHBNCJ-SNVBAGLBSA-N 1 0 249.318 0.146 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2cnccc2C#N)C1 ZINC000332019942 388784208 /nfs/dbraw/zinc/78/42/08/388784208.db2.gz VMYNCWFNNZEJMT-UHFFFAOYSA-N 1 0 230.271 0.339 20 30 BCEDRO Cn1cc(C[N@H+](C)CCOCCO)cc1C#N ZINC000282656730 388818352 /nfs/dbraw/zinc/81/83/52/388818352.db2.gz GLINEMOKGXDMMY-UHFFFAOYSA-N 1 0 237.303 0.337 20 30 BCEDRO C=CC(C)(C)CCNc1nc(N)[nH+]c(N)n1 ZINC000624432586 388824796 /nfs/dbraw/zinc/82/47/96/388824796.db2.gz RVYUADHRCTUKEN-UHFFFAOYSA-N 1 0 222.296 0.133 20 30 BCEDRO CC(C)[N@H+](CCOCCC#N)CC(N)=O ZINC000338892288 135429365 /nfs/dbraw/zinc/42/93/65/135429365.db2.gz NCYYVENWJUVIKM-UHFFFAOYSA-N 1 0 213.281 0.112 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)C2(OC)CC2)CC1 ZINC000648773557 388861140 /nfs/dbraw/zinc/86/11/40/388861140.db2.gz OVJXZKVMGAAOHP-UHFFFAOYSA-N 1 0 238.331 0.932 20 30 BCEDRO CC#CC[N@H+](C)CCCN1CCCC1=O ZINC000564589616 388880773 /nfs/dbraw/zinc/88/07/73/388880773.db2.gz XOZXRXPHZPONLV-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)CCOC(C)C ZINC000564978913 388903809 /nfs/dbraw/zinc/90/38/09/388903809.db2.gz PWLOFDJVVXWUAW-NWDGAFQWSA-N 1 0 231.336 0.689 20 30 BCEDRO CC(C)COC[C@H](O)C[NH2+]C[C@H](C)C#N ZINC000564857764 388895446 /nfs/dbraw/zinc/89/54/46/388895446.db2.gz YBFJEQBAHOEIEX-GHMZBOCLSA-N 1 0 214.309 0.769 20 30 BCEDRO C=CC[C@@H](C)NC(=O)c1cn(CCC[NH3+])nn1 ZINC000564921628 388897742 /nfs/dbraw/zinc/89/77/42/388897742.db2.gz ZFQRGEPUFLQOLS-SECBINFHSA-N 1 0 237.307 0.321 20 30 BCEDRO C=CCOCC(=O)N[C@H](CC[NH3+])C(F)F ZINC000564956971 388901560 /nfs/dbraw/zinc/90/15/60/388901560.db2.gz WGHZTXXGEVHJPD-SSDOTTSWSA-N 1 0 222.235 0.288 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000565049958 388910693 /nfs/dbraw/zinc/91/06/93/388910693.db2.gz VAFNTIGZZOXYOU-GHMZBOCLSA-N 1 0 212.293 0.498 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(C)CC(C)(C)C#N ZINC000565175784 388921294 /nfs/dbraw/zinc/92/12/94/388921294.db2.gz WWNKCRUPVDLCGY-NSHDSACASA-N 1 0 227.352 0.781 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)CO[C@@H](C)COC ZINC000565489039 388948946 /nfs/dbraw/zinc/94/89/46/388948946.db2.gz KGVKEURMRTVGIV-TUAOUCFPSA-N 1 0 244.335 0.681 20 30 BCEDRO CN1CCN(C)[C@@H](c2noc(C(C)(C)C#N)n2)C1 ZINC000565512742 388950543 /nfs/dbraw/zinc/95/05/43/388950543.db2.gz LLXOIYCJRGGQIL-SECBINFHSA-N 1 0 249.318 0.789 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@@](C)(C[NH3+])C2)C1=O ZINC000565950505 388981181 /nfs/dbraw/zinc/98/11/81/388981181.db2.gz GCQSYAQYDBGZSL-YPMHNXCESA-N 1 0 237.347 0.444 20 30 BCEDRO C=C(Cl)CNC(=O)/C=C/C[NH+](C)C ZINC000265702667 388992860 /nfs/dbraw/zinc/99/28/60/388992860.db2.gz RIKSNCKNRBOCFX-SNAWJCMRSA-N 1 0 202.685 0.973 20 30 BCEDRO C#C[C@H](NC(=[NH2+])N[C@H](C)COC)C(C)(C)C ZINC000287313125 533278079 /nfs/dbraw/zinc/27/80/79/533278079.db2.gz UPYAQIPGJMQTFF-ZJUUUORDSA-N 1 0 225.336 0.974 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@H]1C[C@@H]2CCCC[N@@H+]2C1 ZINC000368412961 533295577 /nfs/dbraw/zinc/29/55/77/533295577.db2.gz QPMYEONBSRPAJF-SRVKXCTJSA-N 1 0 220.316 0.999 20 30 BCEDRO C#C[C@H](CC)NC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262496217 533299391 /nfs/dbraw/zinc/29/93/91/533299391.db2.gz WMICHIMIBTYYLH-NXEZZACHSA-N 1 0 209.293 0.434 20 30 BCEDRO C#Cc1ccc(C[NH2+]C[C@H](O)COC)cc1 ZINC000290525018 533343077 /nfs/dbraw/zinc/34/30/77/533343077.db2.gz XWDZLPQUYBLELK-ZDUSSCGKSA-N 1 0 219.284 0.765 20 30 BCEDRO C[NH+]=C(NCCOC)N(C)Cc1cccn1C ZINC000261964970 533477588 /nfs/dbraw/zinc/47/75/88/533477588.db2.gz LDYZOKHFDCCXJU-UHFFFAOYSA-N 1 0 238.335 0.679 20 30 BCEDRO C[NH+]=C(NCCN1CCC1)NC[C@@H]1CCCO1 ZINC000261732773 533478626 /nfs/dbraw/zinc/47/86/26/533478626.db2.gz OKLVSRQEAAQRAR-NSHDSACASA-N 1 0 240.351 0.036 20 30 BCEDRO C[NH+]=C(NCCNc1cnccn1)N1CCCC1 ZINC000262108651 533478701 /nfs/dbraw/zinc/47/87/01/533478701.db2.gz JZGIAPJJBLSPBN-UHFFFAOYSA-N 1 0 248.334 0.560 20 30 BCEDRO C[NH+]=C(NCCO)N1CCC2(C1)CCOCC2 ZINC000262769322 533478760 /nfs/dbraw/zinc/47/87/60/533478760.db2.gz HCVZPXKMTRHNPU-UHFFFAOYSA-N 1 0 241.335 0.057 20 30 BCEDRO C=C(C)C[N@@H+](C)CC(=O)NC1CCOCC1 ZINC000181255895 533494455 /nfs/dbraw/zinc/49/44/55/533494455.db2.gz HUDLACXWZGMCJJ-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@](C)(O)c1ccco1 ZINC000262302824 533510631 /nfs/dbraw/zinc/51/06/31/533510631.db2.gz APJMIEDDVWJCHC-GFCCVEGCSA-N 1 0 237.303 0.968 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCOC[C@@H]1OC ZINC000263064964 533511172 /nfs/dbraw/zinc/51/11/72/533511172.db2.gz GAXBEISAZCUKFR-QWRGUYRKSA-N 1 0 241.335 0.518 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@]1(O)CCO[C@H]1C ZINC000262862409 533511285 /nfs/dbraw/zinc/51/12/85/533511285.db2.gz UGDRXIDAQXHQEA-ONGXEEELSA-N 1 0 227.308 0.007 20 30 BCEDRO C[C@H](O)C[NH+]1CCN(c2ccnc(C#N)c2)CC1 ZINC000286795229 132215534 /nfs/dbraw/zinc/21/55/34/132215534.db2.gz KBLQPRRSDDYXDD-NSHDSACASA-N 1 0 246.314 0.456 20 30 BCEDRO CC[NH+]1CCN(c2cnc(C#N)cn2)CC1 ZINC000070942967 132391057 /nfs/dbraw/zinc/39/10/57/132391057.db2.gz VEIAHSOCUDFXDR-UHFFFAOYSA-N 1 0 217.276 0.490 20 30 BCEDRO COC[C@H](C[NH2+][C@H]1CC[C@@H](C#N)C1)OC ZINC000308971214 133452367 /nfs/dbraw/zinc/45/23/67/133452367.db2.gz ZOQXCGIQSLUYDN-VWYCJHECSA-N 1 0 212.293 0.930 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])NCC(=C)C ZINC000272863145 133543985 /nfs/dbraw/zinc/54/39/85/133543985.db2.gz SVPSUTYSSJAVJW-UHFFFAOYSA-N 1 0 245.348 0.068 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@@H]2C1 ZINC000351158368 133966028 /nfs/dbraw/zinc/96/60/28/133966028.db2.gz BLVMXTKEDSSHRW-HBNTYKKESA-N 1 0 224.304 0.385 20 30 BCEDRO C[C@@H](C#N)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000331513077 134000613 /nfs/dbraw/zinc/00/06/13/134000613.db2.gz RFKLJROMIQIMBR-VIFPVBQESA-N 1 0 221.304 0.889 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@@H](C)C[NH+](C)C ZINC000332511283 134005662 /nfs/dbraw/zinc/00/56/62/134005662.db2.gz MJHZZPIYTMIPJB-ONGXEEELSA-N 1 0 214.309 0.380 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]2OCCN(C)[C@@H]2C1 ZINC000332658840 134005983 /nfs/dbraw/zinc/00/59/83/134005983.db2.gz BUISSUKEAORJHX-GMTAPVOTSA-N 1 0 237.303 0.078 20 30 BCEDRO CC[N@@H+]1CC[C@H]2OCCN(C(=O)CC#N)[C@H]2C1 ZINC000332659961 134006167 /nfs/dbraw/zinc/00/61/67/134006167.db2.gz BCEDGIULOMYAFX-WDEREUQCSA-N 1 0 237.303 0.222 20 30 BCEDRO C=CCNC(=O)CN1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000351928806 134009580 /nfs/dbraw/zinc/00/95/80/134009580.db2.gz WFJWQXVUGNQCEK-WDEREUQCSA-N 1 0 225.336 0.313 20 30 BCEDRO N#CCCN1CC[C@H](C(=O)N2CCCC2)C1 ZINC000335959405 134024062 /nfs/dbraw/zinc/02/40/62/134024062.db2.gz WTOHXEPYGHSZMZ-NSHDSACASA-N 1 0 221.304 0.844 20 30 BCEDRO CC(C)[N@@H+]1CCCN(C(=O)CC#N)CC1 ZINC000336075636 134073107 /nfs/dbraw/zinc/07/31/07/134073107.db2.gz NMYLRICEQNAQNL-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO C=C(C)CNS(=O)(=O)CC[NH+](CC)CC ZINC000352199713 134100004 /nfs/dbraw/zinc/10/00/04/134100004.db2.gz COWBWLUDPGAELS-UHFFFAOYSA-N 1 0 234.365 0.824 20 30 BCEDRO C=CCC[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352247131 134118470 /nfs/dbraw/zinc/11/84/70/134118470.db2.gz VOCPDVLQJDDBBY-UHFFFAOYSA-N 1 0 246.376 0.824 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000336385556 134145898 /nfs/dbraw/zinc/14/58/98/134145898.db2.gz FXSCCSUYUBSNMQ-SECBINFHSA-N 1 0 218.322 0.315 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cc(C(=O)OC)n(C)c1 ZINC000352472991 134146201 /nfs/dbraw/zinc/14/62/01/134146201.db2.gz MZMZCFVZDDFHRC-SNVBAGLBSA-N 1 0 238.287 0.448 20 30 BCEDRO N#CCC(=O)N1CCC[C@@H]1C[NH+]1CCCC1 ZINC000336425128 134146735 /nfs/dbraw/zinc/14/67/35/134146735.db2.gz PURLASUSRKVROQ-LLVKDONJSA-N 1 0 221.304 0.987 20 30 BCEDRO C[NH+](C)CC(=O)NC1(C#N)CCSCC1 ZINC000336446985 134147623 /nfs/dbraw/zinc/14/76/23/134147623.db2.gz JIZYSOJCGNORBY-UHFFFAOYSA-N 1 0 227.333 0.454 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N2CCOCC2)[C@H]1C ZINC000336626102 134152051 /nfs/dbraw/zinc/15/20/51/134152051.db2.gz AWJFXIAZFOKYJI-VXGBXAGGSA-N 1 0 210.321 0.967 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1C(N)=O ZINC000305085265 134160061 /nfs/dbraw/zinc/16/00/61/134160061.db2.gz NTMDFJYMNVROMI-ZJUUUORDSA-N 1 0 212.293 0.263 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000353367633 134163365 /nfs/dbraw/zinc/16/33/65/134163365.db2.gz CSMLGXFJQKHOSE-MNOVXSKESA-N 1 0 224.304 0.257 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H](CC)Cn1cncn1 ZINC000353354973 134163410 /nfs/dbraw/zinc/16/34/10/134163410.db2.gz RPJKOGSBWIQJJR-NEPJUHHUSA-N 1 0 238.335 0.831 20 30 BCEDRO C[C@@H](C#N)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000353877584 134165414 /nfs/dbraw/zinc/16/54/14/134165414.db2.gz VPLLEVIEUBSFCT-ONGXEEELSA-N 1 0 221.304 0.889 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](C)[C@H](C)[C@H]1C ZINC000355508231 134173622 /nfs/dbraw/zinc/17/36/22/134173622.db2.gz KBJPANLWRKIVOX-WZRBSPASSA-N 1 0 240.347 0.865 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000356826544 134179548 /nfs/dbraw/zinc/17/95/48/134179548.db2.gz BRDVMEGGEWHQAR-FIQHERPVSA-N 1 0 240.347 0.911 20 30 BCEDRO C[C@@H](C#N)C(=O)NCCCC[NH+]1CCOCC1 ZINC000357819586 134185790 /nfs/dbraw/zinc/18/57/90/134185790.db2.gz DSXKFZHRTFGVDL-NSHDSACASA-N 1 0 239.319 0.375 20 30 BCEDRO CC1=CC[N@H+](CCNC(=O)[C@H](C)C#N)CC1 ZINC000358072371 134186476 /nfs/dbraw/zinc/18/64/76/134186476.db2.gz YYURTAYVSOIZSY-LLVKDONJSA-N 1 0 221.304 0.914 20 30 BCEDRO C[C@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)CC#N ZINC000358619569 134191027 /nfs/dbraw/zinc/19/10/27/134191027.db2.gz ZCGGFDMTRLWWSA-UWVGGRQHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H](OC)C[C@H]1C[NH3+] ZINC000359222662 134194312 /nfs/dbraw/zinc/19/43/12/134194312.db2.gz JXHXZRSRGNVJFU-QWRGUYRKSA-N 1 0 242.319 0.154 20 30 BCEDRO C[NH+](C)CC(=O)N1CCC(F)(C#N)CC1 ZINC000359392791 134195009 /nfs/dbraw/zinc/19/50/09/134195009.db2.gz RLBXUQIAOHVYEL-UHFFFAOYSA-N 1 0 213.256 0.402 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H]1C[NH+](C)C ZINC000362497139 134211443 /nfs/dbraw/zinc/21/14/43/134211443.db2.gz GOOIBAQZRKDCMD-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCO[C@@H](C2CC2)C1 ZINC000362560248 134211881 /nfs/dbraw/zinc/21/18/81/134211881.db2.gz NBPNJOBBKJAUKC-CMPLNLGQSA-N 1 0 238.331 0.788 20 30 BCEDRO CCN(CCC#N)C(=O)[C@@H]1C[N@H+](C)C[C@H]1C 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134227625 /nfs/dbraw/zinc/22/76/25/134227625.db2.gz QWJDJEKCGMOLST-UHFFFAOYSA-N 1 0 248.330 0.909 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000371266231 134228202 /nfs/dbraw/zinc/22/82/02/134228202.db2.gz KKKIGNPCRJXIGI-NWDGAFQWSA-N 1 0 235.331 0.936 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000371716987 134229391 /nfs/dbraw/zinc/22/93/91/134229391.db2.gz PYIFPLAKZMTORU-CHWSQXEVSA-N 1 0 238.331 0.836 20 30 BCEDRO N#C[C@@H]1CN(C(=O)[C@@H]2C[NH+]3CCC2CC3)CCO1 ZINC000371977295 134230237 /nfs/dbraw/zinc/23/02/37/134230237.db2.gz CPEQCMPSKXVUQK-VXGBXAGGSA-N 1 0 249.314 0.079 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(-n2ccnc2)nc1 ZINC000303261302 134233205 /nfs/dbraw/zinc/23/32/05/134233205.db2.gz OIOSUAABQQDLQY-UHFFFAOYSA-N 1 0 230.275 0.301 20 30 BCEDRO NC(=[NH2+])NCCC(=O)NC1CCCCC1 ZINC000303259523 134233227 /nfs/dbraw/zinc/23/32/27/134233227.db2.gz MHBVXAYHEIGPNI-UHFFFAOYSA-N 1 0 212.297 0.099 20 30 BCEDRO C#CCC[N@@H+]1CC[C@@H]2COC(=O)N[C@H]2C1 ZINC000374178706 134236017 /nfs/dbraw/zinc/23/60/17/134236017.db2.gz ZPUVXDPTRLNMEQ-ZJUUUORDSA-N 1 0 208.261 0.440 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@H](OC)CC1 ZINC000374678771 134237737 /nfs/dbraw/zinc/23/77/37/134237737.db2.gz MJZWGAHIITXWPP-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCC[C@@]2(C(=O)OC)C1 ZINC000374647994 134237816 /nfs/dbraw/zinc/23/78/16/134237816.db2.gz POCOBBLFBAYBNL-CMPLNLGQSA-N 1 0 207.273 0.895 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@]2(C1)CCCOC2 ZINC000375297999 134239199 /nfs/dbraw/zinc/23/91/99/134239199.db2.gz XDWTVFSIRNZYHS-ZDUSSCGKSA-N 1 0 238.331 0.791 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCNC(=O)CC1 ZINC000305107834 134240186 /nfs/dbraw/zinc/24/01/86/134240186.db2.gz ZTWQGUWPZONHFW-JTQLQIEISA-N 1 0 212.293 0.135 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@@H]([NH+]2CCCC2)[C@H]1C ZINC000376563830 134242635 /nfs/dbraw/zinc/24/26/35/134242635.db2.gz YTSQRNIBQJAZDS-IXBWVPESSA-N 1 0 239.319 0.704 20 30 BCEDRO CNC(=[NH2+])NC[C@H]1COC2(CCCCC2)O1 ZINC000305769382 134242987 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C=CCN1CC[C@H]([N@H+]2CC[C@H](CO)[C@H]2C)C1=O ZINC000337207962 135006528 /nfs/dbraw/zinc/00/65/28/135006528.db2.gz PPWNZIYXWHLWAH-UTUOFQBUSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC[C@@H](CO)[C@@H]2C)C1=O ZINC000337207960 135006562 /nfs/dbraw/zinc/00/65/62/135006562.db2.gz PPWNZIYXWHLWAH-SRVKXCTJSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](C)[C@@H]2CO)C1=O ZINC000337210453 135006620 /nfs/dbraw/zinc/00/66/20/135006620.db2.gz UCSZVWYHFAQGSF-WOPDTQHZSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@@H](S(C)(=O)=O)C1 ZINC000337463088 135016878 /nfs/dbraw/zinc/01/68/78/135016878.db2.gz QSHDWGPTEYVRDE-LLVKDONJSA-N 1 0 247.360 0.698 20 30 BCEDRO C[C@H](CO)[N@@H+](CCCC#N)C[C@H](C)O ZINC000248907486 135026319 /nfs/dbraw/zinc/02/63/19/135026319.db2.gz IIJMZDDQUPKEJY-ZJUUUORDSA-N 1 0 200.282 0.354 20 30 BCEDRO CC[C@H](C(=O)N(C)C[C@@H](C)C#N)[NH+](C)C ZINC000338200885 135030530 /nfs/dbraw/zinc/03/05/30/135030530.db2.gz DTOBXJJWCSHYQV-VHSXEESVSA-N 1 0 211.309 0.945 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCOC[C@H](C)C1 ZINC000338256885 135030726 /nfs/dbraw/zinc/03/07/26/135030726.db2.gz WKDUQMJJRKDKOT-MNOVXSKESA-N 1 0 226.320 0.645 20 30 BCEDRO COCC[C@@H]([NH2+]CC(=O)NCC#N)C(C)(C)C ZINC000338377322 135034994 /nfs/dbraw/zinc/03/49/94/135034994.db2.gz GXJDIYRWRLTNSO-SNVBAGLBSA-N 1 0 241.335 0.667 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H](CNS(C)(=O)=O)C1 ZINC000338544876 135039351 /nfs/dbraw/zinc/03/93/51/135039351.db2.gz BZJPIUDJTKVQGQ-NSHDSACASA-N 1 0 246.376 0.824 20 30 BCEDRO COCC[NH+]1CCN(CCOCCC#N)CC1 ZINC000338900087 135046791 /nfs/dbraw/zinc/04/67/91/135046791.db2.gz OLFBLCXVXCOMKW-UHFFFAOYSA-N 1 0 241.335 0.181 20 30 BCEDRO CCC[N@H+](CCO)CC(=O)N(CC)CCC#N ZINC000076951693 135053626 /nfs/dbraw/zinc/05/36/26/135053626.db2.gz GOCHQRSTXIFRRW-UHFFFAOYSA-N 1 0 241.335 0.453 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](CC)CCO ZINC000076944276 135053798 /nfs/dbraw/zinc/05/37/98/135053798.db2.gz FVPHDVPXKWZQLJ-UHFFFAOYSA-N 1 0 227.308 0.063 20 30 BCEDRO C[NH+](C)CCn1nnnc1SCCCC#N ZINC000076922977 135053861 /nfs/dbraw/zinc/05/38/61/135053861.db2.gz OEYFKVNNSIJBCJ-UHFFFAOYSA-N 1 0 240.336 0.631 20 30 BCEDRO CCC[C@@H]1C(=O)NCCN1CCOCCC#N ZINC000339059721 135055354 /nfs/dbraw/zinc/05/53/54/135055354.db2.gz OLQDFWABRONNAY-LLVKDONJSA-N 1 0 239.319 0.517 20 30 BCEDRO CC(C)C(=O)NCC[N@H+](C)CCOCCC#N ZINC000339061177 135056357 /nfs/dbraw/zinc/05/63/57/135056357.db2.gz XZXYDTGQVQBEDH-UHFFFAOYSA-N 1 0 241.335 0.621 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCOC[C@@H]1OCC ZINC000339092330 135058608 /nfs/dbraw/zinc/05/86/08/135058608.db2.gz SILYUZDKGUMJQA-RYUDHWBXSA-N 1 0 229.320 0.973 20 30 BCEDRO CNC(=O)[C@H]1CCC[C@H]1[NH2+]CCOCCC#N ZINC000339124840 135059404 /nfs/dbraw/zinc/05/94/04/135059404.db2.gz PUYAEHMMQQMHBF-WDEREUQCSA-N 1 0 239.319 0.421 20 30 BCEDRO C[C@H]1C(=O)N(C)CCN1CCOCCC#N ZINC000339098770 135059679 /nfs/dbraw/zinc/05/96/79/135059679.db2.gz HCIHGASEWBNNKQ-JTQLQIEISA-N 1 0 225.292 0.079 20 30 BCEDRO C=CCOCCN1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000339118343 135060940 /nfs/dbraw/zinc/06/09/40/135060940.db2.gz JWBRDXBEBLGGSX-ZDUSSCGKSA-N 1 0 242.363 0.578 20 30 BCEDRO COCC[C@]1([NH2+]CCOCCC#N)CCOC1 ZINC000339131815 135060948 /nfs/dbraw/zinc/06/09/48/135060948.db2.gz WKGQORGAWLNVTH-LBPRGKRZSA-N 1 0 242.319 0.702 20 30 BCEDRO C=CCOCCN1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000339118341 135061226 /nfs/dbraw/zinc/06/12/26/135061226.db2.gz JWBRDXBEBLGGSX-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@@H](C)CN1CCOCC1 ZINC000339138079 135061373 /nfs/dbraw/zinc/06/13/73/135061373.db2.gz SURDZOLHKQXIOX-ZDUSSCGKSA-N 1 0 242.363 0.842 20 30 BCEDRO C=CCOCC[N@@H+]1CCC[C@@H]2C(=O)NC[C@@H]21 ZINC000339155622 135062519 /nfs/dbraw/zinc/06/25/19/135062519.db2.gz OFFMXPDFPFEOSW-QWRGUYRKSA-N 1 0 224.304 0.399 20 30 BCEDRO C=CCOCC[N@H+]1CCC[C@](F)(CO)C1 ZINC000339198769 135065395 /nfs/dbraw/zinc/06/53/95/135065395.db2.gz NQEHIQDTIUMUFS-LLVKDONJSA-N 1 0 217.284 0.985 20 30 BCEDRO CC[N@@H+]1CC[C@H]2OCCN(CC#N)[C@H]2C1 ZINC000339384263 135072411 /nfs/dbraw/zinc/07/24/11/135072411.db2.gz GBRAOUYEYKFYJJ-WDEREUQCSA-N 1 0 209.293 0.305 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@H+](CC)[C@H](C)CO ZINC000339628133 135076684 /nfs/dbraw/zinc/07/66/84/135076684.db2.gz REWCFEQMSFLORU-LLVKDONJSA-N 1 0 241.335 0.451 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000251777226 135078087 /nfs/dbraw/zinc/07/80/87/135078087.db2.gz LFUDBXKZCFCWOT-WDEREUQCSA-N 1 0 226.320 0.645 20 30 BCEDRO N#Cc1csc(C[NH2+]C(CO)CO)c1 ZINC000086500345 135088237 /nfs/dbraw/zinc/08/82/37/135088237.db2.gz TZUBQTUHIJQTFV-UHFFFAOYSA-N 1 0 212.274 0.063 20 30 BCEDRO C=CCNC(=O)[C@H](C)N(C)CC(C)(C)C[NH3+] ZINC000086638117 135091627 /nfs/dbraw/zinc/09/16/27/135091627.db2.gz ZQXIDHHHWDHLSM-JTQLQIEISA-N 1 0 227.352 0.594 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252660647 135094160 /nfs/dbraw/zinc/09/41/60/135094160.db2.gz BMAALPHBTLHCEC-VWYCJHECSA-N 1 0 221.304 0.889 20 30 BCEDRO N#CC[C@@H]1C[C@H]2[C@@H](CCC[C@H]2[NH2+]CCO)O1 ZINC000252743143 135106736 /nfs/dbraw/zinc/10/67/36/135106736.db2.gz OWHPWVVFSAXNQN-DDHJBXDOSA-N 1 0 224.304 0.808 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2ccc(C#N)cc2)N1 ZINC000261590319 135110007 /nfs/dbraw/zinc/11/00/07/135110007.db2.gz UMPKQDMYFWXLED-SECBINFHSA-N 1 0 214.272 0.996 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@H](O)c1ccccc1 ZINC000261570150 135110343 /nfs/dbraw/zinc/11/03/43/135110343.db2.gz GTJKQZXKDJXYSQ-LLVKDONJSA-N 1 0 219.288 0.611 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1cc(C)nn1C ZINC000261753121 135111217 /nfs/dbraw/zinc/11/12/17/135111217.db2.gz KGCGTKABEXKYAB-QMMMGPOBSA-N 1 0 223.324 0.931 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nnc2n1CCCCC2 ZINC000261769040 135111341 /nfs/dbraw/zinc/11/13/41/135111341.db2.gz MJZNGEVYHQCAPM-UHFFFAOYSA-N 1 0 248.334 0.595 20 30 BCEDRO CNC(NCc1cn2cc(C)ccc2n1)=[NH+]C ZINC000261876206 135111809 /nfs/dbraw/zinc/11/18/09/135111809.db2.gz PXRSLOUDDDLOSB-UHFFFAOYSA-N 1 0 231.303 0.938 20 30 BCEDRO CN/C(=[NH+]/C)N1CC[C@H](C)[C@@H](n2ccnc2)C1 ZINC000262000373 135113956 /nfs/dbraw/zinc/11/39/56/135113956.db2.gz UFTUZDMYJRULLV-QWRGUYRKSA-N 1 0 235.335 0.971 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1nncn1C ZINC000262009832 135114133 /nfs/dbraw/zinc/11/41/33/135114133.db2.gz WHUCXVHTUJYXLD-SSDOTTSWSA-N 1 0 210.285 0.018 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCc1nc(C)no1 ZINC000262010502 135114351 /nfs/dbraw/zinc/11/43/51/135114351.db2.gz UBBOGNGXNLZPTP-UHFFFAOYSA-N 1 0 223.280 0.401 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CCO[C@H](C)C1 ZINC000262015115 135114512 /nfs/dbraw/zinc/11/45/12/135114512.db2.gz VRPVCMDBOWNSTP-NXEZZACHSA-N 1 0 211.309 0.892 20 30 BCEDRO CN(C(=[NH2+])NCc1nccn1C)C1CC1 ZINC000262208779 135117108 /nfs/dbraw/zinc/11/71/08/135117108.db2.gz INVYPYCCWAIMFC-UHFFFAOYSA-N 1 0 207.281 0.329 20 30 BCEDRO CCCNC(=[NH2+])NC[C@](C)(O)c1ccco1 ZINC000262475548 135118568 /nfs/dbraw/zinc/11/85/68/135118568.db2.gz ZQRAICGKIGDISQ-NSHDSACASA-N 1 0 225.292 0.801 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1COC2(CCCC2)O1 ZINC000262422625 135118637 /nfs/dbraw/zinc/11/86/37/135118637.db2.gz RYXRUFMOERSDMQ-SNVBAGLBSA-N 1 0 239.319 0.762 20 30 BCEDRO CNC(NC[C@H](O)c1ccc(C)o1)=[NH+]C ZINC000262404753 135118956 /nfs/dbraw/zinc/11/89/56/135118956.db2.gz VZJCNUPHZGZAMN-QMMMGPOBSA-N 1 0 211.265 0.416 20 30 BCEDRO CN/C(=[NH+]/C)N1CC[C@H](c2cnn(C)c2)C1 ZINC000262498691 135118974 /nfs/dbraw/zinc/11/89/74/135118974.db2.gz XMIVISIPJJLWRR-VIFPVBQESA-N 1 0 221.308 0.415 20 30 BCEDRO CCc1nc(CCNC(=[NH2+])NC2CC2)no1 ZINC000262415160 135118982 /nfs/dbraw/zinc/11/89/82/135118982.db2.gz QYLYZQMEKIYMLZ-UHFFFAOYSA-N 1 0 223.280 0.241 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H]1CCCS1 ZINC000262430240 135119181 /nfs/dbraw/zinc/11/91/81/135119181.db2.gz SJECIAQHYPYJPV-MRVPVSSYSA-N 1 0 217.338 0.433 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCNC(=O)c2ccccc2)N1 ZINC000262630906 135119350 /nfs/dbraw/zinc/11/93/50/135119350.db2.gz FSDJYCCPZYFQIH-SNVBAGLBSA-N 1 0 246.314 0.354 20 30 BCEDRO COc1ccc([C@@H](O)CNC2=[NH+]C[C@@H](C)N2)cc1 ZINC000262635761 135119611 /nfs/dbraw/zinc/11/96/11/135119611.db2.gz GUXVYGNRTIYYAC-SKDRFNHKSA-N 1 0 249.314 0.666 20 30 BCEDRO C=C(Cl)CNC(NC[C@@H]1CCOC1)=[NH+]C ZINC000262551667 135119680 /nfs/dbraw/zinc/11/96/80/135119680.db2.gz TYZHZGYZGRZUDL-VIFPVBQESA-N 1 0 231.727 0.940 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H](O)c2cccc(F)c2)N1 ZINC000262628823 135119777 /nfs/dbraw/zinc/11/97/77/135119777.db2.gz FEMSUIPWYFVUGR-GZMMTYOYSA-N 1 0 237.278 0.796 20 30 BCEDRO Cc1cccc([C@@H](O)CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262630309 135119834 /nfs/dbraw/zinc/11/98/34/135119834.db2.gz FPHFYBXARCWGJO-JQWIXIFHSA-N 1 0 233.315 0.966 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H]1CC[C@@H](CO)O1 ZINC000262647980 135120141 /nfs/dbraw/zinc/12/01/41/135120141.db2.gz PHMVHVJXDXMCLV-ZJUUUORDSA-N 1 0 227.308 0.007 20 30 BCEDRO CCc1nn(C)c(CC)c1CNC1=[NH+]CCN1C ZINC000262665890 135120341 /nfs/dbraw/zinc/12/03/41/135120341.db2.gz ORZSEPCODPZVDK-UHFFFAOYSA-N 1 0 249.362 0.936 20 30 BCEDRO COc1cccc([C@@H](O)CNC2=[NH+]CCN2C)c1 ZINC000262646738 135120501 /nfs/dbraw/zinc/12/05/01/135120501.db2.gz JIIJZTBTFQZXGP-LBPRGKRZSA-N 1 0 249.314 0.620 20 30 BCEDRO COc1ccccc1[C@H](O)CNC1=[NH+]CCN1C ZINC000262659128 135120583 /nfs/dbraw/zinc/12/05/83/135120583.db2.gz MMPCYLWJVHUAOS-LLVKDONJSA-N 1 0 249.314 0.620 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCOc2ncccc2F)N1 ZINC000262659748 135120721 /nfs/dbraw/zinc/12/07/21/135120721.db2.gz MPMGUILAMYHPKK-QMMMGPOBSA-N 1 0 238.266 0.537 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H](O)c2ccc(F)cc2)N1 ZINC000262640952 135120729 /nfs/dbraw/zinc/12/07/29/135120729.db2.gz HUDNGMUYQIFPSP-GZMMTYOYSA-N 1 0 237.278 0.796 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H](O)c2ccccc2F)N1 ZINC000262672451 135120857 /nfs/dbraw/zinc/12/08/57/135120857.db2.gz RSQLRFLUUARKQX-GZMMTYOYSA-N 1 0 237.278 0.796 20 30 BCEDRO CN1CC[NH+]=C1NCc1ncccc1O ZINC000262673579 135121191 /nfs/dbraw/zinc/12/11/91/135121191.db2.gz SERQOZGLVZAWDR-UHFFFAOYSA-N 1 0 206.249 0.178 20 30 BCEDRO C=CCNC(=[NH2+])NCc1snnc1C ZINC000262715157 135122097 /nfs/dbraw/zinc/12/20/97/135122097.db2.gz RLAZBFZUTAZJHV-UHFFFAOYSA-N 1 0 211.294 0.437 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H](C)[C@H](C[NH3+])C1 ZINC000253202317 135125059 /nfs/dbraw/zinc/12/50/59/135125059.db2.gz YQXARWAGKVBMHP-GRYCIOLGSA-N 1 0 239.363 0.594 20 30 BCEDRO CO[C@H]1COCC[C@@H]1CNC(=[NH2+])NC(C)(C)C ZINC000263148282 135125440 /nfs/dbraw/zinc/12/54/40/135125440.db2.gz PCZGQMDMWOGZRD-ZJUUUORDSA-N 1 0 243.351 0.741 20 30 BCEDRO C[NH+]=C(NCc1nnc2n1CCC2)N[C@@H]1C[C@H]1C ZINC000263276430 135126044 /nfs/dbraw/zinc/12/60/44/135126044.db2.gz YNEUEKDGEMQYQA-RKDXNWHRSA-N 1 0 248.334 0.298 20 30 BCEDRO C=CCNC(NCCn1ccnc1)=[NH+]C ZINC000263229819 135126254 /nfs/dbraw/zinc/12/62/54/135126254.db2.gz HSUCRXCCFIUSNE-UHFFFAOYSA-N 1 0 207.281 0.234 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)COc1cccc(C)c1 ZINC000264063857 135131026 /nfs/dbraw/zinc/13/10/26/135131026.db2.gz AJPLSDXNOONAHC-SNVBAGLBSA-N 1 0 237.303 0.269 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1c[nH]nc1C ZINC000264066307 135131177 /nfs/dbraw/zinc/13/11/77/135131177.db2.gz BHCTZZMIDRAGCZ-ZETCQYMHSA-N 1 0 209.297 0.921 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@H](O)c1ccc(F)cc1 ZINC000264078836 135131912 /nfs/dbraw/zinc/13/19/12/135131912.db2.gz GRQWWDLCIXXJDY-JTQLQIEISA-N 1 0 225.267 0.735 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](OC)c1ccccc1 ZINC000264091760 135132381 /nfs/dbraw/zinc/13/23/81/135132381.db2.gz LGBBNGWRQNZNHG-SNVBAGLBSA-N 1 0 207.277 0.908 20 30 BCEDRO CNC(=[NH2+])NC[C@H](OC)c1ccccc1 ZINC000264091758 135132446 /nfs/dbraw/zinc/13/24/46/135132446.db2.gz LGBBNGWRQNZNHG-JTQLQIEISA-N 1 0 207.277 0.908 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCc1cnn(C)c1 ZINC000264087042 135132513 /nfs/dbraw/zinc/13/25/13/135132513.db2.gz JWGYEHUOMXKTLR-VIFPVBQESA-N 1 0 223.324 0.665 20 30 BCEDRO CNC(=[NH2+])NCCOc1cccc(F)c1 ZINC000264093934 135132533 /nfs/dbraw/zinc/13/25/33/135132533.db2.gz MAUOPWDDGGGQHK-UHFFFAOYSA-N 1 0 211.240 0.739 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](O)c1ccc(OC)cc1 ZINC000264103071 135133492 /nfs/dbraw/zinc/13/34/92/135133492.db2.gz OOBZNULFRQEPCR-GFCCVEGCSA-N 1 0 249.314 0.819 20 30 BCEDRO CCCCNC(=[NH2+])NCCc1nc(C)no1 ZINC000264113523 135133592 /nfs/dbraw/zinc/13/35/92/135133592.db2.gz RUEBUDILMBOCQW-UHFFFAOYSA-N 1 0 225.296 0.625 20 30 BCEDRO COCCNC(=[NH2+])NCCc1cccs1 ZINC000264109245 135133600 /nfs/dbraw/zinc/13/36/00/135133600.db2.gz ONVAMRQUYMJEPJ-UHFFFAOYSA-N 1 0 227.333 0.841 20 30 BCEDRO [NH2+]=C(NCCc1cccs1)N1CCOCC1 ZINC000264115307 135133605 /nfs/dbraw/zinc/13/36/05/135133605.db2.gz PROKSKJDHMDGRH-UHFFFAOYSA-N 1 0 239.344 0.938 20 30 BCEDRO CNC(NCCc1cccc(O)c1)=[NH+]C ZINC000264112652 135133706 /nfs/dbraw/zinc/13/37/06/135133706.db2.gz RNFPHRJPPUJFTP-UHFFFAOYSA-N 1 0 207.277 0.730 20 30 BCEDRO CNC(=[NH2+])NC[C@H](O)c1ccc(C)cc1 ZINC000264121708 135134446 /nfs/dbraw/zinc/13/44/46/135134446.db2.gz VFUKCIGULMHVBM-JTQLQIEISA-N 1 0 207.277 0.563 20 30 BCEDRO CNC(NCc1ccc(OC)c(O)c1)=[NH+]C ZINC000264124966 135134511 /nfs/dbraw/zinc/13/45/11/135134511.db2.gz VZVVMNILLWRQJV-UHFFFAOYSA-N 1 0 223.276 0.696 20 30 BCEDRO CNC(=[NH2+])NCCN1CCc2sccc2C1 ZINC000264119702 135134630 /nfs/dbraw/zinc/13/46/30/135134630.db2.gz UOMBOHFQEATSMK-UHFFFAOYSA-N 1 0 238.360 0.640 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCC(=O)NC(C)C ZINC000264141525 135135110 /nfs/dbraw/zinc/13/51/10/135135110.db2.gz WSSHQFYMJVZTLT-UHFFFAOYSA-N 1 0 226.324 0.382 20 30 BCEDRO CNC(=[NH2+])NCCOc1ccccc1F ZINC000264140048 135135136 /nfs/dbraw/zinc/13/51/36/135135136.db2.gz WCFBLBQYYCNIBB-UHFFFAOYSA-N 1 0 211.240 0.739 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCn1ccnc1C ZINC000264130757 135135270 /nfs/dbraw/zinc/13/52/70/135135270.db2.gz XZTZBSFLTZVQTG-SECBINFHSA-N 1 0 223.324 0.894 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCc1nc(C)no1 ZINC000264158045 135135736 /nfs/dbraw/zinc/13/57/36/135135736.db2.gz ATINDVPTQGEVEQ-UHFFFAOYSA-N 1 0 237.307 0.791 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)Cc1ccccc1 ZINC000264155844 135135766 /nfs/dbraw/zinc/13/57/66/135135766.db2.gz AKLIREPMTBIKPC-JTQLQIEISA-N 1 0 207.277 0.124 20 30 BCEDRO CCCNC(=[NH2+])NCCc1cccc(C(N)=O)c1 ZINC000264286295 135137084 /nfs/dbraw/zinc/13/70/84/135137084.db2.gz OXBILQWYXULWOZ-UHFFFAOYSA-N 1 0 248.330 0.642 20 30 BCEDRO CCc1nc(CCNC(NC2CC2)=[NH+]C)no1 ZINC000264361805 135137939 /nfs/dbraw/zinc/13/79/39/135137939.db2.gz VFVKCOOZIGTRPQ-UHFFFAOYSA-N 1 0 237.307 0.502 20 30 BCEDRO CCCNC(=[NH2+])NC[C@@H](O)Cc1ccccc1 ZINC000264294212 135138171 /nfs/dbraw/zinc/13/81/71/135138171.db2.gz QFOXNKPFJSXNKE-LBPRGKRZSA-N 1 0 235.331 0.904 20 30 BCEDRO CCCNC(=[NH2+])NCCCc1nc(C)no1 ZINC000264317454 135138175 /nfs/dbraw/zinc/13/81/75/135138175.db2.gz WLKMGWMXAZVNTB-UHFFFAOYSA-N 1 0 225.296 0.625 20 30 BCEDRO C=CCNC(=[NH2+])NCCCc1cnn(C)c1 ZINC000264330107 135138286 /nfs/dbraw/zinc/13/82/86/135138286.db2.gz ZXCDJBNPGOGFKD-UHFFFAOYSA-N 1 0 221.308 0.443 20 30 BCEDRO CNC(=[NH2+])NC[C@@](C)(O)c1ccccc1 ZINC000265101518 135142134 /nfs/dbraw/zinc/14/21/34/135142134.db2.gz AXUJAQWWKYQSPE-LLVKDONJSA-N 1 0 207.277 0.428 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)NCCCCC#N ZINC000265679762 135145754 /nfs/dbraw/zinc/14/57/54/135145754.db2.gz JHUXRQRFOZSQPX-VOTSOKGWSA-N 1 0 209.293 0.914 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000260082420 135146590 /nfs/dbraw/zinc/14/65/90/135146590.db2.gz QGILLAHVDYYPRE-UWVGGRQHSA-N 1 0 209.293 0.745 20 30 BCEDRO CCNC(NC[C@H](O)c1cnn(C)c1)=[NH+]CC ZINC000266170211 135147829 /nfs/dbraw/zinc/14/78/29/135147829.db2.gz ZAXSGIRBIKQOGJ-JTQLQIEISA-N 1 0 239.323 0.029 20 30 BCEDRO CCc1cnc(CNC(=[NH2+])NCCOC)s1 ZINC000267436224 135153958 /nfs/dbraw/zinc/15/39/58/135153958.db2.gz NXAJCTXCHDZKIK-UHFFFAOYSA-N 1 0 242.348 0.756 20 30 BCEDRO CNC(NCCc1ccc2c(c1)CCO2)=[NH+]C ZINC000267427056 135154209 /nfs/dbraw/zinc/15/42/09/135154209.db2.gz LSVQWKIVNCFVGC-UHFFFAOYSA-N 1 0 233.315 0.959 20 30 BCEDRO CCCNC(=[NH2+])NCCc1noc(CC)n1 ZINC000267446794 135154817 /nfs/dbraw/zinc/15/48/17/135154817.db2.gz QHLPLVLWWAMIJG-UHFFFAOYSA-N 1 0 225.296 0.489 20 30 BCEDRO Cc1ncc(CNC2=[NH+]C[C@H](C)N2)s1 ZINC000261529253 135155177 /nfs/dbraw/zinc/15/51/77/135155177.db2.gz QMEHXJODAXLPHI-LURJTMIESA-N 1 0 210.306 0.889 20 30 BCEDRO Cc1ncc(CNC2=[NH+]C[C@@H](C)N2)s1 ZINC000261529255 135155232 /nfs/dbraw/zinc/15/52/32/135155232.db2.gz QMEHXJODAXLPHI-ZCFIWIBFSA-N 1 0 210.306 0.889 20 30 BCEDRO Cc1nccc(CNC2=[NH+]CCN2C)n1 ZINC000261529359 135155724 /nfs/dbraw/zinc/15/57/24/135155724.db2.gz APXXGWYPAHJBRE-UHFFFAOYSA-N 1 0 205.265 0.176 20 30 BCEDRO C=CCNC(=[NH2+])NCCCO[C@H]1CCOC1 ZINC000268095841 135158114 /nfs/dbraw/zinc/15/81/14/135158114.db2.gz VKSLJQWABOIKCZ-JTQLQIEISA-N 1 0 227.308 0.272 20 30 BCEDRO CNC(=[NH2+])NCCOc1ccc(Cl)cn1 ZINC000268339791 135158741 /nfs/dbraw/zinc/15/87/41/135158741.db2.gz AFJWEOXTRYSEFS-UHFFFAOYSA-N 1 0 228.683 0.648 20 30 BCEDRO Cc1ccncc1CNC1=[NH+]CCN1C ZINC000261533266 135164229 /nfs/dbraw/zinc/16/42/29/135164229.db2.gz KNSBEVHKQHOEAT-UHFFFAOYSA-N 1 0 204.277 0.781 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261533952 135165511 /nfs/dbraw/zinc/16/55/11/135165511.db2.gz MARAEAHRJGOXOI-MNOVXSKESA-N 1 0 225.336 0.348 20 30 BCEDRO CCNC(=[NH2+])NC[C@@](C)(O)c1ccccc1 ZINC000270053308 135168922 /nfs/dbraw/zinc/16/89/22/135168922.db2.gz BCZBNELESYGFJB-GFCCVEGCSA-N 1 0 221.304 0.818 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC2(C)CCOCC2)N1 ZINC000261537354 135173836 /nfs/dbraw/zinc/17/38/36/135173836.db2.gz VJHVIBGCUOQEFA-SECBINFHSA-N 1 0 211.309 0.740 20 30 BCEDRO Cc1nccc(CNC2=[NH+]C[C@H](C)N2)n1 ZINC000261538458 135176398 /nfs/dbraw/zinc/17/63/98/135176398.db2.gz YETVULXJZYBQQU-ZETCQYMHSA-N 1 0 205.265 0.222 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC[C@H]2CCCCO2)N1 ZINC000261538743 135177163 /nfs/dbraw/zinc/17/71/63/135177163.db2.gz ZDASHATWAWEQIB-NXEZZACHSA-N 1 0 211.309 0.883 20 30 BCEDRO C=CCN(CC(F)(F)F)C(=O)[C@H]1CC[NH2+]1 ZINC000261556813 135197044 /nfs/dbraw/zinc/19/70/44/135197044.db2.gz WJJKFVFNRHNLRP-SSDOTTSWSA-N 1 0 222.210 0.925 20 30 BCEDRO C=CCOCC(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000261558183 135198529 /nfs/dbraw/zinc/19/85/29/135198529.db2.gz XYNWOWHNDMGEPN-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCCS(=O)(=O)NCC[C@H]1CC[NH2+]C1 ZINC000261560098 135201079 /nfs/dbraw/zinc/20/10/79/135201079.db2.gz ZOSSLGCGLXCZJA-SNVBAGLBSA-N 1 0 232.349 0.482 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000261561155 135201733 /nfs/dbraw/zinc/20/17/33/135201733.db2.gz AKCOACADWNFDHT-JQWIXIFHSA-N 1 0 226.320 0.693 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2cccc(CO)c2)N1 ZINC000261566450 135208321 /nfs/dbraw/zinc/20/83/21/135208321.db2.gz DOZUSTZLZTXPMP-VIFPVBQESA-N 1 0 219.288 0.616 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CCC[C@@H]([NH3+])C1 ZINC000261568135 135210612 /nfs/dbraw/zinc/21/06/12/135210612.db2.gz FJKIFGFBQHYLMK-NXEZZACHSA-N 1 0 212.293 0.575 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H](O)Cn1cc([N+](=O)[O-])cn1 ZINC000121135285 135221045 /nfs/dbraw/zinc/22/10/45/135221045.db2.gz SDCWFMUECGIMKG-SNVBAGLBSA-N 1 0 240.263 0.270 20 30 BCEDRO C=CC[N@H+](C)CCCOC(=O)NC(N)=O ZINC000121467002 135223436 /nfs/dbraw/zinc/22/34/36/135223436.db2.gz BSAWKSPLJYMAQR-UHFFFAOYSA-N 1 0 215.253 0.299 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1[C@@H](C)CC[C@@H]1C ZINC000121957489 135226570 /nfs/dbraw/zinc/22/65/70/135226570.db2.gz ITIRJZZCIAEXLG-DCAQKATOSA-N 1 0 208.305 0.997 20 30 BCEDRO C=CCOCC(=O)N[C@@](C)(C[NH3+])C1CC1 ZINC000261585956 135226676 /nfs/dbraw/zinc/22/66/76/135226676.db2.gz QSGPIBLODSQILA-NSHDSACASA-N 1 0 212.293 0.433 20 30 BCEDRO C=CCN(C[C@H](C)[NH3+])[C@@H]1CCS(=O)(=O)C1 ZINC000261586329 135227867 /nfs/dbraw/zinc/22/78/67/135227867.db2.gz RAYPNHHCZHKQFH-VHSXEESVSA-N 1 0 232.349 0.009 20 30 BCEDRO C[C@@H](O)C[NH+]1CCC(CN(C)CC#N)CC1 ZINC000303248554 135227932 /nfs/dbraw/zinc/22/79/32/135227932.db2.gz DZRXMHADHMTAGE-LLVKDONJSA-N 1 0 225.336 0.535 20 30 BCEDRO C[C@H](CN1CCOCC1)[NH+]1CCC(C#N)CC1 ZINC000340936505 135231719 /nfs/dbraw/zinc/23/17/19/135231719.db2.gz HDXWZQNCXQOCGT-GFCCVEGCSA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[NH2+]C[C@H]1C ZINC000261546378 135238732 /nfs/dbraw/zinc/23/87/32/135238732.db2.gz KZBSPOOQARWSOC-NXEZZACHSA-N 1 0 232.349 0.480 20 30 BCEDRO C=CCN1CCC([NH2+][C@H](C)CC(=O)NC)CC1 ZINC000341905286 135244528 /nfs/dbraw/zinc/24/45/28/135244528.db2.gz VZOGDPKOWMURDT-LLVKDONJSA-N 1 0 239.363 0.751 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H]1Cc2ccccc2O1 ZINC000261697405 135246509 /nfs/dbraw/zinc/24/65/09/135246509.db2.gz BZRUIPBSOSTYDR-NSHDSACASA-N 1 0 249.314 0.541 20 30 BCEDRO C[NH+]=C(N[C@@H]1C[C@@H](OC)C1(C)C)N(C)C ZINC000261752827 135249913 /nfs/dbraw/zinc/24/99/13/135249913.db2.gz LVILKWLEMLFYLA-RKDXNWHRSA-N 1 0 213.325 0.937 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@@H](CC)[NH+](C)C ZINC000342215605 135253025 /nfs/dbraw/zinc/25/30/25/135253025.db2.gz SXANMUBOTIWRHS-GHMZBOCLSA-N 1 0 228.336 0.627 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ncnn1C(C)(C)C ZINC000261817576 135255255 /nfs/dbraw/zinc/25/52/55/135255255.db2.gz XOANQTIVFHOMBN-UHFFFAOYSA-N 1 0 224.312 0.409 20 30 BCEDRO [NH2+]=C(NCc1nnc2n1CCCC2)NC1CC1 ZINC000261880805 135260037 /nfs/dbraw/zinc/26/00/37/135260037.db2.gz QXDURSBXRMANNU-UHFFFAOYSA-N 1 0 234.307 0.181 20 30 BCEDRO Cc1nccc(CNC(=[NH2+])NC[C@H]2CCCO2)n1 ZINC000261881864 135260174 /nfs/dbraw/zinc/26/01/74/135260174.db2.gz RDBYBEOUAIIHEM-LLVKDONJSA-N 1 0 249.318 0.368 20 30 BCEDRO [NH2+]=C(NCCc1ccco1)NC[C@H]1CCCO1 ZINC000261905024 135262094 /nfs/dbraw/zinc/26/20/94/135262094.db2.gz WXVPLJZAWRZYBH-LLVKDONJSA-N 1 0 237.303 0.905 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCOC1)NC[C@@H]1CCCO1 ZINC000261914208 135262615 /nfs/dbraw/zinc/26/26/15/135262615.db2.gz ZAABVUUGRBRXMZ-ZJUUUORDSA-N 1 0 227.308 0.106 20 30 BCEDRO C[NH+]=C(NC1CCC1)N1CCO[C@@H](COC)C1 ZINC000261929570 135263523 /nfs/dbraw/zinc/26/35/23/135263523.db2.gz LJNZQDPTHOZTMK-LLVKDONJSA-N 1 0 241.335 0.462 20 30 BCEDRO C=CCNC(=[NH2+])NCc1noc(C2CC2)n1 ZINC000261925110 135263779 /nfs/dbraw/zinc/26/37/79/135263779.db2.gz JQAHAZLLLKPLJV-UHFFFAOYSA-N 1 0 221.264 0.537 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCc2nncn2C)C1 ZINC000261983277 135264249 /nfs/dbraw/zinc/26/42/49/135264249.db2.gz IYZITUJBTOLFKV-VIFPVBQESA-N 1 0 236.323 0.362 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCc2nccn2C)C1 ZINC000261963631 135267411 /nfs/dbraw/zinc/26/74/11/135267411.db2.gz AFQHGADOIPXXJT-JTQLQIEISA-N 1 0 235.335 0.967 20 30 BCEDRO COC(=O)[C@@H](C)CNC(=[NH2+])N1CCSCC1 ZINC000261973130 135267876 /nfs/dbraw/zinc/26/78/76/135267876.db2.gz DXYGMLLIRKNKRQ-QMMMGPOBSA-N 1 0 245.348 0.159 20 30 BCEDRO Cn1ccnc1CNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000261979234 135268875 /nfs/dbraw/zinc/26/88/75/135268875.db2.gz HJKBMBKTITYDEX-VIFPVBQESA-N 1 0 237.307 0.003 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCC(C)(C)C(N)=O)C1 ZINC000261976959 135268892 /nfs/dbraw/zinc/26/88/92/135268892.db2.gz GJURIGNKZHJEEK-VIFPVBQESA-N 1 0 240.351 0.545 20 30 BCEDRO Cn1ccnc1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261979231 135269082 /nfs/dbraw/zinc/26/90/82/135269082.db2.gz HJKBMBKTITYDEX-SECBINFHSA-N 1 0 237.307 0.003 20 30 BCEDRO CC(C)CNC(=[NH2+])NCCN1CCOC[C@@H]1C ZINC000262010311 135271970 /nfs/dbraw/zinc/27/19/70/135271970.db2.gz SYVCGKBEDMWXLE-NSHDSACASA-N 1 0 242.367 0.267 20 30 BCEDRO Cc1n[nH]cc1CNC(=[NH2+])NCC1CCC1 ZINC000262009468 135272191 /nfs/dbraw/zinc/27/21/91/135272191.db2.gz SSTYHSXRRFOHRZ-UHFFFAOYSA-N 1 0 221.308 0.923 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000262010610 135272266 /nfs/dbraw/zinc/27/22/66/135272266.db2.gz WMNFLHIDRQHWKG-SECBINFHSA-N 1 0 249.318 0.723 20 30 BCEDRO Cn1nccc1CNC(=[NH2+])N1CCSCC1 ZINC000262020147 135272791 /nfs/dbraw/zinc/27/27/91/135272791.db2.gz XPIJQMTWQUWKQH-UHFFFAOYSA-N 1 0 239.348 0.284 20 30 BCEDRO CC(C)NC(=[NH2+])NCCN1CCOC(C)(C)C1 ZINC000262017011 135273351 /nfs/dbraw/zinc/27/33/51/135273351.db2.gz WKXOONKMYPVVSQ-UHFFFAOYSA-N 1 0 242.367 0.410 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCCn2cncn2)C1 ZINC000262013638 135273404 /nfs/dbraw/zinc/27/34/04/135273404.db2.gz VCHXHTZAXHRDMV-JTQLQIEISA-N 1 0 236.323 0.325 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCO[C@@H](C)C1 ZINC000262024822 135273622 /nfs/dbraw/zinc/27/36/22/135273622.db2.gz ZBSXPFKRZXJDTM-DCAQKATOSA-N 1 0 243.351 0.741 20 30 BCEDRO Cn1nccc1CNC(=[NH2+])NCC1CCC1 ZINC000262026022 135273893 /nfs/dbraw/zinc/27/38/93/135273893.db2.gz ZKQUWSYVQBTRQR-UHFFFAOYSA-N 1 0 221.308 0.625 20 30 BCEDRO C[NH+]=C(NCCn1cccn1)N1CCCC1 ZINC000262137278 135281696 /nfs/dbraw/zinc/28/16/96/135281696.db2.gz OZSYNBZTYLSTBU-UHFFFAOYSA-N 1 0 221.308 0.554 20 30 BCEDRO C[C@@H]1COCCN1CC[NH2+][C@@H]1CCC[C@@H]1C#N ZINC000342507952 135285042 /nfs/dbraw/zinc/28/50/42/135285042.db2.gz ZYWUDCBNTQQXJO-JHJVBQTASA-N 1 0 237.347 0.989 20 30 BCEDRO [NH2+]=C(NCC[C@H]1CCOC1)NC[C@@H]1CCCO1 ZINC000262285206 135290929 /nfs/dbraw/zinc/29/09/29/135290929.db2.gz WKIDGROUONFQKF-QWRGUYRKSA-N 1 0 241.335 0.496 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCSC1)N1CCOCC1 ZINC000262293598 135291612 /nfs/dbraw/zinc/29/16/12/135291612.db2.gz ICPSTGZOGOJNJU-SNVBAGLBSA-N 1 0 243.376 0.777 20 30 BCEDRO C[NH+]=C(NCC(=O)OC(C)(C)C)NC1CC1 ZINC000262292149 135291653 /nfs/dbraw/zinc/29/16/53/135291653.db2.gz NWUQDTOQRQIPGH-UHFFFAOYSA-N 1 0 227.308 0.656 20 30 BCEDRO C=CCNC(=O)N[C@@H](C)[C@@H]1CCC[NH2+]C1 ZINC000262309324 135291965 /nfs/dbraw/zinc/29/19/65/135291965.db2.gz YSILCZXXWXZUFR-VHSXEESVSA-N 1 0 211.309 0.860 20 30 BCEDRO [NH2+]=C(NCC1=CCCOC1)NC[C@@H]1CCCO1 ZINC000262323315 135292772 /nfs/dbraw/zinc/29/27/72/135292772.db2.gz SKLQMUXIOQIROH-NSHDSACASA-N 1 0 239.319 0.416 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCC1(C)OCCO1 ZINC000262352286 135294521 /nfs/dbraw/zinc/29/45/21/135294521.db2.gz GBDBXPCRDSFHCH-VIFPVBQESA-N 1 0 229.324 0.842 20 30 BCEDRO CNC(NC[C@]1(N(C)C)CCSC1)=[NH+]C ZINC000262424008 135296017 /nfs/dbraw/zinc/29/60/17/135296017.db2.gz CBIXXKORLNZCPS-SNVBAGLBSA-N 1 0 230.381 0.219 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@]1(C)CCCC[C@@H]1O ZINC000262419777 135296151 /nfs/dbraw/zinc/29/61/51/135296151.db2.gz BAZIWTANGSQNNW-CMPLNLGQSA-N 1 0 225.336 0.819 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCCS1 ZINC000262427110 135296176 /nfs/dbraw/zinc/29/61/76/135296176.db2.gz RTZBYLLPYVZZIE-DTWKUNHWSA-N 1 0 231.365 0.821 20 30 BCEDRO CCn1ncnc1CNC(=[NH2+])NCC1CCC1 ZINC000262424069 135296364 /nfs/dbraw/zinc/29/63/64/135296364.db2.gz CDWGHXUMZFPAAQ-UHFFFAOYSA-N 1 0 236.323 0.502 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@]1(C)CCCC[C@@H]1O ZINC000262431033 135296991 /nfs/dbraw/zinc/29/69/91/135296991.db2.gz FAAAVOFFBTUKJF-CMPLNLGQSA-N 1 0 243.351 0.478 20 30 BCEDRO COCCNC(=[NH2+])NC[C@]1(C)CCCC[C@H]1O ZINC000262431037 135297192 /nfs/dbraw/zinc/29/71/92/135297192.db2.gz FAAAVOFFBTUKJF-PWSUYJOCSA-N 1 0 243.351 0.478 20 30 BCEDRO [NH2+]=C(NCCc1cn[nH]c1)NC[C@@H]1CCCO1 ZINC000262387410 135298344 /nfs/dbraw/zinc/29/83/44/135298344.db2.gz QFROQGHQVXTILP-JTQLQIEISA-N 1 0 237.307 0.036 20 30 BCEDRO Cc1nnc(CCNC(=[NH2+])NC2CC2)s1 ZINC000262395936 135298617 /nfs/dbraw/zinc/29/86/17/135298617.db2.gz SWTOKYRKJVKFBI-UHFFFAOYSA-N 1 0 225.321 0.456 20 30 BCEDRO CCc1nnc(CNC(NC)=[NH+]C)s1 ZINC000262383875 135298665 /nfs/dbraw/zinc/29/86/65/135298665.db2.gz PCPGCZCLOSTQLO-UHFFFAOYSA-N 1 0 213.310 0.395 20 30 BCEDRO [NH2+]=C(NCCN1CC=CCC1)NC1CC1 ZINC000262449926 135300262 /nfs/dbraw/zinc/30/02/62/135300262.db2.gz ZLIUPAKTCZTYRV-UHFFFAOYSA-N 1 0 208.309 0.315 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCCOCC2CC2)CCO1 ZINC000262466923 135300761 /nfs/dbraw/zinc/30/07/61/135300761.db2.gz NUQIOVRANNIMLY-JTQLQIEISA-N 1 0 241.335 0.448 20 30 BCEDRO CN1CC[NH+]=C1NCc1ccc(F)cn1 ZINC000262474456 135300791 /nfs/dbraw/zinc/30/07/91/135300791.db2.gz BTQKDCUQKRHHNH-UHFFFAOYSA-N 1 0 208.240 0.612 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCCOC2)CCO1 ZINC000262467120 135300956 /nfs/dbraw/zinc/30/09/56/135300956.db2.gz NYCVTBGNOIXJNU-GHMZBOCLSA-N 1 0 241.335 0.448 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@@H]2CCCO2)CCO1 ZINC000262467061 135301170 /nfs/dbraw/zinc/30/11/70/135301170.db2.gz NWQUUZXJTHIHHP-UWVGGRQHSA-N 1 0 227.308 0.201 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@@]2(C)CCOC2)CCO1 ZINC000262487171 135301502 /nfs/dbraw/zinc/30/15/02/135301502.db2.gz SVWNMXFUOGRAAN-CMPLNLGQSA-N 1 0 241.335 0.448 20 30 BCEDRO CS[C@@H](C)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262477115 135301512 /nfs/dbraw/zinc/30/15/12/135301512.db2.gz QJLYCTOBJIXCHB-BDAKNGLRSA-N 1 0 231.365 0.773 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@@H]2CCC=CO2)CCO1 ZINC000262476377 135301681 /nfs/dbraw/zinc/30/16/81/135301681.db2.gz QGHZDPSGQFICIK-MNOVXSKESA-N 1 0 239.319 0.715 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@H]2CCC=CO2)CCO1 ZINC000262476380 135301753 /nfs/dbraw/zinc/30/17/53/135301753.db2.gz QGHZDPSGQFICIK-WDEREUQCSA-N 1 0 239.319 0.715 20 30 BCEDRO CN(CCNC1=[NH+]CCN1C)CC(F)(F)F ZINC000262477875 135301958 /nfs/dbraw/zinc/30/19/58/135301958.db2.gz CMAGHVKTIHGGRW-UHFFFAOYSA-N 1 0 238.257 0.372 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCC2CCC2)CCO1 ZINC000262475652 135302016 /nfs/dbraw/zinc/30/20/16/135302016.db2.gz QAPFDSVXWNUPGE-SECBINFHSA-N 1 0 211.309 0.822 20 30 BCEDRO C=CCSCCNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262502689 135303317 /nfs/dbraw/zinc/30/33/17/135303317.db2.gz YXLXYFULPJQKSX-JTQLQIEISA-N 1 0 243.376 0.941 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@H]1COc2ccccc2O1 ZINC000262630320 135309214 /nfs/dbraw/zinc/30/92/14/135309214.db2.gz FPNZSGNAWOHKHN-SNVBAGLBSA-N 1 0 247.298 0.717 20 30 BCEDRO CC(=O)N1CCC[C@@H](CNC2=[NH+]C[C@@H](C)N2)C1 ZINC000262625040 135309331 /nfs/dbraw/zinc/30/93/31/135309331.db2.gz DGGLODLUJMFQRA-KOLCDFICSA-N 1 0 238.335 0.182 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@](C)(O)C(F)(F)F)N1 ZINC000262632595 135310044 /nfs/dbraw/zinc/31/00/44/135310044.db2.gz GAPSQQGCJQDOMM-FSPLSTOPSA-N 1 0 225.214 0.237 20 30 BCEDRO CSC1(CNC(=[NH2+])NC2CC2)CCOCC1 ZINC000262639880 135310172 /nfs/dbraw/zinc/31/01/72/135310172.db2.gz HAGQCLXLUFBYTA-UHFFFAOYSA-N 1 0 243.376 0.965 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2nnc3n2CCCCC3)N1 ZINC000262654862 135311023 /nfs/dbraw/zinc/31/10/23/135311023.db2.gz LGRWNAYUJPFKNA-VIFPVBQESA-N 1 0 248.334 0.442 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CCOC[C@H]1C ZINC000262644143 135311363 /nfs/dbraw/zinc/31/13/63/135311363.db2.gz IQFGYARCINHHIG-VWYCJHECSA-N 1 0 243.351 0.598 20 30 BCEDRO CN1CC[NH+]=C1NCCNC(=O)C(C)(C)C ZINC000262658943 135311773 /nfs/dbraw/zinc/31/17/73/135311773.db2.gz MJONBWYXZLKUCF-UHFFFAOYSA-N 1 0 226.324 0.040 20 30 BCEDRO CC1(C)[C@H](NC(=[NH2+])NC2CC2)[C@H]2CCO[C@@H]21 ZINC000262665131 135312188 /nfs/dbraw/zinc/31/21/88/135312188.db2.gz NBAXAFHVNUMAIE-BBBLOLIVSA-N 1 0 223.320 0.867 20 30 BCEDRO C[C@@H]1C[NH+]=C(N[C@@H]2[C@H]3CCO[C@H]3C23CCC3)N1 ZINC000262680727 135313077 /nfs/dbraw/zinc/31/30/77/135313077.db2.gz WBTHLRDNAFPTBB-GWOFURMSSA-N 1 0 235.331 0.881 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2ccc(N(C)C)nc2)N1 ZINC000262680692 135313079 /nfs/dbraw/zinc/31/30/79/135313079.db2.gz VZGVZHUDWUQQBA-VIFPVBQESA-N 1 0 233.319 0.585 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC(=O)Nc2ccccc2)N1 ZINC000262677891 135313136 /nfs/dbraw/zinc/31/31/36/135313136.db2.gz USFJUGZPYTXISP-SECBINFHSA-N 1 0 232.287 0.562 20 30 BCEDRO CN1CC[NH+]=C1NCc1cccc(O)c1 ZINC000262678688 135313147 /nfs/dbraw/zinc/31/31/47/135313147.db2.gz VAZHXNMQQPRDLP-UHFFFAOYSA-N 1 0 205.261 0.783 20 30 BCEDRO CN1CC[NH+]=C1N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262686838 135313622 /nfs/dbraw/zinc/31/36/22/135313622.db2.gz YQOVTLAEYFNDCY-AEJSXWLSSA-N 1 0 223.320 0.691 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@H]2C1 ZINC000342734205 135316915 /nfs/dbraw/zinc/31/69/15/135316915.db2.gz MSBBXGWXJCJQTN-SDDRHHMPSA-N 1 0 238.331 0.775 20 30 BCEDRO C[NH+]=C(NCCO)N[C@@H]1C[C@](C)(OC)C1(C)C ZINC000262781124 135318114 /nfs/dbraw/zinc/31/81/14/135318114.db2.gz LBQCLFBYVMDSHH-SKDRFNHKSA-N 1 0 243.351 0.347 20 30 BCEDRO CC[C@@H]1C[C@H]1NC(=[NH2+])NC[C@@H]1CCCO1 ZINC000262780367 135318326 /nfs/dbraw/zinc/31/83/26/135318326.db2.gz IWYYDSZWYIUHGP-KXUCPTDWSA-N 1 0 211.309 0.868 20 30 BCEDRO CCn1cccc(CNC(NC2CC2)=[NH+]C)c1=O ZINC000262841902 135321150 /nfs/dbraw/zinc/32/11/50/135321150.db2.gz RKLFDBBDOOGAHK-UHFFFAOYSA-N 1 0 248.330 0.696 20 30 BCEDRO N#Cc1ccc2ncc(C[NH2+]C3(CO)CC3)n2c1 ZINC000342776481 135327766 /nfs/dbraw/zinc/32/77/66/135327766.db2.gz KTXGCQZWITXAJC-UHFFFAOYSA-N 1 0 242.282 0.820 20 30 BCEDRO C[C@H]1CCC[C@@]1(O)CNC(=[NH2+])N1CCC1 ZINC000263031857 135328400 /nfs/dbraw/zinc/32/84/00/135328400.db2.gz BKWDMKIGDKLFQV-GXSJLCMTSA-N 1 0 211.309 0.558 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2C[C@@H](C)O[C@H]2C)N1 ZINC000263078020 135331222 /nfs/dbraw/zinc/33/12/22/135331222.db2.gz HHYLYLAQYCEZQZ-IMSYWVGJSA-N 1 0 211.309 0.737 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1nn(CC)nc1C ZINC000263077855 135331240 /nfs/dbraw/zinc/33/12/40/135331240.db2.gz RBFYZRCWHMTIBQ-MRVPVSSYSA-N 1 0 238.339 0.809 20 30 BCEDRO CO[C@@H]1COCC[C@@H]1CNC(=[NH2+])NC(C)C ZINC000263086999 135332279 /nfs/dbraw/zinc/33/22/79/135332279.db2.gz IMIIHBYRXGDQEQ-NXEZZACHSA-N 1 0 229.324 0.351 20 30 BCEDRO CO[C@H]1COCC[C@@H]1CNC1=[NH+]CCCN1C ZINC000263107545 135333315 /nfs/dbraw/zinc/33/33/15/135333315.db2.gz KUEZOXLLAUMELF-MNOVXSKESA-N 1 0 241.335 0.319 20 30 BCEDRO Cn1ncc(CNC(=[NH2+])NC2CCCC2)n1 ZINC000263120800 135333879 /nfs/dbraw/zinc/33/38/79/135333879.db2.gz DEOKZYASBGCZAO-UHFFFAOYSA-N 1 0 222.296 0.162 20 30 BCEDRO C[C@H]1CCC[C@]1(O)CNC(=[NH2+])NC1CCC1 ZINC000263126364 135335101 /nfs/dbraw/zinc/33/51/01/135335101.db2.gz MNZLTARYQMCOGK-CABZTGNLSA-N 1 0 225.336 0.994 20 30 BCEDRO CNC(NC[C@@H]1COC2(CCCCC2)O1)=[NH+]C ZINC000263141464 135335861 /nfs/dbraw/zinc/33/58/61/135335861.db2.gz JRLSYZQRORHAGT-SNVBAGLBSA-N 1 0 241.335 0.857 20 30 BCEDRO CC1(C)CCC[C@@]1(O)CNC(=[NH2+])N1CCC1 ZINC000263159246 135336133 /nfs/dbraw/zinc/33/61/33/135336133.db2.gz QJWLYSTZMQOTLK-GFCCVEGCSA-N 1 0 225.336 0.948 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1CC[C@@H](C)O1 ZINC000263191157 135338560 /nfs/dbraw/zinc/33/85/60/135338560.db2.gz VSVOSIYSLVREEF-AEJSXWLSSA-N 1 0 229.324 0.493 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCc1cnccn1 ZINC000263194231 135338853 /nfs/dbraw/zinc/33/88/53/135338853.db2.gz ZMJOMRPWDBDGAP-UHFFFAOYSA-N 1 0 219.292 0.500 20 30 BCEDRO CO[C@H]1CCC[C@@H]1CNC(=[NH2+])N1CCOCC1 ZINC000263191354 135338864 /nfs/dbraw/zinc/33/88/64/135338864.db2.gz YPCXSYXDEITILQ-MNOVXSKESA-N 1 0 241.335 0.448 20 30 BCEDRO CC1(C)[C@H](O)C[C@@H]1NC(=[NH2+])NC1CCC1 ZINC000263206164 135339281 /nfs/dbraw/zinc/33/92/81/135339281.db2.gz YGXNHTXZRXDMIY-DTWKUNHWSA-N 1 0 211.309 0.603 20 30 BCEDRO C[C@@H]1CC[C@H](CNC(=[NH2+])N2CCO[C@H](C)C2)O1 ZINC000263209116 135339367 /nfs/dbraw/zinc/33/93/67/135339367.db2.gz YTJMBKRFCBFGEH-GMTAPVOTSA-N 1 0 241.335 0.589 20 30 BCEDRO CCn1cccc(CNC2=[NH+]CCCN2C)c1=O ZINC000263203550 135339675 /nfs/dbraw/zinc/33/96/75/135339675.db2.gz XSXUSGVEYKXSJI-UHFFFAOYSA-N 1 0 248.330 0.649 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCN1CCOC[C@@H]1C ZINC000263273798 135343760 /nfs/dbraw/zinc/34/37/60/135343760.db2.gz XRIOKYPVFLEXBJ-MNOVXSKESA-N 1 0 242.367 0.410 20 30 BCEDRO CNC(NCCN(C)Cc1ccccc1)=[NH+]C ZINC000264098690 135362032 /nfs/dbraw/zinc/36/20/32/135362032.db2.gz NIRSFMKPSNDFGQ-UHFFFAOYSA-N 1 0 234.347 0.913 20 30 BCEDRO NC(=[NH2+])NCCCn1cc(Br)cn1 ZINC000287313267 135372171 /nfs/dbraw/zinc/37/21/71/135372171.db2.gz UQZAUYQJOQLUAU-UHFFFAOYSA-N 1 0 246.112 0.309 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H](C)[NH2+]C(C)(C)CC ZINC000290433675 135374485 /nfs/dbraw/zinc/37/44/85/135374485.db2.gz AOOGEVLXLALZRO-VHSXEESVSA-N 1 0 228.336 0.816 20 30 BCEDRO CN1CC[NH+]=C1NCCCc1nccs1 ZINC000290504532 135374548 /nfs/dbraw/zinc/37/45/48/135374548.db2.gz HZJOVJOCMCPYPX-UHFFFAOYSA-N 1 0 224.333 0.967 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](O)CC1 ZINC000293177036 135376576 /nfs/dbraw/zinc/37/65/76/135376576.db2.gz PNKXNHDCMKIUCN-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000295127907 135378091 /nfs/dbraw/zinc/37/80/91/135378091.db2.gz AOJVPHKXVQIMES-VHSXEESVSA-N 1 0 226.320 0.834 20 30 BCEDRO C=CCOCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@H]2C1 ZINC000339082422 135430417 /nfs/dbraw/zinc/43/04/17/135430417.db2.gz FHVDRUMKJXCLRA-SDDRHHMPSA-N 1 0 211.305 0.892 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H](CO)C(C)(C)C)C1=O ZINC000330389176 135473044 /nfs/dbraw/zinc/47/30/44/135473044.db2.gz NSEAGSCYYGYATI-MNOVXSKESA-N 1 0 240.347 0.770 20 30 BCEDRO C#CCC(CC#C)C(=O)N1CC([NH+](C)C)C1 ZINC000288382207 135598150 /nfs/dbraw/zinc/59/81/50/135598150.db2.gz IHCYIYPDOPDWBK-UHFFFAOYSA-N 1 0 218.300 0.422 20 30 BCEDRO CCO[C@@H]1C[C@H](NC(N)=[NH2+])C12CCOCC2 ZINC000184594017 135646053 /nfs/dbraw/zinc/64/60/53/135646053.db2.gz ISEDTBXIIJKYRA-DTWKUNHWSA-N 1 0 227.308 0.234 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@H]([NH3+])CC ZINC000295360034 135684174 /nfs/dbraw/zinc/68/41/74/135684174.db2.gz ZLSPXXGDOWSGKW-VHSXEESVSA-N 1 0 214.309 0.821 20 30 BCEDRO CC#CCNC(=O)N[C@H]1C[NH2+]CCC1(F)F ZINC000335298383 136007421 /nfs/dbraw/zinc/00/74/21/136007421.db2.gz DQUWWLAFJBAZGJ-QMMMGPOBSA-N 1 0 231.246 0.306 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000348038551 136028718 /nfs/dbraw/zinc/02/87/18/136028718.db2.gz CFRBDMJRBHVQFP-VXGBXAGGSA-N 1 0 229.320 0.661 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)CC(=O)NC ZINC000309100214 397850071 /nfs/dbraw/zinc/85/00/71/397850071.db2.gz GJQOHUKDTVTURK-ZJUUUORDSA-N 1 0 214.309 0.285 20 30 BCEDRO C#C[C@@H](CC)NC(=O)CCc1ncc[nH]1 ZINC000491749069 397867184 /nfs/dbraw/zinc/86/71/84/397867184.db2.gz SFDILERZKODABG-VIFPVBQESA-N 1 0 205.261 0.870 20 30 BCEDRO C=CCCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591765002 397934561 /nfs/dbraw/zinc/93/45/61/397934561.db2.gz VZBYAIVDUVQMKH-LBPRGKRZSA-N 1 0 225.336 0.749 20 30 BCEDRO C=CCCC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000591765001 397934580 /nfs/dbraw/zinc/93/45/80/397934580.db2.gz VZBYAIVDUVQMKH-GFCCVEGCSA-N 1 0 225.336 0.749 20 30 BCEDRO C=CCN(CC)C(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000372358040 397941784 /nfs/dbraw/zinc/94/17/84/397941784.db2.gz HOZUXRVPZHVWSO-GFCCVEGCSA-N 1 0 237.347 0.411 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592150175 397943466 /nfs/dbraw/zinc/94/34/66/397943466.db2.gz BMICUSKNSQQNFK-NSHDSACASA-N 1 0 210.277 0.539 20 30 BCEDRO Cc1cc(C)n(CC[N@@H+]2CC[C@](O)(CC#N)C2)n1 ZINC000592151778 397944696 /nfs/dbraw/zinc/94/46/96/397944696.db2.gz RGXPBDFJHUCFBE-CYBMUJFWSA-N 1 0 248.330 0.850 20 30 BCEDRO COCC[C@H](C)[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151425 397944780 /nfs/dbraw/zinc/94/47/80/397944780.db2.gz OTFZPRBOQDZKCI-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CC2=CCCOC2)C1 ZINC000592523337 397950925 /nfs/dbraw/zinc/95/09/25/397950925.db2.gz YPIMOZVVAZFCMS-GFCCVEGCSA-N 1 0 222.288 0.684 20 30 BCEDRO C#CC[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000192228266 397891808 /nfs/dbraw/zinc/89/18/08/397891808.db2.gz PZZQMBBBLDKAQM-UHFFFAOYSA-N 1 0 208.221 0.356 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)NCCC#N ZINC000332499379 397922394 /nfs/dbraw/zinc/92/23/94/397922394.db2.gz IEKQKXUSBXBBFS-UHFFFAOYSA-N 1 0 212.297 0.539 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)C(F)(F)F ZINC000388801239 398001408 /nfs/dbraw/zinc/00/14/08/398001408.db2.gz NAVBLZSASYHVCJ-ZETCQYMHSA-N 1 0 213.199 0.702 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000491513467 398046009 /nfs/dbraw/zinc/04/60/09/398046009.db2.gz CBIHCTVNYSVVGF-UWVGGRQHSA-N 1 0 211.309 0.777 20 30 BCEDRO CCO[C@@H]1COC[C@H]1[NH2+]CC#CCOC ZINC000650242846 398005464 /nfs/dbraw/zinc/00/54/64/398005464.db2.gz LMFXGMNRCLMVEC-GHMZBOCLSA-N 1 0 213.277 0.030 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCC[N@H+](C)C1CC1 ZINC000491615501 398048189 /nfs/dbraw/zinc/04/81/89/398048189.db2.gz DPJIOXAGBZKXAH-SNVBAGLBSA-N 1 0 223.320 0.744 20 30 BCEDRO CNC(=O)CCC[NH+]1CCC(C#N)CC1 ZINC000079840914 398028469 /nfs/dbraw/zinc/02/84/69/398028469.db2.gz YBJYGWVDJMPWQD-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](COC)C1 ZINC000491118781 398032688 /nfs/dbraw/zinc/03/26/88/398032688.db2.gz FVJKNJHUNBQBFM-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C[N@H+](CCOCCO)C[C@H](O)CC(C)(C)C#N ZINC000598617820 398033008 /nfs/dbraw/zinc/03/30/08/398033008.db2.gz HTAUFPCBHRFIMV-LLVKDONJSA-N 1 0 244.335 0.228 20 30 BCEDRO CCN(C(=O)CC#N)C1CC[NH+](C)CC1 ZINC000599985846 398049241 /nfs/dbraw/zinc/04/92/41/398049241.db2.gz LLSQCRYNMPVROF-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO C#C[C@@H](C)[N@@H+](C)CCOCC(=O)OCC ZINC000491276441 398036116 /nfs/dbraw/zinc/03/61/16/398036116.db2.gz JCLILBUMFQKJRP-SNVBAGLBSA-N 1 0 213.277 0.520 20 30 BCEDRO C=C(C)CN1CCN(CC[NH+](C)C)C(=O)C1 ZINC000649687105 398036259 /nfs/dbraw/zinc/03/62/59/398036259.db2.gz JCIKPRONYDADMV-UHFFFAOYSA-N 1 0 225.336 0.268 20 30 BCEDRO C#C[C@H](NC(=O)NCC[NH2+]CCOC)C(C)C ZINC000491305279 398037889 /nfs/dbraw/zinc/03/78/89/398037889.db2.gz ICWMIRXFUAHFHD-NSHDSACASA-N 1 0 241.335 0.179 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cc1ccoc1 ZINC000491306413 398038826 /nfs/dbraw/zinc/03/88/26/398038826.db2.gz MUEKSIIVEVCFJP-UHFFFAOYSA-N 1 0 234.299 0.893 20 30 BCEDRO C#CCN(C)C(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000491624626 398049588 /nfs/dbraw/zinc/04/95/88/398049588.db2.gz JNDFGIGLZQXWNU-GFCCVEGCSA-N 1 0 223.320 0.651 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000595054998 397980603 /nfs/dbraw/zinc/98/06/03/397980603.db2.gz YKZUBCZJCFLGSW-BBBLOLIVSA-N 1 0 207.277 0.547 20 30 BCEDRO N#C[C@@H]1CCC[C@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000595055001 397980990 /nfs/dbraw/zinc/98/09/90/397980990.db2.gz YKZUBCZJCFLGSW-UTLUCORTSA-N 1 0 207.277 0.547 20 30 BCEDRO C[C@@H]1[C@H](C)SCCN1CC(=O)NCC#N ZINC000118418405 397983802 /nfs/dbraw/zinc/98/38/02/397983802.db2.gz HANAWLWDKYDTBM-BDAKNGLRSA-N 1 0 227.333 0.452 20 30 BCEDRO C#CCN1C(=O)C[C@H]([NH2+]Cc2ccccc2)C1=O ZINC000491675196 398059815 /nfs/dbraw/zinc/05/98/15/398059815.db2.gz YVDATYPKTRUNJN-LBPRGKRZSA-N 1 0 242.278 0.537 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC1CC[NH+](C)CC1 ZINC000491763727 398065038 /nfs/dbraw/zinc/06/50/38/398065038.db2.gz AXQYCSMPBBPQMH-UHFFFAOYSA-N 1 0 247.342 0.749 20 30 BCEDRO CC(C)C[C@@H](C#N)NC(=O)[C@@H](C)[NH+](C)C ZINC000602090821 398067115 /nfs/dbraw/zinc/06/71/15/398067115.db2.gz SFJPUCLBMGKRQM-ZJUUUORDSA-N 1 0 211.309 0.991 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000491793517 398070904 /nfs/dbraw/zinc/07/09/04/398070904.db2.gz LWDZOISAOXWFIQ-IVZWLZJFSA-N 1 0 211.309 0.823 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000491796265 398072784 /nfs/dbraw/zinc/07/27/84/398072784.db2.gz YXJWKYPEKQRKPG-OUAUKWLOSA-N 1 0 239.319 0.156 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CCS(=O)(=O)NC ZINC000221096477 398093734 /nfs/dbraw/zinc/09/37/34/398093734.db2.gz KCHLXEVPLQQMHI-VIFPVBQESA-N 1 0 220.338 0.480 20 30 BCEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C1(C#N)CCC1 ZINC000602480060 398074673 /nfs/dbraw/zinc/07/46/73/398074673.db2.gz FELKMNIRMZFOFO-NXEZZACHSA-N 1 0 221.304 0.876 20 30 BCEDRO N#Cc1cccc(NC(=O)[C@H]2OCC[C@H]2[NH3+])c1 ZINC000602604290 398077231 /nfs/dbraw/zinc/07/72/31/398077231.db2.gz NYLWKNLBODXBFX-MNOVXSKESA-N 1 0 231.255 0.613 20 30 BCEDRO CO[C@]1(C[NH+]2CC(CC#N)C2)CCOC1 ZINC000602710143 398079220 /nfs/dbraw/zinc/07/92/20/398079220.db2.gz ULZRAZHNVHPSOC-NSHDSACASA-N 1 0 210.277 0.637 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C1CCN(C(C)=O)CC1 ZINC000320747139 398096125 /nfs/dbraw/zinc/09/61/25/398096125.db2.gz NAKHKXBLGQYSNM-ZDUSSCGKSA-N 1 0 240.347 0.914 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCn1nc2ccccn2c1=O ZINC000491667165 398056519 /nfs/dbraw/zinc/05/65/19/398056519.db2.gz USOZIUHPPDPCNU-NSHDSACASA-N 1 0 244.298 0.450 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000491667590 398057659 /nfs/dbraw/zinc/05/76/59/398057659.db2.gz LLAPNRCLLLHISV-WDEREUQCSA-N 1 0 224.304 0.187 20 30 BCEDRO CCN(CCO)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000193297778 398114258 /nfs/dbraw/zinc/11/42/58/398114258.db2.gz UAYUGOKXBIIAJH-STQMWFEESA-N 1 0 239.363 0.973 20 30 BCEDRO C[N@H+](CCc1ccc(F)cc1)CC(=O)NCC#N ZINC000066496501 398124054 /nfs/dbraw/zinc/12/40/54/398124054.db2.gz WSKPJOFVMNKYBD-UHFFFAOYSA-N 1 0 249.289 0.940 20 30 BCEDRO COCC[N@H+](C)CCNC(=O)C(C)(C)C#N ZINC000061380931 174275355 /nfs/dbraw/zinc/27/53/55/174275355.db2.gz YZDCQHJEWQGUTG-UHFFFAOYSA-N 1 0 227.308 0.231 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000680387321 487580110 /nfs/dbraw/zinc/58/01/10/487580110.db2.gz OZEAPBFQHMUQSQ-QWRGUYRKSA-N 1 0 241.335 0.317 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389905 487589698 /nfs/dbraw/zinc/58/96/98/487589698.db2.gz ABHQXSSVWKPAPO-RKDXNWHRSA-N 1 0 216.256 0.087 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000680431129 487592947 /nfs/dbraw/zinc/59/29/47/487592947.db2.gz ZPUURSDGGZRXCY-CHWSQXEVSA-N 1 0 222.332 0.805 20 30 BCEDRO C#CCCOc1ccc(C[NH2+]C[C@@H](O)CO)cc1 ZINC000276703170 166150635 /nfs/dbraw/zinc/15/06/35/166150635.db2.gz FMOZPXHKTPFCCG-CYBMUJFWSA-N 1 0 249.310 0.532 20 30 BCEDRO C#CCC(CC#C)C(=O)NC1CC[NH+](C)CC1 ZINC000277416945 166117058 /nfs/dbraw/zinc/11/70/58/166117058.db2.gz MCOFSJACYLJNFA-UHFFFAOYSA-N 1 0 232.327 0.860 20 30 BCEDRO C#CCCCCC(=O)N1CC([NH+](C)C)C1 ZINC000271867549 166121819 /nfs/dbraw/zinc/12/18/19/166121819.db2.gz PFOJSCIHFUIRRF-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CC[C@H]1CCNC1=O ZINC000568180963 322920933 /nfs/dbraw/zinc/92/09/33/322920933.db2.gz HHKQZHPOBFKWMB-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO C#CCCCN1CCO[C@@H](CNC(C)=O)C1 ZINC000271027026 166131145 /nfs/dbraw/zinc/13/11/45/166131145.db2.gz KCIPAIAOKKQHRT-LBPRGKRZSA-N 1 0 224.304 0.237 20 30 BCEDRO C=CCCn1cc(CN2CC3CC2(C[NH3+])C3)nn1 ZINC000662304819 409628586 /nfs/dbraw/zinc/62/85/86/409628586.db2.gz CCYGFFGCSBLTBT-UHFFFAOYSA-N 1 0 247.346 0.777 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2ccnn2C)CC1 ZINC000271999112 166137558 /nfs/dbraw/zinc/13/75/58/166137558.db2.gz HADRBCYPSHYUKS-UHFFFAOYSA-N 1 0 232.331 0.561 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000655245515 409701122 /nfs/dbraw/zinc/70/11/22/409701122.db2.gz NBUWBVMHPRNYSC-NTZNESFSSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CC[C@@]1(C(=O)N[C@H](C)CCCO)CCC[NH2+]1 ZINC000662612158 409786629 /nfs/dbraw/zinc/78/66/29/409786629.db2.gz UDYHIOUVIYYLQK-YPMHNXCESA-N 1 0 240.347 0.962 20 30 BCEDRO C=C[C@H](C)NC(=O)N(C)CC1C[NH+](C)C1 ZINC000660881552 409921598 /nfs/dbraw/zinc/92/15/98/409921598.db2.gz MVYKROAVTOAVLD-VIFPVBQESA-N 1 0 211.309 0.764 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000304276116 409966006 /nfs/dbraw/zinc/96/60/06/409966006.db2.gz WKZJZAVQWVKJFY-NEPJUHHUSA-N 1 0 228.336 0.546 20 30 BCEDRO C=C(C)CN(CC)C(=O)C(=O)N(C)CCC[NH3+] ZINC000662917889 409978504 /nfs/dbraw/zinc/97/85/04/409978504.db2.gz BCGUEQWHVMDKNL-UHFFFAOYSA-N 1 0 241.335 0.218 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1cc(C(N)=O)co1 ZINC000186876590 169744515 /nfs/dbraw/zinc/74/45/15/169744515.db2.gz GZUHEGBZQOOPDN-UHFFFAOYSA-N 1 0 238.291 0.535 20 30 BCEDRO C#CCNC(=O)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000173892397 166175673 /nfs/dbraw/zinc/17/56/73/166175673.db2.gz PGCKFBPRXZLGMH-QWRGUYRKSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000271852963 166177411 /nfs/dbraw/zinc/17/74/11/166177411.db2.gz WOMKEALGQKGXBV-UHFFFAOYSA-N 1 0 207.277 0.181 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000272274705 166178184 /nfs/dbraw/zinc/17/81/84/166178184.db2.gz YZTNRUSIMKHBBW-MNOVXSKESA-N 1 0 221.304 0.355 20 30 BCEDRO C#CCNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268096158 166179265 /nfs/dbraw/zinc/17/92/65/166179265.db2.gz AVJWMTUDHKOAHU-GXSJLCMTSA-N 1 0 221.304 0.402 20 30 BCEDRO C#CC[NH2+]C1(CC(=O)OC)CCOCC1 ZINC000154514766 166187882 /nfs/dbraw/zinc/18/78/82/166187882.db2.gz KYAOBDHZVSBIQI-UHFFFAOYSA-N 1 0 211.261 0.322 20 30 BCEDRO C#CCOc1ccc(C[NH2+]CCO)cc1 ZINC000045945538 166198767 /nfs/dbraw/zinc/19/87/67/166198767.db2.gz SJHOVVRVQZFRRA-UHFFFAOYSA-N 1 0 205.257 0.781 20 30 BCEDRO C#CCOc1ccccc1C[NH2+][C@@H](C)C(=O)NC ZINC000042560903 166200298 /nfs/dbraw/zinc/20/02/98/166200298.db2.gz BLWQTCFQMAXRDD-NSHDSACASA-N 1 0 246.310 0.923 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]CCO ZINC000020305950 166200402 /nfs/dbraw/zinc/20/04/02/166200402.db2.gz FHZRJGCEAFDGLH-UHFFFAOYSA-N 1 0 205.257 0.781 20 30 BCEDRO C=CCCC[N@H+]1C[C@H](O)C[C@@H]1C(=O)OC ZINC000163766434 166236639 /nfs/dbraw/zinc/23/66/39/166236639.db2.gz MWBVIJMVSRPZNI-NXEZZACHSA-N 1 0 213.277 0.561 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CCC[C@@H]1C[NH3+] ZINC000160385871 166272057 /nfs/dbraw/zinc/27/20/57/166272057.db2.gz BWACJNXIBYBARO-WDEREUQCSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@H]([NH3+])C1CC1 ZINC000137401237 166273539 /nfs/dbraw/zinc/27/35/39/166273539.db2.gz VWUMOLSAWPOFEG-ONGXEEELSA-N 1 0 226.320 0.821 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC1CC[NH2+]CC1 ZINC000262519610 166274371 /nfs/dbraw/zinc/27/43/71/166274371.db2.gz WUOMEFLARFHWPZ-SNVBAGLBSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[C@H]([NH3+])C1 ZINC000237409339 166274942 /nfs/dbraw/zinc/27/49/42/166274942.db2.gz GKEHIQRFTWCHMF-ZJUUUORDSA-N 1 0 212.293 0.527 20 30 BCEDRO C=CCC[C@H](O)C[N@H+](CC(N)=O)CC(C)C ZINC000178054219 166303695 /nfs/dbraw/zinc/30/36/95/166303695.db2.gz HYDWVPSTEBMUTN-NSHDSACASA-N 1 0 228.336 0.757 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@](F)(C(=O)OC)C1 ZINC000268435649 166303782 /nfs/dbraw/zinc/30/37/82/166303782.db2.gz DZUOGWWHJRANAQ-CMPLNLGQSA-N 1 0 245.294 0.901 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)CC(=O)NC(C)C ZINC000268633943 166304073 /nfs/dbraw/zinc/30/40/73/166304073.db2.gz LCGJBLJOWKXBFR-NSHDSACASA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)CC(C)(C)O ZINC000078727802 166327639 /nfs/dbraw/zinc/32/76/39/166327639.db2.gz NGXUJPQLIFRLLO-UHFFFAOYSA-N 1 0 240.347 0.890 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CCC[NH2+]CC1 ZINC000036946425 166327896 /nfs/dbraw/zinc/32/78/96/166327896.db2.gz HGOFCRYMSJWDSZ-UHFFFAOYSA-N 1 0 237.347 0.482 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC000171718326 166353587 /nfs/dbraw/zinc/35/35/87/166353587.db2.gz YZSWBZWAUMJRJA-UHFFFAOYSA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC000269560045 166353907 /nfs/dbraw/zinc/35/39/07/166353907.db2.gz QOOLHEZHYZKWRQ-UHFFFAOYSA-N 1 0 235.291 0.185 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)C[C@H]1CCC[C@@H]1O ZINC000270208723 166367060 /nfs/dbraw/zinc/36/70/60/166367060.db2.gz XZKYLOOGGCTNCV-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CO)C(C)(C)C ZINC000180632858 166370462 /nfs/dbraw/zinc/37/04/62/166370462.db2.gz VNMJHYHLIGGLFN-SECBINFHSA-N 1 0 214.309 0.285 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](CC)C[NH+]1CCCC1 ZINC000668830102 487617057 /nfs/dbraw/zinc/61/70/57/487617057.db2.gz VFQVSSKHBMSUBR-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCNC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000264482010 166378093 /nfs/dbraw/zinc/37/80/93/166378093.db2.gz NROBECUWLTZWNL-SNVBAGLBSA-N 1 0 227.308 0.192 20 30 BCEDRO C=CCNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@@H]1C ZINC000268179996 166380037 /nfs/dbraw/zinc/38/00/37/166380037.db2.gz NEMIYFJGUJWZIF-GXSJLCMTSA-N 1 0 223.320 0.954 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000368800372 166382999 /nfs/dbraw/zinc/38/29/99/166382999.db2.gz NSZBGHFWOYHHPH-ZJUUUORDSA-N 1 0 224.304 0.134 20 30 BCEDRO C=CCNC(=O)[C@H](C)C[NH+]1CCOCC1 ZINC000271090736 166387335 /nfs/dbraw/zinc/38/73/35/166387335.db2.gz HXJIZBKQWXSQDK-SNVBAGLBSA-N 1 0 212.293 0.257 20 30 BCEDRO C=CCNC(=O)c1ccn([C@@H]2CCC[NH2+]C2)n1 ZINC000262751408 166393905 /nfs/dbraw/zinc/39/39/05/166393905.db2.gz KLHPACMBWZWCDT-SNVBAGLBSA-N 1 0 234.303 0.723 20 30 BCEDRO C=CCCCN(C)C(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000393757355 410757131 /nfs/dbraw/zinc/75/71/31/410757131.db2.gz TVZDRXSLNSVTHQ-URLYPYJESA-N 1 0 208.305 0.876 20 30 BCEDRO CC(C)[C@@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000287378786 167382678 /nfs/dbraw/zinc/38/26/78/167382678.db2.gz IBPWKGZVLBTYFY-SECBINFHSA-N 1 0 207.281 0.784 20 30 BCEDRO C=CCCNC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000665946117 487619870 /nfs/dbraw/zinc/61/98/70/487619870.db2.gz SWTPKLFTOIHWTI-UHFFFAOYSA-N 1 0 241.335 0.318 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000661603805 411026024 /nfs/dbraw/zinc/02/60/24/411026024.db2.gz WGOFULBLAURFQK-WDEREUQCSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCS(=O)(=O)NC)C1 ZINC000651781544 411143289 /nfs/dbraw/zinc/14/32/89/411143289.db2.gz NCMJMUXZPLNFPE-GHMZBOCLSA-N 1 0 246.376 0.870 20 30 BCEDRO C=CCCOCC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655510998 411148199 /nfs/dbraw/zinc/14/81/99/411148199.db2.gz XXIGFIIOOXGNCP-SSDOTTSWSA-N 1 0 240.225 0.585 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](O)CN(C)CC ZINC000653635803 411153892 /nfs/dbraw/zinc/15/38/92/411153892.db2.gz DYFWMNUAJGYYBI-LLVKDONJSA-N 1 0 200.326 0.807 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1CCOCC1 ZINC000328032911 411243580 /nfs/dbraw/zinc/24/35/80/411243580.db2.gz VSXNNZGBVPENGC-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CC[N@H+](C)CCn1cnc2ccccc2c1=O ZINC000192229101 411186209 /nfs/dbraw/zinc/18/62/09/411186209.db2.gz ZRJZBLPQUYSPTE-UHFFFAOYSA-N 1 0 241.294 0.962 20 30 BCEDRO C=CCCOCC(=O)N1CCC[NH2+]CC1 ZINC000309622376 411187935 /nfs/dbraw/zinc/18/79/35/411187935.db2.gz HYAPXJMKETVMJQ-UHFFFAOYSA-N 1 0 212.293 0.401 20 30 BCEDRO C#CC[N@@H+](C)C[C@H]1CCCN(S(C)(=O)=O)C1 ZINC000192228321 411208853 /nfs/dbraw/zinc/20/88/53/411208853.db2.gz UTUDTOHYXKPWIM-LLVKDONJSA-N 1 0 244.360 0.223 20 30 BCEDRO C=CCOCC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000309720583 411218832 /nfs/dbraw/zinc/21/88/32/411218832.db2.gz VVWMTSVWOSPXDK-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@H](C[NH3+])C1 ZINC000659612343 411236046 /nfs/dbraw/zinc/23/60/46/411236046.db2.gz XLGKNQVVMMOIBA-SNVBAGLBSA-N 1 0 227.308 0.179 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@H](C)C[NH2+]C ZINC000659638585 411274063 /nfs/dbraw/zinc/27/40/63/411274063.db2.gz HKZMDVHFQHRYBG-SNVBAGLBSA-N 1 0 229.324 0.438 20 30 BCEDRO N#C[C@@H]1COCCN1CC[NH+]1CCCCC1 ZINC000081166512 411275648 /nfs/dbraw/zinc/27/56/48/411275648.db2.gz YOXKFXGVUHGPHR-GFCCVEGCSA-N 1 0 223.320 0.697 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H]2C[C@H](O)C2(C)C)C1=O ZINC000653742257 411295545 /nfs/dbraw/zinc/29/55/45/411295545.db2.gz WJAVPENBLUCQSG-AXFHLTTASA-N 1 0 238.331 0.522 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCNc2cnccn2)C1 ZINC000442781453 411300953 /nfs/dbraw/zinc/30/09/53/411300953.db2.gz IWUWSZPIXUUKBN-GHMZBOCLSA-N 1 0 231.303 1.170 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000124962198 411332325 /nfs/dbraw/zinc/33/23/25/411332325.db2.gz UYLYTLROCCEHJF-ZJUUUORDSA-N 1 0 232.349 0.752 20 30 BCEDRO C=CCCNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000659025623 411368367 /nfs/dbraw/zinc/36/83/67/411368367.db2.gz UFRKTSFGDKEATQ-ZCFIWIBFSA-N 1 0 225.214 0.751 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1CC[NH2+][C@@H]1C ZINC000659358213 411374289 /nfs/dbraw/zinc/37/42/89/411374289.db2.gz GBZMHSBXRIWCKP-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCCCC1 ZINC000662165747 411370377 /nfs/dbraw/zinc/37/03/77/411370377.db2.gz NTTIQUZEKBNZDO-SNVBAGLBSA-N 1 0 212.293 0.135 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NC(CC)CC ZINC000662166303 411370520 /nfs/dbraw/zinc/37/05/20/411370520.db2.gz ZNNPGTYKKOLUEK-MWLCHTKSSA-N 1 0 228.336 0.816 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCCCC ZINC000662167362 411371051 /nfs/dbraw/zinc/37/10/51/411371051.db2.gz BDVGVZFAUJLWNC-SECBINFHSA-N 1 0 200.282 0.039 20 30 BCEDRO C=CCOCCC[NH2+]C[C@@]1(O)CCCOC1 ZINC000656709518 411335799 /nfs/dbraw/zinc/33/57/99/411335799.db2.gz PJOLLAPAUIBBAD-LBPRGKRZSA-N 1 0 229.320 0.710 20 30 BCEDRO C=CCOCCC[NH2+]CC1(O)CCOCC1 ZINC000656709920 411335992 /nfs/dbraw/zinc/33/59/92/411335992.db2.gz SDBLHRXTARHTDM-UHFFFAOYSA-N 1 0 229.320 0.710 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCN(C2CC2)CC1 ZINC000658334417 411342649 /nfs/dbraw/zinc/34/26/49/411342649.db2.gz INMIHIUFZKGOHI-SNVBAGLBSA-N 1 0 210.321 0.750 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)C[NH2+]C ZINC000658410945 411378448 /nfs/dbraw/zinc/37/84/48/411378448.db2.gz MKSRURYHVHIGOM-MRVPVSSYSA-N 1 0 206.311 0.090 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H](C)[C@@H]1CC[NH3+] ZINC000404313309 411390916 /nfs/dbraw/zinc/39/09/16/411390916.db2.gz XZQGAAHGXCXFFE-NEPJUHHUSA-N 1 0 239.363 0.738 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CCC[C@](O)(CO)C1 ZINC000656864875 411387158 /nfs/dbraw/zinc/38/71/58/411387158.db2.gz VZEDDBYPQXFMEM-VXGBXAGGSA-N 1 0 211.305 0.608 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@@H]2CCOC2)nn1 ZINC000657309465 411459037 /nfs/dbraw/zinc/45/90/37/411459037.db2.gz NVKZAZWEEMXZHZ-NSHDSACASA-N 1 0 236.319 0.980 20 30 BCEDRO CC#CCC[NH2+]C[C@@H](O)C[NH+]1CCCC1 ZINC000125686865 411395542 /nfs/dbraw/zinc/39/55/42/411395542.db2.gz YGDXYXQHDGLKGV-GFCCVEGCSA-N 1 0 210.321 0.446 20 30 BCEDRO C=CCCNC(=O)c1cn(C[C@@H]2CCC[NH2+]2)nn1 ZINC000659336724 411397791 /nfs/dbraw/zinc/39/77/91/411397791.db2.gz BXWGGWJJHWSBTA-JTQLQIEISA-N 1 0 249.318 0.336 20 30 BCEDRO C=CCN(C(=O)C[NH2+]C1CC1)[C@H](C)COC ZINC000659338917 411398536 /nfs/dbraw/zinc/39/85/36/411398536.db2.gz BXLTVKZCSLDSJH-SNVBAGLBSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000621814301 411399367 /nfs/dbraw/zinc/39/93/67/411399367.db2.gz ITEIPDMQROGPOI-WCQYABFASA-N 1 0 240.347 0.912 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000621814302 411399507 /nfs/dbraw/zinc/39/95/07/411399507.db2.gz ITEIPDMQROGPOI-YPMHNXCESA-N 1 0 240.347 0.912 20 30 BCEDRO C=CCOCCCNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000659359755 411401956 /nfs/dbraw/zinc/40/19/56/411401956.db2.gz XOIIHPHFIYRPAQ-LBPRGKRZSA-N 1 0 226.320 0.695 20 30 BCEDRO C=CCOCCCNC(=O)[C@H](C)C[NH3+] ZINC000659359212 411402155 /nfs/dbraw/zinc/40/21/55/411402155.db2.gz QGKMOWRIXDIQJL-SECBINFHSA-N 1 0 200.282 0.290 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1C[C@@]12CCC[NH2+]C2 ZINC000659384397 411409412 /nfs/dbraw/zinc/40/94/12/411409412.db2.gz XPTDXQBNPXLVON-DGCLKSJQSA-N 1 0 238.331 0.695 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000659389217 411410614 /nfs/dbraw/zinc/41/06/14/411410614.db2.gz LWRUSWYFAXAQQQ-NXEZZACHSA-N 1 0 230.283 0.477 20 30 BCEDRO C=CCN(C(=O)NCC[NH3+])[C@H](C)COC ZINC000659507241 411423841 /nfs/dbraw/zinc/42/38/41/411423841.db2.gz GZLUNBQGWAEFTC-SECBINFHSA-N 1 0 215.297 0.178 20 30 BCEDRO C=CCN(C(=O)NCC[NH2+]CC)[C@@H](C)COC ZINC000659515818 411426111 /nfs/dbraw/zinc/42/61/11/411426111.db2.gz YNGSVKHLNJZZHC-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO C=CCN(C(=O)NC[C@@H](C)[NH3+])[C@H](C)COC ZINC000659538795 411432287 /nfs/dbraw/zinc/43/22/87/411432287.db2.gz PMXLVSYPKIMITM-NXEZZACHSA-N 1 0 229.324 0.566 20 30 BCEDRO C=CCCNC(=O)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000659562081 411436124 /nfs/dbraw/zinc/43/61/24/411436124.db2.gz FSOJALPFCHGOCR-UWVGGRQHSA-N 1 0 211.309 0.941 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@@H](O)CN(C)CCOC ZINC000653609422 411438305 /nfs/dbraw/zinc/43/83/05/411438305.db2.gz MJGUIZXTGFPDJJ-LBPRGKRZSA-N 1 0 230.352 0.433 20 30 BCEDRO C=CCOCCCNC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000659596807 411439732 /nfs/dbraw/zinc/43/97/32/411439732.db2.gz LJCKEJJATUJLJV-NSHDSACASA-N 1 0 241.335 0.569 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H](C)[C@H](C)CO)nn1 ZINC000653615289 411440976 /nfs/dbraw/zinc/44/09/76/411440976.db2.gz ATXLCKWLIUCDDB-GHMZBOCLSA-N 1 0 238.335 0.961 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)N[C@@H](C)C[NH2+]C ZINC000659638111 411445417 /nfs/dbraw/zinc/44/54/17/411445417.db2.gz REQRPYUSBGYIQM-VHSXEESVSA-N 1 0 229.324 0.078 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418401331 411449665 /nfs/dbraw/zinc/44/96/65/411449665.db2.gz HWJUBSOCJRCENZ-GHMZBOCLSA-N 1 0 243.351 0.596 20 30 BCEDRO C=CCCn1cc(CNC[C@@H](C)[NH+](C)C)nn1 ZINC000657347917 411475251 /nfs/dbraw/zinc/47/52/51/411475251.db2.gz HOLYZYFCHJDNHA-LLVKDONJSA-N 1 0 237.351 0.894 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@@H](O)C2CC2)nn1 ZINC000657369334 411480574 /nfs/dbraw/zinc/48/05/74/411480574.db2.gz ZAJBICQQGRUGCS-GFCCVEGCSA-N 1 0 236.319 0.715 20 30 BCEDRO C=CCCn1cc(C[NH2+]CC[C@H](C)O)nn1 ZINC000657362106 411480682 /nfs/dbraw/zinc/48/06/82/411480682.db2.gz OUISMNVNMYYAAD-JTQLQIEISA-N 1 0 224.308 0.715 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1nc(C)c[nH]1 ZINC000657426355 411505035 /nfs/dbraw/zinc/50/50/35/411505035.db2.gz BPCZSLOPWMBWEG-JTQLQIEISA-N 1 0 209.293 0.992 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cnc2n1CCC2 ZINC000657434773 411506633 /nfs/dbraw/zinc/50/66/33/411506633.db2.gz HNUCEVGZIVBJQS-SNVBAGLBSA-N 1 0 221.304 0.856 20 30 BCEDRO C=CCOCCCNC(=O)NC/C=C\C[NH3+] ZINC000659543026 411510527 /nfs/dbraw/zinc/51/05/27/411510527.db2.gz DOEFIZIOXJFNOM-ARJAWSKDSA-N 1 0 227.308 0.393 20 30 BCEDRO C=CCN(C(=O)NC/C=C\C[NH3+])[C@@H](C)COC ZINC000659544666 411512889 /nfs/dbraw/zinc/51/28/89/411512889.db2.gz VWAGDHBHJRSEGL-GZTOBOFZSA-N 1 0 241.335 0.734 20 30 BCEDRO C=CCOCCNC(=O)NC/C=C\C[NH3+] ZINC000659544497 411513095 /nfs/dbraw/zinc/51/30/95/411513095.db2.gz SIXQKPPSWRMZPV-ARJAWSKDSA-N 1 0 213.281 0.003 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@H](C)CO)nn1 ZINC000657327649 411465926 /nfs/dbraw/zinc/46/59/26/411465926.db2.gz LWLMAEGOJSSPGD-JTQLQIEISA-N 1 0 224.308 0.572 20 30 BCEDRO C=CCOCCC[NH2+]Cc1cnnn1C ZINC000657657980 411571892 /nfs/dbraw/zinc/57/18/92/411571892.db2.gz GZOCQJAVJCOYPL-UHFFFAOYSA-N 1 0 210.281 0.497 20 30 BCEDRO C=CCNC(=O)C[N@H+](C1CC1)C1(CO)CCC1 ZINC000660775111 411626354 /nfs/dbraw/zinc/62/63/54/411626354.db2.gz YJCGGMCJLNYSHP-UHFFFAOYSA-N 1 0 238.331 0.668 20 30 BCEDRO C=CCC[NH+]1CCN(Cc2nnc[nH]2)CC1 ZINC000660464760 411589694 /nfs/dbraw/zinc/58/96/94/411589694.db2.gz SYTQKOSRLIFPQS-UHFFFAOYSA-N 1 0 221.308 0.498 20 30 BCEDRO C=CCCNC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000660640448 411610924 /nfs/dbraw/zinc/61/09/24/411610924.db2.gz XDXULIIDGOMEMK-LLVKDONJSA-N 1 0 240.351 0.108 20 30 BCEDRO COCC#CC[NH2+]C1(CCO)CCCC1 ZINC000660682977 411617320 /nfs/dbraw/zinc/61/73/20/411617320.db2.gz XSKPHCMAFPYOKH-UHFFFAOYSA-N 1 0 211.305 0.921 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](COC)OC ZINC000660740295 411620227 /nfs/dbraw/zinc/62/02/27/411620227.db2.gz OLNGEZCXZHTTNR-TUAOUCFPSA-N 1 0 229.320 0.971 20 30 BCEDRO CC#CC[N@H+](CCOCCO)C1CCC1 ZINC000661098873 411707340 /nfs/dbraw/zinc/70/73/40/411707340.db2.gz HMBIWABHDJYJCO-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO Cc1cc2c(cc1C#N)[nH]nc2NC(=O)[C@H](C)[NH3+] ZINC000593916712 411663965 /nfs/dbraw/zinc/66/39/65/411663965.db2.gz PJHJNWDPURVNLC-ZETCQYMHSA-N 1 0 243.270 1.029 20 30 BCEDRO Cc1ccc(NCC(C)(C)[NH3+])nc1C#N ZINC000420207817 411687786 /nfs/dbraw/zinc/68/77/86/411687786.db2.gz XSWSUFADAWDACL-UHFFFAOYSA-N 1 0 204.277 1.411 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H]2CC[C@H](O)C[C@@H]2C1 ZINC000661203932 411732913 /nfs/dbraw/zinc/73/29/13/411732913.db2.gz ZUNPHEUNZOAWFG-XQQFMLRXSA-N 1 0 223.316 0.729 20 30 BCEDRO C=CC[N@@H+](CCOCCO)[C@H](C)COC ZINC000661238898 411739035 /nfs/dbraw/zinc/73/90/35/411739035.db2.gz HFAYLJVHJCCSAU-LLVKDONJSA-N 1 0 217.309 0.518 20 30 BCEDRO C=CCN(C[C@@H](O)C[N@@H+](C)CC)[C@@H](C)COC ZINC000661239770 411739480 /nfs/dbraw/zinc/73/94/80/411739480.db2.gz JBPVWOLAELJWJV-STQMWFEESA-N 1 0 244.379 0.822 20 30 BCEDRO C=CC[N@H+](CC1(CO)COC1)[C@@H](C)COC ZINC000661244194 411743657 /nfs/dbraw/zinc/74/36/57/411743657.db2.gz REOQVRYZNAECMA-NSHDSACASA-N 1 0 229.320 0.518 20 30 BCEDRO Cc1nc(N[C@@H](CO)C[NH+](C)C)ccc1C#N ZINC000596243014 411750113 /nfs/dbraw/zinc/75/01/13/411750113.db2.gz JAEOBZLZMLVYNK-LLVKDONJSA-N 1 0 234.303 0.596 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](C)CO ZINC000661433603 411773261 /nfs/dbraw/zinc/77/32/61/411773261.db2.gz LOQQNRCZDMCLGM-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCCNC(=O)NCCNc1cc[nH+]cc1 ZINC000665946197 487620681 /nfs/dbraw/zinc/62/06/81/487620681.db2.gz VAICGGDOYDBFJZ-UHFFFAOYSA-N 1 0 234.303 0.791 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000661599837 411812727 /nfs/dbraw/zinc/81/27/27/411812727.db2.gz FNUCMJGOIAJIEP-VXGBXAGGSA-N 1 0 236.315 0.237 20 30 BCEDRO C[C@@H](CC[NH+](C)C)Nc1ccc(C#N)c(N)n1 ZINC000583822931 411816005 /nfs/dbraw/zinc/81/60/05/411816005.db2.gz CJHPMOADZFUMGU-VIFPVBQESA-N 1 0 233.319 1.288 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+]1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000661621278 411820148 /nfs/dbraw/zinc/82/01/48/411820148.db2.gz CBVDHJYCDXMNRV-KXNHARMFSA-N 1 0 240.347 0.626 20 30 BCEDRO C=C(C)CC[N@@H+]1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661680327 411835204 /nfs/dbraw/zinc/83/52/04/411835204.db2.gz DQONLVVQMFNMHV-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=C(CC)CN1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661682155 411836163 /nfs/dbraw/zinc/83/61/63/411836163.db2.gz KWPMTXLRBPSCSK-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H]2COC[C@@]2(C)C1 ZINC000661701587 411846977 /nfs/dbraw/zinc/84/69/77/411846977.db2.gz QZEGDZIEORWDQZ-VXGBXAGGSA-N 1 0 209.289 0.605 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000661702477 411848535 /nfs/dbraw/zinc/84/85/35/411848535.db2.gz PZJJFAUTIREODI-PWSUYJOCSA-N 1 0 224.304 0.257 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCc2cnc(N)nc2C1 ZINC000623293877 411849084 /nfs/dbraw/zinc/84/90/84/411849084.db2.gz JWFGVZAPRWPNHY-LLVKDONJSA-N 1 0 248.330 0.744 20 30 BCEDRO CC#CC[NH+]1CCC(c2nnc(N)o2)CC1 ZINC000639739317 411851225 /nfs/dbraw/zinc/85/12/25/411851225.db2.gz MVRJAMPXTZNOIY-UHFFFAOYSA-N 1 0 220.276 0.855 20 30 BCEDRO N#Cc1nc(N)n(CC[C@H]2CC[NH2+]C2)c1C#N ZINC000566182104 411975133 /nfs/dbraw/zinc/97/51/33/411975133.db2.gz AESPUEJRQRMJDA-MRVPVSSYSA-N 1 0 230.275 0.208 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2Cc1nc(=O)n(C)[nH]1 ZINC000662090070 411984768 /nfs/dbraw/zinc/98/47/68/411984768.db2.gz HTAPXZXVWCNQMI-AOOOYVTPSA-N 1 0 234.303 0.791 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCN(C(C)C)C1=O ZINC000662166739 411999470 /nfs/dbraw/zinc/99/94/70/411999470.db2.gz FOJBKJGWRHVTFJ-ZJUUUORDSA-N 1 0 212.293 0.132 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)[C@](C)(CO)C1 ZINC000662147970 412008841 /nfs/dbraw/zinc/00/88/41/412008841.db2.gz XNAKDNTVUNUXPT-SRVKXCTJSA-N 1 0 213.321 0.874 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NCCCCC ZINC000662166070 412014626 /nfs/dbraw/zinc/01/46/26/412014626.db2.gz RLUPPHHTVUIQEI-GHMZBOCLSA-N 1 0 228.336 0.818 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NC(C)(C)C ZINC000662166234 412014660 /nfs/dbraw/zinc/01/46/60/412014660.db2.gz WCJNURZEBIAGCC-MRVPVSSYSA-N 1 0 200.282 0.038 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCc1cccc(C)c1 ZINC000662166046 412014759 /nfs/dbraw/zinc/01/47/59/412014759.db2.gz YVZNYZTWNCSNOB-CYBMUJFWSA-N 1 0 248.326 0.748 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(C)Cc1ccccc1 ZINC000662163775 412014960 /nfs/dbraw/zinc/01/49/60/412014960.db2.gz JQOZQGSHBFVOFL-CYBMUJFWSA-N 1 0 248.326 0.782 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1c(C)nn(C)c1C ZINC000662165700 412015139 /nfs/dbraw/zinc/01/51/39/412015139.db2.gz MWGPITBBHZRGBC-SNVBAGLBSA-N 1 0 209.293 0.673 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NCC(C)C ZINC000662166162 412015259 /nfs/dbraw/zinc/01/52/59/412015259.db2.gz UDAZJGZROISZBU-VHSXEESVSA-N 1 0 214.309 0.284 20 30 BCEDRO C=C[C@H](CO)NCC(=O)Nc1nccs1 ZINC000662168232 412016096 /nfs/dbraw/zinc/01/60/96/412016096.db2.gz ZJYLJRQKISHQSR-SSDOTTSWSA-N 1 0 227.289 0.218 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(C)C1CCCCC1 ZINC000662167944 412016274 /nfs/dbraw/zinc/01/62/74/412016274.db2.gz UEEDWQCXSKRKLU-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N1CCC(C)CC1 ZINC000662167987 412016310 /nfs/dbraw/zinc/01/63/10/412016310.db2.gz WTGPSTAZGAMWSZ-NWDGAFQWSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N(C)c1ccccc1 ZINC000662167705 412016781 /nfs/dbraw/zinc/01/67/81/412016781.db2.gz MGZMSTPZZCRMHZ-LLVKDONJSA-N 1 0 234.299 0.786 20 30 BCEDRO C=C[C@H](CO)N[C@H](C)c1nc(C)cc(=O)[nH]1 ZINC000662168386 412016848 /nfs/dbraw/zinc/01/68/48/412016848.db2.gz DHXJJEXDCIAPCR-RKDXNWHRSA-N 1 0 223.276 0.688 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)Cc1ccc(F)cc1 ZINC000662168766 412017887 /nfs/dbraw/zinc/01/78/87/412017887.db2.gz UBNNQFOUESTDRT-CHWSQXEVSA-N 1 0 239.290 0.866 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000662038970 411956062 /nfs/dbraw/zinc/95/60/62/411956062.db2.gz OIKMXWFVYRGCNB-SRVKXCTJSA-N 1 0 238.331 0.645 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCN(CC)CC1 ZINC000665066515 412079096 /nfs/dbraw/zinc/07/90/96/412079096.db2.gz AEYHWPHWSGQSLP-LLVKDONJSA-N 1 0 212.293 0.088 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000665092780 412089947 /nfs/dbraw/zinc/08/99/47/412089947.db2.gz UKHCBQSTFGSZFV-NSHDSACASA-N 1 0 224.304 0.046 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC2CC1(C[NH3+])C2 ZINC000662307864 412092925 /nfs/dbraw/zinc/09/29/25/412092925.db2.gz RWXFRKVMTFMJGP-BMQDGWLCSA-N 1 0 223.320 0.100 20 30 BCEDRO C=CCNC(=O)c1cnnn1C1CC[NH2+]CC1 ZINC000662348573 412118465 /nfs/dbraw/zinc/11/84/65/412118465.db2.gz FREBMZJSIFHHGN-UHFFFAOYSA-N 1 0 235.291 0.118 20 30 BCEDRO C=CCNC(=O)c1ccc(NCC[NH2+]C)nc1 ZINC000420151163 412128623 /nfs/dbraw/zinc/12/86/23/412128623.db2.gz BBNLVXBURTVTJO-UHFFFAOYSA-N 1 0 234.303 0.629 20 30 BCEDRO C=CCNC(=O)c1ccc(NCC[C@@H](C)[NH3+])nc1 ZINC000420156751 412128992 /nfs/dbraw/zinc/12/89/92/412128992.db2.gz NTUISNDOIDDQSK-SNVBAGLBSA-N 1 0 248.330 1.147 20 30 BCEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1Nc1cc(C#N)cnn1 ZINC000596161303 412131707 /nfs/dbraw/zinc/13/17/07/412131707.db2.gz HCAMIULDWTWOQY-SKDRFNHKSA-N 1 0 243.314 1.243 20 30 BCEDRO C=CC[C@@]1(C(=O)N[C@@H](C)COC)CCC[NH2+]1 ZINC000662437807 412175306 /nfs/dbraw/zinc/17/53/06/412175306.db2.gz VEQOMTWOZYEIKV-JQWIXIFHSA-N 1 0 226.320 0.836 20 30 BCEDRO C=CC[C@@]1(C(=O)NC2CCOCC2)CCC[NH2+]1 ZINC000662490726 412194479 /nfs/dbraw/zinc/19/44/79/412194479.db2.gz SNIWMKSNOYYAIL-ZDUSSCGKSA-N 1 0 238.331 0.980 20 30 BCEDRO C=CC[C@]1(C(=O)NCCCC(N)=O)CCC[NH2+]1 ZINC000662504771 412198079 /nfs/dbraw/zinc/19/80/79/412198079.db2.gz BPFYFEHQRNOHAB-GFCCVEGCSA-N 1 0 239.319 0.066 20 30 BCEDRO C[C@H](CCNc1ccc(C#N)c(N)n1)[NH+](C)C ZINC000596430836 412199154 /nfs/dbraw/zinc/19/91/54/412199154.db2.gz KZDUVNDJTDLLKD-SECBINFHSA-N 1 0 233.319 1.288 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](CC)[NH2+]C ZINC000662522516 412203447 /nfs/dbraw/zinc/20/34/47/412203447.db2.gz UGRCGBQDTGYTJN-DCAQKATOSA-N 1 0 226.320 0.692 20 30 BCEDRO C=CCN(C)C(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662525007 412203587 /nfs/dbraw/zinc/20/35/87/412203587.db2.gz OIGXHKCBXDHCPO-SECBINFHSA-N 1 0 234.303 0.745 20 30 BCEDRO C=CC[C@@]1(C(=O)NCc2cn[nH]n2)CCC[NH2+]1 ZINC000662541949 412210385 /nfs/dbraw/zinc/21/03/85/412210385.db2.gz KRBSROZOYGFSFU-NSHDSACASA-N 1 0 235.291 0.119 20 30 BCEDRO C[NH+](C)C(C)(C)CNc1ccc(C#N)c(N)n1 ZINC000584665110 412152670 /nfs/dbraw/zinc/15/26/70/412152670.db2.gz ABMWLENDCZQSCD-UHFFFAOYSA-N 1 0 233.319 1.288 20 30 BCEDRO C[C@@H]1[C@H](C(=O)Nc2n[nH]cc2C#N)CC[N@@H+]1C ZINC000601636610 412167730 /nfs/dbraw/zinc/16/77/30/412167730.db2.gz MQBKZXDSUBKJDD-VXNVDRBHSA-N 1 0 233.275 0.560 20 30 BCEDRO C=CC[C@@]1(C(=O)NC[C@@H]2CCCO2)CCC[NH2+]1 ZINC000662432302 412169517 /nfs/dbraw/zinc/16/95/17/412169517.db2.gz PBHZMGYNEVPVJN-AAEUAGOBSA-N 1 0 238.331 0.980 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)cn1 ZINC000389727791 412260585 /nfs/dbraw/zinc/26/05/85/412260585.db2.gz MRFRTXLAYAPSDI-GXSJLCMTSA-N 1 0 216.288 1.363 20 30 BCEDRO C=CCOCCCNC(=O)C[C@@H](C)[NH3+] ZINC000662662634 412261888 /nfs/dbraw/zinc/26/18/88/412261888.db2.gz AHEXJIPGLJZUMD-SECBINFHSA-N 1 0 200.282 0.433 20 30 BCEDRO N#Cc1ccc(N[C@H]2CC[N@@H+](C3CC3)C2)nc1N ZINC000596092975 412273593 /nfs/dbraw/zinc/27/35/93/412273593.db2.gz YQAJNXJARNGIOL-JTQLQIEISA-N 1 0 243.314 1.184 20 30 BCEDRO N#Cc1cnnc(NC[C@@H]2CSCC[NH2+]2)c1 ZINC000603419662 412279707 /nfs/dbraw/zinc/27/97/07/412279707.db2.gz PCFFWSACWQLLFK-SECBINFHSA-N 1 0 235.316 0.465 20 30 BCEDRO N#Cc1nc(N[C@@H]2CC[NH2+]C2)ccc1Cl ZINC000591425996 412280488 /nfs/dbraw/zinc/28/04/88/412280488.db2.gz ZZRHWEJHYBJIIJ-SSDOTTSWSA-N 1 0 222.679 1.380 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000594468494 412251170 /nfs/dbraw/zinc/25/11/70/412251170.db2.gz NECASCCHDKSQOK-SKDRFNHKSA-N 1 0 245.286 0.610 20 30 BCEDRO C[N@@H+]1CCC[C@H](CCNc2ccc(C#N)nn2)C1 ZINC000591179089 412252972 /nfs/dbraw/zinc/25/29/72/412252972.db2.gz CUMPHYJJGDMPMM-LLVKDONJSA-N 1 0 245.330 1.492 20 30 BCEDRO CNc1ccc(NC(=O)[C@H]([NH3+])CCCC#N)cn1 ZINC000424178655 412313051 /nfs/dbraw/zinc/31/30/51/412313051.db2.gz RREFNKQICBNURG-SNVBAGLBSA-N 1 0 247.302 1.083 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@H](CO)C(C)C)CCC[NH2+]1 ZINC000662833922 412315337 /nfs/dbraw/zinc/31/53/37/412315337.db2.gz WSJADCFQELNREM-DGCLKSJQSA-N 1 0 240.347 0.818 20 30 BCEDRO C=CCN(C(=O)C[C@@H](C[NH3+])OC)[C@@H](C)COC ZINC000662855881 412325587 /nfs/dbraw/zinc/32/55/87/412325587.db2.gz WKTFFIIZXIKLNH-QWRGUYRKSA-N 1 0 244.335 0.400 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1CCCC[NH2+]1 ZINC000662872606 412330629 /nfs/dbraw/zinc/33/06/29/412330629.db2.gz GZKCELWPBFIRDX-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1C[C@@H]([NH3+])C1 ZINC000662872358 412330940 /nfs/dbraw/zinc/33/09/40/412330940.db2.gz DGSCPSWIYBXFGA-AOOOYVTPSA-N 1 0 212.293 0.433 20 30 BCEDRO C=CCC1(NC(=O)[C@@H]([NH3+])COC)CCOCC1 ZINC000662874406 412332265 /nfs/dbraw/zinc/33/22/65/412332265.db2.gz NLBSTMVUPCRNTM-JTQLQIEISA-N 1 0 242.319 0.202 20 30 BCEDRO C=CCC1(NC(=O)[C@H]2C[NH2+]CCO2)CCCC1 ZINC000662889045 412336249 /nfs/dbraw/zinc/33/62/49/412336249.db2.gz QTOREXDNDJOCCG-LLVKDONJSA-N 1 0 238.331 0.980 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC1CC[NH+](C)CC1 ZINC000665509474 412339895 /nfs/dbraw/zinc/33/98/95/412339895.db2.gz KKOHSYWURZUJMK-NSHDSACASA-N 1 0 212.293 0.134 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000665529700 412348638 /nfs/dbraw/zinc/34/86/38/412348638.db2.gz RFTHVOBKPDTVRL-PWSUYJOCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC1CC[NH+](CC)CC1 ZINC000665530662 412349861 /nfs/dbraw/zinc/34/98/61/412349861.db2.gz XWJARVPGAPOQRC-GFCCVEGCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@H](C)C[NH2+]C ZINC000662962269 412355600 /nfs/dbraw/zinc/35/56/00/412355600.db2.gz JHOUTTQNXRYNMN-VHSXEESVSA-N 1 0 214.309 0.692 20 30 BCEDRO C=CC[C@]1(C(=O)NCCn2cccn2)CCC[NH2+]1 ZINC000662788772 412302520 /nfs/dbraw/zinc/30/25/20/412302520.db2.gz UJPURTZCNRCHCU-CYBMUJFWSA-N 1 0 248.330 0.698 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000663221494 412394162 /nfs/dbraw/zinc/39/41/62/412394162.db2.gz ORVRKTUBJNYGMF-HTQZYQBOSA-N 1 0 201.245 0.253 20 30 BCEDRO CN(C(=O)Nc1ccc(C#N)cc1)C1C[NH2+]C1 ZINC000090289856 172323119 /nfs/dbraw/zinc/32/31/19/172323119.db2.gz KPWLMDMOGSJZCN-UHFFFAOYSA-N 1 0 230.271 0.994 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1ccnc(C#N)c1 ZINC000227930201 172492446 /nfs/dbraw/zinc/49/24/46/172492446.db2.gz WUMGGHBGPFCSLJ-LBPRGKRZSA-N 1 0 234.303 0.678 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cn(C)nc1CC ZINC000309038697 487625007 /nfs/dbraw/zinc/62/50/07/487625007.db2.gz JSTRMUCIGBKKAE-SNVBAGLBSA-N 1 0 209.293 0.619 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)c2cc(C#N)c[nH]2)CC1 ZINC000177462003 173014457 /nfs/dbraw/zinc/01/44/57/173014457.db2.gz RYNAPKVPVWQQNW-UHFFFAOYSA-N 1 0 232.287 0.664 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)c2ccc(C#N)o2)CC1 ZINC000310294610 173015450 /nfs/dbraw/zinc/01/54/50/173015450.db2.gz ADXVNWHUZPCGQM-UHFFFAOYSA-N 1 0 233.271 0.929 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1c[nH]c(C#N)c1 ZINC000181253046 173031649 /nfs/dbraw/zinc/03/16/49/173031649.db2.gz YUIZIKAQQYZDHQ-LLVKDONJSA-N 1 0 232.287 0.710 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3cnc(C#N)cn3)[C@@H]2C1 ZINC000274783026 173133077 /nfs/dbraw/zinc/13/30/77/173133077.db2.gz WQMRRSDLICELAR-ZYHUDNBSSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)c2cc(C#N)ccn2)C1 ZINC000258953075 173144471 /nfs/dbraw/zinc/14/44/71/173144471.db2.gz KNISSGZPXAZGMD-LLVKDONJSA-N 1 0 244.298 0.635 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000160109023 173145687 /nfs/dbraw/zinc/14/56/87/173145687.db2.gz YDWMSBQNLFKIJN-SECBINFHSA-N 1 0 232.287 0.568 20 30 BCEDRO C[N@@H+]1CC[C@](O)(CNCc2ccc(C#N)o2)C1 ZINC000358150574 173164864 /nfs/dbraw/zinc/16/48/64/173164864.db2.gz AVDMQNURIBMXKE-LBPRGKRZSA-N 1 0 235.287 0.307 20 30 BCEDRO C[N@H+]1C[C@H]2CN(C(=O)c3ccc(C#N)[nH]3)C[C@H]2C1 ZINC000279188584 173198314 /nfs/dbraw/zinc/19/83/14/173198314.db2.gz JRWQFHXSQWXZRJ-AOOOYVTPSA-N 1 0 244.298 0.520 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3cnccc3C#N)C[C@H]2C1 ZINC000278266592 173199570 /nfs/dbraw/zinc/19/95/70/173199570.db2.gz AGDHHHDEDKWKKG-TXEJJXNPSA-N 1 0 228.299 0.951 20 30 BCEDRO CNC(=O)CCC[NH2+]Cc1nc(C#N)cs1 ZINC000336762455 173242641 /nfs/dbraw/zinc/24/26/41/173242641.db2.gz LIYASQJHSYKCLZ-UHFFFAOYSA-N 1 0 238.316 0.631 20 30 BCEDRO CNC(=O)[C@@H]1CCCN(C[C@H](C#N)CCC#N)C1 ZINC000112560529 173297922 /nfs/dbraw/zinc/29/79/22/173297922.db2.gz HUNICUUOUTTZNQ-NWDGAFQWSA-N 1 0 248.330 0.888 20 30 BCEDRO CNC(=O)[C@H]1CCC[N@H+](CCOCCC#N)C1 ZINC000338994736 173306594 /nfs/dbraw/zinc/30/65/94/173306594.db2.gz IGKUQZWMWUBISY-NSHDSACASA-N 1 0 239.319 0.375 20 30 BCEDRO C[NH2+]CCNS(=O)(=O)c1ccc(C#N)cc1 ZINC000054244593 173356723 /nfs/dbraw/zinc/35/67/23/173356723.db2.gz KCNCKAWQUNSOGE-UHFFFAOYSA-N 1 0 239.300 0.056 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1cccc(C#N)n1 ZINC000270067195 174522090 /nfs/dbraw/zinc/52/20/90/174522090.db2.gz QRYWQSZQGCTCQK-NSHDSACASA-N 1 0 220.276 0.729 20 30 BCEDRO COC[C@](C)([NH3+])CNc1ncccc1C#N ZINC000265225759 174615163 /nfs/dbraw/zinc/61/51/63/174615163.db2.gz OIZCSWAJDQGABN-LLVKDONJSA-N 1 0 220.276 0.729 20 30 BCEDRO CO[C@@H](C)[C@@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000309443611 174712526 /nfs/dbraw/zinc/71/25/26/174712526.db2.gz JEDYVTMOGFCGHC-BDAKNGLRSA-N 1 0 223.280 0.163 20 30 BCEDRO C[C@@H](O)C[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000125180172 175981531 /nfs/dbraw/zinc/98/15/31/175981531.db2.gz SRHZVJVXISJWEV-SECBINFHSA-N 1 0 230.271 0.676 20 30 BCEDRO C[C@@H]1COCC[C@H]1[NH2+]CCOCCC#N ZINC000339126994 176344462 /nfs/dbraw/zinc/34/44/62/176344462.db2.gz OZJKIVTXDBEWRX-GHMZBOCLSA-N 1 0 212.293 0.931 20 30 BCEDRO C[C@@H]1C[C@@H](N(C)C(=O)CC#N)CC[N@@H+]1C ZINC000356818104 176370713 /nfs/dbraw/zinc/37/07/13/176370713.db2.gz GMZJRIKKSCCCHE-ZJUUUORDSA-N 1 0 209.293 0.841 20 30 BCEDRO C[C@H](C[S@](C)=O)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189597996 176721540 /nfs/dbraw/zinc/72/15/40/176721540.db2.gz VDDKFCQSCVKBAR-ABKXIKBNSA-N 1 0 239.344 0.753 20 30 BCEDRO C[C@H]1C[N@H+](CCOCCC#N)CC[C@H]1O ZINC000339099376 177252484 /nfs/dbraw/zinc/25/24/84/177252484.db2.gz MZGUHFCHUAHXPS-WDEREUQCSA-N 1 0 212.293 0.619 20 30 BCEDRO C[C@H]1C[NH2+]CCN1C(=O)c1ccc(C#N)cc1 ZINC000054369733 177283946 /nfs/dbraw/zinc/28/39/46/177283946.db2.gz XDAURIRSIKCANO-JTQLQIEISA-N 1 0 229.283 0.992 20 30 BCEDRO C[C@H]1OCC[C@]1(O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000227975517 177409953 /nfs/dbraw/zinc/40/99/53/177409953.db2.gz GVWPRGZMNLXYBB-MFKMUULPSA-N 1 0 249.314 0.526 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)NCC1(CC#N)CC1 ZINC000487590757 225317807 /nfs/dbraw/zinc/31/78/07/225317807.db2.gz XXOHJCSORRQYGZ-MNOVXSKESA-N 1 0 235.331 0.994 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CC[NH+](CC(=C)C)CC1 ZINC000668369906 487657977 /nfs/dbraw/zinc/65/79/77/487657977.db2.gz IBYUYSHRYFRZLA-LBPRGKRZSA-N 1 0 238.331 0.690 20 30 BCEDRO C=C[C@H](C)NC(=O)c1c[nH]nc1[C@@H]1CC[NH2+]C1 ZINC000662611100 487671135 /nfs/dbraw/zinc/67/11/35/487671135.db2.gz HZDAAGXRLOCCNV-DTWKUNHWSA-N 1 0 234.303 0.791 20 30 BCEDRO COCC#CCN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000669692941 487677577 /nfs/dbraw/zinc/67/75/77/487677577.db2.gz KNVLDKXSWLFZKO-STQMWFEESA-N 1 0 240.347 0.023 20 30 BCEDRO C=CCCNC(=O)[C@@]1(COC)CC[NH2+]C1 ZINC000309098979 487699754 /nfs/dbraw/zinc/69/97/54/487699754.db2.gz HYNLUYLTHCIEQC-NSHDSACASA-N 1 0 212.293 0.305 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)[C@H]1CCN(C)C1=O ZINC000671708388 487700716 /nfs/dbraw/zinc/70/07/16/487700716.db2.gz PHSDPAAKEAPYRR-VHSXEESVSA-N 1 0 212.293 0.086 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCC(=O)NC2)C1 ZINC000336733913 487709714 /nfs/dbraw/zinc/70/97/14/487709714.db2.gz MSWCIGOOOOZMSC-BBBLOLIVSA-N 1 0 207.277 0.547 20 30 BCEDRO Cc1cccc(S(=O)(=O)NCC[NH3+])c1C#N ZINC000237671008 267487145 /nfs/dbraw/zinc/48/71/45/267487145.db2.gz SQZBSAZGLQIAJI-UHFFFAOYSA-N 1 0 239.300 0.104 20 30 BCEDRO C[C@@H]1C[C@H](C)C[N@H+]1CC(=O)NCCC#N ZINC000740883343 585107785 /nfs/dbraw/zinc/10/77/85/585107785.db2.gz NQKFJTJYKIOFKR-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H](C)C[NH+]1CCCCC1 ZINC000666318165 487786215 /nfs/dbraw/zinc/78/62/15/487786215.db2.gz WZWMHLJMIWIRKE-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000666318164 487786684 /nfs/dbraw/zinc/78/66/84/487786684.db2.gz WZWMHLJMIWIRKE-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO N#CCCCC[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000091752952 487794454 /nfs/dbraw/zinc/79/44/54/487794454.db2.gz MYVVBVQGTATWJE-SNVBAGLBSA-N 1 0 222.292 0.390 20 30 BCEDRO C#CCCC[N@H+]1CCSC[C@H]1C(N)=O ZINC000773585519 585640817 /nfs/dbraw/zinc/64/08/17/585640817.db2.gz WABWAULSZJZMEM-VIFPVBQESA-N 1 0 212.318 0.303 20 30 BCEDRO C=C(CO)C(=O)N1CC[NH+](C(C)C)CC1 ZINC000791314039 585977017 /nfs/dbraw/zinc/97/70/17/585977017.db2.gz OJYVNKRDLAYUGE-UHFFFAOYSA-N 1 0 212.293 0.088 20 30 BCEDRO C#C[C@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000824291634 587262996 /nfs/dbraw/zinc/26/29/96/587262996.db2.gz ZXQWFYZPDMTNBI-MNOVXSKESA-N 1 0 208.305 0.808 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC1CC[NH2+]CC1 ZINC000841923463 587985393 /nfs/dbraw/zinc/98/53/93/587985393.db2.gz HITGYHCGHKAKBW-VIFPVBQESA-N 1 0 209.293 0.307 20 30 BCEDRO CCO/C=C/C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000493188002 528473939 /nfs/dbraw/zinc/47/39/39/528473939.db2.gz LDMIKNFYMARRJG-RUDMXATFSA-N 1 0 237.303 0.641 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000666607864 487840665 /nfs/dbraw/zinc/84/06/65/487840665.db2.gz DMWNKHJGKZLMQM-MDZLAQPJSA-N 1 0 238.331 0.666 20 30 BCEDRO C#CCOCCN[C@H](C(=O)OC)[C@H](C)CC ZINC000851929419 588644946 /nfs/dbraw/zinc/64/49/46/588644946.db2.gz YWPMYPYUDXLLKL-MNOVXSKESA-N 1 0 227.304 0.814 20 30 BCEDRO C#CCOCC[N@@H+](CCCCO)C1CC1 ZINC000851781817 588628114 /nfs/dbraw/zinc/62/81/14/588628114.db2.gz FTLIBXUNCRBYQY-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCC[N@H+](CCOC)CCO[C@H](C)C#N ZINC000852748471 588697281 /nfs/dbraw/zinc/69/72/81/588697281.db2.gz ACZDBKZBFXKACN-GFCCVEGCSA-N 1 0 224.304 0.887 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)N(C)C ZINC000876689176 590230146 /nfs/dbraw/zinc/23/01/46/590230146.db2.gz UQBRGLSUKKRBCV-HTQZYQBOSA-N 1 0 247.726 0.049 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@](O)(CC)C1 ZINC000879313978 590736183 /nfs/dbraw/zinc/73/61/83/590736183.db2.gz TVIAESHMWINJOR-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO CC(C)[C@@H](CCO)[NH2+]CCO[C@H](C)C#N ZINC000308828879 631676074 /nfs/dbraw/zinc/67/60/74/631676074.db2.gz SLKZOKKIHJXFEF-GHMZBOCLSA-N 1 0 214.309 0.912 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000930649652 639842284 /nfs/dbraw/zinc/84/22/84/639842284.db2.gz GXVUKKDJBCVFGA-MXWKQRLJSA-N 1 0 210.277 0.584 20 30 BCEDRO C=CCOCCNC(=O)C[C@@H]1CC[NH2+]C1 ZINC000379905133 487858520 /nfs/dbraw/zinc/85/85/20/487858520.db2.gz JTENVGVSOGVDNC-JTQLQIEISA-N 1 0 212.293 0.305 20 30 BCEDRO CC#CCC[NH2+]C[C@H](O)COCCOC ZINC000234717632 487867084 /nfs/dbraw/zinc/86/70/84/487867084.db2.gz SXRQAFIIIZYBMA-NSHDSACASA-N 1 0 215.293 0.013 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@@H]1CCC[N@H+]1C(C)C ZINC000935463787 641413298 /nfs/dbraw/zinc/41/32/98/641413298.db2.gz SIKONQYLZSLISY-QWRGUYRKSA-N 1 0 208.305 0.997 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000666756335 487873056 /nfs/dbraw/zinc/87/30/56/487873056.db2.gz QODODQIAUAMOHH-YPMHNXCESA-N 1 0 240.347 0.772 20 30 BCEDRO Cn1ncc(C#N)c1N1CC[C@@H](C[NH+](C)C)C1 ZINC000596190856 487880455 /nfs/dbraw/zinc/88/04/55/487880455.db2.gz ZEDFXANYMAPQEO-JTQLQIEISA-N 1 0 233.319 0.680 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000666809626 487884886 /nfs/dbraw/zinc/88/48/86/487884886.db2.gz MVJLHDJMAIAYEK-PWSUYJOCSA-N 1 0 226.320 0.380 20 30 BCEDRO CC#CCC[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000682036223 487886541 /nfs/dbraw/zinc/88/65/41/487886541.db2.gz LXRARKAVCOMWEE-UHFFFAOYSA-N 1 0 224.348 0.788 20 30 BCEDRO COCC#CC[N@H+]1CC[C@H](OCCOC)C1 ZINC000682039536 487887720 /nfs/dbraw/zinc/88/77/20/487887720.db2.gz WZRDUMWDQFERQN-LBPRGKRZSA-N 1 0 227.304 0.374 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1cn(C2CC[NH2+]CC2)nn1 ZINC000157008785 487888684 /nfs/dbraw/zinc/88/86/84/487888684.db2.gz MGTRHYSFCXBQQE-SECBINFHSA-N 1 0 249.318 0.507 20 30 BCEDRO C=CCNC(=O)[C@@H]([NH3+])c1cccc(OC)c1 ZINC000083350448 487906257 /nfs/dbraw/zinc/90/62/57/487906257.db2.gz SBBZIUSIGWUQSS-NSHDSACASA-N 1 0 220.272 0.997 20 30 BCEDRO O=C(NO)c1cnn(CC[NH+]2CCCCC2)c1 ZINC000671995381 487919359 /nfs/dbraw/zinc/91/93/59/487919359.db2.gz GGXGEFFKZCWRCQ-UHFFFAOYSA-N 1 0 238.291 0.488 20 30 BCEDRO N#Cc1cnn2cc(C[NH2+][C@H]3C[C@@H](O)C3)cnc12 ZINC000564656675 322970321 /nfs/dbraw/zinc/97/03/21/322970321.db2.gz MOENKVPEDPKTMM-PHIMTYICSA-N 1 0 243.270 0.214 20 30 BCEDRO C[C@H]1C[C@H](Nc2ccnc(C#N)n2)C[N@@H+]1C1CC1 ZINC000566483804 323001485 /nfs/dbraw/zinc/00/14/85/323001485.db2.gz WWHPZAGJTMIADW-UWVGGRQHSA-N 1 0 243.314 0.807 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OC)C1 ZINC000246128181 323008412 /nfs/dbraw/zinc/00/84/12/323008412.db2.gz OLWVJAIRKLOUBB-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](CC)C1 ZINC000246220466 323008478 /nfs/dbraw/zinc/00/84/78/323008478.db2.gz LIHAJKNHTOTHJB-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@@H](COC)C1 ZINC000246600314 323009650 /nfs/dbraw/zinc/00/96/50/323009650.db2.gz AOKLRVRLOZFPMK-NWDGAFQWSA-N 1 0 238.331 0.483 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(CCC#N)CC1CC1 ZINC000562442563 323020045 /nfs/dbraw/zinc/02/00/45/323020045.db2.gz UBZQEJKUSPEJJC-ZDUSSCGKSA-N 1 0 239.363 0.925 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000569808568 323041049 /nfs/dbraw/zinc/04/10/49/323041049.db2.gz WJZQVRRBPHDZMV-DCAQKATOSA-N 1 0 243.351 0.596 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000569866042 323043178 /nfs/dbraw/zinc/04/31/78/323043178.db2.gz ZXPPWELLPYUIIM-QWRGUYRKSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@@H]1C[C@H](C)[N@H+]1C[C@@H](O)CN(C)CCC#N ZINC000570781767 323069977 /nfs/dbraw/zinc/06/99/77/323069977.db2.gz HSGKUNGKCHUXGC-TUAOUCFPSA-N 1 0 225.336 0.675 20 30 BCEDRO C[C@@H]1C[C@H](C)[N@H+]1C[C@H](O)CN(C)CCC#N ZINC000570781765 323070067 /nfs/dbraw/zinc/07/00/67/323070067.db2.gz HSGKUNGKCHUXGC-GRYCIOLGSA-N 1 0 225.336 0.675 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCCC(=O)NC(N)=O ZINC000570814708 323071406 /nfs/dbraw/zinc/07/14/06/323071406.db2.gz SOKJAPPZFJAQQA-MRVPVSSYSA-N 1 0 226.280 0.243 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000570843980 323072192 /nfs/dbraw/zinc/07/21/92/323072192.db2.gz WIFYMVLTSMKSNG-ZJUUUORDSA-N 1 0 241.335 0.311 20 30 BCEDRO CC(C)OC[C@H](O)C[NH2+]CCCC#N ZINC000563012910 323079926 /nfs/dbraw/zinc/07/99/26/323079926.db2.gz CYVNIPSBMCOKOF-SNVBAGLBSA-N 1 0 200.282 0.666 20 30 BCEDRO CCc1nn(CCC[NH2+]C)c(=O)c(C#N)c1CC ZINC000563078753 323087447 /nfs/dbraw/zinc/08/74/47/323087447.db2.gz HVVIGINQQJKHCM-UHFFFAOYSA-N 1 0 248.330 0.849 20 30 BCEDRO COc1ccc(C#N)cc1Cn1nnnc1C[NH3+] ZINC000563081672 323088666 /nfs/dbraw/zinc/08/86/66/323088666.db2.gz RGEMCWXATFQVEX-UHFFFAOYSA-N 1 0 244.258 0.060 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)Cn1cccn1 ZINC000571057614 323106170 /nfs/dbraw/zinc/10/61/70/323106170.db2.gz YWEAPVGCRWNPIM-WDEREUQCSA-N 1 0 222.292 0.526 20 30 BCEDRO C=CCCS(=O)(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000531684691 323111054 /nfs/dbraw/zinc/11/10/54/323111054.db2.gz MDHUEAIPDKYMAQ-NSHDSACASA-N 1 0 246.376 0.824 20 30 BCEDRO C=C1CCN(C(=O)c2cn(CCC[NH3+])nn2)CC1 ZINC000563336156 323119021 /nfs/dbraw/zinc/11/90/21/323119021.db2.gz JKQBUAFCGPJTHX-UHFFFAOYSA-N 1 0 249.318 0.419 20 30 BCEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N(C)CC[NH3+] ZINC000563337567 323119198 /nfs/dbraw/zinc/11/91/98/323119198.db2.gz AZRRMDVVDIHNOX-SNVBAGLBSA-N 1 0 247.298 0.743 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(c2ccnc(C#N)n2)C1 ZINC000310127419 323128331 /nfs/dbraw/zinc/12/83/31/323128331.db2.gz GLMOKBZGBJXWGJ-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO N#CC1(CNC(=O)N2CC[NH+]3CCC2CC3)CC1 ZINC000571312197 323141100 /nfs/dbraw/zinc/14/11/00/323141100.db2.gz IYQMCZYVDXHBGA-UHFFFAOYSA-N 1 0 248.330 0.780 20 30 BCEDRO C=CCCOCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000534577547 323153918 /nfs/dbraw/zinc/15/39/18/323153918.db2.gz UMFZJMXQDPBIJO-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+](CC(C)C)CC1 ZINC000049970661 323164655 /nfs/dbraw/zinc/16/46/55/323164655.db2.gz QNTDHWLQUNUIQM-UHFFFAOYSA-N 1 0 237.347 0.009 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+]C(C)(C)C(=O)N(C)C ZINC000305097331 323167085 /nfs/dbraw/zinc/16/70/85/323167085.db2.gz VKEUUJGVPNFCCE-SNVBAGLBSA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCNC(=O)C[N@H+](CC)C[C@H]1CCCO1 ZINC000051555204 323189735 /nfs/dbraw/zinc/18/97/35/323189735.db2.gz ZYHYATDANCPPNB-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](C(=O)NCC2CC2)C1 ZINC000051908790 323191914 /nfs/dbraw/zinc/19/19/14/323191914.db2.gz GRAZXSYWKZLDJV-GFCCVEGCSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(C)CC1 ZINC000042287171 323245969 /nfs/dbraw/zinc/24/59/69/323245969.db2.gz ZEICGBCYPDTSFV-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)N(C)CC1CC[NH+](C)CC1 ZINC000103505294 323251942 /nfs/dbraw/zinc/25/19/42/323251942.db2.gz ZFHJZWASFGHQDA-UHFFFAOYSA-N 1 0 223.320 0.603 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1ccncc1C#N ZINC000309285735 323340899 /nfs/dbraw/zinc/34/08/99/323340899.db2.gz OPNOAKQGCLCSGL-NSHDSACASA-N 1 0 220.276 0.729 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCN(C(C)=O)CC1 ZINC000677046779 487957843 /nfs/dbraw/zinc/95/78/43/487957843.db2.gz JAWIXLNBCDMRDQ-GFCCVEGCSA-N 1 0 226.320 0.478 20 30 BCEDRO C[C@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000571880078 323496722 /nfs/dbraw/zinc/49/67/22/323496722.db2.gz LPQZAOSDTHJDQM-LMLFDSFASA-N 1 0 221.304 0.793 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(CC(N)=O)CC1 ZINC000677048434 487958895 /nfs/dbraw/zinc/95/88/95/487958895.db2.gz XFMIXNMXPFIQOP-LLVKDONJSA-N 1 0 226.320 0.511 20 30 BCEDRO C[NH2+]CC(=O)N1CCC(CCC#N)CC1 ZINC000572003173 323521928 /nfs/dbraw/zinc/52/19/28/323521928.db2.gz QBABOUDIEQAGJH-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](O)Cn1cccn1 ZINC000572039300 323529074 /nfs/dbraw/zinc/52/90/74/323529074.db2.gz PIOOQRGJCJPBTQ-RYUDHWBXSA-N 1 0 239.319 0.018 20 30 BCEDRO C=CC[N@H+](C)CCn1nc2ccccn2c1=O ZINC000121143038 324002517 /nfs/dbraw/zinc/00/25/17/324002517.db2.gz IUCXIWNBRMRBLL-UHFFFAOYSA-N 1 0 232.287 0.614 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000537120809 324013334 /nfs/dbraw/zinc/01/33/34/324013334.db2.gz KGYLAXFACAAHRO-WDEREUQCSA-N 1 0 226.320 0.239 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)CCSC ZINC000152570116 324187387 /nfs/dbraw/zinc/18/73/87/324187387.db2.gz AIFNCKSOPNMFJZ-SECBINFHSA-N 1 0 214.334 0.419 20 30 BCEDRO C=CCSCCNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000542819359 325052354 /nfs/dbraw/zinc/05/23/54/325052354.db2.gz ODOCXYIWPOBLOA-JTQLQIEISA-N 1 0 228.361 0.974 20 30 BCEDRO CC[NH+]1CCC(NC(=O)NC[C@H](C)C#N)CC1 ZINC000542874972 325059613 /nfs/dbraw/zinc/05/96/13/325059613.db2.gz SFQBORNUVSBYLP-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NC1CC[NH+](C)CC1 ZINC000543806431 325115448 /nfs/dbraw/zinc/11/54/48/325115448.db2.gz CMFVOXGTNFAACP-VIFPVBQESA-N 1 0 224.308 0.539 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CO)C1CCCCC1 ZINC000543837776 325116484 /nfs/dbraw/zinc/11/64/84/325116484.db2.gz AVCHBVYPGMZLNC-LBPRGKRZSA-N 1 0 240.347 0.819 20 30 BCEDRO C=CCNC(=O)C[NH2+]C(C)(C)c1cnn(C)c1 ZINC000545292924 325208444 /nfs/dbraw/zinc/20/84/44/325208444.db2.gz PDTRQFLEMCBFLQ-UHFFFAOYSA-N 1 0 236.319 0.547 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000554965360 325741000 /nfs/dbraw/zinc/74/10/00/325741000.db2.gz JKEGVYHTRXDRAC-YPMHNXCESA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCCCn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000565714290 325947390 /nfs/dbraw/zinc/94/73/90/325947390.db2.gz HKPYMHVWMBPXLL-UHFFFAOYSA-N 1 0 233.315 0.898 20 30 BCEDRO COC[C@@H](C)OC[C@@H](O)C[NH2+]CCCC#N ZINC000565829310 325961511 /nfs/dbraw/zinc/96/15/11/325961511.db2.gz HFOJMSFUOIYNEY-MNOVXSKESA-N 1 0 230.308 0.292 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]C[C@@H](O)COC ZINC000566005631 325980968 /nfs/dbraw/zinc/98/09/68/325980968.db2.gz XDHMQYLSIYAUOO-UTUOFQBUSA-N 1 0 229.320 0.565 20 30 BCEDRO C[C@@H](C[NH2+]CC1(CC#N)CC1)S(C)(=O)=O ZINC000566125713 326000107 /nfs/dbraw/zinc/00/01/07/326000107.db2.gz VKTZXKUCFCYYLB-VIFPVBQESA-N 1 0 230.333 0.703 20 30 BCEDRO C=CCNC(=O)N1CCC([NH2+]CCOC)CC1 ZINC000566298951 326030293 /nfs/dbraw/zinc/03/02/93/326030293.db2.gz LFWDSBKWKOGYCA-UHFFFAOYSA-N 1 0 241.335 0.582 20 30 BCEDRO N#Cc1nccc(N2CC[NH+]3CCC2CC3)n1 ZINC000566481504 326055861 /nfs/dbraw/zinc/05/58/61/326055861.db2.gz DRLCCCMSUIHNPI-UHFFFAOYSA-N 1 0 229.287 0.633 20 30 BCEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1c1ccnc(C#N)n1 ZINC000566485343 326057144 /nfs/dbraw/zinc/05/71/44/326057144.db2.gz GSDUGZCWMNNKEV-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@@H](O)CC[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000566798231 326084412 /nfs/dbraw/zinc/08/44/12/326084412.db2.gz ZZPPUZDRDTVFRY-SECBINFHSA-N 1 0 245.286 0.461 20 30 BCEDRO C[C@@H]1CN(CC[NH2+][C@H]2CC[C@@H](C#N)C2)CCO1 ZINC000567212357 326139248 /nfs/dbraw/zinc/13/92/48/326139248.db2.gz ALUNLMSJDKVADU-UPJWGTAASA-N 1 0 237.347 0.989 20 30 BCEDRO Cn1cncc1CCNC(=O)c1cc(C#N)c[nH]1 ZINC000155608668 326203405 /nfs/dbraw/zinc/20/34/05/326203405.db2.gz LFAICYOZUITCOS-UHFFFAOYSA-N 1 0 243.270 0.592 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CC1(C)C ZINC000567691036 326246005 /nfs/dbraw/zinc/24/60/05/326246005.db2.gz NTGOAJMSMUVJPN-NWDGAFQWSA-N 1 0 239.363 0.828 20 30 BCEDRO COCCOC[C@H](O)C[NH2+]CC1(CC#N)CC1 ZINC000567701379 326247873 /nfs/dbraw/zinc/24/78/73/326247873.db2.gz ATIRPOAHHRMNKF-LLVKDONJSA-N 1 0 242.319 0.294 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCCC#N ZINC000567709949 326249327 /nfs/dbraw/zinc/24/93/27/326249327.db2.gz DOFXXTXWFIGNFZ-NSHDSACASA-N 1 0 224.308 0.086 20 30 BCEDRO C[NH+](C)CCNC(=O)Nc1cccc(C#N)n1 ZINC000567827812 326264851 /nfs/dbraw/zinc/26/48/51/326264851.db2.gz VPWIGNMZYOHCHN-UHFFFAOYSA-N 1 0 233.275 0.636 20 30 BCEDRO C=C(CC)C[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000313487344 326268162 /nfs/dbraw/zinc/26/81/62/326268162.db2.gz XPUJXHAUWOKCGN-GFCCVEGCSA-N 1 0 228.336 0.235 20 30 BCEDRO CC[NH+](CC)CC[C@@H](CO)NC(=O)CC#N ZINC000568106957 326309054 /nfs/dbraw/zinc/30/90/54/326309054.db2.gz YRTHNKQIVDIEPP-JTQLQIEISA-N 1 0 227.308 0.109 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)c1cccc(C#N)c1 ZINC000568153489 326314170 /nfs/dbraw/zinc/31/41/70/326314170.db2.gz IVLPCOAMPPWMTF-SECBINFHSA-N 1 0 217.272 0.883 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]CCC(=O)Nc1cccnc1 ZINC000568391464 326353533 /nfs/dbraw/zinc/35/35/33/326353533.db2.gz AVMPHSQWEKQTFG-LBPRGKRZSA-N 1 0 249.314 0.937 20 30 BCEDRO C=CC[C@H](CO)[NH2+]CCC(=O)Nc1cccnc1 ZINC000568391463 326353481 /nfs/dbraw/zinc/35/34/81/326353481.db2.gz AVMPHSQWEKQTFG-GFCCVEGCSA-N 1 0 249.314 0.937 20 30 BCEDRO C[C@H](CNCCC#N)C[NH+]1CCN(C)CC1 ZINC000568501467 326360047 /nfs/dbraw/zinc/36/00/47/326360047.db2.gz XIWGNKBVJVLINB-GFCCVEGCSA-N 1 0 224.352 0.373 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1C[C@H]1[NH3+] ZINC000568618567 326367762 /nfs/dbraw/zinc/36/77/62/326367762.db2.gz OAEMYZSJBFTEFP-QEYWKRMJSA-N 1 0 210.277 0.041 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCN(C)C1=O ZINC000568839764 326378839 /nfs/dbraw/zinc/37/88/39/326378839.db2.gz JITACCDQQGKRPR-VWYCJHECSA-N 1 0 224.304 0.540 20 30 BCEDRO CN(CCC[NH+](C)C)C(=O)c1cnccc1C#N ZINC000569297148 326399003 /nfs/dbraw/zinc/39/90/03/326399003.db2.gz SNWRUTRUGHYOKJ-UHFFFAOYSA-N 1 0 246.314 0.977 20 30 BCEDRO CC(C)([NH3+])CNC(=O)COc1ccc(C#N)cc1 ZINC000573130084 326431266 /nfs/dbraw/zinc/43/12/66/326431266.db2.gz DYDCVXROOOMEBR-UHFFFAOYSA-N 1 0 247.298 0.791 20 30 BCEDRO C=CCOCCCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000673520606 487973038 /nfs/dbraw/zinc/97/30/38/487973038.db2.gz KRIQQAFULJEMNZ-LLVKDONJSA-N 1 0 244.335 0.008 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000682537504 487981069 /nfs/dbraw/zinc/98/10/69/487981069.db2.gz AKUIICIECKBXSG-WHOHXGKFSA-N 1 0 238.331 0.509 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000667351026 487982949 /nfs/dbraw/zinc/98/29/49/487982949.db2.gz BSMCXRCEKOPOHC-LBPRGKRZSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668599259 487988477 /nfs/dbraw/zinc/98/84/77/487988477.db2.gz RSYDLIAJVXSSMU-MNOVXSKESA-N 1 0 224.304 0.228 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@]2(CC)CCOC2)C1=O ZINC000685004857 487990704 /nfs/dbraw/zinc/99/07/04/487990704.db2.gz OSCIAWYCJCHHGK-WCQYABFASA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCN(C)C(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000655924848 488021349 /nfs/dbraw/zinc/02/13/49/488021349.db2.gz RKCVYGHJTFGONB-ZCFIWIBFSA-N 1 0 225.214 0.703 20 30 BCEDRO C#CC[N@@H+](CCNC(C)=O)C1CCSCC1 ZINC000491068900 488029847 /nfs/dbraw/zinc/02/98/47/488029847.db2.gz SBQCNOQYHNZMIR-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)C[C@@H](C)O ZINC000491678824 488037717 /nfs/dbraw/zinc/03/77/17/488037717.db2.gz VDOCQFYNASQAAM-WDEREUQCSA-N 1 0 226.320 0.123 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCOC(C)(C)[C@H]1C ZINC000491703993 488037433 /nfs/dbraw/zinc/03/74/33/488037433.db2.gz JZPBONRHBNKFNR-LLVKDONJSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[N@@H+](C)CCCC ZINC000668638581 488038894 /nfs/dbraw/zinc/03/88/94/488038894.db2.gz NEBOBRALBLYRDZ-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000669177972 488043203 /nfs/dbraw/zinc/04/32/03/488043203.db2.gz PUEKONMCAINKIF-JQWIXIFHSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000669179282 488045202 /nfs/dbraw/zinc/04/52/02/488045202.db2.gz VUUILRSBAMKOJP-UWVGGRQHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000667561964 488046569 /nfs/dbraw/zinc/04/65/69/488046569.db2.gz NEJGAKRMILMMGD-NSHDSACASA-N 1 0 240.347 0.866 20 30 BCEDRO CC#CCC[N@H+]1CCC[C@](CO)(OC)C1 ZINC000401779354 488066343 /nfs/dbraw/zinc/06/63/43/488066343.db2.gz PECQTNXEDLMPLR-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H]1CC(=O)OC ZINC000611194872 488118583 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/nfs/dbraw/zinc/15/07/48/488150748.db2.gz GYMYPZIXNNCBFP-SNVBAGLBSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])CC(F)F ZINC000379796137 488150762 /nfs/dbraw/zinc/15/07/62/488150762.db2.gz KMBGXHBXJAVQRM-ZETCQYMHSA-N 1 0 222.235 0.288 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000379835538 488153407 /nfs/dbraw/zinc/15/34/07/488153407.db2.gz ZRLLDWOPDZJETM-UWVGGRQHSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCOCCNC(=O)C[C@H]1CC[NH2+]C1 ZINC000379905134 488156082 /nfs/dbraw/zinc/15/60/82/488156082.db2.gz JTENVGVSOGVDNC-SNVBAGLBSA-N 1 0 212.293 0.305 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000677950915 488164898 /nfs/dbraw/zinc/16/48/98/488164898.db2.gz DQCKPLXQNCLJOJ-VXGBXAGGSA-N 1 0 240.347 0.901 20 30 BCEDRO C=C(C)COCC[NH2+][C@@H](C)Cn1cncn1 ZINC000657925594 488182423 /nfs/dbraw/zinc/18/24/23/488182423.db2.gz DWQKPPROCQJZFQ-NSHDSACASA-N 1 0 224.308 0.849 20 30 BCEDRO C=CCOCCNC(=O)N1CC[NH2+][C@H](C)[C@H]1C ZINC000669555298 488216557 /nfs/dbraw/zinc/21/65/57/488216557.db2.gz OXCUYEQOXCMTNU-GHMZBOCLSA-N 1 0 241.335 0.581 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000683868839 488234916 /nfs/dbraw/zinc/23/49/16/488234916.db2.gz JWBICFBOMMLPEV-LBPRGKRZSA-N 1 0 238.331 0.932 20 30 BCEDRO COCC#CCN1CC[N@H+](C)[C@H](C)[C@@H]1C ZINC000678469898 488258120 /nfs/dbraw/zinc/25/81/20/488258120.db2.gz RGSXFEPQLHNWQJ-NEPJUHHUSA-N 1 0 210.321 0.661 20 30 BCEDRO C=C(C)[C@@H](CO)N(C)C[C@H](O)C(F)(F)F ZINC000678725596 488278917 /nfs/dbraw/zinc/27/89/17/488278917.db2.gz KUVFONTVFKWUIN-SFYZADRCSA-N 1 0 227.226 0.778 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1C[C@H](C)O[C@]2(CCOC2)C1 ZINC000684626642 488335368 /nfs/dbraw/zinc/33/53/68/488335368.db2.gz LNGAVTLLTAGNJB-RWMBFGLXSA-N 1 0 241.331 0.803 20 30 BCEDRO COCC#CC[N@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000684628322 488335675 /nfs/dbraw/zinc/33/56/75/488335675.db2.gz JFYRXNWELVFQLM-NWDGAFQWSA-N 1 0 227.304 0.108 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000684761285 488340370 /nfs/dbraw/zinc/34/03/70/488340370.db2.gz PBTRTHRHXLFXCB-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000679585559 488359701 /nfs/dbraw/zinc/35/97/01/488359701.db2.gz ARLBGICXRUULFQ-SNVBAGLBSA-N 1 0 212.293 0.257 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000679585631 488359760 /nfs/dbraw/zinc/35/97/60/488359760.db2.gz DECPXYHGNPPUFI-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CC[N@@H+](CCO)CCOCCOC ZINC000129662517 490159070 /nfs/dbraw/zinc/15/90/70/490159070.db2.gz RFXDHWLJMQLSIG-UHFFFAOYSA-N 1 0 203.282 0.130 20 30 BCEDRO C=CCOCC[NH2+]C1CCN(C(C)=O)CC1 ZINC000303551086 490167811 /nfs/dbraw/zinc/16/78/11/490167811.db2.gz RBIUTYVCRRDDTA-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000611140411 490197883 /nfs/dbraw/zinc/19/78/83/490197883.db2.gz FZIPQBDITRVCOU-NXEZZACHSA-N 1 0 215.293 0.664 20 30 BCEDRO CC#CCC[NH2+]C[C@H](O)CN(C)CCC#N ZINC000572276867 490210126 /nfs/dbraw/zinc/21/01/26/490210126.db2.gz QBPKTVMQSBUOEN-LBPRGKRZSA-N 1 0 223.320 0.196 20 30 BCEDRO C=CCCn1cc(CN(C)[C@H](C)C[NH3+])nn1 ZINC000655938411 490264710 /nfs/dbraw/zinc/26/47/10/490264710.db2.gz VLHPCPXPZXKNPO-SNVBAGLBSA-N 1 0 223.324 0.633 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[N@@H+](C(C)C)CC1 ZINC000668101707 490330388 /nfs/dbraw/zinc/33/03/88/490330388.db2.gz ZKOBNBGLMASNAI-CYBMUJFWSA-N 1 0 240.347 0.866 20 30 BCEDRO C[NH+]=C(NCc1nccn1C)N[C@H]1C[C@H]1C ZINC000083901113 490562551 /nfs/dbraw/zinc/56/25/51/490562551.db2.gz GFFCSVKTABLPTD-BDAKNGLRSA-N 1 0 221.308 0.494 20 30 BCEDRO COCC#CCN1CC[NH+](C2CCC2)CC1 ZINC000677817876 490664570 /nfs/dbraw/zinc/66/45/70/490664570.db2.gz QWAMIFRPSUVWQO-UHFFFAOYSA-N 1 0 222.332 0.806 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000669184042 491092699 /nfs/dbraw/zinc/09/26/99/491092699.db2.gz WEILBSMXASFECH-NHCYSSNCSA-N 1 0 226.320 0.522 20 30 BCEDRO CCN(CC#CCOC)[C@@H](C)CS(C)(=O)=O ZINC000677817354 491138578 /nfs/dbraw/zinc/13/85/78/491138578.db2.gz KJMCPTFSCCAHMJ-NSHDSACASA-N 1 0 247.360 0.391 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000858334275 582459481 /nfs/dbraw/zinc/45/94/81/582459481.db2.gz KWGLERKVYFDCHQ-WYUUTHIRSA-N 1 0 239.315 0.812 20 30 BCEDRO C=CC(C)(C)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000891267074 582646367 /nfs/dbraw/zinc/64/63/67/582646367.db2.gz MODMBSILPGNLDG-NSHDSACASA-N 1 0 238.331 0.788 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891683082 582710088 /nfs/dbraw/zinc/71/00/88/582710088.db2.gz QHOROMCHMMZXPO-XYPYZODXSA-N 1 0 241.335 0.616 20 30 BCEDRO C#CCCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891847931 582729938 /nfs/dbraw/zinc/72/99/38/582729938.db2.gz HDESEXLFYZCUTO-SNVBAGLBSA-N 1 0 209.293 0.533 20 30 BCEDRO CC[C@@](C)(CNC(=[NH2+])N1CCO[C@H](C)C1)OC ZINC000263215693 535973316 /nfs/dbraw/zinc/97/33/16/535973316.db2.gz ZZUDLBXRMBCNDP-PWSUYJOCSA-N 1 0 243.351 0.837 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]Cc1cnn(C)n1 ZINC000293320908 534325256 /nfs/dbraw/zinc/32/52/56/534325256.db2.gz QYPKCEFUFUSUTR-JQWIXIFHSA-N 1 0 236.319 0.886 20 30 BCEDRO C[NH+]=C(NCC1([S@](C)=O)CCC1)NC1CC1 ZINC000262844280 536304724 /nfs/dbraw/zinc/30/47/24/536304724.db2.gz VEDZZRXIVQJVDG-INIZCTEOSA-N 1 0 243.376 0.615 20 30 BCEDRO CNC(=[NH2+])N[C@@H]1[C@H]2Cc3ccccc3[C@@H]12 ZINC000261978680 536305349 /nfs/dbraw/zinc/30/53/49/536305349.db2.gz OIAIYAPGYNDTII-HBNTYKKESA-N 1 0 201.273 0.859 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1CNC1=[NH+]CCN1C ZINC000262657735 534363210 /nfs/dbraw/zinc/36/32/10/534363210.db2.gz MAIGUPVURUUEDF-WDEREUQCSA-N 1 0 223.320 0.859 20 30 BCEDRO C=C(CC)CN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000335453684 534380123 /nfs/dbraw/zinc/38/01/23/534380123.db2.gz DPTXJGJRACHSDH-GFCCVEGCSA-N 1 0 237.303 0.627 20 30 BCEDRO C=C(CC)C[N@@H+]1CCN2CCOC[C@H]2C1 ZINC000334148047 534393163 /nfs/dbraw/zinc/39/31/63/534393163.db2.gz FQGPMJUJHXVCQR-GFCCVEGCSA-N 1 0 210.321 0.969 20 30 BCEDRO C=C(CC)Cn1cnc2c(c1=O)CC[NH2+]CC2 ZINC000335455756 534425289 /nfs/dbraw/zinc/42/52/89/534425289.db2.gz QTUMPBMZLZZXJS-UHFFFAOYSA-N 1 0 233.315 0.898 20 30 BCEDRO C=CCCCN(C)Cn1nc(COC)oc1=O ZINC000119719161 582800039 /nfs/dbraw/zinc/80/00/39/582800039.db2.gz VDDWJSVZEHKUBI-UHFFFAOYSA-N 1 0 241.291 0.838 20 30 BCEDRO C=C(Cl)C[N@@H+]1CC[C@@H]2C(=O)NC[C@H]2C1 ZINC000377721069 534439681 /nfs/dbraw/zinc/43/96/81/534439681.db2.gz ISFJZTJKIOVCGD-IUCAKERBSA-N 1 0 214.696 0.807 20 30 BCEDRO C=C1CC[NH+](CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000333873577 534464009 /nfs/dbraw/zinc/46/40/09/534464009.db2.gz PVTOEEFPUDFHAS-SNVBAGLBSA-N 1 0 237.303 0.579 20 30 BCEDRO C=C1CC[NH+](CCCS(=O)(=O)NC)CC1 ZINC000347974060 534465627 /nfs/dbraw/zinc/46/56/27/534465627.db2.gz HOFIOHIBWCIUBZ-UHFFFAOYSA-N 1 0 232.349 0.578 20 30 BCEDRO C=C1CC[NH+](CCC(=O)N2CCOCC2)CC1 ZINC000335952345 534466172 /nfs/dbraw/zinc/46/61/72/534466172.db2.gz XZYPAMBUFLXDHJ-UHFFFAOYSA-N 1 0 238.331 0.887 20 30 BCEDRO C=C[C@@H](C)NC(=O)CCN1CC[NH+](CC)CC1 ZINC000362610304 534477763 /nfs/dbraw/zinc/47/77/63/534477763.db2.gz CMAOJQNWUYBGQD-GFCCVEGCSA-N 1 0 239.363 0.705 20 30 BCEDRO C=C[C@@H](C)[NH2+]C1CCC2(CC1)NC(=O)NC2=O ZINC000336444882 534506979 /nfs/dbraw/zinc/50/69/79/534506979.db2.gz NKRYESFKLHBKHF-YDNLMGDJSA-N 1 0 237.303 0.671 20 30 BCEDRO C=CCNC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249785884 534518874 /nfs/dbraw/zinc/51/88/74/534518874.db2.gz MCQCUONBBAAHCA-AEJSXWLSSA-N 1 0 209.293 0.644 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1ccc(-n2cncn2)cc1 ZINC000352452227 534539513 /nfs/dbraw/zinc/53/95/13/534539513.db2.gz CMVNEMPNFJMREP-LBPRGKRZSA-N 1 0 244.298 0.904 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1ccc2c(c1)NC(=O)CO2 ZINC000353562552 534539919 /nfs/dbraw/zinc/53/99/19/534539919.db2.gz BEJOVQFCQIZIMP-JTQLQIEISA-N 1 0 248.282 0.654 20 30 BCEDRO C=C[C@@H](CO)[NH2+][C@@H](C)CC(=O)N(CC)CC ZINC000289677738 534542030 /nfs/dbraw/zinc/54/20/30/534542030.db2.gz HNKXNNCGNZESHC-QWRGUYRKSA-N 1 0 228.336 0.770 20 30 BCEDRO C[NH+]=C(NCCc1cnccn1)NC1CC1 ZINC000849015608 582826805 /nfs/dbraw/zinc/82/68/05/582826805.db2.gz DQBSOHNURKYUMS-UHFFFAOYSA-N 1 0 219.292 0.347 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])NCCC ZINC000263092179 534583139 /nfs/dbraw/zinc/58/31/39/534583139.db2.gz UOZQNGXQBBWICV-UWVGGRQHSA-N 1 0 211.309 0.892 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@H]([NH3+])C1 ZINC000333718314 534599013 /nfs/dbraw/zinc/59/90/13/534599013.db2.gz GHBKRWYNFOIPOU-AXFHLTTASA-N 1 0 239.319 0.463 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1CCC[C@@H]1C[NH3+] ZINC000333844585 534599118 /nfs/dbraw/zinc/59/91/18/534599118.db2.gz VXBGIBOKDWZORR-MXWKQRLJSA-N 1 0 239.319 0.463 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000333815044 534601735 /nfs/dbraw/zinc/60/17/35/534601735.db2.gz QEYURASQCRLXRE-MXWKQRLJSA-N 1 0 239.319 0.381 20 30 BCEDRO C=CCCC(=O)N1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000352198596 534606720 /nfs/dbraw/zinc/60/67/20/534606720.db2.gz XITXWOVYEUMZLY-RYUDHWBXSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCCC(=O)N1CC[NH+]([C@H](CC)CO)CC1 ZINC000305176259 534606860 /nfs/dbraw/zinc/60/68/60/534606860.db2.gz GFYWTFUOGACARO-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CCCC(=O)NC[C@H]1C[N@@H+]2CCC[C@H]2CO1 ZINC000361504058 534616517 /nfs/dbraw/zinc/61/65/17/534616517.db2.gz RTBNEJBWJSHYFX-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCCOCC[NH+](C)C ZINC000355649128 534627011 /nfs/dbraw/zinc/62/70/11/534627011.db2.gz KUVYZBPPNNORFM-GFCCVEGCSA-N 1 0 244.335 0.008 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCc1nnc2n1CCC2 ZINC000262244194 534663700 /nfs/dbraw/zinc/66/37/00/534663700.db2.gz IAHPNNLAADZPQP-UHFFFAOYSA-N 1 0 236.323 0.427 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NCc1nnc(C2CC2)[nH]1 ZINC000263070510 534664903 /nfs/dbraw/zinc/66/49/03/534664903.db2.gz GPCDPEHUNHXLQE-UHFFFAOYSA-N 1 0 236.323 0.885 20 30 BCEDRO C=C[C@H](CO)NC(=O)C1CC[NH+](C(C)C)CC1 ZINC000356856888 534676725 /nfs/dbraw/zinc/67/67/25/534676725.db2.gz DXXNZCGPIATUFJ-GFCCVEGCSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@H](CO)NC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000356854289 534676944 /nfs/dbraw/zinc/67/69/44/534676944.db2.gz JUQMKHGCBJCLLK-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO CC#CC[NH+]1CCC([C@@]2(C)NC(=O)NC2=O)CC1 ZINC000336553896 534708429 /nfs/dbraw/zinc/70/84/29/534708429.db2.gz ZBPPMXMJEJQEEC-CYBMUJFWSA-N 1 0 249.314 0.320 20 30 BCEDRO C=CCCN1C(=O)N[C@@]2(CCC[NH2+]C2)C1=O ZINC000335453643 534774250 /nfs/dbraw/zinc/77/42/50/534774250.db2.gz CNGMULJLHLPTRG-LLVKDONJSA-N 1 0 223.276 0.237 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@H](C(=O)NC)C(C)C ZINC000183672288 534800500 /nfs/dbraw/zinc/80/05/00/534800500.db2.gz PMXWERKYFXJGKP-MNOVXSKESA-N 1 0 228.336 0.674 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](O)Cc1ccccc1 ZINC000264264309 534843139 /nfs/dbraw/zinc/84/31/39/534843139.db2.gz KCQMROBPSOXKLG-GFCCVEGCSA-N 1 0 233.315 0.680 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1cnccn1 ZINC000263190188 534845142 /nfs/dbraw/zinc/84/51/42/534845142.db2.gz YCBQWYLFQULONU-UHFFFAOYSA-N 1 0 205.265 0.109 20 30 BCEDRO C=CCNC(=[NH2+])NCC1(CO)CCCC1 ZINC000262400398 534845407 /nfs/dbraw/zinc/84/54/07/534845407.db2.gz NQADUAFMJMSUMF-UHFFFAOYSA-N 1 0 211.309 0.629 20 30 BCEDRO C=CCOCC(=O)N1CC[NH2+][C@H](C)[C@@H]1C ZINC000261544813 534868128 /nfs/dbraw/zinc/86/81/28/534868128.db2.gz JCXZTEBWCCRTQQ-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000261545218 534870411 /nfs/dbraw/zinc/87/04/11/534870411.db2.gz JQPRATPYFOENEJ-ZJUUUORDSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000354666708 534870617 /nfs/dbraw/zinc/87/06/17/534870617.db2.gz SOSPRFMRESYLFW-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCOCC[N@@H+](CC)CC(=O)NCC ZINC000293584927 534876435 /nfs/dbraw/zinc/87/64/35/534876435.db2.gz UBGIUNPAWKUVNS-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=CCN(CCOC)C(=O)/C=C\C[NH+](C)C ZINC000493216196 526276443 /nfs/dbraw/zinc/27/64/43/526276443.db2.gz BJMXOMUSIHYNBX-SREVYHEPSA-N 1 0 226.320 0.765 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487698130 526294113 /nfs/dbraw/zinc/29/41/13/526294113.db2.gz STUUVRSXNIGCDA-NWDGAFQWSA-N 1 0 240.347 0.845 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3cc(C#N)ccn3)C[C@@H]21 ZINC000408107383 536446335 /nfs/dbraw/zinc/44/63/35/536446335.db2.gz OOSLYDRAILHTHI-RYUDHWBXSA-N 1 0 244.298 0.472 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000308346659 526573559 /nfs/dbraw/zinc/57/35/59/526573559.db2.gz PPTDWBFJHOUCGW-GHMZBOCLSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000401742535 526635661 /nfs/dbraw/zinc/63/56/61/526635661.db2.gz JYRZOIQRTLLFJI-GARJFASQSA-N 1 0 226.320 0.380 20 30 BCEDRO C#CCCN1CCN(C(=O)/C=C\C[NH+](C)C)CC1 ZINC000493463466 526724354 /nfs/dbraw/zinc/72/43/54/526724354.db2.gz XICLSBNPLONDJF-SREVYHEPSA-N 1 0 249.358 0.272 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000491738417 526856412 /nfs/dbraw/zinc/85/64/12/526856412.db2.gz PDPPJJQRKFZKHJ-GFCCVEGCSA-N 1 0 233.315 0.407 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CC[NH2+]C[C@H]1C ZINC000491707367 526859135 /nfs/dbraw/zinc/85/91/35/526859135.db2.gz NHPJDMWFTSXLEH-OLZOCXBDSA-N 1 0 247.342 0.653 20 30 BCEDRO C#CC[N@H+](CC)CCN1CCO[C@@H](C)C1 ZINC000491046124 526897029 /nfs/dbraw/zinc/89/70/29/526897029.db2.gz ONOVUIOXANXPRW-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H](C2CC2)C1 ZINC000491118879 526978409 /nfs/dbraw/zinc/97/84/09/526978409.db2.gz GIWAAQZBGRLRDW-GFCCVEGCSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@@H](O)C(C)C ZINC000491774596 526981500 /nfs/dbraw/zinc/98/15/00/526981500.db2.gz AMEAYLLYPQBWOE-LLVKDONJSA-N 1 0 226.320 0.123 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1c(C)noc1C ZINC000491630521 526981548 /nfs/dbraw/zinc/98/15/48/526981548.db2.gz MWTPPJFGZUFXKN-UHFFFAOYSA-N 1 0 249.314 0.563 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](OC)[C@H](C)CC ZINC000491646263 526982293 /nfs/dbraw/zinc/98/22/93/526982293.db2.gz SIYSBBJSWQAMJF-VXGBXAGGSA-N 1 0 240.347 0.777 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1cccc(O)c1 ZINC000491810675 526982360 /nfs/dbraw/zinc/98/23/60/526982360.db2.gz JUSVJVLEJJLPBN-UHFFFAOYSA-N 1 0 246.310 0.664 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)CC(C)(C)C ZINC000491707279 526984254 /nfs/dbraw/zinc/98/42/54/526984254.db2.gz XVQQMIPIVQPSDB-LLVKDONJSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H](C)C1 ZINC000491616291 526986452 /nfs/dbraw/zinc/98/64/52/526986452.db2.gz IMHIIZKJMBXELM-ZSBIGDGJSA-N 1 0 238.331 0.672 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC[C@@H](CO)C1 ZINC000491414550 526987830 /nfs/dbraw/zinc/98/78/30/526987830.db2.gz CZBWIGCAESLQMB-NEPJUHHUSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](OC(C)C)C1 ZINC000491385324 526988524 /nfs/dbraw/zinc/98/85/24/526988524.db2.gz RAYLWEKQLHISSI-TXEJJXNPSA-N 1 0 238.331 0.672 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@H]1O ZINC000305296646 527024712 /nfs/dbraw/zinc/02/47/12/527024712.db2.gz GOJROSZOWYKXKM-SDDRHHMPSA-N 1 0 238.331 0.217 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1CCS[C@H](CC)C1 ZINC000174364893 527028513 /nfs/dbraw/zinc/02/85/13/527028513.db2.gz ULTINYHEZZVEDH-WDEREUQCSA-N 1 0 240.372 0.952 20 30 BCEDRO C#C[C@@H](NC(=O)N1CC[C@H]([NH3+])C1)C(C)C ZINC000491695334 527273367 /nfs/dbraw/zinc/27/33/67/527273367.db2.gz ODFFYKUKZPCBQH-VHSXEESVSA-N 1 0 209.293 0.387 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)Cn1cccn1)C(C)C ZINC000300946996 527291451 /nfs/dbraw/zinc/29/14/51/527291451.db2.gz PHOFPOFJAPXXST-NWDGAFQWSA-N 1 0 221.304 0.491 20 30 BCEDRO C#C[C@@H]1COCCN1CC[NH+]1CCCCC1 ZINC000491463169 527310157 /nfs/dbraw/zinc/31/01/57/527310157.db2.gz LYPWFFLQKPONIE-CYBMUJFWSA-N 1 0 222.332 0.806 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@H](C)C[NH2+]C ZINC000491693355 527321372 /nfs/dbraw/zinc/32/13/72/527321372.db2.gz CRDOGPOWWYKKMK-ZJUUUORDSA-N 1 0 211.309 0.505 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000491048523 527330436 /nfs/dbraw/zinc/33/04/36/527330436.db2.gz YIOWGENNGAQYBI-LBPRGKRZSA-N 1 0 237.347 0.104 20 30 BCEDRO C#C[C@H](CCC)NC(=[NH2+])N[C@H](C)COC ZINC000491380975 527364257 /nfs/dbraw/zinc/36/42/57/527364257.db2.gz BZUVQDIRPPQLSH-NXEZZACHSA-N 1 0 211.309 0.937 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@H]2CC[NH2+]C[C@H]2C1)C(C)C ZINC000491730211 527390514 /nfs/dbraw/zinc/39/05/14/527390514.db2.gz JKZAUVGVDLMGFB-AGIUHOORSA-N 1 0 249.358 0.895 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](F)C[C@H]1CO ZINC000499112430 527457149 /nfs/dbraw/zinc/45/71/49/527457149.db2.gz FDEVILXTRLMHQA-GARJFASQSA-N 1 0 217.284 0.718 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)/C=C/C[NH+](C)C ZINC000493318483 527489555 /nfs/dbraw/zinc/48/95/55/527489555.db2.gz IAAWHSPTZHCOET-WTIVYXKASA-N 1 0 238.331 0.812 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CC[NH2+]C ZINC000424464060 527493771 /nfs/dbraw/zinc/49/37/71/527493771.db2.gz HNPUVSWMPPQJRI-QWRGUYRKSA-N 1 0 241.335 0.438 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H]1CN(C)C(=O)O1 ZINC000496690553 527516081 /nfs/dbraw/zinc/51/60/81/527516081.db2.gz JYFCXKKRGWEGSS-AEJSXWLSSA-N 1 0 226.276 0.370 20 30 BCEDRO CCN(CC#N)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000495102501 527882649 /nfs/dbraw/zinc/88/26/49/527882649.db2.gz RLBCTZVVYZWTKH-NSHDSACASA-N 1 0 221.304 0.985 20 30 BCEDRO CC[N@H+](CC(=O)N[C@H](C#N)C1CC1)C1CC1 ZINC000505917573 527916229 /nfs/dbraw/zinc/91/62/29/527916229.db2.gz RWTGEDGPLLSOCH-LLVKDONJSA-N 1 0 221.304 0.889 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccc(O)cc1 ZINC000264144813 536520687 /nfs/dbraw/zinc/52/06/87/536520687.db2.gz XRDRYVODGIADSU-SECBINFHSA-N 1 0 237.303 0.831 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCCOC(=O)NC(N)=O ZINC000496569564 529300768 /nfs/dbraw/zinc/30/07/68/529300768.db2.gz JTZPIUQYTVBSTA-MRVPVSSYSA-N 1 0 242.279 0.463 20 30 BCEDRO CCC[NH+]1CCN(c2ccc(C#N)nn2)CC1 ZINC000301943338 534931276 /nfs/dbraw/zinc/93/12/76/534931276.db2.gz WBMFOKPDOQGBLT-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO CC(C)(C)OCc1cc(CNC(N)=[NH2+])no1 ZINC000262444212 534989576 /nfs/dbraw/zinc/98/95/76/534989576.db2.gz OEFHUGGCLSGJJK-UHFFFAOYSA-N 1 0 226.280 0.763 20 30 BCEDRO CC(C)(C#N)CNC(=O)NCC[NH+]1CCC1 ZINC000358631921 534996688 /nfs/dbraw/zinc/99/66/88/534996688.db2.gz MRRHGXSDZDDPJA-UHFFFAOYSA-N 1 0 224.308 0.541 20 30 BCEDRO CC(C)CNC(=[NH2+])NCc1nnc2n1CCC2 ZINC000262365474 535064770 /nfs/dbraw/zinc/06/47/70/535064770.db2.gz VZUNEQKBGDEADT-UHFFFAOYSA-N 1 0 236.323 0.285 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000259436679 535127263 /nfs/dbraw/zinc/12/72/63/535127263.db2.gz OLTRJGQYZLPCMD-VHSXEESVSA-N 1 0 209.293 0.602 20 30 BCEDRO CCC(O)(CC)CCNC(=[NH2+])N1CCC1 ZINC000263087089 535195326 /nfs/dbraw/zinc/19/53/26/535195326.db2.gz IMWGZZGBKKKXHE-UHFFFAOYSA-N 1 0 213.325 0.948 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CCOC[C@H]1C#N ZINC000362405998 535247945 /nfs/dbraw/zinc/24/79/45/535247945.db2.gz MTSRBBMZROKQCU-SNVBAGLBSA-N 1 0 225.292 0.079 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(O)c(F)c1 ZINC000267455561 535423917 /nfs/dbraw/zinc/42/39/17/535423917.db2.gz SWMDRBIFTNNAQA-UHFFFAOYSA-N 1 0 211.240 0.956 20 30 BCEDRO CCNC(=[NH2+])N[C@@H]1C[C@H](OCC)[C@]12CCCO2 ZINC000262402076 535424923 /nfs/dbraw/zinc/42/49/23/535424923.db2.gz VFTRZYPBHCBYJK-SCVCMEIPSA-N 1 0 241.335 0.637 20 30 BCEDRO CCNC(NCc1cc(C)nn1C)=[NH+]CC ZINC000284079890 535786942 /nfs/dbraw/zinc/78/69/42/535786942.db2.gz QYRJIGFNEGMHND-UHFFFAOYSA-N 1 0 223.324 0.804 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(CCOCCC#N)C1 ZINC000338995830 535944259 /nfs/dbraw/zinc/94/42/59/535944259.db2.gz IAFCMLXCHCUHKU-LBPRGKRZSA-N 1 0 225.336 0.800 20 30 BCEDRO CC[C@]1(O)CC[N@H+](CCOCCC#N)C1 ZINC000339100254 535963385 /nfs/dbraw/zinc/96/33/85/535963385.db2.gz JDCSOMUAZPWCJJ-NSHDSACASA-N 1 0 212.293 0.763 20 30 BCEDRO C[NH+](C)C(C)(C)CNC(=O)C(C)(C)C#N ZINC000044352833 536108871 /nfs/dbraw/zinc/10/88/71/536108871.db2.gz HCEPIHIHQDQLPZ-UHFFFAOYSA-N 1 0 211.309 0.993 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCC1([S@@](C)=O)CC1 ZINC000262760344 536146366 /nfs/dbraw/zinc/14/63/66/536146366.db2.gz DAZLJFNANMRWJG-VXJOIVPMSA-N 1 0 231.365 0.600 20 30 BCEDRO CN(CCC#N)C(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000370612594 536297474 /nfs/dbraw/zinc/29/74/74/536297474.db2.gz OFDYJSJAIAZMQH-NSHDSACASA-N 1 0 221.304 0.700 20 30 BCEDRO CNC(=[NH2+])NCC(=O)N1CCCc2ccccc21 ZINC000261691708 536304301 /nfs/dbraw/zinc/30/43/01/536304301.db2.gz BJIHFWDMTNZGKY-UHFFFAOYSA-N 1 0 246.314 0.500 20 30 BCEDRO CNC(=O)c1cccc(CNC2=[NH+]C[C@H](C)N2)c1 ZINC000262199690 536437140 /nfs/dbraw/zinc/43/71/40/536437140.db2.gz APCSMKGOUFPMJX-VIFPVBQESA-N 1 0 246.314 0.484 20 30 BCEDRO COC1(CNC(=[NH2+])N2CCOCC2)CCC1 ZINC000262571756 536593591 /nfs/dbraw/zinc/59/35/91/536593591.db2.gz NDSYBOVIIILDIQ-UHFFFAOYSA-N 1 0 227.308 0.202 20 30 BCEDRO COCC(C)(C)[NH2+]CCC(=O)N(C)CCC#N ZINC000181559039 536795940 /nfs/dbraw/zinc/79/59/40/536795940.db2.gz UVEYPZFOTYKJPP-UHFFFAOYSA-N 1 0 241.335 0.763 20 30 BCEDRO CO[C@@](C)(CNC1=[NH+]CCN1C)C1CC1 ZINC000261532147 536821271 /nfs/dbraw/zinc/82/12/71/536821271.db2.gz JJIABVZBLUEUCP-NSHDSACASA-N 1 0 211.309 0.693 20 30 BCEDRO COc1ncccc1CNC1=[NH+]CCN1C ZINC000261587605 537156558 /nfs/dbraw/zinc/15/65/58/537156558.db2.gz RUUVJXLORUOJBR-UHFFFAOYSA-N 1 0 220.276 0.481 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000666608917 537972787 /nfs/dbraw/zinc/97/27/87/537972787.db2.gz NVWBIWJTPULCJY-AXFHLTTASA-N 1 0 224.304 0.276 20 30 BCEDRO CCC#C[C@H](C)N1CC[NH+](CCO)CC1 ZINC000677047968 566297046 /nfs/dbraw/zinc/29/70/46/566297046.db2.gz LZPWDCSLTWOPJN-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]([C@@H]2CC[NH2+]C2)C1 ZINC000491633152 566451692 /nfs/dbraw/zinc/45/16/92/566451692.db2.gz RJZCJPIUYPDLDC-NEPJUHHUSA-N 1 0 235.331 0.651 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCCC(C)(C)[NH3+] ZINC000892852863 582996946 /nfs/dbraw/zinc/99/69/46/582996946.db2.gz DNLPDASAOQQYMO-SECBINFHSA-N 1 0 211.309 0.777 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NCCC(C)(C)[NH3+] ZINC000892855525 582997272 /nfs/dbraw/zinc/99/72/72/582997272.db2.gz ZCRWNRBXFXPGIP-JTQLQIEISA-N 1 0 243.351 0.598 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)c1ccccn1 ZINC000853108959 588721059 /nfs/dbraw/zinc/72/10/59/588721059.db2.gz KLDDVOBJRYHAMP-ZYHUDNBSSA-N 1 0 220.272 0.089 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)c1ccccn1 ZINC000853111389 588721227 /nfs/dbraw/zinc/72/12/27/588721227.db2.gz UKCZACGFMJQNRI-AAEUAGOBSA-N 1 0 234.299 0.479 20 30 BCEDRO C#C[C@@H](CO)[NH2+]CCC(=O)N(C)c1ccccc1 ZINC000853110918 588721377 /nfs/dbraw/zinc/72/13/77/588721377.db2.gz LZUYELPADDKCHB-LBPRGKRZSA-N 1 0 246.310 0.623 20 30 BCEDRO COC(=O)CC(C)(C)CC(C)N=NC(N)=[NH2+] ZINC000853287613 588730090 /nfs/dbraw/zinc/73/00/90/588730090.db2.gz ODILMBWTTDISDZ-UHFFFAOYSA-N 1 0 228.296 0.825 20 30 BCEDRO COCCON=Cc1cnc2n1CCC2 ZINC000853315362 588731356 /nfs/dbraw/zinc/73/13/56/588731356.db2.gz TYSNUYOLCCNZIF-UHFFFAOYSA-N 1 0 209.249 0.826 20 30 BCEDRO C#CC[N@@H+](C)CCCNc1c(C#N)cnn1C ZINC000853646816 588751991 /nfs/dbraw/zinc/75/19/91/588751991.db2.gz ASSQLSVWJUEOJZ-UHFFFAOYSA-N 1 0 231.303 0.659 20 30 BCEDRO C=CCC[NH2+][C@H]1CCN[C@H]1C(=O)OCC ZINC000854219122 588779935 /nfs/dbraw/zinc/77/99/35/588779935.db2.gz CZBRWUDYXRWWKN-VHSXEESVSA-N 1 0 212.293 0.446 20 30 BCEDRO CC(C)C#CC(=O)NC1CC[NH+](C)CC1 ZINC000854288808 588782794 /nfs/dbraw/zinc/78/27/94/588782794.db2.gz KQZGLCLDRDZHDB-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[C@H](CO)NC(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000854543175 588792511 /nfs/dbraw/zinc/79/25/11/588792511.db2.gz VIVOKPDKTVJRIL-VHSXEESVSA-N 1 0 247.298 0.015 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@@H](C(C)C)[NH+](C)C ZINC000854545640 588792807 /nfs/dbraw/zinc/79/28/07/588792807.db2.gz MZCSUYWXGOBUFD-WDEREUQCSA-N 1 0 226.320 0.073 20 30 BCEDRO C#CCOCCC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000854651483 588799358 /nfs/dbraw/zinc/79/93/58/588799358.db2.gz CYHJPEGJPQHQLD-VXGBXAGGSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCOCCC(=O)N1CC(C[NH+](C)C)C1 ZINC000854723690 588804084 /nfs/dbraw/zinc/80/40/84/588804084.db2.gz FAQHIROXRQFPTK-UHFFFAOYSA-N 1 0 224.304 0.046 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N1CC(C[NH+](C)C)C1 ZINC000854722277 588804171 /nfs/dbraw/zinc/80/41/71/588804171.db2.gz RKZQQIJRULORPX-JTQLQIEISA-N 1 0 224.304 0.045 20 30 BCEDRO C[NH+](C)CCONC(=O)c1cccc(C#N)n1 ZINC000854945036 588817637 /nfs/dbraw/zinc/81/76/37/588817637.db2.gz HFKJTELNHBILFO-UHFFFAOYSA-N 1 0 234.259 0.176 20 30 BCEDRO C[NH+](C)CCONC(=O)c1cc(C#N)c[nH]1 ZINC000854945944 588818097 /nfs/dbraw/zinc/81/80/97/588818097.db2.gz XNDMSFLYKYBCJD-UHFFFAOYSA-N 1 0 222.248 0.109 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCSC ZINC000855151110 588824541 /nfs/dbraw/zinc/82/45/41/588824541.db2.gz HTHRATIITJPIKM-UHFFFAOYSA-N 1 0 202.323 0.583 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@H](COC)OC ZINC000855221274 588826232 /nfs/dbraw/zinc/82/62/32/588826232.db2.gz IIWOSBOPCMJEFF-LLVKDONJSA-N 1 0 244.335 0.272 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1c(C)cnn1C ZINC000855250913 588826271 /nfs/dbraw/zinc/82/62/71/588826271.db2.gz TVOFTOFQSDEHLK-UHFFFAOYSA-N 1 0 222.292 0.785 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@@H]2CCCC[N@H+]2CC)C1 ZINC000890521750 582463997 /nfs/dbraw/zinc/46/39/97/582463997.db2.gz RYADUENXXUDSND-NSHDSACASA-N 1 0 236.315 0.067 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@H]2CC[N@@H+]2C2CCCC2)C1 ZINC000890527452 582467446 /nfs/dbraw/zinc/46/74/46/582467446.db2.gz SKLHZSPYRCXLQO-GFCCVEGCSA-N 1 0 248.326 0.210 20 30 BCEDRO C=CC[C@@H]1CCN1C(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000890548269 582470252 /nfs/dbraw/zinc/47/02/52/582470252.db2.gz OQLQNBBYMJTGKL-NTZNESFSSA-N 1 0 238.331 0.619 20 30 BCEDRO COc1ccc2c(c1F)CCC2=NNC(N)=[NH2+] ZINC000807962408 582609213 /nfs/dbraw/zinc/60/92/13/582609213.db2.gz XDHLMFMWEGZRTL-UHFFFAOYSA-N 1 0 236.250 0.968 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)C(=O)[C@H](C)C1 ZINC000855580535 588839973 /nfs/dbraw/zinc/83/99/73/588839973.db2.gz CQAHCIRHHXRQAX-NXEZZACHSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CCCN1CC[NH+](CC[C@@H]2CCNC2=O)CC1 ZINC000846836627 582666573 /nfs/dbraw/zinc/66/65/73/582666573.db2.gz HGVNKRYHVYMJJP-ZDUSSCGKSA-N 1 0 249.358 0.154 20 30 BCEDRO C#CCCCC(=O)N(C)CC1C[NH+](C)C1 ZINC000855641480 588843077 /nfs/dbraw/zinc/84/30/77/588843077.db2.gz MCIDALLEOXSYJI-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO CN1CC[C@H]([N@H+](C)CCCSCC#N)C1=O ZINC000074991262 582684545 /nfs/dbraw/zinc/68/45/45/582684545.db2.gz OLFKDVZCNJWNPS-JTQLQIEISA-N 1 0 241.360 0.796 20 30 BCEDRO C=CCCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891864405 582731276 /nfs/dbraw/zinc/73/12/76/582731276.db2.gz XXSRQNRUXSSOOX-MGCOHNPYSA-N 1 0 211.309 0.989 20 30 BCEDRO N#CCCCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891511982 582694320 /nfs/dbraw/zinc/69/43/20/582694320.db2.gz HDRVHJKVYWTZMR-SNVBAGLBSA-N 1 0 224.308 0.813 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)[C@H](O)[C@@H](C)C1 ZINC000855687284 588845077 /nfs/dbraw/zinc/84/50/77/588845077.db2.gz CFICKFDRACRXTN-IAZYJMLFSA-N 1 0 240.347 0.580 20 30 BCEDRO C#CCSCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891589791 582699530 /nfs/dbraw/zinc/69/95/30/582699530.db2.gz RCIABXIYMCNQAP-ZJUUUORDSA-N 1 0 241.360 0.484 20 30 BCEDRO C#CCSCCNC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000891588497 582699885 /nfs/dbraw/zinc/69/98/85/582699885.db2.gz DCNOMRFJNMNOSV-UWVGGRQHSA-N 1 0 239.344 0.109 20 30 BCEDRO C#CCCCCNC(=O)N1C[C@H]([NH3+])C[C@@H]1C ZINC000891672803 582708679 /nfs/dbraw/zinc/70/86/79/582708679.db2.gz SDELSYXOXVVVJK-WDEREUQCSA-N 1 0 223.320 0.921 20 30 BCEDRO CC(C)(C#N)CNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000891766050 582717822 /nfs/dbraw/zinc/71/78/22/582717822.db2.gz LVUYIFODXMVCQO-SECBINFHSA-N 1 0 224.308 0.669 20 30 BCEDRO CC(C)([NH3+])CCNC(=O)NCCCC#N ZINC000891769024 582718290 /nfs/dbraw/zinc/71/82/90/582718290.db2.gz HMWWORXWDVGFPR-UHFFFAOYSA-N 1 0 212.297 0.717 20 30 BCEDRO N#CCCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000891769866 582718526 /nfs/dbraw/zinc/71/85/26/582718526.db2.gz RWYHAIOXVSPETA-MNOVXSKESA-N 1 0 236.319 0.826 20 30 BCEDRO N#CCCCNC(=O)N1CCC[C@@H]2[NH2+]CC[C@H]21 ZINC000891769868 582718693 /nfs/dbraw/zinc/71/86/93/582718693.db2.gz RWYHAIOXVSPETA-WDEREUQCSA-N 1 0 236.319 0.826 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cnccn1 ZINC000779800564 582735044 /nfs/dbraw/zinc/73/50/44/582735044.db2.gz OMLRPBHEWUUYMH-SSDOTTSWSA-N 1 0 218.264 0.138 20 30 BCEDRO C=CCC1(O)CCN(C(=O)N[C@H](C)C[NH3+])CC1 ZINC000892063461 582781311 /nfs/dbraw/zinc/78/13/11/582781311.db2.gz JUJOSXSXCHDOJR-SNVBAGLBSA-N 1 0 241.335 0.446 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H](O)C12CCC2 ZINC000855921808 588854039 /nfs/dbraw/zinc/85/40/39/588854039.db2.gz ZUOLUWSCUWAADE-GHMZBOCLSA-N 1 0 238.331 0.524 20 30 BCEDRO C[NH+]=C(NCCN1CC=CCC1)NC1CC1 ZINC000849024723 582830165 /nfs/dbraw/zinc/83/01/65/582830165.db2.gz TVROVYZVVJWPLV-UHFFFAOYSA-N 1 0 222.336 0.576 20 30 BCEDRO Cc1cc(N(C)C)ccc1C=[NH+]NCC(N)=O ZINC000841631099 582856962 /nfs/dbraw/zinc/85/69/62/582856962.db2.gz CWXCNAUWHVTAOP-UHFFFAOYSA-N 1 0 234.303 0.470 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)CS(C)(=O)=O ZINC000393674880 582858808 /nfs/dbraw/zinc/85/88/08/582858808.db2.gz TWJKNDHUOSUJCN-SECBINFHSA-N 1 0 221.322 0.212 20 30 BCEDRO CC[NH+]1CCN(c2ccc(C(=O)NO)cc2)CC1 ZINC000782170913 582868210 /nfs/dbraw/zinc/86/82/10/582868210.db2.gz OEECJXLGKLDCJR-UHFFFAOYSA-N 1 0 249.314 0.948 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000856073381 588859615 /nfs/dbraw/zinc/85/96/15/588859615.db2.gz OLEQZMQBCWZNFE-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892558091 582913272 /nfs/dbraw/zinc/91/32/72/582913272.db2.gz KHRBYBHZGHSWIP-PHIMTYICSA-N 1 0 241.335 0.568 20 30 BCEDRO CNC(=S)N(C)N=C1CC[N@H+](C)[C@@H](C)C1 ZINC000841647874 582965217 /nfs/dbraw/zinc/96/52/17/582965217.db2.gz MDGFOIZNRCDBGC-QMMMGPOBSA-N 1 0 228.365 0.893 20 30 BCEDRO C#CCOCC[N@@H+]1CCS[C@@H]2COCC[C@H]21 ZINC000851815900 582968480 /nfs/dbraw/zinc/96/84/80/582968480.db2.gz AABZPBBQPJUCPF-VXGBXAGGSA-N 1 0 241.356 0.843 20 30 BCEDRO C=CCOCC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000892783493 582981779 /nfs/dbraw/zinc/98/17/79/582981779.db2.gz ONRONLFDYIBYBI-CYBMUJFWSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CCOCC[N@@H+](CCOCCO)C(C)C ZINC000852018906 582993125 /nfs/dbraw/zinc/99/31/25/582993125.db2.gz STRJMEVSZYLRNP-UHFFFAOYSA-N 1 0 229.320 0.356 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCCC(C)(C)[NH3+] ZINC000892849568 582996068 /nfs/dbraw/zinc/99/60/68/582996068.db2.gz MCTAZQRSMUMDNF-SECBINFHSA-N 1 0 229.324 0.350 20 30 BCEDRO CC(C)([NH3+])CCNC(=O)N1CCO[C@H](C#N)C1 ZINC000892859299 582999044 /nfs/dbraw/zinc/99/90/44/582999044.db2.gz WDODVLFUASUINQ-SECBINFHSA-N 1 0 240.307 0.048 20 30 BCEDRO C#CCCN(CCOC)C(=O)C[N@H+](C)C(C)C ZINC000856387816 588870948 /nfs/dbraw/zinc/87/09/48/588870948.db2.gz XQVTXBMTAAYRRN-UHFFFAOYSA-N 1 0 240.347 0.825 20 30 BCEDRO C=C(Cl)CNC(=O)N(C)CC1C[NH+](C)C1 ZINC000852123093 583006217 /nfs/dbraw/zinc/00/62/17/583006217.db2.gz MKNHKLOCHRLHRU-UHFFFAOYSA-N 1 0 231.727 0.942 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)COCCOC ZINC000892993021 583026175 /nfs/dbraw/zinc/02/61/75/583026175.db2.gz NQLHIZHXUJGKMX-NSHDSACASA-N 1 0 231.361 0.994 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+][C@H](CO)C1CC1 ZINC000856736285 588875569 /nfs/dbraw/zinc/87/55/69/588875569.db2.gz GFWPQQUGPQYPEQ-WDEREUQCSA-N 1 0 226.320 0.648 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cnn(C)c1C1CC1 ZINC000893317835 583099755 /nfs/dbraw/zinc/09/97/55/583099755.db2.gz IOLXANRBDOFWAK-UHFFFAOYSA-N 1 0 248.330 0.689 20 30 BCEDRO C#C[C@H]([NH2+]CCN1CCOC1=O)[C@H]1CCCO1 ZINC000775794838 583104140 /nfs/dbraw/zinc/10/41/40/583104140.db2.gz KIAQQJGCQDUWFS-WDEREUQCSA-N 1 0 238.287 0.209 20 30 BCEDRO C#C[C@@H]([NH2+]CCN1CCOC1=O)[C@@H]1CCCO1 ZINC000775794836 583104538 /nfs/dbraw/zinc/10/45/38/583104538.db2.gz KIAQQJGCQDUWFS-MNOVXSKESA-N 1 0 238.287 0.209 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000856797523 588878577 /nfs/dbraw/zinc/87/85/77/588878577.db2.gz IGLGHPGNKPOUDO-NEPJUHHUSA-N 1 0 211.305 0.587 20 30 BCEDRO COCCN(C)CCNC(=[NH2+])NCCC(C)C ZINC000104183615 583159626 /nfs/dbraw/zinc/15/96/26/583159626.db2.gz BCTYXNFSNKVWNX-UHFFFAOYSA-N 1 0 244.383 0.515 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)COCCOC)[C@@H]1CCCO1 ZINC000893677212 583195274 /nfs/dbraw/zinc/19/52/74/583195274.db2.gz QVDWUSBDUULHCU-AGIUHOORSA-N 1 0 241.331 0.808 20 30 BCEDRO Cc1nc(C#N)cc(N2CC[C@@H]3C[N@@H+](C)C[C@@H]32)n1 ZINC000893933513 583251628 /nfs/dbraw/zinc/25/16/28/583251628.db2.gz ABEWSXUPAXZVOI-PWSUYJOCSA-N 1 0 243.314 0.797 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000857107384 588888764 /nfs/dbraw/zinc/88/87/64/588888764.db2.gz UCPYIWWLCCRSES-GXSJLCMTSA-N 1 0 224.308 0.669 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000894107372 583306938 /nfs/dbraw/zinc/30/69/38/583306938.db2.gz CQHHAVCWVGDGCR-WDEREUQCSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000894107572 583307299 /nfs/dbraw/zinc/30/72/99/583307299.db2.gz FSPGZSYUOZHSJQ-VWYCJHECSA-N 1 0 236.319 0.492 20 30 BCEDRO C[N@H+]1C[C@H]2CN(C(=O)NCCCC#N)C[C@H]2C1 ZINC000894130910 583312996 /nfs/dbraw/zinc/31/29/96/583312996.db2.gz LYAUCYSXXHVKFK-PHIMTYICSA-N 1 0 236.319 0.493 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]C[C@H](C)N2)on1 ZINC000857212056 588894093 /nfs/dbraw/zinc/89/40/93/588894093.db2.gz QRSUZYWPKOVFTN-ZETCQYMHSA-N 1 0 207.237 0.254 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCc1cnccn1 ZINC000857237952 588900955 /nfs/dbraw/zinc/90/09/55/588900955.db2.gz YEKVOKCLQAQODW-LBPRGKRZSA-N 1 0 248.330 0.909 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)CC1(O)CCCCC1 ZINC000878500001 583377560 /nfs/dbraw/zinc/37/75/60/583377560.db2.gz AEEAPFXLLWCMBL-LBPRGKRZSA-N 1 0 225.332 0.998 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000726870913 583380310 /nfs/dbraw/zinc/38/03/10/583380310.db2.gz REBNWTPXESXYNP-CYBMUJFWSA-N 1 0 249.358 0.296 20 30 BCEDRO CC[N@H+](CC(=O)NCCC#N)C1CCC1 ZINC000738314181 583383730 /nfs/dbraw/zinc/38/37/30/583383730.db2.gz NSQDMXKGUBLELV-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC1CC([NH+](C)C)C1 ZINC000857228012 588896612 /nfs/dbraw/zinc/89/66/12/588896612.db2.gz XKZIQNZWBKACJB-NWGYLPEXSA-N 1 0 212.293 0.132 20 30 BCEDRO C#Cc1ccc(C(=O)NC2CC([NH+](C)C)C2)nc1 ZINC000857231068 588896816 /nfs/dbraw/zinc/89/68/16/588896816.db2.gz UNLREQOKKNZSRF-UHFFFAOYSA-N 1 0 243.310 0.885 20 30 BCEDRO CC#CC[C@@H](CO)Nc1nc(N)cc(C)[nH+]1 ZINC000894366070 583438705 /nfs/dbraw/zinc/43/87/05/583438705.db2.gz JAWQNENPJVDSEV-VIFPVBQESA-N 1 0 220.276 0.553 20 30 BCEDRO CC#CC[C@H](CO)Nc1nc(N)cc(C)[nH+]1 ZINC000894366069 583438834 /nfs/dbraw/zinc/43/88/34/583438834.db2.gz JAWQNENPJVDSEV-SECBINFHSA-N 1 0 220.276 0.553 20 30 BCEDRO C#C[C@H](CC)[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000894387598 583444078 /nfs/dbraw/zinc/44/40/78/583444078.db2.gz QPSMIRBVMNTVGQ-GMTAPVOTSA-N 1 0 229.345 0.811 20 30 BCEDRO C#C[C@H](CC)[NH2+][C@H](C)[C@H]1CCS(=O)(=O)C1 ZINC000894387600 583444360 /nfs/dbraw/zinc/44/43/60/583444360.db2.gz QPSMIRBVMNTVGQ-OUAUKWLOSA-N 1 0 229.345 0.811 20 30 BCEDRO C#C[C@H](CC)[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000894387720 583444847 /nfs/dbraw/zinc/44/48/47/583444847.db2.gz UOEYKVUKUBRPKH-SNVBAGLBSA-N 1 0 233.315 0.994 20 30 BCEDRO C#CCCCCNC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000841858696 583449278 /nfs/dbraw/zinc/44/92/78/583449278.db2.gz CJIPPRIUEZHZTE-NXEZZACHSA-N 1 0 211.309 0.825 20 30 BCEDRO C#CCCCCNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000841858697 583449290 /nfs/dbraw/zinc/44/92/90/583449290.db2.gz CJIPPRIUEZHZTE-UWVGGRQHSA-N 1 0 211.309 0.825 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21)C(C)C ZINC000894933290 583555975 /nfs/dbraw/zinc/55/59/75/583555975.db2.gz INJLKBGYIBLFMK-AGIUHOORSA-N 1 0 249.358 0.990 20 30 BCEDRO C#C[C@H](CC)NC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000894937620 583558489 /nfs/dbraw/zinc/55/84/89/583558489.db2.gz RTEGJSQZKJRPLW-TUAOUCFPSA-N 1 0 235.331 0.744 20 30 BCEDRO C#CCOCCNC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000841873839 583590175 /nfs/dbraw/zinc/59/01/75/583590175.db2.gz ASSDMNKTXYGQKD-QWRGUYRKSA-N 1 0 239.319 0.028 20 30 BCEDRO C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cocn1 ZINC000814885607 583596315 /nfs/dbraw/zinc/59/63/15/583596315.db2.gz FLKAOQUKEMWOON-NXEZZACHSA-N 1 0 233.275 0.869 20 30 BCEDRO O=C1[C@@H]([NH2+]CCC[C@H]2CCO2)CCCN1O ZINC000895158845 583608261 /nfs/dbraw/zinc/60/82/61/583608261.db2.gz PIHXZSCDFASPRF-UWVGGRQHSA-N 1 0 228.292 0.525 20 30 BCEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)C[C@H](C)O1 ZINC000895158715 583608414 /nfs/dbraw/zinc/60/84/14/583608414.db2.gz NCLMFQLPNGUSCS-VLEAKVRGSA-N 1 0 242.319 0.912 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)C[C@H](C)O1 ZINC000895158716 583608651 /nfs/dbraw/zinc/60/86/51/583608651.db2.gz NCLMFQLPNGUSCS-VPOLOUISSA-N 1 0 242.319 0.912 20 30 BCEDRO CC[C@](C)(C[NH2+][C@@H]1CCCN(O)C1=O)OC ZINC000895159087 583608696 /nfs/dbraw/zinc/60/86/96/583608696.db2.gz SEPAAECJJPZKSF-MWLCHTKSSA-N 1 0 230.308 0.771 20 30 BCEDRO COC[C@@H](C)C[NH2+][C@H]1CCCN(O)C1=O ZINC000895159530 583608963 /nfs/dbraw/zinc/60/89/63/583608963.db2.gz HEZVOSWJGUQASA-IUCAKERBSA-N 1 0 216.281 0.239 20 30 BCEDRO COC[C@@H](C)C[NH2+][C@@H]1CCCN(O)C1=O ZINC000895159529 583608987 /nfs/dbraw/zinc/60/89/87/583608987.db2.gz HEZVOSWJGUQASA-DTWKUNHWSA-N 1 0 216.281 0.239 20 30 BCEDRO COC1CC([NH2+][C@H]2CCCN(O)C2=O)C1 ZINC000895159781 583609527 /nfs/dbraw/zinc/60/95/27/583609527.db2.gz ICYTWGVAYYTJFI-HACHORDNSA-N 1 0 214.265 0.134 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)CCO1 ZINC000895161860 583610569 /nfs/dbraw/zinc/61/05/69/583610569.db2.gz IEOKKEKWPIFPHM-BBBLOLIVSA-N 1 0 228.292 0.524 20 30 BCEDRO O=C1[C@@H]([NH2+]C2CC(C(F)F)C2)CCCN1O ZINC000895162420 583610961 /nfs/dbraw/zinc/61/09/61/583610961.db2.gz ZEHFDGXANFSZAD-RRQHEKLDSA-N 1 0 234.246 1.000 20 30 BCEDRO CSC1CC([NH2+][C@@H]2CCCN(O)C2=O)C1 ZINC000895197578 583623366 /nfs/dbraw/zinc/62/33/66/583623366.db2.gz UMAKGGZDRBFOHV-AMDVSUOASA-N 1 0 230.333 0.850 20 30 BCEDRO CNC(NC[C@@H](CO)Cc1ccco1)=[NH+]C ZINC000727241496 583624737 /nfs/dbraw/zinc/62/47/37/583624737.db2.gz UTOJSWCVNCDMOK-VIFPVBQESA-N 1 0 225.292 0.225 20 30 BCEDRO N#Cc1ccc(NC(=O)N(CC[NH3+])CCO)cc1 ZINC000857766786 588910749 /nfs/dbraw/zinc/91/07/49/588910749.db2.gz SQXZAIAWZCQKFX-UHFFFAOYSA-N 1 0 248.286 0.343 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000895248539 583631854 /nfs/dbraw/zinc/63/18/54/583631854.db2.gz MIUFOUZZLXMEND-VHSXEESVSA-N 1 0 225.292 0.450 20 30 BCEDRO N#Cc1cc(N2CC=C(N)[NH2+]2)nc(C2CC2)n1 ZINC000895247275 583632729 /nfs/dbraw/zinc/63/27/29/583632729.db2.gz HESWHJRWGBXQOM-UHFFFAOYSA-N 1 0 228.259 0.350 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2ccn(C)c2)CC1 ZINC000895383659 583662744 /nfs/dbraw/zinc/66/27/44/583662744.db2.gz ZCUAKSDNTHBCPO-UHFFFAOYSA-N 1 0 218.300 0.985 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@@H]1CC[C@H](C(=O)OC)C1 ZINC000895415483 583667278 /nfs/dbraw/zinc/66/72/78/583667278.db2.gz NEFYWIZIALWXBF-QJPTWQEYSA-N 1 0 239.315 0.956 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCC2(C[C@H]1F)OCCO2 ZINC000895461089 583677572 /nfs/dbraw/zinc/67/75/72/583677572.db2.gz DMWMHIZYBVJSHP-GMTAPVOTSA-N 1 0 245.294 0.757 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cn(CC)nc1C ZINC000895461595 583677666 /nfs/dbraw/zinc/67/76/66/583677666.db2.gz UMJICQISWPHAHA-LLVKDONJSA-N 1 0 209.293 0.848 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C1CC(n2cccn2)C1 ZINC000895490855 583680713 /nfs/dbraw/zinc/68/07/13/583680713.db2.gz UQSZNCFRKLPPTM-UNXYVOJBSA-N 1 0 219.288 0.560 20 30 BCEDRO C=C[C@H](C)ONC(=O)NCc1cn(C)cn1 ZINC000895578488 583694694 /nfs/dbraw/zinc/69/46/94/583694694.db2.gz LGUOSKIROHPJMK-QMMMGPOBSA-N 1 0 224.264 0.725 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000895678168 583704502 /nfs/dbraw/zinc/70/45/02/583704502.db2.gz BXTPEOJXGGKHSD-MNOVXSKESA-N 1 0 223.320 0.649 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000895678169 583704781 /nfs/dbraw/zinc/70/47/81/583704781.db2.gz BXTPEOJXGGKHSD-QWRGUYRKSA-N 1 0 223.320 0.649 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+][C@@H](C)COC(C)=O ZINC000895669136 583706191 /nfs/dbraw/zinc/70/61/91/583706191.db2.gz UUHBEQMZSNXURJ-CMPLNLGQSA-N 1 0 227.304 0.956 20 30 BCEDRO C=CCCNC(=O)NCC[NH+]1CCC(O)CC1 ZINC000895692638 583707824 /nfs/dbraw/zinc/70/78/24/583707824.db2.gz VMXVFAUSTSWNCO-UHFFFAOYSA-N 1 0 241.335 0.318 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccon2)C1 ZINC000895748067 583716517 /nfs/dbraw/zinc/71/65/17/583716517.db2.gz LZJJWSRDRKJHLI-GFCCVEGCSA-N 1 0 219.288 0.862 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@@H]1CS(=O)(=O)C[C@@H]1C ZINC000895797250 583731006 /nfs/dbraw/zinc/73/10/06/583731006.db2.gz XWBJHVYUNBLURB-OUAUKWLOSA-N 1 0 244.360 0.949 20 30 BCEDRO C#CC[NH+]1CCC(Nc2c(C#N)cnn2C)CC1 ZINC000895811517 583733109 /nfs/dbraw/zinc/73/31/09/583733109.db2.gz IJJZJPLFBYRPTC-UHFFFAOYSA-N 1 0 243.314 0.801 20 30 BCEDRO C#CC[NH+]1CCC(Nc2cc(=O)n(C)cn2)CC1 ZINC000895812313 583733349 /nfs/dbraw/zinc/73/33/49/583733349.db2.gz PDUJQRBJCVAZSU-UHFFFAOYSA-N 1 0 246.314 0.290 20 30 BCEDRO C#CCSCC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000895821148 583734803 /nfs/dbraw/zinc/73/48/03/583734803.db2.gz RLDGCSJWYPREQU-NSHDSACASA-N 1 0 240.372 0.811 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccnc(OC)c1F ZINC000895965195 583754057 /nfs/dbraw/zinc/75/40/57/583754057.db2.gz UYMIZFHUVJOOCL-SNVBAGLBSA-N 1 0 238.262 0.703 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H](C)COC(C)=O ZINC000896034729 583764422 /nfs/dbraw/zinc/76/44/22/583764422.db2.gz FSPYLHQWJRFXKG-ONGXEEELSA-N 1 0 215.293 0.855 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)COC(C)=O ZINC000896034727 583764581 /nfs/dbraw/zinc/76/45/81/583764581.db2.gz FSPYLHQWJRFXKG-KOLCDFICSA-N 1 0 215.293 0.855 20 30 BCEDRO C#CCSCC(=O)NCC[N@@H+](CC)C1CC1 ZINC000896074551 583768947 /nfs/dbraw/zinc/76/89/47/583768947.db2.gz MDWVQFUOINRGTB-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO CCO[C@H](CNc1cc(C#N)ncn1)C[NH+](C)C ZINC000896113887 583771492 /nfs/dbraw/zinc/77/14/92/583771492.db2.gz UIGULOSKSQVMNR-LLVKDONJSA-N 1 0 249.318 0.727 20 30 BCEDRO CCO[C@@H](CNc1cncc(C#N)n1)C[NH+](C)C ZINC000896114112 583772328 /nfs/dbraw/zinc/77/23/28/583772328.db2.gz WUNKXFLLTXPMSB-NSHDSACASA-N 1 0 249.318 0.727 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCn2cncc21 ZINC000857981448 588928309 /nfs/dbraw/zinc/92/83/09/588928309.db2.gz DZYAHLGWUNAWFS-JTQLQIEISA-N 1 0 234.303 0.562 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896413761 583801402 /nfs/dbraw/zinc/80/14/02/583801402.db2.gz HTXFUKDFTYFERN-PWSUYJOCSA-N 1 0 238.331 0.788 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N(C)C1CC1 ZINC000115958383 588938518 /nfs/dbraw/zinc/93/85/18/588938518.db2.gz AESRYGUULMBZGL-LLVKDONJSA-N 1 0 224.352 0.880 20 30 BCEDRO C#Cc1ccc(CNC(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000841907498 583865234 /nfs/dbraw/zinc/86/52/34/583865234.db2.gz AGMDVGGITXGVPG-CYBMUJFWSA-N 1 0 243.310 0.911 20 30 BCEDRO C=C(Cl)CNC(=O)NCCOCC[NH+](C)C ZINC000788020115 583897093 /nfs/dbraw/zinc/89/70/93/583897093.db2.gz XDWADKNWVRXTGL-UHFFFAOYSA-N 1 0 249.742 0.616 20 30 BCEDRO CC#CCNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897254010 583904051 /nfs/dbraw/zinc/90/40/51/583904051.db2.gz MPQGJZFYVDSHGC-UHFFFAOYSA-N 1 0 236.315 0.237 20 30 BCEDRO C#Cc1ccc(C(=O)NCC[N@@H+](C)C2CC2)cn1 ZINC000728861072 583929046 /nfs/dbraw/zinc/92/90/46/583929046.db2.gz KENUTKBMCIICDP-UHFFFAOYSA-N 1 0 243.310 0.887 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@@H](C)[NH+](C)C)cn1 ZINC000728861194 583929284 /nfs/dbraw/zinc/92/92/84/583929284.db2.gz GGKBAZMXANHWLI-SNVBAGLBSA-N 1 0 231.299 0.743 20 30 BCEDRO C#Cc1ccc(C[NH2+]CCN2CC[C@@H](O)C2)cc1 ZINC000858298783 588943275 /nfs/dbraw/zinc/94/32/75/588943275.db2.gz XWLLSSVVPQFWFG-OAHLLOKOSA-N 1 0 244.338 0.824 20 30 BCEDRO C=C(C)CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897444664 583985174 /nfs/dbraw/zinc/98/51/74/583985174.db2.gz NXBCQKVQIKMLDS-LLVKDONJSA-N 1 0 224.304 0.399 20 30 BCEDRO C#CCSCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000897444727 583985445 /nfs/dbraw/zinc/98/54/45/583985445.db2.gz PKERGYPUPAJRKK-GHMZBOCLSA-N 1 0 240.372 0.952 20 30 BCEDRO C=C(C)CNC(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897444618 583985496 /nfs/dbraw/zinc/98/54/96/583985496.db2.gz MQYSTVDRANNUTH-UHFFFAOYSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897444665 583985656 /nfs/dbraw/zinc/98/56/56/583985656.db2.gz NXBCQKVQIKMLDS-NSHDSACASA-N 1 0 224.304 0.399 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cnnn1CC ZINC000858334483 588946642 /nfs/dbraw/zinc/94/66/42/588946642.db2.gz NWNQQUBLLKWGJN-NSHDSACASA-N 1 0 236.319 0.816 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000858334273 588946652 /nfs/dbraw/zinc/94/66/52/588946652.db2.gz KWGLERKVYFDCHQ-KKOKHZNYSA-N 1 0 239.315 0.812 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000858334986 588947351 /nfs/dbraw/zinc/94/73/51/588947351.db2.gz JYYQHIZPRCOUKZ-LBPRGKRZSA-N 1 0 248.330 0.671 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897581267 584022043 /nfs/dbraw/zinc/02/20/43/584022043.db2.gz LQOCWLSSZQSCCR-CMPLNLGQSA-N 1 0 236.315 0.187 20 30 BCEDRO CC(C)(C)[N@@H+]1CC[C@H]1C(=O)NCCC#N ZINC000897592978 584023700 /nfs/dbraw/zinc/02/37/00/584023700.db2.gz XTJLHNXRSQDYHS-VIFPVBQESA-N 1 0 209.293 0.889 20 30 BCEDRO C[C@]1([NH2+]Cc2csc(C#N)c2)CCNC1=O ZINC000897866741 584055387 /nfs/dbraw/zinc/05/53/87/584055387.db2.gz GEXJMLIDFFOSCM-NSHDSACASA-N 1 0 235.312 0.988 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000898169289 584088119 /nfs/dbraw/zinc/08/81/19/584088119.db2.gz SEPPBOODYNCJJV-SDDRHHMPSA-N 1 0 235.331 0.946 20 30 BCEDRO C#CCSCC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000898588069 584143392 /nfs/dbraw/zinc/14/33/92/584143392.db2.gz VVOCFRHXZDDKAL-LLVKDONJSA-N 1 0 240.372 0.905 20 30 BCEDRO C=C1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000898705734 584152945 /nfs/dbraw/zinc/15/29/45/584152945.db2.gz MLLKWQGLDGRBNO-LLVKDONJSA-N 1 0 222.288 0.106 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)NC[C@H](C)[NH+](C)C ZINC000858517670 588962338 /nfs/dbraw/zinc/96/23/38/588962338.db2.gz IYGYMMPOHWRZRN-QWRGUYRKSA-N 1 0 241.335 0.274 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000898986948 584168456 /nfs/dbraw/zinc/16/84/56/584168456.db2.gz RKYDIMLEFFOGSY-NXEZZACHSA-N 1 0 226.320 0.522 20 30 BCEDRO C#CC(=O)N1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000899144652 584176836 /nfs/dbraw/zinc/17/68/36/584176836.db2.gz IZQGAVDGFHXDEB-JTQLQIEISA-N 1 0 206.289 0.562 20 30 BCEDRO C#CC(=O)N1CCCN(c2cc[nH+]cc2)CC1 ZINC000899175261 584179845 /nfs/dbraw/zinc/17/98/45/584179845.db2.gz VIWARSOHFVSUDH-UHFFFAOYSA-N 1 0 229.283 0.754 20 30 BCEDRO C#CCNC(=O)N1CC[C@H](C[NH3+])[C@H](C)C1 ZINC000899241877 584185662 /nfs/dbraw/zinc/18/56/62/584185662.db2.gz MPZKMUIKVLXQAJ-NXEZZACHSA-N 1 0 209.293 0.246 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H](C[NH3+])[C@H](C)C1 ZINC000899241880 584185837 /nfs/dbraw/zinc/18/58/37/584185837.db2.gz MPZKMUIKVLXQAJ-ZJUUUORDSA-N 1 0 209.293 0.246 20 30 BCEDRO CNC(NCc1cnn(CC2CCC2)c1)=[NH+]C ZINC000899262652 584190478 /nfs/dbraw/zinc/19/04/78/584190478.db2.gz PJBFKLARGBZFDI-UHFFFAOYSA-N 1 0 235.335 0.978 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])N[C@H](C)C2CC2)nn1 ZINC000899272168 584192295 /nfs/dbraw/zinc/19/22/95/584192295.db2.gz AVZQSASZNXBIPJ-SECBINFHSA-N 1 0 248.334 0.877 20 30 BCEDRO C#CCNC(=S)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000899640391 584222416 /nfs/dbraw/zinc/22/24/16/584222416.db2.gz FTRMTQIFHVZRET-PWSUYJOCSA-N 1 0 237.372 0.378 20 30 BCEDRO C=C(C)C(C)(C)C(=O)NCC[N@H+](C)CCO ZINC000899741423 584234440 /nfs/dbraw/zinc/23/44/40/584234440.db2.gz XDPQFRYUEOQGEH-UHFFFAOYSA-N 1 0 228.336 0.629 20 30 BCEDRO CON(C)C(=O)[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000858580701 588968753 /nfs/dbraw/zinc/96/87/53/588968753.db2.gz ULHPRDAHXQMVET-LPEHRKFASA-N 1 0 225.292 0.677 20 30 BCEDRO N#CCC1C[NH+](C[C@H](O)C2(O)CCC2)C1 ZINC000899892130 584248757 /nfs/dbraw/zinc/24/87/57/584248757.db2.gz NTLSHYGUWBWUET-JTQLQIEISA-N 1 0 210.277 0.108 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCCOC ZINC000899921205 584256411 /nfs/dbraw/zinc/25/64/11/584256411.db2.gz RECISUHQVVISJA-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1=NCCS1 ZINC000900005658 584264465 /nfs/dbraw/zinc/26/44/65/584264465.db2.gz FJGOEMOCWHIZPH-UHFFFAOYSA-N 1 0 227.333 0.713 20 30 BCEDRO CCc1nc(C#N)cc(SCC[NH3+])n1 ZINC000900021213 584267386 /nfs/dbraw/zinc/26/73/86/584267386.db2.gz GWLPYTMQQMRXPM-UHFFFAOYSA-N 1 0 208.290 0.961 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900169068 584281855 /nfs/dbraw/zinc/28/18/55/584281855.db2.gz QAAFPEROSUJWQE-YPMHNXCESA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC(=O)NCC ZINC000900271497 584291821 /nfs/dbraw/zinc/29/18/21/584291821.db2.gz ADHCSRZRELTXNV-UHFFFAOYSA-N 1 0 241.335 0.089 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C(=O)OCC ZINC000900333167 584294385 /nfs/dbraw/zinc/29/43/85/584294385.db2.gz HAXCQBCCXJFUFE-JTQLQIEISA-N 1 0 242.319 0.562 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCCOCC1 ZINC000900429385 584308408 /nfs/dbraw/zinc/30/84/08/584308408.db2.gz JAHKNKQWQVUYEF-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)CC#N ZINC000900434286 584310002 /nfs/dbraw/zinc/31/00/02/584310002.db2.gz ZKNXNRITFUFQLV-JTQLQIEISA-N 1 0 209.293 0.913 20 30 BCEDRO CN(CC#N)C(=O)[C@@H]1CC[C@@H]2CCCC[N@@H+]21 ZINC000900452540 584312947 /nfs/dbraw/zinc/31/29/47/584312947.db2.gz OPAKKHBNLSDAQA-QWRGUYRKSA-N 1 0 221.304 0.985 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1c[nH]ccc1=O ZINC000900526070 584319137 /nfs/dbraw/zinc/31/91/37/584319137.db2.gz SKADCYOWSVZKRK-UHFFFAOYSA-N 1 0 235.287 0.821 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1nccn1C ZINC000900564535 584325746 /nfs/dbraw/zinc/32/57/46/584325746.db2.gz YTNZFQRJDFZOJU-UHFFFAOYSA-N 1 0 236.319 0.544 20 30 BCEDRO C[NH2+][C@H](C)c1cn(Cc2cc(C#N)ccn2)nn1 ZINC000900629178 584333767 /nfs/dbraw/zinc/33/37/67/584333767.db2.gz RHWNADCJRKCSHO-SECBINFHSA-N 1 0 242.286 0.873 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C#N)C1CC1 ZINC000900636957 584334863 /nfs/dbraw/zinc/33/48/63/584334863.db2.gz BLOOSTXOGVGXCE-LLVKDONJSA-N 1 0 221.304 0.913 20 30 BCEDRO C#CCC(CC#C)C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000900666917 584337828 /nfs/dbraw/zinc/33/78/28/584337828.db2.gz QHWQPCPVYJASLJ-WCQYABFASA-N 1 0 232.327 0.858 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C(=O)N(C)C ZINC000900691236 584341876 /nfs/dbraw/zinc/34/18/76/584341876.db2.gz XHRIDUFXJAVNQM-JTQLQIEISA-N 1 0 241.335 0.087 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C(=O)N(C)C ZINC000900691238 584342001 /nfs/dbraw/zinc/34/20/01/584342001.db2.gz XHRIDUFXJAVNQM-SNVBAGLBSA-N 1 0 241.335 0.087 20 30 BCEDRO N#CC1(NC(=O)C2C[NH+](C3CCOCC3)C2)CC1 ZINC000900723287 584344954 /nfs/dbraw/zinc/34/49/54/584344954.db2.gz OLAXOGXSVMYQED-UHFFFAOYSA-N 1 0 249.314 0.270 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900743065 584348326 /nfs/dbraw/zinc/34/83/26/584348326.db2.gz WPUMEWMPSFDOLD-JBLDHEPKSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000900743064 584348355 /nfs/dbraw/zinc/34/83/55/584348355.db2.gz WPUMEWMPSFDOLD-HOSYDEDBSA-N 1 0 226.320 0.522 20 30 BCEDRO CC#CC[N@H+](CCOC)CCC(=O)OC ZINC000116325401 588976726 /nfs/dbraw/zinc/97/67/26/588976726.db2.gz SJABGQNRXMFXCS-UHFFFAOYSA-N 1 0 213.277 0.521 20 30 BCEDRO C#CCSCCNC(=O)C(=C)CC[NH+](C)C ZINC000900796082 584352625 /nfs/dbraw/zinc/35/26/25/584352625.db2.gz UVTGPDZFQSEWGP-UHFFFAOYSA-N 1 0 240.372 0.977 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCOC[C@H]1C#N ZINC000900849296 584357276 /nfs/dbraw/zinc/35/72/76/584357276.db2.gz XDHPQBMAUJBESJ-LLVKDONJSA-N 1 0 237.303 0.245 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CC[S@](C)=O ZINC000900885129 584361336 /nfs/dbraw/zinc/36/13/36/584361336.db2.gz VFKIBORKBWTVRW-HWPZZCPQSA-N 1 0 246.376 0.378 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CC[S@@](C)=O ZINC000900885130 584361358 /nfs/dbraw/zinc/36/13/58/584361358.db2.gz VFKIBORKBWTVRW-MGPLVRAMSA-N 1 0 246.376 0.378 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CCC[C@H]1O ZINC000900868177 584362940 /nfs/dbraw/zinc/36/29/40/584362940.db2.gz QZRCCRLXZBSKIE-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@](C)(O)CC ZINC000900900365 584364193 /nfs/dbraw/zinc/36/41/93/584364193.db2.gz JDMKIDMNRWDCPS-LBPRGKRZSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(C)(O)CC1 ZINC000901047336 584378618 /nfs/dbraw/zinc/37/86/18/584378618.db2.gz BMPSXZBONRRTLE-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](O)C(C)C ZINC000901073389 584381434 /nfs/dbraw/zinc/38/14/34/584381434.db2.gz RCJGMLIHKFTHSM-NSHDSACASA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](O)C(C)C ZINC000901073388 584381657 /nfs/dbraw/zinc/38/16/57/584381657.db2.gz RCJGMLIHKFTHSM-LLVKDONJSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@](C)(CO)C1CC1 ZINC000901098282 584385233 /nfs/dbraw/zinc/38/52/33/584385233.db2.gz GUANPFNRNFOJBD-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCCF ZINC000901113792 584385872 /nfs/dbraw/zinc/38/58/72/584385872.db2.gz HVEZXYAJFSGXBY-UHFFFAOYSA-N 1 0 202.273 0.970 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1cncnc1N ZINC000901133892 584389542 /nfs/dbraw/zinc/38/95/42/584389542.db2.gz ZRUAKVSGNDHENE-UHFFFAOYSA-N 1 0 249.318 0.183 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]C[C@H](C)N2)cnc1F ZINC000901217513 584401889 /nfs/dbraw/zinc/40/18/89/584401889.db2.gz XGYQMZANJZWHFM-QMMMGPOBSA-N 1 0 235.266 0.800 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ccnn1C ZINC000901219518 584402494 /nfs/dbraw/zinc/40/24/94/584402494.db2.gz CFHLWFDOSQWPAW-QMMMGPOBSA-N 1 0 207.281 0.770 20 30 BCEDRO COCCCNN=C(C)c1c[nH]c(N)[nH+]1 ZINC000901235018 584404889 /nfs/dbraw/zinc/40/48/89/584404889.db2.gz CMMFKNLUZMWUBX-UHFFFAOYSA-N 1 0 211.269 0.342 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1nccn1C1CC1 ZINC000901252913 584410045 /nfs/dbraw/zinc/41/00/45/584410045.db2.gz REUULYGLVIYWHZ-UHFFFAOYSA-N 1 0 218.264 0.101 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1cnn(CC2CCC2)c1 ZINC000901252490 584410382 /nfs/dbraw/zinc/41/03/82/584410382.db2.gz HKZGEFPHZGNVIO-UHFFFAOYSA-N 1 0 246.318 0.566 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@](C)(CC)CO ZINC000901225413 584412214 /nfs/dbraw/zinc/41/22/14/584412214.db2.gz RGNKLGPAEFSJPX-GFCCVEGCSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)c1ncon1 ZINC000901270180 584418850 /nfs/dbraw/zinc/41/88/50/584418850.db2.gz XKXPSPVQMVAROC-SECBINFHSA-N 1 0 238.291 0.755 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CO)C1CC1 ZINC000901294261 584423528 /nfs/dbraw/zinc/42/35/28/584423528.db2.gz HGEDYSFOJZHGRH-NSHDSACASA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@H](NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)C(=O)OC ZINC000901579971 584466941 /nfs/dbraw/zinc/46/69/41/584466941.db2.gz BBCBBGKZMODBQZ-USZNOCQGSA-N 1 0 237.299 0.895 20 30 BCEDRO C[C@@H]([NH2+]C[C@H](C)O)c1cc(C#N)ccn1 ZINC000902720431 584659191 /nfs/dbraw/zinc/65/91/91/584659191.db2.gz ICTVICDLDBHNBK-DTWKUNHWSA-N 1 0 205.261 0.985 20 30 BCEDRO C[C@H](CO)[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902761976 584666433 /nfs/dbraw/zinc/66/64/33/584666433.db2.gz CZXRHLRPIULQQE-BDAKNGLRSA-N 1 0 205.261 0.985 20 30 BCEDRO C[C@@H]([NH2+][C@@H](C)CO)c1cc(C#N)ccn1 ZINC000902820627 584675849 /nfs/dbraw/zinc/67/58/49/584675849.db2.gz CZXRHLRPIULQQE-DTWKUNHWSA-N 1 0 205.261 0.985 20 30 BCEDRO C#CCCOC(=O)NCC[N@@H+](C)CCOC ZINC000859120711 589005005 /nfs/dbraw/zinc/00/50/05/589005005.db2.gz FIKYKBZUTPJJBB-UHFFFAOYSA-N 1 0 228.292 0.314 20 30 BCEDRO COC[C@H](O)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902983460 584708814 /nfs/dbraw/zinc/70/88/14/584708814.db2.gz ZSGVRIWRQIZUCV-GXSJLCMTSA-N 1 0 235.287 0.611 20 30 BCEDRO C#CCCOC(=O)NCC[N@H+]1CC=CCC1 ZINC000859142331 589008728 /nfs/dbraw/zinc/00/87/28/589008728.db2.gz BFACFBVOOAERPO-UHFFFAOYSA-N 1 0 222.288 0.998 20 30 BCEDRO N#CC1(C[NH2+][C@H]2CCO[C@@]23CCOC3)CC1 ZINC000903218830 584737777 /nfs/dbraw/zinc/73/77/77/584737777.db2.gz DJIXPRNXRFMTFQ-CMPLNLGQSA-N 1 0 222.288 0.828 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N[C@H]1CC[NH2+]C12CCC2 ZINC000903467397 584774568 /nfs/dbraw/zinc/77/45/68/584774568.db2.gz AYYJCNQQGUQIQM-MNOVXSKESA-N 1 0 237.347 0.551 20 30 BCEDRO C=CCNC(=O)CN[C@H]1CC[NH2+]C12CCCC2 ZINC000903485102 584779513 /nfs/dbraw/zinc/77/95/13/584779513.db2.gz ICAJMHVRKPZQFE-NSHDSACASA-N 1 0 237.347 0.553 20 30 BCEDRO N#C[C@H]1CCCN(C[C@H]2CCC3(C[NH2+]C3)O2)C1 ZINC000903563706 584782246 /nfs/dbraw/zinc/78/22/46/584782246.db2.gz JXXKJXCWNKFLQJ-VXGBXAGGSA-N 1 0 235.331 0.743 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]2CC[C@]21C[NH3+] ZINC000903588844 584783452 /nfs/dbraw/zinc/78/34/52/584783452.db2.gz KZFFRUUDMSFPJW-MNOVXSKESA-N 1 0 244.360 0.706 20 30 BCEDRO C[C@@H]1C[NH2+]C[C@H]1CN1CCO[C@@](C)(C#N)C1 ZINC000903824615 584804309 /nfs/dbraw/zinc/80/43/09/584804309.db2.gz RWAGGSQPUZFAOM-WOPDTQHZSA-N 1 0 223.320 0.456 20 30 BCEDRO C[C@]1(C#N)CN(CC[C@H]2CC[NH2+]C2)CCO1 ZINC000903825041 584804390 /nfs/dbraw/zinc/80/43/90/584804390.db2.gz XJWWTEOJZVAQMU-NEPJUHHUSA-N 1 0 223.320 0.600 20 30 BCEDRO C[C@]1(C#N)CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903824919 584804723 /nfs/dbraw/zinc/80/47/23/584804723.db2.gz UYZXGLPGZAAXDC-WOPDTQHZSA-N 1 0 223.320 0.728 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC[C@H]3CC[C@]32CN)C1=O ZINC000903860999 584812105 /nfs/dbraw/zinc/81/21/05/584812105.db2.gz VHESNFLNVZBLIN-DYEKYZERSA-N 1 0 249.358 0.587 20 30 BCEDRO C=C(Cl)CN1CC[NH2+]C[C@H]1COC ZINC000903881871 584817610 /nfs/dbraw/zinc/81/76/10/584817610.db2.gz VAANQPBSHJDJKE-VIFPVBQESA-N 1 0 204.701 0.659 20 30 BCEDRO C#C[C@H]1COCCN1C[C@@H]([NH3+])CC(F)F ZINC000903929451 584824361 /nfs/dbraw/zinc/82/43/61/584824361.db2.gz GBKDLXSGIGAXFE-IUCAKERBSA-N 1 0 218.247 0.303 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2ccc(N)nn2)C1 ZINC000904373078 584874052 /nfs/dbraw/zinc/87/40/52/584874052.db2.gz APWAHCCNMLHIOU-DTWKUNHWSA-N 1 0 217.276 0.841 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)Cc1ccc(C#N)nc1 ZINC000877107750 584890435 /nfs/dbraw/zinc/89/04/35/584890435.db2.gz LDJFMAUYYXDBCI-VIFPVBQESA-N 1 0 232.287 0.301 20 30 BCEDRO NC(=O)CN[NH+]=C1CC[C@H]2CNc3cccc1c32 ZINC000814904101 584895068 /nfs/dbraw/zinc/89/50/68/584895068.db2.gz RAAYCSATLMOQNU-QMMMGPOBSA-N 1 0 244.298 0.769 20 30 BCEDRO C#CCNC(=S)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000758240786 584905191 /nfs/dbraw/zinc/90/51/91/584905191.db2.gz GPXZADGGXJTZNY-MWLCHTKSSA-N 1 0 237.372 0.566 20 30 BCEDRO CC(C)C#CC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000829299402 584906837 /nfs/dbraw/zinc/90/68/37/584906837.db2.gz JHYWZPWXVPVKPD-UHFFFAOYSA-N 1 0 238.331 0.219 20 30 BCEDRO C[C@H](OCC1CC1)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834493395 584913656 /nfs/dbraw/zinc/91/36/56/584913656.db2.gz DFPGFMWTQBHKOU-LSJOCFKGSA-N 1 0 237.303 0.029 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C=C1CCCC1 ZINC000834500177 584913670 /nfs/dbraw/zinc/91/36/70/584913670.db2.gz QOUFJVCHDPXBJK-WDEREUQCSA-N 1 0 219.288 0.715 20 30 BCEDRO C#CCNC(=O)CN1CCC[C@@H]([NH2+]C(C)C)C1 ZINC000731032542 584921532 /nfs/dbraw/zinc/92/15/32/584921532.db2.gz KEXSXVJPSCIOPC-GFCCVEGCSA-N 1 0 237.347 0.198 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@H]2CC[N@@H+](C)C2)cn1 ZINC000731233204 584924260 /nfs/dbraw/zinc/92/42/60/584924260.db2.gz SURCAVOGFVLLNC-LLVKDONJSA-N 1 0 243.310 0.744 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@](C)(CO)c1ccccc1 ZINC000731844817 584929640 /nfs/dbraw/zinc/92/96/40/584929640.db2.gz VZVRIMXLYWCFDA-AWEZNQCLSA-N 1 0 246.310 0.233 20 30 BCEDRO COCC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000732812009 584941373 /nfs/dbraw/zinc/94/13/73/584941373.db2.gz ZJLOFQRIPZWWON-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO C=CCNC(=S)N1CC[C@H](C[NH+](C)C)C1 ZINC000733208877 584945282 /nfs/dbraw/zinc/94/52/82/584945282.db2.gz DMLDTVHFDJZEDL-SNVBAGLBSA-N 1 0 227.377 0.930 20 30 BCEDRO C=CCNC(=S)N1CC[C@@H](C[NH+](C)C)C1 ZINC000733208876 584945322 /nfs/dbraw/zinc/94/53/22/584945322.db2.gz DMLDTVHFDJZEDL-JTQLQIEISA-N 1 0 227.377 0.930 20 30 BCEDRO C[C@H]1CN(CCOC(=O)C#CC2CC2)CCO1 ZINC000838366052 585054541 /nfs/dbraw/zinc/05/45/41/585054541.db2.gz GUPFLSRNEHXZQU-NSHDSACASA-N 1 0 237.299 0.664 20 30 BCEDRO C=CCONC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000838706866 585065478 /nfs/dbraw/zinc/06/54/78/585065478.db2.gz DFXINNIBNXJGGX-VIFPVBQESA-N 1 0 213.281 0.497 20 30 BCEDRO C=CCONC(=O)NCC[N@@H+](C)CCCOC ZINC000838706967 585065497 /nfs/dbraw/zinc/06/54/97/585065497.db2.gz XIOATLYTMBOUKI-UHFFFAOYSA-N 1 0 245.323 0.372 20 30 BCEDRO C=CCONC(=O)N(C)CC[NH+]1CCCC1 ZINC000838708079 585065948 /nfs/dbraw/zinc/06/59/48/585065948.db2.gz MSXLYOLMWUYNDX-UHFFFAOYSA-N 1 0 227.308 0.841 20 30 BCEDRO C=CCONC(=O)NCC[N@H+]1CC=CCC1 ZINC000838711626 585066696 /nfs/dbraw/zinc/06/66/96/585066696.db2.gz UKXZZSUCXODJDT-UHFFFAOYSA-N 1 0 225.292 0.665 20 30 BCEDRO C=CCONC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000838710864 585066824 /nfs/dbraw/zinc/06/68/24/585066824.db2.gz DNUYZXSMBLSTQX-UHFFFAOYSA-N 1 0 227.308 0.840 20 30 BCEDRO C=CCONC(=O)NC(C)(C)C[NH+](C)C ZINC000838715399 585067658 /nfs/dbraw/zinc/06/76/58/585067658.db2.gz SPXWQMWOIQQIRJ-UHFFFAOYSA-N 1 0 215.297 0.743 20 30 BCEDRO C#CCNC(=O)CN1CC[C@H](C[NH+]2CCCC2)C1 ZINC000739926906 585086403 /nfs/dbraw/zinc/08/64/03/585086403.db2.gz NAFWAHRZYSYWOV-CYBMUJFWSA-N 1 0 249.358 0.154 20 30 BCEDRO C#CC[C@H](NC1CC[NH+](CC)CC1)C(=O)OC ZINC000839169953 585095915 /nfs/dbraw/zinc/09/59/15/585095915.db2.gz WHVOQGTWTHUVHT-LBPRGKRZSA-N 1 0 238.331 0.625 20 30 BCEDRO CCO[C@@H]1CC(N=NC(N)=[NH2+])C12CCC2 ZINC000741160677 585110687 /nfs/dbraw/zinc/11/06/87/585110687.db2.gz XGXLFRLIJSAICY-MRVPVSSYSA-N 1 0 210.281 0.805 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccc(C)nn2)C1 ZINC000886209318 585112925 /nfs/dbraw/zinc/11/29/25/585112925.db2.gz KIEXOVDNCPDBSN-CQSZACIVSA-N 1 0 244.342 0.972 20 30 BCEDRO C[C@@H]1CC(=NN2CCOCC2)CC[N@@H+]1C ZINC000741451311 585114074 /nfs/dbraw/zinc/11/40/74/585114074.db2.gz FHLSLIYIEZDJBI-SNVBAGLBSA-N 1 0 211.309 0.789 20 30 BCEDRO NC(=[NH2+])NN=C1CCN(Cc2ccccc2)C1=O ZINC000743417174 585136408 /nfs/dbraw/zinc/13/64/08/585136408.db2.gz FTGQGTJIEYPTBR-UHFFFAOYSA-N 1 0 245.286 0.258 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)c2cocn2)CC1 ZINC000743493188 585137448 /nfs/dbraw/zinc/13/74/48/585137448.db2.gz IUBKMMAWMNTWIM-UHFFFAOYSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)c2cn[nH]c2)CC1 ZINC000743488174 585137519 /nfs/dbraw/zinc/13/75/19/585137519.db2.gz MHQXVGLHYJQBHP-UHFFFAOYSA-N 1 0 246.314 0.627 20 30 BCEDRO C=CCOCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000744346148 585149392 /nfs/dbraw/zinc/14/93/92/585149392.db2.gz WQFHTMWGAAZMLD-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCCCNC(=O)NCC[N@@H+](C)C1CC1 ZINC000745816519 585160865 /nfs/dbraw/zinc/16/08/65/585160865.db2.gz IDXKFCQPEUKNEI-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#Cc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)nc1 ZINC000747927890 585185826 /nfs/dbraw/zinc/18/58/26/585185826.db2.gz VJJHCCOHCCYFHT-UHFFFAOYSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@](C)(O)C1 ZINC000748507382 585193476 /nfs/dbraw/zinc/19/34/76/585193476.db2.gz GBQJBLVFMQUZIG-WCQYABFASA-N 1 0 236.315 0.067 20 30 BCEDRO CCN(CC)C(=O)CCCNC(NC)=[NH+]C ZINC000750542091 585217211 /nfs/dbraw/zinc/21/72/11/585217211.db2.gz XGBNTLUGYVFHHC-UHFFFAOYSA-N 1 0 228.340 0.430 20 30 BCEDRO CNC(NCCNC(=O)c1cccc(C)c1)=[NH+]C ZINC000750543313 585217281 /nfs/dbraw/zinc/21/72/81/585217281.db2.gz OEOSLUMIUYCLTG-UHFFFAOYSA-N 1 0 248.330 0.520 20 30 BCEDRO C=CCNC(=S)NCCN1CCO[C@@H](C)C1 ZINC000751014749 585223358 /nfs/dbraw/zinc/22/33/58/585223358.db2.gz LXHLTVHRNALHIV-JTQLQIEISA-N 1 0 243.376 0.357 20 30 BCEDRO COc1cc(C)c(C=NNC(N)=[NH2+])cc1OC ZINC000751517372 585231538 /nfs/dbraw/zinc/23/15/38/585231538.db2.gz RJPNCCKVJJDHRA-UHFFFAOYSA-N 1 0 236.275 0.829 20 30 BCEDRO C#CCOCCNC(=O)C[NH+]1[C@H](C)CC[C@H]1C ZINC000753227842 585255676 /nfs/dbraw/zinc/25/56/76/585255676.db2.gz PHBKHRVCRJFBRD-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCOCCNC(=O)[C@H]1CCCC[N@H+]1C ZINC000753240194 585255912 /nfs/dbraw/zinc/25/59/12/585255912.db2.gz OUFQXESRSAHNCB-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO Cn1nncc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753935035 585272428 /nfs/dbraw/zinc/27/24/28/585272428.db2.gz MDYCGLUMYLDRKM-UWVGGRQHSA-N 1 0 247.306 0.009 20 30 BCEDRO C#CC(=O)N(CCC#N)CCC[NH+](C)C ZINC000753958190 585273243 /nfs/dbraw/zinc/27/32/43/585273243.db2.gz HRGUFLQVFVYEQT-UHFFFAOYSA-N 1 0 207.277 0.314 20 30 BCEDRO C#CC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000753962225 585273540 /nfs/dbraw/zinc/27/35/40/585273540.db2.gz DQPPFSVBJBYHFY-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO C[C@H]1CC(=[NH+]n2cnnc2)CN1C1CC1 ZINC000753968346 585273985 /nfs/dbraw/zinc/27/39/85/585273985.db2.gz VLXFGMYPXOEXTN-QMMMGPOBSA-N 1 0 205.265 0.739 20 30 BCEDRO C#CC(=O)N(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000754027183 585275733 /nfs/dbraw/zinc/27/57/33/585275733.db2.gz GKKTZZYXVPUCLR-CYBMUJFWSA-N 1 0 249.358 0.247 20 30 BCEDRO C#CC(=O)NC[C@H]1CC[N@@H+](CC(C)C)C1 ZINC000754068265 585277347 /nfs/dbraw/zinc/27/73/47/585277347.db2.gz DSGNATBDHBBLOL-LLVKDONJSA-N 1 0 208.305 0.714 20 30 BCEDRO C#CCNC(=O)CN1CC[NH+](C[C@@H]2C[C@H]2C)CC1 ZINC000754105788 585278722 /nfs/dbraw/zinc/27/87/22/585278722.db2.gz PIYBSCVTSHXNBC-OLZOCXBDSA-N 1 0 249.358 0.009 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CC[N@@H+](CC)[C@@H](C)C1 ZINC000754388049 585283826 /nfs/dbraw/zinc/28/38/26/585283826.db2.gz SJRRHJMVIZBUAL-NWDGAFQWSA-N 1 0 237.347 0.150 20 30 BCEDRO CC[C@H]([NH2+]CC(=O)NCCC#N)[C@H]1CCCO1 ZINC000754522224 585285607 /nfs/dbraw/zinc/28/56/07/585285607.db2.gz YHJJYEDGAGXOGM-WDEREUQCSA-N 1 0 239.319 0.563 20 30 BCEDRO C#CCOCCC(=O)NC[C@H](C)[NH+](C)C ZINC000755485957 585300598 /nfs/dbraw/zinc/30/05/98/585300598.db2.gz RNNFJNLJNHFSIY-JTQLQIEISA-N 1 0 212.293 0.093 20 30 BCEDRO COc1cc2c(c(C=NNC(N)=[NH2+])c1)O[C@H](C)C2 ZINC000755631806 585302897 /nfs/dbraw/zinc/30/28/97/585302897.db2.gz AARYSCAQWYTEAJ-SSDOTTSWSA-N 1 0 248.286 0.836 20 30 BCEDRO CC[C@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000755994486 585312176 /nfs/dbraw/zinc/31/21/76/585312176.db2.gz HPFASKUEXRRGEJ-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000756902925 585324893 /nfs/dbraw/zinc/32/48/93/585324893.db2.gz FCEBSIQHBXQCAO-GFCCVEGCSA-N 1 0 237.303 0.129 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000756902974 585325093 /nfs/dbraw/zinc/32/50/93/585325093.db2.gz XQZDWPRTGSVXTD-VXGBXAGGSA-N 1 0 236.315 0.237 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCN(C(=O)OC)CC1 ZINC000757649528 585343738 /nfs/dbraw/zinc/34/37/38/585343738.db2.gz IZIQLJCZKTWQGI-SNVBAGLBSA-N 1 0 228.292 0.307 20 30 BCEDRO CCOC(=O)[C@H]1CCC(N=NC(N)=[NH2+])C[C@@H]1C ZINC000758097838 585349084 /nfs/dbraw/zinc/34/90/84/585349084.db2.gz HPXLZOLIXWASDB-CBAPKCEASA-N 1 0 240.307 0.825 20 30 BCEDRO Cc1cc([N+](=O)[O-])ccc1C=NNC(N)=[NH2+] ZINC000758103038 585349158 /nfs/dbraw/zinc/34/91/58/585349158.db2.gz FGVSQDLAQRFURZ-UHFFFAOYSA-N 1 0 221.220 0.720 20 30 BCEDRO C#CCNC(=S)N1CC[NH+](CC(C)C)CC1 ZINC000758179855 585351123 /nfs/dbraw/zinc/35/11/23/585351123.db2.gz HTKKOPNUBFNGPJ-UHFFFAOYSA-N 1 0 239.388 0.768 20 30 BCEDRO C#CCNC(=S)N(C)C1CC[NH+](CC)CC1 ZINC000758186037 585351136 /nfs/dbraw/zinc/35/11/36/585351136.db2.gz MRCHYKGHHYPSJD-UHFFFAOYSA-N 1 0 239.388 0.910 20 30 BCEDRO C#CCNC(=S)NC1CC[NH+](C2CC2)CC1 ZINC000758185531 585351212 /nfs/dbraw/zinc/35/12/12/585351212.db2.gz KHDPXZHKYKDSSK-UHFFFAOYSA-N 1 0 237.372 0.711 20 30 BCEDRO C#CCNC(=S)NC[C@@H](C)[NH+]1CCCC1 ZINC000758187422 585351359 /nfs/dbraw/zinc/35/13/59/585351359.db2.gz AICHUSLHPIKXJB-SNVBAGLBSA-N 1 0 225.361 0.568 20 30 BCEDRO C#CCNC(=S)N1CC[C@@H]([NH+]2CCCC2)C1 ZINC000758218382 585352209 /nfs/dbraw/zinc/35/22/09/585352209.db2.gz WQRWLIVGTUIFEK-LLVKDONJSA-N 1 0 237.372 0.664 20 30 BCEDRO C[C@H]1CN(Cn2cccc(C#N)c2=O)CCCO1 ZINC000758223648 585352215 /nfs/dbraw/zinc/35/22/15/585352215.db2.gz OTXUUHBOXWKQML-NSHDSACASA-N 1 0 247.298 0.788 20 30 BCEDRO C[C@H](CO)N[NH+]=Cc1ccc(N2CCCC2)nc1 ZINC000758377722 585355196 /nfs/dbraw/zinc/35/51/96/585355196.db2.gz CFDDXEQLTVRKTF-LLVKDONJSA-N 1 0 248.330 0.986 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CCC2(CCC2)C1 ZINC000758739593 585359427 /nfs/dbraw/zinc/35/94/27/585359427.db2.gz QVPGYZDKKNXDCI-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C#CCC[N@@H+](C)C[C@@H](O)COCCOC(C)C ZINC000760833852 585398754 /nfs/dbraw/zinc/39/87/54/585398754.db2.gz VFZVCAKNOQIVEN-CYBMUJFWSA-N 1 0 243.347 0.744 20 30 BCEDRO C#CCC[NH+]1CCC([C@@H](O)C(=O)OC)CC1 ZINC000760877535 585400597 /nfs/dbraw/zinc/40/05/97/585400597.db2.gz WNLAPAXENPZFJA-LLVKDONJSA-N 1 0 225.288 0.256 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000760895737 585401439 /nfs/dbraw/zinc/40/14/39/585401439.db2.gz CTHOWFKFDBXIHM-LBPRGKRZSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCOCC[N@@H+](C)CC1(O)CCOCC1 ZINC000761109975 585408613 /nfs/dbraw/zinc/40/86/13/585408613.db2.gz RDQAKNQMOJMCFP-UHFFFAOYSA-N 1 0 227.304 0.110 20 30 BCEDRO C#CCOCCc1nc(Cc2cncn2C)no1 ZINC000762410987 585431586 /nfs/dbraw/zinc/43/15/86/585431586.db2.gz LDRSPILQTUNZCJ-UHFFFAOYSA-N 1 0 246.270 0.586 20 30 BCEDRO C#CCSCCNC(=O)C1([NH+](C)C)CCC1 ZINC000763050964 585442420 /nfs/dbraw/zinc/44/24/20/585442420.db2.gz DEWBSOOJWTXSGH-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO CC[NH+](CC)CC(=O)NC1=NO[C@@H](C)C1 ZINC000763257129 585445292 /nfs/dbraw/zinc/44/52/92/585445292.db2.gz AJCQSICZYFTVDC-QMMMGPOBSA-N 1 0 213.281 0.567 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1CC2(CC2)C(=O)O1)[C@@H]1CCCO1 ZINC000763780909 585454179 /nfs/dbraw/zinc/45/41/79/585454179.db2.gz OFKLTURGDNJEKW-SRVKXCTJSA-N 1 0 249.310 0.853 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccncc1 ZINC000763898894 585456570 /nfs/dbraw/zinc/45/65/70/585456570.db2.gz LXYVRGAJGXLIOC-UHFFFAOYSA-N 1 0 219.288 0.816 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)C[C@@H]1CCOC1 ZINC000764198426 585461427 /nfs/dbraw/zinc/46/14/27/585461427.db2.gz YETZFFNOUJXSOZ-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)CCC(=O)OC ZINC000764416042 585465122 /nfs/dbraw/zinc/46/51/22/585465122.db2.gz GLMDEZPENVDYKY-UHFFFAOYSA-N 1 0 242.319 0.516 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC(=O)OCC1CC1 ZINC000764473220 585466196 /nfs/dbraw/zinc/46/61/96/585466196.db2.gz QWXYSVNNLOUNCJ-UHFFFAOYSA-N 1 0 240.303 0.174 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CC[C@H](C2CC2)C1 ZINC000764482895 585466413 /nfs/dbraw/zinc/46/64/13/585466413.db2.gz COTCJHJMINTFSN-NSHDSACASA-N 1 0 221.304 0.748 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)c1cnn(C)c1 ZINC000764563031 585467816 /nfs/dbraw/zinc/46/78/16/585467816.db2.gz GFXUKBQPZQPYEK-UHFFFAOYSA-N 1 0 222.292 0.501 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](C)C[C@@H](C)O ZINC000764552456 585467916 /nfs/dbraw/zinc/46/79/16/585467916.db2.gz QDFDXBHDMSNOHO-GXSJLCMTSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@]2(CCOC2)C1 ZINC000764609723 585468845 /nfs/dbraw/zinc/46/88/45/585468845.db2.gz KZJSTYRSTHPVGS-ZDUSSCGKSA-N 1 0 238.331 0.743 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@]2(CCOC2)C1 ZINC000764609719 585468919 /nfs/dbraw/zinc/46/89/19/585468919.db2.gz KZJSTYRSTHPVGS-CYBMUJFWSA-N 1 0 238.331 0.743 20 30 BCEDRO CC[C@H](C(=O)NC1=NO[C@@H](C)C1)[NH+](C)C ZINC000765383437 585484966 /nfs/dbraw/zinc/48/49/66/585484966.db2.gz IDRHLTWYZCTMME-JGVFFNPUSA-N 1 0 213.281 0.565 20 30 BCEDRO CC[C@H](C(=O)NC1=NO[C@H](C)C1)[NH+](C)C ZINC000765383436 585485068 /nfs/dbraw/zinc/48/50/68/585485068.db2.gz IDRHLTWYZCTMME-HTQZYQBOSA-N 1 0 213.281 0.565 20 30 BCEDRO C#CCNC(=S)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000765509186 585488821 /nfs/dbraw/zinc/48/88/21/585488821.db2.gz BZLHDOMDCPDKFE-MNOVXSKESA-N 1 0 239.388 0.909 20 30 BCEDRO Cc1nn2c(C=NNC(N)=[NH2+])c(C)nc2s1 ZINC000765573504 585490030 /nfs/dbraw/zinc/49/00/30/585490030.db2.gz WHJNCSFEJXDBBE-UHFFFAOYSA-N 1 0 237.292 0.225 20 30 BCEDRO C[C@H](C#N)CNN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000765582132 585490134 /nfs/dbraw/zinc/49/01/34/585490134.db2.gz CAWMXEHJBAQHNB-KOLCDFICSA-N 1 0 206.293 0.960 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1ccccn1 ZINC000766736600 585507205 /nfs/dbraw/zinc/50/72/05/585507205.db2.gz ZAXJGSUJWLFKOH-LLVKDONJSA-N 1 0 231.299 0.872 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000805335014 585508436 /nfs/dbraw/zinc/50/84/36/585508436.db2.gz NJJAMJMIZVERQK-NEPJUHHUSA-N 1 0 238.331 0.620 20 30 BCEDRO CON=CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000805335756 585508684 /nfs/dbraw/zinc/50/86/84/585508684.db2.gz YTSQRNIBQJAZDS-MNOVXSKESA-N 1 0 239.319 0.704 20 30 BCEDRO C#CCCCN1CCO[C@H](C[NH+](C)C)C1 ZINC000766898933 585510292 /nfs/dbraw/zinc/51/02/92/585510292.db2.gz KYKPKLAYSYMAIY-GFCCVEGCSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCCC[N@@H+](C)C[C@H]1CCS(=O)(=O)C1 ZINC000766902524 585510594 /nfs/dbraw/zinc/51/05/94/585510594.db2.gz JUQQFRJCYNKVDJ-LLVKDONJSA-N 1 0 229.345 0.766 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000767120451 585514490 /nfs/dbraw/zinc/51/44/90/585514490.db2.gz SPFBSIRMQVGDIS-LLVKDONJSA-N 1 0 236.319 0.921 20 30 BCEDRO CC(CC[NH+](C)C)=NNS(=O)(=O)C(C)C ZINC000767381314 585518723 /nfs/dbraw/zinc/51/87/23/585518723.db2.gz YPJFMEAJROXZEP-UHFFFAOYSA-N 1 0 235.353 0.642 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1CC(=O)NCCC#N ZINC000768765867 585543009 /nfs/dbraw/zinc/54/30/09/585543009.db2.gz VNXHLHZFULTWOG-GHMZBOCLSA-N 1 0 238.335 0.041 20 30 BCEDRO C#CCOCCC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000768845373 585544637 /nfs/dbraw/zinc/54/46/37/585544637.db2.gz HZQBAVVAVMRFEM-NWDGAFQWSA-N 1 0 238.331 0.577 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccccc1N(C)C ZINC000769570627 585559580 /nfs/dbraw/zinc/55/95/80/585559580.db2.gz SQMMGPZTEOQLJC-UHFFFAOYSA-N 1 0 219.292 0.960 20 30 BCEDRO C#CC(=O)NCC[N@H+]1CCCC(C)(C)C1 ZINC000769707536 585562210 /nfs/dbraw/zinc/56/22/10/585562210.db2.gz KAVRRYHVFOVBNB-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CCC12CCOCC2 ZINC000769891379 585565964 /nfs/dbraw/zinc/56/59/64/585565964.db2.gz CAWREDXIAFXAAD-UHFFFAOYSA-N 1 0 237.303 0.271 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@]1(CO)CCC ZINC000769912187 585566111 /nfs/dbraw/zinc/56/61/11/585566111.db2.gz CHSXPYHBFHVNSF-CYBMUJFWSA-N 1 0 238.331 0.363 20 30 BCEDRO C#C[C@H](C)[N@H+](C)Cc1ccn(C)c(=O)c1 ZINC000769962617 585567818 /nfs/dbraw/zinc/56/78/18/585567818.db2.gz GLMXGPBFOWKUGY-JTQLQIEISA-N 1 0 204.273 0.839 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCCN1CCOC1=O ZINC000769963519 585567959 /nfs/dbraw/zinc/56/79/59/585567959.db2.gz VTUNWHBPPCGSDY-JTQLQIEISA-N 1 0 210.277 0.782 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@@H](C)C[NH+](C)C ZINC000805427107 585592250 /nfs/dbraw/zinc/59/22/50/585592250.db2.gz ZOHUZZXBACFCHM-RYUDHWBXSA-N 1 0 237.347 0.150 20 30 BCEDRO C[C@@H]1[C@@H](C)[N@H+](C)CCN1CC(=O)NCCC#N ZINC000771463832 585594826 /nfs/dbraw/zinc/59/48/26/585594826.db2.gz ZRPZJBJXUJAMEJ-GHMZBOCLSA-N 1 0 238.335 0.041 20 30 BCEDRO C=CCN(CC(=O)NCCC#N)C1CC1 ZINC000772381084 585613673 /nfs/dbraw/zinc/61/36/73/585613673.db2.gz HTOMVYFTTJLLDI-UHFFFAOYSA-N 1 0 207.277 0.667 20 30 BCEDRO NC(=[NH2+])NN=Cc1ncc(C2OCCO2)s1 ZINC000773033001 585629824 /nfs/dbraw/zinc/62/98/24/585629824.db2.gz AIMCAHLQVSZYQR-UHFFFAOYSA-N 1 0 241.276 0.005 20 30 BCEDRO CON=CC(=O)N1CC[NH+](C(C)C)CC1 ZINC000773772135 585643691 /nfs/dbraw/zinc/64/36/91/585643691.db2.gz JUMBSVLVSXOARF-UHFFFAOYSA-N 1 0 213.281 0.171 20 30 BCEDRO C=C(CO)C(=O)NCC[N@H+]1CCC[C@H](C)C1 ZINC000773806505 585644242 /nfs/dbraw/zinc/64/42/42/585644242.db2.gz AYRIHJQHFVRKKQ-JTQLQIEISA-N 1 0 226.320 0.383 20 30 BCEDRO CON=CC(=O)NCC[NH+]1CCC(C)CC1 ZINC000773809196 585644256 /nfs/dbraw/zinc/64/42/56/585644256.db2.gz XEIRNOIWRKASFL-UHFFFAOYSA-N 1 0 227.308 0.467 20 30 BCEDRO CCC[NH+]1CCC(N(C)C(=O)C=NOC)CC1 ZINC000773855966 585645067 /nfs/dbraw/zinc/64/50/67/585645067.db2.gz VMARPSUXMBCUFX-UHFFFAOYSA-N 1 0 241.335 0.951 20 30 BCEDRO CC[N@@H+]1CC[C@@H](N(C)C(=O)C=NOC)[C@H](C)C1 ZINC000773990909 585647948 /nfs/dbraw/zinc/64/79/48/585647948.db2.gz HNXHISHRPIPSOW-GHMZBOCLSA-N 1 0 241.335 0.807 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCOC2(CCC2)C1 ZINC000774094330 585650069 /nfs/dbraw/zinc/65/00/69/585650069.db2.gz XESLYBIQQXQLMZ-UHFFFAOYSA-N 1 0 238.331 0.886 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCOC[C@H]1C1CC1 ZINC000774094459 585650153 /nfs/dbraw/zinc/65/01/53/585650153.db2.gz YNQHJFAONUFXGK-LBPRGKRZSA-N 1 0 238.331 0.742 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)C(=O)N(C)CC ZINC000774094642 585650376 /nfs/dbraw/zinc/65/03/76/585650376.db2.gz FQSYNVOLSXWPPB-SNVBAGLBSA-N 1 0 241.335 0.087 20 30 BCEDRO C#CCOCCOC(=O)[C@@H]1CCCCN1C ZINC000774193344 585653310 /nfs/dbraw/zinc/65/33/10/585653310.db2.gz ZQFBXPJSZOLQOT-NSHDSACASA-N 1 0 225.288 0.664 20 30 BCEDRO CON=CC(=O)NCCC[NH+]1CCC(C)CC1 ZINC000774324638 585656388 /nfs/dbraw/zinc/65/63/88/585656388.db2.gz UHNNGILPEVCYGZ-UHFFFAOYSA-N 1 0 241.335 0.857 20 30 BCEDRO C#C[C@H]([NH2+]C1CCN(C=O)CC1)[C@H]1CCCO1 ZINC000774365426 585657075 /nfs/dbraw/zinc/65/70/75/585657075.db2.gz ZZPHELNVPQZJCL-QWHCGFSZSA-N 1 0 236.315 0.378 20 30 BCEDRO CC[N@@H+]1CCC(=NN=c2cc[nH]n2C)[C@H](C)C1 ZINC000774411320 585657844 /nfs/dbraw/zinc/65/78/44/585657844.db2.gz SIBLFNBWFJXIHB-SNVBAGLBSA-N 1 0 235.335 0.972 20 30 BCEDRO CCOCCON=C1C[N@H+](C)C[C@@H]1C ZINC000774436704 585658756 /nfs/dbraw/zinc/65/87/56/585658756.db2.gz UTTKWHNSSNXTGM-VIFPVBQESA-N 1 0 200.282 0.977 20 30 BCEDRO CON=CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000774440261 585659162 /nfs/dbraw/zinc/65/91/62/585659162.db2.gz VDMQABYIJXYOTO-NXEZZACHSA-N 1 0 227.308 0.560 20 30 BCEDRO CON=CC(=O)N1CC[C@@H]2[C@@H](CCC[N@@H+]2C)C1 ZINC000774441665 585659278 /nfs/dbraw/zinc/65/92/78/585659278.db2.gz NFHNQCRFLRBNQN-WDEREUQCSA-N 1 0 239.319 0.561 20 30 BCEDRO C#CCC[N@@H+](C)CCN(C)C1CC[NH+](C)CC1 ZINC000774728411 585664181 /nfs/dbraw/zinc/66/41/81/585664181.db2.gz MKPRNMGYUYSIOT-UHFFFAOYSA-N 1 0 237.391 0.968 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000774858990 585667871 /nfs/dbraw/zinc/66/78/71/585667871.db2.gz YOPYKVNGCXCSFK-ZDUSSCGKSA-N 1 0 246.310 0.449 20 30 BCEDRO C#C[C@H](NC(=O)C[N@@H+](C)CCC)[C@@H]1CCCO1 ZINC000775322355 585675594 /nfs/dbraw/zinc/67/55/94/585675594.db2.gz CCTWRVFSKOAAIU-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@@H](NC(=O)C[NH+](CC)CC)[C@H]1CCCO1 ZINC000775346036 585676274 /nfs/dbraw/zinc/67/62/74/585676274.db2.gz AXMRCTVULWREGC-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1cnn(C)c1C)[C@@H]1CCCO1 ZINC000775352959 585676610 /nfs/dbraw/zinc/67/66/10/585676610.db2.gz YTYGBVQTPSDVKR-OLZOCXBDSA-N 1 0 233.315 0.999 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)c1nccn1C ZINC000775379698 585676895 /nfs/dbraw/zinc/67/68/95/585676895.db2.gz FEWRUQLIRWDKPK-SNVBAGLBSA-N 1 0 234.303 0.210 20 30 BCEDRO CCCC[N@H+](CCCO)CC(=O)NCCC#N ZINC000775560167 585679414 /nfs/dbraw/zinc/67/94/14/585679414.db2.gz COKXRIHVFXTTPB-UHFFFAOYSA-N 1 0 241.335 0.501 20 30 BCEDRO C#C[C@@H]([NH2+]CCN1CCOCC1)[C@@H]1CCCO1 ZINC000775789688 585684706 /nfs/dbraw/zinc/68/47/06/585684706.db2.gz MYBXQOBIFUHKFP-OLZOCXBDSA-N 1 0 238.331 0.089 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)Cn1cccn1)[C@H]1CCCO1 ZINC000775789140 585684826 /nfs/dbraw/zinc/68/48/26/585684826.db2.gz AXNGHXATUKNYOZ-RWMBFGLXSA-N 1 0 249.314 0.014 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)NC(C)C)[C@@H]1CCCO1 ZINC000775789201 585685011 /nfs/dbraw/zinc/68/50/11/585685011.db2.gz KZJPPHJHISTXCD-RYUDHWBXSA-N 1 0 238.331 0.672 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1cnn(C)c1)[C@H]1CCCO1 ZINC000775797820 585685041 /nfs/dbraw/zinc/68/50/41/585685041.db2.gz DZTDJJUUFDVCIZ-CHWSQXEVSA-N 1 0 233.315 0.733 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)COC(C)C)[C@@H]1CCCO1 ZINC000775799740 585685057 /nfs/dbraw/zinc/68/50/57/585685057.db2.gz MKOPZQSXJQNHJX-AGIUHOORSA-N 1 0 241.331 0.543 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)C(=O)NCC=C)[C@H]1CCCO1 ZINC000775801399 585685488 /nfs/dbraw/zinc/68/54/88/585685488.db2.gz XSIXOPRMMWFJTP-GRYCIOLGSA-N 1 0 236.315 0.448 20 30 BCEDRO C=C(C)C[N@@H+](CC)[C@@H]1CCC(=O)NC1=O ZINC000776103708 585690090 /nfs/dbraw/zinc/69/00/90/585690090.db2.gz YJGFVVQACJLADL-SECBINFHSA-N 1 0 210.277 0.690 20 30 BCEDRO C[C@H]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C)=NO1 ZINC000777434763 585712110 /nfs/dbraw/zinc/71/21/10/585712110.db2.gz AWIUFANKBMGCNR-YUMQZZPRSA-N 1 0 211.265 0.319 20 30 BCEDRO COC[C@@H](C)N=NC1CC[N@@H+]2CCC[C@@H]12 ZINC000777894047 585722477 /nfs/dbraw/zinc/72/24/77/585722477.db2.gz FMHHGBLIHPLDRQ-KOLCDFICSA-N 1 0 211.309 0.835 20 30 BCEDRO C#CCCN1CC[NH+](C[C@H](O)CSC)CC1 ZINC000778096743 585725610 /nfs/dbraw/zinc/72/56/10/585725610.db2.gz YXWNERLEPYJDHO-LBPRGKRZSA-N 1 0 242.388 0.351 20 30 BCEDRO C#CCCC[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000778358322 585732257 /nfs/dbraw/zinc/73/22/57/585732257.db2.gz XPJOCAYLCSNDFF-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1cn(C)nn1)[C@H]1CCCO1 ZINC000859258874 589025124 /nfs/dbraw/zinc/02/51/24/589025124.db2.gz VPRVVIBQZSPGLE-VXGBXAGGSA-N 1 0 234.303 0.128 20 30 BCEDRO CCOc1cccc(C=NNC2=[NH+]C[C@@H](C)N2)n1 ZINC000779783257 585762946 /nfs/dbraw/zinc/76/29/46/585762946.db2.gz IPNQUIQBFMIVMH-SECBINFHSA-N 1 0 247.302 0.752 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]C[C@H](C)N2)c(C)[nH]1 ZINC000779791652 585763715 /nfs/dbraw/zinc/76/37/15/585763715.db2.gz DWBWVJKJAZQHHI-QMMMGPOBSA-N 1 0 219.292 0.903 20 30 BCEDRO C[C@@H]1CNC(NN=CC2CCOCC2)=[NH+]1 ZINC000779791212 585763867 /nfs/dbraw/zinc/76/38/67/585763867.db2.gz HWUGTCRVYYOSGU-MRVPVSSYSA-N 1 0 210.281 0.336 20 30 BCEDRO CCc1ncc(C=NNC2=[NH+]C[C@@H](C)N2)s1 ZINC000779793924 585764065 /nfs/dbraw/zinc/76/40/65/585764065.db2.gz CFWYKAXKIMAIDD-SSDOTTSWSA-N 1 0 237.332 0.977 20 30 BCEDRO COc1ccc(O)c(C=NNC2=[NH+]C[C@H](C)N2)c1 ZINC000779795533 585764358 /nfs/dbraw/zinc/76/43/58/585764358.db2.gz VPTHCXGJIQTQRZ-QMMMGPOBSA-N 1 0 248.286 0.672 20 30 BCEDRO COc1ccccc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779799620 585764619 /nfs/dbraw/zinc/76/46/19/585764619.db2.gz KVAACTQFCVKNDV-SECBINFHSA-N 1 0 232.287 0.966 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1nccs1 ZINC000779803338 585764939 /nfs/dbraw/zinc/76/49/39/585764939.db2.gz PIUUZZRMHSNOPR-LURJTMIESA-N 1 0 223.305 0.804 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cccc(C(N)=O)c2)N1 ZINC000779801811 585765040 /nfs/dbraw/zinc/76/50/40/585765040.db2.gz YEMCNNJEXDLHAY-MRVPVSSYSA-N 1 0 245.286 0.057 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)[C@@H]1CCCO1 ZINC000859257425 589025317 /nfs/dbraw/zinc/02/53/17/589025317.db2.gz BBBRUDSTRLQOEV-AVGNSLFASA-N 1 0 248.326 0.812 20 30 BCEDRO C#CCCNC(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000781395167 585795454 /nfs/dbraw/zinc/79/54/54/585795454.db2.gz MXKGFGMCZHGACW-LLVKDONJSA-N 1 0 235.331 0.959 20 30 BCEDRO C#CCCN1CC[N@@H+](CC(C)(C)O)C[C@@H]1C ZINC000781942361 585805751 /nfs/dbraw/zinc/80/57/51/585805751.db2.gz AECCTTGTUBPLFN-LBPRGKRZSA-N 1 0 224.348 0.787 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000782620828 585823110 /nfs/dbraw/zinc/82/31/10/585823110.db2.gz UYSXEQGOONAOLO-SNVBAGLBSA-N 1 0 223.320 0.792 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1nccnc1C ZINC000783523702 585835957 /nfs/dbraw/zinc/83/59/57/585835957.db2.gz IJYPYXIYTPBPHP-ZETCQYMHSA-N 1 0 232.291 0.446 20 30 BCEDRO C#CCOCCC(=O)NCC1([NH+](C)C)CCC1 ZINC000783749945 585841894 /nfs/dbraw/zinc/84/18/94/585841894.db2.gz LUAYGUSMKFIFNY-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO NC(=[NH2+])NN=C1CCOc2c(F)ccc(F)c21 ZINC000783823266 585844193 /nfs/dbraw/zinc/84/41/93/585844193.db2.gz FCJHQTUHFOZETG-UHFFFAOYSA-N 1 0 240.213 0.934 20 30 BCEDRO C#CCOCCNC(=O)NC1CC[NH+](C)CC1 ZINC000784353440 585856607 /nfs/dbraw/zinc/85/66/07/585856607.db2.gz LHXCFGBQPZOHNT-UHFFFAOYSA-N 1 0 239.319 0.030 20 30 BCEDRO N#CCCC[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000784621171 585865116 /nfs/dbraw/zinc/86/51/16/585865116.db2.gz GCTTWMNMJGEZIT-UHFFFAOYSA-N 1 0 247.298 0.944 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1ccnc(N)c1)[C@@H]1CCCO1 ZINC000785814400 585881253 /nfs/dbraw/zinc/88/12/53/585881253.db2.gz NBGSCCTVGWTUAI-NEPJUHHUSA-N 1 0 231.299 0.934 20 30 BCEDRO C[NH+](C)CCNC(=S)N1CC[C@](F)(C#N)C1 ZINC000786090967 585887029 /nfs/dbraw/zinc/88/70/29/585887029.db2.gz NPHMEHCWNQBOAJ-JTQLQIEISA-N 1 0 244.339 0.360 20 30 BCEDRO N#CCCNC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000787370963 585908023 /nfs/dbraw/zinc/90/80/23/585908023.db2.gz SOYTVERVHZPLKC-GHMZBOCLSA-N 1 0 236.319 0.826 20 30 BCEDRO CC#CC(=O)N1CCC(OCC[NH+](C)C)CC1 ZINC000788297985 585921199 /nfs/dbraw/zinc/92/11/99/585921199.db2.gz GSZGHZWCPJMURY-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO C[C@@H]1CC(=NN[C@H]2CCOC2)CC[N@@H+]1C ZINC000788444909 585923829 /nfs/dbraw/zinc/92/38/29/585923829.db2.gz FQERIDLCFDHBMQ-KOLCDFICSA-N 1 0 211.309 0.835 20 30 BCEDRO CCN(C)c1ccc(C=[NH+]NCCCO)cn1 ZINC000790162183 585959041 /nfs/dbraw/zinc/95/90/41/585959041.db2.gz RIVKPFOVOYLNCR-UHFFFAOYSA-N 1 0 236.319 0.844 20 30 BCEDRO CC(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1ncc[nH]1 ZINC000790171807 585959340 /nfs/dbraw/zinc/95/93/40/585959340.db2.gz IHMYIVTZUMKWPX-NXEZZACHSA-N 1 0 246.318 0.994 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1nccn1C ZINC000790301688 585962972 /nfs/dbraw/zinc/96/29/72/585962972.db2.gz HBCAXUYRXJCBFV-QMMMGPOBSA-N 1 0 207.281 0.770 20 30 BCEDRO C[C@H]1CC(N=Nc2nccn2C)C[N@@H+]1C ZINC000790305264 585963492 /nfs/dbraw/zinc/96/34/92/585963492.db2.gz HIPCGXUUXRAZQN-QMMMGPOBSA-N 1 0 207.281 0.912 20 30 BCEDRO C=CCCCNC(=S)NCC[NH+](C)C ZINC000790604044 585966855 /nfs/dbraw/zinc/96/68/55/585966855.db2.gz RTNRFRFOUMYHHJ-UHFFFAOYSA-N 1 0 215.366 0.978 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CCC(=O)OCC ZINC000791363282 585978932 /nfs/dbraw/zinc/97/89/32/585978932.db2.gz HCPDNARGXFDXCL-UHFFFAOYSA-N 1 0 242.319 0.516 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@H]1CCC[C@H]1O ZINC000791388604 585980043 /nfs/dbraw/zinc/98/00/43/585980043.db2.gz AMTJEMQYDVIIKA-VXGBXAGGSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)CC1(O)CCCC1 ZINC000791394161 585980352 /nfs/dbraw/zinc/98/03/52/585980352.db2.gz ZPLGGKHGFNWBCA-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO C[C@H]1CN(C(=O)c2ccnc(C#N)c2)CCN1C ZINC000793572464 586023377 /nfs/dbraw/zinc/02/33/77/586023377.db2.gz KUVGICQKBXXPMR-JTQLQIEISA-N 1 0 244.298 0.729 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H](C)OC ZINC000794002570 586030021 /nfs/dbraw/zinc/03/00/21/586030021.db2.gz FDBRKIJWISZYNS-ZJUUUORDSA-N 1 0 214.309 0.644 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCCCF ZINC000794413975 586039203 /nfs/dbraw/zinc/03/92/03/586039203.db2.gz IPQPTWMZFHYWHC-UHFFFAOYSA-N 1 0 202.273 0.970 20 30 BCEDRO COC(=O)C[C@@H]1CCC(N=NC(N)=[NH2+])[C@@H]1C ZINC000794488503 586040588 /nfs/dbraw/zinc/04/05/88/586040588.db2.gz ISWFWFIWMZCENG-RQJHMYQMSA-N 1 0 226.280 0.435 20 30 BCEDRO N#CCCNC(=O)C[NH2+][C@H]1CCC[C@@H]1CCO ZINC000794575618 586044649 /nfs/dbraw/zinc/04/46/49/586044649.db2.gz DDRJGISTDFPSGZ-MNOVXSKESA-N 1 0 239.319 0.157 20 30 BCEDRO C#CC(=O)Nc1cccc(C[N@H+]2CC[C@H](O)C2)c1 ZINC000794588739 586045296 /nfs/dbraw/zinc/04/52/96/586045296.db2.gz WVBFWCLPWRYQGF-ZDUSSCGKSA-N 1 0 244.294 0.825 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)[C@@H]1CCOC1 ZINC000794684572 586046817 /nfs/dbraw/zinc/04/68/17/586046817.db2.gz NBAZTCOSEXZJGQ-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C#CCCC[N@@H+](CCO)[C@H]1CCO[C@H]1C ZINC000796579504 586107620 /nfs/dbraw/zinc/10/76/20/586107620.db2.gz NHLJUYOQZQKJSE-RYUDHWBXSA-N 1 0 211.305 0.872 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CC(C)(C#N)C2)CCC1 ZINC000797761329 586130684 /nfs/dbraw/zinc/13/06/84/586130684.db2.gz JNMRRRIAQQOBSD-UHFFFAOYSA-N 1 0 221.304 0.843 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ccnn1C ZINC000798279582 586142155 /nfs/dbraw/zinc/14/21/55/586142155.db2.gz KSBPPTZYJLKNTR-UHFFFAOYSA-N 1 0 222.292 0.154 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)[C@H](C(C)C)[NH+](C)C ZINC000799073040 586155563 /nfs/dbraw/zinc/15/55/63/586155563.db2.gz ZPBKXSUIHFCLKP-RYUDHWBXSA-N 1 0 240.347 0.463 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000799070694 586155625 /nfs/dbraw/zinc/15/56/25/586155625.db2.gz SJCWVAHNBFKNPO-NWDGAFQWSA-N 1 0 238.331 0.361 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H](CCO)C2CC2)C1=O ZINC000799166143 586164025 /nfs/dbraw/zinc/16/40/25/586164025.db2.gz ZNIMGJJRDLJWMZ-RYUDHWBXSA-N 1 0 238.331 0.524 20 30 BCEDRO COc1cc(C=NNC(N)=[NH2+])ccc1C#N ZINC000799476652 586178201 /nfs/dbraw/zinc/17/82/01/586178201.db2.gz QAZFLPOPVQSGLO-UHFFFAOYSA-N 1 0 217.232 0.384 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)CC2(O)CCC2)C1 ZINC000859337036 589032518 /nfs/dbraw/zinc/03/25/18/589032518.db2.gz VSIOAIKZRHVJIL-OLZOCXBDSA-N 1 0 237.343 0.998 20 30 BCEDRO COc1cccc(C=NNC(N)=[NH2+])c1F ZINC000799875109 586199195 /nfs/dbraw/zinc/19/91/95/586199195.db2.gz MVEAUNWFZSONIA-UHFFFAOYSA-N 1 0 210.212 0.651 20 30 BCEDRO Cc1cc(C)cc([C@H](O)C[NH2+]CC#CCO)c1 ZINC000843080228 586225437 /nfs/dbraw/zinc/22/54/37/586225437.db2.gz QTEMDDRRFOUKOS-CQSZACIVSA-N 1 0 233.311 0.922 20 30 BCEDRO CC#CC(=O)N(CC[NH+](C)C)C[C@H]1CCCO1 ZINC000801150758 586243436 /nfs/dbraw/zinc/24/34/36/586243436.db2.gz DZAUUMWDKNVOKV-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO CC#CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000801154050 586243911 /nfs/dbraw/zinc/24/39/11/586243911.db2.gz ILZAKXKNYXDFDO-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO CC#CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000801154049 586243950 /nfs/dbraw/zinc/24/39/50/586243950.db2.gz ILZAKXKNYXDFDO-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO CC#CC(=O)NCCCC[N@@H+]1CCC[C@@H]1CO ZINC000801173878 586245154 /nfs/dbraw/zinc/24/51/54/586245154.db2.gz GCZJJKZAWYZWOB-GFCCVEGCSA-N 1 0 238.331 0.363 20 30 BCEDRO CC#CC(=O)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000801180320 586245965 /nfs/dbraw/zinc/24/59/65/586245965.db2.gz VSXYQHCXXZHTIR-GHMZBOCLSA-N 1 0 208.305 0.951 20 30 BCEDRO C[C@@H](C#N)OCCN1CCc2c[nH]nc2C1 ZINC000801934219 586278389 /nfs/dbraw/zinc/27/83/89/586278389.db2.gz JQVJQUGEVHQKQB-VIFPVBQESA-N 1 0 220.276 0.696 20 30 BCEDRO CCCCC[N@H+](CCO[C@@H](C)C#N)CC(N)=O ZINC000801938087 586279221 /nfs/dbraw/zinc/27/92/21/586279221.db2.gz BZCZOBBVBQSYIZ-NSHDSACASA-N 1 0 241.335 0.893 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000801940344 586279653 /nfs/dbraw/zinc/27/96/53/586279653.db2.gz AEULURGBCGDCNF-CMPLNLGQSA-N 1 0 239.319 0.645 20 30 BCEDRO C[C@H](C#N)OCCN1CCN(C)C(=O)[C@@H]1C ZINC000801943932 586281431 /nfs/dbraw/zinc/28/14/31/586281431.db2.gz BORLLQLIEQRMFC-ZJUUUORDSA-N 1 0 225.292 0.078 20 30 BCEDRO COCC[N@H+](CCO[C@@H](C)C#N)[C@@H]1CCOC1 ZINC000801952456 586282409 /nfs/dbraw/zinc/28/24/09/586282409.db2.gz XUPTTYXFDODMMV-NWDGAFQWSA-N 1 0 242.319 0.652 20 30 BCEDRO COCCO[C@@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801947663 586282814 /nfs/dbraw/zinc/28/28/14/586282814.db2.gz YSNYLVQZOQQNTC-NWDGAFQWSA-N 1 0 242.319 0.652 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1nnc(C)n1C1CC1 ZINC000803763340 586372575 /nfs/dbraw/zinc/37/25/75/586372575.db2.gz RWIYGXAPEGSSOR-UHFFFAOYSA-N 1 0 249.318 0.978 20 30 BCEDRO C#CC(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000804526374 586397965 /nfs/dbraw/zinc/39/79/65/586397965.db2.gz QDFGOBQKCQXMKS-MNOVXSKESA-N 1 0 206.289 0.705 20 30 BCEDRO C=C(CO)C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@@H]1C ZINC000804527726 586398011 /nfs/dbraw/zinc/39/80/11/586398011.db2.gz SAVWIEWKFFSUAZ-RYUDHWBXSA-N 1 0 238.331 0.620 20 30 BCEDRO CON=CC(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000804527067 586398374 /nfs/dbraw/zinc/39/83/74/586398374.db2.gz NYMRRQJXATVWKZ-GHMZBOCLSA-N 1 0 239.319 0.704 20 30 BCEDRO C#CC(=O)N1CC([N@H+](C)Cc2ccccc2)C1 ZINC000804535959 586398751 /nfs/dbraw/zinc/39/87/51/586398751.db2.gz ZBOLTMJDVVREKU-UHFFFAOYSA-N 1 0 228.295 0.962 20 30 BCEDRO C#CCCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000806876785 586420032 /nfs/dbraw/zinc/42/00/32/586420032.db2.gz CPSRJGWXNLZTIC-JTQLQIEISA-N 1 0 211.309 0.649 20 30 BCEDRO C(=NNC1=[NH+][C@H]2CCCC[C@H]2N1)c1cnccn1 ZINC000807979059 586454334 /nfs/dbraw/zinc/45/43/34/586454334.db2.gz LWJSOTAHWMNLKQ-PHIMTYICSA-N 1 0 244.302 0.671 20 30 BCEDRO CC[N@@H+]1CCC(N=Nc2nc[nH]n2)[C@H](C)C1 ZINC000807996887 586456539 /nfs/dbraw/zinc/45/65/39/586456539.db2.gz LZXSGYSNVLERAV-MRVPVSSYSA-N 1 0 222.296 0.934 20 30 BCEDRO C[C@@H]1CC(N=Nc2nc[nH]n2)C[N@@H+]1C1CC1 ZINC000807997931 586456636 /nfs/dbraw/zinc/45/66/36/586456636.db2.gz INUKIVDMLSCPRU-SSDOTTSWSA-N 1 0 220.280 0.829 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@](CO)(CCC)C1 ZINC000808796192 586490514 /nfs/dbraw/zinc/49/05/14/586490514.db2.gz GVYNCQHCRYAYML-CYBMUJFWSA-N 1 0 238.331 0.220 20 30 BCEDRO C#CCCN1CCN(c2ncncc2C#N)CC1 ZINC000809353396 586504116 /nfs/dbraw/zinc/50/41/16/586504116.db2.gz XQNBFCMQLAPSAU-UHFFFAOYSA-N 1 0 241.298 0.494 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)CC1(O)CCCC1 ZINC000809576271 586507193 /nfs/dbraw/zinc/50/71/93/586507193.db2.gz KJVPJRKMQQVIFK-SNVBAGLBSA-N 1 0 212.293 0.498 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCS[C@@H]2COCC[C@@H]21 ZINC000809576539 586507806 /nfs/dbraw/zinc/50/78/06/586507806.db2.gz CGLWQIDXHZXUJJ-OUAUKWLOSA-N 1 0 242.344 0.467 20 30 BCEDRO C#Cc1ccc(C[NH2+]CCc2nnnn2C)cc1 ZINC000809632789 586510096 /nfs/dbraw/zinc/51/00/96/586510096.db2.gz WITCAGDXFUNTLQ-UHFFFAOYSA-N 1 0 241.298 0.524 20 30 BCEDRO CON=CC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000809671969 586511755 /nfs/dbraw/zinc/51/17/55/586511755.db2.gz HDIIEHHDWDREJC-SNVBAGLBSA-N 1 0 225.292 0.219 20 30 BCEDRO CON=CC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000809671968 586511795 /nfs/dbraw/zinc/51/17/95/586511795.db2.gz HDIIEHHDWDREJC-JTQLQIEISA-N 1 0 225.292 0.219 20 30 BCEDRO CCCC[N@H+](C)CCNC(=O)C=NOC ZINC000809678868 586511928 /nfs/dbraw/zinc/51/19/28/586511928.db2.gz RVTBGZWVHACZLP-UHFFFAOYSA-N 1 0 215.297 0.467 20 30 BCEDRO CCCN(CC[NH+](C)C)C(=O)C=NOC ZINC000809726392 586514725 /nfs/dbraw/zinc/51/47/25/586514725.db2.gz IAKFNCAJEGZZRN-UHFFFAOYSA-N 1 0 215.297 0.419 20 30 BCEDRO CON=CC(=O)N1CCC2(CCC[N@@H+]2C)CC1 ZINC000809745833 586516871 /nfs/dbraw/zinc/51/68/71/586516871.db2.gz GXARBARDMQJSBX-UHFFFAOYSA-N 1 0 239.319 0.705 20 30 BCEDRO CON=CC(=O)NCC[N@@H+]1CCC[C@@H]1C ZINC000809776071 586519083 /nfs/dbraw/zinc/51/90/83/586519083.db2.gz RYRMXTGBWQOZSL-VIFPVBQESA-N 1 0 213.281 0.219 20 30 BCEDRO CON=CC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000809801036 586521131 /nfs/dbraw/zinc/52/11/31/586521131.db2.gz KDKGLKPYMLVGPH-UHFFFAOYSA-N 1 0 239.319 0.752 20 30 BCEDRO CCCC[N@H+](C)C[C@H](C)NC(=O)C=NOC ZINC000811583803 586561496 /nfs/dbraw/zinc/56/14/96/586561496.db2.gz ZZOUHUWGLNYHDL-JTQLQIEISA-N 1 0 229.324 0.855 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000812052199 586569743 /nfs/dbraw/zinc/56/97/43/586569743.db2.gz PFJORVYMCOVVRL-GFCCVEGCSA-N 1 0 235.331 0.745 20 30 BCEDRO C#CCOCCNC(=O)CC1CC[NH+](C)CC1 ZINC000813515346 586602803 /nfs/dbraw/zinc/60/28/03/586602803.db2.gz APJGNIODNPFSFX-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCc1cnn(C)c1 ZINC000813581582 586603890 /nfs/dbraw/zinc/60/38/90/586603890.db2.gz USXLUAKUNPIXRA-UHFFFAOYSA-N 1 0 236.319 0.197 20 30 BCEDRO CON(C)C(=O)CC[N@H+](C)CC(C)(C)C#N ZINC000814668914 586627886 /nfs/dbraw/zinc/62/78/86/586627886.db2.gz IJMIWFIKPGHAAX-UHFFFAOYSA-N 1 0 227.308 0.878 20 30 BCEDRO CCCN[NH+]=Cc1cnc(N(C)C)nc1 ZINC000814804338 586635963 /nfs/dbraw/zinc/63/59/63/586635963.db2.gz KTRHCYVXUCWHAX-UHFFFAOYSA-N 1 0 207.281 0.876 20 30 BCEDRO CN(C)c1ncc(C=NNC2CCOCC2)cn1 ZINC000814869046 586640555 /nfs/dbraw/zinc/64/05/55/586640555.db2.gz BBSWKGNQGHIZAA-UHFFFAOYSA-N 1 0 249.318 0.645 20 30 BCEDRO C(=NNC1=[NH+][C@@H]2CCCC[C@H]2N1)c1cncnc1 ZINC000814886113 586642883 /nfs/dbraw/zinc/64/28/83/586642883.db2.gz RZCXKAKXQVXDQO-GHMZBOCLSA-N 1 0 244.302 0.671 20 30 BCEDRO CC(=NN=c1cc[nH]n1C)C1CC[NH+](C)CC1 ZINC000814907732 586648445 /nfs/dbraw/zinc/64/84/45/586648445.db2.gz XDRGPUAUBCEZGD-UHFFFAOYSA-N 1 0 235.335 0.972 20 30 BCEDRO CN(C)c1ccc(C=[NH+]NCCO)cc1F ZINC000814942377 586656498 /nfs/dbraw/zinc/65/64/98/586656498.db2.gz XKJWEBKDYPONOM-UHFFFAOYSA-N 1 0 225.267 0.808 20 30 BCEDRO CN(C)c1ccncc1C=[NH+]NCCO ZINC000814944319 586657663 /nfs/dbraw/zinc/65/76/63/586657663.db2.gz ZLMVBPYOLUIWSW-UHFFFAOYSA-N 1 0 208.265 0.063 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1cnnn1C ZINC000814979512 586662580 /nfs/dbraw/zinc/66/25/80/586662580.db2.gz KLWYHGQKYLRWSH-SSDOTTSWSA-N 1 0 208.269 0.165 20 30 BCEDRO C[C@@H]1CC(N=Nc2cnnn2C)C[N@@H+]1C ZINC000814982273 586663502 /nfs/dbraw/zinc/66/35/02/586663502.db2.gz UALGRPNGVPOFMC-SSDOTTSWSA-N 1 0 208.269 0.307 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(OCC)CC1 ZINC000815021792 586664393 /nfs/dbraw/zinc/66/43/93/586664393.db2.gz PTOXUNWHDJVMNS-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CC2(C1)CC(F)(F)C2 ZINC000815079244 586665961 /nfs/dbraw/zinc/66/59/61/586665961.db2.gz NXECAFBEAIIQIE-UHFFFAOYSA-N 1 0 242.269 0.857 20 30 BCEDRO COC[C@@H]([NH2+]CCOCCC#N)[C@@H]1CCCO1 ZINC000815102445 586666635 /nfs/dbraw/zinc/66/66/35/586666635.db2.gz IZORVYOZDHXRHY-NEPJUHHUSA-N 1 0 242.319 0.700 20 30 BCEDRO CC#CCN(C)C[C@H](O)C[NH+]1CCCC1 ZINC000815279246 586676772 /nfs/dbraw/zinc/67/67/72/586676772.db2.gz FUVUTUQHRUYCQC-LBPRGKRZSA-N 1 0 210.321 0.398 20 30 BCEDRO C#CCCCC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000816626083 586745414 /nfs/dbraw/zinc/74/54/14/586745414.db2.gz USMCUIYEKZNQDC-LBPRGKRZSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000859825587 589064011 /nfs/dbraw/zinc/06/40/11/589064011.db2.gz ZHNYSCVRGUSGAF-WYFGTUCQSA-N 1 0 224.304 0.137 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1[C@@H](C)[C@H](C)O[C@H]1C ZINC000859830551 589064129 /nfs/dbraw/zinc/06/41/29/589064129.db2.gz YOKQDPLCQAZEMG-ZPFDUUQYSA-N 1 0 238.331 0.527 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000816823402 586766120 /nfs/dbraw/zinc/76/61/20/586766120.db2.gz TXPTWXYFLBDNLY-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CO[C@@H](C)C1 ZINC000842696269 586769148 /nfs/dbraw/zinc/76/91/48/586769148.db2.gz SMXIFQJUGGXRGL-UWVGGRQHSA-N 1 0 233.333 0.354 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CCO[C@@H]3C[C@@H]32)CC1 ZINC000816900152 586770111 /nfs/dbraw/zinc/77/01/11/586770111.db2.gz IQLJTSZHVQXDAE-QWHCGFSZSA-N 1 0 248.326 0.331 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000817165639 586784994 /nfs/dbraw/zinc/78/49/94/586784994.db2.gz OGCLTFVKIMNKFG-QWRGUYRKSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@@]2=O ZINC000859887278 589068898 /nfs/dbraw/zinc/06/88/98/589068898.db2.gz HRWPHDMHQZFIQU-BFQNTYOBSA-N 1 0 241.356 0.622 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@H](CCF)C1 ZINC000859908626 589069709 /nfs/dbraw/zinc/06/97/09/589069709.db2.gz OBXNWLDFYZMKKR-LLVKDONJSA-N 1 0 242.294 0.186 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C1CCN(C=O)CC1 ZINC000818346889 586887500 /nfs/dbraw/zinc/88/75/00/586887500.db2.gz JSWBASWEJYWDHA-AAEUAGOBSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CCOCCC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000818972715 586919304 /nfs/dbraw/zinc/91/93/04/586919304.db2.gz YGHGHMOTMFHFHS-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1C(=O)C=NOC ZINC000818977708 586919581 /nfs/dbraw/zinc/91/95/81/586919581.db2.gz KEYZPHQBFPVFSZ-SECBINFHSA-N 1 0 213.281 0.171 20 30 BCEDRO C=CCN1CCC([NH2+]CCS(C)(=O)=O)CC1 ZINC000819025057 586925018 /nfs/dbraw/zinc/92/50/18/586925018.db2.gz XAXBZFZJSRZROB-UHFFFAOYSA-N 1 0 246.376 0.271 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC[C@@H](SC)C1 ZINC000819113046 586931061 /nfs/dbraw/zinc/93/10/61/586931061.db2.gz KUNCXJOCCCBUGE-GHMZBOCLSA-N 1 0 240.372 1.000 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCC(F)(F)C1 ZINC000819170948 586934957 /nfs/dbraw/zinc/93/49/57/586934957.db2.gz QLFGTQXPJDATIP-VIFPVBQESA-N 1 0 230.258 0.903 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCCCO1 ZINC000819212061 586939184 /nfs/dbraw/zinc/93/91/84/586939184.db2.gz IRCJNMUAYYWTKV-NEPJUHHUSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000819212064 586939624 /nfs/dbraw/zinc/93/96/24/586939624.db2.gz IRCJNMUAYYWTKV-VXGBXAGGSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)c1ccc(F)cn1 ZINC000819228068 586940567 /nfs/dbraw/zinc/94/05/67/586940567.db2.gz GJSWMHQGNUFIOY-GFCCVEGCSA-N 1 0 238.262 0.494 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)C(F)(F)F ZINC000819231440 586941303 /nfs/dbraw/zinc/94/13/03/586941303.db2.gz WKENNJUDBWGNTO-SSDOTTSWSA-N 1 0 211.183 0.149 20 30 BCEDRO CCOC(=O)CC[C@H](O)C[NH2+]CCC#N ZINC000819269392 586945380 /nfs/dbraw/zinc/94/53/80/586945380.db2.gz GZGGMLYEDDAEQF-VIFPVBQESA-N 1 0 214.265 0.194 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2[C@@H]3COC[C@@H]32)cc1 ZINC000819277630 586947291 /nfs/dbraw/zinc/94/72/91/586947291.db2.gz DSBSESNBWSMQCB-RFQIPJPRSA-N 1 0 244.294 0.826 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1C[NH2+]CCS(C)(=O)=O ZINC000819282452 586947607 /nfs/dbraw/zinc/94/76/07/586947607.db2.gz FBLRQNMWFXYQBV-QWRGUYRKSA-N 1 0 247.360 0.602 20 30 BCEDRO CS(=O)(=O)CC[NH2+]CC1CCC(C#N)CC1 ZINC000819286807 586948737 /nfs/dbraw/zinc/94/87/37/586948737.db2.gz KCBVHECEOJJJQG-UHFFFAOYSA-N 1 0 244.360 0.951 20 30 BCEDRO CCCCCC[C@H](O)C[NH2+]CC(=O)NCC#N ZINC000819309658 586949677 /nfs/dbraw/zinc/94/96/77/586949677.db2.gz OWXQAPDAMMTREL-NSHDSACASA-N 1 0 241.335 0.547 20 30 BCEDRO N#Cc1ccc(C[NH2+]CC2(O)CCC2)nc1 ZINC000819312406 586950332 /nfs/dbraw/zinc/95/03/32/586950332.db2.gz RMPUMBUOVSRVIF-UHFFFAOYSA-N 1 0 217.272 0.958 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCS(=O)(=O)CC ZINC000819347285 586955113 /nfs/dbraw/zinc/95/51/13/586955113.db2.gz GZPHCHYNXQHNSX-ZJUUUORDSA-N 1 0 233.333 0.354 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCS(=O)(=O)CC ZINC000819351140 586955734 /nfs/dbraw/zinc/95/57/34/586955734.db2.gz VGSNVZJJLAUGCC-MNOVXSKESA-N 1 0 247.360 0.744 20 30 BCEDRO CON(C)C(=O)CC[NH2+]CC(C)(C)CC#N ZINC000819361075 586956835 /nfs/dbraw/zinc/95/68/35/586956835.db2.gz CHLOQESYTYCVHY-UHFFFAOYSA-N 1 0 227.308 0.926 20 30 BCEDRO CON(C)C(=O)CC[NH2+]CC1(C#N)CCC1 ZINC000819376368 586958420 /nfs/dbraw/zinc/95/84/20/586958420.db2.gz BBALCZFNJRJMOE-UHFFFAOYSA-N 1 0 225.292 0.680 20 30 BCEDRO CON(C)C(=O)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000819384006 586959893 /nfs/dbraw/zinc/95/98/93/586959893.db2.gz SIUHZRPMRBPFJA-VHSXEESVSA-N 1 0 225.292 0.678 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC(CCOC)C1 ZINC000819571912 586979034 /nfs/dbraw/zinc/97/90/34/586979034.db2.gz SDIPBAHKRDLESC-UHFFFAOYSA-N 1 0 226.320 0.599 20 30 BCEDRO OCC[NH+]1CCC(N=Nc2ncccn2)CC1 ZINC000819806671 586995752 /nfs/dbraw/zinc/99/57/52/586995752.db2.gz WSBRRSXIWRFNNA-UHFFFAOYSA-N 1 0 235.291 0.333 20 30 BCEDRO OCC[NH+]1CCC(=NO[C@H]2CCCCO2)CC1 ZINC000819809097 586996384 /nfs/dbraw/zinc/99/63/84/586996384.db2.gz OABXSOGRNVEJMV-LBPRGKRZSA-N 1 0 242.319 0.974 20 30 BCEDRO OCC[NH+]1CCC(N=Nc2ccncn2)CC1 ZINC000819812637 586997022 /nfs/dbraw/zinc/99/70/22/586997022.db2.gz FMIIPJKPVWBCRN-UHFFFAOYSA-N 1 0 235.291 0.333 20 30 BCEDRO OCC[NH+]1CCC(N=Nc2cncnc2)CC1 ZINC000819813636 586997696 /nfs/dbraw/zinc/99/76/96/586997696.db2.gz QUNYYCQFYLYGBL-UHFFFAOYSA-N 1 0 235.291 0.333 20 30 BCEDRO C#CCNC(=O)NCc1nccn1CC ZINC000820207565 587034729 /nfs/dbraw/zinc/03/47/29/587034729.db2.gz FRRMOHIQECUDEH-UHFFFAOYSA-N 1 0 206.249 0.335 20 30 BCEDRO C#CCCCNC(=O)C1(C[NH+](C)C)CC1 ZINC000820346608 587044505 /nfs/dbraw/zinc/04/45/05/587044505.db2.gz KYEHBNSIEIJTIQ-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[C@H](C)[NH+](C)C ZINC000820394042 587045638 /nfs/dbraw/zinc/04/56/38/587045638.db2.gz DIESNOWELMTWQB-UWVGGRQHSA-N 1 0 211.309 0.648 20 30 BCEDRO C#C[C@H](C)NC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000820394705 587045791 /nfs/dbraw/zinc/04/57/91/587045791.db2.gz NTPRVVQQKNXWRZ-WDEREUQCSA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000820401064 587046489 /nfs/dbraw/zinc/04/64/89/587046489.db2.gz VNISIXHNTRXMMP-QWRGUYRKSA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1CC ZINC000820401065 587046541 /nfs/dbraw/zinc/04/65/41/587046541.db2.gz VNISIXHNTRXMMP-WDEREUQCSA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@H](C)NC(=O)N(CC)CCC[NH+](C)C ZINC000820413196 587047160 /nfs/dbraw/zinc/04/71/60/587047160.db2.gz VXPVISGMENOROC-NSHDSACASA-N 1 0 225.336 0.991 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000820416381 587047285 /nfs/dbraw/zinc/04/72/85/587047285.db2.gz DVQOIEYANAESNC-QWRGUYRKSA-N 1 0 223.320 0.601 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000820435178 587049069 /nfs/dbraw/zinc/04/90/69/587049069.db2.gz GGCWBWWALSEJBQ-MNOVXSKESA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCN(CC)C[C@H](O)C[N@H+](C)C(C)C ZINC000821385358 587114896 /nfs/dbraw/zinc/11/48/96/587114896.db2.gz BOFAWXNFULJIMG-GFCCVEGCSA-N 1 0 212.337 0.643 20 30 BCEDRO C[C@H]1CC(NC(=O)C[C@@H]2CC[N@H+](C)C2)=NO1 ZINC000821399486 587117064 /nfs/dbraw/zinc/11/70/64/587117064.db2.gz JZXYIIXZNGSCPH-IUCAKERBSA-N 1 0 225.292 0.567 20 30 BCEDRO C#CCOCC[N@H+]1CCCC[C@@H]1CNC(C)=O ZINC000860179588 589087579 /nfs/dbraw/zinc/08/75/79/589087579.db2.gz FUFQIQXRRADRKE-CYBMUJFWSA-N 1 0 238.331 0.627 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCCC[C@H]1CCO ZINC000822438267 587168093 /nfs/dbraw/zinc/16/80/93/587168093.db2.gz XFBDHPYFLFBLGQ-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000822473162 587170280 /nfs/dbraw/zinc/17/02/80/587170280.db2.gz TYFLKTWCXGDJMT-MNOVXSKESA-N 1 0 208.305 0.951 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000822473559 587170460 /nfs/dbraw/zinc/17/04/60/587170460.db2.gz ZWPDKIMHRBBQCW-QWRGUYRKSA-N 1 0 208.305 0.808 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)CC[NH2+]C(C)(C)C ZINC000822484228 587170902 /nfs/dbraw/zinc/17/09/02/587170902.db2.gz JSLGIHGAEXIKEN-LLVKDONJSA-N 1 0 238.331 0.625 20 30 BCEDRO CC(C)C#CC(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000823027791 587197047 /nfs/dbraw/zinc/19/70/47/587197047.db2.gz OPTZSMGEYSQFTE-LLVKDONJSA-N 1 0 208.305 0.714 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000823025543 587198782 /nfs/dbraw/zinc/19/87/82/587198782.db2.gz RHUFTJSZWYMZFG-RYUDHWBXSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(C)CC[NH+]1CCCC1 ZINC000823091305 587202078 /nfs/dbraw/zinc/20/20/78/587202078.db2.gz IEZILKXQJBSCQS-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000823309986 587215411 /nfs/dbraw/zinc/21/54/11/587215411.db2.gz FPQFZHWZISFKOW-NEPJUHHUSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)C(C)C ZINC000823314000 587216115 /nfs/dbraw/zinc/21/61/15/587216115.db2.gz CYAUBVDYKADDCC-LLVKDONJSA-N 1 0 226.320 0.481 20 30 BCEDRO C=CCCCc1nc(N2CC[NH2+]CC2)no1 ZINC000823347111 587217354 /nfs/dbraw/zinc/21/73/54/587217354.db2.gz QGKKGSAUUOPYLL-UHFFFAOYSA-N 1 0 222.292 0.988 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)[C@@H]1CCCC[N@H+]1C ZINC000823541240 587230202 /nfs/dbraw/zinc/23/02/02/587230202.db2.gz KHDGDQXFFDDKMP-RYUDHWBXSA-N 1 0 236.315 0.331 20 30 BCEDRO C=C[C@H](O)C(=O)N(CCC#N)CCC[NH+](C)C ZINC000823735800 587238615 /nfs/dbraw/zinc/23/86/15/587238615.db2.gz IFJSFLCVXCSKFY-NSHDSACASA-N 1 0 239.319 0.227 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H](C)O[C@@H]1C ZINC000823737056 587238779 /nfs/dbraw/zinc/23/87/79/587238779.db2.gz RRUIBDVMOGQLDP-GMTAPVOTSA-N 1 0 224.304 0.281 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C[NH+]1CCCC1 ZINC000823776142 587240351 /nfs/dbraw/zinc/24/03/51/587240351.db2.gz KXBRUJKKKUMICY-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO C#C[C@@H]1CCCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000824291633 587263031 /nfs/dbraw/zinc/26/30/31/587263031.db2.gz ZXQWFYZPDMTNBI-GHMZBOCLSA-N 1 0 208.305 0.808 20 30 BCEDRO C[NH+](C)CC1(C(=O)n2ncc(C#N)c2N)CC1 ZINC000824816953 587288874 /nfs/dbraw/zinc/28/88/74/587288874.db2.gz HYCBLFYKZADFNM-UHFFFAOYSA-N 1 0 233.275 0.319 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C[NH+]1CCCC1 ZINC000825080978 587303269 /nfs/dbraw/zinc/30/32/69/587303269.db2.gz YZQKGSFJEVODOX-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C1(C[NH+](C)C)CC1 ZINC000825080082 587303495 /nfs/dbraw/zinc/30/34/95/587303495.db2.gz GLMRJRXSCOFUNF-NSHDSACASA-N 1 0 238.331 0.483 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000825245258 587310983 /nfs/dbraw/zinc/31/09/83/587310983.db2.gz HHMUDRGTUWQDSR-MNOVXSKESA-N 1 0 224.304 0.399 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C(C)C ZINC000826588401 587355997 /nfs/dbraw/zinc/35/59/97/587355997.db2.gz WHOLDNLIEDVSPG-GHMZBOCLSA-N 1 0 226.320 0.522 20 30 BCEDRO Cc1cc(N2CC[C@](O)(CC#N)C2)nc(N)[nH+]1 ZINC000826614152 587356515 /nfs/dbraw/zinc/35/65/15/587356515.db2.gz AVPWVUTWUSLASA-LLVKDONJSA-N 1 0 233.275 0.222 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H]1c2ccccc2CN1C ZINC000826696586 587359203 /nfs/dbraw/zinc/35/92/03/587359203.db2.gz ONELNJCDVIQYPT-QWHCGFSZSA-N 1 0 246.310 0.836 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827256391 587374465 /nfs/dbraw/zinc/37/44/65/587374465.db2.gz WGFXQCGVVAVCSQ-AXFHLTTASA-N 1 0 224.304 0.086 20 30 BCEDRO C#Cc1cnc(NCC[N@@H+](C)C2CC2)nc1 ZINC000827452521 587382210 /nfs/dbraw/zinc/38/22/10/587382210.db2.gz YQCAEYDNXYBXJA-UHFFFAOYSA-N 1 0 216.288 0.964 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+](CC)C(C)C ZINC000827590606 587391048 /nfs/dbraw/zinc/39/10/48/587391048.db2.gz BGUMBKCZDZHBSH-LBPRGKRZSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@H](CC)CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000827749799 587401258 /nfs/dbraw/zinc/40/12/58/587401258.db2.gz QJUABPKYZLATLC-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C#Cc1cnc(N2C[C@@H](C)[N@@H+](C)C[C@H]2C)nc1 ZINC000827852098 587405594 /nfs/dbraw/zinc/40/55/94/587405594.db2.gz JDLWEAZQCPGLBJ-GHMZBOCLSA-N 1 0 230.315 0.987 20 30 BCEDRO C#Cc1cnc(N2C[C@@H](C)[N@@H+](C)C[C@@H]2C)nc1 ZINC000827852099 587405814 /nfs/dbraw/zinc/40/58/14/587405814.db2.gz JDLWEAZQCPGLBJ-MNOVXSKESA-N 1 0 230.315 0.987 20 30 BCEDRO C#Cc1cnc(NCC[N@@H+]2CCCOCC2)nc1 ZINC000827990729 587415368 /nfs/dbraw/zinc/41/53/68/587415368.db2.gz JMEKPUYBVIFFFR-UHFFFAOYSA-N 1 0 246.314 0.592 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@](C)(O)C1 ZINC000828145553 587421416 /nfs/dbraw/zinc/42/14/16/587421416.db2.gz LWYUOHQJWQMIRQ-LBPRGKRZSA-N 1 0 226.320 0.478 20 30 BCEDRO C#Cc1cnc(N2C[C@@H](C)[N@H+](C)[C@@H](C)C2)nc1 ZINC000828259367 587428578 /nfs/dbraw/zinc/42/85/78/587428578.db2.gz OTSNHFPRYXGPRR-PHIMTYICSA-N 1 0 230.315 0.987 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)CCCC[NH+](C)C ZINC000828270040 587429758 /nfs/dbraw/zinc/42/97/58/587429758.db2.gz VYMFUXNTYIMJHG-SNVBAGLBSA-N 1 0 214.309 0.334 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](O)C=C)CC1 ZINC000828478772 587445021 /nfs/dbraw/zinc/44/50/21/587445021.db2.gz ZPUXXXIKMOYBJF-LBPRGKRZSA-N 1 0 236.315 0.137 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2cn(C)nc2C)CC1 ZINC000828519116 587446937 /nfs/dbraw/zinc/44/69/37/587446937.db2.gz GEJTVWZGZTWUGD-UHFFFAOYSA-N 1 0 246.358 0.869 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CCC)[C@@H]1CCCO1 ZINC000828954187 587475403 /nfs/dbraw/zinc/47/54/03/587475403.db2.gz QMFHQMFOSLOJGV-SRVKXCTJSA-N 1 0 211.305 0.918 20 30 BCEDRO C#CC1(F)CN(C(=O)CC[NH2+]C(C)(C)C)C1 ZINC000829324206 587492501 /nfs/dbraw/zinc/49/25/01/587492501.db2.gz FNXSYFPGNBMFAD-UHFFFAOYSA-N 1 0 226.295 0.948 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000829783991 587516007 /nfs/dbraw/zinc/51/60/07/587516007.db2.gz CXNFIENNRDGPQN-VXGBXAGGSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000829788829 587516472 /nfs/dbraw/zinc/51/64/72/587516472.db2.gz HQQURERRNNRRKS-WDEREUQCSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](C[C@](C)(O)C(=O)OC)C1 ZINC000829810067 587518351 /nfs/dbraw/zinc/51/83/51/587518351.db2.gz LLRQGHSJXUVVOV-AAEUAGOBSA-N 1 0 239.315 0.646 20 30 BCEDRO C#CCNC(=O)CN1CCOC[C@@H]1C1CCC1 ZINC000830242816 587543498 /nfs/dbraw/zinc/54/34/98/587543498.db2.gz CHZNUSLNLFHXNN-GFCCVEGCSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C(=O)OCC)C2(COC2)C1 ZINC000830274426 587544838 /nfs/dbraw/zinc/54/48/38/587544838.db2.gz MHPLBWCPQMJWJI-NSHDSACASA-N 1 0 237.299 0.521 20 30 BCEDRO C#CC1CC[NH+](CC(=O)NC(C)C)CC1 ZINC000830301679 587545279 /nfs/dbraw/zinc/54/52/79/587545279.db2.gz RMHKRQVTGYSXJU-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC1CC[NH+](C[C@@H](O)COCC)CC1 ZINC000830321242 587545766 /nfs/dbraw/zinc/54/57/66/587545766.db2.gz CFNOSHGMSHHNJY-GFCCVEGCSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CC1CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000830345683 587546958 /nfs/dbraw/zinc/54/69/58/587546958.db2.gz NBUQCLVILXYTEC-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC1CC[NH+](C[C@@](C)(O)C(C)=O)CC1 ZINC000830350392 587546968 /nfs/dbraw/zinc/54/69/68/587546968.db2.gz BJIJVERFKNKMJS-GFCCVEGCSA-N 1 0 209.289 0.672 20 30 BCEDRO C#CC1CC[NH+](C[C@](C)(O)C(=O)OCC)CC1 ZINC000830345927 587547046 /nfs/dbraw/zinc/54/70/46/587547046.db2.gz ZGEHMJXCUKJRGL-ZDUSSCGKSA-N 1 0 239.315 0.646 20 30 BCEDRO C#CC1CC[NH+](CCN2C(=O)N[C@H](C)C2=O)CC1 ZINC000830350634 587547260 /nfs/dbraw/zinc/54/72/60/587547260.db2.gz FAMTZYMNVOTPRH-SNVBAGLBSA-N 1 0 249.314 0.272 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000830574214 587559028 /nfs/dbraw/zinc/55/90/28/587559028.db2.gz KPZOFOAIEICCKL-HBNTYKKESA-N 1 0 208.305 0.807 20 30 BCEDRO CC(C)C#CC(=O)N[C@H](C)[C@H]1CN(C)CCO1 ZINC000830628314 587561432 /nfs/dbraw/zinc/56/14/32/587561432.db2.gz QYWMGZKZRPRBOG-VXGBXAGGSA-N 1 0 238.331 0.481 20 30 BCEDRO C#CCCC[N@@H+]1CC[C@H]2COC(=O)N[C@@H]2C1 ZINC000830905758 587577228 /nfs/dbraw/zinc/57/72/28/587577228.db2.gz KRFHHJXSHWQUJR-WDEREUQCSA-N 1 0 222.288 0.830 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[N@H+]1CC=CCC1 ZINC000830972398 587578989 /nfs/dbraw/zinc/57/89/89/587578989.db2.gz NHHSUSGYYGVNDX-LBPRGKRZSA-N 1 0 236.315 0.403 20 30 BCEDRO C#CCSCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000831132899 587587144 /nfs/dbraw/zinc/58/71/44/587587144.db2.gz NALTZAVAEUHVJG-UWVGGRQHSA-N 1 0 243.376 0.778 20 30 BCEDRO C=CCONC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000831172791 587588994 /nfs/dbraw/zinc/58/89/94/587588994.db2.gz MITISEIYNAWBGO-YUMQZZPRSA-N 1 0 201.270 0.529 20 30 BCEDRO C=CCONC(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000831172783 587589048 /nfs/dbraw/zinc/58/90/48/587589048.db2.gz MITISEIYNAWBGO-JGVFFNPUSA-N 1 0 201.270 0.529 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831174350 587589222 /nfs/dbraw/zinc/58/92/22/587589222.db2.gz ZGTKYWCBXUFKPQ-SECBINFHSA-N 1 0 207.277 0.061 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831180556 587589367 /nfs/dbraw/zinc/58/93/67/587589367.db2.gz ORNNIYBAUYDBQP-SNVBAGLBSA-N 1 0 221.304 0.451 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000831186702 587590492 /nfs/dbraw/zinc/59/04/92/587590492.db2.gz RJYRUCBLIODBGI-GHMZBOCLSA-N 1 0 235.331 0.792 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC12CC[NH2+]CC2 ZINC000831193508 587590858 /nfs/dbraw/zinc/59/08/58/587590858.db2.gz MIYYSRHLBNTPBG-JTQLQIEISA-N 1 0 221.304 0.403 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(CC)OCC ZINC000831463167 587609614 /nfs/dbraw/zinc/60/96/14/587609614.db2.gz SDCCKGPQNHSBLM-UHFFFAOYSA-N 1 0 200.282 0.904 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C[C@H]([NH3+])C2CC2)C1 ZINC000831759644 587630317 /nfs/dbraw/zinc/63/03/17/587630317.db2.gz JPNBMBWZKMBVFK-GDPRMGEGSA-N 1 0 221.304 0.922 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCC(=O)N(C)OC ZINC000831835408 587633662 /nfs/dbraw/zinc/63/36/62/587633662.db2.gz SLIMDVWKNKVNPT-MNOVXSKESA-N 1 0 242.319 0.720 20 30 BCEDRO C#CCNC(=O)CN1CC[N@@H+](CC)C[C@@H]1CC ZINC000831965122 587640105 /nfs/dbraw/zinc/64/01/05/587640105.db2.gz PVZRQFQPWHBUJZ-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCNC(=O)C[NH2+]C(C)(C)CN1CCCC1 ZINC000832756117 587684384 /nfs/dbraw/zinc/68/43/84/587684384.db2.gz JSJVLHGDGTUUCG-UHFFFAOYSA-N 1 0 237.347 0.200 20 30 BCEDRO C=CCCCC(=O)N1CCO[C@@H]([C@@H](C)[NH3+])C1 ZINC000834317156 587751283 /nfs/dbraw/zinc/75/12/83/587751283.db2.gz RDEYPFIAOCLJDN-GHMZBOCLSA-N 1 0 226.320 0.917 20 30 BCEDRO CC[C@H](C)OCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834480408 587755734 /nfs/dbraw/zinc/75/57/34/587755734.db2.gz PPJXQOUVANBDNI-LPEHRKFASA-N 1 0 225.292 0.029 20 30 BCEDRO Cc1cc(C)c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)o1 ZINC000834479346 587756040 /nfs/dbraw/zinc/75/60/40/587756040.db2.gz DCNDQGYHQRPNHJ-UWVGGRQHSA-N 1 0 233.271 0.738 20 30 BCEDRO CCc1oc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1C ZINC000834480026 587756094 /nfs/dbraw/zinc/75/60/94/587756094.db2.gz KKSZFYUJUPSPPJ-NXEZZACHSA-N 1 0 247.298 0.992 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1CC(F)(F)C1 ZINC000834479316 587756120 /nfs/dbraw/zinc/75/61/20/587756120.db2.gz CHVFXZOUIISVCC-YUMQZZPRSA-N 1 0 229.230 0.259 20 30 BCEDRO CCc1oc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1C ZINC000834480029 587756144 /nfs/dbraw/zinc/75/61/44/587756144.db2.gz KKSZFYUJUPSPPJ-VHSXEESVSA-N 1 0 247.298 0.992 20 30 BCEDRO Cc1cc(C)c(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)o1 ZINC000834479348 587756154 /nfs/dbraw/zinc/75/61/54/587756154.db2.gz DCNDQGYHQRPNHJ-ZJUUUORDSA-N 1 0 233.271 0.738 20 30 BCEDRO Cc1cc(F)ccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834480232 587756292 /nfs/dbraw/zinc/75/62/92/587756292.db2.gz MYWCCALRECBZEY-SKDRFNHKSA-N 1 0 247.273 0.976 20 30 BCEDRO CC[C@@H]1CC[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)O1 ZINC000834480041 587756303 /nfs/dbraw/zinc/75/63/03/587756303.db2.gz KMXKGHAGDCVRTO-CHWFTXMASA-N 1 0 237.303 0.172 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCOCC1CC1 ZINC000834480677 587756375 /nfs/dbraw/zinc/75/63/75/587756375.db2.gz USFNJCDIYDAZRO-GHMZBOCLSA-N 1 0 237.303 0.031 20 30 BCEDRO Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1F ZINC000834480833 587756418 /nfs/dbraw/zinc/75/64/18/587756418.db2.gz WWKAEYHCMDDBLG-ONGXEEELSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCC(F)(F)F ZINC000834480774 587756477 /nfs/dbraw/zinc/75/64/77/587756477.db2.gz VZGBZZFUJCIUHS-BQBZGAKWSA-N 1 0 235.209 0.557 20 30 BCEDRO Cc1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)ccc1N ZINC000834485123 587756522 /nfs/dbraw/zinc/75/65/22/587756522.db2.gz RYDCECDVEJYNNH-ZYHUDNBSSA-N 1 0 244.298 0.419 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(N)c1 ZINC000834485128 587756638 /nfs/dbraw/zinc/75/66/38/587756638.db2.gz SAFXOJOHLFKRFV-GXSJLCMTSA-N 1 0 230.271 0.110 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccncc1F ZINC000834488432 587756649 /nfs/dbraw/zinc/75/66/49/587756649.db2.gz CJNAVNJKTKPRNU-GMSGAONNSA-N 1 0 234.234 0.062 20 30 BCEDRO Cc1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)ccc1F ZINC000834485312 587756839 /nfs/dbraw/zinc/75/68/39/587756839.db2.gz VEMMNDNXJLDFLT-JQWIXIFHSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)COC1CCCC1 ZINC000834490063 587756902 /nfs/dbraw/zinc/75/69/02/587756902.db2.gz RDENMTONVBBKGC-ONGXEEELSA-N 1 0 237.303 0.173 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)COC1CCCC1 ZINC000834490060 587756941 /nfs/dbraw/zinc/75/69/41/587756941.db2.gz RDENMTONVBBKGC-GXSJLCMTSA-N 1 0 237.303 0.173 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cc(C2CC2)no1 ZINC000834498650 587757328 /nfs/dbraw/zinc/75/73/28/587757328.db2.gz BHRKIFAVQBGDIX-SCZZXKLOSA-N 1 0 246.270 0.393 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CCc1ccccn1 ZINC000834494960 587757348 /nfs/dbraw/zinc/75/73/48/587757348.db2.gz RKGIAHHRCGJVAM-JQWIXIFHSA-N 1 0 244.298 0.242 20 30 BCEDRO CC[C@H](C)CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834499414 587757423 /nfs/dbraw/zinc/75/74/23/587757423.db2.gz IEVOCAMXLRJKTP-LPEHRKFASA-N 1 0 209.293 0.650 20 30 BCEDRO CC(C)CO[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834495725 587757479 /nfs/dbraw/zinc/75/74/79/587757479.db2.gz YRUKDZVZMZZLDI-GMTAPVOTSA-N 1 0 239.319 0.275 20 30 BCEDRO CC[C@H](C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834499412 587757530 /nfs/dbraw/zinc/75/75/30/587757530.db2.gz IEVOCAMXLRJKTP-GUBZILKMSA-N 1 0 209.293 0.650 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1c[nH]nc1C1CC1 ZINC000834499139 587757532 /nfs/dbraw/zinc/75/75/32/587757532.db2.gz FDGVKEBPXOQYQB-WCBMZHEXSA-N 1 0 245.286 0.128 20 30 BCEDRO Cc1ncc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)s1 ZINC000834494686 587757577 /nfs/dbraw/zinc/75/75/77/587757577.db2.gz OVFTVVGMACWJJF-JGVFFNPUSA-N 1 0 236.300 0.293 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1c[nH]nc1C1CC1 ZINC000834499134 587757617 /nfs/dbraw/zinc/75/76/17/587757617.db2.gz FDGVKEBPXOQYQB-PSASIEDQSA-N 1 0 245.286 0.128 20 30 BCEDRO CC[C@H](C)[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834501138 587757675 /nfs/dbraw/zinc/75/76/75/587757675.db2.gz ZMUSCMUNXOJWKX-XWLWVQCSSA-N 1 0 223.320 0.896 20 30 BCEDRO Cc1noc(C)c1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834505099 587757686 /nfs/dbraw/zinc/75/76/86/587757686.db2.gz HXQWZYRKDDVETL-BDAKNGLRSA-N 1 0 234.259 0.133 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(F)cn1 ZINC000834499830 587757690 /nfs/dbraw/zinc/75/76/90/587757690.db2.gz NGXFOOLLHXKLNB-OIBJUYFYSA-N 1 0 234.234 0.062 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1ccccc1 ZINC000834505451 587757718 /nfs/dbraw/zinc/75/77/18/587757718.db2.gz LEAMDXGPBWSMHJ-CHWSQXEVSA-N 1 0 243.310 0.847 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)COc1ccccc1 ZINC000834505372 587757734 /nfs/dbraw/zinc/75/77/34/587757734.db2.gz KDSXSAZJSSUTHB-JQWIXIFHSA-N 1 0 245.282 0.293 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1conc1C1CC1 ZINC000834500545 587757879 /nfs/dbraw/zinc/75/78/79/587757879.db2.gz ULORCEHZBIUJCP-SCZZXKLOSA-N 1 0 246.270 0.393 20 30 BCEDRO CCCn1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cn1 ZINC000834500133 587758035 /nfs/dbraw/zinc/75/80/35/587758035.db2.gz QLGMAIRDNADRPV-MWLCHTKSSA-N 1 0 247.302 0.134 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1C ZINC000834511549 587758071 /nfs/dbraw/zinc/75/80/71/587758071.db2.gz MFKZJDFDIHHQFD-VHSXEESVSA-N 1 0 232.287 0.175 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(F)c1 ZINC000834511204 587758171 /nfs/dbraw/zinc/75/81/71/587758171.db2.gz JKDXTKZOPWCPLR-KOLCDFICSA-N 1 0 233.246 0.667 20 30 BCEDRO Cc1ccccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834511307 587758199 /nfs/dbraw/zinc/75/81/99/587758199.db2.gz KIRFBTAWDJBMDF-ZYHUDNBSSA-N 1 0 229.283 0.836 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1ccsc1 ZINC000834510839 587758258 /nfs/dbraw/zinc/75/82/58/587758258.db2.gz FWAVOCARTSZNON-GHMZBOCLSA-N 1 0 249.339 0.908 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccccc1F ZINC000834507245 587758367 /nfs/dbraw/zinc/75/83/67/587758367.db2.gz ZAXSMUIMTHZQPC-GZMMTYOYSA-N 1 0 233.246 0.667 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1F ZINC000834510825 587758369 /nfs/dbraw/zinc/75/83/69/587758369.db2.gz FTCBTKMJLXZXBI-PWSUYJOCSA-N 1 0 247.273 0.976 20 30 BCEDRO COCc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)o1 ZINC000834517581 587758484 /nfs/dbraw/zinc/75/84/84/587758484.db2.gz XHHDKDREQOSLCO-PSASIEDQSA-N 1 0 249.270 0.267 20 30 BCEDRO Cc1cccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1O ZINC000834512543 587758494 /nfs/dbraw/zinc/75/84/94/587758494.db2.gz YMNLORPSNIHOQD-KOLCDFICSA-N 1 0 245.282 0.542 20 30 BCEDRO Cc1noc(C)c1CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834512618 587758680 /nfs/dbraw/zinc/75/86/80/587758680.db2.gz ZHCIPBXCEAULGO-ONGXEEELSA-N 1 0 248.286 0.062 20 30 BCEDRO C#CCn1cc(CNC(=O)C(=C)C[NH+](C)C)cn1 ZINC000834612086 587760895 /nfs/dbraw/zinc/76/08/95/587760895.db2.gz MFCWELORYSZACC-UHFFFAOYSA-N 1 0 246.314 0.250 20 30 BCEDRO C[C@@H](CO)N[NH+]=C1CCc2cc(N)ccc21 ZINC000834964372 587773098 /nfs/dbraw/zinc/77/30/98/587773098.db2.gz LDGWQVWJBGEQOR-QMMMGPOBSA-N 1 0 219.288 0.890 20 30 BCEDRO CCn1cccc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000834970697 587774345 /nfs/dbraw/zinc/77/43/45/587774345.db2.gz PHOJDJZAHZEEGA-SECBINFHSA-N 1 0 219.292 0.779 20 30 BCEDRO C[C@@H](O)CN[NH+]=C1CCCc2nc(N)ccc21 ZINC000834982592 587776047 /nfs/dbraw/zinc/77/60/47/587776047.db2.gz GOUVAWLOAVDTIH-MRVPVSSYSA-N 1 0 234.303 0.675 20 30 BCEDRO Nc1ccc2c(c1)CCCC2=[NH+]NCCO ZINC000834982137 587776098 /nfs/dbraw/zinc/77/60/98/587776098.db2.gz OVEZPWHICOLCJP-UHFFFAOYSA-N 1 0 219.288 0.891 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](OC)[C@H](C)C1 ZINC000836837939 587839405 /nfs/dbraw/zinc/83/94/05/587839405.db2.gz NOGUSITVITUWOA-ZYHUDNBSSA-N 1 0 240.347 0.988 20 30 BCEDRO CC[C@@H](C)[NH+]1CCN(C(=O)C=NOC)CC1 ZINC000837004265 587847301 /nfs/dbraw/zinc/84/73/01/587847301.db2.gz GLWADMCSHUSURE-SNVBAGLBSA-N 1 0 227.308 0.561 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)C(=O)OC(C)C ZINC000837026548 587848073 /nfs/dbraw/zinc/84/80/73/587848073.db2.gz CPRAWCLPEFCHLU-JTQLQIEISA-N 1 0 242.319 0.561 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CCC[C@@H]1O ZINC000837279864 587863423 /nfs/dbraw/zinc/86/34/23/587863423.db2.gz SMBKVRIZDYVNQN-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C[NH+](C)C[C@H]1CCCN1C(=O)C#CC1CC1 ZINC000837387143 587869828 /nfs/dbraw/zinc/86/98/28/587869828.db2.gz ATHARPKQQFILHC-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO C[NH+](C)C[C@@H]1CCCN1C(=O)C#CC1CC1 ZINC000837387146 587869974 /nfs/dbraw/zinc/86/99/74/587869974.db2.gz ATHARPKQQFILHC-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)C#CC2CC2)C1 ZINC000837665239 587888721 /nfs/dbraw/zinc/88/87/21/587888721.db2.gz CMIFBCJOKJNJDT-RYUDHWBXSA-N 1 0 218.300 0.562 20 30 BCEDRO C#CCOCC[NH2+][C@H](C)c1ccn(C)n1 ZINC000840745770 587919650 /nfs/dbraw/zinc/91/96/50/587919650.db2.gz OVVKPRKJRIDWBB-SNVBAGLBSA-N 1 0 207.277 0.721 20 30 BCEDRO C#CCNC(=S)NCCC[N@@H+](C)CC#C ZINC000840756827 587920011 /nfs/dbraw/zinc/92/00/11/587920011.db2.gz GFFTTWQGPPQVNF-UHFFFAOYSA-N 1 0 223.345 0.039 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccoc1C ZINC000840886588 587927904 /nfs/dbraw/zinc/92/79/04/587927904.db2.gz IBEJJIGRRYVIFB-UHFFFAOYSA-N 1 0 220.272 0.817 20 30 BCEDRO Cc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)ccn1 ZINC000841166224 587948088 /nfs/dbraw/zinc/94/80/88/587948088.db2.gz MBDYIGABUZQRNP-GXSJLCMTSA-N 1 0 245.286 0.045 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC1([NH+](C)C)CC1 ZINC000841454902 587955415 /nfs/dbraw/zinc/95/54/15/587955415.db2.gz OUNLUSVMFKFHFR-JTQLQIEISA-N 1 0 224.304 0.235 20 30 BCEDRO C[NH+](C)C1(CNC(=O)C#CC2CC2)CC1 ZINC000841454917 587955510 /nfs/dbraw/zinc/95/55/10/587955510.db2.gz QMIWNQVEYUZDQD-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO CNC(=S)N(C)N=C1CC[N@@H+]2CCC[C@H]12 ZINC000841645823 587965975 /nfs/dbraw/zinc/96/59/75/587965975.db2.gz IEQCYUSFWHFVEE-SECBINFHSA-N 1 0 226.349 0.647 20 30 BCEDRO C[C@H](O)CN(C)N=C1CC[N@H+](C)[C@H](C)C1 ZINC000841650235 587967267 /nfs/dbraw/zinc/96/72/67/587967267.db2.gz DYLWEUNWQBFLHT-ZJUUUORDSA-N 1 0 213.325 0.769 20 30 BCEDRO CCc1ccc(C=NNC2=[NH+]CCN2)o1 ZINC000841660996 587969481 /nfs/dbraw/zinc/96/94/81/587969481.db2.gz MIBFDNPFZHFGAG-UHFFFAOYSA-N 1 0 206.249 0.725 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1cccc2c1OCO2 ZINC000841660543 587969781 /nfs/dbraw/zinc/96/97/81/587969781.db2.gz ZMTACKXQGKBBMK-UHFFFAOYSA-N 1 0 232.243 0.298 20 30 BCEDRO Cc1ccc(C=NNC2=[NH+]CCN2)cc1 ZINC000841661030 587970210 /nfs/dbraw/zinc/97/02/10/587970210.db2.gz JIBHOYNSGVBQCM-UHFFFAOYSA-N 1 0 202.261 0.878 20 30 BCEDRO Cc1ccc(O)c(C=NNC2=[NH+]CCN2)c1 ZINC000841662023 587970302 /nfs/dbraw/zinc/97/03/02/587970302.db2.gz VKAJWJZHJUJPJI-UHFFFAOYSA-N 1 0 218.260 0.583 20 30 BCEDRO c1ccc2c(c1)OCCC2=NNC1=[NH+]CCN1 ZINC000841662806 587970621 /nfs/dbraw/zinc/97/06/21/587970621.db2.gz ROGHPRBWPREMFT-UHFFFAOYSA-N 1 0 230.271 0.722 20 30 BCEDRO COc1ccc(C(C)=NNC2=[NH+]CCN2)c(O)c1 ZINC000841663262 587970727 /nfs/dbraw/zinc/97/07/27/587970727.db2.gz WPXBGEUWIUTXKP-UHFFFAOYSA-N 1 0 248.286 0.674 20 30 BCEDRO COc1cc(C=NNC2=[NH+]CCN2)cc(OC)c1 ZINC000841663287 587971006 /nfs/dbraw/zinc/97/10/06/587971006.db2.gz XHQODRLMSMUSFI-UHFFFAOYSA-N 1 0 248.286 0.587 20 30 BCEDRO C=C(Br)CNC(=O)NC[C@@H](C)[NH3+] ZINC000841746462 587972795 /nfs/dbraw/zinc/97/27/95/587972795.db2.gz ZLQOEAXHRQHOMB-ZCFIWIBFSA-N 1 0 236.113 0.541 20 30 BCEDRO C#CCOc1ccccc1CNC(=O)NCC[NH3+] ZINC000841822705 587975973 /nfs/dbraw/zinc/97/59/73/587975973.db2.gz QFAAQVBLYCOUIO-UHFFFAOYSA-N 1 0 247.298 0.457 20 30 BCEDRO C#CCSCCNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000841831583 587976276 /nfs/dbraw/zinc/97/62/76/587976276.db2.gz WSCWKLCYHQVGMU-SNVBAGLBSA-N 1 0 241.360 0.356 20 30 BCEDRO C#CCSCCNC(=O)NCC[NH2+]CC ZINC000841831213 587976574 /nfs/dbraw/zinc/97/65/74/587976574.db2.gz CYGZKNFVOKERCD-UHFFFAOYSA-N 1 0 229.349 0.262 20 30 BCEDRO C#CCSCCNC(=O)N[C@@H](C)CCC[NH3+] ZINC000841832597 587976782 /nfs/dbraw/zinc/97/67/82/587976782.db2.gz QGNJQXCHLGNXJO-JTQLQIEISA-N 1 0 243.376 0.779 20 30 BCEDRO C#CCSCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000841832286 587976959 /nfs/dbraw/zinc/97/69/59/587976959.db2.gz LPWIGYZMPPZFLF-SNVBAGLBSA-N 1 0 243.376 0.635 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CNc1ccccc1 ZINC000841849809 587978014 /nfs/dbraw/zinc/97/80/14/587978014.db2.gz LPMADVFHERPEDP-PWSUYJOCSA-N 1 0 244.298 0.326 20 30 BCEDRO C#CCCCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000841859296 587978750 /nfs/dbraw/zinc/97/87/50/587978750.db2.gz GXYYBEVUSKYNHM-UHFFFAOYSA-N 1 0 223.320 0.921 20 30 BCEDRO C#CCCCCNC(=O)NC[C@H]1C[NH2+]CCO1 ZINC000841861132 587978864 /nfs/dbraw/zinc/97/88/64/587978864.db2.gz SVVNPMNVARYKID-LLVKDONJSA-N 1 0 239.319 0.078 20 30 BCEDRO C#CCCCCNC(=O)NC[C@H]([NH3+])CC ZINC000841861149 587978901 /nfs/dbraw/zinc/97/89/01/587978901.db2.gz UBAOYUHCLXJHLT-SNVBAGLBSA-N 1 0 211.309 0.826 20 30 BCEDRO C#CCCCCNC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000841860819 587979079 /nfs/dbraw/zinc/97/90/79/587979079.db2.gz PNRUGPKYQFDGBX-LLVKDONJSA-N 1 0 223.320 0.923 20 30 BCEDRO C#CCOCCNC(=O)N1CC[NH2+]C(C)(C)C1 ZINC000841874059 587979220 /nfs/dbraw/zinc/97/92/20/587979220.db2.gz CVVANUAGRKMKMR-UHFFFAOYSA-N 1 0 239.319 0.030 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H]([NH3+])CC)[C@H]1CCCO1 ZINC000841879183 587980027 /nfs/dbraw/zinc/98/00/27/587980027.db2.gz LJANVDYCYJXTHW-OUAUKWLOSA-N 1 0 239.319 0.204 20 30 BCEDRO C#C[C@H](NC(=O)N(C)[C@@H](C)C[NH3+])[C@@H]1CCCO1 ZINC000841880909 587980214 /nfs/dbraw/zinc/98/02/14/587980214.db2.gz KGGUEKINYGWCLB-DCAQKATOSA-N 1 0 239.319 0.156 20 30 BCEDRO C#CCCCNC(=O)N1CC[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000841884777 587980590 /nfs/dbraw/zinc/98/05/90/587980590.db2.gz FTTUPTPVGMATLL-NEPJUHHUSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCCCNC(=O)NC[C@@H](C)[NH2+]CC ZINC000841884786 587980985 /nfs/dbraw/zinc/98/09/85/587980985.db2.gz FYWSTNLRILIGQS-SNVBAGLBSA-N 1 0 211.309 0.697 20 30 BCEDRO C#CCCCNC(=O)NCC1CC[NH2+]CC1 ZINC000841885772 587981017 /nfs/dbraw/zinc/98/10/17/587981017.db2.gz JPNCTBNJENLBKI-UHFFFAOYSA-N 1 0 223.320 0.699 20 30 BCEDRO C#CCCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000841886648 587981495 /nfs/dbraw/zinc/98/14/95/587981495.db2.gz PRUZJYQGOHUOIA-JTQLQIEISA-N 1 0 209.293 0.451 20 30 BCEDRO C=CCONC(=O)NCC1(C)CC[NH2+]CC1 ZINC000841913829 587985020 /nfs/dbraw/zinc/98/50/20/587985020.db2.gz VIYLODOGDKRLGV-UHFFFAOYSA-N 1 0 227.308 0.793 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841921015 587985250 /nfs/dbraw/zinc/98/52/50/587985250.db2.gz IQHZTSOICCNUTJ-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCCC[NH2+]C(C)C ZINC000841934544 587985675 /nfs/dbraw/zinc/98/56/75/587985675.db2.gz ZOLZFSIUOCMYQT-SNVBAGLBSA-N 1 0 211.309 0.695 20 30 BCEDRO C#CCCNC(=O)NCCC[NH2+]C(C)C ZINC000841933399 587986030 /nfs/dbraw/zinc/98/60/30/587986030.db2.gz BILHBKSKCUBYIT-UHFFFAOYSA-N 1 0 211.309 0.697 20 30 BCEDRO C#CCCNC(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000841935899 587986036 /nfs/dbraw/zinc/98/60/36/587986036.db2.gz BRXOUGFEQNMAST-NSHDSACASA-N 1 0 223.320 0.699 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC1CCC([NH3+])CC1 ZINC000841945712 587986108 /nfs/dbraw/zinc/98/61/08/587986108.db2.gz UVLDDVNKFQHGAD-UHFFFAOYSA-N 1 0 247.342 0.924 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[NH2+]C1)C1CCCC1 ZINC000841940677 587986205 /nfs/dbraw/zinc/98/62/05/587986205.db2.gz GKTRCUFRPCWIDY-LLVKDONJSA-N 1 0 235.331 0.936 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000841941854 587986386 /nfs/dbraw/zinc/98/63/86/587986386.db2.gz RPJNCBCDVNBYIS-MRVPVSSYSA-N 1 0 217.700 0.790 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000841955025 587986792 /nfs/dbraw/zinc/98/67/92/587986792.db2.gz YDODTJOBIDCQCK-NXEZZACHSA-N 1 0 211.309 0.681 20 30 BCEDRO C#CCCNC(=O)NC[C@]1(C)CCC[NH2+]C1 ZINC000841973189 587987252 /nfs/dbraw/zinc/98/72/52/587987252.db2.gz QJDTUYUBUKVZNK-GFCCVEGCSA-N 1 0 223.320 0.699 20 30 BCEDRO C=C(Cl)CNC(=O)NCC1([NH3+])CCC1 ZINC000841969270 587987440 /nfs/dbraw/zinc/98/74/40/587987440.db2.gz IQJIFAQUVXPKEF-UHFFFAOYSA-N 1 0 217.700 0.920 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000841978729 587987690 /nfs/dbraw/zinc/98/76/90/587987690.db2.gz PJADKSYNNRMHMQ-UWVGGRQHSA-N 1 0 209.293 0.449 20 30 BCEDRO C#C[C@H](C)NC(=O)NCCC1=CC[NH2+]CC1 ZINC000841985418 587988060 /nfs/dbraw/zinc/98/80/60/587988060.db2.gz LZUNVWMNSQUWRA-JTQLQIEISA-N 1 0 221.304 0.617 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@@H](C)[C@H](C)[NH3+] ZINC000842005658 587988675 /nfs/dbraw/zinc/98/86/75/587988675.db2.gz OMUONAZELOBZAU-BQBZGAKWSA-N 1 0 205.689 0.774 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842007215 587988687 /nfs/dbraw/zinc/98/86/87/587988687.db2.gz WUYSTHHFDXTVHQ-MNOVXSKESA-N 1 0 223.320 0.840 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[C@@H]2C[NH2+]C[C@@H]2C1 ZINC000842015917 587988859 /nfs/dbraw/zinc/98/88/59/587988859.db2.gz ROAKKQJBKFXCOI-GRYCIOLGSA-N 1 0 235.331 0.697 20 30 BCEDRO C#CC[C@H]1NC(=O)N(CC[N@@H+](CC)C2CC2)C1=O ZINC000842240177 588008342 /nfs/dbraw/zinc/00/83/42/588008342.db2.gz NQSJMTOHNMCMDM-LLVKDONJSA-N 1 0 249.314 0.414 20 30 BCEDRO CCN(CCO)N=C1CC[N@@H+]2CCC[C@@H]12 ZINC000842536869 588036129 /nfs/dbraw/zinc/03/61/29/588036129.db2.gz CNGYDCOFUFSLHE-NSHDSACASA-N 1 0 211.309 0.525 20 30 BCEDRO C#CCO[C@H](C)c1nc(C[C@H](C)[NH2+]C)no1 ZINC000842634255 588047270 /nfs/dbraw/zinc/04/72/70/588047270.db2.gz CMKSEVRFHCHHQZ-DTWKUNHWSA-N 1 0 223.276 0.931 20 30 BCEDRO C#CCSCC[NH2+]Cc1cncnc1OC ZINC000842682766 588052312 /nfs/dbraw/zinc/05/23/12/588052312.db2.gz LLFGHISORPMDLB-UHFFFAOYSA-N 1 0 237.328 0.941 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](O)CC(C)C ZINC000843067615 588078742 /nfs/dbraw/zinc/07/87/42/588078742.db2.gz BLRKCLNKFMKELB-NSHDSACASA-N 1 0 226.320 0.123 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(CO)cc1 ZINC000843075379 588079802 /nfs/dbraw/zinc/07/98/02/588079802.db2.gz JBXGJJYRSBLPHQ-UHFFFAOYSA-N 1 0 246.310 0.408 20 30 BCEDRO CCCCCC[C@H](O)C[NH2+]CC#CCO ZINC000843079671 588080277 /nfs/dbraw/zinc/08/02/77/588080277.db2.gz LFQJPZHVJPUOKA-LBPRGKRZSA-N 1 0 213.321 0.903 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000843102512 588081423 /nfs/dbraw/zinc/08/14/23/588081423.db2.gz XKWMGFWPJMBZNU-GJZGRUSLSA-N 1 0 247.338 0.954 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)CCOC(C)C ZINC000843102756 588081743 /nfs/dbraw/zinc/08/17/43/588081743.db2.gz YXYSEKALNPBPGW-STQMWFEESA-N 1 0 243.347 0.526 20 30 BCEDRO C#CC1CC[NH+]([C@@H]2CC(=O)N(C3CC3)C2=O)CC1 ZINC000843269717 588096499 /nfs/dbraw/zinc/09/64/99/588096499.db2.gz QPCSOWLAVULLKM-GFCCVEGCSA-N 1 0 246.310 0.622 20 30 BCEDRO C[C@H](CCO)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000843400126 588106504 /nfs/dbraw/zinc/10/65/04/588106504.db2.gz NMECOHFMUILFLF-SECBINFHSA-N 1 0 245.286 0.461 20 30 BCEDRO CCN(OC)C(=O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000843431036 588109315 /nfs/dbraw/zinc/10/93/15/588109315.db2.gz VNPFCPKCUAHECK-NXEZZACHSA-N 1 0 225.292 0.678 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccc1N ZINC000843459008 588111860 /nfs/dbraw/zinc/11/18/60/588111860.db2.gz BGOZNTIJOGLEFG-KWQFWETISA-N 1 0 230.271 0.110 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C/c1ccco1 ZINC000843461631 588112218 /nfs/dbraw/zinc/11/22/18/588112218.db2.gz MNLTWOUBNXTEJM-IDFWJGBYSA-N 1 0 231.255 0.521 20 30 BCEDRO COCC1(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000843460311 588112478 /nfs/dbraw/zinc/11/24/78/588112478.db2.gz NORIRDLEZBMREO-ZJUUUORDSA-N 1 0 237.303 0.031 20 30 BCEDRO C[C@@H]1[C@H](C(=O)Nc2cnn(CC#N)c2)CC[N@@H+]1C ZINC000843779755 588139584 /nfs/dbraw/zinc/13/95/84/588139584.db2.gz UUTIIWGUBLHXRB-MWLCHTKSSA-N 1 0 247.302 0.685 20 30 BCEDRO CC#CC(=O)N(CCC)[C@@H]1CC[N@H+](C)C1 ZINC000843986476 588153225 /nfs/dbraw/zinc/15/32/25/588153225.db2.gz AVOBLNUCQPTEQE-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CC1CCN(C(=O)[C@H]2CCC[N@H+]2C)CC1 ZINC000844045186 588157864 /nfs/dbraw/zinc/15/78/64/588157864.db2.gz CGKHKNUJESMKIG-GFCCVEGCSA-N 1 0 220.316 0.952 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1CC=CC1 ZINC000844194995 588173452 /nfs/dbraw/zinc/17/34/52/588173452.db2.gz OPWQUPBVFZTAMA-UWVGGRQHSA-N 1 0 205.261 0.180 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844323202 588185153 /nfs/dbraw/zinc/18/51/53/588185153.db2.gz DWLQUZQOTXRHNE-KOLCDFICSA-N 1 0 222.288 0.923 20 30 BCEDRO C=CCC[C@@H](C)N1CCn2nnc(CO)c2C1 ZINC000844333691 588185767 /nfs/dbraw/zinc/18/57/67/588185767.db2.gz PNVARNIGJMMOGC-SNVBAGLBSA-N 1 0 236.319 0.941 20 30 BCEDRO CCC[C@H](C)[C@H](CO)[NH2+]CC(=O)NCCC#N ZINC000844376496 588188126 /nfs/dbraw/zinc/18/81/26/588188126.db2.gz CWJFLEGMFIQIMD-QWRGUYRKSA-N 1 0 241.335 0.403 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCC[C@H]1OC ZINC000844404764 588190683 /nfs/dbraw/zinc/19/06/83/588190683.db2.gz GQOZLYJTCWZIJW-QJPTWQEYSA-N 1 0 238.331 0.672 20 30 BCEDRO C[C@H](CCO)[N@@H+](C)CCO[C@@H](C)C#N ZINC000844448611 588195154 /nfs/dbraw/zinc/19/51/54/588195154.db2.gz GIPPKVYQNGIDOC-ZJUUUORDSA-N 1 0 200.282 0.618 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)[C@H](C)CCO ZINC000844448589 588195219 /nfs/dbraw/zinc/19/52/19/588195219.db2.gz GIPPKVYQNGIDOC-NXEZZACHSA-N 1 0 200.282 0.618 20 30 BCEDRO C#CCNC(=O)CN(C)CC[NH+]1CCCCC1 ZINC000844464759 588197355 /nfs/dbraw/zinc/19/73/55/588197355.db2.gz SABLVBWYLLVPCC-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO C=C[C@H](C)ONC(=O)NCCOCC[NH+](C)C ZINC000845624066 588237631 /nfs/dbraw/zinc/23/76/31/588237631.db2.gz RDLKQEZEUHSFLP-JTQLQIEISA-N 1 0 245.323 0.370 20 30 BCEDRO C#CCOCCNC(=O)NCCC1(C[NH3+])CC1 ZINC000846164702 588258974 /nfs/dbraw/zinc/25/89/74/588258974.db2.gz WWTFHZKKCJYVTJ-UHFFFAOYSA-N 1 0 239.319 0.064 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H](N)CC[NH+](C)C ZINC000846671401 588282091 /nfs/dbraw/zinc/28/20/91/588282091.db2.gz SEEWJJNWGIWYBJ-MRVPVSSYSA-N 1 0 219.716 0.134 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)cc1O ZINC000846678099 588282251 /nfs/dbraw/zinc/28/22/51/588282251.db2.gz QWULOCGOSDKXEM-GHMZBOCLSA-N 1 0 245.282 0.542 20 30 BCEDRO C=CC[N@@H+](C[C@@H](O)CN(C)CCOC)C(C)C ZINC000846775804 588287576 /nfs/dbraw/zinc/28/75/76/588287576.db2.gz CSHILPWADGJURW-ZDUSSCGKSA-N 1 0 244.379 0.822 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)CN(C)CCOC)C(C)C ZINC000846775802 588287631 /nfs/dbraw/zinc/28/76/31/588287631.db2.gz CSHILPWADGJURW-CYBMUJFWSA-N 1 0 244.379 0.822 20 30 BCEDRO CC#CC(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000846989549 588300575 /nfs/dbraw/zinc/30/05/75/588300575.db2.gz RUQJPKGYQZHBDC-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO CC[C@@H](CC#N)NC[C@@H](O)C[NH+]1CCCC1 ZINC000846996310 588300871 /nfs/dbraw/zinc/30/08/71/588300871.db2.gz WGQAYNNVMDLJLX-NWDGAFQWSA-N 1 0 225.336 0.725 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000847019369 588301756 /nfs/dbraw/zinc/30/17/56/588301756.db2.gz PJXUZLPURAHROS-NWDGAFQWSA-N 1 0 241.356 0.766 20 30 BCEDRO C#C[C@@H]1CCCN(C[C@H](O)C[N@@H+](C)CC)C1 ZINC000847019389 588302046 /nfs/dbraw/zinc/30/20/46/588302046.db2.gz PRQWIKLPXVHIIC-CHWSQXEVSA-N 1 0 224.348 0.644 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@](C)(O)C(C)=O)C1 ZINC000847019428 588302086 /nfs/dbraw/zinc/30/20/86/588302086.db2.gz QFAQXCCZWASRTL-NWDGAFQWSA-N 1 0 209.289 0.672 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)N(C)C2CC2)C1 ZINC000847021484 588302702 /nfs/dbraw/zinc/30/27/02/588302702.db2.gz MMAJESGOGOTJBQ-LLVKDONJSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)N(C)CC)C1 ZINC000847023064 588303107 /nfs/dbraw/zinc/30/31/07/588303107.db2.gz KTQSQCJPAOZWSH-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC2(CO)COC2)C1 ZINC000847023475 588303252 /nfs/dbraw/zinc/30/32/52/588303252.db2.gz CNARCAIGLHDBIU-LLVKDONJSA-N 1 0 209.289 0.341 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)N2CCOCC2)C1 ZINC000847025151 588303540 /nfs/dbraw/zinc/30/35/40/588303540.db2.gz BRLGNPHHKBXHGP-LBPRGKRZSA-N 1 0 236.315 0.190 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCC(=O)NCC)C1 ZINC000847024896 588303753 /nfs/dbraw/zinc/30/37/53/588303753.db2.gz UJBICLCDJPRGTF-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000847026496 588304076 /nfs/dbraw/zinc/30/40/76/588304076.db2.gz ZPYPFSAHXIYFPL-JTQLQIEISA-N 1 0 237.303 0.307 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC(=O)NCCCOC)C1 ZINC000847028717 588304173 /nfs/dbraw/zinc/30/41/73/588304173.db2.gz KHUQSOBRXUQESH-LBPRGKRZSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](CC)[C@H]1CCCCO1 ZINC000847090790 588306118 /nfs/dbraw/zinc/30/61/18/588306118.db2.gz SKSUBLPUZAWREZ-NWDGAFQWSA-N 1 0 238.331 0.673 20 30 BCEDRO C#C[C@H]1CCCN(C(=O)NCCC[NH+](C)C)C1 ZINC000847261078 588309986 /nfs/dbraw/zinc/30/99/86/588309986.db2.gz AIEQRVGFQHGQPI-LBPRGKRZSA-N 1 0 237.347 0.993 20 30 BCEDRO CC#CC(=O)N[C@H](CO)CC[NH+](CC)CC ZINC000848024910 588348543 /nfs/dbraw/zinc/34/85/43/588348543.db2.gz LHWALODIWRQOPN-NSHDSACASA-N 1 0 226.320 0.219 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000848035067 588349105 /nfs/dbraw/zinc/34/91/05/588349105.db2.gz KORKOZQGGFLTTF-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848350914 588372870 /nfs/dbraw/zinc/37/28/70/588372870.db2.gz VOFOGAFEBNHLQZ-QWRGUYRKSA-N 1 0 206.289 0.753 20 30 BCEDRO C=C(CO)C(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@H]12 ZINC000848351674 588373083 /nfs/dbraw/zinc/37/30/83/588373083.db2.gz FUOFTZMYCGVMBY-VXGBXAGGSA-N 1 0 238.331 0.668 20 30 BCEDRO CN1CCN([NH+]=Cc2cccc(F)c2N)CC1 ZINC000848399984 588377484 /nfs/dbraw/zinc/37/74/84/588377484.db2.gz YDGINBVSSVSDQL-UHFFFAOYSA-N 1 0 236.294 0.989 20 30 BCEDRO NC(=[NH2+])NN=Cc1cc2n(n1)CCCC2 ZINC000848404980 588377804 /nfs/dbraw/zinc/37/78/04/588377804.db2.gz VRDJXCZBECJWJJ-UHFFFAOYSA-N 1 0 206.253 0.036 20 30 BCEDRO NC(=O)CON=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848407952 588378924 /nfs/dbraw/zinc/37/89/24/588378924.db2.gz VVBQDBIKQPXEGJ-JTQLQIEISA-N 1 0 225.292 0.493 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=NCCCn1ccnc1 ZINC000848418551 588382363 /nfs/dbraw/zinc/38/23/63/588382363.db2.gz NMHHMXIRKNKBBU-LLVKDONJSA-N 1 0 235.335 0.800 20 30 BCEDRO C/C(=C\c1ccco1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000848419638 588382809 /nfs/dbraw/zinc/38/28/09/588382809.db2.gz ZSNJKFHYFYQMAH-PUDJUEJWSA-N 1 0 245.282 0.911 20 30 BCEDRO C/C(=C/c1ccco1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000848419639 588383016 /nfs/dbraw/zinc/38/30/16/588383016.db2.gz ZSNJKFHYFYQMAH-XIBBCFBLSA-N 1 0 245.282 0.911 20 30 BCEDRO C=CCCCCCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000848613559 588401957 /nfs/dbraw/zinc/40/19/57/588401957.db2.gz KXFZGXBIUCNVLW-JTQLQIEISA-N 1 0 241.335 0.312 20 30 BCEDRO N#CCCCCc1nc(N2CC[NH2+]CC2)no1 ZINC000848630838 588403281 /nfs/dbraw/zinc/40/32/81/588403281.db2.gz SNXHAMAIPMMWQC-UHFFFAOYSA-N 1 0 235.291 0.716 20 30 BCEDRO C[NH+]=C(NCCCN1CCOCC1)NC1CC1 ZINC000848980423 588423193 /nfs/dbraw/zinc/42/31/93/588423193.db2.gz KKZPWTBWMACRAR-UHFFFAOYSA-N 1 0 240.351 0.036 20 30 BCEDRO COC(=O)CCCCCNC1=[NH+]C[C@H](C)N1 ZINC000848981663 588424005 /nfs/dbraw/zinc/42/40/05/588424005.db2.gz NBUFFWVMIZQNPL-VIFPVBQESA-N 1 0 227.308 0.657 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2ccc3c(c2)OCO3)N1 ZINC000848982832 588424658 /nfs/dbraw/zinc/42/46/58/588424658.db2.gz XQDQSMZVKYIHIT-SECBINFHSA-N 1 0 247.298 0.895 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCNc2ncccc2C#N)N1 ZINC000848989535 588426557 /nfs/dbraw/zinc/42/65/57/588426557.db2.gz JFSXNNLYVFXXGK-SECBINFHSA-N 1 0 244.302 0.302 20 30 BCEDRO CCNC(NC[C@H](O)c1ccco1)=[NH+]CC ZINC000848989712 588426625 /nfs/dbraw/zinc/42/66/25/588426625.db2.gz UVWLQMUZXBAXBE-VIFPVBQESA-N 1 0 225.292 0.888 20 30 BCEDRO CCNC(NC[C@@H](O)c1ccco1)=[NH+]CC ZINC000848989711 588426758 /nfs/dbraw/zinc/42/67/58/588426758.db2.gz UVWLQMUZXBAXBE-SECBINFHSA-N 1 0 225.292 0.888 20 30 BCEDRO C[NH+]=C(NC[C@@H](O)c1ccco1)NC1CC1 ZINC000848989716 588426776 /nfs/dbraw/zinc/42/67/76/588426776.db2.gz VIAMBHOIXMFWCO-SECBINFHSA-N 1 0 223.276 0.640 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H](O)COCC(C)C ZINC000848990741 588427093 /nfs/dbraw/zinc/42/70/93/588427093.db2.gz MAGXRGXSGXZQMY-JTQLQIEISA-N 1 0 229.324 0.320 20 30 BCEDRO CNC(NCc1ccc([S@](C)=O)cc1)=[NH+]C ZINC000848993225 588427814 /nfs/dbraw/zinc/42/78/14/588427814.db2.gz LCUGUEJUQLYTOI-INIZCTEOSA-N 1 0 239.344 0.719 20 30 BCEDRO CCNC(NCCCNC(=O)C(C)C)=[NH+]CC ZINC000848992901 588427900 /nfs/dbraw/zinc/42/79/00/588427900.db2.gz CJBGNSJEZDQXMX-UHFFFAOYSA-N 1 0 242.367 0.724 20 30 BCEDRO C=CCNC(=[NH2+])NCCN1CCO[C@@H](C)C1 ZINC000848996529 588429037 /nfs/dbraw/zinc/42/90/37/588429037.db2.gz CBNJSILINFSIAF-JTQLQIEISA-N 1 0 226.324 0.007 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nc(C2CC2)no1 ZINC000848998210 588430118 /nfs/dbraw/zinc/43/01/18/588430118.db2.gz FVGXADUEFXJNQZ-UHFFFAOYSA-N 1 0 221.264 0.747 20 30 BCEDRO Cn1cc(CCCNC2=[NH+]CCCN2C)cn1 ZINC000849001638 588430793 /nfs/dbraw/zinc/43/07/93/588430793.db2.gz KYULKARHIQEAHO-UHFFFAOYSA-N 1 0 235.335 0.634 20 30 BCEDRO C[C@H](C#N)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000849003832 588431873 /nfs/dbraw/zinc/43/18/73/588431873.db2.gz JBJVYPGZCJQXCN-RKDXNWHRSA-N 1 0 210.281 0.439 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCOc2cccnc2)N1 ZINC000849005504 588432531 /nfs/dbraw/zinc/43/25/31/588432531.db2.gz HHJMHEWLMHNIJU-VIFPVBQESA-N 1 0 220.276 0.398 20 30 BCEDRO C=CCNC(=[NH2+])NCCOC[C@H]1CCOC1 ZINC000849006478 588432981 /nfs/dbraw/zinc/43/29/81/588432981.db2.gz BJSMKHDBYVVGCB-JTQLQIEISA-N 1 0 227.308 0.339 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1cccc(C(N)=O)c1 ZINC000849006291 588433028 /nfs/dbraw/zinc/43/30/28/588433028.db2.gz SXTMEBAONOXORS-UHFFFAOYSA-N 1 0 246.314 0.628 20 30 BCEDRO CCc1cc(CNC(NC2CC2)=[NH+]C)[nH]n1 ZINC000849007763 588433410 /nfs/dbraw/zinc/43/34/10/588433410.db2.gz QMNJQNSTBWLYPV-UHFFFAOYSA-N 1 0 221.308 0.800 20 30 BCEDRO CNC(NCc1ccn(C(C)C)n1)=[NH+]C ZINC000849008152 588433496 /nfs/dbraw/zinc/43/34/96/588433496.db2.gz VDDNTKFGMSVUQV-UHFFFAOYSA-N 1 0 209.297 0.759 20 30 BCEDRO N#CCOc1ccc(CNC(N)=[NH2+])cc1 ZINC000849008691 588434010 /nfs/dbraw/zinc/43/40/10/588434010.db2.gz LZWGAWUDSSCVEI-UHFFFAOYSA-N 1 0 204.233 0.572 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCS(=O)(=O)C(C)(C)C)N1 ZINC000849008738 588434112 /nfs/dbraw/zinc/43/41/12/588434112.db2.gz PMGOGDAMAYRXGU-MRVPVSSYSA-N 1 0 247.364 0.137 20 30 BCEDRO CN1CC[NH+]=C1NCCCO[C@H]1CCOC1 ZINC000849012648 588435479 /nfs/dbraw/zinc/43/54/79/588435479.db2.gz JLRWECRQTCLYJG-JTQLQIEISA-N 1 0 227.308 0.073 20 30 BCEDRO CC#CCNC(NCc1ccco1)=[NH+]C ZINC000849014785 588436379 /nfs/dbraw/zinc/43/63/79/588436379.db2.gz DDBDNYCRWHHYRD-UHFFFAOYSA-N 1 0 205.261 0.968 20 30 BCEDRO CN1CC[NH+]=C1NCCc1ccc(CO)cc1 ZINC000849016680 588437025 /nfs/dbraw/zinc/43/70/25/588437025.db2.gz CSOOQSKGCHVLSV-UHFFFAOYSA-N 1 0 233.315 0.612 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])N(C)C1CC1 ZINC000849016150 588437103 /nfs/dbraw/zinc/43/71/03/588437103.db2.gz PRMNLNITJPLQJP-VIFPVBQESA-N 1 0 211.309 0.790 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])N1CCSCC1 ZINC000849016164 588437105 /nfs/dbraw/zinc/43/71/05/588437105.db2.gz QJYBWQATRUAMCX-JTQLQIEISA-N 1 0 243.376 0.744 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])NCCCOCC ZINC000849016045 588437127 /nfs/dbraw/zinc/43/71/27/588437127.db2.gz WVFQESVNXBEOIF-NSHDSACASA-N 1 0 243.351 0.712 20 30 BCEDRO COC[C@H](C[NH+]=C(N(C)C)N(C)C)OC ZINC000849017132 588437283 /nfs/dbraw/zinc/43/72/83/588437283.db2.gz FXUNJPREUIWDPT-VIFPVBQESA-N 1 0 217.313 0.127 20 30 BCEDRO CC(C)OC(=O)CCCNC1=[NH+]CCCN1C ZINC000849019644 588438065 /nfs/dbraw/zinc/43/80/65/588438065.db2.gz RITJEAWSXLNVCQ-UHFFFAOYSA-N 1 0 241.335 0.999 20 30 BCEDRO CC(C)OC(=O)CCCNC1=[NH+]C[C@H](C)N1 ZINC000849019673 588438118 /nfs/dbraw/zinc/43/81/18/588438118.db2.gz WVOQGBVJDKABSK-VIFPVBQESA-N 1 0 227.308 0.656 20 30 BCEDRO N#Cc1ccc(CNC(=[NH2+])NC2CC2)nc1 ZINC000849020929 588438923 /nfs/dbraw/zinc/43/89/23/588438923.db2.gz WYFZUHTWEGXUCZ-UHFFFAOYSA-N 1 0 215.260 0.730 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000849020741 588438931 /nfs/dbraw/zinc/43/89/31/588438931.db2.gz CCDFQDMBAQHYKY-UHFFFAOYSA-N 1 0 233.275 0.214 20 30 BCEDRO N#Cc1ccc(CNC(=[NH2+])N2CCC2)nc1 ZINC000849020812 588438944 /nfs/dbraw/zinc/43/89/44/588438944.db2.gz LFGDNQDJKXGDNV-UHFFFAOYSA-N 1 0 215.260 0.683 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000849020873 588438973 /nfs/dbraw/zinc/43/89/73/588438973.db2.gz RCEUNDIGJHXAQN-VIFPVBQESA-N 1 0 247.302 0.602 20 30 BCEDRO CNC(NC[C@@H](c1ccnn1C)C(C)C)=[NH+]C ZINC000849021623 588439258 /nfs/dbraw/zinc/43/92/58/588439258.db2.gz PKHGXEQPTAPSDD-SNVBAGLBSA-N 1 0 237.351 0.955 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NCC2(C#N)CC2)CCO1 ZINC000849026102 588440490 /nfs/dbraw/zinc/44/04/90/588440490.db2.gz VMRLUYBUBOWRJY-SECBINFHSA-N 1 0 222.292 0.535 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CCOC[C@@H]1C)NC1CC1 ZINC000849027350 588440941 /nfs/dbraw/zinc/44/09/41/588440941.db2.gz SRBAGIDUDOKXEX-UWVGGRQHSA-N 1 0 225.336 0.986 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@H](CO)c1cccnc1 ZINC000849028986 588441764 /nfs/dbraw/zinc/44/17/64/588441764.db2.gz SVFNFMVOKPSXIC-GFCCVEGCSA-N 1 0 248.330 0.848 20 30 BCEDRO CNC(NCc1ccc(C#N)c(OC)c1)=[NH+]C ZINC000849029495 588441811 /nfs/dbraw/zinc/44/18/11/588441811.db2.gz PPXZNDYOJGQWMA-UHFFFAOYSA-N 1 0 232.287 0.862 20 30 BCEDRO C[NH+]=C(NC[C@@H](CO)C(C)C)NC1CC1 ZINC000849028641 588441960 /nfs/dbraw/zinc/44/19/60/588441960.db2.gz SQEFEDLLVJUMFM-VIFPVBQESA-N 1 0 213.325 0.578 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](CO)c1cccnc1 ZINC000849028987 588441986 /nfs/dbraw/zinc/44/19/86/588441986.db2.gz SVFNFMVOKPSXIC-LBPRGKRZSA-N 1 0 248.330 0.848 20 30 BCEDRO C=CCNC(=[NH2+])NCC[C@](C)(O)COC ZINC000849034453 588444421 /nfs/dbraw/zinc/44/44/21/588444421.db2.gz VXYXJZXPXNVCKR-JTQLQIEISA-N 1 0 215.297 0.074 20 30 BCEDRO C[NH+]=C(NCC1=CCOCC1)NC1CC1 ZINC000849035121 588444727 /nfs/dbraw/zinc/44/47/27/588444727.db2.gz QNJLZGVFRWUFBF-UHFFFAOYSA-N 1 0 209.293 0.661 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CCOC[C@H]1OC ZINC000849035319 588444803 /nfs/dbraw/zinc/44/48/03/588444803.db2.gz CPLCNEDXDNZCGW-NXEZZACHSA-N 1 0 227.308 0.338 20 30 BCEDRO CN(C)C(=[NH+]CCC(C)(C)CO)N(C)C ZINC000849035820 588445155 /nfs/dbraw/zinc/44/51/55/588445155.db2.gz YKIKQTKOMZSBQK-UHFFFAOYSA-N 1 0 215.341 0.874 20 30 BCEDRO CCC1(CNC(NC2CC2)=[NH+]C)COC1 ZINC000849038563 588446370 /nfs/dbraw/zinc/44/63/70/588446370.db2.gz RUYKKAZVCGSHDU-UHFFFAOYSA-N 1 0 211.309 0.740 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCN1CCC(O)CC1 ZINC000849038450 588446489 /nfs/dbraw/zinc/44/64/89/588446489.db2.gz OFIUYSQLUHRSPI-UHFFFAOYSA-N 1 0 240.351 0.133 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CC[C@@H](C)O1)NC1CC1 ZINC000849039533 588447291 /nfs/dbraw/zinc/44/72/91/588447291.db2.gz DNNCWCQMCJFRMO-SCZZXKLOSA-N 1 0 211.309 0.881 20 30 BCEDRO CC(C)(CC#N)CNC(=[NH2+])N1CCOCC1 ZINC000849040410 588447463 /nfs/dbraw/zinc/44/74/63/588447463.db2.gz JVOSFLVKPDHILD-UHFFFAOYSA-N 1 0 224.308 0.783 20 30 BCEDRO C=CCNC(=[NH2+])NCCC(C)(C)S(C)(=O)=O ZINC000849042564 588448184 /nfs/dbraw/zinc/44/81/84/588448184.db2.gz SMCDQIIZNVHFPL-UHFFFAOYSA-N 1 0 247.364 0.500 20 30 BCEDRO C=CCn1cc(CNC(=[NH2+])N[C@H](C)CC)nn1 ZINC000849044568 588449053 /nfs/dbraw/zinc/44/90/53/588449053.db2.gz XPCOIENMKNLSLF-SECBINFHSA-N 1 0 236.323 0.877 20 30 BCEDRO C[NH+]=C(NCC1(N(C)C)CC1)NC1CC1 ZINC000849043832 588449220 /nfs/dbraw/zinc/44/92/20/588449220.db2.gz WJVLVWUGXHSQFC-UHFFFAOYSA-N 1 0 210.325 0.408 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](CC)C(=O)OC ZINC000849046954 588450268 /nfs/dbraw/zinc/45/02/68/588450268.db2.gz ZKZPXOIKKINZLT-MRVPVSSYSA-N 1 0 213.281 0.486 20 30 BCEDRO CC[C@@H](C[NH+]=C(N(C)C)N(C)C)C(=O)OC ZINC000849046936 588450407 /nfs/dbraw/zinc/45/04/07/588450407.db2.gz ZCGVXDIVHSAQAZ-VIFPVBQESA-N 1 0 229.324 0.665 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC[C@]1(O)CCOC1 ZINC000849047749 588450809 /nfs/dbraw/zinc/45/08/09/588450809.db2.gz UPLCICAYBMPUKH-NSHDSACASA-N 1 0 227.308 0.218 20 30 BCEDRO CN(C)C(=[NH+]CC[C@@]1(O)CCCOC1)N(C)C ZINC000849048469 588451171 /nfs/dbraw/zinc/45/11/71/588451171.db2.gz HRQIQCFTMMNVPC-LBPRGKRZSA-N 1 0 243.351 0.397 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000849077566 588452401 /nfs/dbraw/zinc/45/24/01/588452401.db2.gz GFAWZSUAGCSECA-UHFFFAOYSA-N 1 0 215.260 0.753 20 30 BCEDRO CNC(NCc1ccc(CNC(C)=O)cc1)=[NH+]C ZINC000849215019 588461773 /nfs/dbraw/zinc/46/17/73/588461773.db2.gz JFRKGHKJMLLDLT-UHFFFAOYSA-N 1 0 248.330 0.618 20 30 BCEDRO CNC(NC[C@@H](CC(=O)OC)C1CC1)=[NH+]C ZINC000849215037 588461785 /nfs/dbraw/zinc/46/17/85/588461785.db2.gz JWLNPFNZOVMYQJ-SECBINFHSA-N 1 0 227.308 0.371 20 30 BCEDRO CNC(NCc1cccc2c1OCCO2)=[NH+]C ZINC000849214626 588461853 /nfs/dbraw/zinc/46/18/53/588461853.db2.gz YNKDLUULFHRRQS-UHFFFAOYSA-N 1 0 235.287 0.753 20 30 BCEDRO CCNC(NCC)=[NH+]OC1CCOCC1 ZINC000849214698 588461910 /nfs/dbraw/zinc/46/19/10/588461910.db2.gz GYJXFOOIDLSOAN-UHFFFAOYSA-N 1 0 215.297 0.672 20 30 BCEDRO CCNC(NC[C@H](OC)[C@@H]1CCOC1)=[NH+]CC ZINC000849215185 588462050 /nfs/dbraw/zinc/46/20/50/588462050.db2.gz SYKZXBZULMZYSQ-MNOVXSKESA-N 1 0 243.351 0.613 20 30 BCEDRO C#CCNC(=O)N(CC)[C@@H]1CC[N@H+](CC)C1 ZINC000849227812 588464015 /nfs/dbraw/zinc/46/40/15/588464015.db2.gz SESLTQWPCLCTHF-LLVKDONJSA-N 1 0 223.320 0.745 20 30 BCEDRO C#CCCS(=O)(=O)N(C)Cc1c[nH]cn1 ZINC000849406687 588477126 /nfs/dbraw/zinc/47/71/26/588477126.db2.gz AMQGJBOMKZFZQJ-UHFFFAOYSA-N 1 0 227.289 0.195 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCCn2nccc21 ZINC000850460387 588548118 /nfs/dbraw/zinc/54/81/18/588548118.db2.gz ZNKWFXVWDHTVLT-NSHDSACASA-N 1 0 219.288 0.957 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000851664239 588613878 /nfs/dbraw/zinc/61/38/78/588613878.db2.gz USWWNMBTAKYQFW-WPRPVWTQSA-N 1 0 210.281 0.279 20 30 BCEDRO C=CCN(C(=O)C(=O)N[C@H](C)C[NH2+]C)C(C)C ZINC000851690324 588614717 /nfs/dbraw/zinc/61/47/17/588614717.db2.gz AQOQDJYYNZXMDE-SNVBAGLBSA-N 1 0 241.335 0.134 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H](C)C[NH2+]C ZINC000851681742 588614744 /nfs/dbraw/zinc/61/47/44/588614744.db2.gz QWDUSBIFKGOHTA-LLVKDONJSA-N 1 0 221.304 0.262 20 30 BCEDRO C#CCOCC[NH+]1CCC(C(=O)OCC)CC1 ZINC000851718875 588616636 /nfs/dbraw/zinc/61/66/36/588616636.db2.gz RAWCRMSZDYFZSB-UHFFFAOYSA-N 1 0 239.315 0.911 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000851730466 588619231 /nfs/dbraw/zinc/61/92/31/588619231.db2.gz OWYWGZBQMFIPKQ-JTQLQIEISA-N 1 0 211.261 0.131 20 30 BCEDRO C#CCOCC[N@@H+]1CCCC[C@H]1C1OCCO1 ZINC000851749352 588622581 /nfs/dbraw/zinc/62/25/81/588622581.db2.gz DRGICBYDVVGNHI-LBPRGKRZSA-N 1 0 239.315 0.864 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](COC)C1 ZINC000851771355 588624982 /nfs/dbraw/zinc/62/49/82/588624982.db2.gz CBPAOSVEBZHSEA-LBPRGKRZSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](CC(N)=O)C1 ZINC000851799162 588630140 /nfs/dbraw/zinc/63/01/40/588630140.db2.gz QWKMCHRROAWKDR-LLVKDONJSA-N 1 0 224.304 0.224 20 30 BCEDRO C#CC[N@@H+](CC)C[C@](O)(C(N)=O)c1ccccc1 ZINC000851799345 588630353 /nfs/dbraw/zinc/63/03/53/588630353.db2.gz OHFNBUXFQMDXNZ-CQSZACIVSA-N 1 0 246.310 0.315 20 30 BCEDRO C#CCOCCN1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000851801482 588630810 /nfs/dbraw/zinc/63/08/10/588630810.db2.gz KUSXPISAEUNQQB-ZDUSSCGKSA-N 1 0 224.348 0.910 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](c2nnc(C)[nH]2)C1 ZINC000851811360 588632697 /nfs/dbraw/zinc/63/26/97/588632697.db2.gz VVEVZYNCXQHRJN-LBPRGKRZSA-N 1 0 248.330 0.942 20 30 BCEDRO C#CCOCC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000851868199 588633520 /nfs/dbraw/zinc/63/35/20/588633520.db2.gz KJOOBDCTTCAOPF-RYUDHWBXSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[N@@H+](C)C[C@@H]1CCN(C(C)=O)C1 ZINC000851868280 588636561 /nfs/dbraw/zinc/63/65/61/588636561.db2.gz LMUUFVCAWCNFFX-ZDUSSCGKSA-N 1 0 238.331 0.436 20 30 BCEDRO C#CCOCC[N@@H+](C)C[C@@H]1CCC[C@H]1O ZINC000851868198 588636626 /nfs/dbraw/zinc/63/66/26/588636626.db2.gz KJOOBDCTTCAOPF-NWDGAFQWSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[NH+]1CCC(O)(COC)CC1 ZINC000851871826 588637530 /nfs/dbraw/zinc/63/75/30/588637530.db2.gz WCSFZYLQSRBWGL-UHFFFAOYSA-N 1 0 227.304 0.110 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](OCCOC)C1 ZINC000851872978 588637562 /nfs/dbraw/zinc/63/75/62/588637562.db2.gz SILHTDOCGZQSHF-CYBMUJFWSA-N 1 0 241.331 0.764 20 30 BCEDRO C[C@@H](C(N)=O)[N@H+](C)CCc1ccc(C#N)cc1 ZINC000851891273 588641153 /nfs/dbraw/zinc/64/11/53/588641153.db2.gz NXMFZOGPUBSGIS-JTQLQIEISA-N 1 0 231.299 0.906 20 30 BCEDRO C#CCOCC[N@@H+]1CCN(C)[C@H](C)[C@@H]1C ZINC000851889837 588641200 /nfs/dbraw/zinc/64/12/00/588641200.db2.gz PQZPMKMRESDULT-NEPJUHHUSA-N 1 0 210.321 0.661 20 30 BCEDRO C#CCCS(=O)(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000851895192 588641804 /nfs/dbraw/zinc/64/18/04/588641804.db2.gz CAMPWMCCGICGEG-LLVKDONJSA-N 1 0 244.360 0.269 20 30 BCEDRO C#CCOCC[NH2+][C@H](CO)C1CCOCC1 ZINC000851919010 588643567 /nfs/dbraw/zinc/64/35/67/588643567.db2.gz FLROBUIXQRSTBV-GFCCVEGCSA-N 1 0 227.304 0.013 20 30 BCEDRO C#CCOCC[N@@H+]1CCOCC2(CC2)C1 ZINC000851919504 588643641 /nfs/dbraw/zinc/64/36/41/588643641.db2.gz KACXZBZPYVCFMU-UHFFFAOYSA-N 1 0 209.289 0.749 20 30 BCEDRO C#CCOCC[NH2+][C@H](C)[C@H](C)C(=O)OCC ZINC000851932013 588645249 /nfs/dbraw/zinc/64/52/49/588645249.db2.gz ASEZJDNBQBQDSZ-WDEREUQCSA-N 1 0 227.304 0.814 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1CCCC[C@H]1C(N)=O ZINC000851934133 588645320 /nfs/dbraw/zinc/64/53/20/588645320.db2.gz ZFZHSYNOAQUAIT-GHMZBOCLSA-N 1 0 224.304 0.270 20 30 BCEDRO C#CCOCC[NH2+][C@H](CCO)c1ccco1 ZINC000851941933 588646151 /nfs/dbraw/zinc/64/61/51/588646151.db2.gz FTIMSEYFDOLGNZ-LLVKDONJSA-N 1 0 223.272 0.943 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](COC)OC)[C@@H]1CCCO1 ZINC000851951098 588646951 /nfs/dbraw/zinc/64/69/51/588646951.db2.gz UUAMXFKKSNLJPO-SRVKXCTJSA-N 1 0 227.304 0.418 20 30 BCEDRO C#C[C@H]([NH2+]CCc1cn[nH]n1)[C@@H]1CCCO1 ZINC000851949578 588647116 /nfs/dbraw/zinc/64/71/16/588647116.db2.gz GJTWVAYJHPFEPR-QWRGUYRKSA-N 1 0 220.276 0.118 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](COC)OC)[C@H]1CCCO1 ZINC000851951097 588647190 /nfs/dbraw/zinc/64/71/90/588647190.db2.gz UUAMXFKKSNLJPO-SDDRHHMPSA-N 1 0 227.304 0.418 20 30 BCEDRO C#CCOCCN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000851955083 588647532 /nfs/dbraw/zinc/64/75/32/588647532.db2.gz ZUZGFZSWXXXUTM-QWHCGFSZSA-N 1 0 240.347 0.023 20 30 BCEDRO C#CCOCC[NH+]1CCC(O)(C(F)F)CC1 ZINC000851956516 588647707 /nfs/dbraw/zinc/64/77/07/588647707.db2.gz GWTYMWYGGNNVSP-UHFFFAOYSA-N 1 0 233.258 0.728 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@H]1CC[C@H](O)CC1 ZINC000851969484 588649686 /nfs/dbraw/zinc/64/96/86/588649686.db2.gz FNAZFMRDXQQTSS-HAQNSBGRSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCOCC[N@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000851974965 588649893 /nfs/dbraw/zinc/64/98/93/588649893.db2.gz MRRMAPWBVJABPD-QJPTWQEYSA-N 1 0 236.315 0.222 20 30 BCEDRO C#CCOCC[NH2+][C@H]1CCC[C@@H]1C(=O)NC ZINC000851983350 588651423 /nfs/dbraw/zinc/65/14/23/588651423.db2.gz GYMVRIIZIIMNAH-QWRGUYRKSA-N 1 0 224.304 0.141 20 30 BCEDRO C#C[C@@H](C)N(C)C[C@H](O)C[N@@H+](C)C(C)C ZINC000851988718 588652263 /nfs/dbraw/zinc/65/22/63/588652263.db2.gz CLZFXPHLRSNAHV-VXGBXAGGSA-N 1 0 212.337 0.641 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@@H](OC)[C@@H]1CCOC1 ZINC000851990792 588653053 /nfs/dbraw/zinc/65/30/53/588653053.db2.gz WJUSCBVWVSLIGW-QJPTWQEYSA-N 1 0 211.305 0.991 20 30 BCEDRO C#CCN(CC#N)C[C@H](O)C[N@@H+](C)C(C)C ZINC000852009454 588654561 /nfs/dbraw/zinc/65/45/61/588654561.db2.gz JAVICLMDJCZXQQ-GFCCVEGCSA-N 1 0 223.320 0.146 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](OC(F)F)C1 ZINC000852017893 588655665 /nfs/dbraw/zinc/65/56/65/588655665.db2.gz GLJYYCNXQDNKKO-VIFPVBQESA-N 1 0 219.231 0.950 20 30 BCEDRO C#CCOCC[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000852038239 588656869 /nfs/dbraw/zinc/65/68/69/588656869.db2.gz LJXFPXICLHLEKR-ZDUSSCGKSA-N 1 0 239.315 0.518 20 30 BCEDRO C#CCC[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000852057206 588658146 /nfs/dbraw/zinc/65/81/46/588658146.db2.gz YXVBAZRGYSOCOL-UHFFFAOYSA-N 1 0 219.292 0.590 20 30 BCEDRO C#CCOCC[N@@H+]1CCC(F)(F)[C@H](CO)C1 ZINC000852072015 588659445 /nfs/dbraw/zinc/65/94/45/588659445.db2.gz XDNBHYQKMCEKPK-JTQLQIEISA-N 1 0 233.258 0.586 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCCN(C)C1=O ZINC000852101816 588660757 /nfs/dbraw/zinc/66/07/57/588660757.db2.gz UKCAELBZNJXSSM-ZYHUDNBSSA-N 1 0 208.305 0.999 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NCCC(=O)OC ZINC000852096387 588661866 /nfs/dbraw/zinc/66/18/66/588661866.db2.gz AZZHUVJMGXNSGB-GFCCVEGCSA-N 1 0 240.303 0.057 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000852098417 588662167 /nfs/dbraw/zinc/66/21/67/588662167.db2.gz MKZZFZCQWGRHCG-LBPRGKRZSA-N 1 0 237.303 0.366 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NC(=O)NC1CC1 ZINC000852098416 588662376 /nfs/dbraw/zinc/66/23/76/588662376.db2.gz MKZZFZCQWGRHCG-GFCCVEGCSA-N 1 0 237.303 0.366 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCCOC(=O)NC(N)=O ZINC000852101785 588663035 /nfs/dbraw/zinc/66/30/35/588663035.db2.gz SXMOKEAYQUZJKU-LLVKDONJSA-N 1 0 241.291 0.573 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@](C)(O)C(=O)OCC ZINC000852101498 588663185 /nfs/dbraw/zinc/66/31/85/588663185.db2.gz QAVJJJCUWJPGOT-NEPJUHHUSA-N 1 0 227.304 0.692 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](OC(=O)N(C)C)C1 ZINC000852113340 588664754 /nfs/dbraw/zinc/66/47/54/588664754.db2.gz ZNLFLSRBFNRPDI-NSHDSACASA-N 1 0 240.303 0.409 20 30 BCEDRO C#C[C@H]1COCCN1C[C@@H]1CCC(=O)O1 ZINC000852161118 588668417 /nfs/dbraw/zinc/66/84/17/588668417.db2.gz FOTWQCIBFIPRAF-UWVGGRQHSA-N 1 0 209.245 0.026 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000852171400 588669286 /nfs/dbraw/zinc/66/92/86/588669286.db2.gz FHTVFJRTJJECPZ-NSHDSACASA-N 1 0 224.304 0.046 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](CO)[C@@H]1C ZINC000852176345 588669633 /nfs/dbraw/zinc/66/96/33/588669633.db2.gz ANPVVHMOTQPIQP-NWDGAFQWSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCOCC[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000852186253 588670507 /nfs/dbraw/zinc/67/05/07/588670507.db2.gz YQTQJZXHIRCCBM-NEPJUHHUSA-N 1 0 211.305 0.587 20 30 BCEDRO C#C[C@@H]1CCCN([C@H]2CON(CC)C2=O)C1 ZINC000852215282 588673228 /nfs/dbraw/zinc/67/32/28/588673228.db2.gz GTXRWHVHZMDZBH-MNOVXSKESA-N 1 0 222.288 0.494 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@H]2CNC(=O)C2)C1 ZINC000852214927 588673468 /nfs/dbraw/zinc/67/34/68/588673468.db2.gz ACVXYULOQJNCLY-QWRGUYRKSA-N 1 0 206.289 0.468 20 30 BCEDRO C#CCOCC[N@H+]1CCCCC[C@H]1CO ZINC000852217072 588673671 /nfs/dbraw/zinc/67/36/71/588673671.db2.gz UAONTSAXXZUHBK-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000852264087 588675136 /nfs/dbraw/zinc/67/51/36/588675136.db2.gz XJCCGMDAWGMCJT-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO N#CCCN1CCC2=C(CCC(=O)N2)C1 ZINC000852301685 588677135 /nfs/dbraw/zinc/67/71/35/588677135.db2.gz PYRHTTUECVLHCD-UHFFFAOYSA-N 1 0 205.261 0.770 20 30 BCEDRO C#CCC[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852296531 588677341 /nfs/dbraw/zinc/67/73/41/588677341.db2.gz WHRHPFKULFDPCI-UHFFFAOYSA-N 1 0 204.273 0.880 20 30 BCEDRO N#CCCOCC[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295674 588677428 /nfs/dbraw/zinc/67/74/28/588677428.db2.gz HSTJHLPMBLVWEW-UHFFFAOYSA-N 1 0 249.314 0.786 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)CC1C[NH+](C)C1)C(C)C ZINC000852304536 588677568 /nfs/dbraw/zinc/67/75/68/588677568.db2.gz LLLMXVGXCANAAG-GFCCVEGCSA-N 1 0 237.347 0.847 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+]([C@H]2CCC(=O)NC2=O)C1 ZINC000852319468 588678164 /nfs/dbraw/zinc/67/81/64/588678164.db2.gz NJJUQRDUGYQIBV-UWVGGRQHSA-N 1 0 235.287 0.417 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852438734 588682357 /nfs/dbraw/zinc/68/23/57/588682357.db2.gz WOEWYTZOSBATOH-LLVKDONJSA-N 1 0 222.288 0.926 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@H]2NC(=O)CC[C@@H]2C1 ZINC000852495056 588685555 /nfs/dbraw/zinc/68/55/55/588685555.db2.gz JJUYHSZQANRJOU-VXGBXAGGSA-N 1 0 236.315 0.237 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000852534272 588688933 /nfs/dbraw/zinc/68/89/33/588688933.db2.gz JSOQECMGLPULGJ-GRYCIOLGSA-N 1 0 224.304 0.883 20 30 BCEDRO C#CCOCC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000852581280 588691514 /nfs/dbraw/zinc/69/15/14/588691514.db2.gz JXCZAYVCDOJTET-WDEREUQCSA-N 1 0 209.289 0.529 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@H]1C[C@@H](O)C12CCC2 ZINC000852583273 588691831 /nfs/dbraw/zinc/69/18/31/588691831.db2.gz UVVONSMYLVBQCF-OUAUKWLOSA-N 1 0 224.304 0.808 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[C@@H]2C1 ZINC000852636638 588693726 /nfs/dbraw/zinc/69/37/26/588693726.db2.gz YUZFMVAYULBKGB-HBNTYKKESA-N 1 0 206.289 0.466 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000852669116 588695219 /nfs/dbraw/zinc/69/52/19/588695219.db2.gz MKDRZRGGXAPPFR-SRVKXCTJSA-N 1 0 236.315 0.093 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CN2CCCC2=O)C1 ZINC000852682396 588695443 /nfs/dbraw/zinc/69/54/43/588695443.db2.gz ZKMIQJKECQRUSM-NSHDSACASA-N 1 0 206.289 0.564 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCc1cnn(C)c1 ZINC000852748515 588699511 /nfs/dbraw/zinc/69/95/11/588699511.db2.gz CBJBODWARHUSDA-UHFFFAOYSA-N 1 0 235.331 0.934 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCn1ccnc1 ZINC000852751214 588699878 /nfs/dbraw/zinc/69/98/78/588699878.db2.gz SZZNQLRAZAFFIM-UHFFFAOYSA-N 1 0 221.304 0.855 20 30 BCEDRO COCC#CC[NH+]1CCC(NC(=O)OC)CC1 ZINC000852767130 588700884 /nfs/dbraw/zinc/70/08/84/588700884.db2.gz OCEVDMDQGXPOBD-UHFFFAOYSA-N 1 0 240.303 0.457 20 30 BCEDRO C#CCNC(=O)C[N@H+](C)C[C@@H]1CC1(C)C ZINC000852774398 588702024 /nfs/dbraw/zinc/70/20/24/588702024.db2.gz URHBFUXBWCRFCZ-JTQLQIEISA-N 1 0 208.305 0.714 20 30 BCEDRO CC12CC(C1)C[N@@H+]2CC(=O)NCCC#N ZINC000852785946 588702341 /nfs/dbraw/zinc/70/23/41/588702341.db2.gz RZOHJDKLEATSEM-UHFFFAOYSA-N 1 0 207.277 0.501 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCc1ccccn1 ZINC000852789527 588702656 /nfs/dbraw/zinc/70/26/56/588702656.db2.gz AUSXYMIPDNZGEQ-UHFFFAOYSA-N 1 0 243.310 0.701 20 30 BCEDRO CC[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852800591 588704292 /nfs/dbraw/zinc/70/42/92/588704292.db2.gz PMOPNARIFOTENN-JTQLQIEISA-N 1 0 208.305 0.904 20 30 BCEDRO CCOCCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852801513 588704684 /nfs/dbraw/zinc/70/46/84/588704684.db2.gz OMZYALWPIWMHDJ-UHFFFAOYSA-N 1 0 238.331 0.532 20 30 BCEDRO Cn1ccc(NC(=O)C#CC2CC[NH2+]CC2)n1 ZINC000852806994 588704984 /nfs/dbraw/zinc/70/49/84/588704984.db2.gz NJKOELHABJSEGI-UHFFFAOYSA-N 1 0 232.287 0.362 20 30 BCEDRO C[C@@H]1C[C@@H]1CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852812680 588705281 /nfs/dbraw/zinc/70/52/81/588705281.db2.gz DQIOGAUAJGAPEX-ZYHUDNBSSA-N 1 0 220.316 0.762 20 30 BCEDRO C[C@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852820703 588705905 /nfs/dbraw/zinc/70/59/05/588705905.db2.gz AVDIUSKQNBYMOX-NSHDSACASA-N 1 0 220.316 0.858 20 30 BCEDRO COc1cc(C(=O)NC[C@@H](C)C[NH3+])ccc1C#N ZINC000852825352 588705933 /nfs/dbraw/zinc/70/59/33/588705933.db2.gz OWZLVGQLUALVLU-VIFPVBQESA-N 1 0 247.298 0.891 20 30 BCEDRO CO[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)C1CCC1 ZINC000852827097 588706141 /nfs/dbraw/zinc/70/61/41/588706141.db2.gz BINACFSNFLRUOL-VWYCJHECSA-N 1 0 237.303 0.029 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(CF)cc1 ZINC000852827264 588706278 /nfs/dbraw/zinc/70/62/78/588706278.db2.gz FIGNVXDZMJLCOR-NWDGAFQWSA-N 1 0 247.273 0.997 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CC2(CC2)C1 ZINC000852827343 588706324 /nfs/dbraw/zinc/70/63/24/588706324.db2.gz GZLATTKJEJRBRK-NXEZZACHSA-N 1 0 219.288 0.404 20 30 BCEDRO COC(C)(C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852841705 588707345 /nfs/dbraw/zinc/70/73/45/588707345.db2.gz OYCWVKZWQNFGFD-UHFFFAOYSA-N 1 0 238.331 0.531 20 30 BCEDRO C=CC[C@@]1(C(=O)NCc2nncn2C)CCC[NH2+]1 ZINC000852859264 588708808 /nfs/dbraw/zinc/70/88/08/588708808.db2.gz QXBFSFRQEYTVHZ-LBPRGKRZSA-N 1 0 249.318 0.130 20 30 BCEDRO CN(C(=O)C#CC1CC[NH2+]CC1)c1cn[nH]c1 ZINC000852871913 588709876 /nfs/dbraw/zinc/70/98/76/588709876.db2.gz FBSUSVSLQQXVFC-UHFFFAOYSA-N 1 0 232.287 0.376 20 30 BCEDRO CC1(C)OC[C@@H]2C[C@@]21C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852875792 588710013 /nfs/dbraw/zinc/71/00/13/588710013.db2.gz PQYUUOLEVUNJQQ-XHSYRHOGSA-N 1 0 249.314 0.029 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1C[C@H]2C[C@H]2C1 ZINC000852892531 588711840 /nfs/dbraw/zinc/71/18/40/588711840.db2.gz HROGYJYESROYDM-CLLJXQQHSA-N 1 0 232.327 0.904 20 30 BCEDRO C#CCNC(=O)C[C@@H]1[NH2+]Cc2ccccc21 ZINC000852894789 588712085 /nfs/dbraw/zinc/71/20/85/588712085.db2.gz UKXUTLIAANDPNC-LBPRGKRZSA-N 1 0 214.268 0.970 20 30 BCEDRO Cc1cnn(C)c1NC(=O)C#CC1CC[NH2+]CC1 ZINC000852901367 588712549 /nfs/dbraw/zinc/71/25/49/588712549.db2.gz FIZQEKNHQLOJCQ-UHFFFAOYSA-N 1 0 246.314 0.670 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@]2(F)CC[NH2+]C2)C1 ZINC000852916374 588713009 /nfs/dbraw/zinc/71/30/09/588713009.db2.gz HDKZRRBDNSTCND-MNOVXSKESA-N 1 0 225.267 0.450 20 30 BCEDRO C=CCOCCNC(=O)C=C1CC[NH2+]CC1 ZINC000852915624 588713073 /nfs/dbraw/zinc/71/30/73/588713073.db2.gz JFMWDLZJIMUKFM-UHFFFAOYSA-N 1 0 224.304 0.615 20 30 BCEDRO C=CCCC(C)(C)NC(=O)C1=NO[C@@H](C[NH3+])C1 ZINC000852920036 588713275 /nfs/dbraw/zinc/71/32/75/588713275.db2.gz JGIOVTRUCWMNEI-SECBINFHSA-N 1 0 239.319 0.951 20 30 BCEDRO C=CCN(C(=O)C(=O)N(C)CCC[NH3+])C(C)C ZINC000852917810 588713451 /nfs/dbraw/zinc/71/34/51/588713451.db2.gz RDHRLIOSBMLRNY-UHFFFAOYSA-N 1 0 241.335 0.217 20 30 BCEDRO C#CCCCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861609499 589170219 /nfs/dbraw/zinc/17/02/19/589170219.db2.gz KMIVJJNVVTUZMG-JTQLQIEISA-N 1 0 211.309 0.779 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)NCc1ccc(C#N)cn1 ZINC000861633895 589171226 /nfs/dbraw/zinc/17/12/26/589171226.db2.gz WXJOWENTJXSIAE-VIFPVBQESA-N 1 0 247.302 0.442 20 30 BCEDRO C#C[C@H](NC(=O)N(C)C[C@@H](C)[NH3+])C(C)C ZINC000861633609 589171333 /nfs/dbraw/zinc/17/13/33/589171333.db2.gz QZYVKYXHVBPKPG-ZJUUUORDSA-N 1 0 211.309 0.633 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)NCC(C)(C)CC#N ZINC000861637404 589171621 /nfs/dbraw/zinc/17/16/21/589171621.db2.gz KJVHEQZMVNHVKS-VIFPVBQESA-N 1 0 226.324 0.915 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861658913 589173641 /nfs/dbraw/zinc/17/36/41/589173641.db2.gz RKIAJBZGXPGPOE-NXEZZACHSA-N 1 0 221.304 0.592 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000861689557 589174603 /nfs/dbraw/zinc/17/46/03/589174603.db2.gz GGAIEQKXDAKHSS-IVZWLZJFSA-N 1 0 209.293 0.448 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCCOCCC[NH3+] ZINC000861692752 589174907 /nfs/dbraw/zinc/17/49/07/589174907.db2.gz JHLHNILKXCFRGV-LLVKDONJSA-N 1 0 241.335 0.453 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[NH2+][C@H]1C)C1CC1 ZINC000861702926 589175153 /nfs/dbraw/zinc/17/51/53/589175153.db2.gz BOTSTTYMVGYKEJ-GXSJLCMTSA-N 1 0 221.304 0.544 20 30 BCEDRO C#CCN(CC)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861701225 589175278 /nfs/dbraw/zinc/17/52/78/589175278.db2.gz PXAXAQDLRVDCRZ-VHSXEESVSA-N 1 0 209.293 0.402 20 30 BCEDRO C=CC(C)(C)CCNC(=O)C(=O)N[C@@H](C)C[NH3+] ZINC000861778783 589177546 /nfs/dbraw/zinc/17/75/46/589177546.db2.gz CRNYJHQCGPHNQX-VIFPVBQESA-N 1 0 241.335 0.168 20 30 BCEDRO C#CCOCCC(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861911628 589183229 /nfs/dbraw/zinc/18/32/29/589183229.db2.gz XEJKUIRJMPOAHP-PJXYFTJBSA-N 1 0 236.315 0.045 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cn2cccnc2n1 ZINC000862550157 589220796 /nfs/dbraw/zinc/22/07/96/589220796.db2.gz JCCWEUPFEZYYEA-LLVKDONJSA-N 1 0 244.298 0.857 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@]12C[C@H]1COC2(C)C ZINC000862689291 589232668 /nfs/dbraw/zinc/23/26/68/589232668.db2.gz MNDBCAZKBPCSMX-GXFFZTMASA-N 1 0 238.331 0.788 20 30 BCEDRO Cc1cc(=O)nc(NN=C2CN3C[C@@H]2CCC3)[nH]1 ZINC000863062848 589253321 /nfs/dbraw/zinc/25/33/21/589253321.db2.gz IRPASLOULQYJCD-VIFPVBQESA-N 1 0 247.302 0.984 20 30 BCEDRO COc1ccnc(C(C)=NNC2=[NH+]C[C@@H](C)N2)c1 ZINC000863104839 589256398 /nfs/dbraw/zinc/25/63/98/589256398.db2.gz FVAWHDNKJFUVKA-MRVPVSSYSA-N 1 0 247.302 0.752 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnc(C3CC3)o2)N1 ZINC000863105723 589256731 /nfs/dbraw/zinc/25/67/31/589256731.db2.gz YRGNENHITBEKKJ-ZETCQYMHSA-N 1 0 233.275 0.823 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccns1 ZINC000863105654 589256866 /nfs/dbraw/zinc/25/68/66/589256866.db2.gz WYMWZPZPGRSNMT-ZCFIWIBFSA-N 1 0 223.305 0.804 20 30 BCEDRO CC(C)(O)CNN=C1CC[N@@H+]2CCC[C@H]12 ZINC000863138762 589262471 /nfs/dbraw/zinc/26/24/71/589262471.db2.gz SXDUTIJKNPUNMW-SNVBAGLBSA-N 1 0 211.309 0.571 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863557133 589298891 /nfs/dbraw/zinc/29/88/91/589298891.db2.gz JQKRYSZEHZHPGC-ZDUSSCGKSA-N 1 0 249.358 0.586 20 30 BCEDRO C#CCOc1ccc(C(=O)NCCC[NH3+])cc1 ZINC000863583953 589301612 /nfs/dbraw/zinc/30/16/12/589301612.db2.gz MLWNPXNYGLOEQJ-UHFFFAOYSA-N 1 0 232.283 0.777 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000863589076 589302525 /nfs/dbraw/zinc/30/25/25/589302525.db2.gz JKGUEHUNPISNKG-NWDGAFQWSA-N 1 0 238.331 0.915 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](O)CSC ZINC000863588583 589302675 /nfs/dbraw/zinc/30/26/75/589302675.db2.gz CCQGHGPEPBMTNL-MNOVXSKESA-N 1 0 231.361 0.728 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC#C)CCOC ZINC000863588458 589302701 /nfs/dbraw/zinc/30/27/01/589302701.db2.gz AEMVDMHJJSHZJP-LBPRGKRZSA-N 1 0 236.315 0.144 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@H](O)C1CC1 ZINC000863589715 589302800 /nfs/dbraw/zinc/30/28/00/589302800.db2.gz VSLJYZNFEXNTNC-NEPJUHHUSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)CCOC(C)C ZINC000863589900 589302827 /nfs/dbraw/zinc/30/28/27/589302827.db2.gz ZGJZGGLESDGNCY-OLZOCXBDSA-N 1 0 243.347 0.790 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@H](O)CSC ZINC000863588584 589302853 /nfs/dbraw/zinc/30/28/53/589302853.db2.gz CCQGHGPEPBMTNL-QWRGUYRKSA-N 1 0 231.361 0.728 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)C[N@@H+](C)CCC ZINC000863788363 589318078 /nfs/dbraw/zinc/31/80/78/589318078.db2.gz NYIHANDAOJDWLJ-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)C[N@H+](C)C(C)C ZINC000863789249 589318635 /nfs/dbraw/zinc/31/86/35/589318635.db2.gz YIJQLORIZVSXRN-LBPRGKRZSA-N 1 0 240.347 0.871 20 30 BCEDRO C[C@@H]1CC(NC(=O)C[N@H+](C)C2CCC2)=NO1 ZINC000863901938 589324546 /nfs/dbraw/zinc/32/45/46/589324546.db2.gz IJHVQIMEVBNIKB-MRVPVSSYSA-N 1 0 225.292 0.709 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C[N@H+](C)C1CCC1 ZINC000863944655 589328483 /nfs/dbraw/zinc/32/84/83/589328483.db2.gz PAKHOOANFMDZBA-LLVKDONJSA-N 1 0 238.331 0.625 20 30 BCEDRO N#CCC1CN(C(=O)C2C[NH+]([C@@H]3CCOC3)C2)C1 ZINC000864068696 589338527 /nfs/dbraw/zinc/33/85/27/589338527.db2.gz VDRQKBVKCMGTKR-GFCCVEGCSA-N 1 0 249.314 0.079 20 30 BCEDRO CNC(NCc1cc(C)ccc1O)=[NH+]C ZINC000864357420 589354970 /nfs/dbraw/zinc/35/49/70/589354970.db2.gz WOJRNUXNUKYLLL-UHFFFAOYSA-N 1 0 207.277 0.995 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000864422744 589361191 /nfs/dbraw/zinc/36/11/91/589361191.db2.gz NOSOWJVVFJKBEF-WDEREUQCSA-N 1 0 221.304 0.355 20 30 BCEDRO C#CCSCCNC(=[NH2+])N[C@H]1C[C@@H]1C ZINC000864461122 589368673 /nfs/dbraw/zinc/36/86/73/589368673.db2.gz MHBLXTYHFLPNSH-IUCAKERBSA-N 1 0 211.334 0.875 20 30 BCEDRO C[C@@H](CNC(=O)[C@@]1(C#N)CCCOC1)[NH+](C)C ZINC000864829245 589396799 /nfs/dbraw/zinc/39/67/99/589396799.db2.gz YGQWPFVGGWFNGF-CMPLNLGQSA-N 1 0 239.319 0.373 20 30 BCEDRO C[C@H](CNC(=O)[C@]1(C#N)CCCOC1)[NH+](C)C ZINC000864829253 589397084 /nfs/dbraw/zinc/39/70/84/589397084.db2.gz YGQWPFVGGWFNGF-PWSUYJOCSA-N 1 0 239.319 0.373 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)c2coc(C#N)c2)C1 ZINC000865183194 589413269 /nfs/dbraw/zinc/41/32/69/589413269.db2.gz AXUJTDGBQHHCPB-JTQLQIEISA-N 1 0 233.271 0.975 20 30 BCEDRO C#CCNC(=O)N1CCCCC[C@H]([NH3+])C1 ZINC000865343925 589422603 /nfs/dbraw/zinc/42/26/03/589422603.db2.gz VYLQHLWXXYQEKJ-JTQLQIEISA-N 1 0 209.293 0.533 20 30 BCEDRO C#CCNC(=O)N[C@H]1CC[NH2+]CC(C)(C)C1 ZINC000865342921 589422664 /nfs/dbraw/zinc/42/26/64/589422664.db2.gz FICZSCWEGKFJJC-JTQLQIEISA-N 1 0 223.320 0.697 20 30 BCEDRO C#CCNC(=O)NCC[C@@H]([NH3+])Cc1ccccc1 ZINC000865343752 589422804 /nfs/dbraw/zinc/42/28/04/589422804.db2.gz SJQDDORDPSRZGK-CYBMUJFWSA-N 1 0 245.326 0.879 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000865345311 589423139 /nfs/dbraw/zinc/42/31/39/589423139.db2.gz ZPFLOWFQKNKWGG-NXEZZACHSA-N 1 0 207.277 0.156 20 30 BCEDRO C=CCN(CC(=O)OCC)C[C@H](C)CO ZINC000120721706 589461453 /nfs/dbraw/zinc/46/14/53/589461453.db2.gz XNJMZVYABCZCPK-JTQLQIEISA-N 1 0 215.293 0.666 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ccc(F)nn1 ZINC000865834160 589463817 /nfs/dbraw/zinc/46/38/17/589463817.db2.gz KSHKIRCPLIQXTL-UHFFFAOYSA-N 1 0 222.267 0.983 20 30 BCEDRO Cn1ncc(C#N)c1N1CC[C@@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000866208747 589480517 /nfs/dbraw/zinc/48/05/17/589480517.db2.gz ODINMFKUCAHXRL-CMPLNLGQSA-N 1 0 245.330 0.822 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)[C@@]1(C#N)CCCOC1 ZINC000866310734 589485884 /nfs/dbraw/zinc/48/58/84/589485884.db2.gz OWXHDHOFHCJJJJ-GFCCVEGCSA-N 1 0 239.319 0.327 20 30 BCEDRO CC1(C)CN(C(=O)c2coc(C#N)c2)CC[NH2+]1 ZINC000866325339 589486570 /nfs/dbraw/zinc/48/65/70/589486570.db2.gz BEXBVRABLOIVRI-UHFFFAOYSA-N 1 0 233.271 0.975 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCC(CNC(C)=O)CC1 ZINC000866391871 589489572 /nfs/dbraw/zinc/48/95/72/589489572.db2.gz RKLRSMUEXLXMBL-OTTFEQOBSA-N 1 0 240.347 0.818 20 30 BCEDRO COC(=O)[C@H](c1ccc(C#N)cc1)N(C)CC[NH3+] ZINC000866666590 589509366 /nfs/dbraw/zinc/50/93/66/589509366.db2.gz SKIAKPHHOOPAFA-LBPRGKRZSA-N 1 0 247.298 0.663 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@H]3[NH2+]CC[C@H]32)C1=O ZINC000866726399 589516368 /nfs/dbraw/zinc/51/63/68/589516368.db2.gz ZOSWPRQJJRQGEM-UPJWGTAASA-N 1 0 249.358 0.600 20 30 BCEDRO C=CCCS(=O)(=O)N1C2CCC1(C[NH3+])CC2 ZINC000866794467 589518832 /nfs/dbraw/zinc/51/88/32/589518832.db2.gz LACFZZUURWSWLB-UHFFFAOYSA-N 1 0 244.360 0.848 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000866827787 589519697 /nfs/dbraw/zinc/51/96/97/589519697.db2.gz SMJXTUGMFRXCPJ-MNOVXSKESA-N 1 0 244.360 0.719 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000867840332 589536989 /nfs/dbraw/zinc/53/69/89/589536989.db2.gz PUNBRUZJVMNRBD-NSHDSACASA-N 1 0 248.330 0.538 20 30 BCEDRO N#Cc1cc(C(=O)N[C@@H](C[NH3+])C2CC2)co1 ZINC000867960742 589541525 /nfs/dbraw/zinc/54/15/25/589541525.db2.gz OYYYPBQUNHCCRL-JTQLQIEISA-N 1 0 219.244 0.618 20 30 BCEDRO N#Cc1cc(C(=O)NC[C@H]2CCC[NH2+]2)co1 ZINC000867962497 589541684 /nfs/dbraw/zinc/54/16/84/589541684.db2.gz CGVZFHCMNWZHIW-SECBINFHSA-N 1 0 219.244 0.633 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)c1coc(C#N)c1 ZINC000867968166 589541902 /nfs/dbraw/zinc/54/19/02/589541902.db2.gz ACLRHBHVWPLLAI-LDYMZIIASA-N 1 0 233.271 0.879 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@@H](NC(=O)[C@H]1CC[NH2+]1)C2 ZINC000868037422 589545745 /nfs/dbraw/zinc/54/57/45/589545745.db2.gz DXGDBVSJLKZHLY-QWHCGFSZSA-N 1 0 241.294 0.504 20 30 BCEDRO C[C@H](C[NH3+])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868038241 589545747 /nfs/dbraw/zinc/54/57/47/589545747.db2.gz OMNHWHCBERSGEA-NOZJJQNGSA-N 1 0 243.310 0.736 20 30 BCEDRO C[C@H]([NH3+])C(=O)N[C@H]1Cc2ccc(C#N)cc2C1 ZINC000868037600 589545868 /nfs/dbraw/zinc/54/58/68/589545868.db2.gz GIYQPVQYMGEVAI-UFBFGSQYSA-N 1 0 229.283 0.489 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000868075501 589547680 /nfs/dbraw/zinc/54/76/80/589547680.db2.gz KHIVVPWTDVHHKU-CMPLNLGQSA-N 1 0 226.320 0.917 20 30 BCEDRO COc1ccc(NC(=O)NC2C[NH2+]C2)cc1C#N ZINC000868206641 589551860 /nfs/dbraw/zinc/55/18/60/589551860.db2.gz NMIPNAYUUAAUSX-UHFFFAOYSA-N 1 0 246.270 0.660 20 30 BCEDRO C#CCCNC(=O)N1CC[C@H]2[C@H](CC[N@H+]2C)C1 ZINC000868253621 589552875 /nfs/dbraw/zinc/55/28/75/589552875.db2.gz WJWDDQMVGMGSKO-NEPJUHHUSA-N 1 0 235.331 0.745 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)[C@@]1(C#N)CCCOC1 ZINC000868338151 589555749 /nfs/dbraw/zinc/55/57/49/589555749.db2.gz MMJUQJHDXXFRNN-CMPLNLGQSA-N 1 0 239.319 0.373 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H]1C(F)F ZINC000868605839 589567065 /nfs/dbraw/zinc/56/70/65/589567065.db2.gz JWZAKLDSALGYKP-QMMMGPOBSA-N 1 0 218.247 0.970 20 30 BCEDRO C=C1CC(C)(C(=O)NOCC[NH+](C)C)C1 ZINC000868630561 589569405 /nfs/dbraw/zinc/56/94/05/589569405.db2.gz ZXRPELKDEZYMRH-UHFFFAOYSA-N 1 0 212.293 0.952 20 30 BCEDRO C=CCCS(=O)(=O)NCCC[NH2+]C ZINC000122998525 589648196 /nfs/dbraw/zinc/64/81/96/589648196.db2.gz GWDISKPDPLLDSB-UHFFFAOYSA-N 1 0 206.311 0.091 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1C[C@@H](C)O[C@H]1C ZINC000870479225 589668040 /nfs/dbraw/zinc/66/80/40/589668040.db2.gz TXWUPFRKGNSRHD-OUAUKWLOSA-N 1 0 226.320 0.786 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[NH2+]CC2)co1 ZINC000870852529 589691623 /nfs/dbraw/zinc/69/16/23/589691623.db2.gz IQGNVQSACMPUGA-UHFFFAOYSA-N 1 0 205.217 0.197 20 30 BCEDRO N#CCc1ccsc1C(=O)N1CC[C@H]([NH3+])C1 ZINC000870934111 589698229 /nfs/dbraw/zinc/69/82/29/589698229.db2.gz FNWJMKHUVRVGFI-VIFPVBQESA-N 1 0 235.312 0.987 20 30 BCEDRO C[NH2+]CCNC(=O)c1sccc1CC#N ZINC000870936054 589698516 /nfs/dbraw/zinc/69/85/16/589698516.db2.gz YKEPJXMHSTXKLL-UHFFFAOYSA-N 1 0 223.301 0.763 20 30 BCEDRO C[C@@H]1CN(C(=O)c2coc(C#N)c2)CC[C@@H]1[NH3+] ZINC000870937261 589698772 /nfs/dbraw/zinc/69/87/72/589698772.db2.gz YICNRJRHPMDZKG-KCJUWKMLSA-N 1 0 233.271 0.961 20 30 BCEDRO CN(CC[NH3+])C(=O)c1sccc1CC#N ZINC000870946218 589700318 /nfs/dbraw/zinc/70/03/18/589700318.db2.gz RBMPATPLLREVGY-UHFFFAOYSA-N 1 0 223.301 0.845 20 30 BCEDRO C[C@@H](NC(=O)c1coc(C#N)c1)[C@H](C)[NH3+] ZINC000870947695 589700603 /nfs/dbraw/zinc/70/06/03/589700603.db2.gz RWAFJQDYCHRTTK-NKWVEPMBSA-N 1 0 207.233 0.617 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@](C)(CC)C(N)=O ZINC000888544744 589701390 /nfs/dbraw/zinc/70/13/90/589701390.db2.gz YGZKEYQFEKSMHC-LBPRGKRZSA-N 1 0 241.335 0.265 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@](C)(CC)C(N)=O ZINC000888544743 589701453 /nfs/dbraw/zinc/70/14/53/589701453.db2.gz YGZKEYQFEKSMHC-GFCCVEGCSA-N 1 0 241.335 0.265 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871157306 589740820 /nfs/dbraw/zinc/74/08/20/589740820.db2.gz KRIPWTVSSBXMEW-CYBMUJFWSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871157307 589741334 /nfs/dbraw/zinc/74/13/34/589741334.db2.gz KRIPWTVSSBXMEW-ZDUSSCGKSA-N 1 0 240.347 0.866 20 30 BCEDRO C#CCNC(=O)N(C)CCCCCC[NH3+] ZINC000871600070 589768044 /nfs/dbraw/zinc/76/80/44/589768044.db2.gz HQMSWVKXNLHKDE-UHFFFAOYSA-N 1 0 211.309 0.780 20 30 BCEDRO C#CCNC(=O)N1C[C@@H](C[NH3+])[C@@H](C(F)(F)F)C1 ZINC000871600141 589772857 /nfs/dbraw/zinc/77/28/57/589772857.db2.gz JNVZXUMPLUXGRB-SFYZADRCSA-N 1 0 249.236 0.398 20 30 BCEDRO C#C[C@@H](NC(=[NH2+])N(C)CCOC)C(C)C ZINC000871605217 589774997 /nfs/dbraw/zinc/77/49/97/589774997.db2.gz CNAQTFFHKIUERS-SNVBAGLBSA-N 1 0 211.309 0.747 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H](C)c2ccnn2C)C1=O ZINC000871925499 589833021 /nfs/dbraw/zinc/83/30/21/589833021.db2.gz CDAITTANKLRCPY-QWRGUYRKSA-N 1 0 248.330 0.858 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](C)c1ccnn1C ZINC000871926812 589833338 /nfs/dbraw/zinc/83/33/38/589833338.db2.gz KZXDZQOQUZOLKQ-NXEZZACHSA-N 1 0 236.319 0.761 20 30 BCEDRO C#CCCCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872202951 589891128 /nfs/dbraw/zinc/89/11/28/589891128.db2.gz OKCNLELYSVOBDN-NSHDSACASA-N 1 0 213.321 0.901 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)COC(C)C)[C@@H]1CCCO1 ZINC000872205942 589892388 /nfs/dbraw/zinc/89/23/88/589892388.db2.gz MKOPZQSXJQNHJX-XQQFMLRXSA-N 1 0 241.331 0.543 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CC(C)(C)O)C(C)C ZINC000872208306 589893046 /nfs/dbraw/zinc/89/30/46/589893046.db2.gz UBXVQNUDXHZRKA-MNOVXSKESA-N 1 0 213.321 0.756 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872214077 589894674 /nfs/dbraw/zinc/89/46/74/589894674.db2.gz MRVRMCHYMOLNFZ-NXEZZACHSA-N 1 0 217.309 0.035 20 30 BCEDRO COC[C@H](O)C[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000872239084 589898963 /nfs/dbraw/zinc/89/89/63/589898963.db2.gz NLKMABRVLFCYGB-UONOGXRCSA-N 1 0 246.310 0.622 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CC(C)(C)CO1 ZINC000872243628 589899563 /nfs/dbraw/zinc/89/95/63/589899563.db2.gz RFIPMPCTIYXORL-NSHDSACASA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)C[C@H](C)O ZINC000872240940 589899588 /nfs/dbraw/zinc/89/95/88/589899588.db2.gz KIIDJZXANXNTIK-QWRGUYRKSA-N 1 0 226.320 0.265 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CC12CCC2 ZINC000872251299 589900543 /nfs/dbraw/zinc/90/05/43/589900543.db2.gz NFFYMVBQUPYJSS-RYUDHWBXSA-N 1 0 237.347 0.725 20 30 BCEDRO Cc1ccc(C=NNC2=[NH+]C[C@H](C)N2)c(O)c1 ZINC000872363319 589919767 /nfs/dbraw/zinc/91/97/67/589919767.db2.gz BYLWTJRXRDMYML-VIFPVBQESA-N 1 0 232.287 0.972 20 30 BCEDRO C[NH+](C)C1(C)CCC(=NOCC(N)=O)CC1 ZINC000872362377 589919857 /nfs/dbraw/zinc/91/98/57/589919857.db2.gz ORSFSQGRHXETRQ-UHFFFAOYSA-N 1 0 227.308 0.739 20 30 BCEDRO FC(F)(F)C(F)(F)C=NNC1=[NH+]CCN1 ZINC000872385907 589929311 /nfs/dbraw/zinc/92/93/11/589929311.db2.gz UNNFDMUOOGUDKQ-UHFFFAOYSA-N 1 0 230.140 0.719 20 30 BCEDRO Cc1nnc(N=NC2CC[N@H+](C)[C@@H]2C)n1C ZINC000872390688 589931293 /nfs/dbraw/zinc/93/12/93/589931293.db2.gz RCZSUJIYBSAMPJ-SSDOTTSWSA-N 1 0 222.296 0.615 20 30 BCEDRO CC(C)(O)C[NH+]1CCC(=NN2CCC2)CC1 ZINC000872398570 589934883 /nfs/dbraw/zinc/93/48/83/589934883.db2.gz WZHZQFUXJUUDPJ-UHFFFAOYSA-N 1 0 225.336 0.915 20 30 BCEDRO C#CCN1CCN(C(=O)[C@@H](CC)[NH+](C)C)CC1 ZINC000125218437 590156570 /nfs/dbraw/zinc/15/65/70/590156570.db2.gz LYLRNJKZOMMOFZ-GFCCVEGCSA-N 1 0 237.347 0.104 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)N1CC=CC1 ZINC000875622669 590166922 /nfs/dbraw/zinc/16/69/22/590166922.db2.gz KJRDLNGLNMAACL-UHFFFAOYSA-N 1 0 221.304 0.523 20 30 BCEDRO [NH3+]CC1CCN(C(=O)C#CC2CC2)CC1 ZINC000876508430 590204961 /nfs/dbraw/zinc/20/49/61/590204961.db2.gz MOWPQDJVBHUSQJ-UHFFFAOYSA-N 1 0 206.289 0.597 20 30 BCEDRO O=C(C#CC1CC1)NC[C@H]1CCCC[NH2+]1 ZINC000876513181 590206028 /nfs/dbraw/zinc/20/60/28/590206028.db2.gz AZAWBSQUAYUYFS-LLVKDONJSA-N 1 0 206.289 0.658 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCCCOC ZINC000876546618 590207397 /nfs/dbraw/zinc/20/73/97/590207397.db2.gz NQSCWEDGLRDTQL-MRVPVSSYSA-N 1 0 220.700 0.609 20 30 BCEDRO C[C@H]1CN(C(=O)C#CC2CC2)C[C@H](C)[NH2+]1 ZINC000876530066 590209806 /nfs/dbraw/zinc/20/98/06/590209806.db2.gz JVLHSCCXFKIPSQ-UWVGGRQHSA-N 1 0 206.289 0.609 20 30 BCEDRO C[C@@H]([NH3+])[C@@H]1CCCN(C(=O)C#CC2CC2)C1 ZINC000876534787 590210888 /nfs/dbraw/zinc/21/08/88/590210888.db2.gz SYLGYGKZIIBOMG-ZYHUDNBSSA-N 1 0 220.316 0.986 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)COC ZINC000876549820 590214707 /nfs/dbraw/zinc/21/47/07/590214707.db2.gz KBDUJIAJZAGJOI-JGVFFNPUSA-N 1 0 220.700 0.607 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1ccnn1C ZINC000876578950 590218010 /nfs/dbraw/zinc/21/80/10/590218010.db2.gz IKJXBECEUJQFBF-ZETCQYMHSA-N 1 0 228.683 0.829 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](CC)COC ZINC000876577775 590218240 /nfs/dbraw/zinc/21/82/40/590218240.db2.gz NYTQWSKMHJTOOW-IUCAKERBSA-N 1 0 234.727 0.998 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCC(=O)OC ZINC000876595604 590219614 /nfs/dbraw/zinc/21/96/14/590219614.db2.gz IYIHLXOVNQNSQJ-ZETCQYMHSA-N 1 0 234.683 0.136 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC1CCOCC1 ZINC000876593998 590220026 /nfs/dbraw/zinc/22/00/26/590220026.db2.gz QKXVRYIAUXMYOY-SECBINFHSA-N 1 0 232.711 0.752 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC(C)(C)C(=O)OC ZINC000876600239 590220459 /nfs/dbraw/zinc/22/04/59/590220459.db2.gz DBQOQSVHVPJYEX-ZETCQYMHSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@@H]1CCCOC1 ZINC000876607352 590221137 /nfs/dbraw/zinc/22/11/37/590221137.db2.gz UCMOAMHGWGUHNI-UWVGGRQHSA-N 1 0 246.738 0.999 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)CC(=O)NCC ZINC000876606915 590221265 /nfs/dbraw/zinc/22/12/65/590221265.db2.gz GQEPSCZCWVCHLX-MRVPVSSYSA-N 1 0 247.726 0.051 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N1CCCOCC1 ZINC000876603888 590221382 /nfs/dbraw/zinc/22/13/82/590221382.db2.gz DIXFNWKUKJRWEY-SECBINFHSA-N 1 0 232.711 0.705 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)C(=O)OCC ZINC000876617555 590221736 /nfs/dbraw/zinc/22/17/36/590221736.db2.gz BRANOBHFBXJVCK-SFYZADRCSA-N 1 0 248.710 0.524 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CCCOC ZINC000876623946 590222945 /nfs/dbraw/zinc/22/29/45/590222945.db2.gz CBWKGSSZGLNZHV-VIFPVBQESA-N 1 0 234.727 0.951 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC[C@@H](O)CC ZINC000876636930 590223983 /nfs/dbraw/zinc/22/39/83/590223983.db2.gz NMSGRPDLGJOZMO-IUCAKERBSA-N 1 0 234.727 0.734 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)[C@@H]1CCOC1 ZINC000876647182 590225464 /nfs/dbraw/zinc/22/54/64/590225464.db2.gz ILZMVYPOOSRQEJ-BDAKNGLRSA-N 1 0 232.711 0.704 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](O)[C@H](C)CC ZINC000876658776 590227321 /nfs/dbraw/zinc/22/73/21/590227321.db2.gz FWQPYRBOMOTEJZ-JEZHCXPESA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](CC)CCO ZINC000876668045 590227940 /nfs/dbraw/zinc/22/79/40/590227940.db2.gz FMGNINKVZHDFCU-VHSXEESVSA-N 1 0 248.754 0.981 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)CCCO ZINC000876669016 590228326 /nfs/dbraw/zinc/22/83/26/590228326.db2.gz YPEFFKKVJUAEPO-BDAKNGLRSA-N 1 0 234.727 0.734 20 30 BCEDRO C#CC[NH+](CC#C)CC(C)(C)N1CCOCC1 ZINC000876745605 590235700 /nfs/dbraw/zinc/23/57/00/590235700.db2.gz ODQDOPRWMIVACG-UHFFFAOYSA-N 1 0 234.343 0.666 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)Cc1cn[nH]c1 ZINC000876766481 590239727 /nfs/dbraw/zinc/23/97/27/590239727.db2.gz LFGJPPLJWYIGBM-VIFPVBQESA-N 1 0 242.710 0.838 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCc1[nH]cnc1C ZINC000876778361 590240270 /nfs/dbraw/zinc/24/02/70/590240270.db2.gz CGGTWUOPXOAPPB-QMMMGPOBSA-N 1 0 242.710 0.804 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CCCC12CC2 ZINC000876801324 590243019 /nfs/dbraw/zinc/24/30/19/590243019.db2.gz BBCMHTZPNFDPJF-GMTAPVOTSA-N 1 0 233.315 0.794 20 30 BCEDRO CCn1cc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c(C)n1 ZINC000876802296 590243376 /nfs/dbraw/zinc/24/33/76/590243376.db2.gz NTCZJPFNRBVSQC-GXSJLCMTSA-N 1 0 247.302 0.053 20 30 BCEDRO Cc1cocc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876801263 590243394 /nfs/dbraw/zinc/24/33/94/590243394.db2.gz AELPVKAKRINYJP-WCBMZHEXSA-N 1 0 219.244 0.429 20 30 BCEDRO [NH3+][C@@H]1CCC[C@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 ZINC000876799956 590243399 /nfs/dbraw/zinc/24/33/99/590243399.db2.gz NCSLLERGZMMGPV-RWMBFGLXSA-N 1 0 232.327 0.986 20 30 BCEDRO CC(C)n1cnc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000876803934 590244002 /nfs/dbraw/zinc/24/40/02/590244002.db2.gz ZSBBGFXGPKSKSW-UWVGGRQHSA-N 1 0 247.302 0.305 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)C1(C#N)CC2(CC2)C1 ZINC000876803943 590244396 /nfs/dbraw/zinc/24/43/96/590244396.db2.gz ZTQLDBSSPFXJAC-VHSXEESVSA-N 1 0 244.298 0.298 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@H]1NC(=O)C#CC1CC1 ZINC000876813889 590245468 /nfs/dbraw/zinc/24/54/68/590245468.db2.gz YFOFPPIKKVSJCF-MWLCHTKSSA-N 1 0 206.289 0.514 20 30 BCEDRO C=C(C)COCCNC(=[NH2+])N[C@H](C)COC ZINC000126170593 590245765 /nfs/dbraw/zinc/24/57/65/590245765.db2.gz NHAQNNUVVPJORQ-SNVBAGLBSA-N 1 0 229.324 0.518 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)C1(C#N)CC2(CC2)C1 ZINC000876829489 590245862 /nfs/dbraw/zinc/24/58/62/590245862.db2.gz KEQRXWIMXHROHN-QMMMGPOBSA-N 1 0 207.277 0.534 20 30 BCEDRO [NH3+][C@@H]1CCC[C@@H](NC(=O)C#CC2CC2)C1 ZINC000876828705 590246989 /nfs/dbraw/zinc/24/69/89/590246989.db2.gz FUCGQFOQFWELIH-GHMZBOCLSA-N 1 0 206.289 0.786 20 30 BCEDRO C=CCN(C)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000876844074 590248748 /nfs/dbraw/zinc/24/87/48/590248748.db2.gz YUDCRMJSXWXGKC-IUCAKERBSA-N 1 0 200.257 0.578 20 30 BCEDRO CC(C)(C)C#CC(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000876859360 590250542 /nfs/dbraw/zinc/25/05/42/590250542.db2.gz RVHVCKYFLKMPIO-JZYVYDRUSA-N 1 0 206.289 0.370 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000876872111 590251911 /nfs/dbraw/zinc/25/19/11/590251911.db2.gz QZCBQLIBRUZRCQ-MNOVXSKESA-N 1 0 204.273 0.220 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000876871846 590252015 /nfs/dbraw/zinc/25/20/15/590252015.db2.gz YXOOKVQULNDJQQ-NSHDSACASA-N 1 0 238.331 0.531 20 30 BCEDRO [NH3+]C[C@@H]1CC[C@H](NC(=O)C#CC2CC2)C1 ZINC000876871384 590252046 /nfs/dbraw/zinc/25/20/46/590252046.db2.gz VWWYUNCJPHPHIM-MNOVXSKESA-N 1 0 206.289 0.643 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(CC)CC(=O)OC ZINC000876878930 590252190 /nfs/dbraw/zinc/25/21/90/590252190.db2.gz KZSJCEURKXBHPW-QMMMGPOBSA-N 1 0 248.710 0.478 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1CCOC1 ZINC000876885098 590253502 /nfs/dbraw/zinc/25/35/02/590253502.db2.gz VFUHCVMOTGEZSU-HTQZYQBOSA-N 1 0 218.684 0.361 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1nnc(C)n1C ZINC000876905552 590255797 /nfs/dbraw/zinc/25/57/97/590255797.db2.gz ITKJQHPTJCKKEV-SSDOTTSWSA-N 1 0 243.698 0.532 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000876920459 590257353 /nfs/dbraw/zinc/25/73/53/590257353.db2.gz RYNMZIUGGAZYCD-NSHDSACASA-N 1 0 238.331 0.612 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC(C)(C)CC(N)=O ZINC000876941868 590259575 /nfs/dbraw/zinc/25/95/75/590259575.db2.gz MASNDNQXMCWZIN-SSDOTTSWSA-N 1 0 247.726 0.227 20 30 BCEDRO [NH3+]CCC1CCN(C(=O)C#CC2CC2)CC1 ZINC000876950367 590260553 /nfs/dbraw/zinc/26/05/53/590260553.db2.gz LGLSMOMRKHKVRD-UHFFFAOYSA-N 1 0 220.316 0.987 20 30 BCEDRO [NH3+]CC12CC(C1)CN2C(=O)C#CC1CC1 ZINC000876968479 590262454 /nfs/dbraw/zinc/26/24/54/590262454.db2.gz POOIRRUXNFQYPV-UHFFFAOYSA-N 1 0 204.273 0.350 20 30 BCEDRO C=CCOCCNC(=O)[C@H]([NH3+])CC(=C)Cl ZINC000876974402 590263678 /nfs/dbraw/zinc/26/36/78/590263678.db2.gz GKZSULLETPMQRX-SECBINFHSA-N 1 0 232.711 0.775 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CCC)C(N)=O ZINC000876986660 590265295 /nfs/dbraw/zinc/26/52/95/590265295.db2.gz IDFSXAZYJAZGNY-SFYZADRCSA-N 1 0 247.726 0.227 20 30 BCEDRO O=C(C#CC1CC1)N[C@@H]1CC[NH2+]C12CCC2 ZINC000877004493 590267877 /nfs/dbraw/zinc/26/78/77/590267877.db2.gz KLKSIWFEXAMHND-LLVKDONJSA-N 1 0 218.300 0.801 20 30 BCEDRO CCNS(=O)(=O)CC[NH2+]C[C@H](C)CCC#N ZINC000877007745 590268708 /nfs/dbraw/zinc/26/87/08/590268708.db2.gz CXQKYPXIGQEHKZ-SNVBAGLBSA-N 1 0 247.364 0.455 20 30 BCEDRO C#CCSCC[NH2+]C[C@H](OC)[C@@H]1CCOC1 ZINC000877047623 590274490 /nfs/dbraw/zinc/27/44/90/590274490.db2.gz BWYUUORTLAWCNO-NEPJUHHUSA-N 1 0 243.372 0.994 20 30 BCEDRO C=C[C@H](C)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877088005 590280517 /nfs/dbraw/zinc/28/05/17/590280517.db2.gz ZGOSMUMXRWQFTP-VIFPVBQESA-N 1 0 240.328 0.998 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)C1(C#N)CCCC1 ZINC000877104133 590284192 /nfs/dbraw/zinc/28/41/92/590284192.db2.gz CJDPOUHLYHAHEF-SECBINFHSA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCCn1cc(C(=O)N(C)C[C@@H](C)[NH3+])nn1 ZINC000877105413 590284971 /nfs/dbraw/zinc/28/49/71/590284971.db2.gz OVYFFWRJOATSFV-SECBINFHSA-N 1 0 237.307 0.273 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)c1coc(C#N)c1 ZINC000877107453 590285662 /nfs/dbraw/zinc/28/56/62/590285662.db2.gz FZIPPYSMRIAMFZ-ZETCQYMHSA-N 1 0 207.233 0.570 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)C1(C#N)CC2(CC2)C1 ZINC000877107430 590285750 /nfs/dbraw/zinc/28/57/50/590285750.db2.gz FJBFZJZVOKNIPJ-SECBINFHSA-N 1 0 221.304 0.876 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1coc(C#N)c1 ZINC000877112020 590287556 /nfs/dbraw/zinc/28/75/56/590287556.db2.gz RJRCEAQMMRRCDU-OIBJUYFYSA-N 1 0 219.244 0.631 20 30 BCEDRO C=C(Cl)C[C@H](NC(=O)C[NH3+])C(=O)OCC ZINC000877144776 590289965 /nfs/dbraw/zinc/28/99/65/590289965.db2.gz VSGFVJULBXNFDP-ZETCQYMHSA-N 1 0 234.683 0.136 20 30 BCEDRO C=C(Cl)C[C@H](NC(=O)[C@H](C)[NH3+])C(=O)OCC ZINC000877144569 590291699 /nfs/dbraw/zinc/29/16/99/590291699.db2.gz PVQSYLVJRVLXAC-YUMQZZPRSA-N 1 0 248.710 0.524 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000877145868 590292091 /nfs/dbraw/zinc/29/20/91/590292091.db2.gz QPOXMXIPVUSAQN-KXUCPTDWSA-N 1 0 227.283 0.695 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H](F)[C@H]1CC[NH2+]C1 ZINC000877145870 590292336 /nfs/dbraw/zinc/29/23/36/590292336.db2.gz QPOXMXIPVUSAQN-UTLUCORTSA-N 1 0 227.283 0.695 20 30 BCEDRO CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CCC[C@@H]1C#N ZINC000877196796 590299054 /nfs/dbraw/zinc/29/90/54/590299054.db2.gz KIJNDVZZKGAOOP-VWYCJHECSA-N 1 0 238.335 0.026 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@](C)(CC)OC ZINC000877194955 590299510 /nfs/dbraw/zinc/29/95/10/590299510.db2.gz YVTUONHDIVVPEE-LLVKDONJSA-N 1 0 249.376 0.992 20 30 BCEDRO CC[NH2+]CC(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000877197710 590299887 /nfs/dbraw/zinc/29/98/87/590299887.db2.gz WIYVAKTZOQKGKG-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@H]2[NH2+]CC[C@@H]21 ZINC000877280687 590306475 /nfs/dbraw/zinc/30/64/75/590306475.db2.gz ITZHESJDKUEPDU-NEPJUHHUSA-N 1 0 238.331 0.932 20 30 BCEDRO O=C(C#CC1CC1)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000877384381 590321079 /nfs/dbraw/zinc/32/10/79/590321079.db2.gz FTODTIUOYLEQFS-DGCLKSJQSA-N 1 0 218.300 0.801 20 30 BCEDRO C#CCCCCCC[N@@H+]1C[C@@H](O)[C@H](CO)C1 ZINC000877583772 590366731 /nfs/dbraw/zinc/36/67/31/590366731.db2.gz UHWAXBXPGUTPEJ-QWHCGFSZSA-N 1 0 225.332 0.855 20 30 BCEDRO C#Cc1ccc(CN2CC[N@@H+](C)C[C@@H]2CO)cc1 ZINC000877643747 590382577 /nfs/dbraw/zinc/38/25/77/590382577.db2.gz IAWBSHDTZCBDRN-OAHLLOKOSA-N 1 0 244.338 0.776 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@]1(OC)CCOC1 ZINC000877640898 590382987 /nfs/dbraw/zinc/38/29/87/590382987.db2.gz HQNZHNSCVBQZLM-CYBMUJFWSA-N 1 0 241.331 0.764 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+][C@H]1CCCNC(=O)C1 ZINC000877661051 590387228 /nfs/dbraw/zinc/38/72/28/590387228.db2.gz WDZGQWXYUFFVFC-NEPJUHHUSA-N 1 0 238.331 0.673 20 30 BCEDRO C=CC[NH+](CC=C)CCc1nnnn1C ZINC000877959470 590458423 /nfs/dbraw/zinc/45/84/23/590458423.db2.gz XKBVGMFWBZLNDB-UHFFFAOYSA-N 1 0 207.281 0.427 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCN(C(=O)COC)CC1 ZINC000877967197 590461142 /nfs/dbraw/zinc/46/11/42/590461142.db2.gz IORNSKSBPTZZSK-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CC[C@@H](C(=O)OC)N(CC)CC(=O)NC ZINC000877985917 590466064 /nfs/dbraw/zinc/46/60/64/590466064.db2.gz BRCBHCMBJZWBHB-VIFPVBQESA-N 1 0 228.292 0.172 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000878112795 590497205 /nfs/dbraw/zinc/49/72/05/590497205.db2.gz OKYGKZPUEAAWHP-ZYHUDNBSSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH+](CC#C)C[C@H](O)CC1(CO)CCCC1 ZINC000878153920 590507585 /nfs/dbraw/zinc/50/75/85/590507585.db2.gz YXFKCBQBYYLLIO-CQSZACIVSA-N 1 0 249.354 0.859 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CC[C@](C)(O)C1 ZINC000878165726 590512219 /nfs/dbraw/zinc/51/22/19/590512219.db2.gz CVFDVQULDZCARV-ONGXEEELSA-N 1 0 213.277 0.561 20 30 BCEDRO C#CCC[NH+]1CCN(CCc2cncn2C)CC1 ZINC000878313927 590541046 /nfs/dbraw/zinc/54/10/46/590541046.db2.gz NAVXMYJNSVXWDC-UHFFFAOYSA-N 1 0 246.358 0.604 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000878319305 590544412 /nfs/dbraw/zinc/54/44/12/590544412.db2.gz OLGNAOQRPOFLIH-RKDXNWHRSA-N 1 0 223.276 0.187 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000878335341 590549145 /nfs/dbraw/zinc/54/91/45/590549145.db2.gz LIODUKGYKMXAMC-AEJSXWLSSA-N 1 0 213.277 0.417 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H]([C@@H](C)O)C1 ZINC000878391001 590559025 /nfs/dbraw/zinc/55/90/25/590559025.db2.gz GLZXRRHVSKAKMA-GMTAPVOTSA-N 1 0 227.304 0.807 20 30 BCEDRO Cn1nnnc1CC[NH+]1CCC(CC#N)CC1 ZINC000878396629 590559410 /nfs/dbraw/zinc/55/94/10/590559410.db2.gz NYHZTTQBAALELL-UHFFFAOYSA-N 1 0 234.307 0.378 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000878429151 590566262 /nfs/dbraw/zinc/56/62/62/590566262.db2.gz BKIAFIOPPMBDIL-NEPJUHHUSA-N 1 0 210.321 0.967 20 30 BCEDRO C#CC[N@H+](C[C@@H]1CCc2ncnn21)C1CC1 ZINC000878434978 590567028 /nfs/dbraw/zinc/56/70/28/590567028.db2.gz XTBCEGWWMRUXGP-NSHDSACASA-N 1 0 216.288 0.863 20 30 BCEDRO C#C[C@@H]([NH2+]CCN(C#N)CC)[C@@H]1CCCO1 ZINC000878454183 590570324 /nfs/dbraw/zinc/57/03/24/590570324.db2.gz VBVPNBSQMRJKKZ-NEPJUHHUSA-N 1 0 221.304 0.560 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@](O)(CC)C1 ZINC000878465970 590572794 /nfs/dbraw/zinc/57/27/94/590572794.db2.gz IZAPJNVYVILVJW-PWSUYJOCSA-N 1 0 227.304 0.951 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@@H](O)CC1(O)CCCC1 ZINC000878517745 590585734 /nfs/dbraw/zinc/58/57/34/590585734.db2.gz WJMGXKXCJNGDDM-NEPJUHHUSA-N 1 0 225.332 0.996 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000878622050 590597289 /nfs/dbraw/zinc/59/72/89/590597289.db2.gz RGNYWHDEEMJKAK-VHSXEESVSA-N 1 0 240.303 0.301 20 30 BCEDRO N#CCC1(C[N@H+]2CCCN(C=O)CC2)CC1 ZINC000878638777 590598633 /nfs/dbraw/zinc/59/86/33/590598633.db2.gz WGQYBTDLMBODHZ-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO C#CCC[NH+]1CCN([C@H](C)C(=O)OCC)CC1 ZINC000127257866 590602264 /nfs/dbraw/zinc/60/22/64/590602264.db2.gz HNMHKWJQQXKVCS-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCC[NH+]1CCN([C@@H](C)C(=O)OCC)CC1 ZINC000127258091 590602525 /nfs/dbraw/zinc/60/25/25/590602525.db2.gz HNMHKWJQQXKVCS-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)CC(C)(C)O ZINC000878660856 590604588 /nfs/dbraw/zinc/60/45/88/590604588.db2.gz NWRRAKYWDMVATR-ZYHUDNBSSA-N 1 0 213.321 0.900 20 30 BCEDRO C#CCCCCC[N@H+]1CCOC[C@H]1CC(N)=O ZINC000878692934 590610515 /nfs/dbraw/zinc/61/05/15/590610515.db2.gz HINAACAXTZIGBB-GFCCVEGCSA-N 1 0 238.331 0.756 20 30 BCEDRO C#CCC[N@@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000878772053 590620421 /nfs/dbraw/zinc/62/04/21/590620421.db2.gz DBSVAEDMDIFNAH-TXEJJXNPSA-N 1 0 205.305 0.928 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878795618 590624622 /nfs/dbraw/zinc/62/46/22/590624622.db2.gz STHHMLUDQBXJDY-SECBINFHSA-N 1 0 233.271 0.700 20 30 BCEDRO C=CC[C@@H](C)N1CCN(CC[NH+](C)C)C(=O)C1 ZINC000878802569 590625161 /nfs/dbraw/zinc/62/51/61/590625161.db2.gz KCSKOPPOUSRNRV-GFCCVEGCSA-N 1 0 239.363 0.657 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)O)C1 ZINC000878844085 590631409 /nfs/dbraw/zinc/63/14/09/590631409.db2.gz QNGHSLYXYMSYNL-NEPJUHHUSA-N 1 0 225.332 0.854 20 30 BCEDRO C=CC[N@@H+](CCn1cnnn1)[C@@H](C)COC ZINC000878890288 590641707 /nfs/dbraw/zinc/64/17/07/590641707.db2.gz ZNDHYBLWPVXXIQ-JTQLQIEISA-N 1 0 225.296 0.196 20 30 BCEDRO C#CC[N@@H+](CC[C@H]1CCOC1=O)C1CSC1 ZINC000878912984 590649122 /nfs/dbraw/zinc/64/91/22/590649122.db2.gz XCHLPLIOYLKDIY-JTQLQIEISA-N 1 0 239.340 0.990 20 30 BCEDRO C=CC[C@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000878915562 590650429 /nfs/dbraw/zinc/65/04/29/590650429.db2.gz VQLGGQYSTCNSSZ-NSHDSACASA-N 1 0 221.308 0.961 20 30 BCEDRO C#CCOCC[N@@H+]1CCC[C@H](n2ccnn2)CC1 ZINC000878940683 590657145 /nfs/dbraw/zinc/65/71/45/590657145.db2.gz AKAXEBDKOXKKKJ-ZDUSSCGKSA-N 1 0 248.330 0.955 20 30 BCEDRO C=CC[N@@H+](CCn1cnnn1)C(C)(C)C ZINC000878950749 590660544 /nfs/dbraw/zinc/66/05/44/590660544.db2.gz YAJXEMJDFWFNGY-UHFFFAOYSA-N 1 0 209.297 0.960 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CCC2(COC2)C1 ZINC000878991780 590670543 /nfs/dbraw/zinc/67/05/43/590670543.db2.gz MJODNWJOQRJQJZ-SNVBAGLBSA-N 1 0 225.288 0.826 20 30 BCEDRO C#CCC[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879043430 590685593 /nfs/dbraw/zinc/68/55/93/590685593.db2.gz HTTSANNNMDEBFZ-SNVBAGLBSA-N 1 0 212.268 0.545 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCO[C@H](CC(N)=O)C1 ZINC000879062342 590690015 /nfs/dbraw/zinc/69/00/15/590690015.db2.gz SZOXRIPZHCXASU-NXEZZACHSA-N 1 0 212.293 0.527 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879156096 590705327 /nfs/dbraw/zinc/70/53/27/590705327.db2.gz MWIWNOKIQMHNCC-WQAKAFBOSA-N 1 0 236.315 0.936 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](OC)CC[C@@H]1C ZINC000879323985 590744908 /nfs/dbraw/zinc/74/49/08/590744908.db2.gz AEOOBVAVDIFFDD-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000879366199 590753956 /nfs/dbraw/zinc/75/39/56/590753956.db2.gz TVVNLWUWXAWRFY-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879537243 590796054 /nfs/dbraw/zinc/79/60/54/590796054.db2.gz WDMMTJXCSYQPIG-BBBLOLIVSA-N 1 0 222.288 0.498 20 30 BCEDRO CN1C(=O)[C@H]2C[N@@H+]([C@@H]3CC[C@@H](C#N)C3)C[C@H]2C1=O ZINC000879535631 590796737 /nfs/dbraw/zinc/79/67/37/590796737.db2.gz QAHNLYSVNSWPJQ-DBIOUOCHSA-N 1 0 247.298 0.225 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CSC[C@H]2C1 ZINC000879554883 590798888 /nfs/dbraw/zinc/79/88/88/590798888.db2.gz DYSYJVLPDQCKAK-GHMZBOCLSA-N 1 0 238.356 0.421 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879554884 590799534 /nfs/dbraw/zinc/79/95/34/590799534.db2.gz DYSYJVLPDQCKAK-MNOVXSKESA-N 1 0 238.356 0.421 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572376 590811021 /nfs/dbraw/zinc/81/10/21/590811021.db2.gz PODYNTMEKSJGIY-RYUDHWBXSA-N 1 0 237.347 0.315 20 30 BCEDRO C#CCNC(=O)CN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000879598028 590826632 /nfs/dbraw/zinc/82/66/32/590826632.db2.gz BLIMABLMNPEGIH-GFCCVEGCSA-N 1 0 237.347 0.008 20 30 BCEDRO C#CCOCCN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000879601384 590826841 /nfs/dbraw/zinc/82/68/41/590826841.db2.gz OCQIGTZJKXZVFQ-CYBMUJFWSA-N 1 0 224.348 0.908 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879616702 590832135 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/nfs/dbraw/zinc/03/92/38/591039238.db2.gz WRPOUXJMQVILEA-RYUDHWBXSA-N 1 0 227.304 0.372 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC=C[C@H]2CO)C1=O ZINC000880491135 591066655 /nfs/dbraw/zinc/06/66/55/591066655.db2.gz GYZCNZZXWCDVSZ-QWRGUYRKSA-N 1 0 222.288 0.006 20 30 BCEDRO CC#CC[NH+]1CCC2(CC1)COCCO2 ZINC000880542636 591086824 /nfs/dbraw/zinc/08/68/24/591086824.db2.gz JPBXCUUQMGFGOZ-UHFFFAOYSA-N 1 0 209.289 0.891 20 30 BCEDRO C=C(C)CC[N@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880565427 591093719 /nfs/dbraw/zinc/09/37/19/591093719.db2.gz DQGDYQYVJITVOV-LLVKDONJSA-N 1 0 213.277 0.562 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880567307 591095316 /nfs/dbraw/zinc/09/53/16/591095316.db2.gz FYULFASFDNASTQ-MWLCHTKSSA-N 1 0 213.277 0.561 20 30 BCEDRO COCCC1(CNC(=[NH2+])N[C@@H](C)COC)CC1 ZINC000128568752 591125378 /nfs/dbraw/zinc/12/53/78/591125378.db2.gz NHWGYBRBOFHLIK-JTQLQIEISA-N 1 0 243.351 0.742 20 30 BCEDRO [NH2+]=C(NCCCF)NC[C@@H]1CCCO1 ZINC000128726800 591156472 /nfs/dbraw/zinc/15/64/72/591156472.db2.gz SCSCVWRALZAOSV-QMMMGPOBSA-N 1 0 203.261 0.429 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc([C@H](C)[NH3+])nn1 ZINC000881320371 591189238 /nfs/dbraw/zinc/18/92/38/591189238.db2.gz JDCLFZNQLNYKOL-POYBYMJQSA-N 1 0 210.237 0.198 20 30 BCEDRO C[C@@H](C#N)OCCn1cc(CCCC[NH3+])nn1 ZINC000881324507 591191726 /nfs/dbraw/zinc/19/17/26/591191726.db2.gz WDTROJXWZQPGKT-JTQLQIEISA-N 1 0 237.307 0.488 20 30 BCEDRO C#CC1(F)CN(C(=O)[C@@H](CC)[NH+](C)C)C1 ZINC000881942042 591281522 /nfs/dbraw/zinc/28/15/22/591281522.db2.gz NKLPTWWOYCWICO-SECBINFHSA-N 1 0 212.268 0.510 20 30 BCEDRO C#CC1(F)CN(C(=O)[C@H](CC)[NH+](C)C)C1 ZINC000881942043 591281959 /nfs/dbraw/zinc/28/19/59/591281959.db2.gz NKLPTWWOYCWICO-VIFPVBQESA-N 1 0 212.268 0.510 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882492784 591373433 /nfs/dbraw/zinc/37/34/33/591373433.db2.gz WHRZIPNNLAEEJC-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000882492547 591373547 /nfs/dbraw/zinc/37/35/47/591373547.db2.gz AIEZMOAGGKFLLN-KOLCDFICSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC[C@H]1CC[N@H+]1CC ZINC000882494346 591376348 /nfs/dbraw/zinc/37/63/48/591376348.db2.gz PSBJUEOOMPMPMR-UTUOFQBUSA-N 1 0 238.331 0.788 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1coc(C#N)c1 ZINC000882497898 591377282 /nfs/dbraw/zinc/37/72/82/591377282.db2.gz NLSKMDYVSSKTTH-SNVBAGLBSA-N 1 0 233.271 0.975 20 30 BCEDRO Cc1nc(C#N)cc(NCC[N@@H+]2CC[C@@H](O)C2)n1 ZINC000882662687 591407690 /nfs/dbraw/zinc/40/76/90/591407690.db2.gz KOKYMPNFWOPKED-LLVKDONJSA-N 1 0 247.302 0.135 20 30 BCEDRO C#CCOCCC(=O)NCC[N@@H+](CC)C1CC1 ZINC000130115283 591437738 /nfs/dbraw/zinc/43/77/38/591437738.db2.gz UNQRNIDWIQNJED-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCC1(O)CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000882967477 591487417 /nfs/dbraw/zinc/48/74/17/591487417.db2.gz IGDWHJQXDWMDQT-UHFFFAOYSA-N 1 0 246.310 0.929 20 30 BCEDRO CCOC(=O)C[C@H](C)CNC(=[NH2+])N(C)C ZINC000130986917 591539602 /nfs/dbraw/zinc/53/96/02/591539602.db2.gz IMTQRAUQLIYSDR-QMMMGPOBSA-N 1 0 215.297 0.452 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(F)c1N ZINC000883125752 591544883 /nfs/dbraw/zinc/54/48/83/591544883.db2.gz SXRVMVVXEDTAMZ-SNVBAGLBSA-N 1 0 222.263 0.882 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1nccnc1OC ZINC000883131140 591546842 /nfs/dbraw/zinc/54/68/42/591546842.db2.gz JGWZXHDPCKEUBK-UHFFFAOYSA-N 1 0 248.330 0.530 20 30 BCEDRO C#CCN(C)CCC[NH2+]Cc1ccncc1N ZINC000883131111 591546925 /nfs/dbraw/zinc/54/69/25/591546925.db2.gz HFFYLRYIRNOONU-UHFFFAOYSA-N 1 0 232.331 0.709 20 30 BCEDRO C=CCN(C)C(=O)C[C@H]1CSCC[NH2+]1 ZINC000131133393 591558726 /nfs/dbraw/zinc/55/87/26/591558726.db2.gz RILSEQLJIUHEAD-VIFPVBQESA-N 1 0 214.334 0.726 20 30 BCEDRO C#CC1(F)CN(C(=O)N[C@@H](C)CC[NH+](C)C)C1 ZINC000883226256 591578837 /nfs/dbraw/zinc/57/88/37/591578837.db2.gz VBTFUOBMURTEOP-JTQLQIEISA-N 1 0 241.310 0.693 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CN(C)C[C@H]1C ZINC000883390715 591642543 /nfs/dbraw/zinc/64/25/43/591642543.db2.gz RXQCMFXNVUXOIR-IJLUTSLNSA-N 1 0 212.337 0.853 20 30 BCEDRO C#CCOCCC(=O)Nc1ccncc1O ZINC000131597228 591624108 /nfs/dbraw/zinc/62/41/08/591624108.db2.gz KMGMNIKCQKEZIL-UHFFFAOYSA-N 1 0 220.228 0.766 20 30 BCEDRO C#CC1(NCc2cnn(C)n2)CCCC1 ZINC000883361576 591630411 /nfs/dbraw/zinc/63/04/11/591630411.db2.gz GZVKMWSEIFJVDQ-UHFFFAOYSA-N 1 0 204.277 0.851 20 30 BCEDRO CS(=O)(=O)[C@H]1C[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000883375134 591637414 /nfs/dbraw/zinc/63/74/14/591637414.db2.gz DDHFMTUPBRPBMF-VLEAKVRGSA-N 1 0 242.344 0.844 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)CS(=O)(=O)CC ZINC000883390796 591643063 /nfs/dbraw/zinc/64/30/63/591643063.db2.gz UWRQEKZIGGCJRX-GHMZBOCLSA-N 1 0 249.376 0.726 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ccnc(OC)n1 ZINC000883400040 591646154 /nfs/dbraw/zinc/64/61/54/591646154.db2.gz BYRFIADOGGUSHQ-NSHDSACASA-N 1 0 237.303 0.902 20 30 BCEDRO CCN(CC[NH3+])C(=O)Nc1cccc(CC#N)n1 ZINC000883587405 591695729 /nfs/dbraw/zinc/69/57/29/591695729.db2.gz IALAQFDWCGWLAN-UHFFFAOYSA-N 1 0 247.302 0.960 20 30 BCEDRO C#C[C@@H](CC)NC(=O)NC[C@@H]1CC[N@@H+]1CC ZINC000883602052 591699276 /nfs/dbraw/zinc/69/92/76/591699276.db2.gz MDNYILCZTVMCSF-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CC[C@@H]1OC ZINC000889334111 591773740 /nfs/dbraw/zinc/77/37/40/591773740.db2.gz KKKSBBYUBVIUOW-MNOVXSKESA-N 1 0 226.320 0.740 20 30 BCEDRO C#CC[C@H]1CCN(C(=O)NCc2cncn2C)C1 ZINC000889054714 591776479 /nfs/dbraw/zinc/77/64/79/591776479.db2.gz FQFQVPYSAPKNBW-NSHDSACASA-N 1 0 246.314 0.975 20 30 BCEDRO N#C[C@@H]1C[NH2+]CC12CC(C(=O)NC1CCC1)C2 ZINC000884085354 591847072 /nfs/dbraw/zinc/84/70/72/591847072.db2.gz RXMCPYHXZODFMZ-RUETXSTFSA-N 1 0 233.315 0.794 20 30 BCEDRO CCCC(N)=NOC[C@H](O)COC(C)C ZINC000133675088 591847170 /nfs/dbraw/zinc/84/71/70/591847170.db2.gz SXDPQOXDLRQZMW-SECBINFHSA-N 1 0 218.297 0.861 20 30 BCEDRO CC(C)CNC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000134053758 591877954 /nfs/dbraw/zinc/87/79/54/591877954.db2.gz RCXFTAAYMRYQFV-LLVKDONJSA-N 1 0 243.351 0.742 20 30 BCEDRO CN(C)C(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000134043800 591878388 /nfs/dbraw/zinc/87/83/88/591878388.db2.gz FSBGBLFSWAHLEL-SECBINFHSA-N 1 0 215.297 0.058 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C[C@@H]1C[C@H]1C1CC1 ZINC000884250275 591884238 /nfs/dbraw/zinc/88/42/38/591884238.db2.gz ATRCBUFGEDUDLH-USZNOCQGSA-N 1 0 233.315 0.650 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884254537 591885780 /nfs/dbraw/zinc/88/57/80/591885780.db2.gz NMSQYUGQXIVTIO-KCJUWKMLSA-N 1 0 232.287 0.614 20 30 BCEDRO C[C@@]1(C[NH3+])CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000884279935 591892640 /nfs/dbraw/zinc/89/26/40/591892640.db2.gz YHFPFPAINZFIIO-LBPRGKRZSA-N 1 0 232.287 0.697 20 30 BCEDRO CC(C)(C)[C@@H](C[NH3+])NC(=O)c1ccc(C#N)[nH]1 ZINC000884338342 591905421 /nfs/dbraw/zinc/90/54/21/591905421.db2.gz FLKBCMWDQGQSQJ-SNVBAGLBSA-N 1 0 234.303 0.990 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H]([NH3+])CC2CC2)nn1 ZINC000884369162 591918009 /nfs/dbraw/zinc/91/80/09/591918009.db2.gz UUANMDCMJYLDOR-LLVKDONJSA-N 1 0 249.318 0.208 20 30 BCEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)c1ccc(C#N)[nH]1 ZINC000884371874 591919103 /nfs/dbraw/zinc/91/91/03/591919103.db2.gz APCYFHZQEFLPTD-JGVFFNPUSA-N 1 0 220.276 0.742 20 30 BCEDRO N#Cc1ccc(C(=O)NCCC[NH2+]C2CC2)[nH]1 ZINC000884376010 591920208 /nfs/dbraw/zinc/92/02/08/591920208.db2.gz SZGPATXVYDZUCO-UHFFFAOYSA-N 1 0 232.287 0.758 20 30 BCEDRO C#CCNC(=O)c1cccc(OCC[NH2+]C)c1 ZINC000884380968 591921232 /nfs/dbraw/zinc/92/12/32/591921232.db2.gz RDMQNMDWDJOOJB-UHFFFAOYSA-N 1 0 232.283 0.648 20 30 BCEDRO CO[C@@H](C[NH3+])C(=O)NCCc1ccc(C#N)cc1 ZINC000884397373 591924611 /nfs/dbraw/zinc/92/46/11/591924611.db2.gz CRCYXKMUCFXTDZ-LBPRGKRZSA-N 1 0 247.298 0.191 20 30 BCEDRO C=CCCNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884400796 591924613 /nfs/dbraw/zinc/92/46/13/591924613.db2.gz UMLUYLLOBJJZSC-QWKFWESOSA-N 1 0 233.315 0.818 20 30 BCEDRO C=CCCNC(=O)C1CC2(C1)C[NH2+]C[C@@H]2C#N ZINC000884400795 591924672 /nfs/dbraw/zinc/92/46/72/591924672.db2.gz UMLUYLLOBJJZSC-AKJDGMEZSA-N 1 0 233.315 0.818 20 30 BCEDRO N#Cc1ccc(C(=O)NCC2([NH3+])CCCC2)[nH]1 ZINC000884403602 591925263 /nfs/dbraw/zinc/92/52/63/591925263.db2.gz KPKXLWSXYMDUOM-UHFFFAOYSA-N 1 0 232.287 0.888 20 30 BCEDRO C[C@]1(NC(=O)c2ccc(C#N)[nH]2)CC[NH2+]C1 ZINC000884422799 591929884 /nfs/dbraw/zinc/92/98/84/591929884.db2.gz FZCPACGCQBMSNW-NSHDSACASA-N 1 0 218.260 0.368 20 30 BCEDRO C/C=C/CNC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884439334 591934405 /nfs/dbraw/zinc/93/44/05/591934405.db2.gz BSEXYSNGYWAVDP-VTPVEFSSSA-N 1 0 233.315 0.818 20 30 BCEDRO C[N@H+](CCO)CCNc1ccc(C#N)cn1 ZINC000884824138 592022118 /nfs/dbraw/zinc/02/21/18/592022118.db2.gz RZBUSSVKVGGDTA-UHFFFAOYSA-N 1 0 220.276 0.289 20 30 BCEDRO C[N@H+](CCO)CCNc1ncccc1C#N ZINC000884824360 592022287 /nfs/dbraw/zinc/02/22/87/592022287.db2.gz XBGQSBIJBLQIHE-UHFFFAOYSA-N 1 0 220.276 0.289 20 30 BCEDRO Cc1ccc(NCC[N@H+](C)CCO)c(C#N)n1 ZINC000884826097 592023602 /nfs/dbraw/zinc/02/36/02/592023602.db2.gz HFFIWBHDHKNAKD-UHFFFAOYSA-N 1 0 234.303 0.598 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCCC(=O)[C@@H]1C ZINC000885052700 592040561 /nfs/dbraw/zinc/04/05/61/592040561.db2.gz YXISBFPNILEPMF-JTQLQIEISA-N 1 0 224.304 0.684 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@@H+](CCO)C2CC2)CCC1 ZINC000885954211 592114719 /nfs/dbraw/zinc/11/47/19/592114719.db2.gz QPPBFTAMNSIDEX-GFCCVEGCSA-N 1 0 238.331 0.888 20 30 BCEDRO N#CC1(C[C@H](O)C[N@@H+]2CC[C@H](O)C2)CCC1 ZINC000885988621 592122796 /nfs/dbraw/zinc/12/27/96/592122796.db2.gz KNVQNXCHSUSWIC-QWRGUYRKSA-N 1 0 224.304 0.498 20 30 BCEDRO N#CC1(C[C@H](O)C[N@H+]2CC[C@H](CO)C2)CCC1 ZINC000886019177 592132664 /nfs/dbraw/zinc/13/26/64/592132664.db2.gz MZNCKLQSLAWIAM-RYUDHWBXSA-N 1 0 238.331 0.745 20 30 BCEDRO C#C[C@H]([NH2+]C[C@](C)(O)C(F)F)[C@H]1CCCO1 ZINC000886143270 592162458 /nfs/dbraw/zinc/16/24/58/592162458.db2.gz YDHACPPNWIAIFM-NGZCFLSTSA-N 1 0 233.258 0.773 20 30 BCEDRO C[N@H+](CCC(N)=O)C[C@@H](O)CC1(C#N)CCC1 ZINC000886204923 592175725 /nfs/dbraw/zinc/17/57/25/592175725.db2.gz UJUKSQDRUHSGAQ-JTQLQIEISA-N 1 0 239.319 0.238 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cnnn2CC)C1 ZINC000886209760 592176727 /nfs/dbraw/zinc/17/67/27/592176727.db2.gz UODKARIERYJWAZ-GFCCVEGCSA-N 1 0 247.346 0.485 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cnn(C)c2)C1 ZINC000886212902 592177249 /nfs/dbraw/zinc/17/72/49/592177249.db2.gz HRGITGFBTJQOTN-ZDUSSCGKSA-N 1 0 232.331 0.607 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2cncnc2)C1 ZINC000886212599 592177547 /nfs/dbraw/zinc/17/75/47/592177547.db2.gz AVRBPTJFLSDBCJ-CYBMUJFWSA-N 1 0 230.315 0.664 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]CC2(C)COC2)C1 ZINC000886211415 592177587 /nfs/dbraw/zinc/17/75/87/592177587.db2.gz OUCCJGZNOMBWHE-GFCCVEGCSA-N 1 0 222.332 0.710 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cncn2C)C1 ZINC000886212950 592177719 /nfs/dbraw/zinc/17/77/19/592177719.db2.gz IQHJOVCPIJALMP-LBPRGKRZSA-N 1 0 232.331 0.607 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@](C)(O)C(F)F ZINC000886232445 592182018 /nfs/dbraw/zinc/18/20/18/592182018.db2.gz WTTQNVIRWKWTDC-WEDXCCLWSA-N 1 0 221.247 0.936 20 30 BCEDRO Cc1cc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)ccc1C#N ZINC000886245586 592184720 /nfs/dbraw/zinc/18/47/20/592184720.db2.gz ZSTHFBSZERTIBQ-ZSOGYDGISA-N 1 0 246.310 0.841 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@@](C)(O)C(F)F)CC1 ZINC000886317848 592207891 /nfs/dbraw/zinc/20/78/91/592207891.db2.gz CDKQZWFYVBRDMD-LLVKDONJSA-N 1 0 247.285 0.853 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000886329074 592210104 /nfs/dbraw/zinc/21/01/04/592210104.db2.gz XUBWTBHQHKZLTL-MXWKQRLJSA-N 1 0 221.304 0.699 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@@H]3C2)C1=O ZINC000886347059 592213367 /nfs/dbraw/zinc/21/33/67/592213367.db2.gz XMYGZBOCZXJXGQ-OUAUKWLOSA-N 1 0 206.289 0.725 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000886353086 592214888 /nfs/dbraw/zinc/21/48/88/592214888.db2.gz BGCPHYCWRIZZJA-UWVGGRQHSA-N 1 0 237.303 0.176 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H](O)COCC)C1 ZINC000886358666 592215344 /nfs/dbraw/zinc/21/53/44/592215344.db2.gz ZEEPGDUEUAVIAS-VXGBXAGGSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000886357116 592215739 /nfs/dbraw/zinc/21/57/39/592215739.db2.gz BEENPSHLCSNMTP-NSHDSACASA-N 1 0 249.314 0.274 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CC(=O)N(C)CC)C1 ZINC000886356120 592215799 /nfs/dbraw/zinc/21/57/99/592215799.db2.gz UGOSXNXPGIBCKL-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCCNC(C)=O)C1 ZINC000886355926 592216328 /nfs/dbraw/zinc/21/63/28/592216328.db2.gz QDXDUDHDFIHNRO-GFCCVEGCSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@@H]2CCN(C)C2=O)C1 ZINC000886358662 592217076 /nfs/dbraw/zinc/21/70/76/592217076.db2.gz ZDWJOBZOWKAZAS-WDEREUQCSA-N 1 0 206.289 0.562 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)CC(=O)OCC)C1 ZINC000886365127 592219642 /nfs/dbraw/zinc/21/96/42/592219642.db2.gz ALNRNCYBUOAGAL-RYUDHWBXSA-N 1 0 239.315 0.646 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@H](O)CC(C)(C)O)C1 ZINC000886365199 592219677 /nfs/dbraw/zinc/21/96/77/592219677.db2.gz BYAQYYJLYVEMPX-RYUDHWBXSA-N 1 0 225.332 0.854 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000886575499 592266972 /nfs/dbraw/zinc/26/69/72/592266972.db2.gz WGMNIXGDNGKMML-QCNOEVLYSA-N 1 0 211.305 0.626 20 30 BCEDRO C#CCN(C(=O)c1cocn1)C1CC[NH+](C)CC1 ZINC000886582496 592268426 /nfs/dbraw/zinc/26/84/26/592268426.db2.gz XBHHROXBHDHVOY-UHFFFAOYSA-N 1 0 247.298 0.844 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H]1CC[C@@H](C(=O)OC)C1 ZINC000886587598 592268847 /nfs/dbraw/zinc/26/88/47/592268847.db2.gz BKJNQMWSPUGFIR-OUAUKWLOSA-N 1 0 227.304 0.855 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@@]2(CO)CCC[C@@H]12 ZINC000886624183 592278958 /nfs/dbraw/zinc/27/89/58/592278958.db2.gz ZQHQBKYRQZEMTR-DGCLKSJQSA-N 1 0 238.331 0.526 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@H](C)CCO)C1 ZINC000886660682 592293663 /nfs/dbraw/zinc/29/36/63/592293663.db2.gz CTZSVGSSPNMZAW-VXGBXAGGSA-N 1 0 210.321 0.445 20 30 BCEDRO C=CCC1(O)CC[NH+](C[C@@](C)(O)C(C)=O)CC1 ZINC000886778867 592319566 /nfs/dbraw/zinc/31/95/66/592319566.db2.gz YRHJFGYMWDENGO-GFCCVEGCSA-N 1 0 241.331 0.729 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@H]([C@@H]2CCCO2)C1 ZINC000886832156 592355113 /nfs/dbraw/zinc/35/51/13/592355113.db2.gz BSYGRYISZBAQBM-QWRGUYRKSA-N 1 0 237.303 0.127 20 30 BCEDRO CC[NH+](CC)CC(=O)Nc1cnn(CC#N)c1 ZINC000139268178 592390567 /nfs/dbraw/zinc/39/05/67/592390567.db2.gz YMGPATVNRFLPBP-UHFFFAOYSA-N 1 0 235.291 0.687 20 30 BCEDRO C#CCC1([NH2+]C[C@H](O)COCC)CCOCC1 ZINC000887124532 592444970 /nfs/dbraw/zinc/44/49/70/592444970.db2.gz IMESYOPGSJOPTM-LBPRGKRZSA-N 1 0 241.331 0.546 20 30 BCEDRO C#CCC1([NH2+]CC(=O)N(C)OC)CCOCC1 ZINC000887123211 592445890 /nfs/dbraw/zinc/44/58/90/592445890.db2.gz FDVXYKNHTVMLCY-UHFFFAOYSA-N 1 0 240.303 0.168 20 30 BCEDRO C#CCC1([NH2+]CCCC(=O)NC)CCOCC1 ZINC000887122212 592445909 /nfs/dbraw/zinc/44/59/09/592445909.db2.gz OMXZUKJCGQVYEK-UHFFFAOYSA-N 1 0 238.331 0.675 20 30 BCEDRO C#CCC1([NH2+]C[C@H](O)C2CC2)CCOCC1 ZINC000887122315 592445923 /nfs/dbraw/zinc/44/59/23/592445923.db2.gz RZNXMUWQBSYDSC-LBPRGKRZSA-N 1 0 223.316 0.919 20 30 BCEDRO C#CCC1([NH2+]CCn2cncn2)CCOCC1 ZINC000887122318 592446151 /nfs/dbraw/zinc/44/61/51/592446151.db2.gz SBAJUNOPWTXPJF-UHFFFAOYSA-N 1 0 234.303 0.440 20 30 BCEDRO C#CCC1([NH2+]C[C@H]2COCCO2)CCOCC1 ZINC000887121956 592446567 /nfs/dbraw/zinc/44/65/67/592446567.db2.gz DPIRFTQNMAQAIT-LBPRGKRZSA-N 1 0 239.315 0.564 20 30 BCEDRO C#CCC1([NH2+]CC(=O)NC2CC2)CCOCC1 ZINC000887126162 592447952 /nfs/dbraw/zinc/44/79/52/592447952.db2.gz YTZPVOGGZXSTKX-UHFFFAOYSA-N 1 0 236.315 0.427 20 30 BCEDRO C#CCNC(=O)N1CCCC[C@@H]1C[NH2+]C ZINC000887277090 592475527 /nfs/dbraw/zinc/47/55/27/592475527.db2.gz LBZFBNNGEILJJL-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])NCC(F)F ZINC000887356457 592488685 /nfs/dbraw/zinc/48/86/85/592488685.db2.gz DAXIOLXCJGPARB-ZETCQYMHSA-N 1 0 221.251 0.550 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)CCCSC ZINC000301034401 592527362 /nfs/dbraw/zinc/52/73/62/592527362.db2.gz WIRPFFFSGOJXIJ-UHFFFAOYSA-N 1 0 214.334 0.421 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887677515 592540639 /nfs/dbraw/zinc/54/06/39/592540639.db2.gz YPFRKYMDENFRKO-PWSUYJOCSA-N 1 0 237.303 0.222 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H](C(N)=O)CC[C@@H]1C ZINC000302337901 592546885 /nfs/dbraw/zinc/54/68/85/592546885.db2.gz HCBNBEJNKRSXTJ-AXFHLTTASA-N 1 0 239.319 0.501 20 30 BCEDRO C=CCOCC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000887933274 592560904 /nfs/dbraw/zinc/56/09/04/592560904.db2.gz KNUMMYUYEXKGPM-YPMHNXCESA-N 1 0 238.331 0.599 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC12CC[NH+](C)CC2 ZINC000889221760 592590296 /nfs/dbraw/zinc/59/02/96/592590296.db2.gz RBJSIIHVFKCVQQ-GFCCVEGCSA-N 1 0 238.331 0.620 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@H]1c1cc[nH]n1 ZINC000294084212 592725150 /nfs/dbraw/zinc/72/51/50/592725150.db2.gz LKTLJVXEFAVCQR-LBPRGKRZSA-N 1 0 246.314 0.686 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000299893884 634396925 /nfs/dbraw/zinc/39/69/25/634396925.db2.gz PZFOKVAGJNKYQB-WDEREUQCSA-N 1 0 224.304 0.093 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CC[NH2+]C2(C)C)nn1 ZINC000925710846 634409605 /nfs/dbraw/zinc/40/96/05/634409605.db2.gz XZNHEAOXCAOJOE-LLVKDONJSA-N 1 0 235.335 0.694 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)c2ncc[nH]2)C1 ZINC001027404565 634508403 /nfs/dbraw/zinc/50/84/03/634508403.db2.gz CJGFNIVNXUZHLH-NSHDSACASA-N 1 0 246.314 0.579 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CC[C@H](NC(C)=O)C[C@H]2C1 ZINC000979442545 635154897 /nfs/dbraw/zinc/15/48/97/635154897.db2.gz ILAPGFWCDYTGQT-AVGNSLFASA-N 1 0 220.316 0.856 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCC[C@@H]1CO ZINC000909374607 634538963 /nfs/dbraw/zinc/53/89/63/634538963.db2.gz RMEOJSMMDIWJNN-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1COCCC1(OC)OC ZINC000931674980 635199253 /nfs/dbraw/zinc/19/92/53/635199253.db2.gz LMCONIHPNNLUDC-LLVKDONJSA-N 1 0 243.303 0.004 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3CC3(C)C)[C@@H]2C1 ZINC000978020574 634573807 /nfs/dbraw/zinc/57/38/07/634573807.db2.gz LRPZGGUJQWLVKF-FVCCEPFGSA-N 1 0 246.354 0.960 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000971512770 631288634 /nfs/dbraw/zinc/28/86/34/631288634.db2.gz GGTWBGPNGLRQRX-ZDUSSCGKSA-N 1 0 230.311 0.566 20 30 BCEDRO CCC[N@H+](CCO)CCO[C@@H](C)C#N ZINC000308583633 631341333 /nfs/dbraw/zinc/34/13/33/631341333.db2.gz LBZCYGVYNBYJED-JTQLQIEISA-N 1 0 200.282 0.619 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933384946 631344153 /nfs/dbraw/zinc/34/41/53/631344153.db2.gz DQCKIJCRPWMWSK-SMDDNHRTSA-N 1 0 248.326 0.427 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@]12C[C@H]1COC21CCC1 ZINC000933388927 631350841 /nfs/dbraw/zinc/35/08/41/631350841.db2.gz LLINRQLYUNIJJR-HOSYDEDBSA-N 1 0 222.288 0.562 20 30 BCEDRO C=CCSCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891451676 631357175 /nfs/dbraw/zinc/35/71/75/631357175.db2.gz OQTCVLWRGUIGNQ-AOOOYVTPSA-N 1 0 243.376 0.942 20 30 BCEDRO C#CCNC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000891569860 631393251 /nfs/dbraw/zinc/39/32/51/631393251.db2.gz YQICQFJEOITHHQ-PWSUYJOCSA-N 1 0 221.304 0.213 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)CC(C)(C)O ZINC000308553654 631421477 /nfs/dbraw/zinc/42/14/77/631421477.db2.gz RELJPLKXOHNEIJ-VIFPVBQESA-N 1 0 200.282 0.618 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccsn2)C1 ZINC001022261829 631441728 /nfs/dbraw/zinc/44/17/28/631441728.db2.gz KMYQLRVEKNLDPC-DTORHVGOSA-N 1 0 235.312 0.627 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@H]1C[C@@H]1C ZINC000308655271 631468371 /nfs/dbraw/zinc/46/83/71/631468371.db2.gz NSKQCPMPEBEPHQ-UWVGGRQHSA-N 1 0 217.334 0.833 20 30 BCEDRO C#CCOCC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933645969 631474014 /nfs/dbraw/zinc/47/40/14/631474014.db2.gz ZWNURXBGQYUXJS-UHFFFAOYSA-N 1 0 249.310 0.974 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891764802 631479709 /nfs/dbraw/zinc/47/97/09/631479709.db2.gz MAQQKVLIZAOJGX-MGCOHNPYSA-N 1 0 227.308 0.226 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H]1C[C@H]([NH3+])C1)C(C)C ZINC000891904285 631550195 /nfs/dbraw/zinc/55/01/95/631550195.db2.gz JHYFYIKCWQPJLQ-DCAQKATOSA-N 1 0 223.320 0.681 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@H]1C[C@@H]([NH3+])C1)C(C)C ZINC000891904293 631551764 /nfs/dbraw/zinc/55/17/64/631551764.db2.gz JHYFYIKCWQPJLQ-OUAUKWLOSA-N 1 0 223.320 0.681 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@]1(C)CCCO1 ZINC000176165648 631562618 /nfs/dbraw/zinc/56/26/18/631562618.db2.gz BYDXIMZMUWUPRF-SNVBAGLBSA-N 1 0 215.297 0.106 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891938563 631566002 /nfs/dbraw/zinc/56/60/02/631566002.db2.gz SZTIATUNSXBJQI-YTWAJWBKSA-N 1 0 239.319 0.461 20 30 BCEDRO CCNC(NC[C@H](C)C[C@H](C)O)=[NH+]CC ZINC000077965233 635650523 /nfs/dbraw/zinc/65/05/23/635650523.db2.gz LNOVLJHUTDJZES-ZJUUUORDSA-N 1 0 215.341 0.968 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](CNC(=O)C2CC2)C1 ZINC001028365940 635659458 /nfs/dbraw/zinc/65/94/58/635659458.db2.gz SYZMSGZRZWZPCL-NSHDSACASA-N 1 0 220.316 0.858 20 30 BCEDRO CC(C)[C@@](C)(C#N)NC(=O)CN1CC[C@H]1CO ZINC000934029967 631628305 /nfs/dbraw/zinc/62/83/05/631628305.db2.gz JQLZQCIYQOAGGA-CMPLNLGQSA-N 1 0 239.319 0.107 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ccncc2)C1 ZINC001028373850 635664883 /nfs/dbraw/zinc/66/48/83/635664883.db2.gz VBRKWEHRXOWKTI-GFCCVEGCSA-N 1 0 243.310 0.767 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)[C@@H]2CCCO2)C1 ZINC001028386164 635665827 /nfs/dbraw/zinc/66/58/27/635665827.db2.gz LBYNLNFARQVKOO-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2cc(C)n[nH]2)C1 ZINC001028422386 635668431 /nfs/dbraw/zinc/66/84/31/635668431.db2.gz DKDZEYIQFGLZSX-NSHDSACASA-N 1 0 248.330 0.956 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cn[nH]c2)C1 ZINC001028421872 635668795 /nfs/dbraw/zinc/66/87/95/635668795.db2.gz YQKHANYPOPRPHI-JTQLQIEISA-N 1 0 232.287 0.095 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cn[nH]c2)C1 ZINC001028421873 635669509 /nfs/dbraw/zinc/66/95/09/635669509.db2.gz YQKHANYPOPRPHI-SNVBAGLBSA-N 1 0 232.287 0.095 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)c2ccon2)C1 ZINC001028425922 635670776 /nfs/dbraw/zinc/67/07/76/635670776.db2.gz VNYHAUNCUHUPLJ-JTQLQIEISA-N 1 0 235.287 0.912 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2ccnn2C)C1 ZINC001028435080 635671066 /nfs/dbraw/zinc/67/10/66/635671066.db2.gz FKVACFISRUHSLJ-LLVKDONJSA-N 1 0 248.330 0.658 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](CNC(=O)c2ccon2)C1 ZINC001028427299 635671079 /nfs/dbraw/zinc/67/10/79/635671079.db2.gz ASFSEAQXKXAKOK-LLVKDONJSA-N 1 0 247.298 0.750 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](CCCO)C1CC1 ZINC000308787345 631647065 /nfs/dbraw/zinc/64/70/65/631647065.db2.gz GUVGGVVSWIFSGF-JTQLQIEISA-N 1 0 212.293 0.762 20 30 BCEDRO COC[C@@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000308779810 631648181 /nfs/dbraw/zinc/64/81/81/631648181.db2.gz CFHMFZQDECCTQV-GHMZBOCLSA-N 1 0 212.293 0.883 20 30 BCEDRO NC(=[NH2+])NN=C1COCc2ccccc21 ZINC000308780191 631648647 /nfs/dbraw/zinc/64/86/47/631648647.db2.gz NLPNHBBHSCNJSG-UHFFFAOYSA-N 1 0 204.233 0.404 20 30 BCEDRO C[C@@H](C#N)OCC[NH+]1CCC(C)(O)CC1 ZINC000308805293 631667608 /nfs/dbraw/zinc/66/76/08/631667608.db2.gz OKBDKLUELSGYNT-JTQLQIEISA-N 1 0 212.293 0.762 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1CCOC1)[C@@H]1CCCO1 ZINC000308824679 631671079 /nfs/dbraw/zinc/67/10/79/631671079.db2.gz HRNYCLRODWBCKQ-SRVKXCTJSA-N 1 0 209.289 0.793 20 30 BCEDRO CC(C)[N@H+](CCO[C@H](C)C#N)CC(N)=O ZINC000308839777 631678810 /nfs/dbraw/zinc/67/88/10/631678810.db2.gz YDPCWPQZVKACIV-SECBINFHSA-N 1 0 213.281 0.111 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC000971963283 631701097 /nfs/dbraw/zinc/70/10/97/631701097.db2.gz IEEFJUIFLLJLNG-NSHDSACASA-N 1 0 249.289 0.933 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@H]1CC[C@H]1OC ZINC000934129853 631706458 /nfs/dbraw/zinc/70/64/58/631706458.db2.gz WJCMYOZZURKJSZ-VHSXEESVSA-N 1 0 212.293 0.398 20 30 BCEDRO C#C[C@@H](C)[NH2+][C@H](C)C1CCS(=O)(=O)CC1 ZINC000308896502 631721326 /nfs/dbraw/zinc/72/13/26/631721326.db2.gz ZOHBBJPSZPFBFY-NXEZZACHSA-N 1 0 229.345 0.811 20 30 BCEDRO C[C@H]1C[C@@H]([NH3+])CN1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000892196864 631775589 /nfs/dbraw/zinc/77/55/89/631775589.db2.gz QLDYHEPEVOCJAW-UKKRHICBSA-N 1 0 236.319 0.810 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)C1 ZINC000892196965 631776548 /nfs/dbraw/zinc/77/65/48/631776548.db2.gz SUKMQUZDNYIYOH-WHOHXGKFSA-N 1 0 248.330 0.824 20 30 BCEDRO C[C@@H]1C[C@H]([NH3+])CN1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000892196865 631776967 /nfs/dbraw/zinc/77/69/67/631776967.db2.gz QLDYHEPEVOCJAW-VPOLOUISSA-N 1 0 236.319 0.810 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NC[C@H]2C[C@H]([NH3+])C2)C1 ZINC000892197106 631777097 /nfs/dbraw/zinc/77/70/97/631777097.db2.gz WJENMBZUORDEEB-XWLWVQCSSA-N 1 0 236.319 0.715 20 30 BCEDRO C[C@@H](CC#N)NC[C@H](O)C[NH+]1CCCC1 ZINC000309001518 631800944 /nfs/dbraw/zinc/80/09/44/631800944.db2.gz OFMMIMHJAVUCOH-QWRGUYRKSA-N 1 0 211.309 0.335 20 30 BCEDRO CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309041504 631824934 /nfs/dbraw/zinc/82/49/34/631824934.db2.gz LLQPAANOTOOZPS-VHSXEESVSA-N 1 0 230.333 0.703 20 30 BCEDRO C[C@H](CC#N)N(C)C[C@@H](O)C[NH+]1CCCC1 ZINC000309056095 631832714 /nfs/dbraw/zinc/83/27/14/631832714.db2.gz COWXHBCUNLZFFY-VXGBXAGGSA-N 1 0 225.336 0.677 20 30 BCEDRO C#CC1(O)CN(CC[C@H]2CCCC[N@H+]2C)C1 ZINC000934444420 631839033 /nfs/dbraw/zinc/83/90/33/631839033.db2.gz MPKISJKQAUVKAQ-GFCCVEGCSA-N 1 0 222.332 0.541 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCN1C(=O)N[C@@H](C)C1=O ZINC000934460553 631848182 /nfs/dbraw/zinc/84/81/82/631848182.db2.gz QIIVSKVTLSACPF-UWVGGRQHSA-N 1 0 237.303 0.577 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CCN1C(=O)CN(C)C1=O ZINC000934459360 631849954 /nfs/dbraw/zinc/84/99/54/631849954.db2.gz JBCDYEFFGZFKIZ-JTQLQIEISA-N 1 0 237.303 0.531 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCS(=O)(=O)NC ZINC000934461125 631853035 /nfs/dbraw/zinc/85/30/35/631853035.db2.gz VZOCLSBEXRAICR-SECBINFHSA-N 1 0 218.322 0.186 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CC(=O)NCCC(=O)OC ZINC000934470415 631863944 /nfs/dbraw/zinc/86/39/44/631863944.db2.gz DFGTZUXNCWMGMO-SNVBAGLBSA-N 1 0 240.303 0.316 20 30 BCEDRO C[C@@H]1CC[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000309099186 631880973 /nfs/dbraw/zinc/88/09/73/631880973.db2.gz DZDGELSUZRLHDB-BDAKNGLRSA-N 1 0 205.265 0.538 20 30 BCEDRO C=CCC[NH2+]C1(CO)COC(C)(C)OC1 ZINC000309120072 631890064 /nfs/dbraw/zinc/89/00/64/631890064.db2.gz NGTXJGCDBOWVTK-UHFFFAOYSA-N 1 0 215.293 0.666 20 30 BCEDRO COc1ccc(F)cc1C=NNC(N)=[NH2+] ZINC000309119300 631890925 /nfs/dbraw/zinc/89/09/25/631890925.db2.gz MVYCYGLSAFILAI-UHFFFAOYSA-N 1 0 210.212 0.651 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1CCN1CCOC1=O ZINC000934511073 631892889 /nfs/dbraw/zinc/89/28/89/631892889.db2.gz ITLKCCIKXOTODB-LLVKDONJSA-N 1 0 222.288 0.926 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1CCN1C(=O)N[C@H](C)C1=O ZINC000934514717 631894704 /nfs/dbraw/zinc/89/47/04/631894704.db2.gz ANGCCQABCJJYKS-GHMZBOCLSA-N 1 0 249.314 0.414 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CN(C)C[C@@H]1C)[C@@H]1CCCO1 ZINC000309387320 632023735 /nfs/dbraw/zinc/02/37/35/632023735.db2.gz FESKATNAJPXLRY-RVMXOQNASA-N 1 0 222.332 0.707 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC000972423926 632029595 /nfs/dbraw/zinc/02/95/95/632029595.db2.gz KYBDGVQELNOEDB-RYUDHWBXSA-N 1 0 232.327 0.952 20 30 BCEDRO C[NH+](C)C[C@@H](O)CNc1ccncc1C#N ZINC000309429567 632048070 /nfs/dbraw/zinc/04/80/70/632048070.db2.gz FWQHMGPCGGAKON-JTQLQIEISA-N 1 0 220.276 0.288 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C1CCOCC1 ZINC000308886644 632084052 /nfs/dbraw/zinc/08/40/52/632084052.db2.gz WAEMGXKLUVTDLL-UHFFFAOYSA-N 1 0 233.333 0.356 20 30 BCEDRO C[NH+](C)C[C@@H](O)CNc1cccc(C#N)n1 ZINC000309460544 632099268 /nfs/dbraw/zinc/09/92/68/632099268.db2.gz NSVZLJIIFAEOCU-JTQLQIEISA-N 1 0 220.276 0.288 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001023086973 632126401 /nfs/dbraw/zinc/12/64/01/632126401.db2.gz FRNZXDVSJFUQJI-PHIMTYICSA-N 1 0 248.330 0.847 20 30 BCEDRO CCOC(=O)[C@@H]1CCCN(C(=[NH2+])NC)C1 ZINC000072592413 632397371 /nfs/dbraw/zinc/39/73/71/632397371.db2.gz NWVVYKSRICJCOX-MRVPVSSYSA-N 1 0 213.281 0.206 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC001023173474 632406363 /nfs/dbraw/zinc/40/63/63/632406363.db2.gz KTVIMBJXCRJSIX-AOOOYVTPSA-N 1 0 234.303 0.755 20 30 BCEDRO CN1CC[C@H]([NH2+]Cc2nc(C#N)cs2)C1 ZINC000308914263 632422309 /nfs/dbraw/zinc/42/23/09/632422309.db2.gz FKNUEQOWQCPAFO-QMMMGPOBSA-N 1 0 222.317 0.808 20 30 BCEDRO CC1(C)C[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000309503686 632433413 /nfs/dbraw/zinc/43/34/13/632433413.db2.gz MJAZGLPRDXQYGZ-HLTSFMKQSA-N 1 0 207.277 0.260 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](CO)[C@H]1C ZINC000840561971 632463456 /nfs/dbraw/zinc/46/34/56/632463456.db2.gz ZGKSQOXYNNQQDX-NEPJUHHUSA-N 1 0 240.347 0.724 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cccnn2)C1 ZINC000972599325 632513131 /nfs/dbraw/zinc/51/31/31/632513131.db2.gz YDHMWLGILIYMDV-NSHDSACASA-N 1 0 244.298 0.256 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C\C1CC1 ZINC000309623157 632585475 /nfs/dbraw/zinc/58/54/75/632585475.db2.gz IFFSVDMGHSFXOV-QKMQQOOLSA-N 1 0 205.261 0.180 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccs1 ZINC000309637151 632597308 /nfs/dbraw/zinc/59/73/08/632597308.db2.gz NBKQHFXSRVLOAC-JGVFFNPUSA-N 1 0 221.285 0.589 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@H](C#N)C1 ZINC000260114889 632603196 /nfs/dbraw/zinc/60/31/96/632603196.db2.gz RELMONZZIOFXGU-GHMZBOCLSA-N 1 0 221.304 0.843 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2nocc2C)C1 ZINC000972685185 632606245 /nfs/dbraw/zinc/60/62/45/632606245.db2.gz SMORTVJMIQAHOE-NSHDSACASA-N 1 0 247.298 0.763 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccsc1 ZINC000309653320 632618633 /nfs/dbraw/zinc/61/86/33/632618633.db2.gz UNYDRDALVUIFMK-DTWKUNHWSA-N 1 0 221.285 0.589 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]C[C@@H]1CCCOC1 ZINC000309665630 632636304 /nfs/dbraw/zinc/63/63/04/632636304.db2.gz HPJCTMOTRAKNJT-NSHDSACASA-N 1 0 247.360 0.603 20 30 BCEDRO COC(=O)[C@H](C)C[N@H+](C)CCO[C@@H](C)C#N ZINC000309130136 632641490 /nfs/dbraw/zinc/64/14/90/632641490.db2.gz DQEAWXKSYLCSRT-ZJUUUORDSA-N 1 0 228.292 0.656 20 30 BCEDRO C#CCNC(=O)CN(C)[C@H](C)c1ccncc1 ZINC000091989714 632772957 /nfs/dbraw/zinc/77/29/57/632772957.db2.gz ZNFVJFRNXHPKRO-LLVKDONJSA-N 1 0 231.299 0.824 20 30 BCEDRO C[C@H]1OCC[C@@]1(C)[NH2+]CC(=O)NCCC#N ZINC000235594640 632794733 /nfs/dbraw/zinc/79/47/33/632794733.db2.gz VGAHEVKBKYMTJY-MWLCHTKSSA-N 1 0 225.292 0.173 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2ccn(C)n2)C1 ZINC001028982345 635861281 /nfs/dbraw/zinc/86/12/81/635861281.db2.gz ITYSUJWCZTWPHF-LLVKDONJSA-N 1 0 248.330 0.658 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001028829662 635827407 /nfs/dbraw/zinc/82/74/07/635827407.db2.gz UXKWYWYHLAPPQE-RYUDHWBXSA-N 1 0 232.327 0.858 20 30 BCEDRO CC[C@H]1COC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000925002731 635839304 /nfs/dbraw/zinc/83/93/04/635839304.db2.gz MNCDTMOIQFGRFL-WCQYABFASA-N 1 0 237.347 0.989 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cccnn2)C1 ZINC001028887115 635844476 /nfs/dbraw/zinc/84/44/76/635844476.db2.gz ALMCKWYZCWREAT-LLVKDONJSA-N 1 0 244.298 0.162 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892548927 632957215 /nfs/dbraw/zinc/95/72/15/632957215.db2.gz LDEYTJAZFIAWCH-OUAUKWLOSA-N 1 0 241.335 0.350 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892588598 632992699 /nfs/dbraw/zinc/99/26/99/632992699.db2.gz FXMFZYWLJKESRB-WISYIIOYSA-N 1 0 235.331 0.838 20 30 BCEDRO C#CCN(C)C(=O)NC[C@H]1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000892588743 632993012 /nfs/dbraw/zinc/99/30/12/632993012.db2.gz GBAOFIAHUQFMNA-ZSBIGDGJSA-N 1 0 235.331 0.792 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001029022409 635872221 /nfs/dbraw/zinc/87/22/21/635872221.db2.gz FYONYKWYEFIHMM-LLVKDONJSA-N 1 0 248.330 0.956 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CC(F)(F)C2)C1 ZINC001018695691 633123534 /nfs/dbraw/zinc/12/35/34/633123534.db2.gz YNYZMBUVRAWROO-JTQLQIEISA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2coc(OC)n2)C1 ZINC001019196747 633163936 /nfs/dbraw/zinc/16/39/36/633163936.db2.gz ADHGZGWTEHSEMS-VIFPVBQESA-N 1 0 249.270 0.121 20 30 BCEDRO CC(C)COCCCNC(=[NH2+])N(C)C ZINC000170908739 633176583 /nfs/dbraw/zinc/17/65/83/633176583.db2.gz URLULQOKQHXJDI-UHFFFAOYSA-N 1 0 201.314 0.925 20 30 BCEDRO CNC(NCCCOC1CCOCC1)=[NH+]C ZINC000304349488 635941996 /nfs/dbraw/zinc/94/19/96/635941996.db2.gz VGYPAGOEXPRIMQ-UHFFFAOYSA-N 1 0 229.324 0.367 20 30 BCEDRO C[C@@H](CNC(=[NH2+])N(C)C)Cn1cccn1 ZINC000170906979 633177282 /nfs/dbraw/zinc/17/72/82/633177282.db2.gz JIDUCPRSBVWCPW-VIFPVBQESA-N 1 0 209.297 0.396 20 30 BCEDRO CC(C)SCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000309507677 633181802 /nfs/dbraw/zinc/18/18/02/633181802.db2.gz NWQFYVSNGPLBSN-BDAKNGLRSA-N 1 0 227.333 0.356 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001019409984 633200713 /nfs/dbraw/zinc/20/07/13/633200713.db2.gz AREJTBBOELBOHH-GRYCIOLGSA-N 1 0 238.331 0.930 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](COC)C1CC1 ZINC000327999773 633213062 /nfs/dbraw/zinc/21/30/62/633213062.db2.gz NOLZTRNSXBQRME-CYBMUJFWSA-N 1 0 224.348 0.956 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccoc1 ZINC000309635630 633214721 /nfs/dbraw/zinc/21/47/21/633214721.db2.gz MIWVGDKKILRSHD-RKDXNWHRSA-N 1 0 205.217 0.121 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C1CCN(C=O)CC1 ZINC000894769102 635924266 /nfs/dbraw/zinc/92/42/66/635924266.db2.gz KJQFHHXPTBSZFT-LBPRGKRZSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000309671278 633221156 /nfs/dbraw/zinc/22/11/56/633221156.db2.gz JXEMNGOUJPUIMC-QWRGUYRKSA-N 1 0 242.344 0.869 20 30 BCEDRO C#CCN(C)C(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000926847783 633229442 /nfs/dbraw/zinc/22/94/42/633229442.db2.gz VKQVWNAPPVVVKF-NSHDSACASA-N 1 0 241.335 0.228 20 30 BCEDRO C#CCCCNC(=[NH2+])NC[C@H]1CCCO1 ZINC000172839412 633232641 /nfs/dbraw/zinc/23/26/41/633232641.db2.gz TUUNMZGPAQJYAA-SNVBAGLBSA-N 1 0 209.293 0.483 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)CCCC#N)CC[N@@H+]1C ZINC000928438434 635933989 /nfs/dbraw/zinc/93/39/89/635933989.db2.gz ZXKRQVPTIRCSRI-UWVGGRQHSA-N 1 0 209.293 0.889 20 30 BCEDRO C=C(C)COCCNC(=[NH2+])N1CCOCC1 ZINC000305078644 635948844 /nfs/dbraw/zinc/94/88/44/635948844.db2.gz RITZJLPFZLZABD-UHFFFAOYSA-N 1 0 227.308 0.226 20 30 BCEDRO CON(C)C(=O)C[NH2+]C[C@H](C)CCC#N ZINC000895042741 636019425 /nfs/dbraw/zinc/01/94/25/636019425.db2.gz KSUKYLQLEPFLGH-SECBINFHSA-N 1 0 213.281 0.536 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)C1Cc2ccccc2C1 ZINC000049000740 636002631 /nfs/dbraw/zinc/00/26/31/636002631.db2.gz IUYPFLXATBMSEV-UHFFFAOYSA-N 1 0 242.322 0.835 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)CCCCC#N ZINC000928552148 636084464 /nfs/dbraw/zinc/08/44/64/636084464.db2.gz HXBOGSOYIITFNK-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO C[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CO1 ZINC000895156608 636097354 /nfs/dbraw/zinc/09/73/54/636097354.db2.gz DYZNKAARVPXSCI-HLTSFMKQSA-N 1 0 214.265 0.134 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)CO1 ZINC000895156611 636097493 /nfs/dbraw/zinc/09/74/93/636097493.db2.gz DYZNKAARVPXSCI-VGMNWLOBSA-N 1 0 214.265 0.134 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@H]1CC[N@H+]1C ZINC000928557965 636098516 /nfs/dbraw/zinc/09/85/16/636098516.db2.gz VSURWDPRSGTVOT-MWLCHTKSSA-N 1 0 212.293 0.134 20 30 BCEDRO CC1(C)C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)CCO1 ZINC000895157861 636100402 /nfs/dbraw/zinc/10/04/02/636100402.db2.gz TUSQNDUNZQCTAW-NXEZZACHSA-N 1 0 242.319 0.914 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CCCN(O)C1=O)[C@H]1CCCCO1 ZINC000895158164 636100732 /nfs/dbraw/zinc/10/07/32/636100732.db2.gz XODNPFUEKRVTFB-HBNTYKKESA-N 1 0 242.319 0.914 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@@H]([NH3+])CCOC ZINC000122412547 633748588 /nfs/dbraw/zinc/74/85/88/633748588.db2.gz HNORJEGUJNDVBP-BDAKNGLRSA-N 1 0 200.282 0.431 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)c2cnnn2C)C1 ZINC000926869761 633748716 /nfs/dbraw/zinc/74/87/16/633748716.db2.gz YJEQKFWXXKNAJL-RYUDHWBXSA-N 1 0 247.346 0.563 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(C#N)o1 ZINC000328319960 633755054 /nfs/dbraw/zinc/75/50/54/633755054.db2.gz YTOXPFOEZQOUKN-UHFFFAOYSA-N 1 0 245.282 0.836 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC(OC)C1 ZINC001025816539 633778108 /nfs/dbraw/zinc/77/81/08/633778108.db2.gz XQSWWAQBOVAJRK-NGEZQELSSA-N 1 0 248.326 0.091 20 30 BCEDRO CN(C)CC(C)(C)[NH2+]CCOCCC#N ZINC000308631825 633780973 /nfs/dbraw/zinc/78/09/73/633780973.db2.gz NMYJJTCNKKDDGE-UHFFFAOYSA-N 1 0 213.325 0.846 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2[nH]cnc2C)C1 ZINC001019890841 633793254 /nfs/dbraw/zinc/79/32/54/633793254.db2.gz ZGGZEPZRCQZBIB-JTQLQIEISA-N 1 0 234.303 0.708 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CCCO2)C1 ZINC001019974565 633800433 /nfs/dbraw/zinc/80/04/33/633800433.db2.gz XOMWOLLPIOIBKT-GMTAPVOTSA-N 1 0 224.304 0.588 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2=CCCC2)C1 ZINC001020066537 633808797 /nfs/dbraw/zinc/80/87/97/633808797.db2.gz LXQDPQXOODNBFG-HAQNSBGRSA-N 1 0 218.300 0.967 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H](C)CO1 ZINC001025906415 633818023 /nfs/dbraw/zinc/81/80/23/633818023.db2.gz NGOUGVGQAKGQTI-IEECTRCBSA-N 1 0 248.326 0.091 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000309106780 633849675 /nfs/dbraw/zinc/84/96/75/633849675.db2.gz IGCNBNVJTOTKJP-IUCAKERBSA-N 1 0 208.265 0.989 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C(C)C ZINC001026128814 633853202 /nfs/dbraw/zinc/85/32/02/633853202.db2.gz XFHOMNVSGJYRPI-QSLWVIQJSA-N 1 0 246.354 0.958 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(=O)COC)C[C@H]21 ZINC001026160059 633859606 /nfs/dbraw/zinc/85/96/06/633859606.db2.gz UUYAWVQHUNIPHV-QJPTWQEYSA-N 1 0 236.315 0.093 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@@H]2CN(C(C)=O)C[C@H]12 ZINC001026155558 633860539 /nfs/dbraw/zinc/86/05/39/633860539.db2.gz GYJWJSBLWDVKLY-GRYCIOLGSA-N 1 0 206.289 0.466 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H]1C[C@@H]2COC[C@@H]2O1 ZINC000930589787 633914514 /nfs/dbraw/zinc/91/45/14/633914514.db2.gz NWGBRJMNCLRFQU-WOPDTQHZSA-N 1 0 209.289 0.745 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCCn1ccnn1 ZINC000181492973 633918777 /nfs/dbraw/zinc/91/87/77/633918777.db2.gz YEXFGECOCIKJKN-UHFFFAOYSA-N 1 0 224.312 0.325 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(C#N)cn1 ZINC000309543227 633949386 /nfs/dbraw/zinc/94/93/86/633949386.db2.gz GGMXKUTZKYZNFR-MRVPVSSYSA-N 1 0 218.260 0.307 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000309748468 634000439 /nfs/dbraw/zinc/00/04/39/634000439.db2.gz YPXNSMVDAMCNON-MXWKQRLJSA-N 1 0 226.320 0.738 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H](C)Cc1ccnc(OC)c1 ZINC000895490363 636151138 /nfs/dbraw/zinc/15/11/38/636151138.db2.gz NUEGAFHLNQHCPD-WCQYABFASA-N 1 0 248.326 0.995 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(C#N)n1 ZINC000895490142 636151292 /nfs/dbraw/zinc/15/12/92/636151292.db2.gz MXXAMDWZYAKJKX-GFCCVEGCSA-N 1 0 215.256 0.427 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@@H](C)Cc1cnccn1 ZINC000895490499 636151709 /nfs/dbraw/zinc/15/17/09/636151709.db2.gz QFUHBPZZBQCGPC-QWRGUYRKSA-N 1 0 219.288 0.381 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](OC)C1CCOCC1 ZINC000895489550 636151720 /nfs/dbraw/zinc/15/17/20/636151720.db2.gz FWCWEBJXMLXXDL-OLZOCXBDSA-N 1 0 241.331 0.402 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2CCCC[C@@H]2C1 ZINC000309890024 634038104 /nfs/dbraw/zinc/03/81/04/634038104.db2.gz DGULKLBPQITBKZ-TXEJJXNPSA-N 1 0 220.316 0.858 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)COCC)[C@H]1CCCO1 ZINC000309913903 634041883 /nfs/dbraw/zinc/04/18/83/634041883.db2.gz OGOLPXVWJURBAB-SDDRHHMPSA-N 1 0 227.304 0.154 20 30 BCEDRO Cc1noc(NC(=O)NCC#CC[NH+](C)C)n1 ZINC000930755002 634089766 /nfs/dbraw/zinc/08/97/66/634089766.db2.gz UJXOCCPNEWROGQ-UHFFFAOYSA-N 1 0 237.263 0.065 20 30 BCEDRO C=CCSCCN[C@@H]1C[NH2+]CCOC1 ZINC000925591524 634105963 /nfs/dbraw/zinc/10/59/63/634105963.db2.gz QRJSVHKAUCSWJS-SNVBAGLBSA-N 1 0 216.350 0.484 20 30 BCEDRO C#CC1CC[NH+]([C@@H]2CCN(OC)C2=O)CC1 ZINC000930820357 634118366 /nfs/dbraw/zinc/11/83/66/634118366.db2.gz AAGTYVFXDSBUOC-LLVKDONJSA-N 1 0 222.288 0.494 20 30 BCEDRO N#Cc1ccc(CN[C@H]2C[NH2+]CCOC2)c(F)c1 ZINC000925609196 634146523 /nfs/dbraw/zinc/14/65/23/634146523.db2.gz QDOLEOWPTLPIKM-LBPRGKRZSA-N 1 0 249.289 0.775 20 30 BCEDRO C#CC[NH2+]C1CCC(NC(=O)c2ccn[nH]2)CC1 ZINC001026457651 634184740 /nfs/dbraw/zinc/18/47/40/634184740.db2.gz BUQZARULIRHDDK-UHFFFAOYSA-N 1 0 246.314 0.674 20 30 BCEDRO CC(C)[NH2+]C[C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001026729154 634308580 /nfs/dbraw/zinc/30/85/80/634308580.db2.gz WRCBZSJXUXULQO-GHMZBOCLSA-N 1 0 223.320 0.993 20 30 BCEDRO CC[NH2+]C[C@@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001026735505 634312050 /nfs/dbraw/zinc/31/20/50/634312050.db2.gz PPLOPQQNBVUVGU-UWVGGRQHSA-N 1 0 209.293 0.604 20 30 BCEDRO CC[NH2+]C[C@H]1CCN(C(=O)c2cc(C#N)c[nH]2)C1 ZINC001026758906 634330144 /nfs/dbraw/zinc/33/01/44/634330144.db2.gz VUNNFBJLOCVVOK-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NC[C@H](C)COC ZINC000194691100 634331140 /nfs/dbraw/zinc/33/11/40/634331140.db2.gz YQVQFPRJHFDHFU-IUCAKERBSA-N 1 0 201.314 0.972 20 30 BCEDRO CC[NH2+]C[C@H]1CCN(C(=O)c2c[nH]c(C#N)c2)C1 ZINC001026794220 634358699 /nfs/dbraw/zinc/35/86/99/634358699.db2.gz GPGYFVJMEJFRAQ-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO [NH2+]=C(NCCCCO)NCCc1ccccc1 ZINC000195303422 634358764 /nfs/dbraw/zinc/35/87/64/634358764.db2.gz KPQLSXUZQIKMDU-UHFFFAOYSA-N 1 0 235.331 0.906 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(C(=O)OC)cc1 ZINC000195522109 634364800 /nfs/dbraw/zinc/36/48/00/634364800.db2.gz VBJKADMXRTUUCH-UHFFFAOYSA-N 1 0 221.260 0.507 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)c1cnn(C)n1 ZINC000925698700 634365346 /nfs/dbraw/zinc/36/53/46/634365346.db2.gz TXFMTFFIGTXZCG-ZJUUUORDSA-N 1 0 224.308 0.650 20 30 BCEDRO C[C@@H]([NH2+]Cc1nc(C#N)cs1)[C@H](C)O ZINC000336670166 635199708 /nfs/dbraw/zinc/19/97/08/635199708.db2.gz YKHAKWCRCVFTDT-RQJHMYQMSA-N 1 0 211.290 0.874 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccn[nH]1 ZINC001027764775 635138997 /nfs/dbraw/zinc/13/89/97/635138997.db2.gz IWOQUAZRPOILET-SNVBAGLBSA-N 1 0 232.287 0.237 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001027764774 635139906 /nfs/dbraw/zinc/13/99/06/635139906.db2.gz IWOQUAZRPOILET-JTQLQIEISA-N 1 0 232.287 0.237 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001027765143 635140152 /nfs/dbraw/zinc/14/01/52/635140152.db2.gz LNZRVTDDEKZYFR-LBPRGKRZSA-N 1 0 246.314 0.627 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001027770619 635142381 /nfs/dbraw/zinc/14/23/81/635142381.db2.gz XSOVPPLCSMOFID-LLVKDONJSA-N 1 0 232.287 0.237 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccnn1C ZINC001027781636 635149274 /nfs/dbraw/zinc/14/92/74/635149274.db2.gz BLYPHKWFDHZMEI-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1CCOC1 ZINC001027781227 635149292 /nfs/dbraw/zinc/14/92/92/635149292.db2.gz GNNDJQNIGOLDRF-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO Cc1nc(C#N)cc(NCC[NH+](C)C)n1 ZINC000258904224 635223295 /nfs/dbraw/zinc/22/32/95/635223295.db2.gz GUITZUPRYFYONH-UHFFFAOYSA-N 1 0 205.265 0.630 20 30 BCEDRO CC#CCN1CCCN(C(=O)c2cc[nH]n2)CC1 ZINC000980746579 635267687 /nfs/dbraw/zinc/26/76/87/635267687.db2.gz PTXAGZDGSPJDCB-UHFFFAOYSA-N 1 0 246.314 0.581 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cncn1C ZINC001028004900 635300307 /nfs/dbraw/zinc/30/03/07/635300307.db2.gz WQFWEYYLBCAMAX-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H](c2ncccn2)C1 ZINC000931747536 635302432 /nfs/dbraw/zinc/30/24/32/635302432.db2.gz ADVYYXZDAPLIRE-NWDGAFQWSA-N 1 0 246.314 0.931 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H]1CNC(=O)c1cnco1 ZINC001028057295 635340255 /nfs/dbraw/zinc/34/02/55/635340255.db2.gz GKXPIRCTNJZPDF-LLVKDONJSA-N 1 0 247.298 0.892 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001028084950 635357524 /nfs/dbraw/zinc/35/75/24/635357524.db2.gz AWEGOUNQRSUZHM-WUHRBBMRSA-N 1 0 248.326 0.093 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@@H](NC(=O)c2cnon2)C1 ZINC000981399805 635360410 /nfs/dbraw/zinc/36/04/10/635360410.db2.gz VOSXXTKNXALWJQ-NXEZZACHSA-N 1 0 248.286 0.333 20 30 BCEDRO C#CC[N@H+]1CCCC2(CN(C(=O)CC)C2)C1 ZINC000981566224 635371747 /nfs/dbraw/zinc/37/17/47/635371747.db2.gz VDMPKQGNSLHGMI-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001028209068 635477132 /nfs/dbraw/zinc/47/71/32/635477132.db2.gz FSSUPFFKVGWWKQ-VIFPVBQESA-N 1 0 235.291 0.185 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2ccc[nH]2)C1 ZINC001028403048 635667019 /nfs/dbraw/zinc/66/70/19/635667019.db2.gz DPXZVOYBESVJFC-LLVKDONJSA-N 1 0 231.299 0.700 20 30 BCEDRO CC/[NH+]=C(/N(C)C)N1CC[C@@H](COC)C1 ZINC000429097084 636059618 /nfs/dbraw/zinc/05/96/18/636059618.db2.gz BJQHOGLXEHUVJZ-ZOAHYWAASA-N 1 0 213.325 0.892 20 30 BCEDRO C#CCSCC(=O)NCC[N@@H+](C)C1CC1 ZINC000895872298 636180181 /nfs/dbraw/zinc/18/01/81/636180181.db2.gz FWDYOYOPUVFCJL-UHFFFAOYSA-N 1 0 226.345 0.563 20 30 BCEDRO C[C@H]1C[C@H](NC(=O)NCCC#N)CC[N@@H+]1C ZINC000336468132 636252162 /nfs/dbraw/zinc/25/21/62/636252162.db2.gz JYSGKDVONKUHFL-VHSXEESVSA-N 1 0 224.308 0.682 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC1CC[NH+](CC#C)CC1 ZINC000928650330 636260101 /nfs/dbraw/zinc/26/01/01/636260101.db2.gz AFJFHLYTWDFBDO-LBPRGKRZSA-N 1 0 248.326 0.239 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC000928650938 636263031 /nfs/dbraw/zinc/26/30/31/636263031.db2.gz ISQUATPJMJSJPD-UHFFFAOYSA-N 1 0 232.287 0.237 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2cnco2)CC1 ZINC000928654408 636269971 /nfs/dbraw/zinc/26/99/71/636269971.db2.gz AEWHAGCZSZPUMV-UHFFFAOYSA-N 1 0 233.271 0.502 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1ncnn1CC ZINC000262485488 636280946 /nfs/dbraw/zinc/28/09/46/636280946.db2.gz SKRSRQFRYUMMLO-UHFFFAOYSA-N 1 0 222.296 0.278 20 30 BCEDRO C=CCONC(=O)NC[C@H]([NH3+])C(C)C ZINC000841913993 636289124 /nfs/dbraw/zinc/28/91/24/636289124.db2.gz XHIDLECLOMLLEN-QMMMGPOBSA-N 1 0 201.270 0.387 20 30 BCEDRO C#CCCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000179065955 636302228 /nfs/dbraw/zinc/30/22/28/636302228.db2.gz WCWNNTUNMJRISD-LBPRGKRZSA-N 1 0 241.335 0.012 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCC(=O)NC(C)C ZINC000303252566 636303323 /nfs/dbraw/zinc/30/33/23/636303323.db2.gz BPKAWLQXSITVIO-VIFPVBQESA-N 1 0 228.340 0.604 20 30 BCEDRO CCCNC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000305125725 636325267 /nfs/dbraw/zinc/32/52/67/636325267.db2.gz IIOCCBXOWSVUQP-UHFFFAOYSA-N 1 0 240.267 0.106 20 30 BCEDRO Cn1cnc(CNC(=[NH2+])N2CCCCC2)n1 ZINC000305734225 636331433 /nfs/dbraw/zinc/33/14/33/636331433.db2.gz PZHBJLIBQUZEOU-UHFFFAOYSA-N 1 0 222.296 0.116 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC[C@@H]1CCCCO1 ZINC000305824867 636332563 /nfs/dbraw/zinc/33/25/63/636332563.db2.gz CERURUATSFLBDA-QWRGUYRKSA-N 1 0 243.351 0.885 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCC)[C@@H]1C ZINC000985853960 636432097 /nfs/dbraw/zinc/43/20/97/636432097.db2.gz CQOMYMYWEAKDHO-MNOVXSKESA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cccn2C)[C@@H]1C ZINC000986001791 636465966 /nfs/dbraw/zinc/46/59/66/636465966.db2.gz LEGPPULMPIPFDI-NEPJUHHUSA-N 1 0 245.326 0.851 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)[C@@H]1C ZINC000986021221 636470869 /nfs/dbraw/zinc/47/08/69/636470869.db2.gz KZIKIXFRRCJMDZ-ZJUUUORDSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cocn2)[C@H]1C ZINC000986047310 636478084 /nfs/dbraw/zinc/47/80/84/636478084.db2.gz QOGPMTHFAQPTIG-UWVGGRQHSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2=COCCC2)[C@H]1C ZINC000986054326 636481202 /nfs/dbraw/zinc/48/12/02/636481202.db2.gz ZKEJIAXXUWZRGF-WCQYABFASA-N 1 0 248.326 0.893 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccnn2C)[C@@H]1C ZINC000986062476 636484610 /nfs/dbraw/zinc/48/46/10/636484610.db2.gz HXVIEIOGAOELSH-MNOVXSKESA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@@H]1C ZINC000986087256 636495575 /nfs/dbraw/zinc/49/55/75/636495575.db2.gz XIGZNQCHRQLXEN-ZYHUDNBSSA-N 1 0 246.314 0.164 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CC(N)=O)[C@H]1C ZINC000986088380 636497066 /nfs/dbraw/zinc/49/70/66/636497066.db2.gz BLHIJESBHSKKFY-UWVGGRQHSA-N 1 0 239.319 0.017 20 30 BCEDRO CC[NH+]=C(NCC1CC1)NC[C@H]1COCCO1 ZINC000262753553 636540923 /nfs/dbraw/zinc/54/09/23/636540923.db2.gz JQUMGHMSNMAFIH-NSHDSACASA-N 1 0 241.335 0.367 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnnn2C)[C@H]1C ZINC000986244810 636548735 /nfs/dbraw/zinc/54/87/35/636548735.db2.gz OHFDGLGWTNJBBR-UWVGGRQHSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnnn2C)[C@@H]1C ZINC000986244809 636548813 /nfs/dbraw/zinc/54/88/13/636548813.db2.gz OHFDGLGWTNJBBR-NXEZZACHSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1C ZINC000986258836 636549355 /nfs/dbraw/zinc/54/93/55/636549355.db2.gz QIEIQHVAIDXRQK-NXEZZACHSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)[C@@H]1C ZINC000986256796 636550414 /nfs/dbraw/zinc/55/04/14/636550414.db2.gz JNDBOKPDYQFCST-NXEZZACHSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C#CC2CC2)[C@@H]1C ZINC000986280965 636551320 /nfs/dbraw/zinc/55/13/20/636551320.db2.gz QYYGIZJKUHSGSP-YPMHNXCESA-N 1 0 230.311 0.612 20 30 BCEDRO C[C@H]1[C@H]([NH2+]CCF)CCN1C(=O)C#CC1CC1 ZINC000986288983 636551545 /nfs/dbraw/zinc/55/15/45/636551545.db2.gz WOTJSBJEXXUNSE-CMPLNLGQSA-N 1 0 238.306 0.948 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)[C@H]1C ZINC000986280961 636551914 /nfs/dbraw/zinc/55/19/14/636551914.db2.gz QYYGIZJKUHSGSP-WCQYABFASA-N 1 0 230.311 0.612 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)[C@H]1C ZINC000986330411 636554107 /nfs/dbraw/zinc/55/41/07/636554107.db2.gz CUALYQBUYDITOQ-WDEREUQCSA-N 1 0 249.318 0.043 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]c2)[C@@H]1C ZINC000986298825 636554397 /nfs/dbraw/zinc/55/43/97/636554397.db2.gz DDWYYUFHNKZKKW-PWSUYJOCSA-N 1 0 231.299 0.841 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnco2)[C@H]1C ZINC000986615067 636578619 /nfs/dbraw/zinc/57/86/19/636578619.db2.gz CRIUZCUSJWSWNJ-UWVGGRQHSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnco2)[C@@H]1C ZINC000986615072 636579349 /nfs/dbraw/zinc/57/93/49/636579349.db2.gz CRIUZCUSJWSWNJ-ZJUUUORDSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)[C@@H]1C ZINC000986663752 636583445 /nfs/dbraw/zinc/58/34/45/636583445.db2.gz LEUYJVYSFFSNIB-BNDIWNMDSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2conc2C)[C@@H]1C ZINC000986792141 636584723 /nfs/dbraw/zinc/58/47/23/636584723.db2.gz GIRNDRONAKRMPE-PWSUYJOCSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccnnc2)[C@H]1C ZINC000987066589 636622835 /nfs/dbraw/zinc/62/28/35/636622835.db2.gz WDFOYEQDZCZWSS-JQWIXIFHSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccnnc2)[C@@H]1C ZINC000987062818 636623038 /nfs/dbraw/zinc/62/30/38/636623038.db2.gz METXSQZVQYBNSR-ZYHUDNBSSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+]CC(=O)N1CCC[C@H](OCC)C1 ZINC000086157133 636634574 /nfs/dbraw/zinc/63/45/74/636634574.db2.gz LBKRJIIOBCRWFE-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)[C@H]1C ZINC000987202431 636641278 /nfs/dbraw/zinc/64/12/78/636641278.db2.gz JVXDDFNMGMWJOU-VHSXEESVSA-N 1 0 249.318 0.573 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ncccn2)[C@H]1C ZINC000987222986 636641731 /nfs/dbraw/zinc/64/17/31/636641731.db2.gz IXOOUIACZYLEFC-QWRGUYRKSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC000987472423 636650145 /nfs/dbraw/zinc/65/01/45/636650145.db2.gz SPYBXTRNMUJMLD-WDEREUQCSA-N 1 0 249.318 0.043 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2cncn2)[C@@H]1C ZINC000987472421 636651599 /nfs/dbraw/zinc/65/15/99/636651599.db2.gz SPYBXTRNMUJMLD-MNOVXSKESA-N 1 0 249.318 0.043 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ccc[nH]2)[C@@H]1C ZINC000987559670 636653134 /nfs/dbraw/zinc/65/31/34/636653134.db2.gz GNNKPBVOHRAQJD-YPMHNXCESA-N 1 0 245.326 0.769 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1C ZINC000987606295 636654586 /nfs/dbraw/zinc/65/45/86/636654586.db2.gz WFSMVAJEHOZNIC-NEPJUHHUSA-N 1 0 248.330 0.648 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)COC)C1 ZINC000987657051 636658659 /nfs/dbraw/zinc/65/86/59/636658659.db2.gz OULJZEVIHGCALY-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccccn2)C1 ZINC000987768059 636667008 /nfs/dbraw/zinc/66/70/08/636667008.db2.gz BXZKYJAHWXJPQJ-VXGBXAGGSA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnccn2)C1 ZINC000987878828 636671833 /nfs/dbraw/zinc/67/18/33/636671833.db2.gz OTDGTRJAKQRYHJ-GHMZBOCLSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cc(C)no2)C1 ZINC000988045782 636677805 /nfs/dbraw/zinc/67/78/05/636677805.db2.gz KBIPXUZPDWGFIC-WDEREUQCSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2cccn2)C1 ZINC000988080714 636678433 /nfs/dbraw/zinc/67/84/33/636678433.db2.gz PSFQMHZWANXVJK-NWDGAFQWSA-N 1 0 248.330 0.648 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ccon2)C1 ZINC000988222688 636681691 /nfs/dbraw/zinc/68/16/91/636681691.db2.gz CGJPDKFCEXGWIA-UWVGGRQHSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccon2)C1 ZINC000988222690 636682374 /nfs/dbraw/zinc/68/23/74/636682374.db2.gz CGJPDKFCEXGWIA-ZJUUUORDSA-N 1 0 233.271 0.500 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cn[nH]c2)C1 ZINC000988188733 636682872 /nfs/dbraw/zinc/68/28/72/636682872.db2.gz JLDDZUBQSNIHIN-ONGXEEELSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(C)n[nH]2)C1 ZINC000988253267 636684548 /nfs/dbraw/zinc/68/45/48/636684548.db2.gz ZWSWKXPRMNSYBD-MNOVXSKESA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cocn2)C1 ZINC000988302840 636687387 /nfs/dbraw/zinc/68/73/87/636687387.db2.gz LLFQIRHBRSOBJG-NXEZZACHSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ncoc2C)C1 ZINC000988308192 636687540 /nfs/dbraw/zinc/68/75/40/636687540.db2.gz HXRHBEIHFNZRAR-ONGXEEELSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccnn2C)C1 ZINC000988331736 636688795 /nfs/dbraw/zinc/68/87/95/636688795.db2.gz BJXGSTVNWWLOCD-WDEREUQCSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2c[nH]c(C)n2)C1 ZINC000988371953 636698380 /nfs/dbraw/zinc/69/83/80/636698380.db2.gz YSVRFCYWPNFUAU-GXSJLCMTSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)Cc2cc[nH]n2)C1 ZINC000988435213 636709785 /nfs/dbraw/zinc/70/97/85/636709785.db2.gz HKWSJQOOFRRKKE-JQWIXIFHSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cncnc2)C1 ZINC000988681048 636759615 /nfs/dbraw/zinc/75/96/15/636759615.db2.gz VIDLRCSDBUFPLM-CMPLNLGQSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ncc[nH]2)C1 ZINC000988799409 636787356 /nfs/dbraw/zinc/78/73/56/636787356.db2.gz CEHHOXSMCKHQAI-NXEZZACHSA-N 1 0 234.303 0.788 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2n[nH]cc2C)C1 ZINC000988813954 636789304 /nfs/dbraw/zinc/78/93/04/636789304.db2.gz UJBLEXOHIBFJBP-WDEREUQCSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2n[nH]cc2C)C1 ZINC000988813953 636789534 /nfs/dbraw/zinc/78/95/34/636789534.db2.gz UJBLEXOHIBFJBP-QWRGUYRKSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccsn2)C1 ZINC000989031264 636795182 /nfs/dbraw/zinc/79/51/82/636795182.db2.gz UQTAZMRIFOPPPR-ZJUUUORDSA-N 1 0 249.339 0.969 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cn[nH]n2)C1 ZINC000989086900 636797525 /nfs/dbraw/zinc/79/75/25/636797525.db2.gz IZDAKQUWGJVQFH-ZJUUUORDSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cncn2C)C1 ZINC000989119222 636798713 /nfs/dbraw/zinc/79/87/13/636798713.db2.gz JIPBRMNHUVDMRU-QWRGUYRKSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cncn2C)C1 ZINC000989119223 636799424 /nfs/dbraw/zinc/79/94/24/636799424.db2.gz JIPBRMNHUVDMRU-WDEREUQCSA-N 1 0 246.314 0.246 20 30 BCEDRO C=CCNC(NC[C@@H](O)C(F)(F)F)=[NH+]C ZINC000264109594 636802968 /nfs/dbraw/zinc/80/29/68/636802968.db2.gz FQYKLXHCZDLNPX-ZCFIWIBFSA-N 1 0 225.214 0.261 20 30 BCEDRO C#CC[N@@H+](C)CCCN1C(=O)CN(CC)C1=O ZINC000925307477 636810022 /nfs/dbraw/zinc/81/00/22/636810022.db2.gz MGIKIHBJHACJDA-UHFFFAOYSA-N 1 0 237.303 0.226 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cc2cnoc2)C1 ZINC000989341268 636818950 /nfs/dbraw/zinc/81/89/50/636818950.db2.gz KGRDCUVWDHBMKZ-PWSUYJOCSA-N 1 0 249.314 0.982 20 30 BCEDRO C=C(CC)CNC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897933282 636846667 /nfs/dbraw/zinc/84/66/67/636846667.db2.gz WXNYLAZKXHNKIB-GFCCVEGCSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccnnc2)C1 ZINC000989477196 636857705 /nfs/dbraw/zinc/85/77/05/636857705.db2.gz PLHFLUFWYRHJJS-PWSUYJOCSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccncn2)C1 ZINC000989565883 636862403 /nfs/dbraw/zinc/86/24/03/636862403.db2.gz OBGOWBVAUNTGQO-MNOVXSKESA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC000989569296 636862558 /nfs/dbraw/zinc/86/25/58/636862558.db2.gz SFOHRARTRURBJM-DTWKUNHWSA-N 1 0 235.291 0.183 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnon2)C1 ZINC000989575338 636862716 /nfs/dbraw/zinc/86/27/16/636862716.db2.gz JBDURZRVTNFRPC-BDAKNGLRSA-N 1 0 236.275 0.448 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccncn2)C1 ZINC000989565885 636863270 /nfs/dbraw/zinc/86/32/70/636863270.db2.gz OBGOWBVAUNTGQO-WDEREUQCSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC000989608067 636866195 /nfs/dbraw/zinc/86/61/95/636866195.db2.gz GYQBHOXMFHCSDR-WDEREUQCSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2ncc[nH]2)C1 ZINC000989610001 636866432 /nfs/dbraw/zinc/86/64/32/636866432.db2.gz VNJZQKVPPFZQDZ-WDEREUQCSA-N 1 0 248.330 0.717 20 30 BCEDRO NC(=[NH2+])NN=Cc1cc(Cl)ccc1O ZINC000008616012 636869544 /nfs/dbraw/zinc/86/95/44/636869544.db2.gz JHAWOOHRWJYHGO-UHFFFAOYSA-N 1 0 212.640 0.863 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2oncc2C)C1 ZINC000989631940 636869576 /nfs/dbraw/zinc/86/95/76/636869576.db2.gz NQZYQXILMOGZOD-MNOVXSKESA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccn(C)n2)C1 ZINC000989794635 636880886 /nfs/dbraw/zinc/88/08/86/636880886.db2.gz ZPZCGIWYDCBNBZ-MNOVXSKESA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)C(F)F)CC1 ZINC000989827997 636883591 /nfs/dbraw/zinc/88/35/91/636883591.db2.gz MAJYTXKZRWSXHH-UHFFFAOYSA-N 1 0 216.231 0.465 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@@H]2C[C@H]2C)CC1 ZINC000989890963 636891611 /nfs/dbraw/zinc/89/16/11/636891611.db2.gz VPJAILLNYBUQJC-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@H]2CCCO2)CC1 ZINC000989912838 636897046 /nfs/dbraw/zinc/89/70/46/636897046.db2.gz VGOOXKWBKIXPLO-GFCCVEGCSA-N 1 0 236.315 0.379 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC([NH2+]CCF)CC1 ZINC000990261399 636925453 /nfs/dbraw/zinc/92/54/53/636925453.db2.gz FLZCSSRWVXFPRP-VIFPVBQESA-N 1 0 227.283 0.696 20 30 BCEDRO C[N@H+]1CC=C(CNC(=O)NCCC#N)CC1 ZINC000426416879 636972520 /nfs/dbraw/zinc/97/25/20/636972520.db2.gz MSFXEVFBOBKZGT-UHFFFAOYSA-N 1 0 222.292 0.461 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ocnc2C)CC1 ZINC000990686653 637011773 /nfs/dbraw/zinc/01/17/73/637011773.db2.gz DVCWAWNSGYLBSK-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO C=CCC1(O)CCN(C(=O)[C@@H](C)[NH+](C)C)CC1 ZINC000899594217 637099315 /nfs/dbraw/zinc/09/93/15/637099315.db2.gz YTMXSTAVQOBEHO-LLVKDONJSA-N 1 0 240.347 0.866 20 30 BCEDRO C#CCN(C(=S)NCC)C1CC[NH+](C)CC1 ZINC000899613579 637101299 /nfs/dbraw/zinc/10/12/99/637101299.db2.gz HDDAHDFLPUATJW-UHFFFAOYSA-N 1 0 239.388 0.910 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CC(=O)N(C)C ZINC000900003935 637165345 /nfs/dbraw/zinc/16/53/45/637165345.db2.gz MXBBVVCDIZMMQA-UHFFFAOYSA-N 1 0 241.335 0.041 20 30 BCEDRO C[C@@H]([NH2+][C@H]1C[C@H](C(N)=O)C1)c1cc(C#N)ccn1 ZINC000903069861 637340423 /nfs/dbraw/zinc/34/04/23/637340423.db2.gz KZBLTSYPPGFWPE-FBIMIBRVSA-N 1 0 244.298 0.868 20 30 BCEDRO C=CCC[C@@H](O)CN1CC[NH2+]C[C@@H]1CCOC ZINC000903841353 637385245 /nfs/dbraw/zinc/38/52/45/637385245.db2.gz WTTQSCLLDBLTQK-QWHCGFSZSA-N 1 0 242.363 0.624 20 30 BCEDRO C=CCC[C@@H](O)CN1CC[NH2+]C[C@H]1CCOC ZINC000903841349 637385140 /nfs/dbraw/zinc/38/51/40/637385140.db2.gz WTTQSCLLDBLTQK-CHWSQXEVSA-N 1 0 242.363 0.624 20 30 BCEDRO Cc1ncc(CO)c(/C=N/C[C@H]2CC[N@H+]2C)c1O ZINC000905001952 637538302 /nfs/dbraw/zinc/53/83/02/637538302.db2.gz DBHANIDFEMLOKQ-LLUUXILJSA-N 1 0 249.314 0.711 20 30 BCEDRO CNC(NCc1ncc(C(=O)OC)s1)=[NH+]C ZINC000905032536 637553325 /nfs/dbraw/zinc/55/33/25/637553325.db2.gz PIHRKCRPHOPRQV-UHFFFAOYSA-N 1 0 242.304 0.225 20 30 BCEDRO CCNC(NC1CC(CC(=O)OC)C1)=[NH+]CC ZINC000905032505 637554331 /nfs/dbraw/zinc/55/43/31/637554331.db2.gz OBKIHHUPUKDTLD-UHFFFAOYSA-N 1 0 241.335 0.903 20 30 BCEDRO Cc1cc(NC(=O)NCC#CC[NH+](C)C)n(C)n1 ZINC000905154167 637637108 /nfs/dbraw/zinc/63/71/08/637637108.db2.gz YOQDJVGSDSBPFP-UHFFFAOYSA-N 1 0 249.318 0.415 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCO2)[C@H]1C ZINC001074516430 711443301 /nfs/dbraw/zinc/44/33/01/711443301.db2.gz URGPKTSHVLDHPE-SRVKXCTJSA-N 1 0 236.315 0.378 20 30 BCEDRO C#CCCCC[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905160806 637650682 /nfs/dbraw/zinc/65/06/82/637650682.db2.gz SSHZGYVRISXTNO-CHWSQXEVSA-N 1 0 241.331 0.282 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NCC2CC2)CC1 ZINC000905144708 637653949 /nfs/dbraw/zinc/65/39/49/637653949.db2.gz HJQHFFWEHMNQBH-UHFFFAOYSA-N 1 0 235.331 0.793 20 30 BCEDRO C=CCCCC[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905216073 637699235 /nfs/dbraw/zinc/69/92/35/637699235.db2.gz PUFJAFYFSADXPU-LBPRGKRZSA-N 1 0 243.347 0.835 20 30 BCEDRO C=CCCCC[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905220481 637702220 /nfs/dbraw/zinc/70/22/20/637702220.db2.gz RYBCWHAGWYWJQH-OLZOCXBDSA-N 1 0 243.347 0.835 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C[NH2+]CC[N+](=O)[O-] ZINC000905243547 637703180 /nfs/dbraw/zinc/70/31/80/637703180.db2.gz JZWNTCCTAQOCSW-VHSXEESVSA-N 1 0 214.265 0.834 20 30 BCEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905245944 637704747 /nfs/dbraw/zinc/70/47/47/637704747.db2.gz ZJNLCCAYMHXFHD-AVGNSLFASA-N 1 0 243.347 0.833 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)C1(O)CCCC1)C(C)C ZINC000905246124 637704963 /nfs/dbraw/zinc/70/49/63/637704963.db2.gz GUWBQSPUSREGJL-NEPJUHHUSA-N 1 0 225.332 0.900 20 30 BCEDRO C=CC[C@H](CC)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905245947 637705251 /nfs/dbraw/zinc/70/52/51/637705251.db2.gz ZJNLCCAYMHXFHD-YNEHKIRRSA-N 1 0 243.347 0.833 20 30 BCEDRO N#CCC[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905238820 637724340 /nfs/dbraw/zinc/72/43/40/637724340.db2.gz YDUYPQKAWUSAMM-SNVBAGLBSA-N 1 0 212.293 0.546 20 30 BCEDRO C=CCCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905240878 637725082 /nfs/dbraw/zinc/72/50/82/637725082.db2.gz AWYISGUAZALNNI-RYUDHWBXSA-N 1 0 229.320 0.445 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905271026 637730198 /nfs/dbraw/zinc/73/01/98/637730198.db2.gz ATABDQQOYPKPKE-LLVKDONJSA-N 1 0 229.320 0.445 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905289393 637739195 /nfs/dbraw/zinc/73/91/95/637739195.db2.gz GYVDKVJSGMGGFU-SRVKXCTJSA-N 1 0 241.331 0.443 20 30 BCEDRO N#CC1(C[NH2+]C[C@H](O)C2(O)CCCC2)CCC1 ZINC000905289029 637740088 /nfs/dbraw/zinc/74/00/88/637740088.db2.gz PXSSWDMEZJGKTN-NSHDSACASA-N 1 0 238.331 0.936 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]C[C@@H](O)C2(O)CCC2)C1 ZINC000905290368 637740972 /nfs/dbraw/zinc/74/09/72/637740972.db2.gz LORJUVWDQSUFTC-HBNTYKKESA-N 1 0 224.304 0.544 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905355185 637773617 /nfs/dbraw/zinc/77/36/17/637773617.db2.gz UICFXBNOKZYRRV-MNOVXSKESA-N 1 0 229.320 0.179 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@H](O)CCC1(O)CCC1 ZINC000905356161 637774857 /nfs/dbraw/zinc/77/48/57/637774857.db2.gz DAOYYODOTYGQLZ-VXGBXAGGSA-N 1 0 241.331 0.016 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905359522 637776663 /nfs/dbraw/zinc/77/66/63/637776663.db2.gz UNECYARULHJOAM-NEPJUHHUSA-N 1 0 243.347 0.569 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905365237 637788113 /nfs/dbraw/zinc/78/81/13/637788113.db2.gz HVKDRIVMGRNJOK-RDBSUJKOSA-N 1 0 249.310 0.055 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1cccc(C)c1 ZINC000905365964 637788929 /nfs/dbraw/zinc/78/89/29/637788929.db2.gz LOFWKZOFYHATJC-CHWSQXEVSA-N 1 0 219.284 0.612 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000905365967 637789375 /nfs/dbraw/zinc/78/93/75/637789375.db2.gz LOFWKZOFYHATJC-STQMWFEESA-N 1 0 219.284 0.612 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905367222 637789472 /nfs/dbraw/zinc/78/94/72/637789472.db2.gz XNRWBWADLHBJFH-NWDGAFQWSA-N 1 0 241.331 0.016 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905367224 637790000 /nfs/dbraw/zinc/79/00/00/637790000.db2.gz XNRWBWADLHBJFH-VXGBXAGGSA-N 1 0 241.331 0.016 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905400000 637794766 /nfs/dbraw/zinc/79/47/66/637794766.db2.gz QUOGCZVUFMPXID-RYUDHWBXSA-N 1 0 241.331 0.280 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@](C)(O)C(F)F ZINC000905400763 637795534 /nfs/dbraw/zinc/79/55/34/637795534.db2.gz VYMLPJHGVVPEIF-SCZZXKLOSA-N 1 0 221.247 0.630 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905401218 637795744 /nfs/dbraw/zinc/79/57/44/637795744.db2.gz XBLGNPHLARMYGA-NWDGAFQWSA-N 1 0 241.331 0.280 20 30 BCEDRO N#Cc1ccc2c(c1)C[C@@H]([NH2+]CC[N+](=O)[O-])C2 ZINC000905409300 637798917 /nfs/dbraw/zinc/79/89/17/637798917.db2.gz OYUAKFLCWVKJKM-LBPRGKRZSA-N 1 0 231.255 0.892 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905450659 637810323 /nfs/dbraw/zinc/81/03/23/637810323.db2.gz HWRYDVOFLWMWRL-MNOVXSKESA-N 1 0 229.320 0.179 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000905455206 637820861 /nfs/dbraw/zinc/82/08/61/637820861.db2.gz XCBOIEOTOFSDEG-QWRGUYRKSA-N 1 0 231.336 0.425 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]CC2(O)CCCC2)C1 ZINC000905459233 637823496 /nfs/dbraw/zinc/82/34/96/637823496.db2.gz GASGTTHRCDTUGV-CYBMUJFWSA-N 1 0 236.359 0.979 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CCC[N@@H+](C)C1 ZINC000668463803 637845445 /nfs/dbraw/zinc/84/54/45/637845445.db2.gz ZDCIEWJNSFGIRM-CMPLNLGQSA-N 1 0 226.320 0.381 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@]1(C)CCCCO1 ZINC000905596894 637858283 /nfs/dbraw/zinc/85/82/83/637858283.db2.gz RCOHYWGMKAKECZ-ZDUSSCGKSA-N 1 0 238.331 0.675 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](COC)C(C)C ZINC000905616457 637868866 /nfs/dbraw/zinc/86/88/66/637868866.db2.gz JLQVAEMFSPOACF-GFCCVEGCSA-N 1 0 240.347 0.634 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2C[C@@H]3O[C@H]2[C@H]2C[C@H]23)CC1 ZINC000905658463 637874441 /nfs/dbraw/zinc/87/44/41/637874441.db2.gz FXQAVPNTGGNLNG-QKFSQAGISA-N 1 0 248.326 0.807 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CC[C@@H](O)C2CC2)CC1 ZINC000905692915 637894976 /nfs/dbraw/zinc/89/49/76/637894976.db2.gz YHVLQZTZPYLKJL-VXGBXAGGSA-N 1 0 238.331 0.792 20 30 BCEDRO C[C@H](C#N)N(C)C(=O)COC1CC[NH+](C)CC1 ZINC000905727236 637899123 /nfs/dbraw/zinc/89/91/23/637899123.db2.gz ASIODGCHESDPEV-SNVBAGLBSA-N 1 0 239.319 0.468 20 30 BCEDRO CC(C)[NH2+]Cc1cn(CCO[C@H](C)C#N)nn1 ZINC000905804417 637933449 /nfs/dbraw/zinc/93/34/49/637933449.db2.gz YWQYFOKIWOSXFP-SNVBAGLBSA-N 1 0 237.307 0.705 20 30 BCEDRO C=CC[C@H](NC[C@H]1CC[N@H+]1CC)C(=O)OC ZINC000905802974 637934172 /nfs/dbraw/zinc/93/41/72/637934172.db2.gz AQIOERTVSHGFTR-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@H]2COC[C@@H]2C)C1=O ZINC000905868087 637951680 /nfs/dbraw/zinc/95/16/80/637951680.db2.gz PFCCNJZKVBBXEF-DCAQKATOSA-N 1 0 224.304 0.398 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H]2COC[C@@H]2C)C1=O ZINC000905868088 637952904 /nfs/dbraw/zinc/95/29/04/637952904.db2.gz PFCCNJZKVBBXEF-GARJFASQSA-N 1 0 224.304 0.398 20 30 BCEDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1C)C(=O)N(C)CCC#N ZINC000905869007 637953507 /nfs/dbraw/zinc/95/35/07/637953507.db2.gz XVYWDVRMSJXXBN-GARJFASQSA-N 1 0 239.319 0.371 20 30 BCEDRO CN1CC[C@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000905854254 637963955 /nfs/dbraw/zinc/96/39/55/637963955.db2.gz KYYUMMTYPCCZBF-QWRGUYRKSA-N 1 0 206.293 0.724 20 30 BCEDRO C=CCOCCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905961852 638009839 /nfs/dbraw/zinc/00/98/39/638009839.db2.gz DVBGPILUSDWRAZ-LBPRGKRZSA-N 1 0 243.347 0.835 20 30 BCEDRO CN1C[C@@H](O)C[C@]1(C)C(=O)NCC(C)(C)C#N ZINC000907296093 638342219 /nfs/dbraw/zinc/34/22/19/638342219.db2.gz PBQJFGRMISCQTD-JOYOIKCWSA-N 1 0 239.319 0.107 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC(F)(F)CO ZINC000907428155 638380929 /nfs/dbraw/zinc/38/09/29/638380929.db2.gz XBZDGIXYSZLGKY-UHFFFAOYSA-N 1 0 236.262 0.238 20 30 BCEDRO C=CCCCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000907445257 638386491 /nfs/dbraw/zinc/38/64/91/638386491.db2.gz AGBAEZZOMPKBEM-DGCLKSJQSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC(=O)[C@@H](C)C1 ZINC000907510046 638394637 /nfs/dbraw/zinc/39/46/37/638394637.db2.gz IGXBJCMHZWLCIO-NSHDSACASA-N 1 0 238.331 0.932 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](O)[C@H](C)C1 ZINC000907541021 638398378 /nfs/dbraw/zinc/39/83/78/638398378.db2.gz YYYZVEDJIIUMKN-NEPJUHHUSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](O)[C@@H](C)C1 ZINC000907541024 638398802 /nfs/dbraw/zinc/39/88/02/638398802.db2.gz YYYZVEDJIIUMKN-RYUDHWBXSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC1(CCO)CC1 ZINC000907556777 638406375 /nfs/dbraw/zinc/40/63/75/638406375.db2.gz VTWWUQCINSNUNI-UHFFFAOYSA-N 1 0 240.347 0.773 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1cnns1 ZINC000907579852 638410469 /nfs/dbraw/zinc/41/04/69/638410469.db2.gz VZZJSECSOZCMNH-UHFFFAOYSA-N 1 0 226.305 0.985 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(C(C)(C)O)C1 ZINC000907603933 638420258 /nfs/dbraw/zinc/42/02/58/638420258.db2.gz KUKCDLMHYYNYGY-UHFFFAOYSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H]1CC[C@@H](O)C1 ZINC000907679792 638439497 /nfs/dbraw/zinc/43/94/97/638439497.db2.gz WKIPSNUMBAIFKB-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO C#C[C@H](CCC)NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907713837 638443235 /nfs/dbraw/zinc/44/32/35/638443235.db2.gz NFSJSGBHJHYDFO-NTZNESFSSA-N 1 0 238.331 0.360 20 30 BCEDRO C=CCN(CCOC)C(=O)C12CC[NH+](CC1)C2 ZINC000907697537 638448446 /nfs/dbraw/zinc/44/84/46/638448446.db2.gz ADPBPDKDONEJSK-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO C#C[C@H](CC)NC(=O)c1ccnn1CC[NH+](C)C ZINC000907717195 638455837 /nfs/dbraw/zinc/45/58/37/638455837.db2.gz YKYNNVOOLMOKLL-LLVKDONJSA-N 1 0 248.330 0.586 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000907773198 638466543 /nfs/dbraw/zinc/46/65/43/638466543.db2.gz BRDCEXIBNXPXEP-YPMHNXCESA-N 1 0 238.331 0.313 20 30 BCEDRO C=CCCCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000907851544 638487449 /nfs/dbraw/zinc/48/74/49/638487449.db2.gz AUYNMGDEYMTGPB-UHFFFAOYSA-N 1 0 239.363 0.562 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H]1CC[N@H+]1C(C)(C)C ZINC000907980172 638534304 /nfs/dbraw/zinc/53/43/04/638534304.db2.gz RLJDESUYXAPHMW-LLVKDONJSA-N 1 0 233.315 0.845 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CO)CCOC ZINC000907979401 638534460 /nfs/dbraw/zinc/53/44/60/638534460.db2.gz HWLCEZLZPFJJCH-NSHDSACASA-N 1 0 244.335 0.008 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(O)(CC)C1 ZINC000908057186 638554245 /nfs/dbraw/zinc/55/42/45/638554245.db2.gz VCPPTUBSDYQQEQ-UHFFFAOYSA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCn2nccc21 ZINC000908083472 638559885 /nfs/dbraw/zinc/55/98/85/638559885.db2.gz SZJYDHAPFIEEIS-UHFFFAOYSA-N 1 0 234.303 0.738 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOCCCOC ZINC000908183366 638596486 /nfs/dbraw/zinc/59/64/86/638596486.db2.gz ZGZPXFWVKAQBBY-UHFFFAOYSA-N 1 0 230.308 0.579 20 30 BCEDRO CC1(C)C[C@@]1(C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000908298514 638646817 /nfs/dbraw/zinc/64/68/17/638646817.db2.gz GZWFDULUBUYGAI-ZDUSSCGKSA-N 1 0 233.315 0.891 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@H]1[C@@H]2C(=O)CC[C@H]12 ZINC000908436786 638714700 /nfs/dbraw/zinc/71/47/00/638714700.db2.gz IAJLEYVGSIRNAO-WCFLWFBJSA-N 1 0 248.326 0.283 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908622213 639037513 /nfs/dbraw/zinc/03/75/13/639037513.db2.gz UDRVAYJSFFFRGL-IJLUTSLNSA-N 1 0 236.315 0.114 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NO[C@@H](CO)C(C)C ZINC000909054554 639133342 /nfs/dbraw/zinc/13/33/42/639133342.db2.gz QGIQPCZJUSILGV-NSHDSACASA-N 1 0 244.335 0.559 20 30 BCEDRO C=CCONC(=O)c1ccnn1CC[NH+](C)C ZINC000909285055 639196312 /nfs/dbraw/zinc/19/63/12/639196312.db2.gz IPGBACWFLODKBL-UHFFFAOYSA-N 1 0 238.291 0.292 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[N@@H+](CC)C[C@H]1C ZINC000910270111 639399396 /nfs/dbraw/zinc/39/93/96/639399396.db2.gz KAERRKUNAMCYNK-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO CC#CC(=O)N1CCC[N@@H+](CC)C[C@H]1C ZINC000910280098 639402900 /nfs/dbraw/zinc/40/29/00/639402900.db2.gz PZCCPFUVOKVNHV-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1ncc(C)cn1 ZINC000910665248 639498769 /nfs/dbraw/zinc/49/87/69/639498769.db2.gz BUOMNBGTZAGTMR-UHFFFAOYSA-N 1 0 234.303 0.519 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CC[C@H]1O ZINC000911300564 639615503 /nfs/dbraw/zinc/61/55/03/639615503.db2.gz PEWFGDDDEFVPNG-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C(C)C[N@H+](C)C[C@H](O)C[C@]1(O)CCOC1 ZINC000930243625 639652760 /nfs/dbraw/zinc/65/27/60/639652760.db2.gz HLPRSOJAITZGRX-VXGBXAGGSA-N 1 0 229.320 0.397 20 30 BCEDRO C=C(C)C[N@H+](C)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930243622 639653592 /nfs/dbraw/zinc/65/35/92/639653592.db2.gz HLPRSOJAITZGRX-NEPJUHHUSA-N 1 0 229.320 0.397 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCNC(C)=O ZINC000911543856 639663553 /nfs/dbraw/zinc/66/35/53/639663553.db2.gz ZAWLWAJCOYLEOJ-UHFFFAOYSA-N 1 0 241.335 0.089 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CO[C@@H](C)C1 ZINC000911598918 639672510 /nfs/dbraw/zinc/67/25/10/639672510.db2.gz GHRNBLPYQIFTHN-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC1CC[NH2+]CC1 ZINC000911629704 639689109 /nfs/dbraw/zinc/68/91/09/639689109.db2.gz MBENELRJELAZOU-RYUDHWBXSA-N 1 0 238.331 0.836 20 30 BCEDRO Cc1ccc(C#N)cc1C(=O)NCC[NH3+] ZINC000911629241 639690492 /nfs/dbraw/zinc/69/04/92/639690492.db2.gz GSKNYDQSWMVCNW-UHFFFAOYSA-N 1 0 203.245 0.555 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000911672966 639696955 /nfs/dbraw/zinc/69/69/55/639696955.db2.gz IFDQDUIOVAVAKG-WOPDTQHZSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000911672965 639697446 /nfs/dbraw/zinc/69/74/46/639697446.db2.gz IFDQDUIOVAVAKG-SRVKXCTJSA-N 1 0 238.331 0.836 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)c(F)c1 ZINC000911651939 639708199 /nfs/dbraw/zinc/70/81/99/639708199.db2.gz HLIIWJABCOMPAQ-SECBINFHSA-N 1 0 233.246 0.871 20 30 BCEDRO C[NH2+]CCCNC(=O)C1(C#N)CCSCC1 ZINC000911676118 639717998 /nfs/dbraw/zinc/71/79/98/639717998.db2.gz HBAZZZYTOAZXGL-UHFFFAOYSA-N 1 0 241.360 0.749 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Nc1cccnn1 ZINC000930349645 639725567 /nfs/dbraw/zinc/72/55/67/639725567.db2.gz XJPKDKOCUMKNSD-UHFFFAOYSA-N 1 0 233.275 0.163 20 30 BCEDRO N#CC1(C(=O)N[C@@H]2CC[NH2+]C2)CCCCC1 ZINC000911695526 639730595 /nfs/dbraw/zinc/73/05/95/639730595.db2.gz LYCJPAHYBRXUPR-SNVBAGLBSA-N 1 0 221.304 0.939 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H]2CC[NH2+]C2)c(F)c1 ZINC000911694936 639730843 /nfs/dbraw/zinc/73/08/43/639730843.db2.gz GYDPHLFAZKQRQR-VIFPVBQESA-N 1 0 233.246 0.789 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000930364550 639732043 /nfs/dbraw/zinc/73/20/43/639732043.db2.gz IFIYUVBYZIKBRQ-IJLUTSLNSA-N 1 0 224.304 0.904 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]1[C@@H]1CCCO1 ZINC000930364551 639733335 /nfs/dbraw/zinc/73/33/35/639733335.db2.gz IFIYUVBYZIKBRQ-UTUOFQBUSA-N 1 0 224.304 0.904 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CCCCC[C@H]1CCO ZINC000930371316 639735888 /nfs/dbraw/zinc/73/58/88/639735888.db2.gz RIOWKVJAPYZZLU-NWDGAFQWSA-N 1 0 226.320 0.888 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000911704552 639757809 /nfs/dbraw/zinc/75/78/09/639757809.db2.gz UUUHDVWFTSDXER-KOLCDFICSA-N 1 0 212.293 0.039 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000911736022 639762181 /nfs/dbraw/zinc/76/21/81/639762181.db2.gz GCNRQJNEZZFSIQ-ONGXEEELSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000911736020 639762687 /nfs/dbraw/zinc/76/26/87/639762687.db2.gz GCNRQJNEZZFSIQ-KOLCDFICSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000911750330 639774658 /nfs/dbraw/zinc/77/46/58/639774658.db2.gz ATYQOWLRLZPYNU-SRVKXCTJSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C(C)[C@H]1OCC[C@H]1C(=O)NCC[NH2+]CC ZINC000911751249 639777165 /nfs/dbraw/zinc/77/71/65/639777165.db2.gz UWKYUJKZCPSGLJ-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO CC(C)[C@H]1C[N@H+](C)CCN1C[C@H](O)CC#N ZINC000930567166 639811771 /nfs/dbraw/zinc/81/17/71/639811771.db2.gz CYPQVRHJIOOYBZ-VXGBXAGGSA-N 1 0 225.336 0.533 20 30 BCEDRO CC(C)(CO)[C@H]([NH2+]C[C@H](O)CC#N)C1CC1 ZINC000930585826 639814658 /nfs/dbraw/zinc/81/46/58/639814658.db2.gz KRHBWQOJIWKHAE-GHMZBOCLSA-N 1 0 226.320 0.648 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC1CN(S(C)(=O)=O)C1 ZINC000930601760 639815679 /nfs/dbraw/zinc/81/56/79/639815679.db2.gz WCZWNQZOTJMZAV-LLVKDONJSA-N 1 0 244.360 0.269 20 30 BCEDRO CC[C@@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)CC#N ZINC000930606889 639819507 /nfs/dbraw/zinc/81/95/07/639819507.db2.gz IZPCZJWKNODHFS-GMTAPVOTSA-N 1 0 212.293 0.354 20 30 BCEDRO CO[C@@H]1[C@@H](C)[C@H]([NH2+]C[C@H](O)CC#N)C1(C)C ZINC000930633100 639833525 /nfs/dbraw/zinc/83/35/25/639833525.db2.gz NXEKHPHQVFKWRT-ZRUFSTJUSA-N 1 0 226.320 0.910 20 30 BCEDRO CO[C@H]1CC[N@H+](C[C@H](O)CC#N)C[C@H]1C ZINC000930637772 639835009 /nfs/dbraw/zinc/83/50/09/639835009.db2.gz MOWQAXNWUSKOJH-MXWKQRLJSA-N 1 0 212.293 0.618 20 30 BCEDRO CC[C@@H](CO)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000930638671 639836756 /nfs/dbraw/zinc/83/67/56/639836756.db2.gz JJMGTBRJFOWVCX-JTQLQIEISA-N 1 0 240.303 0.536 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911823924 639837887 /nfs/dbraw/zinc/83/78/87/639837887.db2.gz BDQGAEMRSPZZKG-SCZZXKLOSA-N 1 0 200.282 0.023 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@](CO)(COC)C1 ZINC000930656956 639848698 /nfs/dbraw/zinc/84/86/98/639848698.db2.gz DAANQNNQZZUJMF-VXGBXAGGSA-N 1 0 229.320 0.254 20 30 BCEDRO CC(C)([NH3+])CNC(=O)C1(C#N)CCSCC1 ZINC000911847097 639856568 /nfs/dbraw/zinc/85/65/68/639856568.db2.gz VEJYLOBJCPFEQI-UHFFFAOYSA-N 1 0 241.360 0.877 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H](C[NH3+])CCCC ZINC000911879431 639865602 /nfs/dbraw/zinc/86/56/02/639865602.db2.gz GKNPLXATHDLZJG-GXSJLCMTSA-N 1 0 214.309 0.557 20 30 BCEDRO CC[N@@H+]1CCCN(C[C@H](O)CC#N)[C@H](C)C1 ZINC000930711184 639876040 /nfs/dbraw/zinc/87/60/40/639876040.db2.gz HXWVAXRHQCMQHP-VXGBXAGGSA-N 1 0 225.336 0.677 20 30 BCEDRO COC1([C@H](C)[NH2+]C[C@H](O)CC#N)CCC1 ZINC000930721688 639877341 /nfs/dbraw/zinc/87/73/41/639877341.db2.gz IYFUUQDJAJAWLQ-VHSXEESVSA-N 1 0 212.293 0.808 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000930721155 639877399 /nfs/dbraw/zinc/87/73/99/639877399.db2.gz WSONAAHAOIJSMH-SRVKXCTJSA-N 1 0 229.320 0.301 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@@H](CO)[C@@H]1CCCOC1 ZINC000930721157 639877476 /nfs/dbraw/zinc/87/74/76/639877476.db2.gz WSONAAHAOIJSMH-WOPDTQHZSA-N 1 0 229.320 0.301 20 30 BCEDRO COC1([C@@H](C)[NH2+]C[C@H](O)CC#N)CCC1 ZINC000930721687 639877828 /nfs/dbraw/zinc/87/78/28/639877828.db2.gz IYFUUQDJAJAWLQ-NXEZZACHSA-N 1 0 212.293 0.808 20 30 BCEDRO C=CCNC(=O)c1ccc2c(n1)C[NH2+]CC2 ZINC000911926400 639883062 /nfs/dbraw/zinc/88/30/62/639883062.db2.gz YERJGVYMYFIBNG-UHFFFAOYSA-N 1 0 217.272 0.643 20 30 BCEDRO C=CCNC(=O)C1=NO[C@]2(C1)CCC[NH2+]C2 ZINC000911926404 639883111 /nfs/dbraw/zinc/88/31/11/639883111.db2.gz YMOFJSSSWQXMRF-NSHDSACASA-N 1 0 223.276 0.187 20 30 BCEDRO C=C[C@@H](C)ONC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000911902712 639884507 /nfs/dbraw/zinc/88/45/07/639884507.db2.gz DDTAFNPSEWADHS-PWSUYJOCSA-N 1 0 242.319 0.456 20 30 BCEDRO C=C[C@H](C)ONC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000911902711 639884770 /nfs/dbraw/zinc/88/47/70/639884770.db2.gz DDTAFNPSEWADHS-JQWIXIFHSA-N 1 0 242.319 0.456 20 30 BCEDRO COC(=O)[C@@]1(C)CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000930739286 639887832 /nfs/dbraw/zinc/88/78/32/639887832.db2.gz UWGZPLZXHDJIAJ-PWSUYJOCSA-N 1 0 240.303 0.536 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1ccnc(C#N)c1 ZINC000911911081 639889067 /nfs/dbraw/zinc/88/90/67/639889067.db2.gz MLZHHGFMIZMYCG-NSHDSACASA-N 1 0 220.276 0.151 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CO)CCF ZINC000911912622 639890989 /nfs/dbraw/zinc/89/09/89/639890989.db2.gz OEFHCCWRFDKIPJ-JTQLQIEISA-N 1 0 232.299 0.331 20 30 BCEDRO C[C@H]1C[C@H](CO)C[N@H+](C[C@H](O)CC#N)C1 ZINC000930747711 639894810 /nfs/dbraw/zinc/89/48/10/639894810.db2.gz FPCVVUHVJNMXDU-GARJFASQSA-N 1 0 212.293 0.211 20 30 BCEDRO COCCC[N@H+](C)CCNc1ccnc(C#N)c1 ZINC000911937103 639898455 /nfs/dbraw/zinc/89/84/55/639898455.db2.gz KBJCAPIACAOIBB-UHFFFAOYSA-N 1 0 248.330 0.755 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CCC[C@H](CCO)CC1 ZINC000930755024 639898695 /nfs/dbraw/zinc/89/86/95/639898695.db2.gz UURSUJYCEFVRSK-NWDGAFQWSA-N 1 0 226.320 0.745 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000930818827 639920528 /nfs/dbraw/zinc/92/05/28/639920528.db2.gz PFGVSMOFDLKODQ-NEPJUHHUSA-N 1 0 240.303 0.142 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)N(C)CC(=O)N(C)C ZINC000912066753 639931191 /nfs/dbraw/zinc/93/11/91/639931191.db2.gz VZIFAKNQCLOENK-SNVBAGLBSA-N 1 0 241.335 0.217 20 30 BCEDRO CC[C@@H](CO)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000930828338 639931711 /nfs/dbraw/zinc/93/17/11/639931711.db2.gz JUZABARFYPWSKD-TUAOUCFPSA-N 1 0 225.336 0.675 20 30 BCEDRO CC[C@H](CO)[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000930828336 639932549 /nfs/dbraw/zinc/93/25/49/639932549.db2.gz JUZABARFYPWSKD-SDDRHHMPSA-N 1 0 225.336 0.675 20 30 BCEDRO C#CCCC[N@H+]1[C@H](C)C(=O)N[C@@H](C)[C@H]1C ZINC000930839398 639939001 /nfs/dbraw/zinc/93/90/01/639939001.db2.gz WYXOSEDCCCIGCH-HBNTYKKESA-N 1 0 208.305 0.997 20 30 BCEDRO C[C@H](CO)C1CC[NH+](C[C@H](O)CC#N)CC1 ZINC000930854515 639952046 /nfs/dbraw/zinc/95/20/46/639952046.db2.gz FEXGWXLOBIBLPG-ZYHUDNBSSA-N 1 0 226.320 0.601 20 30 BCEDRO C#CCCCCCC[NH2+][C@]1(C(N)=O)CCOC1 ZINC000930888884 639973759 /nfs/dbraw/zinc/97/37/59/639973759.db2.gz BXJSOEGDMJUYKT-CYBMUJFWSA-N 1 0 238.331 0.804 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NN1CCCC[C@@H]1C ZINC000912149437 639975543 /nfs/dbraw/zinc/97/55/43/639975543.db2.gz YZRRJDGTABEEML-STQMWFEESA-N 1 0 249.358 0.990 20 30 BCEDRO C#CCOCC[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@@H]1C ZINC000930910726 639978167 /nfs/dbraw/zinc/97/81/67/639978167.db2.gz HPJYSKWZLMVDMG-GRYCIOLGSA-N 1 0 238.331 0.611 20 30 BCEDRO COCC#CC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930909863 639980900 /nfs/dbraw/zinc/98/09/00/639980900.db2.gz TXRDTDPFMGJGRW-UTUOFQBUSA-N 1 0 238.331 0.611 20 30 BCEDRO CC#CC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930907340 639981622 /nfs/dbraw/zinc/98/16/22/639981622.db2.gz BZOQTVUBJVFVRC-MXWKQRLJSA-N 1 0 208.305 0.984 20 30 BCEDRO COCC#CC[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C ZINC000930909862 639982287 /nfs/dbraw/zinc/98/22/87/639982287.db2.gz TXRDTDPFMGJGRW-IJLUTSLNSA-N 1 0 238.331 0.611 20 30 BCEDRO C[C@@H]1CC[C@@H](C(N)=O)[C@@H](C)[N@@H+]1C[C@H](O)CC#N ZINC000930913972 639983621 /nfs/dbraw/zinc/98/36/21/639983621.db2.gz YUJKZQBUJKMVNA-GWOFURMSSA-N 1 0 239.319 0.235 20 30 BCEDRO C[C@H](O)[C@@H](O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000930922496 639990603 /nfs/dbraw/zinc/99/06/03/639990603.db2.gz LFHOAWDLMKALNO-DCAQKATOSA-N 1 0 212.293 0.354 20 30 BCEDRO C#CCN(C[C@H](O)CC#N)C1CSC1 ZINC000930960225 639998881 /nfs/dbraw/zinc/99/88/81/639998881.db2.gz INCLZCNDUSMCAU-SNVBAGLBSA-N 1 0 210.302 0.312 20 30 BCEDRO C[C@@H]1C[NH+](C[C@H](O)CC#N)C[C@@H](C)C1O ZINC000930995657 640015118 /nfs/dbraw/zinc/01/51/18/640015118.db2.gz LQWXWFDHKSASIH-OPRDCNLKSA-N 1 0 212.293 0.210 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912320471 640026560 /nfs/dbraw/zinc/02/65/60/640026560.db2.gz BICLTFRJSLGIQM-JTQLQIEISA-N 1 0 221.304 0.843 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CC([NH+]2CCCC2)C1 ZINC000912320472 640027104 /nfs/dbraw/zinc/02/71/04/640027104.db2.gz BICLTFRJSLGIQM-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](N(C)C)[C@H]1C ZINC000931039287 640034264 /nfs/dbraw/zinc/03/42/64/640034264.db2.gz XGGXSMAYSQFCSH-VXGBXAGGSA-N 1 0 237.347 0.150 20 30 BCEDRO C=CCCNC(=O)[C@@]1(C)C[C@@H](O)C[N@H+]1C ZINC000912378492 640034288 /nfs/dbraw/zinc/03/42/88/640034288.db2.gz HHAQNAIFVVBPTL-MWLCHTKSSA-N 1 0 212.293 0.134 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912379559 640035971 /nfs/dbraw/zinc/03/59/71/640035971.db2.gz NXHOEYJQGDHMTR-BXKDBHETSA-N 1 0 221.304 0.747 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000931047360 640039712 /nfs/dbraw/zinc/03/97/12/640039712.db2.gz OSKOYPUCGYBNRK-WDEREUQCSA-N 1 0 225.336 0.313 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912374404 640044718 /nfs/dbraw/zinc/04/47/18/640044718.db2.gz NNLWYCMGFILXNP-ZYHUDNBSSA-N 1 0 224.304 0.134 20 30 BCEDRO COC(=O)[C@@H]1CC[N@H+](C[C@H](O)CC#N)C[C@@H]1C ZINC000931062805 640051337 /nfs/dbraw/zinc/05/13/37/640051337.db2.gz UQEWQDLIDRNJBE-HBNTYKKESA-N 1 0 240.303 0.392 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCOCCOCC ZINC000931067394 640055103 /nfs/dbraw/zinc/05/51/03/640055103.db2.gz NYJVMUJAFHMTQR-SNVBAGLBSA-N 1 0 203.282 0.176 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H]1CCC2(COC2)O1 ZINC000931067743 640055745 /nfs/dbraw/zinc/05/57/45/640055745.db2.gz SBDMIJRLFHKQMH-NXEZZACHSA-N 1 0 213.277 0.071 20 30 BCEDRO COC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000931073811 640058150 /nfs/dbraw/zinc/05/81/50/640058150.db2.gz MLVVGHRZNGYHCL-BBBLOLIVSA-N 1 0 226.276 0.192 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCC(=O)OC ZINC000912450624 640080152 /nfs/dbraw/zinc/08/01/52/640080152.db2.gz AIHPGFFUHPFJLW-SECBINFHSA-N 1 0 228.292 0.349 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H](O)CCOCC)CC1 ZINC000931150535 640077818 /nfs/dbraw/zinc/07/78/18/640077818.db2.gz FVBMLEFZJYISOJ-GFCCVEGCSA-N 1 0 241.331 0.234 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H](O)CCC)CC1 ZINC000931149493 640078466 /nfs/dbraw/zinc/07/84/66/640078466.db2.gz KOOHZXHAZFTQNW-LLVKDONJSA-N 1 0 211.305 0.608 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NCCCNC(C)=O ZINC000912448923 640078618 /nfs/dbraw/zinc/07/86/18/640078618.db2.gz AZLQGDXRDNNTME-NSHDSACASA-N 1 0 241.335 0.312 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H](O)CSC)CC1 ZINC000931151367 640079714 /nfs/dbraw/zinc/07/97/14/640079714.db2.gz SEHHQJTZBYRGIC-JTQLQIEISA-N 1 0 229.345 0.170 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@](C)(O)C(F)F)CC1 ZINC000931154613 640080733 /nfs/dbraw/zinc/08/07/33/640080733.db2.gz YKXKJISBHDYHBO-JTQLQIEISA-N 1 0 233.258 0.463 20 30 BCEDRO C=CCN(Cc1ccccc1)C(=O)C[C@@H](O)C[NH3+] ZINC000912486897 640085457 /nfs/dbraw/zinc/08/54/57/640085457.db2.gz FDNVOUDQIMAMIP-CYBMUJFWSA-N 1 0 248.326 0.911 20 30 BCEDRO C#CCC[N@@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000931193701 640087588 /nfs/dbraw/zinc/08/75/88/640087588.db2.gz KKDZTBIBNPNKPH-UHFFFAOYSA-N 1 0 205.261 0.507 20 30 BCEDRO CNC(=O)CCNC(NC(C)(C)C)=[NH+]C1CC1 ZINC000912505691 640100915 /nfs/dbraw/zinc/10/09/15/640100915.db2.gz DOTYULPVMQWESZ-UHFFFAOYSA-N 1 0 240.351 0.619 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCNC(=O)CC1(C)C ZINC000931203757 640102775 /nfs/dbraw/zinc/10/27/75/640102775.db2.gz WHQRKPFOOIVXHP-NSHDSACASA-N 1 0 240.347 0.914 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](NC(=O)CC#N)C12CCC2 ZINC000912601081 640132361 /nfs/dbraw/zinc/13/23/61/640132361.db2.gz PALDLVNFJGOIBG-ZJUUUORDSA-N 1 0 221.304 0.889 20 30 BCEDRO CC#CC(=O)N[C@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000912602832 640134151 /nfs/dbraw/zinc/13/41/51/640134151.db2.gz WXAHAFGRCSAHHC-WDEREUQCSA-N 1 0 220.316 0.999 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(Cc3ccncc3C#N)C[C@H]21 ZINC000931281406 640134575 /nfs/dbraw/zinc/13/45/75/640134575.db2.gz RZFGNSNHLYSTBD-WDNDVIMCSA-N 1 0 242.326 0.945 20 30 BCEDRO CN1CCN(C(=O)CC(C)(C)C#N)[C@H](CO)C1 ZINC000912739312 640186968 /nfs/dbraw/zinc/18/69/68/640186968.db2.gz WHAHIBWULUQGTK-JTQLQIEISA-N 1 0 239.319 0.061 20 30 BCEDRO CO[C@H]1CC[C@@H](C)[N@H+](C[C@H](O)CC#N)C1 ZINC000931475300 640231856 /nfs/dbraw/zinc/23/18/56/640231856.db2.gz RRHCSTPIDYQWRI-MXWKQRLJSA-N 1 0 212.293 0.760 20 30 BCEDRO C#CC[C@H]1CCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000912986172 640264507 /nfs/dbraw/zinc/26/45/07/640264507.db2.gz UDKNTTMDJKCJIS-LBPRGKRZSA-N 1 0 232.327 0.954 20 30 BCEDRO CC(C)[C@H]1CN(C[C@H](O)CC#N)CC[N@@H+]1C ZINC000931549069 640267796 /nfs/dbraw/zinc/26/77/96/640267796.db2.gz BKLBTPIDXAOMKC-VXGBXAGGSA-N 1 0 225.336 0.533 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nn1cccn1 ZINC000913002451 640270312 /nfs/dbraw/zinc/27/03/12/640270312.db2.gz KURYFEFMOAHSJD-UHFFFAOYSA-N 1 0 208.265 0.461 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1cc(OC)n[nH]1 ZINC000912996570 640277426 /nfs/dbraw/zinc/27/74/26/640277426.db2.gz VRQWDQRJSYCFDF-UHFFFAOYSA-N 1 0 238.291 0.865 20 30 BCEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C[C@H](O)CC#N ZINC000931619586 640289799 /nfs/dbraw/zinc/28/97/99/640289799.db2.gz AGVOQQGNSRLMAN-WOPDTQHZSA-N 1 0 223.320 0.429 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931633527 640295819 /nfs/dbraw/zinc/29/58/19/640295819.db2.gz GWZBGKYQMVBYDE-NWDGAFQWSA-N 1 0 241.331 0.844 20 30 BCEDRO C#CCCC[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931633272 640297616 /nfs/dbraw/zinc/29/76/16/640297616.db2.gz HZFICZXJLUOPIR-LLVKDONJSA-N 1 0 227.304 0.456 20 30 BCEDRO C=C(C)[C@@H](CO)[NH2+][C@@H]1COCCC1(OC)OC ZINC000931673686 640310913 /nfs/dbraw/zinc/31/09/13/640310913.db2.gz UDSUHSMZDPEMIG-GHMZBOCLSA-N 1 0 245.319 0.291 20 30 BCEDRO C#CCC1(O)CC[NH+](C(COC)COC)CC1 ZINC000931700445 640324289 /nfs/dbraw/zinc/32/42/89/640324289.db2.gz OORUGERXCFUDNS-UHFFFAOYSA-N 1 0 241.331 0.498 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)C2(O)CCCC2)C1 ZINC000931714815 640331916 /nfs/dbraw/zinc/33/19/16/640331916.db2.gz KDHKKKOYWQWCPA-OLZOCXBDSA-N 1 0 237.343 0.998 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000931745763 640346623 /nfs/dbraw/zinc/34/66/23/640346623.db2.gz CVUXXTWGZRBAPY-KXUCPTDWSA-N 1 0 212.318 0.556 20 30 BCEDRO C=C[C@@H](O)C(=O)N1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000913276646 640346747 /nfs/dbraw/zinc/34/67/47/640346747.db2.gz JYWGKFOPWHKJKM-RTXFEEFZSA-N 1 0 238.331 0.334 20 30 BCEDRO C=CCC1(O)CC[NH+](C[C@@H](O)[C@H](C)O)CC1 ZINC000931749859 640349066 /nfs/dbraw/zinc/34/90/66/640349066.db2.gz CIJXDGSIPYTHIA-WDEREUQCSA-N 1 0 229.320 0.131 20 30 BCEDRO CC[C@H](C)[C@H]([NH2+]Cc1cncc(C#N)c1)C(N)=O ZINC000931761844 640354766 /nfs/dbraw/zinc/35/47/66/640354766.db2.gz PSJIHJCQHBBTRF-CABZTGNLSA-N 1 0 246.314 0.943 20 30 BCEDRO CC[C@H](CO)[NH2+]CC(=O)N(CC)C[C@H](C)C#N ZINC000931766294 640358698 /nfs/dbraw/zinc/35/86/98/640358698.db2.gz AEACZYGHUBJFRK-GHMZBOCLSA-N 1 0 241.335 0.355 20 30 BCEDRO CC[C@@H](CO)[NH2+]CCCSCC#N ZINC000931766344 640359135 /nfs/dbraw/zinc/35/91/35/640359135.db2.gz BBTKRVYXZCUDJN-VIFPVBQESA-N 1 0 202.323 0.994 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H](CC)CO)C1=O ZINC000931771934 640364422 /nfs/dbraw/zinc/36/44/22/640364422.db2.gz IIVNUALVWUGEBB-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C[C@H](CC(=O)NCC#CC[NH+](C)C)n1cccn1 ZINC000913523428 640379630 /nfs/dbraw/zinc/37/96/30/640379630.db2.gz ZQHULQKLBRWVHD-GFCCVEGCSA-N 1 0 248.330 0.515 20 30 BCEDRO Cc1ccc(C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913516184 640380531 /nfs/dbraw/zinc/38/05/31/640380531.db2.gz FIQJCFHZUDDEJX-UHFFFAOYSA-N 1 0 231.299 0.685 20 30 BCEDRO Cc1nnccc1C(=O)NCC#CC[NH+](C)C ZINC000913520193 640381871 /nfs/dbraw/zinc/38/18/71/640381871.db2.gz HUPSCALOHBXKFB-UHFFFAOYSA-N 1 0 232.287 0.080 20 30 BCEDRO CC[C@@H](C)[C@H](O)C(=O)NCC#CC[NH+](C)C ZINC000913520643 640382040 /nfs/dbraw/zinc/38/20/40/640382040.db2.gz WCFRLKBXURTOSQ-MNOVXSKESA-N 1 0 226.320 0.075 20 30 BCEDRO C[C@@H]1C[C@@H](C(=O)NCC#CC[NH+](C)C)CCO1 ZINC000913520144 640382796 /nfs/dbraw/zinc/38/27/96/640382796.db2.gz FNNOKUNCBLCYTC-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)CCCn1cccc1 ZINC000913519916 640382852 /nfs/dbraw/zinc/38/28/52/640382852.db2.gz UOKGIHMBYAOTRI-UHFFFAOYSA-N 1 0 247.342 0.950 20 30 BCEDRO CO[C@@H](C)CCC(=O)NCC#CC[NH+](C)C ZINC000913521194 640383567 /nfs/dbraw/zinc/38/35/67/640383567.db2.gz OFNFRHNCYMFKLW-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO COC(=O)C[C@@H]1C[N@H+](C[C@H](O)CC#N)C[C@H]1C ZINC000932102262 640424649 /nfs/dbraw/zinc/42/46/49/640424649.db2.gz BDJYZNHXNIRSOM-GMTAPVOTSA-N 1 0 240.303 0.392 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H]1c1ccnn1C ZINC000932271841 640467934 /nfs/dbraw/zinc/46/79/34/640467934.db2.gz WFQQYEXXRXRPGD-LBPRGKRZSA-N 1 0 248.330 0.859 20 30 BCEDRO C=C(C)COCC[NH2+]CCS(C)(=O)=O ZINC000164535127 640490363 /nfs/dbraw/zinc/49/03/63/640490363.db2.gz BNAUKZSSSNKRCP-UHFFFAOYSA-N 1 0 221.322 0.213 20 30 BCEDRO C[C@H]1CCN(CC(=O)NCCC#N)CCO1 ZINC000932349548 640493816 /nfs/dbraw/zinc/49/38/16/640493816.db2.gz LJWIKPAYHLRXDS-JTQLQIEISA-N 1 0 225.292 0.127 20 30 BCEDRO C[C@@H]1CCN(CC(=O)NCCC#N)CCO1 ZINC000932349550 640494677 /nfs/dbraw/zinc/49/46/77/640494677.db2.gz LJWIKPAYHLRXDS-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO C#CC[N@@H+](CCCC(=O)NC(N)=O)C(C)C ZINC000932392492 640520862 /nfs/dbraw/zinc/52/08/62/640520862.db2.gz LCBTZNBOLFSUAF-UHFFFAOYSA-N 1 0 225.292 0.305 20 30 BCEDRO C#CC[N@H+](C[C@@H](O)CC1(O)CCC1)C(C)C ZINC000932384237 640510210 /nfs/dbraw/zinc/51/02/10/640510210.db2.gz NVEFGLZWTLGTOW-LBPRGKRZSA-N 1 0 225.332 0.996 20 30 BCEDRO C#CC[N@H+](C[C@@H](O)CC(C)(C)O)C(C)C ZINC000932383990 640511387 /nfs/dbraw/zinc/51/13/87/640511387.db2.gz LOMXAEOAPZQYPD-NSHDSACASA-N 1 0 213.321 0.852 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)CO[C@H](C)COC)C(C)C ZINC000932387378 640514821 /nfs/dbraw/zinc/51/48/21/640514821.db2.gz HVLZPMDGCBUVDJ-OLZOCXBDSA-N 1 0 243.347 0.742 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)CO[C@@H](C)COC)C(C)C ZINC000932387381 640515284 /nfs/dbraw/zinc/51/52/84/640515284.db2.gz HVLZPMDGCBUVDJ-STQMWFEESA-N 1 0 243.347 0.742 20 30 BCEDRO C#CC[N@H+](C[C@@H]1CCC(=O)N1)C(C)(C)C ZINC000932462390 640534975 /nfs/dbraw/zinc/53/49/75/640534975.db2.gz XWJAYFBFRMMSCJ-JTQLQIEISA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[N@@H+](CC(=O)NCC(=O)OC)C(C)(C)C ZINC000932466255 640538526 /nfs/dbraw/zinc/53/85/26/640538526.db2.gz WPGSHNNXEYOELD-UHFFFAOYSA-N 1 0 240.303 0.009 20 30 BCEDRO C#CC[N@@H+](CCCS(N)(=O)=O)C(C)(C)C ZINC000932464089 640538856 /nfs/dbraw/zinc/53/88/56/640538856.db2.gz LNWXJKFNBWJSNH-UHFFFAOYSA-N 1 0 232.349 0.399 20 30 BCEDRO C=CC[NH+]1CCC([C@H]2COC(=O)N2)CC1 ZINC000932781315 640610781 /nfs/dbraw/zinc/61/07/81/640610781.db2.gz XXZJFGGVBNEBDH-SNVBAGLBSA-N 1 0 210.277 0.993 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C2CCC1(C(N)=O)CC2 ZINC000932934682 640647102 /nfs/dbraw/zinc/64/71/02/640647102.db2.gz MWCVNHAYQTVYMV-GRZMOONWSA-N 1 0 237.303 0.397 20 30 BCEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])NC(C)(C)C ZINC000157407702 640673392 /nfs/dbraw/zinc/67/33/92/640673392.db2.gz CKQHUHNJWZSTNZ-UHFFFAOYSA-N 1 0 242.367 0.852 20 30 BCEDRO C=C(Cl)CNC(=O)COC1CC[NH+](C)CC1 ZINC000933170802 640674233 /nfs/dbraw/zinc/67/42/33/640674233.db2.gz WALQQEQGUIZRGC-UHFFFAOYSA-N 1 0 246.738 0.966 20 30 BCEDRO C=CCC[C@H](O)CN1CCOC[C@@H]1COC ZINC000933336287 640705432 /nfs/dbraw/zinc/70/54/32/640705432.db2.gz PDHYJMPEIAHPFA-RYUDHWBXSA-N 1 0 229.320 0.661 20 30 BCEDRO C=C(C)CN1CC(NC(=O)Cc2ccn(C)n2)C1 ZINC001030294505 640736103 /nfs/dbraw/zinc/73/61/03/640736103.db2.gz JDQNDNTVQZLKSI-UHFFFAOYSA-N 1 0 248.330 0.339 20 30 BCEDRO C#CCN1CC(NC(=O)[C@@H]2CCC[N@H+]2C(C)C)C1 ZINC001030300902 640740049 /nfs/dbraw/zinc/74/00/49/640740049.db2.gz QGWCHAODVADIIX-ZDUSSCGKSA-N 1 0 249.358 0.293 20 30 BCEDRO C=CCNC(=O)CN1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000933746225 640763860 /nfs/dbraw/zinc/76/38/60/640763860.db2.gz UCNNBNUKPFXSON-YPMHNXCESA-N 1 0 237.347 0.172 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]([NH3+])CCOC ZINC000167939301 640764588 /nfs/dbraw/zinc/76/45/88/640764588.db2.gz FJCGBXIJBBDHJS-ZETCQYMHSA-N 1 0 206.673 0.219 20 30 BCEDRO C=CCOCC[N@@H+](CC)CCC(=O)NC ZINC000933863092 640775459 /nfs/dbraw/zinc/77/54/59/640775459.db2.gz SMZZNJSGQZDOKR-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO C#CCOCC[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933896093 640783191 /nfs/dbraw/zinc/78/31/91/640783191.db2.gz JWMGXVNALHSEDP-LLVKDONJSA-N 1 0 225.288 0.474 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H]1C1OCCO1 ZINC000933900167 640784028 /nfs/dbraw/zinc/78/40/28/640784028.db2.gz VIUOKKIPQVIHGA-QWRGUYRKSA-N 1 0 240.303 0.752 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1C1OCCO1 ZINC000933900383 640784789 /nfs/dbraw/zinc/78/47/89/640784789.db2.gz VIUOKKIPQVIHGA-WDEREUQCSA-N 1 0 240.303 0.752 20 30 BCEDRO C=C(Br)CNC(=O)[C@@H](C)[C@H](C)[NH3+] ZINC000168303948 640799547 /nfs/dbraw/zinc/79/95/47/640799547.db2.gz LHXQCASEHJPHFQ-BQBZGAKWSA-N 1 0 235.125 0.995 20 30 BCEDRO C[C@H](CCC#N)N1CCN(C)CC[N@H+](C)CC1 ZINC000933992338 640801519 /nfs/dbraw/zinc/80/15/19/640801519.db2.gz LVJAKFDBZLTXGS-CYBMUJFWSA-N 1 0 238.379 0.858 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@H](CCO)C1CCCC1 ZINC000934009554 640805389 /nfs/dbraw/zinc/80/53/89/640805389.db2.gz JXOGZOGLSBZDQR-VXGBXAGGSA-N 1 0 226.320 0.792 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CCO)C1CCCC1 ZINC000934006951 640806657 /nfs/dbraw/zinc/80/66/57/640806657.db2.gz UBGCWVJZLZHGJH-LBPRGKRZSA-N 1 0 240.347 0.819 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@H]1COCC[C@H]1OC ZINC000934041042 640809012 /nfs/dbraw/zinc/80/90/12/640809012.db2.gz CSEFULNGBVKYOI-IJLUTSLNSA-N 1 0 229.320 0.707 20 30 BCEDRO CC(C)(CC(N)=O)[NH2+]Cc1ccc(C#N)o1 ZINC000227057143 640812530 /nfs/dbraw/zinc/81/25/30/640812530.db2.gz FYASCDUFKICWCH-UHFFFAOYSA-N 1 0 221.260 0.895 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCSC(C)(C)CC1 ZINC000228089511 640860686 /nfs/dbraw/zinc/86/06/86/640860686.db2.gz XCSIJULHQPTUCU-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO C#CCCN1CC(NC(=O)[C@@H]2CCCC[N@H+]2C)C1 ZINC001030532273 640900457 /nfs/dbraw/zinc/90/04/57/640900457.db2.gz KJZVXJFFRITFKC-ZDUSSCGKSA-N 1 0 249.358 0.294 20 30 BCEDRO CC(=O)NCCCNC(=[NH2+])N1CCC[C@@H](C)C1 ZINC000170904949 640935819 /nfs/dbraw/zinc/93/58/19/640935819.db2.gz FGZLNSKCNIBFMP-SNVBAGLBSA-N 1 0 240.351 0.559 20 30 BCEDRO COc1ccc(CNC(=[NH2+])N(C)C)cn1 ZINC000170909539 640937145 /nfs/dbraw/zinc/93/71/45/640937145.db2.gz OYNKIFSXRUGCIF-UHFFFAOYSA-N 1 0 208.265 0.467 20 30 BCEDRO C#Cc1cccc(NC(=O)CNC(=[NH2+])N(C)C)c1 ZINC000170908521 640937368 /nfs/dbraw/zinc/93/73/68/640937368.db2.gz KBVJDFOPQROZSO-UHFFFAOYSA-N 1 0 244.298 0.483 20 30 BCEDRO COCCCCNC(=[NH2+])N[C@@H](C)COC ZINC000170913848 640938195 /nfs/dbraw/zinc/93/81/95/640938195.db2.gz BFZXRUVGJPCITJ-VIFPVBQESA-N 1 0 217.313 0.352 20 30 BCEDRO C#CCCCC[NH2+]CCS(=O)(=O)CC ZINC000229687713 640971596 /nfs/dbraw/zinc/97/15/96/640971596.db2.gz WYVPNUUWUZXCKF-UHFFFAOYSA-N 1 0 217.334 0.814 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CCCOC1)NC1CC1 ZINC000171411036 640973350 /nfs/dbraw/zinc/97/33/50/640973350.db2.gz UVQIPFFVQKDLQS-VIFPVBQESA-N 1 0 211.309 0.740 20 30 BCEDRO N#C[C@@H]1CN(CC[NH+]2CCCC2)CCO1 ZINC000230069563 641012920 /nfs/dbraw/zinc/01/29/20/641012920.db2.gz HYOQKHRSPAZNFV-LLVKDONJSA-N 1 0 209.293 0.307 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@H]1CC[C@@H]1OC ZINC000934107368 641070728 /nfs/dbraw/zinc/07/07/28/641070728.db2.gz HWPYMECQWLDKKV-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)[C@@H]1CC[C@H]1OC ZINC000934128295 641085552 /nfs/dbraw/zinc/08/55/52/641085552.db2.gz RGDPDPLJQVQJHT-HBNTYKKESA-N 1 0 226.320 0.786 20 30 BCEDRO C=C(C)CC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934222563 641105045 /nfs/dbraw/zinc/10/50/45/641105045.db2.gz NCNNRYJABWTXJE-LBPRGKRZSA-N 1 0 236.319 0.683 20 30 BCEDRO C=CCC[NH2+][C@@](C)(Cn1cccn1)C(N)=O ZINC000934221202 641105424 /nfs/dbraw/zinc/10/54/24/641105424.db2.gz XXJIAOKFOWUUNL-NSHDSACASA-N 1 0 222.292 0.293 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)Cc1cccnc1 ZINC000934237852 641111036 /nfs/dbraw/zinc/11/10/36/641111036.db2.gz AWUNROQYWSBBSH-NSHDSACASA-N 1 0 231.299 0.352 20 30 BCEDRO C[C@H](Cc1cccnc1)[NH2+]CC(=O)NCCC#N ZINC000934239045 641111508 /nfs/dbraw/zinc/11/15/08/641111508.db2.gz IWZHVAJYZLFWGL-LLVKDONJSA-N 1 0 246.314 0.632 20 30 BCEDRO C#CC1(O)CN(CCC[NH+](CC)CC)C1 ZINC000934449403 641147056 /nfs/dbraw/zinc/14/70/56/641147056.db2.gz WIGIBODTEKRDMT-UHFFFAOYSA-N 1 0 210.321 0.398 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1(OC)CCOCC1 ZINC000160620211 641153297 /nfs/dbraw/zinc/15/32/97/641153297.db2.gz IUJVDQVWWWSZRL-UHFFFAOYSA-N 1 0 241.335 0.662 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1[C@H]1CCN(OC)C1=O ZINC000934461459 641153624 /nfs/dbraw/zinc/15/36/24/641153624.db2.gz NGEIUQJWYRENHJ-UWVGGRQHSA-N 1 0 210.277 0.799 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1CCC(=O)NC(N)=O ZINC000934509922 641175488 /nfs/dbraw/zinc/17/54/88/641175488.db2.gz SCVKGGLCCAQPDZ-SECBINFHSA-N 1 0 223.276 0.059 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC000971126407 641179233 /nfs/dbraw/zinc/17/92/33/641179233.db2.gz UCPSZVAPSAFRNP-JTQLQIEISA-N 1 0 232.287 0.189 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1C[C@@H](O)CC(=O)OCC ZINC000934515516 641183534 /nfs/dbraw/zinc/18/35/34/641183534.db2.gz MRSDZPLNGYSISZ-NEPJUHHUSA-N 1 0 239.315 0.788 20 30 BCEDRO C#C[C@@H]1CCCC[N@H+]1C[C@H](O)CC(C)(C)O ZINC000934519387 641186053 /nfs/dbraw/zinc/18/60/53/641186053.db2.gz QWSMKFGNUZPJIH-VXGBXAGGSA-N 1 0 225.332 0.996 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)C(F)F)C1 ZINC001021757842 641201717 /nfs/dbraw/zinc/20/17/17/641201717.db2.gz CMHQVFLFYMMJJJ-KNVOCYPGSA-N 1 0 204.220 0.674 20 30 BCEDRO C=CCCOCC[NH2+][C@H](C)C[C@H]1COCCN1 ZINC000231798798 641207075 /nfs/dbraw/zinc/20/70/75/641207075.db2.gz WTMPRRWPBRVKCL-OLZOCXBDSA-N 1 0 242.363 0.936 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@H](O)[C@@H](F)C1 ZINC000934578618 641207929 /nfs/dbraw/zinc/20/79/29/641207929.db2.gz UZUIHKYNRQMZDF-DCAQKATOSA-N 1 0 217.284 0.718 20 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C=CCCN1CC(NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC001031385097 642050047 /nfs/dbraw/zinc/05/00/47/642050047.db2.gz ULIFQTFJZGQKSY-LLVKDONJSA-N 1 0 237.347 0.315 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC001031532092 642277429 /nfs/dbraw/zinc/27/74/29/642277429.db2.gz MCKREBJHNKXLOY-LBPRGKRZSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cn[nH]c2)C1 ZINC001031560524 642304439 /nfs/dbraw/zinc/30/44/39/642304439.db2.gz PDZQLPSWFXPRHZ-UHFFFAOYSA-N 1 0 220.276 0.257 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cc(C)n[nH]2)C1 ZINC001031563356 642307304 /nfs/dbraw/zinc/30/73/04/642307304.db2.gz HBOKSHAEATYMLP-UHFFFAOYSA-N 1 0 234.303 0.566 20 30 BCEDRO C[NH+](C)CCOCCNc1ccnc(C#N)c1 ZINC000234273338 642310964 /nfs/dbraw/zinc/31/09/64/642310964.db2.gz CUQPPUXVPHKQDF-UHFFFAOYSA-N 1 0 234.303 0.943 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)[C@@H]2CCOC2)C1 ZINC001031570493 642321497 /nfs/dbraw/zinc/32/14/97/642321497.db2.gz CCAAJIALCUXRSV-GFCCVEGCSA-N 1 0 238.331 0.647 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cscn2)C1 ZINC000971190802 642321869 /nfs/dbraw/zinc/32/18/69/642321869.db2.gz JAPMJDJRZDNLOT-JTQLQIEISA-N 1 0 249.339 0.923 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)C2=COCCC2)C1 ZINC000971195532 642323013 /nfs/dbraw/zinc/32/30/13/642323013.db2.gz TXYCJWBMCANETL-CYBMUJFWSA-N 1 0 248.326 0.847 20 30 BCEDRO CCCCNC(=[NH2+])NCC1(CO)CCOCC1 ZINC000160770789 642327039 /nfs/dbraw/zinc/32/70/39/642327039.db2.gz JEGALHWOHAMAAJ-UHFFFAOYSA-N 1 0 243.351 0.480 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccco2)C1 ZINC001021781243 642328456 /nfs/dbraw/zinc/32/84/56/642328456.db2.gz QDPFKDNXPUOPDB-AOOOYVTPSA-N 1 0 218.256 0.763 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2cnc(C)[nH]2)C1 ZINC001031583959 642336406 /nfs/dbraw/zinc/33/64/06/642336406.db2.gz NYMGYBCDSNLQTP-UHFFFAOYSA-N 1 0 246.314 0.403 20 30 BCEDRO CON1CC[NH+]([C@H]2CC[C@@H](C#N)C2)CC1 ZINC000846971794 642344396 /nfs/dbraw/zinc/34/43/96/642344396.db2.gz OLVBWCZXYUFNLZ-MNOVXSKESA-N 1 0 209.293 0.858 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1[NH2+]CC1(C)C ZINC000306945219 642355465 /nfs/dbraw/zinc/35/54/65/642355465.db2.gz KGVVRXOEMRAWBL-ZETCQYMHSA-N 1 0 202.685 0.853 20 30 BCEDRO C[C@@H](C#N)CN(C[C@H](O)C1(O)CCC1)C1CC1 ZINC000930086493 642362962 /nfs/dbraw/zinc/36/29/62/642362962.db2.gz LOZLWLODEZIXCL-JQWIXIFHSA-N 1 0 238.331 0.886 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC001031618704 642393180 /nfs/dbraw/zinc/39/31/80/642393180.db2.gz CJDNNCCMCSCHKS-UHFFFAOYSA-N 1 0 244.298 0.734 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(OCCO)CC1 ZINC000930098841 642393826 /nfs/dbraw/zinc/39/38/26/642393826.db2.gz JPMSKNOGKDECJF-GFCCVEGCSA-N 1 0 229.320 0.397 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C2=CCOCC2)C1 ZINC000971389688 642396393 /nfs/dbraw/zinc/39/63/93/642396393.db2.gz UKJGQGGRLIBLRH-ZDUSSCGKSA-N 1 0 248.326 0.499 20 30 BCEDRO C#CCN1CC(CNC(=O)c2coc(CC)n2)C1 ZINC001031624057 642399658 /nfs/dbraw/zinc/39/96/58/642399658.db2.gz QZJPJYWMVSZMCA-UHFFFAOYSA-N 1 0 247.298 0.532 20 30 BCEDRO C#CC1(F)CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000919961144 642411913 /nfs/dbraw/zinc/41/19/13/642411913.db2.gz JHVYUHNCMAVMKY-UHFFFAOYSA-N 1 0 222.263 0.266 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000847026499 642414772 /nfs/dbraw/zinc/41/47/72/642414772.db2.gz ZPYPFSAHXIYFPL-SNVBAGLBSA-N 1 0 237.303 0.307 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ccnn2CC)C1 ZINC001031631365 642415272 /nfs/dbraw/zinc/41/52/72/642415272.db2.gz NSNMOGBJWOXMGF-UHFFFAOYSA-N 1 0 248.330 0.751 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cncs2)C1 ZINC001021872417 642416335 /nfs/dbraw/zinc/41/63/35/642416335.db2.gz FVCSYVQWHVGLJU-DTORHVGOSA-N 1 0 235.312 0.627 20 30 BCEDRO CC(C)C[C@H]1C[N@H+](C)CCN1C[C@H](O)CC#N ZINC000933252495 642420040 /nfs/dbraw/zinc/42/00/40/642420040.db2.gz WXENRLBFSPTPEE-QWHCGFSZSA-N 1 0 239.363 0.923 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccnn2C)C1 ZINC001021885071 642433372 /nfs/dbraw/zinc/43/33/72/642433372.db2.gz WYYCZQSSLZOTNQ-AOOOYVTPSA-N 1 0 234.303 0.457 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnc(C)s2)C1 ZINC001021884130 642433790 /nfs/dbraw/zinc/43/37/90/642433790.db2.gz AVFCMBKYARMEOJ-AOOOYVTPSA-N 1 0 249.339 0.935 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2cscn2)C1 ZINC001021888283 642436429 /nfs/dbraw/zinc/43/64/29/642436429.db2.gz FZNBTJUYOLBJLQ-DTORHVGOSA-N 1 0 235.312 0.627 20 30 BCEDRO COc1cccc(C=NNC(N)=[NH2+])c1O ZINC000254815406 642442263 /nfs/dbraw/zinc/44/22/63/642442263.db2.gz SSPNEGQQRQBDIU-UHFFFAOYSA-N 1 0 208.221 0.218 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cc(C)on2)C1 ZINC001021907514 642453725 /nfs/dbraw/zinc/45/37/25/642453725.db2.gz NSENHOWJGCUPGJ-PHIMTYICSA-N 1 0 249.314 0.948 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001021933049 642461588 /nfs/dbraw/zinc/46/15/88/642461588.db2.gz QDQRVCBJHGCTDS-AOOOYVTPSA-N 1 0 247.298 0.824 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC000971435210 642463993 /nfs/dbraw/zinc/46/39/93/642463993.db2.gz FIMIMHBKVOSWLL-LLVKDONJSA-N 1 0 240.347 0.866 20 30 BCEDRO Cc1nc(C#N)cc(N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)n1 ZINC000308189019 642481616 /nfs/dbraw/zinc/48/16/16/642481616.db2.gz LWXNQYDMKVSFOU-PJXYFTJBSA-N 1 0 243.314 0.653 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2ncc[nH]2)C1 ZINC001031656669 642483707 /nfs/dbraw/zinc/48/37/07/642483707.db2.gz GDTKAAMGDJHOGI-UHFFFAOYSA-N 1 0 234.303 0.647 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]([NH3+])CC1CC1 ZINC000308189983 642489649 /nfs/dbraw/zinc/48/96/49/642489649.db2.gz MWQDAJDLPBYPCH-QMMMGPOBSA-N 1 0 202.685 0.983 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnn(C)c2N)C1 ZINC001021996344 642491629 /nfs/dbraw/zinc/49/16/29/642491629.db2.gz CWEGWBZSEDDFDS-DTORHVGOSA-N 1 0 249.318 0.039 20 30 BCEDRO CCCCCCC[NH+]1C[C@H](O)[C@@H](O)C1 ZINC000232953038 642637627 /nfs/dbraw/zinc/63/76/27/642637627.db2.gz XZMLNXWJIHOCHE-QWRGUYRKSA-N 1 0 201.310 0.994 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)N(C)CC)CC1 ZINC000921436967 642623608 /nfs/dbraw/zinc/62/36/08/642623608.db2.gz IWJMEPPNHDKJIY-UHFFFAOYSA-N 1 0 223.320 0.745 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NC[C@@H]1CCCS1(=O)=O ZINC000305076919 642637060 /nfs/dbraw/zinc/63/70/60/642637060.db2.gz OGVGEHCUWZKLQL-IUCAKERBSA-N 1 0 247.364 0.266 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NC[C@H]1CCCS1(=O)=O ZINC000305076918 642638055 /nfs/dbraw/zinc/63/80/55/642638055.db2.gz OGVGEHCUWZKLQL-DTWKUNHWSA-N 1 0 247.364 0.266 20 30 BCEDRO CC(C)(CNC(=[NH2+])N1CCCCCC1)C(N)=O ZINC000305091901 642640085 /nfs/dbraw/zinc/64/00/85/642640085.db2.gz XFITTWXQVHXXSF-UHFFFAOYSA-N 1 0 240.351 0.689 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C ZINC000961471279 642690216 /nfs/dbraw/zinc/69/02/16/642690216.db2.gz QYGVGDSGBDDLQB-KVSVUVNWSA-N 1 0 232.327 0.712 20 30 BCEDRO CC[C@H](CO)NC(=[NH2+])NCCC(C)C ZINC000305769293 642692691 /nfs/dbraw/zinc/69/26/91/642692691.db2.gz JBYZEQKUHUYQJS-SECBINFHSA-N 1 0 201.314 0.708 20 30 BCEDRO CC[C@H](CO)NC(=[NH2+])N1CCC(C)CC1 ZINC000305778425 642693401 /nfs/dbraw/zinc/69/34/01/642693401.db2.gz QQSJVCASNOQPPS-SNVBAGLBSA-N 1 0 213.325 0.804 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]2C[C@H]2C1 ZINC000961565680 642697357 /nfs/dbraw/zinc/69/73/57/642697357.db2.gz FYSMPPYPYLFRTB-ALUZDYTJSA-N 1 0 244.338 0.712 20 30 BCEDRO CC(C)C(=O)NCCNC(=[NH2+])N(C)C1CC1 ZINC000305804106 642699921 /nfs/dbraw/zinc/69/99/21/642699921.db2.gz FSLCALXPESJOHV-UHFFFAOYSA-N 1 0 226.324 0.168 20 30 BCEDRO CNC(NCCCCOC(C)C)=[NH+]C ZINC000305804666 642702226 /nfs/dbraw/zinc/70/22/26/642702226.db2.gz FWZYBFAVSYLIJS-UHFFFAOYSA-N 1 0 201.314 0.986 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCC1(C)OCCO1 ZINC000305823039 642703948 /nfs/dbraw/zinc/70/39/48/642703948.db2.gz PSKLOOVHSPKSKT-UHFFFAOYSA-N 1 0 229.324 0.796 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@H]1C1CC1 ZINC000961999517 642711459 /nfs/dbraw/zinc/71/14/59/642711459.db2.gz GIMPFKKQHCVXGM-MEBFFEOJSA-N 1 0 244.338 0.712 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](CC(N)=O)C1CCCC1 ZINC000305954410 642713232 /nfs/dbraw/zinc/71/32/32/642713232.db2.gz APPRAZYMHPTXPU-JTQLQIEISA-N 1 0 239.319 0.645 20 30 BCEDRO C#CC[NH2+]C1CCC(N(C)C(C)=O)CC1 ZINC000962943734 642737163 /nfs/dbraw/zinc/73/71/63/642737163.db2.gz XWKDMRQVRDPPPP-UHFFFAOYSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[NH2+]C1CC2(CC(NC(=O)C(F)F)C2)C1 ZINC000963450868 642744968 /nfs/dbraw/zinc/74/49/68/642744968.db2.gz FDSMPEMCURFGNU-UHFFFAOYSA-N 1 0 242.269 0.902 20 30 BCEDRO C=CCCS(=O)(=O)NC1CCC([NH3+])CC1 ZINC000237784106 642746423 /nfs/dbraw/zinc/74/64/23/642746423.db2.gz XIZHFYALXVUNIM-UHFFFAOYSA-N 1 0 232.349 0.752 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnc(C)cn2)C1 ZINC000966582116 642788726 /nfs/dbraw/zinc/78/87/26/642788726.db2.gz JBHVNOFVJWTPBW-LLVKDONJSA-N 1 0 244.298 0.222 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccc(C)n2)C1 ZINC000967114254 642794836 /nfs/dbraw/zinc/79/48/36/642794836.db2.gz QDRFNZWKJJXVQL-GFCCVEGCSA-N 1 0 243.310 0.827 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2C)C1 ZINC000967192322 642796514 /nfs/dbraw/zinc/79/65/14/642796514.db2.gz 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ZINC000968602433 642816243 /nfs/dbraw/zinc/81/62/43/642816243.db2.gz KJKCPSQQCSKDIU-RKDXNWHRSA-N 1 0 228.242 0.465 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2(C(F)F)CC2)C1 ZINC000968659537 642817479 /nfs/dbraw/zinc/81/74/79/642817479.db2.gz GPYIWVVNQNUFNN-SECBINFHSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001009573514 642835973 /nfs/dbraw/zinc/83/59/73/642835973.db2.gz SFFNHLVKBDVWET-ZDUSSCGKSA-N 1 0 245.326 0.771 20 30 BCEDRO C=CCN1CCC[C@@H](NC(=O)c2cccnn2)C1 ZINC001008959432 642836141 /nfs/dbraw/zinc/83/61/41/642836141.db2.gz FLHQHIRLNSASFK-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)C2CC2)C1 ZINC001009831223 642841794 /nfs/dbraw/zinc/84/17/94/642841794.db2.gz KSSAEADZLVTZEY-LLVKDONJSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)c2cnccn2)C1 ZINC001009965627 642848057 /nfs/dbraw/zinc/84/80/57/642848057.db2.gz AGZYMBLFHZIOJL-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCCO2)C1 ZINC001010251902 642854399 /nfs/dbraw/zinc/85/43/99/642854399.db2.gz VDGXQDZEQZXEKE-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cn2cccn2)C1 ZINC001010195125 642855617 /nfs/dbraw/zinc/85/56/17/642855617.db2.gz ONDPFQWFMOLYDP-GFCCVEGCSA-N 1 0 248.330 0.650 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2ccnnc2)C[C@@H]1C ZINC000939188493 642856154 /nfs/dbraw/zinc/85/61/54/642856154.db2.gz MYTAHAFKOUTQKC-CMPLNLGQSA-N 1 0 246.314 0.713 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001010304957 642856779 /nfs/dbraw/zinc/85/67/79/642856779.db2.gz VMZJRCSCVYFARE-JTQLQIEISA-N 1 0 220.276 0.400 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)[C@@H](C)n2cccn2)C1 ZINC001010285502 642858036 /nfs/dbraw/zinc/85/80/36/642858036.db2.gz KOWTWURUUPOZDE-NEPJUHHUSA-N 1 0 248.330 0.821 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010352118 642859106 /nfs/dbraw/zinc/85/91/06/642859106.db2.gz CLPKDFDWOUBGFA-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1C ZINC000939212575 642859286 /nfs/dbraw/zinc/85/92/86/642859286.db2.gz YZQINKCHQFAYKM-CMPLNLGQSA-N 1 0 248.330 0.575 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC000939212578 642859461 /nfs/dbraw/zinc/85/94/61/642859461.db2.gz YZQINKCHQFAYKM-ZYHUDNBSSA-N 1 0 248.330 0.575 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cn2cc(C)cn2)C1 ZINC001010333055 642860335 /nfs/dbraw/zinc/86/03/35/642860335.db2.gz DRURXTGSJSCRNB-GFCCVEGCSA-N 1 0 248.330 0.568 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010352122 642860814 /nfs/dbraw/zinc/86/08/14/642860814.db2.gz CLPKDFDWOUBGFA-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2ccnn2C)C1 ZINC001010350269 642860908 /nfs/dbraw/zinc/86/09/08/642860908.db2.gz UHQDUUATGQRXIR-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C=C(C)CC[NH+]1CC(CNC(=O)c2cn[nH]n2)C1 ZINC001031807768 642861279 /nfs/dbraw/zinc/86/12/79/642861279.db2.gz CQJXKRLIIOEDGI-UHFFFAOYSA-N 1 0 249.318 0.433 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010403859 642861476 /nfs/dbraw/zinc/86/14/76/642861476.db2.gz BXTPVXKJJIRIOS-GFCCVEGCSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2nc(C)c[nH]2)C[C@H]1C ZINC000939284853 642862274 /nfs/dbraw/zinc/86/22/74/642862274.db2.gz DJVMELSCPATVIG-KOLCDFICSA-N 1 0 248.330 0.954 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001010403860 642863365 /nfs/dbraw/zinc/86/33/65/642863365.db2.gz BXTPVXKJJIRIOS-LBPRGKRZSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cnon2)C[C@H]1C ZINC000939348159 642864771 /nfs/dbraw/zinc/86/47/71/642864771.db2.gz KTORCJRBNLOXPR-PSASIEDQSA-N 1 0 236.275 0.306 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001010457790 642865475 /nfs/dbraw/zinc/86/54/75/642865475.db2.gz SGEGTPFZEWYKTK-SNVBAGLBSA-N 1 0 247.298 0.777 20 30 BCEDRO C#CC[N@H+]1CC[C@H](NC(=O)C=C2CCC2)C1 ZINC001010513238 642868200 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CC#CC[N@@H+]1CC[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001015522715 642904470 /nfs/dbraw/zinc/90/44/70/642904470.db2.gz LUJASTRCNDZHKA-GRYCIOLGSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2c(C)cnn2C)C1 ZINC001015560319 642905345 /nfs/dbraw/zinc/90/53/45/642905345.db2.gz UPSYZGWWHGJMOH-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)[C@H]2OCC[C@H]2C)C1 ZINC001015722774 642926524 /nfs/dbraw/zinc/92/65/24/642926524.db2.gz DKIJEAUHDHLNDM-WOPDTQHZSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2ccnnc2)C1 ZINC001015750824 642930402 /nfs/dbraw/zinc/93/04/02/642930402.db2.gz PIAVFRCLPUZHKU-GFCCVEGCSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccnnc2)C1 ZINC001015747888 642930570 /nfs/dbraw/zinc/93/05/70/642930570.db2.gz WZURULBDJQSXGA-NSHDSACASA-N 1 0 232.287 0.467 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001015819401 642931966 /nfs/dbraw/zinc/93/19/66/642931966.db2.gz HDIREZWHBZDKFZ-JTQLQIEISA-N 1 0 234.303 0.708 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2nnc[nH]2)C1 ZINC001015871079 642933626 /nfs/dbraw/zinc/93/36/26/642933626.db2.gz GXRUTTVXTIFIJF-SECBINFHSA-N 1 0 235.291 0.185 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001015871080 642934724 /nfs/dbraw/zinc/93/47/24/642934724.db2.gz GXRUTTVXTIFIJF-VIFPVBQESA-N 1 0 235.291 0.185 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2ncccn2)C1 ZINC001015886150 642938753 /nfs/dbraw/zinc/93/87/53/642938753.db2.gz YAFBAGDRJNIBNJ-JTQLQIEISA-N 1 0 232.287 0.467 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015904341 642940652 /nfs/dbraw/zinc/94/06/52/642940652.db2.gz BNRLAVWXLFZHGD-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001015906938 642941930 /nfs/dbraw/zinc/94/19/30/642941930.db2.gz FRHNLEWKAVGYEL-WCQYABFASA-N 1 0 238.331 0.790 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2ncc[nH]2)C1 ZINC001015906528 642943247 /nfs/dbraw/zinc/94/32/47/642943247.db2.gz ZPRGBNFGRFPPMU-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cn(CC)cn2)C1 ZINC001016004193 642947924 /nfs/dbraw/zinc/94/79/24/642947924.db2.gz ARVMPUJUXHAARL-LLVKDONJSA-N 1 0 248.330 0.893 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2ccc[nH]2)C1 ZINC001016315276 642952602 /nfs/dbraw/zinc/95/26/02/642952602.db2.gz QEQCAGJYWRJYFM-GFCCVEGCSA-N 1 0 233.315 0.934 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001016247176 642954926 /nfs/dbraw/zinc/95/49/26/642954926.db2.gz TXSPFRGAVVPXDO-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccnc(C)n2)C1 ZINC001016285203 642955985 /nfs/dbraw/zinc/95/59/85/642955985.db2.gz XLJXFGVIIYYSRX-LLVKDONJSA-N 1 0 246.314 0.775 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000925337850 642958973 /nfs/dbraw/zinc/95/89/73/642958973.db2.gz YFHVNTHNVDGVSA-ZJUUUORDSA-N 1 0 209.293 0.354 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)C2CCOCC2)C1 ZINC001018397082 642990126 /nfs/dbraw/zinc/99/01/26/642990126.db2.gz LCWBHHSRTWXMTA-LBPRGKRZSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCO2)C1 ZINC001018469570 642993004 /nfs/dbraw/zinc/99/30/04/642993004.db2.gz XDLMZCRIEOVAAY-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)C1 ZINC001018545109 642996178 /nfs/dbraw/zinc/99/61/78/642996178.db2.gz UVJFIIMBCVJUIV-VIFPVBQESA-N 1 0 220.276 0.400 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2[nH]nnc2C)C1 ZINC001031891025 642996184 /nfs/dbraw/zinc/99/61/84/642996184.db2.gz VGCMOTRIACRCJE-UHFFFAOYSA-N 1 0 249.318 0.351 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)SC)C1 ZINC001018538738 642996917 /nfs/dbraw/zinc/99/69/17/642996917.db2.gz BAVGKTMQUUKKEY-UWVGGRQHSA-N 1 0 226.345 0.562 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H](C)n2cccn2)C1 ZINC001018538771 642998216 /nfs/dbraw/zinc/99/82/16/642998216.db2.gz CDVYRTQXGHANNT-RYUDHWBXSA-N 1 0 248.330 0.821 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ncoc2C)C1 ZINC001018595607 643000478 /nfs/dbraw/zinc/00/04/78/643000478.db2.gz IYJZKDZVTNTRDI-JTQLQIEISA-N 1 0 235.287 0.973 20 30 BCEDRO CC(C)[NH2+][C@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC001018618821 643004273 /nfs/dbraw/zinc/00/42/73/643004273.db2.gz QLYKYVNPYFWXAA-ZJUUUORDSA-N 1 0 209.293 0.745 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC001018727261 643007780 /nfs/dbraw/zinc/00/77/80/643007780.db2.gz ANAOSHGVBSCSBY-OLZOCXBDSA-N 1 0 245.326 0.873 20 30 BCEDRO CC[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC001018732073 643008971 /nfs/dbraw/zinc/00/89/71/643008971.db2.gz PLYNXWSHVYLXJP-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2ccnn2C)C1 ZINC001018777641 643011154 /nfs/dbraw/zinc/01/11/54/643011154.db2.gz PYTFATUEYXCVRB-NSHDSACASA-N 1 0 248.330 0.339 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nn(C)cc2C)C1 ZINC001018829387 643012657 /nfs/dbraw/zinc/01/26/57/643012657.db2.gz BWXSDKCPVCNVKU-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC001019225085 643022638 /nfs/dbraw/zinc/02/26/38/643022638.db2.gz OAHKDUPPLNWMQT-VIFPVBQESA-N 1 0 235.291 0.103 20 30 BCEDRO C=CC(C)(C)C(=O)N1CC[C@H]([NH2+]C[C@H](C)O)C1 ZINC001019237926 643023217 /nfs/dbraw/zinc/02/32/17/643023217.db2.gz DKTZLKYJFWRUHY-QWRGUYRKSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2conc2C)C1 ZINC001019318183 643028797 /nfs/dbraw/zinc/02/87/97/643028797.db2.gz OCJLYDHKDHHYRT-JTQLQIEISA-N 1 0 235.287 0.973 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccn(C)c2C)C1 ZINC001019344588 643029937 /nfs/dbraw/zinc/02/99/37/643029937.db2.gz AUMHDLQCMANTSD-LBPRGKRZSA-N 1 0 245.326 0.771 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CC23CC3)C1 ZINC001019430485 643033699 /nfs/dbraw/zinc/03/36/99/643033699.db2.gz LPTUKDGRUDSIDY-QWRGUYRKSA-N 1 0 218.300 0.610 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCc2cn[nH]n2)C1 ZINC001019404230 643033816 /nfs/dbraw/zinc/03/38/16/643033816.db2.gz CBBOOYJJLRLOQB-NSHDSACASA-N 1 0 249.318 0.114 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnon2)C1 ZINC001019543631 643035953 /nfs/dbraw/zinc/03/59/53/643035953.db2.gz RGABXBIXEMFIEA-QMMMGPOBSA-N 1 0 222.248 0.060 20 30 BCEDRO COCCNC(=[NH2+])NCCc1cccc(C)n1 ZINC000280008201 643040600 /nfs/dbraw/zinc/04/06/00/643040600.db2.gz NJSFWTGCEJWCCU-UHFFFAOYSA-N 1 0 236.319 0.483 20 30 BCEDRO C#Cc1ccc(C(=O)N2CC[C@H]([NH2+]CC)C2)nc1 ZINC001019677181 643041470 /nfs/dbraw/zinc/04/14/70/643041470.db2.gz VPROHZJTBPWABI-LBPRGKRZSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(C)n2)C1 ZINC001019987079 643050864 /nfs/dbraw/zinc/05/08/64/643050864.db2.gz LNUWPIBHAPXYIN-HAQNSBGRSA-N 1 0 243.310 0.874 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cc(C)nn2C)C1 ZINC001020010321 643051527 /nfs/dbraw/zinc/05/15/27/643051527.db2.gz HWORTQWTUMNOAF-XYPYZODXSA-N 1 0 248.330 0.765 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001020038090 643052172 /nfs/dbraw/zinc/05/21/72/643052172.db2.gz IHRVDCIBPKYGCS-SRVKXCTJSA-N 1 0 236.315 0.283 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCOC2)C1 ZINC001020038501 643052523 /nfs/dbraw/zinc/05/25/23/643052523.db2.gz VTOPBQKFWYZQSF-SRVKXCTJSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cc[nH]n2)C1 ZINC001020039211 643052696 /nfs/dbraw/zinc/05/26/96/643052696.db2.gz QAWNRGSSNXANPL-XYPYZODXSA-N 1 0 234.303 0.375 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2nccn2CC)C1 ZINC001020112280 643057462 /nfs/dbraw/zinc/05/74/62/643057462.db2.gz FIXJWDDJSGQJOV-XYPYZODXSA-N 1 0 248.330 0.939 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2coc(C)n2)C1 ZINC001020099924 643057614 /nfs/dbraw/zinc/05/76/14/643057614.db2.gz DOFXBAREXRSWDY-MGCOHNPYSA-N 1 0 233.271 0.467 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001020234937 643063773 /nfs/dbraw/zinc/06/37/73/643063773.db2.gz NXWNOHVKFNPZMR-XYPYZODXSA-N 1 0 249.314 0.948 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cnc(C)o2)C1 ZINC001020234939 643063952 /nfs/dbraw/zinc/06/39/52/643063952.db2.gz OEWMCIDUVIBPTQ-XYPYZODXSA-N 1 0 247.298 0.396 20 30 BCEDRO C=C(Cl)CN(C)CCN1CC[NH2+]CC1 ZINC000070800516 643070959 /nfs/dbraw/zinc/07/09/59/643070959.db2.gz FVPJNZBVYNJRCK-UHFFFAOYSA-N 1 0 217.744 0.576 20 30 BCEDRO Cc1cn2c(C=NNC(N)=[NH2+])c(C)nc2s1 ZINC000252453693 643077595 /nfs/dbraw/zinc/07/75/95/643077595.db2.gz RPGLLRSCFBPLOD-UHFFFAOYSA-N 1 0 236.304 0.830 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cn2cncc2C)C1 ZINC001020397138 643082515 /nfs/dbraw/zinc/08/25/15/643082515.db2.gz SVUQMMUOVYRYMC-HAQNSBGRSA-N 1 0 246.314 0.062 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)C(F)F)[C@@H](C)C1 ZINC000941703621 643115259 /nfs/dbraw/zinc/11/52/59/643115259.db2.gz BLWZEPKZNSRWCB-DTWKUNHWSA-N 1 0 230.258 0.711 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cnccn2)C1 ZINC000969229826 643115583 /nfs/dbraw/zinc/11/55/83/643115583.db2.gz BTJPCCXGWZAMPP-SNVBAGLBSA-N 1 0 246.314 0.713 20 30 BCEDRO C=CCN(CC=C)S(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000049631708 643118484 /nfs/dbraw/zinc/11/84/84/643118484.db2.gz LVENSKOCWSDFBP-NSHDSACASA-N 1 0 244.360 0.742 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCc2ccon2)C1 ZINC000969328305 643146252 /nfs/dbraw/zinc/14/62/52/643146252.db2.gz VWWVLUHHNSOQPY-GFCCVEGCSA-N 1 0 249.314 0.984 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2cocn2)[C@H](C)C1 ZINC000941884540 643148010 /nfs/dbraw/zinc/14/80/10/643148010.db2.gz HHPWMWIRWHWPRU-GHMZBOCLSA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@H](C)C1 ZINC000941851290 643148886 /nfs/dbraw/zinc/14/88/86/643148886.db2.gz SXPMLGKPDHFDCF-GHMZBOCLSA-N 1 0 247.298 0.748 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@@H]2CCOC2)C1 ZINC000969365281 643152097 /nfs/dbraw/zinc/15/20/97/643152097.db2.gz HYNPXXZUCADSDU-GHMZBOCLSA-N 1 0 238.331 0.645 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)[C@H]2CCOC2)C1 ZINC000969365282 643152855 /nfs/dbraw/zinc/15/28/55/643152855.db2.gz HYNPXXZUCADSDU-MNOVXSKESA-N 1 0 238.331 0.645 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2ccnn2C)C1 ZINC000969385172 643160142 /nfs/dbraw/zinc/16/01/42/643160142.db2.gz NGVBSFWTCYLWLB-JTQLQIEISA-N 1 0 248.330 0.656 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC000942216067 643175097 /nfs/dbraw/zinc/17/50/97/643175097.db2.gz IRSXVVJPMIQCOO-VHSXEESVSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2C[C@H]2C)C1 ZINC001020549368 643181311 /nfs/dbraw/zinc/18/13/11/643181311.db2.gz VKXZEYDUVRJWBZ-WRWGMCAJSA-N 1 0 220.316 0.903 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2c[nH]nc2C)C1 ZINC000969534027 643187106 /nfs/dbraw/zinc/18/71/06/643187106.db2.gz PMFANNKWVFDYQM-SNVBAGLBSA-N 1 0 232.287 0.155 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC000969545736 643188997 /nfs/dbraw/zinc/18/89/97/643188997.db2.gz HNTIYWVYZJHBMB-SNVBAGLBSA-N 1 0 249.318 0.493 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ccn(CC)n2)C1 ZINC001032027159 643197423 /nfs/dbraw/zinc/19/74/23/643197423.db2.gz PHNVTGDACMBGNV-UHFFFAOYSA-N 1 0 248.330 0.751 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](F)CC)C1 ZINC000969595497 643197793 /nfs/dbraw/zinc/19/77/93/643197793.db2.gz AAXWNJHMNYJIFS-ZJUUUORDSA-N 1 0 212.268 0.558 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cnnn2C)C1 ZINC000969599034 643198658 /nfs/dbraw/zinc/19/86/58/643198658.db2.gz JQAQLNBZKNZFKN-SECBINFHSA-N 1 0 249.318 0.051 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cnn(C)n2)C1 ZINC001032048718 643213434 /nfs/dbraw/zinc/21/34/34/643213434.db2.gz HQRSHQCTWFYLNZ-UHFFFAOYSA-N 1 0 249.318 0.053 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2ccncn2)C1 ZINC001032060000 643219685 /nfs/dbraw/zinc/21/96/85/643219685.db2.gz DDVDSSKYEIIXRE-UHFFFAOYSA-N 1 0 246.314 0.714 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cnon2)C1 ZINC001032062447 643222003 /nfs/dbraw/zinc/22/20/03/643222003.db2.gz CTFXGVGQTQXIBU-UHFFFAOYSA-N 1 0 236.275 0.307 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cn2ccc(C)n2)C1 ZINC001020601266 643227816 /nfs/dbraw/zinc/22/78/16/643227816.db2.gz QZTPAVLNHCTPNL-HAQNSBGRSA-N 1 0 248.330 0.614 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2occc2C)C1 ZINC000969878459 643241225 /nfs/dbraw/zinc/24/12/25/643241225.db2.gz OCFYVKXQDNOIJD-GFCCVEGCSA-N 1 0 246.310 0.954 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cn[nH]n2)C1 ZINC000970023620 643269256 /nfs/dbraw/zinc/26/92/56/643269256.db2.gz JJFLNIJIISSBGD-QMMMGPOBSA-N 1 0 235.291 0.041 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2[nH]cnc2CC)C1 ZINC001032158171 643275180 /nfs/dbraw/zinc/27/51/80/643275180.db2.gz IBHKTDPNCYGJGH-UHFFFAOYSA-N 1 0 248.330 0.820 20 30 BCEDRO CC#CCN1CC(CNC(=O)[C@@H]2CC[N@H+](C)C2)C1 ZINC001032186539 643282789 /nfs/dbraw/zinc/28/27/89/643282789.db2.gz QNMCTJNXCGVRLQ-CYBMUJFWSA-N 1 0 249.358 0.009 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2ccn(C)n2)C1 ZINC001032186403 643283838 /nfs/dbraw/zinc/28/38/38/643283838.db2.gz PRQAOGWZAFFBEB-UHFFFAOYSA-N 1 0 248.330 0.658 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2c(C)n[nH]c2C)C1 ZINC001020765391 643293042 /nfs/dbraw/zinc/29/30/42/643293042.db2.gz DHWGKHGDDHYXKQ-XYPYZODXSA-N 1 0 246.314 0.510 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cnon2)C1 ZINC001020786230 643294332 /nfs/dbraw/zinc/29/43/32/643294332.db2.gz UDUSTIKDOWEFPE-KYZUINATSA-N 1 0 236.275 0.496 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cnc[nH]2)C1 ZINC000970103570 643294615 /nfs/dbraw/zinc/29/46/15/643294615.db2.gz PLDMUKQBOUHGRB-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C#C[C@H](C)NC(=O)CCCCN1CCOCC1 ZINC000185363164 643301016 /nfs/dbraw/zinc/30/10/16/643301016.db2.gz ZFWROHPUJVRVRK-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@]2(C)CCOC2)C1 ZINC001020823556 643308972 /nfs/dbraw/zinc/30/89/72/643308972.db2.gz DBBBRRORUPDHIR-NQBHXWOUSA-N 1 0 236.315 0.283 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2nccc2C)C1 ZINC000970127245 643317983 /nfs/dbraw/zinc/31/79/83/643317983.db2.gz KWXCROFSBOBPKA-GFCCVEGCSA-N 1 0 248.330 0.568 20 30 BCEDRO [NH2+]=C(NCC1(CCO)CCCC1)NC1CC1 ZINC000072914249 643329156 /nfs/dbraw/zinc/32/91/56/643329156.db2.gz AKUQPKCVHMUTQV-UHFFFAOYSA-N 1 0 225.336 0.996 20 30 BCEDRO C[C@@H](C[NH3+])NS(=O)(=O)c1cccc(C#N)c1 ZINC000082578399 643348153 /nfs/dbraw/zinc/34/81/53/643348153.db2.gz HTVXAWLKEYYVSK-QMMMGPOBSA-N 1 0 239.300 0.184 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2[nH]cnc2C)C1 ZINC001032230015 643370613 /nfs/dbraw/zinc/37/06/13/643370613.db2.gz WHZAUJXDDNHJHH-UHFFFAOYSA-N 1 0 234.303 0.566 20 30 BCEDRO CS(=O)(=O)CC[NH2+][C@H]1CCC[C@@H](C#N)C1 ZINC000185799478 643389327 /nfs/dbraw/zinc/38/93/27/643389327.db2.gz INKHXPKHYCPUMO-ZJUUUORDSA-N 1 0 230.333 0.703 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccn(C)n2)C1 ZINC001021050758 643394394 /nfs/dbraw/zinc/39/43/94/643394394.db2.gz SJZLXNCIXGYSAA-MGCOHNPYSA-N 1 0 234.303 0.457 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC000970345901 643416890 /nfs/dbraw/zinc/41/68/90/643416890.db2.gz KXMVPEJUTLQLMV-YPMHNXCESA-N 1 0 238.331 0.790 20 30 BCEDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884271102 643457750 /nfs/dbraw/zinc/45/77/50/643457750.db2.gz XUBLVUXZJPRJIG-WCBMZHEXSA-N 1 0 232.287 0.614 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)OC ZINC001032302207 643472278 /nfs/dbraw/zinc/47/22/78/643472278.db2.gz UDVGRUSAMIPLDU-WOPDTQHZSA-N 1 0 236.315 0.330 20 30 BCEDRO C#CCOCCC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000160328679 643475675 /nfs/dbraw/zinc/47/56/75/643475675.db2.gz UJXFZONQNZKWGE-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2ncccn2)C1 ZINC000970623774 643486014 /nfs/dbraw/zinc/48/60/14/643486014.db2.gz ZRLICBXUODCFEU-JTQLQIEISA-N 1 0 246.314 0.713 20 30 BCEDRO C#CCC[NH+]1CC([C@H](C)NC(=O)c2cnon2)C1 ZINC000970622909 643486905 /nfs/dbraw/zinc/48/69/05/643486905.db2.gz MQZZJKFKLBPBJN-VIFPVBQESA-N 1 0 248.286 0.143 20 30 BCEDRO C#CC[N@@H+]1CC[C@H]2[C@H](CCCN2C(C)=O)C1 ZINC001021477298 643531005 /nfs/dbraw/zinc/53/10/05/643531005.db2.gz WBKFBLLIFBVROT-OLZOCXBDSA-N 1 0 220.316 0.952 20 30 BCEDRO CS(=O)(=O)CC[NH2+]CC1(CC#N)CC1 ZINC000083853856 643544259 /nfs/dbraw/zinc/54/42/59/643544259.db2.gz URNMWEPQUCWQPG-UHFFFAOYSA-N 1 0 216.306 0.314 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](OCC)C1 ZINC000084222300 643552294 /nfs/dbraw/zinc/55/22/94/643552294.db2.gz SLRHYWNVZGZOMI-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO CCNC(NCCC(=O)N[C@H](C)CC)=[NH+]CC ZINC000303255755 643577779 /nfs/dbraw/zinc/57/77/79/643577779.db2.gz GUTXTDSTFMXFBK-SNVBAGLBSA-N 1 0 242.367 0.866 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+]C1(C(N)=O)CCCC1 ZINC000305070080 643599459 /nfs/dbraw/zinc/59/94/59/643599459.db2.gz JCWOOYUXLSHIIP-SNVBAGLBSA-N 1 0 226.320 0.701 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)Cc2nnc[nH]2)CC1 ZINC000997160762 643599826 /nfs/dbraw/zinc/59/98/26/643599826.db2.gz KBMKACXGBSAKSP-UHFFFAOYSA-N 1 0 249.318 0.114 20 30 BCEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)COC)C1 ZINC000970906208 643600503 /nfs/dbraw/zinc/60/05/03/643600503.db2.gz ZOFAFSIJJGQDMP-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C2CCC2)C1 ZINC000970932799 643624715 /nfs/dbraw/zinc/62/47/15/643624715.db2.gz RVKDRZNDVNZKEY-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO CNC(NCC(C)(C)CCOC)=[NH+]C ZINC000305819714 643631345 /nfs/dbraw/zinc/63/13/45/643631345.db2.gz OBFPUPAVNLLSEP-UHFFFAOYSA-N 1 0 201.314 0.844 20 30 BCEDRO CCNC(NCC(=O)NCC1CC1)=[NH+]CC ZINC000305811521 643631948 /nfs/dbraw/zinc/63/19/48/643631948.db2.gz MLMKZGRDPJBNPI-UHFFFAOYSA-N 1 0 226.324 0.088 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)CCC)C1 ZINC000970969349 643641349 /nfs/dbraw/zinc/64/13/49/643641349.db2.gz QYYQGNORSRPHJU-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)C(C)(C)F)C1 ZINC000998353760 643701693 /nfs/dbraw/zinc/70/16/93/643701693.db2.gz JCTXZDKRXVNLTI-UHFFFAOYSA-N 1 0 226.295 0.947 20 30 BCEDRO CC[N@@H+]1CCCN(C(=O)CC#N)[C@@H](C)C1 ZINC000320390515 643710230 /nfs/dbraw/zinc/71/02/30/643710230.db2.gz TVKQEFLHACAYIF-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCOC2)C1 ZINC000998519338 643710577 /nfs/dbraw/zinc/71/05/77/643710577.db2.gz PTLHRGFGTYNQGH-VOMCLLRMSA-N 1 0 236.315 0.235 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2ocnc2C)C1 ZINC000998595593 643714119 /nfs/dbraw/zinc/71/41/19/643714119.db2.gz VTXMFGIKRMNBII-UHFFFAOYSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cc(C)n[nH]2)C1 ZINC000998664275 643716981 /nfs/dbraw/zinc/71/69/81/643716981.db2.gz DKPKSROXOSWOPX-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)C2=CCOCC2)C1 ZINC000998677145 643717707 /nfs/dbraw/zinc/71/77/07/643717707.db2.gz ZUQQVTUVTOODDT-UHFFFAOYSA-N 1 0 248.326 0.545 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2ncn(C)n2)C1 ZINC000998732328 643719775 /nfs/dbraw/zinc/71/97/75/643719775.db2.gz ANEACAJTLIVKOS-UHFFFAOYSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@H]2CC2(F)F)C1 ZINC000998732673 643719889 /nfs/dbraw/zinc/71/98/89/643719889.db2.gz CEKFKUQSPHXNKL-UDNWOFFPSA-N 1 0 242.269 0.854 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000999050692 643729173 /nfs/dbraw/zinc/72/91/73/643729173.db2.gz FPKWWPOMUSOPQW-LLVKDONJSA-N 1 0 238.331 0.361 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cnon2)C1 ZINC000999584129 643738080 /nfs/dbraw/zinc/73/80/80/643738080.db2.gz XITOGIMNLSFVQQ-UHFFFAOYSA-N 1 0 236.275 0.448 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2ccn(C)n2)C1 ZINC000999838231 643741531 /nfs/dbraw/zinc/74/15/31/643741531.db2.gz UTVPGKJRAGRJLW-UHFFFAOYSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2[nH]cnc2C)C1 ZINC000999926250 643743395 /nfs/dbraw/zinc/74/33/95/643743395.db2.gz AEFMJKUEBGDKJX-UHFFFAOYSA-N 1 0 246.314 0.544 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2n[nH]nc2C)C1 ZINC000999863190 643743569 /nfs/dbraw/zinc/74/35/69/643743569.db2.gz GYFMZINJSJVLHZ-JTQLQIEISA-N 1 0 249.318 0.493 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC000999981398 643744980 /nfs/dbraw/zinc/74/49/80/643744980.db2.gz UYEPTLRHFQHMJB-LBPRGKRZSA-N 1 0 249.314 0.984 20 30 BCEDRO N#Cc1cc(C[NH2+]C(CO)CO)cs1 ZINC000921786677 643785379 /nfs/dbraw/zinc/78/53/79/643785379.db2.gz JLAMEXUVNHDJAK-UHFFFAOYSA-N 1 0 212.274 0.063 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ncccn2)C1 ZINC001000502280 643786798 /nfs/dbraw/zinc/78/67/98/643786798.db2.gz GAFXHTNZTLNRNG-LLVKDONJSA-N 1 0 244.298 0.304 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)Cc2ncc[nH]2)C1 ZINC001000558249 643789575 /nfs/dbraw/zinc/78/95/75/643789575.db2.gz GAEXJLBTPSXYLU-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2oncc2C)C1 ZINC001000592190 643791727 /nfs/dbraw/zinc/79/17/27/643791727.db2.gz BCAGRCOFDBKAAN-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccn(C)n2)C1 ZINC001000930059 643799914 /nfs/dbraw/zinc/79/99/14/643799914.db2.gz UTLABZXPSBPOHW-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[NH+]1CCC(CNC(=O)c2nnc[nH]2)CC1 ZINC001001953219 643809203 /nfs/dbraw/zinc/80/92/03/643809203.db2.gz XPVQPFXFXKZBJA-UHFFFAOYSA-N 1 0 249.318 0.433 20 30 BCEDRO C=CCOCCNC(=O)NCC1([NH+](C)C)CC1 ZINC000921870821 643813465 /nfs/dbraw/zinc/81/34/65/643813465.db2.gz XULWVOGYVTZMQA-UHFFFAOYSA-N 1 0 241.335 0.582 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)NCC(C)(C)C#N)CC[N@@H+]1C ZINC000921887351 643817166 /nfs/dbraw/zinc/81/71/66/643817166.db2.gz DCXYCGMIOKPWJO-ZJUUUORDSA-N 1 0 238.335 0.928 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)NCC(C)(C)C#N)CC[N@@H+]1C ZINC000921887296 643817727 /nfs/dbraw/zinc/81/77/27/643817727.db2.gz DCXYCGMIOKPWJO-UWVGGRQHSA-N 1 0 238.335 0.928 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)NCCCC#N)CC[N@@H+]1C ZINC000921905773 643823276 /nfs/dbraw/zinc/82/32/76/643823276.db2.gz HRZWUFLBJBSSIF-UWVGGRQHSA-N 1 0 224.308 0.682 20 30 BCEDRO N#Cc1cc(C[NH2+][C@@]2(CO)CCOC2)cs1 ZINC000921992908 643840072 /nfs/dbraw/zinc/84/00/72/643840072.db2.gz BTHSHMJJGLCYKM-LLVKDONJSA-N 1 0 238.312 0.861 20 30 BCEDRO C=C(C)[C@H](CO)N1CCC([NH+](C)C)CC1 ZINC000929259694 643844465 /nfs/dbraw/zinc/84/44/65/643844465.db2.gz KEJNDPUDRCQQPO-LBPRGKRZSA-N 1 0 212.337 0.949 20 30 BCEDRO C#CCN(C(=O)N(C)C)C1CC[NH+](C)CC1 ZINC000922023410 643847698 /nfs/dbraw/zinc/84/76/98/643847698.db2.gz JMKIDSLVAKSQLF-UHFFFAOYSA-N 1 0 223.320 0.697 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000922040760 643851531 /nfs/dbraw/zinc/85/15/31/643851531.db2.gz PCJOKUJCKCBMDR-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NCCC#CC)CC1 ZINC000922040104 643851985 /nfs/dbraw/zinc/85/19/85/643851985.db2.gz BKYQQUKCMLFQRC-UHFFFAOYSA-N 1 0 247.342 0.797 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1c[nH]nc1C ZINC000814898619 643855001 /nfs/dbraw/zinc/85/50/01/643855001.db2.gz UVYHWYHSSJRKQW-ZCFIWIBFSA-N 1 0 220.280 0.379 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1CC[C@@H]2[C@H]3OCC[C@H]3[C@@H]21 ZINC000922139612 643870906 /nfs/dbraw/zinc/87/09/06/643870906.db2.gz DZSRFKPTJFOPHY-GSZZWUTPSA-N 1 0 235.327 0.774 20 30 BCEDRO N#Cc1cc(C[NH2+]C[C@@H]2CNC(=O)C2)cs1 ZINC000922185056 643896860 /nfs/dbraw/zinc/89/68/60/643896860.db2.gz WKYUDZSXRAPVHN-MRVPVSSYSA-N 1 0 235.312 0.845 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccsc1 ZINC000086157318 643935111 /nfs/dbraw/zinc/93/51/11/643935111.db2.gz FKQVDWPMFGAVJC-UHFFFAOYSA-N 1 0 208.286 0.587 20 30 BCEDRO C=CC[N@H+](C[C@@H](O)C[C@@]1(O)CCOC1)C(C)C ZINC000929291683 643964033 /nfs/dbraw/zinc/96/40/33/643964033.db2.gz ABWUUZNJDQLCKF-STQMWFEESA-N 1 0 243.347 0.785 20 30 BCEDRO N#Cc1cc(C[NH2+][C@@H]2COCC[C@H]2O)cs1 ZINC000922307692 643965259 /nfs/dbraw/zinc/96/52/59/643965259.db2.gz IYPBFRRKIYYXKV-GHMZBOCLSA-N 1 0 238.312 0.859 20 30 BCEDRO C[C@H](O)[C@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC000922308565 643965450 /nfs/dbraw/zinc/96/54/50/643965450.db2.gz FEWCVWLNROCKBB-OIBJUYFYSA-N 1 0 226.301 0.451 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)N[C@@H]2C[C@H]2C)CC1 ZINC000922397136 643987311 /nfs/dbraw/zinc/98/73/11/643987311.db2.gz LZWGEMOICOZOPO-ZYHUDNBSSA-N 1 0 235.331 0.792 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@@H]1CC[N@H+]1C ZINC000922706248 644071170 /nfs/dbraw/zinc/07/11/70/644071170.db2.gz UDWZMOKFGKYUPZ-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCONC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000922766960 644090808 /nfs/dbraw/zinc/09/08/08/644090808.db2.gz MPYXPECOTLZMAH-SNVBAGLBSA-N 1 0 245.323 0.370 20 30 BCEDRO COCCNC(=[NH2+])NCC1CCSCC1 ZINC000073840229 644137165 /nfs/dbraw/zinc/13/71/65/644137165.db2.gz UWRNFRQAAUBKPI-UHFFFAOYSA-N 1 0 231.365 0.680 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCC(C)(C)O1 ZINC000186888902 644151700 /nfs/dbraw/zinc/15/17/00/644151700.db2.gz LVQUCLYNEDUVDR-ZJUUUORDSA-N 1 0 243.351 0.883 20 30 BCEDRO CC[NH+]=C(NCC1CC1)NCC1(O)CCC1 ZINC000086582374 644153112 /nfs/dbraw/zinc/15/31/12/644153112.db2.gz WRLGUVMBHJYWER-UHFFFAOYSA-N 1 0 225.336 0.867 20 30 BCEDRO C#CC[NH+]1CCC(N(C)C(=O)c2ccon2)CC1 ZINC001005137762 644172770 /nfs/dbraw/zinc/17/27/70/644172770.db2.gz UNGFPECMOPBBHX-UHFFFAOYSA-N 1 0 247.298 0.844 20 30 BCEDRO CCN(C)C(=O)CNC(=[NH2+])N1CCCCCC1 ZINC000187052839 644202943 /nfs/dbraw/zinc/20/29/43/644202943.db2.gz GAFQXBJQLYJARV-UHFFFAOYSA-N 1 0 240.351 0.655 20 30 BCEDRO [NH2+]=C(NCCCCCO)N1CCCCC1 ZINC000193020158 644207832 /nfs/dbraw/zinc/20/78/32/644207832.db2.gz ZSQHMOMHWXRRBI-UHFFFAOYSA-N 1 0 213.325 0.950 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC1([NH+](C)C)CC1 ZINC000922992826 644218171 /nfs/dbraw/zinc/21/81/71/644218171.db2.gz SEAZLONHSYIBLL-VIFPVBQESA-N 1 0 209.293 0.402 20 30 BCEDRO COCCNC(=[NH2+])NCC1(SC)CCC1 ZINC000193260432 644227063 /nfs/dbraw/zinc/22/70/63/644227063.db2.gz DSURUESQVJICAW-UHFFFAOYSA-N 1 0 231.365 0.823 20 30 BCEDRO [NH2+]=C(NCCCOC(F)F)N1CCOCC1 ZINC000193283975 644231108 /nfs/dbraw/zinc/23/11/08/644231108.db2.gz BBHDGSLARPBPBH-UHFFFAOYSA-N 1 0 237.250 0.263 20 30 BCEDRO C=C[C@@H](C)ONC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000923086902 644264045 /nfs/dbraw/zinc/26/40/45/644264045.db2.gz RCUZDAKKAMOXBQ-BDAKNGLRSA-N 1 0 213.281 0.496 20 30 BCEDRO C=CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000923222847 644291249 /nfs/dbraw/zinc/29/12/49/644291249.db2.gz PUKARJKFSWIWAB-UWVGGRQHSA-N 1 0 211.309 0.954 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NC[C@H](C)COC ZINC000194691092 644340318 /nfs/dbraw/zinc/34/03/18/644340318.db2.gz YQVQFPRJHFDHFU-DTWKUNHWSA-N 1 0 201.314 0.972 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCC(=O)N1CCCCC1 ZINC000194686986 644340841 /nfs/dbraw/zinc/34/08/41/644340841.db2.gz KYDHQCKRRVOBAM-SNVBAGLBSA-N 1 0 240.351 0.702 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@@H](F)C[C@H]1C[NH2+]C ZINC000923352439 644369746 /nfs/dbraw/zinc/36/97/46/644369746.db2.gz RILJJWRCGUVRSG-SRVKXCTJSA-N 1 0 230.327 0.945 20 30 BCEDRO N#Cc1ccc(CN2CCC[C@@H]([NH2+]CCO)C2)o1 ZINC000923410095 644412356 /nfs/dbraw/zinc/41/23/56/644412356.db2.gz WTBJHKPGDLUDER-LLVKDONJSA-N 1 0 249.314 0.698 20 30 BCEDRO C=CCC[C@H](O)CN(CC)[C@H]1CC[NH2+]C1 ZINC000923426377 644418710 /nfs/dbraw/zinc/41/87/10/644418710.db2.gz TTXARFVIWOTKBO-RYUDHWBXSA-N 1 0 212.337 0.997 20 30 BCEDRO N#C[C@H]1CCCN([C@H]2C[C@H]([NH3+])C[C@@H]2O)C1 ZINC000923433484 644426493 /nfs/dbraw/zinc/42/64/93/644426493.db2.gz ZWRHMCVNTVSTCX-RCWTZXSCSA-N 1 0 209.293 0.073 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NC/C=C\C)CC1 ZINC000923453625 644442351 /nfs/dbraw/zinc/44/23/51/644442351.db2.gz BRFCTRWYVDQJNV-HYXAFXHYSA-N 1 0 235.331 0.959 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)C[NH+]2CCCC2)C1 ZINC000923566652 644502803 /nfs/dbraw/zinc/50/28/03/644502803.db2.gz MYBKPDASZDBYPH-CYBMUJFWSA-N 1 0 249.358 0.296 20 30 BCEDRO COc1ccc(C[NH2+][C@H](C)C(N)=O)cc1C#N ZINC000087822974 644503183 /nfs/dbraw/zinc/50/31/83/644503183.db2.gz LMVVHFSXKKEUQP-MRVPVSSYSA-N 1 0 233.271 0.530 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)C[C@@H](C)OC)C1 ZINC000923580783 644514241 /nfs/dbraw/zinc/51/42/41/644514241.db2.gz BHWDJWLGPGLKSX-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C=CCCOCC[NH2+]CCS(=O)(=O)CC ZINC000231821701 644531609 /nfs/dbraw/zinc/53/16/09/644531609.db2.gz PDVCUSPWXMHUKH-UHFFFAOYSA-N 1 0 235.349 0.603 20 30 BCEDRO CO[C@@H](C)CC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000749733315 644593891 /nfs/dbraw/zinc/59/38/91/644593891.db2.gz NNNANABGKHDWEM-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000750261863 644595815 /nfs/dbraw/zinc/59/58/15/644595815.db2.gz MJOYLDWPTXFKRC-NWDGAFQWSA-N 1 0 236.315 0.094 20 30 BCEDRO C[NH+](C)C1(C(=O)NCCCC#N)CCC1 ZINC000752842388 644603450 /nfs/dbraw/zinc/60/34/50/644603450.db2.gz PXUWDBRYTWAGNB-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C#CCNC(=S)NCC[N@@H+](CC)C(C)C ZINC000758217076 644636138 /nfs/dbraw/zinc/63/61/38/644636138.db2.gz OFLMXDOOBSBHLT-UHFFFAOYSA-N 1 0 227.377 0.814 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccccc2O)N1 ZINC000779797981 644715812 /nfs/dbraw/zinc/71/58/12/644715812.db2.gz MCQADBVDLXBPMG-MRVPVSSYSA-N 1 0 218.260 0.663 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)C1CCOCC1 ZINC000779805263 644717029 /nfs/dbraw/zinc/71/70/29/644717029.db2.gz LYAHPUAFIWIHAM-MRVPVSSYSA-N 1 0 224.308 0.726 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnc3ncccn23)N1 ZINC000779798824 644717855 /nfs/dbraw/zinc/71/78/55/644717855.db2.gz QGVLHRUZVMRJQB-MRVPVSSYSA-N 1 0 243.274 0.001 20 30 BCEDRO COCCC(=NNC1=[NH+][C@@H](C)CN1)C(C)C ZINC000779805776 644718610 /nfs/dbraw/zinc/71/86/10/644718610.db2.gz RNNGLKVXKXTBFR-VIFPVBQESA-N 1 0 226.324 0.972 20 30 BCEDRO C=CCN1CCN(C(=O)C23CC[NH+](CC2)C3)CC1 ZINC000957344950 644721496 /nfs/dbraw/zinc/72/14/96/644721496.db2.gz ZFJJJOILXBDMCA-UHFFFAOYSA-N 1 0 249.358 0.412 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CC2)C1 ZINC000957783239 644750973 /nfs/dbraw/zinc/75/09/73/644750973.db2.gz DWALGJJTTCBPEF-NWDGAFQWSA-N 1 0 238.331 0.381 20 30 BCEDRO C=C(C)C[N@H+]1C[C@@H](CNC(=O)C2CC2)[C@H](O)C1 ZINC000957783241 644752809 /nfs/dbraw/zinc/75/28/09/644752809.db2.gz DWALGJJTTCBPEF-VXGBXAGGSA-N 1 0 238.331 0.381 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 ZINC000958170047 644780538 /nfs/dbraw/zinc/78/05/38/644780538.db2.gz VKISBLOMEOLSLS-XQHKEYJVSA-N 1 0 248.326 0.235 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC000958301900 644786565 /nfs/dbraw/zinc/78/65/65/644786565.db2.gz OUFJIUNULWEWTC-GDNZZTSVSA-N 1 0 244.298 0.093 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CCOC1 ZINC000958337081 644789686 /nfs/dbraw/zinc/78/96/86/644789686.db2.gz YGDTXQWEXWFIJM-WYUUTHIRSA-N 1 0 236.315 0.255 20 30 BCEDRO C#CC(=O)NCC1(SC)CC[NH+](C)CC1 ZINC000793368252 644803251 /nfs/dbraw/zinc/80/32/51/644803251.db2.gz JEHFSXILTOEBIN-UHFFFAOYSA-N 1 0 226.345 0.563 20 30 BCEDRO CNC(NCc1ccc(OC)nc1)=[NH+]C ZINC000303254329 644812217 /nfs/dbraw/zinc/81/22/17/644812217.db2.gz DXRWKJMHBWBSSQ-UHFFFAOYSA-N 1 0 208.265 0.385 20 30 BCEDRO CNC(NC[C@@H](C)Cn1cccn1)=[NH+]C ZINC000303264310 644813397 /nfs/dbraw/zinc/81/33/97/644813397.db2.gz SBKBKIHTVIWRCZ-SECBINFHSA-N 1 0 209.297 0.314 20 30 BCEDRO CCNC(NCCOCCOC)=[NH+]CC ZINC000303266034 644813984 /nfs/dbraw/zinc/81/39/84/644813984.db2.gz VOIHWPFKENESFW-UHFFFAOYSA-N 1 0 217.313 0.224 20 30 BCEDRO CCCCOCCNC(=[NH2+])NCCOC ZINC000303267176 644814017 /nfs/dbraw/zinc/81/40/17/644814017.db2.gz WXSBORHWXYAXTH-UHFFFAOYSA-N 1 0 217.313 0.354 20 30 BCEDRO CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1c[nH]c(C#N)c1 ZINC000958617480 644815459 /nfs/dbraw/zinc/81/54/59/644815459.db2.gz GOCKGXQMUGHJFA-GDNZZTSVSA-N 1 0 244.298 0.566 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1coc(C)c1 ZINC000958666833 644818510 /nfs/dbraw/zinc/81/85/10/644818510.db2.gz AVPOHJQTJMYVBG-ITGUQSILSA-N 1 0 244.294 0.881 20 30 BCEDRO C[NH+]=C(NCc1ccc(OC)nc1)NC1CC1 ZINC000303408759 644822493 /nfs/dbraw/zinc/82/24/93/644822493.db2.gz UJMIYHWFPHPXLV-UHFFFAOYSA-N 1 0 234.303 0.918 20 30 BCEDRO CC#CC(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000801140780 644837659 /nfs/dbraw/zinc/83/76/59/644837659.db2.gz ADRIBNLEFGQNAG-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@@H](C)COC ZINC000303696816 644838840 /nfs/dbraw/zinc/83/88/40/644838840.db2.gz FHUHUKPALRQZFN-WDEREUQCSA-N 1 0 242.367 0.410 20 30 BCEDRO CCOCCCNC(=[NH2+])N1CCOCC1 ZINC000303721890 644842727 /nfs/dbraw/zinc/84/27/27/644842727.db2.gz XTJDKSQGJYXBRM-UHFFFAOYSA-N 1 0 215.297 0.060 20 30 BCEDRO CC(C)NC(=[NH2+])NCCCOC[C@@H]1CCCO1 ZINC000303773201 644844907 /nfs/dbraw/zinc/84/49/07/644844907.db2.gz FGAFAGNTSGHSNV-NSHDSACASA-N 1 0 243.351 0.885 20 30 BCEDRO CC(C)C(=O)NCCNC(=[NH2+])N1CCCCC1 ZINC000303769852 644845146 /nfs/dbraw/zinc/84/51/46/644845146.db2.gz BFIPRDYIFAHJIL-UHFFFAOYSA-N 1 0 240.351 0.559 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCC(=O)OC(C)C ZINC000303777120 644845639 /nfs/dbraw/zinc/84/56/39/644845639.db2.gz IRBAWWYOYWKJAH-SECBINFHSA-N 1 0 245.323 0.267 20 30 BCEDRO COCC[NH+]1CCN(CCO[C@@H](C)C#N)CC1 ZINC000801912535 644846095 /nfs/dbraw/zinc/84/60/95/644846095.db2.gz VPWTXVVZIIZKRT-LBPRGKRZSA-N 1 0 241.335 0.179 20 30 BCEDRO COC(=O)[C@@]1(C)CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000801927253 644846831 /nfs/dbraw/zinc/84/68/31/644846831.db2.gz KRWIRQMCNNSROO-PWSUYJOCSA-N 1 0 240.303 0.800 20 30 BCEDRO CCCNC(=[NH2+])NC[C@@H](C)Cn1cccn1 ZINC000303863235 644851359 /nfs/dbraw/zinc/85/13/59/644851359.db2.gz ACASFWNSTFUFMK-SNVBAGLBSA-N 1 0 223.324 0.834 20 30 BCEDRO C#Cc1cncc(C(=O)NC[C@@H](C)[NH+](C)C)c1 ZINC000806438386 644852362 /nfs/dbraw/zinc/85/23/62/644852362.db2.gz CEEFMRXRNMRQNS-SNVBAGLBSA-N 1 0 231.299 0.743 20 30 BCEDRO CCCCNC(=[NH2+])NCCC(=O)N[C@@H](C)CC ZINC000303876266 644852553 /nfs/dbraw/zinc/85/25/53/644852553.db2.gz IAXDTFNEJMSHOB-JTQLQIEISA-N 1 0 242.367 0.996 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCn1cccn1 ZINC000303887684 644854402 /nfs/dbraw/zinc/85/44/02/644854402.db2.gz OMRAYOKDGNOCPZ-UHFFFAOYSA-N 1 0 223.324 0.834 20 30 BCEDRO CC(C)COC[C@@H](O)CNC(=[NH2+])NC(C)(C)C ZINC000303881454 644854830 /nfs/dbraw/zinc/85/48/30/644854830.db2.gz HTFJGGHWNSYRCH-JTQLQIEISA-N 1 0 245.367 0.723 20 30 BCEDRO CCCCNC(=[NH2+])NCCCS(C)(=O)=O ZINC000303898799 644856393 /nfs/dbraw/zinc/85/63/93/644856393.db2.gz VUBOTMVGUBECGB-UHFFFAOYSA-N 1 0 235.353 0.126 20 30 BCEDRO CCOCCCNC(=[NH2+])NC[C@H](C)C(=O)OC ZINC000303971079 644860765 /nfs/dbraw/zinc/86/07/65/644860765.db2.gz DCWGAMFGAAGLHM-VIFPVBQESA-N 1 0 245.323 0.126 20 30 BCEDRO CCN(CC)C(=[NH2+])NC[C@H](C)C(=O)OC ZINC000303985506 644863255 /nfs/dbraw/zinc/86/32/55/644863255.db2.gz SWWJNQNNZQDIPP-QMMMGPOBSA-N 1 0 215.297 0.452 20 30 BCEDRO COCCNC(=[NH2+])NCc1cc(C(C)C)no1 ZINC000304128114 644872348 /nfs/dbraw/zinc/87/23/48/644872348.db2.gz PISPSZMPPOXTGA-UHFFFAOYSA-N 1 0 240.307 0.849 20 30 BCEDRO CCn1c(C)cc(C=NNC(N)=[NH2+])c1C ZINC000252668329 644875473 /nfs/dbraw/zinc/87/54/73/644875473.db2.gz URTLGCWREQZUCS-UHFFFAOYSA-N 1 0 207.281 0.942 20 30 BCEDRO COCc1ccc(C=NNC(N)=[NH2+])cc1 ZINC000252677270 644875502 /nfs/dbraw/zinc/87/55/02/644875502.db2.gz ZBSLWIFBBSDITQ-UHFFFAOYSA-N 1 0 206.249 0.650 20 30 BCEDRO C[C@H](C#N)OCC[NH+]1CCC2(CC1)OCCO2 ZINC000304229502 644878971 /nfs/dbraw/zinc/87/89/71/644878971.db2.gz KHFRYAAAQLBPKN-LLVKDONJSA-N 1 0 240.303 0.754 20 30 BCEDRO C[C@@H](C#N)OCCSc1nc(N)cc(N)[nH+]1 ZINC000304257673 644881693 /nfs/dbraw/zinc/88/16/93/644881693.db2.gz SMAKDTRBAXKNOZ-LURJTMIESA-N 1 0 239.304 0.662 20 30 BCEDRO COC(=O)[C@H]1CCCCN1CCO[C@H](C)C#N ZINC000304287526 644887978 /nfs/dbraw/zinc/88/79/78/644887978.db2.gz YMLZVPCZMDQNID-GHMZBOCLSA-N 1 0 240.303 0.943 20 30 BCEDRO [NH2+]=C(NCCCOC[C@H]1CCOC1)NC1CC1 ZINC000304287983 644888106 /nfs/dbraw/zinc/88/81/06/644888106.db2.gz DDMADLVEOBQXGG-SNVBAGLBSA-N 1 0 241.335 0.496 20 30 BCEDRO COC(=O)CC[N@H+](CC(C)C)C[C@H](O)CC#N ZINC000809573447 644892180 /nfs/dbraw/zinc/89/21/80/644892180.db2.gz LSDMFOAISHFRRL-LLVKDONJSA-N 1 0 242.319 0.782 20 30 BCEDRO CC(C)(C)C[N@H+](CCCO)C[C@H](O)CC#N ZINC000809574523 644893513 /nfs/dbraw/zinc/89/35/13/644893513.db2.gz OSIQEYSJHLBUJX-LLVKDONJSA-N 1 0 228.336 0.991 20 30 BCEDRO CC[NH+](CC)[C@H]1CCN(C[C@H](O)CC#N)C1 ZINC000809574774 644893749 /nfs/dbraw/zinc/89/37/49/644893749.db2.gz PUNNVTXFQRWICP-NWDGAFQWSA-N 1 0 225.336 0.677 20 30 BCEDRO CNC(=[NH2+])NCCOCc1ccccc1 ZINC000304561547 644918255 /nfs/dbraw/zinc/91/82/55/644918255.db2.gz YBYWZOLANLOSAH-UHFFFAOYSA-N 1 0 207.277 0.737 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H](OC)C(C)(C)C ZINC000304699492 644924744 /nfs/dbraw/zinc/92/47/44/644924744.db2.gz JCLMDYAKKJGSSE-UWVGGRQHSA-N 1 0 245.367 0.987 20 30 BCEDRO C[NH+]=C(NCC(C)(C)S(C)(=O)=O)NC1CC1 ZINC000304695126 644925962 /nfs/dbraw/zinc/92/59/62/644925962.db2.gz ICVNPEUKTYRJHX-UHFFFAOYSA-N 1 0 247.364 0.137 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H](OC)C(C)(C)C ZINC000304699490 644926045 /nfs/dbraw/zinc/92/60/45/644926045.db2.gz JCLMDYAKKJGSSE-NXEZZACHSA-N 1 0 245.367 0.987 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC(C)(C)S(C)(=O)=O ZINC000304748182 644928596 /nfs/dbraw/zinc/92/85/96/644928596.db2.gz VZXHDRZUGQCHRJ-UHFFFAOYSA-N 1 0 247.364 0.290 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCC2(O)CCC2)C1 ZINC000304752380 644928674 /nfs/dbraw/zinc/92/86/74/644928674.db2.gz KEWQFAXYXPDYOQ-JTQLQIEISA-N 1 0 225.336 0.948 20 30 BCEDRO CC(C)NC(=[NH2+])NCCOC[C@@H]1CCCO1 ZINC000304746896 644929775 /nfs/dbraw/zinc/92/97/75/644929775.db2.gz FZOOAHTYWZWAMQ-JTQLQIEISA-N 1 0 229.324 0.495 20 30 BCEDRO CCc1nncn1CCNC(=[NH2+])NCC(C)C ZINC000304787455 644933133 /nfs/dbraw/zinc/93/31/33/644933133.db2.gz IWLKDESHXLNGJA-UHFFFAOYSA-N 1 0 238.339 0.401 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ncc(C)s1 ZINC000304810995 644934968 /nfs/dbraw/zinc/93/49/68/644934968.db2.gz WWEXOBOAUDYWAE-ZETCQYMHSA-N 1 0 242.348 0.891 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000815061508 644948757 /nfs/dbraw/zinc/94/87/57/644948757.db2.gz XFIDZIJUKWQHFH-CYBMUJFWSA-N 1 0 236.315 0.238 20 30 BCEDRO N#CCC[NH2+]C[C@H](O)COCc1ccco1 ZINC000819269939 645009814 /nfs/dbraw/zinc/00/98/14/645009814.db2.gz QZGZNZHWPWDUDV-JTQLQIEISA-N 1 0 224.260 0.660 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC000829784171 645111419 /nfs/dbraw/zinc/11/14/19/645111419.db2.gz GQRBCHXZQWZGOK-QWRGUYRKSA-N 1 0 208.305 0.986 20 30 BCEDRO C#CC1CC[NH+](CC(=O)NCC2CC2)CC1 ZINC000830316163 645119041 /nfs/dbraw/zinc/11/90/41/645119041.db2.gz GYQJVMYFESWXHU-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CC1CC[NH+](CCN2CCOC2=O)CC1 ZINC000830316613 645119737 /nfs/dbraw/zinc/11/97/37/645119737.db2.gz ZVHRQKDDEQBNMD-UHFFFAOYSA-N 1 0 222.288 0.784 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)C1CC1 ZINC000834362540 645138764 /nfs/dbraw/zinc/13/87/64/645138764.db2.gz CWZGBOOOOSLSRY-JTQLQIEISA-N 1 0 208.305 0.762 20 30 BCEDRO CCc1ccnc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834484585 645143612 /nfs/dbraw/zinc/14/36/12/645143612.db2.gz KRPUBDQQUXMFKK-JQWIXIFHSA-N 1 0 244.298 0.485 20 30 BCEDRO CC(C)CNC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000841506942 645216766 /nfs/dbraw/zinc/21/67/66/645216766.db2.gz MJHDNCMUPMFXRT-BDAKNGLRSA-N 1 0 210.281 0.053 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCCCCO ZINC000843062312 645260448 /nfs/dbraw/zinc/26/04/48/645260448.db2.gz NYDDRELWZRHDBC-UHFFFAOYSA-N 1 0 226.320 0.268 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2CO[C@@H](C)[C@@H]2C)nn1 ZINC000926611441 645314554 /nfs/dbraw/zinc/31/45/54/645314554.db2.gz MIXXNVBNGIAIDI-JBLDHEPKSA-N 1 0 236.319 0.977 20 30 BCEDRO C#Cc1ccc(C[NH2+]C[C@@](C)(O)CO)cc1 ZINC000846059189 645396317 /nfs/dbraw/zinc/39/63/17/645396317.db2.gz UYIVTVLVWDFPDJ-CYBMUJFWSA-N 1 0 219.284 0.501 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCCCC[C@H]1CO ZINC000847018220 645413517 /nfs/dbraw/zinc/41/35/17/645413517.db2.gz XEGROQRZXMEJOJ-LBPRGKRZSA-N 1 0 238.331 0.363 20 30 BCEDRO C#C[C@H]1CCCN(C(=O)[C@@H]2CCC[N@H+]2C)C1 ZINC000848285553 645436498 /nfs/dbraw/zinc/43/64/98/645436498.db2.gz UYRNUBRMDSPKIY-RYUDHWBXSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2COC[C@@H]2C)C1 ZINC000926868817 645458020 /nfs/dbraw/zinc/45/80/20/645458020.db2.gz QXHXZHNBVUJQGK-RWMBFGLXSA-N 1 0 222.332 0.709 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@@H](C)c2cnn(C)n2)C1 ZINC000926868159 645464980 /nfs/dbraw/zinc/46/49/80/645464980.db2.gz ODSBVYPUYRBNKF-NWDGAFQWSA-N 1 0 247.346 0.563 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H](C)c2cnn(C)n2)C1 ZINC000926868160 645466659 /nfs/dbraw/zinc/46/66/59/645466659.db2.gz ODSBVYPUYRBNKF-RYUDHWBXSA-N 1 0 247.346 0.563 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](COC)OC)C1 ZINC000852216237 645476818 /nfs/dbraw/zinc/47/68/18/645476818.db2.gz WXBKCXJUKCJUNN-RYUDHWBXSA-N 1 0 211.305 0.993 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)C1(CO)CC1 ZINC000855477046 645525774 /nfs/dbraw/zinc/52/57/74/645525774.db2.gz BGSICWXQFCFDQP-JTQLQIEISA-N 1 0 226.320 0.381 20 30 BCEDRO C[C@@H](CCO)[NH2+]CCNc1ccc(C#N)cn1 ZINC000927162559 645580590 /nfs/dbraw/zinc/58/05/90/645580590.db2.gz GCVCVANWSWTBOQ-JTQLQIEISA-N 1 0 234.303 0.726 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](C)[C@@H](CO)C1 ZINC000857729603 645663931 /nfs/dbraw/zinc/66/39/31/645663931.db2.gz BTTHJTFNWPDEFX-CMPLNLGQSA-N 1 0 240.347 0.581 20 30 BCEDRO C#CC[C@H](COC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000863799831 645706127 /nfs/dbraw/zinc/70/61/27/645706127.db2.gz RGSPFJHSCNCYID-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)c2coc(C#N)c2)CC[N@@H+]1C ZINC000928425143 645739925 /nfs/dbraw/zinc/73/99/25/645739925.db2.gz AGCWAOVAEOOXEG-LDYMZIIASA-N 1 0 233.271 0.974 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)c2coc(C#N)c2)CC[N@@H+]1C ZINC000928425141 645744572 /nfs/dbraw/zinc/74/45/72/645744572.db2.gz AGCWAOVAEOOXEG-KCJUWKMLSA-N 1 0 233.271 0.974 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928437558 645755639 /nfs/dbraw/zinc/75/56/39/645755639.db2.gz XHOFMLJLNHQXFJ-GMTAPVOTSA-N 1 0 224.304 0.234 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)c2cccc(C#N)n2)CC[N@@H+]1C ZINC000928436532 645756893 /nfs/dbraw/zinc/75/68/93/645756893.db2.gz PECQPYMDPINMGP-MWLCHTKSSA-N 1 0 244.298 0.776 20 30 BCEDRO C=CCCCCCNS(=O)(=O)C1C[NH2+]C1 ZINC000923656795 645791432 /nfs/dbraw/zinc/79/14/32/645791432.db2.gz YRFLYRYDLSGHJN-UHFFFAOYSA-N 1 0 232.349 0.624 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(C(=O)C#CC1CC1)C2 ZINC000877372031 645794286 /nfs/dbraw/zinc/79/42/86/645794286.db2.gz TZSTTWSHNHAUDS-WCQYABFASA-N 1 0 218.300 0.468 20 30 BCEDRO C=CC[N@@H+](C[C@@H](O)C1(O)CCC1)C1CC1 ZINC000930174949 645816860 /nfs/dbraw/zinc/81/68/60/645816860.db2.gz GBNBFZHPEKCBFF-LLVKDONJSA-N 1 0 211.305 0.913 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@@H](O)CC)CC1 ZINC000880479334 645832469 /nfs/dbraw/zinc/83/24/69/645832469.db2.gz NLNMFIVANIXKLU-NSHDSACASA-N 1 0 211.305 0.608 20 30 BCEDRO C#CCC1(O)CC[NH+](CCC(=O)N(C)C)CC1 ZINC000880479237 645832715 /nfs/dbraw/zinc/83/27/15/645832715.db2.gz QVJKOARCCVHJFP-UHFFFAOYSA-N 1 0 238.331 0.315 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@H]2CCOC2)CC1 ZINC000880479455 645832814 /nfs/dbraw/zinc/83/28/14/645832814.db2.gz UZQSCLNKQGKKIS-GFCCVEGCSA-N 1 0 223.316 0.873 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc2cnccn12 ZINC000883124047 645848325 /nfs/dbraw/zinc/84/83/25/645848325.db2.gz UCLYMERBNUGBLJ-SNVBAGLBSA-N 1 0 230.271 0.203 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2C[C@H]2C)CC1 ZINC000928652535 645852268 /nfs/dbraw/zinc/85/22/68/645852268.db2.gz BHIPOMNIDNXMTM-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](O)C(C)C)CC1 ZINC000928653684 645852281 /nfs/dbraw/zinc/85/22/81/645852281.db2.gz WMRKYRZTVVBNHU-LBPRGKRZSA-N 1 0 238.331 0.217 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2[C@@H]3COC[C@@H]32)CC1 ZINC000928648854 645853387 /nfs/dbraw/zinc/85/33/87/645853387.db2.gz SKJINJPFMOQHMG-ITGUQSILSA-N 1 0 248.326 0.093 20 30 BCEDRO C=CC[N@@H+](C[C@@H](O)C[C@@]1(O)CCOC1)C1CC1 ZINC000930176032 645859589 /nfs/dbraw/zinc/85/95/89/645859589.db2.gz PDXOCAXIYRWKLF-STQMWFEESA-N 1 0 241.331 0.539 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)N[C@H](CC#N)C(F)(F)F)C1 ZINC000928802337 645860655 /nfs/dbraw/zinc/86/06/55/645860655.db2.gz GFPAUFOARYRRJQ-HTQZYQBOSA-N 1 0 249.236 0.899 20 30 BCEDRO C#C[C@H](NC[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000300965216 645898983 /nfs/dbraw/zinc/89/89/83/645898983.db2.gz RLLAFSBMYCQMAF-STQMWFEESA-N 1 0 224.348 0.691 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](CC)CO ZINC000035115010 645936105 /nfs/dbraw/zinc/93/61/05/645936105.db2.gz ZDKVSBYPBPHGFY-RKDXNWHRSA-N 1 0 200.282 0.038 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NCCC#N)c1cccnc1 ZINC000035125520 645956380 /nfs/dbraw/zinc/95/63/80/645956380.db2.gz PPJJOZHKIFIDSS-JTQLQIEISA-N 1 0 232.287 0.762 20 30 BCEDRO C=CC[C@H](CC)N1C(=O)N[C@@H](C[NH+](C)C)C1=O ZINC000924859125 646118579 /nfs/dbraw/zinc/11/85/79/646118579.db2.gz AJPLYTGETHSPBC-UWVGGRQHSA-N 1 0 239.319 0.823 20 30 BCEDRO C=C(CC)CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924918120 646133175 /nfs/dbraw/zinc/13/31/75/646133175.db2.gz QAKMHPAOJUZKQV-SECBINFHSA-N 1 0 225.292 0.435 20 30 BCEDRO N#CC[C@@H](O)CN1CC[C@@H]([NH+]2CCCC2)C1 ZINC000929486026 646141232 /nfs/dbraw/zinc/14/12/32/646141232.db2.gz STMSJPGAAWGQJP-VXGBXAGGSA-N 1 0 223.320 0.431 20 30 BCEDRO C=C1CC[NH+](C[C@H](O)C[C@@]2(O)CCOC2)CC1 ZINC000929605254 646194785 /nfs/dbraw/zinc/19/47/85/646194785.db2.gz XTVNAHBMKBWSDL-OLZOCXBDSA-N 1 0 241.331 0.541 20 30 BCEDRO C[C@@](CO)([NH2+]C[C@H](O)CC#N)c1ccccc1 ZINC000929604274 646195920 /nfs/dbraw/zinc/19/59/20/646195920.db2.gz SZLSSPIVTZOYHE-OLZOCXBDSA-N 1 0 234.299 0.758 20 30 BCEDRO CC#CCN(C)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925423731 646275464 /nfs/dbraw/zinc/27/54/64/646275464.db2.gz IMGFPOFFVKTIGA-SNVBAGLBSA-N 1 0 209.293 0.355 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)c1cnn(C)n1 ZINC000925453123 646284149 /nfs/dbraw/zinc/28/41/49/646284149.db2.gz GYKPBABOQSTNDU-VIFPVBQESA-N 1 0 224.333 0.832 20 30 BCEDRO C[N@@H+]1CCC[C@H]2CN(C[C@H](O)CC#N)CC[C@H]21 ZINC000929848450 646357416 /nfs/dbraw/zinc/35/74/16/646357416.db2.gz SHRFBXNAHNRAQN-YNEHKIRRSA-N 1 0 237.347 0.677 20 30 BCEDRO C=CC[C@H](CO)CN[C@@H]1CC[NH2+]C1(C)C ZINC000925630907 646370181 /nfs/dbraw/zinc/37/01/81/646370181.db2.gz SJCBXCJIDLYNMT-WDEREUQCSA-N 1 0 212.337 0.901 20 30 BCEDRO C=CCCOCCN[C@@H]1C[NH2+]CCOC1 ZINC000925627416 646374774 /nfs/dbraw/zinc/37/47/74/646374774.db2.gz YIKAASCJVBEQIH-LLVKDONJSA-N 1 0 214.309 0.157 20 30 BCEDRO C=CCS(=O)(=O)CCN[C@H]1CCC[NH2+][C@@H]1C ZINC000925634021 646377987 /nfs/dbraw/zinc/37/79/87/646377987.db2.gz HUPJOLRDOMEHGG-MNOVXSKESA-N 1 0 246.376 0.317 20 30 BCEDRO C=CCS(=O)(=O)CCN[C@@H]1CCC[NH2+][C@H]1C ZINC000925634024 646378317 /nfs/dbraw/zinc/37/83/17/646378317.db2.gz HUPJOLRDOMEHGG-WDEREUQCSA-N 1 0 246.376 0.317 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H]([C@H]2CCOC2)C1 ZINC000930073112 646419962 /nfs/dbraw/zinc/41/99/62/646419962.db2.gz YRSSVIBVYOXDDQ-SDDRHHMPSA-N 1 0 224.304 0.619 20 30 BCEDRO Cn1ccc(NC(=O)NCC#CC[NH+](C)C)n1 ZINC000930074625 646422582 /nfs/dbraw/zinc/42/25/82/646422582.db2.gz DETOGAIBENYZJU-UHFFFAOYSA-N 1 0 235.291 0.107 20 30 BCEDRO C[C@@H](O)C[C@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000930081189 646423211 /nfs/dbraw/zinc/42/32/11/646423211.db2.gz ICFBHMVKDUEESG-GMTAPVOTSA-N 1 0 212.293 0.496 20 30 BCEDRO C[C@H](O)C[C@@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000930081188 646424334 /nfs/dbraw/zinc/42/43/34/646424334.db2.gz ICFBHMVKDUEESG-GARJFASQSA-N 1 0 212.293 0.496 20 30 BCEDRO N#CCc1ccc(CN[C@H]2C[NH2+]CCOC2)cc1 ZINC000925704676 646429165 /nfs/dbraw/zinc/42/91/65/646429165.db2.gz ITSBZUYBUASGBI-AWEZNQCLSA-N 1 0 245.326 0.831 20 30 BCEDRO COCCO[C@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000930115131 646439922 /nfs/dbraw/zinc/43/99/22/646439922.db2.gz XMPZZXRPMDZRSI-NEPJUHHUSA-N 1 0 242.319 0.388 20 30 BCEDRO N#CC[C@@H](O)CN1CCC[C@H]1c1ncc[nH]1 ZINC000930169502 646470114 /nfs/dbraw/zinc/47/01/14/646470114.db2.gz ZXLFVWGTWNYGSM-ZJUUUORDSA-N 1 0 220.276 0.821 20 30 BCEDRO C=C(C)C[C@H](CO)N[C@H]1[C@@H]2[NH2+]C[C@H]3C[C@H]1C[C@H]23 ZINC000925772079 646473542 /nfs/dbraw/zinc/47/35/42/646473542.db2.gz PYQBGENJUODRJO-GMDXDWKASA-N 1 0 236.359 0.900 20 30 BCEDRO C[C@@H]1[C@H](C)[N@H+](C)CCN1C[C@H](O)CC#N ZINC000930178420 646479497 /nfs/dbraw/zinc/47/94/97/646479497.db2.gz YQPFAPMMMTXWDR-HBNTYKKESA-N 1 0 211.309 0.285 20 30 BCEDRO C=CC[C@@H](CO)N[C@@H](C)c1nonc1C ZINC000926152908 646586209 /nfs/dbraw/zinc/58/62/09/646586209.db2.gz MBZCYPFYPFASMD-CBAPKCEASA-N 1 0 211.265 0.966 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1COC[C@H]1C)[C@H]1CCCO1 ZINC000926211476 646590257 /nfs/dbraw/zinc/59/02/57/646590257.db2.gz UTTHZJYHDQQFMA-WRWGMCAJSA-N 1 0 209.289 0.792 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000926241466 646602789 /nfs/dbraw/zinc/60/27/89/646602789.db2.gz XKQYNMMOUVJKSK-SNVBAGLBSA-N 1 0 224.304 0.447 20 30 BCEDRO CNC(=[NH2+])NCCCN(C)CC(F)(F)F ZINC000161507053 711603267 /nfs/dbraw/zinc/60/32/67/711603267.db2.gz IOKRMGYPEFHULN-UHFFFAOYSA-N 1 0 226.246 0.405 20 30 BCEDRO CC1(C)[C@H]([NH2+]CCOCCC#N)C[C@@H]1O ZINC000385225792 711681808 /nfs/dbraw/zinc/68/18/08/711681808.db2.gz MKYZCJQENOSUEN-ZJUUUORDSA-N 1 0 212.293 0.666 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(CCOCCC#N)C[C@H]21 ZINC000385777683 711761492 /nfs/dbraw/zinc/76/14/92/711761492.db2.gz BTDGGPAXGZRNSR-GDNZZTSVSA-N 1 0 223.320 0.408 20 30 BCEDRO CC(C)[C@@H](O)C[NH+]1CCN(CCC#N)CC1 ZINC000590115367 711826418 /nfs/dbraw/zinc/82/64/18/711826418.db2.gz OEAQUZKEGBCYOF-LBPRGKRZSA-N 1 0 225.336 0.535 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)C2CC2)C1 ZINC001032848856 711961934 /nfs/dbraw/zinc/96/19/34/711961934.db2.gz OGZBXKQRIRRRKA-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)CC)C1 ZINC001032848825 711962058 /nfs/dbraw/zinc/96/20/58/711962058.db2.gz FTAVOIIKGWPUGU-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N(CC)C(C)=O)C1 ZINC001033716941 712016553 /nfs/dbraw/zinc/01/65/53/712016553.db2.gz DCXNFZWWJGTQBM-LBPRGKRZSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCCC[NH2+][C@H]1COCCC1(OC)OC ZINC000704745105 712115044 /nfs/dbraw/zinc/11/50/44/712115044.db2.gz CXCBOWXYOLMEMO-NSHDSACASA-N 1 0 227.304 0.767 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)C[C@@H](C)[NH3+] ZINC000707270010 712167518 /nfs/dbraw/zinc/16/75/18/712167518.db2.gz TUAJBMQSLNAWSV-SECBINFHSA-N 1 0 228.292 0.301 20 30 BCEDRO C#CC1(O)CC[NH+]([C@H](C)CCOC)CC1 ZINC000708152196 712183516 /nfs/dbraw/zinc/18/35/16/712183516.db2.gz MZBYDFACYJILDQ-LLVKDONJSA-N 1 0 211.305 0.872 20 30 BCEDRO C[C@@H](O)[C@H]1CCCC[N@@H+]1CC(=O)NCCC#N ZINC000708314139 712186353 /nfs/dbraw/zinc/18/63/53/712186353.db2.gz ZEXHKKYWBYQICI-GHMZBOCLSA-N 1 0 239.319 0.252 20 30 BCEDRO C[C@@H](O)[C@@H]1CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000708422526 712193790 /nfs/dbraw/zinc/19/37/90/712193790.db2.gz GPVZATZANICCME-GHMZBOCLSA-N 1 0 239.319 0.109 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H]2CN(C(C)=O)CC[C@@H]21 ZINC001036609736 712224325 /nfs/dbraw/zinc/22/43/25/712224325.db2.gz FVCVPUYNLFBLHS-OLZOCXBDSA-N 1 0 220.316 0.952 20 30 BCEDRO N#CCC1(C[N@H+]2CCC[C@@H](CO)[C@H]2CO)CC1 ZINC000709817602 712228118 /nfs/dbraw/zinc/22/81/18/712228118.db2.gz SJLPZGHTEDWHRS-NWDGAFQWSA-N 1 0 238.331 0.745 20 30 BCEDRO C#C[C@H](CC)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000709924538 712233443 /nfs/dbraw/zinc/23/34/43/712233443.db2.gz QKSRSVRQNAOEAU-GHMZBOCLSA-N 1 0 229.345 0.955 20 30 BCEDRO C#CC(=O)NCc1ccccc1C[NH+](C)C ZINC000710309554 712251482 /nfs/dbraw/zinc/25/14/82/712251482.db2.gz XOMAVHCPHKPVJB-UHFFFAOYSA-N 1 0 216.284 0.998 20 30 BCEDRO C=C(Cl)Cn1cc(CC[NH2+]CCOC)nn1 ZINC000710694867 712255124 /nfs/dbraw/zinc/25/51/24/712255124.db2.gz LJTNHQLMJDOFLT-UHFFFAOYSA-N 1 0 244.726 0.809 20 30 BCEDRO CC1(C#N)CC[NH+](CCn2cnnn2)CC1 ZINC000711927461 712339158 /nfs/dbraw/zinc/33/91/58/712339158.db2.gz BNGQBAZVKMGLMX-UHFFFAOYSA-N 1 0 220.280 0.299 20 30 BCEDRO C[C@H](O)CC[N@H+](C)CCO[C@@H](C)C#N ZINC000379491688 712386161 /nfs/dbraw/zinc/38/61/61/712386161.db2.gz RBMIXOUVLIBDKU-UWVGGRQHSA-N 1 0 200.282 0.618 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ccco1 ZINC000379425870 712384548 /nfs/dbraw/zinc/38/45/48/712384548.db2.gz BYZRNRIXCUZFAK-HTQZYQBOSA-N 1 0 205.217 0.121 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CSC[C@H]1C ZINC000379573807 712388744 /nfs/dbraw/zinc/38/87/44/712388744.db2.gz JGIXTFMGBDYHMV-RKDXNWHRSA-N 1 0 212.318 0.077 20 30 BCEDRO COC(=O)[C@@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000390425366 712417026 /nfs/dbraw/zinc/41/70/26/712417026.db2.gz VJWCEQHSAOSXOZ-VHSXEESVSA-N 1 0 226.276 0.410 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNc1ncncc1C#N ZINC000712571660 712447466 /nfs/dbraw/zinc/44/74/66/712447466.db2.gz YAWOHJQECZGPAT-SNVBAGLBSA-N 1 0 217.276 0.276 20 30 BCEDRO C=CCOCCC[NH2+]Cc1cn(CC)nn1 ZINC000714875602 712502362 /nfs/dbraw/zinc/50/23/62/712502362.db2.gz LFNUEBWVVKPRKO-UHFFFAOYSA-N 1 0 224.308 0.980 20 30 BCEDRO C=CC[C@@H](C)N1CCC[C@@H]([NH2+]CCO)C1 ZINC000715003311 712504001 /nfs/dbraw/zinc/50/40/01/712504001.db2.gz VCFFRFWYDMBMLV-VXGBXAGGSA-N 1 0 212.337 0.997 20 30 BCEDRO C#CC[C@H](COC)[NH2+]CC1(O)CCCC1 ZINC000716341357 712555422 /nfs/dbraw/zinc/55/54/22/712555422.db2.gz WPIZLWIXGGIHRK-LLVKDONJSA-N 1 0 211.305 0.919 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cncn1C ZINC000716930075 712596488 /nfs/dbraw/zinc/59/64/88/712596488.db2.gz XKMGJNDYCBHUKL-JTQLQIEISA-N 1 0 207.277 0.548 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C1CCN(C)CC1 ZINC000716930061 712596654 /nfs/dbraw/zinc/59/66/54/712596654.db2.gz XGQJJFPWLMGFDZ-GFCCVEGCSA-N 1 0 210.321 0.709 20 30 BCEDRO C#CC[C@@H](COC)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000716956183 712599719 /nfs/dbraw/zinc/59/97/19/712599719.db2.gz GYBZKANPVAHCFN-MNOVXSKESA-N 1 0 224.304 0.283 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)C[C@H]1CCOC1 ZINC000379817641 712611671 /nfs/dbraw/zinc/61/16/71/712611671.db2.gz RDLZRXHREQOMBG-WDEREUQCSA-N 1 0 212.293 0.883 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCN1CCOC1=O ZINC000852751925 712612909 /nfs/dbraw/zinc/61/29/09/712612909.db2.gz PEPQUZOMIJOCEB-UHFFFAOYSA-N 1 0 240.303 0.410 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1ccc(OCC(N)=O)cc1 ZINC000123001246 712623592 /nfs/dbraw/zinc/62/35/92/712623592.db2.gz UZNXCPBZGLCYDU-JTQLQIEISA-N 1 0 232.283 0.662 20 30 BCEDRO C#CC1(F)CN(C(=O)[C@H]2CCC[N@@H+]2C2CC2)C1 ZINC000881940967 712635119 /nfs/dbraw/zinc/63/51/19/712635119.db2.gz TVCSECKWJRKGQS-LLVKDONJSA-N 1 0 236.290 0.797 20 30 BCEDRO N#CCCOCC[NH2+][C@H](CO)C1CCC1 ZINC000717648799 712663078 /nfs/dbraw/zinc/66/30/78/712663078.db2.gz NUBCNAWHGWLNTH-LLVKDONJSA-N 1 0 212.293 0.667 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000717698064 712665338 /nfs/dbraw/zinc/66/53/38/712665338.db2.gz BDEPOSZKSZXFSW-IRCOFANPSA-N 1 0 211.305 0.916 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@H]1CCCCO1 ZINC000717698091 712665361 /nfs/dbraw/zinc/66/53/61/712665361.db2.gz BMPZGFDGBJTBKX-IJLUTSLNSA-N 1 0 211.305 0.918 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1ccc(F)c(F)c1 ZINC000718137606 712747431 /nfs/dbraw/zinc/74/74/31/712747431.db2.gz RQRMUFGBNYELTJ-SKDRFNHKSA-N 1 0 241.237 0.582 20 30 BCEDRO C[C@H](CO)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000037888810 712781566 /nfs/dbraw/zinc/78/15/66/712781566.db2.gz QSOBVKIVTUFGET-SKDRFNHKSA-N 1 0 220.272 0.562 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](C(C)(C)O)C1 ZINC000719643543 712819300 /nfs/dbraw/zinc/81/93/00/712819300.db2.gz QJBZYUPJOFOGEO-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)C2CC(OC)C2)C1 ZINC001014856738 710613049 /nfs/dbraw/zinc/61/30/49/710613049.db2.gz PJDBJHYEUOVHDK-CXQJBGSLSA-N 1 0 238.331 0.788 20 30 BCEDRO C#C[C@H]([NH2+]CCOCCOC)[C@@H]1CCCO1 ZINC000381350302 710625421 /nfs/dbraw/zinc/62/54/21/710625421.db2.gz ASZXQYYKNHIPMG-RYUDHWBXSA-N 1 0 227.304 0.420 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCOC[C@@H]1C ZINC000381355094 710626681 /nfs/dbraw/zinc/62/66/81/710626681.db2.gz CFIRFOVZHTWTRP-WDEREUQCSA-N 1 0 247.360 0.602 20 30 BCEDRO CCC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CC1 ZINC000381497452 710646600 /nfs/dbraw/zinc/64/66/00/710646600.db2.gz BNDHMSROTSRACP-DTWKUNHWSA-N 1 0 207.277 0.404 20 30 BCEDRO C#C[C@H]([NH2+]CCn1cncn1)[C@@H]1CCCO1 ZINC000381542217 710652469 /nfs/dbraw/zinc/65/24/69/710652469.db2.gz JCYGEIUZVUHHSS-QWRGUYRKSA-N 1 0 220.276 0.049 20 30 BCEDRO CCC(C)(C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000381554768 710654394 /nfs/dbraw/zinc/65/43/94/710654394.db2.gz OFPBPLWOLKBJCW-BDAKNGLRSA-N 1 0 209.293 0.650 20 30 BCEDRO CCC(C)(C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000381554769 710655098 /nfs/dbraw/zinc/65/50/98/710655098.db2.gz OFPBPLWOLKBJCW-DTWKUNHWSA-N 1 0 209.293 0.650 20 30 BCEDRO C#C[C@H](NCc1ccn(C)n1)[C@@H]1CCCO1 ZINC000381602290 710660932 /nfs/dbraw/zinc/66/09/32/710660932.db2.gz OMFHRPZNWIITCJ-RYUDHWBXSA-N 1 0 219.288 0.691 20 30 BCEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cncn1C ZINC001038475020 710689450 /nfs/dbraw/zinc/68/94/50/710689450.db2.gz ALPOYELLCVTAAV-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C=C2CCC2)C1 ZINC001018705142 710667944 /nfs/dbraw/zinc/66/79/44/710667944.db2.gz ZNJGGAXQVGNPRN-LBPRGKRZSA-N 1 0 218.300 0.920 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(OC)no2)C1 ZINC001018744780 710669394 /nfs/dbraw/zinc/66/93/94/710669394.db2.gz DSJUXAVIYJWSCZ-VIFPVBQESA-N 1 0 249.270 0.121 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)C(=O)N(C)C)[C@@H]1CCCO1 ZINC000393750006 710671942 /nfs/dbraw/zinc/67/19/42/710671942.db2.gz BLHZXMFYQJRZQN-DCAQKATOSA-N 1 0 224.304 0.234 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001038224026 710681371 /nfs/dbraw/zinc/68/13/71/710681371.db2.gz FBTPXZRWTPLSJN-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO CC#CCN1CC[C@@H]1CNC(=O)c1cc[nH]c1 ZINC001038289924 710682051 /nfs/dbraw/zinc/68/20/51/710682051.db2.gz RWSPOIJUJDIACB-GFCCVEGCSA-N 1 0 231.299 0.842 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001038454786 710687844 /nfs/dbraw/zinc/68/78/44/710687844.db2.gz BSMJXRJBEKVISQ-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@@H](C)CC1(C)C ZINC000380387213 712900524 /nfs/dbraw/zinc/90/05/24/712900524.db2.gz ZUUIIHPSZCDPBG-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)c1cccnn1 ZINC001038844579 710711694 /nfs/dbraw/zinc/71/16/94/710711694.db2.gz LTUNZXJBAANJDV-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1ccn(C)n1 ZINC001039019883 710717924 /nfs/dbraw/zinc/71/79/24/710717924.db2.gz TYZKZNVLTCEYFR-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1[nH]cnc1C ZINC001039086318 710720177 /nfs/dbraw/zinc/72/01/77/710720177.db2.gz KOBOKANKKMIHHD-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[N@H+]1CC[C@@]2(CCN(C(=O)CC)C2)C1 ZINC001040960876 710761137 /nfs/dbraw/zinc/76/11/37/710761137.db2.gz NFRZVYDOMCLUKX-CYBMUJFWSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[N@H+]1CC[C@]2(CCN(C(=O)[C@H](C)C#N)C2)C1 ZINC001041144844 710763741 /nfs/dbraw/zinc/76/37/41/710763741.db2.gz AUXGMMDJFPKAGH-OCCSQVGLSA-N 1 0 245.326 0.704 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2CCN(C(=O)COC)C[C@H]21 ZINC001041871758 710771479 /nfs/dbraw/zinc/77/14/79/710771479.db2.gz FTHQSQONCRFEDG-NWDGAFQWSA-N 1 0 236.315 0.189 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2nc[nH]n2)[C@H](C)C1 ZINC001044780221 710830487 /nfs/dbraw/zinc/83/04/87/710830487.db2.gz DEZVGTGFFBEVAB-ZJUUUORDSA-N 1 0 249.318 0.573 20 30 BCEDRO C#CCN1CC(N(C)C(=O)[C@@H]2CCCC[N@@H+]2C)C1 ZINC001043094641 710803017 /nfs/dbraw/zinc/80/30/17/710803017.db2.gz ANMAIGJORVMWFJ-ZDUSSCGKSA-N 1 0 249.358 0.247 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N1CCN(C)CC1 ZINC000384192590 710813297 /nfs/dbraw/zinc/81/32/97/710813297.db2.gz HTTSSQMYOFZLIE-CYBMUJFWSA-N 1 0 237.347 0.152 20 30 BCEDRO CC#CCN1CC(N(C)C(=O)C[NH+]2CCCC2)C1 ZINC001044296900 710823445 /nfs/dbraw/zinc/82/34/45/710823445.db2.gz QSEHLGBHSUOUAZ-UHFFFAOYSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccon2)[C@@H](C)C1 ZINC001044481399 710828105 /nfs/dbraw/zinc/82/81/05/710828105.db2.gz GALXTZRKQDLEBY-QWRGUYRKSA-N 1 0 247.298 0.891 20 30 BCEDRO C#CCN1CC[C@](C)(NC(=O)c2cn(C)cn2)C1 ZINC001046240155 710856944 /nfs/dbraw/zinc/85/69/44/710856944.db2.gz YCCKAKJKPQUFBB-ZDUSSCGKSA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2cnnn2C)C1 ZINC001046284557 710858890 /nfs/dbraw/zinc/85/88/90/710858890.db2.gz UIMVAWUNUPTVAS-LBPRGKRZSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2CC2(F)F)C1 ZINC001046299899 710859433 /nfs/dbraw/zinc/85/94/33/710859433.db2.gz STIKHDYZCUGTBI-ONGXEEELSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001046540902 710861267 /nfs/dbraw/zinc/86/12/67/710861267.db2.gz IZZBWDOBYVQRAM-WZRBSPASSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2cnn(C)n2)C1 ZINC001046698059 710864633 /nfs/dbraw/zinc/86/46/33/710864633.db2.gz BKDSCESHMULJEU-LBPRGKRZSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H]3C[C@@H]3C)C[C@H]2C1 ZINC001048656287 710883943 /nfs/dbraw/zinc/88/39/43/710883943.db2.gz CBBXAEGTTITMIU-WUHRBBMRSA-N 1 0 232.327 0.666 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccc[nH]3)C[C@H]2C1 ZINC001048677121 710885374 /nfs/dbraw/zinc/88/53/74/710885374.db2.gz KWHBHWJHHIOFJB-TXEJJXNPSA-N 1 0 243.310 0.652 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2CN(C(=O)[C@@H](C)OC)C[C@H]2C1 ZINC001048708059 710886373 /nfs/dbraw/zinc/88/63/73/710886373.db2.gz AYXWWEVSJUQIHC-UTUOFQBUSA-N 1 0 238.331 0.598 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)c2cnon2)CC1 ZINC001052809582 710919048 /nfs/dbraw/zinc/91/90/48/710919048.db2.gz JJZSEXOJZFAINK-JTQLQIEISA-N 1 0 248.286 0.287 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)C2CC2)C[C@@H]1C ZINC001054310164 710926876 /nfs/dbraw/zinc/92/68/76/710926876.db2.gz AJLWUNILGRBNRA-GXSJLCMTSA-N 1 0 206.289 0.466 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)CSC)C[C@@H]1C ZINC001054361858 710931961 /nfs/dbraw/zinc/93/19/61/710931961.db2.gz VWNZSUAPQHMCLH-VHSXEESVSA-N 1 0 228.361 0.972 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C ZINC001054415256 710934408 /nfs/dbraw/zinc/93/44/08/710934408.db2.gz NEBBACAHLCCRSL-KOLCDFICSA-N 1 0 232.287 0.093 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cccn2C)C[C@@H]1C ZINC001054396279 710934415 /nfs/dbraw/zinc/93/44/15/710934415.db2.gz OXKLAHOGNPTDDQ-RYUDHWBXSA-N 1 0 245.326 0.708 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)Cc2ccon2)C[C@H]1C ZINC001054482622 710935863 /nfs/dbraw/zinc/93/58/63/710935863.db2.gz NHILFEMPTHZNMJ-PWSUYJOCSA-N 1 0 247.298 0.287 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@@H]1C ZINC001054472053 710935924 /nfs/dbraw/zinc/93/59/24/710935924.db2.gz ZQOODGHKHWSPHA-JOYOIKCWSA-N 1 0 248.330 0.954 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@H]1C ZINC001054471739 710936082 /nfs/dbraw/zinc/93/60/82/710936082.db2.gz YXPCSUQABQZZOY-BXKDBHETSA-N 1 0 246.314 0.401 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@@H]1C ZINC001054472051 710936227 /nfs/dbraw/zinc/93/62/27/710936227.db2.gz ZQOODGHKHWSPHA-CABZTGNLSA-N 1 0 248.330 0.954 20 30 BCEDRO CC[NH2+][C@@H]1CN(C(=O)c2cc(C#N)c[nH]2)C[C@@H]1C ZINC001054536085 710937263 /nfs/dbraw/zinc/93/72/63/710937263.db2.gz YQYNZTAXMMPRJV-JOYOIKCWSA-N 1 0 246.314 0.956 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cn(C)cn2)C[C@@H]1C ZINC001054554144 710937962 /nfs/dbraw/zinc/93/79/62/710937962.db2.gz BBIJWXJWVCVTNS-WDEREUQCSA-N 1 0 248.330 0.656 20 30 BCEDRO CC[NH2+][C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@@H]1C ZINC001054566277 710938524 /nfs/dbraw/zinc/93/85/24/710938524.db2.gz AFMFEWITCSFSPL-JOYOIKCWSA-N 1 0 246.314 0.956 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cncnc2)C[C@@H]1C ZINC001054588817 710939136 /nfs/dbraw/zinc/93/91/36/710939136.db2.gz LJHFSBORTIKWTD-CMPLNLGQSA-N 1 0 244.298 0.160 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cncnc2)C[C@H]1C ZINC001054588821 710939175 /nfs/dbraw/zinc/93/91/75/710939175.db2.gz LJHFSBORTIKWTD-PWSUYJOCSA-N 1 0 244.298 0.160 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2coc(C)n2)C[C@H]1C ZINC001054588515 710939454 /nfs/dbraw/zinc/93/94/54/710939454.db2.gz QXBRHIPZOXOUFS-KOLCDFICSA-N 1 0 247.298 0.666 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2cnco2)C[C@H]1C ZINC001054946378 710942817 /nfs/dbraw/zinc/94/28/17/710942817.db2.gz MQGGSYSMUPGBTH-NXEZZACHSA-N 1 0 235.287 0.911 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C ZINC001054998268 710944266 /nfs/dbraw/zinc/94/42/66/710944266.db2.gz YSQJOUMSOGBMJH-ZYHUDNBSSA-N 1 0 247.298 0.287 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)c2ccon2)CC1 ZINC001052225186 710963351 /nfs/dbraw/zinc/96/33/51/710963351.db2.gz QFEDUWXBSSPTNK-NSHDSACASA-N 1 0 247.298 0.892 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@@H]2CC=CC[C@@H]2C1 ZINC000382489422 710971737 /nfs/dbraw/zinc/97/17/37/710971737.db2.gz ZHPAWFGJCXKRLU-TXEJJXNPSA-N 1 0 218.300 0.634 20 30 BCEDRO CC[NH+](CC)CCNC(=O)C=NOC ZINC000383914535 710986693 /nfs/dbraw/zinc/98/66/93/710986693.db2.gz ASLACGWXJODVFD-UHFFFAOYSA-N 1 0 201.270 0.077 20 30 BCEDRO CC(C)[N@H+](C)C[C@@H](O)CN1CCC[C@H](C#N)C1 ZINC000383991821 710987927 /nfs/dbraw/zinc/98/79/27/710987927.db2.gz NHRNTRINIVFBQC-CHWSQXEVSA-N 1 0 239.363 0.923 20 30 BCEDRO C[C@H](C#N)OCCN1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384881486 710999412 /nfs/dbraw/zinc/99/94/12/710999412.db2.gz JXLTXULKGCEWHN-WYUUTHIRSA-N 1 0 223.320 0.407 20 30 BCEDRO C#C[C@](C)(CC)NC[C@@H](O)C[N@H+](C)C1CC1 ZINC000384139771 710989861 /nfs/dbraw/zinc/98/98/61/710989861.db2.gz FMKMIZXYJKJJLG-CHWSQXEVSA-N 1 0 224.348 0.833 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N(C)C1CC1 ZINC000384178856 710991909 /nfs/dbraw/zinc/99/19/09/710991909.db2.gz PFMRFCIWBVEKQS-GFCCVEGCSA-N 1 0 208.305 0.999 20 30 BCEDRO CC1(C)[C@H](O)C[C@@H]1[NH2+]CCOCCC#N ZINC000385225791 711008632 /nfs/dbraw/zinc/00/86/32/711008632.db2.gz MKYZCJQENOSUEN-VHSXEESVSA-N 1 0 212.293 0.666 20 30 BCEDRO C=CCONC[C@H](O)C[NH+]1CCCC1 ZINC000387174001 711041539 /nfs/dbraw/zinc/04/15/39/711041539.db2.gz IITBPCCZSCEWGV-JTQLQIEISA-N 1 0 200.282 0.150 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCSC[C@H]1CO ZINC000388593267 711062575 /nfs/dbraw/zinc/06/25/75/711062575.db2.gz INFKNULCWFNGFF-VHSXEESVSA-N 1 0 230.333 0.325 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCSC[C@@H]1CO ZINC000388593271 711062706 /nfs/dbraw/zinc/06/27/06/711062706.db2.gz INFKNULCWFNGFF-ZJUUUORDSA-N 1 0 230.333 0.325 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](NC(C)=O)[C@@H](n2ccnn2)C1 ZINC001069886162 711076957 /nfs/dbraw/zinc/07/69/57/711076957.db2.gz OTPNPVPRVATWGE-NEPJUHHUSA-N 1 0 249.318 0.216 20 30 BCEDRO CN(C)C(=O)CCCNC1=[NH+]CCCN1C ZINC000390325875 711112762 /nfs/dbraw/zinc/11/27/62/711112762.db2.gz YUAWWRZTVUNAAK-UHFFFAOYSA-N 1 0 226.324 0.136 20 30 BCEDRO CCNC(NCCc1cnccn1)=[NH+]CC ZINC000390380152 711113567 /nfs/dbraw/zinc/11/35/67/711113567.db2.gz BAZKCMRLOMUPHO-UHFFFAOYSA-N 1 0 221.308 0.594 20 30 BCEDRO CC(C)(C)[C@H](CO)[NH2+]CC(=O)NCCC#N ZINC000390359007 711114082 /nfs/dbraw/zinc/11/40/82/711114082.db2.gz RGLYYPGBPRDAKU-VIFPVBQESA-N 1 0 227.308 0.013 20 30 BCEDRO CC[N@H+](CCO[C@H](C)C#N)CCC(=O)OC ZINC000390416447 711115487 /nfs/dbraw/zinc/11/54/87/711115487.db2.gz MGUXKWNQSFPOFS-SNVBAGLBSA-N 1 0 228.292 0.800 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCCOC(C)(C)C1 ZINC000390512251 711122969 /nfs/dbraw/zinc/12/29/69/711122969.db2.gz BYOIUIYBHYKBRK-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CCC[C@@H](C#N)C1 ZINC000390610673 711128057 /nfs/dbraw/zinc/12/80/57/711128057.db2.gz ZPCNDJPZAKNGSK-RYUDHWBXSA-N 1 0 225.336 0.535 20 30 BCEDRO CC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCC1 ZINC000390755253 711132357 /nfs/dbraw/zinc/13/23/57/711132357.db2.gz GXABJARWQQMHSB-DTWKUNHWSA-N 1 0 207.277 0.404 20 30 BCEDRO CSC[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000390778929 711133614 /nfs/dbraw/zinc/13/36/14/711133614.db2.gz HRPAZPWCQJCLTN-DJLDLDEBSA-N 1 0 227.333 0.213 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(C)=O)C[C@H]1c1cn(C)cn1 ZINC001070450460 711138704 /nfs/dbraw/zinc/13/87/04/711138704.db2.gz GLDMLRGVPVUVQO-WCQYABFASA-N 1 0 248.330 0.510 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](C)CCOC ZINC000392899526 711153226 /nfs/dbraw/zinc/15/32/26/711153226.db2.gz OZYNHMYAKBUXFD-GFCCVEGCSA-N 1 0 212.337 0.956 20 30 BCEDRO N#CCCNC(=O)C[NH2+]C1(C2CC2)CC1 ZINC000393635643 711167642 /nfs/dbraw/zinc/16/76/42/711167642.db2.gz YCYXRJIFRQIONL-UHFFFAOYSA-N 1 0 207.277 0.548 20 30 BCEDRO C#Cc1ccc(C[NH2+]C(CO)CO)cc1 ZINC000393633562 711168682 /nfs/dbraw/zinc/16/86/82/711168682.db2.gz SUERRLYXGVMHMI-UHFFFAOYSA-N 1 0 205.257 0.111 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)C1CC1 ZINC000393688650 711169760 /nfs/dbraw/zinc/16/97/60/711169760.db2.gz XWAIOCBYBZCFGS-VIFPVBQESA-N 1 0 217.334 0.975 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+]C1(C(N)=O)CCCC1 ZINC000393806488 711176258 /nfs/dbraw/zinc/17/62/58/711176258.db2.gz PJBYHCCRMDHLLY-VIFPVBQESA-N 1 0 225.292 0.303 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H]1OC ZINC000393834182 711177137 /nfs/dbraw/zinc/17/71/37/711177137.db2.gz ONJUVHBZNWEVMN-UWVGGRQHSA-N 1 0 212.293 0.446 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H](NC(C)=O)CC[C@H]1C ZINC001071289787 711186406 /nfs/dbraw/zinc/18/64/06/711186406.db2.gz XJJSFZFWYMTXKL-PWSUYJOCSA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(C)C[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@@H]1C ZINC001071788708 711202506 /nfs/dbraw/zinc/20/25/06/711202506.db2.gz JGZDMLQLGFAUQA-UWVGGRQHSA-N 1 0 239.319 0.017 20 30 BCEDRO C=CC[N@H+]1C[C@@H](NC(=O)c2nnc[nH]2)CC[C@H]1C ZINC001071907486 711208901 /nfs/dbraw/zinc/20/89/01/711208901.db2.gz AAGSENRBZQIDDT-ZJUUUORDSA-N 1 0 249.318 0.573 20 30 BCEDRO CCNC(NCCC[S@](C)=O)=[NH+]CC ZINC000395550720 711212935 /nfs/dbraw/zinc/21/29/35/711212935.db2.gz TUBXGNIFKAFXLP-AWEZNQCLSA-N 1 0 219.354 0.330 20 30 BCEDRO CCNC(NC[C@@H]1CCC[C@H]1O)=[NH+]CC ZINC000395640780 711214965 /nfs/dbraw/zinc/21/49/65/711214965.db2.gz UBGYYKVTARIXFN-VHSXEESVSA-N 1 0 213.325 0.722 20 30 BCEDRO CCNC(NCC[C@H](C)OC)=[NH+]CC ZINC000395803635 711215363 /nfs/dbraw/zinc/21/53/63/711215363.db2.gz GIHXCUCZWWDIJV-VIFPVBQESA-N 1 0 201.314 0.986 20 30 BCEDRO N#C[C@@H]1CCC[N@@H+](CC[C@H]2CCNC2=O)C1 ZINC000395844264 711217232 /nfs/dbraw/zinc/21/72/32/711217232.db2.gz JSIMEIZFVWVBFJ-WDEREUQCSA-N 1 0 221.304 0.748 20 30 BCEDRO CCNC(NCCCCCO)=[NH+]CC ZINC000395832242 711217290 /nfs/dbraw/zinc/21/72/90/711217290.db2.gz YBYSXOBIJYGJDN-UHFFFAOYSA-N 1 0 201.314 0.724 20 30 BCEDRO N#C[C@@H]1CCC[N@@H+](CC[C@@H]2CCNC2=O)C1 ZINC000395844263 711217676 /nfs/dbraw/zinc/21/76/76/711217676.db2.gz JSIMEIZFVWVBFJ-QWRGUYRKSA-N 1 0 221.304 0.748 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@H]3CC34CC4)C2)C1 ZINC001073012422 711430652 /nfs/dbraw/zinc/43/06/52/711430652.db2.gz QGLYNVJYYOEZJJ-GFCCVEGCSA-N 1 0 244.338 0.954 20 30 BCEDRO CCOC(=O)CC[N@H+](C)CCO[C@@H](C)C#N ZINC000380797280 710591294 /nfs/dbraw/zinc/59/12/94/710591294.db2.gz JWYIOSZUOORSLX-JTQLQIEISA-N 1 0 228.292 0.800 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)C2CC(OC)C2)C1 ZINC001014856739 710612620 /nfs/dbraw/zinc/61/26/20/710612620.db2.gz PJDBJHYEUOVHDK-MOENNCHZSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cn[nH]c2)C1 ZINC001020004565 710673495 /nfs/dbraw/zinc/67/34/95/710673495.db2.gz PFUMFRLBHGXHSD-MGCOHNPYSA-N 1 0 220.276 0.446 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H]2C[C@@H](OC)C2)CC1 ZINC000721909942 710690865 /nfs/dbraw/zinc/69/08/65/710690865.db2.gz HLYPNBDSDMRTRL-TXEJJXNPSA-N 1 0 223.316 0.872 20 30 BCEDRO C#CCN1CC[C@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038655765 710699058 /nfs/dbraw/zinc/69/90/58/710699058.db2.gz BOAHQPRDGRXAQX-ZDUSSCGKSA-N 1 0 249.358 0.152 20 30 BCEDRO C#C[C@H]([NH2+]CCCC(=O)OC)[C@H]1CCCO1 ZINC000381758740 710702824 /nfs/dbraw/zinc/70/28/24/710702824.db2.gz SXYPMDQCFXSEDM-WDEREUQCSA-N 1 0 225.288 0.710 20 30 BCEDRO CC#CCN1CC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001038797947 710705023 /nfs/dbraw/zinc/70/50/23/710705023.db2.gz WESJHTMNLXBELS-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001038793226 710705153 /nfs/dbraw/zinc/70/51/53/710705153.db2.gz RNCXSKGKTRYMLG-SNVBAGLBSA-N 1 0 234.303 0.708 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)C(N)=O)[C@@H](C)C1 ZINC001044722653 710829421 /nfs/dbraw/zinc/82/94/21/710829421.db2.gz OAXOYWGMWDMXRB-UWVGGRQHSA-N 1 0 239.319 0.017 20 30 BCEDRO CC[NH2+]C[C@@H]1CCCN1C(=O)[C@@H](C)C#N ZINC001044961765 710833766 /nfs/dbraw/zinc/83/37/66/710833766.db2.gz TUAAHZJQSZIYQT-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@@H](C)C(=O)NCCCOC ZINC000384218750 710835140 /nfs/dbraw/zinc/83/51/40/710835140.db2.gz RMWRHAIMXMTMKT-AAEUAGOBSA-N 1 0 240.347 0.919 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N2CCN(C(=O)CC)CC2)C1 ZINC001045987848 710843822 /nfs/dbraw/zinc/84/38/22/710843822.db2.gz CYHGVDXYWXADEP-CYBMUJFWSA-N 1 0 249.358 0.248 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2ccn[nH]2)C1 ZINC001046163337 710852642 /nfs/dbraw/zinc/85/26/42/710852642.db2.gz XTLIHYUGPCXLGX-LBPRGKRZSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccc[nH]2)C[C@@H]1C ZINC001054377914 710932815 /nfs/dbraw/zinc/93/28/15/710932815.db2.gz QBRGWGVSUPGGHX-CMPLNLGQSA-N 1 0 231.299 0.698 20 30 BCEDRO C=CC(C)(C)C(=O)N1C[C@H]([NH2+]CCO)[C@@H](C)C1 ZINC001054976307 710943138 /nfs/dbraw/zinc/94/31/38/710943138.db2.gz KOQNFIYFTOKJIK-QWRGUYRKSA-N 1 0 240.347 0.627 20 30 BCEDRO C#CC[NH+]1CCC2(CN(C(=O)C(F)F)C2)CC1 ZINC001050398250 710952061 /nfs/dbraw/zinc/95/20/61/710952061.db2.gz OATBGAJUGWBYGO-UHFFFAOYSA-N 1 0 242.269 0.809 20 30 BCEDRO CNC(NCCOCC(F)(F)F)=[NH+]C ZINC000386509823 711032036 /nfs/dbraw/zinc/03/20/36/711032036.db2.gz WZCIOELDBQEPMX-UHFFFAOYSA-N 1 0 213.203 0.360 20 30 BCEDRO C#CC[N@@H+](C)CCCNCc1ccnc(OC)n1 ZINC000395176900 711205184 /nfs/dbraw/zinc/20/51/84/711205184.db2.gz GIVMJYDHVUKIKC-UHFFFAOYSA-N 1 0 248.330 0.530 20 30 BCEDRO C#CCC[N@H+]1CCC2(CN(C(=O)C3CC3)C2)C1 ZINC001072378163 711363203 /nfs/dbraw/zinc/36/32/03/711363203.db2.gz DYAJAQFSXYDAPW-UHFFFAOYSA-N 1 0 232.327 0.954 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@H](C)[C@H](C)[C@@H]1C ZINC000399532174 711432168 /nfs/dbraw/zinc/43/21/68/711432168.db2.gz SQKOEKFJDAKSCC-DCAQKATOSA-N 1 0 208.305 0.712 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](C)OC)[C@H]1C ZINC001074551006 711443243 /nfs/dbraw/zinc/44/32/43/711443243.db2.gz PRBGFFFYXSBNES-DCAQKATOSA-N 1 0 224.304 0.234 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H](CC)OC)[C@H]1C ZINC001074557807 711443554 /nfs/dbraw/zinc/44/35/54/711443554.db2.gz YHAYNKGQUZFKQU-SRVKXCTJSA-N 1 0 238.331 0.624 20 30 BCEDRO COCc1cccc(C=NNC(N)=[NH2+])c1 ZINC000252665051 711448771 /nfs/dbraw/zinc/44/87/71/711448771.db2.gz BCKVZTDKYRHNSC-UHFFFAOYSA-N 1 0 206.249 0.650 20 30 BCEDRO C[C@H](CC#N)[NH2+]CCCN1CCOC1=O ZINC000067406957 711452014 /nfs/dbraw/zinc/45/20/14/711452014.db2.gz PQTXIPRDRHDEEQ-SECBINFHSA-N 1 0 211.265 0.720 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@]23C[C@H]2C[C@H]([NH3+])C3)C1 ZINC000713420109 711454453 /nfs/dbraw/zinc/45/44/53/711454453.db2.gz TXAIDTWNPSVITA-URBCHYCLSA-N 1 0 233.315 0.876 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2csnn2)C1 ZINC001020443081 711454487 /nfs/dbraw/zinc/45/44/87/711454487.db2.gz KEXCKNPQKFYYPV-ZKCHVHJHSA-N 1 0 238.316 0.575 20 30 BCEDRO Cc1cc(N2CCN(CCC#N)CC2)nc(N)[nH+]1 ZINC000038869350 711497380 /nfs/dbraw/zinc/49/73/80/711497380.db2.gz LFKOFGFPYGMZPA-UHFFFAOYSA-N 1 0 246.318 0.403 20 30 BCEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cnnn1C ZINC001038221518 711539687 /nfs/dbraw/zinc/53/96/87/711539687.db2.gz MPQYGNPULPUBNG-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO CC[C@@H](O)CN[NH+]=C(C)c1ccc(N)nc1 ZINC000382385618 711573234 /nfs/dbraw/zinc/57/32/34/711573234.db2.gz KQPSWNWGWQVCQK-SNVBAGLBSA-N 1 0 222.292 0.579 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]2[C@@H]1CCCN2CCO ZINC000934261253 711579249 /nfs/dbraw/zinc/57/92/49/711579249.db2.gz DJGJDURTNBTLHD-QWHCGFSZSA-N 1 0 222.332 0.541 20 30 BCEDRO CCNC(NC[C@@H]1C[C@@H]2COC[C@@H]2O1)=[NH+]CC ZINC000724541121 711587103 /nfs/dbraw/zinc/58/71/03/711587103.db2.gz IZIHTYPOYGLRSP-VWYCJHECSA-N 1 0 241.335 0.365 20 30 BCEDRO N#Cc1cncc(C[N@H+]2CCC[C@@H]2CO)c1 ZINC000721543045 711620252 /nfs/dbraw/zinc/62/02/52/711620252.db2.gz VZZDISNWXDSXHK-GFCCVEGCSA-N 1 0 217.272 0.910 20 30 BCEDRO C#C[C@H]([NH2+]CCOCC=C)[C@H]1CCCO1 ZINC000382290124 711621075 /nfs/dbraw/zinc/62/10/75/711621075.db2.gz KSSPVZCSXKPTIH-NWDGAFQWSA-N 1 0 209.289 0.959 20 30 BCEDRO C#C[C@H]([NH2+]CCOCC=C)[C@@H]1CCCO1 ZINC000382290126 711621385 /nfs/dbraw/zinc/62/13/85/711621385.db2.gz KSSPVZCSXKPTIH-RYUDHWBXSA-N 1 0 209.289 0.959 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccncn2)C1 ZINC000972567383 711633205 /nfs/dbraw/zinc/63/32/05/711633205.db2.gz GOTYQYOPTAADED-LLVKDONJSA-N 1 0 244.298 0.256 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C3CCC3)[C@@H]2C1 ZINC001075475638 711649950 /nfs/dbraw/zinc/64/99/50/711649950.db2.gz VODHAPOOQZVDQL-QWHCGFSZSA-N 1 0 232.327 0.952 20 30 BCEDRO C#C[C@H]([NH2+]CC#CCOC)[C@@H]1CCCO1 ZINC000308950152 711653531 /nfs/dbraw/zinc/65/35/31/711653531.db2.gz OUGCFKXRVXSLJB-RYUDHWBXSA-N 1 0 207.273 0.407 20 30 BCEDRO COC[C@](C)(CO)[NH2+]Cc1cncc(C#N)c1 ZINC000721588302 711654109 /nfs/dbraw/zinc/65/41/09/711654109.db2.gz YKJRSHFDLFYUND-LBPRGKRZSA-N 1 0 235.287 0.440 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)[C@H]2CCOC2)C1 ZINC001006881797 711655967 /nfs/dbraw/zinc/65/59/67/711655967.db2.gz NQBORKCSDBOWMG-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C[C@@H](C#N)OCC[NH+]1CCC(CO)CC1 ZINC000393729010 711676873 /nfs/dbraw/zinc/67/68/73/711676873.db2.gz DOGVAGUUZLITOL-JTQLQIEISA-N 1 0 212.293 0.619 20 30 BCEDRO C#CCCC[NH2+][C@@](C)(COC)CC(=O)OC ZINC000393780337 711678129 /nfs/dbraw/zinc/67/81/29/711678129.db2.gz JITSYZOIHFTIAO-GFCCVEGCSA-N 1 0 227.304 0.958 20 30 BCEDRO CO[C@H](C)C[N@H+](C)CCOCCC#N ZINC000385240257 711683607 /nfs/dbraw/zinc/68/36/07/711683607.db2.gz PULOEGQRZODWKD-SNVBAGLBSA-N 1 0 200.282 0.883 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](O)CC(C)(C)C1 ZINC000395313471 711693881 /nfs/dbraw/zinc/69/38/81/711693881.db2.gz HUJCJVSNZDHBNI-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO CCNC(NCC[C@H](C)[S@@](C)=O)=[NH+]CC ZINC000395556739 711695540 /nfs/dbraw/zinc/69/55/40/711695540.db2.gz XMJWYFIOIOLJOH-BJOHPYRUSA-N 1 0 233.381 0.719 20 30 BCEDRO CCNC(NCC1(CCO)CC1)=[NH+]CC ZINC000395635968 711696153 /nfs/dbraw/zinc/69/61/53/711696153.db2.gz RQNYBFORDUNKAH-UHFFFAOYSA-N 1 0 213.325 0.724 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H]1CNC(=O)c1ncc[nH]1 ZINC001027872253 711739728 /nfs/dbraw/zinc/73/97/28/711739728.db2.gz OBCMUMXAFNIMBZ-JTQLQIEISA-N 1 0 234.303 0.790 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)OC)[C@@H]2C1 ZINC001075590636 711747367 /nfs/dbraw/zinc/74/73/67/711747367.db2.gz AJOSYKMPOQLUTB-GRYCIOLGSA-N 1 0 236.315 0.187 20 30 BCEDRO C[NH+](C)CCNc1ncc([N+](=O)[O-])cc1C#N ZINC000048935341 711751924 /nfs/dbraw/zinc/75/19/24/711751924.db2.gz JBTRMWUOGQETJH-UHFFFAOYSA-N 1 0 235.247 0.835 20 30 BCEDRO C=C(Cl)CN1CCC[C@@]([NH3+])(CO)C1 ZINC000725620718 711752649 /nfs/dbraw/zinc/75/26/49/711752649.db2.gz LYSQGYZRENRFBQ-VIFPVBQESA-N 1 0 204.701 0.525 20 30 BCEDRO CNC(=[NH2+])NC[C@H]1CCCO[C@H]1C(C)C ZINC000178561260 711759191 /nfs/dbraw/zinc/75/91/91/711759191.db2.gz ZADXLKFPUGBDDH-ZJUUUORDSA-N 1 0 213.325 0.972 20 30 BCEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001038162542 711761020 /nfs/dbraw/zinc/76/10/20/711761020.db2.gz SVRZDAAYQARAHY-NSHDSACASA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC001075774756 711774338 /nfs/dbraw/zinc/77/43/38/711774338.db2.gz PBFXKPPILDSYGI-UONOGXRCSA-N 1 0 242.322 0.566 20 30 BCEDRO CCCCNC(=[NH2+])NC[C@H]1CCCS1(=O)=O ZINC000305061701 711785675 /nfs/dbraw/zinc/78/56/75/711785675.db2.gz GLEPXUSLJPBYDQ-SECBINFHSA-N 1 0 247.364 0.268 20 30 BCEDRO [NH2+]=C(NCCCO[C@H]1CCOC1)NC1CC1 ZINC000305039525 711785715 /nfs/dbraw/zinc/78/57/15/711785715.db2.gz UWJCKICZRIKSEB-JTQLQIEISA-N 1 0 227.308 0.249 20 30 BCEDRO C#CC[N@@H+](C)C1CCN(C(=O)c2cnco2)CC1 ZINC000985558421 711786285 /nfs/dbraw/zinc/78/62/85/711786285.db2.gz IYTDPMPEGINSMK-UHFFFAOYSA-N 1 0 247.298 0.844 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cncn2C)[C@H]1C ZINC000986494898 711788420 /nfs/dbraw/zinc/78/84/20/711788420.db2.gz INRQHDCXUBRHEP-WDEREUQCSA-N 1 0 246.314 0.246 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cncn2C)[C@@H]1C ZINC000986495046 711788439 /nfs/dbraw/zinc/78/84/39/711788439.db2.gz JXAUYSBSGNHAKW-GHMZBOCLSA-N 1 0 248.330 0.799 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@H](O)CC(C)(C)O ZINC000872214506 711789440 /nfs/dbraw/zinc/78/94/40/711789440.db2.gz YZBDVMWOONFVRA-GHMZBOCLSA-N 1 0 231.336 0.425 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2n[nH]nc2C)[C@H]1C ZINC000986646711 711789737 /nfs/dbraw/zinc/78/97/37/711789737.db2.gz YFWVXWXBICXQGT-VHSXEESVSA-N 1 0 249.318 0.492 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001038059408 711794949 /nfs/dbraw/zinc/79/49/49/711794949.db2.gz ZXLRYCRAFYOYHK-NSHDSACASA-N 1 0 231.299 0.842 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001038108840 711795460 /nfs/dbraw/zinc/79/54/60/711795460.db2.gz FXYGTSSFFYTXEL-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]CCN2)cc1OC ZINC000255985996 711796799 /nfs/dbraw/zinc/79/67/99/711796799.db2.gz LQPMXOJJHQRTOU-UHFFFAOYSA-N 1 0 248.286 0.587 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cn2nccn2)C1 ZINC000988887699 711797419 /nfs/dbraw/zinc/79/74/19/711797419.db2.gz WPWODQJMNWYFMP-WDEREUQCSA-N 1 0 249.318 0.043 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](O)[C@H](NC(=O)C2CC=CC2)C1 ZINC001076824866 711809180 /nfs/dbraw/zinc/80/91/80/711809180.db2.gz AIHJPXDFTAPVKN-CHWSQXEVSA-N 1 0 248.326 0.137 20 30 BCEDRO C#CCCCN1CC[NH+](CC(C)(C)O)CC1 ZINC000161117096 711810724 /nfs/dbraw/zinc/81/07/24/711810724.db2.gz CIXYVSVOOIGSMF-UHFFFAOYSA-N 1 0 224.348 0.788 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@H]1CC12CC2 ZINC000913523105 711823154 /nfs/dbraw/zinc/82/31/54/711823154.db2.gz MELISSSXXSGMAZ-SNVBAGLBSA-N 1 0 206.289 0.468 20 30 BCEDRO CCCn1nccc1C(=O)NCC#CC[NH+](C)C ZINC000913524364 711823275 /nfs/dbraw/zinc/82/32/75/711823275.db2.gz KFXGRYBFYNKDBD-UHFFFAOYSA-N 1 0 248.330 0.588 20 30 BCEDRO CCc1noc(C)c1C(=O)NCC#CC[NH+](C)C ZINC000913515591 711823392 /nfs/dbraw/zinc/82/33/92/711823392.db2.gz DKGKGGDYNQZALQ-UHFFFAOYSA-N 1 0 249.314 0.840 20 30 BCEDRO CCn1cnc(C(=O)NCC#CC[NH+](C)C)c1 ZINC000913524449 711823451 /nfs/dbraw/zinc/82/34/51/711823451.db2.gz MXGPMRHESDRDJD-UHFFFAOYSA-N 1 0 234.303 0.198 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001046277404 711852500 /nfs/dbraw/zinc/85/25/00/711852500.db2.gz HCKSTULPMKTDFL-GFCCVEGCSA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2cn(C)nn2)C1 ZINC001046277405 711852518 /nfs/dbraw/zinc/85/25/18/711852518.db2.gz HCKSTULPMKTDFL-LBPRGKRZSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001038590683 711890505 /nfs/dbraw/zinc/89/05/05/711890505.db2.gz BELZZUKBBULJIP-IJLUTSLNSA-N 1 0 220.316 0.856 20 30 BCEDRO C[C@@H]1CCC[C@H]1[NH2+]CC(=O)NCCC#N ZINC000070831007 711897399 /nfs/dbraw/zinc/89/73/99/711897399.db2.gz GWLAZOZACWVZAI-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO CC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)c1c[nH]c(C#N)c1 ZINC001032364653 711914448 /nfs/dbraw/zinc/91/44/48/711914448.db2.gz OIPFVGPNUDAJBK-RYUDHWBXSA-N 1 0 244.298 0.805 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2c[nH]nc2C)C1 ZINC000999209632 711932258 /nfs/dbraw/zinc/93/22/58/711932258.db2.gz PVDVSXSZSARLCF-UHFFFAOYSA-N 1 0 246.314 0.544 20 30 BCEDRO CC[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CCCO1 ZINC001078357895 711941486 /nfs/dbraw/zinc/94/14/86/711941486.db2.gz DKSMOSIUHYHMNT-GHMZBOCLSA-N 1 0 239.319 0.373 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(C)=O)C12CCC2 ZINC001078514568 711942982 /nfs/dbraw/zinc/94/29/82/711942982.db2.gz SBTRKPVPFWJUTA-QWRGUYRKSA-N 1 0 206.289 0.657 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)COC)C[C@H]1C ZINC001054303759 711946346 /nfs/dbraw/zinc/94/63/46/711946346.db2.gz RNMCYHRACXJOGY-ZJUUUORDSA-N 1 0 212.293 0.255 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ncc[nH]2)C[C@H]1C ZINC001054644887 711947023 /nfs/dbraw/zinc/94/70/23/711947023.db2.gz UUKJRMLFKUZFAC-ZJUUUORDSA-N 1 0 232.287 0.093 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cc(C)n[nH]1 ZINC001038090508 711958908 /nfs/dbraw/zinc/95/89/08/711958908.db2.gz OQONBYCAXSFFKP-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cnccn2)C1 ZINC001032878596 711965686 /nfs/dbraw/zinc/96/56/86/711965686.db2.gz CCSCKWDLFQCFLG-NSHDSACASA-N 1 0 246.314 0.809 20 30 BCEDRO C[N@H+](CC1(CC#N)CC1)[C@@H]1COC[C@H]1O ZINC000708745093 711970683 /nfs/dbraw/zinc/97/06/83/711970683.db2.gz DSYZKQDBISKLEL-NXEZZACHSA-N 1 0 210.277 0.372 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)nn2)C1 ZINC001033055649 711972853 /nfs/dbraw/zinc/97/28/53/711972853.db2.gz ZPJCFAPMGWLAAH-SNVBAGLBSA-N 1 0 249.318 0.147 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](N(C)C(=O)c2ncc[nH]2)C1 ZINC001033065279 711973928 /nfs/dbraw/zinc/97/39/28/711973928.db2.gz NBGBDOMSMZQCFJ-LLVKDONJSA-N 1 0 246.314 0.579 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC(C)(C)CC[C@H]1CO ZINC000701637707 712026017 /nfs/dbraw/zinc/02/60/17/712026017.db2.gz QGPLWBJDPHUHDN-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C=CCC1(NC(=O)[C@@H](N)C[NH+](C)C)CCCC1 ZINC000702390331 712049973 /nfs/dbraw/zinc/04/99/73/712049973.db2.gz HJFVJCFUSQANRU-NSHDSACASA-N 1 0 239.363 0.880 20 30 BCEDRO C#CCCCCC(=O)NC[C@]1(O)CC[N@@H+](C)C1 ZINC000702627458 712057510 /nfs/dbraw/zinc/05/75/10/712057510.db2.gz SAMVTKFNAKUXPT-CYBMUJFWSA-N 1 0 238.331 0.363 20 30 BCEDRO Cc1nc(C#N)cc(NC[C@]2(O)CC[N@@H+](C)C2)n1 ZINC000702653444 712058822 /nfs/dbraw/zinc/05/88/22/712058822.db2.gz QGGVEZOHTUWXAN-GFCCVEGCSA-N 1 0 247.302 0.135 20 30 BCEDRO C=CC[N@@H+]1CCCC[C@H](NC(=O)c2nnc[nH]2)C1 ZINC001034444482 712062576 /nfs/dbraw/zinc/06/25/76/712062576.db2.gz QKXGFVCMRNJKNT-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C[C@@]1(C#N)CCN(CCN2CCOC2=O)C1 ZINC000703278943 712069449 /nfs/dbraw/zinc/06/94/49/712069449.db2.gz MWYZIFYCCCCAIN-NSHDSACASA-N 1 0 223.276 0.674 20 30 BCEDRO C[C@]12C[NH2+]C[C@H]1CN(c1cc(C#N)ccn1)C2 ZINC000703538693 712078049 /nfs/dbraw/zinc/07/80/49/712078049.db2.gz QOQQMVZPUDVRJA-WCQYABFASA-N 1 0 228.299 0.999 20 30 BCEDRO C=CC[C@@H]1CCCN(S(=O)(=O)C2C[NH2+]C2)C1 ZINC000703692087 712083503 /nfs/dbraw/zinc/08/35/03/712083503.db2.gz XKDPJVLMQTVUBF-SNVBAGLBSA-N 1 0 244.360 0.576 20 30 BCEDRO CCCCCCCNC(=O)[C@@H](N)C[NH+](C)C ZINC000703715535 712084529 /nfs/dbraw/zinc/08/45/29/712084529.db2.gz WUUORURCVSZQKN-NSHDSACASA-N 1 0 229.368 0.962 20 30 BCEDRO C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2nnc[nH]2)CC1 ZINC001034757657 712086594 /nfs/dbraw/zinc/08/65/94/712086594.db2.gz NFOGLDRAZCFUFW-MGCOHNPYSA-N 1 0 247.302 0.069 20 30 BCEDRO C#CC1(O)CC[NH+](CC2CC(OC)C2)CC1 ZINC000703784662 712087720 /nfs/dbraw/zinc/08/77/20/712087720.db2.gz HLYPNBDSDMRTRL-UHFFFAOYSA-N 1 0 223.316 0.872 20 30 BCEDRO N#Cc1ccc(CC(=O)NCC[NH3+])cc1 ZINC000704663875 712112470 /nfs/dbraw/zinc/11/24/70/712112470.db2.gz CTYGMORGPGBHMW-UHFFFAOYSA-N 1 0 203.245 0.176 20 30 BCEDRO N#Cc1ccc(CC(=O)N[C@@H]2CCC[NH2+]C2)cc1 ZINC000704666707 712114308 /nfs/dbraw/zinc/11/43/08/712114308.db2.gz YXPGGAADKYZLHL-CYBMUJFWSA-N 1 0 243.310 0.969 20 30 BCEDRO C#CCNC(=O)CN(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000705106871 712122397 /nfs/dbraw/zinc/12/23/97/712122397.db2.gz NJMWMQKGLNANRQ-GFCCVEGCSA-N 1 0 237.347 0.009 20 30 BCEDRO N#Cc1ccccc1C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000705368904 712130971 /nfs/dbraw/zinc/13/09/71/712130971.db2.gz HPZRIBTVBXCXPW-OKILXGFUSA-N 1 0 246.310 0.591 20 30 BCEDRO C#CCN(CC#N)C(=O)C12CCC[NH+](CCC1)C2 ZINC000705908516 712139077 /nfs/dbraw/zinc/13/90/77/712139077.db2.gz IHTPBVCUSDZTBG-UHFFFAOYSA-N 1 0 245.326 0.848 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccon2)C[C@H]1C ZINC001035930706 712150542 /nfs/dbraw/zinc/15/05/42/712150542.db2.gz VQVPEHKZCLFOLV-MNOVXSKESA-N 1 0 247.298 0.748 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]n2)C[C@@H]1C ZINC001035935680 712150692 /nfs/dbraw/zinc/15/06/92/712150692.db2.gz RNQWRIDPHGRJEX-QWRGUYRKSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C ZINC001036027262 712153474 /nfs/dbraw/zinc/15/34/74/712153474.db2.gz IHVJXEXXGSTNMQ-TZMCWYRMSA-N 1 0 244.338 0.860 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@H]1C ZINC001036219149 712164660 /nfs/dbraw/zinc/16/46/60/712164660.db2.gz NFVBXUQRCMEEJJ-NXEZZACHSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnon2)C[C@@H]1C ZINC001036228221 712164685 /nfs/dbraw/zinc/16/46/85/712164685.db2.gz JBFAGTIDEZEPJM-VHSXEESVSA-N 1 0 248.286 0.143 20 30 BCEDRO CC(C)(O)[C@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000707169436 712166224 /nfs/dbraw/zinc/16/62/24/712166224.db2.gz PZKWGJFKOYDILY-SNVBAGLBSA-N 1 0 239.319 0.252 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@H](C)[C@H](C)[NH3+] ZINC000707286581 712168751 /nfs/dbraw/zinc/16/87/51/712168751.db2.gz FXRZKKAENXVUOG-ZJUUUORDSA-N 1 0 242.319 0.547 20 30 BCEDRO C#CC[NH2+]CC(=O)N[C@](C)(CCC)C(=O)OC ZINC000707364046 712169383 /nfs/dbraw/zinc/16/93/83/712169383.db2.gz RIIPVJALWAFYNE-GFCCVEGCSA-N 1 0 240.303 0.057 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H](COC)OC)CC1 ZINC000708088657 712181204 /nfs/dbraw/zinc/18/12/04/712181204.db2.gz OFHLQEFKBPZBEY-NSHDSACASA-N 1 0 227.304 0.108 20 30 BCEDRO C#CC1(O)CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000708117082 712181716 /nfs/dbraw/zinc/18/17/16/712181716.db2.gz SHVGGSXKWMSGGJ-LLVKDONJSA-N 1 0 222.288 0.375 20 30 BCEDRO C#CC1(O)CC[NH+](CC2(O)CCCC2)CC1 ZINC000708115906 712182060 /nfs/dbraw/zinc/18/20/60/712182060.db2.gz MVQAERXJFQVXJA-UHFFFAOYSA-N 1 0 223.316 0.752 20 30 BCEDRO C[C@@H](O)[C@H]1CCC[N@H+](CC(=O)NCCC#N)C1 ZINC000708422527 712193313 /nfs/dbraw/zinc/19/33/13/712193313.db2.gz GPVZATZANICCME-MNOVXSKESA-N 1 0 239.319 0.109 20 30 BCEDRO C#CCN1CC[C@H]2CC[C@@H](C1)S2(=O)=O ZINC000708826203 712200008 /nfs/dbraw/zinc/20/00/08/712200008.db2.gz CDOAXHPUIDANEQ-ZJUUUORDSA-N 1 0 213.302 0.271 20 30 BCEDRO C[C@@H](CC(C)(C)C#N)[NH2+]CC(=O)N(C)C ZINC000709978688 712236544 /nfs/dbraw/zinc/23/65/44/712236544.db2.gz DFTHSMFHPYYNKH-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO C#CCCCS(=O)(=O)NCC[N@@H+](C)C1CC1 ZINC000710257493 712249562 /nfs/dbraw/zinc/24/95/62/712249562.db2.gz VYACPVHFQMWTMP-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO C=C(Cl)CNC(=O)[C@]1(C)C[NH2+]CCO1 ZINC000710710585 712254609 /nfs/dbraw/zinc/25/46/09/712254609.db2.gz KDHWMSVQJOXWHY-VIFPVBQESA-N 1 0 218.684 0.234 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)C1CC[NH2+]CC1 ZINC000710883628 712261140 /nfs/dbraw/zinc/26/11/40/712261140.db2.gz WLEDXBFKSJMGOD-SNVBAGLBSA-N 1 0 246.376 0.870 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@](O)(CC)C1 ZINC000710625713 712264214 /nfs/dbraw/zinc/26/42/14/712264214.db2.gz CNMCEULRNVJRKP-DGCLKSJQSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCCS(=O)(=O)NCC1([NH+](C)C)CC1 ZINC000711015404 712275164 /nfs/dbraw/zinc/27/51/64/712275164.db2.gz CJFCIHSYQLZFQZ-UHFFFAOYSA-N 1 0 230.333 0.023 20 30 BCEDRO C#CC[C@H](COC)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000923487900 712334446 /nfs/dbraw/zinc/33/44/46/712334446.db2.gz IQNXVRKSLZTWBO-GHMZBOCLSA-N 1 0 239.319 0.028 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001079670825 712350165 /nfs/dbraw/zinc/35/01/65/712350165.db2.gz IOQAOOYOYRBDRQ-NXEZZACHSA-N 1 0 234.303 0.646 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001080518202 712353170 /nfs/dbraw/zinc/35/31/70/712353170.db2.gz HYFHKPXVWXQHRL-ZYHUDNBSSA-N 1 0 248.330 0.575 20 30 BCEDRO CC[C@H](CO)[N@H+](C)CCO[C@@H](C)C#N ZINC000379068696 712369750 /nfs/dbraw/zinc/36/97/50/712369750.db2.gz YBHQCVIDDUQBGO-VHSXEESVSA-N 1 0 200.282 0.618 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)COC ZINC000379587075 712389917 /nfs/dbraw/zinc/38/99/17/712389917.db2.gz RXBBUPJVVXBIBF-VIFPVBQESA-N 1 0 221.322 0.212 20 30 BCEDRO C#CCNC(=O)CN1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000796427161 712424895 /nfs/dbraw/zinc/42/48/95/712424895.db2.gz BDWORZNVZWONTE-QWHCGFSZSA-N 1 0 249.358 0.294 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNc1cc(C#N)cnn1 ZINC000712591794 712435582 /nfs/dbraw/zinc/43/55/82/712435582.db2.gz NATWKDVEPJSXLU-SECBINFHSA-N 1 0 203.249 0.464 20 30 BCEDRO CN1CC[C@H]1C[NH2+]Cc1ccc(C#N)o1 ZINC000712598442 712436674 /nfs/dbraw/zinc/43/66/74/712436674.db2.gz ITOSVWCTZLXIPC-VIFPVBQESA-N 1 0 205.261 0.945 20 30 BCEDRO Cc1cc(C#N)nc(NC[C@H]2CC[N@H+]2C)n1 ZINC000712576597 712448351 /nfs/dbraw/zinc/44/83/51/712448351.db2.gz AJOUVEBJSGHTTF-SNVBAGLBSA-N 1 0 217.276 0.773 20 30 BCEDRO C[NH+](C)C[C@@]1(O)CCN(c2ccnc(C#N)c2)C1 ZINC000713646803 712468319 /nfs/dbraw/zinc/46/83/19/712468319.db2.gz DHWXWAIDPPIXDK-ZDUSSCGKSA-N 1 0 246.314 0.456 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cn(CCC)nn1 ZINC000714466950 712490838 /nfs/dbraw/zinc/49/08/38/712490838.db2.gz FFPWHHYPEFZFHU-JTQLQIEISA-N 1 0 224.308 0.715 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC12CC[NH+](CC1)C2 ZINC000715507459 712524454 /nfs/dbraw/zinc/52/44/54/712524454.db2.gz JGLKPEWNPJOGPL-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO CC[C@H](C#N)C(=O)NC12CC[NH+](CC1)C2 ZINC000715507457 712524731 /nfs/dbraw/zinc/52/47/31/712524731.db2.gz JGLKPEWNPJOGPL-SECBINFHSA-N 1 0 207.277 0.501 20 30 BCEDRO C#C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000715768029 712532126 /nfs/dbraw/zinc/53/21/26/712532126.db2.gz HQGMNNSOTDUMNO-LBPRGKRZSA-N 1 0 232.327 0.954 20 30 BCEDRO C#C[C@H](CC)NC(=O)C12CC[NH+](CC1)C2 ZINC000715767005 712532145 /nfs/dbraw/zinc/53/21/45/712532145.db2.gz BVDZBNVGPVJULA-SNVBAGLBSA-N 1 0 206.289 0.610 20 30 BCEDRO C#C[C@H](NC(=O)C12CC[NH+](CC1)C2)C(C)C ZINC000715769113 712532185 /nfs/dbraw/zinc/53/21/85/712532185.db2.gz NCWGMFWEEKJTIX-NSHDSACASA-N 1 0 220.316 0.856 20 30 BCEDRO CC[C@@H](CC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000715822596 712533922 /nfs/dbraw/zinc/53/39/22/712533922.db2.gz GWBPPJLMNNLSGU-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C12CC[NH+](CC1)C2 ZINC000715821260 712534240 /nfs/dbraw/zinc/53/42/40/712534240.db2.gz AFHJATYKBWSPGJ-JTQLQIEISA-N 1 0 221.304 0.843 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716160947 712552837 /nfs/dbraw/zinc/55/28/37/712552837.db2.gz XIPWOSYBFFSHTC-WHXUTIOJSA-N 1 0 247.360 0.479 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@H](O)COC(C)C ZINC000716354808 712556274 /nfs/dbraw/zinc/55/62/74/712556274.db2.gz BFKLTTSNANLSCV-NEPJUHHUSA-N 1 0 229.320 0.400 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)COC(C)C ZINC000716354815 712556109 /nfs/dbraw/zinc/55/61/09/712556109.db2.gz BFKLTTSNANLSCV-RYUDHWBXSA-N 1 0 229.320 0.400 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)CC(F)(F)F ZINC000716374098 712557141 /nfs/dbraw/zinc/55/71/41/712557141.db2.gz GPADATPWHUBJBJ-DTWKUNHWSA-N 1 0 239.237 0.928 20 30 BCEDRO C[NH+](C)C[C@@H](CO)NC(=O)C#Cc1ccccc1 ZINC000716731175 712571246 /nfs/dbraw/zinc/57/12/46/712571246.db2.gz YPNXFVZFSDWLMD-ZDUSSCGKSA-N 1 0 246.310 0.077 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@@H](O)COCC(C)C ZINC000716836917 712577547 /nfs/dbraw/zinc/57/75/47/712577547.db2.gz DBGQIENCBYRKJZ-QWHCGFSZSA-N 1 0 243.347 0.648 20 30 BCEDRO CON=CC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000809641728 712584806 /nfs/dbraw/zinc/58/48/06/712584806.db2.gz QGZLCMYFDJWYMF-UHFFFAOYSA-N 1 0 239.279 0.015 20 30 BCEDRO Cc1c(F)cccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834483865 712598428 /nfs/dbraw/zinc/59/84/28/712598428.db2.gz ARUVDVKSWJWUEG-SKDRFNHKSA-N 1 0 247.273 0.976 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)CC(F)(F)F ZINC000717854983 712600803 /nfs/dbraw/zinc/60/08/03/712600803.db2.gz YPOLGWIPOHPKSQ-RKDXNWHRSA-N 1 0 239.237 0.664 20 30 BCEDRO Cn1cncc1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857237010 712616344 /nfs/dbraw/zinc/61/63/44/712616344.db2.gz NMYDCZXGJNPLEU-NSHDSACASA-N 1 0 236.319 0.810 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCOCC2CC2)N1 ZINC000379840553 712616562 /nfs/dbraw/zinc/61/65/62/712616562.db2.gz CWRNGLOCQQJEPO-SECBINFHSA-N 1 0 211.309 0.740 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](COC)C1CC1 ZINC000876805865 712629657 /nfs/dbraw/zinc/62/96/57/712629657.db2.gz GTZQRUJJUVGGRL-VHSXEESVSA-N 1 0 246.738 0.998 20 30 BCEDRO CC(C)(C)[NH2+]CCC(=O)N(CC#N)CC#N ZINC000037482691 712648509 /nfs/dbraw/zinc/64/85/09/712648509.db2.gz BFXOOVVQAIKJBG-UHFFFAOYSA-N 1 0 222.292 0.640 20 30 BCEDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000717296756 712645547 /nfs/dbraw/zinc/64/55/47/712645547.db2.gz OQMCDYATEDHAOE-CABZTGNLSA-N 1 0 220.272 0.390 20 30 BCEDRO C=CCC1(O)CC[NH+]([C@@H](C)C(N)=O)CC1 ZINC000717406401 712655595 /nfs/dbraw/zinc/65/55/95/712655595.db2.gz NOMFRTQXRUOSQR-VIFPVBQESA-N 1 0 212.293 0.263 20 30 BCEDRO Cc1n[nH]cc1C(=O)NCC#CC[NH+](C)C ZINC000717580916 712661422 /nfs/dbraw/zinc/66/14/22/712661422.db2.gz QYXSASUXJQQGJL-UHFFFAOYSA-N 1 0 220.276 0.013 20 30 BCEDRO OCC1(C[NH2+]CC#Cc2ccccc2)COC1 ZINC000717604616 712662472 /nfs/dbraw/zinc/66/24/72/712662472.db2.gz VYQQULQSGQBWPA-UHFFFAOYSA-N 1 0 231.295 0.637 20 30 BCEDRO C[NH+](C)CC#CCNc1cc(F)ncn1 ZINC000717612456 712662581 /nfs/dbraw/zinc/66/25/81/712662581.db2.gz LVZDLRPJEXTRKS-UHFFFAOYSA-N 1 0 208.240 0.593 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Cc1cccc(O)c1 ZINC000717679894 712664258 /nfs/dbraw/zinc/66/42/58/712664258.db2.gz OWGZMDJCHJTOBZ-UHFFFAOYSA-N 1 0 246.310 0.616 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000717748339 712668978 /nfs/dbraw/zinc/66/89/78/712668978.db2.gz ILRDAJLJHYPCHQ-YUMQZZPRSA-N 1 0 225.210 0.274 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccccc1 ZINC000717734477 712669414 /nfs/dbraw/zinc/66/94/14/712669414.db2.gz ZBTXUERSBWKQQE-QWHCGFSZSA-N 1 0 219.284 0.694 20 30 BCEDRO N#CC1CCN(C[C@H](O)C[NH+]2CCCC2)CC1 ZINC000380007049 712669656 /nfs/dbraw/zinc/66/96/56/712669656.db2.gz ZPLAHFYQTZSJGT-CYBMUJFWSA-N 1 0 237.347 0.679 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnn(CC)c1 ZINC000717785142 712676287 /nfs/dbraw/zinc/67/62/87/712676287.db2.gz BEBXPVBKZFDCFB-LLVKDONJSA-N 1 0 207.277 0.377 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cncnc1 ZINC000717785743 712676985 /nfs/dbraw/zinc/67/69/85/712676985.db2.gz FEIVLEZCMFXZQZ-LLVKDONJSA-N 1 0 205.261 0.341 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C1CC(OCC)C1 ZINC000717795661 712678108 /nfs/dbraw/zinc/67/81/08/712678108.db2.gz VJBWKXSIHAWKIO-VOMCLLRMSA-N 1 0 211.305 0.918 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c(C)nn(C)c1C ZINC000717813038 712680174 /nfs/dbraw/zinc/68/01/74/712680174.db2.gz GHIPBZWRQJYGFX-LLVKDONJSA-N 1 0 221.304 0.511 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cccc(OC)n1 ZINC000717813691 712680546 /nfs/dbraw/zinc/68/05/46/712680546.db2.gz MSGBPVBYOOGKCZ-NSHDSACASA-N 1 0 220.272 0.564 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H](C)c1cnccn1 ZINC000717813189 712680890 /nfs/dbraw/zinc/68/08/90/712680890.db2.gz HNZMVOPGQGVLDQ-GHMZBOCLSA-N 1 0 219.288 0.902 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnn(C(C)C)c1 ZINC000717814553 712680899 /nfs/dbraw/zinc/68/08/99/712680899.db2.gz WVFVGSQGLCLNJM-LBPRGKRZSA-N 1 0 221.304 0.938 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000717824349 712681739 /nfs/dbraw/zinc/68/17/39/712681739.db2.gz XGQVYMLHCMSEKJ-FRRDWIJNSA-N 1 0 224.348 0.833 20 30 BCEDRO CC#CC[C@H](CO)NC(NCC)=[NH+]CC ZINC000717832156 712682837 /nfs/dbraw/zinc/68/28/37/712682837.db2.gz VRGXNYZZBFBVKZ-SNVBAGLBSA-N 1 0 211.309 0.336 20 30 BCEDRO C=C[C@H](C(=O)OC)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384890264 712704206 /nfs/dbraw/zinc/70/42/06/712704206.db2.gz LJURYUJWWOZSCM-YTWAJWBKSA-N 1 0 224.304 0.206 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)Nc1ccnc(C#N)c1 ZINC000932158550 712716679 /nfs/dbraw/zinc/71/66/79/712716679.db2.gz KUKYPKMGKIMDQI-NSHDSACASA-N 1 0 245.286 0.779 20 30 BCEDRO COC(=O)c1cnc(NCC#CC[NH+](C)C)cn1 ZINC000717951152 712734819 /nfs/dbraw/zinc/73/48/19/712734819.db2.gz YTRVYPHOCNEMOB-UHFFFAOYSA-N 1 0 248.286 0.240 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@H](C)CO1 ZINC000718398915 712757032 /nfs/dbraw/zinc/75/70/32/712757032.db2.gz SVQPZYYQHVLAOF-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1C[C@@H](C)CO1 ZINC000718398917 712757073 /nfs/dbraw/zinc/75/70/73/712757073.db2.gz SVQPZYYQHVLAOF-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO CNC(NCCC(C)(C)COC)=[NH+]C ZINC000718968819 712790529 /nfs/dbraw/zinc/79/05/29/712790529.db2.gz DPWOIDBILZBXQC-UHFFFAOYSA-N 1 0 201.314 0.844 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1C[C@H]([NH3+])C(C)(C)C1 ZINC000720742597 712863224 /nfs/dbraw/zinc/86/32/24/712863224.db2.gz SIVSFEYXXXCTCC-ZJUUUORDSA-N 1 0 225.336 0.346 20 30 BCEDRO C[N@@H+]1CCC[C@H]2[C@@H]1CCN2C(=O)CC#N ZINC000720817433 712868155 /nfs/dbraw/zinc/86/81/55/712868155.db2.gz RQXAKFWXUNKYQA-UWVGGRQHSA-N 1 0 207.277 0.595 20 30 BCEDRO C#CCOCC[NH2+][C@H](C)c1ccnn1C ZINC000380315836 712882643 /nfs/dbraw/zinc/88/26/43/712882643.db2.gz IVJGSJGVKCCPBV-SNVBAGLBSA-N 1 0 207.277 0.721 20 30 BCEDRO C[C@@H]1C[NH2+]C[C@H]1Cn1cnc(C#N)c1C#N ZINC000721030199 712887726 /nfs/dbraw/zinc/88/77/26/712887726.db2.gz VDTUZJVYYPFQBL-BDAKNGLRSA-N 1 0 215.260 0.482 20 30 BCEDRO C[NH+](C)[C@H]1CCCN(c2nccnc2C#N)C1 ZINC000068902531 721885471 /nfs/dbraw/zinc/88/54/71/721885471.db2.gz BFIBDQIEUROZML-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCN(CCN1CCCS1(=O)=O)C1CC1 ZINC000357553020 136210561 /nfs/dbraw/zinc/21/05/61/136210561.db2.gz MLCKTLPHTZQMOF-UHFFFAOYSA-N 1 0 244.360 0.672 20 30 BCEDRO C[N@@H+]1CCCC[C@H]1C(=O)N1CC[C@@](F)(C#N)C1 ZINC000602143254 349451775 /nfs/dbraw/zinc/45/17/75/349451775.db2.gz RWUCEDKDBUPXSY-CMPLNLGQSA-N 1 0 239.294 0.935 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](CCCO)C1 ZINC000650353301 398142294 /nfs/dbraw/zinc/14/22/94/398142294.db2.gz PYICVFZMVCFJKC-LBPRGKRZSA-N 1 0 211.305 0.731 20 30 BCEDRO CN(C)C(=[NH+]C[C@H]1CCCS1(=O)=O)N(C)C ZINC000153250363 136212848 /nfs/dbraw/zinc/21/28/48/136212848.db2.gz HPYCIBFOUSTREJ-SECBINFHSA-N 1 0 247.364 0.043 20 30 BCEDRO C#CC[NH2+][C@H](C1CC1)[C@@]1(CO)CCCO1 ZINC000378718386 346815073 /nfs/dbraw/zinc/81/50/73/346815073.db2.gz DHBRHENCWSXWEI-NEPJUHHUSA-N 1 0 209.289 0.529 20 30 BCEDRO C[C@H]([NH2+][C@@H]1COC[C@@H]1O)c1ccc(C#N)cc1 ZINC000037749441 398147693 /nfs/dbraw/zinc/14/76/93/398147693.db2.gz ATEUFVREVMFDQD-BIMULSAOSA-N 1 0 232.283 0.969 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)[C@H](C)[NH3+] ZINC000424206657 398176777 /nfs/dbraw/zinc/17/67/77/398176777.db2.gz HUKCBTOIUOORSG-RCWTZXSCSA-N 1 0 226.320 0.677 20 30 BCEDRO C[NH+](C)CC(C)(C)NC(=O)c1cc(C#N)c[nH]1 ZINC000454360549 398180115 /nfs/dbraw/zinc/18/01/15/398180115.db2.gz OROBMRLJUXJTAK-UHFFFAOYSA-N 1 0 234.303 0.956 20 30 BCEDRO C=CCNC(=O)CN(C)CC[NH+]1CCCCC1 ZINC000649887293 398165664 /nfs/dbraw/zinc/16/56/64/398165664.db2.gz DTOUOHHVDLKQIQ-UHFFFAOYSA-N 1 0 239.363 0.706 20 30 BCEDRO N#Cc1cccc(CN[C@@H]2[C@H]3C[NH2+]C[C@H]32)c1 ZINC000335537858 398205756 /nfs/dbraw/zinc/20/57/56/398205756.db2.gz FVBRYVAEVUQOIK-ITGUQSILSA-N 1 0 213.284 0.866 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)CCNC(=O)C(C)C ZINC000649406101 398206218 /nfs/dbraw/zinc/20/62/18/398206218.db2.gz JDSYYSNXZYJBHB-NSHDSACASA-N 1 0 228.336 0.627 20 30 BCEDRO Cc1cc(NCCn2cnc(C#N)n2)cc[nH+]1 ZINC000286479343 178164824 /nfs/dbraw/zinc/16/48/24/178164824.db2.gz UTYNYFMDBDRIPR-UHFFFAOYSA-N 1 0 228.259 0.965 20 30 BCEDRO N#Cc1cccn(CC[C@H]2CC[NH2+]C2)c1=O ZINC000335658146 398221759 /nfs/dbraw/zinc/22/17/59/398221759.db2.gz WNFWOCJFJHTJKN-SNVBAGLBSA-N 1 0 217.272 0.720 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418363289 192028421 /nfs/dbraw/zinc/02/84/21/192028421.db2.gz ICMLPZHTKXKQES-GHMZBOCLSA-N 1 0 241.335 0.222 20 30 BCEDRO C=CCCN(C)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418370866 192029108 /nfs/dbraw/zinc/02/91/08/192029108.db2.gz PCUPPXNKXLRVFL-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@H]1CCC[NH2+]1 ZINC000418369981 192029319 /nfs/dbraw/zinc/02/93/19/192029319.db2.gz OIBWXNNYCXSRMF-MNOVXSKESA-N 1 0 241.335 0.365 20 30 BCEDRO C=C(C)C[NH+]1CCC(O)(C(=O)OCC)CC1 ZINC000081017396 398231789 /nfs/dbraw/zinc/23/17/89/398231789.db2.gz QAKYHDVFAXHDTI-UHFFFAOYSA-N 1 0 227.304 0.953 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418411198 192034518 /nfs/dbraw/zinc/03/45/18/192034518.db2.gz WNUZVXMMUJWOPK-JTQLQIEISA-N 1 0 209.293 0.388 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418415468 192035004 /nfs/dbraw/zinc/03/50/04/192035004.db2.gz UOBMCUADNJTFAZ-LLVKDONJSA-N 1 0 243.351 0.814 20 30 BCEDRO C=C(C)COCCNC(=O)NCC[N@@H+](C)CC ZINC000128903651 136226916 /nfs/dbraw/zinc/22/69/16/136226916.db2.gz KWAREJNCQHRRTE-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=C[C@H](CO)NC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000418442837 192036758 /nfs/dbraw/zinc/03/67/58/192036758.db2.gz FFPMKMXVHLUEGO-VXGBXAGGSA-N 1 0 249.314 0.533 20 30 BCEDRO N#CC1(C(=O)NC2CC[NH2+]CC2)CCC1 ZINC000602421212 349528068 /nfs/dbraw/zinc/52/80/68/349528068.db2.gz KTRXFRPHRYMHEE-UHFFFAOYSA-N 1 0 207.277 0.548 20 30 BCEDRO N#CC1(C(=O)NCC[C@@H]2CC[NH2+]C2)CCC1 ZINC000602428208 349533013 /nfs/dbraw/zinc/53/30/13/349533013.db2.gz HOOKHHAGQGUOEL-JTQLQIEISA-N 1 0 221.304 0.796 20 30 BCEDRO N#CC1(C(=O)N[C@H]2CCC[NH2+]C2)CCC1 ZINC000602423732 349531137 /nfs/dbraw/zinc/53/11/37/349531137.db2.gz DYRZGEZQRFONNV-VIFPVBQESA-N 1 0 207.277 0.548 20 30 BCEDRO C=CCCC[N@@H+](C)C[C@](C)(O)C(=O)OC ZINC000343877408 365637677 /nfs/dbraw/zinc/63/76/77/365637677.db2.gz RLEVVBAWRBPAQT-NSHDSACASA-N 1 0 215.293 0.808 20 30 BCEDRO CC#CC(=O)N1C[C@H](SC)[C@@H]([NH+](C)C)C1 ZINC000283244703 136228552 /nfs/dbraw/zinc/22/85/52/136228552.db2.gz PWCWUIYVNZOUST-UWVGGRQHSA-N 1 0 226.345 0.514 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]2CCC[NH2+]2)CC2(CC2)C1 ZINC000602429128 349533804 /nfs/dbraw/zinc/53/38/04/349533804.db2.gz SVAOPNDBYDWCKI-JTQLQIEISA-N 1 0 233.315 0.939 20 30 BCEDRO CC(C)([NH3+])CNC(=O)C1(C#N)CC2(CC2)C1 ZINC000602431891 349537228 /nfs/dbraw/zinc/53/72/28/349537228.db2.gz GEIDYYVVFOEBHF-UHFFFAOYSA-N 1 0 221.304 0.924 20 30 BCEDRO C[C@H]1CN(C(=O)C2(C#N)CCC2)CC[C@@H]1[NH3+] ZINC000602434333 349537621 /nfs/dbraw/zinc/53/76/21/349537621.db2.gz PTNMLCLPSOZOBF-UWVGGRQHSA-N 1 0 221.304 0.876 20 30 BCEDRO CCC[C@@H](C[NH+]1CCN(CC#N)CC1)OC ZINC000602455974 349553441 /nfs/dbraw/zinc/55/34/41/349553441.db2.gz VCHSMPZGGSHYRU-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N2CC(C)(C#N)C2)C1 ZINC000580344815 398260392 /nfs/dbraw/zinc/26/03/92/398260392.db2.gz RBFFAWIDWHINHB-JTQLQIEISA-N 1 0 221.304 0.700 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)CCC1 ZINC000602492898 349571932 /nfs/dbraw/zinc/57/19/32/349571932.db2.gz ZCSOTLHLESOJMO-IUCAKERBSA-N 1 0 225.267 0.496 20 30 BCEDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)C1(C#N)CCC1 ZINC000602492079 349572131 /nfs/dbraw/zinc/57/21/31/349572131.db2.gz LSMJVBQDJCIGCD-UWVGGRQHSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@H]1C[NH2+]CC[C@H]1NC(=O)C1(C#N)CCC1 ZINC000602492080 349572279 /nfs/dbraw/zinc/57/22/79/349572279.db2.gz LSMJVBQDJCIGCD-VHSXEESVSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CCOCCO ZINC000602499900 349560004 /nfs/dbraw/zinc/56/00/04/349560004.db2.gz UYXCSQKZBLWPLS-JTQLQIEISA-N 1 0 200.282 0.525 20 30 BCEDRO CC[N@H+](CCO)[C@@H](C)C(=O)NC1(C#N)CCC1 ZINC000346241950 136233929 /nfs/dbraw/zinc/23/39/29/136233929.db2.gz OABYQGFDLBBEKT-JTQLQIEISA-N 1 0 239.319 0.252 20 30 BCEDRO C=C[C@](C)(CC)C(=O)NC[C@]1(O)CC[N@H+](C)C1 ZINC000442821043 398269450 /nfs/dbraw/zinc/26/94/50/398269450.db2.gz LSXHANOJBAKJCR-CHWSQXEVSA-N 1 0 240.347 0.772 20 30 BCEDRO N#CC1CCC([NH2+][C@@H]2CCCNC2=O)CC1 ZINC000602530130 349579321 /nfs/dbraw/zinc/57/93/21/349579321.db2.gz DSMBPNVNYGAWTB-VQXHTEKXSA-N 1 0 221.304 0.937 20 30 BCEDRO C[C@@H](O)C[N@H+](CCCSCC#N)[C@@H](C)CO ZINC000190886453 398270567 /nfs/dbraw/zinc/27/05/67/398270567.db2.gz IRNRZQBXJMSBNN-WDEREUQCSA-N 1 0 246.376 0.697 20 30 BCEDRO CN1CCO[C@H](C[NH2+]C2CCC(C#N)CC2)C1 ZINC000602543466 349587852 /nfs/dbraw/zinc/58/78/52/349587852.db2.gz JWNSJKGADXCRMY-WXRRBKDZSA-N 1 0 237.347 0.989 20 30 BCEDRO CCS(=O)(=O)NCC[NH2+]C[C@H](C)CCC#N ZINC000602533287 349601232 /nfs/dbraw/zinc/60/12/32/349601232.db2.gz VUISXIAOIQTARJ-SNVBAGLBSA-N 1 0 247.364 0.455 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CCCS(C)(=O)=O ZINC000602539539 349604355 /nfs/dbraw/zinc/60/43/55/349604355.db2.gz IIAWRIAIWGHZTP-JTQLQIEISA-N 1 0 232.349 0.951 20 30 BCEDRO C[C@H]1CCNC(=O)[C@H]1[NH2+]CCOCCC#N ZINC000378864449 346848598 /nfs/dbraw/zinc/84/85/98/346848598.db2.gz XJPBMAXDBDDVRP-UWVGGRQHSA-N 1 0 225.292 0.031 20 30 BCEDRO C[C@@H]1CC[C@H](NC(=O)C2(C#N)CCC2)C[NH2+]1 ZINC000602551842 349594093 /nfs/dbraw/zinc/59/40/93/349594093.db2.gz GBBDTTOFQPZDRQ-ZJUUUORDSA-N 1 0 221.304 0.937 20 30 BCEDRO CN(CC[NH+](C)C)c1ncc([N+](=O)[O-])cc1C#N ZINC000267063646 398271019 /nfs/dbraw/zinc/27/10/19/398271019.db2.gz PWCCDLLBSKHDSD-UHFFFAOYSA-N 1 0 249.274 0.859 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000602577758 349606753 /nfs/dbraw/zinc/60/67/53/349606753.db2.gz AJFRZJRNKSPKGQ-PWSUYJOCSA-N 1 0 236.319 0.983 20 30 BCEDRO CC(C)(F)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000602579780 349607676 /nfs/dbraw/zinc/60/76/76/349607676.db2.gz GXIPSRRCXRWWQT-MRVPVSSYSA-N 1 0 215.272 0.872 20 30 BCEDRO COC[C@@H](O)CC[NH2+]C[C@@H](C)CCC#N ZINC000602579350 349607849 /nfs/dbraw/zinc/60/78/49/349607849.db2.gz JZEQKIKANVYNSF-QWRGUYRKSA-N 1 0 214.309 0.913 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+]Cc2cnn[nH]2)C1 ZINC000600177036 342696548 /nfs/dbraw/zinc/69/65/48/342696548.db2.gz LSZYVNGHKUPCLK-DTWKUNHWSA-N 1 0 205.265 0.977 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418489378 192041354 /nfs/dbraw/zinc/04/13/54/192041354.db2.gz OIDQHCCJTQHJFG-GHMZBOCLSA-N 1 0 241.335 0.350 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418489381 192041569 /nfs/dbraw/zinc/04/15/69/192041569.db2.gz OIDQHCCJTQHJFG-WDEREUQCSA-N 1 0 241.335 0.350 20 30 BCEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCC(C)(C)C#N ZINC000335604691 136235913 /nfs/dbraw/zinc/23/59/13/136235913.db2.gz OOXHWNNBVRJPIA-VHSXEESVSA-N 1 0 238.335 0.928 20 30 BCEDRO C[C@@H]1CN(C(=O)NCC(C)(C)C#N)CC[NH2+]1 ZINC000335603135 136235508 /nfs/dbraw/zinc/23/55/08/136235508.db2.gz BHMYRXMQKMSOBY-SECBINFHSA-N 1 0 224.308 0.539 20 30 BCEDRO N#Cc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000602589271 349613361 /nfs/dbraw/zinc/61/33/61/349613361.db2.gz SGUDQOIWHCBMIQ-RYUDHWBXSA-N 1 0 227.267 0.745 20 30 BCEDRO CC#CCC[N@H+](C)CC1(O)CCOCC1 ZINC000167215933 361862283 /nfs/dbraw/zinc/86/22/83/361862283.db2.gz LVCDLWQFBXFGPZ-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000320993751 342749111 /nfs/dbraw/zinc/74/91/11/342749111.db2.gz JOBXHCWUXNRPPM-JGVFFNPUSA-N 1 0 227.226 0.826 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000320075888 342731802 /nfs/dbraw/zinc/73/18/02/342731802.db2.gz ARSXWYJEJYOSSC-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)CC(F)(F)F ZINC000320641444 342734511 /nfs/dbraw/zinc/73/45/11/342734511.db2.gz MVWSMFZHYUKSQY-SFYZADRCSA-N 1 0 227.226 0.826 20 30 BCEDRO C[C@@H]1CN(C(=O)NCC(C)(C)C#N)[C@H](C)C[NH2+]1 ZINC000335604689 136236043 /nfs/dbraw/zinc/23/60/43/136236043.db2.gz OOXHWNNBVRJPIA-NXEZZACHSA-N 1 0 238.335 0.928 20 30 BCEDRO C=CCCOCC[NH2+]C[C@@H](O)COC ZINC000231822185 342739977 /nfs/dbraw/zinc/73/99/77/342739977.db2.gz RTOZJXRIAOFTEW-SNVBAGLBSA-N 1 0 203.282 0.176 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C[N@@H+](C)C1CCC1 ZINC000630006309 361890635 /nfs/dbraw/zinc/89/06/35/361890635.db2.gz QJPGKYLPPLDSQL-NEPJUHHUSA-N 1 0 238.331 0.930 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CCCC[NH2+]C1 ZINC000335611567 136237037 /nfs/dbraw/zinc/23/70/37/136237037.db2.gz HSQPPFSKZNHTIJ-JTQLQIEISA-N 1 0 209.293 0.451 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000602594467 349619341 /nfs/dbraw/zinc/61/93/41/349619341.db2.gz XGYBXCXLNKYXTK-DTWKUNHWSA-N 1 0 245.273 0.992 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000634580813 342796262 /nfs/dbraw/zinc/79/62/62/342796262.db2.gz KYMVBLBKJYLFQD-WDEREUQCSA-N 1 0 248.330 0.998 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCCn2nccc21 ZINC000634580810 342796398 /nfs/dbraw/zinc/79/63/98/342796398.db2.gz KYMVBLBKJYLFQD-GHMZBOCLSA-N 1 0 248.330 0.998 20 30 BCEDRO CN(C(=O)[C@H]1CCC[NH2+]1)[C@H]1CCC[C@H]1C#N ZINC000602601744 349624948 /nfs/dbraw/zinc/62/49/48/349624948.db2.gz LEXBUZXSOHJQOJ-AXFHLTTASA-N 1 0 221.304 0.889 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]C[C@H](C)S(C)(=O)=O ZINC000602576220 349624602 /nfs/dbraw/zinc/62/46/02/349624602.db2.gz KEEQXPKHQHVPMQ-UWVGGRQHSA-N 1 0 232.349 0.949 20 30 BCEDRO C=CCCN(C)C(=O)NC[C@H]1COCCN1C ZINC000624730801 342823318 /nfs/dbraw/zinc/82/33/18/342823318.db2.gz OICKHWHYCQNFJT-NSHDSACASA-N 1 0 241.335 0.535 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000602576219 349624667 /nfs/dbraw/zinc/62/46/67/349624667.db2.gz KEEQXPKHQHVPMQ-NXEZZACHSA-N 1 0 232.349 0.949 20 30 BCEDRO C[NH2+]C[C@H](C)C(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000602603867 349626119 /nfs/dbraw/zinc/62/61/19/349626119.db2.gz VNUIMWVXVHKCPU-DCAQKATOSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@H]([NH3+])CC(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000602603455 349626304 /nfs/dbraw/zinc/62/63/04/349626304.db2.gz SDPNMCSXCQOUBX-AEJSXWLSSA-N 1 0 209.293 0.874 20 30 BCEDRO C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CCC[C@H]1C#N ZINC000602603869 349626337 /nfs/dbraw/zinc/62/63/37/349626337.db2.gz VNUIMWVXVHKCPU-GARJFASQSA-N 1 0 223.320 0.993 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1ccc(C#N)c(C)n1 ZINC000066958691 361926956 /nfs/dbraw/zinc/92/69/56/361926956.db2.gz QGHDHGAWKITBGF-UHFFFAOYSA-N 1 0 246.314 0.943 20 30 BCEDRO COC1(CNC2=[NH+]C[C@H](C)N2)CCCC1 ZINC000261528267 536593103 /nfs/dbraw/zinc/59/31/03/536593103.db2.gz LHEPHISOKZSDII-VIFPVBQESA-N 1 0 211.309 0.883 20 30 BCEDRO CN(C(=O)COCC[NH3+])[C@@H]1CCC[C@@H]1C#N ZINC000602603054 349625512 /nfs/dbraw/zinc/62/55/12/349625512.db2.gz PRDSXPMMLFMHNB-NXEZZACHSA-N 1 0 225.292 0.112 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@@H](OC)C1 ZINC000381471235 539001675 /nfs/dbraw/zinc/00/16/75/539001675.db2.gz OOJVGJZUUFGQDF-WDEREUQCSA-N 1 0 226.320 0.836 20 30 BCEDRO C[NH2+]C[C@H](C)C(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000602603870 349626865 /nfs/dbraw/zinc/62/68/65/349626865.db2.gz VNUIMWVXVHKCPU-HBNTYKKESA-N 1 0 223.320 0.993 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@H+]1C[C@H](O)[C@@H](C)C1 ZINC000388232398 539014600 /nfs/dbraw/zinc/01/46/00/539014600.db2.gz YKLHWABBKIAEIT-RYUDHWBXSA-N 1 0 240.347 0.724 20 30 BCEDRO Cc1ccc(C#N)c(NC[C@@]2(O)CC[N@@H+](C)C2)n1 ZINC000342827957 342861736 /nfs/dbraw/zinc/86/17/36/342861736.db2.gz CGIAHKRWHHUGSQ-ZDUSSCGKSA-N 1 0 246.314 0.740 20 30 BCEDRO CN(CC[NH+]1CCCC1)c1nccnc1C#N ZINC000063053113 398302851 /nfs/dbraw/zinc/30/28/51/398302851.db2.gz XRUUVGJPTKCUIH-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCOC1 ZINC000294020119 398305889 /nfs/dbraw/zinc/30/58/89/398305889.db2.gz QJPVISPCUJBQHJ-LLVKDONJSA-N 1 0 224.304 0.094 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000648040374 398306073 /nfs/dbraw/zinc/30/60/73/398306073.db2.gz NGIIEVCSCAZHCY-UTUOFQBUSA-N 1 0 248.330 0.858 20 30 BCEDRO C=C[C@H](CO)NC(=O)NC[C@@]1(C)CCC[NH2+]C1 ZINC000418551781 192049424 /nfs/dbraw/zinc/04/94/24/192049424.db2.gz ULKIWFCTOWADGP-PWSUYJOCSA-N 1 0 241.335 0.222 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(OCC)CC1 ZINC000059932093 342876878 /nfs/dbraw/zinc/87/68/78/342876878.db2.gz VVVNWPJYQVNKLQ-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO Cn1cc(C[NH2+][C@@]2(CCO)CCOC2)cc1C#N ZINC000278105954 398315662 /nfs/dbraw/zinc/31/56/62/398315662.db2.gz AOVJNRPTUSBCSM-ZDUSSCGKSA-N 1 0 249.314 0.528 20 30 BCEDRO CC(C)[NH2+]CC(=O)N1CCN(CCC#N)CC1 ZINC000134823613 342894645 /nfs/dbraw/zinc/89/46/45/342894645.db2.gz JNBFLJWVUOFLFP-UHFFFAOYSA-N 1 0 238.335 0.042 20 30 BCEDRO C=C(C)COCCNC(=O)N(C)CC[NH+](C)C ZINC000151473170 398316699 /nfs/dbraw/zinc/31/66/99/398316699.db2.gz LDSCXPXQEIILBR-UHFFFAOYSA-N 1 0 243.351 0.782 20 30 BCEDRO C=C[C@H](C)[NH2+][C@@H]1CCCS(=O)(=O)C1 ZINC000162306661 349633955 /nfs/dbraw/zinc/63/39/55/349633955.db2.gz IXNMDGSEIDYSLJ-DTWKUNHWSA-N 1 0 203.307 0.728 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000418562135 192051160 /nfs/dbraw/zinc/05/11/60/192051160.db2.gz TXACXDCMAUKKGE-HBNTYKKESA-N 1 0 241.335 0.221 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@@H+](C)C(C)(C)CO ZINC000134846693 342901485 /nfs/dbraw/zinc/90/14/85/342901485.db2.gz XBIYZOJYWKRQFY-UHFFFAOYSA-N 1 0 240.347 0.890 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cccc(C#N)n1 ZINC000602614494 349637194 /nfs/dbraw/zinc/63/71/94/349637194.db2.gz RSDKVSKZZDYQKV-LBPRGKRZSA-N 1 0 217.272 0.980 20 30 BCEDRO C=CCN(C)Cc1cn(C)nc1[N+](=O)[O-] ZINC000602622863 349641174 /nfs/dbraw/zinc/64/11/74/349641174.db2.gz MQZOEALIOKGYGV-UHFFFAOYSA-N 1 0 210.237 0.946 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)[C@H]([NH3+])CCCC#N)[C@H](C)O1 ZINC000602599770 349645850 /nfs/dbraw/zinc/64/58/50/349645850.db2.gz RHAVHVWWCHZHGH-YTWAJWBKSA-N 1 0 239.319 0.690 20 30 BCEDRO C=C(C)C[C@H](NC(=O)CC[NH2+]C)C(=O)OC ZINC000602599110 349645890 /nfs/dbraw/zinc/64/58/90/349645890.db2.gz GZLYCKCTLPSOKU-VIFPVBQESA-N 1 0 228.292 0.220 20 30 BCEDRO N#CCC1(C[NH2+][C@H]2CCCNC(=O)C2)CC1 ZINC000602641790 349654790 /nfs/dbraw/zinc/65/47/90/349654790.db2.gz DJKLRPXTGNXWJQ-JTQLQIEISA-N 1 0 221.304 0.939 20 30 BCEDRO CC#CCNC(=O)C[NH+]1CCC(C)CC1 ZINC000154516941 398338854 /nfs/dbraw/zinc/33/88/54/398338854.db2.gz UBJZWQSRPQXATJ-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO CC[C@](C)(C[NH2+]CCn1cnc(C#N)n1)OC ZINC000602657117 349662755 /nfs/dbraw/zinc/66/27/55/349662755.db2.gz XGKJIBPIEFGYQU-LLVKDONJSA-N 1 0 237.307 0.554 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCN(CCO)C[C@@H]1C ZINC000602686123 349677928 /nfs/dbraw/zinc/67/79/28/349677928.db2.gz OWXWLWWODZTVBE-STQMWFEESA-N 1 0 239.363 0.925 20 30 BCEDRO CCn1cnnc1CNC(N[C@@H]1C[C@@H]1C)=[NH+]C ZINC000083904790 398342222 /nfs/dbraw/zinc/34/22/22/398342222.db2.gz OPDBEGVDYXNAAL-DTWKUNHWSA-N 1 0 236.323 0.371 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000418609057 192055876 /nfs/dbraw/zinc/05/58/76/192055876.db2.gz DDMMZYUZUWRKNX-LPEHRKFASA-N 1 0 211.309 0.858 20 30 BCEDRO C=C(C)CC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000351761971 136252774 /nfs/dbraw/zinc/25/27/74/136252774.db2.gz PFBRIAPQJOETCC-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC(CC#N)C1 ZINC000260315900 349683222 /nfs/dbraw/zinc/68/32/22/349683222.db2.gz XHQVEMFPWLXYNE-JTQLQIEISA-N 1 0 207.277 0.453 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@@H]1CCc2nnnn2CC1 ZINC000602693226 349689886 /nfs/dbraw/zinc/68/98/86/349689886.db2.gz DEWMVWKBAFCZIC-WDEREUQCSA-N 1 0 248.334 0.907 20 30 BCEDRO CO[C@@H]1COC[C@H]1[NH2+]C[C@@H](C)CCC#N ZINC000602695168 349691457 /nfs/dbraw/zinc/69/14/57/349691457.db2.gz FCLZKNOJPQWGRN-HBNTYKKESA-N 1 0 212.293 0.930 20 30 BCEDRO CO[C@]1(C[N@@H+]2CC[C@](O)(CC#N)C2)CCOC1 ZINC000602694734 349691522 /nfs/dbraw/zinc/69/15/22/349691522.db2.gz BVBMPOMFKKFCBQ-NEPJUHHUSA-N 1 0 240.303 0.142 20 30 BCEDRO CN1C(=O)CC[C@@H]([NH2+]C2CCC(C#N)CC2)C1=O ZINC000602692427 349688983 /nfs/dbraw/zinc/68/89/83/349688983.db2.gz NINATBXKLUJGMK-VQXHTEKXSA-N 1 0 249.314 0.806 20 30 BCEDRO C[C@@H](CCC#N)C[NH+]1CCC(O)(CO)CC1 ZINC000602708722 349701650 /nfs/dbraw/zinc/70/16/50/349701650.db2.gz KZCUWMZUKKOLOP-NSHDSACASA-N 1 0 226.320 0.745 20 30 BCEDRO N#CCCN1CC[NH+](CC[C@H]2CCOC2)CC1 ZINC000602747885 349711713 /nfs/dbraw/zinc/71/17/13/349711713.db2.gz HZKJISOMRWMART-ZDUSSCGKSA-N 1 0 237.347 0.944 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@H]1C[C@H](C(N)=O)C1 ZINC000602724053 349714307 /nfs/dbraw/zinc/71/43/07/349714307.db2.gz PTCNZXNVPFRMTJ-GUBZILKMSA-N 1 0 209.293 0.780 20 30 BCEDRO C[C@@H](CNc1ccnc(C#N)n1)[NH+](C)C ZINC000309019571 259341578 /nfs/dbraw/zinc/34/15/78/259341578.db2.gz SVZWWFKLCFDSJJ-QMMMGPOBSA-N 1 0 205.265 0.710 20 30 BCEDRO [O-]C(=[NH+][C@H]1CCc2nc[nH]c2C1)N1CC(F)C1 ZINC000329734904 136261192 /nfs/dbraw/zinc/26/11/92/136261192.db2.gz KOTABMYLCDVQHP-QMMMGPOBSA-N 1 0 238.266 0.835 20 30 BCEDRO COCCCNC(=O)[C@@H](C)N[C@H](C)CC#N ZINC000602861712 349773512 /nfs/dbraw/zinc/77/35/12/349773512.db2.gz HVFYLRINPWZYOR-NXEZZACHSA-N 1 0 227.308 0.419 20 30 BCEDRO CO[C@H](C)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856091 349789141 /nfs/dbraw/zinc/78/91/41/349789141.db2.gz YKINWYXNZRSMGJ-IJLUTSLNSA-N 1 0 225.336 0.939 20 30 BCEDRO C[C@H]1C[NH+](CCCCO)C[C@H](C)N1CC#N ZINC000602859181 349789831 /nfs/dbraw/zinc/78/98/31/349789831.db2.gz WXCZHQQUHHZLIV-RYUDHWBXSA-N 1 0 225.336 0.677 20 30 BCEDRO CC[C@H](O)C[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602849760 349784866 /nfs/dbraw/zinc/78/48/66/349784866.db2.gz NMXGUCKKZVHKGA-TUAOUCFPSA-N 1 0 225.336 0.675 20 30 BCEDRO C[C@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602850580 349785841 /nfs/dbraw/zinc/78/58/41/349785841.db2.gz QUBAYGJEUUXOEU-DCAQKATOSA-N 1 0 211.309 0.285 20 30 BCEDRO COC[C@@H](C)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851904 349786193 /nfs/dbraw/zinc/78/61/93/349786193.db2.gz YCSWWNPBPHOLOB-GRYCIOLGSA-N 1 0 225.336 0.939 20 30 BCEDRO CC(C)[C@H](O)C[NH+]1C[C@H](C)N(CC#N)[C@@H](C)C1 ZINC000602851760 349786691 /nfs/dbraw/zinc/78/66/91/349786691.db2.gz XOWBYUWSRXZMTQ-RWMBFGLXSA-N 1 0 239.363 0.921 20 30 BCEDRO CC(C)[C@H](O)C[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602851759 349786699 /nfs/dbraw/zinc/78/66/99/349786699.db2.gz XOWBYUWSRXZMTQ-JHJVBQTASA-N 1 0 239.363 0.921 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000418657027 192059333 /nfs/dbraw/zinc/05/93/33/192059333.db2.gz QPSCZJJDJGFBIR-PWSUYJOCSA-N 1 0 241.335 0.629 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(C(=O)C(C)(C)C#N)C1 ZINC000114399287 136266414 /nfs/dbraw/zinc/26/64/14/136266414.db2.gz RJQJWELDYYCOEX-JTQLQIEISA-N 1 0 223.320 0.946 20 30 BCEDRO C=CCNC(=O)[C@H](C)n1cc([C@@H](C)[NH2+]C)nn1 ZINC000640883316 362069315 /nfs/dbraw/zinc/06/93/15/362069315.db2.gz FXXAIJILYKEGSY-BDAKNGLRSA-N 1 0 237.307 0.422 20 30 BCEDRO C[NH2+]C[C@H](C)CNc1cnc(C#N)cn1 ZINC000168359614 136267760 /nfs/dbraw/zinc/26/77/60/136267760.db2.gz CZHFFXXYEAAZJN-QMMMGPOBSA-N 1 0 205.265 0.616 20 30 BCEDRO C=CCN(C(=O)N[C@@H]1[C@H]2C[NH2+]C[C@H]21)C1CC1 ZINC000418676829 192059845 /nfs/dbraw/zinc/05/98/45/192059845.db2.gz TXQZDERYCPLJTN-URLYPYJESA-N 1 0 221.304 0.564 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418689154 192060365 /nfs/dbraw/zinc/06/03/65/192060365.db2.gz BNUHGJWJUDKZBZ-NXEZZACHSA-N 1 0 229.324 0.566 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CC)[C@@H]2CCOC2)C1=O ZINC000361595952 136268700 /nfs/dbraw/zinc/26/87/00/136268700.db2.gz PZWIPEHKOUGYSO-NEPJUHHUSA-N 1 0 238.331 0.884 20 30 BCEDRO C[C@@H]([NH2+]CCOCCC#N)[C@H]1CCOC1 ZINC000339085504 136271117 /nfs/dbraw/zinc/27/11/17/136271117.db2.gz NOHPSUYBMRVREJ-MNOVXSKESA-N 1 0 212.293 0.931 20 30 BCEDRO N#CCCOCC[N@H+]1C[C@@H]2CC[C@@H](O)[C@@H]2C1 ZINC000339082989 136271186 /nfs/dbraw/zinc/27/11/86/136271186.db2.gz HNVRGKZKXZLGES-QJPTWQEYSA-N 1 0 224.304 0.619 20 30 BCEDRO CCOCC[N@H+](C)CCOCCC#N ZINC000339062613 136271258 /nfs/dbraw/zinc/27/12/58/136271258.db2.gz GRNVZDHPJHDRMO-UHFFFAOYSA-N 1 0 200.282 0.885 20 30 BCEDRO C[C@H]1CN(CCOCCC#N)CCC1=O ZINC000339092897 136271283 /nfs/dbraw/zinc/27/12/83/136271283.db2.gz UZMAEVFCBMVFQP-JTQLQIEISA-N 1 0 210.277 0.828 20 30 BCEDRO N#CCCOCC[N@H+]1C[C@@H]2CC[C@H](O)[C@H]2C1 ZINC000339082991 136271287 /nfs/dbraw/zinc/27/12/87/136271287.db2.gz HNVRGKZKXZLGES-SRVKXCTJSA-N 1 0 224.304 0.619 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000078724259 136273145 /nfs/dbraw/zinc/27/31/45/136273145.db2.gz GLRKKLOZXBXAHE-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](O)C1(C)C ZINC000336708861 136274526 /nfs/dbraw/zinc/27/45/26/136274526.db2.gz SHEXMNYCLWHABA-VIFPVBQESA-N 1 0 212.293 0.134 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@H](O)COCC ZINC000168694731 343210652 /nfs/dbraw/zinc/21/06/52/343210652.db2.gz WZIHDFPKOTWJBN-NSHDSACASA-N 1 0 217.309 0.566 20 30 BCEDRO CC[C@H](C#N)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000366298612 136280624 /nfs/dbraw/zinc/28/06/24/136280624.db2.gz IZWBVEHLTUMVAY-MNOVXSKESA-N 1 0 221.304 0.747 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000339167040 136280629 /nfs/dbraw/zinc/28/06/29/136280629.db2.gz GCUNKOMJSVXIKS-DGCLKSJQSA-N 1 0 238.331 0.836 20 30 BCEDRO N#Cc1csc(C[NH2+]C[C@H](O)CO)c1 ZINC000086573790 136280927 /nfs/dbraw/zinc/28/09/27/136280927.db2.gz RMKMGVSMRRDJHG-QMMMGPOBSA-N 1 0 212.274 0.063 20 30 BCEDRO CCNC(=[NH2+])NCC(=O)NCCc1ccccc1 ZINC000264096019 136281361 /nfs/dbraw/zinc/28/13/61/136281361.db2.gz MSOBAUGJSLUNLR-UHFFFAOYSA-N 1 0 248.330 0.270 20 30 BCEDRO C[C@@H](CC#N)NCCc1nnn(C(C)(C)C)n1 ZINC000602871307 349802387 /nfs/dbraw/zinc/80/23/87/349802387.db2.gz QOCLNDRXAABCBQ-VIFPVBQESA-N 1 0 236.323 0.862 20 30 BCEDRO C=CCOCCn1cc([C@H](C)[NH2+]C)nn1 ZINC000641030201 362144133 /nfs/dbraw/zinc/14/41/33/362144133.db2.gz UHKXKDAXHDNSSN-VIFPVBQESA-N 1 0 210.281 0.761 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@@H]1CCNC(=O)CC1 ZINC000602871429 349802745 /nfs/dbraw/zinc/80/27/45/349802745.db2.gz RBJBVFHUBCPFBF-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO C[C@](O)(CNC(N)=[NH2+])c1cccc(Cl)c1 ZINC000274080852 136284719 /nfs/dbraw/zinc/28/47/19/136284719.db2.gz NHPCAXOLPKPHMW-JTQLQIEISA-N 1 0 227.695 0.821 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](N2CCNC2=O)C1 ZINC000363375244 343241356 /nfs/dbraw/zinc/24/13/56/343241356.db2.gz RHGNJPTVKMTLAN-JTQLQIEISA-N 1 0 209.293 0.662 20 30 BCEDRO CC[N@H+](CCOCCC#N)C[C@H](C)O ZINC000339190472 136280516 /nfs/dbraw/zinc/28/05/16/136280516.db2.gz VDYNLNYEZUKTIW-JTQLQIEISA-N 1 0 200.282 0.619 20 30 BCEDRO OC[C@H]1CC[C@H](CO)[NH+]1CC#Cc1ccccc1 ZINC000287549040 136287813 /nfs/dbraw/zinc/28/78/13/136287813.db2.gz WHUHWASQWJPOIX-HUUCEWRRSA-N 1 0 245.322 0.856 20 30 BCEDRO CCN(CCC#N)C(=O)C[NH2+][C@@H](C)c1cn[nH]c1 ZINC000275148949 136285563 /nfs/dbraw/zinc/28/55/63/136285563.db2.gz GECGKJPCENQIQT-JTQLQIEISA-N 1 0 249.318 0.822 20 30 BCEDRO C[C@@H](CC#N)[NH2+]C[C@H](O)CC1(O)CCC1 ZINC000602871733 349803361 /nfs/dbraw/zinc/80/33/61/349803361.db2.gz VKTSJIDIMYTIDN-VHSXEESVSA-N 1 0 212.293 0.544 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H](CO)c2ccccc2)N1 ZINC000285033297 136287525 /nfs/dbraw/zinc/28/75/25/136287525.db2.gz KABIOMLMIVFQIK-ZYHUDNBSSA-N 1 0 233.315 0.700 20 30 BCEDRO C[N@H+](CCC(N)=O)Cc1ccc(OCC#N)cc1 ZINC000286602252 136287609 /nfs/dbraw/zinc/28/76/09/136287609.db2.gz WQBDSFFZHAHGCQ-UHFFFAOYSA-N 1 0 247.298 0.896 20 30 BCEDRO CC#CCN1CC[NH+](CC(C)(C)O)CC1 ZINC000070601428 343334121 /nfs/dbraw/zinc/33/41/21/343334121.db2.gz SMSUVUMBMSBVJO-UHFFFAOYSA-N 1 0 210.321 0.398 20 30 BCEDRO C=CCOCCC[N@@H+](C)CC(=O)NC1CC1 ZINC000347958843 136293491 /nfs/dbraw/zinc/29/34/91/136293491.db2.gz CTDLEIIGYBBTOI-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO CC[C@@H]1C[C@H](C)C[N@@H+]1CC(=O)NCC#N ZINC000075021564 343359993 /nfs/dbraw/zinc/35/99/93/343359993.db2.gz FROQNYQQSREYNW-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C(C)CCn1cc(C[C@H]([NH3+])COC)nn1 ZINC000641070101 362179435 /nfs/dbraw/zinc/17/94/35/362179435.db2.gz VTCVNFZTEWHIHI-JTQLQIEISA-N 1 0 224.308 0.761 20 30 BCEDRO C[C@@]1(CO)C[C@H](O)C[N@@H+]1CCCCC#N ZINC000602908409 349806848 /nfs/dbraw/zinc/80/68/48/349806848.db2.gz PFNQLOFNNFYIJU-QWRGUYRKSA-N 1 0 212.293 0.498 20 30 BCEDRO C[C@]1(CO)C[C@@H](O)C[N@@H+]1CCCCC#N ZINC000602908406 349807010 /nfs/dbraw/zinc/80/70/10/349807010.db2.gz PFNQLOFNNFYIJU-GHMZBOCLSA-N 1 0 212.293 0.498 20 30 BCEDRO C=CCOCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000669555268 488215885 /nfs/dbraw/zinc/21/58/85/488215885.db2.gz MLKLAILAQSPLQG-SNVBAGLBSA-N 1 0 227.308 0.226 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669555237 488215947 /nfs/dbraw/zinc/21/59/47/488215947.db2.gz KQAAZEKWOLOWES-LLVKDONJSA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCOCCNC(=O)N1CCCC[C@@H]1C[NH3+] ZINC000669555232 488216075 /nfs/dbraw/zinc/21/60/75/488216075.db2.gz KBNVBMDDRQBTEC-LLVKDONJSA-N 1 0 241.335 0.712 20 30 BCEDRO CCCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000040221760 343398620 /nfs/dbraw/zinc/39/86/20/343398620.db2.gz ZWWXVCAMEVDTBC-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000669555240 488216126 /nfs/dbraw/zinc/21/61/26/488216126.db2.gz KQKCJRMOAJJLRJ-SNVBAGLBSA-N 1 0 227.308 0.240 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000335692198 136325953 /nfs/dbraw/zinc/32/59/53/136325953.db2.gz CXTBIDRQCWMBKH-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO N#CCCCC[N@@H+]1CCO[C@H](Cn2ccnn2)C1 ZINC000602910370 349807693 /nfs/dbraw/zinc/80/76/93/349807693.db2.gz XMDPQFPJLRQXMP-LBPRGKRZSA-N 1 0 249.318 0.673 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CCN2CCCOCC2)C1 ZINC000349362270 136343006 /nfs/dbraw/zinc/34/30/06/136343006.db2.gz CPFNYNOTPPLZIN-STQMWFEESA-N 1 0 237.347 0.991 20 30 BCEDRO COCCN1CC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1 ZINC000349386503 136344284 /nfs/dbraw/zinc/34/42/84/136344284.db2.gz ZRMMRZBSLHBAOL-UPJWGTAASA-N 1 0 237.347 0.989 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)NC1(C#N)CCC1 ZINC000335723992 136346629 /nfs/dbraw/zinc/34/66/29/136346629.db2.gz GDPBWWSXVVWHGI-VIFPVBQESA-N 1 0 207.277 0.643 20 30 BCEDRO C=C(C)[C@H](CO)n1cc(C(C)(C)[NH2+]C)nn1 ZINC000641084914 362207273 /nfs/dbraw/zinc/20/72/73/362207273.db2.gz VPLZAAHEDCPHCZ-VIFPVBQESA-N 1 0 224.308 0.842 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc(C[NH2+]C2CC2)nn1 ZINC000641084773 362207358 /nfs/dbraw/zinc/20/73/58/362207358.db2.gz RYALOVCOQNBHQA-LLVKDONJSA-N 1 0 222.292 0.640 20 30 BCEDRO CC[N@H+](CC(=O)N(C)CCC#N)C1CC1 ZINC000034674459 136330419 /nfs/dbraw/zinc/33/04/19/136330419.db2.gz XFOSPKDJIHBOTQ-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO N#CCC1(CN2CCO[C@H](CC(N)=O)C2)CC1 ZINC000602916072 349808648 /nfs/dbraw/zinc/80/86/48/349808648.db2.gz FLZGOZLYLNQDKJ-SNVBAGLBSA-N 1 0 237.303 0.256 20 30 BCEDRO C=CCN(C(=O)[C@]1(COC)CC[NH2+]C1)C1CC1 ZINC000310342961 343450704 /nfs/dbraw/zinc/45/07/04/343450704.db2.gz NBOYGQMHDZZANY-CYBMUJFWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCN1CC[C@H](n2cc(C[NH2+]CC)nn2)C1=O ZINC000641108904 362227120 /nfs/dbraw/zinc/22/71/20/362227120.db2.gz NRQORHFQOUKSSX-NSHDSACASA-N 1 0 249.318 0.347 20 30 BCEDRO C[C@@H](O)C[N@@H+]1CCN(CCCC#N)[C@H](C)C1 ZINC000189556716 136372143 /nfs/dbraw/zinc/37/21/43/136372143.db2.gz VETYFPUCVFWGLS-VXGBXAGGSA-N 1 0 225.336 0.677 20 30 BCEDRO COc1ccc(OCCNC2=[NH+]CCN2C)cc1 ZINC000262674550 136374563 /nfs/dbraw/zinc/37/45/63/136374563.db2.gz SPUVQGDDSZJQNL-UHFFFAOYSA-N 1 0 249.314 0.965 20 30 BCEDRO C=C[C@H](O)C(=O)N(CCC)[C@@H]1CC[N@H+](C)C1 ZINC000616468343 343463139 /nfs/dbraw/zinc/46/31/39/343463139.db2.gz XIBZIYOQMKEDMS-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@H](O)C(=O)N(CCC)[C@H]1CC[N@H+](C)C1 ZINC000616468344 343463144 /nfs/dbraw/zinc/46/31/44/343463144.db2.gz XIBZIYOQMKEDMS-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO CO[C@@H](C[NH3+])C(=O)NCc1ccc(CC#N)cc1 ZINC000580553563 365758728 /nfs/dbraw/zinc/75/87/28/365758728.db2.gz IDAJEUJCNYAHEC-LBPRGKRZSA-N 1 0 247.298 0.343 20 30 BCEDRO C[C@@H](CS(C)(=O)=O)[NH2+]CC1(CC#N)CC1 ZINC000083854452 343502318 /nfs/dbraw/zinc/50/23/18/343502318.db2.gz VMCOSKVTAKYZQS-VIFPVBQESA-N 1 0 230.333 0.703 20 30 BCEDRO C=CCOCCNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399069738 488226520 /nfs/dbraw/zinc/22/65/20/488226520.db2.gz LQTQJLBXYIAYKX-SNVBAGLBSA-N 1 0 212.293 0.433 20 30 BCEDRO C=CCCC[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000379989610 365786163 /nfs/dbraw/zinc/78/61/63/365786163.db2.gz WWDRCMJXXXGLGV-GFCCVEGCSA-N 1 0 212.337 0.997 20 30 BCEDRO CO[C@@H]1C[N@H+](CC2(C#N)CC2)[C@@](C)(CO)C1 ZINC000602964241 349827151 /nfs/dbraw/zinc/82/71/51/349827151.db2.gz NQUOHTPDPJBAKG-WDEREUQCSA-N 1 0 224.304 0.762 20 30 BCEDRO COC[C@@](C)(CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000602933087 349823663 /nfs/dbraw/zinc/82/36/63/349823663.db2.gz QTSIYTSAUJEBHJ-ZYHUDNBSSA-N 1 0 244.335 0.274 20 30 BCEDRO C[N@H+](C[C@@H]1CNC(=O)C1)[C@@H]1CCC[C@H]1C#N ZINC000602981459 349830634 /nfs/dbraw/zinc/83/06/34/349830634.db2.gz DUEDZZUPMAGMOP-GARJFASQSA-N 1 0 221.304 0.747 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)C(C)(C)OC ZINC000340335772 343708938 /nfs/dbraw/zinc/70/89/38/343708938.db2.gz CRHVDRSBHIAXIL-SECBINFHSA-N 1 0 214.309 0.692 20 30 BCEDRO CC#CCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634711080 343701134 /nfs/dbraw/zinc/70/11/34/343701134.db2.gz IYCCNTJIFWUCID-LBPRGKRZSA-N 1 0 241.331 0.282 20 30 BCEDRO CC[N@H+](C)CCNc1ncncc1C#N ZINC000308990737 259368616 /nfs/dbraw/zinc/36/86/16/259368616.db2.gz VWBRZBYCHPASST-UHFFFAOYSA-N 1 0 205.265 0.712 20 30 BCEDRO C=C(CC)C[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000634715622 343707662 /nfs/dbraw/zinc/70/76/62/343707662.db2.gz GYHMPEWVVJYUMX-LBPRGKRZSA-N 1 0 243.347 0.835 20 30 BCEDRO C[NH+](C)CC(C)(C)CNc1ncncc1C#N ZINC000380153811 343684170 /nfs/dbraw/zinc/68/41/70/343684170.db2.gz SOMYYBILGPVTJE-UHFFFAOYSA-N 1 0 233.319 0.770 20 30 BCEDRO C[C@H](CCC#N)C[NH2+][C@@]1(CO)CCOC1 ZINC000380240700 343711134 /nfs/dbraw/zinc/71/11/34/343711134.db2.gz NFSNVTLNFXQXJB-GHMZBOCLSA-N 1 0 212.293 0.667 20 30 BCEDRO CC#CCNC(=O)N[C@H](CC[NH3+])C(F)F ZINC000418723739 192065078 /nfs/dbraw/zinc/06/50/78/192065078.db2.gz ZUCWZGNXDYWRAV-SSDOTTSWSA-N 1 0 219.235 0.291 20 30 BCEDRO N#CCc1ccc(CNC(=O)NCCC[NH3+])cc1 ZINC000576397581 343746284 /nfs/dbraw/zinc/74/62/84/343746284.db2.gz UYWRSAYEHLYJHH-UHFFFAOYSA-N 1 0 246.314 0.901 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCN(CCC#N)CC1 ZINC000603015419 349857236 /nfs/dbraw/zinc/85/72/36/349857236.db2.gz BJTFEMOKCBEVMU-GFCCVEGCSA-N 1 0 223.320 0.455 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@@H]([NH3+])CC ZINC000418730718 192065470 /nfs/dbraw/zinc/06/54/70/192065470.db2.gz PAYFXRHFGCRVDH-UWVGGRQHSA-N 1 0 229.324 0.208 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634723081 343764136 /nfs/dbraw/zinc/76/41/36/343764136.db2.gz ZQOZDXIPBUPWRE-UTUOFQBUSA-N 1 0 229.320 0.035 20 30 BCEDRO N#CCCCC(=O)N[C@H](CO)C[NH+]1CCCC1 ZINC000603052930 349861931 /nfs/dbraw/zinc/86/19/31/349861931.db2.gz PLFOSSALKONRBM-NSHDSACASA-N 1 0 239.319 0.253 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NCc1nnc(CC)[nH]1 ZINC000570482096 323060749 /nfs/dbraw/zinc/06/07/49/323060749.db2.gz UNMNJNXQYYIOOI-BDAKNGLRSA-N 1 0 222.292 0.800 20 30 BCEDRO CC#CCNC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000418744113 192066329 /nfs/dbraw/zinc/06/63/29/192066329.db2.gz DVLBVOHBLRPPOJ-LLVKDONJSA-N 1 0 223.320 0.841 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc([C@@H]([NH3+])C(C)C)nn1 ZINC000603234365 349892662 /nfs/dbraw/zinc/89/26/62/349892662.db2.gz KSVMYPJXFDISCV-ZJUUUORDSA-N 1 0 238.291 0.834 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)Cc1ccc(C#N)nc1 ZINC000602536264 343897929 /nfs/dbraw/zinc/89/79/29/343897929.db2.gz SMXSGUFMXVBVSV-SECBINFHSA-N 1 0 232.287 0.220 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc([C@](C)([NH3+])CC)nn1 ZINC000603233029 349892047 /nfs/dbraw/zinc/89/20/47/349892047.db2.gz HAFDXHMDHBCNRF-GZMMTYOYSA-N 1 0 238.291 0.762 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc([C@H]([NH3+])CCC)nn1 ZINC000603232406 349892056 /nfs/dbraw/zinc/89/20/56/349892056.db2.gz DUGUECASINWUMC-SCZZXKLOSA-N 1 0 238.291 0.978 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc(C(C)(C)[NH2+]C)nn1 ZINC000603234342 349892245 /nfs/dbraw/zinc/89/22/45/349892245.db2.gz KOZIQDHVMCZPMR-MRVPVSSYSA-N 1 0 238.291 0.633 20 30 BCEDRO C=CC[N@@H+](CCc1cn(C)nn1)[C@@H](C)COC ZINC000625530826 343920207 /nfs/dbraw/zinc/92/02/07/343920207.db2.gz UBODTXGUWOMYGC-NSHDSACASA-N 1 0 238.335 0.881 20 30 BCEDRO Cc1cc(C#N)nc(NCCOCC[NH+](C)C)n1 ZINC000234274434 343934503 /nfs/dbraw/zinc/93/45/03/343934503.db2.gz FJEGDAADULGAKC-UHFFFAOYSA-N 1 0 249.318 0.647 20 30 BCEDRO CN(C[C@@H]1CCC[N@@H+]1C)c1cncc(C#N)n1 ZINC000401333346 529949600 /nfs/dbraw/zinc/94/96/00/529949600.db2.gz OEMGIMUOBWQFLF-NSHDSACASA-N 1 0 231.303 0.879 20 30 BCEDRO Cc1ccnc(N2C[C@H]3C[NH2+]C[C@@H]3C2)c1C#N ZINC000135206720 343968221 /nfs/dbraw/zinc/96/82/21/343968221.db2.gz UJCAIVUNQOCBSJ-GHMZBOCLSA-N 1 0 228.299 0.917 20 30 BCEDRO C[C@H]1CC[C@](CO)([N@H+](C)CC(=O)NCC#N)C1 ZINC000187988715 259372429 /nfs/dbraw/zinc/37/24/29/259372429.db2.gz KJHUVTNMKZSHDD-JQWIXIFHSA-N 1 0 239.319 0.109 20 30 BCEDRO COCCN(CCC#N)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000395287045 344143901 /nfs/dbraw/zinc/14/39/01/344143901.db2.gz WZROVHWGPCBZCB-LLVKDONJSA-N 1 0 239.319 0.327 20 30 BCEDRO C=CCN(C(=O)[C@H]1C[NH2+]CCO1)C1CC1 ZINC000131293986 344230096 /nfs/dbraw/zinc/23/00/96/344230096.db2.gz VRYZCJIWRBDFOT-SNVBAGLBSA-N 1 0 210.277 0.152 20 30 BCEDRO C=CCNC(=O)CN1CCO[C@@H](C(F)F)CC1 ZINC000634751182 344201229 /nfs/dbraw/zinc/20/12/29/344201229.db2.gz MJQIMJPRSAXFJO-SECBINFHSA-N 1 0 248.273 0.645 20 30 BCEDRO C[C@H]1C[C@H](NC(=O)CSCC#N)CC[N@@H+]1C ZINC000408222465 344260975 /nfs/dbraw/zinc/26/09/75/344260975.db2.gz AONXDXXDZHKIHY-VHSXEESVSA-N 1 0 241.360 0.842 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccc(F)cn1 ZINC000294040264 344316898 /nfs/dbraw/zinc/31/68/98/344316898.db2.gz SKVNTXLBPOTLMB-UHFFFAOYSA-N 1 0 249.289 0.906 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2CCCC[C@@H]2O)CC1 ZINC000600736537 344365492 /nfs/dbraw/zinc/36/54/92/344365492.db2.gz BMLGBTUWKOSRJF-SRVKXCTJSA-N 1 0 238.331 0.934 20 30 BCEDRO C[C@H](O)CC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600738752 344366447 /nfs/dbraw/zinc/36/64/47/344366447.db2.gz MLLYNDYAARQLTC-UWVGGRQHSA-N 1 0 212.293 0.402 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CC2=CCCOC2)CC1 ZINC000600739225 344366628 /nfs/dbraw/zinc/36/66/28/344366628.db2.gz AHMVGBZLFFGCKR-LBPRGKRZSA-N 1 0 236.315 0.977 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]C2COCCOC2)CC1 ZINC000600739607 344366647 /nfs/dbraw/zinc/36/66/47/344366647.db2.gz QSZLVZDWUJPLJK-LLVKDONJSA-N 1 0 240.303 0.046 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCCn2ccnc2)CC1 ZINC000600714000 344362138 /nfs/dbraw/zinc/36/21/38/344362138.db2.gz NBYNMARRGZPCEU-GFCCVEGCSA-N 1 0 248.330 0.918 20 30 BCEDRO C[C@@H](Cn1ccnc1)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600715703 344362301 /nfs/dbraw/zinc/36/23/01/344362301.db2.gz HPYMFEGQVQTUCT-NWDGAFQWSA-N 1 0 248.330 0.916 20 30 BCEDRO C/C=C/C[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600745079 344368013 /nfs/dbraw/zinc/36/80/13/344368013.db2.gz QTIYYJNVYVZZLY-JGLYPNHGSA-N 1 0 238.331 0.958 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CCN(C3CC3)C2)CC1 ZINC000600723300 344363255 /nfs/dbraw/zinc/36/32/55/344363255.db2.gz XFNJMQMEUCKEBB-WCQYABFASA-N 1 0 249.358 0.867 20 30 BCEDRO C#CCC[N@@H+]1CC[C@H](N2CCOCC2)C1 ZINC000132812352 344308412 /nfs/dbraw/zinc/30/84/12/344308412.db2.gz SPVSKCODSJLMLT-LBPRGKRZSA-N 1 0 208.305 0.416 20 30 BCEDRO C[NH+]1CCC(Nc2ccnc(C#N)n2)CC1 ZINC000380742741 344437042 /nfs/dbraw/zinc/43/70/42/344437042.db2.gz SFQIGEIGPNQIGQ-UHFFFAOYSA-N 1 0 217.276 0.276 20 30 BCEDRO N#Cc1cncnc1NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000380738286 344437062 /nfs/dbraw/zinc/43/70/62/344437062.db2.gz KEVWVTSXLDQVGV-JTQLQIEISA-N 1 0 243.314 0.666 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]CCC2CC(O)C2)CC1 ZINC000600747745 344368942 /nfs/dbraw/zinc/36/89/42/344368942.db2.gz KHYHKUWSMYROBZ-MCIGGMRASA-N 1 0 238.331 0.792 20 30 BCEDRO COc1cc(C[NH2+][C@H](C)C(N)=O)ccc1C#N ZINC000234854915 344393854 /nfs/dbraw/zinc/39/38/54/344393854.db2.gz AENWXCJWDCRMOR-MRVPVSSYSA-N 1 0 233.271 0.530 20 30 BCEDRO N#CCC[C@H](C#N)CN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000381501263 344513348 /nfs/dbraw/zinc/51/33/48/344513348.db2.gz PHTQFKMSEJJERV-UTUOFQBUSA-N 1 0 218.304 0.581 20 30 BCEDRO N#Cc1cnccc1NCC[NH+]1CCCC1 ZINC000381621681 344526870 /nfs/dbraw/zinc/52/68/70/344526870.db2.gz CKGIPFRLDSEASD-UHFFFAOYSA-N 1 0 216.288 0.883 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)c2ccnc(C#N)c2)C1 ZINC000259024477 344529454 /nfs/dbraw/zinc/52/94/54/344529454.db2.gz OKBLYSMPBPPIHQ-NSHDSACASA-N 1 0 244.298 0.777 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]Cc1ccc(C#N)o1 ZINC000135518060 344530028 /nfs/dbraw/zinc/53/00/28/344530028.db2.gz JOJWMZJNOMWNLZ-SSDOTTSWSA-N 1 0 207.233 0.505 20 30 BCEDRO COC1CC([NH2+]C2CCN(CC#N)CC2)C1 ZINC000381713724 344539510 /nfs/dbraw/zinc/53/95/10/344539510.db2.gz KRJZCARLMCKWJM-UHFFFAOYSA-N 1 0 223.320 0.741 20 30 BCEDRO C[C@H](C[NH+]1CCCCC1)NC(=O)CC#N ZINC000044388150 344540087 /nfs/dbraw/zinc/54/00/87/344540087.db2.gz SCONBVGYCVTURR-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C[N@@H+]1CCC[C@H](NC(=O)c2cnccc2C#N)C1 ZINC000259186134 344550580 /nfs/dbraw/zinc/55/05/80/344550580.db2.gz WJSGGCVSUCEMAR-NSHDSACASA-N 1 0 244.298 0.777 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000044824036 344551367 /nfs/dbraw/zinc/55/13/67/344551367.db2.gz JEPNYOCMAZLNOY-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000044828248 344551989 /nfs/dbraw/zinc/55/19/89/344551989.db2.gz LZVGJDSJBMOZJK-BDAKNGLRSA-N 1 0 207.277 0.499 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CN1CCOC[C@@H]1C#N ZINC000260246273 344751450 /nfs/dbraw/zinc/75/14/50/344751450.db2.gz WYYNSIHLHOPWGJ-MNOVXSKESA-N 1 0 209.293 0.305 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CN1CCO[C@H](C#N)C1 ZINC000259799926 344692393 /nfs/dbraw/zinc/69/23/93/344692393.db2.gz URIYSHDODLRSGL-GHMZBOCLSA-N 1 0 209.293 0.305 20 30 BCEDRO C[C@@H](CO)C[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000609406179 344692860 /nfs/dbraw/zinc/69/28/60/344692860.db2.gz RUWBNDQCBRDAAL-ZJUUUORDSA-N 1 0 249.318 0.014 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1C[C@@H](O)C1 ZINC000626043352 344694223 /nfs/dbraw/zinc/69/42/23/344694223.db2.gz NSZVMRYADYYNCN-GARJFASQSA-N 1 0 226.320 0.380 20 30 BCEDRO C[C@H](CC#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000260049134 344704437 /nfs/dbraw/zinc/70/44/37/344704437.db2.gz PFABXHZUVNLICV-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO COCC#CCN1CC[NH+](CCCF)CC1 ZINC000626070897 344715808 /nfs/dbraw/zinc/71/58/08/344715808.db2.gz HDSUDEXGZAYABU-UHFFFAOYSA-N 1 0 228.311 0.613 20 30 BCEDRO C#CC[NH+](CC#C)CCC(=O)N1CCC[C@H]1C ZINC000076185762 344799667 /nfs/dbraw/zinc/79/96/67/344799667.db2.gz PMFILMQFUGGBAW-CYBMUJFWSA-N 1 0 232.327 0.956 20 30 BCEDRO CC#CCN1CC[NH+]([C@H](CC)CO)CC1 ZINC000075960518 344788873 /nfs/dbraw/zinc/78/88/73/344788873.db2.gz WJSAUROSIWJOEN-GFCCVEGCSA-N 1 0 210.321 0.398 20 30 BCEDRO C[C@H](O)CC[N@H+](C)[C@@H](C)C(=O)N(C)CCC#N ZINC000075779433 344791859 /nfs/dbraw/zinc/79/18/59/344791859.db2.gz KZGPQWZOYGWPQF-QWRGUYRKSA-N 1 0 241.335 0.450 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000076157326 344798679 /nfs/dbraw/zinc/79/86/79/344798679.db2.gz KVYMHFJKJALTFP-UHFFFAOYSA-N 1 0 238.331 0.791 20 30 BCEDRO C=CCCC[N@@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000077176926 344810210 /nfs/dbraw/zinc/81/02/10/344810210.db2.gz UIMKDNWVSQQTTD-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO C=CCCC[N@@H+](C)C[C@H](O)CN1CCOCC1 ZINC000077176925 344810318 /nfs/dbraw/zinc/81/03/18/344810318.db2.gz UIMKDNWVSQQTTD-ZDUSSCGKSA-N 1 0 242.363 0.578 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](CO)OC[C@@H]1C ZINC000153477447 344885235 /nfs/dbraw/zinc/88/52/35/344885235.db2.gz DUJSWDPFERMVFC-TUAOUCFPSA-N 1 0 229.320 0.395 20 30 BCEDRO C=CCNC(=O)[C@H]1CCC[N@@H+]1C1CCOCC1 ZINC000153557915 344903937 /nfs/dbraw/zinc/90/39/37/344903937.db2.gz HSEHQRUCRZRTLF-GFCCVEGCSA-N 1 0 238.331 0.932 20 30 BCEDRO CCOC[C@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000563008370 323079681 /nfs/dbraw/zinc/07/96/81/323079681.db2.gz WRJQKLUTXREODH-SNVBAGLBSA-N 1 0 212.293 0.667 20 30 BCEDRO CC#CCSc1nnnn1CC[NH+](C)C ZINC000078960391 344924535 /nfs/dbraw/zinc/92/45/35/344924535.db2.gz DWLGGGIRMOPWRW-UHFFFAOYSA-N 1 0 225.321 0.350 20 30 BCEDRO C=CC[N@@H+](C)CCC(=O)N(C)CCC#N ZINC000121291464 344919626 /nfs/dbraw/zinc/91/96/26/344919626.db2.gz CMNOMZPTJHYSOL-UHFFFAOYSA-N 1 0 209.293 0.866 20 30 BCEDRO C=CCOCC[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000330445590 344920628 /nfs/dbraw/zinc/92/06/28/344920628.db2.gz HANDYDULPQJNRY-VHSXEESVSA-N 1 0 212.293 0.303 20 30 BCEDRO COC(=O)[C@H]1C[C@@H]([NH2+]C[C@H](C#N)CCC#N)C1 ZINC000583436028 344952889 /nfs/dbraw/zinc/95/28/89/344952889.db2.gz OQNBFBGBBCQZDY-GARJFASQSA-N 1 0 235.287 0.971 20 30 BCEDRO CN(C(=O)CSCC#N)[C@H]1CCC[N@H+](C)C1 ZINC000153790262 344977275 /nfs/dbraw/zinc/97/72/75/344977275.db2.gz FMMHTBXKIHREMP-JTQLQIEISA-N 1 0 241.360 0.796 20 30 BCEDRO CC(C)(C#N)CCC[NH+]1CCN(CCO)CC1 ZINC000087607117 534982812 /nfs/dbraw/zinc/98/28/12/534982812.db2.gz OMQSUVFCCZULPJ-UHFFFAOYSA-N 1 0 239.363 0.926 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C(C)C)CC1 ZINC000079873223 345047951 /nfs/dbraw/zinc/04/79/51/345047951.db2.gz XPBMSIOPESQEQP-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO CC#CCCSc1nnnn1CC[NH+](C)C ZINC000155267883 345075397 /nfs/dbraw/zinc/07/53/97/345075397.db2.gz LSVXFEPXPVMCKT-UHFFFAOYSA-N 1 0 239.348 0.740 20 30 BCEDRO C[C@H](C#N)NC(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000155062073 345065225 /nfs/dbraw/zinc/06/52/25/345065225.db2.gz MADGDFIRVSOEAP-RKDXNWHRSA-N 1 0 227.333 0.452 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000155890112 345104930 /nfs/dbraw/zinc/10/49/30/345104930.db2.gz YMWLXDLKTMCIHZ-VIFPVBQESA-N 1 0 218.322 0.186 20 30 BCEDRO C=CCN1CC[C@H](N(C)CC23CC(C2)C[NH2+]3)C1=O ZINC000634994699 345182600 /nfs/dbraw/zinc/18/26/00/345182600.db2.gz KUDMANUCDCKGAC-LXVYMNJGSA-N 1 0 249.358 0.457 20 30 BCEDRO C=C(C)COCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634968329 345143948 /nfs/dbraw/zinc/14/39/48/345143948.db2.gz MDJAHARGMDHNFB-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C=C(C)COCC[NH2+][C@H]1CCNC(=O)CC1 ZINC000634968328 345144090 /nfs/dbraw/zinc/14/40/90/345144090.db2.gz MDJAHARGMDHNFB-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCNC(=O)CC1 ZINC000634975096 345150947 /nfs/dbraw/zinc/15/09/47/345150947.db2.gz RBPMBUJYTHAWCW-WDEREUQCSA-N 1 0 226.320 0.429 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)Cn1ccnc1C[NH3+] ZINC000600965871 345250232 /nfs/dbraw/zinc/25/02/32/345250232.db2.gz CNRJPWWIAFDGAV-JTQLQIEISA-N 1 0 249.318 0.350 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000678800089 488284945 /nfs/dbraw/zinc/28/49/45/488284945.db2.gz AUFOADIZAWXMGU-NWDGAFQWSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCCNC(=O)[C@H]1CC[NH2+][C@@H]1C(C)C ZINC000368103319 345217674 /nfs/dbraw/zinc/21/76/74/345217674.db2.gz UWYLJOZXGKPDBC-WDEREUQCSA-N 1 0 208.305 0.760 20 30 BCEDRO C=C(Cl)C[N@H+]1CC[C@H](CC(N)=O)C1 ZINC000367988525 345220952 /nfs/dbraw/zinc/22/09/52/345220952.db2.gz LIKVVKNMNPOJLJ-MRVPVSSYSA-N 1 0 202.685 0.936 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@H](C)[C@@H]1C ZINC000248356472 345365985 /nfs/dbraw/zinc/36/59/85/345365985.db2.gz OIZYEJWNJNSLSF-UWVGGRQHSA-N 1 0 239.319 0.729 20 30 BCEDRO CC[C@@H](C(=O)N1CCOC[C@H]1C#N)[NH+](C)C ZINC000408471549 345328836 /nfs/dbraw/zinc/32/88/36/345328836.db2.gz SRVSECQJXNHVMQ-ZJUUUORDSA-N 1 0 225.292 0.078 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000159191699 345407774 /nfs/dbraw/zinc/40/77/74/345407774.db2.gz FHJUKXNJEOLGBA-SDDRHHMPSA-N 1 0 240.347 0.912 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)c1ccc(C#N)cc1 ZINC000082573698 345436892 /nfs/dbraw/zinc/43/68/92/345436892.db2.gz RBGKTEFCZXEWNS-MRVPVSSYSA-N 1 0 203.245 0.635 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCCCNC2=O)C1 ZINC000331688370 345438390 /nfs/dbraw/zinc/43/83/90/345438390.db2.gz WLYKFZVRSPJWCE-VWYCJHECSA-N 1 0 221.304 0.937 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCOC[C@@H]1C[C@H](C)O ZINC000248633190 345438523 /nfs/dbraw/zinc/43/85/23/345438523.db2.gz SAKRWOMKZLNADX-AVGNSLFASA-N 1 0 243.347 0.785 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NC[C@@H](C)[NH+](C)C ZINC000136230975 345490220 /nfs/dbraw/zinc/49/02/20/345490220.db2.gz SHYWCBPTJNSXTH-MWLCHTKSSA-N 1 0 211.309 0.993 20 30 BCEDRO CC[N@H+](C)CCNC(=O)[C@](C)(C#N)CC ZINC000136240033 345492034 /nfs/dbraw/zinc/49/20/34/345492034.db2.gz YEIDRPQVDWSRRE-NSHDSACASA-N 1 0 211.309 0.994 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@H+]2CCC[C@@H]2C)CC1 ZINC000081396378 345472622 /nfs/dbraw/zinc/47/26/22/345472622.db2.gz RNPNPQXOBYTXSE-ZDUSSCGKSA-N 1 0 249.358 0.248 20 30 BCEDRO N#CCn1cc(C[NH2+]C2CCCC2)nn1 ZINC000600973684 345550540 /nfs/dbraw/zinc/55/05/40/345550540.db2.gz WRIUQJPXUSLPAK-UHFFFAOYSA-N 1 0 205.265 0.834 20 30 BCEDRO C=CCCC[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000092843205 345644466 /nfs/dbraw/zinc/64/44/66/345644466.db2.gz KOOCTXKGROZMMU-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](O)C(F)(F)F ZINC000563138064 323094959 /nfs/dbraw/zinc/09/49/59/323094959.db2.gz KHTRBYUHTQUQJA-YUMQZZPRSA-N 1 0 227.226 0.684 20 30 BCEDRO C#CCNC(=O)c1ccc2c(c1)CC[NH2+]CC2 ZINC000140557867 345811756 /nfs/dbraw/zinc/81/17/56/345811756.db2.gz IQWWVHFYVBHAJE-UHFFFAOYSA-N 1 0 228.295 0.738 20 30 BCEDRO CC[C@@H](CC#N)[NH2+][C@@H](C)COCC(=O)OC ZINC000449243101 201846641 /nfs/dbraw/zinc/84/66/41/201846641.db2.gz IFUHNXAGLHXGRF-UWVGGRQHSA-N 1 0 228.292 0.846 20 30 BCEDRO C#C[C@H]([NH2+]CN1CCC(=O)CC1)C(C)C ZINC000289319452 166219217 /nfs/dbraw/zinc/21/92/17/166219217.db2.gz FOLGRQDIFUPJKL-LBPRGKRZSA-N 1 0 208.305 0.856 20 30 BCEDRO C[C@@H]1CSCC[N@H+](CC(=O)NCC#N)C1 ZINC000190428564 345977653 /nfs/dbraw/zinc/97/76/53/345977653.db2.gz SSRUYGFZCZVFPR-VIFPVBQESA-N 1 0 227.333 0.311 20 30 BCEDRO N#CCN1CCC([NH2+]Cc2ccc(=O)[nH]c2)CC1 ZINC000601106403 346061186 /nfs/dbraw/zinc/06/11/86/346061186.db2.gz QPRIXZHRFVUBDD-UHFFFAOYSA-N 1 0 246.314 0.865 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635798251 346066754 /nfs/dbraw/zinc/06/67/54/346066754.db2.gz YADXDZKXIIERMK-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO CNC(NCc1cccnc1OC)=[NH+]C ZINC000161492494 346221960 /nfs/dbraw/zinc/22/19/60/346221960.db2.gz BGFDSLJEFZLTNH-UHFFFAOYSA-N 1 0 208.265 0.385 20 30 BCEDRO C[C@@H](O)C[N@@H+](CC#Cc1ccccc1)CCO ZINC000289381082 346258789 /nfs/dbraw/zinc/25/87/89/346258789.db2.gz CIADREMGNMUAOE-CYBMUJFWSA-N 1 0 233.311 0.713 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000636116119 346323396 /nfs/dbraw/zinc/32/33/96/346323396.db2.gz NFOZLMQLLQDJCY-NRUUGDAUSA-N 1 0 240.347 0.768 20 30 BCEDRO CC[C@@H]1[C@@H](C(=O)NC[C@H](C)C#N)CC[N@@H+]1C ZINC000601141056 346349432 /nfs/dbraw/zinc/34/94/32/346349432.db2.gz GWVHIZFCXXNSRB-OUAUKWLOSA-N 1 0 223.320 0.993 20 30 BCEDRO C=CC[C@H](CC)NC(=O)C(=O)N[C@@H](C)CC[NH3+] ZINC000419131917 192100796 /nfs/dbraw/zinc/10/07/96/192100796.db2.gz FADOANACRMJFRT-UWVGGRQHSA-N 1 0 241.335 0.311 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cnc(C)n1C ZINC000641766685 362699729 /nfs/dbraw/zinc/69/97/29/362699729.db2.gz AHBBYVFMBADZRE-LLVKDONJSA-N 1 0 221.304 0.592 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCO[C@H](C)C1 ZINC000641767097 362700964 /nfs/dbraw/zinc/70/09/64/362700964.db2.gz GTEVVIKOITUOEP-GRYCIOLGSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1ccn(C)c1 ZINC000641767294 362701342 /nfs/dbraw/zinc/70/13/42/362701342.db2.gz IJCGYLZJAAGFBN-LBPRGKRZSA-N 1 0 206.289 0.889 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cncn1CC ZINC000641767894 362702595 /nfs/dbraw/zinc/70/25/95/362702595.db2.gz SBAUHDXPEACRCI-LLVKDONJSA-N 1 0 221.304 0.767 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cnc(C)nc1 ZINC000641769675 362704504 /nfs/dbraw/zinc/70/45/04/362704504.db2.gz XVEGGCYPQYYNLY-GFCCVEGCSA-N 1 0 219.288 0.649 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCn2cncn2)C1 ZINC000381792039 346404813 /nfs/dbraw/zinc/40/48/13/346404813.db2.gz AJVLESCISBQEES-WDEREUQCSA-N 1 0 219.292 0.950 20 30 BCEDRO C=C[C@@H](CO)NCc1ccc(C(=O)OC)o1 ZINC000291472820 346389297 /nfs/dbraw/zinc/38/92/97/346389297.db2.gz FAZCGDWLGZAPFW-QMMMGPOBSA-N 1 0 225.244 0.703 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000320075886 346444912 /nfs/dbraw/zinc/44/49/12/346444912.db2.gz ARSXWYJEJYOSSC-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO COCCC(=O)N(CCC#N)CCC[NH+](C)C ZINC000170813913 346453122 /nfs/dbraw/zinc/45/31/22/346453122.db2.gz MAGWPXZCIRUKJC-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO N#CCN1CCC([NH2+]Cc2cc[nH]n2)CC1 ZINC000381812962 346472668 /nfs/dbraw/zinc/47/26/68/346472668.db2.gz IIGZRACDBUMZDQ-UHFFFAOYSA-N 1 0 219.292 0.487 20 30 BCEDRO C=CCNC(=O)[C@H](C)N[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000641802698 362762467 /nfs/dbraw/zinc/76/24/67/362762467.db2.gz ARFJACLYLVOCAW-IVZWLZJFSA-N 1 0 225.336 0.393 20 30 BCEDRO C=CCN1CC[C@H](N[C@H]2C[C@H]([NH3+])C2(C)C)C1=O ZINC000641801415 362754921 /nfs/dbraw/zinc/75/49/21/362754921.db2.gz QMSBNEAJTDGYGC-DCAQKATOSA-N 1 0 237.347 0.489 20 30 BCEDRO CN1CC[C@](O)(C[NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000309553802 347099419 /nfs/dbraw/zinc/09/94/19/347099419.db2.gz JBFHXLYYSRFDEK-TUAOUCFPSA-N 1 0 223.320 0.335 20 30 BCEDRO NC(=[NH2+])NCCCNC(=O)c1ccccc1 ZINC000203725857 346541571 /nfs/dbraw/zinc/54/15/71/346541571.db2.gz ZCDGQWLMBZASPW-UHFFFAOYSA-N 1 0 220.276 0.080 20 30 BCEDRO C[C@H]1[C@H]([NH+](C)C)CCN1c1cncc(C#N)n1 ZINC000401318484 346577695 /nfs/dbraw/zinc/57/76/95/346577695.db2.gz FGPPLEOIHBXEOX-GXSJLCMTSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@H]1[C@@H]([NH+](C)C)CCN1c1cncc(C#N)n1 ZINC000401318490 346577856 /nfs/dbraw/zinc/57/78/56/346577856.db2.gz FGPPLEOIHBXEOX-ONGXEEELSA-N 1 0 231.303 0.877 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@H]2CCC[C@H]21 ZINC000491122047 346587308 /nfs/dbraw/zinc/58/73/08/346587308.db2.gz SXWNFICGSMOFTP-NEPJUHHUSA-N 1 0 236.315 0.379 20 30 BCEDRO C[C@@H]1CN(c2cncc(C#N)n2)C[C@@H]1[NH+](C)C ZINC000401327125 346589857 /nfs/dbraw/zinc/58/98/57/346589857.db2.gz LMVHHHULLVBLEE-KOLCDFICSA-N 1 0 231.303 0.735 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCO[C@H]1C1CC1 ZINC000377273606 346616087 /nfs/dbraw/zinc/61/60/87/346616087.db2.gz PLBQHVRBGZDTRF-PWSUYJOCSA-N 1 0 224.304 0.446 20 30 BCEDRO C=CCOc1ccccc1C(=O)NCC[NH3+] ZINC000005830828 346632454 /nfs/dbraw/zinc/63/24/54/346632454.db2.gz VETZPJBOQUZKSD-UHFFFAOYSA-N 1 0 220.272 0.940 20 30 BCEDRO C[C@@H]1C[N@H+](C)CCN1c1cncc(C#N)n1 ZINC000401350623 346635659 /nfs/dbraw/zinc/63/56/59/346635659.db2.gz XIBNHIWBGSWYGQ-SECBINFHSA-N 1 0 217.276 0.489 20 30 BCEDRO CO[C@@H]1COC[C@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000580189275 346638175 /nfs/dbraw/zinc/63/81/75/346638175.db2.gz LEAORCJULOVUDL-GWOFURMSSA-N 1 0 210.277 0.682 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CSC[C@@H]1C ZINC000380065524 365837670 /nfs/dbraw/zinc/83/76/70/365837670.db2.gz BYEZOLLFJPGBIG-GUBZILKMSA-N 1 0 226.345 0.465 20 30 BCEDRO CCc1nc(C#N)cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000308242442 346764822 /nfs/dbraw/zinc/76/48/22/346764822.db2.gz NQSCKNXVWIPLES-UWVGGRQHSA-N 1 0 243.314 0.566 20 30 BCEDRO CCc1nc(C#N)cc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000308242438 346764950 /nfs/dbraw/zinc/76/49/50/346764950.db2.gz NQSCKNXVWIPLES-AOOOYVTPSA-N 1 0 243.314 0.566 20 30 BCEDRO C[C@@H](CNC(=O)c1cccc(C#N)n1)C[NH+](C)C ZINC000590041992 346766371 /nfs/dbraw/zinc/76/63/71/346766371.db2.gz NAKNXPWZMIGKGC-JTQLQIEISA-N 1 0 246.314 0.881 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3ccc(C#N)[nH]3)[C@H]2C1 ZINC000590046999 346767638 /nfs/dbraw/zinc/76/76/38/346767638.db2.gz RVCSPOILAQYRKV-SKDRFNHKSA-N 1 0 244.298 0.662 20 30 BCEDRO COCC[N@H+](C[C@@H](C)CCC#N)[C@@H](C)C(N)=O ZINC000589820467 346738734 /nfs/dbraw/zinc/73/87/34/346738734.db2.gz QRXBAMVTHWTJPG-QWRGUYRKSA-N 1 0 241.335 0.748 20 30 BCEDRO C[C@@H](CCC#N)C[N@@H+]1CCN(CCO)[C@@H](C)C1 ZINC000589822792 346739511 /nfs/dbraw/zinc/73/95/11/346739511.db2.gz TZBOBKYUMQWEKO-STQMWFEESA-N 1 0 239.363 0.925 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCN(C(=O)c3c[nH]c(C#N)c3)[C@@H]2C1 ZINC000589941361 346754385 /nfs/dbraw/zinc/75/43/85/346754385.db2.gz DVWYBSBICIIUNE-JOYOIKCWSA-N 1 0 244.298 0.662 20 30 BCEDRO C[C@@H](CNC(=O)CC1(C#N)CC1)[NH+](C)C ZINC000590153221 346783844 /nfs/dbraw/zinc/78/38/44/346783844.db2.gz CPYIBDCCZXUHEG-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C[N@H+](CCOCCC#N)Cc1cn[nH]c1 ZINC000590167270 346785731 /nfs/dbraw/zinc/78/57/31/346785731.db2.gz IPJYKHDRGPDRKX-UHFFFAOYSA-N 1 0 208.265 0.772 20 30 BCEDRO C[N@H+](CCNC(=O)CC1(C#N)CC1)C1CC1 ZINC000590180030 346788530 /nfs/dbraw/zinc/78/85/30/346788530.db2.gz MEBVLPZUYOBOLJ-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@H](C)COC ZINC000188233322 346795857 /nfs/dbraw/zinc/79/58/57/346795857.db2.gz RRLHXJYHJRVTKV-VIFPVBQESA-N 1 0 200.282 0.161 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2C(=O)CC2(C#N)CC2)C1 ZINC000590444172 347118304 /nfs/dbraw/zinc/11/83/04/347118304.db2.gz LSRNWIUXFRIZPG-QWRGUYRKSA-N 1 0 233.315 0.843 20 30 BCEDRO C=C[C@@H](CO)NCc1ncc(CN(C)C)s1 ZINC000309678736 347134365 /nfs/dbraw/zinc/13/43/65/347134365.db2.gz YUPJBZGKHCMHDJ-VIFPVBQESA-N 1 0 241.360 0.841 20 30 BCEDRO C=CCN1CCC([NH2+][C@H](C)CC(N)=O)CC1 ZINC000309782533 347163070 /nfs/dbraw/zinc/16/30/70/347163070.db2.gz ROAXCQVVRRHCRI-SNVBAGLBSA-N 1 0 225.336 0.490 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C[NH+](CC)CC ZINC000185696594 347209726 /nfs/dbraw/zinc/20/97/26/347209726.db2.gz OKTCDIJZHASANJ-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C[C@@H]1OCC[C@]1(O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309828942 347177680 /nfs/dbraw/zinc/17/76/80/347177680.db2.gz XZBMYNPXQPGAJA-YFKTTZPYSA-N 1 0 224.304 0.808 20 30 BCEDRO C=CCC[N@@H+](C)CCN1C(=O)CCC1=O ZINC000276391090 166256540 /nfs/dbraw/zinc/25/65/40/166256540.db2.gz JJGUNKQPJKWRJL-UHFFFAOYSA-N 1 0 210.277 0.643 20 30 BCEDRO C=CCOCCN[C@H](C)c1nncn1C ZINC000336760713 347262412 /nfs/dbraw/zinc/26/24/12/347262412.db2.gz MLZOHXOQGUJFES-SECBINFHSA-N 1 0 210.281 0.668 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)NC[C@@H]1CCCO1 ZINC000276382949 166257125 /nfs/dbraw/zinc/25/71/25/166257125.db2.gz IIVGHUZNFOHPRZ-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N1CCC([NH3+])CC1 ZINC000157680005 136730674 /nfs/dbraw/zinc/73/06/74/136730674.db2.gz OLMDFMGCGXIIPW-JTQLQIEISA-N 1 0 226.320 0.917 20 30 BCEDRO C[C@@H]([NH2+]CCn1cnc(C#N)n1)C1CCOCC1 ZINC000353987626 136744946 /nfs/dbraw/zinc/74/49/46/136744946.db2.gz QMJRRKLCYLBYHU-SNVBAGLBSA-N 1 0 249.318 0.554 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@]1(C)CCO[C@H]1C ZINC000336764284 347374616 /nfs/dbraw/zinc/37/46/16/347374616.db2.gz QACQKQYECLTSPZ-GXSJLCMTSA-N 1 0 212.293 0.446 20 30 BCEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N1CC(C#N)C1 ZINC000590486375 347376395 /nfs/dbraw/zinc/37/63/95/347376395.db2.gz JUVZYEDSZSIWLI-LLVKDONJSA-N 1 0 221.304 0.843 20 30 BCEDRO C[C@@H]1CC[C@H](C)[N@H+]1CC(=O)N1CC(C#N)C1 ZINC000590488952 347383771 /nfs/dbraw/zinc/38/37/71/347383771.db2.gz YQFCPLHBBSWFFM-AOOOYVTPSA-N 1 0 221.304 0.841 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CC1(O)CCOCC1 ZINC000088034182 362835815 /nfs/dbraw/zinc/83/58/15/362835815.db2.gz FWFJRXQQWWSPQM-JTQLQIEISA-N 1 0 212.293 0.810 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCN1CCOCC1 ZINC000036679795 347433984 /nfs/dbraw/zinc/43/39/84/347433984.db2.gz JSVHYPHTOBLHLN-NSHDSACASA-N 1 0 211.309 0.600 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CCC[C@](CO)(OC)C1 ZINC000401635541 347435716 /nfs/dbraw/zinc/43/57/16/347435716.db2.gz CRVSSUARZWOZMT-PWSUYJOCSA-N 1 0 243.303 0.187 20 30 BCEDRO [NH2+]=C(NCCc1cn2ccccc2n1)NC1CC1 ZINC000195522259 347457393 /nfs/dbraw/zinc/45/73/93/347457393.db2.gz KGWIOHNMYLLKNN-UHFFFAOYSA-N 1 0 243.314 0.944 20 30 BCEDRO C#CCNC(=O)NCCOCC[NH+](CC)CC ZINC000490932891 362846225 /nfs/dbraw/zinc/84/62/25/362846225.db2.gz BPNYIZCAGCNMOZ-UHFFFAOYSA-N 1 0 241.335 0.277 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[NH2+]CC1CC1 ZINC000063093286 347505951 /nfs/dbraw/zinc/50/59/51/347505951.db2.gz JDCZBZNLOKJLES-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617002831 347574652 /nfs/dbraw/zinc/57/46/52/347574652.db2.gz OQIRWNPYGVBTKS-QWRGUYRKSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H]1CC[N@H+]1C(C)(C)C ZINC000617007716 347577335 /nfs/dbraw/zinc/57/73/35/347577335.db2.gz YXRGDFSODUGILU-UWVGGRQHSA-N 1 0 226.320 0.522 20 30 BCEDRO C#CCCNC(=O)[C@H]1CCc2nccn2C1 ZINC000364953553 347604478 /nfs/dbraw/zinc/60/44/78/347604478.db2.gz LNHHEDPPSTYEAJ-JTQLQIEISA-N 1 0 217.272 0.585 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH+]1CC(C2CC2)C1 ZINC000591241516 347632867 /nfs/dbraw/zinc/63/28/67/347632867.db2.gz XKTZPMVSTJVTEU-CYBMUJFWSA-N 1 0 237.347 0.535 20 30 BCEDRO C[C@H](NC(=O)NCC[NH3+])c1cccc(C#N)c1 ZINC000591354575 347643859 /nfs/dbraw/zinc/64/38/59/347643859.db2.gz VZEVUYGKOJJQCV-VIFPVBQESA-N 1 0 232.287 0.877 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000591358750 347645149 /nfs/dbraw/zinc/64/51/49/347645149.db2.gz AKTCXPGOXYMSSA-GHMZBOCLSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000591359977 347645244 /nfs/dbraw/zinc/64/52/44/347645244.db2.gz SALMXSSWNUSCRP-CMPLNLGQSA-N 1 0 238.335 0.916 20 30 BCEDRO N#C[C@]1(F)CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000591359449 347645376 /nfs/dbraw/zinc/64/53/76/347645376.db2.gz GQMVPECJPSNTKR-GXSJLCMTSA-N 1 0 240.282 0.386 20 30 BCEDRO N#C[C@]1(C(=O)N2C[C@@H]3CCC[C@H]3C2)CC[NH2+]C1 ZINC000591615705 347679404 /nfs/dbraw/zinc/67/94/04/347679404.db2.gz SRRFBZAIOQSLNO-GMXVVIOVSA-N 1 0 233.315 0.748 20 30 BCEDRO COC[C@@H]1CCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000591625980 347680315 /nfs/dbraw/zinc/68/03/15/347680315.db2.gz PRAHCXQCFYLWDQ-WDEREUQCSA-N 1 0 239.319 0.645 20 30 BCEDRO CCOCC[C@@H](O)C[NH2+]CCCC#N ZINC000591759431 347691881 /nfs/dbraw/zinc/69/18/81/347691881.db2.gz NJVMAWQMXFSFEV-SNVBAGLBSA-N 1 0 200.282 0.667 20 30 BCEDRO C[N@H+](C[C@@H](O)CNCC(C)(C)C#N)C1CC1 ZINC000591759828 347692473 /nfs/dbraw/zinc/69/24/73/347692473.db2.gz YROMUNIQLJCKSR-NSHDSACASA-N 1 0 225.336 0.581 20 30 BCEDRO C=CCOCCNC(=O)N1CCC[N@@H+](C)CC1 ZINC000679629228 488360474 /nfs/dbraw/zinc/36/04/74/488360474.db2.gz SMIFOOPEOPFXDY-UHFFFAOYSA-N 1 0 241.335 0.536 20 30 BCEDRO C[C@@H](Nc1cncc(C#N)n1)[C@@H]1CN(C)CCO1 ZINC000591460871 347665491 /nfs/dbraw/zinc/66/54/91/347665491.db2.gz CYDURGFEEVQOHH-KOLCDFICSA-N 1 0 247.302 0.479 20 30 BCEDRO CC[C@@H](C)NC(=O)CN1CC[C@@](O)(CC#N)C1 ZINC000592147422 347739872 /nfs/dbraw/zinc/73/98/72/347739872.db2.gz LOZRLFZBBFZAGO-PWSUYJOCSA-N 1 0 239.319 0.252 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](C[C@H]2CCCOC2)C1 ZINC000592149921 347740933 /nfs/dbraw/zinc/74/09/33/347740933.db2.gz ZXMFYKCNXIPKDW-NEPJUHHUSA-N 1 0 224.304 0.763 20 30 BCEDRO COc1cccc(CN2CC[C@@](O)(CC#N)C2)n1 ZINC000592149960 347740955 /nfs/dbraw/zinc/74/09/55/347740955.db2.gz AFFDRYHONMUWMK-ZDUSSCGKSA-N 1 0 247.298 0.941 20 30 BCEDRO CC1(C[N@@H+]2CC[C@](O)(CC#N)C2)COC1 ZINC000592152362 347743114 /nfs/dbraw/zinc/74/31/14/347743114.db2.gz WKKFMPCTAYCOEW-LLVKDONJSA-N 1 0 210.277 0.373 20 30 BCEDRO CC(C)[C@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592154567 347744785 /nfs/dbraw/zinc/74/47/85/347744785.db2.gz UEPAPYFGGPFLEH-MNOVXSKESA-N 1 0 212.293 0.354 20 30 BCEDRO CO[C@H](C[N@@H+]1CC[C@@](O)(CC#N)C1)C1CC1 ZINC000592154915 347745480 /nfs/dbraw/zinc/74/54/80/347745480.db2.gz WFSGRQHWJJSRJZ-NEPJUHHUSA-N 1 0 224.304 0.762 20 30 BCEDRO CCOC(=O)c1cnn(CC2C[NH2+]C2)c1C#N ZINC000592163697 347746024 /nfs/dbraw/zinc/74/60/24/347746024.db2.gz GEIURVBENLWWQS-UHFFFAOYSA-N 1 0 234.259 0.151 20 30 BCEDRO Cn1cccc1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592523622 347794600 /nfs/dbraw/zinc/79/46/00/347794600.db2.gz OWIZYLIIFIPYHT-GFCCVEGCSA-N 1 0 219.288 0.876 20 30 BCEDRO CC1(OCC(=O)N[C@@H]2CC[C@H](C#N)C2)C[NH2+]C1 ZINC000592567994 347798187 /nfs/dbraw/zinc/79/81/87/347798187.db2.gz IOJNJEGKASRNBY-VHSXEESVSA-N 1 0 237.303 0.173 20 30 BCEDRO C[C@@H](C[NH3+])C(=O)NCc1ccc(CC#N)cc1 ZINC000592568307 347798363 /nfs/dbraw/zinc/79/83/63/347798363.db2.gz GHFXPGOHIZUJSS-JTQLQIEISA-N 1 0 231.299 0.964 20 30 BCEDRO C[C@@H]1[C@H](C(=O)NCC(C)(C)C#N)CC[N@@H+]1C ZINC000592785180 347816713 /nfs/dbraw/zinc/81/67/13/347816713.db2.gz IVSWYGLNKUVPKN-NXEZZACHSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N2CC(C)(C#N)C2)CC[N@@H+]1C ZINC000592796334 347819638 /nfs/dbraw/zinc/81/96/38/347819638.db2.gz QSUIQVBFWJODIS-NXEZZACHSA-N 1 0 221.304 0.699 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CC[C@@](O)(CC#N)C1 ZINC000592837411 347820097 /nfs/dbraw/zinc/82/00/97/347820097.db2.gz ALORXTYMQOYJSC-LBPRGKRZSA-N 1 0 239.319 0.204 20 30 BCEDRO CC[C@@H](C(=O)N1CC[C@](O)(CC#N)C1)[NH+](C)C ZINC000592844841 347821710 /nfs/dbraw/zinc/82/17/10/347821710.db2.gz GIISXULBBUACBW-CMPLNLGQSA-N 1 0 239.319 0.204 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CCO)CC(C)(C)C ZINC000592894948 347828880 /nfs/dbraw/zinc/82/88/80/347828880.db2.gz BOABMZDWZZSUKH-UHFFFAOYSA-N 1 0 228.336 0.629 20 30 BCEDRO N#CCC[NH2+]C[C@@H](CO)Cc1ccco1 ZINC000592430793 347785609 /nfs/dbraw/zinc/78/56/09/347785609.db2.gz GOHZMGRYHQOVID-JTQLQIEISA-N 1 0 208.261 0.934 20 30 BCEDRO C=CCCCN1CCC[NH2+]C[C@@H]1C(=O)OC ZINC000592487605 347786819 /nfs/dbraw/zinc/78/68/19/347786819.db2.gz DYCPGODSHIKFMP-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C[C@H]([NH3+])[C@H]1CN(Cc2ccncc2C#N)CCO1 ZINC000592475599 347791594 /nfs/dbraw/zinc/79/15/94/347791594.db2.gz PLHXQIWDAYPUPK-GXFFZTMASA-N 1 0 246.314 0.501 20 30 BCEDRO C[C@H](CF)[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000592513394 347792751 /nfs/dbraw/zinc/79/27/51/347792751.db2.gz AFWNOEMUFJYECX-BDAKNGLRSA-N 1 0 237.282 0.744 20 30 BCEDRO C[C@H](CCC#N)[NH2+][C@@H](CO)c1ccnn1C ZINC000593033100 347842618 /nfs/dbraw/zinc/84/26/18/347842618.db2.gz ILHZGXZKDOZNIY-ZJUUUORDSA-N 1 0 222.292 0.735 20 30 BCEDRO COC[C@H]1C[C@@H](O)C[N@@H+]1CCCSCC#N ZINC000593067594 347850251 /nfs/dbraw/zinc/85/02/51/347850251.db2.gz WZOVTVMHHYQNRV-GHMZBOCLSA-N 1 0 244.360 0.715 20 30 BCEDRO C[C@@H](CCO)[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000593108038 347859806 /nfs/dbraw/zinc/85/98/06/347859806.db2.gz KWHFVUYJWZQHSZ-JTQLQIEISA-N 1 0 239.319 0.252 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000343640248 133700647 /nfs/dbraw/zinc/70/06/47/133700647.db2.gz MDPYGPSULKDNGU-ZDUSSCGKSA-N 1 0 238.331 0.791 20 30 BCEDRO N#Cc1cccc2c1CN([C@H]1CCNC1=O)C2 ZINC000593119618 347862985 /nfs/dbraw/zinc/86/29/85/347862985.db2.gz CQEOPYBREBFOBC-LBPRGKRZSA-N 1 0 227.267 0.762 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000593467952 347900203 /nfs/dbraw/zinc/90/02/03/347900203.db2.gz PQLMZZURMACCTA-WDEREUQCSA-N 1 0 223.320 0.946 20 30 BCEDRO CC(C)[C@@H](C(=O)NC[C@@H](C)C#N)[NH+](C)C ZINC000532050392 323169988 /nfs/dbraw/zinc/16/99/88/323169988.db2.gz JHVHAYXGTYHQML-UWVGGRQHSA-N 1 0 211.309 0.848 20 30 BCEDRO N#Cc1cc(N2CC([N@@H+]3CC[C@@H](O)C3)C2)ccn1 ZINC000593503320 347907233 /nfs/dbraw/zinc/90/72/33/347907233.db2.gz HLPHAPQUGWMXHK-CYBMUJFWSA-N 1 0 244.298 0.208 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@@H](C)[C@@H]1CN(C)CCO1 ZINC000593538868 347908802 /nfs/dbraw/zinc/90/88/02/347908802.db2.gz RJQMJYIVWOWSKH-AXFHLTTASA-N 1 0 239.319 0.371 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)s1 ZINC000593669701 347924925 /nfs/dbraw/zinc/92/49/25/347924925.db2.gz BVQFLDKDGGXJBS-OCAPTIKFSA-N 1 0 235.312 0.973 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]CC[C@]2(O)CCOC2)C1 ZINC000593670905 347925002 /nfs/dbraw/zinc/92/50/02/347925002.db2.gz MADLQUNSBVIZRK-WOPDTQHZSA-N 1 0 224.304 0.810 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@@H](C(N)=O)C2)C1 ZINC000593670090 347925120 /nfs/dbraw/zinc/92/51/20/347925120.db2.gz JJRXMFPUTPLBQO-AATLWQCWSA-N 1 0 207.277 0.532 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@@H](C(N)=O)C2)c1 ZINC000593670467 347925143 /nfs/dbraw/zinc/92/51/43/347925143.db2.gz QUYGHCLHEXVMJX-TXEJJXNPSA-N 1 0 229.283 0.912 20 30 BCEDRO N#Cc1ccc(OCC(=O)N[C@@H]2CC[NH2+]C2)cc1 ZINC000593903891 347968080 /nfs/dbraw/zinc/96/80/80/347968080.db2.gz GFLDOWIDYHRNOB-LLVKDONJSA-N 1 0 245.282 0.415 20 30 BCEDRO COCC[NH2+]CCNC(=O)C1(C#N)CCCC1 ZINC000593905696 347968566 /nfs/dbraw/zinc/96/85/66/347968566.db2.gz MQNRJXHKIGITFU-UHFFFAOYSA-N 1 0 239.319 0.423 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)c1cccc(CC#N)c1 ZINC000593905456 347968638 /nfs/dbraw/zinc/96/86/38/347968638.db2.gz UFBAKDJGMCVKOV-SECBINFHSA-N 1 0 217.272 0.830 20 30 BCEDRO C[C@@H](Oc1ccccc1C#N)C(=O)NC[C@H](C)[NH3+] ZINC000593905639 347968823 /nfs/dbraw/zinc/96/88/23/347968823.db2.gz ZTUGHORHTJSSPX-VHSXEESVSA-N 1 0 247.298 0.789 20 30 BCEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@@H]1O ZINC000593970619 347975256 /nfs/dbraw/zinc/97/52/56/347975256.db2.gz YUDFWACNLXQQSP-SKDRFNHKSA-N 1 0 217.272 0.766 20 30 BCEDRO CC[C@@H]([NH2+]CC(=O)NCC#N)[C@H]1CCCCO1 ZINC000594044263 347987513 /nfs/dbraw/zinc/98/75/13/347987513.db2.gz QHWKXEVZTSFISG-GHMZBOCLSA-N 1 0 239.319 0.563 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H]2C[C@H]1CS2 ZINC000491786559 490118662 /nfs/dbraw/zinc/11/86/62/490118662.db2.gz UZZOARDJWGWNAZ-UWVGGRQHSA-N 1 0 224.329 0.316 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)C(C)(C)C#N)C1 ZINC000594105440 348014907 /nfs/dbraw/zinc/01/49/07/348014907.db2.gz DRLGZTKFSPXFGR-AOOOYVTPSA-N 1 0 223.320 0.993 20 30 BCEDRO CO[C@@](C)(CO)C[NH2+]Cc1ccc(C#N)o1 ZINC000594508530 348064706 /nfs/dbraw/zinc/06/47/06/348064706.db2.gz CRVPPSCCJOWIIM-LLVKDONJSA-N 1 0 224.260 0.638 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594525396 348069619 /nfs/dbraw/zinc/06/96/19/348069619.db2.gz QVXPOSVYVNSTNU-NTSWFWBYSA-N 1 0 238.213 0.335 20 30 BCEDRO C[NH+](C)C1CN(c2ccc(C#N)c(N)n2)C1 ZINC000594569857 348073787 /nfs/dbraw/zinc/07/37/87/348073787.db2.gz BYKDENIAJOCJFH-UHFFFAOYSA-N 1 0 217.276 0.286 20 30 BCEDRO C[NH+](C)CCOCCNC(=O)CCCCC#N ZINC000594336416 348035007 /nfs/dbraw/zinc/03/50/07/348035007.db2.gz JDTZCBWGDRQAPE-UHFFFAOYSA-N 1 0 241.335 0.765 20 30 BCEDRO C[NH+](C)[C@H]1CN(C(=O)CC(C)(C)C#N)C[C@@H]1O ZINC000594359021 348042133 /nfs/dbraw/zinc/04/21/33/348042133.db2.gz FMDSKTYEAQFTJF-UWVGGRQHSA-N 1 0 239.319 0.060 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCC1(CO)CC1 ZINC000594434257 348046115 /nfs/dbraw/zinc/04/61/15/348046115.db2.gz LYTTWMVWHDSZFE-SNVBAGLBSA-N 1 0 239.319 0.286 20 30 BCEDRO CO[C@H](C)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436984 348050581 /nfs/dbraw/zinc/05/05/81/348050581.db2.gz LDULHQKVPXHIAT-ZJUUUORDSA-N 1 0 227.308 0.549 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)NCC1CC1 ZINC000594426027 348052101 /nfs/dbraw/zinc/05/21/01/348052101.db2.gz CBACLFCXQRWSMY-JTQLQIEISA-N 1 0 209.293 0.924 20 30 BCEDRO COC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594426237 348052113 /nfs/dbraw/zinc/05/21/13/348052113.db2.gz DMKMAMLOHHLZKK-BDAKNGLRSA-N 1 0 241.291 0.075 20 30 BCEDRO C[C@H](O)CCN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441847 348054946 /nfs/dbraw/zinc/05/49/46/348054946.db2.gz AEMTWENEHJQIEQ-QWRGUYRKSA-N 1 0 241.335 0.627 20 30 BCEDRO C[C@@H](O)CCN(C)C(=O)[C@@H]([NH3+])CCCCC#N ZINC000594441846 348055010 /nfs/dbraw/zinc/05/50/10/348055010.db2.gz AEMTWENEHJQIEQ-MNOVXSKESA-N 1 0 241.335 0.627 20 30 BCEDRO N#Cc1ccc2c(c1)CN(C(=O)C[NH3+])C2 ZINC000594451487 348058174 /nfs/dbraw/zinc/05/81/74/348058174.db2.gz BBZGPNKJCHWSNH-UHFFFAOYSA-N 1 0 201.229 0.359 20 30 BCEDRO CO[C@H](C[NH2+][C@H](C)CC#N)[C@@H]1CCOC1 ZINC000594710461 348104128 /nfs/dbraw/zinc/10/41/28/348104128.db2.gz LGGHOBGSUXWEOR-GMTAPVOTSA-N 1 0 212.293 0.930 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN1CC(C#N)C1 ZINC000594713839 348105041 /nfs/dbraw/zinc/10/50/41/348105041.db2.gz IESJWDVPYSCUBT-NSHDSACASA-N 1 0 211.309 0.143 20 30 BCEDRO CCOCC[C@H](O)C[NH+]1CC(CC#N)C1 ZINC000594716174 348106194 /nfs/dbraw/zinc/10/61/94/348106194.db2.gz LACUMVRFHSGHGA-NSHDSACASA-N 1 0 212.293 0.619 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH+]1CC(CC#N)C1 ZINC000594716865 348106319 /nfs/dbraw/zinc/10/63/19/348106319.db2.gz YJBDEHYDCAKMOJ-GFCCVEGCSA-N 1 0 236.319 0.038 20 30 BCEDRO N#CCCCn1cc(C[NH2+]C2CC2)nn1 ZINC000594648897 348087627 /nfs/dbraw/zinc/08/76/27/348087627.db2.gz FFAHGRYQTWZGBE-UHFFFAOYSA-N 1 0 205.265 0.834 20 30 BCEDRO C[NH2+]Cc1cn(CC2(CC#N)CC2)nn1 ZINC000594651166 348089968 /nfs/dbraw/zinc/08/99/68/348089968.db2.gz GKSDUBPLNFYKGJ-UHFFFAOYSA-N 1 0 205.265 0.691 20 30 BCEDRO CC(C)(C[NH3+])Cn1cc(CCC#N)nn1 ZINC000594652058 348090573 /nfs/dbraw/zinc/09/05/73/348090573.db2.gz KOTZKQZKFUAWDZ-UHFFFAOYSA-N 1 0 207.281 0.719 20 30 BCEDRO N#Cc1ccc(-n2cc(C[C@H]([NH3+])CO)nn2)cc1 ZINC000594652569 348090599 /nfs/dbraw/zinc/09/05/99/348090599.db2.gz TYTQNBFTJNOHDH-JTQLQIEISA-N 1 0 243.270 0.001 20 30 BCEDRO C[C@H]([NH3+])Cn1cc(-c2cncc(C#N)c2)nn1 ZINC000594653754 348091933 /nfs/dbraw/zinc/09/19/33/348091933.db2.gz ZDBQLOWVHKVVEF-QMMMGPOBSA-N 1 0 228.259 0.559 20 30 BCEDRO C[C@@H](C[NH3+])n1cc(-c2cncc(C#N)c2)nn1 ZINC000594653699 348091955 /nfs/dbraw/zinc/09/19/55/348091955.db2.gz XXMHWRITKQIBHR-QMMMGPOBSA-N 1 0 228.259 0.731 20 30 BCEDRO N#Cc1cccc(OCc2cn(CC[NH3+])nn2)c1 ZINC000594639783 348096828 /nfs/dbraw/zinc/09/68/28/348096828.db2.gz BVAWXDGTCBRDFR-UHFFFAOYSA-N 1 0 243.270 0.687 20 30 BCEDRO C[C@@H](Cn1cncn1)[NH2+]CC1(CC#N)CC1 ZINC000595048526 348180067 /nfs/dbraw/zinc/18/00/67/348180067.db2.gz HIKCIYJDQSXWHC-JTQLQIEISA-N 1 0 219.292 0.950 20 30 BCEDRO CC[C@H]1C[C@H]([NH2+]CCn2cnc(C#N)n2)CO1 ZINC000594941064 348143746 /nfs/dbraw/zinc/14/37/46/348143746.db2.gz QKAWEQAMMJRHPL-UWVGGRQHSA-N 1 0 235.291 0.307 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)[C@H]1C[C@@H]1C(=O)OC ZINC000594945069 348144926 /nfs/dbraw/zinc/14/49/26/348144926.db2.gz LYMQRAWJBFKQBX-DBIOUOCHSA-N 1 0 227.304 0.711 20 30 BCEDRO C[N@H+](CCc1ccc(C#N)cc1)CC(N)=O ZINC000595293909 348215304 /nfs/dbraw/zinc/21/53/04/348215304.db2.gz CIYAHOWALRGJDN-UHFFFAOYSA-N 1 0 217.272 0.518 20 30 BCEDRO CN1C[C@H](C[NH2+][C@@H]2CC[C@H](C#N)C2)CC1=O ZINC000595092486 348192620 /nfs/dbraw/zinc/19/26/20/348192620.db2.gz WAEUEPSUDPNGEN-GARJFASQSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@H](C[NH3+])C(=O)NCCc1ccc(C#N)cc1 ZINC000595256147 348203976 /nfs/dbraw/zinc/20/39/76/348203976.db2.gz LUQAXTWFRFBWBT-JTQLQIEISA-N 1 0 231.299 0.812 20 30 BCEDRO N#Cc1ccc(CCNC(=O)C[NH2+]C2CC2)cc1 ZINC000595255982 348203979 /nfs/dbraw/zinc/20/39/79/348203979.db2.gz KMXFVAVUJQIZDV-UHFFFAOYSA-N 1 0 243.310 0.969 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]([NH3+])CCCC#N ZINC000595256012 348204027 /nfs/dbraw/zinc/20/40/27/348204027.db2.gz IYNCRWMQBYRECP-LLVKDONJSA-N 1 0 239.319 0.716 20 30 BCEDRO N#CCC1(CNC(=O)NCC23CC(C2)C[NH2+]3)CC1 ZINC000595262341 348206871 /nfs/dbraw/zinc/20/68/71/348206871.db2.gz CHKLTYGYFFQQAS-UHFFFAOYSA-N 1 0 248.330 0.731 20 30 BCEDRO CC(C)(C#N)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000595264436 348207074 /nfs/dbraw/zinc/20/70/74/348207074.db2.gz OACGBFCWXDRNSA-QMMMGPOBSA-N 1 0 210.281 0.197 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NC[C@@H]([NH3+])C2CC2)C1 ZINC000595264700 348207662 /nfs/dbraw/zinc/20/76/62/348207662.db2.gz FVODARXFIWOCGI-ZYHUDNBSSA-N 1 0 236.319 0.669 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)N[C@H]2CCC[NH2+]C2)C1 ZINC000595264595 348207762 /nfs/dbraw/zinc/20/77/62/348207762.db2.gz CPTIXHMVEXKJMQ-CMPLNLGQSA-N 1 0 236.319 0.684 20 30 BCEDRO CC(C)[C@H]([NH3+])CNC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595269047 348209667 /nfs/dbraw/zinc/20/96/67/348209667.db2.gz ZCKPLDFBNMHSFJ-PWSUYJOCSA-N 1 0 238.335 0.915 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NCC23CC(C2)C[NH2+]3)C1 ZINC000595272668 348209983 /nfs/dbraw/zinc/20/99/83/348209983.db2.gz DKJGRFRGISFUTC-YXMLORGKSA-N 1 0 248.330 0.684 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N1CCC(CC#N)CC1 ZINC000595274851 348210325 /nfs/dbraw/zinc/21/03/25/348210325.db2.gz BUYOKAZLYYAQIA-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N1CCC(C)(C#N)CC1 ZINC000595275412 348211195 /nfs/dbraw/zinc/21/11/95/348211195.db2.gz MSSCHVIDRLGQQL-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N1CCC[C@](C)(C#N)C1 ZINC000595275175 348211342 /nfs/dbraw/zinc/21/13/42/348211342.db2.gz IMCPRPFFKXTTCC-ZYHUDNBSSA-N 1 0 238.335 0.930 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H]1C[C@@H]1C ZINC000491749524 362857402 /nfs/dbraw/zinc/85/74/02/362857402.db2.gz SXVGKNMBIFHABS-NWDGAFQWSA-N 1 0 237.347 0.897 20 30 BCEDRO C[C@@H]1CN(CCCC#N)C[C@H](C)[N@H+]1CCO ZINC000595519223 348260865 /nfs/dbraw/zinc/26/08/65/348260865.db2.gz XWFVHQCGIPLACF-TXEJJXNPSA-N 1 0 225.336 0.677 20 30 BCEDRO C[C@@H]1CN(CCCC#N)[C@@H](C)C[N@@H+]1CCO ZINC000595548928 348268424 /nfs/dbraw/zinc/26/84/24/348268424.db2.gz BFDLQLSFWHYGQE-NWDGAFQWSA-N 1 0 225.336 0.677 20 30 BCEDRO COC[C@@]1(CO)CC[N@H+](CCCC#N)C1 ZINC000595525351 348270845 /nfs/dbraw/zinc/27/08/45/348270845.db2.gz DPDFSRFVPFHFOD-NSHDSACASA-N 1 0 212.293 0.621 20 30 BCEDRO CC[C@H](CC#N)NC[C@H](O)C[N@H+](C)C(C)C ZINC000595529067 348272511 /nfs/dbraw/zinc/27/25/11/348272511.db2.gz HISWSTZUAPBXBA-NEPJUHHUSA-N 1 0 227.352 0.969 20 30 BCEDRO CN(CC(=O)NC1(C#N)CCC1)Cc1c[nH]cn1 ZINC000595593624 348278401 /nfs/dbraw/zinc/27/84/01/348278401.db2.gz XUNYXXNEGOPKEO-UHFFFAOYSA-N 1 0 247.302 0.404 20 30 BCEDRO N#CC[C@@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000595613352 348288069 /nfs/dbraw/zinc/28/80/69/348288069.db2.gz BMSROKUPQMCPJJ-JTQLQIEISA-N 1 0 245.348 0.291 20 30 BCEDRO C=CC[C@@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(N)=O)C1 ZINC000595658101 348298043 /nfs/dbraw/zinc/29/80/43/348298043.db2.gz FQKHNTLSVLMTCL-VHSXEESVSA-N 1 0 239.319 0.858 20 30 BCEDRO CC#CCN1C[C@H](C)[N@H+](CCO)C[C@@H]1C ZINC000419319278 192120829 /nfs/dbraw/zinc/12/08/29/192120829.db2.gz CKWGNTTVUPMXCM-RYUDHWBXSA-N 1 0 210.321 0.397 20 30 BCEDRO COC(=O)[C@@H]1OCC[C@@H]1[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000595665421 348301874 /nfs/dbraw/zinc/30/18/74/348301874.db2.gz ZSHFWTBITKLKLX-CHWFTXMASA-N 1 0 238.287 0.599 20 30 BCEDRO C[C@H](CO)[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000595670779 348309507 /nfs/dbraw/zinc/30/95/07/348309507.db2.gz CTARGEQWBUKUSF-MNOVXSKESA-N 1 0 239.319 0.109 20 30 BCEDRO N#CC1(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@@H]3C2)CC1 ZINC000595728164 348329573 /nfs/dbraw/zinc/32/95/73/348329573.db2.gz KLHIPQPJKYTJIF-MNOVXSKESA-N 1 0 233.315 0.891 20 30 BCEDRO CN1CC[N@H+](CCOCCC#N)CCC1=O ZINC000595774036 348338103 /nfs/dbraw/zinc/33/81/03/348338103.db2.gz RQXWMKLJGUBRER-UHFFFAOYSA-N 1 0 225.292 0.081 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCSCC#N ZINC000595863911 348383869 /nfs/dbraw/zinc/38/38/69/348383869.db2.gz KRWSMUBGOMJRIB-SECBINFHSA-N 1 0 200.307 0.770 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC[S@](=O)c1ccccc1 ZINC000595864354 348384769 /nfs/dbraw/zinc/38/47/69/348384769.db2.gz ZNIREICTXQZMGD-BZNIZROVSA-N 1 0 239.340 0.931 20 30 BCEDRO C=CCCC(=O)NCC[NH2+]CCOC ZINC000212735466 187395310 /nfs/dbraw/zinc/39/53/10/187395310.db2.gz NUSCADLNGGDEOI-UHFFFAOYSA-N 1 0 200.282 0.305 20 30 BCEDRO CC1C[C@H]2CC[C@@H](C1)[N@H+]2CC(=O)NCC#N ZINC000595857307 348357986 /nfs/dbraw/zinc/35/79/86/348357986.db2.gz JSGPWYZMBZKNAN-FGWVZKOKSA-N 1 0 221.304 0.889 20 30 BCEDRO CCN(C[C@@H](O)C[N@H+](C)C1CC1)[C@@H](C)C#N ZINC000595819463 348359284 /nfs/dbraw/zinc/35/92/84/348359284.db2.gz AYWQMNBNNUTUSY-JQWIXIFHSA-N 1 0 225.336 0.675 20 30 BCEDRO C=CCCSCCNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000595961795 348405669 /nfs/dbraw/zinc/40/56/69/348405669.db2.gz TWEXQPDCSGYZCY-URLYPYJESA-N 1 0 240.372 0.877 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000595945643 348411619 /nfs/dbraw/zinc/41/16/19/348411619.db2.gz VAVAIMJRFJECJZ-MXWKQRLJSA-N 1 0 221.304 0.876 20 30 BCEDRO C=C(C)C[N@@H+](CC)[C@H](C)C(=O)NC(N)=O ZINC000263755026 187397707 /nfs/dbraw/zinc/39/77/07/187397707.db2.gz JAWLMYSHJASXCZ-MRVPVSSYSA-N 1 0 213.281 0.468 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@@H]2CCC[NH2+]2)C1 ZINC000595982847 348418020 /nfs/dbraw/zinc/41/80/20/348418020.db2.gz XYRKWIQDKUQRTO-ONGXEEELSA-N 1 0 207.277 0.501 20 30 BCEDRO CC1(OCC(=O)N2CC[C@](C)(C#N)C2)C[NH2+]C1 ZINC000595983210 348418182 /nfs/dbraw/zinc/41/81/82/348418182.db2.gz ZWOJHGIPYCSYAS-LLVKDONJSA-N 1 0 237.303 0.127 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C[NH2+]C2CC2)C1 ZINC000595983104 348418397 /nfs/dbraw/zinc/41/83/97/348418397.db2.gz YGRUJMDBEOFCJV-NSHDSACASA-N 1 0 207.277 0.501 20 30 BCEDRO N#Cc1cccc2c1CN(C[C@H]1C[NH2+]CCO1)C2 ZINC000595896181 348391569 /nfs/dbraw/zinc/39/15/69/348391569.db2.gz IDRHWRGTDVAUCL-CYBMUJFWSA-N 1 0 243.310 0.862 20 30 BCEDRO C[C@]1(C#N)CCN(C[C@@H]2C[NH2+]CCO2)C1 ZINC000595905634 348396167 /nfs/dbraw/zinc/39/61/67/348396167.db2.gz WMHDUFYQOJVDPL-WDEREUQCSA-N 1 0 209.293 0.210 20 30 BCEDRO C[NH2+]C[C@](C)(O)CN1CC[C@@](C)(C#N)C1 ZINC000595904660 348396333 /nfs/dbraw/zinc/39/63/33/348396333.db2.gz KCDYXPLYNVAAMY-QWRGUYRKSA-N 1 0 211.309 0.192 20 30 BCEDRO C=CC[C@@]1(C(=O)NCC(=O)OCC)CCC[NH2+]1 ZINC000595924462 348402466 /nfs/dbraw/zinc/40/24/66/348402466.db2.gz JZLZEXUYROONGN-LBPRGKRZSA-N 1 0 240.303 0.364 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@@H+](C)C[C@@H]1C(C)C ZINC000669012575 490166081 /nfs/dbraw/zinc/16/60/81/490166081.db2.gz GIOAAFWYVLRNLV-MNOVXSKESA-N 1 0 226.320 0.332 20 30 BCEDRO CC(C)[C@@H](CO)NC(=O)[C@H]([NH3+])CCCCC#N ZINC000595958984 348404855 /nfs/dbraw/zinc/40/48/55/348404855.db2.gz KPXKSLYZPLPEII-GHMZBOCLSA-N 1 0 241.335 0.531 20 30 BCEDRO COC(=O)c1ccc(N[C@H](C)[C@@H](C)[NH3+])c(C#N)n1 ZINC000596013610 348430020 /nfs/dbraw/zinc/43/00/20/348430020.db2.gz ILGUTUODLFKKFR-HTQZYQBOSA-N 1 0 248.286 0.887 20 30 BCEDRO N#Cc1ccc(N2CC[C@@H]3CC[NH2+][C@H]3C2)nc1N ZINC000596015619 348430500 /nfs/dbraw/zinc/43/05/00/348430500.db2.gz FPDHYXOAMBFICL-ONGXEEELSA-N 1 0 243.314 0.724 20 30 BCEDRO COC(=O)[C@H]1C[C@H]([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000596067629 348436938 /nfs/dbraw/zinc/43/69/38/348436938.db2.gz OQNBFBGBBCQZDY-GMTAPVOTSA-N 1 0 235.287 0.971 20 30 BCEDRO Cc1ccc(C#N)c(N[C@H](CO)C[NH+](C)C)n1 ZINC000596242300 348484814 /nfs/dbraw/zinc/48/48/14/348484814.db2.gz DAAMNDJJXZYTQN-NSHDSACASA-N 1 0 234.303 0.596 20 30 BCEDRO Cn1ncc(C#N)c1N1CC[NH+](CC2CC2)CC1 ZINC000596089079 348443690 /nfs/dbraw/zinc/44/36/90/348443690.db2.gz XBKQACNWLFRPQD-UHFFFAOYSA-N 1 0 245.330 0.824 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCCN(C=O)CC1 ZINC000294200948 166302807 /nfs/dbraw/zinc/30/28/07/166302807.db2.gz LUBCMMQJECPVHH-LBPRGKRZSA-N 1 0 226.320 0.478 20 30 BCEDRO Cn1ncc(C#N)c1NCC[N@H+]1CC=CCC1 ZINC000596226682 348471276 /nfs/dbraw/zinc/47/12/76/348471276.db2.gz XBAPMKSCGYFVRP-UHFFFAOYSA-N 1 0 231.303 0.966 20 30 BCEDRO Cn1ncc(C#N)c1NCC1([NH+](C)C)CC1 ZINC000596275977 348494683 /nfs/dbraw/zinc/49/46/83/348494683.db2.gz YMGJOLMOKHIWQL-UHFFFAOYSA-N 1 0 219.292 0.798 20 30 BCEDRO Cc1cc(NC/C=C\CO)c(C#N)cn1 ZINC000596423221 348527767 /nfs/dbraw/zinc/52/77/67/348527767.db2.gz KFHLXFANXNGQGQ-IHWYPQMZSA-N 1 0 203.245 0.644 20 30 BCEDRO C=CCCCN(C)C(=O)C(=O)NCC[NH2+]CC ZINC000419874980 192149752 /nfs/dbraw/zinc/14/97/52/192149752.db2.gz OAQOUKDPDIDSCP-UHFFFAOYSA-N 1 0 241.335 0.137 20 30 BCEDRO C[C@@H](CCNC(=O)c1c[nH]c(C#N)c1)[NH+](C)C ZINC000596452342 348551672 /nfs/dbraw/zinc/55/16/72/348551672.db2.gz BMILQLKSHADDEI-VIFPVBQESA-N 1 0 234.303 0.956 20 30 BCEDRO C#CCC[N@H+]1CCSC[C@@H]1CC(=O)OC ZINC000270459676 187399143 /nfs/dbraw/zinc/39/91/43/187399143.db2.gz ADTONRYMWOZXIG-JTQLQIEISA-N 1 0 227.329 0.990 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1C(=O)OC ZINC000268664133 166303707 /nfs/dbraw/zinc/30/37/07/166303707.db2.gz RVDYBVFJBBLASR-WDEREUQCSA-N 1 0 227.304 0.951 20 30 BCEDRO CS(=O)(=O)CCC[NH2+][C@@H]1CCC[C@H]1C#N ZINC000054825923 348665583 /nfs/dbraw/zinc/66/55/83/348665583.db2.gz MVNPBILSMASSJT-VHSXEESVSA-N 1 0 230.333 0.703 20 30 BCEDRO COCC[N@H+](C)CCCNC(=O)[C@H](C)CC#N ZINC000596795879 348622954 /nfs/dbraw/zinc/62/29/54/348622954.db2.gz YRCDWXBAALLECX-LLVKDONJSA-N 1 0 241.335 0.621 20 30 BCEDRO C=C[C@@H]1CCCCN1C(=O)C(=O)N[C@H](C)C[NH3+] ZINC000420035926 192158438 /nfs/dbraw/zinc/15/84/38/192158438.db2.gz ZJAJXLKOJKCCPJ-NXEZZACHSA-N 1 0 239.319 0.017 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)C1([NH+](C)C)CC1 ZINC000596894750 348630535 /nfs/dbraw/zinc/63/05/35/348630535.db2.gz PNUGNFAYQIGTPN-SECBINFHSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1CC[NH2+]C(C)(C)C1 ZINC000597338059 348719697 /nfs/dbraw/zinc/71/96/97/348719697.db2.gz QFXKUHYKVXIDEE-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCSCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000597433760 348735298 /nfs/dbraw/zinc/73/52/98/348735298.db2.gz LOQUYONQPMEWNV-LLVKDONJSA-N 1 0 243.376 0.957 20 30 BCEDRO CC(C)(C#N)CNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000597431574 348735328 /nfs/dbraw/zinc/73/53/28/348735328.db2.gz DLHRTBGPGMVYMN-LLVKDONJSA-N 1 0 224.308 0.587 20 30 BCEDRO C[C@@]1(NC(=O)NCCCCC#N)CC[NH2+]C1 ZINC000597435503 348735742 /nfs/dbraw/zinc/73/57/42/348735742.db2.gz XTFYJPQJXALUTG-LLVKDONJSA-N 1 0 224.308 0.731 20 30 BCEDRO C[C@]1(NC(=O)NCC2(C#N)CC2)CC[NH2+]C1 ZINC000597434776 348736034 /nfs/dbraw/zinc/73/60/34/348736034.db2.gz TZADJLHSDXMVMV-JTQLQIEISA-N 1 0 222.292 0.341 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1ccc(CO)o1 ZINC000184274761 348767716 /nfs/dbraw/zinc/76/77/16/348767716.db2.gz HYSJEKWISQSCHH-VIFPVBQESA-N 1 0 211.261 0.799 20 30 BCEDRO C[NH+](C)C1(C(=O)NCC2(CC#N)CC2)CC1 ZINC000597610927 348769982 /nfs/dbraw/zinc/76/99/82/348769982.db2.gz MTNGQPACGYKSFC-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C[NH+](C)C[C@@H](CO)NC(=O)CCCCCC#N ZINC000597652966 348775570 /nfs/dbraw/zinc/77/55/70/348775570.db2.gz GQMXRHXUASRNEP-NSHDSACASA-N 1 0 241.335 0.499 20 30 BCEDRO C[NH+](C)C[C@@H](CO)NC(=O)CCCCC#N ZINC000597655545 348776412 /nfs/dbraw/zinc/77/64/12/348776412.db2.gz YJGHYJIVUZVLFX-JTQLQIEISA-N 1 0 227.308 0.109 20 30 BCEDRO C[N@@H+]1CCC[C@H]1[C@H]1COCCN1C(=O)CC#N ZINC000597693999 348777470 /nfs/dbraw/zinc/77/74/70/348777470.db2.gz HXQITAIHYOGUBK-WDEREUQCSA-N 1 0 237.303 0.222 20 30 BCEDRO C[C@H](CNC(=O)[C@H](C)CC#N)C[NH+](C)C ZINC000597683763 348779415 /nfs/dbraw/zinc/77/94/15/348779415.db2.gz HHMHIASZUOOHLV-NXEZZACHSA-N 1 0 211.309 0.850 20 30 BCEDRO C[N@@H+]1CC[C@@]2(C1)CCCN(C(=O)CC#N)C2 ZINC000597710146 348788116 /nfs/dbraw/zinc/78/81/16/348788116.db2.gz IFBVETONIJOCJE-GFCCVEGCSA-N 1 0 221.304 0.844 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1CC[NH+]2CCC1CC2 ZINC000597549939 348755627 /nfs/dbraw/zinc/75/56/27/348755627.db2.gz PRCASLKFXXENEZ-JTQLQIEISA-N 1 0 221.304 0.843 20 30 BCEDRO CCC(C)(C)[NH2+][C@H](C)C(=O)N[C@H](C#N)CO ZINC000597742771 348808342 /nfs/dbraw/zinc/80/83/42/348808342.db2.gz PBAJIHXKVMBNJX-RKDXNWHRSA-N 1 0 227.308 0.154 20 30 BCEDRO C[C@H](CC#N)C(=O)NCC1([NH+](C)C)CC1 ZINC000597783568 348816583 /nfs/dbraw/zinc/81/65/83/348816583.db2.gz MJRYLQXOYFLSFJ-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO CCN(C(=O)[C@@H](C)C#N)[C@@H]1CC[N@H+](C)C1 ZINC000597943975 348846719 /nfs/dbraw/zinc/84/67/19/348846719.db2.gz BGOHZDRJFUMOLA-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@@H](CN(C)CCC[NH+](C)C)NC(=O)CC#N ZINC000597943351 348846750 /nfs/dbraw/zinc/84/67/50/348846750.db2.gz YYHHZRFTBAZEBE-NSHDSACASA-N 1 0 240.351 0.288 20 30 BCEDRO CC(C)(C)[N@@H+]1CC[C@H]1CNC(=O)CC#N ZINC000597859059 348829053 /nfs/dbraw/zinc/82/90/53/348829053.db2.gz RBHUWZZEXPYGPY-VIFPVBQESA-N 1 0 209.293 0.889 20 30 BCEDRO C[C@@H](C#N)N(C(=O)[C@H]1CC[N@H+](C)C1)C1CC1 ZINC000598127586 348893844 /nfs/dbraw/zinc/89/38/44/348893844.db2.gz CHPQHRWNXRTBHO-UWVGGRQHSA-N 1 0 221.304 0.841 20 30 BCEDRO C[C@H](C#N)N(C(=O)[C@H]1CCC[N@@H+]1C)C1CC1 ZINC000598128690 348894148 /nfs/dbraw/zinc/89/41/48/348894148.db2.gz OGWNFDOBQVZSED-MWLCHTKSSA-N 1 0 221.304 0.984 20 30 BCEDRO C=C(C)C[NH+]1CCC(NC(=O)[C@@H](C)O)CC1 ZINC000276331660 187403020 /nfs/dbraw/zinc/40/30/20/187403020.db2.gz IQHVYVFFPVAOPX-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)c1ccnc(C#N)c1 ZINC000598162695 348897260 /nfs/dbraw/zinc/89/72/60/348897260.db2.gz ZYHCQZVRXDLRPV-UHFFFAOYSA-N 1 0 244.298 0.587 20 30 BCEDRO C=C(C)C[N@@H+]1CCCC[C@H]1CNS(C)(=O)=O ZINC000051734601 348981526 /nfs/dbraw/zinc/98/15/26/348981526.db2.gz FZNHYTARVOBFDN-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H](O)CC(C)(C)C#N)C[C@H]1O ZINC000598599493 348992760 /nfs/dbraw/zinc/99/27/60/348992760.db2.gz JJYFEWCUXZLHKX-GMTAPVOTSA-N 1 0 226.320 0.600 20 30 BCEDRO CN(C)C(=O)C[N@H+](C)C[C@H](O)CC(C)(C)C#N ZINC000598586263 348995923 /nfs/dbraw/zinc/99/59/23/348995923.db2.gz GHRZKVGXRLAHAH-SNVBAGLBSA-N 1 0 241.335 0.307 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@H]1CO ZINC000598589519 348996988 /nfs/dbraw/zinc/99/69/88/348996988.db2.gz JHOYEIUHDFUJOP-WDEREUQCSA-N 1 0 226.320 0.744 20 30 BCEDRO CN1CCN(C[C@H](O)CC(C)(C)C#N)CC1=O ZINC000598592103 348997426 /nfs/dbraw/zinc/99/74/26/348997426.db2.gz FVZQQSXLSDFLSR-SNVBAGLBSA-N 1 0 239.319 0.061 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CCC[C@@H]1C(N)=O ZINC000598621884 349002962 /nfs/dbraw/zinc/00/29/62/349002962.db2.gz YGSVRESMELNBIC-NXEZZACHSA-N 1 0 239.319 0.237 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CC[C@](C)(C#N)C1 ZINC000598414078 348968384 /nfs/dbraw/zinc/96/83/84/348968384.db2.gz YDBONVZNABJEHU-CMPLNLGQSA-N 1 0 221.304 0.843 20 30 BCEDRO C[NH2+]C1(CNc2ncncc2C#N)CCC1 ZINC000598632998 349004977 /nfs/dbraw/zinc/00/49/77/349004977.db2.gz HWSUJCLHRQGAOB-UHFFFAOYSA-N 1 0 217.276 0.324 20 30 BCEDRO C[NH2+]C1(CNc2ccncc2C#N)CCC1 ZINC000598632545 349005283 /nfs/dbraw/zinc/00/52/83/349005283.db2.gz GGRPRGDGTWIVRX-UHFFFAOYSA-N 1 0 216.288 0.929 20 30 BCEDRO C[N@H+](C[C@H](O)CC(C)(C)C#N)C1CC(O)C1 ZINC000598605682 349006820 /nfs/dbraw/zinc/00/68/20/349006820.db2.gz UDHCEPYWDDJJSD-VQXHTEKXSA-N 1 0 226.320 0.742 20 30 BCEDRO C[C@@H]1CC[N@H+](CCOCCC#N)C[C@H]1CO ZINC000598645498 349009264 /nfs/dbraw/zinc/00/92/64/349009264.db2.gz FMSWOVHZDRPGPU-NEPJUHHUSA-N 1 0 226.320 0.867 20 30 BCEDRO COC(=O)CCC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598714212 349025097 /nfs/dbraw/zinc/02/50/97/349025097.db2.gz GPKCECJQWCOBFP-SNVBAGLBSA-N 1 0 242.319 0.830 20 30 BCEDRO C[C@H]([NH2+]C[C@H](O)CC(C)(C)C#N)C(=O)N(C)C ZINC000598718758 349027283 /nfs/dbraw/zinc/02/72/83/349027283.db2.gz GSZZIVSCYXSYBQ-VHSXEESVSA-N 1 0 241.335 0.353 20 30 BCEDRO CN1CCC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598722288 349028209 /nfs/dbraw/zinc/02/82/09/349028209.db2.gz ZYBPIHSQOXLLFT-NEPJUHHUSA-N 1 0 239.363 0.971 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]CCc1cn[nH]c1 ZINC000598725172 349029246 /nfs/dbraw/zinc/02/92/46/349029246.db2.gz CNFAJDVEBRCUIR-NSHDSACASA-N 1 0 236.319 0.843 20 30 BCEDRO CC1CC(C[NH2+]C[C@H](O)CN(C)CCC#N)C1 ZINC000598728575 349030546 /nfs/dbraw/zinc/03/05/46/349030546.db2.gz CUTWVCZGHNKPKT-BPCQOVAHSA-N 1 0 239.363 0.828 20 30 BCEDRO COCC[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598729619 349032106 /nfs/dbraw/zinc/03/21/06/349032106.db2.gz MDMUQJBQHZABIL-WDEREUQCSA-N 1 0 244.335 0.274 20 30 BCEDRO CC[C@@H](O)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730204 349032234 /nfs/dbraw/zinc/03/22/34/349032234.db2.gz RXYUKPAHVMAMGZ-NXEZZACHSA-N 1 0 214.309 0.648 20 30 BCEDRO C[C@@H](CCO)C[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598730404 349032584 /nfs/dbraw/zinc/03/25/84/349032584.db2.gz UXXLTIGIODRJLD-WDEREUQCSA-N 1 0 228.336 0.895 20 30 BCEDRO C[C@H](CCO)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730436 349032593 /nfs/dbraw/zinc/03/25/93/349032593.db2.gz VIQJKIYLBBIZPD-ZJUUUORDSA-N 1 0 214.309 0.648 20 30 BCEDRO N#Cc1ccnc(NCC[N@H+]2CC[C@@H](O)C2)c1 ZINC000599176755 349107027 /nfs/dbraw/zinc/10/70/27/349107027.db2.gz WRSRCCSYUSHPFF-LLVKDONJSA-N 1 0 232.287 0.432 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCN2CC[C@@H](O)C2)c1 ZINC000599008086 349075064 /nfs/dbraw/zinc/07/50/64/349075064.db2.gz GYJRQCDSWOMQLA-CQSZACIVSA-N 1 0 245.326 0.714 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000599075881 349089153 /nfs/dbraw/zinc/08/91/53/349089153.db2.gz AWUYRFVDMAJESL-SRVKXCTJSA-N 1 0 223.320 0.599 20 30 BCEDRO C[N@@H+]1CCCC[C@H](CNc2ncncc2C#N)C1 ZINC000599140588 349098014 /nfs/dbraw/zinc/09/80/14/349098014.db2.gz WNQODOXYIXJINB-LLVKDONJSA-N 1 0 245.330 0.914 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000449591698 201978837 /nfs/dbraw/zinc/97/88/37/201978837.db2.gz QQQVWMVXFBRWTO-KXUCPTDWSA-N 1 0 214.309 0.820 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CCn2cccn2)CC1 ZINC000599289942 349147878 /nfs/dbraw/zinc/14/78/78/349147878.db2.gz NTBUMBPEQOXHTH-LLVKDONJSA-N 1 0 234.303 0.527 20 30 BCEDRO N#CC1(C[C@H](O)C[NH+]2CCC2)CCOCC1 ZINC000599292011 349149343 /nfs/dbraw/zinc/14/93/43/349149343.db2.gz CUDXIBSKQRDSPJ-NSHDSACASA-N 1 0 224.304 0.763 20 30 BCEDRO Cc1ccnc(NCC[N@@H+]2CC[C@H](O)C2)c1C#N ZINC000599198930 349116517 /nfs/dbraw/zinc/11/65/17/349116517.db2.gz BKVIPMIMWWOWOK-NSHDSACASA-N 1 0 246.314 0.740 20 30 BCEDRO CC[C@@H]1CN(c2ccc(C#N)nn2)C[C@H](C)[NH2+]1 ZINC000599180630 349122400 /nfs/dbraw/zinc/12/24/00/349122400.db2.gz NMIBICSQSITMKC-VHSXEESVSA-N 1 0 231.303 0.925 20 30 BCEDRO C=CC[C@H]1CC[N@H+](CC(=O)NCC#N)C1 ZINC000599526808 349207463 /nfs/dbraw/zinc/20/74/63/349207463.db2.gz UBOMGWZMJHMNOO-JTQLQIEISA-N 1 0 207.277 0.524 20 30 BCEDRO CNS(=O)(=O)C[C@H]1CCCN(CCC#N)C1 ZINC000599694782 349247735 /nfs/dbraw/zinc/24/77/35/349247735.db2.gz VJXMJPFYPLPWGC-JTQLQIEISA-N 1 0 245.348 0.161 20 30 BCEDRO CCN(CC[NH3+])C(=O)NCCCCC#N ZINC000599911797 349269723 /nfs/dbraw/zinc/26/97/23/349269723.db2.gz HDUYWOFRJNDCGW-UHFFFAOYSA-N 1 0 212.297 0.670 20 30 BCEDRO N#CCC1(CNC(=O)N[C@@H]2CC[NH2+]C2)CC1 ZINC000599915901 349270459 /nfs/dbraw/zinc/27/04/59/349270459.db2.gz DOEKCFHLHDPOPQ-SECBINFHSA-N 1 0 222.292 0.341 20 30 BCEDRO C[C@@H]1CC[C@H](NC(=O)NCC2(C#N)CC2)C[NH2+]1 ZINC000599916103 349270658 /nfs/dbraw/zinc/27/06/58/349270658.db2.gz IYEHCQVKWLIOLS-ZJUUUORDSA-N 1 0 236.319 0.730 20 30 BCEDRO C[C@H]1CC[C@H](NC(=O)NCCCC#N)C[NH2+]1 ZINC000599917844 349270783 /nfs/dbraw/zinc/27/07/83/349270783.db2.gz KMCVZIBUJXUCSD-UWVGGRQHSA-N 1 0 224.308 0.730 20 30 BCEDRO CC(C)(CC#N)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000599925074 349271328 /nfs/dbraw/zinc/27/13/28/349271328.db2.gz IQKSPRCWLJKLET-SECBINFHSA-N 1 0 224.308 0.587 20 30 BCEDRO CCN(CC[NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000599925320 349271575 /nfs/dbraw/zinc/27/15/75/349271575.db2.gz WVNXDVWKTZSTLF-VHSXEESVSA-N 1 0 224.308 0.669 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000599942352 349273170 /nfs/dbraw/zinc/27/31/70/349273170.db2.gz ZRTBNORZARHSBH-OUAUKWLOSA-N 1 0 238.335 0.928 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H](CO)[C@@H](c2cnn(C)c2)C1 ZINC000354835550 349330689 /nfs/dbraw/zinc/33/06/89/349330689.db2.gz VYPIHSHRKNEWFV-QWHCGFSZSA-N 1 0 233.315 0.451 20 30 BCEDRO C[C@H](CNc1ccnc(C#N)n1)[NH+](C)C ZINC000309019570 349304997 /nfs/dbraw/zinc/30/49/97/349304997.db2.gz SVZWWFKLCFDSJJ-MRVPVSSYSA-N 1 0 205.265 0.710 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCCC[C@@H]2O)CC1 ZINC000601969293 349406155 /nfs/dbraw/zinc/40/61/55/349406155.db2.gz BMLGBTUWKOSRJF-UTUOFQBUSA-N 1 0 238.331 0.934 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+][C@H]1CCC[C@@H]1O ZINC000601969807 349406728 /nfs/dbraw/zinc/40/67/28/349406728.db2.gz UEAJRDCYCAMHES-VWYCJHECSA-N 1 0 226.320 0.790 20 30 BCEDRO CC1(CNC(=[NH2+])NC[C@@H]2CCCO2)CC1 ZINC000262432877 535097740 /nfs/dbraw/zinc/09/77/40/535097740.db2.gz FQWSFOYZZLOLFM-VIFPVBQESA-N 1 0 211.309 0.870 20 30 BCEDRO CCN(CC#N)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000602080219 349430228 /nfs/dbraw/zinc/43/02/28/349430228.db2.gz LVBCTYBHPBOVNE-JTQLQIEISA-N 1 0 209.293 0.700 20 30 BCEDRO CN(CCC#N)C(=O)C1(C[NH+](C)C)CC1 ZINC000602081456 349431064 /nfs/dbraw/zinc/43/10/64/349431064.db2.gz XKXRNVNMRLNMMP-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO N#CCN1CCC([NH2+]Cc2ccon2)CC1 ZINC000602003928 349411737 /nfs/dbraw/zinc/41/17/37/349411737.db2.gz UPMYVDQHZNYEEG-UHFFFAOYSA-N 1 0 220.276 0.752 20 30 BCEDRO N#Cc1ncn(CC[C@@H]2CC[NH2+]C2)c1C#N ZINC000396666957 349413241 /nfs/dbraw/zinc/41/32/41/349413241.db2.gz WJTGNYWVGYCEDH-VIFPVBQESA-N 1 0 215.260 0.626 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000636987974 350129625 /nfs/dbraw/zinc/12/96/25/350129625.db2.gz FGLQKSIENDLPFH-QWRGUYRKSA-N 1 0 241.335 0.365 20 30 BCEDRO N#Cc1cccc(C(=O)N2CCO[C@@H](C[NH3+])C2)c1 ZINC000159432086 350142025 /nfs/dbraw/zinc/14/20/25/350142025.db2.gz JMTOHAIGAPRJOD-LBPRGKRZSA-N 1 0 245.282 0.358 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1C ZINC000088696671 187440101 /nfs/dbraw/zinc/44/01/01/187440101.db2.gz LGKLEIOGQSVXLF-WDEREUQCSA-N 1 0 208.305 0.904 20 30 BCEDRO C=CCCC[N@H+]1C[C@H](O)C[C@H]1C(=O)OC ZINC000117881347 350229353 /nfs/dbraw/zinc/22/93/53/350229353.db2.gz MWBVIJMVSRPZNI-ZJUUUORDSA-N 1 0 213.277 0.561 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](O)CN(C)[C@H](C)CC#N ZINC000309266821 350247258 /nfs/dbraw/zinc/24/72/58/350247258.db2.gz QHFKRVJCKBBHTP-NEPJUHHUSA-N 1 0 227.352 0.921 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1ncccc1O ZINC000262453393 535123537 /nfs/dbraw/zinc/12/35/37/535123537.db2.gz KHVUSKFUAXWWMU-UHFFFAOYSA-N 1 0 208.265 0.600 20 30 BCEDRO C=CCNC(=O)N1CCC(CC[NH3+])CC1 ZINC000327618963 350358689 /nfs/dbraw/zinc/35/86/89/350358689.db2.gz MIUDYIZLWQWKEP-UHFFFAOYSA-N 1 0 211.309 0.943 20 30 BCEDRO C[C@@H]1C[C@@H]1C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000040221869 350358784 /nfs/dbraw/zinc/35/87/84/350358784.db2.gz DZOCYAYMVYAYRZ-ZJUUUORDSA-N 1 0 221.304 0.747 20 30 BCEDRO Cc1ncsc1C[NH2+]CCn1cnc(C#N)n1 ZINC000353049237 180321008 /nfs/dbraw/zinc/32/10/08/180321008.db2.gz RRLILJQPWUDHNG-UHFFFAOYSA-N 1 0 248.315 0.705 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)CCCSCC#N ZINC000336669441 350433265 /nfs/dbraw/zinc/43/32/65/350433265.db2.gz FNWPETFWFPEWAG-SNVBAGLBSA-N 1 0 232.349 0.308 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@]1(C)CC[NH2+]C1 ZINC000158238276 191101500 /nfs/dbraw/zinc/10/15/00/191101500.db2.gz QFOYCDXDVNZFNN-VIFPVBQESA-N 1 0 202.685 0.855 20 30 BCEDRO C=CC1CC[NH+](CCN2CCNC2=O)CC1 ZINC000336645895 350416060 /nfs/dbraw/zinc/41/60/60/350416060.db2.gz DHOJOXAXMGQYHC-UHFFFAOYSA-N 1 0 223.320 0.910 20 30 BCEDRO COCC1(O)CC[NH+](CCCC#N)CC1 ZINC000336653360 350420236 /nfs/dbraw/zinc/42/02/36/350420236.db2.gz YFHWQWBMRRGUFO-UHFFFAOYSA-N 1 0 212.293 0.763 20 30 BCEDRO C=CCN(CCOC)[C@@H]1CCN(C2CC2)C1=O ZINC000336691284 350446970 /nfs/dbraw/zinc/44/69/70/350446970.db2.gz FONGCZNNYYRPDE-GFCCVEGCSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CC[N@H+](CCOC)CCn1cncn1 ZINC000336690729 350447204 /nfs/dbraw/zinc/44/72/04/350447204.db2.gz JSSHURYLWPWCDQ-UHFFFAOYSA-N 1 0 210.281 0.413 20 30 BCEDRO CC#CCC[NH+]1CCN(Cc2ncc[nH]2)CC1 ZINC000336718467 350470369 /nfs/dbraw/zinc/47/03/69/350470369.db2.gz HHOQBRVSPZEIQP-UHFFFAOYSA-N 1 0 232.331 0.941 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NCC[NH2+]C1CC1 ZINC000637348334 350470765 /nfs/dbraw/zinc/47/07/65/350470765.db2.gz RZMUZCCJHVWMAQ-NSHDSACASA-N 1 0 241.335 0.365 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NCC[NH2+]C1CC1 ZINC000637348333 350470772 /nfs/dbraw/zinc/47/07/72/350470772.db2.gz RZMUZCCJHVWMAQ-LLVKDONJSA-N 1 0 241.335 0.365 20 30 BCEDRO C[C@H](C#N)C(=O)NCC1(C)CC[NH+](C)CC1 ZINC000227515827 350499104 /nfs/dbraw/zinc/49/91/04/350499104.db2.gz KZNCYEWDRPOKSN-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C=C(C)C[N@H+]1CCCN(CC(=O)OC)CC1 ZINC000363567205 191111410 /nfs/dbraw/zinc/11/14/10/191111410.db2.gz DVVFGXPTFZYMCU-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO C=CC[C@H](CO)NC(=O)C[N@@H+](C)CCC ZINC000337079086 350549820 /nfs/dbraw/zinc/54/98/20/350549820.db2.gz UADIHZZNYRGYBH-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO CC#CC[N@@H+](C)C[C@@H](O)CO[C@H](C)COC ZINC000339755115 350818936 /nfs/dbraw/zinc/81/89/36/350818936.db2.gz WCRCMPPKSYUKJK-VXGBXAGGSA-N 1 0 229.320 0.354 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2cnn(C)c2)CC1 ZINC000051905249 350869831 /nfs/dbraw/zinc/86/98/31/350869831.db2.gz ZULHDYLHJBAWLR-UHFFFAOYSA-N 1 0 246.314 0.248 20 30 BCEDRO CC(=O)N1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000336681344 350904879 /nfs/dbraw/zinc/90/48/79/350904879.db2.gz RMXDYAHKDFILPC-TUAOUCFPSA-N 1 0 221.304 0.889 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC1([NH+](C)C)CC1 ZINC000397891344 350986880 /nfs/dbraw/zinc/98/68/80/350986880.db2.gz MMAKLAWPULPGGH-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO N#CCSCCC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000336685961 350950362 /nfs/dbraw/zinc/95/03/62/350950362.db2.gz IPMNCHXAJVVAGP-WDEREUQCSA-N 1 0 244.360 0.763 20 30 BCEDRO C[NH+](C)CC(=O)N1CCC[C@H](CC#N)C1 ZINC000397647670 350957051 /nfs/dbraw/zinc/95/70/51/350957051.db2.gz SQCHKGVHTAZLHC-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO CCC[N@@H+]1CC[C@@H](NC(=O)[C@H](C)C#N)C1 ZINC000389905009 351054482 /nfs/dbraw/zinc/05/44/82/351054482.db2.gz SCANIRIXBUPHGT-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCNC(=O)C[N@@H+](CCO)[C@H](C)CC ZINC000336707436 351078162 /nfs/dbraw/zinc/07/81/62/351078162.db2.gz RUOICKUWMPKNHN-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO CCS(=O)(=O)NCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336724811 351388679 /nfs/dbraw/zinc/38/86/79/351388679.db2.gz BJLUKBALLIQCTC-VHSXEESVSA-N 1 0 245.348 0.208 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccccc1 ZINC000034937063 351351129 /nfs/dbraw/zinc/35/11/29/351351129.db2.gz HWIVKNYMJUQBSG-UHFFFAOYSA-N 1 0 202.257 0.526 20 30 BCEDRO C[N@@H+]1CC[C@@]2(CCN(c3ncncc3C#N)C2)C1 ZINC000386697486 363030430 /nfs/dbraw/zinc/03/04/30/363030430.db2.gz PEIZVCLMXIMRDE-CYBMUJFWSA-N 1 0 243.314 0.880 20 30 BCEDRO N#CCNC(=O)CSCC1CC[NH2+]CC1 ZINC000577629621 366026432 /nfs/dbraw/zinc/02/64/32/366026432.db2.gz FOYXQYANQFPYDP-UHFFFAOYSA-N 1 0 227.333 0.359 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000577633774 366026471 /nfs/dbraw/zinc/02/64/71/366026471.db2.gz XWLMSSOAPOTLGD-VHSXEESVSA-N 1 0 235.349 0.336 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]CCCOCCO)C1 ZINC000336728338 351558604 /nfs/dbraw/zinc/55/86/04/351558604.db2.gz IBBVXURHRUSPQY-WDEREUQCSA-N 1 0 212.293 0.667 20 30 BCEDRO C[C@H]([NH2+][C@@H](C)c1cn[nH]c1)C(=O)N(C)CCC#N ZINC000274142251 351561385 /nfs/dbraw/zinc/56/13/85/351561385.db2.gz XKVBBMBSICFJNS-UWVGGRQHSA-N 1 0 249.318 0.821 20 30 BCEDRO C[NH2+]CCCNC(=O)COc1ccc(C#N)cc1 ZINC000577645320 366030062 /nfs/dbraw/zinc/03/00/62/366030062.db2.gz UYGQMWBCVRHTQA-UHFFFAOYSA-N 1 0 247.298 0.663 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000577750484 366053498 /nfs/dbraw/zinc/05/34/98/366053498.db2.gz HXLCNBKROOXPMX-BDAKNGLRSA-N 1 0 220.338 0.608 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000577756924 366054613 /nfs/dbraw/zinc/05/46/13/366054613.db2.gz CXDLQPXONUQGQG-UWVGGRQHSA-N 1 0 224.308 0.682 20 30 BCEDRO CC[NH+](CC)CCCNS(=O)(=O)[C@H](C)C#N ZINC000088475287 351802705 /nfs/dbraw/zinc/80/27/05/351802705.db2.gz AJPHQKZUAWMSQL-SNVBAGLBSA-N 1 0 247.364 0.550 20 30 BCEDRO CO[C@@H](C[NH3+])CC(=O)N(C)[C@@H](C)CC#N ZINC000232120361 351832642 /nfs/dbraw/zinc/83/26/42/351832642.db2.gz XMNGWAHZCWSIQS-DTWKUNHWSA-N 1 0 213.281 0.111 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)c1cnn(C)c1 ZINC000273417599 323636682 /nfs/dbraw/zinc/63/66/82/323636682.db2.gz UVCPREIRHSFGQJ-UWVGGRQHSA-N 1 0 234.303 0.209 20 30 BCEDRO C#CCN(CC#N)CC[C@@H]1CCC[N@H+]1C ZINC000281224655 351881790 /nfs/dbraw/zinc/88/17/90/351881790.db2.gz BQXRVJDUGBGLMR-LBPRGKRZSA-N 1 0 205.305 0.929 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@H](C)CC[NH3+] ZINC000336733776 351882016 /nfs/dbraw/zinc/88/20/16/351882016.db2.gz GVDJVHSYJBFRTK-ZJUUUORDSA-N 1 0 214.309 0.821 20 30 BCEDRO N#CCCC[NH+]1CCC(c2nc(=O)[nH][nH]2)CC1 ZINC000281100057 351875495 /nfs/dbraw/zinc/87/54/95/351875495.db2.gz VTVPDAZXGWTMAF-UHFFFAOYSA-N 1 0 235.291 0.581 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000282106767 351923378 /nfs/dbraw/zinc/92/33/78/351923378.db2.gz WOQDLFMRISECNU-LLVKDONJSA-N 1 0 221.304 0.558 20 30 BCEDRO C=CCCCN(C)C(=O)[C@@]1(C)C[NH2+]CCO1 ZINC000638010779 351887076 /nfs/dbraw/zinc/88/70/76/351887076.db2.gz NKEFQQBWCXNARZ-GFCCVEGCSA-N 1 0 226.320 0.790 20 30 BCEDRO CCNC(=[NH2+])NCc1ncnn1C(C)(C)C ZINC000283905706 351985622 /nfs/dbraw/zinc/98/56/22/351985622.db2.gz UUPISNQINYFBQE-UHFFFAOYSA-N 1 0 224.312 0.457 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)CC(=O)N1CCC1 ZINC000340208460 352046994 /nfs/dbraw/zinc/04/69/94/352046994.db2.gz MKWOFPQHDLTGIB-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C=C(C)C[N@H+](CCNS(C)(=O)=O)C1CC1 ZINC000340216487 352066467 /nfs/dbraw/zinc/06/64/67/352066467.db2.gz IKHGEUJDGWEFQZ-UHFFFAOYSA-N 1 0 232.349 0.576 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H](O)Cc2ccccc2)N1 ZINC000285080406 352020834 /nfs/dbraw/zinc/02/08/34/352020834.db2.gz NEFAOGYQSVCOCY-CMPLNLGQSA-N 1 0 233.315 0.527 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000627001060 363102021 /nfs/dbraw/zinc/10/20/21/363102021.db2.gz ZRVMPGZHCZHBKC-WDEREUQCSA-N 1 0 241.335 0.629 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H]1CCNC1=O ZINC000340222156 352078231 /nfs/dbraw/zinc/07/82/31/352078231.db2.gz NJJQIQYZHYDPQY-ZJUUUORDSA-N 1 0 212.293 0.134 20 30 BCEDRO C#CC(C)(C)N(C)CC(=O)NCCC(=O)OC ZINC000286233904 352082338 /nfs/dbraw/zinc/08/23/38/352082338.db2.gz RLXZFEOWFVEQBV-UHFFFAOYSA-N 1 0 240.303 0.009 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCC[C@H]1O ZINC000286486136 352091560 /nfs/dbraw/zinc/09/15/60/352091560.db2.gz LOHGRQISMHDMRO-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO CC#CCCNC(=O)NC1(C[NH3+])CCOCC1 ZINC000627016783 363115403 /nfs/dbraw/zinc/11/54/03/363115403.db2.gz POHZEFAGWAOROO-UHFFFAOYSA-N 1 0 239.319 0.207 20 30 BCEDRO C=CCCOCCNC(=O)N(CC)CC[NH3+] ZINC000627005542 363107739 /nfs/dbraw/zinc/10/77/39/363107739.db2.gz CMHQTQRENZOTGD-UHFFFAOYSA-N 1 0 229.324 0.569 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627012228 363114027 /nfs/dbraw/zinc/11/40/27/363114027.db2.gz VNTOQBDIRNHHCY-GHMZBOCLSA-N 1 0 241.335 0.629 20 30 BCEDRO C=CCCCNC(=O)N(C)CCOCC[NH2+]C ZINC000627023538 363118463 /nfs/dbraw/zinc/11/84/63/363118463.db2.gz XDBMYEHVVBEBGL-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO CNC(NCCc1cccnc1OC)=[NH+]C ZINC000290452184 352225298 /nfs/dbraw/zinc/22/52/98/352225298.db2.gz CTBSTLQZGZUDKQ-UHFFFAOYSA-N 1 0 222.292 0.428 20 30 BCEDRO NC(=[NH2+])NC[C@@]1(CO)C[C@@H]1c1ccccc1 ZINC000290666141 352233811 /nfs/dbraw/zinc/23/38/11/352233811.db2.gz OJHUISAOAQAWCK-ZYHUDNBSSA-N 1 0 219.288 0.426 20 30 BCEDRO C=CC(C)(C)CCNC(=O)[C@H](N)CC[NH+](C)C ZINC000638454884 352264177 /nfs/dbraw/zinc/26/41/77/352264177.db2.gz NDHUAAMQUFHUAA-LLVKDONJSA-N 1 0 241.379 0.984 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627050101 363170342 /nfs/dbraw/zinc/17/03/42/363170342.db2.gz BCTXJKXUSTXPOS-JTQLQIEISA-N 1 0 227.308 0.240 20 30 BCEDRO C=C(C)CCNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627050102 363170423 /nfs/dbraw/zinc/17/04/23/363170423.db2.gz BCTXJKXUSTXPOS-SNVBAGLBSA-N 1 0 227.308 0.240 20 30 BCEDRO C=CC(C)(C)CNC(=O)NCCOCC[NH2+]C ZINC000627050121 363170604 /nfs/dbraw/zinc/17/06/04/363170604.db2.gz BKJWMKNXSLZIBA-UHFFFAOYSA-N 1 0 243.351 0.734 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CCC([NH+](C)C)CC1 ZINC000300941626 363176107 /nfs/dbraw/zinc/17/61/07/363176107.db2.gz DOXFHCPQJIYRFA-LLVKDONJSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)COCC[NH3+])C1 ZINC000638471811 352280607 /nfs/dbraw/zinc/28/06/07/352280607.db2.gz LOILPFMXXROKPA-SNVBAGLBSA-N 1 0 212.293 0.386 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)[C@@H]2C[NH2+]CCO2)C1 ZINC000638471276 352281455 /nfs/dbraw/zinc/28/14/55/352281455.db2.gz AEFKVFOPXXLGFS-QWRGUYRKSA-N 1 0 224.304 0.399 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)C[C@@H]2COCC[NH2+]2)C1 ZINC000638471296 352281529 /nfs/dbraw/zinc/28/15/29/352281529.db2.gz AXBPLTDKMIEPSU-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)[C@H](N)CC[NH+](C)C)C1 ZINC000638471337 352281658 /nfs/dbraw/zinc/28/16/58/352281658.db2.gz COKPLJBSVUCBGT-VXGBXAGGSA-N 1 0 239.363 0.690 20 30 BCEDRO COc1ccncc1CNC(=[NH2+])N(C)C ZINC000292256625 352310409 /nfs/dbraw/zinc/31/04/09/352310409.db2.gz FCTGJVIQZJTSMK-UHFFFAOYSA-N 1 0 208.265 0.467 20 30 BCEDRO CC[C@H](C#N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000044823697 352435294 /nfs/dbraw/zinc/43/52/94/352435294.db2.gz WBIMZPYEDFANGN-NXEZZACHSA-N 1 0 209.293 0.604 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2CC[NH2+][C@H]2CC)nn1 ZINC000638573848 352403861 /nfs/dbraw/zinc/40/38/61/352403861.db2.gz JXALHZOKYDIYPY-VHSXEESVSA-N 1 0 249.318 0.334 20 30 BCEDRO C=CC[C@H](C)[NH2+]Cc1cnc(N)nc1N ZINC000638611710 352451051 /nfs/dbraw/zinc/45/10/51/352451051.db2.gz XDDSLMJTTVLNJW-ZETCQYMHSA-N 1 0 207.281 0.356 20 30 BCEDRO C=CCC(CC=C)C(=O)NC[C@@H]1COCC[NH2+]1 ZINC000638621850 352459768 /nfs/dbraw/zinc/45/97/68/352459768.db2.gz ZFLQHSFJPKFOLI-GFCCVEGCSA-N 1 0 238.331 0.859 20 30 BCEDRO Cn1cc(C[NH2+]CC2(O)CCOCC2)cc1C#N ZINC000232315589 352617496 /nfs/dbraw/zinc/61/74/96/352617496.db2.gz QBQSBKZQPIAFKG-UHFFFAOYSA-N 1 0 249.314 0.528 20 30 BCEDRO C=C(C)CC[N@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC000411916451 191227567 /nfs/dbraw/zinc/22/75/67/191227567.db2.gz MSQHFGQABAZLDR-LBPRGKRZSA-N 1 0 240.347 0.989 20 30 BCEDRO CCN(CC(=O)N1CCOCC1)C[C@H](C)C#N ZINC000042324046 352626987 /nfs/dbraw/zinc/62/69/87/352626987.db2.gz WMMQUMMGDFSZOY-LLVKDONJSA-N 1 0 239.319 0.327 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411949776 191232549 /nfs/dbraw/zinc/23/25/49/191232549.db2.gz NLEQNDRDOYIANR-LBPRGKRZSA-N 1 0 240.347 0.989 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411957903 191235000 /nfs/dbraw/zinc/23/50/00/191235000.db2.gz UIEJIWQYTKZAME-NSHDSACASA-N 1 0 226.320 0.599 20 30 BCEDRO CCN(C)C(=O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000336746271 352738125 /nfs/dbraw/zinc/73/81/25/352738125.db2.gz BBRLHRANGQCPIP-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO CNC(=O)C[C@H](C)[NH2+]CC1(CC#N)CC1 ZINC000336747087 352745853 /nfs/dbraw/zinc/74/58/53/352745853.db2.gz BROXYMGNNYBWPT-VIFPVBQESA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCO[C@@H]([C@H](C)O)C1 ZINC000412071636 191250747 /nfs/dbraw/zinc/25/07/47/191250747.db2.gz GNEUJXPHADTLJZ-SDDRHHMPSA-N 1 0 229.320 0.395 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC1CC[NH+](C)CC1 ZINC000353690338 352869983 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/nfs/dbraw/zinc/17/27/04/188172704.db2.gz YZRDNKGLDDESPT-LLVKDONJSA-N 1 0 202.257 0.306 20 30 BCEDRO C=C(C)C[N@@H+](C)CCN1C(=O)N[C@@H](C)C1=O ZINC000331351059 353245780 /nfs/dbraw/zinc/24/57/80/353245780.db2.gz NZVYBSOVYWRUEX-VIFPVBQESA-N 1 0 225.292 0.639 20 30 BCEDRO C=C[C@@H](C)NC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000334049596 353256212 /nfs/dbraw/zinc/25/62/12/353256212.db2.gz GHVFZJLVRAXYJR-GHMZBOCLSA-N 1 0 241.335 0.581 20 30 BCEDRO CCC(=O)CCC[N@@H+]1CC[C@@H](NC(=O)NC)C1 ZINC000331289784 353242417 /nfs/dbraw/zinc/24/24/17/353242417.db2.gz AZUYZLGKEPQHJX-SNVBAGLBSA-N 1 0 241.335 0.953 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCOC1 ZINC000127388931 353270401 /nfs/dbraw/zinc/27/04/01/353270401.db2.gz RJFSSABPDBDNRS-VWYCJHECSA-N 1 0 226.320 0.692 20 30 BCEDRO N#Cc1ncn(CC[NH2+]C2CCCC2)n1 ZINC000285537548 188223057 /nfs/dbraw/zinc/22/30/57/188223057.db2.gz PQPOYSHLGVVVGY-UHFFFAOYSA-N 1 0 205.265 0.682 20 30 BCEDRO CN(C)C[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336769778 353297641 /nfs/dbraw/zinc/29/76/41/353297641.db2.gz VCGRKZVUDLZMHP-HBNTYKKESA-N 1 0 211.309 0.191 20 30 BCEDRO CCNC(=O)[C@H](C)[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336770274 353300681 /nfs/dbraw/zinc/30/06/81/353300681.db2.gz VNXWQDJXABQBLJ-IVZWLZJFSA-N 1 0 209.293 0.793 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000074316218 353302741 /nfs/dbraw/zinc/30/27/41/353302741.db2.gz CMUQDLCWAMLJPF-VIFPVBQESA-N 1 0 218.322 0.315 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)C[C@@H]1CCCC(=O)N1 ZINC000639044402 353328758 /nfs/dbraw/zinc/32/87/58/353328758.db2.gz LWMBRCGPBUZBLR-GRYCIOLGSA-N 1 0 240.347 0.960 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCCC(=O)N1 ZINC000639044404 353329240 /nfs/dbraw/zinc/32/92/40/353329240.db2.gz LWMBRCGPBUZBLR-QJPTWQEYSA-N 1 0 240.347 0.960 20 30 BCEDRO C=CCCC[N@@H+](C)[C@H](C)C(=O)NC(=O)NC ZINC000076734131 353340587 /nfs/dbraw/zinc/34/05/87/353340587.db2.gz NVLVSOGNDSGNAN-SECBINFHSA-N 1 0 227.308 0.729 20 30 BCEDRO C=CC[NH+]1CCC2(CC1)NC(=O)N(C)C2=O ZINC000090005255 353379058 /nfs/dbraw/zinc/37/90/58/353379058.db2.gz KENZWCJDNMJMKS-UHFFFAOYSA-N 1 0 223.276 0.189 20 30 BCEDRO CC#CCC[N@H+]1CCCN(CC)C(=O)C1 ZINC000190209963 353388397 /nfs/dbraw/zinc/38/83/97/353388397.db2.gz YTVWBIIIZHVOPD-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO Cn1cc(C#N)cc1C(=O)NCC[N@H+](C)C1CC1 ZINC000081713791 353413546 /nfs/dbraw/zinc/41/35/46/353413546.db2.gz KUIDMORDCAQHMN-UHFFFAOYSA-N 1 0 246.314 0.721 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2cnnn2C)CC1 ZINC000281265861 353439992 /nfs/dbraw/zinc/43/99/92/353439992.db2.gz NNIYCAZMGSLNNV-UHFFFAOYSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CCN1C[C@H]2CCC[C@@H]2[C@H]1C(=O)OC ZINC000191170679 353441914 /nfs/dbraw/zinc/44/19/14/353441914.db2.gz LMDJYQYVQZVPTQ-VWYCJHECSA-N 1 0 207.273 0.893 20 30 BCEDRO C=CCNC(=O)C[NH+]1[C@@H](C)CC(O)C[C@@H]1C ZINC000191286976 353455282 /nfs/dbraw/zinc/45/52/82/353455282.db2.gz QJPVUSMSSHUCMC-UWVGGRQHSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CC[N@H+]1CCc2c(ncn(CC)c2=O)C1 ZINC000281083336 353429251 /nfs/dbraw/zinc/42/92/51/353429251.db2.gz USXGLFVCKFTNNB-UHFFFAOYSA-N 1 0 219.288 0.807 20 30 BCEDRO C=CCCOCCNC(=O)NCC[NH+](C)C ZINC000133949853 353435092 /nfs/dbraw/zinc/43/50/92/353435092.db2.gz JDBRWGPXAUVXAX-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCC[C@@H]2CO)C1=O ZINC000281991919 353460500 /nfs/dbraw/zinc/46/05/00/353460500.db2.gz MUKVPUZSTCPTPS-GHMZBOCLSA-N 1 0 224.304 0.230 20 30 BCEDRO C=CCNC(=O)C[N@H+](CCCC)CCCO ZINC000182143008 353461711 /nfs/dbraw/zinc/46/17/11/353461711.db2.gz JEUQNMDXEADLCL-UHFFFAOYSA-N 1 0 228.336 0.773 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H](OC)C2)C1=O ZINC000282090711 353462713 /nfs/dbraw/zinc/46/27/13/353462713.db2.gz VEMBTZMUVGVJPA-QWRGUYRKSA-N 1 0 224.304 0.494 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)C[C@H]1COCCN1 ZINC000320627841 259445037 /nfs/dbraw/zinc/44/50/37/259445037.db2.gz JRTAYJYXGZXEEJ-XQQFMLRXSA-N 1 0 242.363 0.670 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CCC[C@@H](O)C2)C1=O ZINC000281910246 353468280 /nfs/dbraw/zinc/46/82/80/353468280.db2.gz GKMJDKGAZIRLRG-MNOVXSKESA-N 1 0 224.304 0.230 20 30 BCEDRO C#CCCC[N@@H+](CCC)[C@H]1CC(=O)N(C)C1=O ZINC000282558152 353475596 /nfs/dbraw/zinc/47/55/96/353475596.db2.gz TXVGMBDQHCYUKC-NSHDSACASA-N 1 0 236.315 0.869 20 30 BCEDRO CC#CC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000283060531 353494524 /nfs/dbraw/zinc/49/45/24/353494524.db2.gz CYDIIYADSVYLRB-JTQLQIEISA-N 1 0 206.289 0.610 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000284442351 353513433 /nfs/dbraw/zinc/51/34/33/353513433.db2.gz ANAMIRHOJPTFLI-ZDUSSCGKSA-N 1 0 248.330 0.518 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)NCC2C[NH2+]C2)C1 ZINC000627083060 363232672 /nfs/dbraw/zinc/23/26/72/363232672.db2.gz NRUOFHCYTHUAQZ-JTQLQIEISA-N 1 0 223.320 0.813 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCC1CC1 ZINC000135258190 353539943 /nfs/dbraw/zinc/53/99/43/353539943.db2.gz JGQVMUVOZBUQHF-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO CC#CC(=O)NCCC1CC[NH+](C)CC1 ZINC000283345979 353498461 /nfs/dbraw/zinc/49/84/61/353498461.db2.gz PIWRPOBVURXWBL-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)OC ZINC000285867141 353547253 /nfs/dbraw/zinc/54/72/53/353547253.db2.gz XYWNDIVJZZPMOU-NXEZZACHSA-N 1 0 212.293 0.091 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@H]1C(=O)NCC[C@@H]1C ZINC000193647482 353596612 /nfs/dbraw/zinc/59/66/12/353596612.db2.gz XQPNHYMPBHHJFC-HBNTYKKESA-N 1 0 226.320 0.428 20 30 BCEDRO C#CCC(CC#C)C(=O)N[C@@H](C)C[NH+](C)C ZINC000288271801 353596941 /nfs/dbraw/zinc/59/69/41/353596941.db2.gz RUQCHXSMRRZFAZ-NSHDSACASA-N 1 0 220.316 0.716 20 30 BCEDRO C=CCCOCCNC(=O)N[C@@H](C)C[NH+](C)C ZINC000288108232 353600982 /nfs/dbraw/zinc/60/09/82/353600982.db2.gz XNNIDKAEDPONFB-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO C#CC(C)(C)N(C)Cc1nc(N(C)C)no1 ZINC000286088514 353556439 /nfs/dbraw/zinc/55/64/39/353556439.db2.gz KMTUXQYNWIFENL-UHFFFAOYSA-N 1 0 222.292 0.979 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cnc2cnccn12 ZINC000273457735 188445164 /nfs/dbraw/zinc/44/51/64/188445164.db2.gz HAABITHKSHWISN-JTQLQIEISA-N 1 0 232.287 0.756 20 30 BCEDRO CC#CCNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000135653112 353567594 /nfs/dbraw/zinc/56/75/94/353567594.db2.gz YRIJCWJYCNRBJY-JTQLQIEISA-N 1 0 223.320 0.792 20 30 BCEDRO C#Cc1ccc(CN(CC)CC(N)=O)cc1 ZINC000289601683 353622454 /nfs/dbraw/zinc/62/24/54/353622454.db2.gz JAFVSZISQLNZSH-UHFFFAOYSA-N 1 0 216.284 0.975 20 30 BCEDRO C=CC[NH+](CC=C)CCN1CCNC1=O ZINC000289831527 353639950 /nfs/dbraw/zinc/63/99/50/353639950.db2.gz AODOSJRJUXFMBH-UHFFFAOYSA-N 1 0 209.293 0.686 20 30 BCEDRO CCCCN1CCOC[C@H]1C(=O)N[C@@H](C)C#N ZINC000184330020 353645640 /nfs/dbraw/zinc/64/56/40/353645640.db2.gz KZRMCQCIPOWALL-QWRGUYRKSA-N 1 0 239.319 0.516 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC[N@@H+](C)CCOC ZINC000289998545 353645703 /nfs/dbraw/zinc/64/57/03/353645703.db2.gz CLRCYRLLNGCQMI-LBPRGKRZSA-N 1 0 244.335 0.008 20 30 BCEDRO C=CC[C@H]1CCN(C(=O)NC[C@@H](C)[NH3+])C1 ZINC000627088474 363241150 /nfs/dbraw/zinc/24/11/50/363241150.db2.gz IGHNSHHUBRWCNE-ZJUUUORDSA-N 1 0 211.309 0.941 20 30 BCEDRO C=CCCC[N@@H+](C)CCN1CCNC1=O ZINC000290176581 353650486 /nfs/dbraw/zinc/65/04/86/353650486.db2.gz FBCXMTHVKOMSJP-UHFFFAOYSA-N 1 0 211.309 0.910 20 30 BCEDRO C=CCCCN(C)C(=O)[C@H]([NH3+])CCC(=O)OC ZINC000288498284 353608234 /nfs/dbraw/zinc/60/82/34/353608234.db2.gz BDYORKHRSQTLIL-SNVBAGLBSA-N 1 0 242.319 0.692 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)CCOCCOC ZINC000288595339 353611440 /nfs/dbraw/zinc/61/14/40/353611440.db2.gz DQGSBQSSDACNCL-LLVKDONJSA-N 1 0 244.335 0.272 20 30 BCEDRO C#CCNC(=O)N[C@H](C)C[N@@H+](C)C(C)C ZINC000290427900 353663732 /nfs/dbraw/zinc/66/37/32/353663732.db2.gz AUCRUTRRAYACQP-SNVBAGLBSA-N 1 0 211.309 0.648 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000290655545 353666147 /nfs/dbraw/zinc/66/61/47/353666147.db2.gz RHQUIQRQRLEHID-KOLCDFICSA-N 1 0 224.304 0.276 20 30 BCEDRO C[NH2+]C[C@@H](C)CNc1ccncc1C#N ZINC000399022395 353680400 /nfs/dbraw/zinc/68/04/00/353680400.db2.gz FSJTYAPQCZUEOR-SECBINFHSA-N 1 0 204.277 0.643 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000291708435 353697096 /nfs/dbraw/zinc/69/70/96/353697096.db2.gz IKFZPKVBRHOAKD-VXGBXAGGSA-N 1 0 246.314 0.268 20 30 BCEDRO C=C[C@@H](CO)NC(=O)N[C@H](C)CC[NH+](C)C ZINC000291246613 353684271 /nfs/dbraw/zinc/68/42/71/353684271.db2.gz LNTMGECQRODCBA-ZJUUUORDSA-N 1 0 229.324 0.173 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NC[C@@H](C)[NH+](CC)CC ZINC000291570882 353690142 /nfs/dbraw/zinc/69/01/42/353690142.db2.gz OJKGMYYIEIGJOI-MNOVXSKESA-N 1 0 243.351 0.563 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CC[N@@H+](CCC)C1 ZINC000097175088 353712135 /nfs/dbraw/zinc/71/21/35/353712135.db2.gz WKJRUKUZSJZWQR-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO C=C[C@@H](CO)NC(=O)NC[C@H](C)[NH+](CC)CC ZINC000292449932 353714333 /nfs/dbraw/zinc/71/43/33/353714333.db2.gz OJKGMYYIEIGJOI-QWRGUYRKSA-N 1 0 243.351 0.563 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000292758692 353724077 /nfs/dbraw/zinc/72/40/77/353724077.db2.gz IRIGFTJPTOIPGL-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H](n2cc(CO)nn2)C1 ZINC000292888209 353727891 /nfs/dbraw/zinc/72/78/91/353727891.db2.gz FPBGJZHYAVJSDV-LBPRGKRZSA-N 1 0 234.303 0.431 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@H]1CF ZINC000292957180 353729888 /nfs/dbraw/zinc/72/98/88/353729888.db2.gz FKQBTMZVUFBSEO-JTQLQIEISA-N 1 0 212.268 0.560 20 30 BCEDRO C=CCOCC[N@H+]1CCC[C@@H]1C(=O)NC ZINC000292947557 353730209 /nfs/dbraw/zinc/73/02/09/353730209.db2.gz BIHFYXKZXNOQFQ-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC)CC1CC1 ZINC000293003603 353730844 /nfs/dbraw/zinc/73/08/44/353730844.db2.gz GZUSXVLMPGDSDC-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC1([NH+](C)C)CCC1 ZINC000292971994 353730929 /nfs/dbraw/zinc/73/09/29/353730929.db2.gz MSCVTOGCVQYTMM-SNVBAGLBSA-N 1 0 241.335 0.317 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)NCC1([NH+](C)C)CCC1 ZINC000097932822 353753613 /nfs/dbraw/zinc/75/36/13/353753613.db2.gz OEABBTLZDCOHNO-VIFPVBQESA-N 1 0 245.348 0.302 20 30 BCEDRO C#CCNC(=O)CC[N@H+](CC)CCOC ZINC000293667019 353760807 /nfs/dbraw/zinc/76/08/07/353760807.db2.gz ZCSRPZZFNMBINY-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C#CCNC(=O)CCN1CCC=C(F)C1 ZINC000293892350 353762445 /nfs/dbraw/zinc/76/24/45/353762445.db2.gz VGQDMLKDKHVGKI-UHFFFAOYSA-N 1 0 210.252 0.685 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cnc[nH]1 ZINC000293998047 353766436 /nfs/dbraw/zinc/76/64/36/353766436.db2.gz OMSDGPFFUNVNCE-UHFFFAOYSA-N 1 0 220.276 0.095 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC=C(C)C1 ZINC000294018868 353767055 /nfs/dbraw/zinc/76/70/55/353767055.db2.gz HFAANQLQVKRDNN-UHFFFAOYSA-N 1 0 206.289 0.778 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCCSCC1 ZINC000293828227 353769001 /nfs/dbraw/zinc/76/90/01/353769001.db2.gz PPZGFHUWSOVCGQ-UHFFFAOYSA-N 1 0 226.345 0.565 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CCC[N@H+](C)CC1 ZINC000294436101 353778248 /nfs/dbraw/zinc/77/82/48/353778248.db2.gz RRMKUJOZKKPGOX-LLVKDONJSA-N 1 0 224.304 0.189 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000293035355 353736498 /nfs/dbraw/zinc/73/64/98/353736498.db2.gz GPINYWAJDMSOTA-LLVKDONJSA-N 1 0 207.277 0.199 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCS[C@@H](C)[C@H]1C ZINC000293308192 353740701 /nfs/dbraw/zinc/74/07/01/353740701.db2.gz ZXIBUOMPUSDKRG-MNOVXSKESA-N 1 0 240.372 0.952 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@@H](C)c1ccc(=O)[nH]n1 ZINC000295032556 353796493 /nfs/dbraw/zinc/79/64/93/353796493.db2.gz OSRDFKMXHOLKHJ-NSHDSACASA-N 1 0 248.330 0.376 20 30 BCEDRO C#CC[NH+](CC#C)C[C@H]1CCNC(=O)CC1 ZINC000295059481 353797071 /nfs/dbraw/zinc/79/70/71/353797071.db2.gz PHXUYBJCONLPPB-GFCCVEGCSA-N 1 0 218.300 0.471 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@H+](C)CC(C)(C)CO ZINC000295125347 353801828 /nfs/dbraw/zinc/80/18/28/353801828.db2.gz AGWGRELGLFGPGC-SNVBAGLBSA-N 1 0 228.336 0.627 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N(C)CC[NH+](C)C ZINC000295303281 353803471 /nfs/dbraw/zinc/80/34/71/353803471.db2.gz NPFBGDIQROOHJP-JTQLQIEISA-N 1 0 212.293 0.045 20 30 BCEDRO C#CCN(Cc1cn(CC(=O)OC)nn1)C1CC1 ZINC000295394882 353804885 /nfs/dbraw/zinc/80/48/85/353804885.db2.gz LOJXHAYJNSQCQO-UHFFFAOYSA-N 1 0 248.286 0.049 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)C(C)(C)C(N)=O ZINC000295651190 353810690 /nfs/dbraw/zinc/81/06/90/353810690.db2.gz HLBNELDVZFXMHK-VIFPVBQESA-N 1 0 214.309 0.509 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000296835770 353829206 /nfs/dbraw/zinc/82/92/06/353829206.db2.gz LMDSJCLYDHWJCC-MXWKQRLJSA-N 1 0 223.320 0.742 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H](O)CNC(=O)OC(C)(C)C ZINC000296694164 353830489 /nfs/dbraw/zinc/83/04/89/353830489.db2.gz MCRQGRBNEBJUAP-JTQLQIEISA-N 1 0 244.335 0.990 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)CNC(=O)OC(C)(C)C ZINC000296694167 353830935 /nfs/dbraw/zinc/83/09/35/353830935.db2.gz MCRQGRBNEBJUAP-SNVBAGLBSA-N 1 0 244.335 0.990 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)COCC(=O)OC)C(C)C ZINC000296988974 353839092 /nfs/dbraw/zinc/83/90/92/353839092.db2.gz VSCFWJOUNMBJMX-MNOVXSKESA-N 1 0 227.304 0.812 20 30 BCEDRO CC#CCN(C)C(=O)C[N@@H+](CC)C1CC1 ZINC000294625332 353787214 /nfs/dbraw/zinc/78/72/14/353787214.db2.gz RQTCRHREULSCSR-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@H](CO)CC(C)C ZINC000185359848 353793976 /nfs/dbraw/zinc/79/39/76/353793976.db2.gz NBJDXCOMHJAWOW-NSHDSACASA-N 1 0 228.336 0.627 20 30 BCEDRO N#CC1(C(=O)N2CC[NH2+]CC2)CCCC1 ZINC000044765645 181028024 /nfs/dbraw/zinc/02/80/24/181028024.db2.gz MTHWAWOYWANQFL-UHFFFAOYSA-N 1 0 207.277 0.502 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1ncnn1C ZINC000639147501 353852618 /nfs/dbraw/zinc/85/26/18/353852618.db2.gz RYPSZAFCHMWJEW-ZYHUDNBSSA-N 1 0 236.319 0.886 20 30 BCEDRO C=C[C@H]1CCCC[N@H+]1C[C@@](C)(O)C(=O)OC ZINC000343760578 353976311 /nfs/dbraw/zinc/97/63/11/353976311.db2.gz BGLAZDDKMVLLLK-CMPLNLGQSA-N 1 0 227.304 0.951 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)C[N@H+](C)C(C)C ZINC000343647402 353952595 /nfs/dbraw/zinc/95/25/95/353952595.db2.gz WGGFEBBCLAYZFE-SNVBAGLBSA-N 1 0 211.309 0.991 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]1NC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000333783538 181060003 /nfs/dbraw/zinc/06/00/03/181060003.db2.gz LHIDROILXMPPSG-AXFHLTTASA-N 1 0 236.319 0.730 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@@H]2CCCS2(=O)=O)C1 ZINC000328600675 181060716 /nfs/dbraw/zinc/06/07/16/181060716.db2.gz DESBAXIZYUCRSQ-VWYCJHECSA-N 1 0 242.344 0.845 20 30 BCEDRO N#CC1(C[N@H+]2C[C@@H]3CC[C@@H](O)[C@@H]3C2)CC1 ZINC000344051523 354123584 /nfs/dbraw/zinc/12/35/84/354123584.db2.gz IEDQQHXEBVMKRR-HBNTYKKESA-N 1 0 206.289 0.993 20 30 BCEDRO CCN(CC#N)C(=O)[C@@H](C(C)C)[NH+](C)C ZINC000344169739 354170700 /nfs/dbraw/zinc/17/07/00/354170700.db2.gz DACLMSKGLDAGOS-SNVBAGLBSA-N 1 0 211.309 0.945 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](OC)C1 ZINC000267620980 166388820 /nfs/dbraw/zinc/38/88/20/166388820.db2.gz DPTWQLXBVTXHNM-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](CO)C[C@@H]1C ZINC000344120972 354144491 /nfs/dbraw/zinc/14/44/91/354144491.db2.gz DHEJTHLSOUCFRH-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO CCC[C@]1(CO)CC[N@H+](CC(=O)NCC#N)C1 ZINC000344235418 354186530 /nfs/dbraw/zinc/18/65/30/354186530.db2.gz LCCZUTPKNZHCNV-LBPRGKRZSA-N 1 0 239.319 0.111 20 30 BCEDRO COCCN[C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000053256731 358485089 /nfs/dbraw/zinc/48/50/89/358485089.db2.gz GBHCFKYQFCSXRP-LLVKDONJSA-N 1 0 233.271 0.321 20 30 BCEDRO C[C@]1([NH2+]CC(=O)NCC#N)CCO[C@H]1C1CC1 ZINC000344368083 354244539 /nfs/dbraw/zinc/24/45/39/354244539.db2.gz XKVONHCKVYAFGE-RYUDHWBXSA-N 1 0 237.303 0.173 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCN(CCOC)C1 ZINC000344326119 354249133 /nfs/dbraw/zinc/24/91/33/354249133.db2.gz NJOSCMQPCVYUNC-STQMWFEESA-N 1 0 242.363 0.481 20 30 BCEDRO C=CC[C@H](C)NC(=O)C[C@@H](C[NH3+])OC ZINC000232125181 363363466 /nfs/dbraw/zinc/36/34/66/363363466.db2.gz OVPDRRXBAIDHAY-IUCAKERBSA-N 1 0 200.282 0.431 20 30 BCEDRO CC[C@@H](C(=O)N[C@@H](C#N)C1CC1)[NH+](C)C ZINC000331755640 134001477 /nfs/dbraw/zinc/00/14/77/134001477.db2.gz LZGVKBZGGSIHFL-UWVGGRQHSA-N 1 0 209.293 0.745 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000344536528 354284805 /nfs/dbraw/zinc/28/48/05/354284805.db2.gz JAKQGAHNDVZTBC-LLVKDONJSA-N 1 0 246.376 0.953 20 30 BCEDRO C=CCCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000344506503 354290019 /nfs/dbraw/zinc/29/00/19/354290019.db2.gz CCMYGJYWJJZUMQ-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[NH+](C(C)C)CC1 ZINC000301045168 363372910 /nfs/dbraw/zinc/37/29/10/363372910.db2.gz NJCJJAWSGQZOOW-LLVKDONJSA-N 1 0 226.320 0.740 20 30 BCEDRO CS[C@@H]1CN(C(=O)[C@@H](C)C#N)C[C@H]1[NH+](C)C ZINC000344761929 354355935 /nfs/dbraw/zinc/35/59/35/354355935.db2.gz ROLGQUDLFNLMID-IVZWLZJFSA-N 1 0 241.360 0.650 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCCN2CCOCC2)o1 ZINC000135123364 181107913 /nfs/dbraw/zinc/10/79/13/181107913.db2.gz FESIDVMEUZTMAY-UHFFFAOYSA-N 1 0 249.314 0.963 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)CO)cc1 ZINC000083344631 181108566 /nfs/dbraw/zinc/10/85/66/181108566.db2.gz XZCWZVVCJAJUBY-LLVKDONJSA-N 1 0 206.245 0.001 20 30 BCEDRO N#Cc1ccc(C[NH2+]CC2(CO)COC2)cc1 ZINC000344842097 181108651 /nfs/dbraw/zinc/10/86/51/181108651.db2.gz URXAEPRNKZXTOX-UHFFFAOYSA-N 1 0 232.283 0.657 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](NC(N)=O)C2)cc1 ZINC000270623420 181104880 /nfs/dbraw/zinc/10/48/80/181104880.db2.gz KHCNJYXBORRJJP-GFCCVEGCSA-N 1 0 244.298 0.801 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](C(N)=O)C2)o1 ZINC000157122589 181105139 /nfs/dbraw/zinc/10/51/39/181105139.db2.gz WZVTWLCYBDCFHN-MRVPVSSYSA-N 1 0 219.244 0.458 20 30 BCEDRO N#Cc1ccc(C[N@@H+]2CC[C@@H]3C(=O)NC[C@H]3C2)o1 ZINC000368214248 181105164 /nfs/dbraw/zinc/10/51/64/181105164.db2.gz FBTLWYNPHPBSFT-CABZTGNLSA-N 1 0 245.282 0.719 20 30 BCEDRO N#Cc1ccc(C[N@@H+]2CC[C@H]3C(=O)NC[C@@H]3C2)o1 ZINC000368214247 181105648 /nfs/dbraw/zinc/10/56/48/181105648.db2.gz FBTLWYNPHPBSFT-BXKDBHETSA-N 1 0 245.282 0.719 20 30 BCEDRO N#Cc1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc1 ZINC000236529606 181106132 /nfs/dbraw/zinc/10/61/32/181106132.db2.gz YPKWOLMBDSTNNH-VXGBXAGGSA-N 1 0 218.256 0.096 20 30 BCEDRO CC[NH+](CC)C[C@@H](C)Nc1ccnc(C#N)n1 ZINC000383614324 354379948 /nfs/dbraw/zinc/37/99/48/354379948.db2.gz UAQZIIAOMOISSN-SNVBAGLBSA-N 1 0 233.319 0.912 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000334645859 354435628 /nfs/dbraw/zinc/43/56/28/354435628.db2.gz OOSWUJHBTPZNRJ-UWVGGRQHSA-N 1 0 210.277 0.152 20 30 BCEDRO CC[C@H](C(=O)N1CCSC[C@H]1C#N)[NH+](C)C ZINC000334651458 354444464 /nfs/dbraw/zinc/44/44/64/354444464.db2.gz DKBPYDAPZPUHTR-NXEZZACHSA-N 1 0 241.360 0.794 20 30 BCEDRO N#Cc1cccc(C[NH2+]C[C@]2(O)CCOC2)c1 ZINC000179026086 181138312 /nfs/dbraw/zinc/13/83/12/181138312.db2.gz IRMNIQFKLIFXDW-CYBMUJFWSA-N 1 0 232.283 0.799 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CC[C@H](O)C2(C)C)C1=O ZINC000334695413 354486760 /nfs/dbraw/zinc/48/67/60/354486760.db2.gz CLLOLLVZCHTOOG-MNOVXSKESA-N 1 0 238.331 0.619 20 30 BCEDRO N#Cc1cccc(C(=O)N[C@H]2CC[NH2+]C2)c1 ZINC000052092976 181136227 /nfs/dbraw/zinc/13/62/27/181136227.db2.gz DPYMCYAEAZPBNY-NSHDSACASA-N 1 0 215.256 0.650 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000345638537 354720796 /nfs/dbraw/zinc/72/07/96/354720796.db2.gz YLJTXMKZVOCNBT-ZDUSSCGKSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCN(C)C(=O)NCCOCC[NH2+]C ZINC000627174165 363422226 /nfs/dbraw/zinc/42/22/26/363422226.db2.gz LPWLVUVKRIPGQJ-UHFFFAOYSA-N 1 0 215.297 0.050 20 30 BCEDRO C=CCCCN(C)C(=O)NCCOCC[NH2+]C ZINC000627175817 363422315 /nfs/dbraw/zinc/42/23/15/363422315.db2.gz AQCORCSWBBPZSF-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C[NH+](C)CCCCNC(=O)CSCC#N ZINC000346410787 354914425 /nfs/dbraw/zinc/91/44/25/354914425.db2.gz GYGSRLXOYKMDRS-UHFFFAOYSA-N 1 0 229.349 0.701 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCN2C(=O)CC[C@H]2C1 ZINC000346456371 354948734 /nfs/dbraw/zinc/94/87/34/354948734.db2.gz OLRFKFFSPKTCDF-NWDGAFQWSA-N 1 0 238.331 0.620 20 30 BCEDRO CC(C)[N@H+](CCO)CC(=O)NC1(C#N)CCC1 ZINC000346818542 355124085 /nfs/dbraw/zinc/12/40/85/355124085.db2.gz GBQVGOPZMDKDKZ-UHFFFAOYSA-N 1 0 239.319 0.252 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000346974752 355209985 /nfs/dbraw/zinc/20/99/85/355209985.db2.gz FTPVVKCHERZRHF-NXEZZACHSA-N 1 0 212.293 0.354 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1C[C@H](O)C[C@H]1CO ZINC000346974757 355210039 /nfs/dbraw/zinc/21/00/39/355210039.db2.gz FTPVVKCHERZRHF-VHSXEESVSA-N 1 0 212.293 0.354 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]Cc1cnc(N)nc1N ZINC000639232892 355214849 /nfs/dbraw/zinc/21/48/49/355214849.db2.gz QQVLCBXDDLHVEK-ZJUUUORDSA-N 1 0 249.318 0.125 20 30 BCEDRO COC[C@@H](C)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000584346167 355368261 /nfs/dbraw/zinc/36/82/61/355368261.db2.gz VMECFMYZEDUMJS-NWDGAFQWSA-N 1 0 243.351 0.065 20 30 BCEDRO CC(N=NC(N)=[NH2+])C1CCSCC1 ZINC000308351052 355373317 /nfs/dbraw/zinc/37/33/17/355373317.db2.gz YIGWQUNBLUGFSC-UHFFFAOYSA-N 1 0 200.311 0.989 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000388920482 355339074 /nfs/dbraw/zinc/33/90/74/355339074.db2.gz ANHFEDWPLISUAW-WOPDTQHZSA-N 1 0 238.331 0.529 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639274503 355342465 /nfs/dbraw/zinc/34/24/65/355342465.db2.gz JLHKZIKSOOYGED-TUAOUCFPSA-N 1 0 238.331 0.836 20 30 BCEDRO CC(C)[N@H+](C)CCCNc1ccnc(C#N)n1 ZINC000383808212 355357545 /nfs/dbraw/zinc/35/75/45/355357545.db2.gz UVYSXPPWBMJWAN-UHFFFAOYSA-N 1 0 233.319 0.912 20 30 BCEDRO CO[C@H](C)C[N@H+](C)CCC(=O)N(C)CCC#N ZINC000336724904 358496773 /nfs/dbraw/zinc/49/67/73/358496773.db2.gz ZMWNEIIRCBGREK-LLVKDONJSA-N 1 0 241.335 0.715 20 30 BCEDRO C#Cc1cccc(NC(=O)[C@H]2C[C@H](OC)C[NH2+]2)c1 ZINC000040630979 358496884 /nfs/dbraw/zinc/49/68/84/358496884.db2.gz IFYLAKPPKXTBPA-QWHCGFSZSA-N 1 0 244.294 0.983 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C1CCN(CCOC)CC1 ZINC000349826822 355486069 /nfs/dbraw/zinc/48/60/69/355486069.db2.gz ASPYGIQILYCSAJ-CYBMUJFWSA-N 1 0 242.363 0.624 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000335833690 355561601 /nfs/dbraw/zinc/56/16/01/355561601.db2.gz FLWMESHRABTCPI-MWLCHTKSSA-N 1 0 221.304 0.841 20 30 BCEDRO C[C@@H](C#N)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000335833691 355561623 /nfs/dbraw/zinc/56/16/23/355561623.db2.gz FLWMESHRABTCPI-ONGXEEELSA-N 1 0 221.304 0.841 20 30 BCEDRO C=CCOCC[NH2+]C1(CC(=O)OC)CC1 ZINC000583567560 355629474 /nfs/dbraw/zinc/62/94/74/355629474.db2.gz CQRCWVXUTQJOOQ-UHFFFAOYSA-N 1 0 213.277 0.874 20 30 BCEDRO C=CCSCCNC(=O)NCC[NH3+] ZINC000417344305 191788880 /nfs/dbraw/zinc/78/88/80/191788880.db2.gz PZIOXUJSOUGTIO-UHFFFAOYSA-N 1 0 203.311 0.164 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000335887096 355678719 /nfs/dbraw/zinc/67/87/19/355678719.db2.gz BTJGVPDWHBDRCQ-NWDGAFQWSA-N 1 0 235.331 0.936 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C[C@H]1CCCC(=O)N1 ZINC000639325676 355725243 /nfs/dbraw/zinc/72/52/43/355725243.db2.gz AFUPCVRMPGEKFH-GMTAPVOTSA-N 1 0 226.320 0.570 20 30 BCEDRO C=C(C)CNC(=O)NC[C@H]1COCCN1C ZINC000623908539 355854872 /nfs/dbraw/zinc/85/48/72/355854872.db2.gz FZFDGYLZEBAAMN-JTQLQIEISA-N 1 0 227.308 0.192 20 30 BCEDRO C=CC[C@@H](C)[C@@H](C)[NH+](CCO)CCO ZINC000628369569 355875753 /nfs/dbraw/zinc/87/57/53/355875753.db2.gz JITKXVUFGLWSFQ-GHMZBOCLSA-N 1 0 201.310 0.874 20 30 BCEDRO Cc1cc(C#N)nc(N[C@@H]2CCC[NH2+]C2)n1 ZINC000231942714 191919377 /nfs/dbraw/zinc/91/93/77/191919377.db2.gz RMCPXANQMZRKIM-SECBINFHSA-N 1 0 217.276 0.821 20 30 BCEDRO CN1CCO[C@@H](C(=O)NCCC2(O)CCC2)C1 ZINC000329147375 355899755 /nfs/dbraw/zinc/89/97/55/355899755.db2.gz OYPAMOYXGLDXNG-SNVBAGLBSA-N 1 0 242.319 0.579 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2CC[C@@H]([NH3+])[C@H]2C1 ZINC000351158367 355955854 /nfs/dbraw/zinc/95/58/54/355955854.db2.gz BLVMXTKEDSSHRW-GARJFASQSA-N 1 0 224.304 0.385 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000367127224 356038665 /nfs/dbraw/zinc/03/86/65/356038665.db2.gz RHAUAEMBAKGILO-ZWSXMNCCSA-N 1 0 239.319 0.563 20 30 BCEDRO C=CCCCNC(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418097194 191968752 /nfs/dbraw/zinc/96/87/52/191968752.db2.gz JQYWQBQUEFLTPZ-LLVKDONJSA-N 1 0 240.351 0.155 20 30 BCEDRO C=CCCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418101941 191969114 /nfs/dbraw/zinc/96/91/14/191969114.db2.gz SVLFVHNTZHHJKS-SNVBAGLBSA-N 1 0 211.309 0.989 20 30 BCEDRO C[C@H]1C[N@H+](CCCSCC#N)C[C@H]1O ZINC000351806593 356088046 /nfs/dbraw/zinc/08/80/46/356088046.db2.gz FWSKMKZQDBENOJ-VHSXEESVSA-N 1 0 214.334 0.946 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCCC[NH3+] ZINC000418254601 192004871 /nfs/dbraw/zinc/00/48/71/192004871.db2.gz QUGRDCTZRWPSPM-ZJUUUORDSA-N 1 0 227.308 0.368 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)[C@H](C)C[NH3+] ZINC000418257468 192005721 /nfs/dbraw/zinc/00/57/21/192005721.db2.gz VBTJQQCZXCDJAG-MXWKQRLJSA-N 1 0 241.335 0.709 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000418255575 192005757 /nfs/dbraw/zinc/00/57/57/192005757.db2.gz RVEZNTXPIABSGU-RGOKHQFPSA-N 1 0 227.308 0.365 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N[C@H](C)[C@@H](C)[NH3+] ZINC000418253807 192008733 /nfs/dbraw/zinc/00/87/33/192008733.db2.gz PZPSQMLDAOKHGG-DBIOUOCHSA-N 1 0 241.335 0.755 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NCCC[NH2+]C ZINC000418276938 192011612 /nfs/dbraw/zinc/01/16/12/192011612.db2.gz HIMSCDNKISOANR-JTQLQIEISA-N 1 0 229.324 0.222 20 30 BCEDRO CN1CCO[C@H](C(=O)NC[C@]2(C)CCOC2)C1 ZINC000329895379 356140531 /nfs/dbraw/zinc/14/05/31/356140531.db2.gz KLJWKBYSFOUPEN-JQWIXIFHSA-N 1 0 242.319 0.700 20 30 BCEDRO C=CC1CCN(C(=O)NCCC[NH3+])CC1 ZINC000418317043 192023603 /nfs/dbraw/zinc/02/36/03/192023603.db2.gz XWDXBLRAXQHKNR-UHFFFAOYSA-N 1 0 211.309 0.943 20 30 BCEDRO CC#CCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418319985 192024129 /nfs/dbraw/zinc/02/41/29/192024129.db2.gz POGZEQVAYDBXFS-JTQLQIEISA-N 1 0 209.293 0.309 20 30 BCEDRO C=CCCNC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000617616877 356191769 /nfs/dbraw/zinc/19/17/69/356191769.db2.gz LELALNSTEAKSDR-NSHDSACASA-N 1 0 223.320 0.069 20 30 BCEDRO C[C@H](CC[NH3+])NC(=O)NCC(C)(C)CC#N ZINC000418290805 192016573 /nfs/dbraw/zinc/01/65/73/192016573.db2.gz LXHNUQWEODUSRL-SECBINFHSA-N 1 0 226.324 0.963 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@@H]2C[NH2+]C)C1=O ZINC000420289718 192201538 /nfs/dbraw/zinc/20/15/38/192201538.db2.gz KWRGVOYXOXLXSC-NEPJUHHUSA-N 1 0 237.347 0.457 20 30 BCEDRO C=CCN1CC[C@@H](N(C2CC2)[C@@H]2CC[NH2+]C2)C1=O ZINC000420308090 192210379 /nfs/dbraw/zinc/21/03/79/192210379.db2.gz CKEWKDKRNZXQIV-CHWSQXEVSA-N 1 0 249.358 0.600 20 30 BCEDRO C[C@@](C#N)(NC(=O)C[NH+]1CCCC1)C1CC1 ZINC000007016162 356364564 /nfs/dbraw/zinc/36/45/64/356364564.db2.gz JUWXECRAELTTTA-LBPRGKRZSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CC)C[C@H](C)O)C1=O ZINC000352195654 134098727 /nfs/dbraw/zinc/09/87/27/134098727.db2.gz SFHJAFSMUOVKIS-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@H]3C[NH2+]C[C@@H]3C2)C1=O ZINC000420321468 192227515 /nfs/dbraw/zinc/22/75/15/192227515.db2.gz VHEGFPOMABMFNK-XQQFMLRXSA-N 1 0 249.358 0.315 20 30 BCEDRO C=CCN1CC[C@@H](N[C@](C)(C[NH3+])C(C)C)C1=O ZINC000420326765 192230600 /nfs/dbraw/zinc/23/06/00/192230600.db2.gz XPUZPBGNFOSDIV-DGCLKSJQSA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CC)C[C@@H](C)O)C1=O ZINC000352195653 134098694 /nfs/dbraw/zinc/09/86/94/134098694.db2.gz SFHJAFSMUOVKIS-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO COCCC[N@H+](C)CCNc1cncc(C#N)n1 ZINC000420593370 192247621 /nfs/dbraw/zinc/24/76/21/192247621.db2.gz BQSIVMQXEMOZQJ-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO COCC[N@@H+]1CC[C@@H](Nc2cncc(C#N)n2)C1 ZINC000420605841 192248634 /nfs/dbraw/zinc/24/86/34/192248634.db2.gz WBGITMBIYSCWDL-SNVBAGLBSA-N 1 0 247.302 0.481 20 30 BCEDRO CC#CCCNS(=O)(=O)CC[NH+](CC)CC ZINC000352227332 134110549 /nfs/dbraw/zinc/11/05/49/134110549.db2.gz MKOPGMYFHZGIAY-UHFFFAOYSA-N 1 0 246.376 0.661 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@H](O)CC1(O)CCOCC1 ZINC000639609767 356528285 /nfs/dbraw/zinc/52/82/85/356528285.db2.gz STNWPPPVJFIIAN-LBPRGKRZSA-N 1 0 243.347 0.787 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NC[C@H]2CC[NH2+]C2)C1 ZINC000333589984 134118568 /nfs/dbraw/zinc/11/85/68/134118568.db2.gz OYHLEGJDHAFPLU-GARJFASQSA-N 1 0 236.319 0.587 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000420932540 192286800 /nfs/dbraw/zinc/28/68/00/192286800.db2.gz HDPMWPNXTAYEBF-NWDGAFQWSA-N 1 0 243.347 0.785 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@@H](CO)OC(C)(C)C1 ZINC000420932539 192287215 /nfs/dbraw/zinc/28/72/15/192287215.db2.gz HDPMWPNXTAYEBF-NEPJUHHUSA-N 1 0 243.347 0.785 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H](C)C[NH3+] ZINC000237522737 363471816 /nfs/dbraw/zinc/47/18/16/363471816.db2.gz GJNQZNVQKSQZQU-SNVBAGLBSA-N 1 0 214.309 0.680 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)N1CC([NH+](C)C)C1 ZINC000336203258 134131311 /nfs/dbraw/zinc/13/13/11/134131311.db2.gz PMKPHZNYOSYISR-LDYMZIIASA-N 1 0 207.277 0.309 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@H](O)CC[C@H]2C)C1=O ZINC000421035993 192310459 /nfs/dbraw/zinc/31/04/59/192310459.db2.gz ZSKHXCHMYXMNRM-UTUOFQBUSA-N 1 0 238.331 0.619 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](CCO)CC1 ZINC000421045380 192311528 /nfs/dbraw/zinc/31/15/28/192311528.db2.gz UWDWODYDKUTDTO-GFCCVEGCSA-N 1 0 240.347 0.773 20 30 BCEDRO CC#CC[N@H+](C)C[C@H](O)C[C@@](C)(O)C1CC1 ZINC000639659502 356568460 /nfs/dbraw/zinc/56/84/60/356568460.db2.gz PHKLIWHGAGVHQH-CHWSQXEVSA-N 1 0 225.332 0.854 20 30 BCEDRO C[C@@H](Cn1cccn1)[NH2+]C1CCN(CC#N)CC1 ZINC000613559546 363482710 /nfs/dbraw/zinc/48/27/10/363482710.db2.gz YJQSCPDOMHDHAI-LBPRGKRZSA-N 1 0 247.346 0.849 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]([NH3+])CCC(=O)OC ZINC000288486655 363492235 /nfs/dbraw/zinc/49/22/35/363492235.db2.gz AGAYTRYLKDVHND-ZETCQYMHSA-N 1 0 234.683 0.136 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N(C)CC[NH+](C)C ZINC000450020044 202068601 /nfs/dbraw/zinc/06/86/01/202068601.db2.gz DMTBWUZLRNMJPV-MNOVXSKESA-N 1 0 226.320 0.598 20 30 BCEDRO C[C@H]1C[C@@]1(C#N)C(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000449984818 202063004 /nfs/dbraw/zinc/06/30/04/202063004.db2.gz KKMVEGREHALRSM-BLFANLJRSA-N 1 0 235.331 0.945 20 30 BCEDRO C=CCCCN(C)C(=O)NCCOCCC[NH3+] ZINC000627212020 363506813 /nfs/dbraw/zinc/50/68/13/363506813.db2.gz IJAZZOFABBZNJH-UHFFFAOYSA-N 1 0 243.351 0.959 20 30 BCEDRO C=CCCC[N@@H+](CCO)CCN1CCOCC1 ZINC000152983098 538468673 /nfs/dbraw/zinc/46/86/73/538468673.db2.gz GYGDRMXQLBJWCM-UHFFFAOYSA-N 1 0 242.363 0.579 20 30 BCEDRO CNC(=O)[C@@H]1CCC[N@H+](CC2(C#N)CC2)C1 ZINC000336359623 134144615 /nfs/dbraw/zinc/14/46/15/134144615.db2.gz DBODOCUOAKADCH-SNVBAGLBSA-N 1 0 221.304 0.748 20 30 BCEDRO C=C(C)CC[NH+]1CCN(c2nc[nH]n2)CC1 ZINC000639730570 356624336 /nfs/dbraw/zinc/62/43/36/356624336.db2.gz CZKIWJFUZLIASL-UHFFFAOYSA-N 1 0 221.308 0.893 20 30 BCEDRO C[C@@H]1CC[N@H+](C)CCN1c1nccc(C#N)n1 ZINC000450331504 202129024 /nfs/dbraw/zinc/12/90/24/202129024.db2.gz REXVCBGXUDWLGB-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2CC[N@@H+](C)C[C@@H]21 ZINC000352581033 134149086 /nfs/dbraw/zinc/14/90/86/134149086.db2.gz QRBGQWCDMAKAOV-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000609921754 356655015 /nfs/dbraw/zinc/65/50/15/356655015.db2.gz ADWBSNFMPZLCID-MWLCHTKSSA-N 1 0 221.304 0.747 20 30 BCEDRO CC(C)[NH2+]CCC(=O)Nc1n[nH]cc1C#N ZINC000582240178 356670730 /nfs/dbraw/zinc/67/07/30/356670730.db2.gz UUZOIXHUXGJNFN-UHFFFAOYSA-N 1 0 221.264 0.608 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CCC[NH2+]CC1 ZINC000309649193 134160903 /nfs/dbraw/zinc/16/09/03/134160903.db2.gz RUNJSYUUUDKCIJ-JTQLQIEISA-N 1 0 232.349 0.624 20 30 BCEDRO C=CC1CC[NH+](C[C@H](O)COCCOC)CC1 ZINC000450384553 202147922 /nfs/dbraw/zinc/14/79/22/202147922.db2.gz BNLIZUJQNSQLBZ-ZDUSSCGKSA-N 1 0 243.347 0.908 20 30 BCEDRO N#CCCCC[N@H+]1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000353119675 134161981 /nfs/dbraw/zinc/16/19/81/134161981.db2.gz OQTISBGCJNCHLV-WDEREUQCSA-N 1 0 242.344 0.799 20 30 BCEDRO CO[C@@H](C)C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000353253204 134162664 /nfs/dbraw/zinc/16/26/64/134162664.db2.gz KWMQBGZEMJUMOD-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO C[C@H](C[NH+](C)C)NC(=O)NCCCC#N ZINC000355067050 134171654 /nfs/dbraw/zinc/17/16/54/134171654.db2.gz WBYIZFINSJTLML-SECBINFHSA-N 1 0 212.297 0.539 20 30 BCEDRO C=CCOCC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000355611027 134174110 /nfs/dbraw/zinc/17/41/10/134174110.db2.gz TVFYLIDPBLBHNM-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCCOCC[NH+](C)C ZINC000355649131 134174148 /nfs/dbraw/zinc/17/41/48/134174148.db2.gz KUVYZBPPNNORFM-LBPRGKRZSA-N 1 0 244.335 0.008 20 30 BCEDRO CCc1cc(NCCn2cnc(C#N)n2)cc[nH+]1 ZINC000450526490 202190937 /nfs/dbraw/zinc/19/09/37/202190937.db2.gz VJEHSYWHFOCWCI-UHFFFAOYSA-N 1 0 242.286 0.641 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000385003980 356846097 /nfs/dbraw/zinc/84/60/97/356846097.db2.gz WDANSKYROCMDGF-UKKRHICBSA-N 1 0 221.304 0.555 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H](C[NH+](C)C)C1 ZINC000114200116 134175125 /nfs/dbraw/zinc/17/51/25/134175125.db2.gz VNLIFQQOXLTMPQ-NWDGAFQWSA-N 1 0 239.363 0.561 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](O)C[C@@]1(C)CO ZINC000639852619 356856592 /nfs/dbraw/zinc/85/65/92/356856592.db2.gz UWORAXOYEUGLSS-TUAOUCFPSA-N 1 0 229.320 0.131 20 30 BCEDRO N#CCC(=O)N1CC[C@H](C[NH+]2CCCC2)C1 ZINC000356845295 134179670 /nfs/dbraw/zinc/17/96/70/134179670.db2.gz NPBYTRHWENGCDS-LLVKDONJSA-N 1 0 221.304 0.844 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H](C)[NH+]1CCCCCC1 ZINC000356835896 134180016 /nfs/dbraw/zinc/18/00/16/134180016.db2.gz MPCXLBLMIOTIHC-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCOCC(=O)N[C@@H](C)CC[NH+](C)C ZINC000356430230 134178096 /nfs/dbraw/zinc/17/80/96/134178096.db2.gz VGXHFZZQTMLYJI-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H]1COc2ccccc2O1 ZINC000639865538 356966182 /nfs/dbraw/zinc/96/61/82/356966182.db2.gz QPBCZDGMYIPKST-MNOVXSKESA-N 1 0 235.283 0.963 20 30 BCEDRO COCC[N@H+](C)CCNc1ccncc1C#N ZINC000399549559 356976166 /nfs/dbraw/zinc/97/61/66/356976166.db2.gz BQIKDPHKRUMGJY-UHFFFAOYSA-N 1 0 234.303 0.365 20 30 BCEDRO CN(CC[NH+](C)C)c1ccncc1C#N ZINC000399599576 356984304 /nfs/dbraw/zinc/98/43/04/356984304.db2.gz SLCYUAVHFQDQKM-UHFFFAOYSA-N 1 0 204.277 0.951 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H]2OCC[C@H]2C1 ZINC000369676432 356991658 /nfs/dbraw/zinc/99/16/58/356991658.db2.gz PJWDUFINFFDWKW-GRYCIOLGSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCN(C2CCC2)C1=O ZINC000639864978 356955491 /nfs/dbraw/zinc/95/54/91/356955491.db2.gz LQWGFVASVXQQES-KOLCDFICSA-N 1 0 224.304 0.276 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@H]1Nc1cnc(C#N)cn1 ZINC000389730105 357021876 /nfs/dbraw/zinc/02/18/76/357021876.db2.gz OWABBNYBWOGKNY-WCBMZHEXSA-N 1 0 217.276 0.758 20 30 BCEDRO C=CCCCC[N@H+]1CCN(C)C[C@@H]1CO ZINC000639867928 357001931 /nfs/dbraw/zinc/00/19/31/357001931.db2.gz QTNUGKMZHLMRCC-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C=CCCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000390209599 357085811 /nfs/dbraw/zinc/08/58/11/357085811.db2.gz XEUQWITVFRUTLM-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO C[C@@H](CO)[C@@H](C)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000358805294 134192787 /nfs/dbraw/zinc/19/27/87/134192787.db2.gz HMMXCLRARIRANW-AXFHLTTASA-N 1 0 241.335 0.353 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)COC1(C)C[NH2+]C1 ZINC000168755906 357218872 /nfs/dbraw/zinc/21/88/72/357218872.db2.gz MZDTUSLMOUSDIJ-VIFPVBQESA-N 1 0 225.292 0.125 20 30 BCEDRO C=C(Cl)CN1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000169168804 357263473 /nfs/dbraw/zinc/26/34/73/357263473.db2.gz HMGASIUOEINCEW-BDAKNGLRSA-N 1 0 204.701 0.787 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@]1([NH+](C)C)CCSC1 ZINC000359671786 134196630 /nfs/dbraw/zinc/19/66/30/134196630.db2.gz AELCTDPXABBUFB-MWLCHTKSSA-N 1 0 241.360 0.700 20 30 BCEDRO N#CCC[C@@H](C#N)C[NH2+][C@H]1[C@@H]2COC[C@@H]21 ZINC000582721695 357371288 /nfs/dbraw/zinc/37/12/88/357371288.db2.gz YRLOUWNBTAKWBH-UKKRHICBSA-N 1 0 205.261 0.664 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCSC1 ZINC000582840742 357412900 /nfs/dbraw/zinc/41/29/00/357412900.db2.gz JBZHCDHGXIXFNZ-MNOVXSKESA-N 1 0 243.376 0.288 20 30 BCEDRO CC[C@H](C(N)=O)[NH+]1CCC(CC#N)CC1 ZINC000397181008 357508176 /nfs/dbraw/zinc/50/81/76/357508176.db2.gz HVBIJEQLTGGXPO-SNVBAGLBSA-N 1 0 209.293 0.876 20 30 BCEDRO CC[N@H+](CCC#N)CC[C@H]1CCNC1=O ZINC000395841145 357456937 /nfs/dbraw/zinc/45/69/37/357456937.db2.gz HYXHSIMEDXCMTF-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@@H](CC#N)[N@H+](C)CC[C@H]1CCNC1=O ZINC000395868351 357458076 /nfs/dbraw/zinc/45/80/76/357458076.db2.gz WUDCTMSGOCTRAI-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO CC#CCCNC(=O)NCC[N@H+](CC)CCO ZINC000361639480 134206877 /nfs/dbraw/zinc/20/68/77/134206877.db2.gz OVWCQWKTISHQGA-UHFFFAOYSA-N 1 0 241.335 0.013 20 30 BCEDRO CO/N=C/C(=O)N1CCC([NH+]2CCCC2)CC1 ZINC000367389876 134208087 /nfs/dbraw/zinc/20/80/87/134208087.db2.gz XQAOQEHZIWIMOG-JLHYYAGUSA-N 1 0 239.319 0.705 20 30 BCEDRO Cn1cc(C[NH2+]CCCn2ccnn2)cc1C#N ZINC000189597355 357644715 /nfs/dbraw/zinc/64/47/15/357644715.db2.gz YHDZOVDBHZJTLC-UHFFFAOYSA-N 1 0 244.302 0.668 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC2(C1)CCOCC2 ZINC000362436416 134210902 /nfs/dbraw/zinc/21/09/02/134210902.db2.gz GBQSNSPTUUYCJK-UHFFFAOYSA-N 1 0 237.303 0.129 20 30 BCEDRO CC(C)(C#N)CCCC[NH+]1C[C@@H](O)[C@H](O)C1 ZINC000232530265 357664514 /nfs/dbraw/zinc/66/45/14/357664514.db2.gz RHRQPHRNRWAWML-GHMZBOCLSA-N 1 0 226.320 0.744 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@@H]1C(=O)N[C@@H]1CCC[C@H]1C#N ZINC000362876003 134214582 /nfs/dbraw/zinc/21/45/82/134214582.db2.gz OBOCXRPKXISZIZ-NOOOWODRSA-N 1 0 235.331 0.993 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCCN(C)C(=O)C1 ZINC000191081711 357748508 /nfs/dbraw/zinc/74/85/08/357748508.db2.gz DUTUVBUCYFJEBA-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=CC[N@@H+](CCOC)C[C@H](O)COCC ZINC000191118711 357752015 /nfs/dbraw/zinc/75/20/15/357752015.db2.gz ODVZUYCWMQSYCB-NSHDSACASA-N 1 0 217.309 0.518 20 30 BCEDRO CO/N=C/C(=O)N1CCC[N@@H+]2CCC[C@@H]2C1 ZINC000368565849 134219475 /nfs/dbraw/zinc/21/94/75/134219475.db2.gz GBUYYPLVGQCUNW-ZDIKFAODSA-N 1 0 225.292 0.315 20 30 BCEDRO C#CCCNC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000367928438 134216925 /nfs/dbraw/zinc/21/69/25/134216925.db2.gz RQWBCWWPIKSYJM-ZDUSSCGKSA-N 1 0 235.331 0.747 20 30 BCEDRO CC(C)[NH+]1CCN(CCCN(C)CC#N)CC1 ZINC000191476351 357773386 /nfs/dbraw/zinc/77/33/86/357773386.db2.gz JZYMSXJGILWSCV-UHFFFAOYSA-N 1 0 238.379 0.858 20 30 BCEDRO C=CCN(CCOC)C(=O)C[N@H+](C)C(C)C ZINC000191961541 357807105 /nfs/dbraw/zinc/80/71/05/357807105.db2.gz MSCQIRYTHONPFT-UHFFFAOYSA-N 1 0 228.336 0.988 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CN1CCOCC1 ZINC000369810424 134223359 /nfs/dbraw/zinc/22/33/59/134223359.db2.gz KTOFYKXLYYJTJH-GFCCVEGCSA-N 1 0 210.321 0.969 20 30 BCEDRO CO[C@@H]1C[C@@H]([NH2+]CC(=O)NCC#N)C1(C)C ZINC000234837228 357827961 /nfs/dbraw/zinc/82/79/61/357827961.db2.gz GQPUDDKIEZWPNF-RKDXNWHRSA-N 1 0 225.292 0.029 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C1CC[NH+](C)CC1 ZINC000545991513 325254903 /nfs/dbraw/zinc/25/49/03/325254903.db2.gz UKPUWFHEBWQYJI-NSHDSACASA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@]1(C)CCO[C@@H]1C ZINC000235516469 357874008 /nfs/dbraw/zinc/87/40/08/357874008.db2.gz UGXOQLZQRSAIQP-HOSYDEDBSA-N 1 0 226.320 0.834 20 30 BCEDRO CC#CCC[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000372079153 134230401 /nfs/dbraw/zinc/23/04/01/134230401.db2.gz WVSOJDGFSNCNGW-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO C[C@H](C#N)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372554270 134231908 /nfs/dbraw/zinc/23/19/08/134231908.db2.gz PEIBVTAVPRXONB-LLVKDONJSA-N 1 0 225.336 0.677 20 30 BCEDRO C[C@@H](C#N)N1CCC[N@H+](CC(C)(C)O)CC1 ZINC000372554271 134232115 /nfs/dbraw/zinc/23/21/15/134232115.db2.gz PEIBVTAVPRXONB-NSHDSACASA-N 1 0 225.336 0.677 20 30 BCEDRO C=CCC[N@@H+](C)C1CCN(S(C)(=O)=O)CC1 ZINC000121665978 134234846 /nfs/dbraw/zinc/23/48/46/134234846.db2.gz HPDJKQAKIASFGN-UHFFFAOYSA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCC[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639942060 357962196 /nfs/dbraw/zinc/96/21/96/357962196.db2.gz DFGMLRJEWXSERH-RYUDHWBXSA-N 1 0 222.288 0.547 20 30 BCEDRO CC#CC[N@H+](CCO)CCOCC(F)(F)F ZINC000304332158 134237197 /nfs/dbraw/zinc/23/71/97/134237197.db2.gz RLYHVKPUHPXEPU-UHFFFAOYSA-N 1 0 239.237 0.883 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](OC)CC1 ZINC000374678769 134237928 /nfs/dbraw/zinc/23/79/28/134237928.db2.gz MJZWGAHIITXWPP-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C(C)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639948663 357972276 /nfs/dbraw/zinc/97/22/76/357972276.db2.gz CSVOZTSOMZRIMF-VXGBXAGGSA-N 1 0 222.288 0.547 20 30 BCEDRO C=CCCC[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000639954518 357972856 /nfs/dbraw/zinc/97/28/56/357972856.db2.gz SYKVLPHLYHMNRW-STQMWFEESA-N 1 0 236.315 0.937 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)[C@H](C)[NH+](C)C ZINC000610541563 357979273 /nfs/dbraw/zinc/97/92/73/357979273.db2.gz HYTULMPGSDEVTE-UWVGGRQHSA-N 1 0 211.309 0.945 20 30 BCEDRO CC[C@H](C[NH2+]C[C@H](O)CN(C)CCC#N)OC ZINC000584465696 357992611 /nfs/dbraw/zinc/99/26/11/357992611.db2.gz XITXWIGJSSCQAC-NWDGAFQWSA-N 1 0 243.351 0.207 20 30 BCEDRO CN(CCC#N)C(=O)c1ccn(CC[NH+](C)C)n1 ZINC000584478470 357995881 /nfs/dbraw/zinc/99/58/81/357995881.db2.gz SOBMOHMUHXVDTB-UHFFFAOYSA-N 1 0 249.318 0.430 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCNC(=O)[C@H]1CCC ZINC000305710055 134242132 /nfs/dbraw/zinc/24/21/32/134242132.db2.gz DWQLPOPAAOYERM-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO CO/N=C/C(=O)N1C[C@@H]([NH+]2CCCC2)C[C@H]1C ZINC000376408002 134242232 /nfs/dbraw/zinc/24/22/32/134242232.db2.gz NYMRRQJXATVWKZ-LBSFFPRJSA-N 1 0 239.319 0.704 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H](CCO)c1ccccc1 ZINC000305783353 134242959 /nfs/dbraw/zinc/24/29/59/134242959.db2.gz WDYSKKSUPRRCCX-LBPRGKRZSA-N 1 0 247.298 0.339 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C[C@H]1CCCO1 ZINC000392756692 259476280 /nfs/dbraw/zinc/47/62/80/259476280.db2.gz IINCGOSKCGFYAG-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCN1CCOCC1 ZINC000036679796 358050074 /nfs/dbraw/zinc/05/00/74/358050074.db2.gz JSVHYPHTOBLHLN-LLVKDONJSA-N 1 0 211.309 0.600 20 30 BCEDRO N#Cc1csc(C[N@H+]2C[C@@H](O)C[C@@H]2CO)c1 ZINC000350322741 358053965 /nfs/dbraw/zinc/05/39/65/358053965.db2.gz UUECFIOLZUDSMN-ZJUUUORDSA-N 1 0 238.312 0.547 20 30 BCEDRO CC#CC[NH+]1CCC(CCO)(CCO)CC1 ZINC000640010455 358076388 /nfs/dbraw/zinc/07/63/88/358076388.db2.gz GLALTCITUGHVFZ-UHFFFAOYSA-N 1 0 225.332 0.857 20 30 BCEDRO Cc1nccc(CNC(=[NH2+])NCC2CCC2)n1 ZINC000170909380 134255089 /nfs/dbraw/zinc/25/50/89/134255089.db2.gz JJBVFJQQQZAJMP-UHFFFAOYSA-N 1 0 233.319 0.989 20 30 BCEDRO CNC(NCc1cccc(CO)c1)=[NH+]C ZINC000171539944 134258789 /nfs/dbraw/zinc/25/87/89/134258789.db2.gz FFPUIENFBWXFDI-UHFFFAOYSA-N 1 0 207.277 0.474 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H](C)[C@H](C)CO ZINC000450732511 202248511 /nfs/dbraw/zinc/24/85/11/202248511.db2.gz ICSJYTGFJMKLPS-MXWKQRLJSA-N 1 0 201.310 0.920 20 30 BCEDRO CCNC(=[NH2+])NC[C@H](O)c1ccc(F)cc1 ZINC000264068699 535423253 /nfs/dbraw/zinc/42/32/53/535423253.db2.gz CIIXERCCSVXAOO-JTQLQIEISA-N 1 0 225.267 0.783 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)C1(C#N)CCC1 ZINC000134934188 325383408 /nfs/dbraw/zinc/38/34/08/325383408.db2.gz UYCMEDDXZRDOJA-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO CC#CCNC(=O)NC1CC[NH+](C2CC2)CC1 ZINC000134993230 325387288 /nfs/dbraw/zinc/38/72/88/325387288.db2.gz JIGFTMOSIYMJGD-UHFFFAOYSA-N 1 0 235.331 0.936 20 30 BCEDRO CCNC(=[NH2+])NCc1cccc(C(=O)NC)c1 ZINC000264121645 535424359 /nfs/dbraw/zinc/42/43/59/535424359.db2.gz VDZGOKJNSCYYOE-UHFFFAOYSA-N 1 0 234.303 0.470 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H]2C[N@@H+](C)C[C@H]21 ZINC000425056424 358515728 /nfs/dbraw/zinc/51/57/28/358515728.db2.gz KISYEXKQMAZVMX-NWDGAFQWSA-N 1 0 238.331 0.742 20 30 BCEDRO COC[C@@](C)(CCO)[NH2+]Cc1ccnc(C#N)c1 ZINC000610994793 358422764 /nfs/dbraw/zinc/42/27/64/358422764.db2.gz REYSNTRMVFUEKY-CYBMUJFWSA-N 1 0 249.314 0.830 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418419052 358432612 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/nfs/dbraw/zinc/52/42/57/358524257.db2.gz AMUNXPWEGHYDDI-UHFFFAOYSA-N 1 0 227.308 0.327 20 30 BCEDRO CC#CC[N@@H+]1CCCN(Cc2noc(C)n2)CC1 ZINC000125111974 358534100 /nfs/dbraw/zinc/53/41/00/358534100.db2.gz ACPZSZPMOVXJMJ-UHFFFAOYSA-N 1 0 248.330 0.909 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CC[C@H](O)[C@@H]2C1 ZINC000125231928 358535800 /nfs/dbraw/zinc/53/58/00/358535800.db2.gz MUCFKBMLKPZQMY-YFKTTZPYSA-N 1 0 238.331 0.380 20 30 BCEDRO CC#CCN1CCC([N@@H+]2CCC[C@H]2C(N)=O)CC1 ZINC000131296888 358668205 /nfs/dbraw/zinc/66/82/05/358668205.db2.gz IVZGHRBRFWIULV-ZDUSSCGKSA-N 1 0 249.358 0.424 20 30 BCEDRO CC[N@H+](CCO)CC(=O)N[C@@](C)(C#N)C(C)C ZINC000049754419 358700122 /nfs/dbraw/zinc/70/01/22/358700122.db2.gz VBAHCTGOKHPQAL-LBPRGKRZSA-N 1 0 241.335 0.355 20 30 BCEDRO C[C@H](O)C[N@H+](C)CCC(=O)N(C)CCC#N ZINC000051819953 358764531 /nfs/dbraw/zinc/76/45/31/358764531.db2.gz PKDMAYNAQRJMQQ-JTQLQIEISA-N 1 0 227.308 0.061 20 30 BCEDRO C[N@H+](CC[C@H]1CCNC1=O)CC(C)(C)C#N ZINC000578245354 366469577 /nfs/dbraw/zinc/46/95/77/366469577.db2.gz LVIYWAMLBVQKFC-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO C#CC[N@H+]1CCCC[C@H](N2CCN(C)CC2)C1 ZINC000136068719 358862255 /nfs/dbraw/zinc/86/22/55/358862255.db2.gz VHKWHMBGVJFISM-AWEZNQCLSA-N 1 0 235.375 0.722 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000136197267 358867335 /nfs/dbraw/zinc/86/73/35/358867335.db2.gz DKHBPJGDGVDWJQ-PWSUYJOCSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC[NH+]1CCCCC1 ZINC000180484533 366479794 /nfs/dbraw/zinc/47/97/94/366479794.db2.gz HMMCVTWJFKARFQ-LLVKDONJSA-N 1 0 238.335 0.931 20 30 BCEDRO N#CCN1CCC[C@H](C[NH+]2CCOCC2)C1 ZINC000069804780 359033886 /nfs/dbraw/zinc/03/38/86/359033886.db2.gz MJJQSAHISMRORJ-LBPRGKRZSA-N 1 0 223.320 0.554 20 30 BCEDRO CCN(CC#N)C(=O)[C@H]1CCCC[N@@H+]1C ZINC000611213577 359124143 /nfs/dbraw/zinc/12/41/43/359124143.db2.gz CTPRTVYPBNVSQT-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO Cn1nnnc1CC[NH2+]CC(C)(C)CCC#N ZINC000611314613 359311796 /nfs/dbraw/zinc/31/17/96/359311796.db2.gz RZESJBVPLZMLNZ-UHFFFAOYSA-N 1 0 236.323 0.672 20 30 BCEDRO CC(C)[C@H](C#N)N1CC[NH+](C[C@H](C)CO)CC1 ZINC000611431797 359364097 /nfs/dbraw/zinc/36/40/97/359364097.db2.gz BCQFMVVOWOQXCZ-STQMWFEESA-N 1 0 239.363 0.781 20 30 BCEDRO C=CCCCCC[N@H+]1CC[C@@](O)(C(N)=O)C1 ZINC000285033091 359320841 /nfs/dbraw/zinc/32/08/41/359320841.db2.gz NEGMEIICJMCZLG-LBPRGKRZSA-N 1 0 226.320 0.655 20 30 BCEDRO C[NH+](C)CCOCCNc1cccc(C#N)n1 ZINC000231208244 359465784 /nfs/dbraw/zinc/46/57/84/359465784.db2.gz UMVPCGPWCDDXKR-UHFFFAOYSA-N 1 0 234.303 0.943 20 30 BCEDRO C#CCN(C(=O)[C@@H]1CCC[N@H+]1C)C1CC1 ZINC000274107784 359511343 /nfs/dbraw/zinc/51/13/43/359511343.db2.gz QFDSQHOCVOBNCX-NSHDSACASA-N 1 0 206.289 0.705 20 30 BCEDRO COc1ccc(C#N)cc1C[NH2+]C(CO)CO ZINC000130344786 359596798 /nfs/dbraw/zinc/59/67/98/359596798.db2.gz LGDDGMKUQOLVEH-UHFFFAOYSA-N 1 0 236.271 0.010 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000612304391 359778135 /nfs/dbraw/zinc/77/81/35/359778135.db2.gz OSSKBMNOTOSQCH-XWIASGKRSA-N 1 0 238.331 0.522 20 30 BCEDRO N#CCCCNC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000612380128 359823557 /nfs/dbraw/zinc/82/35/57/359823557.db2.gz GIYQDKMOTZREGW-LBPRGKRZSA-N 1 0 248.330 0.946 20 30 BCEDRO C[C@H](C(=O)NCC#N)[NH+]1[C@H](C)CC[C@H]1C ZINC000245704395 325524125 /nfs/dbraw/zinc/52/41/25/325524125.db2.gz YEPYVLHBUYNSNL-OPRDCNLKSA-N 1 0 209.293 0.887 20 30 BCEDRO C[C@@H]1C[N@H+](CCO)CCN1c1ccc(C#N)nc1 ZINC000450952750 202319605 /nfs/dbraw/zinc/31/96/05/202319605.db2.gz IXZCISYYZNZDSP-LLVKDONJSA-N 1 0 246.314 0.456 20 30 BCEDRO N#CCC[C@H](C#N)C[NH2+]C[C@H]1CC[C@@H](CO)O1 ZINC000578507626 366583417 /nfs/dbraw/zinc/58/34/17/366583417.db2.gz YESBJWBWBDZBDW-UTUOFQBUSA-N 1 0 237.303 0.559 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CC)CCC[NH+](C)C ZINC000613862055 363671166 /nfs/dbraw/zinc/67/11/66/363671166.db2.gz VDGNGDLHZGGGPG-SNVBAGLBSA-N 1 0 214.309 0.334 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H](F)C1 ZINC000451179745 202369182 /nfs/dbraw/zinc/36/91/82/202369182.db2.gz BDIYGHOOXSMSKP-IUCAKERBSA-N 1 0 200.257 0.721 20 30 BCEDRO C=CCOCCC[N@@H+](C)C(C)(C)C(N)=O ZINC000451133278 202362906 /nfs/dbraw/zinc/36/29/06/202362906.db2.gz BPHXDUNRTQGWSU-UHFFFAOYSA-N 1 0 214.309 0.775 20 30 BCEDRO CC[C@H](C[NH+]1CCCC1)NC(=O)CC#N ZINC000613958942 363691753 /nfs/dbraw/zinc/69/17/53/363691753.db2.gz HZAKTUIGXCDZFV-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@@H](F)C1 ZINC000451185351 202371518 /nfs/dbraw/zinc/37/15/18/202371518.db2.gz LOCCXEYSJTWEAZ-DTWKUNHWSA-N 1 0 243.282 0.431 20 30 BCEDRO C[N@H+](CCOCCC#N)CC(C)(C)CO ZINC000451249167 202386253 /nfs/dbraw/zinc/38/62/53/202386253.db2.gz DOHYQNYPTJVUEF-UHFFFAOYSA-N 1 0 214.309 0.867 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCOC[C@@H](O)C1 ZINC000451225632 202381861 /nfs/dbraw/zinc/38/18/61/202381861.db2.gz GVDVPVYDHWRSQM-QWRGUYRKSA-N 1 0 215.293 0.007 20 30 BCEDRO Cc1cc(C[NH2+][C@@H]2COC[C@H]2O)ccc1C#N ZINC000451233210 202383811 /nfs/dbraw/zinc/38/38/11/202383811.db2.gz XAMIBKUBUSPFSO-CHWSQXEVSA-N 1 0 232.283 0.716 20 30 BCEDRO CN(CCOCCO)Cc1ccc(C#N)cn1 ZINC000578545297 366596250 /nfs/dbraw/zinc/59/62/50/366596250.db2.gz LXRKHMVMRHGJDM-UHFFFAOYSA-N 1 0 235.287 0.394 20 30 BCEDRO N#Cc1ncn(Cc2ccc3c(c2)C[NH2+]CC3)n1 ZINC000578753482 366639491 /nfs/dbraw/zinc/63/94/91/366639491.db2.gz XWVLGOQQMJLGFT-UHFFFAOYSA-N 1 0 239.282 0.844 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@@H]2C[N@H+](C)CC[C@@H]21 ZINC000612649921 359971507 /nfs/dbraw/zinc/97/15/07/359971507.db2.gz OOGVHZBCXDUNDK-WOPDTQHZSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCOCCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612930682 360202037 /nfs/dbraw/zinc/20/20/37/360202037.db2.gz QOPQXYWSECFBMI-GFCCVEGCSA-N 1 0 241.335 0.630 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1CC12CC[NH2+]CC2 ZINC000612981426 360224604 /nfs/dbraw/zinc/22/46/04/360224604.db2.gz ARSGSQMKTHRRQB-LLVKDONJSA-N 1 0 235.331 0.793 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614033620 363711150 /nfs/dbraw/zinc/71/11/50/363711150.db2.gz NWNXZEPYKVDPPS-LLVKDONJSA-N 1 0 224.304 0.088 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000613128590 360397935 /nfs/dbraw/zinc/39/79/35/360397935.db2.gz HJNPYOVESFTHTC-PWSUYJOCSA-N 1 0 240.347 0.722 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[N@@H+](C)CC1(C)C ZINC000613168116 360470729 /nfs/dbraw/zinc/47/07/29/360470729.db2.gz CBOSUPRICXOPLZ-SECBINFHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1(CO)CCCCC1 ZINC000309594620 491152820 /nfs/dbraw/zinc/15/28/20/491152820.db2.gz UCSHFYSSWJNUNS-UHFFFAOYSA-N 1 0 226.320 0.573 20 30 BCEDRO C=CCCOCCNC(=O)N[C@@H]1CCC[NH2+]C1 ZINC000417967285 200824346 /nfs/dbraw/zinc/82/43/46/200824346.db2.gz VDWAADMONMHLCY-LLVKDONJSA-N 1 0 241.335 0.630 20 30 BCEDRO COCC[C@H](C)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424112757 200862299 /nfs/dbraw/zinc/86/22/99/200862299.db2.gz KSQKSRYCXZJCOT-VHSXEESVSA-N 1 0 227.308 0.549 20 30 BCEDRO C=CCCn1cc(C(=O)NC[C@@H]2CC[NH2+]C2)nn1 ZINC000424152752 200867981 /nfs/dbraw/zinc/86/79/81/200867981.db2.gz KERXJPLFCOEZHH-SNVBAGLBSA-N 1 0 249.318 0.194 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000424179344 200876489 /nfs/dbraw/zinc/87/64/89/200876489.db2.gz STRNIFFVGZPVAH-ZDCRXTMVSA-N 1 0 226.320 0.820 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC(C)(C)[NH3+] ZINC000424483073 200929575 /nfs/dbraw/zinc/92/95/75/200929575.db2.gz WPXULNIOLLYLQS-UWVGGRQHSA-N 1 0 241.335 0.614 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCCC[NH3+] ZINC000424473031 200928924 /nfs/dbraw/zinc/92/89/24/200928924.db2.gz GPRHYSFFBOKWFX-QWRGUYRKSA-N 1 0 241.335 0.616 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H]2C[C@]2(O)C1 ZINC000640474027 361244372 /nfs/dbraw/zinc/24/43/72/361244372.db2.gz NRVRGPHZHFRNQN-AAEUAGOBSA-N 1 0 238.331 0.478 20 30 BCEDRO CO[C@@H]1COC[C@H]1[NH2+]CCC(C)(C)C#N ZINC000579234225 366740405 /nfs/dbraw/zinc/74/04/05/366740405.db2.gz SRAOHMQVYOUAEI-NXEZZACHSA-N 1 0 212.293 0.930 20 30 BCEDRO C=CCOCC(=O)NCC1([NH3+])CCCCC1 ZINC000428490591 201024726 /nfs/dbraw/zinc/02/47/26/201024726.db2.gz ZMGVUBCNUJECTK-UHFFFAOYSA-N 1 0 226.320 0.967 20 30 BCEDRO C=CCOCC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000428943512 201051528 /nfs/dbraw/zinc/05/15/28/201051528.db2.gz PNEPPIAOYNNHBP-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCCC[N@@H+](C)[C@H]1CCN(S(C)(=O)=O)C1 ZINC000428786474 201041869 /nfs/dbraw/zinc/04/18/69/201041869.db2.gz NOGFVFVCWMKSRX-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C=CCOCC(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000429108567 201068212 /nfs/dbraw/zinc/06/82/12/201068212.db2.gz VLERPZUQWMTIAJ-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C[NH+](C)CCNC(=O)c1cc(O)cc(C#N)c1 ZINC000614357264 363790641 /nfs/dbraw/zinc/79/06/41/363790641.db2.gz SINOEOKGIYRXGV-UHFFFAOYSA-N 1 0 233.271 0.555 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC[C@H](O)C[C@@H]2C)C1=O ZINC000429169507 201076207 /nfs/dbraw/zinc/07/62/07/201076207.db2.gz UJKIKWWCPGVVSA-SRVKXCTJSA-N 1 0 238.331 0.619 20 30 BCEDRO COCCC[NH+]1CCC(NCCC#N)CC1 ZINC000579343877 366762681 /nfs/dbraw/zinc/76/26/81/366762681.db2.gz NINKSDRAYHOSOA-UHFFFAOYSA-N 1 0 225.336 0.991 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@H]1Cc2cccc(O)c2C1 ZINC000429298213 201099201 /nfs/dbraw/zinc/09/92/01/201099201.db2.gz DUCPRLJTRJVOSG-JTQLQIEISA-N 1 0 245.282 0.089 20 30 BCEDRO COCCN1CC[NH+]([C@@H]2CC[C@H](C#N)C2)CC1 ZINC000429711652 201127249 /nfs/dbraw/zinc/12/72/49/201127249.db2.gz QKXAGACSJGDSER-QWHCGFSZSA-N 1 0 237.347 0.943 20 30 BCEDRO C[N@@H+]1CCC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000181287779 366801772 /nfs/dbraw/zinc/80/17/72/366801772.db2.gz BDLLLOKXSMXRBH-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@@H](C)C(=O)OC ZINC000429706624 201130535 /nfs/dbraw/zinc/13/05/35/201130535.db2.gz GSTLEZXDVUGXJZ-NSHDSACASA-N 1 0 228.336 0.988 20 30 BCEDRO C=CC[C@@H]1CC[N@H+](C[C@H]2CNCCO2)C1 ZINC000629551837 361443577 /nfs/dbraw/zinc/44/35/77/361443577.db2.gz XIDVJPXNCDCKJY-VXGBXAGGSA-N 1 0 210.321 0.873 20 30 BCEDRO C[C@@H](CN1CCOCC1)[N@H+](C)CCCC#N ZINC000434698844 201233391 /nfs/dbraw/zinc/23/33/91/201233391.db2.gz WWJNQNVXPJVJND-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C[C@H](CN1CCOCC1)[N@H+](C)CCCC#N ZINC000434698843 201233707 /nfs/dbraw/zinc/23/37/07/201233707.db2.gz WWJNQNVXPJVJND-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO COCC#CC[NH2+][C@H](COC)[C@H]1CCCO1 ZINC000309986784 491159391 /nfs/dbraw/zinc/15/93/91/491159391.db2.gz YRRILDRPOZMVOE-VXGBXAGGSA-N 1 0 227.304 0.420 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@H]1CCC[N@H+](C)[C@@H]1C ZINC000435438372 201270997 /nfs/dbraw/zinc/27/09/97/201270997.db2.gz PGKXJKFXYNGICR-MNOVXSKESA-N 1 0 246.376 0.965 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000435429497 201272159 /nfs/dbraw/zinc/27/21/59/201272159.db2.gz XEDXUIQXFKQUJN-JTQLQIEISA-N 1 0 244.360 0.719 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)NCC[NH+](C)C ZINC000448564638 201287097 /nfs/dbraw/zinc/28/70/97/201287097.db2.gz RHBJNDDFBKMTEH-UHFFFAOYSA-N 1 0 220.276 0.188 20 30 BCEDRO C=CCC[NH2+]Cc1cn(C[C@@H]2CCOC2)nn1 ZINC000631173269 361706456 /nfs/dbraw/zinc/70/64/56/361706456.db2.gz PDMRWXMRFYZHHS-NSHDSACASA-N 1 0 236.319 0.980 20 30 BCEDRO CC#CCCN1CCO[C@@H](C(=O)OC)C1 ZINC000155400398 201332440 /nfs/dbraw/zinc/33/24/40/201332440.db2.gz GQYBLFTUDPITCR-SNVBAGLBSA-N 1 0 211.261 0.274 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@H](O)C[C@H](C)C2)C1=O ZINC000452072539 202525840 /nfs/dbraw/zinc/52/58/40/202525840.db2.gz VFQWCVSSNBIRCR-TUAOUCFPSA-N 1 0 238.331 0.476 20 30 BCEDRO C=C[C@H](O)C(=O)N(CCC)CC[NH+]1CCCC1 ZINC000614715441 363937822 /nfs/dbraw/zinc/93/78/22/363937822.db2.gz CONFBLKKXOVCQD-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO O=C(NCC[NH+]1CCC1)NC[C@H]1CCCO1 ZINC000328658488 541305773 /nfs/dbraw/zinc/30/57/73/541305773.db2.gz RDBMCWDYVYGNMH-SNVBAGLBSA-N 1 0 227.308 0.375 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)C1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000614729821 363949951 /nfs/dbraw/zinc/94/99/51/363949951.db2.gz UIFHDJDHYHSKHO-MBYGNEARSA-N 1 0 238.331 0.617 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[C@H](C[NH+](C)C)C1 ZINC000619718083 363917375 /nfs/dbraw/zinc/91/73/75/363917375.db2.gz WBNDCBSMNQDVGQ-MNOVXSKESA-N 1 0 226.320 0.598 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@H](C[NH+](C)C)C1 ZINC000619718082 363917470 /nfs/dbraw/zinc/91/74/70/363917470.db2.gz WBNDCBSMNQDVGQ-GHMZBOCLSA-N 1 0 226.320 0.598 20 30 BCEDRO C=CCN1CC[C@@H](n2ccnc2C[NH3+])C1=O ZINC000630583507 364286615 /nfs/dbraw/zinc/28/66/15/364286615.db2.gz GYRVDRQTZGAGTO-SECBINFHSA-N 1 0 220.276 0.301 20 30 BCEDRO CC#CCNCc1cn(CC[NH+]2CCCC2)nn1 ZINC000630618234 364354097 /nfs/dbraw/zinc/35/40/97/364354097.db2.gz RVCYRWDUBPSQTC-UHFFFAOYSA-N 1 0 247.346 0.487 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](C)C[N@@H+](CC)CCC ZINC000615066345 364447709 /nfs/dbraw/zinc/44/77/09/364447709.db2.gz AAPCFRFWSJOKGJ-QWRGUYRKSA-N 1 0 228.336 0.770 20 30 BCEDRO Cc1nc(C(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)ccc1C#N ZINC000579487996 366829204 /nfs/dbraw/zinc/82/92/04/366829204.db2.gz VRTKODSSUDDKGN-IAZYJMLFSA-N 1 0 242.282 0.209 20 30 BCEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)CN(C)C ZINC000134919659 364418098 /nfs/dbraw/zinc/41/80/98/364418098.db2.gz MSYBUCUGMLHUSQ-WDEREUQCSA-N 1 0 200.326 0.853 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC[C@@H](O)C[N@@H+](C)CC ZINC000579489992 366830734 /nfs/dbraw/zinc/83/07/34/366830734.db2.gz JVQVSERFFVHPOS-UTUOFQBUSA-N 1 0 228.336 0.232 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NC[C@H](C)[NH+](C)C ZINC000136231009 364466724 /nfs/dbraw/zinc/46/67/24/364466724.db2.gz SHYWCBPTJNSXTH-ONGXEEELSA-N 1 0 211.309 0.993 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2COC[C@H]2O)c1 ZINC000037749261 364570610 /nfs/dbraw/zinc/57/06/10/364570610.db2.gz RZPPJJNJNUNPRB-NWDGAFQWSA-N 1 0 218.256 0.408 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000615303684 364682381 /nfs/dbraw/zinc/68/23/81/364682381.db2.gz UTVCKCFQRYPGFJ-AEJSXWLSSA-N 1 0 212.293 0.084 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000615318901 364690095 /nfs/dbraw/zinc/69/00/95/364690095.db2.gz MNRLTTUVHICNED-FOGDFJRCSA-N 1 0 226.320 0.474 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)[C@@H](C)OC ZINC000290675775 364770105 /nfs/dbraw/zinc/77/01/05/364770105.db2.gz ZDLHZMOITDQYHR-OPRDCNLKSA-N 1 0 212.293 0.137 20 30 BCEDRO Cc1nsc(NC(=O)NC2C[NH2+]C2)c1C#N ZINC000573342148 364806072 /nfs/dbraw/zinc/80/60/72/364806072.db2.gz UNDPLVAPWGJCGJ-UHFFFAOYSA-N 1 0 237.288 0.417 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCOC1(C)C ZINC000295356584 364780795 /nfs/dbraw/zinc/78/07/95/364780795.db2.gz YWAVZAHGAANKLO-NXEZZACHSA-N 1 0 224.304 0.281 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CC[C@H](CO)[C@@H](O)C2)c1 ZINC000573521908 364852684 /nfs/dbraw/zinc/85/26/84/364852684.db2.gz SVCDYWBPDLAJMA-KGLIPLIRSA-N 1 0 246.310 0.733 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCCS(=O)(=O)NC ZINC000573621663 364876686 /nfs/dbraw/zinc/87/66/86/364876686.db2.gz HAGPPPMVSTUINB-SECBINFHSA-N 1 0 233.337 0.208 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000573811852 364923028 /nfs/dbraw/zinc/92/30/28/364923028.db2.gz KSEACOXNBSRJID-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO COc1cc(C#N)ccc1C[NH2+]C(CO)CO ZINC000574581180 365095918 /nfs/dbraw/zinc/09/59/18/365095918.db2.gz CEMWZDDMYLSMSA-UHFFFAOYSA-N 1 0 236.271 0.010 20 30 BCEDRO C[C@@H]1COCCN1CC[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000442786590 192991184 /nfs/dbraw/zinc/99/11/84/192991184.db2.gz UDVJLZXDSRZJOM-UPJWGTAASA-N 1 0 237.347 0.989 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](C)C#N)CC1 ZINC000171846156 365248212 /nfs/dbraw/zinc/24/82/12/365248212.db2.gz BRALPQMEHUELNI-LLVKDONJSA-N 1 0 233.315 0.607 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN(C)C[C@H](C)C#N ZINC000379818792 365282003 /nfs/dbraw/zinc/28/20/03/365282003.db2.gz SOZOUENHGQUOHU-MNOVXSKESA-N 1 0 213.325 0.390 20 30 BCEDRO COc1ccc(C#N)cc1NC(=O)NC1C[NH2+]C1 ZINC000575850636 365384490 /nfs/dbraw/zinc/38/44/90/365384490.db2.gz FATPYGVDXYOWEC-UHFFFAOYSA-N 1 0 246.270 0.660 20 30 BCEDRO CC(C)(C#N)CC[NH+]1CC(C)(C(N)=O)C1 ZINC000575864943 365390957 /nfs/dbraw/zinc/39/09/57/365390957.db2.gz CDJHLKMCTBNZHY-UHFFFAOYSA-N 1 0 209.293 0.733 20 30 BCEDRO C=CCOCC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000575915645 365412309 /nfs/dbraw/zinc/41/23/09/365412309.db2.gz GFWMYPVSFWAMRX-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C[NH2+]CCN(C)C(=O)COc1ccc(C#N)cc1 ZINC000576049123 365464893 /nfs/dbraw/zinc/46/48/93/365464893.db2.gz NQQPVJNZKYIBON-UHFFFAOYSA-N 1 0 247.298 0.615 20 30 BCEDRO C[C@]1(C(N)=O)CC[N@H+](CCOCCC#N)C1 ZINC000339147048 365449879 /nfs/dbraw/zinc/44/98/79/365449879.db2.gz FERWQUPFJWJJRC-NSHDSACASA-N 1 0 225.292 0.114 20 30 BCEDRO C=CCOCC[N@H+](C)CCOCCO ZINC000339158578 365451936 /nfs/dbraw/zinc/45/19/36/365451936.db2.gz MZDGBKHUWWTQLQ-UHFFFAOYSA-N 1 0 203.282 0.130 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@@H]2C(=O)NC[C@H]21 ZINC000339154726 365452548 /nfs/dbraw/zinc/45/25/48/365452548.db2.gz LHDUCDVWFZRSPH-WDEREUQCSA-N 1 0 237.303 0.127 20 30 BCEDRO CC(C)COC[C@H](O)C[NH2+][C@H](C)CC#N ZINC000068610840 370817052 /nfs/dbraw/zinc/81/70/52/370817052.db2.gz AUPFGBDRYMINBT-GHMZBOCLSA-N 1 0 214.309 0.912 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000182645032 366925315 /nfs/dbraw/zinc/92/53/15/366925315.db2.gz VVAXPJAJVNPYJZ-UWVGGRQHSA-N 1 0 238.335 0.928 20 30 BCEDRO C[C@H](C#N)CNC(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000182652280 366927678 /nfs/dbraw/zinc/92/76/78/366927678.db2.gz KIKLVYGNGFNZFG-GHMZBOCLSA-N 1 0 238.335 0.787 20 30 BCEDRO COCCOC[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000564855660 325817755 /nfs/dbraw/zinc/81/77/55/325817755.db2.gz HDVUBODLTUYAJK-QJPTWQEYSA-N 1 0 242.319 0.292 20 30 BCEDRO C#CC[C@@H](C)NC(=O)[C@@H]1CCC[NH2+][C@@H]1C ZINC000368569830 367112631 /nfs/dbraw/zinc/11/26/31/367112631.db2.gz XZGULOCVOBYULP-GMTAPVOTSA-N 1 0 208.305 0.903 20 30 BCEDRO N#CCC[NH2+][C@@H]1CCC(=O)N[C@@H]1C1CC1 ZINC000580770283 367160009 /nfs/dbraw/zinc/16/00/09/367160009.db2.gz WPHSLFDFUYONBK-MWLCHTKSSA-N 1 0 207.277 0.547 20 30 BCEDRO Cc1nc(C(=O)N[C@H](C)CC[NH3+])ccc1C#N ZINC000580780831 367163974 /nfs/dbraw/zinc/16/39/74/367163974.db2.gz GDHMFTKFUSMZER-MRVPVSSYSA-N 1 0 232.287 0.729 20 30 BCEDRO CCN(C[C@@H](O)C[N@H+](C)CC)C[C@H](C)C#N ZINC000381089867 367350768 /nfs/dbraw/zinc/35/07/68/367350768.db2.gz UUQSPNHFJSWAEZ-NEPJUHHUSA-N 1 0 227.352 0.781 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000581185414 367287323 /nfs/dbraw/zinc/28/73/23/367287323.db2.gz FSJGWOMRBUVNOP-SDDRHHMPSA-N 1 0 238.331 0.821 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ocnc1C ZINC000383117428 367597481 /nfs/dbraw/zinc/59/74/81/367597481.db2.gz GLBPKGPHPKZQIE-UHFFFAOYSA-N 1 0 235.287 0.668 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@H](O)C[C@H]1C ZINC000384958743 367765287 /nfs/dbraw/zinc/76/52/87/367765287.db2.gz RHXMETOKUWNMPO-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO CC[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000375917280 370895724 /nfs/dbraw/zinc/89/57/24/370895724.db2.gz AZZWYIDMBLJESV-UHFFFAOYSA-N 1 0 205.265 0.807 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)Cc2nc[nH]n2)CC1 ZINC000630943039 368013150 /nfs/dbraw/zinc/01/31/50/368013150.db2.gz NAVAQXWHSWMUBM-UHFFFAOYSA-N 1 0 249.318 0.114 20 30 BCEDRO C[C@@H](C(=O)N1CC[C@@](F)(C#N)C1)[NH+](C)C ZINC000615823668 368458376 /nfs/dbraw/zinc/45/83/76/368458376.db2.gz VCHWWCJZHCGGDB-WCBMZHEXSA-N 1 0 213.256 0.401 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1C[C@H]2CC[N@@H+](C)[C@H]2C1 ZINC000615849571 368531193 /nfs/dbraw/zinc/53/11/93/368531193.db2.gz KHGHPLZQTWZGSH-SCVCMEIPSA-N 1 0 224.304 0.086 20 30 BCEDRO C#CCNC(=O)c1ccccc1OCC[NH+](C)C ZINC000060760204 368552004 /nfs/dbraw/zinc/55/20/04/368552004.db2.gz SRKWIRJDMCNDKV-UHFFFAOYSA-N 1 0 246.310 0.990 20 30 BCEDRO C=C[C@H](O)C(=O)NC(C)(C)CCC[NH+](C)C ZINC000615857858 368549555 /nfs/dbraw/zinc/54/95/55/368549555.db2.gz VXKKKLKDJUWIAJ-JTQLQIEISA-N 1 0 228.336 0.770 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(OC)cc1 ZINC000064615537 368608471 /nfs/dbraw/zinc/60/84/71/368608471.db2.gz ZBWMUPLMAXDTPO-UHFFFAOYSA-N 1 0 246.310 0.924 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N2CCO[C@@H](C#N)C2)C1 ZINC000259738553 370936589 /nfs/dbraw/zinc/93/65/89/370936589.db2.gz DQAVRXKEPVXFKU-QWRGUYRKSA-N 1 0 237.303 0.079 20 30 BCEDRO C=C[C@H](O)C(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000615958755 368787416 /nfs/dbraw/zinc/78/74/16/368787416.db2.gz OMFIZICVJLMMST-GYIHNLGQSA-N 1 0 224.304 0.275 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[N@@H+](CC)C[C@H]1CC ZINC000615961104 368794795 /nfs/dbraw/zinc/79/47/95/368794795.db2.gz PZEZGMWJADPHOZ-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000615984458 368855100 /nfs/dbraw/zinc/85/51/00/368855100.db2.gz LBDRHHIKEZLHGT-WCQYABFASA-N 1 0 240.347 0.866 20 30 BCEDRO CCO[C@H](C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000521604587 259537234 /nfs/dbraw/zinc/53/72/34/259537234.db2.gz LJDUOPIMZOCVHT-SNVBAGLBSA-N 1 0 239.319 0.516 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000618887473 369233904 /nfs/dbraw/zinc/23/39/04/369233904.db2.gz ZWKLUSCDKNMZGC-NXEZZACHSA-N 1 0 225.292 0.112 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H](C)C[NH+]1CCC(C)CC1 ZINC000618982505 369251900 /nfs/dbraw/zinc/25/19/00/369251900.db2.gz DOIMFTRMBPGZKL-NWDGAFQWSA-N 1 0 240.347 0.770 20 30 BCEDRO CC#CC[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000156426689 326232729 /nfs/dbraw/zinc/23/27/29/326232729.db2.gz OQZAJWXNNKAYFC-GFCCVEGCSA-N 1 0 208.305 0.810 20 30 BCEDRO C=C(C)CCNC(=O)NCC[N@H+](CC)CCO ZINC000458991087 203219174 /nfs/dbraw/zinc/21/91/74/203219174.db2.gz CBLLPSMZOZTSQI-UHFFFAOYSA-N 1 0 243.351 0.566 20 30 BCEDRO N#Cc1cncc(N2CCC[C@H]([NH3+])C2)n1 ZINC000401459115 369362383 /nfs/dbraw/zinc/36/23/83/369362383.db2.gz PEKCRVRTCPVBJG-QMMMGPOBSA-N 1 0 203.249 0.276 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1ncncc1C#N ZINC000302549515 369394246 /nfs/dbraw/zinc/39/42/46/369394246.db2.gz UKZQFKALRFXVHF-NSHDSACASA-N 1 0 235.291 0.073 20 30 BCEDRO N#CCC1(CN2CC[N@@H+]3C[C@H](O)C[C@H]3C2)CC1 ZINC000405239225 369449841 /nfs/dbraw/zinc/44/98/41/369449841.db2.gz GPCKECUJIJNKHN-NWDGAFQWSA-N 1 0 235.331 0.431 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@@H]([NH3+])C[C@@H]2C)C1=O ZINC000631862298 369504373 /nfs/dbraw/zinc/50/43/73/369504373.db2.gz NUULVFJLJOPOJF-DCAQKATOSA-N 1 0 223.320 0.195 20 30 BCEDRO CC[C@@H](C)N(CC#CCOC)CC(=O)OC ZINC000619622185 369497407 /nfs/dbraw/zinc/49/74/07/369497407.db2.gz MSXSSNCFBOYPIW-LLVKDONJSA-N 1 0 227.304 0.910 20 30 BCEDRO C=CCNC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000631000256 369536889 /nfs/dbraw/zinc/53/68/89/369536889.db2.gz QNDPFZCZTXJVGC-SNVBAGLBSA-N 1 0 211.309 0.812 20 30 BCEDRO C[N@H+](CCNc1ncncc1C#N)C1CC1 ZINC000304472766 369518998 /nfs/dbraw/zinc/51/89/98/369518998.db2.gz JBBSRCFUELUFIY-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO COC[C@H](O)C[N@H+](C)[C@H]1CCC[C@H]1C#N ZINC000250413926 369524633 /nfs/dbraw/zinc/52/46/33/369524633.db2.gz OGERUGOISBODGK-AXFHLTTASA-N 1 0 212.293 0.618 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1Nc1cncc(C#N)n1 ZINC000600674792 369558282 /nfs/dbraw/zinc/55/82/82/369558282.db2.gz IENUHDZUJGCAIV-IONNQARKSA-N 1 0 203.249 0.511 20 30 BCEDRO N#Cc1ccc(CNCC23CC(C2)C[NH2+]3)o1 ZINC000600770378 369564678 /nfs/dbraw/zinc/56/46/78/369564678.db2.gz XTCNEDWKDRDBFT-UHFFFAOYSA-N 1 0 217.272 0.993 20 30 BCEDRO N#Cc1ccc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)nc1N ZINC000600884337 369571426 /nfs/dbraw/zinc/57/14/26/369571426.db2.gz FAOANUMBUARJMY-AOOOYVTPSA-N 1 0 229.287 0.476 20 30 BCEDRO N#Cc1cncc(N2CCC[C@@H]3C[NH2+]CC[C@H]32)n1 ZINC000600885337 369571494 /nfs/dbraw/zinc/57/14/94/369571494.db2.gz QXZZXSHCZMSQOO-ZYHUDNBSSA-N 1 0 243.314 0.927 20 30 BCEDRO N#Cc1ccc(N2C[C@@H]3C[C@H]2C[NH2+]3)nc1 ZINC000600888523 369572032 /nfs/dbraw/zinc/57/20/32/369572032.db2.gz YJKHMLNHNYGYDX-UWVGGRQHSA-N 1 0 200.245 0.504 20 30 BCEDRO C[NH+](C)CCc1cn(-c2ncccc2C#N)nn1 ZINC000600976085 369582663 /nfs/dbraw/zinc/58/26/63/369582663.db2.gz IWPUYPUGIKEOPN-UHFFFAOYSA-N 1 0 242.286 0.638 20 30 BCEDRO C[NH2+][C@@H](C)c1cn(-c2ncccc2C#N)nn1 ZINC000600976026 369583536 /nfs/dbraw/zinc/58/35/36/369583536.db2.gz HNMQXTKMHOPHNT-QMMMGPOBSA-N 1 0 228.259 0.814 20 30 BCEDRO N#Cc1cnccc1CN1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000601327511 369621039 /nfs/dbraw/zinc/62/10/39/369621039.db2.gz TYNGXUPTTZBXAA-BETUJISGSA-N 1 0 228.299 0.889 20 30 BCEDRO N#Cc1nccc(N2C[C@H]3CC[C@@H](C2)[NH2+]3)n1 ZINC000601983313 369730696 /nfs/dbraw/zinc/73/06/96/369730696.db2.gz NCTPXDKOQPTOIL-DTORHVGOSA-N 1 0 215.260 0.289 20 30 BCEDRO N#Cc1nccc(N2CCC[C@H]3C[NH2+]C[C@H]32)n1 ZINC000601980312 369731797 /nfs/dbraw/zinc/73/17/97/369731797.db2.gz HQSXIWFXYSCWBB-VHSXEESVSA-N 1 0 229.287 0.536 20 30 BCEDRO C[C@@]1(F)C[NH2+]CCN(c2ccnc(C#N)n2)C1 ZINC000601981186 369731842 /nfs/dbraw/zinc/73/18/42/369731842.db2.gz QTOYLKOEORSTNL-LLVKDONJSA-N 1 0 235.266 0.486 20 30 BCEDRO N#Cc1cc(N2CC[C@@H]3CC[NH2+][C@H]3C2)ncn1 ZINC000601980754 369731852 /nfs/dbraw/zinc/73/18/52/369731852.db2.gz OHWXBPXCOHYUFD-ONGXEEELSA-N 1 0 229.287 0.536 20 30 BCEDRO C[C@]1(NC(=O)Cc2ccc(C#N)nc2)CC[NH2+]C1 ZINC000602528103 369805751 /nfs/dbraw/zinc/80/57/51/369805751.db2.gz MUEPOGMOHJCWRN-ZDUSSCGKSA-N 1 0 244.298 0.364 20 30 BCEDRO COCC[C@](C)(O)C[NH2+]Cc1cccc(C#N)n1 ZINC000602547074 369811112 /nfs/dbraw/zinc/81/11/12/369811112.db2.gz PLPKTRCGKHOKGG-ZDUSSCGKSA-N 1 0 249.314 0.830 20 30 BCEDRO N#Cc1cccc(C[NH2+]C2(CO)CCC2)n1 ZINC000602586093 369818923 /nfs/dbraw/zinc/81/89/23/369818923.db2.gz YRUNRLDSCWKLPP-UHFFFAOYSA-N 1 0 217.272 0.958 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@@H](O)C2)n1 ZINC000602682260 369841312 /nfs/dbraw/zinc/84/13/12/369841312.db2.gz PLGZCEWKQGQCMT-PHIMTYICSA-N 1 0 203.245 0.566 20 30 BCEDRO C[C@@H]1C[C@@H]([NH2+]CCn2cnc(C#N)n2)CS1 ZINC000602654361 369835571 /nfs/dbraw/zinc/83/55/71/369835571.db2.gz LUKDLNYKSRIVNT-RKDXNWHRSA-N 1 0 237.332 0.633 20 30 BCEDRO N#Cc1cccc(C[NH+]2CCC(C(N)=O)CC2)n1 ZINC000602429277 369787263 /nfs/dbraw/zinc/78/72/63/369787263.db2.gz OSIHLLRQFUVOSP-UHFFFAOYSA-N 1 0 244.298 0.651 20 30 BCEDRO N#Cc1cccc(C[N@H+]2CCC[C@H](C(N)=O)C2)n1 ZINC000602423785 369787299 /nfs/dbraw/zinc/78/72/99/369787299.db2.gz GVBKNADXZSZTHN-JTQLQIEISA-N 1 0 244.298 0.651 20 30 BCEDRO N#Cc1ccc(CC(=O)N[C@@H](C[NH3+])C2CC2)cn1 ZINC000602432547 369788434 /nfs/dbraw/zinc/78/84/34/369788434.db2.gz HOOWOJQKFCFYRS-LBPRGKRZSA-N 1 0 244.298 0.349 20 30 BCEDRO C[C@@H]1CN(C(=O)Cc2ccc(C#N)nc2)CC[NH2+]1 ZINC000602432992 369788552 /nfs/dbraw/zinc/78/85/52/369788552.db2.gz JFFNTDFAWOLHLP-SNVBAGLBSA-N 1 0 244.298 0.316 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)Cc1ccc(C#N)nc1 ZINC000602483443 369794628 /nfs/dbraw/zinc/79/46/28/369794628.db2.gz QYQXWJFTWVXFPI-SECBINFHSA-N 1 0 232.287 0.207 20 30 BCEDRO N#Cc1cccc(CN2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000602495444 369795929 /nfs/dbraw/zinc/79/59/29/369795929.db2.gz UTQMIIZGRBZPCO-QWRGUYRKSA-N 1 0 228.299 0.604 20 30 BCEDRO N#Cc1cccc(CN2C[C@@H]3C[C@H]2C[S@]3=O)n1 ZINC000602713568 369847484 /nfs/dbraw/zinc/84/74/84/369847484.db2.gz VXQUZLNZWSCOMA-NVGCLXPQSA-N 1 0 247.323 0.658 20 30 BCEDRO C[N@@H+]1CCN(Cc2ccc(C#N)cc2)[C@@H](CO)C1 ZINC000602717372 369847813 /nfs/dbraw/zinc/84/78/13/369847813.db2.gz YSKWDMHYQJLPKI-CQSZACIVSA-N 1 0 245.326 0.667 20 30 BCEDRO N#Cc1ccccc1Cn1cc(CC[NH3+])nn1 ZINC000603173020 369895992 /nfs/dbraw/zinc/89/59/92/369895992.db2.gz LOEVYOSXCBFJCN-UHFFFAOYSA-N 1 0 227.271 0.699 20 30 BCEDRO CCc1nc(C#N)cc(NC[C@@H](C)[NH3+])n1 ZINC000308237860 370114726 /nfs/dbraw/zinc/11/47/26/370114726.db2.gz WZMNNNIKNNWBJV-SSDOTTSWSA-N 1 0 205.265 0.670 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621159323 370131463 /nfs/dbraw/zinc/13/14/63/370131463.db2.gz IVSCOVGRZSSMHA-CMPLNLGQSA-N 1 0 226.320 0.380 20 30 BCEDRO CCOC[C@@H](O)C[NH2+][C@@H](CC)CC#N ZINC000308687909 370149875 /nfs/dbraw/zinc/14/98/75/370149875.db2.gz QJLSMHRWTVOPKH-UWVGGRQHSA-N 1 0 200.282 0.666 20 30 BCEDRO C[NH+](C)C[C@H](CO)Nc1ncccc1C#N ZINC000309671442 370241751 /nfs/dbraw/zinc/24/17/51/370241751.db2.gz WETYXPGWBGJQCX-SNVBAGLBSA-N 1 0 220.276 0.288 20 30 BCEDRO C[NH+](C)C[C@@H](CO)Nc1ncccc1C#N ZINC000309671441 370242650 /nfs/dbraw/zinc/24/26/50/370242650.db2.gz WETYXPGWBGJQCX-JTQLQIEISA-N 1 0 220.276 0.288 20 30 BCEDRO C=C1C[C@H]2CC[C@@H](C1)[N@H+]2CCS(=O)(=O)NC ZINC000621322168 370250576 /nfs/dbraw/zinc/25/05/76/370250576.db2.gz MGDJCUVGUYGYSH-PHIMTYICSA-N 1 0 244.360 0.719 20 30 BCEDRO COCC[N@H+](CCCCC#N)CC(=O)N(C)C ZINC000076032191 370202040 /nfs/dbraw/zinc/20/20/40/370202040.db2.gz OYZVQJKMULAMNV-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621689197 370437702 /nfs/dbraw/zinc/43/77/02/370437702.db2.gz DVQYQKWEACBJBS-CMPLNLGQSA-N 1 0 224.304 0.529 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000621779578 370528421 /nfs/dbraw/zinc/52/84/21/370528421.db2.gz GUOXPXUMTAFMBG-GMXVVIOVSA-N 1 0 237.347 0.490 20 30 BCEDRO C=CCNC(=O)CN1C[C@H]2CCC[C@@]2([NH3+])C1 ZINC000621778922 370528728 /nfs/dbraw/zinc/52/87/28/370528728.db2.gz XGNACUQEZHHUMI-ZYHUDNBSSA-N 1 0 223.320 0.102 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@@H]3CCC[C@]3([NH3+])C2)C1=O ZINC000621784136 370535587 /nfs/dbraw/zinc/53/55/87/370535587.db2.gz KKMYEOCYDNLIRU-OBJOEFQTSA-N 1 0 249.358 0.587 20 30 BCEDRO C[C@H](O)C[NH2+]CCOc1ccc(C#N)cc1 ZINC000390497617 371207769 /nfs/dbraw/zinc/20/77/69/371207769.db2.gz SOIRLIKFCBJKQV-JTQLQIEISA-N 1 0 220.272 0.907 20 30 BCEDRO C[N@H+](CCO)CCOc1cccc(C#N)c1 ZINC000037899281 371289997 /nfs/dbraw/zinc/28/99/97/371289997.db2.gz MCFOFSSUTCCLER-UHFFFAOYSA-N 1 0 220.272 0.861 20 30 BCEDRO C[C@H]1OCC[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000125326332 371318316 /nfs/dbraw/zinc/31/83/16/371318316.db2.gz KGELOGAFOJCJRP-ZYHUDNBSSA-N 1 0 223.320 0.741 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CCN1CC[C@@H](O)C1 ZINC000624230187 371419042 /nfs/dbraw/zinc/41/90/42/371419042.db2.gz PZSBAPPLAXFPCD-NWDGAFQWSA-N 1 0 212.337 0.997 20 30 BCEDRO N#Cc1ccccc1S(=O)(=O)NCCC[NH3+] ZINC000021517613 371437754 /nfs/dbraw/zinc/43/77/54/371437754.db2.gz CRXKWFKOLSGFMA-UHFFFAOYSA-N 1 0 239.300 0.185 20 30 BCEDRO CC[C@H](C#N)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000392812454 371459106 /nfs/dbraw/zinc/45/91/06/371459106.db2.gz CPMXCODJHWTPNP-LLVKDONJSA-N 1 0 221.304 0.914 20 30 BCEDRO C=CC[C@H]1CCCC[C@@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624384794 371496480 /nfs/dbraw/zinc/49/64/80/371496480.db2.gz DXIISAZEYIHOGN-IUCAKERBSA-N 1 0 248.334 0.665 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000624393953 371498408 /nfs/dbraw/zinc/49/84/08/371498408.db2.gz PUMZTGBVARYVCT-VHSXEESVSA-N 1 0 232.349 0.622 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2C[C@H](C(N)=O)C2)n1 ZINC000602724554 371834488 /nfs/dbraw/zinc/83/44/88/371834488.db2.gz VROXVGJROVQBAH-JLIMDTESSA-N 1 0 230.271 0.307 20 30 BCEDRO CC[C@@H]1CCCC[N@@H+]1CC(=O)NCC#N ZINC000066472015 372314984 /nfs/dbraw/zinc/31/49/84/372314984.db2.gz QTWLDXPFPGDFJA-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C=C1CC(C)(C(=O)NC[C@](C)(O)C[NH+](C)C)C1 ZINC000632072056 372747829 /nfs/dbraw/zinc/74/78/29/372747829.db2.gz UIGIFTGPHSILTC-ZDUSSCGKSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@@H](C)NS(=O)(=O)CCC[NH+]1CCCC1 ZINC000632092438 372755541 /nfs/dbraw/zinc/75/55/41/372755541.db2.gz CXKFNJVZRUWHQL-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C1CC(C)(C(=O)NC[C@]2(O)CC[N@@H+](C)C2)C1 ZINC000632473158 372964306 /nfs/dbraw/zinc/96/43/06/372964306.db2.gz UXKDOPUQHKVGQA-CYBMUJFWSA-N 1 0 238.331 0.526 20 30 BCEDRO C=CCN(C)C(=O)c1cnn(CC[NH+](C)C)c1 ZINC000632569800 373010298 /nfs/dbraw/zinc/01/02/98/373010298.db2.gz CQQWQIFMRFILTJ-UHFFFAOYSA-N 1 0 236.319 0.703 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NC[C@@H](C)[NH3+] ZINC000633644061 373654382 /nfs/dbraw/zinc/65/43/82/373654382.db2.gz MRVUDCXPKGCVSQ-BBBLOLIVSA-N 1 0 227.308 0.366 20 30 BCEDRO C=CCCOCC(=O)NCC[NH+]1CCCC1 ZINC000143322609 374158191 /nfs/dbraw/zinc/15/81/91/374158191.db2.gz SCFMKNWZIVIYKI-UHFFFAOYSA-N 1 0 226.320 0.791 20 30 BCEDRO N#CCC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000042323501 374262778 /nfs/dbraw/zinc/26/27/78/374262778.db2.gz JAFDWYDAEMTNSJ-ZJUUUORDSA-N 1 0 207.277 0.643 20 30 BCEDRO COC[C@H](O)C[N@H+](C)Cc1cccc(C#N)c1 ZINC000042504562 374272342 /nfs/dbraw/zinc/27/23/42/374272342.db2.gz CRKJKARTJKPCJJ-CYBMUJFWSA-N 1 0 234.299 0.997 20 30 BCEDRO C=CCN(CC=C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000418389799 206017464 /nfs/dbraw/zinc/01/74/64/206017464.db2.gz UEJINBPWDHXMTR-JTQLQIEISA-N 1 0 209.293 0.732 20 30 BCEDRO CN(CC1CC1)C(=O)[C@H]([NH3+])CCCC#N ZINC000424090117 206028575 /nfs/dbraw/zinc/02/85/75/206028575.db2.gz KAACGTQVETXMPR-SNVBAGLBSA-N 1 0 209.293 0.876 20 30 BCEDRO COC[C@H](C)N(C)C(=O)[C@H]([NH3+])CCCC#N ZINC000424092338 206028978 /nfs/dbraw/zinc/02/89/78/206028978.db2.gz OQACTBQFXOZDJW-VHSXEESVSA-N 1 0 227.308 0.501 20 30 BCEDRO CCCNC(=O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189581153 169226505 /nfs/dbraw/zinc/22/65/05/169226505.db2.gz PWJKPMYGWNXRTE-UHFFFAOYSA-N 1 0 234.303 0.513 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@H]1COC2(CCCCC2)O1 ZINC000179562709 134322086 /nfs/dbraw/zinc/32/20/86/134322086.db2.gz XIXVLIKYSAWKRF-JTQLQIEISA-N 1 0 241.335 0.939 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000566193410 383824422 /nfs/dbraw/zinc/82/44/22/383824422.db2.gz WRJUUEBVTSUDQF-LPEHRKFASA-N 1 0 229.324 0.348 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)NC2(C#N)CCC2)C1 ZINC000334246957 383878519 /nfs/dbraw/zinc/87/85/19/383878519.db2.gz VDBPHAABDILQRB-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@@H](OC)C1CC1 ZINC000400218348 383920944 /nfs/dbraw/zinc/92/09/44/383920944.db2.gz MMFONLXFZUCPLF-SNVBAGLBSA-N 1 0 212.293 0.303 20 30 BCEDRO C#C[C@@H]([NH2+]CN1CCC(=O)CC1)C(C)C ZINC000289319440 383980076 /nfs/dbraw/zinc/98/00/76/383980076.db2.gz FOLGRQDIFUPJKL-GFCCVEGCSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH+](CC#C)CCCC(=O)NCCC ZINC000298820044 383998146 /nfs/dbraw/zinc/99/81/46/383998146.db2.gz AWXOYJFZSKVSKZ-UHFFFAOYSA-N 1 0 220.316 0.861 20 30 BCEDRO C#CCNC(=O)NCC[NH+]1CCCCCC1 ZINC000298582386 383954033 /nfs/dbraw/zinc/95/40/33/383954033.db2.gz PHEKUYZDTGESIT-UHFFFAOYSA-N 1 0 223.320 0.795 20 30 BCEDRO C=CCn1cc(C(=O)NC2(C)CC[NH2+]CC2)nn1 ZINC000648127169 384017850 /nfs/dbraw/zinc/01/78/50/384017850.db2.gz VFEQCHQOLANNHY-UHFFFAOYSA-N 1 0 249.318 0.336 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NS(=O)(=O)CCC#N ZINC000332468271 384006548 /nfs/dbraw/zinc/00/65/48/384006548.db2.gz KWCCQSCRXAYVAI-VIFPVBQESA-N 1 0 233.337 0.160 20 30 BCEDRO C#CCNC(=O)NCCCn1ccnc1C ZINC000298943503 384083675 /nfs/dbraw/zinc/08/36/75/384083675.db2.gz DFCLELGHUDZNQD-UHFFFAOYSA-N 1 0 220.276 0.514 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](N2CCOCC2)C1 ZINC000363466031 384069896 /nfs/dbraw/zinc/06/98/96/384069896.db2.gz AQWBIORXWQOHQG-CHWSQXEVSA-N 1 0 222.332 0.662 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000078724255 384078470 /nfs/dbraw/zinc/07/84/70/384078470.db2.gz GLRKKLOZXBXAHE-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000643704054 384079743 /nfs/dbraw/zinc/07/97/43/384079743.db2.gz IZOZQXAMWMCBIR-ZJUUUORDSA-N 1 0 249.318 0.507 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000643704051 384079875 /nfs/dbraw/zinc/07/98/75/384079875.db2.gz IZOZQXAMWMCBIR-NXEZZACHSA-N 1 0 249.318 0.507 20 30 BCEDRO CC[C@@H](C)[N@H+](C)CCNC(=O)[C@@H](C)C#N ZINC000227633578 134389331 /nfs/dbraw/zinc/38/93/31/134389331.db2.gz UDERGALEDBDLAI-VHSXEESVSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NCC#N)C[C@@H]1C ZINC000122650328 384101096 /nfs/dbraw/zinc/10/10/96/384101096.db2.gz PFGOQXYUSGTPCK-ZJUUUORDSA-N 1 0 209.293 0.604 20 30 BCEDRO N#CCCN(CCC#N)C(=O)C[NH+]1CCCC1 ZINC000070923658 384141136 /nfs/dbraw/zinc/14/11/36/384141136.db2.gz ORVVLRMQIQVDHF-UHFFFAOYSA-N 1 0 234.303 0.738 20 30 BCEDRO C#CCCCNC(=O)[C@@H]1C[N@H+](C(C)C)CCO1 ZINC000367581972 533039712 /nfs/dbraw/zinc/03/97/12/533039712.db2.gz YTGSEQUPSICFHZ-LBPRGKRZSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@H+](C)CCO ZINC000153140464 384179509 /nfs/dbraw/zinc/17/95/09/384179509.db2.gz AOZGLCKUXQMKSE-LLVKDONJSA-N 1 0 228.336 0.724 20 30 BCEDRO C#CCC[NH+]1CCC(N2CCN(C)CC2=O)CC1 ZINC000360633369 533045521 /nfs/dbraw/zinc/04/55/21/533045521.db2.gz BAMKNQOVSUSEHV-UHFFFAOYSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CCC[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000371199186 533048522 /nfs/dbraw/zinc/04/85/22/533048522.db2.gz RTLKDQRHVRJGAC-UHFFFAOYSA-N 1 0 230.333 0.023 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H]1CCO[C@@H]1C1CC1 ZINC000235518820 384259943 /nfs/dbraw/zinc/25/99/43/384259943.db2.gz NBGPNTFZQXDYKH-ZMLRMANQSA-N 1 0 238.331 0.834 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000490627527 384277984 /nfs/dbraw/zinc/27/79/84/384277984.db2.gz BSPSEBMHGPNIHB-GFCCVEGCSA-N 1 0 235.331 0.889 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000135029664 384300294 /nfs/dbraw/zinc/30/02/94/384300294.db2.gz OPOYZOYBNRXWTO-UHFFFAOYSA-N 1 0 218.260 0.272 20 30 BCEDRO CC(C)(C#N)CNC(=O)Cn1ccnc1 ZINC000308801959 384302060 /nfs/dbraw/zinc/30/20/60/384302060.db2.gz DYMMNWJSOBXQHY-UHFFFAOYSA-N 1 0 206.249 0.549 20 30 BCEDRO C#CCC[NH+]1CCN(c2cncc(C)n2)CC1 ZINC000302235304 533055425 /nfs/dbraw/zinc/05/54/25/533055425.db2.gz UVDSJDOOQPZOQX-UHFFFAOYSA-N 1 0 230.315 0.930 20 30 BCEDRO C[C@@H]1C[N@H+](C)CCN1c1nccc(C#N)n1 ZINC000235324646 384346031 /nfs/dbraw/zinc/34/60/31/384346031.db2.gz UWLNGKVBAKYMFZ-SECBINFHSA-N 1 0 217.276 0.489 20 30 BCEDRO C=CCN1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000334208765 384368018 /nfs/dbraw/zinc/36/80/18/384368018.db2.gz KGONVZKSGLYJDE-NWDGAFQWSA-N 1 0 210.321 0.967 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000335569910 384330730 /nfs/dbraw/zinc/33/07/30/384330730.db2.gz KFLQXSKLHUQMJS-PWSUYJOCSA-N 1 0 221.304 0.700 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1c[nH]c(C#N)c1 ZINC000286859565 384402233 /nfs/dbraw/zinc/40/22/33/384402233.db2.gz CAUYJHBGLGCVKY-QMMMGPOBSA-N 1 0 220.276 0.566 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]([NH3+])[C@@H](CC)C1 ZINC000647268390 384445204 /nfs/dbraw/zinc/44/52/04/384445204.db2.gz AXJSYLIFWUILDY-QWRGUYRKSA-N 1 0 246.376 0.952 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000648179885 384449472 /nfs/dbraw/zinc/44/94/72/384449472.db2.gz IWBINVOXTZVAJW-HHHUOAJASA-N 1 0 236.315 0.159 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000249020164 384457903 /nfs/dbraw/zinc/45/79/03/384457903.db2.gz QMULUMMIUZBVAP-OLZOCXBDSA-N 1 0 241.331 0.805 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCCNC(=O)[C@H]1C ZINC000249105619 384490929 /nfs/dbraw/zinc/49/09/29/384490929.db2.gz XBKDUBIEARRAJS-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO COCCNC(=[NH2+])NCc1ccccc1 ZINC000161473164 384492136 /nfs/dbraw/zinc/49/21/36/384492136.db2.gz WWRSHYXOWXXAQW-UHFFFAOYSA-N 1 0 207.277 0.737 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCN2C(=O)NC[C@@H]2C1 ZINC000150879581 384514640 /nfs/dbraw/zinc/51/46/40/384514640.db2.gz UMONGUFFBFQJTA-MNOVXSKESA-N 1 0 239.319 0.023 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@H]2OCCC[C@@H]12 ZINC000249938252 384529264 /nfs/dbraw/zinc/52/92/64/384529264.db2.gz SMUDYPTYMPSDII-MMWGEVLESA-N 1 0 241.335 0.493 20 30 BCEDRO CC(C)(C)[C@@H](CCO)[NH2+]CC(=O)NCC#N ZINC000183677639 384555037 /nfs/dbraw/zinc/55/50/37/384555037.db2.gz BAOSEXIWSCESCL-SECBINFHSA-N 1 0 227.308 0.013 20 30 BCEDRO C[C@@H](C[NH2+]CC(C)(C)CC#N)S(C)(=O)=O ZINC000517927136 384574340 /nfs/dbraw/zinc/57/43/40/384574340.db2.gz ZJZCYFLXJPDKLJ-VIFPVBQESA-N 1 0 232.349 0.949 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)Cc1ccc(F)cc1 ZINC000491760648 384583763 /nfs/dbraw/zinc/58/37/63/384583763.db2.gz RYXOCPNAMOAAJM-OLZOCXBDSA-N 1 0 237.274 0.313 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@H]3CC[NH2+][C@H]3C2)C1=O ZINC000643064983 384587803 /nfs/dbraw/zinc/58/78/03/384587803.db2.gz MVIJPXQAELZGJB-AVGNSLFASA-N 1 0 249.358 0.457 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCC[NH2+]CC ZINC000491753625 384566892 /nfs/dbraw/zinc/56/68/92/384566892.db2.gz ZYUKQESRFYKCHB-SNVBAGLBSA-N 1 0 211.309 0.697 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000491382172 384616243 /nfs/dbraw/zinc/61/62/43/384616243.db2.gz HSASIPVLDBYXHP-QWRGUYRKSA-N 1 0 235.331 0.886 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000491771028 384626710 /nfs/dbraw/zinc/62/67/10/384626710.db2.gz NRNJEDFYJUDXHY-MNOVXSKESA-N 1 0 239.319 0.076 20 30 BCEDRO CC(C)(C#N)CCC[NH2+]C1(C(N)=O)CC1 ZINC000183806686 384593267 /nfs/dbraw/zinc/59/32/67/384593267.db2.gz PQNMDLDKYHEMDF-UHFFFAOYSA-N 1 0 209.293 0.924 20 30 BCEDRO CC#CCC[N@@H+]1CCNC(=O)[C@H]1C(C)C ZINC000185026672 384672045 /nfs/dbraw/zinc/67/20/45/384672045.db2.gz GEBMDMUTLUXHSR-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)COc1ccccc1C ZINC000491778525 384673548 /nfs/dbraw/zinc/67/35/48/384673548.db2.gz YJMMHRVKPQZGEN-QWHCGFSZSA-N 1 0 249.310 0.318 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCc1ccc(O)cc1 ZINC000491385272 384653533 /nfs/dbraw/zinc/65/35/33/384653533.db2.gz QYAMUYRQWSOSRN-UHFFFAOYSA-N 1 0 246.310 0.664 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000491384865 384654660 /nfs/dbraw/zinc/65/46/60/384654660.db2.gz PXSZGWKTVRJYLF-JTQLQIEISA-N 1 0 234.303 0.210 20 30 BCEDRO C#CCNC(=O)[C@@H]1[NH2+]CCc2ccccc21 ZINC000049843585 384686754 /nfs/dbraw/zinc/68/67/54/384686754.db2.gz TWPCHPZIARACJW-GFCCVEGCSA-N 1 0 214.268 0.623 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC[C@@H](O)CC ZINC000491784980 384689172 /nfs/dbraw/zinc/68/91/72/384689172.db2.gz RJHDWGITTMQKCK-NSHDSACASA-N 1 0 226.320 0.267 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@]1(C)CCO[C@H]1C ZINC000300370631 384706194 /nfs/dbraw/zinc/70/61/94/384706194.db2.gz UGXOQLZQRSAIQP-NHCYSSNCSA-N 1 0 226.320 0.834 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CCOC[C@H]1C#N ZINC000078997638 384714938 /nfs/dbraw/zinc/71/49/38/384714938.db2.gz WCALLXFHEKAFQF-SNVBAGLBSA-N 1 0 225.292 0.078 20 30 BCEDRO CC#CCC[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000155665439 384746577 /nfs/dbraw/zinc/74/65/77/384746577.db2.gz WKKNPQLFJPAPIW-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCN(CCOC)C1 ZINC000309982417 384758860 /nfs/dbraw/zinc/75/88/60/384758860.db2.gz WUHZYYNXMVOFMN-RYUDHWBXSA-N 1 0 228.336 0.234 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NCC(C)(C)O ZINC000297524842 384832712 /nfs/dbraw/zinc/83/27/12/384832712.db2.gz QFWAERDJJBALFE-UHFFFAOYSA-N 1 0 241.335 0.012 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1cc(C#N)c[nH]1 ZINC000175652560 384832798 /nfs/dbraw/zinc/83/27/98/384832798.db2.gz UJTHMGNSDVITAP-UHFFFAOYSA-N 1 0 220.276 0.568 20 30 BCEDRO C=CCn1cc(C(=O)NCCC[NH2+]C2CC2)nn1 ZINC000648203622 384834204 /nfs/dbraw/zinc/83/42/04/384834204.db2.gz RNQHJFYYUSWPHN-UHFFFAOYSA-N 1 0 249.318 0.336 20 30 BCEDRO CCOCC[NH+]1CCN(CCCC#N)CC1 ZINC000105829916 384801618 /nfs/dbraw/zinc/80/16/18/384801618.db2.gz MBCXZJUPIXQDDO-UHFFFAOYSA-N 1 0 225.336 0.944 20 30 BCEDRO C#CC[NH+](CC#C)CCC(=O)NC(C)C ZINC000174528405 384803077 /nfs/dbraw/zinc/80/30/77/384803077.db2.gz DWLBEENZTPCHAM-UHFFFAOYSA-N 1 0 206.289 0.470 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@H]1CCCOC1 ZINC000491120253 384887121 /nfs/dbraw/zinc/88/71/21/384887121.db2.gz LZKSISWUTBVSRN-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000320278333 384887187 /nfs/dbraw/zinc/88/71/87/384887187.db2.gz NSLQBTVZNJGTDZ-NXEZZACHSA-N 1 0 212.293 0.182 20 30 BCEDRO C=CC[NH+](CC=C)CCN1C(=O)CNC1=O ZINC000104945866 384850131 /nfs/dbraw/zinc/85/01/31/384850131.db2.gz NBGUADIUPLXKGQ-UHFFFAOYSA-N 1 0 223.276 0.212 20 30 BCEDRO C=CCN1CCC([NH2+]C[C@H](O)COC)CC1 ZINC000644549038 384949320 /nfs/dbraw/zinc/94/93/20/384949320.db2.gz FMSQTRCOEBPLSG-LBPRGKRZSA-N 1 0 228.336 0.234 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cncnc1OC ZINC000647201131 384893249 /nfs/dbraw/zinc/89/32/49/384893249.db2.gz BDMUERHDBDLORT-SNVBAGLBSA-N 1 0 223.276 0.512 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)C1CCOCC1 ZINC000531105064 384958190 /nfs/dbraw/zinc/95/81/90/384958190.db2.gz MGSRHPSMKBKJRV-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO C#C[C@@H](CC)NS(=O)(=O)CC[NH+](CC)CC ZINC000491483931 384990981 /nfs/dbraw/zinc/99/09/81/384990981.db2.gz FSXMESROCCKYGZ-NSHDSACASA-N 1 0 246.376 0.659 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCSC(C)C ZINC000491483927 384991521 /nfs/dbraw/zinc/99/15/21/384991521.db2.gz FSQBNAORWJZQHH-UHFFFAOYSA-N 1 0 228.361 0.857 20 30 BCEDRO C=CCOCCCC(=O)N1CC[NH2+][C@H](C)C1 ZINC000188428359 385012159 /nfs/dbraw/zinc/01/21/59/385012159.db2.gz RISCHAISSUIUFN-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000361594348 385016545 /nfs/dbraw/zinc/01/65/45/385016545.db2.gz JQIMPNXVLGVVBU-VXGBXAGGSA-N 1 0 248.330 0.821 20 30 BCEDRO C=CCOCC[N@@H+](CCO)CCOC ZINC000338953043 384961218 /nfs/dbraw/zinc/96/12/18/384961218.db2.gz BQCXTWCWXDIXGO-UHFFFAOYSA-N 1 0 203.282 0.130 20 30 BCEDRO C=CC[C@H](CO)[NH2+]CCCc1cnn(C)c1 ZINC000320360705 384962650 /nfs/dbraw/zinc/96/26/50/384962650.db2.gz DWCJXQYFFATCNZ-GFCCVEGCSA-N 1 0 223.320 0.879 20 30 BCEDRO CC[N@@H+]1C[C@@H](C)N(CC(=O)NCC#N)C[C@H]1C ZINC000408046258 385048740 /nfs/dbraw/zinc/04/87/40/385048740.db2.gz KKOSFBXFEHVMKT-GHMZBOCLSA-N 1 0 238.335 0.041 20 30 BCEDRO CC[NH+](CC)CC[C@H](CO)NC(=O)[C@H](C)C#N ZINC000516661566 385053514 /nfs/dbraw/zinc/05/35/14/385053514.db2.gz MHTXGUWUERBXOH-GHMZBOCLSA-N 1 0 241.335 0.355 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000491505977 385058642 /nfs/dbraw/zinc/05/86/42/385058642.db2.gz NVULGJJGNHYOGV-STQMWFEESA-N 1 0 247.342 0.782 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000491505976 385060173 /nfs/dbraw/zinc/06/01/73/385060173.db2.gz NVULGJJGNHYOGV-QWHCGFSZSA-N 1 0 247.342 0.782 20 30 BCEDRO C[C@H](O)CN(CCO)Cc1ccccc1C#N ZINC000289372394 385073835 /nfs/dbraw/zinc/07/38/35/385073835.db2.gz BLFPMXSTXVRCAZ-NSHDSACASA-N 1 0 234.299 0.733 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@](C)(O)C1 ZINC000245921706 385076600 /nfs/dbraw/zinc/07/66/00/385076600.db2.gz NZNGXODAESDCNM-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)c1cnn(C)c1C#N ZINC000356108858 385031660 /nfs/dbraw/zinc/03/16/60/385031660.db2.gz JHAMZFHMIMKOGI-UHFFFAOYSA-N 1 0 249.318 0.362 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000557595627 385032154 /nfs/dbraw/zinc/03/21/54/385032154.db2.gz IBWHBRZCRVEJJT-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO N#CCCC[N@H+]1CC[C@@]2(CNC(=O)C2)C1 ZINC000408402707 385125366 /nfs/dbraw/zinc/12/53/66/385125366.db2.gz PYZJAOHTONSAHV-LLVKDONJSA-N 1 0 207.277 0.502 20 30 BCEDRO CN1CCOC[C@@H]1C[NH2+]Cc1cccc(C#N)c1 ZINC000599002867 385085808 /nfs/dbraw/zinc/08/58/08/385085808.db2.gz CVALFUKYTJAQIP-AWEZNQCLSA-N 1 0 245.326 0.978 20 30 BCEDRO N#Cc1cccc(NC(=O)NC2C[NH2+]C2)c1 ZINC000085256238 385087964 /nfs/dbraw/zinc/08/79/64/385087964.db2.gz TUGMZJPBBMZOMO-UHFFFAOYSA-N 1 0 216.244 0.652 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CCO[C@@H](C#N)C1 ZINC000106043121 385088911 /nfs/dbraw/zinc/08/89/11/385088911.db2.gz WJLXOXGNEIDERN-JTQLQIEISA-N 1 0 225.292 0.078 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000308782388 385093791 /nfs/dbraw/zinc/09/37/91/385093791.db2.gz DHVZWRZTQCZMHX-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](CC)CO ZINC000296970869 533105532 /nfs/dbraw/zinc/10/55/32/533105532.db2.gz RMPSKTHJKJDNRF-LLVKDONJSA-N 1 0 241.335 0.012 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@](C)(CC)C(N)=O ZINC000305049544 385190840 /nfs/dbraw/zinc/19/08/40/385190840.db2.gz BYIDUZBJPKBIPR-MWLCHTKSSA-N 1 0 214.309 0.557 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cccnc1 ZINC000293977677 533106376 /nfs/dbraw/zinc/10/63/76/533106376.db2.gz MSDRCVLCZJTPOD-UHFFFAOYSA-N 1 0 231.299 0.767 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccncn1 ZINC000294042288 533106798 /nfs/dbraw/zinc/10/67/98/533106798.db2.gz SOMVFTQIJSUAPV-UHFFFAOYSA-N 1 0 232.287 0.162 20 30 BCEDRO CC1(C#N)CC[NH+]([C@H]2CCCNC2=O)CC1 ZINC000336360869 385156166 /nfs/dbraw/zinc/15/61/66/385156166.db2.gz JRUJULWNSAVWAM-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCN(C)[C@@H](C)[C@@H]1C ZINC000491616836 385161463 /nfs/dbraw/zinc/16/14/63/385161463.db2.gz BWQSOZRXUINKTE-RYUDHWBXSA-N 1 0 237.347 0.150 20 30 BCEDRO Cc1nc(C(=O)N(C)CC[NH+](C)C)ccc1C#N ZINC000176813165 385165204 /nfs/dbraw/zinc/16/52/04/385165204.db2.gz DQPWBOQTCHWXFI-UHFFFAOYSA-N 1 0 246.314 0.895 20 30 BCEDRO Cc1nsc(NC[C@@H]2C[NH2+]CCO2)c1C#N ZINC000333751128 385172034 /nfs/dbraw/zinc/17/20/34/385172034.db2.gz ZABWLVPOSYQZNB-QMMMGPOBSA-N 1 0 238.316 0.724 20 30 BCEDRO C=CCCOCC(=O)N1CCCO[C@@H](C[NH3+])C1 ZINC000647089137 385256248 /nfs/dbraw/zinc/25/62/48/385256248.db2.gz CDTZVFIGVIERBE-NSHDSACASA-N 1 0 242.319 0.155 20 30 BCEDRO C[C@H](CCO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000189597054 385219039 /nfs/dbraw/zinc/21/90/39/385219039.db2.gz UUDMGMRWCCMKSG-SECBINFHSA-N 1 0 207.277 0.757 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+](CC)CCOCC ZINC000157573988 385202859 /nfs/dbraw/zinc/20/28/59/385202859.db2.gz USNYFUKAYLMUAF-LLVKDONJSA-N 1 0 226.320 0.483 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1nc(C)ccc1O ZINC000289728452 385307956 /nfs/dbraw/zinc/30/79/56/385307956.db2.gz GDVHDWCWWOOEQC-SECBINFHSA-N 1 0 208.261 0.732 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@@H+]([C@H]2CC[C@@H](C#N)C2)C1 ZINC000407993562 385329623 /nfs/dbraw/zinc/32/96/23/385329623.db2.gz QEAVGMUESQSPPP-MXWKQRLJSA-N 1 0 236.319 0.682 20 30 BCEDRO C=CCCOCC[NH2+]C[C@@H](O)CSC ZINC000562990910 385333744 /nfs/dbraw/zinc/33/37/44/385333744.db2.gz JNSVICKDZDSMOP-SNVBAGLBSA-N 1 0 219.350 0.893 20 30 BCEDRO CC(C)NC(=O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000309018618 385373244 /nfs/dbraw/zinc/37/32/44/385373244.db2.gz VRDRCKKJYPLDNI-VHSXEESVSA-N 1 0 209.293 0.793 20 30 BCEDRO CC[C@H]1CCC[C@H]1[NH2+]CC(=O)NCC#N ZINC000309067851 385392827 /nfs/dbraw/zinc/39/28/27/385392827.db2.gz AJTCGFYTHMMOGO-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO N#CCSCCC[NH2+]C1(C(N)=O)CC1 ZINC000181724531 385411374 /nfs/dbraw/zinc/41/13/74/385411374.db2.gz DWPIRHVTVJUMBG-UHFFFAOYSA-N 1 0 213.306 0.241 20 30 BCEDRO C#CCN(C(=O)NC[C@H]1CCC[NH2+]C1)C1CC1 ZINC000491674441 385453814 /nfs/dbraw/zinc/45/38/14/385453814.db2.gz ROENCZWVMRCNNY-NSHDSACASA-N 1 0 235.331 0.793 20 30 BCEDRO CCOCCNC(=[NH2+])Nc1ccccn1 ZINC000170910829 385454813 /nfs/dbraw/zinc/45/48/13/385454813.db2.gz GPXWDOBLCPXPSI-UHFFFAOYSA-N 1 0 208.265 0.845 20 30 BCEDRO CN(C)C(=[NH2+])NCc1nncn1-c1ccccc1 ZINC000170905461 385455357 /nfs/dbraw/zinc/45/53/57/385455357.db2.gz MLPPMSAHODVOJG-UHFFFAOYSA-N 1 0 244.302 0.644 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](C)N(C2CC2)C1 ZINC000309121505 385427070 /nfs/dbraw/zinc/42/70/70/385427070.db2.gz OASDTGZQZOBQDU-GMTAPVOTSA-N 1 0 210.321 0.748 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000309121507 385428071 /nfs/dbraw/zinc/42/80/71/385428071.db2.gz OASDTGZQZOBQDU-HBNTYKKESA-N 1 0 210.321 0.748 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](OC)C[C@@H]1C ZINC000491670794 385429826 /nfs/dbraw/zinc/42/98/26/385429826.db2.gz FBSDTCQBUCLUIE-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H](C)[NH2+][C@H](C)C1 ZINC000644086906 385437751 /nfs/dbraw/zinc/43/77/51/385437751.db2.gz AEAMRCYOAKDUHN-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000644100149 385474064 /nfs/dbraw/zinc/47/40/64/385474064.db2.gz NDSIJEORLSLUQL-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCCCNC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000448387921 385481114 /nfs/dbraw/zinc/48/11/14/385481114.db2.gz KXKAXLGCXOUNNQ-LBPRGKRZSA-N 1 0 243.351 0.564 20 30 BCEDRO C[NH+]=C(NCCn1ccnc1)NCc1ccco1 ZINC000171411951 385482936 /nfs/dbraw/zinc/48/29/36/385482936.db2.gz OBDRROXBTOMGOU-UHFFFAOYSA-N 1 0 247.302 0.841 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000491675949 385460534 /nfs/dbraw/zinc/46/05/34/385460534.db2.gz VPEQPHNQDCVFLN-JTQLQIEISA-N 1 0 247.298 0.577 20 30 BCEDRO CN(CC[NH3+])C(=O)COc1ccc(C#N)cc1 ZINC000564096445 385514199 /nfs/dbraw/zinc/51/41/99/385514199.db2.gz DMXFCAJBMWMKHS-UHFFFAOYSA-N 1 0 233.271 0.354 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@](C)(CC)OC ZINC000319016043 385539242 /nfs/dbraw/zinc/53/92/42/385539242.db2.gz GZHUQNSHJZSRDW-NSHDSACASA-N 1 0 214.309 0.693 20 30 BCEDRO C[C@H](CO)[N@H+](C)Cc1cnc2c(C#N)cnn2c1 ZINC000564212919 385524086 /nfs/dbraw/zinc/52/40/86/385524086.db2.gz YSBZKMBGTMDFPQ-SECBINFHSA-N 1 0 245.286 0.414 20 30 BCEDRO Cc1cc(CN2CC[C@@](O)(CC#N)C2)on1 ZINC000592147027 385568123 /nfs/dbraw/zinc/56/81/23/385568123.db2.gz LLVYRLIMGDWQGT-NSHDSACASA-N 1 0 221.260 0.834 20 30 BCEDRO CC(C)(C)NC(=O)CN1CC[C@@](O)(CC#N)C1 ZINC000592146227 385568364 /nfs/dbraw/zinc/56/83/64/385568364.db2.gz GGXNIPLPMALVOK-LBPRGKRZSA-N 1 0 239.319 0.252 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H]1CCC[NH2+]C1)C(C)C ZINC000491708664 385606557 /nfs/dbraw/zinc/60/65/57/385606557.db2.gz NPMVBPMYCJDNSA-RYUDHWBXSA-N 1 0 237.347 0.943 20 30 BCEDRO C[C@H](C#N)C(=O)N(C)CC[NH+]1CCCC1 ZINC000063053021 385587329 /nfs/dbraw/zinc/58/73/29/385587329.db2.gz JBMMUBIKTHYAKU-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@@]12CCNC2=O ZINC000593996761 385592825 /nfs/dbraw/zinc/59/28/25/385592825.db2.gz RFEPAXNLOWQFRW-LBPRGKRZSA-N 1 0 237.303 0.271 20 30 BCEDRO C=CCOCC(=O)N[C@H](C[NH3+])CC(C)C ZINC000309499109 385624327 /nfs/dbraw/zinc/62/43/27/385624327.db2.gz UOHYUKRIICDGLW-JTQLQIEISA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)[C@H]1CCCOC1 ZINC000309549542 385682045 /nfs/dbraw/zinc/68/20/45/385682045.db2.gz HSBYJLQCZATDHE-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO C#CCN/C(NCc1cn2ccsc2n1)=[NH+]/C ZINC000262607078 533141747 /nfs/dbraw/zinc/14/17/47/533141747.db2.gz GXRHOANJKFBLRC-UHFFFAOYSA-N 1 0 247.327 0.694 20 30 BCEDRO C#CCNC(NCC1(O)CCCC1)=[NH+]C ZINC000262824637 533141793 /nfs/dbraw/zinc/14/17/93/533141793.db2.gz ZLDKXDNYRIWRMA-UHFFFAOYSA-N 1 0 209.293 0.090 20 30 BCEDRO C#C[C@H](CC)NC(=O)C=Cc1c[nH]cn1 ZINC000491734362 385729158 /nfs/dbraw/zinc/72/91/58/385729158.db2.gz BMQZKBWHSIRVGH-SSJHQANKSA-N 1 0 203.245 0.951 20 30 BCEDRO C[C@H](C#N)NC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000347561954 385739256 /nfs/dbraw/zinc/73/92/56/385739256.db2.gz MADGDFIRVSOEAP-BDAKNGLRSA-N 1 0 227.333 0.452 20 30 BCEDRO N#Cc1ccc(=O)n(CC[C@@H]2CC[NH2+]C2)c1 ZINC000396666245 385751961 /nfs/dbraw/zinc/75/19/61/385751961.db2.gz VZLJUGUPIIJTHX-JTQLQIEISA-N 1 0 217.272 0.720 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000186698172 385782815 /nfs/dbraw/zinc/78/28/15/385782815.db2.gz ZDDFMDIDRMQNSB-UWVGGRQHSA-N 1 0 235.349 0.336 20 30 BCEDRO CN(C(=O)[C@H]1C[NH2+]CCO1)[C@H]1CCC[C@@H]1C#N ZINC000602597358 385809270 /nfs/dbraw/zinc/80/92/70/385809270.db2.gz BDUSNMZDZFZISW-OUAUKWLOSA-N 1 0 237.303 0.125 20 30 BCEDRO CCC[NH+]1CCN(c2nccc(C#N)n2)CC1 ZINC000231896230 385857015 /nfs/dbraw/zinc/85/70/15/385857015.db2.gz SAMJZWMIXWXSQL-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C[C@H](O)C[NH+]1CCN(CC2(CC#N)CC2)CC1 ZINC000602772782 385820087 /nfs/dbraw/zinc/82/00/87/385820087.db2.gz KGGGQRNVVAKVAH-LBPRGKRZSA-N 1 0 237.347 0.679 20 30 BCEDRO C[C@@H]1OCC[C@H]1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000602853312 385827242 /nfs/dbraw/zinc/82/72/42/385827242.db2.gz XFQKVFFNGABNRU-SDDRHHMPSA-N 1 0 224.304 0.762 20 30 BCEDRO C=CCn1cc(C(=O)N2CCC[C@@H]2C[NH3+])nn1 ZINC000647845825 385888086 /nfs/dbraw/zinc/88/80/86/385888086.db2.gz YIADKQPYHCIWMC-SECBINFHSA-N 1 0 235.291 0.027 20 30 BCEDRO C#CC[NH+]1CCC2(CC(C(=O)OC)=NO2)CC1 ZINC000185095829 533151693 /nfs/dbraw/zinc/15/16/93/533151693.db2.gz FXBGJPDPQSZLKL-UHFFFAOYSA-N 1 0 236.271 0.404 20 30 BCEDRO C=CCn1cc(C(=O)N2CCC[C@H]2C[NH2+]C)nn1 ZINC000647858613 385914420 /nfs/dbraw/zinc/91/44/20/385914420.db2.gz JTWCIGQHBCNAEI-JTQLQIEISA-N 1 0 249.318 0.288 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[NH+](C)C ZINC000425850808 385915888 /nfs/dbraw/zinc/91/58/88/385915888.db2.gz GOWWOMGOLYXPJL-QWRGUYRKSA-N 1 0 241.335 0.438 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCCNC(=O)C1 ZINC000308782387 385860026 /nfs/dbraw/zinc/86/00/26/385860026.db2.gz DHVZWRZTQCZMHX-JTQLQIEISA-N 1 0 212.293 0.447 20 30 BCEDRO C[N@H+]1CC=C(CNC(=O)NCCCC#N)CC1 ZINC000273325981 385988253 /nfs/dbraw/zinc/98/82/53/385988253.db2.gz XSZNARFZNJJVBI-UHFFFAOYSA-N 1 0 236.319 0.851 20 30 BCEDRO COCC#CC[N@@H+]1C[C@H](C)C[C@@H](CO)C1 ZINC000643253736 385990041 /nfs/dbraw/zinc/99/00/41/385990041.db2.gz MMDMFAUPQMPDJL-VXGBXAGGSA-N 1 0 211.305 0.587 20 30 BCEDRO COCC#CC[N@@H+]1C[C@H](C)C[C@H](CO)C1 ZINC000643253733 385990503 /nfs/dbraw/zinc/99/05/03/385990503.db2.gz MMDMFAUPQMPDJL-NEPJUHHUSA-N 1 0 211.305 0.587 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](C(=O)NC)C1 ZINC000643254628 385991762 /nfs/dbraw/zinc/99/17/62/385991762.db2.gz SYOMAZCTYUNQMD-WDEREUQCSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCN1CCC[N@@H+](CCCOC)CC1 ZINC000370171511 533153741 /nfs/dbraw/zinc/15/37/41/533153741.db2.gz YRONODSKTVTWRE-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](n2cc(C(=O)OC)nn2)C1 ZINC000368841030 533154511 /nfs/dbraw/zinc/15/45/11/533154511.db2.gz CNHYMVBDNHNFRF-SNVBAGLBSA-N 1 0 248.286 0.335 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@](C)(O)C1 ZINC000124201217 386000480 /nfs/dbraw/zinc/00/04/80/386000480.db2.gz NHAKZIULTNKHQR-NSHDSACASA-N 1 0 212.293 0.135 20 30 BCEDRO C#CCC[N@H+]1CCCN(CC(=O)N(C)C)CC1 ZINC000366887988 386002131 /nfs/dbraw/zinc/00/21/31/386002131.db2.gz REUXUEOGKPLXIH-UHFFFAOYSA-N 1 0 237.347 0.106 20 30 BCEDRO CC#CCN1CC[N@H+](C[C@@H](C)O)C[C@@H]1C ZINC000189574624 386022982 /nfs/dbraw/zinc/02/29/82/386022982.db2.gz AVODBDAZNCGABV-NWDGAFQWSA-N 1 0 210.321 0.397 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@H](O)[C@H](C)C1 ZINC000164644950 386174809 /nfs/dbraw/zinc/17/48/09/386174809.db2.gz NRWWKUPDQUEPAU-VWYCJHECSA-N 1 0 226.320 0.380 20 30 BCEDRO C#CC[N@@H+]1CCOC2(CCOCC2)CC1 ZINC000372204481 533159439 /nfs/dbraw/zinc/15/94/39/533159439.db2.gz KCMUIOVHSMCOCB-UHFFFAOYSA-N 1 0 209.289 0.891 20 30 BCEDRO CNC(=O)[C@@H]1CCC[C@@H]1[NH2+]C[C@H](C#N)CCC#N ZINC000345871271 386138270 /nfs/dbraw/zinc/13/82/70/386138270.db2.gz BFCXAKLNVSDPGI-TUAOUCFPSA-N 1 0 248.330 0.934 20 30 BCEDRO C=CCCS(=O)(=O)NCC([NH3+])(CC)CC ZINC000124769934 386141070 /nfs/dbraw/zinc/14/10/70/386141070.db2.gz YOMJXDWCJAOGIP-UHFFFAOYSA-N 1 0 234.365 0.999 20 30 BCEDRO C=CCCC[C@@H](C)[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000451637597 386207609 /nfs/dbraw/zinc/20/76/09/386207609.db2.gz XKRSQWQVKNKEKK-MXWKQRLJSA-N 1 0 236.315 0.936 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCn1cccn1 ZINC000264118488 386210213 /nfs/dbraw/zinc/21/02/13/386210213.db2.gz QOKKRPGLELVYLB-UHFFFAOYSA-N 1 0 221.308 0.754 20 30 BCEDRO CNC(=[NH2+])NCc1ccc([C@H](C)O)cc1 ZINC000264117737 386210238 /nfs/dbraw/zinc/21/02/38/386210238.db2.gz TWUSBTJTDYLTQJ-QMMMGPOBSA-N 1 0 207.277 0.774 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](CNC(=O)[C@@H](C)C#N)C1 ZINC000347031201 386222629 /nfs/dbraw/zinc/22/26/29/386222629.db2.gz DYDARVURFJWKGE-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO CO[C@H]1CCN(CC(=O)NC2(C#N)CCC2)C1 ZINC000347045909 386229862 /nfs/dbraw/zinc/22/98/62/386229862.db2.gz GSUPVUGDKNRTTP-JTQLQIEISA-N 1 0 237.303 0.270 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@H](C)C#N)CC1 ZINC000347127628 386236934 /nfs/dbraw/zinc/23/69/34/386236934.db2.gz FBQQPPLNMUMEIY-SNVBAGLBSA-N 1 0 221.304 0.913 20 30 BCEDRO CC[N@H+](C)CCNC(=O)c1cnccc1C#N ZINC000358651902 386246833 /nfs/dbraw/zinc/24/68/33/386246833.db2.gz ODJNZVUORGBMCV-UHFFFAOYSA-N 1 0 232.287 0.635 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)OC[C@H]1C ZINC000293411603 533163304 /nfs/dbraw/zinc/16/33/04/533163304.db2.gz IEEIOCDDXIXJBF-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO C[C@@H]1CN(CC2(C#N)CC2)CC[N@@H+]1CCO ZINC000408352665 386198647 /nfs/dbraw/zinc/19/86/47/386198647.db2.gz SYNLAJYYCVCDLH-LLVKDONJSA-N 1 0 223.320 0.289 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](CO)CC1 ZINC000393960289 386288191 /nfs/dbraw/zinc/28/81/91/386288191.db2.gz NJIPPPAKHFUWQK-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)N(C)CCC[NH+]1CCCC1 ZINC000281093714 533165883 /nfs/dbraw/zinc/16/58/83/533165883.db2.gz VPVKVWMIGPWQHH-UHFFFAOYSA-N 1 0 223.320 0.747 20 30 BCEDRO C=CCNC(=O)NC[C@H]1CCC[C@@H]([NH3+])C1 ZINC000416442311 386318105 /nfs/dbraw/zinc/31/81/05/386318105.db2.gz XAMOWKYWKNVHTR-VHSXEESVSA-N 1 0 211.309 0.989 20 30 BCEDRO CC(C)N(CC[NH+](C)C)S(=O)(=O)[C@H](C)C#N ZINC000416440726 386318396 /nfs/dbraw/zinc/31/83/96/386318396.db2.gz TUQROJBJXJAUMG-SNVBAGLBSA-N 1 0 247.364 0.500 20 30 BCEDRO N#CCCC[N@@H+]1CC[C@@H](c2nnc[nH]2)C1 ZINC000425527871 386318861 /nfs/dbraw/zinc/31/88/61/386318861.db2.gz BIIGXMWWBKVAPL-SECBINFHSA-N 1 0 205.265 0.898 20 30 BCEDRO C=CCNC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@H]1C ZINC000416445971 386320970 /nfs/dbraw/zinc/32/09/70/386320970.db2.gz NPOZDKQQNIQKBF-DTWKUNHWSA-N 1 0 227.308 0.585 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NCC1([NH+](C)C)CC1 ZINC000416305308 386267551 /nfs/dbraw/zinc/26/75/51/386267551.db2.gz AVJPXZCCXQFYIT-NSHDSACASA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCNC(=O)N1CC[C@H](C2CC[NH+](C)CC2)C1 ZINC000378280723 533169613 /nfs/dbraw/zinc/16/96/13/533169613.db2.gz NROVNRSPYHCPGY-ZDUSSCGKSA-N 1 0 249.358 0.993 20 30 BCEDRO N#CCSCCC[NH+]1[C@@H](CO)CC[C@@H]1CO ZINC000347310243 386351409 /nfs/dbraw/zinc/35/14/09/386351409.db2.gz MCBBJBLIEWKEKP-GHMZBOCLSA-N 1 0 244.360 0.451 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC=C(C)C1 ZINC000280926455 386358760 /nfs/dbraw/zinc/35/87/60/386358760.db2.gz UOOBSTJQMIPKEX-LLVKDONJSA-N 1 0 206.289 0.776 20 30 BCEDRO CN(C[C@H]1CCC[N@H+](C)C1)C(=O)NCCC#N ZINC000408364512 386363153 /nfs/dbraw/zinc/36/31/53/386363153.db2.gz CMZGOGUVUPUZAP-NSHDSACASA-N 1 0 238.335 0.883 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC1=CC[N@H+](C)CC1 ZINC000280644400 386367640 /nfs/dbraw/zinc/36/76/40/386367640.db2.gz VGEWBUWCTCMDLS-UHFFFAOYSA-N 1 0 244.360 0.744 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2[C@@H](CCC[N@H+]2C)C1 ZINC000247981675 533167947 /nfs/dbraw/zinc/16/79/47/533167947.db2.gz MYLRDEWIJRHEJP-NWDGAFQWSA-N 1 0 235.331 0.745 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2[C@H](CCC[N@H+]2C)C1 ZINC000247981679 533169836 /nfs/dbraw/zinc/16/98/36/533169836.db2.gz MYLRDEWIJRHEJP-VXGBXAGGSA-N 1 0 235.331 0.745 20 30 BCEDRO C#CCNC(=O)NC1CC[NH+](C(C)C)CC1 ZINC000298591602 533170512 /nfs/dbraw/zinc/17/05/12/533170512.db2.gz UFWQFIVSNLGPMZ-UHFFFAOYSA-N 1 0 223.320 0.792 20 30 BCEDRO C=CCn1cc(CN[C@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000519425051 386443336 /nfs/dbraw/zinc/44/33/36/386443336.db2.gz HBMWHRRCGPMCPN-QWRGUYRKSA-N 1 0 235.335 0.824 20 30 BCEDRO C[C@@H]1C[C@@H](NC(=O)NCCC#N)C[N@@H+]1C1CC1 ZINC000408366458 386398071 /nfs/dbraw/zinc/39/80/71/386398071.db2.gz OLCOQEQGZNZEKL-NXEZZACHSA-N 1 0 236.319 0.824 20 30 BCEDRO C#CCNC(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000375918811 533171479 /nfs/dbraw/zinc/17/14/79/533171479.db2.gz LDEMYWWXXOZUHZ-UHFFFAOYSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCNC(=O)NCC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000377442516 533171683 /nfs/dbraw/zinc/17/16/83/533171683.db2.gz GBJPIUCIXWGBRM-YOGCLGLASA-N 1 0 235.331 0.792 20 30 BCEDRO [NH3+]CCNC(=O)NCC#Cc1ccccc1 ZINC000416939006 386424609 /nfs/dbraw/zinc/42/46/09/386424609.db2.gz CBDRNFJPCISHQV-UHFFFAOYSA-N 1 0 217.272 0.296 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000248428344 386482641 /nfs/dbraw/zinc/48/26/41/386482641.db2.gz ASLHXZMVZCRYNN-QWRGUYRKSA-N 1 0 236.319 0.636 20 30 BCEDRO C=CCC[C@H](CC)[NH2+]CCS(=O)(=O)NC ZINC000187174449 386484001 /nfs/dbraw/zinc/48/40/01/386484001.db2.gz YNRIPIIRSRDFHB-JTQLQIEISA-N 1 0 234.365 0.870 20 30 BCEDRO C=CCSCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417348899 386487748 /nfs/dbraw/zinc/48/77/48/386487748.db2.gz ZBGUFYDQFPFZHJ-DTWKUNHWSA-N 1 0 231.365 0.941 20 30 BCEDRO C=CCCC[N@H+]1C[C@@H](C)O[C@H](C(N)=O)C1 ZINC000122627669 386510044 /nfs/dbraw/zinc/51/00/44/386510044.db2.gz DITKDYJHUNHIBQ-ZJUUUORDSA-N 1 0 212.293 0.527 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](CCCC)CC(N)=O ZINC000122862453 386519752 /nfs/dbraw/zinc/51/97/52/386519752.db2.gz WSGSBLCXJKEFNE-LLVKDONJSA-N 1 0 228.336 0.901 20 30 BCEDRO CCNC(=O)C[NH2+]Cc1cccc(C#N)c1 ZINC000035142097 386462772 /nfs/dbraw/zinc/46/27/72/386462772.db2.gz DBNOHJQWXVRUCO-UHFFFAOYSA-N 1 0 217.272 0.784 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CC[C@@H](CO)[C@@H](O)C2)cc1 ZINC000572038236 386464635 /nfs/dbraw/zinc/46/46/35/386464635.db2.gz IPMTWRMWMONKJR-KBPBESRZSA-N 1 0 246.310 0.733 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1CC#CCOC ZINC000644938561 386626038 /nfs/dbraw/zinc/62/60/38/386626038.db2.gz QPKPLBYTATWYKS-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](C)[C@@H]1C ZINC000292758695 386642659 /nfs/dbraw/zinc/64/26/59/386642659.db2.gz IRIGFTJPTOIPGL-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](OC)C1 ZINC000292994327 386648418 /nfs/dbraw/zinc/64/84/18/386648418.db2.gz GGKSPMKDIJRNOL-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO CCn1nncc1C(=O)NCC1=CC[N@H+](C)CC1 ZINC000328953666 386653262 /nfs/dbraw/zinc/65/32/62/386653262.db2.gz IGSPOVNNWLPHCP-UHFFFAOYSA-N 1 0 249.318 0.865 20 30 BCEDRO O=C(NCC[NH+]1CCC1)NC[C@@H]1CCCCO1 ZINC000328657995 386604560 /nfs/dbraw/zinc/60/45/60/386604560.db2.gz QEVCWRLCDMFOTE-NSHDSACASA-N 1 0 241.335 0.765 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2COC[C@H]2n2ccnn2)C1 ZINC000328985840 386668713 /nfs/dbraw/zinc/66/87/13/386668713.db2.gz ZVBMJWXWNLJWFQ-WISYIIOYSA-N 1 0 247.302 0.500 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CC[C@H]([NH3+])C1 ZINC000050242770 386687858 /nfs/dbraw/zinc/68/78/58/386687858.db2.gz UICNXJZBYVCYCP-NSHDSACASA-N 1 0 223.320 0.220 20 30 BCEDRO C=CCOCC[NH+]1CCC(NC(C)=O)CC1 ZINC000645081467 386708437 /nfs/dbraw/zinc/70/84/37/386708437.db2.gz YIOKOTCEOKWUMT-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO CCN(CCO)C(=O)N[C@H]1CCC[N@H+](CC)C1 ZINC000330484087 386732790 /nfs/dbraw/zinc/73/27/90/386732790.db2.gz WQNHWIJHCKWVTC-NSHDSACASA-N 1 0 243.351 0.699 20 30 BCEDRO C=CCOCC[N@H+](CC(N)=O)C(C)(C)C ZINC000292718167 386715109 /nfs/dbraw/zinc/71/51/09/386715109.db2.gz FOLFYLNMPNQDKL-UHFFFAOYSA-N 1 0 214.309 0.775 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NC(=O)NCCC(N)=O)C1 ZINC000330464231 386721345 /nfs/dbraw/zinc/72/13/45/386721345.db2.gz ORVNZQPXDNOPLS-VIFPVBQESA-N 1 0 242.323 0.900 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]CCN1CCCC1=O ZINC000405430445 386728709 /nfs/dbraw/zinc/72/87/09/386728709.db2.gz JUDIZCUAWUJDIV-JTQLQIEISA-N 1 0 209.293 0.891 20 30 BCEDRO CN(C)C(=[NH2+])N[C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000124988305 386752968 /nfs/dbraw/zinc/75/29/68/386752968.db2.gz WMIKREOUEBDPQE-BBBLOLIVSA-N 1 0 223.320 0.820 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000166223868 386764396 /nfs/dbraw/zinc/76/43/96/386764396.db2.gz IKNWPIRIOVCHPZ-OUAUKWLOSA-N 1 0 225.336 0.346 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)NCCCCC#N ZINC000330605930 386783085 /nfs/dbraw/zinc/78/30/85/386783085.db2.gz ZMFGKJAARPXVNI-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C[N@H+](CCCSCC#N)[C@@H]1COC[C@H]1O ZINC000330618480 386819180 /nfs/dbraw/zinc/81/91/80/386819180.db2.gz YFXAUONEOLLGLH-NXEZZACHSA-N 1 0 230.333 0.325 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CC(=O)NCC2CC2)C1 ZINC000336672755 386821518 /nfs/dbraw/zinc/82/15/18/386821518.db2.gz JBADETRSKDTEPZ-QWRGUYRKSA-N 1 0 221.304 0.794 20 30 BCEDRO COC[C@H](C[NH2+]Cc1cc(C#N)n(C)c1)OC ZINC000276641449 386805721 /nfs/dbraw/zinc/80/57/21/386805721.db2.gz QSPXRSDUERZXHC-LBPRGKRZSA-N 1 0 237.303 0.648 20 30 BCEDRO CC[C@H](CO)NC(=O)NC[C@H]1CCC[N@@H+]1C ZINC000330654880 386812771 /nfs/dbraw/zinc/81/27/71/386812771.db2.gz KKFUDRKDLNWZDX-NXEZZACHSA-N 1 0 229.324 0.355 20 30 BCEDRO COC(=O)CC[N@@H+]1CCN(CCC#N)[C@@H](C)C1 ZINC000330696937 386834611 /nfs/dbraw/zinc/83/46/11/386834611.db2.gz DWFLSQPTOCXPDN-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1ccn(C)n1 ZINC000321402059 386903399 /nfs/dbraw/zinc/90/33/99/386903399.db2.gz IERFJRPCPSPVRE-NSHDSACASA-N 1 0 209.293 0.837 20 30 BCEDRO C[NH2+]C[C@H](C)CNC(=O)N[C@H]1CCC[C@H]1C#N ZINC000418012859 386907238 /nfs/dbraw/zinc/90/72/38/386907238.db2.gz MOQYGAWJOZWZGU-DCAQKATOSA-N 1 0 238.335 0.833 20 30 BCEDRO C=C(C)COCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000417887385 386943831 /nfs/dbraw/zinc/94/38/31/386943831.db2.gz KOSKAYZCCXMANN-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000417889606 386959583 /nfs/dbraw/zinc/95/95/83/386959583.db2.gz NKLYRCGBOAJPGC-LLVKDONJSA-N 1 0 241.335 0.616 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CC[C@@H]1SC ZINC000425359255 386978322 /nfs/dbraw/zinc/97/83/22/386978322.db2.gz RQVDEWZNVQBERT-IUCAKERBSA-N 1 0 214.334 0.772 20 30 BCEDRO C=CCN(C)C(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000334954315 387032332 /nfs/dbraw/zinc/03/23/32/387032332.db2.gz ZVUREBQFBCPIRJ-UWVGGRQHSA-N 1 0 211.309 0.812 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@](C)(O)C2)C1=O ZINC000334966273 387048971 /nfs/dbraw/zinc/04/89/71/387048971.db2.gz YXPHHDKBDBZAGA-YPMHNXCESA-N 1 0 238.331 0.620 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CC[NH2+][C@@H](C)C1 ZINC000418036087 387062885 /nfs/dbraw/zinc/06/28/85/387062885.db2.gz VNCORNMEFUCYRZ-WDEREUQCSA-N 1 0 223.320 0.840 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000417897219 387013524 /nfs/dbraw/zinc/01/35/24/387013524.db2.gz XKXXGQDXYYCEIF-ZJUUUORDSA-N 1 0 229.324 0.614 20 30 BCEDRO C=C(C)CN(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000334937959 387014710 /nfs/dbraw/zinc/01/47/10/387014710.db2.gz NQWRVLREOAUEJR-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCn1cc(C(=O)NCC[NH2+]CCC)nn1 ZINC000648105527 387025340 /nfs/dbraw/zinc/02/53/40/387025340.db2.gz GNOCAIJNXBWOMM-UHFFFAOYSA-N 1 0 237.307 0.194 20 30 BCEDRO CCN1C[C@H](Nc2cc(C)ncc2C#N)CC1=O ZINC000399580270 387027092 /nfs/dbraw/zinc/02/70/92/387027092.db2.gz NGQILJZKJVLZRZ-LLVKDONJSA-N 1 0 244.298 0.716 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[NH2+][C@@H](C)C2)C1=O ZINC000334998121 387091075 /nfs/dbraw/zinc/09/10/75/387091075.db2.gz KJTFDUWWRVMKOG-WDEREUQCSA-N 1 0 223.320 0.067 20 30 BCEDRO C[C@@H]1C[NH2+][C@@H](C)CN1C(=O)NCCCC#N ZINC000334951008 387114426 /nfs/dbraw/zinc/11/44/26/387114426.db2.gz PGKNABPCMCTQFQ-VHSXEESVSA-N 1 0 224.308 0.682 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)NCC1C[NH2+]C1 ZINC000418149698 387179433 /nfs/dbraw/zinc/17/94/33/387179433.db2.gz PVWGVMHKNKEPRL-SNVBAGLBSA-N 1 0 211.309 0.860 20 30 BCEDRO C=CCCCC(=O)N1CCCO[C@H](C[NH3+])C1 ZINC000572036391 387223472 /nfs/dbraw/zinc/22/34/72/387223472.db2.gz PULYNCCITTZVPM-LLVKDONJSA-N 1 0 226.320 0.919 20 30 BCEDRO C=C[C@@H](CO)[NH2+]Cc1cnc2n[nH]c(C)c2c1 ZINC000352482207 387249118 /nfs/dbraw/zinc/24/91/18/387249118.db2.gz SKFXGYLFAIIXMM-JTQLQIEISA-N 1 0 232.287 0.903 20 30 BCEDRO CNS(=O)(=O)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193330443 387199822 /nfs/dbraw/zinc/19/98/22/387199822.db2.gz LHNKJHDSOVWDPI-VHSXEESVSA-N 1 0 245.348 0.208 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000336484391 387311633 /nfs/dbraw/zinc/31/16/33/387311633.db2.gz FKSZPMYUEFAZBV-VXGBXAGGSA-N 1 0 248.330 0.802 20 30 BCEDRO CSC[C@@H](C)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000514933816 387315666 /nfs/dbraw/zinc/31/56/66/387315666.db2.gz ZSEMFTOKTOUEQY-GHMZBOCLSA-N 1 0 245.392 0.534 20 30 BCEDRO CSC[C@H](C)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000514933818 387316242 /nfs/dbraw/zinc/31/62/42/387316242.db2.gz ZSEMFTOKTOUEQY-QWRGUYRKSA-N 1 0 245.392 0.534 20 30 BCEDRO Cc1ccnc(NC[C@@](C)(O)C[NH+](C)C)c1C#N ZINC000230083528 387260408 /nfs/dbraw/zinc/26/04/08/387260408.db2.gz ZPMVOCXZWAIRPO-CYBMUJFWSA-N 1 0 248.330 0.986 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CCC[NH2+]CC2)nn1 ZINC000648120152 387266636 /nfs/dbraw/zinc/26/66/36/387266636.db2.gz PSGAOUDCWBWZAP-JTQLQIEISA-N 1 0 249.318 0.336 20 30 BCEDRO C[C@@H](CCC#N)[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000514733253 387282643 /nfs/dbraw/zinc/28/26/43/387282643.db2.gz HNIFHDUGDMVIOE-ONGXEEELSA-N 1 0 222.292 0.735 20 30 BCEDRO C=CCN(CCOC)C(=O)NC[C@H]1CCC[NH2+]1 ZINC000418377199 387287548 /nfs/dbraw/zinc/28/75/48/387287548.db2.gz UZCLILKJPZKUHF-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO COC[C@](C)([NH3+])CNc1cccc(C#N)n1 ZINC000270067193 387299973 /nfs/dbraw/zinc/29/99/73/387299973.db2.gz QRYWQSZQGCTCQK-LLVKDONJSA-N 1 0 220.276 0.729 20 30 BCEDRO N#Cc1cnccc1N1CCC([NH2+]CCO)CC1 ZINC000548162308 387325291 /nfs/dbraw/zinc/32/52/91/387325291.db2.gz SNXOMJWSORQNTF-UHFFFAOYSA-N 1 0 246.314 0.504 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000262117074 387342879 /nfs/dbraw/zinc/34/28/79/387342879.db2.gz VZZMTPFHWMYTOR-MWLCHTKSSA-N 1 0 226.320 0.821 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@H]([NH3+])C1CCOCC1 ZINC000262117066 387342944 /nfs/dbraw/zinc/34/29/44/387342944.db2.gz VZZMTPFHWMYTOR-GXSJLCMTSA-N 1 0 226.320 0.821 20 30 BCEDRO Cn1cc(C[N@@H+]2CC[C@@H](C(N)=O)C2)cc1C#N ZINC000191157781 387349403 /nfs/dbraw/zinc/34/94/03/387349403.db2.gz KUALVWWQESUEQC-SNVBAGLBSA-N 1 0 232.287 0.204 20 30 BCEDRO C[C@H]([NH3+])C(=O)NCc1ccc(CC#N)cc1 ZINC000515848367 387435106 /nfs/dbraw/zinc/43/51/06/387435106.db2.gz GZCDTUGVHUGZLX-VIFPVBQESA-N 1 0 217.272 0.716 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000515867259 387436615 /nfs/dbraw/zinc/43/66/15/387436615.db2.gz JWTHRCOSAKMHRZ-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO N#CC1(CNC(=O)N2C[C@H]3CCC[C@@H](C2)[NH2+]3)CC1 ZINC000516025566 387446823 /nfs/dbraw/zinc/44/68/23/387446823.db2.gz IWBUSEYLOCJZRD-PHIMTYICSA-N 1 0 248.330 0.826 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NC1(C#N)CCC1)c1cn[nH]c1 ZINC000526136009 387448421 /nfs/dbraw/zinc/44/84/21/387448421.db2.gz ISOOCCSLXDVLCV-SECBINFHSA-N 1 0 247.302 0.623 20 30 BCEDRO C=CCOCCCC(=O)N1C[C@@H](C)[C@H]([NH3+])C1 ZINC000423958413 387449348 /nfs/dbraw/zinc/44/93/48/387449348.db2.gz DLLMELUKMHMNDH-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NCC[NH+](CC)CC ZINC000273365383 387456515 /nfs/dbraw/zinc/45/65/15/387456515.db2.gz BSIAVYVDKNYBSX-NSHDSACASA-N 1 0 243.351 0.564 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@H]1CCC[N@H+]1C ZINC000273533074 387460379 /nfs/dbraw/zinc/46/03/79/387460379.db2.gz WSQCABVTNJILNK-NXEZZACHSA-N 1 0 212.293 0.134 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](COC)C1 ZINC000265801042 387399963 /nfs/dbraw/zinc/39/99/63/387399963.db2.gz OAQJXKFKSJNZSZ-WDEREUQCSA-N 1 0 224.304 0.093 20 30 BCEDRO C#CCN1CCC(O)(C(=O)OCC)CC1 ZINC000267374278 387409717 /nfs/dbraw/zinc/40/97/17/387409717.db2.gz FIOZINSJIKYTPM-UHFFFAOYSA-N 1 0 211.261 0.010 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCOC1 ZINC000267445399 387411238 /nfs/dbraw/zinc/41/12/38/387411238.db2.gz PYYHKMWKDXMXKF-GHMZBOCLSA-N 1 0 224.304 0.093 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)NCC2(C#N)CC2)C1 ZINC000515682140 387411588 /nfs/dbraw/zinc/41/15/88/387411588.db2.gz TXYNBGPEZJYKLP-VIFPVBQESA-N 1 0 207.277 0.358 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000354717720 387421538 /nfs/dbraw/zinc/42/15/38/387421538.db2.gz ZAJWLKIMNALLAA-NEPJUHHUSA-N 1 0 239.319 0.109 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[N@H+](C)C1CC1 ZINC000274870353 387495499 /nfs/dbraw/zinc/49/54/99/387495499.db2.gz ZDHHTJHTZPXELA-VIFPVBQESA-N 1 0 209.293 0.402 20 30 BCEDRO C=C(C)CNC(=O)NC[C@H]1C[N@@H+](C)CCN1C ZINC000274984125 387498718 /nfs/dbraw/zinc/49/87/18/387498718.db2.gz BVGZIYUERAUVCM-NSHDSACASA-N 1 0 240.351 0.108 20 30 BCEDRO C#CC[N@H+]1CC[C@H](C(=O)NCC(F)(F)F)C1 ZINC000275086014 387500878 /nfs/dbraw/zinc/50/08/78/387500878.db2.gz GFDMUJHMNDEZOR-QMMMGPOBSA-N 1 0 234.221 0.620 20 30 BCEDRO C=C(C)CC[N@H+]1CCC[C@H](O)[C@@H]1C(=O)OC ZINC000275679329 387512960 /nfs/dbraw/zinc/51/29/60/387512960.db2.gz ZSLJWEHLJTVNNC-WDEREUQCSA-N 1 0 227.304 0.951 20 30 BCEDRO C#CC[N@@H+](C)C[C@H]1CC(C(=O)OC)=C(C)O1 ZINC000276887569 387525250 /nfs/dbraw/zinc/52/52/50/387525250.db2.gz BQJOOEKOMMGXCR-SNVBAGLBSA-N 1 0 223.272 0.787 20 30 BCEDRO COC[C@@H](C)CNC(=O)[C@H]([NH3+])CCCC#N ZINC000424108434 387528896 /nfs/dbraw/zinc/52/88/96/387528896.db2.gz QQMQRYIBATUYST-VHSXEESVSA-N 1 0 227.308 0.406 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCOC[C@@H]1C ZINC000277625536 387538004 /nfs/dbraw/zinc/53/80/04/387538004.db2.gz BVEYMNFVGOWTDY-DCAQKATOSA-N 1 0 224.304 0.139 20 30 BCEDRO CC#CCC[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000274203340 387466478 /nfs/dbraw/zinc/46/64/78/387466478.db2.gz UVMIAYISNFNNRM-UHFFFAOYSA-N 1 0 225.288 0.400 20 30 BCEDRO C=CCCn1cc(C(=O)N2CC[NH2+]C[C@H]2C)nn1 ZINC000424058350 387471708 /nfs/dbraw/zinc/47/17/08/387471708.db2.gz KURFFAAXIGBAOZ-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH2+]C[C@@H]1C ZINC000424059486 387472960 /nfs/dbraw/zinc/47/29/60/387472960.db2.gz NIPOGPFGHSFWGH-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C(C)CC[NH+]1CCN(C(=O)[C@@H](C)O)CC1 ZINC000274808861 387476807 /nfs/dbraw/zinc/47/68/07/387476807.db2.gz HGCCTNMFVRBEPQ-LLVKDONJSA-N 1 0 226.320 0.478 20 30 BCEDRO COCCN(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424077229 387480784 /nfs/dbraw/zinc/48/07/84/387480784.db2.gz AWEMUCXXRQAHAP-VIFPVBQESA-N 1 0 213.281 0.112 20 30 BCEDRO C=CCCn1cc(C(=O)N2CC[NH2+][C@H](C)C2)nn1 ZINC000424081005 387481999 /nfs/dbraw/zinc/48/19/99/387481999.db2.gz USBRRMFBPVTVSM-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO C=C(C)CC[NH+]1CCN(C(=O)COC)CC1 ZINC000274730292 387492080 /nfs/dbraw/zinc/49/20/80/387492080.db2.gz BSEMIINUNXIJQA-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO CNC(=O)[C@@]1(C)CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000430270577 387605448 /nfs/dbraw/zinc/60/54/48/387605448.db2.gz RYSGNHHXTOCNGA-YPMHNXCESA-N 1 0 248.330 0.888 20 30 BCEDRO CO[C@@H](CNC(=O)[C@H]([NH3+])CCCC#N)C(C)C ZINC000424116544 387559285 /nfs/dbraw/zinc/55/92/85/387559285.db2.gz AHELUDBFJLTYBK-MNOVXSKESA-N 1 0 241.335 0.795 20 30 BCEDRO C[NH+](C)CCNC(=O)COc1ccc(C#N)cc1 ZINC000019511014 387559684 /nfs/dbraw/zinc/55/96/84/387559684.db2.gz BPGVJGOLLOYUNV-UHFFFAOYSA-N 1 0 247.298 0.615 20 30 BCEDRO COCC(C)(C)C[NH+]1CCN(CC#N)CC1 ZINC000426410336 387566804 /nfs/dbraw/zinc/56/68/04/387566804.db2.gz LLVWZSFGKYDNOL-UHFFFAOYSA-N 1 0 225.336 0.800 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(C(=O)NCCCC#N)C1 ZINC000362072592 387567688 /nfs/dbraw/zinc/56/76/88/387567688.db2.gz OWNJNXOZJVCDOZ-NSHDSACASA-N 1 0 238.335 0.883 20 30 BCEDRO C=CCC[N@@H+]1C[C@](C)(CO)[C@](C)(CO)C1 ZINC000528753416 387569447 /nfs/dbraw/zinc/56/94/47/387569447.db2.gz RUDUZOBOQYZKMN-TXEJJXNPSA-N 1 0 213.321 0.875 20 30 BCEDRO C=CCCS(=O)(=O)NC[C@H](C)[NH+](C)C ZINC000451926788 387681170 /nfs/dbraw/zinc/68/11/70/387681170.db2.gz IENCNQALTGCWSC-VIFPVBQESA-N 1 0 220.338 0.432 20 30 BCEDRO CC(C)[C@H](CCO)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424140279 387688775 /nfs/dbraw/zinc/68/87/75/387688775.db2.gz NYNZWQXOKKXYSZ-MNOVXSKESA-N 1 0 241.335 0.531 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000440935566 387712865 /nfs/dbraw/zinc/71/28/65/387712865.db2.gz WFDCFRPKYNNIRI-GHMZBOCLSA-N 1 0 238.331 0.930 20 30 BCEDRO C=C(C)CC[N@@H+]1CCOC[C@H]1CC(N)=O ZINC000452087528 387727379 /nfs/dbraw/zinc/72/73/79/387727379.db2.gz QRVJRAFPIDNAMG-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H](C)CCOC)nn1 ZINC000424147148 387781799 /nfs/dbraw/zinc/78/17/99/387781799.db2.gz XTMKBPURNWANSF-SNVBAGLBSA-N 1 0 224.308 0.979 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)NCc1ccco1 ZINC000424151297 387792712 /nfs/dbraw/zinc/79/27/12/387792712.db2.gz HKKIFAPWYIMIRH-SNVBAGLBSA-N 1 0 221.260 0.917 20 30 BCEDRO C=C[C@H](C)[NH2+][C@@H]1CCN[C@H]1C(=O)OCC ZINC000422990277 387800318 /nfs/dbraw/zinc/80/03/18/387800318.db2.gz NCDOIXFVCLGXIE-IVZWLZJFSA-N 1 0 212.293 0.444 20 30 BCEDRO CCN(CC(N)=O)Cc1ccc(C#N)cc1OC ZINC000191714839 387806708 /nfs/dbraw/zinc/80/67/08/387806708.db2.gz VYNXTSWIKQDHCD-UHFFFAOYSA-N 1 0 247.298 0.874 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCCC[NH2+]C1CC1 ZINC000418303967 387808098 /nfs/dbraw/zinc/80/80/98/387808098.db2.gz URTUAXADDFDHOV-LLVKDONJSA-N 1 0 241.335 0.365 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+]CCCN2CCOCC2)C1 ZINC000442630943 387810908 /nfs/dbraw/zinc/81/09/08/387810908.db2.gz RWNOLEXKSPTKGY-STQMWFEESA-N 1 0 237.347 0.991 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@@H](C)C[NH3+] ZINC000424155812 387820385 /nfs/dbraw/zinc/82/03/85/387820385.db2.gz LOYUEGWWOCKXBF-AEJSXWLSSA-N 1 0 212.293 0.431 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NCC[NH2+]CC ZINC000418323122 387828461 /nfs/dbraw/zinc/82/84/61/387828461.db2.gz HLEWTVBBFPBHRT-JTQLQIEISA-N 1 0 229.324 0.080 20 30 BCEDRO Cn1cc(C[NH2+]C[C@H]2CC[C@H](CO)O2)cc1C#N ZINC000353718966 387832195 /nfs/dbraw/zinc/83/21/95/387832195.db2.gz ZZDOSUREEDPMKX-CHWSQXEVSA-N 1 0 249.314 0.526 20 30 BCEDRO COC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C1CC1 ZINC000424158128 387833419 /nfs/dbraw/zinc/83/34/19/387833419.db2.gz SGNMUIBVIYXDRE-QWRGUYRKSA-N 1 0 239.319 0.549 20 30 BCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)[C@@H]1CCCOC1 ZINC000353953884 387839712 /nfs/dbraw/zinc/83/97/12/387839712.db2.gz GSSOLENOVYFWGF-WDEREUQCSA-N 1 0 249.318 0.554 20 30 BCEDRO C[C@@H]1[C@H](C)OCCN1C(=O)[C@H]([NH3+])CCCC#N ZINC000424162092 387844970 /nfs/dbraw/zinc/84/49/70/387844970.db2.gz ZFTQSBCPBYOZHE-OUAUKWLOSA-N 1 0 239.319 0.643 20 30 BCEDRO C=CCCn1cc(C(=O)NC[C@H](C)[NH2+]C)nn1 ZINC000424165616 387852269 /nfs/dbraw/zinc/85/22/69/387852269.db2.gz GCOGRWWKZHZXDR-VIFPVBQESA-N 1 0 237.307 0.192 20 30 BCEDRO C=CCn1cc(CNC2CC[NH+](C)CC2)nn1 ZINC000424167888 387857413 /nfs/dbraw/zinc/85/74/13/387857413.db2.gz DPQSDVDAZNXLLO-UHFFFAOYSA-N 1 0 235.335 0.648 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@H](C)[NH2+]C ZINC000424170535 387861661 /nfs/dbraw/zinc/86/16/61/387861661.db2.gz KFHRFZJULDDYRU-AXFHLTTASA-N 1 0 226.320 0.692 20 30 BCEDRO C[C@H]1C[C@@]1(C#N)C(=O)N(C)CC[NH+](C)C ZINC000450025061 387863037 /nfs/dbraw/zinc/86/30/37/387863037.db2.gz RQNFKZXXNRLXDT-ONGXEEELSA-N 1 0 209.293 0.556 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H]2CCO[C@H]2C)nn1 ZINC000424172097 387863774 /nfs/dbraw/zinc/86/37/74/387863774.db2.gz NHYFSDAMPAANLA-ONGXEEELSA-N 1 0 222.292 0.731 20 30 BCEDRO C=CCCC[NH2+][C@H]1CCN[C@@H]1C(=O)OCC ZINC000423090849 387883080 /nfs/dbraw/zinc/88/30/80/387883080.db2.gz YMKURHHGCDLIHN-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC[NH+]1CCCC1 ZINC000448600377 387929282 /nfs/dbraw/zinc/92/92/82/387929282.db2.gz GKHHCZVFBKRSAJ-GFCCVEGCSA-N 1 0 226.320 0.526 20 30 BCEDRO C=CCn1cc(CNC(=O)CC[C@H](C)[NH3+])nn1 ZINC000424208836 387930125 /nfs/dbraw/zinc/93/01/25/387930125.db2.gz KVPRUAZETZWCCV-VIFPVBQESA-N 1 0 237.307 0.208 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CC[C@@H]([NH3+])C1 ZINC000424213339 387931226 /nfs/dbraw/zinc/93/12/26/387931226.db2.gz TYIMLPPDRYRUNQ-KXNHARMFSA-N 1 0 238.331 0.821 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C1CC[NH2+]CC1 ZINC000424212703 387931766 /nfs/dbraw/zinc/93/17/66/387931766.db2.gz QIAQOGMRJOKSEA-RYUDHWBXSA-N 1 0 238.331 0.693 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)c2ccnc(C[NH3+])c2)C1 ZINC000424216175 387933400 /nfs/dbraw/zinc/93/34/00/387933400.db2.gz HZVGSTCRZVJDKJ-GXSJLCMTSA-N 1 0 244.298 0.962 20 30 BCEDRO CCC[C@@H]([NH3+])C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424218565 387935025 /nfs/dbraw/zinc/93/50/25/387935025.db2.gz VBGDFUXKQDEZFA-IVZWLZJFSA-N 1 0 209.293 0.922 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@@H]2C[C@@]23CC[NH2+]C3)C1 ZINC000424217030 387935210 /nfs/dbraw/zinc/93/52/10/387935210.db2.gz KDHSGDJTLXWLKP-SRRSOLGSSA-N 1 0 233.315 0.794 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C[C@H]2CC[NH2+]C2)C1 ZINC000424218368 387935288 /nfs/dbraw/zinc/93/52/88/387935288.db2.gz SRXPGDULGMLNLS-HBNTYKKESA-N 1 0 221.304 0.794 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2CCC[NH2+]2)C1 ZINC000424217864 387935681 /nfs/dbraw/zinc/93/56/81/387935681.db2.gz ORKWONBABHJXLU-IVZWLZJFSA-N 1 0 207.277 0.547 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NCC[NH+]1CCCC1 ZINC000448605396 387945724 /nfs/dbraw/zinc/94/57/24/387945724.db2.gz LGFJUJGIKPZSRF-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@@H](C)[N@@H+]1CC[C@@H](O)C1 ZINC000245501458 387951381 /nfs/dbraw/zinc/95/13/81/387951381.db2.gz ATQASYILKRPARR-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@@](F)(CO)C1 ZINC000338628821 135042652 /nfs/dbraw/zinc/04/26/52/135042652.db2.gz WMLUXHQVURYRNE-NSHDSACASA-N 1 0 217.284 0.985 20 30 BCEDRO C=CCOCCN1CCN(C)C(=O)[C@H]1C ZINC000339099059 135060110 /nfs/dbraw/zinc/06/01/10/135060110.db2.gz JKIPFOOXVPGALP-SNVBAGLBSA-N 1 0 212.293 0.352 20 30 BCEDRO C=CCNC(=O)N1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424409660 388005720 /nfs/dbraw/zinc/00/57/20/388005720.db2.gz HDBBNEWSOWLRQK-WDEREUQCSA-N 1 0 249.318 0.042 20 30 BCEDRO C=CCOCCCC(=O)N1CC[NH2+]CC1 ZINC000159392976 388011290 /nfs/dbraw/zinc/01/12/90/388011290.db2.gz DRWZCFDWZCSZSM-UHFFFAOYSA-N 1 0 212.293 0.401 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCC(F)F)CCO1 ZINC000262434025 135119030 /nfs/dbraw/zinc/11/90/30/135119030.db2.gz FTWQWXRUEBXPRP-LURJTMIESA-N 1 0 207.224 0.287 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[C@H](C)[NH3+] ZINC000424470293 388012068 /nfs/dbraw/zinc/01/20/68/388012068.db2.gz QIVGBWHRRKEBIT-DCAQKATOSA-N 1 0 241.335 0.614 20 30 BCEDRO CC[C@H]([NH3+])CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424466246 388012666 /nfs/dbraw/zinc/01/26/66/388012666.db2.gz KMJPXNYGHWVLHI-LPEHRKFASA-N 1 0 224.308 0.715 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NC[C@@H](C)C[NH3+] ZINC000424457700 388013924 /nfs/dbraw/zinc/01/39/24/388013924.db2.gz AOTPHWSEGCEOQW-DCAQKATOSA-N 1 0 241.335 0.472 20 30 BCEDRO C[N@H+](CC(=O)N[C@](C)(C#N)C1CC1)C1CC1 ZINC000046601846 388034574 /nfs/dbraw/zinc/03/45/74/388034574.db2.gz YLQFFJMNAMJXBV-GFCCVEGCSA-N 1 0 221.304 0.889 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)NCCC[NH3+])C1 ZINC000424484101 388040342 /nfs/dbraw/zinc/04/03/42/388040342.db2.gz ZQNSQRTZXLGTEY-DTWKUNHWSA-N 1 0 210.281 0.327 20 30 BCEDRO CC#CC[NH2+][C@H](CC(N)=O)C1CCOCC1 ZINC000159750487 388029231 /nfs/dbraw/zinc/02/92/31/388029231.db2.gz SUVHDSRSYYSSRE-LLVKDONJSA-N 1 0 224.304 0.270 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)NC[C@H](C)[NH+](C)C ZINC000455428267 388159800 /nfs/dbraw/zinc/15/98/00/388159800.db2.gz HKRINJZEXJXONG-UWVGGRQHSA-N 1 0 229.324 0.173 20 30 BCEDRO C=CCOCCNC(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000646191777 388162200 /nfs/dbraw/zinc/16/22/00/388162200.db2.gz RNQDSYVESJKWMX-UWVGGRQHSA-N 1 0 229.324 0.614 20 30 BCEDRO CC#CCCCC(=O)N[C@@H](CO)C[NH+](C)C ZINC000646208758 388165617 /nfs/dbraw/zinc/16/56/17/388165617.db2.gz IEYQCTUMMXZEQZ-LLVKDONJSA-N 1 0 226.320 0.219 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000646298190 388178333 /nfs/dbraw/zinc/17/83/33/388178333.db2.gz KEDHVZCTFHIBQU-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H]1C[N@@H+](C)C[C@H]1C ZINC000456140578 388180809 /nfs/dbraw/zinc/18/08/09/388180809.db2.gz BMPROCYLIMBNQZ-KXNHARMFSA-N 1 0 238.331 0.644 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)[C@]1(C#N)C[C@@H]1C ZINC000448979041 388124660 /nfs/dbraw/zinc/12/46/60/388124660.db2.gz FQONLKCNQGHZDL-JQWIXIFHSA-N 1 0 223.320 0.993 20 30 BCEDRO C=C[C@H](C)NC(=O)NCC[N@@H+]1CCCOCC1 ZINC000454681942 388129490 /nfs/dbraw/zinc/12/94/90/388129490.db2.gz SPYPRSKVIAZFSB-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C#CC[N@H+](CC)CCn1ccc([N+](=O)[O-])n1 ZINC000490760521 388252663 /nfs/dbraw/zinc/25/26/63/388252663.db2.gz NDCFCIODTHBDON-UHFFFAOYSA-N 1 0 222.248 0.746 20 30 BCEDRO C#CC[N@H+](CC)CCCN1CCOCC1 ZINC000490761743 388253014 /nfs/dbraw/zinc/25/30/14/388253014.db2.gz WDVXFKZWEYXDIS-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO C#CCN(CC)CC(=O)N1C[C@@H](C)O[C@@H](C)C1 ZINC000490780879 388254048 /nfs/dbraw/zinc/25/40/48/388254048.db2.gz SIZBAGWLSREFLT-TXEJJXNPSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CC[N@@H+](CC(C)(C)O)C1CCOCC1 ZINC000490800581 388254712 /nfs/dbraw/zinc/25/47/12/388254712.db2.gz VEUQFOWIYKIAQH-UHFFFAOYSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OCCCOC)CC1 ZINC000490865534 388257074 /nfs/dbraw/zinc/25/70/74/388257074.db2.gz DEEUAUTYRUUOPJ-UHFFFAOYSA-N 1 0 239.315 0.911 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OC[C@H](C)OC)CC1 ZINC000490893206 388258769 /nfs/dbraw/zinc/25/87/69/388258769.db2.gz RWUCMCOKRDITIL-NSHDSACASA-N 1 0 239.315 0.910 20 30 BCEDRO C=CCCCS(=O)(=O)NCC[N@@H+](C)CC ZINC000489262281 388207048 /nfs/dbraw/zinc/20/70/48/388207048.db2.gz ILHQJALVSSCORT-UHFFFAOYSA-N 1 0 234.365 0.824 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@H](CC)[NH+](C)C ZINC000456765098 388218998 /nfs/dbraw/zinc/21/89/98/388218998.db2.gz GIXPWVRBMUGXMD-MNOVXSKESA-N 1 0 228.336 0.770 20 30 BCEDRO C=CCCCS(=O)(=O)N[C@@H](C)C[NH+](C)C ZINC000489875218 388227480 /nfs/dbraw/zinc/22/74/80/388227480.db2.gz QZZHCFPFNKITIY-JTQLQIEISA-N 1 0 234.365 0.822 20 30 BCEDRO C[C@H](CNS(=O)(=O)CCCC#N)C[NH+](C)C ZINC000490040079 388231401 /nfs/dbraw/zinc/23/14/01/388231401.db2.gz MOKQYCJOYUTXAK-SNVBAGLBSA-N 1 0 247.364 0.407 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1COC(=O)c1ccnn1C ZINC000490614532 388243076 /nfs/dbraw/zinc/24/30/76/388243076.db2.gz AESPJYHJGTYXNZ-NSHDSACASA-N 1 0 247.298 0.675 20 30 BCEDRO C=CC[N@@H+](C)CCN1C(=O)N[C@@H](C)C1=O ZINC000459424694 388243903 /nfs/dbraw/zinc/24/39/03/388243903.db2.gz JLDDEUCLPOTKPB-QMMMGPOBSA-N 1 0 211.265 0.045 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@H]1CC[N@H+](C)C1 ZINC000490691542 388247532 /nfs/dbraw/zinc/24/75/32/388247532.db2.gz WTNRDSWKVNYBLF-LBPRGKRZSA-N 1 0 218.300 0.423 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000490691541 388247580 /nfs/dbraw/zinc/24/75/80/388247580.db2.gz WTNRDSWKVNYBLF-GFCCVEGCSA-N 1 0 218.300 0.423 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)NC[C@H]([NH3+])C(C)C ZINC000491267900 388281562 /nfs/dbraw/zinc/28/15/62/388281562.db2.gz WJPNAEXHGOFVBP-QWRGUYRKSA-N 1 0 239.319 0.013 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCC(=O)N(C)CC ZINC000451603972 388283365 /nfs/dbraw/zinc/28/33/65/388283365.db2.gz FDZGKXQRXUYRDZ-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C#C[C@H]1COCCN1C[C@H]1CCCCO1 ZINC000491296453 388283555 /nfs/dbraw/zinc/28/35/55/388283555.db2.gz MDAMITGNNXSRRB-NWDGAFQWSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)CO ZINC000491299476 388283789 /nfs/dbraw/zinc/28/37/89/388283789.db2.gz ZMVPYRGWXAXEDX-JTQLQIEISA-N 1 0 226.320 0.075 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N(C)CC ZINC000451609319 388283834 /nfs/dbraw/zinc/28/38/34/388283834.db2.gz VSILLNHBZIGOEX-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCN1CCOCC1 ZINC000451607790 388283923 /nfs/dbraw/zinc/28/39/23/388283923.db2.gz QPDQPJCFBIVKSM-NEPJUHHUSA-N 1 0 226.320 0.252 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CN2CCOC2=O)C1 ZINC000491299014 388284034 /nfs/dbraw/zinc/28/40/34/388284034.db2.gz XUZAGJMKWIJBQP-SNVBAGLBSA-N 1 0 208.261 0.394 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCN1CCOC[C@@H]1C ZINC000451612149 388284364 /nfs/dbraw/zinc/28/43/64/388284364.db2.gz ZNORKPAGFBOVST-XQQFMLRXSA-N 1 0 240.347 0.640 20 30 BCEDRO C#CC[N@@H+](CCCNS(=O)(=O)CC)C1CC1 ZINC000491309220 388284605 /nfs/dbraw/zinc/28/46/05/388284605.db2.gz XWESGKOJDWLYKD-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NOCC(F)F ZINC000491326144 388285468 /nfs/dbraw/zinc/28/54/68/388285468.db2.gz KKVMITVYAMVBRA-UHFFFAOYSA-N 1 0 249.261 0.437 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H]1CCO[C@H]1CC ZINC000491337477 388286114 /nfs/dbraw/zinc/28/61/14/388286114.db2.gz AOARLMCVQVAWSP-AXFHLTTASA-N 1 0 224.304 0.281 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@@H]2CCC[C@H]2OC)C1=O ZINC000451636991 388286244 /nfs/dbraw/zinc/28/62/44/388286244.db2.gz ZNQFVTQMQWXNIL-IJLUTSLNSA-N 1 0 238.331 0.930 20 30 BCEDRO C#C[C@H](C)N(C)C(=S)NCCC[NH+](C)C ZINC000491362254 388288600 /nfs/dbraw/zinc/28/86/00/388288600.db2.gz QJRLMRBUXLPNDR-JTQLQIEISA-N 1 0 227.377 0.766 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1COCCO1 ZINC000451685992 388289815 /nfs/dbraw/zinc/28/98/15/388289815.db2.gz ZEGLORILKHSFIZ-UTUOFQBUSA-N 1 0 227.304 0.725 20 30 BCEDRO C#CCN(C[C@@H]1C[C@H]1C)[C@@H]1CCS(=O)(=O)C1 ZINC000491384911 388290634 /nfs/dbraw/zinc/29/06/34/388290634.db2.gz QBPJQVYOYCTPLT-GRYCIOLGSA-N 1 0 241.356 0.765 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C(C)C ZINC000491383349 388290962 /nfs/dbraw/zinc/29/09/62/388290962.db2.gz LMGHHIQQBCRICZ-CHWSQXEVSA-N 1 0 237.347 0.440 20 30 BCEDRO C=CCN1C[C@@H](C(=O)OC)N(CC=C)C[C@H]1C ZINC000451702451 388291023 /nfs/dbraw/zinc/29/10/23/388291023.db2.gz SNTKPPKOXGGBBA-NEPJUHHUSA-N 1 0 238.331 0.906 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CN(C)CCC#N)C(C)C ZINC000491383354 388291048 /nfs/dbraw/zinc/29/10/48/388291048.db2.gz LMGHHIQQBCRICZ-STQMWFEESA-N 1 0 237.347 0.440 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000491405410 388292396 /nfs/dbraw/zinc/29/23/96/388292396.db2.gz IPSLDHMIFKRMNE-WDEREUQCSA-N 1 0 240.372 0.904 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](C)N(C)C1CC1 ZINC000491405074 388292610 /nfs/dbraw/zinc/29/26/10/388292610.db2.gz GQGOIXZNYKQJDW-NSHDSACASA-N 1 0 237.347 0.198 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000491405913 388292691 /nfs/dbraw/zinc/29/26/91/388292691.db2.gz LOXMXDAVKIUSDX-VXGBXAGGSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CCN1C(=O)C[C@H]([N@H+]2CC(C)=C[C@@H](C)C2)C1=O ZINC000491427319 388293717 /nfs/dbraw/zinc/29/37/17/388293717.db2.gz KHDOGVWVUMGORO-PWSUYJOCSA-N 1 0 246.310 0.645 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([N@H+]2CC(C)=C[C@H](C)C2)C1=O ZINC000491427317 388294068 /nfs/dbraw/zinc/29/40/68/388294068.db2.gz KHDOGVWVUMGORO-CMPLNLGQSA-N 1 0 246.310 0.645 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[C@@H]1CC[NH2+]C1)C(C)C ZINC000491440603 388294638 /nfs/dbraw/zinc/29/46/38/388294638.db2.gz PUCGZCJENQSUIV-NWDGAFQWSA-N 1 0 237.347 0.943 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000491453913 388295710 /nfs/dbraw/zinc/29/57/10/388295710.db2.gz UKTSRKWHLIAQOL-VXGBXAGGSA-N 1 0 235.283 0.010 20 30 BCEDRO C#C[C@@H](CC)[NH2+][C@H](C)COCC(=O)OC ZINC000491463422 388296149 /nfs/dbraw/zinc/29/61/49/388296149.db2.gz MWXGSVCNRVXODA-ZJUUUORDSA-N 1 0 213.277 0.566 20 30 BCEDRO C#C[C@H](CC)[NH2+][C@@H](C)COCC(=O)OC ZINC000491463421 388296312 /nfs/dbraw/zinc/29/63/12/388296312.db2.gz MWXGSVCNRVXODA-VHSXEESVSA-N 1 0 213.277 0.566 20 30 BCEDRO C#CCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000491473348 388297325 /nfs/dbraw/zinc/29/73/25/388297325.db2.gz CMWCTNNOWHWLMO-JTQLQIEISA-N 1 0 209.293 0.451 20 30 BCEDRO C#CCNC(=O)CCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000491475310 388297540 /nfs/dbraw/zinc/29/75/40/388297540.db2.gz VOWLYHQCXCTHCF-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000491496417 388299025 /nfs/dbraw/zinc/29/90/25/388299025.db2.gz QHMJYEYTKCNTBA-MNOVXSKESA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H](C)C[NH2+]C ZINC000491496777 388299378 /nfs/dbraw/zinc/29/93/78/388299378.db2.gz SWHARWZKSJGTGS-GFCCVEGCSA-N 1 0 235.331 0.510 20 30 BCEDRO C#C[C@@H](C)N(C)Cc1cnn(CCOC)c1 ZINC000491515861 388300493 /nfs/dbraw/zinc/30/04/93/388300493.db2.gz POSRNMCEKFJEMN-LLVKDONJSA-N 1 0 221.304 0.983 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](CC(C)(C)O)C1CC1 ZINC000491523626 388301570 /nfs/dbraw/zinc/30/15/70/388301570.db2.gz GCCBPLXUONRWEV-UHFFFAOYSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCC1(O)CCC1 ZINC000491553564 388303475 /nfs/dbraw/zinc/30/34/75/388303475.db2.gz AWOLSNOHNYBKEI-UHFFFAOYSA-N 1 0 224.304 0.021 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](C)Cc1cnccn1 ZINC000491555038 388303557 /nfs/dbraw/zinc/30/35/57/388303557.db2.gz OEQWIQFWVCZXHX-CYBMUJFWSA-N 1 0 246.358 0.952 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](C)S(C)(=O)=O)C(C)C ZINC000491556077 388303690 /nfs/dbraw/zinc/30/36/90/388303690.db2.gz VXQZXPRXOWJHDO-VHSXEESVSA-N 1 0 217.334 0.667 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H]2OCCC[C@H]12 ZINC000491569034 388304137 /nfs/dbraw/zinc/30/41/37/388304137.db2.gz UFIJSEXUCXQHJT-UTUOFQBUSA-N 1 0 236.315 0.283 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCCCC[NH3+] ZINC000491618859 388305090 /nfs/dbraw/zinc/30/50/90/388305090.db2.gz CYVOGOLDDTXOOS-SNVBAGLBSA-N 1 0 211.309 0.826 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H]1C(C)C ZINC000491618078 388305281 /nfs/dbraw/zinc/30/52/81/388305281.db2.gz DFRVNMRMFRFFGH-WDEREUQCSA-N 1 0 208.305 0.760 20 30 BCEDRO C#CCNC(=O)N[C@@](C)(C[NH3+])CC(C)C ZINC000491626697 388306041 /nfs/dbraw/zinc/30/60/41/388306041.db2.gz MPNROTVXYJDTMG-LLVKDONJSA-N 1 0 211.309 0.682 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@@H](C)C#N ZINC000491642870 388307552 /nfs/dbraw/zinc/30/75/52/388307552.db2.gz CLLVBORURNWCHH-NSHDSACASA-N 1 0 236.319 0.400 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@@H](CC[NH3+])C(F)F)C(C)C ZINC000491643428 388307662 /nfs/dbraw/zinc/30/76/62/388307662.db2.gz FQZFCIPHLNKTOO-BDAKNGLRSA-N 1 0 247.289 0.926 20 30 BCEDRO C#CCNC(=O)N1CCC[C@]2(CC[NH2+]C2)C1 ZINC000491656297 388308426 /nfs/dbraw/zinc/30/84/26/388308426.db2.gz BDYUEJCPFQVCLN-GFCCVEGCSA-N 1 0 221.304 0.405 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=S)NC(C)C ZINC000491663097 388309194 /nfs/dbraw/zinc/30/91/94/388309194.db2.gz GRYIPJWJPOWORS-UHFFFAOYSA-N 1 0 227.377 0.814 20 30 BCEDRO C#CCN(C)C(=O)NC[C@H]([NH3+])c1ccccc1 ZINC000491665597 388309440 /nfs/dbraw/zinc/30/94/40/388309440.db2.gz GHCCEZYMMUXGCS-LBPRGKRZSA-N 1 0 231.299 0.961 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)CCO ZINC000491665076 388309548 /nfs/dbraw/zinc/30/95/48/388309548.db2.gz OZWMORSHRLOPDB-UHFFFAOYSA-N 1 0 226.320 0.124 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H]([C@H](C)O)C1 ZINC000491671942 388309800 /nfs/dbraw/zinc/30/98/00/388309800.db2.gz OIDLOUUCCQVANQ-NWDGAFQWSA-N 1 0 238.331 0.219 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCCN1CCCC1=O ZINC000491677651 388310151 /nfs/dbraw/zinc/31/01/51/388310151.db2.gz RDXBAJDEINNTPC-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NCCC[NH2+]C ZINC000491689084 388310953 /nfs/dbraw/zinc/31/09/53/388310953.db2.gz GIODNDPZVHZAOU-JTQLQIEISA-N 1 0 211.309 0.697 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C=CCCC1 ZINC000491695367 388311648 /nfs/dbraw/zinc/31/16/48/388311648.db2.gz XMZRZWPHCXEVAI-NSHDSACASA-N 1 0 206.289 0.824 20 30 BCEDRO C#CCN(C)C(=O)NCC[N@@H+](CC)CCC ZINC000491702025 388312955 /nfs/dbraw/zinc/31/29/55/388312955.db2.gz GUKPEFXWIUXPPR-UHFFFAOYSA-N 1 0 225.336 0.993 20 30 BCEDRO C#CCN(CC)C(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000491709465 388313812 /nfs/dbraw/zinc/31/38/12/388313812.db2.gz PAGRXWFNSIDXQO-NSHDSACASA-N 1 0 208.305 0.810 20 30 BCEDRO C#CCNC(=O)N1CC[NH2+]C[C@@H]1CCC ZINC000491724929 388314817 /nfs/dbraw/zinc/31/48/17/388314817.db2.gz GRKPGVLJRVIPRM-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000491724873 388314956 /nfs/dbraw/zinc/31/49/56/388314956.db2.gz HFFZWQSYANEGNZ-JOYOIKCWSA-N 1 0 241.237 0.582 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](COCC)C(C)C ZINC000491727531 388315249 /nfs/dbraw/zinc/31/52/49/388315249.db2.gz LJAIJNDCPGYJOH-LBPRGKRZSA-N 1 0 240.347 0.777 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@@H]([NH3+])C1CC1 ZINC000491729130 388315483 /nfs/dbraw/zinc/31/54/83/388315483.db2.gz MXKLZUZQZVMRCM-WDEREUQCSA-N 1 0 223.320 0.825 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000491729129 388315554 /nfs/dbraw/zinc/31/55/54/388315554.db2.gz MXKLZUZQZVMRCM-QWRGUYRKSA-N 1 0 223.320 0.825 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)Cc1cncnc1 ZINC000491729749 388315633 /nfs/dbraw/zinc/31/56/33/388315633.db2.gz OFBZWCDGRMYXRA-UHFFFAOYSA-N 1 0 246.314 0.090 20 30 BCEDRO C#CCN(C(=O)[C@H](C)N1CCN(C)CC1)C1CC1 ZINC000491732398 388315930 /nfs/dbraw/zinc/31/59/30/388315930.db2.gz AAYWHOOZXSSXPC-LBPRGKRZSA-N 1 0 249.358 0.247 20 30 BCEDRO C#CCN(CC)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000491748553 388317173 /nfs/dbraw/zinc/31/71/73/388317173.db2.gz OVCRHHZCTALKPW-NSHDSACASA-N 1 0 223.320 0.651 20 30 BCEDRO C#CCN(C(=O)NCC1CC[NH2+]CC1)C1CC1 ZINC000491746575 388317403 /nfs/dbraw/zinc/31/74/03/388317403.db2.gz LTQMVNGOILYUGG-UHFFFAOYSA-N 1 0 235.331 0.793 20 30 BCEDRO C#CCNC(=O)NCc1ccc(C[NH3+])cc1 ZINC000491749507 388317575 /nfs/dbraw/zinc/31/75/75/388317575.db2.gz GLRNBDBXCQLNAA-UHFFFAOYSA-N 1 0 217.272 0.578 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=S)NC1(C)CC1 ZINC000491751862 388317780 /nfs/dbraw/zinc/31/77/80/388317780.db2.gz LKTREGDDFVDZCM-UHFFFAOYSA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCN(CC)C(=O)[C@H](C)[NH+]1CC(C)C1 ZINC000491751217 388317799 /nfs/dbraw/zinc/31/77/99/388317799.db2.gz KBFUYAIUZKWOOG-NSHDSACASA-N 1 0 208.305 0.808 20 30 BCEDRO C#CC(C)(C)N(C)C[C@H](O)C[N@@H+](C)CC ZINC000491751077 388317906 /nfs/dbraw/zinc/31/79/06/388317906.db2.gz JQLFUDNPJVEILF-LLVKDONJSA-N 1 0 212.337 0.643 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1C[C@H](C)O[C@@H]1C ZINC000491760727 388318716 /nfs/dbraw/zinc/31/87/16/388318716.db2.gz SJCANIVIIREKPG-TUAOUCFPSA-N 1 0 238.331 0.529 20 30 BCEDRO C#C[C@@H]1COCCN1CCOCC(C)C ZINC000491761517 388318770 /nfs/dbraw/zinc/31/87/70/388318770.db2.gz VZTAMIVAXYCCRO-GFCCVEGCSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CCN(CC#N)C(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000491772755 388319233 /nfs/dbraw/zinc/31/92/33/388319233.db2.gz UVYRTOIKJKERBI-LLVKDONJSA-N 1 0 219.288 0.314 20 30 BCEDRO C#CCN(C(=O)NC[C@@H](C)C[NH2+]C)C1CC1 ZINC000491775152 388319644 /nfs/dbraw/zinc/31/96/44/388319644.db2.gz DLYQKJHIQSTDLE-JTQLQIEISA-N 1 0 223.320 0.649 20 30 BCEDRO C#C[C@H](CC)NC(=O)NCC[N@H+](C)CCOC ZINC000491788224 388321134 /nfs/dbraw/zinc/32/11/34/388321134.db2.gz XPUSQERTRYHCKZ-LLVKDONJSA-N 1 0 241.335 0.276 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H](C)[C@H](C)[NH3+])C(C)C ZINC000491791813 388321240 /nfs/dbraw/zinc/32/12/40/388321240.db2.gz BVTFSKACUIRSLN-GUBZILKMSA-N 1 0 211.309 0.679 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C)[C@H](C)[NH3+])C(C)C ZINC000491791811 388321266 /nfs/dbraw/zinc/32/12/66/388321266.db2.gz BVTFSKACUIRSLN-AEJSXWLSSA-N 1 0 211.309 0.679 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)Cc1ccn(C)n1 ZINC000491805833 388321927 /nfs/dbraw/zinc/32/19/27/388321927.db2.gz PIUYTOSYGXEGPM-UHFFFAOYSA-N 1 0 248.330 0.034 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CC[C@H](C[NH3+])C1)C1CC1 ZINC000491807436 388322236 /nfs/dbraw/zinc/32/22/36/388322236.db2.gz SHSAOVGBRDKYKE-QWRGUYRKSA-N 1 0 235.331 0.921 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[C@H](C[NH3+])C1)C1CC1 ZINC000491807438 388322271 /nfs/dbraw/zinc/32/22/71/388322271.db2.gz SHSAOVGBRDKYKE-WDEREUQCSA-N 1 0 235.331 0.921 20 30 BCEDRO C#CCNC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000491808204 388322454 /nfs/dbraw/zinc/32/24/54/388322454.db2.gz VOEZPTZSCUBDNC-JTQLQIEISA-N 1 0 209.293 0.355 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+]1CCCO[C@@H](CC)C1 ZINC000491810445 388322667 /nfs/dbraw/zinc/32/26/67/388322667.db2.gz IMAZPHWLIYAMLB-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H]1CC[NH2+]C[C@H]1C)C(C)C ZINC000491810970 388322691 /nfs/dbraw/zinc/32/26/91/388322691.db2.gz ATEVBZRFQSHJTI-WOPDTQHZSA-N 1 0 237.347 0.941 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NOCCOC)CC1 ZINC000491814892 388323159 /nfs/dbraw/zinc/32/31/59/388323159.db2.gz DRKWBYWMKJROSM-UHFFFAOYSA-N 1 0 240.303 0.026 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@@H](C)C[NH2+]C ZINC000491814748 388323284 /nfs/dbraw/zinc/32/32/84/388323284.db2.gz NVODVVYNMOWABA-QWRGUYRKSA-N 1 0 225.336 0.943 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@@H](CC)[NH+](C)C ZINC000491817205 388323431 /nfs/dbraw/zinc/32/34/31/388323431.db2.gz XZHLFQKOZCJJKJ-GFCCVEGCSA-N 1 0 220.316 0.812 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([NH2+]C2CCCC2)C1=O ZINC000491818872 388323827 /nfs/dbraw/zinc/32/38/27/388323827.db2.gz MHEFQZLVSUWJMD-SNVBAGLBSA-N 1 0 220.272 0.279 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NOCC(F)F)CC1 ZINC000490984379 388263812 /nfs/dbraw/zinc/26/38/12/388263812.db2.gz DYJZNWGNMQQQJW-UHFFFAOYSA-N 1 0 246.257 0.645 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000491071117 388268068 /nfs/dbraw/zinc/26/80/68/388268068.db2.gz IHXFJYORWATPDU-GRYCIOLGSA-N 1 0 237.347 0.149 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)N(C)C[C@@H]1C ZINC000491121443 388270133 /nfs/dbraw/zinc/27/01/33/388270133.db2.gz QYBPQRGGHSGENE-RYUDHWBXSA-N 1 0 237.347 0.150 20 30 BCEDRO C#C[C@@H](C)N(C)C[C@H]1CCCS(=O)(=O)C1 ZINC000491122757 388270675 /nfs/dbraw/zinc/27/06/75/388270675.db2.gz XNXQMFRCNLHLDC-GHMZBOCLSA-N 1 0 229.345 0.765 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)N(C2CC2)C1 ZINC000491127307 388271802 /nfs/dbraw/zinc/27/18/02/388271802.db2.gz WEIHPIILEJCMFQ-NWDGAFQWSA-N 1 0 249.358 0.341 20 30 BCEDRO C#CCNC(=O)NC[C@@H]1CCC[N@H+]1CCC ZINC000491179858 388274779 /nfs/dbraw/zinc/27/47/79/388274779.db2.gz IFZONGNAQPRSMQ-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)C[C@@H]1CN(C)C(=O)O1 ZINC000491201759 388276244 /nfs/dbraw/zinc/27/62/44/388276244.db2.gz JCSLOSACRHMKFK-VIFPVBQESA-N 1 0 210.277 0.781 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CCC#CC)CC1 ZINC000491200995 388276369 /nfs/dbraw/zinc/27/63/69/388276369.db2.gz DWGOLIKRQBPHFM-UHFFFAOYSA-N 1 0 232.327 0.861 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@H](C)C[C@H]1C ZINC000491203653 388277369 /nfs/dbraw/zinc/27/73/69/388277369.db2.gz YFJCGKGIVPNGRW-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)C1CCOCC1 ZINC000491202227 388277479 /nfs/dbraw/zinc/27/74/79/388277479.db2.gz MUUPTGZIRGDYDX-NSHDSACASA-N 1 0 238.331 0.531 20 30 BCEDRO CO[C@@H]1[C@H](C)[C@H]([NH2+]CC(=O)NCC#N)C1(C)C ZINC000451504414 388277776 /nfs/dbraw/zinc/27/77/76/388277776.db2.gz SDRHTBWJLIXOBL-DVVUODLYSA-N 1 0 239.319 0.275 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)/C=C/C[NH+](C)C ZINC000492361784 388342512 /nfs/dbraw/zinc/34/25/12/388342512.db2.gz CDGZRQFPGFPDDY-OKPNEXGHSA-N 1 0 226.320 0.405 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)/C=C/C[NH+](C)C ZINC000492361786 388342541 /nfs/dbraw/zinc/34/25/41/388342541.db2.gz CDGZRQFPGFPDDY-ZRQQLDRUSA-N 1 0 226.320 0.405 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)/C=C\C[NH+](C)C ZINC000492361783 388342552 /nfs/dbraw/zinc/34/25/52/388342552.db2.gz CDGZRQFPGFPDDY-JPVGGKMYSA-N 1 0 226.320 0.405 20 30 BCEDRO C[C@@H](O)C[N@H+](C)C[C@@H](O)c1ccc(C#N)cc1 ZINC000225884803 388344697 /nfs/dbraw/zinc/34/46/97/388344697.db2.gz LWNXRPAUIMMFEG-ZWNOBZJWSA-N 1 0 234.299 0.904 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CC(C)(C)[NH3+] ZINC000646389903 388349128 /nfs/dbraw/zinc/34/91/28/388349128.db2.gz JVUBGXVOSDBRPO-UWVGGRQHSA-N 1 0 226.320 0.821 20 30 BCEDRO C[C@H]([NH3+])C(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594453404 388356385 /nfs/dbraw/zinc/35/63/85/388356385.db2.gz VWVUDMBMRGFLBI-QMMMGPOBSA-N 1 0 215.256 0.748 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1cc(C#N)ccn1 ZINC000227934549 388374140 /nfs/dbraw/zinc/37/41/40/388374140.db2.gz HRTIYXYSLYJCKG-GFCCVEGCSA-N 1 0 234.303 0.678 20 30 BCEDRO C=CCOCCCC(=O)NCC(C)(C)[NH3+] ZINC000236597564 388380677 /nfs/dbraw/zinc/38/06/77/388380677.db2.gz WVPSDTVJGDYTDN-UHFFFAOYSA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C[NH3+])CCCC ZINC000236897881 388385639 /nfs/dbraw/zinc/38/56/39/388385639.db2.gz AFWQNEUXFMQJBY-JTQLQIEISA-N 1 0 234.365 0.999 20 30 BCEDRO CCC(CC)[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000572940433 388393823 /nfs/dbraw/zinc/39/38/23/388393823.db2.gz WBMZFFCRMCFIAK-GFCCVEGCSA-N 1 0 227.352 0.971 20 30 BCEDRO C[C@H]1CC[NH2+]C[C@H]1NC(=O)NCCCC#N ZINC000418002173 256679629 /nfs/dbraw/zinc/67/96/29/256679629.db2.gz LWWKBCUJTKHJPL-VHSXEESVSA-N 1 0 224.308 0.587 20 30 BCEDRO C=CCCOCC(=O)N1CCC([NH2+]C)CC1 ZINC000646733562 388444003 /nfs/dbraw/zinc/44/40/03/388444003.db2.gz PTAVCJXLEJQDGH-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO CC(C)(C[NH+]1CCCC1)NC(=O)CC#N ZINC000308687023 388447892 /nfs/dbraw/zinc/44/78/92/388447892.db2.gz DVHTXTVMMDNCBV-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H](C)C[N@@H+]1CCC[C@@H](C)C1 ZINC000646741761 388451712 /nfs/dbraw/zinc/45/17/12/388451712.db2.gz HYOHLEXSMMEDAI-WOPDTQHZSA-N 1 0 240.347 0.770 20 30 BCEDRO C[NH+]1CCC(NC(=O)c2ccnc(C#N)c2)CC1 ZINC000195067706 388459251 /nfs/dbraw/zinc/45/92/51/388459251.db2.gz PYJSRQNDYJCINA-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC([NH+](C)C)CC1 ZINC000193815189 388459993 /nfs/dbraw/zinc/45/99/93/388459993.db2.gz VCKSBEJDCRLFCE-NSHDSACASA-N 1 0 239.363 0.703 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+](CC)CC(=O)N(C)C ZINC000649245396 388467759 /nfs/dbraw/zinc/46/77/59/388467759.db2.gz AOQUDMDMQKKJLC-JTQLQIEISA-N 1 0 214.309 0.334 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648861217 388473555 /nfs/dbraw/zinc/47/35/55/388473555.db2.gz QWDGTLHXDYDEIE-OUAUKWLOSA-N 1 0 226.320 0.380 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000648861216 388474510 /nfs/dbraw/zinc/47/45/10/388474510.db2.gz QWDGTLHXDYDEIE-GMTAPVOTSA-N 1 0 226.320 0.380 20 30 BCEDRO COC[C@@](C)(CCO)[NH2+]CCOCCC#N ZINC000339017869 388477863 /nfs/dbraw/zinc/47/78/63/388477863.db2.gz RSEDUNDCMGJVLE-LLVKDONJSA-N 1 0 230.308 0.294 20 30 BCEDRO COC(=O)[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000338930076 388477906 /nfs/dbraw/zinc/47/79/06/388477906.db2.gz UOLOJQXTSSKCNO-JTQLQIEISA-N 1 0 226.276 0.412 20 30 BCEDRO C=CCCOCC(=O)NC1CCC([NH3+])CC1 ZINC000646664852 388407134 /nfs/dbraw/zinc/40/71/34/388407134.db2.gz RYUUDYWXJSDKAI-UHFFFAOYSA-N 1 0 226.320 0.965 20 30 BCEDRO C[NH+](C)CCCCNC(=O)c1c[nH]c(C#N)c1 ZINC000271945963 388414721 /nfs/dbraw/zinc/41/47/21/388414721.db2.gz CPKJRMZGHVUSOF-UHFFFAOYSA-N 1 0 234.303 0.958 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCOC[C@@H]1OCC ZINC000339092326 388479343 /nfs/dbraw/zinc/47/93/43/388479343.db2.gz SILYUZDKGUMJQA-NEPJUHHUSA-N 1 0 229.320 0.973 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H](C[NH2+]C)C1 ZINC000646709199 388420892 /nfs/dbraw/zinc/42/08/92/388420892.db2.gz YPWCNQXUVATJJN-LLVKDONJSA-N 1 0 226.320 0.647 20 30 BCEDRO C[C@]1(O)CCC[N@H+](CCOCCC#N)C1 ZINC000339060371 388479821 /nfs/dbraw/zinc/47/98/21/388479821.db2.gz QWRSFGKQFPMJPC-NSHDSACASA-N 1 0 212.293 0.763 20 30 BCEDRO COC[C@H]([NH2+]CCOCCC#N)C1CC1 ZINC000339074816 388479983 /nfs/dbraw/zinc/47/99/83/388479983.db2.gz KMXBZOSQKRQYNA-NSHDSACASA-N 1 0 212.293 0.931 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000517199408 388541969 /nfs/dbraw/zinc/54/19/69/388541969.db2.gz UJRVPQAMWHKPIM-NEPJUHHUSA-N 1 0 229.320 0.254 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@H](CO)[C@H](O)C1 ZINC000517199411 388542725 /nfs/dbraw/zinc/54/27/25/388542725.db2.gz UJRVPQAMWHKPIM-VXGBXAGGSA-N 1 0 229.320 0.254 20 30 BCEDRO CC#CCNC(=O)NCC[N@H+](C)C(C)C ZINC000135343641 388492554 /nfs/dbraw/zinc/49/25/54/388492554.db2.gz WNTLGBPCSMQUJY-UHFFFAOYSA-N 1 0 211.309 0.649 20 30 BCEDRO CC1CC[NH+](CCN2CCOC[C@@H]2C#N)CC1 ZINC000178021999 388495153 /nfs/dbraw/zinc/49/51/53/388495153.db2.gz UEBMMPOZNZYSDN-ZDUSSCGKSA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCCCC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000178720031 388504510 /nfs/dbraw/zinc/50/45/10/388504510.db2.gz VWPDZIMDVZSARC-GFCCVEGCSA-N 1 0 228.336 0.772 20 30 BCEDRO C=C[C@H](O)C(=O)NC1CC([NH+]2CCCCC2)C1 ZINC000614283163 388510516 /nfs/dbraw/zinc/51/05/16/388510516.db2.gz YFYTVHKFHMYTJU-MCIGGMRASA-N 1 0 238.331 0.666 20 30 BCEDRO Cc1nccn1CCC[N@@H+](C)CC(=O)NCC#N ZINC000136310990 388530346 /nfs/dbraw/zinc/53/03/46/388530346.db2.gz PITUCENDMWIIBO-UHFFFAOYSA-N 1 0 249.318 0.153 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N1CC[C@@H]([NH3+])C1 ZINC000516174557 256768711 /nfs/dbraw/zinc/76/87/11/256768711.db2.gz BIYMHHRKVKYKTN-AXFHLTTASA-N 1 0 239.319 0.320 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)Cc1ccc(CC#N)cc1 ZINC000351949004 388535321 /nfs/dbraw/zinc/53/53/21/388535321.db2.gz KQTKBFNBDFTUQW-LBPRGKRZSA-N 1 0 248.326 0.928 20 30 BCEDRO Cn1ncc(C(=O)N2CC[NH2+]C(C)(C)C2)c1C#N ZINC000356326772 388607817 /nfs/dbraw/zinc/60/78/17/388607817.db2.gz VSWHRKHKRYKDAQ-UHFFFAOYSA-N 1 0 247.302 0.116 20 30 BCEDRO C[N@H+](C[C@H](O)COc1cccnc1C#N)C1CC1 ZINC000357450708 388615189 /nfs/dbraw/zinc/61/51/89/388615189.db2.gz INMNDQXFZHAHKA-NSHDSACASA-N 1 0 247.298 0.787 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000521128248 388563062 /nfs/dbraw/zinc/56/30/62/388563062.db2.gz VRLXHPWAVCHSJV-SRVKXCTJSA-N 1 0 240.347 0.770 20 30 BCEDRO COCC#CCN1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000528795171 388574808 /nfs/dbraw/zinc/57/48/08/388574808.db2.gz RWCCKSABJGNKCC-GFCCVEGCSA-N 1 0 247.298 0.969 20 30 BCEDRO CNC(=O)[C@@H](C)C[N@H+](C)CCCCC#N ZINC000081530033 388581357 /nfs/dbraw/zinc/58/13/57/388581357.db2.gz TVNRGTMHSRDNRB-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO CN(c1ccc(C#N)nn1)[C@@H]1CCC[N@H+](C)C1 ZINC000301886875 388616676 /nfs/dbraw/zinc/61/66/76/388616676.db2.gz QMTHENHKICVKFG-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](CC)C1 ZINC000125088433 388668787 /nfs/dbraw/zinc/66/87/87/388668787.db2.gz KRCUWGXYUXLDNL-SNVBAGLBSA-N 1 0 239.319 0.730 20 30 BCEDRO CC[NH+](CC)CCCN1CCOC[C@H]1C#N ZINC000191813263 388670966 /nfs/dbraw/zinc/67/09/66/388670966.db2.gz RCYOLCGRXUHVEY-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO C#CCN(C)CC(=O)NCCOc1ccccc1 ZINC000192221841 388676130 /nfs/dbraw/zinc/67/61/30/388676130.db2.gz WIRKNNWMQXVULU-UHFFFAOYSA-N 1 0 246.310 0.747 20 30 BCEDRO C[C@@H](Nc1ccc(C#N)nn1)[C@@H]1CN(C)CCO1 ZINC000301981140 388618604 /nfs/dbraw/zinc/61/86/04/388618604.db2.gz XUQMUZQXRNUPBJ-KOLCDFICSA-N 1 0 247.302 0.479 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000246223571 388624761 /nfs/dbraw/zinc/62/47/61/388624761.db2.gz DQSFSSMYKKWQIA-SDDRHHMPSA-N 1 0 239.363 0.607 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1cnccc1C#N ZINC000091672423 388642269 /nfs/dbraw/zinc/64/22/69/388642269.db2.gz JEYBRLCLSRLSIC-GFCCVEGCSA-N 1 0 234.303 0.678 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@@H]1CC[N@H+](C)C1 ZINC000551866723 388643498 /nfs/dbraw/zinc/64/34/98/388643498.db2.gz TULZNICBQSYWBC-LLVKDONJSA-N 1 0 226.320 0.599 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](COCC)C(C)C ZINC000189798682 388644263 /nfs/dbraw/zinc/64/42/63/388644263.db2.gz IKPHLINZGZZAJG-VXGBXAGGSA-N 1 0 240.347 0.775 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CC[C@@H]1CC[NH2+]C1 ZINC000514857528 388644584 /nfs/dbraw/zinc/64/45/84/388644584.db2.gz WFVBXZZYLSYPOL-MRVPVSSYSA-N 1 0 233.275 0.610 20 30 BCEDRO N#Cc1cncnc1N[C@@H]1CCC[NH2+]CC1 ZINC000304480970 388654494 /nfs/dbraw/zinc/65/44/94/388654494.db2.gz MXVLKWRKAGAPQY-SNVBAGLBSA-N 1 0 217.276 0.902 20 30 BCEDRO C[NH2+]CCCn1cc(C(=O)OC)cc(C#N)c1=O ZINC000516179129 388657529 /nfs/dbraw/zinc/65/75/29/388657529.db2.gz AKRVDGLQJUKTOW-UHFFFAOYSA-N 1 0 249.270 0.116 20 30 BCEDRO C=CC[N@H+](CCOC)CCN1CCOC[C@H]1C ZINC000192821741 388685657 /nfs/dbraw/zinc/68/56/57/388685657.db2.gz SFSWDCZBJVWYJD-CYBMUJFWSA-N 1 0 242.363 0.842 20 30 BCEDRO C[NH2+]CCNC(=O)[C@H](C)Oc1ccc(C#N)cc1 ZINC000517243039 388660802 /nfs/dbraw/zinc/66/08/02/388660802.db2.gz IVRXPKGXGMOJRC-JTQLQIEISA-N 1 0 247.298 0.661 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@]2(CCO)CCOC2)o1 ZINC000447067542 388735356 /nfs/dbraw/zinc/73/53/56/388735356.db2.gz INUFARBPMQDWRU-LBPRGKRZSA-N 1 0 236.271 0.782 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@H](CO)[C@H]2CCCO2)o1 ZINC000447971716 388739693 /nfs/dbraw/zinc/73/96/93/388739693.db2.gz MFLQUVJCPLATTA-NWDGAFQWSA-N 1 0 236.271 0.781 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCC[NH+](C)C ZINC000194674898 388739844 /nfs/dbraw/zinc/73/98/44/388739844.db2.gz NNOVXCGRHBNFKZ-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO CCN(CC(=O)OC)Cc1cc(C#N)n(C)c1 ZINC000276804320 388742616 /nfs/dbraw/zinc/74/26/16/388742616.db2.gz WEPKPKZAALMNRY-UHFFFAOYSA-N 1 0 235.287 0.892 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000539114394 388748769 /nfs/dbraw/zinc/74/87/69/388748769.db2.gz DKEXOBTWKDTCHX-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO CO[C@@H]1CN(Cc2ccc(C#N)s2)C[C@H]1O ZINC000449570973 388751588 /nfs/dbraw/zinc/75/15/88/388751588.db2.gz JEVMGTLJLPKEEV-GHMZBOCLSA-N 1 0 238.312 0.811 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC([C@@H](C)O)CC1 ZINC000225782159 388690130 /nfs/dbraw/zinc/69/01/30/388690130.db2.gz MTFNWLBPOBEFTL-GHMZBOCLSA-N 1 0 238.331 0.217 20 30 BCEDRO CO[C@@H](C)C[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370132739 388692377 /nfs/dbraw/zinc/69/23/77/388692377.db2.gz OZFMVPUYXZWZLD-JTQLQIEISA-N 1 0 249.318 0.822 20 30 BCEDRO COC[C@@H](C)[NH+]1CCC(n2cnc(C#N)n2)CC1 ZINC000370125354 388692445 /nfs/dbraw/zinc/69/24/45/388692445.db2.gz ZXIZIKGVMKQLAN-SNVBAGLBSA-N 1 0 249.318 0.822 20 30 BCEDRO CSCC[C@@H](C)[N@H+](C)CC(=O)NCC#N ZINC000126575351 388698534 /nfs/dbraw/zinc/69/85/34/388698534.db2.gz DWJFIIGSXWNZLZ-SECBINFHSA-N 1 0 229.349 0.700 20 30 BCEDRO CC(C)(CCC#N)C[NH2+]CCOCCO ZINC000126636913 388698556 /nfs/dbraw/zinc/69/85/56/388698556.db2.gz NLNNZHSAXXBEQH-UHFFFAOYSA-N 1 0 214.309 0.915 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C[C@@H](C)O)[C@@H](C)CO ZINC000248988975 388702953 /nfs/dbraw/zinc/70/29/53/388702953.db2.gz WUEWXPXHYPTSNV-TUAOUCFPSA-N 1 0 231.336 0.377 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C[C@H](C)O)[C@@H](C)CO ZINC000248988973 388703137 /nfs/dbraw/zinc/70/31/37/388703137.db2.gz WUEWXPXHYPTSNV-SRVKXCTJSA-N 1 0 231.336 0.377 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C[C@@H](C)O)[C@H](C)CO ZINC000248988977 388703470 /nfs/dbraw/zinc/70/34/70/388703470.db2.gz WUEWXPXHYPTSNV-UTUOFQBUSA-N 1 0 231.336 0.377 20 30 BCEDRO N#Cc1ccccc1C[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528602234 388707753 /nfs/dbraw/zinc/70/77/53/388707753.db2.gz HPZRIBTVBXCXPW-KBPBESRZSA-N 1 0 246.310 0.591 20 30 BCEDRO CC#CCN1CC[N@H+](C[C@H](C)O)C[C@@H]1C ZINC000249479389 388722996 /nfs/dbraw/zinc/72/29/96/388722996.db2.gz AVODBDAZNCGABV-RYUDHWBXSA-N 1 0 210.321 0.397 20 30 BCEDRO C[C@@H]1CC[N@H+](CCNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000533098551 388723537 /nfs/dbraw/zinc/72/35/37/388723537.db2.gz VCGPMOXCDKYZGC-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO C=C(C)CN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000249514698 388726069 /nfs/dbraw/zinc/72/60/69/388726069.db2.gz PVUOTTHPMNOUIS-NEPJUHHUSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H](C)C[C@@H]1C(N)=O ZINC000249544237 388726767 /nfs/dbraw/zinc/72/67/67/388726767.db2.gz FVDAVLYMJBZAAD-SDDRHHMPSA-N 1 0 240.347 0.899 20 30 BCEDRO C=CC[N@@H+](C)C[C@H](O)CN1CCCC1=O ZINC000127615702 388728450 /nfs/dbraw/zinc/72/84/50/388728450.db2.gz UUGFHCDYMLLYDO-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO C[N@H+](CCO)CCOc1ccccc1C#N ZINC000037899280 388774619 /nfs/dbraw/zinc/77/46/19/388774619.db2.gz SSGCKUUINVCBIS-UHFFFAOYSA-N 1 0 220.272 0.861 20 30 BCEDRO CCN1C[C@@H]([NH2+]Cc2cc(C#N)n(C)c2)CC1=O ZINC000391561958 388779410 /nfs/dbraw/zinc/77/94/10/388779410.db2.gz PDLOHFAJISWLFX-NSHDSACASA-N 1 0 246.314 0.607 20 30 BCEDRO CCN1C[C@H]([NH2+]Cc2cc(C#N)n(C)c2)CC1=O ZINC000391561956 388780174 /nfs/dbraw/zinc/78/01/74/388780174.db2.gz PDLOHFAJISWLFX-LLVKDONJSA-N 1 0 246.314 0.607 20 30 BCEDRO C[NH+](C)CC(=O)N(CC#N)C1CCCC1 ZINC000230107099 388815517 /nfs/dbraw/zinc/81/55/17/388815517.db2.gz XWYROTRECKSSDX-UHFFFAOYSA-N 1 0 209.293 0.843 20 30 BCEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1cc(C#N)ncn1 ZINC000555804964 388824431 /nfs/dbraw/zinc/82/44/31/388824431.db2.gz YQOSGJJUGAILNR-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000554592641 388824718 /nfs/dbraw/zinc/82/47/18/388824718.db2.gz MJGOKXYPMHGICM-BDAKNGLRSA-N 1 0 212.297 0.395 20 30 BCEDRO Cn1cc(C[NH2+]CCCCO)cc1C#N ZINC000193279233 388842204 /nfs/dbraw/zinc/84/22/04/388842204.db2.gz MAFRZSQLAFRBMV-UHFFFAOYSA-N 1 0 207.277 0.759 20 30 BCEDRO C=CCN1CC[C@@H](NCC2([NH3+])CCC2)C1=O ZINC000564656811 388883868 /nfs/dbraw/zinc/88/38/68/388883868.db2.gz KELKTSUPEKUENH-SNVBAGLBSA-N 1 0 223.320 0.244 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC[N@H+](C)C1CC1 ZINC000541945621 388878430 /nfs/dbraw/zinc/87/84/30/388878430.db2.gz KMRTZKMVUKWZHS-VIFPVBQESA-N 1 0 224.308 0.539 20 30 BCEDRO CSC[C@@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000566004977 388982500 /nfs/dbraw/zinc/98/25/00/388982500.db2.gz MKFVQHXBYNVSEN-VIFPVBQESA-N 1 0 214.334 0.994 20 30 BCEDRO C#C[C@@H](C)[NH2+]Cc1cnc(-c2cnn(C)c2)nc1 ZINC000377617220 533234447 /nfs/dbraw/zinc/23/44/47/533234447.db2.gz AGPKFTZSLFHXFV-SNVBAGLBSA-N 1 0 241.298 0.988 20 30 BCEDRO C#C[C@H](NC(=[NH2+])N1CCOCC1)C(C)(C)C ZINC000262337604 533278290 /nfs/dbraw/zinc/27/82/90/533278290.db2.gz XMOSOHQIVKOTNY-JTQLQIEISA-N 1 0 223.320 0.681 20 30 BCEDRO C[NH+]=C(NCCNc1ccccn1)NC1CC1 ZINC000264030914 533477513 /nfs/dbraw/zinc/47/75/13/533477513.db2.gz DNXHMMOHMIBEDR-UHFFFAOYSA-N 1 0 233.319 0.821 20 30 BCEDRO C[NH+]=C(NCCOC)N1CC[C@]2(CCOC2)C1 ZINC000261947457 533478479 /nfs/dbraw/zinc/47/84/79/533478479.db2.gz GHLPWTZFFLCEAH-LBPRGKRZSA-N 1 0 241.335 0.321 20 30 BCEDRO C=C(C)CC[N@@H+](C)[C@@H](COC)C(N)=O ZINC000339356708 533485795 /nfs/dbraw/zinc/48/57/95/533485795.db2.gz JEOLVAKKNUUINA-VIFPVBQESA-N 1 0 200.282 0.385 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@]1(OC)CCOC1 ZINC000262700154 533510845 /nfs/dbraw/zinc/51/08/45/533510845.db2.gz YROUSQGBEYZIFO-NSHDSACASA-N 1 0 227.308 0.272 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H]2OCC(=O)N[C@H]2C1 ZINC000366777824 533513630 /nfs/dbraw/zinc/51/36/30/533513630.db2.gz OOSWUJHBTPZNRJ-VHSXEESVSA-N 1 0 210.277 0.152 20 30 BCEDRO C[C@@H]1CN(c2ncc([N+](=O)[O-])cc2C#N)CC[NH2+]1 ZINC000052783530 132229511 /nfs/dbraw/zinc/22/95/11/132229511.db2.gz CYWVWKKFGGIMCY-MRVPVSSYSA-N 1 0 247.258 0.660 20 30 BCEDRO N#Cc1ccc(N2CCC[C@H]([NH3+])C2)nc1 ZINC000041030221 132348776 /nfs/dbraw/zinc/34/87/76/132348776.db2.gz UROQVLYGDQAYKP-JTQLQIEISA-N 1 0 202.261 0.881 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H](C)CC(=O)N(C)C ZINC000186699800 133442664 /nfs/dbraw/zinc/44/26/64/133442664.db2.gz QIBLZUSQCIQKPO-ZJUUUORDSA-N 1 0 214.309 0.380 20 30 BCEDRO C=CCOc1ccc(C[NH2+]C[C@H](O)CO)cc1 ZINC000004071761 133456957 /nfs/dbraw/zinc/45/69/57/133456957.db2.gz UQMZZOQNIYKHJY-LBPRGKRZSA-N 1 0 237.299 0.694 20 30 BCEDRO C[NH+]=C(NCCn1cc(C)cn1)N[C@H]1C[C@H]1C ZINC000132116089 133501250 /nfs/dbraw/zinc/50/12/50/133501250.db2.gz ZZTYRUIXYXBMOG-MNOVXSKESA-N 1 0 235.335 0.765 20 30 BCEDRO CCCNC(=[NH2+])NCc1ccc(NC(C)=O)nc1 ZINC000278579230 133553238 /nfs/dbraw/zinc/55/32/38/133553238.db2.gz BJUYRAAMHIYVLW-UHFFFAOYSA-N 1 0 249.318 0.854 20 30 BCEDRO CO/N=C/C(=O)NCc1ccccc1C[NH+](C)C ZINC000283234768 133562176 /nfs/dbraw/zinc/56/21/76/133562176.db2.gz ZBXDAYKOZCMORO-OQLLNIDSSA-N 1 0 249.314 0.997 20 30 BCEDRO NC(=[NH2+])NC[C@@]1(CO)C[C@H]1c1ccccc1 ZINC000290664970 133571768 /nfs/dbraw/zinc/57/17/68/133571768.db2.gz OJHUISAOAQAWCK-CMPLNLGQSA-N 1 0 219.288 0.426 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@H](CC)CO)C1=O ZINC000295830439 133667577 /nfs/dbraw/zinc/66/75/77/133667577.db2.gz YPLXTTJXVRWWAZ-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO CC(=O)N1CC(C(=O)NCC[NH+]2CCC2)C1 ZINC000329962865 133992230 /nfs/dbraw/zinc/99/22/30/133992230.db2.gz SXPYLVDTNXNLIE-UHFFFAOYSA-N 1 0 225.292 0.127 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)CC(C)(C)C#N ZINC000332482328 134005284 /nfs/dbraw/zinc/00/52/84/134005284.db2.gz CBRJYBYYYHYEOH-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N[C@H](C#N)C1CC1 ZINC000335973335 134030392 /nfs/dbraw/zinc/03/03/92/134030392.db2.gz GFKCMUYIEZHMOE-NXEZZACHSA-N 1 0 207.277 0.499 20 30 BCEDRO CN(C(=O)[C@@H]1CC[N@H+](C)C1)C1(C#N)CCC1 ZINC000335975732 134031479 /nfs/dbraw/zinc/03/14/79/134031479.db2.gz JIEAMFQHWCSWBK-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000352008073 134035053 /nfs/dbraw/zinc/03/50/53/134035053.db2.gz ZSJWJWWMMFNUSF-GHMZBOCLSA-N 1 0 226.320 0.740 20 30 BCEDRO C=CCOCC(=O)N1C[C@H](C)[N@@H+](C)C[C@@H]1C ZINC000352008075 134035283 /nfs/dbraw/zinc/03/52/83/134035283.db2.gz ZSJWJWWMMFNUSF-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO N#Cc1c[nH]c(C(=O)N[C@H]2CC[N@@H+](C3CC3)C2)c1 ZINC000336082998 134075571 /nfs/dbraw/zinc/07/55/71/134075571.db2.gz WIPJZOKABDVFJC-JTQLQIEISA-N 1 0 244.298 0.853 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)C1CC(OC)C1 ZINC000352212547 134108203 /nfs/dbraw/zinc/10/82/03/134108203.db2.gz QWBLRKLFOOZSQL-UHFFFAOYSA-N 1 0 212.293 0.398 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)N[C@@H]2[C@H]3C[NH2+]C[C@H]32)C1 ZINC000333550611 134116887 /nfs/dbraw/zinc/11/68/87/134116887.db2.gz JKTFECMECIQDMI-OGBGREFGSA-N 1 0 234.303 0.196 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](NS(C)(=O)=O)C1 ZINC000352242135 134118105 /nfs/dbraw/zinc/11/81/05/134118105.db2.gz RKJDENVMBYLSLR-VIFPVBQESA-N 1 0 218.322 0.186 20 30 BCEDRO Cn1c(C#N)ccc1C(=O)N1CC([NH+](C)C)C1 ZINC000336203132 134131133 /nfs/dbraw/zinc/13/11/33/134131133.db2.gz JQLWZDSAFBZJRP-UHFFFAOYSA-N 1 0 232.287 0.283 20 30 BCEDRO CO[C@@H]1COC[C@@H]1[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000333830449 134139430 /nfs/dbraw/zinc/13/94/30/134139430.db2.gz LEAORCJULOVUDL-ZRUFSTJUSA-N 1 0 210.277 0.682 20 30 BCEDRO C[C@@H]1C(=O)NCCCN1CC1(C#N)CCC1 ZINC000336272818 134141982 /nfs/dbraw/zinc/14/19/82/134141982.db2.gz BRSUVZIRLJOJDX-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO CS[C@@H]1CN(C(=O)CC#N)C[C@@H]1[NH+](C)C ZINC000336310945 134143065 /nfs/dbraw/zinc/14/30/65/134143065.db2.gz KOPONDCYXMHSNN-DTWKUNHWSA-N 1 0 227.333 0.404 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CC#N)[C@H]2C1 ZINC000336318950 134143252 /nfs/dbraw/zinc/14/32/52/134143252.db2.gz AHDMXCQFPIFQTO-ZJUUUORDSA-N 1 0 207.277 0.453 20 30 BCEDRO CN(C)C(=O)C[N@H+](C)[C@@H]1CC[C@H](C#N)C1 ZINC000336327862 134143804 /nfs/dbraw/zinc/14/38/04/134143804.db2.gz YMAXLZNYRVMUKN-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO CC#CCN1CCO[C@]2(CCO[C@@H]2C)C1 ZINC000336347346 134144402 /nfs/dbraw/zinc/14/44/02/134144402.db2.gz LLAMKPMVQNQTQZ-VXGBXAGGSA-N 1 0 209.289 0.890 20 30 BCEDRO C[NH+]1CCC(C(=O)NCC(C)(C)C#N)CC1 ZINC000336403760 134146227 /nfs/dbraw/zinc/14/62/27/134146227.db2.gz ZAVMTRDLYQBYLG-UHFFFAOYSA-N 1 0 223.320 0.994 20 30 BCEDRO N#CCC(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000336425129 134146746 /nfs/dbraw/zinc/14/67/46/134146746.db2.gz PURLASUSRKVROQ-NSHDSACASA-N 1 0 221.304 0.987 20 30 BCEDRO C=C(C)C[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000336552634 134149478 /nfs/dbraw/zinc/14/94/78/134149478.db2.gz MJWKCPIKRLDAPK-UHFFFAOYSA-N 1 0 218.322 0.315 20 30 BCEDRO N#CC1(C(=O)N2CC[NH+]3CCC2CC3)CCC1 ZINC000336630046 134152401 /nfs/dbraw/zinc/15/24/01/134152401.db2.gz ZTQYKJXQERDUKK-UHFFFAOYSA-N 1 0 233.315 0.987 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]2CC[N@H+](C)C[C@H]21 ZINC000352807114 134152971 /nfs/dbraw/zinc/15/29/71/134152971.db2.gz UEXNJHJWLZFOQF-OUAUKWLOSA-N 1 0 221.304 0.699 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)NCCCCC#N ZINC000352901720 134158469 /nfs/dbraw/zinc/15/84/69/134158469.db2.gz QLTPORREMFLQGR-JTQLQIEISA-N 1 0 226.324 0.930 20 30 BCEDRO CO[C@H](C)C[N@H+](C)CC(=O)NC1(C#N)CCC1 ZINC000353253205 134162710 /nfs/dbraw/zinc/16/27/10/134162710.db2.gz KWMQBGZEMJUMOD-SNVBAGLBSA-N 1 0 239.319 0.516 20 30 BCEDRO N#CCC(=O)N1CC[C@@H](C[NH+]2CCCC2)C1 ZINC000356845315 134179536 /nfs/dbraw/zinc/17/95/36/134179536.db2.gz NPBYTRHWENGCDS-NSHDSACASA-N 1 0 221.304 0.844 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000356856891 134180406 /nfs/dbraw/zinc/18/04/06/134180406.db2.gz DYLJRKKOOBCBRH-NEPJUHHUSA-N 1 0 238.331 0.524 20 30 BCEDRO Cn1c(CC#N)nnc1SCC[NH+](C)C ZINC000357045350 134182127 /nfs/dbraw/zinc/18/21/27/134182127.db2.gz BQXVQQWWLAUDDC-UHFFFAOYSA-N 1 0 225.321 0.535 20 30 BCEDRO N#CCC(=O)NCCCC[N@H+]1CCC[C@@H]1CO ZINC000357118098 134182375 /nfs/dbraw/zinc/18/23/75/134182375.db2.gz NUNKZFOGMJLHHZ-LLVKDONJSA-N 1 0 239.319 0.253 20 30 BCEDRO C[N@H+](CCCC#N)C1CCN(CCO)CC1 ZINC000357644301 134184687 /nfs/dbraw/zinc/18/46/87/134184687.db2.gz CLCRJTYZNXBAIA-UHFFFAOYSA-N 1 0 225.336 0.679 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H]2CCOC2)CC1 ZINC000357825034 134185622 /nfs/dbraw/zinc/18/56/22/134185622.db2.gz YYENLOFVGCAOER-LLVKDONJSA-N 1 0 238.331 0.790 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000358127578 134187011 /nfs/dbraw/zinc/18/70/11/134187011.db2.gz PUDMHUGOXIDDBP-NXEZZACHSA-N 1 0 221.304 0.913 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCC[N@@H+](CC)C(C)C ZINC000358792792 134192278 /nfs/dbraw/zinc/19/22/78/134192278.db2.gz OSRPQSAVYKXNPE-LLVKDONJSA-N 1 0 243.351 0.563 20 30 BCEDRO C#CCNC(=O)[C@@H]1C[C@H]2CCCC[N@@H+]2C1 ZINC000361786170 134207327 /nfs/dbraw/zinc/20/73/27/134207327.db2.gz WHWWBFKYQCOSJT-GHMZBOCLSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](CO)OC[C@H]1C ZINC000361677153 134207382 /nfs/dbraw/zinc/20/73/82/134207382.db2.gz DUJSWDPFERMVFC-GRYCIOLGSA-N 1 0 229.320 0.395 20 30 BCEDRO CCCN(CC#N)C(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000362584236 134211770 /nfs/dbraw/zinc/21/17/70/134211770.db2.gz SFASDHWUSGCVJN-MNOVXSKESA-N 1 0 223.320 0.946 20 30 BCEDRO C[C@@H]1C[N@H+](C)C[C@H]1C(=O)N(C)CCC#N ZINC000362609166 134212783 /nfs/dbraw/zinc/21/27/83/134212783.db2.gz PLIUKUNUHAHTRU-NXEZZACHSA-N 1 0 209.293 0.556 20 30 BCEDRO C=C(C)COCCNC(=O)[C@@H]1C[N@@H+](C)C[C@H]1C ZINC000362912587 134214827 /nfs/dbraw/zinc/21/48/27/134214827.db2.gz HCSKCFPTDMSBIM-VXGBXAGGSA-N 1 0 240.347 0.893 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@@H]1C[N@@H+](C)C[C@@H]1C ZINC000362981600 134215152 /nfs/dbraw/zinc/21/51/52/134215152.db2.gz CLXQYEUHTOBIDC-SDDRHHMPSA-N 1 0 240.347 0.485 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000367501793 134215536 /nfs/dbraw/zinc/21/55/36/134215536.db2.gz BNNKLGAYDNKLLS-SNVBAGLBSA-N 1 0 230.333 0.023 20 30 BCEDRO CC#CCC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368975509 134220943 /nfs/dbraw/zinc/22/09/43/134220943.db2.gz VZFVUWYRYSCXSK-SDDRHHMPSA-N 1 0 220.316 0.986 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H]2CCC[C@@H]2[C@@H]1C(N)=O ZINC000368976529 134221216 /nfs/dbraw/zinc/22/12/16/134221216.db2.gz WXUZDFJATLJLCZ-GARJFASQSA-N 1 0 206.289 0.596 20 30 BCEDRO C=C(C)C[N@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000369288340 134222286 /nfs/dbraw/zinc/22/22/86/134222286.db2.gz PRGUTNVHWDYOKB-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO N#CCCCC[N@@H+]1CCN2C(=O)CC[C@@H]2C1 ZINC000168506800 134225047 /nfs/dbraw/zinc/22/50/47/134225047.db2.gz FEWDFVHWECGVEB-LLVKDONJSA-N 1 0 221.304 0.987 20 30 BCEDRO CO/N=C/C(=O)N1CC[C@H]2CC[N@H+](C)[C@H]2C1 ZINC000370266036 134225401 /nfs/dbraw/zinc/22/54/01/134225401.db2.gz LADGLQBZSZOFKC-KUMVTMCRSA-N 1 0 225.292 0.171 20 30 BCEDRO C=CCCS(=O)(=O)NCC[N@@H+](CC)C1CC1 ZINC000120202858 134228635 /nfs/dbraw/zinc/22/86/35/134228635.db2.gz TUTNVZWCAZQPJJ-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1C[C@H](O)C2(CC2)C1 ZINC000372299788 134231097 /nfs/dbraw/zinc/23/10/97/134231097.db2.gz CSGCUPJBQSEGMH-MNOVXSKESA-N 1 0 211.305 0.770 20 30 BCEDRO C#CCN1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000373294851 134233959 /nfs/dbraw/zinc/23/39/59/134233959.db2.gz ZCINIHKDIRCZQY-GFCCVEGCSA-N 1 0 222.332 0.805 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@](O)(C2CC2)C1 ZINC000373907913 134235158 /nfs/dbraw/zinc/23/51/58/134235158.db2.gz HFFASEIYWZQXFZ-GFCCVEGCSA-N 1 0 224.304 0.135 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H]([C@H]2CCOC2)C1 ZINC000374396404 134236597 /nfs/dbraw/zinc/23/65/97/134236597.db2.gz YFGFUKJFOXRVCN-NEPJUHHUSA-N 1 0 238.331 0.647 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@H]([C@@H]2CCOC2)C1 ZINC000374396405 134236972 /nfs/dbraw/zinc/23/69/72/134236972.db2.gz YFGFUKJFOXRVCN-NWDGAFQWSA-N 1 0 238.331 0.647 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000375019212 134238370 /nfs/dbraw/zinc/23/83/70/134238370.db2.gz KUUXCXUXBOUNQU-RWMBFGLXSA-N 1 0 249.358 0.150 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000375343492 134239188 /nfs/dbraw/zinc/23/91/88/134239188.db2.gz YIFJRILKYAGIBX-NWDGAFQWSA-N 1 0 236.319 0.852 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H]2CC[N@@H+](C)[C@@H]2C1 ZINC000376500465 134242464 /nfs/dbraw/zinc/24/24/64/134242464.db2.gz LBESJUDLIHVGJP-VXGBXAGGSA-N 1 0 237.347 0.315 20 30 BCEDRO C[C@H](O)C[N@H+](C)CCCSCC#N ZINC000173899348 134278304 /nfs/dbraw/zinc/27/83/04/134278304.db2.gz OPSILVAOWGQLLC-VIFPVBQESA-N 1 0 202.323 0.946 20 30 BCEDRO COCCCNC(=O)[C@@H](C)N(C)C[C@@H](C)C#N ZINC000219366592 134281318 /nfs/dbraw/zinc/28/13/18/134281318.db2.gz AABLNGAOLBGCIS-WDEREUQCSA-N 1 0 241.335 0.619 20 30 BCEDRO CC[N@H+](CC(=O)N1CCOC[C@H]1C#N)C1CC1 ZINC000179176647 134317943 /nfs/dbraw/zinc/31/79/43/134317943.db2.gz RPMZZJPFBCDDAP-LLVKDONJSA-N 1 0 237.303 0.222 20 30 BCEDRO N#CCSCCC[N@H+]1C[C@@H](O)C[C@H]1CO ZINC000179170989 134318110 /nfs/dbraw/zinc/31/81/10/134318110.db2.gz VNNOEZYJJPIUAE-UWVGGRQHSA-N 1 0 230.333 0.061 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCc1nc(C)no1 ZINC000102712943 134478291 /nfs/dbraw/zinc/47/82/91/134478291.db2.gz MUFAYCQBIUNSAV-SSDOTTSWSA-N 1 0 225.296 0.623 20 30 BCEDRO Cn1cc(CNC(N)=[NH2+])c(-c2ccccc2)n1 ZINC000305832178 134643828 /nfs/dbraw/zinc/64/38/28/134643828.db2.gz UWCLWJOZWGEUCH-UHFFFAOYSA-N 1 0 229.287 0.861 20 30 BCEDRO N#CCC(=O)NC1CC[NH+](CC2CC2)CC1 ZINC000408313691 134705799 /nfs/dbraw/zinc/70/57/99/134705799.db2.gz LUIWJCAKFZGFHI-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CC)[C@@H]1CCOC1 ZINC000134402473 134709653 /nfs/dbraw/zinc/70/96/53/134709653.db2.gz 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135082370 /nfs/dbraw/zinc/08/23/70/135082370.db2.gz APLKHNHGFGSJEC-LBPRGKRZSA-N 1 0 243.347 0.787 20 30 BCEDRO N#Cc1csc(C[NH2+]CC(=O)NC2CC2)c1 ZINC000086500174 135087172 /nfs/dbraw/zinc/08/71/72/135087172.db2.gz WMIRTXATPYCBFG-UHFFFAOYSA-N 1 0 235.312 0.988 20 30 BCEDRO CNC(=O)[C@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500203 135087521 /nfs/dbraw/zinc/08/75/21/135087521.db2.gz OWWFUKIGMVUWIO-ZETCQYMHSA-N 1 0 223.301 0.844 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000339934169 135089638 /nfs/dbraw/zinc/08/96/38/135089638.db2.gz QDSJBCCLSKDZEF-GHMZBOCLSA-N 1 0 238.335 0.882 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000339934173 135089731 /nfs/dbraw/zinc/08/97/31/135089731.db2.gz QDSJBCCLSKDZEF-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO CN1CC[NH+]=C1NCCOc1ccccc1 ZINC000261591103 135110057 /nfs/dbraw/zinc/11/00/57/135110057.db2.gz UZWUCFDGHOEFIW-UHFFFAOYSA-N 1 0 219.288 0.956 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@H](O)c2ccccc2)N1 ZINC000261589660 135110459 /nfs/dbraw/zinc/11/04/59/135110459.db2.gz UAPQFVNGPWSKDZ-KOLCDFICSA-N 1 0 219.288 0.657 20 30 BCEDRO C[NH+]=C(NCc1nnc(C)n1C)N1CCCC1 ZINC000261657925 135111408 /nfs/dbraw/zinc/11/14/08/135111408.db2.gz AKJDUAJSIDBTFB-UHFFFAOYSA-N 1 0 236.323 0.295 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCC1(O)CCC1 ZINC000261751270 135111505 /nfs/dbraw/zinc/11/15/05/135111505.db2.gz JUXLWOJHGQYIKB-UHFFFAOYSA-N 1 0 211.309 0.772 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2cccc(C(N)=O)c2)N1 ZINC000261858097 135112571 /nfs/dbraw/zinc/11/25/71/135112571.db2.gz AAQZJRVFJVUSMT-MRVPVSSYSA-N 1 0 232.287 0.223 20 30 BCEDRO C=CCNC(=[NH+]CC)N1CCO[C@H](COC)C1 ZINC000261968491 135113116 /nfs/dbraw/zinc/11/31/16/135113116.db2.gz QCPDLCVLKKAVAL-NSHDSACASA-N 1 0 241.335 0.485 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](C)N1CCOCC1 ZINC000261992437 135113344 /nfs/dbraw/zinc/11/33/44/135113344.db2.gz MQMKCSDUXULRJI-LLVKDONJSA-N 1 0 240.351 0.188 20 30 BCEDRO C[NH+]=C(NCc1nnc(C)n1C)N[C@H]1C[C@@H]1C ZINC000261945109 135113445 /nfs/dbraw/zinc/11/34/45/135113445.db2.gz FQIXOHQIHKEWRE-CBAPKCEASA-N 1 0 236.323 0.197 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCn1ccnc1 ZINC000261951496 135113473 /nfs/dbraw/zinc/11/34/73/135113473.db2.gz HMNXDLORCFBBSJ-SECBINFHSA-N 1 0 209.297 0.586 20 30 BCEDRO CN(C)c1cccnc1CNC1=[NH+]CCN1C ZINC000262371060 135117491 /nfs/dbraw/zinc/11/74/91/135117491.db2.gz LTQWWOWDYIQAKQ-UHFFFAOYSA-N 1 0 233.319 0.539 20 30 BCEDRO COCc1nc(CNC2=[NH+]CCN2C)cs1 ZINC000262340152 135117520 /nfs/dbraw/zinc/11/75/20/135117520.db2.gz WWJYCHSJZLJISI-UHFFFAOYSA-N 1 0 240.332 0.681 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1cnnn1C ZINC000262333103 135117640 /nfs/dbraw/zinc/11/76/40/135117640.db2.gz WBEJRWLQUCIBLK-SSDOTTSWSA-N 1 0 210.285 0.018 20 30 BCEDRO Cc1nnc(CC[NH+]=C(N(C)C)N(C)C)s1 ZINC000262287020 135117804 /nfs/dbraw/zinc/11/78/04/135117804.db2.gz KKZVNUGJZQDDEV-UHFFFAOYSA-N 1 0 241.364 0.868 20 30 BCEDRO CN(C(=[NH2+])NCc1cncn1C)C1CC1 ZINC000262335533 135117897 /nfs/dbraw/zinc/11/78/97/135117897.db2.gz VYVASYNCFPALOY-UHFFFAOYSA-N 1 0 207.281 0.329 20 30 BCEDRO C=CCNC(NC[C@@H]1CCC[C@H]1O)=[NH+]C ZINC000262375174 135118072 /nfs/dbraw/zinc/11/80/72/135118072.db2.gz JHXWOESDFPBANS-VHSXEESVSA-N 1 0 211.309 0.498 20 30 BCEDRO C[NH+]=C(NC[C@](C)(O)c1ccco1)N(C)C ZINC000262350925 135118189 /nfs/dbraw/zinc/11/81/89/135118189.db2.gz HIYMZHXVRFXUFD-NSHDSACASA-N 1 0 225.292 0.624 20 30 BCEDRO C=CCNC(NCCN1CCSCC1)=[NH+]C ZINC000262365204 135118250 /nfs/dbraw/zinc/11/82/50/135118250.db2.gz HOWSJIXXBIOEKK-UHFFFAOYSA-N 1 0 242.392 0.386 20 30 BCEDRO COc1ccc([C@@H](O)CNC2=[NH+]CCN2C)cc1 ZINC000262419812 135118676 /nfs/dbraw/zinc/11/86/76/135118676.db2.gz BBCFOPAVIQYMRN-LBPRGKRZSA-N 1 0 249.314 0.620 20 30 BCEDRO CN1CC[NH+]=C1NCc1ccc(O)c(F)c1 ZINC000262475857 135118943 /nfs/dbraw/zinc/11/89/43/135118943.db2.gz BXTBGDJWFBQTQC-UHFFFAOYSA-N 1 0 223.251 0.922 20 30 BCEDRO CN(C)[C@@]1(CNC(=[NH2+])NC2CC2)CCSC1 ZINC000262498085 135119055 /nfs/dbraw/zinc/11/90/55/135119055.db2.gz XFZRVHNGLWHFNE-LLVKDONJSA-N 1 0 242.392 0.490 20 30 BCEDRO [NH2+]=C(NC[C@@H]1COCCO1)N1CCCCCC1 ZINC000262563443 135119463 /nfs/dbraw/zinc/11/94/63/135119463.db2.gz XBUXITQEWZEXFB-LLVKDONJSA-N 1 0 241.335 0.593 20 30 BCEDRO CN1CC[NH+]=C1NCC(=O)Nc1ccccc1 ZINC000262631059 135119575 /nfs/dbraw/zinc/11/95/75/135119575.db2.gz FSSLSPJTSHFTLM-UHFFFAOYSA-N 1 0 232.287 0.516 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2ccc(C(N)=O)cc2)N1 ZINC000262663441 135120429 /nfs/dbraw/zinc/12/04/29/135120429.db2.gz NSIFKEHDLQCJGP-QMMMGPOBSA-N 1 0 232.287 0.223 20 30 BCEDRO CN1CC[NH+]=C1NCCn1cnc2ccccc21 ZINC000262664837 135120531 /nfs/dbraw/zinc/12/05/31/135120531.db2.gz OGSYHYCWFMMQNJ-UHFFFAOYSA-N 1 0 243.314 0.927 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@](C)(O)c2ccsc2)N1 ZINC000262679981 135121126 /nfs/dbraw/zinc/12/11/26/135121126.db2.gz VQNOGNZZQNFOLS-KCJUWKMLSA-N 1 0 239.344 0.893 20 30 BCEDRO Cc1ccc(CNC(=[NH2+])NC2CC2)c(=O)n1C ZINC000262779989 135121642 /nfs/dbraw/zinc/12/16/42/135121642.db2.gz KUIUUZOVAPCMBK-UHFFFAOYSA-N 1 0 234.303 0.260 20 30 BCEDRO [NH2+]=C(NC[C@@]1(O)CCc2ccccc21)NC1CC1 ZINC000262796205 135122475 /nfs/dbraw/zinc/12/24/75/135122475.db2.gz PPAWBKOZTZLNMI-AWEZNQCLSA-N 1 0 245.326 0.887 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@]1(O)CCO[C@H]1C ZINC000262862401 135122569 /nfs/dbraw/zinc/12/25/69/135122569.db2.gz UGDRXIDAQXHQEA-GXSJLCMTSA-N 1 0 227.308 0.007 20 30 BCEDRO C[NH+]=C(NCCn1ccnc1C)NCC1CC1 ZINC000262819705 135122747 /nfs/dbraw/zinc/12/27/47/135122747.db2.gz PLDLTDFFNLYABL-UHFFFAOYSA-N 1 0 235.335 0.767 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCNc1ccccn1 ZINC000264069172 135130929 /nfs/dbraw/zinc/13/09/29/135130929.db2.gz FVOLETYEOUTVBT-UHFFFAOYSA-N 1 0 233.319 0.974 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCCn1cccn1 ZINC000264062215 135131079 /nfs/dbraw/zinc/13/10/79/135131079.db2.gz DBBWBBBEXWRQOX-SNVBAGLBSA-N 1 0 239.323 0.212 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H](O)c1ccccc1OC ZINC000264064880 135131095 /nfs/dbraw/zinc/13/10/95/135131095.db2.gz ASXKHIFWDUBSKK-LLVKDONJSA-N 1 0 249.314 0.819 20 30 BCEDRO C=CCNC(=[NH2+])NCCNc1ccccn1 ZINC000264060738 135131373 /nfs/dbraw/zinc/13/13/73/135131373.db2.gz CRNJKTGQLQIVKZ-UHFFFAOYSA-N 1 0 219.292 0.584 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](c1ccsc1)N(C)C ZINC000264074436 135131710 /nfs/dbraw/zinc/13/17/10/135131710.db2.gz FEDKSWSCCFLCHW-VIFPVBQESA-N 1 0 226.349 0.885 20 30 BCEDRO CN(C)C(=[NH+]CCn1ccnc1)N(C)C ZINC000264077745 135131809 /nfs/dbraw/zinc/13/18/09/135131809.db2.gz HUABORCMYPZQJC-UHFFFAOYSA-N 1 0 209.297 0.362 20 30 BCEDRO CN(C)C(=[NH2+])NCCc1cccc(O)c1 ZINC000264087024 135132471 /nfs/dbraw/zinc/13/24/71/135132471.db2.gz JVDUAKRLWGKTGZ-UHFFFAOYSA-N 1 0 207.277 0.811 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(C(=O)NCC)cc1 ZINC000264091579 135132495 /nfs/dbraw/zinc/13/24/95/135132495.db2.gz LAYBKVWGYHRQAA-UHFFFAOYSA-N 1 0 248.330 0.861 20 30 BCEDRO COCCNC(=[NH2+])NCCCc1c[nH]nc1C ZINC000264098754 135133014 /nfs/dbraw/zinc/13/30/14/135133014.db2.gz MGCNESGIUUUAQS-UHFFFAOYSA-N 1 0 239.323 0.201 20 30 BCEDRO NC(=O)c1cccc(CNC(=[NH2+])NC2CC2)c1 ZINC000264106149 135133167 /nfs/dbraw/zinc/13/31/67/135133167.db2.gz POBMPHPTJKIIKJ-UHFFFAOYSA-N 1 0 232.287 0.352 20 30 BCEDRO CNC(=[NH2+])NCCOc1ccc2c(c1)OCO2 ZINC000264106138 135133172 /nfs/dbraw/zinc/13/31/72/135133172.db2.gz PMZNTCPDTNBLRD-UHFFFAOYSA-N 1 0 237.259 0.328 20 30 BCEDRO COc1ccccc1[C@H](O)CNC(N)=[NH2+] ZINC000264103218 135133194 /nfs/dbraw/zinc/13/31/94/135133194.db2.gz OQGYCXLDFQESIM-MRVPVSSYSA-N 1 0 209.249 0.002 20 30 BCEDRO NC(=[NH2+])NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000264105513 135133222 /nfs/dbraw/zinc/13/32/22/135133222.db2.gz PINIULVBIFCWIS-VIFPVBQESA-N 1 0 225.267 0.250 20 30 BCEDRO CNC(NC[C@@H](O)c1ccccc1F)=[NH+]C ZINC000264101599 135133281 /nfs/dbraw/zinc/13/32/81/135133281.db2.gz OGAKDPYRAJHGGL-SNVBAGLBSA-N 1 0 225.267 0.654 20 30 BCEDRO NC(=[NH2+])NCc1ccc(N2CCCC2)nc1 ZINC000264110490 135133650 /nfs/dbraw/zinc/13/36/50/135133650.db2.gz OULNJFTVFMTPNP-UHFFFAOYSA-N 1 0 219.292 0.455 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCC(=O)N[C@H](C)CC ZINC000264112530 135133716 /nfs/dbraw/zinc/13/37/16/135133716.db2.gz RHIGKLVIKQGCCZ-SNVBAGLBSA-N 1 0 240.351 0.772 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1cccnc1 ZINC000264113986 135133794 /nfs/dbraw/zinc/13/37/94/135133794.db2.gz PMKBPHBGLJSSEQ-VIFPVBQESA-N 1 0 222.292 0.521 20 30 BCEDRO CN(C[C@@H]1CCC[N@H+](C)C1)C(=O)CC#N ZINC000258752765 135133966 /nfs/dbraw/zinc/13/39/66/135133966.db2.gz URDLTYUZAQPIIZ-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO C=CCNC(=[NH2+])NCCNC(=O)c1ccco1 ZINC000264125552 135134233 /nfs/dbraw/zinc/13/42/33/135134233.db2.gz SBWYJADQODPTTR-UHFFFAOYSA-N 1 0 236.275 0.100 20 30 BCEDRO CNC(=[NH2+])NC[C@H](c1cccc(F)c1)N(C)C ZINC000264125508 135134471 /nfs/dbraw/zinc/13/44/71/135134471.db2.gz SBHOKDCGXOHBRQ-LLVKDONJSA-N 1 0 238.310 0.963 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC(=O)N1CCCCC1 ZINC000264125893 135134510 /nfs/dbraw/zinc/13/45/10/135134510.db2.gz WGGYYEBQCURFGL-UHFFFAOYSA-N 1 0 238.335 0.479 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(N(C)C)cc1 ZINC000264123079 135134541 /nfs/dbraw/zinc/13/45/41/135134541.db2.gz ROKOOHRXIZXHRA-UHFFFAOYSA-N 1 0 206.293 0.787 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCn1ccnc1C ZINC000264130760 135135227 /nfs/dbraw/zinc/13/52/27/135135227.db2.gz XZTZBSFLTZVQTG-VIFPVBQESA-N 1 0 223.324 0.894 20 30 BCEDRO [NH2+]=C(NCCOc1ccccc1)N1CCOCC1 ZINC000264128621 135135253 /nfs/dbraw/zinc/13/52/53/135135253.db2.gz SUDZBBLBDMEXHH-UHFFFAOYSA-N 1 0 249.314 0.712 20 30 BCEDRO C=CCNC(=[NH2+])NCCCN1CCCC1=O ZINC000264153292 135135492 /nfs/dbraw/zinc/13/54/92/135135492.db2.gz ZTEBAJKQVVMXFL-UHFFFAOYSA-N 1 0 224.308 0.089 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ccc(O)cc1 ZINC000264144816 135135637 /nfs/dbraw/zinc/13/56/37/135135637.db2.gz XRDRYVODGIADSU-VIFPVBQESA-N 1 0 237.303 0.831 20 30 BCEDRO CC(C)CNC(=[NH2+])NCCCc1cnn(C)c1 ZINC000264255666 135137161 /nfs/dbraw/zinc/13/71/61/135137161.db2.gz IDTWNRYQJAQCRE-UHFFFAOYSA-N 1 0 237.351 0.913 20 30 BCEDRO NC(=[NH2+])NCCCNC(=O)c1cccs1 ZINC000264251225 135137232 /nfs/dbraw/zinc/13/72/32/135137232.db2.gz HEIYDWWSYQYGHS-UHFFFAOYSA-N 1 0 226.305 0.141 20 30 BCEDRO CCNC(=[NH2+])NCCCc1cnn(C)c1 ZINC000264299390 135138065 /nfs/dbraw/zinc/13/80/65/135138065.db2.gz RLOAIHRAMBDZDB-UHFFFAOYSA-N 1 0 209.297 0.277 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)/C=C/C[NH+](C)C ZINC000265676633 135145678 /nfs/dbraw/zinc/14/56/78/135145678.db2.gz IJMSGHUMFNCOGY-PORFMDCZSA-N 1 0 209.293 0.865 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)NC1(C#N)CCC1 ZINC000265652694 135145727 /nfs/dbraw/zinc/14/57/27/135145727.db2.gz OUMQNNWNOCUBHY-HWKANZROSA-N 1 0 207.277 0.667 20 30 BCEDRO C=CCNC(=[NH2+])NCC[S@](=O)C(C)(C)C ZINC000267430388 135153949 /nfs/dbraw/zinc/15/39/49/135153949.db2.gz MKYZKHCDERPUEB-HNNXBMFYSA-N 1 0 231.365 0.624 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@](C)(O)c1ccco1 ZINC000267425563 135154030 /nfs/dbraw/zinc/15/40/30/135154030.db2.gz LKNMUZJWXPKRJM-LLVKDONJSA-N 1 0 241.291 0.038 20 30 BCEDRO CN(C)C(=[NH2+])NCc1cccc(-n2cncn2)c1 ZINC000267447700 135154749 /nfs/dbraw/zinc/15/47/49/135154749.db2.gz QMVKWNQGDQZKHF-UHFFFAOYSA-N 1 0 244.302 0.644 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1ccncc1 ZINC000267442286 135154907 /nfs/dbraw/zinc/15/49/07/135154907.db2.gz PHXAPHNWYRVOME-UHFFFAOYSA-N 1 0 204.277 0.714 20 30 BCEDRO CCCNC(=[NH2+])NCCCc1[nH]nc(N)c1C#N ZINC000267475257 135154959 /nfs/dbraw/zinc/15/49/59/135154959.db2.gz ZASWSVDEKYQHHM-UHFFFAOYSA-N 1 0 249.322 0.110 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC2(CO)CCCC2)N1 ZINC000261530594 135158213 /nfs/dbraw/zinc/15/82/13/135158213.db2.gz CTPFHEKWSOFFDG-SECBINFHSA-N 1 0 211.309 0.476 20 30 BCEDRO C=CCNC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000268095842 135158447 /nfs/dbraw/zinc/15/84/47/135158447.db2.gz VKSLJQWABOIKCZ-SNVBAGLBSA-N 1 0 227.308 0.272 20 30 BCEDRO CC(C)CNC(=[NH2+])NC[C@@]1(O)CCO[C@H]1C ZINC000261533949 135165723 /nfs/dbraw/zinc/16/57/23/135165723.db2.gz LZJIKXSGRSAPHU-ONGXEEELSA-N 1 0 229.324 0.087 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCc2ccncc2)N1 ZINC000261534388 135166789 /nfs/dbraw/zinc/16/67/89/135166789.db2.gz MERCAEGRTOBGKV-SECBINFHSA-N 1 0 204.277 0.561 20 30 BCEDRO C[C@@H]1OCC[C@]1(O)CNC(=[NH2+])NC(C)(C)C ZINC000261534205 135166851 /nfs/dbraw/zinc/16/68/51/135166851.db2.gz OSAJNZZHBKRFJI-KWQFWETISA-N 1 0 229.324 0.229 20 30 BCEDRO COCC1(CNC2=[NH+]C[C@H](C)N2)CCC1 ZINC000261535624 135170617 /nfs/dbraw/zinc/17/06/17/135170617.db2.gz OUZYFRWLDRRHNN-VIFPVBQESA-N 1 0 211.309 0.740 20 30 BCEDRO C[C@H]1C[NH+]=C(NCc2cccc3c2OCO3)N1 ZINC000261549560 135188762 /nfs/dbraw/zinc/18/87/62/135188762.db2.gz KQCCWDQNWIPSCH-QMMMGPOBSA-N 1 0 233.271 0.853 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H]1C[NH2+]C ZINC000261553486 135193215 /nfs/dbraw/zinc/19/32/15/135193215.db2.gz SOCZUPPOXWWLRS-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO CC(C)CNC(=[NH2+])NC[C@H]1CCC[C@@H]1O ZINC000084239241 135194593 /nfs/dbraw/zinc/19/45/93/135194593.db2.gz TXHREJAYNWOFQE-ZJUUUORDSA-N 1 0 213.325 0.708 20 30 BCEDRO N#Cc1cccc(N2CC[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000261557701 135198155 /nfs/dbraw/zinc/19/81/55/135198155.db2.gz RUWODXBITNHVGZ-MNOVXSKESA-N 1 0 228.299 0.999 20 30 BCEDRO C=CCOCC(=O)N1C[C@H](C)[NH2+]C[C@@H]1C ZINC000261559416 135200613 /nfs/dbraw/zinc/20/06/13/135200613.db2.gz ZBNRFJLEUMTCQZ-UWVGGRQHSA-N 1 0 212.293 0.398 20 30 BCEDRO CC[C@H](C)NC(=O)CCNC1=[NH+]C[C@@H](C)N1 ZINC000261564414 135206358 /nfs/dbraw/zinc/20/63/58/135206358.db2.gz CMYCDTRCFZRMKH-DTWKUNHWSA-N 1 0 226.324 0.229 20 30 BCEDRO C=CCOCC(=O)NC1CCC([NH3+])CC1 ZINC000261564827 135207141 /nfs/dbraw/zinc/20/71/41/135207141.db2.gz CSXWVWADOQLONE-UHFFFAOYSA-N 1 0 212.293 0.575 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H]1CO ZINC000042432841 135220268 /nfs/dbraw/zinc/22/02/68/135220268.db2.gz HQFJZZKAQSKDSG-LLVKDONJSA-N 1 0 239.319 0.205 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+]1CCC[C@H](O)C1 ZINC000042975611 135222929 /nfs/dbraw/zinc/22/29/29/135222929.db2.gz OLVWAEMULZUBOT-LBPRGKRZSA-N 1 0 238.331 0.644 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+](C)CC=C ZINC000121568736 135225582 /nfs/dbraw/zinc/22/55/82/135225582.db2.gz VSFFPRMKVHKVEL-VIFPVBQESA-N 1 0 225.292 0.505 20 30 BCEDRO C=CCOCC(=O)N1C[C@H](C[NH3+])C[C@@H]1C ZINC000261586271 135227658 /nfs/dbraw/zinc/22/76/58/135227658.db2.gz QYMNIVJZIQMOTQ-UWVGGRQHSA-N 1 0 212.293 0.385 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1CCC[C@@H]1CO ZINC000303253943 135228993 /nfs/dbraw/zinc/22/89/93/135228993.db2.gz DNCSVSTUHDSZHG-LLVKDONJSA-N 1 0 239.319 0.205 20 30 BCEDRO C=CCOCC(=O)N1CCC(C[NH3+])CC1 ZINC000261591442 135232008 /nfs/dbraw/zinc/23/20/08/135232008.db2.gz VJAUDKSYKBBAGM-UHFFFAOYSA-N 1 0 212.293 0.386 20 30 BCEDRO CC#CCN(C)C(=O)[C@H](C)N1CCOCC1 ZINC000341082096 135234159 /nfs/dbraw/zinc/23/41/59/135234159.db2.gz LKCNRAIQBAVIIL-NSHDSACASA-N 1 0 224.304 0.189 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1CC[NH2+]C[C@@H]1C ZINC000261546379 135238483 /nfs/dbraw/zinc/23/84/83/135238483.db2.gz KZBSPOOQARWSOC-UWVGGRQHSA-N 1 0 232.349 0.480 20 30 BCEDRO C#CCOCCC(=O)N1CCC[N@@H+](CC)CC1 ZINC000366737578 135240515 /nfs/dbraw/zinc/24/05/15/135240515.db2.gz HXJGTEAIJFIBRB-UHFFFAOYSA-N 1 0 238.331 0.581 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCC(=O)N2CCCCC2)N1 ZINC000261547663 135240855 /nfs/dbraw/zinc/24/08/55/135240855.db2.gz ILJNRWAQQUCTJT-JTQLQIEISA-N 1 0 238.335 0.326 20 30 BCEDRO CCN(CCC#N)C(=O)C[N@@H+]1CC[C@@H](CO)C1 ZINC000304319056 135243346 /nfs/dbraw/zinc/24/33/46/135243346.db2.gz SCPNNLUHHHUHFU-LLVKDONJSA-N 1 0 239.319 0.063 20 30 BCEDRO CN/C(=[NH+]\C)N(C)CCC1CCOCC1 ZINC000261710307 135247544 /nfs/dbraw/zinc/24/75/44/135247544.db2.gz HCTJRLSRWCFQET-UHFFFAOYSA-N 1 0 213.325 0.940 20 30 BCEDRO N#CCNC(=O)C[N@H+]1CCCCC[C@H]1CCO ZINC000342073044 135247774 /nfs/dbraw/zinc/24/77/74/135247774.db2.gz VFCCFIBIQJSXLR-NSHDSACASA-N 1 0 239.319 0.253 20 30 BCEDRO [NH2+]=C(NCC1CCC1)NC[C@H]1CCCO1 ZINC000261729397 135248225 /nfs/dbraw/zinc/24/82/25/135248225.db2.gz HBWHIHDLMDDUID-SNVBAGLBSA-N 1 0 211.309 0.870 20 30 BCEDRO C[C@@H]1C[C@@H]1CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000261734963 135248922 /nfs/dbraw/zinc/24/89/22/135248922.db2.gz HUAKCJDQMRBCPJ-OPRDCNLKSA-N 1 0 211.309 0.726 20 30 BCEDRO Cn1cc(CNC(=[NH2+])NC[C@H]2CCCO2)cn1 ZINC000261738558 135249299 /nfs/dbraw/zinc/24/92/99/135249299.db2.gz IFMDKSOKYBUNOW-SNVBAGLBSA-N 1 0 237.307 0.003 20 30 BCEDRO [NH2+]=C(NCCC1(O)CCC1)NC[C@@H]1CCCO1 ZINC000261747734 135250119 /nfs/dbraw/zinc/25/01/19/135250119.db2.gz JFSHJFOEIIXQJP-JTQLQIEISA-N 1 0 241.335 0.375 20 30 BCEDRO CCC[N@H+](C)CC(=O)N1CCSC[C@@H]1C#N ZINC000342207340 135253105 /nfs/dbraw/zinc/25/31/05/135253105.db2.gz BQWUFDCESCTJRO-JTQLQIEISA-N 1 0 241.360 0.796 20 30 BCEDRO C/[NH+]=C(\N(C)C)N1CCC[C@H](CC(N)=O)C1 ZINC000261812885 135255112 /nfs/dbraw/zinc/25/51/12/135255112.db2.gz SVFIVWUGNUEYCD-IAJSMXOOSA-N 1 0 226.324 0.121 20 30 BCEDRO CNC(NCc1cccc(OC)n1)=[NH+]C ZINC000261879645 135259343 /nfs/dbraw/zinc/25/93/43/135259343.db2.gz QSXMBQGINLNFAS-UHFFFAOYSA-N 1 0 208.265 0.385 20 30 BCEDRO CNC(=O)N[C@H]1CCN(C[C@H](C#N)CCC#N)C1 ZINC000342355562 135260989 /nfs/dbraw/zinc/26/09/89/135260989.db2.gz OTQHHQBVVCXVSB-QWRGUYRKSA-N 1 0 249.318 0.433 20 30 BCEDRO CNC(=O)N[C@@H]1CCN(C[C@H](C#N)CCC#N)C1 ZINC000342355563 135261442 /nfs/dbraw/zinc/26/14/42/135261442.db2.gz OTQHHQBVVCXVSB-WDEREUQCSA-N 1 0 249.318 0.433 20 30 BCEDRO Cc1cc(CNC(=[NH2+])NC(C)C)n(C)n1 ZINC000261907129 135261560 /nfs/dbraw/zinc/26/15/60/135261560.db2.gz XJXNMXOYAQMNIH-UHFFFAOYSA-N 1 0 209.297 0.541 20 30 BCEDRO COCCNC(=[NH2+])NCC1(O)CCCCC1 ZINC000261914108 135262709 /nfs/dbraw/zinc/26/27/09/135262709.db2.gz YXKPMNAFANJJTH-UHFFFAOYSA-N 1 0 229.324 0.232 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCOC1)NC[C@H]1CCCO1 ZINC000261914203 135262992 /nfs/dbraw/zinc/26/29/92/135262992.db2.gz ZAABVUUGRBRXMZ-NXEZZACHSA-N 1 0 227.308 0.106 20 30 BCEDRO [NH2+]=C(NCCn1cncn1)NC1CCCCC1 ZINC000261965240 135266675 /nfs/dbraw/zinc/26/66/75/135266675.db2.gz AZTWEESZOPCQRC-UHFFFAOYSA-N 1 0 236.323 0.515 20 30 BCEDRO [NH2+]=C(NCc1noc(C2CC2)n1)NC1CC1 ZINC000261973098 135267629 /nfs/dbraw/zinc/26/76/29/135267629.db2.gz UUPYYSBBQLBTAI-UHFFFAOYSA-N 1 0 221.264 0.514 20 30 BCEDRO CC(C)NC(=[NH2+])NCCN1CCOC[C@H]1C ZINC000261973156 135267687 /nfs/dbraw/zinc/26/76/87/135267687.db2.gz DZHRBJOGQVNOEX-SNVBAGLBSA-N 1 0 228.340 0.020 20 30 BCEDRO Cc1noc(CNC(=[NH2+])N2CCC[C@H](C)C2)n1 ZINC000261969656 135268044 /nfs/dbraw/zinc/26/80/44/135268044.db2.gz CRUXJXJPMUILQZ-QMMMGPOBSA-N 1 0 237.307 0.925 20 30 BCEDRO CN(C)C(=O)CNC(=[NH2+])NC1CCCCCC1 ZINC000261984604 135269402 /nfs/dbraw/zinc/26/94/02/135269402.db2.gz JHSIOXHEPVJKLH-UHFFFAOYSA-N 1 0 240.351 0.702 20 30 BCEDRO [NH2+]=C(NC[C@H](O)C1CCCCC1)NC1CC1 ZINC000262089460 135278366 /nfs/dbraw/zinc/27/83/66/135278366.db2.gz GSDNADDDXAKCDB-NSHDSACASA-N 1 0 225.336 0.994 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@H]1CCOC[C@H]1C ZINC000262120401 135279869 /nfs/dbraw/zinc/27/98/69/135279869.db2.gz LXTLTWIKJVQXTR-NXEZZACHSA-N 1 0 211.309 0.749 20 30 BCEDRO C=CCNC(=O)N[C@@H](C[NH3+])C1CCCC1 ZINC000262224175 135286329 /nfs/dbraw/zinc/28/63/29/135286329.db2.gz NAKYFDDUHMYTKJ-JTQLQIEISA-N 1 0 211.309 0.989 20 30 BCEDRO CN(C)C(=[NH2+])NCc1nnc2n1CCCCC2 ZINC000262274428 135288655 /nfs/dbraw/zinc/28/86/55/135288655.db2.gz KVKAQHLTBSIYRA-UHFFFAOYSA-N 1 0 236.323 0.381 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2ccc(CO)c(F)c2)N1 ZINC000262202035 135289750 /nfs/dbraw/zinc/28/97/50/135289750.db2.gz AZFZQEHVVISTIH-MRVPVSSYSA-N 1 0 237.278 0.755 20 30 BCEDRO COCc1nc(CNC2=[NH+]C[C@H](C)N2)cs1 ZINC000262280526 135290053 /nfs/dbraw/zinc/29/00/53/135290053.db2.gz IZVNZCCINAVQOG-ZETCQYMHSA-N 1 0 240.332 0.727 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCC(=O)N(C)C)C1 ZINC000262207618 135290069 /nfs/dbraw/zinc/29/00/69/135290069.db2.gz DPDZUANIHNZPFS-VIFPVBQESA-N 1 0 226.324 0.121 20 30 BCEDRO C[NH+]=C(NCc1ccco1)NCc1cnnn1C ZINC000262298100 135291197 /nfs/dbraw/zinc/29/11/97/135291197.db2.gz JSZWDOFQQQVILW-UHFFFAOYSA-N 1 0 248.290 0.273 20 30 BCEDRO C=CCNC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000262297508 135291334 /nfs/dbraw/zinc/29/13/34/135291334.db2.gz WYBVVXHOQQCNPT-NXEZZACHSA-N 1 0 211.309 0.941 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCSC1)N1CCOCC1 ZINC000262293595 135291571 /nfs/dbraw/zinc/29/15/71/135291571.db2.gz ICPSTGZOGOJNJU-JTQLQIEISA-N 1 0 243.376 0.777 20 30 BCEDRO C=CCNC(=O)N[C@H](C)[C@H]1CCC[NH2+]C1 ZINC000262309325 135291954 /nfs/dbraw/zinc/29/19/54/135291954.db2.gz YSILCZXXWXZUFR-ZJUUUORDSA-N 1 0 211.309 0.860 20 30 BCEDRO Cc1nnc(CCNC2=[NH+]C[C@H](C)N2)s1 ZINC000262316293 135292321 /nfs/dbraw/zinc/29/23/21/135292321.db2.gz QRNVWFCWZQMAKE-LURJTMIESA-N 1 0 225.321 0.326 20 30 BCEDRO C=CCNC(=O)NCC1(COC)CC[NH2+]CC1 ZINC000262315256 135292370 /nfs/dbraw/zinc/29/23/70/135292370.db2.gz ZOJCEYFVLGXTOY-UHFFFAOYSA-N 1 0 241.335 0.488 20 30 BCEDRO C[NH+]=C(NCC(=O)OC(C)(C)C)N1CCCC1 ZINC000262316036 135292490 /nfs/dbraw/zinc/29/24/90/135292490.db2.gz UKGSDFKXRTXVQB-UHFFFAOYSA-N 1 0 241.335 0.999 20 30 BCEDRO CN(C)C(=[NH2+])NCC(=O)N(C)C1CCCCC1 ZINC000262340871 135293584 /nfs/dbraw/zinc/29/35/84/135293584.db2.gz COOXXQWRFGZZCQ-UHFFFAOYSA-N 1 0 240.351 0.654 20 30 BCEDRO CCc1nnc(CNC(=[NH2+])NC(C)C)s1 ZINC000262401037 135295558 /nfs/dbraw/zinc/29/55/58/135295558.db2.gz VAJLKIIDVSKMLC-UHFFFAOYSA-N 1 0 227.337 0.913 20 30 BCEDRO CC(C)NC(=[NH2+])NCCn1cc([N+](=O)[O-])cn1 ZINC000262424195 135296411 /nfs/dbraw/zinc/29/64/11/135296411.db2.gz GUFIAKBJFATVEB-UHFFFAOYSA-N 1 0 240.267 0.104 20 30 BCEDRO CN(C)C(=[NH+]CCC1(C)OCCO1)N(C)C ZINC000262375333 135297549 /nfs/dbraw/zinc/29/75/49/135297549.db2.gz MZDUJNUFQGAWBB-UHFFFAOYSA-N 1 0 229.324 0.619 20 30 BCEDRO CCO[C@@H]1C[C@@H](NC(=[NH2+])NC)[C@]12CCCO2 ZINC000262384684 135298593 /nfs/dbraw/zinc/29/85/93/135298593.db2.gz PLYFDVKVOCPFAS-FXPVBKGRSA-N 1 0 227.308 0.247 20 30 BCEDRO N#CCC1(CNC(=[NH2+])NC[C@H]2CCCO2)CC1 ZINC000262386657 135298907 /nfs/dbraw/zinc/29/89/07/135298907.db2.gz HWFWWWNLMMVZCO-SNVBAGLBSA-N 1 0 236.319 0.764 20 30 BCEDRO CN(C)C(=[NH+]C[C@]1(CCO)CCOC1)N(C)C ZINC000262460646 135299999 /nfs/dbraw/zinc/29/99/99/135299999.db2.gz FUFDCIYBSPUGSK-LBPRGKRZSA-N 1 0 243.351 0.255 20 30 BCEDRO C=C(Cl)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262458449 135300030 /nfs/dbraw/zinc/30/00/30/135300030.db2.gz LUGUPYSYDMDDFU-QMMMGPOBSA-N 1 0 217.700 0.774 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ncccc1O ZINC000262456323 135300108 /nfs/dbraw/zinc/30/01/08/135300108.db2.gz LFZARFQNSCLPLE-QMMMGPOBSA-N 1 0 238.291 0.226 20 30 BCEDRO CN(C)C(=[NH+]Cc1ncccc1O)N(C)C ZINC000262463286 135300718 /nfs/dbraw/zinc/30/07/18/135300718.db2.gz NDDLLYOJOIFWBJ-UHFFFAOYSA-N 1 0 222.292 0.766 20 30 BCEDRO C=CCNC(=[NH2+])N[C@@H]1CCn2ccnc2C1 ZINC000262466579 135300730 /nfs/dbraw/zinc/30/07/30/135300730.db2.gz YDGGQIWWDGUZJX-SECBINFHSA-N 1 0 219.292 0.288 20 30 BCEDRO Cc1cccnc1CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262472695 135301183 /nfs/dbraw/zinc/30/11/83/135301183.db2.gz PHEWMQIEKBHIOJ-NSHDSACASA-N 1 0 248.330 0.925 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@H]2CCCO2)CCO1 ZINC000262467059 135301340 /nfs/dbraw/zinc/30/13/40/135301340.db2.gz NWQUUZXJTHIHHP-NXEZZACHSA-N 1 0 227.308 0.201 20 30 BCEDRO CN1CC[NH+]=C1NCC(=O)NC1CCCCC1 ZINC000262478001 135301774 /nfs/dbraw/zinc/30/17/74/135301774.db2.gz CNJCPFRTVBASMM-UHFFFAOYSA-N 1 0 238.335 0.326 20 30 BCEDRO CN1CC[NH+]=C1NCc1nnc2n1CCCC2 ZINC000262481020 135301805 /nfs/dbraw/zinc/30/18/05/135301805.db2.gz CXUSZVNRDDLYHA-UHFFFAOYSA-N 1 0 234.307 0.005 20 30 BCEDRO CN(C)[C@@]1(CNC2=[NH+]CCN2C)CCSC1 ZINC000262477865 135301924 /nfs/dbraw/zinc/30/19/24/135301924.db2.gz CLZZCVLBSCMRIS-LLVKDONJSA-N 1 0 242.392 0.315 20 30 BCEDRO C[C@]1(CNC(=[NH2+])NC2CC2)CCCC[C@H]1O ZINC000262492993 135302396 /nfs/dbraw/zinc/30/23/96/135302396.db2.gz VMEWTMJKKVCTMB-ZYHUDNBSSA-N 1 0 225.336 0.994 20 30 BCEDRO CCCNC(=[NH2+])NCC1(S(C)(=O)=O)CCC1 ZINC000262496309 135302704 /nfs/dbraw/zinc/30/27/04/135302704.db2.gz WPBBIENWSVOGNR-UHFFFAOYSA-N 1 0 247.364 0.268 20 30 BCEDRO [NH2+]=C(NCC1(O)CCC1)N1CCSCC1 ZINC000262514628 135304222 /nfs/dbraw/zinc/30/42/22/135304222.db2.gz FUKOWYZMPXGXAX-UHFFFAOYSA-N 1 0 229.349 0.265 20 30 BCEDRO Cc1nc(CNC(=[NH2+])N2CCSCC2)no1 ZINC000262550512 135305295 /nfs/dbraw/zinc/30/52/95/135305295.db2.gz XUMRBBVLXVWONP-UHFFFAOYSA-N 1 0 241.320 0.242 20 30 BCEDRO [NH2+]=C(NCCOC(F)(F)F)NC1CC1 ZINC000262547370 135305793 /nfs/dbraw/zinc/30/57/93/135305793.db2.gz SHXBSBNLFLRQKW-UHFFFAOYSA-N 1 0 211.187 0.590 20 30 BCEDRO [NH2+]=C(NCc1ccc(F)cn1)NC1CC1 ZINC000262559653 135305809 /nfs/dbraw/zinc/30/58/09/135305809.db2.gz VYJFATIUAJQDKM-UHFFFAOYSA-N 1 0 208.240 0.787 20 30 BCEDRO CN(C)c1ncc(CNC(=[NH2+])NC2CC2)n1C ZINC000262620009 135308932 /nfs/dbraw/zinc/30/89/32/135308932.db2.gz CKTWCMQRUHIZIT-UHFFFAOYSA-N 1 0 236.323 0.053 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCC2([S@](C)=O)CCC2)N1 ZINC000262629413 135309404 /nfs/dbraw/zinc/30/94/04/135309404.db2.gz FJZNIAWIANEOTR-GLEZIHRCSA-N 1 0 229.349 0.225 20 30 BCEDRO CN1CC[NH+]=C1NCCc1ccc2c[nH]nc2c1 ZINC000262624895 135309609 /nfs/dbraw/zinc/30/96/09/135309609.db2.gz DFQGTDBOCNOMQW-UHFFFAOYSA-N 1 0 243.314 0.996 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@H](O)c1ccccc1F ZINC000262639631 135309969 /nfs/dbraw/zinc/30/99/69/135309969.db2.gz HMZZZMVTOJVGTK-LLVKDONJSA-N 1 0 237.278 0.750 20 30 BCEDRO Cc1cncc(CNC2=[NH+]CCN2C)c1 ZINC000262635691 135310321 /nfs/dbraw/zinc/31/03/21/135310321.db2.gz GRTXALXKZABBCS-UHFFFAOYSA-N 1 0 204.277 0.781 20 30 BCEDRO CCn1cc(CNC2=[NH+]CCN2C)cn1 ZINC000262640957 135310526 /nfs/dbraw/zinc/31/05/26/135310526.db2.gz HUGMVYLEIQBFLW-UHFFFAOYSA-N 1 0 207.281 0.294 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCN2CCOC(C)(C)C2)N1 ZINC000262648091 135310927 /nfs/dbraw/zinc/31/09/27/135310927.db2.gz JRVCTDYIFARXEN-SNVBAGLBSA-N 1 0 240.351 0.035 20 30 BCEDRO CO[C@@H]1CCC[C@@H]1CNC1=[NH+]CCN1C ZINC000262653959 135311034 /nfs/dbraw/zinc/31/10/34/135311034.db2.gz KZEXFKOKNCLZKV-NXEZZACHSA-N 1 0 211.309 0.693 20 30 BCEDRO CC(C)Cn1ccnc1CNC1=[NH+]C[C@H](C)N1 ZINC000262643939 135311494 /nfs/dbraw/zinc/31/14/94/135311494.db2.gz IMUARQYQOFOAHH-JTQLQIEISA-N 1 0 235.335 0.976 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H]2CCOC[C@H]2C)N1 ZINC000262676630 135313003 /nfs/dbraw/zinc/31/30/03/135313003.db2.gz UEXROWSYJNHDFO-BBBLOLIVSA-N 1 0 211.309 0.596 20 30 BCEDRO CN1CC[NH+]=C1NC[C@@](C)(O)c1ccsc1 ZINC000262679888 135313083 /nfs/dbraw/zinc/31/30/83/135313083.db2.gz VNTHIZKXVNJZDU-LLVKDONJSA-N 1 0 239.344 0.847 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCCN(C)[C@@H]1C ZINC000342712286 135313949 /nfs/dbraw/zinc/31/39/49/135313949.db2.gz MQLMYTYVQKOREG-QJPTWQEYSA-N 1 0 239.363 0.749 20 30 BCEDRO CN1CC[NH+]=C1N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C ZINC000262686846 135314236 /nfs/dbraw/zinc/31/42/36/135314236.db2.gz YQOVTLAEYFNDCY-IVZWLZJFSA-N 1 0 223.320 0.691 20 30 BCEDRO CN(C(=[NH2+])NCC1([S@](C)=O)CCC1)C1CC1 ZINC000262696285 135314974 /nfs/dbraw/zinc/31/49/74/135314974.db2.gz DVGLSMKAPMLMGB-INIZCTEOSA-N 1 0 243.376 0.697 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)Nc1ccncc1 ZINC000342726841 135315486 /nfs/dbraw/zinc/31/54/86/135315486.db2.gz AATOCAXAIXGUCE-UHFFFAOYSA-N 1 0 219.288 0.950 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H]2CCC[C@@H]([NH3+])[C@@H]2C1 ZINC000342734204 135316617 /nfs/dbraw/zinc/31/66/17/135316617.db2.gz MSBBXGWXJCJQTN-QJPTWQEYSA-N 1 0 238.331 0.775 20 30 BCEDRO C=CCC[N@@H+](C)CCC(=O)N1CCOCC1 ZINC000342735538 135316700 /nfs/dbraw/zinc/31/67/00/135316700.db2.gz HWJUCSIIFZSUCV-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO CNC(NC[C@@H]1CSCCS1)=[NH+]C ZINC000262747251 135316768 /nfs/dbraw/zinc/31/67/68/135316768.db2.gz MFNQQTIVRHFGBE-SSDOTTSWSA-N 1 0 219.379 0.630 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCCN2CCC2)C1 ZINC000262791684 135318169 /nfs/dbraw/zinc/31/81/69/135318169.db2.gz OFLYQAQWMXXAHI-NSHDSACASA-N 1 0 224.352 0.739 20 30 BCEDRO [NH2+]=C(NCCN1CCC1)NC1CCCCC1 ZINC000262811382 135318792 /nfs/dbraw/zinc/31/87/92/135318792.db2.gz VGKUYQGKBAXOSG-UHFFFAOYSA-N 1 0 224.352 0.929 20 30 BCEDRO C[NH+]=C(NCc1ccc(C)n(C)c1=O)NC1CC1 ZINC000262799282 135319338 /nfs/dbraw/zinc/31/93/38/135319338.db2.gz QJZRUACTZSDNNJ-UHFFFAOYSA-N 1 0 248.330 0.521 20 30 BCEDRO C[S@@](=O)C1(CNC(=[NH2+])NC2CCCC2)CC1 ZINC000262813271 135320280 /nfs/dbraw/zinc/32/02/80/135320280.db2.gz VXCIVRNMMFQCRM-MRXNPFEDSA-N 1 0 243.376 0.744 20 30 BCEDRO C[NH+]=C(NCC1([S@@](C)=O)CCC1)NC1CC1 ZINC000262844281 135321266 /nfs/dbraw/zinc/32/12/66/135321266.db2.gz VEDZZRXIVQJVDG-MRXNPFEDSA-N 1 0 243.376 0.615 20 30 BCEDRO CN(C)C(=[NH2+])NCC1([S@@](C)=O)CCC1 ZINC000262850097 135321525 /nfs/dbraw/zinc/32/15/25/135321525.db2.gz WSTRUYNILZOEDN-CQSZACIVSA-N 1 0 217.338 0.164 20 30 BCEDRO CCn1cccc(CNC(=[NH2+])N(C)C2CC2)c1=O ZINC000262871135 135322482 /nfs/dbraw/zinc/32/24/82/135322482.db2.gz VABCSADETHEBGO-UHFFFAOYSA-N 1 0 248.330 0.777 20 30 BCEDRO COc1ccc(CNC(=[NH2+])NC(C)C)nc1 ZINC000262899552 135323224 /nfs/dbraw/zinc/32/32/24/135323224.db2.gz HWBXAKAHRFTUFV-UHFFFAOYSA-N 1 0 222.292 0.903 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[N@H+](C)CC[C@@H]1C ZINC000334166555 135323471 /nfs/dbraw/zinc/32/34/71/135323471.db2.gz AQJIULIILQCLQG-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCc1ccn(C)n1 ZINC000262999669 135326313 /nfs/dbraw/zinc/32/63/13/135326313.db2.gz OQVWARXGRFMADZ-QMMMGPOBSA-N 1 0 209.297 0.623 20 30 BCEDRO CO[C@H](CNC(=[NH2+])N1CCO[C@H](C)C1)C1CC1 ZINC000263066738 135330761 /nfs/dbraw/zinc/33/07/61/135330761.db2.gz GFWZXESXCDBLLL-MWLCHTKSSA-N 1 0 241.335 0.447 20 30 BCEDRO CN(C)C(=[NH+]C[C@H]1CCC[C@@H]1O)N(C)C ZINC000263078089 135330992 /nfs/dbraw/zinc/33/09/92/135330992.db2.gz HJSCUSUJMYUMGM-ZJUUUORDSA-N 1 0 213.325 0.627 20 30 BCEDRO Cc1ccncc1CNC(=[NH2+])N1CCC1 ZINC000263078943 135331424 /nfs/dbraw/zinc/33/14/24/135331424.db2.gz HNXXWXCFVBATBX-UHFFFAOYSA-N 1 0 204.277 0.910 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1ccn(CC)n1 ZINC000263091393 135331680 /nfs/dbraw/zinc/33/16/80/135331680.db2.gz IWKZPEKWLOHXOK-UHFFFAOYSA-N 1 0 221.308 0.883 20 30 BCEDRO CO[C@@H]1COCC[C@@H]1CNC(=[NH2+])NC1CCC1 ZINC000263126130 135334364 /nfs/dbraw/zinc/33/43/64/135334364.db2.gz MMITWFPQEFKGBZ-MWLCHTKSSA-N 1 0 241.335 0.495 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@]1(O)CCC[C@@H]1C ZINC000263118993 135334502 /nfs/dbraw/zinc/33/45/02/135334502.db2.gz LTWPLNKXSCIYKW-JBLDHEPKSA-N 1 0 243.351 0.477 20 30 BCEDRO C[C@@H]1CCC[C@@]1(O)CNC(=[NH2+])NC1CCC1 ZINC000263126362 135335227 /nfs/dbraw/zinc/33/52/27/135335227.db2.gz MNZLTARYQMCOGK-BXKDBHETSA-N 1 0 225.336 0.994 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@]2(O)CCCC2(C)C)N1 ZINC000263151085 135335656 /nfs/dbraw/zinc/33/56/56/135335656.db2.gz PKQAVHLSEFONFM-SKDRFNHKSA-N 1 0 225.336 0.865 20 30 BCEDRO [NH2+]=C(NCCc1cnccn1)NCC1CCC1 ZINC000263163172 135336129 /nfs/dbraw/zinc/33/61/29/135336129.db2.gz PEVBDEQXPRDSJC-UHFFFAOYSA-N 1 0 233.319 0.724 20 30 BCEDRO COc1ccncc1CNC(=[NH2+])N1CCC1 ZINC000263155070 135336197 /nfs/dbraw/zinc/33/61/97/135336197.db2.gz PWKRYCQMCHCKSF-UHFFFAOYSA-N 1 0 220.276 0.611 20 30 BCEDRO [NH2+]=C(NCCc1cnccn1)NC[C@H]1CCCO1 ZINC000263159201 135336210 /nfs/dbraw/zinc/33/62/10/135336210.db2.gz OGXQLILMEIPOBM-LLVKDONJSA-N 1 0 249.318 0.102 20 30 BCEDRO CNC(N[C@@H]1[C@H](C)[C@@H](OC)C1(C)C)=[NH+]C ZINC000263159196 135336292 /nfs/dbraw/zinc/33/62/92/135336292.db2.gz OGQKUVJQXRIGJO-DJLDLDEBSA-N 1 0 213.325 0.841 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])N[C@H]2C[C@@H](O)C2)C1 ZINC000263168771 135336934 /nfs/dbraw/zinc/33/69/34/135336934.db2.gz RQEXLZGBVDOKJS-BBBLOLIVSA-N 1 0 211.309 0.556 20 30 BCEDRO CO[C@H]1C[C@H](NC(=[NH2+])N(C)C)C12CCC2 ZINC000263170230 135337203 /nfs/dbraw/zinc/33/72/03/135337203.db2.gz RYWDDLVYNLNWCC-IUCAKERBSA-N 1 0 211.309 0.820 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@@H]1C[C@H](C)O[C@H]1C ZINC000263167958 135337405 /nfs/dbraw/zinc/33/74/05/135337405.db2.gz ROUHTAVPYBEGIA-NAKRPEOUSA-N 1 0 243.351 0.739 20 30 BCEDRO C[C@H]1CC[C@@H](CNC(=[NH2+])N2CCSCC2)O1 ZINC000263178255 135337763 /nfs/dbraw/zinc/33/77/63/135337763.db2.gz SZOBHPBRBKMYLD-UWVGGRQHSA-N 1 0 243.376 0.917 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCC[C@@H]1O)NC1CCC1 ZINC000263185619 135337954 /nfs/dbraw/zinc/33/79/54/135337954.db2.gz UTLQSWSZGQQZMQ-SCZZXKLOSA-N 1 0 211.309 0.604 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC[C@@H]1O ZINC000263181441 135337988 /nfs/dbraw/zinc/33/79/88/135337988.db2.gz UHDRFIYCGNILLO-AEJSXWLSSA-N 1 0 229.324 0.087 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCC1(C#N)CCC1 ZINC000263184766 135338222 /nfs/dbraw/zinc/33/82/22/135338222.db2.gz USKWSFIRPQVXEU-VIFPVBQESA-N 1 0 224.308 0.619 20 30 BCEDRO CO[C@@H]1CCC[C@@H]1CNC(=[NH2+])N1CCOCC1 ZINC000263191353 135338745 /nfs/dbraw/zinc/33/87/45/135338745.db2.gz YPCXSYXDEITILQ-GHMZBOCLSA-N 1 0 241.335 0.448 20 30 BCEDRO C[C@@H]1CC[C@@H](CNC(=[NH2+])N2CCO[C@H](C)C2)O1 ZINC000263209120 135339500 /nfs/dbraw/zinc/33/95/00/135339500.db2.gz YTJMBKRFCBFGEH-MXWKQRLJSA-N 1 0 241.335 0.589 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[NH+]3CCC2CC3)[nH]1 ZINC000334310209 135351072 /nfs/dbraw/zinc/35/10/72/135351072.db2.gz FYRXKHTWGOJEGV-UHFFFAOYSA-N 1 0 244.298 0.807 20 30 BCEDRO N#CC1CC[NH+]([C@H]2CCCCNC2=O)CC1 ZINC000079840997 135363427 /nfs/dbraw/zinc/36/34/27/135363427.db2.gz ZRLQPOPUQSGKIA-NSHDSACASA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCCn2cccn2)N1 ZINC000285156350 135371620 /nfs/dbraw/zinc/37/16/20/135371620.db2.gz SERPMTDOFZLVKF-VIFPVBQESA-N 1 0 207.281 0.211 20 30 BCEDRO CCCNC(=[NH2+])NCc1cnn(CC)c1 ZINC000285218893 135371826 /nfs/dbraw/zinc/37/18/26/135371826.db2.gz XFTAFKWCUDOZDF-UHFFFAOYSA-N 1 0 209.297 0.717 20 30 BCEDRO C=C[C@H](CO)NC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000290433668 135374282 /nfs/dbraw/zinc/37/42/82/135374282.db2.gz AOOGEVLXLALZRO-NXEZZACHSA-N 1 0 228.336 0.816 20 30 BCEDRO CC#CCN1CC[C@H]([NH+]2CCN(C)CC2)[C@H](C)C1 ZINC000334367673 135374655 /nfs/dbraw/zinc/37/46/55/135374655.db2.gz RJLZCODQLNMFPT-CABCVRRESA-N 1 0 249.402 0.968 20 30 BCEDRO CCc1nc(C)c(CNC2=[NH+]C[C@@H](C)N2)o1 ZINC000291916866 135375328 /nfs/dbraw/zinc/37/53/28/135375328.db2.gz MUCHKAONJIVWRG-SSDOTTSWSA-N 1 0 222.292 0.983 20 30 BCEDRO C=CCNC(=O)C[NH2+]C(C)(C)COCC ZINC000293263223 135376495 /nfs/dbraw/zinc/37/64/95/135376495.db2.gz MWECEPKAZPTGPR-UHFFFAOYSA-N 1 0 214.309 0.693 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CCC[C@H](O)CC1 ZINC000293177035 135376822 /nfs/dbraw/zinc/37/68/22/135376822.db2.gz PNKXNHDCMKIUCN-QWRGUYRKSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000294537636 135378439 /nfs/dbraw/zinc/37/84/39/135378439.db2.gz KBWBCVADHRZMGL-VIFPVBQESA-N 1 0 220.276 0.200 20 30 BCEDRO N#CCc1ccc(C[NH+]2C[C@@H](O)[C@H](O)C2)cc1 ZINC000331279158 135394483 /nfs/dbraw/zinc/39/44/83/135394483.db2.gz ATXWFLTXSTWONC-CHWSQXEVSA-N 1 0 232.283 0.290 20 30 BCEDRO COCCOCC[NH+]1CCC(C#N)CC1 ZINC000079840794 135397269 /nfs/dbraw/zinc/39/72/69/135397269.db2.gz LWSCKARNZVBBBQ-UHFFFAOYSA-N 1 0 212.293 0.885 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCc3ncnn3C2)C1 ZINC000328710603 135464621 /nfs/dbraw/zinc/46/46/21/135464621.db2.gz BTPJQZNDNPHSNJ-MXWKQRLJSA-N 1 0 231.303 0.875 20 30 BCEDRO CC#CCCCC(=O)NC[C@@]1(O)CC[N@H+](C)C1 ZINC000344390018 135770907 /nfs/dbraw/zinc/77/09/07/135770907.db2.gz QZBUDFFOFVSOKK-ZDUSSCGKSA-N 1 0 238.331 0.363 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NC(=O)c1c[nH]c(C#N)c1 ZINC000346660414 135945604 /nfs/dbraw/zinc/94/56/04/135945604.db2.gz BDJKXAJQLNMOCO-VIFPVBQESA-N 1 0 234.303 0.956 20 30 BCEDRO C[NH+](C)[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C1CC1 ZINC000346677207 135946760 /nfs/dbraw/zinc/94/67/60/135946760.db2.gz PZUNZMXHLCSOTD-LBPRGKRZSA-N 1 0 246.314 0.956 20 30 BCEDRO C=CCN(C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000335301654 136020511 /nfs/dbraw/zinc/02/05/11/136020511.db2.gz XGEDYTPHIYXGPS-MRVPVSSYSA-N 1 0 233.262 0.811 20 30 BCEDRO C=CCOCCC[N@H+]1CCSC[C@@H]1CO ZINC000348039189 136028844 /nfs/dbraw/zinc/02/88/44/136028844.db2.gz SVLCYABYHNXVOO-NSHDSACASA-N 1 0 231.361 0.989 20 30 BCEDRO C=CCOCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000348042173 136028910 /nfs/dbraw/zinc/02/89/10/136028910.db2.gz ZJPVTYRFFCJDLF-OLZOCXBDSA-N 1 0 240.347 0.594 20 30 BCEDRO C=CCOCCC[NH+]1CCC(NC(N)=O)CC1 ZINC000348042152 136029012 /nfs/dbraw/zinc/02/90/12/136029012.db2.gz ZCYPJZQUWNRZAI-UHFFFAOYSA-N 1 0 241.335 0.712 20 30 BCEDRO C=CCOCCC[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000348049602 136030563 /nfs/dbraw/zinc/03/05/63/136030563.db2.gz PDBXYPGODJGYNX-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCOCCC[NH+]1C[C@@H](OC)[C@H](OC)C1 ZINC000348170792 136042631 /nfs/dbraw/zinc/04/26/31/136042631.db2.gz SLRWXVGYWIMOBL-VXGBXAGGSA-N 1 0 229.320 0.925 20 30 BCEDRO C=CCOCCC[N@@H+]1CCCNC(=O)[C@@H]1C ZINC000348183272 136043606 /nfs/dbraw/zinc/04/36/06/136043606.db2.gz UNUBHBWYXIJZKZ-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO N#CC1(C[NH2+][C@H](CO)C2CCOCC2)CC1 ZINC000309556478 397862924 /nfs/dbraw/zinc/86/29/24/397862924.db2.gz HUPGFXYZSMTWFM-LLVKDONJSA-N 1 0 224.304 0.667 20 30 BCEDRO C[N@H+](CC(=O)NCC#N)C1CCCCC1 ZINC000408022934 397817399 /nfs/dbraw/zinc/81/73/99/397817399.db2.gz ZYCGKRDYDYLYDS-UHFFFAOYSA-N 1 0 209.293 0.891 20 30 BCEDRO C=C(C)C[N@@H+](C)CC1(O)CCS(=O)(=O)CC1 ZINC000408136646 397932132 /nfs/dbraw/zinc/93/21/32/397932132.db2.gz ADEGCKIDQRDTKT-UHFFFAOYSA-N 1 0 247.360 0.434 20 30 BCEDRO CCOC[C@@H](O)C[NH2+]CCCCC#N ZINC000308643313 397963839 /nfs/dbraw/zinc/96/38/39/397963839.db2.gz FGNRSXXJHQQBKS-JTQLQIEISA-N 1 0 200.282 0.667 20 30 BCEDRO C[NH+](C)[C@H](CNC(=O)c1cc(C#N)c[nH]1)C1CC1 ZINC000359083479 397922618 /nfs/dbraw/zinc/92/26/18/397922618.db2.gz PNYBZETWHJAVHC-GFCCVEGCSA-N 1 0 246.314 0.956 20 30 BCEDRO C[NH2+]CCOCCNC(=O)N(C)C[C@H](C)C#N ZINC000599936946 398045466 /nfs/dbraw/zinc/04/54/66/398045466.db2.gz QPWGWPSONYNCFD-SNVBAGLBSA-N 1 0 242.323 0.023 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000491513468 398046075 /nfs/dbraw/zinc/04/60/75/398046075.db2.gz CBIHCTVNYSVVGF-VHSXEESVSA-N 1 0 211.309 0.777 20 30 BCEDRO C[C@@H](C(=O)N[C@@H](C#N)CO)[NH+]1CCCCCC1 ZINC000597746049 398017418 /nfs/dbraw/zinc/01/74/18/398017418.db2.gz HOCYYZLWJLASCN-QWRGUYRKSA-N 1 0 239.319 0.252 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@H]1CCC[N@@H+]1C ZINC000490701381 398027798 /nfs/dbraw/zinc/02/77/98/398027798.db2.gz WBKKVFOTTIPBPY-GFCCVEGCSA-N 1 0 218.300 0.566 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000646336200 398030602 /nfs/dbraw/zinc/03/06/02/398030602.db2.gz KWWKWKXNAYYGGW-GHMZBOCLSA-N 1 0 224.304 0.399 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1CC[C@@](C)(O)C1 ZINC000598594426 398031862 /nfs/dbraw/zinc/03/18/62/398031862.db2.gz HFDDDCNATMYFBL-ZYHUDNBSSA-N 1 0 226.320 0.744 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[N@@H+]1C[C@H]2[C@H](CO)[C@H]2C1 ZINC000598616683 398033114 /nfs/dbraw/zinc/03/31/14/398033114.db2.gz DRIIGKWMHQSISC-WYUUTHIRSA-N 1 0 238.331 0.457 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC(=O)N[C@@H](C)CC ZINC000451597920 397978119 /nfs/dbraw/zinc/97/81/19/397978119.db2.gz IYHRCVLQNNFDBM-AXFHLTTASA-N 1 0 226.320 0.834 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCCCO1 ZINC000491787311 398068811 /nfs/dbraw/zinc/06/88/11/398068811.db2.gz VWGLMAXLFVAZCW-NSHDSACASA-N 1 0 224.304 0.285 20 30 BCEDRO C#C[C@@H]1COCCN1CCC[NH+]1CCCC1 ZINC000491789734 398069663 /nfs/dbraw/zinc/06/96/63/398069663.db2.gz VMTNGHQTVXJMSL-CYBMUJFWSA-N 1 0 222.332 0.806 20 30 BCEDRO C#CCNC(=O)CCN(C)CC[NH+]1CCCC1 ZINC000491790255 398070443 /nfs/dbraw/zinc/07/04/43/398070443.db2.gz YALHDIQVNKBFPT-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO CCCN(CC#N)C(=O)/C=C\C[NH+](C)C ZINC000491851499 398075223 /nfs/dbraw/zinc/07/52/23/398075223.db2.gz RKYMXTGVWLPLCN-WAYWQWQTSA-N 1 0 209.293 0.866 20 30 BCEDRO N#CC1(C(=O)NC[C@H]([NH3+])C2CC2)CCC1 ZINC000602481209 398075520 /nfs/dbraw/zinc/07/55/20/398075520.db2.gz BBFARIGQVOYQJI-VIFPVBQESA-N 1 0 207.277 0.534 20 30 BCEDRO C=C[C@H](O)C(=O)NCC1([NH+](C)C)CCCC1 ZINC000646671707 398082399 /nfs/dbraw/zinc/08/23/99/398082399.db2.gz SXNBSFWMETYWLS-JTQLQIEISA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1(CC)CC1 ZINC000491633349 398050743 /nfs/dbraw/zinc/05/07/43/398050743.db2.gz IRNQGFBMKWQEPW-UHFFFAOYSA-N 1 0 208.305 0.906 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)[C@@H](CC)[NH+](C)C ZINC000491667580 398057280 /nfs/dbraw/zinc/05/72/80/398057280.db2.gz LLAPNRCLLLHISV-GHMZBOCLSA-N 1 0 224.304 0.187 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC[C@@H](C)OC)CC1 ZINC000189115804 398097579 /nfs/dbraw/zinc/09/75/79/398097579.db2.gz YGXNGQVTDTZFIZ-LLVKDONJSA-N 1 0 238.331 0.483 20 30 BCEDRO CC[C@H]1[C@H](CO)CC[N@@H+]1CC#CCOC ZINC000649809864 398116124 /nfs/dbraw/zinc/11/61/24/398116124.db2.gz LXGVTJHEAXZYRG-RYUDHWBXSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CCCCCNC(=O)N[C@@H](C)[C@@H](C)[NH3+] ZINC000841858699 583449268 /nfs/dbraw/zinc/44/92/68/583449268.db2.gz CJIPPRIUEZHZTE-ZJUUUORDSA-N 1 0 211.309 0.825 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)C[C@@H]1CCC[N@H+](C)C1 ZINC000668799180 487557067 /nfs/dbraw/zinc/55/70/67/487557067.db2.gz QJEOFEXTDZHEEX-GHMZBOCLSA-N 1 0 226.320 0.334 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CCN2CCOC[C@@H]2C1 ZINC000680431130 487593227 /nfs/dbraw/zinc/59/32/27/487593227.db2.gz ZPUURSDGGZRXCY-OLZOCXBDSA-N 1 0 222.332 0.805 20 30 BCEDRO C#CCCOc1ccc(C[NH2+]C[C@H](O)CO)cc1 ZINC000276703174 166150265 /nfs/dbraw/zinc/15/02/65/166150265.db2.gz FMOZPXHKTPFCCG-ZDUSSCGKSA-N 1 0 249.310 0.532 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1C ZINC000680464192 487599762 /nfs/dbraw/zinc/59/97/62/487599762.db2.gz XZVWYWGDRQSSOT-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C#CCCC[N@H+]1C[C@@H](c2cnn(C)c2)[C@H](CO)C1 ZINC000277879340 166130149 /nfs/dbraw/zinc/13/01/49/166130149.db2.gz VHTONJRRLGRSMQ-KBPBESRZSA-N 1 0 247.342 0.841 20 30 BCEDRO C=CCCNC(=O)NCC[N@H+](CC)CCO ZINC000665941960 487609289 /nfs/dbraw/zinc/60/92/89/487609289.db2.gz AHGJYFDWJGEMRZ-UHFFFAOYSA-N 1 0 229.324 0.176 20 30 BCEDRO C#CCCC[NH2+][C@@H](CO)c1cnn(C)c1 ZINC000275175445 166133321 /nfs/dbraw/zinc/13/33/21/166133321.db2.gz LWNXJDHFSGCGHP-NSHDSACASA-N 1 0 207.277 0.457 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@H](N)CC[NH+](C)C ZINC000653092928 409692739 /nfs/dbraw/zinc/69/27/39/409692739.db2.gz PWSRKZFBWPEDMB-NXEZZACHSA-N 1 0 213.325 0.346 20 30 BCEDRO C=CCOCCCNC(=O)C[C@H](C[NH3+])OC ZINC000662664628 409821552 /nfs/dbraw/zinc/82/15/52/409821552.db2.gz UMAQITSJIBAVQU-SNVBAGLBSA-N 1 0 230.308 0.059 20 30 BCEDRO C=CCOCCNC(=O)c1coc(C[NH3+])c1 ZINC000662712747 409863065 /nfs/dbraw/zinc/86/30/65/409863065.db2.gz TUUJSNMDIZZUTL-UHFFFAOYSA-N 1 0 224.260 0.671 20 30 BCEDRO C=CC[C@@]1(C(=O)NCCc2ncc[nH]2)CCC[NH2+]1 ZINC000662730231 409875422 /nfs/dbraw/zinc/87/54/22/409875422.db2.gz ADCRFANJBIZZHV-ZDUSSCGKSA-N 1 0 248.330 0.767 20 30 BCEDRO C=C1CCN(C(=O)[C@H]2[C@@H]3C[NH2+]C[C@@H]32)CC1 ZINC000653174232 410147752 /nfs/dbraw/zinc/14/77/52/410147752.db2.gz SXSWRYQRGDRNGZ-URLYPYJESA-N 1 0 206.289 0.630 20 30 BCEDRO C#CCN(CC)CC(=O)NC(=O)NC(C)(C)C ZINC000266944771 166166499 /nfs/dbraw/zinc/16/64/99/166166499.db2.gz SHOIAOFFOCHEPH-UHFFFAOYSA-N 1 0 239.319 0.566 20 30 BCEDRO C#CCNC(=O)C[C@H]([NH3+])c1ccccc1 ZINC000019518865 166172939 /nfs/dbraw/zinc/17/29/39/166172939.db2.gz XTNBHWLOYOEFSZ-NSHDSACASA-N 1 0 202.257 0.826 20 30 BCEDRO C#CC[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000273349482 166191433 /nfs/dbraw/zinc/19/14/33/166191433.db2.gz ARAZEMWOARKTII-NSHDSACASA-N 1 0 202.257 0.306 20 30 BCEDRO C#CCSCC[NH2+]CN1CCC(=O)CC1 ZINC000273076059 166203037 /nfs/dbraw/zinc/20/30/37/166203037.db2.gz LNEWMLSHGKQFQM-UHFFFAOYSA-N 1 0 226.345 0.565 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H](C)C1=CC[N@H+](C)CC1 ZINC000274787752 166209189 /nfs/dbraw/zinc/20/91/89/166209189.db2.gz KTPPDXALUHXKTM-MNOVXSKESA-N 1 0 235.331 0.958 20 30 BCEDRO C=CCCCN(C)C(=O)[C@H]1C[C@H](O)C[NH2+]1 ZINC000158402910 166233218 /nfs/dbraw/zinc/23/32/18/166233218.db2.gz GMIGNPPIILYNBU-VHSXEESVSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@@H](O)[C@@H]1C(=O)OC ZINC000189595054 166234207 /nfs/dbraw/zinc/23/42/07/166234207.db2.gz LZZPTKCEBHNAPR-GHMZBOCLSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CCCC[N@@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000272840255 166234765 /nfs/dbraw/zinc/23/47/65/166234765.db2.gz INUZRJJXTUQKOM-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCC[N@H+](C)CCCN1C(=O)CNC1=O ZINC000276375895 166257093 /nfs/dbraw/zinc/25/70/93/166257093.db2.gz HMCSEMMIOLMWFL-UHFFFAOYSA-N 1 0 225.292 0.436 20 30 BCEDRO C=CCC[NH+]1CCC(O)(C(=O)OC)CC1 ZINC000271406295 166260994 /nfs/dbraw/zinc/26/09/94/166260994.db2.gz NHSLPOIZQKZOEN-UHFFFAOYSA-N 1 0 213.277 0.562 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N[C@@H](C)C[NH3+] ZINC000261536033 166272582 /nfs/dbraw/zinc/27/25/82/166272582.db2.gz QEAIJFDUEZZMEV-IUCAKERBSA-N 1 0 200.282 0.431 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(C)[C@H](C)C[NH3+] ZINC000179204467 166273746 /nfs/dbraw/zinc/27/37/46/166273746.db2.gz VDRVXRNFXDWZEI-ZJUUUORDSA-N 1 0 214.309 0.773 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@@H](C)[NH2+]C ZINC000261540799 166274359 /nfs/dbraw/zinc/27/43/59/166274359.db2.gz FGDSOOABHPJDEO-NXEZZACHSA-N 1 0 214.309 0.692 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000158566989 166275498 /nfs/dbraw/zinc/27/54/98/166275498.db2.gz HKHNIAKQMNADSK-GHMZBOCLSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@@H](NC(N)=O)C1 ZINC000270657511 166297001 /nfs/dbraw/zinc/29/70/01/166297001.db2.gz JSIOVOASFZZEPA-NXEZZACHSA-N 1 0 227.308 0.056 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CCC(C(N)=O)CC1 ZINC000268667471 166304342 /nfs/dbraw/zinc/30/43/42/166304342.db2.gz SQCFQPZMSPQALH-NSHDSACASA-N 1 0 226.320 0.511 20 30 BCEDRO C=CCC[C@H](O)C[NH+]1CC(O)(C2CC2)C1 ZINC000375468073 166304590 /nfs/dbraw/zinc/30/45/90/166304590.db2.gz KEIDSEPJXVNSHG-NSHDSACASA-N 1 0 211.305 0.770 20 30 BCEDRO C=CCN(CC=C)C(=O)C[N@H+](C)CCCO ZINC000281865348 166327784 /nfs/dbraw/zinc/32/77/84/166327784.db2.gz OMHWFXCOCCOEIO-UHFFFAOYSA-N 1 0 226.320 0.501 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CCC([NH3+])CC1 ZINC000036754688 166327938 /nfs/dbraw/zinc/32/79/38/166327938.db2.gz XIDDAGLHUWBXMO-UHFFFAOYSA-N 1 0 237.347 0.610 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](C)[C@@H](C)CO ZINC000273971943 166328722 /nfs/dbraw/zinc/32/87/22/166328722.db2.gz HRGSHEJUSVCLNS-RYUDHWBXSA-N 1 0 240.347 0.794 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H]([NH2+]C)c1cnn(C)c1 ZINC000262292693 166331967 /nfs/dbraw/zinc/33/19/67/166331967.db2.gz YRRXMEBIIANCOI-GFCCVEGCSA-N 1 0 248.330 0.881 20 30 BCEDRO C=CC[N@H+](CCN1C(=O)CCC1=O)C1CC1 ZINC000271448009 166341495 /nfs/dbraw/zinc/34/14/95/166341495.db2.gz NOUOXMTZSLOHHD-UHFFFAOYSA-N 1 0 222.288 0.786 20 30 BCEDRO C=CC[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000041599308 166352010 /nfs/dbraw/zinc/35/20/10/166352010.db2.gz PEINGUICAJYFKM-UHFFFAOYSA-N 1 0 209.249 0.687 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](CC)C[NH+]1CCCC1 ZINC000668830101 487616996 /nfs/dbraw/zinc/61/69/96/487616996.db2.gz VFQVSSKHBMSUBR-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)c2ccnnc2)CC1 ZINC000178985644 166353253 /nfs/dbraw/zinc/35/32/53/166353253.db2.gz OXEACFFUXCVUJP-UHFFFAOYSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)CCn1cccn1 ZINC000159361762 166369632 /nfs/dbraw/zinc/36/96/32/166369632.db2.gz YIMQDXFSHBFXER-NSHDSACASA-N 1 0 236.319 0.554 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCOC[C@@H]1OCC ZINC000362023823 166369875 /nfs/dbraw/zinc/36/98/75/166369875.db2.gz ITLJYZXGLLKMNY-MNOVXSKESA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCC[C@H]([NH3+])C1 ZINC000041029961 166381603 /nfs/dbraw/zinc/38/16/03/166381603.db2.gz PQGFPCQCZKRFBD-ZJUUUORDSA-N 1 0 211.309 0.100 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@H](COC)C1 ZINC000265749809 166382742 /nfs/dbraw/zinc/38/27/42/166382742.db2.gz FEPMFZYQFXUVOF-GHMZBOCLSA-N 1 0 226.320 0.645 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](C)[C@H](C)OC ZINC000191710420 166382821 /nfs/dbraw/zinc/38/28/21/166382821.db2.gz AAFYNHWVEDQCJZ-AEJSXWLSSA-N 1 0 214.309 0.690 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@@](C)(O)C1 ZINC000178005468 166383143 /nfs/dbraw/zinc/38/31/43/166383143.db2.gz LTCGOZUYPJTOFD-MWLCHTKSSA-N 1 0 212.293 0.134 20 30 BCEDRO C=CCNC(=O)c1cc([C@H]2CC[NH2+]C2)n[nH]1 ZINC000278289920 166392290 /nfs/dbraw/zinc/39/22/90/166392290.db2.gz AAIHKFVQWLSROK-QMMMGPOBSA-N 1 0 220.276 0.402 20 30 BCEDRO CCC[NH2+][C@H](C)C(=O)Nc1n[nH]cc1C#N ZINC000582784241 410623468 /nfs/dbraw/zinc/62/34/68/410623468.db2.gz BOXVUKKMYRBZKF-SSDOTTSWSA-N 1 0 221.264 0.608 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)C1CC[NH+](C)CC1 ZINC000665073631 410686186 /nfs/dbraw/zinc/68/61/86/410686186.db2.gz WUEQHLQXSZBODW-JTQLQIEISA-N 1 0 212.293 0.086 20 30 BCEDRO C=CCNC(=O)CNC(=O)[C@@H](C(C)C)[C@@H](C)[NH3+] ZINC000399630679 411051115 /nfs/dbraw/zinc/05/11/15/411051115.db2.gz GBLSNYKIUMIPFJ-KOLCDFICSA-N 1 0 241.335 0.024 20 30 BCEDRO C=CCOCCn1cc(C[NH2+]C2CC2)nn1 ZINC000052598972 411163043 /nfs/dbraw/zinc/16/30/43/411163043.db2.gz GGJQSZCFWSVHGL-UHFFFAOYSA-N 1 0 222.292 0.733 20 30 BCEDRO Cc1nccn1CCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152514 411132445 /nfs/dbraw/zinc/13/24/45/411132445.db2.gz YLWXJOCGDPGKJJ-ZDUSSCGKSA-N 1 0 248.330 0.932 20 30 BCEDRO CN(CC[NH+]1CCCCC1)CC(=O)NCC#N ZINC000593111755 411138250 /nfs/dbraw/zinc/13/82/50/411138250.db2.gz IRSZFJZPJMZQTD-UHFFFAOYSA-N 1 0 238.335 0.044 20 30 BCEDRO CNC(=O)CC[NH2+]Cc1cccc(C#N)c1 ZINC000044987944 411143005 /nfs/dbraw/zinc/14/30/05/411143005.db2.gz RXZZRCRXLJFLFE-UHFFFAOYSA-N 1 0 217.272 0.784 20 30 BCEDRO C=CC[C@H]1CC[C@@H]([NH2+]CCS(=O)(=O)NC)C1 ZINC000651781547 411143387 /nfs/dbraw/zinc/14/33/87/411143387.db2.gz NCMJMUXZPLNFPE-WDEREUQCSA-N 1 0 246.376 0.870 20 30 BCEDRO C=CCCn1cc(CN2CC[NH2+]C[C@@H]2C)nn1 ZINC000655936917 411158897 /nfs/dbraw/zinc/15/88/97/411158897.db2.gz PTYCTGBMRKZDGN-NSHDSACASA-N 1 0 235.335 0.648 20 30 BCEDRO C=CCCn1cc(CN2C[C@@H](C)[C@H]([NH3+])C2)nn1 ZINC000655940429 411160536 /nfs/dbraw/zinc/16/05/36/411160536.db2.gz AXTZKOJDXHQAMY-ZYHUDNBSSA-N 1 0 235.335 0.633 20 30 BCEDRO C=CCN(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652237526 411177452 /nfs/dbraw/zinc/17/74/52/411177452.db2.gz RRTFDHRZCFOIFL-UHFFFAOYSA-N 1 0 211.309 0.943 20 30 BCEDRO Cc1[nH]nc(NC(=O)C2(C[NH+](C)C)CC2)c1C#N ZINC000602189255 411185155 /nfs/dbraw/zinc/18/51/55/411185155.db2.gz OBNFSEMDJRGKPD-UHFFFAOYSA-N 1 0 247.302 0.870 20 30 BCEDRO C=CCOCCCNC(=O)N1CCC[C@@H]1C[NH3+] ZINC000659596626 411200162 /nfs/dbraw/zinc/20/01/62/411200162.db2.gz KAYPKANNZMLVCI-LLVKDONJSA-N 1 0 241.335 0.712 20 30 BCEDRO C=C(C)CCNC(=O)NCC1([NH3+])CCOCC1 ZINC000627050507 411205102 /nfs/dbraw/zinc/20/51/02/411205102.db2.gz LCYSRRWBQSKJDN-UHFFFAOYSA-N 1 0 241.335 0.760 20 30 BCEDRO C=CCCn1cc(CC[C@H](O)C[NH3+])nn1 ZINC000656452220 411273684 /nfs/dbraw/zinc/27/36/84/411273684.db2.gz CONXWMLJMZSBJC-JTQLQIEISA-N 1 0 210.281 0.106 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@H]2CC[C@@H](C1)S2 ZINC000599552872 411278379 /nfs/dbraw/zinc/27/83/79/411278379.db2.gz KBJMWFRGRNKOLC-ZJUUUORDSA-N 1 0 239.344 0.596 20 30 BCEDRO CC#CCNCc1cn([C@@H]2CCC[NH2+]C2)nn1 ZINC000656467786 411279943 /nfs/dbraw/zinc/27/99/43/411279943.db2.gz SCKICJGZPNBUOA-GFCCVEGCSA-N 1 0 233.319 0.316 20 30 BCEDRO CC[NH+]=C(NCCc1nc(C)no1)NC(C)C ZINC000072624039 167862231 /nfs/dbraw/zinc/86/22/31/167862231.db2.gz WBYGRQOWWPJPJH-UHFFFAOYSA-N 1 0 239.323 0.884 20 30 BCEDRO C=CCOCC[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000304276121 411288484 /nfs/dbraw/zinc/28/84/84/411288484.db2.gz WKZJZAVQWVKJFY-VXGBXAGGSA-N 1 0 228.336 0.546 20 30 BCEDRO C=CCOCCC[NH2+][C@H](C)Cn1cncn1 ZINC000658204872 411291931 /nfs/dbraw/zinc/29/19/31/411291931.db2.gz CRIRJNXEALVRMG-LLVKDONJSA-N 1 0 224.308 0.849 20 30 BCEDRO C=CCNC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000656540778 411293523 /nfs/dbraw/zinc/29/35/23/411293523.db2.gz RIKPHWYJHPQWHE-JTQLQIEISA-N 1 0 211.309 0.908 20 30 BCEDRO C=CCOCCC[NH2+][C@H](C)CC(N)=O ZINC000658209582 411294655 /nfs/dbraw/zinc/29/46/55/411294655.db2.gz HMRKBPIWDUERFE-SECBINFHSA-N 1 0 200.282 0.433 20 30 BCEDRO CNC(NCc1ccc(OC)c(OC)c1)=[NH+]C ZINC000057887268 411314120 /nfs/dbraw/zinc/31/41/20/411314120.db2.gz BISWXQXBVANMEF-UHFFFAOYSA-N 1 0 237.303 0.999 20 30 BCEDRO C=CCOCC[NH2+]C1(COC)CCOCC1 ZINC000660636781 411364349 /nfs/dbraw/zinc/36/43/49/411364349.db2.gz VFFJEMFXVKIQSK-UHFFFAOYSA-N 1 0 229.320 0.974 20 30 BCEDRO C=CCCNC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000659025622 411368724 /nfs/dbraw/zinc/36/87/24/411368724.db2.gz UFRKTSFGDKEATQ-LURJTMIESA-N 1 0 225.214 0.751 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCc1ccccc1 ZINC000662165644 411370569 /nfs/dbraw/zinc/37/05/69/411370569.db2.gz MHFKZFXXAHLORB-GFCCVEGCSA-N 1 0 234.299 0.439 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)N[C@@H](C)CCC ZINC000662165795 411371057 /nfs/dbraw/zinc/37/10/57/411371057.db2.gz OZFIGPOHPDUDOM-HBNTYKKESA-N 1 0 228.336 0.816 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCn1ccnc1C ZINC000662168685 411372445 /nfs/dbraw/zinc/37/24/45/411372445.db2.gz QOZRHWXQZMYKIE-LLVKDONJSA-N 1 0 209.293 0.718 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCCn2nccc21 ZINC000658334607 411343249 /nfs/dbraw/zinc/34/32/49/411343249.db2.gz OGBZQOGDDLPOAA-ZJUUUORDSA-N 1 0 207.277 0.855 20 30 BCEDRO CC1CC([NH2+]CCn2cnc(C#N)n2)C1 ZINC000309147046 168145076 /nfs/dbraw/zinc/14/50/76/168145076.db2.gz VLDRXRFQTXENRH-UHFFFAOYSA-N 1 0 205.265 0.538 20 30 BCEDRO C=CCCC[N@@H+](C)CCN1C(=O)CN(C)C1=O ZINC000659943019 411388608 /nfs/dbraw/zinc/38/86/08/411388608.db2.gz ZUPNULKUBKHCTN-UHFFFAOYSA-N 1 0 239.319 0.778 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NCCC[NH+](C)C ZINC000654852551 411456337 /nfs/dbraw/zinc/45/63/37/411456337.db2.gz VZVSPUYYRWLRJZ-MNOVXSKESA-N 1 0 241.335 0.581 20 30 BCEDRO C=CCCNC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000659337688 411397500 /nfs/dbraw/zinc/39/75/00/411397500.db2.gz KJSKORGTYLICAN-QMMMGPOBSA-N 1 0 218.247 0.924 20 30 BCEDRO C=CCCNC(=O)c1cn([C@H]2CCC[NH2+]C2)nn1 ZINC000659338968 411398999 /nfs/dbraw/zinc/39/89/99/411398999.db2.gz WITCXUMSDJNLOI-JTQLQIEISA-N 1 0 249.318 0.509 20 30 BCEDRO C=CCN(C(=O)[C@H]1CC[NH2+]1)[C@H](C)COC ZINC000659339296 411399018 /nfs/dbraw/zinc/39/90/18/411399018.db2.gz FUSKYDZMEZTVNY-NXEZZACHSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1CC[NH2+][C@H]1CC ZINC000659383228 411401250 /nfs/dbraw/zinc/40/12/50/411401250.db2.gz SCENVMIERMLKQQ-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCOCCNC(=O)C[NH2+]C[C@H]1CCCO1 ZINC000659384865 411408438 /nfs/dbraw/zinc/40/84/38/411408438.db2.gz ZRQWKLLHHATDKV-LLVKDONJSA-N 1 0 242.319 0.074 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]1C[C@]12CCC[NH2+]C2 ZINC000659384395 411408924 /nfs/dbraw/zinc/40/89/24/411408924.db2.gz XPTDXQBNPXLVON-AAEUAGOBSA-N 1 0 238.331 0.695 20 30 BCEDRO C=C(C)COCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659469782 411418073 /nfs/dbraw/zinc/41/80/73/411418073.db2.gz SLXUBPNNGOMMKY-UHFFFAOYSA-N 1 0 243.351 0.958 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@H](C)C[NH2+]C ZINC000659468761 411418276 /nfs/dbraw/zinc/41/82/76/411418276.db2.gz AUCREWQMZYICTA-SNVBAGLBSA-N 1 0 229.324 0.486 20 30 BCEDRO C=CCOCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000659480730 411419151 /nfs/dbraw/zinc/41/91/51/411419151.db2.gz RVVAOWWCZSKFBG-UHFFFAOYSA-N 1 0 239.319 0.322 20 30 BCEDRO C=CCOCCNC(=O)N(C)CC(C)(C)[NH3+] ZINC000659480246 411419179 /nfs/dbraw/zinc/41/91/79/411419179.db2.gz PDXMPPSAQWJWTE-UHFFFAOYSA-N 1 0 229.324 0.568 20 30 BCEDRO C=CCOCCNC(=O)N[C@H](C)C[NH2+]C ZINC000659480665 411419412 /nfs/dbraw/zinc/41/94/12/411419412.db2.gz RGHDGBBXJLQNNQ-SECBINFHSA-N 1 0 215.297 0.096 20 30 BCEDRO CC#CCCNC(=O)NCC1([NH3+])CCCC1 ZINC000659482543 411419804 /nfs/dbraw/zinc/41/98/04/411419804.db2.gz MYHZLCWBPJHJSX-UHFFFAOYSA-N 1 0 223.320 0.971 20 30 BCEDRO CC#CCCN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000405211571 411420713 /nfs/dbraw/zinc/42/07/13/411420713.db2.gz CYEICNRNCGJILH-NWDGAFQWSA-N 1 0 208.305 0.151 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000659514881 411425858 /nfs/dbraw/zinc/42/58/58/411425858.db2.gz FZXOJMHRAZPGRT-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000659527516 411428882 /nfs/dbraw/zinc/42/88/82/411428882.db2.gz NKDNZMXIPLGSKM-NSHDSACASA-N 1 0 241.335 0.616 20 30 BCEDRO C=CCOCCCNC(=O)NC[C@H](C)[NH3+] ZINC000659541100 411431720 /nfs/dbraw/zinc/43/17/20/411431720.db2.gz ZYDZUDNJIZLVQW-VIFPVBQESA-N 1 0 215.297 0.226 20 30 BCEDRO CN(C)S(=O)(=O)CC[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000336726641 411434219 /nfs/dbraw/zinc/43/42/19/411434219.db2.gz CILOXJBQOCGEHL-UWVGGRQHSA-N 1 0 245.348 0.160 20 30 BCEDRO C=CCCNC(=O)N[C@@H]1CC[C@H](C[NH3+])C1 ZINC000659554025 411435447 /nfs/dbraw/zinc/43/54/47/411435447.db2.gz KPDLPUQMKJFAGX-VHSXEESVSA-N 1 0 211.309 0.989 20 30 BCEDRO C=CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000659562079 411436185 /nfs/dbraw/zinc/43/61/85/411436185.db2.gz FSLFIZOBTZULEU-ZJUUUORDSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCCNC(=O)N(C)C1CC[NH2+]CC1 ZINC000659562965 411436502 /nfs/dbraw/zinc/43/65/02/411436502.db2.gz NXAIGGVLPIRMPP-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCOCCCNC(=O)N1CC[C@H]([NH3+])[C@@H]1C ZINC000659598233 411440344 /nfs/dbraw/zinc/44/03/44/411440344.db2.gz XVQLLASDHOSCJH-QWRGUYRKSA-N 1 0 241.335 0.710 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000659610566 411441283 /nfs/dbraw/zinc/44/12/83/411441283.db2.gz NNHSHDVGGCOZMD-MNOVXSKESA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000659610067 411441545 /nfs/dbraw/zinc/44/15/45/411441545.db2.gz JZKYKEVXTHJMJC-GHMZBOCLSA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCOCCNC(=O)N1CC[C@@H]([NH3+])[C@H](C)C1 ZINC000659612333 411441568 /nfs/dbraw/zinc/44/15/68/411441568.db2.gz XEVAGPBTMNSNPC-GHMZBOCLSA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCN(C)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000659616148 411442466 /nfs/dbraw/zinc/44/24/66/411442466.db2.gz SCPKDAZRYWKITR-UHFFFAOYSA-N 1 0 209.293 0.566 20 30 BCEDRO C=CCN(C(=O)NCC(C)(C)[NH3+])[C@H](C)COC ZINC000659520393 411474578 /nfs/dbraw/zinc/47/45/78/411474578.db2.gz IPDNXWBTSRHNDG-SNVBAGLBSA-N 1 0 243.351 0.956 20 30 BCEDRO C=C[C@@H](C)NC(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000309481983 411498756 /nfs/dbraw/zinc/49/87/56/411498756.db2.gz DYUZDMKPHNNCEW-HTQZYQBOSA-N 1 0 218.247 0.922 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cnn2c1CCC2 ZINC000657434218 411505906 /nfs/dbraw/zinc/50/59/06/411505906.db2.gz AQSLAWFZKRCVBN-NSHDSACASA-N 1 0 221.304 0.856 20 30 BCEDRO C=CCCn1cc(C[NH2+][C@H](CO)CC=C)nn1 ZINC000657437405 411510703 /nfs/dbraw/zinc/51/07/03/411510703.db2.gz ZCVHFIXGJFNYSA-NSHDSACASA-N 1 0 236.319 0.881 20 30 BCEDRO C=CCOCCCNC(=O)NCCC[NH3+] ZINC000659509668 411464709 /nfs/dbraw/zinc/46/47/09/411464709.db2.gz GPFAGXBPXHZWGX-UHFFFAOYSA-N 1 0 215.297 0.227 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@@H](C)CO)nn1 ZINC000657327652 411466575 /nfs/dbraw/zinc/46/65/75/411466575.db2.gz LWLMAEGOJSSPGD-SNVBAGLBSA-N 1 0 224.308 0.572 20 30 BCEDRO CC[N@@H+]1CC[C@H](CNC(=O)c2c[nH]c(C#N)c2)C1 ZINC000181225997 170015434 /nfs/dbraw/zinc/01/54/34/170015434.db2.gz PLRZCPVTFPAQEM-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO CCNC(=O)[C@H](C)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232314092 170094712 /nfs/dbraw/zinc/09/47/12/170094712.db2.gz MPEDNSCKWLKSQP-VIFPVBQESA-N 1 0 234.303 0.511 20 30 BCEDRO CCOC1CC([NH2+]CCn2cnc(C#N)n2)C1 ZINC000287357855 170329375 /nfs/dbraw/zinc/32/93/75/170329375.db2.gz HDMYLZKAJOSSDR-UHFFFAOYSA-N 1 0 235.291 0.307 20 30 BCEDRO Cc1cc(NC(=O)[C@H]([NH3+])CCCC#N)no1 ZINC000579342734 411630491 /nfs/dbraw/zinc/63/04/91/411630491.db2.gz UPUXMFDIWRESFL-MRVPVSSYSA-N 1 0 222.248 0.943 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H]1CNC(=O)C1 ZINC000660740366 411620472 /nfs/dbraw/zinc/62/04/72/411620472.db2.gz PRCPTNORJLXDKX-MXWKQRLJSA-N 1 0 224.304 0.446 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000661139646 411716142 /nfs/dbraw/zinc/71/61/42/411716142.db2.gz JETAIAUDSPFEGR-GFCCVEGCSA-N 1 0 236.319 0.803 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000661139647 411716798 /nfs/dbraw/zinc/71/67/98/411716798.db2.gz JETAIAUDSPFEGR-LBPRGKRZSA-N 1 0 236.319 0.803 20 30 BCEDRO C=CCN(C[C@@H](O)C[N@@H+](C)CC)[C@H](C)COC ZINC000661239767 411741321 /nfs/dbraw/zinc/74/13/21/411741321.db2.gz JBPVWOLAELJWJV-OLZOCXBDSA-N 1 0 244.379 0.822 20 30 BCEDRO C=C[C@H](CO)NC(=O)NCc1nccn1CC ZINC000661263056 411746129 /nfs/dbraw/zinc/74/61/29/411746129.db2.gz WSKNXYGUJORFBH-SECBINFHSA-N 1 0 238.291 0.249 20 30 BCEDRO C=CC[C@@H]1CCC[N@@H+](CCCS(N)(=O)=O)C1 ZINC000661380584 411762518 /nfs/dbraw/zinc/76/25/18/411762518.db2.gz OJUWZXGQZIKBMQ-LLVKDONJSA-N 1 0 246.376 0.953 20 30 BCEDRO CCc1nc(C#N)cc(NCC2([NH2+]C)CCC2)n1 ZINC000598633067 411783003 /nfs/dbraw/zinc/78/30/03/411783003.db2.gz JMRPEURQMXDLTQ-UHFFFAOYSA-N 1 0 245.330 1.465 20 30 BCEDRO CCC#C[C@H](C)[NH+]1CCC(O)(CO)CC1 ZINC000661619551 411818740 /nfs/dbraw/zinc/81/87/40/411818740.db2.gz ZAZRCPUKFPEKCM-NSHDSACASA-N 1 0 211.305 0.608 20 30 BCEDRO C[C@@H](CNc1ccc(C#N)c(N)n1)[NH+](C)C ZINC000563426833 411820226 /nfs/dbraw/zinc/82/02/26/411820226.db2.gz WJKZWDQSOSGITG-QMMMGPOBSA-N 1 0 219.292 0.897 20 30 BCEDRO COCC#CC[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661629059 411823701 /nfs/dbraw/zinc/82/37/01/411823701.db2.gz VUGWMDMONAUIDE-QWRGUYRKSA-N 1 0 211.305 0.585 20 30 BCEDRO COCC#CC[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661629058 411824598 /nfs/dbraw/zinc/82/45/98/411824598.db2.gz VUGWMDMONAUIDE-GHMZBOCLSA-N 1 0 211.305 0.585 20 30 BCEDRO COCC#CC[N@@H+]1C[C@H]2COC[C@@]2(C)C1 ZINC000661701581 411847411 /nfs/dbraw/zinc/84/74/11/411847411.db2.gz QZEGDZIEORWDQZ-NWDGAFQWSA-N 1 0 209.289 0.605 20 30 BCEDRO CNC(=O)N[C@H]1CC[N@H+](Cc2ccnc(N)c2)C1 ZINC000331111836 411849215 /nfs/dbraw/zinc/84/92/15/411849215.db2.gz BZWLHBAXUCMAQY-JTQLQIEISA-N 1 0 249.318 0.372 20 30 BCEDRO C=CC[C@@H](CO)Nc1nc(N)[nH+]c2c1CCCC2 ZINC000645211453 411853139 /nfs/dbraw/zinc/85/31/39/411853139.db2.gz IOAGWVMMYXSVEF-VIFPVBQESA-N 1 0 248.330 0.708 20 30 BCEDRO CCC#C[C@@H](C)[N@H+]1CCC(=O)N(C)CC1 ZINC000661807106 411888697 /nfs/dbraw/zinc/88/86/97/411888697.db2.gz LWYGACPTPKANEI-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C[C@@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000524773238 411890135 /nfs/dbraw/zinc/89/01/35/411890135.db2.gz QFTZHBOSGYQYDZ-MRVPVSSYSA-N 1 0 237.307 0.109 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000661857253 411905917 /nfs/dbraw/zinc/90/59/17/411905917.db2.gz RNMAKPBAAVAADV-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000662030620 411941198 /nfs/dbraw/zinc/94/11/98/411941198.db2.gz ANNINFJNFZXNND-WOPDTQHZSA-N 1 0 211.305 0.892 20 30 BCEDRO CC(C)[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000577206957 411872971 /nfs/dbraw/zinc/87/29/71/411872971.db2.gz IIUKPAQYSRMKQQ-UHFFFAOYSA-N 1 0 221.308 1.136 20 30 BCEDRO C=CCNC(=O)CNC(C)(C)C[N@@H+](C)CCC ZINC000662173756 412020002 /nfs/dbraw/zinc/02/00/02/412020002.db2.gz ALQNBFKRFCCNQU-UHFFFAOYSA-N 1 0 241.379 0.999 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H](C)[C@](C)(CO)C1 ZINC000662135916 411999661 /nfs/dbraw/zinc/99/96/61/411999661.db2.gz NZJOSRMPJDARKB-MDZLAQPJSA-N 1 0 240.347 0.627 20 30 BCEDRO CC#CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662153752 412008504 /nfs/dbraw/zinc/00/85/04/412008504.db2.gz UOFYEPKGVHGTTQ-CYBMUJFWSA-N 1 0 222.332 0.541 20 30 BCEDRO CC#CCN1CCC([N@@H+]2CC[C@H](O)C2)CC1 ZINC000662153753 412009268 /nfs/dbraw/zinc/00/92/68/412009268.db2.gz UOFYEPKGVHGTTQ-ZDUSSCGKSA-N 1 0 222.332 0.541 20 30 BCEDRO C=CCN1CCC([N@@H+]2CC[C@@H](O)C2)CC1 ZINC000662154986 412009675 /nfs/dbraw/zinc/00/96/75/412009675.db2.gz HXIHFIGYTALLOO-GFCCVEGCSA-N 1 0 210.321 0.703 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NC(C)(C)CC ZINC000662165618 412014343 /nfs/dbraw/zinc/01/43/43/412014343.db2.gz LGXAQWWFYOZVDD-NXEZZACHSA-N 1 0 228.336 0.816 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N[C@@H](C)CC ZINC000662165580 412014524 /nfs/dbraw/zinc/01/45/24/412014524.db2.gz JPZPZGDUZCQILE-LPEHRKFASA-N 1 0 214.309 0.426 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCC(=O)N1CCC[C@H]1C ZINC000662167041 412016783 /nfs/dbraw/zinc/01/67/83/412016783.db2.gz PHHKTHJPOANIFZ-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO CC[C@H](C)[NH+]1CCN(C(=O)CC#N)CC1 ZINC000055079710 171318859 /nfs/dbraw/zinc/31/88/59/171318859.db2.gz ZNWMWVNKQDWBBQ-JTQLQIEISA-N 1 0 209.293 0.843 20 30 BCEDRO C=CCN1CC[C@H](N2CC3CC2(C[NH3+])C3)C1=O ZINC000662307318 412092366 /nfs/dbraw/zinc/09/23/66/412092366.db2.gz ZZVYLNMEJVALNL-AKJDGMEZSA-N 1 0 235.331 0.196 20 30 BCEDRO C=CCNC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662349348 412119990 /nfs/dbraw/zinc/11/99/90/412119990.db2.gz VSRNHMOPGWWWDT-QMMMGPOBSA-N 1 0 220.276 0.402 20 30 BCEDRO C=CC[NH+]1CCC(Nc2cc(C#N)cnn2)CC1 ZINC000596117106 412126848 /nfs/dbraw/zinc/12/68/48/412126848.db2.gz VEHXWLHZERMSFT-UHFFFAOYSA-N 1 0 243.314 1.411 20 30 BCEDRO C=CCNc1ncc(C(=O)NCC[NH2+]C)s1 ZINC000646679641 412133668 /nfs/dbraw/zinc/13/36/68/412133668.db2.gz OIBBAXQQPRVJJG-UHFFFAOYSA-N 1 0 240.332 0.690 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H](c1ccccc1)[NH+](C)C ZINC000665201693 412134398 /nfs/dbraw/zinc/13/43/98/412134398.db2.gz JAIJRLZERBLBGT-STQMWFEESA-N 1 0 248.326 0.952 20 30 BCEDRO C=CCNc1ncc(C(=O)NCCC[NH3+])s1 ZINC000573919340 412134998 /nfs/dbraw/zinc/13/49/98/412134998.db2.gz GYVWXNWGEUQASC-UHFFFAOYSA-N 1 0 240.332 0.820 20 30 BCEDRO C=CC[C@]1(C(=O)N2CCOCC2)CCC[NH2+]1 ZINC000662431799 412168195 /nfs/dbraw/zinc/16/81/95/412168195.db2.gz GOJFABJTFWURRR-GFCCVEGCSA-N 1 0 224.304 0.544 20 30 BCEDRO C=CCNC(=O)c1cn([C@@H]2CCC[NH2+]CC2)nn1 ZINC000662434580 412171294 /nfs/dbraw/zinc/17/12/94/412171294.db2.gz UUYQHUXLFOHTMW-SNVBAGLBSA-N 1 0 249.318 0.509 20 30 BCEDRO C=CCNC(=O)c1cc(C(C)(C)[NH3+])no1 ZINC000662434569 412171589 /nfs/dbraw/zinc/17/15/89/412171589.db2.gz ULQVQRMFLNHJCS-UHFFFAOYSA-N 1 0 209.249 0.784 20 30 BCEDRO N#Cc1cc(NC[C@H]2CCC[C@H]([NH3+])C2)ncn1 ZINC000591441619 412254234 /nfs/dbraw/zinc/25/42/34/412254234.db2.gz JCJHFDZXFIALIE-UWVGGRQHSA-N 1 0 231.303 1.278 20 30 BCEDRO C=CCOCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662678522 412268764 /nfs/dbraw/zinc/26/87/64/412268764.db2.gz GSSICHIBLSTRDD-UHFFFAOYSA-N 1 0 210.277 0.139 20 30 BCEDRO C=CC[C@@]1(C(=O)NC[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662693697 412273147 /nfs/dbraw/zinc/27/31/47/412273147.db2.gz LLGLPYWYTAJIGZ-YPMHNXCESA-N 1 0 239.363 0.751 20 30 BCEDRO C=CC[C@]1(C(=O)NC[C@@H](C)[NH+](C)C)CCC[NH2+]1 ZINC000662693695 412273489 /nfs/dbraw/zinc/27/34/89/412273489.db2.gz LLGLPYWYTAJIGZ-DGCLKSJQSA-N 1 0 239.363 0.751 20 30 BCEDRO N#Cc1nc(N[C@H]2CC[NH2+]C2)sc1Cl ZINC000596013282 412280477 /nfs/dbraw/zinc/28/04/77/412280477.db2.gz HQKMEGHRSOIIHI-YFKPBYRVSA-N 1 0 228.708 1.442 20 30 BCEDRO C[NH2+]CCNc1ccc(Cl)c(C#N)n1 ZINC000420151860 412289659 /nfs/dbraw/zinc/28/96/59/412289659.db2.gz CLKIVGBTUQOREU-UHFFFAOYSA-N 1 0 210.668 1.238 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@H]1CCO[C@@H]1C[NH3+] ZINC000662615704 412242709 /nfs/dbraw/zinc/24/27/09/412242709.db2.gz PDZIBDPCTPTRGV-IVZWLZJFSA-N 1 0 212.293 0.431 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@H]1CCO[C@H]1C[NH3+] ZINC000662615703 412243652 /nfs/dbraw/zinc/24/36/52/412243652.db2.gz PDZIBDPCTPTRGV-GUBZILKMSA-N 1 0 212.293 0.431 20 30 BCEDRO C[N@H+]1CC=C(CNc2cc(C#N)ncn2)CC1 ZINC000392898360 412244463 /nfs/dbraw/zinc/24/44/63/412244463.db2.gz ODIHOTYOCGZYPX-UHFFFAOYSA-N 1 0 229.287 1.022 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+]CCNc2cnccn2)C1 ZINC000447581766 412245116 /nfs/dbraw/zinc/24/51/16/412245116.db2.gz VYQGUZPNHQIOJN-VXGBXAGGSA-N 1 0 245.330 1.560 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)[C@H]1CC12CC[NH2+]CC2 ZINC000564935810 412251373 /nfs/dbraw/zinc/25/13/73/412251373.db2.gz CAOCWHBEPSLODA-SECBINFHSA-N 1 0 245.286 0.610 20 30 BCEDRO C[N@@H+]1CCCC[C@@H](CNc2cc(C#N)ncn2)C1 ZINC000599139457 412251591 /nfs/dbraw/zinc/25/15/91/412251591.db2.gz OFQVEYQYHOHGEK-NSHDSACASA-N 1 0 245.330 1.492 20 30 BCEDRO N#Cc1cc(NCC[N@H+]2CC=CCC2)ncn1 ZINC000392821436 412252302 /nfs/dbraw/zinc/25/23/02/412252302.db2.gz HFTCYPNYTYHHIO-UHFFFAOYSA-N 1 0 229.287 1.022 20 30 BCEDRO N#Cc1cc(N[C@@H]2CC[NH2+]C2)nc(C2CC2)n1 ZINC000601980086 412253764 /nfs/dbraw/zinc/25/37/64/412253764.db2.gz DJBNNFHUBRWKFK-SECBINFHSA-N 1 0 229.287 0.999 20 30 BCEDRO C=CC[C@]1(C(=O)Nc2nnc(C)n2C)CCC[NH2+]1 ZINC000662808184 412307715 /nfs/dbraw/zinc/30/77/15/412307715.db2.gz RLWQXTGVIWFVQJ-GFCCVEGCSA-N 1 0 249.318 0.760 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@H]2CO[C@H](C)C2)CCC[NH2+]1 ZINC000662822480 412311753 /nfs/dbraw/zinc/31/17/53/412311753.db2.gz AXYVGSSCINOGCH-NQBHXWOUSA-N 1 0 238.331 0.978 20 30 BCEDRO C=CCN(C(=O)COCC[NH3+])[C@@H](C)COC ZINC000662854385 412323974 /nfs/dbraw/zinc/32/39/74/412323974.db2.gz MQZRCMBBJMAVSB-JTQLQIEISA-N 1 0 230.308 0.011 20 30 BCEDRO C=CCN(C(=O)[C@H]1C[NH2+]CCO1)[C@H](C)COC ZINC000662856142 412325454 /nfs/dbraw/zinc/32/54/54/412325454.db2.gz ZVLFCKJRRQNLRP-GHMZBOCLSA-N 1 0 242.319 0.024 20 30 BCEDRO C=CCC1(NC(=O)[C@H](C)[NH3+])CCOCC1 ZINC000662873158 412330886 /nfs/dbraw/zinc/33/08/86/412330886.db2.gz GFKFMACCQFHKOK-VIFPVBQESA-N 1 0 212.293 0.575 20 30 BCEDRO C=CCOCCCNC(=O)c1c[nH+]ccc1N ZINC000662872646 412331062 /nfs/dbraw/zinc/33/10/62/412331062.db2.gz ICZBGWXWSDFXFK-UHFFFAOYSA-N 1 0 235.287 0.817 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000665529701 412348597 /nfs/dbraw/zinc/34/85/97/412348597.db2.gz RFTHVOBKPDTVRL-ZYHUDNBSSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000665531162 412349964 /nfs/dbraw/zinc/34/99/64/412349964.db2.gz QTCAHNMZNOXMFX-NSHDSACASA-N 1 0 226.320 0.334 20 30 BCEDRO C=C[C@H](O)C(=O)NCCC[NH+]1CCCCCC1 ZINC000665537202 412354188 /nfs/dbraw/zinc/35/41/88/412354188.db2.gz JHJSEHUZWGZNLO-LBPRGKRZSA-N 1 0 240.347 0.916 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@H](C)C[NH2+]C ZINC000662962267 412355748 /nfs/dbraw/zinc/35/57/48/412355748.db2.gz JHOUTTQNXRYNMN-NXEZZACHSA-N 1 0 214.309 0.692 20 30 BCEDRO C[NH2+]CCCc1[nH]nc(NC(=O)C2CC2)c1C#N ZINC000523395410 412291311 /nfs/dbraw/zinc/29/13/11/412291311.db2.gz PBOUFOMGSXZBAL-UHFFFAOYSA-N 1 0 247.302 0.782 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@@H](C)c2nc[nH]n2)CCC[NH2+]1 ZINC000662752138 412291561 /nfs/dbraw/zinc/29/15/61/412291561.db2.gz HOCLHGLTKVPGLN-JOYOIKCWSA-N 1 0 249.318 0.680 20 30 BCEDRO C[NH2+]C[C@@H](C)CNc1cc(C#N)ncn1 ZINC000393742821 412292449 /nfs/dbraw/zinc/29/24/49/412292449.db2.gz ZHASMCUMWAQSHC-MRVPVSSYSA-N 1 0 205.265 0.616 20 30 BCEDRO C=CC[C@@]1(C(=O)N2CCN(C)CC2)CCC[NH2+]1 ZINC000662763038 412293667 /nfs/dbraw/zinc/29/36/67/412293667.db2.gz IXKTVQXHGRJPRM-ZDUSSCGKSA-N 1 0 237.347 0.459 20 30 BCEDRO C=CC[C@]1(C(=O)N2CCN(C)CC2)CCC[NH2+]1 ZINC000662763037 412293793 /nfs/dbraw/zinc/29/37/93/412293793.db2.gz IXKTVQXHGRJPRM-CYBMUJFWSA-N 1 0 237.347 0.459 20 30 BCEDRO C=CC[C@]1(C(=O)N[C@@H]2CCOC2)CCC[NH2+]1 ZINC000662791575 412304026 /nfs/dbraw/zinc/30/40/26/412304026.db2.gz BGUNUXKRDIHRLN-ZYHUDNBSSA-N 1 0 224.304 0.590 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](CO)Cc1ccc(F)cc1 ZINC000264116628 172957157 /nfs/dbraw/zinc/95/71/57/172957157.db2.gz SYTLVOCFHWJWOA-JTQLQIEISA-N 1 0 239.294 0.511 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000131878237 173014077 /nfs/dbraw/zinc/01/40/77/173014077.db2.gz UKARRAMCJWEHPX-UHFFFAOYSA-N 1 0 232.287 0.664 20 30 BCEDRO C[N@@H+]1CCCN(c2cnc(C#N)cn2)CC1 ZINC000071178752 173019554 /nfs/dbraw/zinc/01/95/54/173019554.db2.gz CJRIWMIBSHWKFS-UHFFFAOYSA-N 1 0 217.276 0.490 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNc1cnccc1C#N ZINC000129381812 173074782 /nfs/dbraw/zinc/07/47/82/173074782.db2.gz WNIWXKCVEGRCCG-GFCCVEGCSA-N 1 0 245.330 0.611 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNc1ccnc(C#N)c1 ZINC000068806437 173074845 /nfs/dbraw/zinc/07/48/45/173074845.db2.gz RUNFVOYPTIBCOC-CYBMUJFWSA-N 1 0 245.330 0.611 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNc1cccc(C#N)n1 ZINC000080119422 173076063 /nfs/dbraw/zinc/07/60/63/173076063.db2.gz DSPNSILOUOTMFF-GFCCVEGCSA-N 1 0 245.330 0.611 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNc1cnccc1C#N ZINC000227439876 173076401 /nfs/dbraw/zinc/07/64/01/173076401.db2.gz WNIWXKCVEGRCCG-LBPRGKRZSA-N 1 0 245.330 0.611 20 30 BCEDRO C[NH+]1CCN(C[C@H](O)c2ccc(C#N)cc2)CC1 ZINC000034673882 173086108 /nfs/dbraw/zinc/08/61/08/173086108.db2.gz QWZRGIGWGQQYQL-AWEZNQCLSA-N 1 0 245.326 0.839 20 30 BCEDRO CN1CCO[C@@H](CNC(=[NH2+])Nc2ccccc2)C1 ZINC000211429990 173100192 /nfs/dbraw/zinc/10/01/92/173100192.db2.gz PLOGRYBUSXINPZ-LBPRGKRZSA-N 1 0 248.330 0.744 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000160109187 173115792 /nfs/dbraw/zinc/11/57/92/173115792.db2.gz YDWMSBQNLFKIJN-VIFPVBQESA-N 1 0 232.287 0.568 20 30 BCEDRO C[NH2+][C@H]1CCN(C(=O)c2ccc(C#N)cc2)C1 ZINC000128939788 173464212 /nfs/dbraw/zinc/46/42/12/173464212.db2.gz UCAUEHPOKQJLGF-LBPRGKRZSA-N 1 0 229.283 0.992 20 30 BCEDRO COCCC[NH2+][C@@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115594967 174249401 /nfs/dbraw/zinc/24/94/01/174249401.db2.gz XTKFODLWPNPCBU-GFCCVEGCSA-N 1 0 247.298 0.711 20 30 BCEDRO COCC[N@H+](C)CCCNc1nccc(C#N)n1 ZINC000296220907 174274708 /nfs/dbraw/zinc/27/47/08/174274708.db2.gz DFVZTFFBBCELTB-UHFFFAOYSA-N 1 0 249.318 0.728 20 30 BCEDRO COCC[C@@H](CO)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000282308106 174388888 /nfs/dbraw/zinc/38/88/88/174388888.db2.gz SFFWUZSGPMQRHD-NSHDSACASA-N 1 0 237.303 0.384 20 30 BCEDRO COc1ccc(C#N)cc1CN1C[C@@H](O)[C@@H](O)C1 ZINC000131779780 175051863 /nfs/dbraw/zinc/05/18/63/175051863.db2.gz BCZZHCCNPIFXKP-TXEJJXNPSA-N 1 0 248.282 0.104 20 30 BCEDRO COc1ccc(C#N)cc1C[N@H+](C)CCC(N)=O ZINC000353192179 175052165 /nfs/dbraw/zinc/05/21/65/175052165.db2.gz KOLBTSDTRLXRDC-UHFFFAOYSA-N 1 0 247.298 0.874 20 30 BCEDRO C=C(CC)C[N@H+](C)CCN1CCCS1(=O)=O ZINC000678624501 487631951 /nfs/dbraw/zinc/63/19/51/487631951.db2.gz FPBQNBRNENFSLL-UHFFFAOYSA-N 1 0 246.376 0.920 20 30 BCEDRO C[C@@H]1CCCC[C@@H]1[NH2+]CC(=O)NCC#N ZINC000020052653 176080787 /nfs/dbraw/zinc/08/07/87/176080787.db2.gz QGWWIJPKMMPPOK-ZJUUUORDSA-N 1 0 209.293 0.794 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000668296956 487632999 /nfs/dbraw/zinc/63/29/99/487632999.db2.gz CCONIPMCWQHSOW-PWSUYJOCSA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@@H]1C[N@H+](CCCCC#N)C[C@H](CO)O1 ZINC000191718238 176287634 /nfs/dbraw/zinc/28/76/34/176287634.db2.gz AOBMXPPSHVKFSH-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C[C@H](CNC(=O)c1cc(C#N)c[nH]1)C[NH+](C)C ZINC000291710211 176676407 /nfs/dbraw/zinc/67/64/07/176676407.db2.gz HLCNDQSKVYXPPP-SECBINFHSA-N 1 0 234.303 0.814 20 30 BCEDRO C[C@H](O)C[N@H+](CCO)Cc1ccc(C#N)cc1 ZINC000289754914 176975565 /nfs/dbraw/zinc/97/55/65/176975565.db2.gz KIAAZFWXSKGKTJ-NSHDSACASA-N 1 0 234.299 0.733 20 30 BCEDRO C[C@H]1CCC[C@@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000285592191 177126198 /nfs/dbraw/zinc/12/61/98/177126198.db2.gz UQWUBJRKRHTPIS-UWVGGRQHSA-N 1 0 219.292 0.928 20 30 BCEDRO C[C@H]1CCC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000285592195 177141830 /nfs/dbraw/zinc/14/18/30/177141830.db2.gz UQWUBJRKRHTPIS-VHSXEESVSA-N 1 0 219.292 0.928 20 30 BCEDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCCC#N ZINC000042428684 177182133 /nfs/dbraw/zinc/18/21/33/177182133.db2.gz VSRUVMSWMIXDNA-VHSXEESVSA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@@H]1CN(c2cnc(C#N)cn2)[C@@H](C)C[N@@H+]1C ZINC000408053584 177238224 /nfs/dbraw/zinc/23/82/24/177238224.db2.gz HQGDWNKUYXYSJI-ZJUUUORDSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@H]1C[N@H+](CCOCCC#N)C[C@H]1CO ZINC000339129069 177253359 /nfs/dbraw/zinc/25/33/59/177253359.db2.gz RZAHWVJXIFRPHN-QWRGUYRKSA-N 1 0 212.293 0.477 20 30 BCEDRO C[C@H]1CN(c2nccc(C#N)n2)C[C@@H]1[NH+](C)C ZINC000231904130 177277893 /nfs/dbraw/zinc/27/78/93/177277893.db2.gz UGWYBAJFXIYIGP-ONGXEEELSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@H]1C[N@H+](C)C[C@H]1C(=O)N1CC(C)(C#N)C1 ZINC000487583284 225317450 /nfs/dbraw/zinc/31/74/50/225317450.db2.gz OSGTXNWATBLHPA-VHSXEESVSA-N 1 0 221.304 0.556 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)NCC1(CC#N)CC1 ZINC000493527433 226239184 /nfs/dbraw/zinc/23/91/84/226239184.db2.gz SDNGCOKPYTUCHP-ARJAWSKDSA-N 1 0 221.304 0.914 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000668329473 487651635 /nfs/dbraw/zinc/65/16/35/487651635.db2.gz XNKOUWXPAQQFFC-MWLCHTKSSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CCC[N@@H+](C)C1 ZINC000668329472 487651718 /nfs/dbraw/zinc/65/17/18/487651718.db2.gz XNKOUWXPAQQFFC-KOLCDFICSA-N 1 0 212.293 0.134 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CCCCF ZINC000565770608 322937947 /nfs/dbraw/zinc/93/79/47/322937947.db2.gz AWKHPDREVLSQPT-NSHDSACASA-N 1 0 231.315 0.532 20 30 BCEDRO C#CCN(C)[C@@H](C)C(=O)N1CCCCC1 ZINC000298397261 487675750 /nfs/dbraw/zinc/67/57/50/487675750.db2.gz DWOQVGQQFYDGFC-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000671708386 487700779 /nfs/dbraw/zinc/70/07/79/487700779.db2.gz PHSDPAAKEAPYRR-NXEZZACHSA-N 1 0 212.293 0.086 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)CC(=O)NCC ZINC000675488489 487739938 /nfs/dbraw/zinc/73/99/38/487739938.db2.gz LZZRAHWPTMFMOB-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)CC(=O)N1CCCC1 ZINC000675486897 487740152 /nfs/dbraw/zinc/74/01/52/487740152.db2.gz PPWXZGAYLYABPA-LBPRGKRZSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(C)[C@H](CO)N(C)CC[N@H+](C)C1CC1 ZINC000681168172 487740583 /nfs/dbraw/zinc/74/05/83/487740583.db2.gz GDDXYDFKYLTZBC-LBPRGKRZSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCOCCNC(=O)NC1CCC([NH3+])CC1 ZINC000659517946 487770129 /nfs/dbraw/zinc/77/01/29/487770129.db2.gz CPXJIECLNCFANK-UHFFFAOYSA-N 1 0 241.335 0.758 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000668458451 487781737 /nfs/dbraw/zinc/78/17/37/487781737.db2.gz ZMVAZMAPQMEKRL-MNOVXSKESA-N 1 0 224.304 0.134 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H](O)C1 ZINC000764196064 585461379 /nfs/dbraw/zinc/46/13/79/585461379.db2.gz NHHKZVCXUDWFCE-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCCC[N@@H+](C)CCOC ZINC000666341950 487789853 /nfs/dbraw/zinc/78/98/53/487789853.db2.gz BBGBINQAUKQQRL-GFCCVEGCSA-N 1 0 244.335 0.008 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H](C)[N@@H+]1CCCC[C@H]1C ZINC000666379342 487794295 /nfs/dbraw/zinc/79/42/95/487794295.db2.gz OIRCSHTXSVGVSR-WOPDTQHZSA-N 1 0 240.347 0.912 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CCC[C@@H]1F ZINC000591767780 487798191 /nfs/dbraw/zinc/79/81/91/487798191.db2.gz JNSIPYMBUATEAG-SDDRHHMPSA-N 1 0 243.326 0.673 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000666428259 487806055 /nfs/dbraw/zinc/80/60/55/487806055.db2.gz LVSZJMRXWUBCDF-YPMHNXCESA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000666453307 487812841 /nfs/dbraw/zinc/81/28/41/487812841.db2.gz ASOLDSDGHJTAHD-VWYCJHECSA-N 1 0 224.304 0.276 20 30 BCEDRO C=CC[C@@H]1CC[C@@H]([NH2+]CCNS(C)(=O)=O)C1 ZINC000651664093 487813690 /nfs/dbraw/zinc/81/36/90/487813690.db2.gz DCCFZBYBYIGUKF-GHMZBOCLSA-N 1 0 246.376 0.870 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000681606548 487824565 /nfs/dbraw/zinc/82/45/65/487824565.db2.gz QQRMBOOLTXZLCK-GHMZBOCLSA-N 1 0 222.292 0.462 20 30 BCEDRO C[C@H](CO)NN=C1CCC[C@H]([NH+](C)C)C1 ZINC000788434004 585923164 /nfs/dbraw/zinc/92/31/64/585923164.db2.gz PRBAVMMXXRPWIX-KOLCDFICSA-N 1 0 213.325 0.817 20 30 BCEDRO C=CCN(CCOC)C(=S)NCC[NH+](C)C ZINC000790343839 585964006 /nfs/dbraw/zinc/96/40/06/585964006.db2.gz KSTDZJAZFXDSSH-UHFFFAOYSA-N 1 0 245.392 0.557 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C[C@@H](C)OC)C(C)C ZINC000491067080 526975046 /nfs/dbraw/zinc/97/50/46/526975046.db2.gz GJBOPVXZZVPDKH-GFCCVEGCSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)[C@@H]1CCCC[C@H]1O ZINC000491046058 527016539 /nfs/dbraw/zinc/01/65/39/527016539.db2.gz NTNNRSNYRJVTSC-IJLUTSLNSA-N 1 0 238.331 0.360 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CC[S@](C)=O ZINC000828597095 587453140 /nfs/dbraw/zinc/45/31/40/587453140.db2.gz LLTFDXZWRUKGLC-ZDMBXUJBSA-N 1 0 203.307 0.298 20 30 BCEDRO C#CCSCCNC(=O)NC/C=C\C[NH3+] ZINC000841833093 587976864 /nfs/dbraw/zinc/97/68/64/587976864.db2.gz ZQLCUFKTFYSXBH-ARJAWSKDSA-N 1 0 227.333 0.167 20 30 BCEDRO C[NH+](C)CCn1ccc(C(=O)N2CC(C#N)C2)n1 ZINC000594364347 487840019 /nfs/dbraw/zinc/84/00/19/487840019.db2.gz BMGVOUUUNIOSBU-UHFFFAOYSA-N 1 0 247.302 0.040 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)NCC#Cc1ccccc1 ZINC000668994530 487843217 /nfs/dbraw/zinc/84/32/17/487843217.db2.gz QBUFPKJRDZXTHK-NSHDSACASA-N 1 0 231.299 0.685 20 30 BCEDRO C=CCCNC(=O)C1(COC)CC[NH2+]CC1 ZINC000234605120 487844181 /nfs/dbraw/zinc/84/41/81/487844181.db2.gz BLQHEROVJZCHSC-UHFFFAOYSA-N 1 0 226.320 0.695 20 30 BCEDRO C=CCC[C@H](C)[NH2+][C@@H]1CS(=O)(=O)C[C@H]1OC ZINC000668507618 487863304 /nfs/dbraw/zinc/86/33/04/487863304.db2.gz PNYPMUIOXLWCEU-HBNTYKKESA-N 1 0 247.360 0.743 20 30 BCEDRO CCCCNC(=[NH2+])NC[C@@](C)(O)CC ZINC000170912644 640937518 /nfs/dbraw/zinc/93/75/18/640937518.db2.gz VALHALFGEXMIIC-JTQLQIEISA-N 1 0 201.314 0.852 20 30 BCEDRO C=CCC[NH2+]C[C@H](O)COCCOC ZINC000234718886 487866440 /nfs/dbraw/zinc/86/64/40/487866440.db2.gz RPBJEUPQUYMNCG-JTQLQIEISA-N 1 0 203.282 0.176 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000676560707 487872474 /nfs/dbraw/zinc/87/24/74/487872474.db2.gz NXZIUHQRDLGZHZ-SRVKXCTJSA-N 1 0 211.305 0.463 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CC[NH+](CC2CC2)CC1 ZINC000666800779 487881755 /nfs/dbraw/zinc/88/17/55/487881755.db2.gz NGGOXRHUXHZZKD-CYBMUJFWSA-N 1 0 238.331 0.478 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1csc(CC[NH3+])n1 ZINC000229221055 487895240 /nfs/dbraw/zinc/89/52/40/487895240.db2.gz DMTKRFAMTOZBJB-SSDOTTSWSA-N 1 0 225.317 0.949 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000666913225 487903079 /nfs/dbraw/zinc/90/30/79/487903079.db2.gz FYZIQRBACKVUEM-KOLCDFICSA-N 1 0 224.304 0.134 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000666914214 487903271 /nfs/dbraw/zinc/90/32/71/487903271.db2.gz AJEFCTYLQJJJET-ZWNOBZJWSA-N 1 0 238.331 0.524 20 30 BCEDRO C[NH2+]CCN(C)C(=O)NCC#Cc1ccccc1 ZINC000416953524 487913092 /nfs/dbraw/zinc/91/30/92/487913092.db2.gz VOMYYBNXLTYHLS-UHFFFAOYSA-N 1 0 245.326 0.899 20 30 BCEDRO CCC#C[C@@H](C)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000676876246 487939389 /nfs/dbraw/zinc/93/93/89/487939389.db2.gz GOECZTJFXPUUMV-MNOVXSKESA-N 1 0 208.305 0.986 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000667181675 487954021 /nfs/dbraw/zinc/95/40/21/487954021.db2.gz IRILXPYYRHESAG-SKDRFNHKSA-N 1 0 224.304 0.276 20 30 BCEDRO C#CC[N@@H+](CC(=O)N(C)C)C1CCCC1 ZINC000155811143 323002750 /nfs/dbraw/zinc/00/27/50/323002750.db2.gz NKMBGHBIFQAKSH-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](OC)C1 ZINC000246059223 323008014 /nfs/dbraw/zinc/00/80/14/323008014.db2.gz ABQZRHGQQULWKO-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1c1cc(C#N)ncn1 ZINC000562419602 323019435 /nfs/dbraw/zinc/01/94/35/323019435.db2.gz NBBQTNICAYYNIM-VHSXEESVSA-N 1 0 231.303 0.877 20 30 BCEDRO CC[C@H](CC#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000259924661 323021458 /nfs/dbraw/zinc/02/14/58/323021458.db2.gz MFHFMGUIHGALFG-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO CC(C)(C[NH3+])NC(=O)COc1ccc(C#N)cc1 ZINC000565146129 323032267 /nfs/dbraw/zinc/03/22/67/323032267.db2.gz AZGZNOIQGQZJCK-UHFFFAOYSA-N 1 0 247.298 0.791 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccs1 ZINC000064615476 323035775 /nfs/dbraw/zinc/03/57/75/323035775.db2.gz COOLQHQSEZHRFQ-UHFFFAOYSA-N 1 0 222.313 0.977 20 30 BCEDRO C=CCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000569706365 323037980 /nfs/dbraw/zinc/03/79/80/323037980.db2.gz NJWAGONJDUDLHE-UHFFFAOYSA-N 1 0 222.292 0.361 20 30 BCEDRO C[NH+](C)[C@H]1CN(CC#Cc2ccccc2)C[C@@H]1O ZINC000572981802 323038491 /nfs/dbraw/zinc/03/84/91/323038491.db2.gz BRYAXLVIULJRQT-GJZGRUSLSA-N 1 0 244.338 0.645 20 30 BCEDRO N#CCCC[C@H]([NH3+])C(=O)N[C@@H]1CCSC1 ZINC000562965701 323049330 /nfs/dbraw/zinc/04/93/30/323049330.db2.gz UJJKOIRUMBDMBH-BDAKNGLRSA-N 1 0 227.333 0.629 20 30 BCEDRO C=CC(C)(C)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000570408727 323058869 /nfs/dbraw/zinc/05/88/69/323058869.db2.gz IDGSJUCBKRSVTF-UWVGGRQHSA-N 1 0 226.320 0.332 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2C[NH2+]CCO2)CCCC1 ZINC000570692392 323067349 /nfs/dbraw/zinc/06/73/49/323067349.db2.gz DINJHKMFIMWXCA-SNVBAGLBSA-N 1 0 237.303 0.175 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000570843948 323072178 /nfs/dbraw/zinc/07/21/78/323072178.db2.gz WIFYMVLTSMKSNG-UWVGGRQHSA-N 1 0 241.335 0.311 20 30 BCEDRO CCN(CC#N)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000163846065 323077043 /nfs/dbraw/zinc/07/70/43/323077043.db2.gz IPGHKKYYUUBZMQ-SNVBAGLBSA-N 1 0 241.360 0.796 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C[NH2+]C2CC2)C1 ZINC000562981155 323077994 /nfs/dbraw/zinc/07/79/94/323077994.db2.gz TUUJSQGOJVKXSW-WCBMZHEXSA-N 1 0 207.277 0.547 20 30 BCEDRO C=C(CC)C[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000313495678 323091950 /nfs/dbraw/zinc/09/19/50/323091950.db2.gz YCDPNAFJXHGCCK-LBPRGKRZSA-N 1 0 212.337 0.997 20 30 BCEDRO N#Cc1ccc(C[NH2+]C(CO)CO)cc1F ZINC000403980841 323092543 /nfs/dbraw/zinc/09/25/43/323092543.db2.gz FYLBFRUAXMVSSY-UHFFFAOYSA-N 1 0 224.235 0.140 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000570960288 323101604 /nfs/dbraw/zinc/10/16/04/323101604.db2.gz OFXJCSDGQVVNCN-UWVGGRQHSA-N 1 0 211.309 0.777 20 30 BCEDRO N#CCCN1CCC(CO)([NH2+]CC2CC2)CC1 ZINC000563218541 323104216 /nfs/dbraw/zinc/10/42/16/323104216.db2.gz VLKUVTVSVLZSOO-UHFFFAOYSA-N 1 0 237.347 0.727 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1CCCC1 ZINC000563343408 323119331 /nfs/dbraw/zinc/11/93/31/323119331.db2.gz SISMTBGNMBMIHD-CYBMUJFWSA-N 1 0 239.363 0.973 20 30 BCEDRO CC[C@](C)(O)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000563360604 323119692 /nfs/dbraw/zinc/11/96/92/323119692.db2.gz QRWQQAYTBJPRIL-LBPRGKRZSA-N 1 0 239.319 0.205 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)NCC1(C#N)CC1 ZINC000571145045 323136452 /nfs/dbraw/zinc/13/64/52/323136452.db2.gz IUOBGZGILQUEBO-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO NC(=[NH2+])NCc1ccc(OCC(F)(F)F)nc1 ZINC000303266748 323157223 /nfs/dbraw/zinc/15/72/23/323157223.db2.gz WJSUCAWVFQTJMH-UHFFFAOYSA-N 1 0 248.208 0.796 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000535323188 323170817 /nfs/dbraw/zinc/17/08/17/323170817.db2.gz YUXDOOCFNAQQOH-UWVGGRQHSA-N 1 0 241.360 0.700 20 30 BCEDRO C[C@@H](CNc1cc(C#N)ncn1)[NH+](C)C ZINC000308800870 323178233 /nfs/dbraw/zinc/17/82/33/323178233.db2.gz KVQANXLEUIPCKP-QMMMGPOBSA-N 1 0 205.265 0.710 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000320666476 323182959 /nfs/dbraw/zinc/18/29/59/323182959.db2.gz RMUSPVJGTJZYOA-DGCLKSJQSA-N 1 0 242.363 0.358 20 30 BCEDRO C=C(C)COCCNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000417881398 323186751 /nfs/dbraw/zinc/18/67/51/323186751.db2.gz DVLNULFQGNOJRN-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C#CC[N@H+]1CCCC[C@@H]1CCNS(C)(=O)=O ZINC000052134265 323192622 /nfs/dbraw/zinc/19/26/22/323192622.db2.gz JHQYIAXXPLTYRA-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000527352683 323196845 /nfs/dbraw/zinc/19/68/45/323196845.db2.gz ABMNXHAFYQYXOG-SNVBAGLBSA-N 1 0 238.335 0.930 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000571880080 323496945 /nfs/dbraw/zinc/49/69/45/323496945.db2.gz LPQZAOSDTHJDQM-UKKRHICBSA-N 1 0 221.304 0.793 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)C(F)(F)F ZINC000320397400 323563044 /nfs/dbraw/zinc/56/30/44/323563044.db2.gz OCBIJIAZHPDVQR-RNFRBKRXSA-N 1 0 213.199 0.436 20 30 BCEDRO C=C(C)COCCNC(=O)N(C)CC[NH2+]C ZINC000417898996 487959973 /nfs/dbraw/zinc/95/99/73/487959973.db2.gz ZSCYJFHQCWMXOB-UHFFFAOYSA-N 1 0 229.324 0.440 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)[C@H]1CC[N@@H+](C)C1 ZINC000537120807 324013447 /nfs/dbraw/zinc/01/34/47/324013447.db2.gz KGYLAXFACAAHRO-MNOVXSKESA-N 1 0 226.320 0.239 20 30 BCEDRO Cc1nn(CC[C@@H]2CC[NH2+]C2)c(N)c1C#N ZINC000572475087 324114553 /nfs/dbraw/zinc/11/45/53/324114553.db2.gz VEYCGVJFGMUAPI-VIFPVBQESA-N 1 0 219.292 0.645 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC1CC[NH2+]CC1 ZINC000491765205 324160387 /nfs/dbraw/zinc/16/03/87/324160387.db2.gz DZFBZADHZQNFLR-UHFFFAOYSA-N 1 0 233.315 0.407 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1CCC[C@H]1C[C@@H](C)O ZINC000152562472 324187464 /nfs/dbraw/zinc/18/74/64/324187464.db2.gz KSNKKKICXAILLJ-WOPDTQHZSA-N 1 0 238.331 0.360 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1(C)CC1 ZINC000328212575 324239819 /nfs/dbraw/zinc/23/98/19/324239819.db2.gz WYURJUHEVWOLCI-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO CC[NH+](CC)CCNC(=O)NC[C@H](C)C#N ZINC000542876509 325059474 /nfs/dbraw/zinc/05/94/74/325059474.db2.gz DWXUAJMRWCFFLF-SNVBAGLBSA-N 1 0 226.324 0.787 20 30 BCEDRO C=CCNC(=O)CN[C@H]1CC[N@@H+](CC)C[C@H]1C ZINC000133314528 325285798 /nfs/dbraw/zinc/28/57/98/325285798.db2.gz XCNAHPIUUBAOJX-NEPJUHHUSA-N 1 0 239.363 0.609 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000133314738 325285860 /nfs/dbraw/zinc/28/58/60/325285860.db2.gz XCNAHPIUUBAOJX-VXGBXAGGSA-N 1 0 239.363 0.609 20 30 BCEDRO Cc1nc(C(=O)NCCC[NH+](C)C)ccc1C#N ZINC000075536962 325299724 /nfs/dbraw/zinc/29/97/24/325299724.db2.gz VKIMRZSTYJTGKE-UHFFFAOYSA-N 1 0 246.314 0.943 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](COC)C(C)C ZINC000134403017 325357444 /nfs/dbraw/zinc/35/74/44/325357444.db2.gz GBIXQKMRMGTCTP-JTQLQIEISA-N 1 0 214.309 0.549 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]CCCNS(C)(=O)=O ZINC000134911711 325382611 /nfs/dbraw/zinc/38/26/11/325382611.db2.gz KMPHISMKZKGFED-SNVBAGLBSA-N 1 0 234.365 0.870 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547768575 325394262 /nfs/dbraw/zinc/39/42/62/325394262.db2.gz AWGMZPLLLOEPEK-KXUCPTDWSA-N 1 0 239.319 0.869 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N(C)CC[NH+]1CCCC1 ZINC000089898130 325670792 /nfs/dbraw/zinc/67/07/92/325670792.db2.gz QJRYVBVSQVONEP-GFCCVEGCSA-N 1 0 239.363 0.705 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000554965359 325740992 /nfs/dbraw/zinc/74/09/92/325740992.db2.gz JKEGVYHTRXDRAC-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)N(C)CCC[NH3+] ZINC000564841842 325815012 /nfs/dbraw/zinc/81/50/12/325815012.db2.gz SYRJHDUOBGGMRI-QWRGUYRKSA-N 1 0 241.335 0.568 20 30 BCEDRO C=CCCC[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000565300801 325893833 /nfs/dbraw/zinc/89/38/33/325893833.db2.gz WPIJCDJOAVWAAU-SECBINFHSA-N 1 0 205.323 0.975 20 30 BCEDRO CC[C@@H](CC#N)[NH2+]C[C@@H](O)CSC ZINC000565841941 325964549 /nfs/dbraw/zinc/96/45/49/325964549.db2.gz NIHQNWPHUNQMBG-DTWKUNHWSA-N 1 0 202.323 0.992 20 30 BCEDRO N#CCc1ccc(Cn2nnnc2C[NH3+])cc1 ZINC000566184809 326008004 /nfs/dbraw/zinc/00/80/04/326008004.db2.gz OSOVRUHZWPPZEF-UHFFFAOYSA-N 1 0 228.259 0.246 20 30 BCEDRO C=CC[N@@H+](CCNC(=O)NC(C)C)CCOC ZINC000566734499 326077848 /nfs/dbraw/zinc/07/78/48/326077848.db2.gz GGFXTAXNJOGODH-UHFFFAOYSA-N 1 0 243.351 0.828 20 30 BCEDRO C=CCCCC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000566746102 326079745 /nfs/dbraw/zinc/07/97/45/326079745.db2.gz UAYATOADVSHXTH-NSHDSACASA-N 1 0 212.293 0.577 20 30 BCEDRO N#CCC[C@@H](C#N)C[NH2+]C[C@@H](O)C1CC1 ZINC000567111170 326117635 /nfs/dbraw/zinc/11/76/35/326117635.db2.gz MAPXBEUPIPVFMI-GXSJLCMTSA-N 1 0 207.277 0.790 20 30 BCEDRO N#Cc1ccc(C[N@H+]2CCC[C@H](C(N)=O)C2)o1 ZINC000155019866 326179287 /nfs/dbraw/zinc/17/92/87/326179287.db2.gz QIBYBJOCWJOJAZ-VIFPVBQESA-N 1 0 233.271 0.849 20 30 BCEDRO C=C1CCN(C[C@@H](O)C[N@@H+](C)CC)CC1 ZINC000567482951 326201885 /nfs/dbraw/zinc/20/18/85/326201885.db2.gz CYITYRXFSVWIMZ-LBPRGKRZSA-N 1 0 212.337 0.951 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H]1C[NH+]2CCC1CC2 ZINC000668589067 487971876 /nfs/dbraw/zinc/97/18/76/487971876.db2.gz XAWJFBRPCUBZSU-MNOVXSKESA-N 1 0 224.304 0.086 20 30 BCEDRO C#CC[N@@H+](CC(=O)NC(=O)NC)C1CCCC1 ZINC000155724611 326209379 /nfs/dbraw/zinc/20/93/79/326209379.db2.gz LSWNPBPUXTZJND-UHFFFAOYSA-N 1 0 237.303 0.320 20 30 BCEDRO CC[NH2+]CCNC(=O)COc1ccc(C#N)cc1 ZINC000567622746 326231409 /nfs/dbraw/zinc/23/14/09/326231409.db2.gz RLMNGJDHHXEBBZ-UHFFFAOYSA-N 1 0 247.298 0.663 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CC1(C)C ZINC000567691038 326245944 /nfs/dbraw/zinc/24/59/44/326245944.db2.gz NTGOAJMSMUVJPN-VXGBXAGGSA-N 1 0 239.363 0.828 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)NCc1ccc(CC#N)cc1 ZINC000567819969 326263090 /nfs/dbraw/zinc/26/30/90/326263090.db2.gz CFORLERWISTCLS-SNVBAGLBSA-N 1 0 246.314 0.899 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000567988732 326292111 /nfs/dbraw/zinc/29/21/11/326292111.db2.gz NJMUIAWNUMARRG-MXWKQRLJSA-N 1 0 212.293 0.354 20 30 BCEDRO CC(C)(C#N)CCC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000568002395 326294292 /nfs/dbraw/zinc/29/42/92/326294292.db2.gz SCGRPXWHZFTCBU-NEPJUHHUSA-N 1 0 240.347 0.991 20 30 BCEDRO Cc1nc(C(=O)N[C@@H](C)[C@H](C)[NH3+])ccc1C#N ZINC000568153036 326314196 /nfs/dbraw/zinc/31/41/96/326314196.db2.gz UHWHEZUYGUEARC-YUMQZZPRSA-N 1 0 232.287 0.727 20 30 BCEDRO C=CCN(CCC#N)C[C@@H](O)C[N@@H+](C)CC ZINC000568176894 326320564 /nfs/dbraw/zinc/32/05/64/326320564.db2.gz HVASHBQXQCYGMN-LBPRGKRZSA-N 1 0 225.336 0.701 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@@H](C)[NH+]1CC(C)C1 ZINC000568206005 326326086 /nfs/dbraw/zinc/32/60/86/326326086.db2.gz ZWIFQHJWKOXRCV-GFCCVEGCSA-N 1 0 240.347 0.988 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@@H]1CC12CC2 ZINC000568255563 326335911 /nfs/dbraw/zinc/33/59/11/326335911.db2.gz NSYJZBORQLHNOU-NWDGAFQWSA-N 1 0 237.347 0.582 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1CC12CC2 ZINC000568255565 326336008 /nfs/dbraw/zinc/33/60/08/326336008.db2.gz NSYJZBORQLHNOU-VXGBXAGGSA-N 1 0 237.347 0.582 20 30 BCEDRO N#CCC1(CNC(=O)NC[C@@H]2CCC[NH2+]2)CC1 ZINC000568737955 326373835 /nfs/dbraw/zinc/37/38/35/326373835.db2.gz YWLQQBLWQPFLHR-JTQLQIEISA-N 1 0 236.319 0.731 20 30 BCEDRO CC#CCN1CCN(CC#CC)[C@H](CCO)C1 ZINC000568832151 326378567 /nfs/dbraw/zinc/37/85/67/326378567.db2.gz MANXVMDNKGSWIZ-CQSZACIVSA-N 1 0 234.343 0.402 20 30 BCEDRO CC[C@H](COC)[NH2+]C[C@H](O)CN(C)CCC#N ZINC000568873315 326380394 /nfs/dbraw/zinc/38/03/94/326380394.db2.gz STCVGYDKYGRAHC-NEPJUHHUSA-N 1 0 243.351 0.207 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000572999304 326423854 /nfs/dbraw/zinc/42/38/54/326423854.db2.gz QRIHEHTUGBEUTN-GHMZBOCLSA-N 1 0 243.351 0.956 20 30 BCEDRO C=CCN(CCOC)C(=O)N[C@@H](C)C[C@H](C)[NH3+] ZINC000572999306 326423890 /nfs/dbraw/zinc/42/38/90/326423890.db2.gz QRIHEHTUGBEUTN-QWRGUYRKSA-N 1 0 243.351 0.956 20 30 BCEDRO C=CCOCC(=O)NCCC1(C[NH3+])CC1 ZINC000653218808 487976968 /nfs/dbraw/zinc/97/69/68/487976968.db2.gz LHAVLKRIDYSKQP-UHFFFAOYSA-N 1 0 212.293 0.434 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCN(CCOC)CC1 ZINC000677133141 487980482 /nfs/dbraw/zinc/98/04/82/487980482.db2.gz JRIZSXIIAXMRIU-GFCCVEGCSA-N 1 0 228.336 0.187 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)Nc2n[nH]cc2C#N)C1 ZINC000602165083 487987036 /nfs/dbraw/zinc/98/70/36/487987036.db2.gz PTSAYMFGZWONII-QMMMGPOBSA-N 1 0 233.275 0.562 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@]2(CC)CCOC2)C1=O ZINC000685004856 487990349 /nfs/dbraw/zinc/99/03/49/487990349.db2.gz OSCIAWYCJCHHGK-DGCLKSJQSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CCCOCC(=O)N1CC[NH2+]C[C@H]1C ZINC000309635081 488004220 /nfs/dbraw/zinc/00/42/20/488004220.db2.gz MAPJDHZHKHZSDT-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO COCC#CCN1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000640140705 488015671 /nfs/dbraw/zinc/01/56/71/488015671.db2.gz MNRLKSCTSOETIS-CYBMUJFWSA-N 1 0 224.348 0.908 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)OC(C)(C)C1 ZINC000491068985 488030095 /nfs/dbraw/zinc/03/00/95/488030095.db2.gz SOECWJXRVBKLEO-LLVKDONJSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[N@@H+](CCNC(=O)NC(C)C)C1CC1 ZINC000491526094 488034752 /nfs/dbraw/zinc/03/47/52/488034752.db2.gz XECBTNNICYTYQN-UHFFFAOYSA-N 1 0 223.320 0.792 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000669177973 488042997 /nfs/dbraw/zinc/04/29/97/488042997.db2.gz PUEKONMCAINKIF-PWSUYJOCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCOCCCNC(=O)N1CC[C@@H]([NH2+]C)C1 ZINC000659595322 488046334 /nfs/dbraw/zinc/04/63/34/488046334.db2.gz BQSBCXYWBRWROS-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N[C@]1(C#N)CCSC1 ZINC000604474427 488047495 /nfs/dbraw/zinc/04/74/95/488047495.db2.gz NXRLGEJOWCCSJC-NSHDSACASA-N 1 0 241.360 0.842 20 30 BCEDRO COCC#CCN1CC[NH+](CC(C)(C)O)CC1 ZINC000677477985 488047767 /nfs/dbraw/zinc/04/77/67/488047767.db2.gz HZRIJKMVOTYDSU-UHFFFAOYSA-N 1 0 240.347 0.025 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000668693089 488122780 /nfs/dbraw/zinc/12/27/80/488122780.db2.gz NEBCUQSGCCFAEZ-MWLCHTKSSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H](C)CC[NH+](C)C ZINC000668693086 488122794 /nfs/dbraw/zinc/12/27/94/488122794.db2.gz NEBCUQSGCCFAEZ-GXSJLCMTSA-N 1 0 214.309 0.380 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000677808108 488127863 /nfs/dbraw/zinc/12/78/63/488127863.db2.gz BFYNKILVEYWWKI-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C=C1CCN(C(=O)[C@H]2C[NH2+]CCO2)CC1 ZINC000382547625 487545614 /nfs/dbraw/zinc/54/56/14/487545614.db2.gz QAURSLWEYCBWKG-SNVBAGLBSA-N 1 0 210.277 0.153 20 30 BCEDRO C=CCOCCNC(=O)[C@@]1(CC)CCC[NH2+]1 ZINC000304244569 487483312 /nfs/dbraw/zinc/48/33/12/487483312.db2.gz OUXZWNXWBNLNGH-GFCCVEGCSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCOCCNC(=O)[C@@H]([NH3+])C(C)(C)C ZINC000308786844 487488477 /nfs/dbraw/zinc/48/84/77/487488477.db2.gz GPUAAEYPKRVMNT-SECBINFHSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CCCOC[C@@H]2C)C1=O ZINC000685003685 487490697 /nfs/dbraw/zinc/49/06/97/487490697.db2.gz KPYQVCQMPAYYAA-RYUDHWBXSA-N 1 0 238.331 0.884 20 30 BCEDRO COCC#CCN1CCC[C@H]1C(=O)NC1CC1 ZINC000677817030 487505802 /nfs/dbraw/zinc/50/58/02/487505802.db2.gz FQBAPGKKQMQNHC-LBPRGKRZSA-N 1 0 236.315 0.379 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)CC1CC[NH+](C)CC1 ZINC000668234688 487508979 /nfs/dbraw/zinc/50/89/79/487508979.db2.gz QPOREZQFSQFLOW-CYBMUJFWSA-N 1 0 240.347 0.724 20 30 BCEDRO CCC#C[C@H](C)N1CC[N@H+](CCO)[C@H](C)C1 ZINC000681712291 487513960 /nfs/dbraw/zinc/51/39/60/487513960.db2.gz SVZWPUWEBSYBRF-QWHCGFSZSA-N 1 0 224.348 0.787 20 30 BCEDRO COCC#CC[NH+]1CCC(O)(COC)CC1 ZINC000677819665 487515519 /nfs/dbraw/zinc/51/55/19/487515519.db2.gz JRZROPPLEIVPFR-UHFFFAOYSA-N 1 0 227.304 0.110 20 30 BCEDRO CNC(=O)CC1CC[NH+](CC#CCOC)CC1 ZINC000677819865 487517050 /nfs/dbraw/zinc/51/70/50/487517050.db2.gz CDCJINVCKHVFDO-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C=C[C@@H](C)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000674934250 487658265 /nfs/dbraw/zinc/65/82/65/487658265.db2.gz VDOLGRIKEJTGCJ-NXEZZACHSA-N 1 0 211.309 0.954 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)C1CC[NH+](C(C)C)CC1 ZINC000665881376 487762556 /nfs/dbraw/zinc/76/25/56/487762556.db2.gz UDTZBHZPXOMJMM-GFCCVEGCSA-N 1 0 240.347 0.865 20 30 BCEDRO COCC#CC[N@H+]1CCC[C@H](OCCOC)C1 ZINC000677820074 488136021 /nfs/dbraw/zinc/13/60/21/488136021.db2.gz WOCOTMATSIWMIR-ZDUSSCGKSA-N 1 0 241.331 0.764 20 30 BCEDRO CCOC[C@H]1CC[N@H+](CC#CCOC)C1 ZINC000677820529 488137303 /nfs/dbraw/zinc/13/73/03/488137303.db2.gz QJXWJYAOLCYZDK-LBPRGKRZSA-N 1 0 211.305 0.995 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000668703115 488139957 /nfs/dbraw/zinc/13/99/57/488139957.db2.gz XQUFDOFKXOKZED-GXSJLCMTSA-N 1 0 226.320 0.380 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H](C)C1CC[NH+](C)CC1 ZINC000668703117 488140444 /nfs/dbraw/zinc/14/04/44/488140444.db2.gz XQUFDOFKXOKZED-MWLCHTKSSA-N 1 0 226.320 0.380 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000668011525 488184327 /nfs/dbraw/zinc/18/43/27/488184327.db2.gz DMPJRVUALVRCAU-PWSUYJOCSA-N 1 0 228.336 0.770 20 30 BCEDRO COCC#CCN1CC[N@H+](C)CC1(C)C ZINC000678047493 488184580 /nfs/dbraw/zinc/18/45/80/488184580.db2.gz UXLWROBYHFGENQ-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000678049618 488186408 /nfs/dbraw/zinc/18/64/08/488186408.db2.gz NBMZMXSKTBVCTQ-CHWSQXEVSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+](C)C[C@H]1CCN(C(C)=O)C1 ZINC000678049619 488186540 /nfs/dbraw/zinc/18/65/40/488186540.db2.gz NBMZMXSKTBVCTQ-OLZOCXBDSA-N 1 0 240.347 0.724 20 30 BCEDRO C=CCNC(=O)N1CCC[C@@]2(CC[NH2+]C2)C1 ZINC000334597522 488194310 /nfs/dbraw/zinc/19/43/10/488194310.db2.gz ITCUGIJDVAMTCA-LBPRGKRZSA-N 1 0 223.320 0.958 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000684008142 488254602 /nfs/dbraw/zinc/25/46/02/488254602.db2.gz MEXNPJWFLZHKLQ-GXFFZTMASA-N 1 0 249.314 0.462 20 30 BCEDRO COCC#CC[N@H+](C)[C@H](C)CN1CCOCC1 ZINC000684003433 488254643 /nfs/dbraw/zinc/25/46/43/488254643.db2.gz KMNOEAJQSAMRKG-CYBMUJFWSA-N 1 0 240.347 0.289 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@](C)(O)CC1 ZINC000684212865 488278215 /nfs/dbraw/zinc/27/82/15/488278215.db2.gz NRDGUDCKLSENDA-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO COCC#CC[N@H+](CCO)[C@H]1CCO[C@H]1C ZINC000684628325 488335892 /nfs/dbraw/zinc/33/58/92/488335892.db2.gz JFYRXNWELVFQLM-RYUDHWBXSA-N 1 0 227.304 0.108 20 30 BCEDRO C=CCOCC(=O)N(C)CCC[NH+](C)C ZINC000678865582 488291389 /nfs/dbraw/zinc/29/13/89/488291389.db2.gz DFLMUWJSPPXGOW-UHFFFAOYSA-N 1 0 214.309 0.599 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)[C@H](C)[NH+](C)C ZINC000653828797 490146454 /nfs/dbraw/zinc/14/64/54/490146454.db2.gz HXBLUYHGNGTLJO-AEJSXWLSSA-N 1 0 212.293 0.396 20 30 BCEDRO C=C[C@H](O)C(=O)N(CC[NH+](C)C)C1CCCC1 ZINC000668669620 490497026 /nfs/dbraw/zinc/49/70/26/490497026.db2.gz AUYJQJDOWYMWKA-LBPRGKRZSA-N 1 0 240.347 0.866 20 30 BCEDRO C#C[C@@H](NC(=O)NC[C@@H]([NH3+])C(C)C)C(C)C ZINC000491726409 491080201 /nfs/dbraw/zinc/08/02/01/491080201.db2.gz DJNWQAFNEIWJPM-GHMZBOCLSA-N 1 0 225.336 0.927 20 30 BCEDRO C=CCOCCNC(=O)[C@H]([NH3+])Cc1ccccc1 ZINC000302422857 491085836 /nfs/dbraw/zinc/08/58/36/491085836.db2.gz RDNYPLUWGZAIAF-CYBMUJFWSA-N 1 0 248.326 0.875 20 30 BCEDRO C=CCOCCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000659518980 491114827 /nfs/dbraw/zinc/11/48/27/491114827.db2.gz MHZMTIMNDJLPOT-LLVKDONJSA-N 1 0 241.335 0.616 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1CCC(NC(C)=O)CC1 ZINC000677048184 491125781 /nfs/dbraw/zinc/12/57/81/491125781.db2.gz PCXNRJMIQRWLBM-LBPRGKRZSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N(C)CC(C)(C)[NH3+] ZINC000662297360 582485852 /nfs/dbraw/zinc/48/58/52/582485852.db2.gz LDBPECYRDBBMMV-SECBINFHSA-N 1 0 213.325 0.346 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](O)[C@@H](F)C1 ZINC000890679731 582501587 /nfs/dbraw/zinc/50/15/87/582501587.db2.gz FICIZJIZWBRGNX-QWRGUYRKSA-N 1 0 244.310 0.426 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC[C@H](O)C1CC1 ZINC000890719267 582515338 /nfs/dbraw/zinc/51/53/38/582515338.db2.gz DSBMNSABLRRALB-NSHDSACASA-N 1 0 226.320 0.381 20 30 BCEDRO CC#CCCNC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000891813685 582725614 /nfs/dbraw/zinc/72/56/14/582725614.db2.gz LLKRZLQDDXMKAS-MGCOHNPYSA-N 1 0 209.293 0.436 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@H]1CNC1=[NH+]CCN1C ZINC000262657734 534315873 /nfs/dbraw/zinc/31/58/73/534315873.db2.gz MAIGUPVURUUEDF-QWRGUYRKSA-N 1 0 223.320 0.859 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1C[NH2+]Cc1cnn(C)n1 ZINC000293320913 534353517 /nfs/dbraw/zinc/35/35/17/534353517.db2.gz QYPKCEFUFUSUTR-ZYHUDNBSSA-N 1 0 236.319 0.886 20 30 BCEDRO CN1C(=O)CC[C@H]([NH2+][C@@H]2CCC[C@@H](C#N)C2)C1=O ZINC000333607318 536309848 /nfs/dbraw/zinc/30/98/48/536309848.db2.gz RICGLPVYFPFWCE-MXWKQRLJSA-N 1 0 249.314 0.806 20 30 BCEDRO CNC(=[NH2+])NCc1nnc(SC)s1 ZINC000262787275 536304920 /nfs/dbraw/zinc/30/49/20/536304920.db2.gz MYGBLNODLBWFDM-UHFFFAOYSA-N 1 0 217.323 0.294 20 30 BCEDRO CNC(=[NH2+])NCc1cn2c(n1)CCCC2 ZINC000261830358 536305320 /nfs/dbraw/zinc/30/53/20/536305320.db2.gz ALYAKOALGQKWBQ-UHFFFAOYSA-N 1 0 207.281 0.254 20 30 BCEDRO C=C(CC)C[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000358511409 534372076 /nfs/dbraw/zinc/37/20/76/534372076.db2.gz RMEVOVQVBBCDLH-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO C=C(CC)C[NH+]1CCC2(CC1)NC(=O)NC2=O ZINC000336166593 534381246 /nfs/dbraw/zinc/38/12/46/534381246.db2.gz JOYQPVWSSQOJRG-UHFFFAOYSA-N 1 0 237.303 0.627 20 30 BCEDRO C=C(CC)C[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000339499004 534382327 /nfs/dbraw/zinc/38/23/27/534382327.db2.gz XMHOMCUWRDBMQI-UHFFFAOYSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C[C@@H](CO)NC(=O)CC1CC[NH+](C)CC1 ZINC000292831461 534517823 /nfs/dbraw/zinc/51/78/23/534517823.db2.gz WSQIRBJCNIAEOW-NSHDSACASA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]([NH3+])[C@@H](C)C1 ZINC000333600516 534600583 /nfs/dbraw/zinc/60/05/83/534600583.db2.gz BWVBQYIDHNMXSW-MMWGEVLESA-N 1 0 239.319 0.319 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N(CC[NH+](C)C)C1CC1 ZINC000355817253 534621821 /nfs/dbraw/zinc/62/18/21/534621821.db2.gz HRXIVXBKIXTEHR-CYBMUJFWSA-N 1 0 240.347 0.866 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N(CCC#N)CCC#N ZINC000264976802 536366796 /nfs/dbraw/zinc/36/67/96/536366796.db2.gz IOZKJHZWLIVCTM-LLVKDONJSA-N 1 0 234.303 0.737 20 30 BCEDRO C=CCCCC(=O)NCCCN1CC[NH2+]CC1 ZINC000178335281 534657561 /nfs/dbraw/zinc/65/75/61/534657561.db2.gz YENWRJAFOHTWME-UHFFFAOYSA-N 1 0 239.363 0.754 20 30 BCEDRO C=CCCCC(=O)NC[C@@H]1C[NH2+]C[C@H]1O ZINC000344622218 534659745 /nfs/dbraw/zinc/65/97/45/534659745.db2.gz AUEHYFPEJQSIKI-VHSXEESVSA-N 1 0 212.293 0.039 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@@H]1CCC[N@@H+](CC)C1 ZINC000358536652 534678471 /nfs/dbraw/zinc/67/84/71/534678471.db2.gz NOQQFBUDXRFUSL-GHMZBOCLSA-N 1 0 241.335 0.317 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCC[C@@H](S(C)(=O)=O)C1 ZINC000353562665 534684977 /nfs/dbraw/zinc/68/49/77/534684977.db2.gz BMAMLMKMFSBWFJ-OUAUKWLOSA-N 1 0 247.360 0.479 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1CCC[NH2+]C1 ZINC000335605531 534706895 /nfs/dbraw/zinc/70/68/95/534706895.db2.gz IOPWXTYAISCVFF-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO CC#CC[NH+]1CCC(CNS(C)(=O)=O)CC1 ZINC000352243186 534709566 /nfs/dbraw/zinc/70/95/66/534709566.db2.gz YFHDVDMRFGURSR-UHFFFAOYSA-N 1 0 244.360 0.271 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000371266230 534714289 /nfs/dbraw/zinc/71/42/89/534714289.db2.gz KKKIGNPCRJXIGI-NEPJUHHUSA-N 1 0 235.331 0.936 20 30 BCEDRO CC#CCNC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000342433206 534714708 /nfs/dbraw/zinc/71/47/08/534714708.db2.gz QHYASHDCHCBNJM-ZYHUDNBSSA-N 1 0 235.331 0.792 20 30 BCEDRO CC(C)(C)OC(=O)CNC(=[NH2+])NC1CC1 ZINC000262312678 534725529 /nfs/dbraw/zinc/72/55/29/534725529.db2.gz SVZCMYUFJQIJHB-UHFFFAOYSA-N 1 0 213.281 0.395 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000120603956 534784688 /nfs/dbraw/zinc/78/46/88/534784688.db2.gz CKTKZQJEBQKDDE-NSHDSACASA-N 1 0 246.376 0.776 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]2CC[NH2+][C@H]2C1 ZINC000373884897 534784855 /nfs/dbraw/zinc/78/48/55/534784855.db2.gz FNZOTPWDBTUJKR-QWRGUYRKSA-N 1 0 244.360 0.576 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]([C@@H](C)[NH3+])C1 ZINC000261545047 534785680 /nfs/dbraw/zinc/78/56/80/534785680.db2.gz JMTZRBSCJNUKNE-NXEZZACHSA-N 1 0 232.349 0.561 20 30 BCEDRO C=CC[NH+](CC=C)CCCS(=O)(=O)NC ZINC000114723962 534827418 /nfs/dbraw/zinc/82/74/18/534827418.db2.gz CVXDQVIYEVQLEV-UHFFFAOYSA-N 1 0 232.349 0.600 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@](C)(O)C(F)(F)F ZINC000270519083 534843942 /nfs/dbraw/zinc/84/39/42/534843942.db2.gz ZQYVAHDNXVRWMB-SSDOTTSWSA-N 1 0 225.214 0.390 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@](C)(O)C(F)(F)F ZINC000270519084 534843772 /nfs/dbraw/zinc/84/37/72/534843772.db2.gz ZQYVAHDNXVRWMB-ZETCQYMHSA-N 1 0 225.214 0.390 20 30 BCEDRO C=CCNC(=[NH2+])NCC(C)(C)N1CCOCC1 ZINC000261890555 534843172 /nfs/dbraw/zinc/84/31/72/534843172.db2.gz TVSBGQDBPDSYIS-UHFFFAOYSA-N 1 0 240.351 0.188 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC(=C)C ZINC000181258898 534862276 /nfs/dbraw/zinc/86/22/76/534862276.db2.gz FQYIGRIFHRXDOJ-SNVBAGLBSA-N 1 0 239.319 0.895 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@@H](C)[N@H+](C)CC=C ZINC000121568880 534862526 /nfs/dbraw/zinc/86/25/26/534862526.db2.gz VSFFPRMKVHKVEL-SECBINFHSA-N 1 0 225.292 0.505 20 30 BCEDRO C=CCOCC(=O)NCCC[NH+]1CCCC1 ZINC000354324178 534869459 /nfs/dbraw/zinc/86/94/59/534869459.db2.gz LMYPPPRBPWJUKA-UHFFFAOYSA-N 1 0 226.320 0.791 20 30 BCEDRO C=CCOCC(=O)N[C@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000342478275 534870557 /nfs/dbraw/zinc/87/05/57/534870557.db2.gz RDVMXOPDIJSHBG-PWSUYJOCSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCOCCCC(=O)N1CCC[C@H]1C[NH3+] ZINC000237939454 534872409 /nfs/dbraw/zinc/87/24/09/534872409.db2.gz PESOKLZRJHUXCV-NSHDSACASA-N 1 0 226.320 0.919 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@H](C)C[C@@H]1C(N)=O ZINC000339100382 534879328 /nfs/dbraw/zinc/87/93/28/534879328.db2.gz YHSPJABJYYXTMB-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO CCC[N@@H+]1CCC[C@H]1C(=O)N[C@H](C)C#N ZINC000340435299 534900727 /nfs/dbraw/zinc/90/07/27/534900727.db2.gz QBOCHYVZTLMPQZ-ZJUUUORDSA-N 1 0 209.293 0.889 20 30 BCEDRO CC#CCC[N@@H+]1CCN2C(=O)OCC[C@@H]2C1 ZINC000495405095 526309291 /nfs/dbraw/zinc/30/92/91/526309291.db2.gz YJNBKVFBJINPGI-LLVKDONJSA-N 1 0 222.288 0.926 20 30 BCEDRO CNC(NCCCNC(=O)OC(C)(C)C)=[NH+]C ZINC000303412443 526344589 /nfs/dbraw/zinc/34/45/89/526344589.db2.gz YFZCXOQPHOHHJX-UHFFFAOYSA-N 1 0 244.339 0.696 20 30 BCEDRO CC#CC[NH+]1CCC2(COC(=O)N2)CC1 ZINC000495538011 526362807 /nfs/dbraw/zinc/36/28/07/526362807.db2.gz LFBSSSMSULLYEF-UHFFFAOYSA-N 1 0 208.261 0.584 20 30 BCEDRO C=CC[NH+]1CCC(OCCC(=O)NC)CC1 ZINC000494974562 526454775 /nfs/dbraw/zinc/45/47/75/526454775.db2.gz NANVDHSZXSURCN-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@H](OC)C12CCC2 ZINC000308346662 526575334 /nfs/dbraw/zinc/57/53/34/526575334.db2.gz PPTDWBFJHOUCGW-QWRGUYRKSA-N 1 0 238.331 0.836 20 30 BCEDRO C#CC(C)(C)[N@H+](C)C[C@H]1CCCNC1=O ZINC000491623097 526655080 /nfs/dbraw/zinc/65/50/80/526655080.db2.gz FSQZNSZCHKLIEC-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCCOC(=O)C1CC[NH+](CC#C)CC1 ZINC000491045129 526737055 /nfs/dbraw/zinc/73/70/55/526737055.db2.gz JNIMQYJNHVVDBZ-UHFFFAOYSA-N 1 0 219.284 0.898 20 30 BCEDRO C=CCOCCC[N@@H+]1CCN2C(=O)OC[C@@H]2C1 ZINC000495512812 526757700 /nfs/dbraw/zinc/75/77/00/526757700.db2.gz QSBMHCKYWWODMH-NSHDSACASA-N 1 0 240.303 0.716 20 30 BCEDRO C#CCN(C(=O)N[C@@H](C)C[C@H](C)[NH3+])C1CC1 ZINC000491483307 526771358 /nfs/dbraw/zinc/77/13/58/526771358.db2.gz AXWNLXPBOZJXBA-UWVGGRQHSA-N 1 0 223.320 0.919 20 30 BCEDRO C#CCN(C(=O)N[C@H]1CCC[NH2+]C1)C1CC1 ZINC000491710627 526774390 /nfs/dbraw/zinc/77/43/90/526774390.db2.gz USYDPFDFWTZNKN-JTQLQIEISA-N 1 0 221.304 0.546 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000491704711 526794414 /nfs/dbraw/zinc/79/44/14/526794414.db2.gz PGELQIPFXSJIOJ-NXEZZACHSA-N 1 0 209.293 0.259 20 30 BCEDRO C#CCN(C)C(=O)N[C@H](C[NH3+])C1CCCC1 ZINC000491785527 526795402 /nfs/dbraw/zinc/79/54/02/526795402.db2.gz SKJHQQUHFVNSIB-LLVKDONJSA-N 1 0 223.320 0.779 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000491408877 526855703 /nfs/dbraw/zinc/85/57/03/526855703.db2.gz XJHJLNDFMGHUPA-CYBMUJFWSA-N 1 0 247.342 0.797 20 30 BCEDRO C#CCN(CC)C(=S)NC1CC[NH+](C)CC1 ZINC000490574472 526895714 /nfs/dbraw/zinc/89/57/14/526895714.db2.gz YHRVJOGPUAIESA-UHFFFAOYSA-N 1 0 239.388 0.910 20 30 BCEDRO C#CC[N@@H+](C[C@@](C)(O)C(=O)OC)C1CC1 ZINC000491309254 526902662 /nfs/dbraw/zinc/90/26/62/526902662.db2.gz YDSSVDAKRXIQHK-LLVKDONJSA-N 1 0 211.261 0.008 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([NH2+]C(C)(C)C)C1=O ZINC000491773328 526914492 /nfs/dbraw/zinc/91/44/92/526914492.db2.gz VOPGINYVRZIKDY-MRVPVSSYSA-N 1 0 208.261 0.135 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCC(C)(C)O)CC1 ZINC000174825303 526924751 /nfs/dbraw/zinc/92/47/51/526924751.db2.gz UZEJQKQDMPOBDV-UHFFFAOYSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCO[C@@](C)(CC)C1 ZINC000491067338 526978119 /nfs/dbraw/zinc/97/81/19/526978119.db2.gz HQXKMSDAAZIMHT-ZDUSSCGKSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](CO)[C@@H]1CC ZINC000491661340 526978376 /nfs/dbraw/zinc/97/83/76/526978376.db2.gz KPPXKUOMBBUTRL-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1(CO)CCCC1 ZINC000491712446 526982077 /nfs/dbraw/zinc/98/20/77/526982077.db2.gz ZQMPNSPLCVCHAR-UHFFFAOYSA-N 1 0 238.331 0.268 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)Cc1cnn(C)c1 ZINC000491209092 526985218 /nfs/dbraw/zinc/98/52/18/526985218.db2.gz BOPLPSQSDHCPNA-NSHDSACASA-N 1 0 248.330 0.080 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H]2C[C@H]2C1 ZINC000491451612 526986198 /nfs/dbraw/zinc/98/61/98/526986198.db2.gz GUEZPFLIIUMEAE-JGPRNRPPSA-N 1 0 206.289 0.514 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@@H]1F ZINC000491620073 526986351 /nfs/dbraw/zinc/98/63/51/526986351.db2.gz FOLGSWWSWNVDQK-VHSXEESVSA-N 1 0 212.268 0.606 20 30 BCEDRO C#CCNC(=O)N(CC[NH3+])CCc1ccccc1 ZINC000491381864 527005850 /nfs/dbraw/zinc/00/58/50/527005850.db2.gz GQLVGATYWVXFNS-UHFFFAOYSA-N 1 0 245.326 0.833 20 30 BCEDRO C#CCNC(=O)N(CCC)[C@H]1CC[NH2+]C1 ZINC000491307096 527006286 /nfs/dbraw/zinc/00/62/86/527006286.db2.gz OZHOBJLSXFAVPQ-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C#CCNC(=O)NC[C@H]1[NH2+]C(C)(C)O[C@@H]1C ZINC000491451106 527012148 /nfs/dbraw/zinc/01/21/48/527012148.db2.gz DMKNTQGFGQWXDK-RKDXNWHRSA-N 1 0 225.292 0.032 20 30 BCEDRO C#CCNC(=O)N[C@@H](C)C[NH+](CC)CC ZINC000490590140 527013691 /nfs/dbraw/zinc/01/36/91/527013691.db2.gz PKCNCECWRYIMKM-JTQLQIEISA-N 1 0 211.309 0.649 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000305296644 527024369 /nfs/dbraw/zinc/02/43/69/527024369.db2.gz GOJROSZOWYKXKM-QJPTWQEYSA-N 1 0 238.331 0.217 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+]1CCS[C@@H](CC)C1 ZINC000174364901 527028935 /nfs/dbraw/zinc/02/89/35/527028935.db2.gz ULTINYHEZZVEDH-QWRGUYRKSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@]1(C)CCO[C@H]1C ZINC000300366235 527030271 /nfs/dbraw/zinc/03/02/71/527030271.db2.gz KQROOBFMKVDQKG-NHCYSSNCSA-N 1 0 224.304 0.281 20 30 BCEDRO C#C[C@@H](C)N(C)C(=S)NC1CC[NH+](C)CC1 ZINC000491671014 527211164 /nfs/dbraw/zinc/21/11/64/527211164.db2.gz RKODUZJNIKJCLN-SNVBAGLBSA-N 1 0 239.388 0.909 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000491505412 527254332 /nfs/dbraw/zinc/25/43/32/527254332.db2.gz LWADVNAKHDWHNF-QWRGUYRKSA-N 1 0 223.320 0.840 20 30 BCEDRO C=CCCN(C)C(=O)NCCOCC[NH+](C)C ZINC000471664320 527309141 /nfs/dbraw/zinc/30/91/41/527309141.db2.gz UZRJQMOJMAGGCH-UHFFFAOYSA-N 1 0 243.351 0.782 20 30 BCEDRO C=CCCN(C)C(=O)N[C@H]1CCC[NH2+]C1 ZINC000418377156 527311935 /nfs/dbraw/zinc/31/19/35/527311935.db2.gz HAYCJJPWRBODRG-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H](C)CC[NH+](C)C ZINC000491757709 527323668 /nfs/dbraw/zinc/32/36/68/527323668.db2.gz FKKQLOHWDSZMHE-MNOVXSKESA-N 1 0 225.336 0.990 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@H](O)Cn1cccn1 ZINC000491325975 527332609 /nfs/dbraw/zinc/33/26/09/527332609.db2.gz IVXFQOGGPAJRQW-QWRGUYRKSA-N 1 0 207.277 0.198 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NCCC[NH2+]C ZINC000491689085 527369854 /nfs/dbraw/zinc/36/98/54/527369854.db2.gz GIODNDPZVHZAOU-SNVBAGLBSA-N 1 0 211.309 0.697 20 30 BCEDRO C#C[C@H](NC(=O)N(C)[C@H](C)C[NH3+])C(C)C ZINC000491785918 527385058 /nfs/dbraw/zinc/38/50/58/527385058.db2.gz VQTXLCIVQOKFBS-ZJUUUORDSA-N 1 0 211.309 0.633 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@@H]([NH3+])C1)C(C)C ZINC000491759725 527388758 /nfs/dbraw/zinc/38/87/58/527388758.db2.gz ODFFYKUKZPCBQH-ZJUUUORDSA-N 1 0 209.293 0.387 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@@H]2C1)C(C)C ZINC000491753668 527388959 /nfs/dbraw/zinc/38/89/59/527388959.db2.gz OXCBAQVDZYRPEK-XQQFMLRXSA-N 1 0 249.358 0.895 20 30 BCEDRO C#C[C@H](NC(=O)NCC1=CC[NH2+]CC1)C(C)C ZINC000491788117 527391286 /nfs/dbraw/zinc/39/12/86/527391286.db2.gz RWTFLSOTXUDYMS-LBPRGKRZSA-N 1 0 235.331 0.863 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H](C)[C@@H](C)[NH3+])C(C)C ZINC000491791814 527395736 /nfs/dbraw/zinc/39/57/36/527395736.db2.gz BVTFSKACUIRSLN-UTLUCORTSA-N 1 0 211.309 0.679 20 30 BCEDRO C#C[C@H](NC(=O)N[C@@H]1CCC[NH2+]C1)C(C)C ZINC000491627982 527396652 /nfs/dbraw/zinc/39/66/52/527396652.db2.gz KHVIVQFMTNQYJL-MNOVXSKESA-N 1 0 223.320 0.695 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)/C=C/C[NH+](C)C ZINC000493653342 527427222 /nfs/dbraw/zinc/42/72/22/527427222.db2.gz OGTFXDASCZFWMO-IOCXFXADSA-N 1 0 226.320 0.548 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@@H](OC)[C@@H](OC)C1 ZINC000487999734 527457433 /nfs/dbraw/zinc/45/74/33/527457433.db2.gz BXEKUKVEUAIVPK-UTUOFQBUSA-N 1 0 229.320 0.659 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)/C=C\C[NH+](C)C ZINC000493653340 527468026 /nfs/dbraw/zinc/46/80/26/527468026.db2.gz OGTFXDASCZFWMO-BPOWMSRESA-N 1 0 226.320 0.548 20 30 BCEDRO CC[N@H+](CC(=O)N[C@@H](C#N)C1CC1)C1CC1 ZINC000505917575 527915059 /nfs/dbraw/zinc/91/50/59/527915059.db2.gz RWTGEDGPLLSOCH-NSHDSACASA-N 1 0 221.304 0.889 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccnc(C)n1 ZINC000170909420 536520577 /nfs/dbraw/zinc/52/05/77/536520577.db2.gz UBINUXQQAXSAGV-MRVPVSSYSA-N 1 0 237.307 0.224 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)[C@@H]1C[N@H+](C)C[C@H]1C ZINC000487210581 528344800 /nfs/dbraw/zinc/34/48/00/528344800.db2.gz USFPXGFFJIDQOR-GMTAPVOTSA-N 1 0 223.320 0.848 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)[C@H]1C[N@H+](C)C[C@H]1C ZINC000487210583 528346280 /nfs/dbraw/zinc/34/62/80/528346280.db2.gz USFPXGFFJIDQOR-OUAUKWLOSA-N 1 0 223.320 0.848 20 30 BCEDRO CC1(C)NC(=O)CC[C@H]1[NH2+]CCCC#N ZINC000309107890 534971319 /nfs/dbraw/zinc/97/13/19/534971319.db2.gz IQFKJZSCESHPFQ-SECBINFHSA-N 1 0 209.293 0.937 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N[C@@]1(C#N)CCOC1 ZINC000358478644 535001838 /nfs/dbraw/zinc/00/18/38/535001838.db2.gz SNWMTKZMCSWBMI-LLVKDONJSA-N 1 0 225.292 0.125 20 30 BCEDRO CC(C)(CO)CCCNC1=[NH+]CCCN1 ZINC000360297395 535158659 /nfs/dbraw/zinc/15/86/59/535158659.db2.gz WNWMMTHQOLXPBJ-UHFFFAOYSA-N 1 0 213.325 0.724 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)CC#N)CC[N@@H+]1C ZINC000336090790 535212130 /nfs/dbraw/zinc/21/21/30/535212130.db2.gz SDHBCXHDVOMLFR-SNVBAGLBSA-N 1 0 209.293 0.699 20 30 BCEDRO CC[C@@H](C(=O)N(C)C[C@@H](C)C#N)[NH+](C)C ZINC000338200884 535397274 /nfs/dbraw/zinc/39/72/74/535397274.db2.gz DTOBXJJWCSHYQV-UWVGGRQHSA-N 1 0 211.309 0.945 20 30 BCEDRO CCNC(=[NH2+])NCc1ccc(OC)cn1 ZINC000278346644 535423981 /nfs/dbraw/zinc/42/39/81/535423981.db2.gz VMLXNTSFEUGIIC-UHFFFAOYSA-N 1 0 208.265 0.514 20 30 BCEDRO CCOc1ncccc1CNC1=[NH+]CCN1C ZINC000262201830 535589263 /nfs/dbraw/zinc/58/92/63/535589263.db2.gz AWJGWQNFHCOPBB-UHFFFAOYSA-N 1 0 234.303 0.871 20 30 BCEDRO CCOC[C@@H](O)C[NH+]1CCC(F)(C#N)CC1 ZINC000352458085 535671336 /nfs/dbraw/zinc/67/13/36/535671336.db2.gz GMXOAOSKARAQAO-JTQLQIEISA-N 1 0 230.283 0.711 20 30 BCEDRO CC[C@](C)(O)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262424674 535842381 /nfs/dbraw/zinc/84/23/81/535842381.db2.gz CEQQJBPLXYGWSY-KOLCDFICSA-N 1 0 229.324 0.183 20 30 BCEDRO C[NH+](C)CCOCCNC(=O)CCCC#N ZINC000360771659 535896795 /nfs/dbraw/zinc/89/67/95/535896795.db2.gz YCJCQLBLYPELNS-UHFFFAOYSA-N 1 0 227.308 0.375 20 30 BCEDRO CC[C@@](C)(C#N)C(=O)NCCNc1cc[nH+]cc1 ZINC000351963236 535971813 /nfs/dbraw/zinc/97/18/13/535971813.db2.gz GNINULCGGLPGCK-ZDUSSCGKSA-N 1 0 246.314 0.971 20 30 BCEDRO C[N@H+](CCC(C)(C)C#N)[C@H]1COC[C@H]1O ZINC000352799175 536314563 /nfs/dbraw/zinc/31/45/63/536314563.db2.gz FOAOTSCCQCFZAP-VHSXEESVSA-N 1 0 212.293 0.618 20 30 BCEDRO COC1(CNC(=[NH2+])N2CCC2)CCCC1 ZINC000263211052 536592565 /nfs/dbraw/zinc/59/25/65/536592565.db2.gz YZXRXWRHPVNTDQ-UHFFFAOYSA-N 1 0 211.309 0.966 20 30 BCEDRO COC1(CNC2=[NH+]C[C@@H](C)N2)CCCC1 ZINC000261528266 536593222 /nfs/dbraw/zinc/59/32/22/536593222.db2.gz LHEPHISOKZSDII-SECBINFHSA-N 1 0 211.309 0.883 20 30 BCEDRO COC1(CCNC2=[NH+]CCN2C)CCC1 ZINC000261553281 536606802 /nfs/dbraw/zinc/60/68/02/536606802.db2.gz NSIBCKNQNCNMGL-UHFFFAOYSA-N 1 0 211.309 0.837 20 30 BCEDRO COC(=O)c1ccc(CNC2=[NH+]C[C@H](C)N2)o1 ZINC000262654892 536644595 /nfs/dbraw/zinc/64/45/95/536644595.db2.gz LHLHYEMFXZOOLW-ZETCQYMHSA-N 1 0 237.259 0.504 20 30 BCEDRO COCCNC(=[NH2+])N[C@H]1C[C@@H](OC)C1(C)C ZINC000262797033 536852718 /nfs/dbraw/zinc/85/27/18/536852718.db2.gz LXLFCQVAZRNEOD-DTWKUNHWSA-N 1 0 229.324 0.351 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1[C@@H]2CCO[C@@H]2C1(C)C ZINC000262514494 536853333 /nfs/dbraw/zinc/85/33/33/536853333.db2.gz FPXWPQMGKXKXRY-AEJSXWLSSA-N 1 0 241.335 0.351 20 30 BCEDRO COc1ccc([N+](=O)[O-])cc1CNC(N)=[NH2+] ZINC000303252020 536951650 /nfs/dbraw/zinc/95/16/50/536951650.db2.gz AWVZJSBGXVLLQP-UHFFFAOYSA-N 1 0 224.220 0.377 20 30 BCEDRO COc1cccc(CNC(=[NH2+])NC(C)C)n1 ZINC000261990170 537097206 /nfs/dbraw/zinc/09/72/06/537097206.db2.gz LMFRQPBAAAOHQL-UHFFFAOYSA-N 1 0 222.292 0.903 20 30 BCEDRO COc1cccnc1CNC(=[NH2+])N(C)C1CC1 ZINC000263097687 537111745 /nfs/dbraw/zinc/11/17/45/537111745.db2.gz JOFFBPRXGFEABD-UHFFFAOYSA-N 1 0 234.303 0.999 20 30 BCEDRO C=C[C@H](C)[NH2+][C@@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893112517 583051011 /nfs/dbraw/zinc/05/10/11/583051011.db2.gz FFAYEECFTGANHD-LPEHRKFASA-N 1 0 217.334 0.974 20 30 BCEDRO CN1C[C@H]([NH2+]C[C@@H](C#N)CCC#N)CCC1=O ZINC000574962367 566326255 /nfs/dbraw/zinc/32/62/55/566326255.db2.gz QVUDTAKRDNAWQU-GHMZBOCLSA-N 1 0 234.303 0.640 20 30 BCEDRO C#C[C@@H]([NH2+]CCN1CCOC1=O)[C@H]1CCCO1 ZINC000775794821 583104519 /nfs/dbraw/zinc/10/45/19/583104519.db2.gz KIAQQJGCQDUWFS-GHMZBOCLSA-N 1 0 238.287 0.209 20 30 BCEDRO C#C[C@@H]([NH2+]CC1(O)CCC1)C1CCOCC1 ZINC000853115123 588721445 /nfs/dbraw/zinc/72/14/45/588721445.db2.gz DXGMVBNFIIWPMP-GFCCVEGCSA-N 1 0 223.316 0.919 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)COC)C1CCOCC1 ZINC000853117597 588721571 /nfs/dbraw/zinc/72/15/71/588721571.db2.gz XSKDMCYCOZUZKE-NEPJUHHUSA-N 1 0 227.304 0.012 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@H](O)C2)cc1 ZINC000853130904 588721886 /nfs/dbraw/zinc/72/18/86/588721886.db2.gz KSKAMVJMPRPAPB-AVGNSLFASA-N 1 0 232.283 0.705 20 30 BCEDRO NC(=[NH2+])NN=Cc1ccc(O[C@@H]2CCOC2)cc1 ZINC000853286474 588730692 /nfs/dbraw/zinc/73/06/92/588730692.db2.gz ABVVTAWLOKHDCV-LLVKDONJSA-N 1 0 248.286 0.671 20 30 BCEDRO Cn1nc(C(F)(F)F)cc1C=NNC(N)=[NH2+] ZINC000853287668 588730814 /nfs/dbraw/zinc/73/08/14/588730814.db2.gz PKUXJYCPEMAAJS-UHFFFAOYSA-N 1 0 234.185 0.256 20 30 BCEDRO C=CCCn1cc(C=NNC2=[NH+]C[C@@H](C)N2)nn1 ZINC000853330343 588733627 /nfs/dbraw/zinc/73/36/27/588733627.db2.gz MJNYQFOTYSTJFX-SECBINFHSA-N 1 0 247.306 0.125 20 30 BCEDRO C#Cc1cccnc1N1CCC([NH2+]CCO)CC1 ZINC000853462427 588744359 /nfs/dbraw/zinc/74/43/59/588744359.db2.gz UOWULVOEGZSJGM-UHFFFAOYSA-N 1 0 245.326 0.614 20 30 BCEDRO C#Cc1cccnc1N1CC[N@H+](CCO)[C@H](C)C1 ZINC000853486401 588745514 /nfs/dbraw/zinc/74/55/14/588745514.db2.gz WHRLEAWQNGANGF-GFCCVEGCSA-N 1 0 245.326 0.566 20 30 BCEDRO C#C[C@H](CC)NC(=O)NCC1=CC[N@H+](C)CC1 ZINC000854074168 588773366 /nfs/dbraw/zinc/77/33/66/588773366.db2.gz MWOBDTIKPGLVBR-GFCCVEGCSA-N 1 0 235.331 0.959 20 30 BCEDRO C=CCONC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000854118006 588775042 /nfs/dbraw/zinc/77/50/42/588775042.db2.gz LLWXNEZAIBWLKS-SNVBAGLBSA-N 1 0 227.308 0.840 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCC[NH+](CC)CC ZINC000854178942 588778257 /nfs/dbraw/zinc/77/82/57/588778257.db2.gz WTCIWFBWYADNHE-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=CCC[NH2+][C@H]1CCN[C@@H]1C(=O)OCC ZINC000854219121 588780032 /nfs/dbraw/zinc/78/00/32/588780032.db2.gz CZBRWUDYXRWWKN-UWVGGRQHSA-N 1 0 212.293 0.446 20 30 BCEDRO CC(C)C#CC(=O)NCC[NH+]1CCCC1 ZINC000854299094 588783117 /nfs/dbraw/zinc/78/31/17/588783117.db2.gz LAQPMSIPMVETGT-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC(O)(CC)C1 ZINC000854380692 588785414 /nfs/dbraw/zinc/78/54/14/588785414.db2.gz SGHIJPOKKDMCNB-UHFFFAOYSA-N 1 0 212.293 0.088 20 30 BCEDRO C[NH+](C)C[C@H](CO)NC(=O)C#CC(C)(C)C ZINC000854467951 588788904 /nfs/dbraw/zinc/78/89/04/588788904.db2.gz MOVFUUIHOMYLIG-SNVBAGLBSA-N 1 0 226.320 0.075 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000854547499 588792911 /nfs/dbraw/zinc/79/29/11/588792911.db2.gz WOBVOYOUZBWDFR-NWDGAFQWSA-N 1 0 238.331 0.361 20 30 BCEDRO CC(C)C#CC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000854600367 588796653 /nfs/dbraw/zinc/79/66/53/588796653.db2.gz SFQOQLKTSNBDCI-NEPJUHHUSA-N 1 0 220.316 0.808 20 30 BCEDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)C#CC1CC1 ZINC000854650585 588799266 /nfs/dbraw/zinc/79/92/66/588799266.db2.gz CWTNQQZKAHCVEA-CMPLNLGQSA-N 1 0 220.316 0.951 20 30 BCEDRO C=C(CO)C(=O)N1CCC[C@]2(CC[N@@H+](C)C2)C1 ZINC000854734870 588804588 /nfs/dbraw/zinc/80/45/88/588804588.db2.gz FJHRHXLSQXESTG-CYBMUJFWSA-N 1 0 238.331 0.479 20 30 BCEDRO C#Cc1ccc(C(=O)N2CC(C[NH+](C)C)C2)nc1 ZINC000854722780 588804106 /nfs/dbraw/zinc/80/41/06/588804106.db2.gz LEXRSMDGXYXLNF-UHFFFAOYSA-N 1 0 243.310 0.697 20 30 BCEDRO C#CCCCC(=O)NCCN1CC[NH+](C)CC1 ZINC000112936140 588821266 /nfs/dbraw/zinc/82/12/66/588821266.db2.gz IHKCJJXGQFRYBP-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO Cc1[nH]c(C#N)cc1C(=O)NOCC[NH+](C)C ZINC000854946985 588818248 /nfs/dbraw/zinc/81/82/48/588818248.db2.gz DDOIXNATKOUDMF-UHFFFAOYSA-N 1 0 236.275 0.418 20 30 BCEDRO CC#CC(=O)NC[C@H]1CC[N@@H+]1C(C)(C)C ZINC000855165867 588824897 /nfs/dbraw/zinc/82/48/97/588824897.db2.gz ZMIDMMHITARTBI-SNVBAGLBSA-N 1 0 208.305 0.999 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CO)C1CCC1 ZINC000855264174 588826806 /nfs/dbraw/zinc/82/68/06/588826806.db2.gz MHDIWENMNGWIHH-NSHDSACASA-N 1 0 226.320 0.381 20 30 BCEDRO C#C[C@H](CC)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000867772118 582457272 /nfs/dbraw/zinc/45/72/72/582457272.db2.gz MBCGBSYQVDMWQV-GFCCVEGCSA-N 1 0 248.330 0.586 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@H](C)[NH2+]C(C)(C)CC)C1 ZINC000890524978 582465052 /nfs/dbraw/zinc/46/50/52/582465052.db2.gz XSDBVNKCBMBGPY-JTQLQIEISA-N 1 0 238.331 0.360 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@H]2CC[C@H]3CCCC[N@@H+]32)C1 ZINC000890527409 582467017 /nfs/dbraw/zinc/46/70/17/582467017.db2.gz RZSIFLCPQFFDSG-VXGBXAGGSA-N 1 0 248.326 0.210 20 30 BCEDRO C#C[C@@H]1CCCCN1C(=O)[C@@H]1CC[N@@H+](C)C1 ZINC000890650957 582492492 /nfs/dbraw/zinc/49/24/92/582492492.db2.gz UFEJNCRYWGTMJU-VXGBXAGGSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@@H]1CCCCN1C(=O)[C@@H](C)[NH+](C)C ZINC000890657755 582495310 /nfs/dbraw/zinc/49/53/10/582495310.db2.gz WVGSIQAJODEUIN-GHMZBOCLSA-N 1 0 208.305 0.951 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)C(C)C ZINC000300983087 582600438 /nfs/dbraw/zinc/60/04/38/582600438.db2.gz UOFUFHDUVKEQAM-MNOVXSKESA-N 1 0 208.305 0.903 20 30 BCEDRO C#C[C@@H]([NH2+][C@@H]1CCCNC(=O)C1)C(C)C ZINC000300983086 582600458 /nfs/dbraw/zinc/60/04/58/582600458.db2.gz UOFUFHDUVKEQAM-GHMZBOCLSA-N 1 0 208.305 0.903 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCCNC(=O)C1)C(C)C ZINC000300983088 582600471 /nfs/dbraw/zinc/60/04/71/582600471.db2.gz UOFUFHDUVKEQAM-QWRGUYRKSA-N 1 0 208.305 0.903 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1COC[C@H]1C1CC1 ZINC000891047116 582601400 /nfs/dbraw/zinc/60/14/00/582601400.db2.gz OAQNEMSADFYSFG-RYUDHWBXSA-N 1 0 238.331 0.645 20 30 BCEDRO CN(C)c1ccc(C=NNC2=[NH+]CCN2)cc1 ZINC000012340204 582603679 /nfs/dbraw/zinc/60/36/79/582603679.db2.gz MNYUDAUUKWWBLP-UHFFFAOYSA-N 1 0 231.303 0.635 20 30 BCEDRO C#CCNC(=O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000113427466 588839010 /nfs/dbraw/zinc/83/90/10/588839010.db2.gz RABCASCHSMLWDP-CYBMUJFWSA-N 1 0 249.358 0.296 20 30 BCEDRO C#C[C@@H](NC[C@H](O)C[NH+]1CCCC1)C(C)C ZINC000300965213 582621289 /nfs/dbraw/zinc/62/12/89/582621289.db2.gz RLLAFSBMYCQMAF-QWHCGFSZSA-N 1 0 224.348 0.691 20 30 BCEDRO C#CCONC(=O)CC1CC[NH+](C)CC1 ZINC000855606747 588841505 /nfs/dbraw/zinc/84/15/05/588841505.db2.gz PKVNNHDYJHEVRZ-UHFFFAOYSA-N 1 0 210.277 0.399 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@@H]1CC=CCC1 ZINC000846677120 582664015 /nfs/dbraw/zinc/66/40/15/582664015.db2.gz KOTXFKQRUNQZNR-MXWKQRLJSA-N 1 0 219.288 0.570 20 30 BCEDRO CN(CC1C[NH+](C)C1)C(=O)C#CC1CC1 ZINC000855640900 588843029 /nfs/dbraw/zinc/84/30/29/588843029.db2.gz GIDKWKPWDLJKFJ-UHFFFAOYSA-N 1 0 206.289 0.420 20 30 BCEDRO C#CCSCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891589787 582700118 /nfs/dbraw/zinc/70/01/18/582700118.db2.gz RCIABXIYMCNQAP-UWVGGRQHSA-N 1 0 241.360 0.484 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ccc[nH]c1=O ZINC000855692392 588845335 /nfs/dbraw/zinc/84/53/35/588845335.db2.gz JXLRBYXJWQPXMG-UHFFFAOYSA-N 1 0 221.260 0.844 20 30 BCEDRO C#CCCCCNC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891672800 582708386 /nfs/dbraw/zinc/70/83/86/582708386.db2.gz SDELSYXOXVVVJK-GHMZBOCLSA-N 1 0 223.320 0.921 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891683078 582709906 /nfs/dbraw/zinc/70/99/06/582709906.db2.gz QHOROMCHMMZXPO-PHIMTYICSA-N 1 0 241.335 0.616 20 30 BCEDRO C=C(C)COCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891683066 582710288 /nfs/dbraw/zinc/71/02/88/582710288.db2.gz QEJPUWIFTPYWKO-MNOVXSKESA-N 1 0 241.335 0.710 20 30 BCEDRO C=CCCOCCNC(=O)N1C[C@@H]([NH3+])C[C@@H]1C ZINC000891717805 582714123 /nfs/dbraw/zinc/71/41/23/582714123.db2.gz CFPUZRZIWSEVKM-QWRGUYRKSA-N 1 0 241.335 0.710 20 30 BCEDRO C=CCOCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891765469 582718152 /nfs/dbraw/zinc/71/81/52/582718152.db2.gz RCNDEAUZSKZMQG-ZJUUUORDSA-N 1 0 227.308 0.320 20 30 BCEDRO CCN(C(=O)NCCCC#N)[C@H]1CC[NH2+]C1 ZINC000891770193 582718538 /nfs/dbraw/zinc/71/85/38/582718538.db2.gz VEVZYAMTXIWMBC-JTQLQIEISA-N 1 0 224.308 0.684 20 30 BCEDRO N#CCCCNC(=O)N[C@@]12CCC[C@H]1[NH2+]CC2 ZINC000891770548 582718553 /nfs/dbraw/zinc/71/85/53/582718553.db2.gz ZZPMJPKVTLHJNL-ZYHUDNBSSA-N 1 0 236.319 0.874 20 30 BCEDRO N#CCCCNC(=O)N1CCC[C@H]2[NH2+]CC[C@H]21 ZINC000891769865 582718734 /nfs/dbraw/zinc/71/87/34/582718734.db2.gz RWYHAIOXVSPETA-GHMZBOCLSA-N 1 0 236.319 0.826 20 30 BCEDRO N#CCCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891769830 582718769 /nfs/dbraw/zinc/71/87/69/582718769.db2.gz QVQDHRGXTSQVCP-DTORHVGOSA-N 1 0 210.281 0.327 20 30 BCEDRO CC#CCCNC(=O)NCCC(C)(C)[NH3+] ZINC000891815107 582725865 /nfs/dbraw/zinc/72/58/65/582725865.db2.gz XWJBUGZYUZZQEJ-UHFFFAOYSA-N 1 0 211.309 0.826 20 30 BCEDRO C#CCCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891848511 582729444 /nfs/dbraw/zinc/72/94/44/582729444.db2.gz MPROTYFDBXOEIG-AOOOYVTPSA-N 1 0 209.293 0.436 20 30 BCEDRO C#CCCCNC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000891849121 582729531 /nfs/dbraw/zinc/72/95/31/582729531.db2.gz UZONJTYXWVMHMK-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2ccc(O)c(F)c2)N1 ZINC000779791641 582730769 /nfs/dbraw/zinc/73/07/69/582730769.db2.gz DNWXRWFMOYBZFS-ZETCQYMHSA-N 1 0 236.250 0.803 20 30 BCEDRO Cc1ccc(O)c(C=NNC2=[NH+]C[C@H](C)N2)n1 ZINC000779792282 582730779 /nfs/dbraw/zinc/73/07/79/582730779.db2.gz KMTXPYCJIVMJPO-QMMMGPOBSA-N 1 0 233.275 0.367 20 30 BCEDRO C#C[C@@H](NC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1)C(C)C ZINC000891904582 582736379 /nfs/dbraw/zinc/73/63/79/582736379.db2.gz KZBACPZUDVDDSQ-OUCADQQQSA-N 1 0 249.358 0.895 20 30 BCEDRO CN(CCc1cccc(C#N)c1)C(=O)NCC[NH3+] ZINC000891977391 582751080 /nfs/dbraw/zinc/75/10/80/582751080.db2.gz VWTNILFCIPFMAI-UHFFFAOYSA-N 1 0 246.314 0.701 20 30 BCEDRO C[C@@H](O)CNN=C1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848409664 582766714 /nfs/dbraw/zinc/76/67/14/582766714.db2.gz CJYMBHDHLJVNJP-PWSUYJOCSA-N 1 0 225.336 0.961 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@@H]1CC[N@@H+](CCC)C1 ZINC000856073384 588859506 /nfs/dbraw/zinc/85/95/06/588859506.db2.gz OLEQZMQBCWZNFE-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C(CO)C(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000856073778 588859628 /nfs/dbraw/zinc/85/96/28/588859628.db2.gz WVHFCRPUYXBIIO-JTQLQIEISA-N 1 0 212.293 0.135 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892569320 582916257 /nfs/dbraw/zinc/91/62/57/582916257.db2.gz ATZZFWGCMOPBHJ-GUBZILKMSA-N 1 0 209.293 0.387 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H]2COC[C@@H]2C1 ZINC000856146533 588862651 /nfs/dbraw/zinc/86/26/51/588862651.db2.gz HKXVTBOKKRACFR-RYUDHWBXSA-N 1 0 238.331 0.599 20 30 BCEDRO C=CCOCCNc1cc[nH+]cc1C(N)=O ZINC000393802252 582925884 /nfs/dbraw/zinc/92/58/84/582925884.db2.gz TWMKPOUGWDEUKD-UHFFFAOYSA-N 1 0 221.260 0.217 20 30 BCEDRO CNC(=S)N(C)N=C1CC[N@H+](C)[C@H](C)C1 ZINC000841647873 582965070 /nfs/dbraw/zinc/96/50/70/582965070.db2.gz MDGFOIZNRCDBGC-MRVPVSSYSA-N 1 0 228.365 0.893 20 30 BCEDRO C#CCOCC[NH+]1CCC(N(C)C(C)=O)CC1 ZINC000851740216 582965206 /nfs/dbraw/zinc/96/52/06/582965206.db2.gz OCJJPIVYMTUWTO-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCCN(CCOC)C(=O)[C@H](C)[NH+](C)C ZINC000856388905 588871165 /nfs/dbraw/zinc/87/11/65/588871165.db2.gz SKUVWGYLUOGZNK-NSHDSACASA-N 1 0 226.320 0.435 20 30 BCEDRO C[C@@H](O)CN(C)N=C1C[NH+]2CCC1CC2 ZINC000841649560 583011374 /nfs/dbraw/zinc/01/13/74/583011374.db2.gz CYKRXMDVCYIQSR-SECBINFHSA-N 1 0 211.309 0.381 20 30 BCEDRO C#CC(=O)NCC1CC[NH+](CC2CC2)CC1 ZINC000856413612 588872150 /nfs/dbraw/zinc/87/21/50/588872150.db2.gz NKDSAXZDCWVRQY-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO CC#CC(=O)N1CCO[C@H](CCC[NH+](C)C)C1 ZINC000856429685 588872494 /nfs/dbraw/zinc/87/24/94/588872494.db2.gz IVHIKLLJYFDNSI-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCOCCF ZINC000856472703 588873335 /nfs/dbraw/zinc/87/33/35/588873335.db2.gz FKDLFEOAPBAJIN-UHFFFAOYSA-N 1 0 218.272 0.207 20 30 BCEDRO C#CCOCCC(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000856488908 588873889 /nfs/dbraw/zinc/87/38/89/588873889.db2.gz HEUKRMMMJXPXFP-GFCCVEGCSA-N 1 0 238.331 0.483 20 30 BCEDRO C[C@H]1C[C@@H](C(=O)Nc2c[nH]nc2C#N)CC[N@@H+]1C ZINC000893086598 583046587 /nfs/dbraw/zinc/04/65/87/583046587.db2.gz ZSQOWGPCGVYWOJ-IUCAKERBSA-N 1 0 247.302 0.950 20 30 BCEDRO C=C[C@H](C)[NH2+][C@H](C)[C@@H]1CCS(=O)(=O)C1 ZINC000893112516 583050864 /nfs/dbraw/zinc/05/08/64/583050864.db2.gz FFAYEECFTGANHD-IVZWLZJFSA-N 1 0 217.334 0.974 20 30 BCEDRO C#C[C@H]([NH2+]CCn1ccccc1=O)[C@H]1CCCO1 ZINC000775792007 583104496 /nfs/dbraw/zinc/10/44/96/583104496.db2.gz PNGSUVCXERFBJB-QWHCGFSZSA-N 1 0 246.310 0.619 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+](C[C@H]2CNC(=O)C2)C1 ZINC000595623207 583150511 /nfs/dbraw/zinc/15/05/11/583150511.db2.gz JWYZPIAHOXGTCD-GHMZBOCLSA-N 1 0 221.304 0.748 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)COCCOC ZINC000893568390 583165522 /nfs/dbraw/zinc/16/55/22/583165522.db2.gz UXJDZQYLEBAAMK-QWRGUYRKSA-N 1 0 217.309 0.565 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H]1COC(C)(C)O1)[C@@H]1CCCO1 ZINC000893674817 583194057 /nfs/dbraw/zinc/19/40/57/583194057.db2.gz ADGAQTTZJCACOT-TUAOUCFPSA-N 1 0 239.315 0.908 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)COCCOC)[C@H]1CCCO1 ZINC000893677216 583195107 /nfs/dbraw/zinc/19/51/07/583195107.db2.gz QVDWUSBDUULHCU-RWMBFGLXSA-N 1 0 241.331 0.808 20 30 BCEDRO C#Cc1ccc(C[N@@H+]2CC[C@@H](O)[C@H](CO)C2)cc1 ZINC000840975603 583212123 /nfs/dbraw/zinc/21/21/23/583212123.db2.gz PHNUFHFSFDUHPG-LSDHHAIUSA-N 1 0 245.322 0.843 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)[C@@H](C)CC#N ZINC000893871982 583238098 /nfs/dbraw/zinc/23/80/98/583238098.db2.gz JMOFNTWPAMGZGG-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(c3ccc(C#N)nn3)[C@H]2C1 ZINC000893934131 583252286 /nfs/dbraw/zinc/25/22/86/583252286.db2.gz FODGAIZMCCUBDH-KOLCDFICSA-N 1 0 229.287 0.489 20 30 BCEDRO C[N@H+]1C[C@H]2[C@@H](CCN2c2cc(C#N)ncn2)C1 ZINC000893942175 583255910 /nfs/dbraw/zinc/25/59/10/583255910.db2.gz ZMKMGKBMTDDPTD-ONGXEEELSA-N 1 0 229.287 0.489 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)NCC[C@H](C)[NH3+] ZINC000857111278 588889336 /nfs/dbraw/zinc/88/93/36/588889336.db2.gz IHRCDQFEGXEGPI-VHSXEESVSA-N 1 0 229.324 0.208 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[N@H+]1CCC[C@H]1C ZINC000857182631 588891593 /nfs/dbraw/zinc/89/15/93/588891593.db2.gz ZCCSKUYONYHUAI-PWSUYJOCSA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@@H]21 ZINC000894107570 583307334 /nfs/dbraw/zinc/30/73/34/583307334.db2.gz FSPGZSYUOZHSJQ-MXWKQRLJSA-N 1 0 236.319 0.492 20 30 BCEDRO CCOc1cncc(C=NNC2=[NH+]C[C@H](C)N2)c1 ZINC000857211367 588893523 /nfs/dbraw/zinc/89/35/23/588893523.db2.gz HJCMJUHLEJYYFH-VIFPVBQESA-N 1 0 247.302 0.752 20 30 BCEDRO CC[N@H+](CCC(=O)N(C)OC)C[C@H](C)C#N ZINC000788011537 583360147 /nfs/dbraw/zinc/36/01/47/583360147.db2.gz ALKVUWDZEUAYPR-SNVBAGLBSA-N 1 0 227.308 0.878 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857243085 588900902 /nfs/dbraw/zinc/90/09/02/588900902.db2.gz VPXBBEUJNAHHKR-RYUDHWBXSA-N 1 0 238.331 0.651 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857243083 588900993 /nfs/dbraw/zinc/90/09/93/588900993.db2.gz VPXBBEUJNAHHKR-NEPJUHHUSA-N 1 0 238.331 0.651 20 30 BCEDRO C#C[C@@H](C)N(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878516166 583378339 /nfs/dbraw/zinc/37/83/39/583378339.db2.gz AAVWCOQLUVYHHG-LLVKDONJSA-N 1 0 237.347 0.150 20 30 BCEDRO CC1(C)COC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000894234248 583385993 /nfs/dbraw/zinc/38/59/93/583385993.db2.gz VEEOLTBXIQUDFE-LBPRGKRZSA-N 1 0 237.347 0.989 20 30 BCEDRO C=CCn1cc(CNc2cc[nH+]cc2CO)nn1 ZINC000894270111 583402562 /nfs/dbraw/zinc/40/25/62/583402562.db2.gz BQXVFPZPDBQRTO-UHFFFAOYSA-N 1 0 245.286 0.385 20 30 BCEDRO C=C[C@](C)(O)CC(=O)NC1CC([NH+](C)C)C1 ZINC000857228521 588896245 /nfs/dbraw/zinc/89/62/45/588896245.db2.gz OUSYKCYLOGXMBQ-CBINBANVSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCN(c2nncn2C)CC1 ZINC000878844582 583407006 /nfs/dbraw/zinc/40/70/06/583407006.db2.gz FAKVADWOEBKLOL-LLVKDONJSA-N 1 0 235.335 0.902 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC1CC([NH+](C)C)C1 ZINC000857228522 588896309 /nfs/dbraw/zinc/89/63/09/588896309.db2.gz OUSYKCYLOGXMBQ-RTYFJBAXSA-N 1 0 226.320 0.522 20 30 BCEDRO C#CC[N@@H+](CCC(=O)N(C)C)C1CSC1 ZINC000878910778 583411923 /nfs/dbraw/zinc/41/19/23/583411923.db2.gz UNIYGLOLSCYUBN-UHFFFAOYSA-N 1 0 226.345 0.515 20 30 BCEDRO C=CCNC(=S)NCC[N@@H+](C)CCOC ZINC000726908248 583452308 /nfs/dbraw/zinc/45/23/08/583452308.db2.gz WRMHBOGSVIINGA-UHFFFAOYSA-N 1 0 231.365 0.215 20 30 BCEDRO C=CCOCC[NH2+]C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894432347 583456364 /nfs/dbraw/zinc/45/63/64/583456364.db2.gz YLYZDOGQCSDPNJ-IUCAKERBSA-N 1 0 249.257 0.833 20 30 BCEDRO C#CCCCCNC(=O)NCC(C)(C)[NH3+] ZINC000841861514 583459170 /nfs/dbraw/zinc/45/91/70/583459170.db2.gz XIABPQMKPVLDJL-UHFFFAOYSA-N 1 0 211.309 0.826 20 30 BCEDRO C#C[C@H](C)[N@@H+](C)C[C@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894573579 583486962 /nfs/dbraw/zinc/48/69/62/583486962.db2.gz FBKSGQPEMXEMDR-CIUDSAMLSA-N 1 0 231.242 0.994 20 30 BCEDRO C=CCOC[C@H](NCc1c[nH]cn1)C(=O)OC ZINC000894642790 583499178 /nfs/dbraw/zinc/49/91/78/583499178.db2.gz NOYZXRUJIWJYRX-JTQLQIEISA-N 1 0 239.275 0.244 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](CF)C1 ZINC000880299741 583526173 /nfs/dbraw/zinc/52/61/73/583526173.db2.gz KZQGSTYRTXZPOK-JTQLQIEISA-N 1 0 212.268 0.417 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000894863794 583536095 /nfs/dbraw/zinc/53/60/95/583536095.db2.gz TVNLTNRBDWRTFJ-LBPRGKRZSA-N 1 0 237.347 0.200 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1)C(C)C ZINC000894935381 583558182 /nfs/dbraw/zinc/55/81/82/583558182.db2.gz YCIFIDOGHZTWGP-XQQFMLRXSA-N 1 0 249.358 0.847 20 30 BCEDRO C#C[C@H](CC)NC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000894937618 583558641 /nfs/dbraw/zinc/55/86/41/583558641.db2.gz RTEGJSQZKJRPLW-IJLUTSLNSA-N 1 0 235.331 0.744 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000841874970 583591001 /nfs/dbraw/zinc/59/10/01/583591001.db2.gz LZLBSBOEPCDNOT-LLVKDONJSA-N 1 0 241.335 0.309 20 30 BCEDRO C#CCOCCNC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841875198 583591810 /nfs/dbraw/zinc/59/18/10/583591810.db2.gz MMTTZAYDFIJUCI-WDEREUQCSA-N 1 0 239.319 0.205 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H](C)COC(C)=O ZINC000895132826 583601623 /nfs/dbraw/zinc/60/16/23/583601623.db2.gz YRZVZWLKZSXPKC-MWLCHTKSSA-N 1 0 213.277 0.302 20 30 BCEDRO CC[C@@H]1C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CO1 ZINC000895157370 583607726 /nfs/dbraw/zinc/60/77/26/583607726.db2.gz PGVLBRPGJVQREY-BBBLOLIVSA-N 1 0 228.292 0.524 20 30 BCEDRO CC[C@@H]1C[C@H]([NH2+][C@H]2CCCN(O)C2=O)CCO1 ZINC000895159707 583608325 /nfs/dbraw/zinc/60/83/25/583608325.db2.gz XQQFWYWQWHUOCB-MXWKQRLJSA-N 1 0 242.319 0.914 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCN(O)C1=O ZINC000895160030 583608955 /nfs/dbraw/zinc/60/89/55/583608955.db2.gz JUFMOHLRWRYCOJ-UWVGGRQHSA-N 1 0 225.292 0.896 20 30 BCEDRO CO[C@@H]1CCC[C@H]([NH2+][C@@H]2CCCN(O)C2=O)C1 ZINC000895159945 583609017 /nfs/dbraw/zinc/60/90/17/583609017.db2.gz JDMDMELCCSLFNQ-HBNTYKKESA-N 1 0 242.319 0.914 20 30 BCEDRO CC(C)OC1CC([NH2+][C@H]2CCCN(O)C2=O)C1 ZINC000895160939 583609706 /nfs/dbraw/zinc/60/97/06/583609706.db2.gz PXRLUIODKZCHRS-ILDUYXDCSA-N 1 0 242.319 0.912 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@@H]2CCCN(O)C2=O)C1 ZINC000895160704 583609790 /nfs/dbraw/zinc/60/97/90/583609790.db2.gz OSCYYRVOEAVUPG-KXUCPTDWSA-N 1 0 223.276 0.648 20 30 BCEDRO COC1CCC([NH2+][C@H]2CCCN(O)C2=O)CC1 ZINC000895160357 583609876 /nfs/dbraw/zinc/60/98/76/583609876.db2.gz MJPVNTBBXHMNDQ-ILDUYXDCSA-N 1 0 242.319 0.914 20 30 BCEDRO C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@@H]1CCOC1 ZINC000895159790 583610032 /nfs/dbraw/zinc/61/00/32/583610032.db2.gz IEVZEUSMJXVPCA-AEJSXWLSSA-N 1 0 228.292 0.381 20 30 BCEDRO C[C@H]([NH2+][C@H]1CCCN(O)C1=O)[C@@H]1CCCOC1 ZINC000895161401 583610051 /nfs/dbraw/zinc/61/00/51/583610051.db2.gz RGVYYXICXCCYBN-AXFHLTTASA-N 1 0 242.319 0.771 20 30 BCEDRO C[C@@H]1C[C@@H]([NH2+][C@@H]2CCCN(O)C2=O)CCO1 ZINC000895161862 583610348 /nfs/dbraw/zinc/61/03/48/583610348.db2.gz IEOKKEKWPIFPHM-KXUCPTDWSA-N 1 0 228.292 0.524 20 30 BCEDRO CC[NH+]1CCC(N[C@H]2CCCN(O)C2=O)CC1 ZINC000895162422 583610774 /nfs/dbraw/zinc/61/07/74/583610774.db2.gz ZFIFQFKHJMFVLJ-NSHDSACASA-N 1 0 241.335 0.441 20 30 BCEDRO COCCOC[C@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895196278 583623203 /nfs/dbraw/zinc/62/32/03/583623203.db2.gz JTGRRVZDVVMQAI-VHSXEESVSA-N 1 0 246.307 0.008 20 30 BCEDRO C#C[C@H](NC(=O)NCC[NH2+]CC)[C@H]1CCCO1 ZINC000841881696 583624002 /nfs/dbraw/zinc/62/40/02/583624002.db2.gz UKFDQMGKMULPPP-WDEREUQCSA-N 1 0 239.319 0.076 20 30 BCEDRO CCNC(NCCN1CCO[C@@H](C)C1)=[NH+]CC ZINC000727241483 583624672 /nfs/dbraw/zinc/62/46/72/583624672.db2.gz SGTXGFOYLMHRSU-NSHDSACASA-N 1 0 242.367 0.282 20 30 BCEDRO COCCN(C)N=C(C)CC[NH+](C)C ZINC000794965923 583630453 /nfs/dbraw/zinc/63/04/53/583630453.db2.gz GJKUOZDXKQQEFF-UHFFFAOYSA-N 1 0 201.314 0.892 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000895248538 583632092 /nfs/dbraw/zinc/63/20/92/583632092.db2.gz MIUFOUZZLXMEND-UWVGGRQHSA-N 1 0 225.292 0.450 20 30 BCEDRO C=CCONC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000895246556 583632702 /nfs/dbraw/zinc/63/27/02/583632702.db2.gz APEXHRXZBBGJLX-PWSUYJOCSA-N 1 0 239.319 0.697 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000895490990 583681084 /nfs/dbraw/zinc/68/10/84/583681084.db2.gz XIQLWEOVODXJFE-CYDGBPFRSA-N 1 0 235.327 0.918 20 30 BCEDRO C=C[C@H](C)ONC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000895577938 583693748 /nfs/dbraw/zinc/69/37/48/583693748.db2.gz CVOIZLVDXQJDKV-HBNTYKKESA-N 1 0 239.319 0.838 20 30 BCEDRO C=C[C@H](C)ONC(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000895577936 583694082 /nfs/dbraw/zinc/69/40/82/583694082.db2.gz CVOIZLVDXQJDKV-DCAQKATOSA-N 1 0 239.319 0.838 20 30 BCEDRO O[C@@H]1CCN(CC[NH2+]CC#Cc2ccccc2)C1 ZINC000895636572 583699795 /nfs/dbraw/zinc/69/97/95/583699795.db2.gz JLVSGLJVBLMGEF-OAHLLOKOSA-N 1 0 244.338 0.694 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000895679572 583705137 /nfs/dbraw/zinc/70/51/37/583705137.db2.gz QOFFGMUIIFQHBS-WDEREUQCSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H](C)COCCOC ZINC000895672839 583707091 /nfs/dbraw/zinc/70/70/91/583707091.db2.gz XTWUASANJKHTTK-VXGBXAGGSA-N 1 0 229.320 0.666 20 30 BCEDRO C#C[C@H](CCC)NC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000895689865 583707531 /nfs/dbraw/zinc/70/75/31/583707531.db2.gz VOHDWFZDRKXJEI-FRRDWIJNSA-N 1 0 249.358 0.991 20 30 BCEDRO CC#CCNC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000895679863 583708699 /nfs/dbraw/zinc/70/86/99/583708699.db2.gz CWCOWCLRYIAAHK-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2ccon2)C1 ZINC000895748068 583716485 /nfs/dbraw/zinc/71/64/85/583716485.db2.gz LZJJWSRDRKJHLI-LBPRGKRZSA-N 1 0 219.288 0.862 20 30 BCEDRO C#Cc1cnc(N[C@@H]2CC[N@H+](C)[C@@H]2C)nc1 ZINC000895736280 583718567 /nfs/dbraw/zinc/71/85/67/583718567.db2.gz IXDLKPJRXLWXKF-MWLCHTKSSA-N 1 0 216.288 0.962 20 30 BCEDRO C#CC[NH+]1CCC(Nc2nccnc2C#N)CC1 ZINC000895807856 583732867 /nfs/dbraw/zinc/73/28/67/583732867.db2.gz UPMCDOIMVNCCQK-UHFFFAOYSA-N 1 0 241.298 0.858 20 30 BCEDRO C#CCSCC(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000895821146 583734504 /nfs/dbraw/zinc/73/45/04/583734504.db2.gz RLDGCSJWYPREQU-LLVKDONJSA-N 1 0 240.372 0.811 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C1CC2(C1)CO[C@H](C)C2 ZINC000895962697 583751422 /nfs/dbraw/zinc/75/14/22/583751422.db2.gz ATZHQMZPNDNFGG-OKZRHMCRSA-N 1 0 223.316 0.918 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1COC2(CCC2)C1 ZINC000895964908 583753680 /nfs/dbraw/zinc/75/36/80/583753680.db2.gz PXPQOIDAFKKYFD-MNOVXSKESA-N 1 0 209.289 0.672 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H](C)COCCOC ZINC000896035046 583764669 /nfs/dbraw/zinc/76/46/69/583764669.db2.gz NIEXVRRJGMSCBQ-VXGBXAGGSA-N 1 0 231.336 0.955 20 30 BCEDRO CCO[C@H](CNc1nccnc1C#N)C[NH+](C)C ZINC000896116550 583772280 /nfs/dbraw/zinc/77/22/80/583772280.db2.gz IJXWRUDYWNAXAR-SNVBAGLBSA-N 1 0 249.318 0.727 20 30 BCEDRO CNC(NCc1ccc(O)c(OC)c1)=[NH+]C ZINC000750543430 583790580 /nfs/dbraw/zinc/79/05/80/583790580.db2.gz XZYFTOWTEKYMIM-UHFFFAOYSA-N 1 0 223.276 0.696 20 30 BCEDRO C#CCCNC(=O)c1cc([C@H]2CCCN2C)n[nH]1 ZINC000896347633 583795380 /nfs/dbraw/zinc/79/53/80/583795380.db2.gz RFSGBVPTVZXAPZ-GFCCVEGCSA-N 1 0 246.314 0.930 20 30 BCEDRO C#C[C@@H]1CCCCN1C(=O)NC[C@H]1CC[N@H+]1C ZINC000896619082 583818010 /nfs/dbraw/zinc/81/80/10/583818010.db2.gz JHLHIWMYWFBABR-VXGBXAGGSA-N 1 0 235.331 0.888 20 30 BCEDRO C=CC(C)(C)NC(=O)NC[C@H]1CC[N@H+]1C ZINC000896618551 583818019 /nfs/dbraw/zinc/81/80/19/583818019.db2.gz FBKVTGPAILARGE-SECBINFHSA-N 1 0 211.309 0.954 20 30 BCEDRO C#Cc1ccc(CNC(=O)N[C@H](C)C[NH3+])cc1 ZINC000841907553 583865486 /nfs/dbraw/zinc/86/54/86/583865486.db2.gz BZKUEDKSOUYFPQ-SNVBAGLBSA-N 1 0 231.299 0.814 20 30 BCEDRO C#Cc1ccc(CNC(=O)N[C@H]2CC[NH2+]C2)cc1 ZINC000841907873 583878417 /nfs/dbraw/zinc/87/84/17/583878417.db2.gz GOJTUBRRKFBMSH-ZDUSSCGKSA-N 1 0 243.310 0.829 20 30 BCEDRO C=CCONC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000841913531 583904164 /nfs/dbraw/zinc/90/41/64/583904164.db2.gz PCBDMALLXKUNKX-VIFPVBQESA-N 1 0 227.308 0.873 20 30 BCEDRO C=CCONC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000841913395 583904411 /nfs/dbraw/zinc/90/44/11/583904411.db2.gz MUOISPJOHNFUIO-SNVBAGLBSA-N 1 0 227.308 0.935 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1ccnn1C ZINC000858333499 588943244 /nfs/dbraw/zinc/94/32/44/588943244.db2.gz IIRBLUJSHNAESN-NSHDSACASA-N 1 0 221.304 0.938 20 30 BCEDRO C#Cc1ccc(C[NH2+][C@@H]2CCOC[C@H]2O)cc1 ZINC000858300681 588943336 /nfs/dbraw/zinc/94/33/36/588943336.db2.gz LNMJQJFCBIMFKF-ZIAGYGMSSA-N 1 0 231.295 0.907 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1cnc2cnccn12 ZINC000858334969 588947286 /nfs/dbraw/zinc/94/72/86/588947286.db2.gz JEVBZMRZVVGMJG-NSHDSACASA-N 1 0 244.298 0.857 20 30 BCEDRO C#CCSCC(=O)NCC1([NH+](C)C)CCC1 ZINC000897500152 583997497 /nfs/dbraw/zinc/99/74/97/583997497.db2.gz PWBFXAWUOLZMBV-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO C#CCNC(=O)NCc1cccc2c1CC[NH2+]C2 ZINC000865343673 584016152 /nfs/dbraw/zinc/01/61/52/584016152.db2.gz RDWBGBGHZNQOCW-UHFFFAOYSA-N 1 0 243.310 0.765 20 30 BCEDRO C[NH+]1CCC(CN2CCO[C@@](C)(C#N)C2)CC1 ZINC000897588658 584023232 /nfs/dbraw/zinc/02/32/32/584023232.db2.gz JWOGEZYNPQAGSR-ZDUSSCGKSA-N 1 0 237.347 0.943 20 30 BCEDRO C[C@@H]1C[N@H+](Cc2cccc(C#N)n2)C[C@H]1O ZINC000897680565 584038201 /nfs/dbraw/zinc/03/82/01/584038201.db2.gz SQTOGUVFVSSBQM-BXKDBHETSA-N 1 0 217.272 0.766 20 30 BCEDRO N#CCN1CCC(Nc2cc[nH+]c(CO)c2)CC1 ZINC000858399431 588951470 /nfs/dbraw/zinc/95/14/70/588951470.db2.gz FFOGFRMBBCXQRC-UHFFFAOYSA-N 1 0 246.314 0.974 20 30 BCEDRO C#CCSCC(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000897846241 584054086 /nfs/dbraw/zinc/05/40/86/584054086.db2.gz XSCFVYVHKBFIDS-GHMZBOCLSA-N 1 0 240.372 0.904 20 30 BCEDRO C[C@]1([NH2+]Cc2cc(C#N)cs2)CCNC1=O ZINC000897870886 584056289 /nfs/dbraw/zinc/05/62/89/584056289.db2.gz BKMWAEFKCBLOTI-NSHDSACASA-N 1 0 235.312 0.988 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CCCc1nnnn1C ZINC000898038762 584079796 /nfs/dbraw/zinc/07/97/96/584079796.db2.gz QBOPKCOUGBLIQN-JTQLQIEISA-N 1 0 236.323 0.672 20 30 BCEDRO C=C1CN(C(=O)[C@@H](C)C[NH+]2CCOCC2)C1 ZINC000898699862 584150242 /nfs/dbraw/zinc/15/02/42/584150242.db2.gz TZDKDVQCYFZCBC-NSHDSACASA-N 1 0 224.304 0.353 20 30 BCEDRO C#CC1(F)CN(C(=O)C[C@@H]2CC[N@@H+](C)C2)C1 ZINC000899214770 584181617 /nfs/dbraw/zinc/18/16/17/584181617.db2.gz DREZKNJEGDAPGX-JTQLQIEISA-N 1 0 224.279 0.512 20 30 BCEDRO C=CCNC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000899242073 584185587 /nfs/dbraw/zinc/18/55/87/584185587.db2.gz SEBBQXNYOGSSBX-UWVGGRQHSA-N 1 0 211.309 0.799 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H](C[NH3+])[C@@H](C)C1 ZINC000899241878 584185734 /nfs/dbraw/zinc/18/57/34/584185734.db2.gz MPZKMUIKVLXQAJ-UWVGGRQHSA-N 1 0 209.293 0.246 20 30 BCEDRO CNC(NCC1(C2(O)CCC2)CC1)=[NH+]C ZINC000899261797 584190243 /nfs/dbraw/zinc/19/02/43/584190243.db2.gz AOABCZBXMLRASR-UHFFFAOYSA-N 1 0 211.309 0.476 20 30 BCEDRO CNC(NCCc1cc(C)n(C)n1)=[NH+]C ZINC000899262966 584190411 /nfs/dbraw/zinc/19/04/11/584190411.db2.gz WYPJGZGWBGOYOU-UHFFFAOYSA-N 1 0 209.297 0.066 20 30 BCEDRO CNC(NC[C@@H]1CC[N@@H+]1C1CCOCC1)=[NH+]C ZINC000899262374 584190441 /nfs/dbraw/zinc/19/04/41/584190441.db2.gz JXEBVJNXAIOCFT-NSHDSACASA-N 1 0 240.351 0.035 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=[NH2+])N[C@H](C)C1CC1 ZINC000899272716 584191999 /nfs/dbraw/zinc/19/19/99/584191999.db2.gz NPAITVSQBYDULU-LLVKDONJSA-N 1 0 236.363 0.854 20 30 BCEDRO C#CCNC(=S)NC[C@H](C[NH+](C)C)OCC ZINC000899567340 584219925 /nfs/dbraw/zinc/21/99/25/584219925.db2.gz VHYOBOULGARYGL-SNVBAGLBSA-N 1 0 243.376 0.050 20 30 BCEDRO N#Cc1cc(=O)n(C[C@H]2CCCC[NH2+]C2)cn1 ZINC000899629456 584221767 /nfs/dbraw/zinc/22/17/67/584221767.db2.gz HJJWYEMHLOYIDA-JTQLQIEISA-N 1 0 232.287 0.505 20 30 BCEDRO C=CCOCCC[NH2+]C[C@H](O)C1(O)CCC1 ZINC000899891482 584248751 /nfs/dbraw/zinc/24/87/51/584248751.db2.gz KESCPMRHNDAQRW-NSHDSACASA-N 1 0 229.320 0.445 20 30 BCEDRO N#CC[C@]1(O)CCN(c2cc[nH+]c(CO)c2)C1 ZINC000858600882 588970275 /nfs/dbraw/zinc/97/02/75/588970275.db2.gz USLSPWIOJLPBAU-LBPRGKRZSA-N 1 0 233.271 0.429 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCO[C@@H](C)C1 ZINC000900048247 584268710 /nfs/dbraw/zinc/26/87/10/584268710.db2.gz CBSBCGPTWWBBEM-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCC(=O)OC ZINC000900101962 584271770 /nfs/dbraw/zinc/27/17/70/584271770.db2.gz LSSLFUXOCFSLEJ-UHFFFAOYSA-N 1 0 228.292 0.174 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1c[nH]nc1C ZINC000900118650 584274970 /nfs/dbraw/zinc/27/49/70/584274970.db2.gz JHTQJHJIIWJYFT-UHFFFAOYSA-N 1 0 236.319 0.842 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CC)CCOC ZINC000900144147 584277488 /nfs/dbraw/zinc/27/74/88/584277488.db2.gz UYHRJRLXKJNIJT-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](CO)C1 ZINC000900146469 584278787 /nfs/dbraw/zinc/27/87/87/584278787.db2.gz OOISPEFOPWMMDY-GFCCVEGCSA-N 1 0 240.347 0.725 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CC#N)CC#N ZINC000900463269 584313934 /nfs/dbraw/zinc/31/39/34/584313934.db2.gz ASMCVUJGTRQUHV-UHFFFAOYSA-N 1 0 220.276 0.370 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCO[C@H](C#N)C1 ZINC000900605001 584330855 /nfs/dbraw/zinc/33/08/55/584330855.db2.gz ILQQFFAIDODCPK-LLVKDONJSA-N 1 0 237.303 0.245 20 30 BCEDRO C#CCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000900712250 584344097 /nfs/dbraw/zinc/34/40/97/584344097.db2.gz XDMWVJCGKKYAOG-UHFFFAOYSA-N 1 0 234.303 0.198 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)c1cnn(C)c1 ZINC000900810719 584354196 /nfs/dbraw/zinc/35/41/96/584354196.db2.gz URAODIFUTGDOCY-UHFFFAOYSA-N 1 0 236.319 0.891 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCOC[C@@H]1C#N ZINC000900849298 584357374 /nfs/dbraw/zinc/35/73/74/584357374.db2.gz XDHPQBMAUJBESJ-NSHDSACASA-N 1 0 237.303 0.245 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOCCOC ZINC000900955189 584371111 /nfs/dbraw/zinc/37/11/11/584371111.db2.gz MUZJSUGXACSBKU-UHFFFAOYSA-N 1 0 216.281 0.189 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CC)C(=O)OC ZINC000900988037 584372931 /nfs/dbraw/zinc/37/29/31/584372931.db2.gz VXBAKHLRUUVTDB-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CCO)C1CC1 ZINC000901095651 584384625 /nfs/dbraw/zinc/38/46/25/584384625.db2.gz YBWQBGRWPMSHJV-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@@H](O)C1 ZINC000901129174 584387666 /nfs/dbraw/zinc/38/76/66/584387666.db2.gz ALUAOKFLZYYDMG-AOOOYVTPSA-N 1 0 212.293 0.134 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CCOC1 ZINC000901190324 584393976 /nfs/dbraw/zinc/39/39/76/584393976.db2.gz YBWBHJURXIDHGG-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO CC(=NN[C@@H]1CCSC1)c1c[nH]c(N)[nH+]1 ZINC000901238294 584405740 /nfs/dbraw/zinc/40/57/40/584405740.db2.gz BBXYTVIPRVQRAZ-SSDOTTSWSA-N 1 0 225.321 0.811 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)CCC(C)=O ZINC000901245579 584407725 /nfs/dbraw/zinc/40/77/25/584407725.db2.gz GBQASVBZOTTYNS-UHFFFAOYSA-N 1 0 226.320 0.932 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]CCN2)c(C)c1 ZINC000901252721 584410369 /nfs/dbraw/zinc/41/03/69/584410369.db2.gz MYWIKZKRMPUURG-UHFFFAOYSA-N 1 0 232.287 0.886 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1(CO)CCCC1 ZINC000901221805 584410912 /nfs/dbraw/zinc/41/09/12/584410912.db2.gz NLOHYVTWULQACA-UHFFFAOYSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](CO)C1 ZINC000901225352 584411993 /nfs/dbraw/zinc/41/19/93/584411993.db2.gz PMSUTJNDQGDSSA-LLVKDONJSA-N 1 0 226.320 0.335 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[C@H](O)C1 ZINC000901284688 584421752 /nfs/dbraw/zinc/42/17/52/584421752.db2.gz HSLBTOSKHRJBAV-GHMZBOCLSA-N 1 0 226.320 0.334 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C12CC[NH+](CC1)C2 ZINC000901323358 584430498 /nfs/dbraw/zinc/43/04/98/584430498.db2.gz ROJXYLKPAXOXMG-LLVKDONJSA-N 1 0 238.331 0.383 20 30 BCEDRO CC#CCCNC(=O)c1ccnn1CC[NH+](C)C ZINC000901356367 584432242 /nfs/dbraw/zinc/43/22/42/584432242.db2.gz BMWHELWTLWBOQN-UHFFFAOYSA-N 1 0 248.330 0.588 20 30 BCEDRO C=C[C@@H](NC[C@H](C[NH+](C)C)OCC)C(=O)OC ZINC000901591978 584465578 /nfs/dbraw/zinc/46/55/78/584465578.db2.gz FZRRJPGXNDLSTK-GHMZBOCLSA-N 1 0 244.335 0.270 20 30 BCEDRO Cc1cc(C#N)cc(C)c1C[NH2+]C[C@@H](O)CO ZINC000902726912 584661537 /nfs/dbraw/zinc/66/15/37/584661537.db2.gz JPCCEKLLVJWKBG-GFCCVEGCSA-N 1 0 234.299 0.618 20 30 BCEDRO C[C@@H]([NH2+][C@H]1CC(=O)N(C)C1)c1cc(C#N)ccn1 ZINC000902784064 584666278 /nfs/dbraw/zinc/66/62/78/584666278.db2.gz MYESTBJKGLRQDP-KOLCDFICSA-N 1 0 244.298 0.835 20 30 BCEDRO C[C@@H](NC[C@@H](O)C[NH+](C)C)c1cc(C#N)ccn1 ZINC000902796936 584674600 /nfs/dbraw/zinc/67/46/00/584674600.db2.gz WXCSPEOFVATKFB-ZYHUDNBSSA-N 1 0 248.330 0.526 20 30 BCEDRO C#CCCOC(=O)NC[C@](C)(O)C[NH+](C)C ZINC000859076929 588998089 /nfs/dbraw/zinc/99/80/89/588998089.db2.gz MVBMSKDMHWAJDN-NSHDSACASA-N 1 0 228.292 0.049 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)c2cc(C#N)c[nH]2)CC[N@@H+]1C ZINC000902927439 584697755 /nfs/dbraw/zinc/69/77/55/584697755.db2.gz HGSNDWANDZJDFY-SCZZXKLOSA-N 1 0 232.287 0.709 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H](F)C1 ZINC000903001190 584715419 /nfs/dbraw/zinc/71/54/19/584715419.db2.gz MIGPKMFHJJTWCU-SECBINFHSA-N 1 0 200.257 0.723 20 30 BCEDRO C=CCNC(=O)NC(=O)CN1CCC[C@@H](F)C1 ZINC000903002582 584716470 /nfs/dbraw/zinc/71/64/70/584716470.db2.gz DECMVUFETXFNLG-SECBINFHSA-N 1 0 243.282 0.432 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)c1cn(C)nn1 ZINC000903009046 584717649 /nfs/dbraw/zinc/71/76/49/584717649.db2.gz XLOOAVIYNVLIDL-KKZNHRDASA-N 1 0 222.292 0.809 20 30 BCEDRO N#CC1(C[NH2+][C@@H]2CCO[C@]23CCOC3)CC1 ZINC000903219086 584737827 /nfs/dbraw/zinc/73/78/27/584737827.db2.gz DJIXPRNXRFMTFQ-PWSUYJOCSA-N 1 0 222.288 0.828 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]C2CC(CC(N)=O)C2)C1 ZINC000903261586 584740391 /nfs/dbraw/zinc/74/03/91/584740391.db2.gz YHRDDIOVHLYZLV-BZCXBAJXSA-N 1 0 221.304 0.922 20 30 BCEDRO C=CCC[C@H](C)[NH2+]C[C@]1(CO)COCCN1C ZINC000903277976 584742478 /nfs/dbraw/zinc/74/24/78/584742478.db2.gz KEAWOPTVTKRWEO-STQMWFEESA-N 1 0 242.363 0.624 20 30 BCEDRO N#CC1CCC(CN2CCO[C@H](C[NH3+])C2)CC1 ZINC000903449907 584772364 /nfs/dbraw/zinc/77/23/64/584772364.db2.gz XFZSOGUZGFODDR-WXRRBKDZSA-N 1 0 237.347 0.976 20 30 BCEDRO C[NH2+]CCNS(=O)(=O)c1ccsc1C#N ZINC000903485880 584776607 /nfs/dbraw/zinc/77/66/07/584776607.db2.gz KYKPYJUITGQRFS-UHFFFAOYSA-N 1 0 245.329 0.117 20 30 BCEDRO C[C@@]1(C#N)CN(CC2CC[NH2+]CC2)CCO1 ZINC000903708094 584791367 /nfs/dbraw/zinc/79/13/67/584791367.db2.gz XQVWJLNHIIEHOX-GFCCVEGCSA-N 1 0 223.320 0.600 20 30 BCEDRO C[C@]1(C#N)CCN(C[C@@H]2C[C@]3(CC[NH2+]C3)CO2)C1 ZINC000903767128 584798075 /nfs/dbraw/zinc/79/80/75/584798075.db2.gz UOOBWJCZDZNXBR-MJBXVCDLSA-N 1 0 249.358 0.991 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H]2CC[C@@]21C[NH3+] ZINC000903795658 584801121 /nfs/dbraw/zinc/80/11/21/584801121.db2.gz OGCQCMNJBJZIHY-WCQYABFASA-N 1 0 237.347 0.492 20 30 BCEDRO C=CCN(C)C(=O)C(=O)N(CC[NH2+]C)C(C)C ZINC000903808541 584803463 /nfs/dbraw/zinc/80/34/63/584803463.db2.gz HZKQTHSDOBLNLS-UHFFFAOYSA-N 1 0 241.335 0.087 20 30 BCEDRO C[C@@]1(C#N)CN(C[C@@H]2CCCC[NH2+]C2)CCO1 ZINC000903825088 584804360 /nfs/dbraw/zinc/80/43/60/584804360.db2.gz YEJBGPFTNIPKSR-CHWSQXEVSA-N 1 0 237.347 0.991 20 30 BCEDRO COCC[C@@H]1C[NH2+]CCN1Cc1ccc(C#N)o1 ZINC000903839232 584807195 /nfs/dbraw/zinc/80/71/95/584807195.db2.gz JIHNDTIBQYDLAR-LLVKDONJSA-N 1 0 249.314 0.962 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)CC1(C#N)CC1 ZINC000859157274 589011259 /nfs/dbraw/zinc/01/12/59/589011259.db2.gz YSSJRLPHAAJRAD-LLVKDONJSA-N 1 0 206.289 0.996 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@@H]([NH3+])CC(F)F ZINC000903929450 584824440 /nfs/dbraw/zinc/82/44/40/584824440.db2.gz GBKDLXSGIGAXFE-DTWKUNHWSA-N 1 0 218.247 0.303 20 30 BCEDRO C#CCCOC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000859166898 589012667 /nfs/dbraw/zinc/01/26/67/589012667.db2.gz PDLWRKGKFBQTLW-QWRGUYRKSA-N 1 0 222.288 0.782 20 30 BCEDRO CC(=[NH+]N(C)[C@H](C)CO)c1ccc(N)nc1 ZINC000842539304 584900579 /nfs/dbraw/zinc/90/05/79/584900579.db2.gz UPLNHQIOZNFXSZ-MRVPVSSYSA-N 1 0 222.292 0.700 20 30 BCEDRO C#CC1CC[NH+](CC(=O)NC(=O)NC2CC2)CC1 ZINC000830305144 584908167 /nfs/dbraw/zinc/90/81/67/584908167.db2.gz HJQXXUGGAOOPKL-UHFFFAOYSA-N 1 0 249.314 0.320 20 30 BCEDRO C#C[C@@H](CC)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000754358028 584917745 /nfs/dbraw/zinc/91/77/45/584917745.db2.gz SMQISTUEDOABFN-WDEREUQCSA-N 1 0 208.305 0.999 20 30 BCEDRO COCC#CC[NH+]1CCC(c2nnc[nH]2)CC1 ZINC000762925305 584917716 /nfs/dbraw/zinc/91/77/16/584917716.db2.gz DONAPKVMEFERRE-UHFFFAOYSA-N 1 0 234.303 0.634 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)Cc1ccccc1O ZINC000731843444 584929625 /nfs/dbraw/zinc/92/96/25/584929625.db2.gz HRCLOUVKPSMQPS-UHFFFAOYSA-N 1 0 232.283 0.573 20 30 BCEDRO C[N@H+](CC(=O)NCCC#N)Cc1ccccc1O ZINC000731844795 584929655 /nfs/dbraw/zinc/92/96/55/584929655.db2.gz JDKPHWFMAZTHAN-UHFFFAOYSA-N 1 0 247.298 0.854 20 30 BCEDRO C(C[NH+]1CCCCC1)NN=C1CCOC1 ZINC000731925558 584931534 /nfs/dbraw/zinc/93/15/34/584931534.db2.gz JURPDKFOWOIAGM-UHFFFAOYSA-N 1 0 211.309 0.838 20 30 BCEDRO C#CCCNC(=O)NC[C@H]1CCC[N@@H+](C)C1 ZINC000733646390 584951423 /nfs/dbraw/zinc/95/14/23/584951423.db2.gz GYRBNGSLABSXLE-LLVKDONJSA-N 1 0 223.320 0.651 20 30 BCEDRO CC(C)[C@H]([NH3+])CCNC(=O)c1ccc(C#N)[nH]1 ZINC000884416006 584953010 /nfs/dbraw/zinc/95/30/10/584953010.db2.gz NZKMUPVXDCAMCC-SNVBAGLBSA-N 1 0 234.303 0.990 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000820428772 585013575 /nfs/dbraw/zinc/01/35/75/585013575.db2.gz RWAOVZHYUGFKEP-RYUDHWBXSA-N 1 0 233.315 0.664 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000820428775 585013597 /nfs/dbraw/zinc/01/35/97/585013597.db2.gz RWAOVZHYUGFKEP-VXGBXAGGSA-N 1 0 233.315 0.664 20 30 BCEDRO CCc1cnc(C=NNC2=[NH+]C[C@H](C)N2)s1 ZINC000814896942 585016084 /nfs/dbraw/zinc/01/60/84/585016084.db2.gz BCANEUNOSGURJG-ZETCQYMHSA-N 1 0 237.332 0.977 20 30 BCEDRO COc1cc(C(C)=NNC2=[NH+]C[C@@H](C)N2)on1 ZINC000814897285 585018427 /nfs/dbraw/zinc/01/84/27/585018427.db2.gz HBELLMHJEYKVDY-ZCFIWIBFSA-N 1 0 237.263 0.345 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CCc2n[nH]cc2C1 ZINC000774061488 585026131 /nfs/dbraw/zinc/02/61/31/585026131.db2.gz ABTVOCZJSJUJBQ-LLVKDONJSA-N 1 0 248.330 0.501 20 30 BCEDRO CON=CC(=O)N[C@@H]1C[N@@H+](C2CC2)C[C@@H]1C ZINC000774434381 585030637 /nfs/dbraw/zinc/03/06/37/585030637.db2.gz MMIGVXXEHVKEDM-WCBMZHEXSA-N 1 0 225.292 0.218 20 30 BCEDRO C[C@]1(O)CC[N@H+](C[C@@H](O)CC2(C#N)CCC2)C1 ZINC000886033052 585036421 /nfs/dbraw/zinc/03/64/21/585036421.db2.gz RAEHFEFHNOBTIP-RYUDHWBXSA-N 1 0 238.331 0.888 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N[C@H](CC)COC ZINC000737979803 585039616 /nfs/dbraw/zinc/03/96/16/585039616.db2.gz NDGSAFMXRVAQCK-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)OC ZINC000838623800 585063890 /nfs/dbraw/zinc/06/38/90/585063890.db2.gz OJMWPSCITYMXAS-UHFFFAOYSA-N 1 0 213.281 0.144 20 30 BCEDRO C#CCSCCNC(=S)NCC[NH+](C)C ZINC000739460258 585065442 /nfs/dbraw/zinc/06/54/42/585065442.db2.gz KLHOULOPPRCVRY-UHFFFAOYSA-N 1 0 245.417 0.379 20 30 BCEDRO C=CCONC(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000838707625 585065808 /nfs/dbraw/zinc/06/58/08/585065808.db2.gz NWDXXFITIABUMW-SECBINFHSA-N 1 0 227.308 0.886 20 30 BCEDRO C=CCONC(=O)N1CCC[N@@H+](CC)CC1 ZINC000838709128 585066144 /nfs/dbraw/zinc/06/61/44/585066144.db2.gz PQZUXKYRAXUQKU-UHFFFAOYSA-N 1 0 227.308 0.841 20 30 BCEDRO C=CCONC(=O)N1CC[C@]2(CC[N@@H+](C)C2)C1 ZINC000838713896 585067294 /nfs/dbraw/zinc/06/72/94/585067294.db2.gz VMNHJTQOTAYDMW-LBPRGKRZSA-N 1 0 239.319 0.841 20 30 BCEDRO C=CCN(CC(=O)OCC)C[C@H](O)C1CC1 ZINC000838799982 585069032 /nfs/dbraw/zinc/06/90/32/585069032.db2.gz KGWLZGFQWBNYAR-NSHDSACASA-N 1 0 227.304 0.808 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1cncn1C)[C@H]1CCCO1 ZINC000838936764 585081712 /nfs/dbraw/zinc/08/17/12/585081712.db2.gz OBQXLFSTAIAZRY-CHWSQXEVSA-N 1 0 233.315 0.733 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)C1CC1)[C@H]1CCCO1 ZINC000838937168 585081808 /nfs/dbraw/zinc/08/18/08/585081808.db2.gz RCFVOPGDUGSSEH-QJPTWQEYSA-N 1 0 209.289 0.528 20 30 BCEDRO C#C[C@@H]1COCCN1CC[NH+]1CCCC1 ZINC000839196841 585099013 /nfs/dbraw/zinc/09/90/13/585099013.db2.gz QSUMDKDAZYCVKV-GFCCVEGCSA-N 1 0 208.305 0.416 20 30 BCEDRO CC(C)S(=O)(=O)NN=C1CC[N@H+](C)[C@@H](C)C1 ZINC000741459853 585113345 /nfs/dbraw/zinc/11/33/45/585113345.db2.gz IKNXGRHRCUZZIO-VIFPVBQESA-N 1 0 247.364 0.784 20 30 BCEDRO C[C@@H]1CC(=NNC(=S)N(C)C)CC[N@@H+]1C ZINC000741464002 585114406 /nfs/dbraw/zinc/11/44/06/585114406.db2.gz JZNHCAFWRKEHDH-MRVPVSSYSA-N 1 0 228.365 0.893 20 30 BCEDRO CC1(C)[C@@H]2C[N@@H+](CC(=O)NCCC#N)C[C@@H]21 ZINC000741806115 585119404 /nfs/dbraw/zinc/11/94/04/585119404.db2.gz CMHXLYDAJDDBNI-AOOOYVTPSA-N 1 0 221.304 0.604 20 30 BCEDRO C=CCNC(=S)N1CC[C@@H]([NH+]2CC=CC2)C1 ZINC000741867874 585120494 /nfs/dbraw/zinc/12/04/94/585120494.db2.gz UCIJFXRXBGQTJF-LLVKDONJSA-N 1 0 237.372 0.993 20 30 BCEDRO Cn1cc([C@@H](O)C[NH2+]Cc2ccc(C#N)o2)cn1 ZINC000742376445 585125419 /nfs/dbraw/zinc/12/54/19/585125419.db2.gz SWVMJJFERHBAJN-LBPRGKRZSA-N 1 0 246.270 0.708 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@H](O)CC2(O)CCC2)C1 ZINC000886365191 585134771 /nfs/dbraw/zinc/13/47/71/585134771.db2.gz BTPZVANDSKOYMV-QWHCGFSZSA-N 1 0 237.343 0.998 20 30 BCEDRO CC1(C)C(N=NC(N)=[NH2+])[C@H]2CCCO[C@@H]21 ZINC000743417217 585136353 /nfs/dbraw/zinc/13/63/53/585136353.db2.gz GFQDFSFGYDIAGD-SVRRBLITSA-N 1 0 210.281 0.660 20 30 BCEDRO C#CCN(CC#CC)CCn1ccccc1=O ZINC000743852545 585140638 /nfs/dbraw/zinc/14/06/38/585140638.db2.gz VFSHZQMJPFHDND-UHFFFAOYSA-N 1 0 228.295 0.807 20 30 BCEDRO C=CCOCC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000744346143 585149149 /nfs/dbraw/zinc/14/91/49/585149149.db2.gz WQFHTMWGAAZMLD-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000745858971 585161156 /nfs/dbraw/zinc/16/11/56/585161156.db2.gz VSMHOIDNDUUNIN-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](CCC(C)=O)CC1 ZINC000747824262 585184749 /nfs/dbraw/zinc/18/47/49/585184749.db2.gz JRSBXFFYODZLDF-UHFFFAOYSA-N 1 0 236.315 0.427 20 30 BCEDRO C#Cc1ccc(C(=O)N2CC[NH2+]C(C)(C)C2)cn1 ZINC000747921050 585185871 /nfs/dbraw/zinc/18/58/71/585185871.db2.gz HMQPIJCZMFAFNW-UHFFFAOYSA-N 1 0 243.310 0.887 20 30 BCEDRO CC[N@@H+]1CCC(N=N[C@@H](C)CO)[C@H](C)C1 ZINC000749820949 585207158 /nfs/dbraw/zinc/20/71/58/585207158.db2.gz LNXLHXVKDKNQNM-ZJUUUORDSA-N 1 0 213.325 0.675 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CCCC[C@H]1CCO ZINC000809573854 585212817 /nfs/dbraw/zinc/21/28/17/585212817.db2.gz AAOMTDVECIHLQS-WDEREUQCSA-N 1 0 212.293 0.498 20 30 BCEDRO COCCOc1ccccc1C=NNC(N)=[NH2+] ZINC000751516034 585231316 /nfs/dbraw/zinc/23/13/16/585231316.db2.gz DVFNOXDPKMPZBQ-UHFFFAOYSA-N 1 0 236.275 0.529 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)NCCC#N)[C@@H]1C ZINC000752092184 585242387 /nfs/dbraw/zinc/24/23/87/585242387.db2.gz LVWWALSUZSJWEH-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H]1C[N@H+](C)CC1N=Nc1ncccn1 ZINC000752159373 585242912 /nfs/dbraw/zinc/24/29/12/585242912.db2.gz CNUMUZQHIGFBCL-QMMMGPOBSA-N 1 0 205.265 0.826 20 30 BCEDRO C[C@@H]1CN(C)CC1=NNCC[NH+]1CCCCC1 ZINC000752163897 585243366 /nfs/dbraw/zinc/24/33/66/585243366.db2.gz FURCFGFXYOQFGP-GFCCVEGCSA-N 1 0 238.379 0.999 20 30 BCEDRO C=C(CO)C(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000753030949 585252422 /nfs/dbraw/zinc/25/24/22/585252422.db2.gz YFZKLFDTKPTTTI-JTQLQIEISA-N 1 0 214.309 0.380 20 30 BCEDRO C#C[C@H](CC)NC(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000753171986 585254694 /nfs/dbraw/zinc/25/46/94/585254694.db2.gz MDZAQKXOMFKUSW-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C#C[C@H](CC)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000753171990 585254800 /nfs/dbraw/zinc/25/48/00/585254800.db2.gz MDZAQKXOMFKUSW-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO Cn1ccnc1C=NNC1=[NH+][C@H]2CCCC[C@@H]2N1 ZINC000753934120 585272202 /nfs/dbraw/zinc/27/22/02/585272202.db2.gz FYMGEVGVTZLJFZ-UWVGGRQHSA-N 1 0 246.318 0.614 20 30 BCEDRO C#CC(=O)NC1CC[NH+](CC(C)C)CC1 ZINC000753971472 585273848 /nfs/dbraw/zinc/27/38/48/585273848.db2.gz SVUACDDLWWLWGK-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC(=O)N1CC[C@@H](C[N@H+](C)CC2CC2)C1 ZINC000754060084 585276821 /nfs/dbraw/zinc/27/68/21/585276821.db2.gz NVFAPUBDMCOPKY-LBPRGKRZSA-N 1 0 220.316 0.810 20 30 BCEDRO Cn1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)nn1 ZINC000755815232 585307790 /nfs/dbraw/zinc/30/77/90/585307790.db2.gz QISOVEDVWYLRFU-UWVGGRQHSA-N 1 0 247.306 0.009 20 30 BCEDRO C=C(Cl)CN1CC[N@H+](C)C[C@@H](C(=O)OC)C1 ZINC000839629943 585333127 /nfs/dbraw/zinc/33/31/27/585333127.db2.gz DVZQWNJLTBPCIS-SNVBAGLBSA-N 1 0 246.738 0.776 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000757749361 585345326 /nfs/dbraw/zinc/34/53/26/585345326.db2.gz AMHVAQHXDIJFFU-ZYHUDNBSSA-N 1 0 235.331 0.792 20 30 BCEDRO C#CCNC(=S)NCC[NH+](CC)CC ZINC000758171244 585350989 /nfs/dbraw/zinc/35/09/89/585350989.db2.gz AXXOMXDRSDQTQE-UHFFFAOYSA-N 1 0 213.350 0.426 20 30 BCEDRO C#CCNC(=S)NCC[NH+]1CCCC1 ZINC000758187156 585351208 /nfs/dbraw/zinc/35/12/08/585351208.db2.gz BSRQCBHFPODOPV-UHFFFAOYSA-N 1 0 211.334 0.180 20 30 BCEDRO C#CCNC(=S)N(CCOC)CC[NH+](C)C ZINC000758231429 585352354 /nfs/dbraw/zinc/35/23/54/585352354.db2.gz YGYCOESKZVSIAN-UHFFFAOYSA-N 1 0 243.376 0.004 20 30 BCEDRO C#CCNC(=S)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000758230763 585352622 /nfs/dbraw/zinc/35/26/22/585352622.db2.gz QSYXZCWBBQHTLH-NSHDSACASA-N 1 0 237.372 0.663 20 30 BCEDRO C#CCNC(=S)N(C)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000758247844 585352771 /nfs/dbraw/zinc/35/27/71/585352771.db2.gz SBTPFGJMWKUEBJ-QWRGUYRKSA-N 1 0 239.388 0.909 20 30 BCEDRO C#CCNC(=S)N(C)[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000758247838 585352829 /nfs/dbraw/zinc/35/28/29/585352829.db2.gz SBTPFGJMWKUEBJ-MNOVXSKESA-N 1 0 239.388 0.909 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](CCC(N)=O)C1 ZINC000760828874 585397327 /nfs/dbraw/zinc/39/73/27/585397327.db2.gz ZCDOGSMTFPHVQI-NSHDSACASA-N 1 0 208.305 0.987 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2nccn2C)CC1 ZINC000760833158 585398781 /nfs/dbraw/zinc/39/87/81/585398781.db2.gz SGMWCGDHCWGFPK-UHFFFAOYSA-N 1 0 232.331 0.561 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](COCCOC)C1 ZINC000760842006 585399073 /nfs/dbraw/zinc/39/90/73/585399073.db2.gz UNRCIRGGFGOPDE-LBPRGKRZSA-N 1 0 211.305 0.995 20 30 BCEDRO C#CCC[NH+]1CCC2(CNC(=O)C2)CC1 ZINC000760842250 585399112 /nfs/dbraw/zinc/39/91/12/585399112.db2.gz DOINBAQJCTZLPS-UHFFFAOYSA-N 1 0 206.289 0.612 20 30 BCEDRO C#CCCN1CC[NH+](C[C@@H]2CCOC2)CC1 ZINC000760843545 585399372 /nfs/dbraw/zinc/39/93/72/585399372.db2.gz LVVQTADIORKTRQ-ZDUSSCGKSA-N 1 0 222.332 0.664 20 30 BCEDRO C=CCC[C@H](O)C[NH2+]C1(C(=O)NC)CCCC1 ZINC000760844192 585399422 /nfs/dbraw/zinc/39/94/22/585399422.db2.gz KSZXMGMFXWGMLV-NSHDSACASA-N 1 0 240.347 0.962 20 30 BCEDRO C#CCC[NH+]1CCC(OCCCO)CC1 ZINC000760843497 585399434 /nfs/dbraw/zinc/39/94/34/585399434.db2.gz KPYGSKXAROLORD-UHFFFAOYSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000760858779 585400030 /nfs/dbraw/zinc/40/00/30/585400030.db2.gz AKBJJDFVCFREKH-SNVBAGLBSA-N 1 0 230.333 0.023 20 30 BCEDRO C=CCN1CC(=O)N(C2CC[NH+](C)CC2)C1=O ZINC000760939199 585402324 /nfs/dbraw/zinc/40/23/24/585402324.db2.gz OEUHPXDXQVOFQH-UHFFFAOYSA-N 1 0 237.303 0.531 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761082019 585407179 /nfs/dbraw/zinc/40/71/79/585407179.db2.gz GMVOZYFKEFMSJM-MXWKQRLJSA-N 1 0 221.304 0.841 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@@H+]1CC[C@@H]2C[C@@H]21 ZINC000761094971 585408610 /nfs/dbraw/zinc/40/86/10/585408610.db2.gz OCLLXXQSFQUDJR-AEJSXWLSSA-N 1 0 237.303 0.481 20 30 BCEDRO COc1ccnc(N=NC2C[C@@H](C)[N@H+](C)C2)n1 ZINC000761805630 585418916 /nfs/dbraw/zinc/41/89/16/585418916.db2.gz IVTCIPMZCXFBMX-MRVPVSSYSA-N 1 0 235.291 0.977 20 30 BCEDRO C[C@H]1CC(N=Nc2nccn(C)c2=O)C[N@@H+]1C ZINC000761810982 585419229 /nfs/dbraw/zinc/41/92/29/585419229.db2.gz ANIADWKHPDGUOK-QMMMGPOBSA-N 1 0 235.291 0.272 20 30 BCEDRO C=C(C)COCCNC(=S)NCC[NH+](C)C ZINC000761829049 585419599 /nfs/dbraw/zinc/41/95/99/585419599.db2.gz RCGVKEJOFHKBSG-UHFFFAOYSA-N 1 0 245.392 0.605 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1cnn(C)c1 ZINC000761861005 585420603 /nfs/dbraw/zinc/42/06/03/585420603.db2.gz RVCPVUOUAXJHHB-MRVPVSSYSA-N 1 0 207.281 0.770 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(C#N)s1 ZINC000762445950 585432326 /nfs/dbraw/zinc/43/23/26/585432326.db2.gz BVJIKJRZRTVINW-UHFFFAOYSA-N 1 0 207.262 0.827 20 30 BCEDRO C[C@H](C#N)CNC(=O)C1([NH+](C)C)CCC1 ZINC000762979332 585440548 /nfs/dbraw/zinc/44/05/48/585440548.db2.gz JHJGEOKZWAUTDQ-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCN(CC=C)C(=O)C[NH2+][C@@H](CO)C1CC1 ZINC000763078133 585442911 /nfs/dbraw/zinc/44/29/11/585442911.db2.gz CWXUXSPKAAEMNP-LBPRGKRZSA-N 1 0 238.331 0.548 20 30 BCEDRO C#CC[N@@H+](CCn1ccccc1=O)C1CC1 ZINC000763951107 585457747 /nfs/dbraw/zinc/45/77/47/585457747.db2.gz QNLLMURZERZYQS-UHFFFAOYSA-N 1 0 216.284 0.946 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ccccc1C(N)=O ZINC000763996644 585458572 /nfs/dbraw/zinc/45/85/72/585458572.db2.gz QUCKTVSFVZYGSI-UHFFFAOYSA-N 1 0 247.298 0.842 20 30 BCEDRO C#CCCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000764249262 585462776 /nfs/dbraw/zinc/46/27/76/585462776.db2.gz SDFXXNKQKYEMNV-SNVBAGLBSA-N 1 0 226.345 0.563 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1nccs1 ZINC000764314503 585463558 /nfs/dbraw/zinc/46/35/58/585463558.db2.gz YSBQJIKLKIZTKQ-UHFFFAOYSA-N 1 0 225.317 0.877 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCSCC1 ZINC000764334002 585463672 /nfs/dbraw/zinc/46/36/72/585463672.db2.gz ICPPAGXRPKIYGF-UHFFFAOYSA-N 1 0 214.334 0.680 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](C)CC#N ZINC000764498463 585466795 /nfs/dbraw/zinc/46/67/95/585466795.db2.gz HQOBMLHDVBMPPA-SNVBAGLBSA-N 1 0 209.293 0.865 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC)COC ZINC000764537168 585467294 /nfs/dbraw/zinc/46/72/94/585467294.db2.gz KUUQKHLTKVIIHM-JTQLQIEISA-N 1 0 214.309 0.645 20 30 BCEDRO CC#CC(=O)NCC1([NH+](C)C)CCOCC1 ZINC000764520652 585467421 /nfs/dbraw/zinc/46/74/21/585467421.db2.gz APEVNISHGFLVQY-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@](C)(O)CSC ZINC000764541805 585467736 /nfs/dbraw/zinc/46/77/36/585467736.db2.gz XNQCDWOLLPGFIU-LLVKDONJSA-N 1 0 246.376 0.334 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCn1cccc1 ZINC000764577434 585468056 /nfs/dbraw/zinc/46/80/56/585468056.db2.gz POPDDOIKOHDELD-UHFFFAOYSA-N 1 0 221.304 0.722 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCSCCCO ZINC000764606819 585468951 /nfs/dbraw/zinc/46/89/51/585468951.db2.gz AMHMBOWVZKYUGG-UHFFFAOYSA-N 1 0 246.376 0.336 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)C(C)C ZINC000764629584 585469397 /nfs/dbraw/zinc/46/93/97/585469397.db2.gz KXSRWTQMCBOESP-SNVBAGLBSA-N 1 0 214.309 0.237 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](O)c1ccccc1 ZINC000764627975 585469493 /nfs/dbraw/zinc/46/94/93/585469493.db2.gz GBMXSEMBJNYONV-ZDUSSCGKSA-N 1 0 248.326 0.954 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@@H]1C[C@@H](C)O ZINC000764626092 585469523 /nfs/dbraw/zinc/46/95/23/585469523.db2.gz MHMDQEWBQXTRFG-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1ncccc1O ZINC000764666281 585470416 /nfs/dbraw/zinc/47/04/16/585470416.db2.gz NJPHENNYSINKTL-UHFFFAOYSA-N 1 0 221.260 0.844 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCC1(OC)CCC1 ZINC000764666362 585470475 /nfs/dbraw/zinc/47/04/75/585470475.db2.gz OSQSTBLTKOPMRC-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C#Cc1ccc(C(=O)N2CC([NH+](C)C)C2)nc1 ZINC000765387095 585485143 /nfs/dbraw/zinc/48/51/43/585485143.db2.gz BUBQYIXJVPNXFT-UHFFFAOYSA-N 1 0 229.283 0.449 20 30 BCEDRO S=C(NN=C1CC[N@@H+]2CCC[C@H]12)NC1CC1 ZINC000765560715 585489640 /nfs/dbraw/zinc/48/96/40/585489640.db2.gz UKXXXWQPWUMMSH-SNVBAGLBSA-N 1 0 238.360 0.837 20 30 BCEDRO C1C[C@H]2C(=NN3CCOCC3)CC[N@H+]2C1 ZINC000765549253 585489794 /nfs/dbraw/zinc/48/97/94/585489794.db2.gz SXBATIMXALJAGO-NSHDSACASA-N 1 0 209.293 0.543 20 30 BCEDRO CN(C)C(=S)NN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000765574565 585490050 /nfs/dbraw/zinc/49/00/50/585490050.db2.gz CEATYOWEPOYLQW-VIFPVBQESA-N 1 0 226.349 0.647 20 30 BCEDRO C#CC(=O)NC[C@@H]1CCCC[N@@H+]1C1CC1 ZINC000765804290 585492775 /nfs/dbraw/zinc/49/27/75/585492775.db2.gz VMZBWDRFYGYYBX-NSHDSACASA-N 1 0 206.289 0.753 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccnn1C ZINC000766029125 585496538 /nfs/dbraw/zinc/49/65/38/585496538.db2.gz IUVZAWNKPYBJDQ-ZETCQYMHSA-N 1 0 220.280 0.081 20 30 BCEDRO CCO[C@H]1CCCC1=NNC1=[NH+][C@H](C)CN1 ZINC000766455960 585502828 /nfs/dbraw/zinc/50/28/28/585502828.db2.gz VTPQXVBNVNQBSX-SCZZXKLOSA-N 1 0 224.308 0.869 20 30 BCEDRO C#CC(=O)N1CC[C@H]([NH+]2CCCC2)[C@@H]1C ZINC000805333452 585505617 /nfs/dbraw/zinc/50/56/17/585505617.db2.gz JPOZURCVDMOJCR-QWRGUYRKSA-N 1 0 206.289 0.705 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@H](CS(N)(=O)=O)C1 ZINC000766904175 585509050 /nfs/dbraw/zinc/50/90/50/585509050.db2.gz XRTISSRWRINNEZ-NSHDSACASA-N 1 0 244.360 0.400 20 30 BCEDRO C#CCCC[NH+]1CCC(NC(=O)COC)CC1 ZINC000766895170 585509551 /nfs/dbraw/zinc/50/95/51/585509551.db2.gz JKNOKZOWPDJFSC-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCCC[N@@H+]1C[C@@H]2[C@H](C1)OCCN2C ZINC000766906987 585511302 /nfs/dbraw/zinc/51/13/02/585511302.db2.gz NJMWKLQYFNYVLK-NEPJUHHUSA-N 1 0 208.305 0.415 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000766932024 585512260 /nfs/dbraw/zinc/51/22/60/585512260.db2.gz PCCYBUQQBAXXQH-SNVBAGLBSA-N 1 0 230.333 0.023 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000766932023 585512307 /nfs/dbraw/zinc/51/23/07/585512307.db2.gz PCCYBUQQBAXXQH-JTQLQIEISA-N 1 0 230.333 0.023 20 30 BCEDRO C#CCNC(=O)C[N@H+](C)CCCn1ccnc1C ZINC000767449100 585520579 /nfs/dbraw/zinc/52/05/79/585520579.db2.gz IDVKKHMDSYRESJ-UHFFFAOYSA-N 1 0 248.330 0.263 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCOC[C@H]1CCO ZINC000767592167 585522762 /nfs/dbraw/zinc/52/27/62/585522762.db2.gz GHBLEFYAKFZBNB-NEPJUHHUSA-N 1 0 229.320 0.397 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CCOCC)[C@H]1CCCO1 ZINC000769790117 585563431 /nfs/dbraw/zinc/56/34/31/585563431.db2.gz URVHOISIQXCYCJ-RWMBFGLXSA-N 1 0 241.331 0.544 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CC[C@H]1CCS(=O)(=O)C1 ZINC000769961746 585567779 /nfs/dbraw/zinc/56/77/79/585567779.db2.gz NCXAERNEXOQIEU-MNOVXSKESA-N 1 0 229.345 0.765 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCCN1CCOC1=O ZINC000769963522 585568001 /nfs/dbraw/zinc/56/80/01/585568001.db2.gz VTUNWHBPPCGSDY-SNVBAGLBSA-N 1 0 210.277 0.782 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@@H](C)C[NH+](C)C)cn1 ZINC000805423028 585591852 /nfs/dbraw/zinc/59/18/52/585591852.db2.gz NVKVCICJZWKQOT-JTQLQIEISA-N 1 0 231.299 0.743 20 30 BCEDRO C#CCOCCC(=O)N1CC[N@@H+](C)[C@@H](C)[C@H]1C ZINC000771406227 585593989 /nfs/dbraw/zinc/59/39/89/585593989.db2.gz TVXMWQXAHGPFDG-NWDGAFQWSA-N 1 0 238.331 0.577 20 30 BCEDRO CN1CCCc2cc(C=[NH+]OCC(N)=O)ccc21 ZINC000771574897 585596836 /nfs/dbraw/zinc/59/68/36/585596836.db2.gz AZIRWSHMZYHISU-UHFFFAOYSA-N 1 0 247.298 0.905 20 30 BCEDRO C[NH+]1CCC(ONC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000773550797 585640450 /nfs/dbraw/zinc/64/04/50/585640450.db2.gz LWGUOFVJKRNFAR-UHFFFAOYSA-N 1 0 248.286 0.642 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H]1CC[N@H+](CC2CC2)C1 ZINC000773596290 585641359 /nfs/dbraw/zinc/64/13/59/585641359.db2.gz ADJGIHPWVRHMCU-ZYHUDNBSSA-N 1 0 235.331 0.792 20 30 BCEDRO CON=CC(=O)N(C)C1CC[NH+](C)CC1 ZINC000773692776 585642637 /nfs/dbraw/zinc/64/26/37/585642637.db2.gz KPTKJGIMVHCFNT-UHFFFAOYSA-N 1 0 213.281 0.171 20 30 BCEDRO CON=CC(=O)N1CC[NH+](C2CCCC2)CC1 ZINC000773773281 585643680 /nfs/dbraw/zinc/64/36/80/585643680.db2.gz QUQOMCVYGGLLNF-UHFFFAOYSA-N 1 0 239.319 0.705 20 30 BCEDRO CON=CC(=O)NC1CC[NH+](C(C)(C)C)CC1 ZINC000773854760 585645038 /nfs/dbraw/zinc/64/50/38/585645038.db2.gz PLVCNAGWLUFEIH-UHFFFAOYSA-N 1 0 241.335 0.998 20 30 BCEDRO C#CCOCCNC(=O)[C@@H](C)[NH2+]C(C)(C)CC ZINC000773969518 585647358 /nfs/dbraw/zinc/64/73/58/585647358.db2.gz BDVONRCKTSZEHT-LLVKDONJSA-N 1 0 240.347 0.919 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC(C)(O)CC1 ZINC000774045278 585649050 /nfs/dbraw/zinc/64/90/50/585649050.db2.gz UFYNHAYSKHVPPC-UHFFFAOYSA-N 1 0 226.320 0.478 20 30 BCEDRO CON=CC(=O)N[C@@H]1C[C@@H](C)[N@@H+](C2CC2)C1 ZINC000774039100 585649085 /nfs/dbraw/zinc/64/90/85/585649085.db2.gz FRUFOOOOJUZVQG-RKDXNWHRSA-N 1 0 225.292 0.360 20 30 BCEDRO CN1c2ccc(C=NNC(N)=[NH2+])cc2CCC1=O ZINC000774364091 585656902 /nfs/dbraw/zinc/65/69/02/585656902.db2.gz QGHILOZSLZYXTH-UHFFFAOYSA-N 1 0 245.286 0.413 20 30 BCEDRO CON=CC(=O)NC[C@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000774383814 585657221 /nfs/dbraw/zinc/65/72/21/585657221.db2.gz YVFUEKUZLZUKSY-QWRGUYRKSA-N 1 0 241.335 0.855 20 30 BCEDRO CON=CC(=O)NC[C@@H](C)[NH+]1CCC(C)CC1 ZINC000774409654 585657469 /nfs/dbraw/zinc/65/74/69/585657469.db2.gz OTVCAORVSROYLK-LLVKDONJSA-N 1 0 241.335 0.855 20 30 BCEDRO CON=CC(=O)N[C@@H](C)C[N@@H+]1CCC[C@H](C)C1 ZINC000774404737 585657576 /nfs/dbraw/zinc/65/75/76/585657576.db2.gz UMWFWAAHWOZTCW-QWRGUYRKSA-N 1 0 241.335 0.855 20 30 BCEDRO CCOCCON=C1C[N@H+](C)C[C@H]1C ZINC000774436701 585658735 /nfs/dbraw/zinc/65/87/35/585658735.db2.gz UTTKWHNSSNXTGM-SECBINFHSA-N 1 0 200.282 0.977 20 30 BCEDRO CON=CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000774440290 585658966 /nfs/dbraw/zinc/65/89/66/585658966.db2.gz VDMQABYIJXYOTO-VHSXEESVSA-N 1 0 227.308 0.560 20 30 BCEDRO C#C[C@@H](NC(=O)[C@H](C)[NH+](C)C)[C@H]1CCCO1 ZINC000775325701 585675250 /nfs/dbraw/zinc/67/52/50/585675250.db2.gz UGMXJZMRDDEEEL-HBNTYKKESA-N 1 0 224.304 0.234 20 30 BCEDRO C#C[C@H](NC(=O)[C@@H](CC)[NH+](C)C)[C@H]1CCCO1 ZINC000775353040 585676400 /nfs/dbraw/zinc/67/64/00/585676400.db2.gz ZNPBMQAHIUPPNK-QJPTWQEYSA-N 1 0 238.331 0.624 20 30 BCEDRO C#C[C@H](C)NC(=O)CCN1CC[NH+](CC)CC1 ZINC000775382756 585676815 /nfs/dbraw/zinc/67/68/15/585676815.db2.gz YPKKLFFENGBVHO-LBPRGKRZSA-N 1 0 237.347 0.152 20 30 BCEDRO C#CCC[N@H+]1CCN(CCC(=O)OC)C[C@H]1C ZINC000775561980 585679605 /nfs/dbraw/zinc/67/96/05/585679605.db2.gz ZOUPMBWGVUBJFL-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#C[C@H]([NH2+]CCn1ccnc1C)[C@H]1CCCO1 ZINC000775789921 585684735 /nfs/dbraw/zinc/68/47/35/585684735.db2.gz FEUCRPMKTKNIOZ-QWHCGFSZSA-N 1 0 233.315 0.962 20 30 BCEDRO C#C[C@H]([NH2+]CCN1CCOCC1)[C@H]1CCCO1 ZINC000775789689 585684755 /nfs/dbraw/zinc/68/47/55/585684755.db2.gz MYBXQOBIFUHKFP-QWHCGFSZSA-N 1 0 238.331 0.089 20 30 BCEDRO C#C[C@H]([NH2+]CCC1OCCCO1)[C@@H]1CCCO1 ZINC000775794818 585685076 /nfs/dbraw/zinc/68/50/76/585685076.db2.gz KHMQGIIGNOWAPR-RYUDHWBXSA-N 1 0 239.315 0.910 20 30 BCEDRO C#C[C@H]([NH2+]CCc1cnn(C)c1)[C@@H]1CCCO1 ZINC000775797826 585685101 /nfs/dbraw/zinc/68/51/01/585685101.db2.gz DZTDJJUUFDVCIZ-STQMWFEESA-N 1 0 233.315 0.733 20 30 BCEDRO C#C[C@@H]([NH2+]CCN1CCCC1=O)[C@@H]1CCCO1 ZINC000775801042 585685457 /nfs/dbraw/zinc/68/54/57/585685457.db2.gz VYBSSNULSNDBMN-NEPJUHHUSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CCCCNC(=O)NCC1=CC[N@H+](C)CC1 ZINC000776049707 585689535 /nfs/dbraw/zinc/68/95/35/585689535.db2.gz MQPYNYSDUVOZGQ-UHFFFAOYSA-N 1 0 235.331 0.961 20 30 BCEDRO CN(C)c1cc[nH+]cc1C=NN1CC(=O)NC1=O ZINC000776185056 585691987 /nfs/dbraw/zinc/69/19/87/585691987.db2.gz DWNGNCQJKYALFM-UHFFFAOYSA-N 1 0 247.258 0.033 20 30 BCEDRO C#CC[N@@H+](CCc1cn(C)nn1)C1CC1 ZINC000859252373 589024636 /nfs/dbraw/zinc/02/46/36/589024636.db2.gz MFLOVZOZVBXHLB-UHFFFAOYSA-N 1 0 204.277 0.455 20 30 BCEDRO C#CCCN1CC[NH+](C[C@@H](C)CO)CC1 ZINC000776594554 585702239 /nfs/dbraw/zinc/70/22/39/585702239.db2.gz MKUDMNCWZDLFHQ-GFCCVEGCSA-N 1 0 210.321 0.256 20 30 BCEDRO C#CCC[NH+]1CCN(CCC(=O)OCC)CC1 ZINC000776592740 585702416 /nfs/dbraw/zinc/70/24/16/585702416.db2.gz MKTYQZALCSXLTQ-UHFFFAOYSA-N 1 0 238.331 0.581 20 30 BCEDRO C#C[C@@H]([NH2+][C@H]1CCCNC(=O)C1)C(C)C ZINC000300983089 585705757 /nfs/dbraw/zinc/70/57/57/585705757.db2.gz UOFUFHDUVKEQAM-WDEREUQCSA-N 1 0 208.305 0.903 20 30 BCEDRO C#CCCC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000776879998 585706465 /nfs/dbraw/zinc/70/64/65/585706465.db2.gz YLVZHKHCXJDTPB-NSHDSACASA-N 1 0 204.277 0.938 20 30 BCEDRO C#CC(=O)N1C[C@@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000777319801 585710340 /nfs/dbraw/zinc/71/03/40/585710340.db2.gz RZJBZRHGVZWIAF-WDEREUQCSA-N 1 0 238.356 0.658 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccc(F)nc2)N1 ZINC000777443445 585712281 /nfs/dbraw/zinc/71/22/81/585712281.db2.gz VOQHLYJJWAVZLJ-SSDOTTSWSA-N 1 0 221.239 0.492 20 30 BCEDRO C=CCN(C)C(=S)NCCC[NH+](C)C ZINC000777472106 585713390 /nfs/dbraw/zinc/71/33/90/585713390.db2.gz ZILAABYMUOALPQ-UHFFFAOYSA-N 1 0 215.366 0.930 20 30 BCEDRO C#CC(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000778408853 585734267 /nfs/dbraw/zinc/73/42/67/585734267.db2.gz DTTXTZJTERJXER-SNVBAGLBSA-N 1 0 208.305 0.808 20 30 BCEDRO C=CCN1CCC([NH2+][C@H](C)CCO)CC1 ZINC000779339337 585751521 /nfs/dbraw/zinc/75/15/21/585751521.db2.gz BQELDIHXXHCJMN-LLVKDONJSA-N 1 0 212.337 0.997 20 30 BCEDRO C[C@@H]1CNC(NN=C2CN(C3CC3)C[C@H]2C)=[NH+]1 ZINC000779786488 585763295 /nfs/dbraw/zinc/76/32/95/585763295.db2.gz RFOOVOGDFKWONB-RKDXNWHRSA-N 1 0 235.335 0.394 20 30 BCEDRO COc1cccc(O)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779792325 585763629 /nfs/dbraw/zinc/76/36/29/585763629.db2.gz LJPGTHPKLJBXSZ-MRVPVSSYSA-N 1 0 248.286 0.672 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cccc3c2OCO3)N1 ZINC000779792116 585763705 /nfs/dbraw/zinc/76/37/05/585763705.db2.gz OMPLXYTZXFZBFJ-MRVPVSSYSA-N 1 0 246.270 0.687 20 30 BCEDRO Cc1ccc(O)c(C=NNC2=[NH+]C[C@@H](C)N2)c1 ZINC000779792035 585763767 /nfs/dbraw/zinc/76/37/67/585763767.db2.gz NVYCLUHVXOYHKP-SECBINFHSA-N 1 0 232.287 0.972 20 30 BCEDRO COc1c(O)cccc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779792063 585763827 /nfs/dbraw/zinc/76/38/27/585763827.db2.gz IQHFMRAHFRUQGW-QMMMGPOBSA-N 1 0 248.286 0.672 20 30 BCEDRO CCC(=NNC1=[NH+]C[C@@H](C)N1)c1cnn(C)c1 ZINC000779791409 585763901 /nfs/dbraw/zinc/76/39/01/585763901.db2.gz ISZKVIMZISOVBF-MRVPVSSYSA-N 1 0 234.307 0.472 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]C[C@@H](C)N2)c(C)[nH]1 ZINC000779791651 585763925 /nfs/dbraw/zinc/76/39/25/585763925.db2.gz DWBWVJKJAZQHHI-MRVPVSSYSA-N 1 0 219.292 0.903 20 30 BCEDRO CCn1cc(C(C)=NNC2=[NH+]C[C@H](C)N2)cn1 ZINC000779790856 585763940 /nfs/dbraw/zinc/76/39/40/585763940.db2.gz BDLGXHOTMHFPBR-QMMMGPOBSA-N 1 0 234.307 0.564 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2cnc3ccccn23)N1 ZINC000779793226 585764033 /nfs/dbraw/zinc/76/40/33/585764033.db2.gz YCXCSDPWHNOFDM-SECBINFHSA-N 1 0 242.286 0.606 20 30 BCEDRO CCn1nccc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779793308 585764135 /nfs/dbraw/zinc/76/41/35/585764135.db2.gz ZQYPYNASNGAPQQ-MRVPVSSYSA-N 1 0 220.280 0.174 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccccc2C#N)N1 ZINC000779795601 585764234 /nfs/dbraw/zinc/76/42/34/585764234.db2.gz WIXDBILAUGQXGP-SECBINFHSA-N 1 0 227.271 0.829 20 30 BCEDRO COCCCC(C)=NNC1=[NH+][C@@H](C)CN1 ZINC000779794974 585764254 /nfs/dbraw/zinc/76/42/54/585764254.db2.gz NREKRPAMPQENOC-VIFPVBQESA-N 1 0 212.297 0.726 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccn(C)c2)N1 ZINC000779795253 585764475 /nfs/dbraw/zinc/76/44/75/585764475.db2.gz REQNXPVRPILBBM-MRVPVSSYSA-N 1 0 205.265 0.296 20 30 BCEDRO CC(C[C@H]1CCOC1)=NNC1=[NH+][C@H](C)CN1 ZINC000779794337 585764504 /nfs/dbraw/zinc/76/45/04/585764504.db2.gz GTPAVVWPMQYCSS-NXEZZACHSA-N 1 0 224.308 0.726 20 30 BCEDRO Cc1n[nH]c(C)c1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779794174 585764528 /nfs/dbraw/zinc/76/45/28/585764528.db2.gz DEGVCMJPTBXCCZ-LURJTMIESA-N 1 0 220.280 0.298 20 30 BCEDRO Cc1nn(C)c(C)c1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779801255 585764545 /nfs/dbraw/zinc/76/45/45/585764545.db2.gz STOGANLBKDGRII-SSDOTTSWSA-N 1 0 234.307 0.308 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=C2COc3ccc(F)cc32)N1 ZINC000779799882 585764804 /nfs/dbraw/zinc/76/48/04/585764804.db2.gz YIDCWYUALICHHM-ZETCQYMHSA-N 1 0 248.261 0.860 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cn3ccccc3n2)N1 ZINC000779801801 585764932 /nfs/dbraw/zinc/76/49/32/585764932.db2.gz XUEPDFGXPLENGO-VIFPVBQESA-N 1 0 242.286 0.606 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CC1(C#N)CC1)[C@H]1CCCO1 ZINC000859257427 589025370 /nfs/dbraw/zinc/02/53/70/589025370.db2.gz BBBRUDSTRLQOEV-RWMBFGLXSA-N 1 0 248.326 0.812 20 30 BCEDRO C[C@@H]1CC(N=Nc2ccncc2)C[N@@H+]1C ZINC000779810026 585766201 /nfs/dbraw/zinc/76/62/01/585766201.db2.gz XWESYSAKQUWHKC-SECBINFHSA-N 1 0 204.277 0.995 20 30 BCEDRO Nc1ncc(C=NNCC[NH+]2CCCCC2)cn1 ZINC000781589932 585800001 /nfs/dbraw/zinc/80/00/01/585800001.db2.gz RGAVQCYZMAHVIG-UHFFFAOYSA-N 1 0 248.334 0.468 20 30 BCEDRO C#CCC[N@@H+]1CCN(CCO)C(C)(C)C1 ZINC000781960465 585805945 /nfs/dbraw/zinc/80/59/45/585805945.db2.gz JRILMLYKFAGNOU-UHFFFAOYSA-N 1 0 210.321 0.398 20 30 BCEDRO C[NH+]1CCC(NC(=S)NCCCC#N)CC1 ZINC000783757122 585842134 /nfs/dbraw/zinc/84/21/34/585842134.db2.gz ONWLBJDIEIWZJQ-UHFFFAOYSA-N 1 0 240.376 0.848 20 30 BCEDRO NC(=[NH2+])NN=C1CCC(=O)Nc2ccccc21 ZINC000783823238 585844186 /nfs/dbraw/zinc/84/41/86/585844186.db2.gz DBKHOIVGEQAKCV-UHFFFAOYSA-N 1 0 231.259 0.606 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@]1(C)CCO[C@H]1C1CC1 ZINC000784592618 585864263 /nfs/dbraw/zinc/86/42/63/585864263.db2.gz KRRNXPGNDIHRAY-STQMWFEESA-N 1 0 236.315 0.283 20 30 BCEDRO C#CCOCCNC(=O)[C@@H](CC)[NH+](CC)CC ZINC000784602365 585864485 /nfs/dbraw/zinc/86/44/85/585864485.db2.gz YUZNSRIIJWFSHT-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CCOCCNC(=O)[C@H](CC)[NH+](CC)CC ZINC000784602366 585864648 /nfs/dbraw/zinc/86/46/48/585864648.db2.gz YUZNSRIIJWFSHT-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000785546048 585875531 /nfs/dbraw/zinc/87/55/31/585875531.db2.gz KXQPQDGMRVKUCN-TUAOUCFPSA-N 1 0 238.331 0.217 20 30 BCEDRO N#C[C@@]1(F)CCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000786435095 585891402 /nfs/dbraw/zinc/89/14/02/585891402.db2.gz CFERCFQQGXIRKN-NEPJUHHUSA-N 1 0 241.310 0.381 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cnn(C(C)C)c1C ZINC000787152090 585902097 /nfs/dbraw/zinc/90/20/97/585902097.db2.gz PVVFUAGZJNHXBI-UHFFFAOYSA-N 1 0 222.296 0.979 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1CC[C@H](C(=O)OC)[C@@H]1C ZINC000787324760 585906938 /nfs/dbraw/zinc/90/69/38/585906938.db2.gz MCNQZROMYRXMHP-DCAQKATOSA-N 1 0 227.304 0.807 20 30 BCEDRO N#CCCNC(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000787371881 585908267 /nfs/dbraw/zinc/90/82/67/585908267.db2.gz XCICOJXRPOYPSA-NSHDSACASA-N 1 0 236.319 0.684 20 30 BCEDRO C[C@@H]1CC(NC(=O)[C@@H]2CCC[N@@H+]2C2CC2)=NO1 ZINC000787477356 585909972 /nfs/dbraw/zinc/90/99/72/585909972.db2.gz CSMGPGYRNGRFHX-SCZZXKLOSA-N 1 0 237.303 0.852 20 30 BCEDRO C[C@@H](CO)NN=C1CCC[C@@H]([NH+](C)C)C1 ZINC000788434003 585923081 /nfs/dbraw/zinc/92/30/81/585923081.db2.gz PRBAVMMXXRPWIX-GXSJLCMTSA-N 1 0 213.325 0.817 20 30 BCEDRO C[NH+](C)[C@@H]1CCCC(=NOCC(N)=O)C1 ZINC000788437813 585923343 /nfs/dbraw/zinc/92/33/43/585923343.db2.gz VOPLRFQQOKJKRG-SECBINFHSA-N 1 0 213.281 0.349 20 30 BCEDRO C1C[C@@H]2C(N=N[C@H]3CCOC3)CC[N@@H+]2C1 ZINC000788447589 585924103 /nfs/dbraw/zinc/92/41/03/585924103.db2.gz OKNIQXWCOXMRNG-GXSJLCMTSA-N 1 0 209.293 0.589 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ccccc2C(N)=O)N1 ZINC000788725621 585929603 /nfs/dbraw/zinc/92/96/03/585929603.db2.gz KPVREQDTMAXNEK-MRVPVSSYSA-N 1 0 245.286 0.057 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)CC1(C#N)CCOCC1 ZINC000859276582 589026842 /nfs/dbraw/zinc/02/68/42/589026842.db2.gz ZXVLNHFSKIBOKI-LBPRGKRZSA-N 1 0 236.315 0.623 20 30 BCEDRO C=C(CO)C(=O)NCc1cccc(C[NH+](C)C)c1 ZINC000791315206 585977153 /nfs/dbraw/zinc/97/71/53/585977153.db2.gz DWGPNCHDDFJGPS-UHFFFAOYSA-N 1 0 248.326 0.913 20 30 BCEDRO C=C(CO)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000791347941 585978287 /nfs/dbraw/zinc/97/82/87/585978287.db2.gz AFCKAHVLFRAXDM-VIFPVBQESA-N 1 0 212.293 0.134 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](C)C[S@@](C)=O ZINC000791393187 585978730 /nfs/dbraw/zinc/97/87/30/585978730.db2.gz AKILQZDPHJAEQZ-QLJPJBMISA-N 1 0 246.376 0.330 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@H]1CC[N@@H+](C)C[C@@H]1C ZINC000791370890 585979203 /nfs/dbraw/zinc/97/92/03/585979203.db2.gz SHKLEKMZJWQPBC-ONGXEEELSA-N 1 0 226.320 0.334 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@@H]1CC[N@@H+](C)C[C@@H]1C ZINC000791370887 585979396 /nfs/dbraw/zinc/97/93/96/585979396.db2.gz SHKLEKMZJWQPBC-GXSJLCMTSA-N 1 0 226.320 0.334 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C[C@@H]1CCC[C@H]1O ZINC000791388599 585980058 /nfs/dbraw/zinc/98/00/58/585980058.db2.gz AMTJEMQYDVIIKA-NWDGAFQWSA-N 1 0 240.347 0.724 20 30 BCEDRO NC(=O)[C@@H]1CC[N@H+](CC#Cc2ccccc2)C1 ZINC000792217282 585997955 /nfs/dbraw/zinc/99/79/55/585997955.db2.gz MPQVQZQPZTXRRZ-CYBMUJFWSA-N 1 0 228.295 0.845 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCCC[C@H]1CCO ZINC000792924336 586006981 /nfs/dbraw/zinc/00/69/81/586006981.db2.gz HOPVZBKNDLBNGA-LBPRGKRZSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000792926605 586007168 /nfs/dbraw/zinc/00/71/68/586007168.db2.gz MXMSCHNBGOWBBV-NWDGAFQWSA-N 1 0 236.315 0.379 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)c1cc(C)nn1C ZINC000793545015 586022627 /nfs/dbraw/zinc/02/26/27/586022627.db2.gz RHMAJUDNDMLIIH-JTQLQIEISA-N 1 0 236.319 0.681 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CO)C1CCCC1 ZINC000794174400 586033714 /nfs/dbraw/zinc/03/37/14/586033714.db2.gz YGVBSGPBCDTMGA-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=C2CCCc3nn(C)cc32)N1 ZINC000794529916 586042228 /nfs/dbraw/zinc/04/22/28/586042228.db2.gz HJIHANGKJFXVPQ-QMMMGPOBSA-N 1 0 246.318 0.398 20 30 BCEDRO CO[C@@H]1CCCC(=NNC2=[NH+][C@H](C)CN2)C1 ZINC000794530381 586042303 /nfs/dbraw/zinc/04/23/03/586042303.db2.gz LLLPOFPMYMUXNP-PSASIEDQSA-N 1 0 224.308 0.869 20 30 BCEDRO COC(=O)[C@H]1CCCC(=[NH+]n2cnnc2)C1 ZINC000794857579 586050625 /nfs/dbraw/zinc/05/06/25/586050625.db2.gz VVWYGWUNVCOUJH-QMMMGPOBSA-N 1 0 222.248 0.845 20 30 BCEDRO C[C@@H]1COC(=O)C1=NNCC[NH+]1CCCCC1 ZINC000794897963 586054074 /nfs/dbraw/zinc/05/40/74/586054074.db2.gz WAJLZNKRDCZHMJ-SNVBAGLBSA-N 1 0 239.319 0.611 20 30 BCEDRO C[C@@H]1CNC(NN=C2CSC[C@H]2C)=[NH+]1 ZINC000794927718 586055660 /nfs/dbraw/zinc/05/56/60/586055660.db2.gz PREAOIOLXBJSAY-RNFRBKRXSA-N 1 0 212.322 0.663 20 30 BCEDRO C=CCNN=C1CC[NH+](CCC(=O)OC)CC1 ZINC000794998612 586063515 /nfs/dbraw/zinc/06/35/15/586063515.db2.gz OKQHQYCZUBSCKW-UHFFFAOYSA-N 1 0 239.319 0.777 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2ccnc(C)n2)CC1 ZINC000796450183 586103789 /nfs/dbraw/zinc/10/37/89/586103789.db2.gz QGTSSQHTRCOJFW-UHFFFAOYSA-N 1 0 244.342 0.926 20 30 BCEDRO C#CCCC[N@@H+](CCO)[C@@H]1CCO[C@H]1C ZINC000796579502 586107397 /nfs/dbraw/zinc/10/73/97/586107397.db2.gz NHLJUYOQZQKJSE-NWDGAFQWSA-N 1 0 211.305 0.872 20 30 BCEDRO C#Cc1cncc(C(=O)NCCC[NH+](C)C)c1 ZINC000798272624 586142100 /nfs/dbraw/zinc/14/21/00/586142100.db2.gz YARPRAKZTRVLOD-UHFFFAOYSA-N 1 0 231.299 0.744 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CC(C)=O ZINC000798301069 586142587 /nfs/dbraw/zinc/14/25/87/586142587.db2.gz NILHKWXJQOQPIG-SECBINFHSA-N 1 0 212.293 0.588 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)C[NH+](CC)CC ZINC000799079537 586155995 /nfs/dbraw/zinc/15/59/95/586155995.db2.gz PTOIOIHESBEKQI-LLVKDONJSA-N 1 0 226.320 0.219 20 30 BCEDRO Cc1ccc(NNC2=CC(=O)N3CCC[C@H]23)[nH+]n1 ZINC000799479857 586178780 /nfs/dbraw/zinc/17/87/80/586178780.db2.gz JOMAGCJBINDVAE-SNVBAGLBSA-N 1 0 245.286 0.948 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=Cc2ncc(Cl)n2C)N1 ZINC000799486044 586179712 /nfs/dbraw/zinc/17/97/12/586179712.db2.gz XXBFXLRFCRFEBP-ZCFIWIBFSA-N 1 0 240.698 0.345 20 30 BCEDRO C#CCCN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000800374257 586213536 /nfs/dbraw/zinc/21/35/36/586213536.db2.gz MGVFGTWHLOQFMC-RYUDHWBXSA-N 1 0 210.321 0.397 20 30 BCEDRO C#CCCN1CC[N@@H+](C[C@H](C)O)C[C@H]1C ZINC000800374255 586213580 /nfs/dbraw/zinc/21/35/80/586213580.db2.gz MGVFGTWHLOQFMC-NEPJUHHUSA-N 1 0 210.321 0.397 20 30 BCEDRO C#CCC[NH+]1CCN([C@@H](C=C)C(=O)OC)CC1 ZINC000800367193 586214391 /nfs/dbraw/zinc/21/43/91/586214391.db2.gz UDRUIPLSSGCQMX-LBPRGKRZSA-N 1 0 236.315 0.355 20 30 BCEDRO CCc1oc(C=NNC(N)=[NH2+])cc1C(=O)OC ZINC000800809642 586230557 /nfs/dbraw/zinc/23/05/57/586230557.db2.gz DRCQTQYPUKUHAZ-UHFFFAOYSA-N 1 0 238.247 0.446 20 30 BCEDRO CC#CC(=O)NCC[NH+]1CCC(OC)CC1 ZINC000801166937 586244593 /nfs/dbraw/zinc/24/45/93/586244593.db2.gz NMDHIILMPBISFT-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO CC#CC(=O)NCCN1CC[N@H+](C)C(C)(C)C1 ZINC000801304923 586252838 /nfs/dbraw/zinc/25/28/38/586252838.db2.gz QUPXCDLEAMWDDB-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO N#CCOC(=O)C1CC[NH+](C2CC2)CC1 ZINC000801870903 586276023 /nfs/dbraw/zinc/27/60/23/586276023.db2.gz JLCPPKWSAFNIMX-UHFFFAOYSA-N 1 0 208.261 0.928 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000801921645 586277360 /nfs/dbraw/zinc/27/73/60/586277360.db2.gz IJARDMXDQRJOKU-VXGBXAGGSA-N 1 0 242.319 0.388 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H](OCCO)C1 ZINC000801921642 586277792 /nfs/dbraw/zinc/27/77/92/586277792.db2.gz IJARDMXDQRJOKU-NEPJUHHUSA-N 1 0 242.319 0.388 20 30 BCEDRO COC(=O)C[C@H]([NH2+]CCO[C@@H](C)C#N)C1CC1 ZINC000801940103 586280958 /nfs/dbraw/zinc/28/09/58/586280958.db2.gz YBGQRKVCJCZYSO-ONGXEEELSA-N 1 0 240.303 0.846 20 30 BCEDRO C[C@@H](C#N)OCCN1CC[N@H+](C)CC1(C)C ZINC000801940278 586281108 /nfs/dbraw/zinc/28/11/08/586281108.db2.gz MURCMIJDLDGPGP-NSHDSACASA-N 1 0 225.336 0.941 20 30 BCEDRO C#C[C@H]([NH2+]CCc1ccnn1C)[C@@H]1CCCO1 ZINC000801943472 586281419 /nfs/dbraw/zinc/28/14/19/586281419.db2.gz WGHDBTOBCXZONZ-STQMWFEESA-N 1 0 233.315 0.733 20 30 BCEDRO C[C@H](C#N)OCCN1CCO[C@]2(CCOC2)C1 ZINC000801942407 586281465 /nfs/dbraw/zinc/28/14/65/586281465.db2.gz QTRCRGIXPBRWQA-VXGBXAGGSA-N 1 0 240.303 0.406 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](CCO)C1CCOCC1 ZINC000801946600 586281577 /nfs/dbraw/zinc/28/15/77/586281577.db2.gz LBYSUAOWMJNGIU-LLVKDONJSA-N 1 0 242.319 0.388 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000801952230 586282327 /nfs/dbraw/zinc/28/23/27/586282327.db2.gz QEZCLXDGKLIGML-JQWIXIFHSA-N 1 0 237.303 0.127 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CC1(C)COC1 ZINC000859571710 589045750 /nfs/dbraw/zinc/04/57/50/589045750.db2.gz LIABFEVFXMLVID-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO COC[C@H](C#N)OC(=O)[C@H](C(C)C)[NH+](C)C ZINC000803697321 586369772 /nfs/dbraw/zinc/36/97/72/586369772.db2.gz YUTFSDCNJPPOFC-UWVGGRQHSA-N 1 0 228.292 0.654 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1(COC)CCC1 ZINC000803732569 586371846 /nfs/dbraw/zinc/37/18/46/586371846.db2.gz BYBAEMOEVPACBX-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CSC[C@H]1C ZINC000804499682 586397648 /nfs/dbraw/zinc/39/76/48/586397648.db2.gz GOWAHBPIHMXDHF-ZJUUUORDSA-N 1 0 228.361 0.972 20 30 BCEDRO C=C(CO)C(=O)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000804527727 586398515 /nfs/dbraw/zinc/39/85/15/586398515.db2.gz SAVWIEWKFFSUAZ-VXGBXAGGSA-N 1 0 238.331 0.620 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)N[C@@H](C)C[NH+](C)C ZINC000807576706 586446792 /nfs/dbraw/zinc/44/67/92/586446792.db2.gz WHCYTYVMDVVUFH-WDEREUQCSA-N 1 0 241.335 0.010 20 30 BCEDRO CC(C)n1cc(C=NNC2=[NH+]C[C@H](C)N2)nn1 ZINC000807981867 586454717 /nfs/dbraw/zinc/45/47/17/586454717.db2.gz TTZBINCKBWJFOJ-QMMMGPOBSA-N 1 0 235.295 0.130 20 30 BCEDRO c1nc(N=NC2CC[N@@H+]3CCC[C@@H]23)n[nH]1 ZINC000807996210 586456252 /nfs/dbraw/zinc/45/62/52/586456252.db2.gz WAOVFBOFWRXKIJ-QMMMGPOBSA-N 1 0 206.253 0.441 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCS[C@H]2COCC[C@H]21 ZINC000809576538 586507534 /nfs/dbraw/zinc/50/75/34/586507534.db2.gz CGLWQIDXHZXUJJ-MXWKQRLJSA-N 1 0 242.344 0.467 20 30 BCEDRO CCC[C@]1(C)C(=O)NCCN1C[C@H](O)CC#N ZINC000809578770 586508046 /nfs/dbraw/zinc/50/80/46/586508046.db2.gz QKLKRXCUGNSVEA-ZYHUDNBSSA-N 1 0 239.319 0.252 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCc2ccccc2[C@@H]1CO ZINC000809575923 586508061 /nfs/dbraw/zinc/50/80/61/586508061.db2.gz GORSFFZVGZSAIW-OCCSQVGLSA-N 1 0 246.310 0.853 20 30 BCEDRO Cc1nnc([C@@H]2CCC[N@H+](C[C@H](O)CC#N)C2)[nH]1 ZINC000809578851 586508069 /nfs/dbraw/zinc/50/80/69/586508069.db2.gz SIYBZHKLSIXUIM-GHMZBOCLSA-N 1 0 249.318 0.567 20 30 BCEDRO CON=CC(=O)NC[C@@H](C1CC1)[NH+](C)C ZINC000809616583 586509411 /nfs/dbraw/zinc/50/94/11/586509411.db2.gz ZGBGNOFNZRQWTN-VIFPVBQESA-N 1 0 213.281 0.075 20 30 BCEDRO CON=CC(=O)N1CCC[C@@H]([NH+]2CCCC2)C1 ZINC000809615686 586509626 /nfs/dbraw/zinc/50/96/26/586509626.db2.gz KIWHYBFPDYLCKC-LLVKDONJSA-N 1 0 239.319 0.705 20 30 BCEDRO CC[NH+](CC)C[C@@H](C)NC(=O)C=NOC ZINC000809630106 586509673 /nfs/dbraw/zinc/50/96/73/586509673.db2.gz LQSYVNJLOSZUKO-SECBINFHSA-N 1 0 215.297 0.465 20 30 BCEDRO N#Cc1ncn(CC[NH2+]C2CC(C(F)F)C2)n1 ZINC000809706868 586513945 /nfs/dbraw/zinc/51/39/45/586513945.db2.gz MOZLVIPLSSVBMT-UHFFFAOYSA-N 1 0 241.245 0.783 20 30 BCEDRO CON=CC(=O)N1C[C@@H](SC)[C@@H]([NH+](C)C)C1 ZINC000809737857 586515894 /nfs/dbraw/zinc/51/58/94/586515894.db2.gz NCYPYFRYUVQRRS-DTWKUNHWSA-N 1 0 245.348 0.123 20 30 BCEDRO CON=CC(=O)N1C[C@@H](SC)[C@H]([NH+](C)C)C1 ZINC000809737859 586515914 /nfs/dbraw/zinc/51/59/14/586515914.db2.gz NCYPYFRYUVQRRS-RKDXNWHRSA-N 1 0 245.348 0.123 20 30 BCEDRO CON=CC(=O)N1C[C@H](C)[N@H+](C)C[C@@H]1C ZINC000809744032 586516686 /nfs/dbraw/zinc/51/66/86/586516686.db2.gz RDZZSXNVNBPGMS-IUCAKERBSA-N 1 0 213.281 0.170 20 30 BCEDRO CON=CC(=O)N(C)CC1([NH+](C)C)CCC1 ZINC000809793102 586520678 /nfs/dbraw/zinc/52/06/78/586520678.db2.gz QZXSTEOOGNBPGG-UHFFFAOYSA-N 1 0 227.308 0.561 20 30 BCEDRO C#C[C@H]([NH2+][C@H](CC)Cn1cncn1)[C@@H]1CCCO1 ZINC000810236316 586537119 /nfs/dbraw/zinc/53/71/19/586537119.db2.gz CHORMJJPYDRTEW-AGIUHOORSA-N 1 0 248.330 0.827 20 30 BCEDRO C#C[C@H]([NH2+][C@H](CC)Cn1cncn1)[C@H]1CCCO1 ZINC000810236318 586537166 /nfs/dbraw/zinc/53/71/66/586537166.db2.gz CHORMJJPYDRTEW-FRRDWIJNSA-N 1 0 248.330 0.827 20 30 BCEDRO CN(C)c1ncc(C=[NH+]N[C@@H]2CCOC2)n1C ZINC000811649760 586562827 /nfs/dbraw/zinc/56/28/27/586562827.db2.gz WQRKCHVHULVCJK-SECBINFHSA-N 1 0 237.307 0.199 20 30 BCEDRO CC[C@H](O)CN[NH+]=Cc1cnccc1N(C)C ZINC000811652833 586563644 /nfs/dbraw/zinc/56/36/44/586563644.db2.gz ZGBPJNVKHUBSIP-NSHDSACASA-N 1 0 236.319 0.842 20 30 BCEDRO CC[C@H](O)CNN=C1CC[N@H+](C)[C@H](C)C1 ZINC000811655887 586563830 /nfs/dbraw/zinc/56/38/30/586563830.db2.gz BLVGJJBALLZIIO-KOLCDFICSA-N 1 0 213.325 0.817 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CCC[N@H+](C)C1 ZINC000812011064 586569413 /nfs/dbraw/zinc/56/94/13/586569413.db2.gz PMSQGRXEEQUGMB-SNVBAGLBSA-N 1 0 209.293 0.355 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000812011205 586569529 /nfs/dbraw/zinc/56/95/29/586569529.db2.gz REIYBVUIGOLSLD-MNOVXSKESA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000812011206 586569577 /nfs/dbraw/zinc/56/95/77/586569577.db2.gz REIYBVUIGOLSLD-QWRGUYRKSA-N 1 0 223.320 0.744 20 30 BCEDRO C#CCN(C)C(=O)N[C@H]1CC[N@H+](CC2CC2)C1 ZINC000812052200 586569759 /nfs/dbraw/zinc/56/97/59/586569759.db2.gz PFJORVYMCOVVRL-LBPRGKRZSA-N 1 0 235.331 0.745 20 30 BCEDRO Cc1nc(N2CCC([NH3+])(CO)CC2)ccc1C#N ZINC000813594785 586604068 /nfs/dbraw/zinc/60/40/68/586604068.db2.gz RPFIOKCHECSYNN-UHFFFAOYSA-N 1 0 246.314 0.552 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@@H](C)C[NH+](C)C)cn1 ZINC000814136596 586614352 /nfs/dbraw/zinc/61/43/52/586614352.db2.gz DECGNBCEIAHQNX-LLVKDONJSA-N 1 0 245.326 0.990 20 30 BCEDRO Cc1nnsc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000814225436 586618167 /nfs/dbraw/zinc/61/81/67/586618167.db2.gz HODVNAKTVFWEHE-YFKPBYRVSA-N 1 0 224.293 0.118 20 30 BCEDRO CN(C)c1ncc(C=[NH+][N-]c2cccnn2)cn1 ZINC000814852986 586638903 /nfs/dbraw/zinc/63/89/03/586638903.db2.gz WXEKSKRTHLBYJV-UHFFFAOYSA-N 1 0 243.274 0.779 20 30 BCEDRO C[C@H]1CNC(NN=C2CCCSC2)=[NH+]1 ZINC000814897211 586645272 /nfs/dbraw/zinc/64/52/72/586645272.db2.gz GXHQMZPGQMCHHM-ZETCQYMHSA-N 1 0 212.322 0.807 20 30 BCEDRO COc1cc(C(C)=NNC2=[NH+]C[C@H](C)N2)on1 ZINC000814897284 586645322 /nfs/dbraw/zinc/64/53/22/586645322.db2.gz HBELLMHJEYKVDY-LURJTMIESA-N 1 0 237.263 0.345 20 30 BCEDRO C[C@H]1SCCC1=NNC1=[NH+][C@@H](C)CN1 ZINC000814897814 586645770 /nfs/dbraw/zinc/64/57/70/586645770.db2.gz NDHVSXXZIGHYIC-NKWVEPMBSA-N 1 0 212.322 0.805 20 30 BCEDRO COCCCNN=C1CCCc2nc(N)ncc21 ZINC000814920593 586651101 /nfs/dbraw/zinc/65/11/01/586651101.db2.gz QYKATBVRMUHTJC-UHFFFAOYSA-N 1 0 249.318 0.725 20 30 BCEDRO CC(N=Nc1nc[nH]n1)C1CC[NH+](C)CC1 ZINC000814931683 586653300 /nfs/dbraw/zinc/65/33/00/586653300.db2.gz AMKPQPDCJRNGNZ-UHFFFAOYSA-N 1 0 222.296 0.934 20 30 BCEDRO CC[N@@H+]1CCC(=NNC[C@H](C)O)[C@@H](C)C1 ZINC000814966506 586661883 /nfs/dbraw/zinc/66/18/83/586661883.db2.gz MZRIPJKITCJYJQ-UWVGGRQHSA-N 1 0 213.325 0.675 20 30 BCEDRO CC[N@H+](CC(=O)NC)[C@H]1CC[C@@H](C#N)C1 ZINC000815020919 586664281 /nfs/dbraw/zinc/66/42/81/586664281.db2.gz HBPMISWGDMBEDX-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO CCO[C@@H]1COCC[C@@H]1[NH2+]CCOCCC#N ZINC000815095061 586666193 /nfs/dbraw/zinc/66/61/93/586666193.db2.gz LKDYACQKDVPLRG-NWDGAFQWSA-N 1 0 242.319 0.700 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(F)(F)CC1 ZINC000815105348 586666760 /nfs/dbraw/zinc/66/67/60/586666760.db2.gz AZWZXCXKKFTJOE-UHFFFAOYSA-N 1 0 230.258 0.857 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccnc(C)n1 ZINC000815122561 586667978 /nfs/dbraw/zinc/66/79/78/586667978.db2.gz OBWYHRBTWBSVDR-UHFFFAOYSA-N 1 0 232.287 0.014 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C1CC1)C(C)(C)CO ZINC000815250851 586675863 /nfs/dbraw/zinc/67/58/63/586675863.db2.gz WORITAACOOWUSP-GFCCVEGCSA-N 1 0 238.331 0.123 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H](C)[N@@H+]1CCC[C@@H](C)C1 ZINC000816871742 586768835 /nfs/dbraw/zinc/76/88/35/586768835.db2.gz SAFCXBXFPPGXKI-WOPDTQHZSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H](C)[N@@H+]1CCC[C@H](C)C1 ZINC000816871740 586769077 /nfs/dbraw/zinc/76/90/77/586769077.db2.gz SAFCXBXFPPGXKI-TUAOUCFPSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1snnc1C ZINC000817019914 586779051 /nfs/dbraw/zinc/77/90/51/586779051.db2.gz AMMHKMSWMUZCOE-UHFFFAOYSA-N 1 0 240.332 0.581 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC1(CCO)CC1 ZINC000817132036 586783295 /nfs/dbraw/zinc/78/32/95/586783295.db2.gz CTCQWLNXTSLYNS-UHFFFAOYSA-N 1 0 212.293 0.135 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCN[C@@H]1C(=O)OCC ZINC000817921636 586839897 /nfs/dbraw/zinc/83/98/97/586839897.db2.gz FLPGXLLJUZVXNR-MNOVXSKESA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@]2(CCC[NH2+]2)C1 ZINC000818018753 586865122 /nfs/dbraw/zinc/86/51/22/586865122.db2.gz SNBSORZUGZBJSE-CYBMUJFWSA-N 1 0 238.331 0.934 20 30 BCEDRO C#CC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000818169855 586877902 /nfs/dbraw/zinc/87/79/02/586877902.db2.gz IJGVTVFEPZNTIS-LBPRGKRZSA-N 1 0 206.289 0.564 20 30 BCEDRO CON=CC(=O)N1CC[C@@]2(C1)CCC[N@H+](C)C2 ZINC000818179383 586879234 /nfs/dbraw/zinc/87/92/34/586879234.db2.gz ZRRHWFKTFMIPIW-LBPRGKRZSA-N 1 0 239.319 0.563 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H](C)CCO)nn1 ZINC000818346711 586887436 /nfs/dbraw/zinc/88/74/36/586887436.db2.gz NCPHOHXSOMGKQN-SECBINFHSA-N 1 0 210.281 0.325 20 30 BCEDRO C=C(Cl)C[N@@H+](C)[C@H]1C[C@@H](C(N)=O)C1 ZINC000859959290 589074105 /nfs/dbraw/zinc/07/41/05/589074105.db2.gz GFVWMWGNBFUTPP-OCAPTIKFSA-N 1 0 202.685 0.935 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)/C=C\COC ZINC000818593069 586904238 /nfs/dbraw/zinc/90/42/38/586904238.db2.gz KHUSWORPAFCSOP-ALCCZGGFSA-N 1 0 224.304 0.260 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)C1=COCC1 ZINC000818599323 586904951 /nfs/dbraw/zinc/90/49/51/586904951.db2.gz JIZPQNBAGXTDMC-UHFFFAOYSA-N 1 0 222.288 0.362 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818612561 586906764 /nfs/dbraw/zinc/90/67/64/586906764.db2.gz SMCLYAGZCNDWFE-LBPRGKRZSA-N 1 0 224.304 0.544 20 30 BCEDRO N#Cc1ccc(NCC[NH2+]C[C@H](O)C2CC2)nc1 ZINC000818952168 586917284 /nfs/dbraw/zinc/91/72/84/586917284.db2.gz GZPNBEUDRRNZBL-LBPRGKRZSA-N 1 0 246.314 0.726 20 30 BCEDRO C#CCSCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000819092875 586930008 /nfs/dbraw/zinc/93/00/08/586930008.db2.gz GLTDAVXFRUREFU-VIFPVBQESA-N 1 0 235.374 0.376 20 30 BCEDRO C#CCCCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000819156626 586934009 /nfs/dbraw/zinc/93/40/09/586934009.db2.gz JHFFLGACSGDMEF-JTQLQIEISA-N 1 0 217.334 0.813 20 30 BCEDRO C=C(C)COCC[NH2+]CCC(=O)N(C)OC ZINC000819162023 586934578 /nfs/dbraw/zinc/93/45/78/586934578.db2.gz NWSHKWAEUDVMLQ-UHFFFAOYSA-N 1 0 230.308 0.579 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cc(C)ncn1 ZINC000819188417 586936478 /nfs/dbraw/zinc/93/64/78/586936478.db2.gz GOWCHQPVARFFBT-UHFFFAOYSA-N 1 0 232.287 0.014 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)c1ccccc1 ZINC000819224955 586940460 /nfs/dbraw/zinc/94/04/60/586940460.db2.gz RMAWMJROHVCHHJ-ZDUSSCGKSA-N 1 0 219.284 0.959 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)CCOC(C)C ZINC000819231284 586941169 /nfs/dbraw/zinc/94/11/69/586941169.db2.gz SNTUVMKXXLFSET-GFCCVEGCSA-N 1 0 229.320 0.402 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)CCOC(C)C ZINC000819231285 586941445 /nfs/dbraw/zinc/94/14/45/586941445.db2.gz SNTUVMKXXLFSET-LBPRGKRZSA-N 1 0 229.320 0.402 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](C)S(C)(=O)=O)[C@H]1CCCO1 ZINC000819242086 586942405 /nfs/dbraw/zinc/94/24/05/586942405.db2.gz JKLLPOCZNIUKIK-GARJFASQSA-N 1 0 245.344 0.190 20 30 BCEDRO C=CCn1cc(C[NH2+]C[C@H](O)C2CC2)nn1 ZINC000819381311 586959537 /nfs/dbraw/zinc/95/95/37/586959537.db2.gz AGIKYUZLHYUPMZ-NSHDSACASA-N 1 0 222.292 0.325 20 30 BCEDRO C=CCn1cc(CNC(=O)C(=C)C[NH+](C)C)nn1 ZINC000819605986 586981146 /nfs/dbraw/zinc/98/11/46/586981146.db2.gz KFQRROLPGPLIPZ-UHFFFAOYSA-N 1 0 249.318 0.198 20 30 BCEDRO OCC[NH+]1CCC(N=Nc2ccccn2)CC1 ZINC000819806645 586996117 /nfs/dbraw/zinc/99/61/17/586996117.db2.gz UOWWUPIXNNEIQF-UHFFFAOYSA-N 1 0 234.303 0.938 20 30 BCEDRO OCC[NH+]1CCC(N=Nc2cccnn2)CC1 ZINC000819808879 586996635 /nfs/dbraw/zinc/99/66/35/586996635.db2.gz XGXRRXMCBPYUGT-UHFFFAOYSA-N 1 0 235.291 0.333 20 30 BCEDRO OCC[NH+]1CCC(=NOC2CCOCC2)CC1 ZINC000819810037 586996646 /nfs/dbraw/zinc/99/66/46/586996646.db2.gz WLRLDOVVHCPIAI-UHFFFAOYSA-N 1 0 242.319 0.626 20 30 BCEDRO C=CCn1cc(CNc2cc(C)[nH+]c(N)n2)nn1 ZINC000819935477 587003351 /nfs/dbraw/zinc/00/33/51/587003351.db2.gz CEVOWKCNFSEMTA-UHFFFAOYSA-N 1 0 245.290 0.757 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@@H](CC)[NH+](CC)CC ZINC000820065122 587017258 /nfs/dbraw/zinc/01/72/58/587017258.db2.gz UCCAHYPNBIQXJI-NWDGAFQWSA-N 1 0 240.347 0.607 20 30 BCEDRO C#CCNC(=O)NC1C[C@H]2CC[C@@H](C1)[N@H+]2C ZINC000820208058 587034722 /nfs/dbraw/zinc/03/47/22/587034722.db2.gz KTRNPTGTYXKHHX-FGWVZKOKSA-N 1 0 221.304 0.544 20 30 BCEDRO C#CCN(CC#CC)C(=O)C1(C[NH+](C)C)CC1 ZINC000820317771 587043499 /nfs/dbraw/zinc/04/34/99/587043499.db2.gz QQXJKCCFFJFGDG-UHFFFAOYSA-N 1 0 232.327 0.813 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(CC)[C@H]1CC[N@H+](C)C1 ZINC000820394702 587045716 /nfs/dbraw/zinc/04/57/16/587045716.db2.gz NTPRVVQQKNXWRZ-MNOVXSKESA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CCC[C@H]2C[N@H+](C)C[C@H]21 ZINC000820394462 587045737 /nfs/dbraw/zinc/04/57/37/587045737.db2.gz KXOVUBXAXWRXSC-SDDRHHMPSA-N 1 0 235.331 0.744 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000820394701 587045801 /nfs/dbraw/zinc/04/58/01/587045801.db2.gz NTPRVVQQKNXWRZ-GHMZBOCLSA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[N@@H+](C)C[C@@H]1CC ZINC000820401063 587046355 /nfs/dbraw/zinc/04/63/55/587046355.db2.gz VNISIXHNTRXMMP-MNOVXSKESA-N 1 0 223.320 0.744 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CC[C@H]([NH+]2CC=CC2)C1 ZINC000820428768 587048351 /nfs/dbraw/zinc/04/83/51/587048351.db2.gz RWAOVZHYUGFKEP-NEPJUHHUSA-N 1 0 233.315 0.664 20 30 BCEDRO C#C[C@@H](C)NC(=O)N(CCOC)CC[NH+](C)C ZINC000820436205 587049032 /nfs/dbraw/zinc/04/90/32/587049032.db2.gz UKCXDKAYWXOWRQ-LLVKDONJSA-N 1 0 241.335 0.228 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CCC(C[NH+](C)C)CC1 ZINC000820439722 587049148 /nfs/dbraw/zinc/04/91/48/587049148.db2.gz CGUYNJFVTAGJBR-LLVKDONJSA-N 1 0 237.347 0.991 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000820439580 587049161 /nfs/dbraw/zinc/04/91/61/587049161.db2.gz AOPSLXZRVJKXKL-NSHDSACASA-N 1 0 235.331 0.745 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CCC[N@H+](C)CC1 ZINC000820446702 587049546 /nfs/dbraw/zinc/04/95/46/587049546.db2.gz ODUKDMYACVZASQ-JTQLQIEISA-N 1 0 209.293 0.355 20 30 BCEDRO C#C[C@@H](C)NC(=O)N1CCC[N@H+](C)CC1 ZINC000820446704 587049644 /nfs/dbraw/zinc/04/96/44/587049644.db2.gz ODUKDMYACVZASQ-SNVBAGLBSA-N 1 0 209.293 0.355 20 30 BCEDRO N#CCSCCC[N@@H+]1C[C@@H]2C(=O)OC[C@@H]2C1 ZINC000860159276 589083281 /nfs/dbraw/zinc/08/32/81/589083281.db2.gz BUZBKFBUGBJDHV-UWVGGRQHSA-N 1 0 240.328 0.738 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc(N(C)C)s1 ZINC000821207330 587101657 /nfs/dbraw/zinc/10/16/57/587101657.db2.gz NXALQBZZXYPPEM-SECBINFHSA-N 1 0 239.344 0.683 20 30 BCEDRO CC(C)(C#N)CNC(=O)C[NH+]1CCCC1 ZINC000821820034 587140381 /nfs/dbraw/zinc/14/03/81/587140381.db2.gz JWFBBOZBZUVJOU-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCCC[NH+](CC)CC ZINC000822182168 587158291 /nfs/dbraw/zinc/15/82/91/587158291.db2.gz GFVIOTNJBIWIOX-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@H]1CCC[N@H+]1CC ZINC000822235557 587158844 /nfs/dbraw/zinc/15/88/44/587158844.db2.gz MFKZGLZFLVFBEX-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000822473560 587170435 /nfs/dbraw/zinc/17/04/35/587170435.db2.gz ZWPDKIMHRBBQCW-WDEREUQCSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000822680916 587181021 /nfs/dbraw/zinc/18/10/21/587181021.db2.gz WLXSDSDANGAKAZ-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCN(CC#N)C(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000822679144 587181082 /nfs/dbraw/zinc/18/10/82/587181082.db2.gz BHNIDMLATGOVAY-LLVKDONJSA-N 1 0 219.288 0.314 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CCC[C@@H]([NH+](C)C)C1 ZINC000823030627 587197135 /nfs/dbraw/zinc/19/71/35/587197135.db2.gz ZIKUPZXJAWZYQC-VXGBXAGGSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+](C)[C@H](C)CC ZINC000823025545 587198672 /nfs/dbraw/zinc/19/86/72/587198672.db2.gz RHUFTJSZWYMZFG-VXGBXAGGSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000823132807 587203215 /nfs/dbraw/zinc/20/32/15/587203215.db2.gz IMSRTFYCMKWVCB-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO COC(=O)C1(C#N)CC[NH+](CC[C@H](C)O)CC1 ZINC000823216617 587209097 /nfs/dbraw/zinc/20/90/97/587209097.db2.gz XLAYXMPCRWERFA-JTQLQIEISA-N 1 0 240.303 0.536 20 30 BCEDRO COC(=O)C1(C#N)CC[NH+](CC[C@@H](C)O)CC1 ZINC000823216618 587209099 /nfs/dbraw/zinc/20/90/99/587209099.db2.gz XLAYXMPCRWERFA-SNVBAGLBSA-N 1 0 240.303 0.536 20 30 BCEDRO C=CCCc1nc(N2CC[NH2+]CC2)no1 ZINC000823346567 587217173 /nfs/dbraw/zinc/21/71/73/587217173.db2.gz LFUDFROAJJMNLB-UHFFFAOYSA-N 1 0 208.265 0.598 20 30 BCEDRO CC(C)C#CC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000823662253 587235191 /nfs/dbraw/zinc/23/51/91/587235191.db2.gz BCYZQZBHSUGJIN-NSHDSACASA-N 1 0 220.316 0.999 20 30 BCEDRO C#CCCC[NH2+]Cc1nccnc1OC ZINC000823949796 587246741 /nfs/dbraw/zinc/24/67/41/587246741.db2.gz UYFIIMGRRHLONP-UHFFFAOYSA-N 1 0 205.261 0.988 20 30 BCEDRO C#CC1CCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000824036241 587250429 /nfs/dbraw/zinc/25/04/29/587250429.db2.gz JVQKJXWKXIYMFU-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)Cc1c[nH]nc1C ZINC000824056327 587252270 /nfs/dbraw/zinc/25/22/70/587252270.db2.gz ILFCRQOEISTKPB-UHFFFAOYSA-N 1 0 236.319 0.794 20 30 BCEDRO CON=CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C1(C)C ZINC000824095497 587255271 /nfs/dbraw/zinc/25/52/71/587255271.db2.gz SSGYVFJFWYRAFQ-BDAKNGLRSA-N 1 0 227.308 0.464 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@@H]1CCc2cncn2C1 ZINC000824116468 587256578 /nfs/dbraw/zinc/25/65/78/587256578.db2.gz LCAPACBZAARHHB-WDEREUQCSA-N 1 0 247.298 0.352 20 30 BCEDRO C=C[C@H](C)ONC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000824233560 587262234 /nfs/dbraw/zinc/26/22/34/587262234.db2.gz UFKGDUZRASVSIY-VHSXEESVSA-N 1 0 212.293 0.951 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000824705198 587283234 /nfs/dbraw/zinc/28/32/34/587283234.db2.gz HJZXFXQNTNLRFL-GFCCVEGCSA-N 1 0 221.304 0.844 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C1(C[NH+](C)C)CC1 ZINC000825080081 587303097 /nfs/dbraw/zinc/30/30/97/587303097.db2.gz GLMRJRXSCOFUNF-LLVKDONJSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C[C@H]1CC[N@H+](C)C1 ZINC000825080356 587303135 /nfs/dbraw/zinc/30/31/35/587303135.db2.gz NUCDYDNVUIWMIB-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)[C@@H](C)[NH+](C)C ZINC000825080710 587303309 /nfs/dbraw/zinc/30/33/09/587303309.db2.gz VGUSNPMDNMZDSF-ZJUUUORDSA-N 1 0 212.293 0.091 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(C)CCCC[NH+](C)C ZINC000826095112 587350735 /nfs/dbraw/zinc/35/07/35/587350735.db2.gz GQCWMVHPCOEXEQ-GFCCVEGCSA-N 1 0 240.347 0.825 20 30 BCEDRO C#CCO[C@H](C)C(=O)NCC[N@@H+](CC)CCC ZINC000826591468 587355966 /nfs/dbraw/zinc/35/59/66/587355966.db2.gz ZQEOHJFYQBATSW-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO Cc1cc(N2CC[C@@](O)(CC#N)C2)nc(N)[nH+]1 ZINC000826614153 587356558 /nfs/dbraw/zinc/35/65/58/587356558.db2.gz AVPWVUTWUSLASA-NSHDSACASA-N 1 0 233.275 0.222 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+]1CC[C@H](C)C1 ZINC000826722657 587360079 /nfs/dbraw/zinc/36/00/79/587360079.db2.gz UXYUZMICFRFIHH-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC(=O)NC[C@@H]1c2ccccc2CN1C ZINC000826729967 587360150 /nfs/dbraw/zinc/36/01/50/587360150.db2.gz LCXRZUFYAXQLRW-GFCCVEGCSA-N 1 0 214.268 0.923 20 30 BCEDRO C#Cc1ccc(C[NH+]2CCC(O)(CO)CC2)cc1 ZINC000827147773 587371288 /nfs/dbraw/zinc/37/12/88/587371288.db2.gz WTEOVMJMRLZUKW-UHFFFAOYSA-N 1 0 245.322 0.987 20 30 BCEDRO CON=CC(=O)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000827265349 587374755 /nfs/dbraw/zinc/37/47/55/587374755.db2.gz HDTXGLDDOXJYPL-UWVGGRQHSA-N 1 0 225.292 0.171 20 30 BCEDRO C#Cc1cnc(N2CC[NH+](C(C)C)CC2)nc1 ZINC000827367609 587378504 /nfs/dbraw/zinc/37/85/04/587378504.db2.gz CIGBFBXZPPOZSR-UHFFFAOYSA-N 1 0 230.315 0.988 20 30 BCEDRO CC#CC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000827491122 587382922 /nfs/dbraw/zinc/38/29/22/587382922.db2.gz MJQKFHYDTYNRKY-LLVKDONJSA-N 1 0 208.305 0.808 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC(CC[NH+](C)C)CC1 ZINC000827549970 587387039 /nfs/dbraw/zinc/38/70/39/587387039.db2.gz ZKUJYCIQCRHHRK-GFCCVEGCSA-N 1 0 240.347 0.724 20 30 BCEDRO C#C[C@H]([NH2+]Cc1cnn(C)c1)C1CCOCC1 ZINC000827575747 587389500 /nfs/dbraw/zinc/38/95/00/587389500.db2.gz UVHQGRSCMQYCGV-ZDUSSCGKSA-N 1 0 233.315 0.938 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1ccnn1C)C1CCOCC1 ZINC000827570127 587389507 /nfs/dbraw/zinc/38/95/07/587389507.db2.gz IOIPUYTZZUOJTC-CYBMUJFWSA-N 1 0 233.315 0.938 20 30 BCEDRO C#Cc1cnc(N(C)CC[NH+](C)C)nc1 ZINC000827708720 587397753 /nfs/dbraw/zinc/39/77/53/587397753.db2.gz HRMBGBQUXFLCAA-UHFFFAOYSA-N 1 0 204.277 0.456 20 30 BCEDRO C#Cc1cnc(NC[C@](C)(O)C[NH+](C)C)nc1 ZINC000827803375 587403050 /nfs/dbraw/zinc/40/30/50/587403050.db2.gz NPTPNTPTAYNIBD-LBPRGKRZSA-N 1 0 234.303 0.182 20 30 BCEDRO CCC1(CC(=O)NCC#CC[NH+](C)C)COC1 ZINC000827971653 587414136 /nfs/dbraw/zinc/41/41/36/587414136.db2.gz CXTOZTSVKYYZCW-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO Cc1cc(CCC(=O)NCC#CC[NH+](C)C)no1 ZINC000827971659 587414185 /nfs/dbraw/zinc/41/41/85/587414185.db2.gz DECBOMFGXAFAKE-UHFFFAOYSA-N 1 0 249.314 0.597 20 30 BCEDRO C#Cc1cnc(N2C[C@@H]3C[N@H+](C)C[C@@H]3C2)nc1 ZINC000828036149 587416960 /nfs/dbraw/zinc/41/69/60/587416960.db2.gz HXIUJALEUPPPMH-TXEJJXNPSA-N 1 0 228.299 0.456 20 30 BCEDRO N#Cc1cnccc1C[NH2+][C@@H](CO)C1CC1 ZINC000828252449 587428050 /nfs/dbraw/zinc/42/80/50/587428050.db2.gz VTNOGXLRFDMZOQ-LBPRGKRZSA-N 1 0 217.272 0.814 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)c2ncc[nH]2)CC1 ZINC000828472709 587444689 /nfs/dbraw/zinc/44/46/89/587444689.db2.gz LSJXUOAKYPFRGE-UHFFFAOYSA-N 1 0 246.314 0.627 20 30 BCEDRO CC[C@@H]1[C@@H](C(=O)NC2=NO[C@H](C)C2)CC[N@@H+]1C ZINC000867062614 587501991 /nfs/dbraw/zinc/50/19/91/587501991.db2.gz GEQIRSACPUXZID-KXUCPTDWSA-N 1 0 239.319 0.955 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000829631447 587506618 /nfs/dbraw/zinc/50/66/18/587506618.db2.gz NGIHHVBUURVTMR-MNOVXSKESA-N 1 0 237.303 0.127 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](C[C@@](C)(O)C(=O)OC)C1 ZINC000829810069 587518770 /nfs/dbraw/zinc/51/87/70/587518770.db2.gz LLRQGHSJXUVVOV-WCQYABFASA-N 1 0 239.315 0.646 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H](CC[NH+](C)C)OCC ZINC000829851755 587524108 /nfs/dbraw/zinc/52/41/08/587524108.db2.gz KOTKIGHMOYDFNP-MNOVXSKESA-N 1 0 244.335 0.006 20 30 BCEDRO N#CC[C@]1(O)CC[N@@H+](C[C@H](O)C2CC2)C1 ZINC000830007021 587531939 /nfs/dbraw/zinc/53/19/39/587531939.db2.gz QEYNLLPVXBWGHS-QWRGUYRKSA-N 1 0 210.277 0.108 20 30 BCEDRO C#CCNC(=O)CN1CC[N@@H+](C2CC2)C[C@H](C)C1 ZINC000830074315 587534812 /nfs/dbraw/zinc/53/48/12/587534812.db2.gz KPZOEPIXYOWSNZ-GFCCVEGCSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CC1CC[NH+](CC(=O)NC(=O)NCC=C)CC1 ZINC000830302061 587545384 /nfs/dbraw/zinc/54/53/84/587545384.db2.gz ZNKJWLNSCFDNLT-UHFFFAOYSA-N 1 0 249.314 0.343 20 30 BCEDRO C#CC1CC[NH+](CCCN2C(=O)CNC2=O)CC1 ZINC000830321745 587545778 /nfs/dbraw/zinc/54/57/78/587545778.db2.gz ZXEUZWBAPJXKKM-UHFFFAOYSA-N 1 0 249.314 0.274 20 30 BCEDRO C=C(Cl)CN1C(=O)NC2(CC[NH2+]CC2)C1=O ZINC000830419264 587551004 /nfs/dbraw/zinc/55/10/04/587551004.db2.gz QFRFVPLWEJRIKE-UHFFFAOYSA-N 1 0 243.694 0.413 20 30 BCEDRO COCC#CCN1CC[C@@H](OC(=O)N(C)C)C1 ZINC000830509506 587555186 /nfs/dbraw/zinc/55/51/86/587555186.db2.gz KMOQVEYVMMHLSC-LLVKDONJSA-N 1 0 240.303 0.409 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](C)CC(C)(C)CO ZINC000830707545 587564787 /nfs/dbraw/zinc/56/47/87/587564787.db2.gz GBIUSYWNKFVFLC-SNVBAGLBSA-N 1 0 214.309 0.865 20 30 BCEDRO C#CCSCCNC(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000831132901 587587010 /nfs/dbraw/zinc/58/70/10/587587010.db2.gz NALTZAVAEUHVJG-ZJUUUORDSA-N 1 0 243.376 0.778 20 30 BCEDRO C#CCOCCNC(=O)NCCCCCC[NH3+] ZINC000831146067 587587729 /nfs/dbraw/zinc/58/77/29/587587729.db2.gz BXXULHRTWBEQHW-UHFFFAOYSA-N 1 0 241.335 0.455 20 30 BCEDRO C#CCN(C)C(=O)NCCCCCC[NH3+] ZINC000831288614 587595639 /nfs/dbraw/zinc/59/56/39/587595639.db2.gz ZCKPXDHUORJRCV-UHFFFAOYSA-N 1 0 211.309 0.780 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](CC)C[C@H](C)O ZINC000831310235 587597131 /nfs/dbraw/zinc/59/71/31/587597131.db2.gz GZJUWXDBBWDSAD-QWRGUYRKSA-N 1 0 228.336 0.770 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1[C@H]2CCO[C@@H]2C12CCC2 ZINC000831358672 587600716 /nfs/dbraw/zinc/60/07/16/587600716.db2.gz MGOWMMWAWRIAHY-RTXFEEFZSA-N 1 0 248.326 0.283 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](O)C(C)(C)C1 ZINC000831425592 587606050 /nfs/dbraw/zinc/60/60/50/587606050.db2.gz HZLIKXCIWQMYEL-SNVBAGLBSA-N 1 0 226.320 0.334 20 30 BCEDRO C=CCN(C(=O)[C@]1(F)CC[NH2+]C1)C1CC1 ZINC000831506007 587615583 /nfs/dbraw/zinc/61/55/83/587615583.db2.gz NSSDIDIBJGBSPI-NSHDSACASA-N 1 0 212.268 0.865 20 30 BCEDRO CC#CC(=O)NC[C@@H](C[NH+](C)C)OCC ZINC000831723875 587629225 /nfs/dbraw/zinc/62/92/25/587629225.db2.gz LEHLPMIJOCLGIK-JTQLQIEISA-N 1 0 212.293 0.093 20 30 BCEDRO C=CCn1cc(CNC(=O)C[C@H]([NH3+])C2CC2)nn1 ZINC000831748610 587630012 /nfs/dbraw/zinc/63/00/12/587630012.db2.gz HWXRDVIZBGHDDF-NSHDSACASA-N 1 0 249.318 0.208 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC1OCCO1 ZINC000831834428 587633869 /nfs/dbraw/zinc/63/38/69/587633869.db2.gz GKZZAVZPUXCNSR-ZJUUUORDSA-N 1 0 213.277 0.683 20 30 BCEDRO C#CCOCCC(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000832495779 587663785 /nfs/dbraw/zinc/66/37/85/587663785.db2.gz HDNMHRDFDMNCSX-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[C@H]2C[N@H+](C)C[C@@H]21 ZINC000832697894 587678323 /nfs/dbraw/zinc/67/83/23/587678323.db2.gz JKQWVXHKTZYMOZ-WOPDTQHZSA-N 1 0 236.315 0.187 20 30 BCEDRO CC1(C#N)CN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000834374755 587753618 /nfs/dbraw/zinc/75/36/18/587753618.db2.gz XMBHGWFHJQZVFP-LLVKDONJSA-N 1 0 223.320 0.289 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)C1CC(F)(F)C1 ZINC000834479315 587755995 /nfs/dbraw/zinc/75/59/95/587755995.db2.gz CHVFXZOUIISVCC-SFYZADRCSA-N 1 0 229.230 0.259 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1CC12CCOCC2 ZINC000834480084 587756146 /nfs/dbraw/zinc/75/61/46/587756146.db2.gz KWSHNPABNHTRRG-GMTAPVOTSA-N 1 0 249.314 0.031 20 30 BCEDRO Cc1cccnc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834479235 587756171 /nfs/dbraw/zinc/75/61/71/587756171.db2.gz BHPVJTOUNFWITO-VHSXEESVSA-N 1 0 230.271 0.231 20 30 BCEDRO Cc1cscc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834479938 587756257 /nfs/dbraw/zinc/75/62/57/587756257.db2.gz JQGVKUYNERMKRH-PSASIEDQSA-N 1 0 235.312 0.898 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(F)n1 ZINC000834479574 587756285 /nfs/dbraw/zinc/75/62/85/587756285.db2.gz GEUCNAJHLZFTPD-VXNVDRBHSA-N 1 0 234.234 0.062 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC000834481022 587756328 /nfs/dbraw/zinc/75/63/28/587756328.db2.gz ZGHPZAYTUSFGNW-NZFPMDFQSA-N 1 0 219.288 0.260 20 30 BCEDRO Cc1cc(F)cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834480460 587756345 /nfs/dbraw/zinc/75/63/45/587756345.db2.gz QGPRUJSSWCCXEI-ZYHUDNBSSA-N 1 0 247.273 0.976 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)cc1 ZINC000834483836 587756381 /nfs/dbraw/zinc/75/63/81/587756381.db2.gz AGSVFQYZAHPOAG-NEPJUHHUSA-N 1 0 240.266 0.400 20 30 BCEDRO C[C@@H]1C[C@H](C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCO1 ZINC000834485336 587756612 /nfs/dbraw/zinc/75/66/12/587756612.db2.gz VJCICROCTXRBHY-DBIOUOCHSA-N 1 0 237.303 0.029 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)Cc1ccc(N)cc1 ZINC000834485094 587756781 /nfs/dbraw/zinc/75/67/81/587756781.db2.gz RRYUKSOIMNOLNS-PWSUYJOCSA-N 1 0 244.298 0.039 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)CC1CCOCC1 ZINC000834489752 587756906 /nfs/dbraw/zinc/75/69/06/587756906.db2.gz PCIYUXHAZGCYGE-QWRGUYRKSA-N 1 0 237.303 0.031 20 30 BCEDRO Cc1ccncc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834489044 587756918 /nfs/dbraw/zinc/75/69/18/587756918.db2.gz IRFGTKQMKHGOJJ-MWLCHTKSSA-N 1 0 230.271 0.231 20 30 BCEDRO Cc1ccc(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834490330 587756956 /nfs/dbraw/zinc/75/69/56/587756956.db2.gz UEYZCRNKVOYQIY-RYUDHWBXSA-N 1 0 244.298 0.160 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CCc1ccccn1 ZINC000834494963 587757337 /nfs/dbraw/zinc/75/73/37/587757337.db2.gz RKGIAHHRCGJVAM-ZYHUDNBSSA-N 1 0 244.298 0.242 20 30 BCEDRO COCC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCC1 ZINC000834499175 587757364 /nfs/dbraw/zinc/75/73/64/587757364.db2.gz FMRYNXKJILXANK-VHSXEESVSA-N 1 0 237.303 0.031 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)CCc1ccccn1 ZINC000834494962 587757566 /nfs/dbraw/zinc/75/75/66/587757566.db2.gz RKGIAHHRCGJVAM-PWSUYJOCSA-N 1 0 244.298 0.242 20 30 BCEDRO CO[C@H](C)CCC(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834500336 587757671 /nfs/dbraw/zinc/75/76/71/587757671.db2.gz SENPHXQEOLARSK-BBBLOLIVSA-N 1 0 225.292 0.029 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)o1 ZINC000834504644 587757684 /nfs/dbraw/zinc/75/76/84/587757684.db2.gz DKQUNSDJKJDQFG-BDAKNGLRSA-N 1 0 219.244 0.429 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccc1O ZINC000834505364 587757820 /nfs/dbraw/zinc/75/78/20/587757820.db2.gz KCAJWFZZOSDTEP-SCZZXKLOSA-N 1 0 231.255 0.234 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCc1ccccc1 ZINC000834505453 587757845 /nfs/dbraw/zinc/75/78/45/587757845.db2.gz LEAMDXGPBWSMHJ-QWHCGFSZSA-N 1 0 243.310 0.847 20 30 BCEDRO COc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834505435 587757912 /nfs/dbraw/zinc/75/79/12/587757912.db2.gz KUQVKUUJFVKXOG-CMPLNLGQSA-N 1 0 245.282 0.537 20 30 BCEDRO C[C@]1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCCOC1 ZINC000834500334 587757918 /nfs/dbraw/zinc/75/79/18/587757918.db2.gz SEDDXCGXXYXUNE-SCVCMEIPSA-N 1 0 237.303 0.031 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccccc1O ZINC000834505366 587757925 /nfs/dbraw/zinc/75/79/25/587757925.db2.gz KCAJWFZZOSDTEP-WPRPVWTQSA-N 1 0 231.255 0.234 20 30 BCEDRO CCO[C@H](CC)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834500163 587757935 /nfs/dbraw/zinc/75/79/35/587757935.db2.gz QOFFOHVFGQQFIN-KXUCPTDWSA-N 1 0 225.292 0.029 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)o1 ZINC000834504645 587757962 /nfs/dbraw/zinc/75/79/62/587757962.db2.gz DKQUNSDJKJDQFG-DTWKUNHWSA-N 1 0 219.244 0.429 20 30 BCEDRO C[C@]1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CCCOC1 ZINC000834500332 587758024 /nfs/dbraw/zinc/75/80/24/587758024.db2.gz SEDDXCGXXYXUNE-FOGDFJRCSA-N 1 0 237.303 0.031 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)s1 ZINC000834506561 587758076 /nfs/dbraw/zinc/75/80/76/587758076.db2.gz UMTOOPCIYZVGBN-BDAKNGLRSA-N 1 0 235.312 0.898 20 30 BCEDRO COc1ccccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834506683 587758115 /nfs/dbraw/zinc/75/81/15/587758115.db2.gz UZVRZPCAELMRSB-KOLCDFICSA-N 1 0 245.282 0.537 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1cccc(F)c1 ZINC000834511203 587758218 /nfs/dbraw/zinc/75/82/18/587758218.db2.gz JKDXTKZOPWCPLR-GXSJLCMTSA-N 1 0 233.246 0.667 20 30 BCEDRO CCOCC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000834506305 587758285 /nfs/dbraw/zinc/75/82/85/587758285.db2.gz RVWBIGXMXPTCGK-NXEZZACHSA-N 1 0 237.303 0.031 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)s1 ZINC000834506562 587758349 /nfs/dbraw/zinc/75/83/49/587758349.db2.gz UMTOOPCIYZVGBN-DTWKUNHWSA-N 1 0 235.312 0.898 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC1CCCC1 ZINC000834512185 587758403 /nfs/dbraw/zinc/75/84/03/587758403.db2.gz SQMWFYVMJYOPDZ-GHMZBOCLSA-N 1 0 221.304 0.794 20 30 BCEDRO Cc1ncsc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834521350 587758514 /nfs/dbraw/zinc/75/85/14/587758514.db2.gz GVTZNPVVDFYISS-YUMQZZPRSA-N 1 0 236.300 0.293 20 30 BCEDRO Cc1noc(C)c1CC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834512615 587758666 /nfs/dbraw/zinc/75/86/66/587758666.db2.gz ZHCIPBXCEAULGO-GXSJLCMTSA-N 1 0 248.286 0.062 20 30 BCEDRO Cc1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834516767 587758694 /nfs/dbraw/zinc/75/86/94/587758694.db2.gz LTRXROHQLIPYEJ-WDEREUQCSA-N 1 0 230.271 0.231 20 30 BCEDRO C#CCn1cc(CNC(=O)[C@H](CC)[NH+](C)C)cn1 ZINC000834610050 587760744 /nfs/dbraw/zinc/76/07/44/587760744.db2.gz UVZDVXMXZHUUPD-LBPRGKRZSA-N 1 0 248.330 0.473 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2CCc3cc(N)ccc32)N1 ZINC000834970829 587774342 /nfs/dbraw/zinc/77/43/42/587774342.db2.gz QEGCZASEXZQNSM-MRVPVSSYSA-N 1 0 243.314 0.856 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=C2CCc3cc(N)ccc32)N1 ZINC000834970831 587774424 /nfs/dbraw/zinc/77/44/24/587774424.db2.gz QEGCZASEXZQNSM-QMMMGPOBSA-N 1 0 243.314 0.856 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C=C ZINC000836359117 587831490 /nfs/dbraw/zinc/83/14/90/587831490.db2.gz SXJYOXPTRKGPGH-NSHDSACASA-N 1 0 223.320 0.815 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@H](C)C#C ZINC000836406538 587832535 /nfs/dbraw/zinc/83/25/35/587832535.db2.gz KCSBVUYWMSBWSO-LLVKDONJSA-N 1 0 221.304 0.262 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N[C@@H](C)C#C ZINC000836406541 587832631 /nfs/dbraw/zinc/83/26/31/587832631.db2.gz KCSBVUYWMSBWSO-NSHDSACASA-N 1 0 221.304 0.262 20 30 BCEDRO C#CC(C)(C)N(C)S(=O)(=O)CCC[NH+](C)C ZINC000867193988 587836524 /nfs/dbraw/zinc/83/65/24/587836524.db2.gz WCBFNKUEJBOTSB-UHFFFAOYSA-N 1 0 246.376 0.612 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NO[C@H](CO)C(C)C ZINC000836894138 587841764 /nfs/dbraw/zinc/84/17/64/587841764.db2.gz BLAAYUJMQGJJDX-SNVBAGLBSA-N 1 0 230.308 0.169 20 30 BCEDRO C=C(CO)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000837005987 587847105 /nfs/dbraw/zinc/84/71/05/587847105.db2.gz YCGNATRQGSGBLK-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C(=C)C[NH+](C)C ZINC000837083037 587852628 /nfs/dbraw/zinc/85/26/28/587852628.db2.gz VDXMKQGPKVTMCI-LLVKDONJSA-N 1 0 226.320 0.548 20 30 BCEDRO CON=CC(=O)NC(C)(C)C[NH+]1CCCC1 ZINC000837179977 587857797 /nfs/dbraw/zinc/85/77/97/587857797.db2.gz XQTCKLVTRKFXKU-UHFFFAOYSA-N 1 0 227.308 0.609 20 30 BCEDRO CON=CC(=O)NC(C)(C)C[NH+](C)C ZINC000837245939 587861098 /nfs/dbraw/zinc/86/10/98/587861098.db2.gz MBCGVRDNOKXXCW-UHFFFAOYSA-N 1 0 201.270 0.075 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1CC[C@H](C)O1 ZINC000837282930 587863642 /nfs/dbraw/zinc/86/36/42/587863642.db2.gz NPUBGXRVPXDRTD-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C[NH+](C)C(C)(C)CNC(=O)C#CC1CC1 ZINC000837314602 587865328 /nfs/dbraw/zinc/86/53/28/587865328.db2.gz ZEZVCFIPTQXKNC-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C[NH+](C)[C@H](CNC(=O)C#CC1CC1)C1CC1 ZINC000837354384 587868634 /nfs/dbraw/zinc/86/86/34/587868634.db2.gz STRGUVQFBUUYSN-GFCCVEGCSA-N 1 0 220.316 0.856 20 30 BCEDRO CN(C(=O)C#CC1CC1)[C@H]1CCC[N@H+](C)C1 ZINC000837434929 587873002 /nfs/dbraw/zinc/87/30/02/587873002.db2.gz OUICFXXMFDOSSH-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)C#CC2CC2)C1 ZINC000837463857 587874905 /nfs/dbraw/zinc/87/49/05/587874905.db2.gz SZRGMUSJWMCSBI-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)C#CC3CC3)[C@@H]2C1 ZINC000837665240 587889060 /nfs/dbraw/zinc/88/90/60/587889060.db2.gz CMIFBCJOKJNJDT-VXGBXAGGSA-N 1 0 218.300 0.562 20 30 BCEDRO C#CCNC(=S)N1CC[N@@H+](C)C[C@H]1CC ZINC000840761097 587920437 /nfs/dbraw/zinc/92/04/37/587920437.db2.gz QBROZWWEZPBHPH-SNVBAGLBSA-N 1 0 225.361 0.520 20 30 BCEDRO C=C(C)CNC(=S)NC[C@H](C)[NH+](C)C ZINC000840810737 587922747 /nfs/dbraw/zinc/92/27/47/587922747.db2.gz VZNTVVBCTLPLBP-VIFPVBQESA-N 1 0 215.366 0.977 20 30 BCEDRO C#CCNC(=S)NC(C)(C)C[NH+](C)C ZINC000840834974 587924354 /nfs/dbraw/zinc/92/43/54/587924354.db2.gz DHIXFKHODGLIHB-UHFFFAOYSA-N 1 0 213.350 0.424 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CCC2(C1)OCCO2 ZINC000104081276 587933281 /nfs/dbraw/zinc/93/32/81/587933281.db2.gz SARPUZIPBKLGDC-JTQLQIEISA-N 1 0 240.303 0.126 20 30 BCEDRO Cc1cc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)ccn1 ZINC000841166227 587948084 /nfs/dbraw/zinc/94/80/84/587948084.db2.gz MBDYIGABUZQRNP-ONGXEEELSA-N 1 0 245.286 0.045 20 30 BCEDRO COc1ccc(C)cc1C=NNC1=[NH+]CCN1 ZINC000841658998 587968765 /nfs/dbraw/zinc/96/87/65/587968765.db2.gz KIVGKPFHGDRDIM-UHFFFAOYSA-N 1 0 232.287 0.886 20 30 BCEDRO C=C(Br)CNC(=O)NCCC[NH3+] ZINC000841744702 587973895 /nfs/dbraw/zinc/97/38/95/587973895.db2.gz KFCDFCJELPQOBY-UHFFFAOYSA-N 1 0 236.113 0.543 20 30 BCEDRO C#CCSCCNC(=O)NC(C)(C)C[NH3+] ZINC000841831087 587976176 /nfs/dbraw/zinc/97/61/76/587976176.db2.gz BAUYGYUNTPXDQU-UHFFFAOYSA-N 1 0 229.349 0.389 20 30 BCEDRO C#CCSCCNC(=O)NC[C@@H]1CCC[NH2+]1 ZINC000841833027 587976852 /nfs/dbraw/zinc/97/68/52/587976852.db2.gz YGTCFPFVZNDYOH-JTQLQIEISA-N 1 0 241.360 0.404 20 30 BCEDRO C#CCCCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000841861789 587978823 /nfs/dbraw/zinc/97/88/23/587978823.db2.gz ZMRFCFRGCCSZAW-LLVKDONJSA-N 1 0 223.320 0.826 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])[C@@H]1CCCO1 ZINC000841879223 587979836 /nfs/dbraw/zinc/97/98/36/587979836.db2.gz LVGBLWFZRGOLDT-ZNSHCXBVSA-N 1 0 239.319 0.202 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H]([NH3+])CC)[C@@H]1CCCO1 ZINC000841879179 587979842 /nfs/dbraw/zinc/97/98/42/587979842.db2.gz LJANVDYCYJXTHW-DCAQKATOSA-N 1 0 239.319 0.204 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H](C)C[NH3+])[C@@H]1CCCO1 ZINC000841880469 587980515 /nfs/dbraw/zinc/98/05/15/587980515.db2.gz AGMUFDBJYOZDFU-VWYCJHECSA-N 1 0 239.319 0.061 20 30 BCEDRO C#C[C@@H](NC(=O)NCC(C)(C)[NH3+])[C@@H]1CCCO1 ZINC000841881794 587980569 /nfs/dbraw/zinc/98/05/69/587980569.db2.gz UXVKXIWGXDFTBL-ZJUUUORDSA-N 1 0 239.319 0.204 20 30 BCEDRO C#CCCCNC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000841886198 587980719 /nfs/dbraw/zinc/98/07/19/587980719.db2.gz LMXZDZDOAVWYDM-TXEJJXNPSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCCCNC(=O)NCCC[NH2+]CC ZINC000841884333 587980831 /nfs/dbraw/zinc/98/08/31/587980831.db2.gz BCBGVPRAKSGYTQ-UHFFFAOYSA-N 1 0 211.309 0.699 20 30 BCEDRO C#CCCCNC(=O)N[C@H](C[NH3+])C1CC1 ZINC000841885645 587980959 /nfs/dbraw/zinc/98/09/59/587980959.db2.gz ILRXAJUQYFGLHF-SNVBAGLBSA-N 1 0 209.293 0.436 20 30 BCEDRO C#CCCCNC(=O)NCC[C@H]1CC[NH2+]C1 ZINC000841885865 587980984 /nfs/dbraw/zinc/98/09/84/587980984.db2.gz KNXBYRPIONMUAU-LLVKDONJSA-N 1 0 223.320 0.699 20 30 BCEDRO C#CCCCNC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000841886723 587981193 /nfs/dbraw/zinc/98/11/93/587981193.db2.gz RKRBQFKIZTTYAO-NSHDSACASA-N 1 0 223.320 0.841 20 30 BCEDRO C#CCCCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000841886714 587981301 /nfs/dbraw/zinc/98/13/01/587981301.db2.gz RCMOZNGUPDCCAT-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000841912997 587984686 /nfs/dbraw/zinc/98/46/86/587984686.db2.gz FQNQTDMETPHFNK-NXEZZACHSA-N 1 0 227.308 0.921 20 30 BCEDRO C#Cc1cccc(CNC(=O)NC[C@@H](C)[NH3+])c1 ZINC000841913106 587984692 /nfs/dbraw/zinc/98/46/92/587984692.db2.gz ILMMVYMMHCOMFB-SNVBAGLBSA-N 1 0 231.299 0.814 20 30 BCEDRO C=CCONC(=O)N(C1CC1)[C@@H]1CC[NH2+]C1 ZINC000841913485 587985015 /nfs/dbraw/zinc/98/50/15/587985015.db2.gz NXBHKKSLPUSLLB-SNVBAGLBSA-N 1 0 225.292 0.640 20 30 BCEDRO C=CCONC(=O)NCC([NH3+])(CC)CC ZINC000841913308 587985063 /nfs/dbraw/zinc/98/50/63/587985063.db2.gz MCMSAEBNLSWGHA-UHFFFAOYSA-N 1 0 215.297 0.921 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@H]1CC[NH2+]C1 ZINC000841938363 587986060 /nfs/dbraw/zinc/98/60/60/587986060.db2.gz CDFHJCYEHPOSOO-ZETCQYMHSA-N 1 0 203.673 0.400 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000841966036 587987385 /nfs/dbraw/zinc/98/73/85/587987385.db2.gz OCBNKFQIQFYHLF-QMMMGPOBSA-N 1 0 217.700 0.775 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CCC[C@H]([NH3+])C1 ZINC000841981039 587987508 /nfs/dbraw/zinc/98/75/08/587987508.db2.gz PCZHEAAEZZWGLN-LPEHRKFASA-N 1 0 209.293 0.577 20 30 BCEDRO C#CCN(C(=O)NC[C@H](C)[NH3+])C1CCCC1 ZINC000841986175 587988058 /nfs/dbraw/zinc/98/80/58/587988058.db2.gz SCQXCYPVIYOEGA-JTQLQIEISA-N 1 0 223.320 0.921 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H](C)[NH3+] ZINC000841984841 587988143 /nfs/dbraw/zinc/98/81/43/587988143.db2.gz DYXSFEINDPTYSW-SNVBAGLBSA-N 1 0 207.277 0.002 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC/C=C\C[NH3+] ZINC000841993955 587988369 /nfs/dbraw/zinc/98/83/69/587988369.db2.gz CBKGTRJTIPEKMC-WWQCOOJYSA-N 1 0 209.293 0.602 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCCC[C@H]1CCC[NH2+]1 ZINC000842007214 587988436 /nfs/dbraw/zinc/98/84/36/587988436.db2.gz WUYSTHHFDXTVHQ-GHMZBOCLSA-N 1 0 223.320 0.840 20 30 BCEDRO C#CCCNC(=O)NCCC[C@@H]1CCC[NH2+]1 ZINC000842007201 587988513 /nfs/dbraw/zinc/98/85/13/587988513.db2.gz WTIALOKOJBMQCU-NSHDSACASA-N 1 0 223.320 0.841 20 30 BCEDRO C#CCOc1ccc(C[NH2+][C@H](CO)[C@@H](C)O)cc1 ZINC000842220317 588007398 /nfs/dbraw/zinc/00/73/98/588007398.db2.gz AQVDRJCARIRSSG-BXUZGUMPSA-N 1 0 249.310 0.530 20 30 BCEDRO C#CC[C@H]1NC(=O)N(C[C@H](C)[N@H+](C)C2CC2)C1=O ZINC000842240631 588008377 /nfs/dbraw/zinc/00/83/77/588008377.db2.gz UDEDCDAVFSJAKS-GXSJLCMTSA-N 1 0 249.314 0.413 20 30 BCEDRO C#CCO[C@H](C)c1nc(C[C@@H](C)[NH2+]C)no1 ZINC000842634257 588047653 /nfs/dbraw/zinc/04/76/53/588047653.db2.gz CMKSEVRFHCHHQZ-RKDXNWHRSA-N 1 0 223.276 0.931 20 30 BCEDRO C#CCCC[NH2+]Cc1cncnc1OC ZINC000842687589 588053089 /nfs/dbraw/zinc/05/30/89/588053089.db2.gz ZNSLELRYSKTAOA-UHFFFAOYSA-N 1 0 205.261 0.988 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]CCS(=O)(=O)CC ZINC000843105538 588081397 /nfs/dbraw/zinc/08/13/97/588081397.db2.gz VJRLTXIUMYGUOF-JTQLQIEISA-N 1 0 235.349 0.195 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]CCC(=O)N(C)OC ZINC000843105137 588081476 /nfs/dbraw/zinc/08/14/76/588081476.db2.gz QSBQEAYDZUUOEU-JTQLQIEISA-N 1 0 230.308 0.171 20 30 BCEDRO C#CC1CC[NH+]([C@@H]2CC(=O)N(C)C2=O)CC1 ZINC000843270495 588096685 /nfs/dbraw/zinc/09/66/85/588096685.db2.gz VVHWEOJWWGLVEY-SNVBAGLBSA-N 1 0 220.272 0.089 20 30 BCEDRO CCN(OC)C(=O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000843431039 588106358 /nfs/dbraw/zinc/10/63/58/588106358.db2.gz VNPFCPKCUAHECK-ZJUUUORDSA-N 1 0 225.292 0.678 20 30 BCEDRO CC(C)(CO)[NH2+]Cc1cnc2c(C#N)cnn2c1 ZINC000843401695 588106557 /nfs/dbraw/zinc/10/65/57/588106557.db2.gz ZRHFWJYVZHPIQO-UHFFFAOYSA-N 1 0 245.286 0.461 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1(C(F)F)CC1 ZINC000843461706 588112552 /nfs/dbraw/zinc/11/25/52/588112552.db2.gz WHDYCANUYPUPPM-RNFRBKRXSA-N 1 0 229.230 0.259 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C\c1ccco1 ZINC000843461642 588112561 /nfs/dbraw/zinc/11/25/61/588112561.db2.gz MNLTWOUBNXTEJM-YUPSMKLTSA-N 1 0 231.255 0.521 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N[C@H](C#N)C2CC2)CC[N@@H+]1C ZINC000843795044 588140643 /nfs/dbraw/zinc/14/06/43/588140643.db2.gz SKXIRAMZJKKDFY-FBIMIBRVSA-N 1 0 221.304 0.745 20 30 BCEDRO C#C[C@H]1COCCN1C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843905780 588149721 /nfs/dbraw/zinc/14/97/21/588149721.db2.gz CGHBPCNCGWHVMI-GRYCIOLGSA-N 1 0 236.315 0.187 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C/c1cccnc1 ZINC000844194237 588172986 /nfs/dbraw/zinc/17/29/86/588172986.db2.gz CRUMBZJDLGFYGL-BLDJZWNYSA-N 1 0 242.282 0.323 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C1CC=CC1 ZINC000844194985 588173287 /nfs/dbraw/zinc/17/32/87/588173287.db2.gz OPWQUPBVFZTAMA-NXEZZACHSA-N 1 0 205.261 0.180 20 30 BCEDRO C=C[C@H](C)ONC(=O)NC1CC[NH+](C)CC1 ZINC000844284931 588180762 /nfs/dbraw/zinc/18/07/62/588180762.db2.gz YYHOKBVUCQHKJF-VIFPVBQESA-N 1 0 227.308 0.886 20 30 BCEDRO C#CCOCCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000844315306 588183812 /nfs/dbraw/zinc/18/38/12/588183812.db2.gz YNWOFBGSEBNAPJ-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO CCC[C@@H](C)[C@H](CO)[NH2+]CC(=O)NCCC#N ZINC000844376495 588188343 /nfs/dbraw/zinc/18/83/43/588188343.db2.gz CWJFLEGMFIQIMD-MNOVXSKESA-N 1 0 241.335 0.403 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCCC[C@H]1OC ZINC000844406142 588190487 /nfs/dbraw/zinc/19/04/87/588190487.db2.gz MZBXYVDNQLXFMU-VXGBXAGGSA-N 1 0 238.331 0.673 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000844470835 588198111 /nfs/dbraw/zinc/19/81/11/588198111.db2.gz LZNCZDGUKZTZMT-GXSJLCMTSA-N 1 0 242.269 0.855 20 30 BCEDRO C[C@@]1(C#N)CCCN(C(=O)[C@@H](O)c2cnc[nH]2)C1 ZINC000867363197 588213286 /nfs/dbraw/zinc/21/32/86/588213286.db2.gz MDWMDJPZYIERIH-JQWIXIFHSA-N 1 0 248.286 0.595 20 30 BCEDRO C=C(C)CONC(=O)NC[C@H]1CCC[N@H+]1C ZINC000845596285 588234601 /nfs/dbraw/zinc/23/46/01/588234601.db2.gz RBXXTVOZLNVSGN-SNVBAGLBSA-N 1 0 227.308 0.888 20 30 BCEDRO C#CCOCCC(=O)OC[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000845818093 588246131 /nfs/dbraw/zinc/24/61/31/588246131.db2.gz OQOZPQKMFZVJSS-NEPJUHHUSA-N 1 0 239.315 0.910 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCOC(=O)C1CC1 ZINC000846077205 588255689 /nfs/dbraw/zinc/25/56/89/588255689.db2.gz ONBTYATYAZHMAF-UHFFFAOYSA-N 1 0 240.303 0.174 20 30 BCEDRO C#C[C@H](C)NC(=O)NCCC1CC[NH2+]CC1 ZINC000846212152 588260402 /nfs/dbraw/zinc/26/04/02/588260402.db2.gz AWIJEHFTXDAEJA-JTQLQIEISA-N 1 0 223.320 0.697 20 30 BCEDRO CC#CC(=O)N(C)CC[NH+]1CCCCC1 ZINC000846614466 588279543 /nfs/dbraw/zinc/27/95/43/588279543.db2.gz OUAMVCAJVFPMJU-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C#CCOCCC(=O)NOC1CC[NH+](C)CC1 ZINC000846646363 588280557 /nfs/dbraw/zinc/28/05/57/588280557.db2.gz BDDQPXCVTMLFEJ-UHFFFAOYSA-N 1 0 240.303 0.168 20 30 BCEDRO C[NH+]1CCC(ONC(=O)c2ccc(C#N)[nH]2)CC1 ZINC000846648259 588280711 /nfs/dbraw/zinc/28/07/11/588280711.db2.gz VDIIQVLYGOPOHZ-UHFFFAOYSA-N 1 0 248.286 0.642 20 30 BCEDRO C[C@H](CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N)n1ccnc1 ZINC000846677492 588282312 /nfs/dbraw/zinc/28/23/12/588282312.db2.gz NEEXNCGNTHROET-VWYCJHECSA-N 1 0 247.302 0.062 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@@H]2CC(=O)NC2=O)C1 ZINC000846702514 588283583 /nfs/dbraw/zinc/28/35/83/588283583.db2.gz IGQIGOZKNHEFGL-VHSXEESVSA-N 1 0 220.272 0.137 20 30 BCEDRO C#CCCOC(=O)NCC1([NH+](C)C)CC1 ZINC000867439631 588291422 /nfs/dbraw/zinc/29/14/22/588291422.db2.gz YDDNIKBLEZNVKU-UHFFFAOYSA-N 1 0 210.277 0.830 20 30 BCEDRO C#CCCN1CC[NH+](CCCC(=O)NC)CC1 ZINC000846836406 588291682 /nfs/dbraw/zinc/29/16/82/588291682.db2.gz DZQCCVVYZCVQJK-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO C#CCC[NH+]1CCC(N2CN=NC2=O)CC1 ZINC000846885397 588295672 /nfs/dbraw/zinc/29/56/72/588295672.db2.gz KWZPMFHKTXELNO-UHFFFAOYSA-N 1 0 220.276 0.644 20 30 BCEDRO C#CCCN1CCC(CO)([NH2+]C(C)C)CC1 ZINC000846937133 588297599 /nfs/dbraw/zinc/29/75/99/588297599.db2.gz JDKLSHTWASCHPN-UHFFFAOYSA-N 1 0 224.348 0.835 20 30 BCEDRO CC[C@H](CC#N)NCC(=O)NCCC#N ZINC000846992032 588300595 /nfs/dbraw/zinc/30/05/95/588300595.db2.gz JTUAJRRLCNQVMJ-SECBINFHSA-N 1 0 208.265 0.298 20 30 BCEDRO C#CC1CC[NH+](CCCC(=O)NC)CC1 ZINC000847014363 588301396 /nfs/dbraw/zinc/30/13/96/588301396.db2.gz WZDRSGGAIOCQEE-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CC2(CO)COC2)C1 ZINC000847023476 588303378 /nfs/dbraw/zinc/30/33/78/588303378.db2.gz CNARCAIGLHDBIU-NSHDSACASA-N 1 0 209.289 0.341 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@@H](C)C(=O)NC(=O)NC)C1 ZINC000847025043 588303755 /nfs/dbraw/zinc/30/37/55/588303755.db2.gz BDEUFQDMBPYQPY-UWVGGRQHSA-N 1 0 237.303 0.176 20 30 BCEDRO C#C[C@@H]1CCCN(C[C@@H](O)C[NH+]2CCCC2)C1 ZINC000847026379 588304098 /nfs/dbraw/zinc/30/40/98/588304098.db2.gz YILKWOOKJCVHJQ-KGLIPLIRSA-N 1 0 236.359 0.788 20 30 BCEDRO C#C[C@@H]1CCCN(C[C@H](O)C[NH+]2CCCC2)C1 ZINC000847026381 588304126 /nfs/dbraw/zinc/30/41/26/588304126.db2.gz YILKWOOKJCVHJQ-ZIAGYGMSSA-N 1 0 236.359 0.788 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CC(=O)NCC=C)C1 ZINC000847028749 588304188 /nfs/dbraw/zinc/30/41/88/588304188.db2.gz KOVWBNYATDDHHW-LLVKDONJSA-N 1 0 206.289 0.634 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCC=C=C ZINC000848116739 588358185 /nfs/dbraw/zinc/35/81/85/588358185.db2.gz XMJMWIBKKWFHST-NSHDSACASA-N 1 0 204.273 0.541 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1Cc2cncnc2C1 ZINC000848165274 588363210 /nfs/dbraw/zinc/36/32/10/588363210.db2.gz NPAAGOJZRNCURQ-UHFFFAOYSA-N 1 0 232.287 0.437 20 30 BCEDRO C=CCONC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000848200905 588365783 /nfs/dbraw/zinc/36/57/83/588365783.db2.gz RHQMYGACCWQRDD-UHFFFAOYSA-N 1 0 238.291 0.292 20 30 BCEDRO C#CC(=O)N[C@@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848350913 588372938 /nfs/dbraw/zinc/37/29/38/588372938.db2.gz VOFOGAFEBNHLQZ-MNOVXSKESA-N 1 0 206.289 0.753 20 30 BCEDRO CON=CC(=O)N[C@H]1CCC[N@@H+]2CCCC[C@@H]12 ZINC000848352099 588373144 /nfs/dbraw/zinc/37/31/44/588373144.db2.gz LIGUMOUCLOCADU-QWRGUYRKSA-N 1 0 239.319 0.752 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CN2CCOC2=S)C1 ZINC000848492960 588386677 /nfs/dbraw/zinc/38/66/77/588386677.db2.gz ICEJIZZVUSZMGX-JTQLQIEISA-N 1 0 224.329 0.906 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1(COC)CC1 ZINC000848678755 588405032 /nfs/dbraw/zinc/40/50/32/588405032.db2.gz NIYNMGWRMMFMDJ-UHFFFAOYSA-N 1 0 224.304 0.142 20 30 BCEDRO CN(C)C(=[NH+]CCCN1CCOCC1)N(C)C ZINC000848980527 588423292 /nfs/dbraw/zinc/42/32/92/588423292.db2.gz XYPGKYXTLSEWOE-UHFFFAOYSA-N 1 0 242.367 0.188 20 30 BCEDRO CN(C)C(=[NH+]CCCN1CCCC1=O)N(C)C ZINC000848980525 588423336 /nfs/dbraw/zinc/42/33/36/588423336.db2.gz XSZOBLHPOHWDOC-UHFFFAOYSA-N 1 0 240.351 0.478 20 30 BCEDRO CN1CC[NH+]=C1NCCc1nnc2ccccn21 ZINC000848982707 588424649 /nfs/dbraw/zinc/42/46/49/588424649.db2.gz CZDVZEIYYYGCTO-UHFFFAOYSA-N 1 0 244.302 0.163 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCCn1cncn1 ZINC000848984917 588425166 /nfs/dbraw/zinc/42/51/66/588425166.db2.gz NJNQHDRANYNPDK-UHFFFAOYSA-N 1 0 222.296 0.358 20 30 BCEDRO CN(C)C(=[NH2+])NCCNc1ncccc1C#N ZINC000848989762 588426643 /nfs/dbraw/zinc/42/66/43/588426643.db2.gz ZTDPYGUFSHVBAL-UHFFFAOYSA-N 1 0 232.291 0.451 20 30 BCEDRO CN1CC[NH+]=C1NCCNc1ncccc1C#N ZINC000848989348 588426657 /nfs/dbraw/zinc/42/66/57/588426657.db2.gz BVAYFLUTDMYFDT-UHFFFAOYSA-N 1 0 244.302 0.256 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](C)S(C)(=O)=O ZINC000848991153 588427176 /nfs/dbraw/zinc/42/71/76/588427176.db2.gz HWWQOAZSNFZCSA-MRVPVSSYSA-N 1 0 233.337 0.110 20 30 BCEDRO CCNC(NC[C@@H](O)COCC(C)C)=[NH+]CC ZINC000848990552 588427208 /nfs/dbraw/zinc/42/72/08/588427208.db2.gz FJHYMJDJUAISMV-LLVKDONJSA-N 1 0 245.367 0.595 20 30 BCEDRO C=CCNC(=[NH2+])NCCNc1ccc(C#N)cn1 ZINC000848991488 588427320 /nfs/dbraw/zinc/42/73/20/588427320.db2.gz ILLYMCGAWZONRS-UHFFFAOYSA-N 1 0 244.302 0.665 20 30 BCEDRO CN1CC[NH+]=C1NCCNc1ccc(C#N)cn1 ZINC000848991565 588427348 /nfs/dbraw/zinc/42/73/48/588427348.db2.gz PFHRXEBKOIFJHJ-UHFFFAOYSA-N 1 0 244.302 0.256 20 30 BCEDRO C=CCNC(=[NH2+])NCCCNC(=O)C(C)C ZINC000848992418 588427751 /nfs/dbraw/zinc/42/77/51/588427751.db2.gz YHFREFOWICAKNZ-UHFFFAOYSA-N 1 0 226.324 0.449 20 30 BCEDRO C[NH+]=C(NC[C@H]1CCCCO1)NC1CC1 ZINC000848995889 588429261 /nfs/dbraw/zinc/42/92/61/588429261.db2.gz JDTUDMWUSLVWAN-SNVBAGLBSA-N 1 0 211.309 0.883 20 30 BCEDRO C[NH+]=C(NCc1nc(C2CC2)no1)NC1CC1 ZINC000848998184 588430045 /nfs/dbraw/zinc/43/00/45/588430045.db2.gz BGGBEMBRGWBRCL-UHFFFAOYSA-N 1 0 235.291 0.774 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCCCCC#N)CCO1 ZINC000849003173 588431419 /nfs/dbraw/zinc/43/14/19/588431419.db2.gz QMDTWJWNMHLDQK-JTQLQIEISA-N 1 0 224.308 0.925 20 30 BCEDRO C=CCNC(=[NH2+])NCCOC[C@H]1CCCO1 ZINC000849005455 588432579 /nfs/dbraw/zinc/43/25/79/588432579.db2.gz UEPMNZUARUYEBN-SNVBAGLBSA-N 1 0 227.308 0.482 20 30 BCEDRO C=CCNC(=[NH2+])NCC(=O)NCc1ccccc1 ZINC000849008464 588433810 /nfs/dbraw/zinc/43/38/10/588433810.db2.gz GLFBVFDGNSWXTA-UHFFFAOYSA-N 1 0 246.314 0.603 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCCOC2CCOCC2)N1 ZINC000849009898 588434249 /nfs/dbraw/zinc/43/42/49/588434249.db2.gz HORBPRIOWPPGTP-JTQLQIEISA-N 1 0 241.335 0.509 20 30 BCEDRO CN1CC[NH+]=C1NCCCOC[C@H]1CCOC1 ZINC000849009873 588434265 /nfs/dbraw/zinc/43/42/65/588434265.db2.gz FJWIMZMFVVORNT-LLVKDONJSA-N 1 0 241.335 0.321 20 30 BCEDRO CN(C)C(=[NH+]CC(C)(C)CO)N(C)C ZINC000849014004 588436312 /nfs/dbraw/zinc/43/63/12/588436312.db2.gz WNFXLLNCDCTEPA-UHFFFAOYSA-N 1 0 201.314 0.484 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])N[C@@H](C)COC ZINC000849015627 588436583 /nfs/dbraw/zinc/43/65/83/588436583.db2.gz FYFIFMFQHHXVPM-UWVGGRQHSA-N 1 0 229.324 0.320 20 30 BCEDRO CCOC(=O)C[C@H](C)CNC1=[NH+]C[C@H](C)N1 ZINC000849015116 588436605 /nfs/dbraw/zinc/43/66/05/588436605.db2.gz RIGHGZNXLZQUHU-IUCAKERBSA-N 1 0 227.308 0.513 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])NC1CCC1 ZINC000849016158 588437078 /nfs/dbraw/zinc/43/70/78/588437078.db2.gz QFJMITDINMTRNX-SECBINFHSA-N 1 0 211.309 0.837 20 30 BCEDRO C#CCOCCNC(=[NH2+])Nc1ccccn1 ZINC000849017994 588437806 /nfs/dbraw/zinc/43/78/06/588437806.db2.gz QKQYIEUPSAVQSH-UHFFFAOYSA-N 1 0 218.260 0.668 20 30 BCEDRO C#CCOCCNC(=[NH2+])N1CCSCC1 ZINC000849018042 588437901 /nfs/dbraw/zinc/43/79/01/588437901.db2.gz SNIWFLCLYYJUTM-UHFFFAOYSA-N 1 0 227.333 0.209 20 30 BCEDRO CNC(NCc1cnn2ccccc12)=[NH+]C ZINC000849019937 588438396 /nfs/dbraw/zinc/43/83/96/588438396.db2.gz IHVWCLWDNLBALM-UHFFFAOYSA-N 1 0 217.276 0.629 20 30 BCEDRO CN(C)C(=[NH+][C@@H]1C[C@H](O)C1(C)C)N(C)C ZINC000849020372 588438576 /nfs/dbraw/zinc/43/85/76/588438576.db2.gz BLKPDSQJVUODNH-BDAKNGLRSA-N 1 0 213.325 0.625 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2ccc(C#N)cn2)N1 ZINC000849020836 588438913 /nfs/dbraw/zinc/43/89/13/588438913.db2.gz NOCQWIOKOPDVDW-MRVPVSSYSA-N 1 0 215.260 0.391 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccc(C#N)cn1 ZINC000849020872 588438953 /nfs/dbraw/zinc/43/89/53/588438953.db2.gz RCEUNDIGJHXAQN-SECBINFHSA-N 1 0 247.302 0.602 20 30 BCEDRO CCOC(CCNC1=[NH+]C[C@@H](C)N1)OCC ZINC000849021906 588439241 /nfs/dbraw/zinc/43/92/41/588439241.db2.gz XNYRCWIHEFTVEP-SECBINFHSA-N 1 0 229.324 0.713 20 30 BCEDRO CC[C@H](C[NH+]=C(N(C)C)N(C)C)OC ZINC000849029723 588442193 /nfs/dbraw/zinc/44/21/93/588442193.db2.gz JOXLUYSFDYAQQJ-SECBINFHSA-N 1 0 201.314 0.891 20 30 BCEDRO CCC[C@H](C)C(=O)NCCNC(NC)=[NH+]C ZINC000849030118 588442228 /nfs/dbraw/zinc/44/22/28/588442228.db2.gz AERNSQZPWUXZNU-VIFPVBQESA-N 1 0 228.340 0.334 20 30 BCEDRO CCNC(NCc1nnc(C2CC2)[nH]1)=[NH+]CC ZINC000849035822 588445021 /nfs/dbraw/zinc/44/50/21/588445021.db2.gz YNMQOUSFPFPPQA-UHFFFAOYSA-N 1 0 236.323 0.757 20 30 BCEDRO CCNC(NC[C@@H]1CCOC[C@@H]1OC)=[NH+]CC ZINC000849036040 588445113 /nfs/dbraw/zinc/44/51/13/588445113.db2.gz KTSHMGZKLHQRLM-QWRGUYRKSA-N 1 0 243.351 0.613 20 30 BCEDRO C=CCNC(=[NH2+])NCCN1C[C@H]2CC[C@@H](C1)O2 ZINC000849037465 588446035 /nfs/dbraw/zinc/44/60/35/588446035.db2.gz IKEGOOOOVKJGIR-PHIMTYICSA-N 1 0 238.335 0.150 20 30 BCEDRO CNC(NC[C@H]1CCOC(C)(C)C1)=[NH+]C ZINC000849039121 588446674 /nfs/dbraw/zinc/44/66/74/588446674.db2.gz JHGZKAHDIDJLCU-VIFPVBQESA-N 1 0 213.325 0.986 20 30 BCEDRO Cc1cnc(CCNC2=[NH+]C[C@@H](C)N2)cn1 ZINC000849039707 588447249 /nfs/dbraw/zinc/44/72/49/588447249.db2.gz OJUYEHLWEVLVQA-SECBINFHSA-N 1 0 219.292 0.265 20 30 BCEDRO CCO[C@H]1C[C@@H](NC(NC2CC2)=[NH+]C)C1 ZINC000849040288 588447488 /nfs/dbraw/zinc/44/74/88/588447488.db2.gz REVWIWIJVXGZTB-AOOOYVTPSA-N 1 0 211.309 0.881 20 30 BCEDRO N#CC1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCC1 ZINC000849043683 588448635 /nfs/dbraw/zinc/44/86/35/588448635.db2.gz QCZQGXCOFUVQHB-JTQLQIEISA-N 1 0 236.319 0.973 20 30 BCEDRO C=CCn1cc(CNC(NCC)=[NH+]CC)nn1 ZINC000849044487 588449074 /nfs/dbraw/zinc/44/90/74/588449074.db2.gz ROCAVJBJDIFWOP-UHFFFAOYSA-N 1 0 236.323 0.539 20 30 BCEDRO CCN1C[C@@H](CNC(NC2CC2)=[NH+]C)CC1=O ZINC000849048746 588450974 /nfs/dbraw/zinc/45/09/74/588450974.db2.gz LDUOAJUPECRRPW-SECBINFHSA-N 1 0 238.335 0.182 20 30 BCEDRO C=CCNC(=[NH2+])NCC[C@@]1(O)CCCOC1 ZINC000849049098 588451283 /nfs/dbraw/zinc/45/12/83/588451283.db2.gz MVMXMUATTSQZSN-NSHDSACASA-N 1 0 227.308 0.218 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@](C)(CO)OC ZINC000849049603 588451402 /nfs/dbraw/zinc/45/14/02/588451402.db2.gz UMCMJDPFTNFJPJ-JTQLQIEISA-N 1 0 215.297 0.074 20 30 BCEDRO CNC(NCc1c(OC)cccc1OC)=[NH+]C ZINC000849215057 588461749 /nfs/dbraw/zinc/46/17/49/588461749.db2.gz KYDSEKHZNVEBJW-UHFFFAOYSA-N 1 0 237.303 0.999 20 30 BCEDRO CNC(NC[C@]12OCCC[C@H]1C2(F)F)=[NH+]C ZINC000849215216 588461938 /nfs/dbraw/zinc/46/19/38/588461938.db2.gz VTXVJBFNOASVIZ-APPZFPTMSA-N 1 0 233.262 0.596 20 30 BCEDRO COC(=O)CCCCNC1=[NH+]CCCCN1 ZINC000849215880 588462462 /nfs/dbraw/zinc/46/24/62/588462462.db2.gz JDOBUGNRFIKHCP-UHFFFAOYSA-N 1 0 227.308 0.659 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000849224489 588463158 /nfs/dbraw/zinc/46/31/58/588463158.db2.gz FMDGBXWITRZEHI-SNVBAGLBSA-N 1 0 223.320 0.792 20 30 BCEDRO N#Cc1nc(F)ccc1OC[C@@H]1C[NH2+]CCO1 ZINC000849240715 588464434 /nfs/dbraw/zinc/46/44/34/588464434.db2.gz UCXCGVCDPUIIOU-QMMMGPOBSA-N 1 0 237.234 0.460 20 30 BCEDRO C#CCNC(=S)NCC[C@@H](C)[NH+](C)C ZINC000849280919 588469825 /nfs/dbraw/zinc/46/98/25/588469825.db2.gz JVPXRJRVPJAQBD-SECBINFHSA-N 1 0 213.350 0.424 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCCn2nccc21 ZINC000850429274 588545585 /nfs/dbraw/zinc/54/55/85/588545585.db2.gz AUJGAPCVKDYHJN-NSHDSACASA-N 1 0 246.314 0.447 20 30 BCEDRO CCn1ccc(NC(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000850757611 588565664 /nfs/dbraw/zinc/56/56/64/588565664.db2.gz NCUBMWBQTDEMTC-DTWKUNHWSA-N 1 0 248.290 0.136 20 30 BCEDRO CCn1ccc(NC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)n1 ZINC000850757610 588565950 /nfs/dbraw/zinc/56/59/50/588565950.db2.gz NCUBMWBQTDEMTC-BDAKNGLRSA-N 1 0 248.290 0.136 20 30 BCEDRO C=CCN(CCC(=O)N(C)C)CC(=O)OCC ZINC000110054448 588609685 /nfs/dbraw/zinc/60/96/85/588609685.db2.gz HDMNFDKMNTXIHP-UHFFFAOYSA-N 1 0 242.319 0.516 20 30 BCEDRO COc1cc(C(=O)N[C@H]2CC[NH2+]C2)ccc1C#N ZINC000851633901 588612352 /nfs/dbraw/zinc/61/23/52/588612352.db2.gz XSYZBQQSCCMXPR-NSHDSACASA-N 1 0 245.282 0.659 20 30 BCEDRO C#CCOCCNC(=O)NCC1([NH3+])CCCC1 ZINC000851659780 588613492 /nfs/dbraw/zinc/61/34/92/588613492.db2.gz YNJGBJOKLIUSLO-UHFFFAOYSA-N 1 0 239.319 0.207 20 30 BCEDRO C#CCCCNC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000851659632 588613505 /nfs/dbraw/zinc/61/35/05/588613505.db2.gz TVTPTIDUYRSKMV-NXEZZACHSA-N 1 0 227.283 0.481 20 30 BCEDRO C#C[C@@H](NC(=O)N1CC[C@@H](F)[C@H]([NH3+])C1)C(C)C ZINC000851661582 588613616 /nfs/dbraw/zinc/61/36/16/588613616.db2.gz LQYNVWJJIHRMIV-GMTAPVOTSA-N 1 0 241.310 0.725 20 30 BCEDRO C#C[C@@H](NC(=O)NCC12CC(C1)C[NH2+]2)C(C)C ZINC000851661102 588613682 /nfs/dbraw/zinc/61/36/82/588613682.db2.gz FEOQQULIZLZSPV-QWKFWESOSA-N 1 0 235.331 0.695 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000851677428 588614548 /nfs/dbraw/zinc/61/45/48/588614548.db2.gz GNHDNTIQYDFVMU-NXEZZACHSA-N 1 0 211.309 0.681 20 30 BCEDRO C#CCN(C)C(=O)NCC1([NH3+])CCCC1 ZINC000851672177 588614574 /nfs/dbraw/zinc/61/45/74/588614574.db2.gz YPUUANVGXFDLIA-UHFFFAOYSA-N 1 0 209.293 0.533 20 30 BCEDRO C#CCOCCN1CCC([NH+](C)C)CC1 ZINC000851725969 588617604 /nfs/dbraw/zinc/61/76/04/588617604.db2.gz JUHRWLSBNMLULH-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCOCC[N@H+]1CCCC[C@@H]1CC(N)=O ZINC000851751244 588623139 /nfs/dbraw/zinc/62/31/39/588623139.db2.gz LOYHBIXZKVJAIN-LLVKDONJSA-N 1 0 224.304 0.366 20 30 BCEDRO C#CCOCC[N@H+]1C[C@H](C(N)=O)CC[C@@H]1C ZINC000851751461 588623330 /nfs/dbraw/zinc/62/33/30/588623330.db2.gz NRDNQOKXXRVYRT-WDEREUQCSA-N 1 0 224.304 0.222 20 30 BCEDRO C#CCOCC[N@@H+](C)Cc1cnn(CC)c1 ZINC000851773522 588625911 /nfs/dbraw/zinc/62/59/11/588625911.db2.gz OCAJGVWPRXFYMU-UHFFFAOYSA-N 1 0 221.304 0.985 20 30 BCEDRO CC(C)C[N@H+](CCC#N)C[C@H]1CNC(=O)C1 ZINC000851779711 588627121 /nfs/dbraw/zinc/62/71/21/588627121.db2.gz UWZXIWPKPVGBFY-LLVKDONJSA-N 1 0 223.320 0.994 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H](OC)[C@@H]1CCOC1 ZINC000851793675 588629332 /nfs/dbraw/zinc/62/93/32/588629332.db2.gz GWJLNMGISGVHCV-CHWSQXEVSA-N 1 0 221.300 0.606 20 30 BCEDRO C#CC[NH+](CC#C)C[C@H](OC)[C@H]1CCOC1 ZINC000851793678 588629421 /nfs/dbraw/zinc/62/94/21/588629421.db2.gz GWJLNMGISGVHCV-STQMWFEESA-N 1 0 221.300 0.606 20 30 BCEDRO C#CCOCC[NH+]1CCC(OCCCO)CC1 ZINC000851808695 588632359 /nfs/dbraw/zinc/63/23/59/588632359.db2.gz QMLIDUSBUHAASB-UHFFFAOYSA-N 1 0 241.331 0.500 20 30 BCEDRO C#CCOCC[NH2+]C1(C(N)=O)CCCCC1 ZINC000851852286 588634938 /nfs/dbraw/zinc/63/49/38/588634938.db2.gz KQGGJXZTMKWJMO-UHFFFAOYSA-N 1 0 224.304 0.414 20 30 BCEDRO C#CCOCC[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000851851251 588635091 /nfs/dbraw/zinc/63/50/91/588635091.db2.gz JTPRKZWHHPHCEK-SECBINFHSA-N 1 0 212.293 0.126 20 30 BCEDRO C#CCOCC[NH2+]C(C)(C)CC(=O)OC ZINC000851855154 588635386 /nfs/dbraw/zinc/63/53/86/588635386.db2.gz BRYVYVCOEDTNRX-UHFFFAOYSA-N 1 0 213.277 0.568 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H]([C@@H]2CCOC2)C1 ZINC000851862103 588635880 /nfs/dbraw/zinc/63/58/80/588635880.db2.gz UMMCXWMHNIETSQ-CHWSQXEVSA-N 1 0 223.316 0.995 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2cn[nH]c2)CC1 ZINC000851873321 588637877 /nfs/dbraw/zinc/63/78/77/588637877.db2.gz VDRSDJSSMDUZQS-UHFFFAOYSA-N 1 0 218.304 0.551 20 30 BCEDRO N#CCC1CC[NH+](C[C@@H]2CNC(=O)C2)CC1 ZINC000851918668 588643587 /nfs/dbraw/zinc/64/35/87/588643587.db2.gz BXDWXUYBRLUGPN-NSHDSACASA-N 1 0 221.304 0.748 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1CCC(=O)O1)[C@@H]1CCCO1 ZINC000851949809 588646917 /nfs/dbraw/zinc/64/69/17/588646917.db2.gz JQBKAICICCQVRK-DCAQKATOSA-N 1 0 223.272 0.462 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCN(CC)C1=O)[C@H]1CCCO1 ZINC000851951109 588647065 /nfs/dbraw/zinc/64/70/65/588647065.db2.gz UXAVYUREUMPHNJ-SDDRHHMPSA-N 1 0 236.315 0.378 20 30 BCEDRO C#CCOCC[N@@H+](CC)C[C@@H](O)C(F)(F)F ZINC000851955327 588647666 /nfs/dbraw/zinc/64/76/66/588647666.db2.gz FTCDEVSDQIUIEA-SECBINFHSA-N 1 0 239.237 0.881 20 30 BCEDRO C#CCOCC[NH2+][C@@H]1CCC[C@@H]1CCO ZINC000851984000 588651562 /nfs/dbraw/zinc/65/15/62/588651562.db2.gz OPQFZXWIRJDFCU-VXGBXAGGSA-N 1 0 211.305 0.777 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851989957 588652067 /nfs/dbraw/zinc/65/20/67/588652067.db2.gz MILLVKYVISPJDD-FZMZJTMJSA-N 1 0 246.310 0.313 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+](C)CCOC(F)F)C1=O ZINC000852007512 588654597 /nfs/dbraw/zinc/65/45/97/588654597.db2.gz OBCXRBDMTWHSSW-SECBINFHSA-N 1 0 248.273 0.944 20 30 BCEDRO C#CCOCCN1CC[N@@H+](CC)C[C@@H]1C ZINC000852041957 588656658 /nfs/dbraw/zinc/65/66/58/588656658.db2.gz SVUXUOJKSHQYPE-LBPRGKRZSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CCOCC[NH+]1CCC(c2nc(N)n[nH]2)CC1 ZINC000852055715 588658153 /nfs/dbraw/zinc/65/81/53/588658153.db2.gz FLLUWHKFEFXFDM-UHFFFAOYSA-N 1 0 249.318 0.216 20 30 BCEDRO C#CCOCC[N@@H+](C)[C@@H]1CCC(=O)N(C)C1 ZINC000852087036 588660774 /nfs/dbraw/zinc/66/07/74/588660774.db2.gz VVHLITLOLQYOCA-LLVKDONJSA-N 1 0 224.304 0.189 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000852103373 588661594 /nfs/dbraw/zinc/66/15/94/588661594.db2.gz FWZNYRKKQHTXKC-ZJUUUORDSA-N 1 0 217.334 0.811 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H]1CCS(=O)(=O)C1 ZINC000852103815 588661895 /nfs/dbraw/zinc/66/18/95/588661895.db2.gz RYUHLNXHBHAAKJ-QWRGUYRKSA-N 1 0 229.345 0.813 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NC(=O)NCC ZINC000852097044 588661906 /nfs/dbraw/zinc/66/19/06/588661906.db2.gz JQEGJAZOQUAUCS-NSHDSACASA-N 1 0 225.292 0.224 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000852098171 588662358 /nfs/dbraw/zinc/66/23/58/588662358.db2.gz GXQUKJMDWNXFFO-DGCLKSJQSA-N 1 0 238.331 0.673 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NC[C@@H]1CCCO1 ZINC000852098172 588662534 /nfs/dbraw/zinc/66/25/34/588662534.db2.gz GXQUKJMDWNXFFO-WCQYABFASA-N 1 0 238.331 0.673 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NC1(C#N)CCC1 ZINC000852103266 588663468 /nfs/dbraw/zinc/66/34/68/588663468.db2.gz BYCXBSLFDALJCT-LBPRGKRZSA-N 1 0 233.315 0.940 20 30 BCEDRO C#CCOCC[NH+]1CCC(C(C)=O)CC1 ZINC000852125467 588665771 /nfs/dbraw/zinc/66/57/71/588665771.db2.gz JQXCRGQMDIHYLR-UHFFFAOYSA-N 1 0 209.289 0.937 20 30 BCEDRO C#CCOCC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000852176326 588669801 /nfs/dbraw/zinc/66/98/01/588669801.db2.gz ABLOHESUGHGHJW-LBPRGKRZSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@H]2CON(CC)C2=O)C1 ZINC000852206495 588671862 /nfs/dbraw/zinc/67/18/62/588671862.db2.gz KWIDNCLIPCYRDJ-NEPJUHHUSA-N 1 0 236.315 0.884 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@H]2CNC(=O)C2)C1 ZINC000852214925 588673261 /nfs/dbraw/zinc/67/32/61/588673261.db2.gz ACVXYULOQJNCLY-GHMZBOCLSA-N 1 0 206.289 0.468 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@H]2CNC(=O)C2)C1 ZINC000852214928 588673331 /nfs/dbraw/zinc/67/33/31/588673331.db2.gz ACVXYULOQJNCLY-WDEREUQCSA-N 1 0 206.289 0.468 20 30 BCEDRO C#C[C@H]1CCC[N@H+](CCc2c[nH]nn2)C1 ZINC000852215070 588673348 /nfs/dbraw/zinc/67/33/48/588673348.db2.gz CQZNTTULIXHCNG-JTQLQIEISA-N 1 0 204.277 0.692 20 30 BCEDRO C#C[C@@H]1CCCN([C@@H]2CON(CC)C2=O)C1 ZINC000852215281 588673485 /nfs/dbraw/zinc/67/34/85/588673485.db2.gz GTXRWHVHZMDZBH-GHMZBOCLSA-N 1 0 222.288 0.494 20 30 BCEDRO C#CCOCC[N@H+]1CCC2=C(CCC(=O)N2)C1 ZINC000852295264 588676972 /nfs/dbraw/zinc/67/69/72/588676972.db2.gz VPCXLCJMDSIHNC-UHFFFAOYSA-N 1 0 234.299 0.506 20 30 BCEDRO C#CCC[N@@H+]1CC[C@H](Cn2ccnn2)C1 ZINC000852313852 588678058 /nfs/dbraw/zinc/67/80/58/588678058.db2.gz OYIBMKJVFHLKFE-NSHDSACASA-N 1 0 204.277 0.623 20 30 BCEDRO C=CCN(CC1OCCO1)[C@@H](C)COC ZINC000852356847 588679647 /nfs/dbraw/zinc/67/96/47/588679647.db2.gz PVEDSBDLCXBOLN-JTQLQIEISA-N 1 0 215.293 0.882 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852435712 588682271 /nfs/dbraw/zinc/68/22/71/588682271.db2.gz AHBZDAYQYHEBBX-WDEREUQCSA-N 1 0 240.303 0.450 20 30 BCEDRO C#CCOCC[N@@H+](C)CC1=CCCOC1 ZINC000852515602 588687490 /nfs/dbraw/zinc/68/74/90/588687490.db2.gz AWEZSOUJSVUVJQ-UHFFFAOYSA-N 1 0 209.289 0.915 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000852536498 588688708 /nfs/dbraw/zinc/68/87/08/588688708.db2.gz VZSIRULPXARVKC-AAEUAGOBSA-N 1 0 236.315 0.094 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1C[C@H](O)C12CCC2 ZINC000852583975 588691878 /nfs/dbraw/zinc/69/18/78/588691878.db2.gz BIYXWLWELGWHJB-DCAQKATOSA-N 1 0 236.315 0.017 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H]2COC[C@@H]2C1 ZINC000852664476 588694264 /nfs/dbraw/zinc/69/42/64/588694264.db2.gz HRCZLDUXNYIVJZ-NEPJUHHUSA-N 1 0 236.315 0.094 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](CN2CCCC2=O)C1 ZINC000852679755 588694934 /nfs/dbraw/zinc/69/49/34/588694934.db2.gz ASGYGUVRRCMNKN-GFCCVEGCSA-N 1 0 220.316 0.954 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCC1OCCCO1 ZINC000852714360 588697472 /nfs/dbraw/zinc/69/74/72/588697472.db2.gz JKPPTRIUFVXGOU-SECBINFHSA-N 1 0 201.266 0.276 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccnc(N(C)C)c1 ZINC000852714165 588697588 /nfs/dbraw/zinc/69/75/88/588697588.db2.gz BAGLFKLBDHITMZ-LLVKDONJSA-N 1 0 221.304 0.784 20 30 BCEDRO C#CCC[N@@H+](CCOC)CC1(C)COC1 ZINC000852749990 588700084 /nfs/dbraw/zinc/70/00/84/588700084.db2.gz KHPVRNWBGATVAI-UHFFFAOYSA-N 1 0 211.305 0.995 20 30 BCEDRO COc1cc(C(=O)NCC[NH3+])ccc1C#N ZINC000852791039 588703006 /nfs/dbraw/zinc/70/30/06/588703006.db2.gz XBUHOWHFSFVQOQ-UHFFFAOYSA-N 1 0 219.244 0.255 20 30 BCEDRO COCCCNC(=O)C#CC1CC[NH2+]CC1 ZINC000852800816 588704370 /nfs/dbraw/zinc/70/43/70/588704370.db2.gz SFYXNNQTIXXAPQ-UHFFFAOYSA-N 1 0 224.304 0.142 20 30 BCEDRO C[C@@H]1CCN(C(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852820702 588705892 /nfs/dbraw/zinc/70/58/92/588705892.db2.gz AVDIUSKQNBYMOX-LLVKDONJSA-N 1 0 220.316 0.858 20 30 BCEDRO C[C@H](Cc1ccco1)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852827525 588706329 /nfs/dbraw/zinc/70/63/29/588706329.db2.gz KBHGPZXLKMLJFG-FOGDFJRCSA-N 1 0 247.298 0.686 20 30 BCEDRO CCCn1nccc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852827828 588706403 /nfs/dbraw/zinc/70/64/03/588706403.db2.gz QGBGDYRRBWTYJD-NXEZZACHSA-N 1 0 247.302 0.134 20 30 BCEDRO CCCn1nccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000852827831 588706414 /nfs/dbraw/zinc/70/64/14/588706414.db2.gz QGBGDYRRBWTYJD-ZJUUUORDSA-N 1 0 247.302 0.134 20 30 BCEDRO Cc1cc(CNC(=O)C#CC2CC[NH2+]CC2)[nH]n1 ZINC000852838239 588707155 /nfs/dbraw/zinc/70/71/55/588707155.db2.gz WKMGNXFSOQDGAV-UHFFFAOYSA-N 1 0 246.314 0.337 20 30 BCEDRO COCC1(NC(=O)C#CC2CC[NH2+]CC2)CC1 ZINC000852846564 588707877 /nfs/dbraw/zinc/70/78/77/588707877.db2.gz VSSUKPBWEPRMRQ-UHFFFAOYSA-N 1 0 236.315 0.285 20 30 BCEDRO CN(Cc1cn[nH]c1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852868500 588709592 /nfs/dbraw/zinc/70/95/92/588709592.db2.gz HLTSEXOCQRXZMJ-UHFFFAOYSA-N 1 0 246.314 0.371 20 30 BCEDRO C[C@@]1(NC(=O)C#CC2CC[NH2+]CC2)CCOC1 ZINC000852876236 588710024 /nfs/dbraw/zinc/71/00/24/588710024.db2.gz GIAGSGHCGBHEHN-CYBMUJFWSA-N 1 0 236.315 0.285 20 30 BCEDRO CS[C@@H](C)CNC(=O)C#CC1CC[NH2+]CC1 ZINC000852876720 588710476 /nfs/dbraw/zinc/71/04/76/588710476.db2.gz QEFMZPDEIXDOHB-JTQLQIEISA-N 1 0 240.372 0.857 20 30 BCEDRO CO[C@@H](C)[C@H](C)NC(=O)C#CC1CC[NH2+]CC1 ZINC000852891548 588711528 /nfs/dbraw/zinc/71/15/28/588711528.db2.gz ZOAGLGMTNLFLAA-QWRGUYRKSA-N 1 0 238.331 0.529 20 30 BCEDRO C=C1CCN(C(=O)C2=NO[C@@H](C[NH3+])C2)CC1 ZINC000852894765 588712065 /nfs/dbraw/zinc/71/20/65/588712065.db2.gz UGLOZXVAJGDPKP-SECBINFHSA-N 1 0 223.276 0.269 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N[C@@H]1C=CCC1 ZINC000852903071 588712560 /nfs/dbraw/zinc/71/25/60/588712560.db2.gz UCNTZEZPUQXJJA-GFCCVEGCSA-N 1 0 218.300 0.824 20 30 BCEDRO N#CC1(CC(=O)OCC[NH+]2CCC2)CC1 ZINC000861390663 589164146 /nfs/dbraw/zinc/16/41/46/589164146.db2.gz IPOWBNVDXQWCJT-UHFFFAOYSA-N 1 0 208.261 0.929 20 30 BCEDRO C#CCSCCNC(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000861589372 589168931 /nfs/dbraw/zinc/16/89/31/589168931.db2.gz DELKQGRTPUNSTE-VHSXEESVSA-N 1 0 241.360 0.402 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@@H]1CC[NH2+][C@H]1C)C(C)C ZINC000861632533 589171307 /nfs/dbraw/zinc/17/13/07/589171307.db2.gz GHTPKKQEEKWECJ-HBNTYKKESA-N 1 0 223.320 0.694 20 30 BCEDRO C#C[C@@H](NC(=O)N(CC)CC[NH3+])C(C)C ZINC000861633410 589171417 /nfs/dbraw/zinc/17/14/17/589171417.db2.gz OBLLDWQDGWRTQJ-SNVBAGLBSA-N 1 0 211.309 0.634 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)NCC(C)(C)CC#N ZINC000861637403 589171609 /nfs/dbraw/zinc/17/16/09/589171609.db2.gz KJVHEQZMVNHVKS-SECBINFHSA-N 1 0 226.324 0.915 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861636131 589171747 /nfs/dbraw/zinc/17/17/47/589171747.db2.gz FTYYGBQWZZPYLF-DTWKUNHWSA-N 1 0 213.281 0.544 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861658916 589173655 /nfs/dbraw/zinc/17/36/55/589173655.db2.gz RKIAJBZGXPGPOE-ZJUUUORDSA-N 1 0 221.304 0.592 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000861683857 589174066 /nfs/dbraw/zinc/17/40/66/589174066.db2.gz BVFPNRUVWFPBHL-QWRGUYRKSA-N 1 0 239.319 0.076 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000861689716 589174328 /nfs/dbraw/zinc/17/43/28/589174328.db2.gz HPFXJTNKURXPSO-VHSXEESVSA-N 1 0 209.293 0.402 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCCOCCC[NH3+] ZINC000861692625 589174942 /nfs/dbraw/zinc/17/49/42/589174942.db2.gz HQHXDUIXATUUEO-JTQLQIEISA-N 1 0 227.308 0.015 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@@H]([N@@H+]2CC[C@@H](O)C2)C1 ZINC000861720188 589176222 /nfs/dbraw/zinc/17/62/22/589176222.db2.gz VFWNNCZZHWEZLG-CHWSQXEVSA-N 1 0 248.326 0.067 20 30 BCEDRO CCCCCCCNC(=O)C(=O)N[C@H](C)C[NH3+] ZINC000861778386 589177621 /nfs/dbraw/zinc/17/76/21/589177621.db2.gz PVSXRJGDTZXHKV-SNVBAGLBSA-N 1 0 243.351 0.536 20 30 BCEDRO CC#CC(=O)NC[C@H]1CCCC[N@H+](C)C1 ZINC000862793274 589241799 /nfs/dbraw/zinc/24/17/99/589241799.db2.gz LUGYRSCGXONXEI-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1cnn(CCF)c1 ZINC000862811800 589242729 /nfs/dbraw/zinc/24/27/29/589242729.db2.gz XCNFHLLWQBBDKK-UHFFFAOYSA-N 1 0 240.282 0.909 20 30 BCEDRO C=C(CO)C(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863032450 589252743 /nfs/dbraw/zinc/25/27/43/589252743.db2.gz ONOPXTWITYWLKI-LBPRGKRZSA-N 1 0 238.331 0.668 20 30 BCEDRO C[N@@H+]1CCC(=NOCC(N)=O)CC1(C)C ZINC000863104326 589256223 /nfs/dbraw/zinc/25/62/23/589256223.db2.gz BIPUUNDLWBNQLS-UHFFFAOYSA-N 1 0 213.281 0.349 20 30 BCEDRO CC(C)(O)CNN=C1C[N@@H+]2C[C@@H]1CCC2 ZINC000863137453 589262253 /nfs/dbraw/zinc/26/22/53/589262253.db2.gz ZDWWGURZPBOQFY-VIFPVBQESA-N 1 0 211.309 0.429 20 30 BCEDRO C[N@@H+]1CCCC(N=NCC(C)(C)O)CC1 ZINC000863138203 589262312 /nfs/dbraw/zinc/26/23/12/589262312.db2.gz DEHMEPULCFNTCN-UHFFFAOYSA-N 1 0 213.325 0.819 20 30 BCEDRO C[C@H]1CC(=NNCC(C)(C)O)CN1C1CC1 ZINC000863137610 589262320 /nfs/dbraw/zinc/26/23/20/589262320.db2.gz FEFOWMHDYXCKEM-VIFPVBQESA-N 1 0 225.336 0.960 20 30 BCEDRO CCn1ncnc1C=NNc1cc[nH+]cc1C ZINC000863157629 589263920 /nfs/dbraw/zinc/26/39/20/589263920.db2.gz DAQLPKVIFBEWMT-UHFFFAOYSA-N 1 0 230.275 0.869 20 30 BCEDRO CC(=NNc1cc[nH+]c(C)c1)c1cnn(C)n1 ZINC000863159139 589264150 /nfs/dbraw/zinc/26/41/50/589264150.db2.gz FGTHEKAELSTKAB-UHFFFAOYSA-N 1 0 230.275 0.777 20 30 BCEDRO Cc1cc(NN=C2CCN(C)C2=O)cc[nH+]1 ZINC000863159435 589264359 /nfs/dbraw/zinc/26/43/59/589264359.db2.gz QUQPCQODERVKFJ-UHFFFAOYSA-N 1 0 218.260 0.442 20 30 BCEDRO O=C1CN=C(NN=C2CCC[N@@H+]3CCCC[C@@H]23)N1 ZINC000863176656 589268878 /nfs/dbraw/zinc/26/88/78/589268878.db2.gz YYAQYWAVHNEYND-JTQLQIEISA-N 1 0 249.318 0.066 20 30 BCEDRO COCC(COC)NN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000863195431 589270697 /nfs/dbraw/zinc/27/06/97/589270697.db2.gz ZACCEPRUIUQMOX-LBPRGKRZSA-N 1 0 241.335 0.462 20 30 BCEDRO C#CC[C@@H](COC)NC(=S)NCC[NH+](C)C ZINC000863251150 589274475 /nfs/dbraw/zinc/27/44/75/589274475.db2.gz MFZVSHMIRNQBLK-JTQLQIEISA-N 1 0 243.376 0.050 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)CSC ZINC000863589691 589301043 /nfs/dbraw/zinc/30/10/43/589301043.db2.gz VEGRPVUAPASXTL-NXEZZACHSA-N 1 0 217.334 0.338 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](O)COCC ZINC000863589371 589302508 /nfs/dbraw/zinc/30/25/08/589302508.db2.gz NJTJVPRQHCMCQX-VXGBXAGGSA-N 1 0 229.320 0.402 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](O)COC(C)C ZINC000863588552 589302719 /nfs/dbraw/zinc/30/27/19/589302719.db2.gz BSDFPHIPUAVEJN-CHWSQXEVSA-N 1 0 243.347 0.790 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)COCC ZINC000863589369 589302879 /nfs/dbraw/zinc/30/28/79/589302879.db2.gz NJTJVPRQHCMCQX-NWDGAFQWSA-N 1 0 229.320 0.402 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]CCS(C)(=O)=O ZINC000863589739 589302895 /nfs/dbraw/zinc/30/28/95/589302895.db2.gz WKSHHEUUWVLFGU-JTQLQIEISA-N 1 0 233.333 0.049 20 30 BCEDRO N#Cc1ccc(CN2CC[C@@H]3C[NH2+]C[C@@H]32)o1 ZINC000863642040 589306502 /nfs/dbraw/zinc/30/65/02/589306502.db2.gz PGYSTKTVCNWNEL-SKDRFNHKSA-N 1 0 217.272 0.945 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2CC[C@@H](O)[C@@H]21 ZINC000863733632 589313912 /nfs/dbraw/zinc/31/39/12/589313912.db2.gz SUZBSVAGCPLJFN-QJPTWQEYSA-N 1 0 238.331 0.476 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)C(=C)C[NH+](C)C ZINC000863781149 589317241 /nfs/dbraw/zinc/31/72/41/589317241.db2.gz ITIQNAHISUSFIK-GFCCVEGCSA-N 1 0 238.331 0.649 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)[C@@H](CC)[NH+](C)C ZINC000863785096 589317851 /nfs/dbraw/zinc/31/78/51/589317851.db2.gz ADGGUWCJKAMOFL-NWDGAFQWSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)C[NH+](C)C ZINC000863788665 589318172 /nfs/dbraw/zinc/31/81/72/589318172.db2.gz RNFPSSJUBKLQNQ-SNVBAGLBSA-N 1 0 212.293 0.093 20 30 BCEDRO C=CCCCC(=O)NCC[N@H+]1CC[C@H](O)C1 ZINC000863832495 589322406 /nfs/dbraw/zinc/32/24/06/589322406.db2.gz YFKKNUYZTOHVAW-NSHDSACASA-N 1 0 226.320 0.526 20 30 BCEDRO C#CCC[C@H](O)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000863913859 589325772 /nfs/dbraw/zinc/32/57/72/589325772.db2.gz VGKYCWRMWFRJDF-LBPRGKRZSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCC(CC#C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000863922220 589326520 /nfs/dbraw/zinc/32/65/20/589326520.db2.gz SMHDMLYZAUJJNL-WDNDVIMCSA-N 1 0 244.338 0.668 20 30 BCEDRO C#Cc1ccc(C(=O)NCC2([NH2+]C)CCC2)nc1 ZINC000863923623 589326922 /nfs/dbraw/zinc/32/69/22/589326922.db2.gz YNYLZWZNNIPHMV-UHFFFAOYSA-N 1 0 243.310 0.935 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)C[C@](C)(O)C1CC1)C1CC1 ZINC000863970113 589330015 /nfs/dbraw/zinc/33/00/15/589330015.db2.gz PMPJTCJTMLMNPK-KBPBESRZSA-N 1 0 237.343 0.996 20 30 BCEDRO CCNC(NC1CN(c2ccncn2)C1)=[NH+]CC ZINC000864358317 589355383 /nfs/dbraw/zinc/35/53/83/589355383.db2.gz TZZNATRUARXPIN-UHFFFAOYSA-N 1 0 248.334 0.240 20 30 BCEDRO C[NH+](C)CCCNC(=O)[C@]1(C#N)CCCOC1 ZINC000864415982 589360816 /nfs/dbraw/zinc/36/08/16/589360816.db2.gz KTYNNPISIUGGMU-LBPRGKRZSA-N 1 0 239.319 0.375 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])N1CC[C@@H](CC)C1 ZINC000864462812 589369734 /nfs/dbraw/zinc/36/97/34/589369734.db2.gz PJHFNTWCSDKFHK-SNVBAGLBSA-N 1 0 238.335 0.545 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864463308 589369977 /nfs/dbraw/zinc/36/99/77/589369977.db2.gz VDQAHJUIBDBJSK-UTLUCORTSA-N 1 0 211.309 0.693 20 30 BCEDRO N#Cc1cc(C(=O)NCC[NH+]2CCCC2)co1 ZINC000864612078 589383591 /nfs/dbraw/zinc/38/35/91/589383591.db2.gz RQVZIQPXXLFNAH-UHFFFAOYSA-N 1 0 233.271 0.977 20 30 BCEDRO C[C@H](CNC(=O)c1coc(C#N)c1)[NH+](C)C ZINC000864827476 589396868 /nfs/dbraw/zinc/39/68/68/589396868.db2.gz ICOLWJFSLQBSKC-MRVPVSSYSA-N 1 0 221.260 0.831 20 30 BCEDRO C#CCNC(=S)N1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000865267599 589417389 /nfs/dbraw/zinc/41/73/89/589417389.db2.gz RMVVUWYXNGPJTQ-WDEREUQCSA-N 1 0 237.372 0.520 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CCC(C)(C)C[NH2+]1 ZINC000865343560 589422730 /nfs/dbraw/zinc/42/27/30/589422730.db2.gz OWLMDLTZHVEZKF-SNVBAGLBSA-N 1 0 223.320 0.697 20 30 BCEDRO C#CCNC(=O)N1CC[NH2+]C[C@H]1C(C)C ZINC000865343497 589422872 /nfs/dbraw/zinc/42/28/72/589422872.db2.gz LAFPDQDEWDASRC-JTQLQIEISA-N 1 0 209.293 0.259 20 30 BCEDRO CN(C)c1ccc(C#N)cc1C[NH2+]CCO ZINC000865403800 589433715 /nfs/dbraw/zinc/43/37/15/589433715.db2.gz POUSLDATLUDZEG-UHFFFAOYSA-N 1 0 219.288 0.706 20 30 BCEDRO C=CC[C@H](C)NC(=O)/C=C\CN1CCOCC1 ZINC000865926729 589468929 /nfs/dbraw/zinc/46/89/29/589468929.db2.gz YLIJQXJIASEKCY-RNZFLTOJSA-N 1 0 238.331 0.956 20 30 BCEDRO C=CC[C@@H](C)NC(=O)/C=C\CN1CCOCC1 ZINC000865926730 589468947 /nfs/dbraw/zinc/46/89/47/589468947.db2.gz YLIJQXJIASEKCY-TXNVCOODSA-N 1 0 238.331 0.956 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3nccnc3C#N)CC[C@@H]21 ZINC000866204964 589480218 /nfs/dbraw/zinc/48/02/18/589480218.db2.gz IHBULMNQCCONBY-PWSUYJOCSA-N 1 0 243.314 0.879 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(c3cncc(C#N)n3)CC[C@@H]21 ZINC000866205772 589480322 /nfs/dbraw/zinc/48/03/22/589480322.db2.gz AGYHOBWLSBGVEN-JQWIXIFHSA-N 1 0 243.314 0.879 20 30 BCEDRO N#CCCN1CCN(c2cc[nH+]c(CO)c2)CC1 ZINC000866217039 589481069 /nfs/dbraw/zinc/48/10/69/589481069.db2.gz KETHTHZVSKOJAN-UHFFFAOYSA-N 1 0 246.314 0.610 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)CS(=O)(=O)CC ZINC000121080317 589493282 /nfs/dbraw/zinc/49/32/82/589493282.db2.gz NHUXPKJDNZIJNI-SNVBAGLBSA-N 1 0 249.401 0.766 20 30 BCEDRO C#CCN(CC)S(=O)(=O)CCC[NH+](C)C ZINC000866590610 589501826 /nfs/dbraw/zinc/50/18/26/589501826.db2.gz VTKSZGNDQCZZNV-UHFFFAOYSA-N 1 0 232.349 0.223 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+][C@H]1Cc2ccc(C#N)cc2C1 ZINC000866613307 589505166 /nfs/dbraw/zinc/50/51/66/589505166.db2.gz ARSYNPNDDKQBFE-ZANVPECISA-N 1 0 243.310 0.879 20 30 BCEDRO C=CCN(CCOC)C(=O)[C@H](O)c1cnc[nH]1 ZINC000867755188 589533046 /nfs/dbraw/zinc/53/30/46/589533046.db2.gz FJWCFSMZILACPZ-SNVBAGLBSA-N 1 0 239.275 0.104 20 30 BCEDRO CCNC(=O)[C@@H]1[NH2+]CCc2cc(C#N)ccc21 ZINC000867953224 589541463 /nfs/dbraw/zinc/54/14/63/589541463.db2.gz QOVQESIMHFJWLY-GFCCVEGCSA-N 1 0 229.283 0.881 20 30 BCEDRO N#Cc1cc(C(=O)NC[C@@H]2CCC[NH2+]2)co1 ZINC000867962498 589541706 /nfs/dbraw/zinc/54/17/06/589541706.db2.gz CGVZFHCMNWZHIW-VIFPVBQESA-N 1 0 219.244 0.633 20 30 BCEDRO N#CCc1ccsc1C(=O)N[C@H]1CC[NH2+]C1 ZINC000867965226 589541756 /nfs/dbraw/zinc/54/17/56/589541756.db2.gz BOIPZPXWTANGIZ-VIFPVBQESA-N 1 0 235.312 0.906 20 30 BCEDRO C[NH2+][C@H]1CCN(C(=O)c2coc(C#N)c2)C1 ZINC000867966037 589541781 /nfs/dbraw/zinc/54/17/81/589541781.db2.gz LRZYNEBDJIDLDM-VIFPVBQESA-N 1 0 219.244 0.585 20 30 BCEDRO C[C@@]1(C[NH3+])CCN(C(=O)c2coc(C#N)c2)C1 ZINC000867973334 589541965 /nfs/dbraw/zinc/54/19/65/589541965.db2.gz WZIYZYXCKRSKHS-LBPRGKRZSA-N 1 0 233.271 0.962 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)c1coc(C#N)c1 ZINC000867968164 589541997 /nfs/dbraw/zinc/54/19/97/589541997.db2.gz ACLRHBHVWPLLAI-KCJUWKMLSA-N 1 0 233.271 0.879 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000868041145 589545754 /nfs/dbraw/zinc/54/57/54/589545754.db2.gz VQZFGPREJQITPI-NWDGAFQWSA-N 1 0 233.315 0.702 20 30 BCEDRO C[C@@H](C[NH3+])C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868038243 589545845 /nfs/dbraw/zinc/54/58/45/589545845.db2.gz OMNHWHCBERSGEA-TVQRCGJNSA-N 1 0 243.310 0.736 20 30 BCEDRO C[NH2+][C@@H](C)C(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000868037975 589545954 /nfs/dbraw/zinc/54/59/54/589545954.db2.gz JYCFDSRCMWFXEC-TVQRCGJNSA-N 1 0 243.310 0.750 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[C@@](C)([NH3+])C1 ZINC000868075504 589548196 /nfs/dbraw/zinc/54/81/96/589548196.db2.gz KHIVVPWTDVHHKU-ZYHUDNBSSA-N 1 0 226.320 0.917 20 30 BCEDRO C=CCOCCCC(=O)N1CC[C@](C)([NH3+])C1 ZINC000868076787 589548248 /nfs/dbraw/zinc/54/82/48/589548248.db2.gz JWWHITDBTZQVQD-LBPRGKRZSA-N 1 0 226.320 0.919 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(C(=O)c3coc(C#N)c3)[C@@H]2C1 ZINC000868519452 589562564 /nfs/dbraw/zinc/56/25/64/589562564.db2.gz BTGVTLSGNOMFBK-BXKDBHETSA-N 1 0 245.282 0.927 20 30 BCEDRO C=CCONC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000868763015 589575601 /nfs/dbraw/zinc/57/56/01/589575601.db2.gz BHOQWGAKTQXFMQ-UHFFFAOYSA-N 1 0 238.291 0.292 20 30 BCEDRO C=CCONC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000868763227 589575841 /nfs/dbraw/zinc/57/58/41/589575841.db2.gz FPXDUDYKUKVNNZ-VHSXEESVSA-N 1 0 212.293 0.951 20 30 BCEDRO C#CCONC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000869252062 589594030 /nfs/dbraw/zinc/59/40/30/589594030.db2.gz BQDFPVMTGLEUHF-VHSXEESVSA-N 1 0 210.277 0.398 20 30 BCEDRO N#Cc1cc(C(=O)N2CCC[C@@H]2C[NH3+])co1 ZINC000870937466 589696685 /nfs/dbraw/zinc/69/66/85/589696685.db2.gz KEIVGRHVZGNZGW-SECBINFHSA-N 1 0 219.244 0.715 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)co1 ZINC000870913491 589696708 /nfs/dbraw/zinc/69/67/08/589696708.db2.gz CAQZWCZDPHPTMA-SKDRFNHKSA-N 1 0 245.282 0.975 20 30 BCEDRO N#Cc1cc(C(=O)N2CCC[C@@H](C[NH3+])C2)co1 ZINC000870934249 589698248 /nfs/dbraw/zinc/69/82/48/589698248.db2.gz IFZJBVKRTZJXIG-VIFPVBQESA-N 1 0 233.271 0.962 20 30 BCEDRO C[C@@H]1C[NH2+]CC[C@@H]1NC(=O)c1coc(C#N)c1 ZINC000870940035 589699183 /nfs/dbraw/zinc/69/91/83/589699183.db2.gz GYUOOBGZAVTNMD-KCJUWKMLSA-N 1 0 233.271 0.879 20 30 BCEDRO CN(C(=O)c1coc(C#N)c1)[C@@H](C[NH3+])C1CC1 ZINC000870947336 589700891 /nfs/dbraw/zinc/70/08/91/589700891.db2.gz ZOOXQQRFBQMOCM-NSHDSACASA-N 1 0 233.271 0.961 20 30 BCEDRO CN(CC(C)(C)[NH3+])C(=O)c1coc(C#N)c1 ZINC000870951488 589701090 /nfs/dbraw/zinc/70/10/90/589701090.db2.gz BWACBHLTRBPSQM-UHFFFAOYSA-N 1 0 221.260 0.961 20 30 BCEDRO CC#CC(=O)N1CC[N@H+](C)C(C)(C)CC1 ZINC000871156457 589740214 /nfs/dbraw/zinc/74/02/14/589740214.db2.gz APZMUDPRZJOHSI-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[N@@H+](C)C(C)(C)CC1 ZINC000871158366 589741349 /nfs/dbraw/zinc/74/13/49/589741349.db2.gz ZMZQJYAOCVMTRA-SNVBAGLBSA-N 1 0 226.320 0.476 20 30 BCEDRO COCCN(C)C(=[NH2+])NCC(C)(C)C#N ZINC000871604844 589773899 /nfs/dbraw/zinc/77/38/99/589773899.db2.gz HKAYNEUQDNXKLF-UHFFFAOYSA-N 1 0 212.297 0.639 20 30 BCEDRO COCCN(C)C(=[NH2+])NCC1(C#N)CCC1 ZINC000871610328 589775614 /nfs/dbraw/zinc/77/56/14/589775614.db2.gz YJYPRVIIYJWZAV-UHFFFAOYSA-N 1 0 224.308 0.783 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000871930665 589833768 /nfs/dbraw/zinc/83/37/68/589833768.db2.gz ZDCJDKCCPYEIFJ-MNOVXSKESA-N 1 0 246.314 0.446 20 30 BCEDRO C=C(C)COCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872203401 589890791 /nfs/dbraw/zinc/89/07/91/589890791.db2.gz XKQIFHWZKIZTHL-NSHDSACASA-N 1 0 231.336 0.691 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)[C@@H]1CCCO1 ZINC000872206651 589892064 /nfs/dbraw/zinc/89/20/64/589892064.db2.gz ZIDPSYVSAHWXKB-SRVKXCTJSA-N 1 0 241.331 0.279 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CC(C)(C)O)[C@H]1CCCO1 ZINC000872206650 589892089 /nfs/dbraw/zinc/89/20/89/589892089.db2.gz ZIDPSYVSAHWXKB-SDDRHHMPSA-N 1 0 241.331 0.279 20 30 BCEDRO CC(C)(O)C[C@@H](O)C[NH2+]CCCC#N ZINC000872206166 589892412 /nfs/dbraw/zinc/89/24/12/589892412.db2.gz PPYREJUZLZCOSA-SECBINFHSA-N 1 0 200.282 0.402 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872209186 589893375 /nfs/dbraw/zinc/89/33/75/589893375.db2.gz MQCXXDDZAIZAMT-LBPRGKRZSA-N 1 0 242.363 0.053 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@H]1CCSC1 ZINC000872216909 589895972 /nfs/dbraw/zinc/89/59/72/589895972.db2.gz ICUOCYNZEGCVOL-NSHDSACASA-N 1 0 240.372 0.859 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1[C@@H]2OC[C@@H]3C[C@H]1C[C@@H]32 ZINC000872221752 589896545 /nfs/dbraw/zinc/89/65/45/589896545.db2.gz JNDLQCPULBMPSD-FFNLUWKOSA-N 1 0 248.326 0.139 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1[C@@H]2OC[C@H]3C[C@H]1C[C@H]23 ZINC000872221753 589896642 /nfs/dbraw/zinc/89/66/42/589896642.db2.gz JNDLQCPULBMPSD-FUVSOYRFSA-N 1 0 248.326 0.139 20 30 BCEDRO COC(=O)C1CC([NH2+]C[C@@H](C#N)CCC#N)C1 ZINC000872227618 589897737 /nfs/dbraw/zinc/89/77/37/589897737.db2.gz OQNBFBGBBCQZDY-KPPDAEKUSA-N 1 0 235.287 0.971 20 30 BCEDRO COC[C@H](O)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000872239085 589899100 /nfs/dbraw/zinc/89/91/00/589899100.db2.gz NLKMABRVLFCYGB-ZIAGYGMSSA-N 1 0 246.310 0.622 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CC(C)(C)CO1 ZINC000872243627 589899462 /nfs/dbraw/zinc/89/94/62/589899462.db2.gz RFIPMPCTIYXORL-LLVKDONJSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC12CCC2 ZINC000872252393 589900396 /nfs/dbraw/zinc/90/03/96/589900396.db2.gz SXLOJLNOXMDLLL-SNVBAGLBSA-N 1 0 206.289 0.658 20 30 BCEDRO C[C@]12C[NH2+]C[C@@]1(C)CN(C(=O)C#CC1CC1)C2 ZINC000872264700 589902294 /nfs/dbraw/zinc/90/22/94/589902294.db2.gz ZAWLEIXJWXSTQC-OKILXGFUSA-N 1 0 232.327 0.858 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@]12CCC[C@H]1OCC2 ZINC000872288011 589906695 /nfs/dbraw/zinc/90/66/95/589906695.db2.gz RVCSKMPSOILKGM-UZWSLXQKSA-N 1 0 249.314 0.173 20 30 BCEDRO COCC#CC[NH2+][C@]12CCC[C@H]1OCC2 ZINC000872315612 589909828 /nfs/dbraw/zinc/90/98/28/589909828.db2.gz XVLXNCDHVHAICK-NEPJUHHUSA-N 1 0 209.289 0.937 20 30 BCEDRO c1nncn1[NH+]=C1CCCN2CCSC[C@@H]12 ZINC000872323832 589912520 /nfs/dbraw/zinc/91/25/20/589912520.db2.gz AQQXRCOFORQMQQ-JTQLQIEISA-N 1 0 237.332 0.693 20 30 BCEDRO C[C@@H]1C(N=Nc2ncnc3[nH]cnc32)CC[N@@H+]1C ZINC000872344558 589915937 /nfs/dbraw/zinc/91/59/37/589915937.db2.gz KZQMLFOEDUVJLX-SSDOTTSWSA-N 1 0 245.290 0.845 20 30 BCEDRO NC(=O)CON=C1CCC[N@@H+]2CCSC[C@H]12 ZINC000872362061 589919282 /nfs/dbraw/zinc/91/92/82/589919282.db2.gz CECBFTIQWHWFNI-SECBINFHSA-N 1 0 243.332 0.056 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2c[nH]c3ncncc23)N1 ZINC000872364800 589920366 /nfs/dbraw/zinc/92/03/66/589920366.db2.gz UKCZGMVFNPDMQE-ZETCQYMHSA-N 1 0 243.274 0.181 20 30 BCEDRO C[C@H]1C(N=Nc2cnn(C)c2)CC[N@@H+]1C ZINC000872369522 589923296 /nfs/dbraw/zinc/92/32/96/589923296.db2.gz LOZSTYTVMHHHGD-QMMMGPOBSA-N 1 0 207.281 0.912 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]NCC(C)(C)CO ZINC000872371892 589923834 /nfs/dbraw/zinc/92/38/34/589923834.db2.gz TTWWLYNPMGDNSU-UHFFFAOYSA-N 1 0 236.319 0.914 20 30 BCEDRO C[C@@H]1C(N=Nc2ccncn2)CC[N@@H+]1C ZINC000872381161 589927827 /nfs/dbraw/zinc/92/78/27/589927827.db2.gz XMZWRLZFZNAMTE-MRVPVSSYSA-N 1 0 205.265 0.969 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]N[C@@H]1CCC[C@H]1O ZINC000872385775 589929322 /nfs/dbraw/zinc/92/93/22/589929322.db2.gz POQXVPFDCSBQGO-GHMZBOCLSA-N 1 0 234.303 0.809 20 30 BCEDRO Cc1ccnc(N)c1C=[NH+]NCC(C)(C)O ZINC000872392026 589931056 /nfs/dbraw/zinc/93/10/56/589931056.db2.gz RXYAFHPDFMWIIV-UHFFFAOYSA-N 1 0 222.292 0.667 20 30 BCEDRO C=CCCn1cc(C[NH2+]C[C@H]2C[C@H](O)C2)nn1 ZINC000873178739 589990682 /nfs/dbraw/zinc/99/06/82/589990682.db2.gz ZOFYTXLHEUSESL-UMSPYCQHSA-N 1 0 236.319 0.715 20 30 BCEDRO C#C[C@H]1COCCN1CC12CC(C1)C[NH2+]2 ZINC000873212925 589996866 /nfs/dbraw/zinc/99/68/66/589996866.db2.gz CQDPDFIPAAWULS-CXQJBGSLSA-N 1 0 206.289 0.072 20 30 BCEDRO CC[C@@](C)(C#N)NC(=O)C[NH+]1CCCC1 ZINC000874261596 590100465 /nfs/dbraw/zinc/10/04/65/590100465.db2.gz VCWKDVSRYOMHOK-NSHDSACASA-N 1 0 209.293 0.891 20 30 BCEDRO C#CCN1CCN(C(=O)C2(C[NH+](C)C)CC2)CC1 ZINC000874468898 590114158 /nfs/dbraw/zinc/11/41/58/590114158.db2.gz UQJKUBCSLXFENP-UHFFFAOYSA-N 1 0 249.358 0.106 20 30 BCEDRO CC[C@@H]1COCCN1CCNC(=O)CC#N ZINC000874706958 590125232 /nfs/dbraw/zinc/12/52/32/590125232.db2.gz BUUHMAVPVGXWKG-SNVBAGLBSA-N 1 0 225.292 0.127 20 30 BCEDRO C[NH2+]C[C@H]1CCN(C(=O)C#CC2CC2)C1 ZINC000876525505 590208575 /nfs/dbraw/zinc/20/85/75/590208575.db2.gz FBQVSFRNFRZRGT-LLVKDONJSA-N 1 0 206.289 0.468 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nncs1 ZINC000876544599 590213200 /nfs/dbraw/zinc/21/32/00/590213200.db2.gz XKKWFNAURIBEMX-YFKPBYRVSA-N 1 0 232.696 0.947 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC1CCOCC1 ZINC000876592338 590219462 /nfs/dbraw/zinc/21/94/62/590219462.db2.gz HVGDZXRIXSXJCG-JTQLQIEISA-N 1 0 246.738 0.999 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCC(=O)N(C)C ZINC000876603087 590220800 /nfs/dbraw/zinc/22/08/00/590220800.db2.gz YYVNDJLZOCTYQS-QMMMGPOBSA-N 1 0 247.726 0.051 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)COC ZINC000876622303 590223030 /nfs/dbraw/zinc/22/30/30/590223030.db2.gz DXIRSVVIRBHFGL-VXNVDRBHSA-N 1 0 234.727 0.855 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@@H](C)C(=O)OC ZINC000876641906 590225812 /nfs/dbraw/zinc/22/58/12/590225812.db2.gz PXCHHFXLMCKMGA-HTRCEHHLSA-N 1 0 248.710 0.382 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](CCO)C(C)C ZINC000876656026 590226753 /nfs/dbraw/zinc/22/67/53/590226753.db2.gz CAAZWZYYNBPYRV-NXEZZACHSA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@]1(C)CCOC1 ZINC000876658848 590227551 /nfs/dbraw/zinc/22/75/51/590227551.db2.gz HVNVZPARWKSVAB-KOLCDFICSA-N 1 0 246.738 0.999 20 30 BCEDRO CCCCNC(=[NH2+])NC[C@@]1(CCO)CCOC1 ZINC000126134351 590237383 /nfs/dbraw/zinc/23/73/83/590237383.db2.gz YSQKEKKTEWAGSO-GFCCVEGCSA-N 1 0 243.351 0.480 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)c1cnn(C)c1 ZINC000876770329 590239425 /nfs/dbraw/zinc/23/94/25/590239425.db2.gz CVWIPANPPZFLFS-SECBINFHSA-N 1 0 242.710 0.853 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)c1nc[nH]n1 ZINC000876778962 590240535 /nfs/dbraw/zinc/24/05/35/590240535.db2.gz SULSIPWAFQJDHD-BQBZGAKWSA-N 1 0 243.698 0.452 20 30 BCEDRO CC(C)(C)C#CC(=O)NC[C@H]([NH3+])C1CC1 ZINC000876791639 590241762 /nfs/dbraw/zinc/24/17/62/590241762.db2.gz OCROUKQPCMLFLN-JTQLQIEISA-N 1 0 208.305 0.889 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)C12CC(C1)C2 ZINC000876801403 590243152 /nfs/dbraw/zinc/24/31/52/590243152.db2.gz BVICUPAEZNHEDL-VCZAYRLQSA-N 1 0 205.261 0.014 20 30 BCEDRO C[C@@H]1C[C@@H]1[C@@H]1C[C@@H]1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000876801763 590243386 /nfs/dbraw/zinc/24/33/86/590243386.db2.gz ILNMVORKBXZSIE-VXXUGFECSA-N 1 0 233.315 0.506 20 30 BCEDRO CCn1ncc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1C ZINC000876801466 590243473 /nfs/dbraw/zinc/24/34/73/590243473.db2.gz CXFWCBFHTWAVKA-KOLCDFICSA-N 1 0 247.302 0.053 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1ocnc1C1CC1 ZINC000876802808 590243975 /nfs/dbraw/zinc/24/39/75/590243975.db2.gz SEWPHYJRBIHBDK-RKDXNWHRSA-N 1 0 246.270 0.393 20 30 BCEDRO CC(C)c1nocc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876803335 590244161 /nfs/dbraw/zinc/24/41/61/590244161.db2.gz VVITZKVCEDUWLC-SCZZXKLOSA-N 1 0 248.286 0.639 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(F)cc1N ZINC000876803956 590244331 /nfs/dbraw/zinc/24/43/31/590244331.db2.gz ZWCDXFWTDCZTDZ-WRWORJQWSA-N 1 0 248.261 0.249 20 30 BCEDRO O=C(C#CC1CC1)N1CC[C@]2(CC[NH2+]C2)C1 ZINC000876805921 590244604 /nfs/dbraw/zinc/24/46/04/590244604.db2.gz IKNFMGIZSLLZTJ-ZDUSSCGKSA-N 1 0 218.300 0.612 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](C)c1ncon1 ZINC000876806834 590244842 /nfs/dbraw/zinc/24/48/42/590244842.db2.gz VFJTYRXPPLWAGL-RQJHMYQMSA-N 1 0 244.682 0.717 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)c1ncon1 ZINC000876806832 590244859 /nfs/dbraw/zinc/24/48/59/590244859.db2.gz VFJTYRXPPLWAGL-RNFRBKRXSA-N 1 0 244.682 0.717 20 30 BCEDRO [NH3+][C@H]1CCC[C@H](NC(=O)C#CC2CC2)C1 ZINC000876828707 590245702 /nfs/dbraw/zinc/24/57/02/590245702.db2.gz FUCGQFOQFWELIH-QWRGUYRKSA-N 1 0 206.289 0.786 20 30 BCEDRO C[C@H]1[NH2+]CCN(C(=O)c2coc(C#N)c2)[C@H]1C ZINC000876831967 590247580 /nfs/dbraw/zinc/24/75/80/590247580.db2.gz MJBBBXHWHOUBLX-BDAKNGLRSA-N 1 0 233.271 0.974 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)N(C)C ZINC000876888668 590254177 /nfs/dbraw/zinc/25/41/77/590254177.db2.gz UQBRGLSUKKRBCV-JGVFFNPUSA-N 1 0 247.726 0.049 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)OC ZINC000876908501 590255882 /nfs/dbraw/zinc/25/58/82/590255882.db2.gz NEHDRJQXMRFNSC-DJLDLDEBSA-N 1 0 234.727 0.996 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)[C@H](C)OC ZINC000876908502 590256120 /nfs/dbraw/zinc/25/61/20/590256120.db2.gz NEHDRJQXMRFNSC-XHNCKOQMSA-N 1 0 234.727 0.996 20 30 BCEDRO C[C@@H]1CN(C(=O)C#CC(C)(C)C)C[C@H]1[NH3+] ZINC000876915428 590256293 /nfs/dbraw/zinc/25/62/93/590256293.db2.gz RQRDZHUJJKTTGG-NXEZZACHSA-N 1 0 208.305 0.842 20 30 BCEDRO O=C(C#CC1CC1)NCCC[NH2+]C1CC1 ZINC000876939307 590259348 /nfs/dbraw/zinc/25/93/48/590259348.db2.gz VWTAZWFQEYDIGP-UHFFFAOYSA-N 1 0 206.289 0.658 20 30 BCEDRO C#CCNC(=O)Cc1cccc2c1CC[NH2+]C2 ZINC000876942721 590259454 /nfs/dbraw/zinc/25/94/54/590259454.db2.gz CKMQTXBSRYABTG-UHFFFAOYSA-N 1 0 228.295 0.624 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000876945506 590259793 /nfs/dbraw/zinc/25/97/93/590259793.db2.gz DBMZQROJSCBMHU-KYXWUPHJSA-N 1 0 244.722 0.892 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1C[C@H]2CC[C@@H]1O2 ZINC000876945507 590259968 /nfs/dbraw/zinc/25/99/68/590259968.db2.gz DBMZQROJSCBMHU-RGOKHQFPSA-N 1 0 244.722 0.892 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H](CO)C(C)C ZINC000876956680 590260746 /nfs/dbraw/zinc/26/07/46/590260746.db2.gz NYNMITIIFFLZOS-DTWKUNHWSA-N 1 0 234.727 0.589 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC/C=C\CO ZINC000876962007 590261506 /nfs/dbraw/zinc/26/15/06/590261506.db2.gz YDNODVZNAYMNPU-YAJNLLPGSA-N 1 0 218.684 0.121 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H](F)[C@@H]2CC[NH2+]C2)C1 ZINC000876976668 590263464 /nfs/dbraw/zinc/26/34/64/590263464.db2.gz OBTIOQKLELMZIP-JFGNBEQYSA-N 1 0 239.294 0.696 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)[C@@H](F)[C@H]2CC[NH2+]C2)C1 ZINC000876976667 590263617 /nfs/dbraw/zinc/26/36/17/590263617.db2.gz OBTIOQKLELMZIP-JBLDHEPKSA-N 1 0 239.294 0.696 20 30 BCEDRO [NH3+][C@@]12CCC[C@@H]1CN(C(=O)C#CC1CC1)C2 ZINC000876984031 590264762 /nfs/dbraw/zinc/26/47/62/590264762.db2.gz CWHAELBYOFBUDZ-DGCLKSJQSA-N 1 0 218.300 0.740 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)N1C[C@@H]2C[C@@H]2C1 ZINC000876994533 590266490 /nfs/dbraw/zinc/26/64/90/590266490.db2.gz KTHGZUJCOLYPLX-TXEJJXNPSA-N 1 0 218.300 0.468 20 30 BCEDRO C=CCCCC(=O)NCCOCCC[NH3+] ZINC000877052015 590274675 /nfs/dbraw/zinc/27/46/75/590274675.db2.gz QHBDTRHCFIXTDN-UHFFFAOYSA-N 1 0 214.309 0.824 20 30 BCEDRO C#CCCC[NH2+]Cc1cc(C(=O)OC)no1 ZINC000877070803 590277650 /nfs/dbraw/zinc/27/76/50/590277650.db2.gz WFNKBZSZDAGWAR-UHFFFAOYSA-N 1 0 222.244 0.964 20 30 BCEDRO C=CCCOCC(=O)N(C)C[C@H](C)[NH3+] ZINC000877098801 590282570 /nfs/dbraw/zinc/28/25/70/590282570.db2.gz GGPLFJLMEVDDCB-VIFPVBQESA-N 1 0 200.282 0.385 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H](F)[C@@H]1CC[NH2+]C1 ZINC000877145869 590292169 /nfs/dbraw/zinc/29/21/69/590292169.db2.gz QPOXMXIPVUSAQN-OPRDCNLKSA-N 1 0 227.283 0.695 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000877145867 590292279 /nfs/dbraw/zinc/29/22/79/590292279.db2.gz QPOXMXIPVUSAQN-BBBLOLIVSA-N 1 0 227.283 0.695 20 30 BCEDRO CN(C(=O)[C@@H](N)C[NH+](C)C)[C@H]1CCC[C@H]1C#N ZINC000877196793 590299316 /nfs/dbraw/zinc/29/93/16/590299316.db2.gz KIJNDVZZKGAOOP-DCAQKATOSA-N 1 0 238.335 0.026 20 30 BCEDRO C[NH2+]CC(=O)N(C)CCc1cccc(C#N)c1 ZINC000877223964 590301529 /nfs/dbraw/zinc/30/15/29/590301529.db2.gz RISHPQGJQLZDBY-UHFFFAOYSA-N 1 0 231.299 0.779 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280689 590306468 /nfs/dbraw/zinc/30/64/68/590306468.db2.gz ITZHESJDKUEPDU-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCCNC(=O)C1)[C@H]1CCCO1 ZINC000877415747 590324960 /nfs/dbraw/zinc/32/49/60/590324960.db2.gz DYFSEQDEYJQHRI-SDDRHHMPSA-N 1 0 236.315 0.426 20 30 BCEDRO C#C[C@@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000877514500 590343229 /nfs/dbraw/zinc/34/32/29/590343229.db2.gz PWYFMHQYERSYKO-LLVKDONJSA-N 1 0 210.321 0.709 20 30 BCEDRO C#C[C@@H]([NH2+][C@H](C)Cn1cncn1)C(C)C ZINC000877513336 590344047 /nfs/dbraw/zinc/34/40/47/590344047.db2.gz ROVFHZOSNJHIPC-GHMZBOCLSA-N 1 0 206.293 0.914 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1ccc(S(N)(=O)=O)cc1 ZINC000877513516 590344945 /nfs/dbraw/zinc/34/49/45/590344945.db2.gz ALWZHAKTDJPTEH-VIFPVBQESA-N 1 0 238.312 0.445 20 30 BCEDRO CCN(OC)C(=O)C[NH2+]C[C@H](C)CCC#N ZINC000877606896 590371940 /nfs/dbraw/zinc/37/19/40/590371940.db2.gz OEZWVGDSXGZEDD-SNVBAGLBSA-N 1 0 227.308 0.926 20 30 BCEDRO C#Cc1ccc(CN2CC[N@@H+](C)C[C@H]2CO)cc1 ZINC000877643746 590382416 /nfs/dbraw/zinc/38/24/16/590382416.db2.gz IAWBSHDTZCBDRN-HNNXBMFYSA-N 1 0 244.338 0.776 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+][C@@H]1CCCNC(=O)C1 ZINC000877661052 590386732 /nfs/dbraw/zinc/38/67/32/590386732.db2.gz WDZGQWXYUFFVFC-NWDGAFQWSA-N 1 0 238.331 0.673 20 30 BCEDRO C[C@@H](CCC#N)C[N@H+](C)CCS(N)(=O)=O ZINC000877827028 590428836 /nfs/dbraw/zinc/42/88/36/590428836.db2.gz LDRRNRIKIYNGSZ-VIFPVBQESA-N 1 0 233.337 0.147 20 30 BCEDRO C=CCC[C@H](C)[NH2+]CCS(C)(=O)=O ZINC000126802980 590457301 /nfs/dbraw/zinc/45/73/01/590457301.db2.gz OHGZSNAWXVISCQ-VIFPVBQESA-N 1 0 205.323 0.975 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCN(C(=O)COC)CC1 ZINC000877967196 590461074 /nfs/dbraw/zinc/46/10/74/590461074.db2.gz IORNSKSBPTZZSK-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CC[C@@H](NS(C)(=O)=O)C1 ZINC000878112676 590497136 /nfs/dbraw/zinc/49/71/36/590497136.db2.gz UNAJLRUDTGERSL-VHSXEESVSA-N 1 0 232.349 0.575 20 30 BCEDRO C=CC[C@@H](C)[N@H+](C)C[C@@H](O)CN1CCOCC1 ZINC000878179408 590516976 /nfs/dbraw/zinc/51/69/76/590516976.db2.gz NMEBNOKHMPLBKZ-CHWSQXEVSA-N 1 0 242.363 0.576 20 30 BCEDRO C=CC[C@@H](C)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000878179410 590517064 /nfs/dbraw/zinc/51/70/64/590517064.db2.gz NMEBNOKHMPLBKZ-OLZOCXBDSA-N 1 0 242.363 0.576 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@H](S(=O)(=O)NC)C1 ZINC000878250481 590529630 /nfs/dbraw/zinc/52/96/30/590529630.db2.gz ZZKSQSCYXXZHNE-GHMZBOCLSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NC)C1 ZINC000878289630 590535000 /nfs/dbraw/zinc/53/50/00/590535000.db2.gz DYKJQTCNGFFEQW-UWVGGRQHSA-N 1 0 232.349 0.575 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@@H+]1CCC[C@@](C)(O)C1 ZINC000878328257 590547493 /nfs/dbraw/zinc/54/74/93/590547493.db2.gz FZXCTFFXQHDNSX-CMPLNLGQSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CC[C@H](S(=O)(=O)NCC)C1 ZINC000878340697 590550690 /nfs/dbraw/zinc/55/06/90/590550690.db2.gz UELIWGZXJDPTHJ-QWRGUYRKSA-N 1 0 246.376 0.965 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H]([C@H](C)O)C1 ZINC000878391000 590558542 /nfs/dbraw/zinc/55/85/42/590558542.db2.gz GLZXRRHVSKAKMA-GARJFASQSA-N 1 0 227.304 0.807 20 30 BCEDRO C=CC[C@H](C)[N@H+]1CCO[C@@H](C(=O)NC)C1 ZINC000878397573 590559664 /nfs/dbraw/zinc/55/96/64/590559664.db2.gz WRURSYGWNXJNMS-VHSXEESVSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCN(CC(=O)OC)CC1 ZINC000878458044 590570751 /nfs/dbraw/zinc/57/07/51/590570751.db2.gz JBYNJGBCIGTSMD-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCN(C)CC(=O)NC1CC[NH+](C)CC1 ZINC000878462242 590571999 /nfs/dbraw/zinc/57/19/99/590571999.db2.gz SLKGRLTUNKAHGK-UHFFFAOYSA-N 1 0 225.336 0.315 20 30 BCEDRO C#CCCCCC[N@H+]1CC[C@@H](CO)[C@@H](O)C1 ZINC000878498881 590580628 /nfs/dbraw/zinc/58/06/28/590580628.db2.gz RFNCEXMNSAOQMB-STQMWFEESA-N 1 0 225.332 0.855 20 30 BCEDRO C#CCCCCC[N@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000878498877 590580653 /nfs/dbraw/zinc/58/06/53/590580653.db2.gz RFNCEXMNSAOQMB-OLZOCXBDSA-N 1 0 225.332 0.855 20 30 BCEDRO C=CC[C@H](C(=O)OC)N1C[C@@H](OC)[C@@H](OC)C1 ZINC000878505352 590582154 /nfs/dbraw/zinc/58/21/54/590582154.db2.gz HAJXWJMBMGMXKH-MXWKQRLJSA-N 1 0 243.303 0.450 20 30 BCEDRO C#CC(C)(C)[N@H+](C)C[C@@H](O)CC(C)(C)O ZINC000878514238 590584418 /nfs/dbraw/zinc/58/44/18/590584418.db2.gz PNAJQPVCWQRLSL-JTQLQIEISA-N 1 0 213.321 0.852 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCC[C@]2(C1)NC(=O)NC2=O ZINC000878529969 590587257 /nfs/dbraw/zinc/58/72/57/590587257.db2.gz OFRSCFWYZWAJTR-JOYOIKCWSA-N 1 0 237.303 0.625 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000878529971 590587642 /nfs/dbraw/zinc/58/76/42/590587642.db2.gz OFRSCFWYZWAJTR-SKDRFNHKSA-N 1 0 237.303 0.625 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@H+](CCO)CC1CC1 ZINC000878602215 590595068 /nfs/dbraw/zinc/59/50/68/590595068.db2.gz SOTIZYODXCUCFG-NSHDSACASA-N 1 0 227.304 0.808 20 30 BCEDRO C[C@@H](O)C[NH2+]CCNc1ccc(C#N)cn1 ZINC000127262149 590602950 /nfs/dbraw/zinc/60/29/50/590602950.db2.gz KAGOONHLTFTJLS-SECBINFHSA-N 1 0 220.276 0.336 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@H+]1C[C@H](O)C[C@H](C)C1 ZINC000878691803 590610382 /nfs/dbraw/zinc/61/03/82/590610382.db2.gz SNMYKFCIDKLENW-HBNTYKKESA-N 1 0 227.304 0.807 20 30 BCEDRO CC(C)[C@H](O)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000878760842 590619192 /nfs/dbraw/zinc/61/91/92/590619192.db2.gz CXIYGPAAVNLCTE-VXGBXAGGSA-N 1 0 226.320 0.744 20 30 BCEDRO C#CC1CC[NH+](CCc2nnnn2C)CC1 ZINC000878763380 590620039 /nfs/dbraw/zinc/62/00/39/590620039.db2.gz AXQHCUGRHADHOY-UHFFFAOYSA-N 1 0 219.292 0.098 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878796284 590624942 /nfs/dbraw/zinc/62/49/42/590624942.db2.gz GACSDDUUOFIQMZ-MRVPVSSYSA-N 1 0 219.244 0.310 20 30 BCEDRO C[C@H](CC#N)[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000878820601 590627864 /nfs/dbraw/zinc/62/78/64/590627864.db2.gz NABQHCQWWBOLTO-JLLWLGSASA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCCC[NH+]1CCN(CC(F)(F)CO)CC1 ZINC000878831643 590628369 /nfs/dbraw/zinc/62/83/69/590628369.db2.gz HXIULIUZMYLXCC-UHFFFAOYSA-N 1 0 246.301 0.645 20 30 BCEDRO C#C[C@H]1CCC[N@H+](CCn2cnnn2)C1 ZINC000878844158 590628427 /nfs/dbraw/zinc/62/84/27/590628427.db2.gz RVGZDHXCNKLHPZ-JTQLQIEISA-N 1 0 205.265 0.018 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)CC(C)(C)O)C1 ZINC000878844087 590631529 /nfs/dbraw/zinc/63/15/29/590631529.db2.gz QNGHSLYXYMSYNL-RYUDHWBXSA-N 1 0 225.332 0.854 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@H](O)CC(C)(C)O)C1 ZINC000878844086 590631694 /nfs/dbraw/zinc/63/16/94/590631694.db2.gz QNGHSLYXYMSYNL-NWDGAFQWSA-N 1 0 225.332 0.854 20 30 BCEDRO C=CC[C@@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000878845007 590632179 /nfs/dbraw/zinc/63/21/79/590632179.db2.gz BQRYNZDZKZHCMQ-GRYCIOLGSA-N 1 0 210.321 0.702 20 30 BCEDRO C#CCCCCC[NH2+][C@@]1(C(N)=O)CCOC1 ZINC000878847405 590632451 /nfs/dbraw/zinc/63/24/51/590632451.db2.gz QQHXIZKBUUNZLV-LBPRGKRZSA-N 1 0 224.304 0.414 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@](O)(CN(C)C)C1 ZINC000878867043 590634650 /nfs/dbraw/zinc/63/46/50/590634650.db2.gz ZJOFIIDKINPASS-CYBMUJFWSA-N 1 0 224.348 0.788 20 30 BCEDRO C#CC[N@@H+](C[C@H](COC)OC)C1CSC1 ZINC000878909784 590646460 /nfs/dbraw/zinc/64/64/60/590646460.db2.gz BVEPAFFJDUYNOX-LLVKDONJSA-N 1 0 229.345 0.698 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@H]1CCc2ncnn21 ZINC000878997610 590672689 /nfs/dbraw/zinc/67/26/89/590672689.db2.gz BLEPAYZZUNZCGA-GFCCVEGCSA-N 1 0 248.330 0.737 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCN(c2nccnn2)CC1 ZINC000879030421 590681718 /nfs/dbraw/zinc/68/17/18/590681718.db2.gz JWFOLYFARNHYPR-NSHDSACASA-N 1 0 233.319 0.958 20 30 BCEDRO C=CC[C@@H]1CC[N@H+](CCn2cnnn2)C1 ZINC000879032197 590682393 /nfs/dbraw/zinc/68/23/93/590682393.db2.gz OCVKRBJFBQVJOR-SNVBAGLBSA-N 1 0 207.281 0.571 20 30 BCEDRO CSC1CC[NH+](CC(=O)NCCC#N)CC1 ZINC000879096256 590696631 /nfs/dbraw/zinc/69/66/31/590696631.db2.gz PZFKRBMEJSEJDK-UHFFFAOYSA-N 1 0 241.360 0.844 20 30 BCEDRO C#CCN1CCc2nc(COC)ncc2C1 ZINC000879106499 590698011 /nfs/dbraw/zinc/69/80/11/590698011.db2.gz KHSMGKNRJMIWKX-UHFFFAOYSA-N 1 0 217.272 0.614 20 30 BCEDRO C#CCCC[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000879156248 590704912 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/nfs/dbraw/zinc/76/29/06/590762906.db2.gz QFOMNMAASPOYIV-LLVKDONJSA-N 1 0 238.331 0.673 20 30 BCEDRO CC(C)([NH2+]CC(=O)NCC#N)[C@@H]1CCCCO1 ZINC000879410064 590763286 /nfs/dbraw/zinc/76/32/86/590763286.db2.gz LSEPJDDPHTVHAI-JTQLQIEISA-N 1 0 239.319 0.563 20 30 BCEDRO C=C(Cl)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532090 590794208 /nfs/dbraw/zinc/79/42/08/590794208.db2.gz PHLXJHXMBIAIQP-OCAPTIKFSA-N 1 0 228.679 0.286 20 30 BCEDRO C=C(C)CC[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879535018 590795165 /nfs/dbraw/zinc/79/51/65/590795165.db2.gz CNTGZAVPCPTVOH-AOOOYVTPSA-N 1 0 222.288 0.499 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879537244 590796219 /nfs/dbraw/zinc/79/62/19/590796219.db2.gz WDMMTJXCSYQPIG-LPEHRKFASA-N 1 0 222.288 0.498 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H]2CSC[C@H]2C1 ZINC000879554886 590798805 /nfs/dbraw/zinc/79/88/05/590798805.db2.gz DYSYJVLPDQCKAK-WDEREUQCSA-N 1 0 238.356 0.421 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879554885 590799633 /nfs/dbraw/zinc/79/96/33/590799633.db2.gz DYSYJVLPDQCKAK-QWRGUYRKSA-N 1 0 238.356 0.421 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879572375 590809227 /nfs/dbraw/zinc/80/92/27/590809227.db2.gz PODYNTMEKSJGIY-NWDGAFQWSA-N 1 0 237.347 0.315 20 30 BCEDRO C#CCNC(=O)CCN1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579262 590816088 /nfs/dbraw/zinc/81/60/88/590816088.db2.gz KQCWDFOPOLPOLB-STQMWFEESA-N 1 0 249.358 0.152 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579653 590816341 /nfs/dbraw/zinc/81/63/41/590816341.db2.gz AQDFOZQPDJPRNG-JHJVBQTASA-N 1 0 237.347 0.941 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879579654 590816823 /nfs/dbraw/zinc/81/68/23/590816823.db2.gz AQDFOZQPDJPRNG-UPJWGTAASA-N 1 0 237.347 0.941 20 30 BCEDRO C#CCNC(=O)CCN1CC[C@@H]2[C@@H](CC[N@H+]2C)C1 ZINC000879579260 590818851 /nfs/dbraw/zinc/81/88/51/590818851.db2.gz KQCWDFOPOLPOLB-QWHCGFSZSA-N 1 0 249.358 0.152 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879579651 590819045 /nfs/dbraw/zinc/81/90/45/590819045.db2.gz AQDFOZQPDJPRNG-AGIUHOORSA-N 1 0 237.347 0.941 20 30 BCEDRO C#CCOCC[NH+]1CCC(c2nnnn2C)CC1 ZINC000879916567 590889167 /nfs/dbraw/zinc/88/91/67/590889167.db2.gz HKZYKMQOJAQHHP-UHFFFAOYSA-N 1 0 249.318 0.039 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]2CS(=O)(=O)C[C@H]2C1 ZINC000879931489 590890697 /nfs/dbraw/zinc/89/06/97/590890697.db2.gz LNLMDFIIMVLTTD-GHMZBOCLSA-N 1 0 229.345 0.929 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879940467 590892053 /nfs/dbraw/zinc/89/20/53/590892053.db2.gz OFFZAGSQPYRIGZ-NEPJUHHUSA-N 1 0 241.356 0.766 20 30 BCEDRO CCC#C[C@H](C)[NH+]1CCC(CO)(CO)CC1 ZINC000879970575 590900574 /nfs/dbraw/zinc/90/05/74/590900574.db2.gz WFVKQYVHYMFKHV-LBPRGKRZSA-N 1 0 225.332 0.855 20 30 BCEDRO C#CCOCC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880167446 590948494 /nfs/dbraw/zinc/94/84/94/590948494.db2.gz RWCGVJLGRHCCCK-UHFFFAOYSA-N 1 0 236.315 0.381 20 30 BCEDRO C#CCC[N@@H+]1CCNC(=O)CC12CCC2 ZINC000880168272 590949103 /nfs/dbraw/zinc/94/91/03/590949103.db2.gz HCVTUZHJCCDNIY-UHFFFAOYSA-N 1 0 206.289 0.754 20 30 BCEDRO N#CCN1CCC[C@@H]([NH2+]C2CCOCC2)C1 ZINC000880209229 590958983 /nfs/dbraw/zinc/95/89/83/590958983.db2.gz QWAWALFMXCYFNE-GFCCVEGCSA-N 1 0 223.320 0.743 20 30 BCEDRO N#CCCNC(=O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880235005 590966023 /nfs/dbraw/zinc/96/60/23/590966023.db2.gz MRELQGKXHMLOLW-JTQLQIEISA-N 1 0 227.283 0.698 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@H](C)CO)CC1 ZINC000880481224 591038080 /nfs/dbraw/zinc/03/80/80/591038080.db2.gz OVPCXWVMOMJGBE-NSHDSACASA-N 1 0 211.305 0.465 20 30 BCEDRO C#CCC1(O)CC[NH+](Cc2cn[nH]c2)CC1 ZINC000880484552 591058299 /nfs/dbraw/zinc/05/82/99/591058299.db2.gz ZTJDMINVSYOYAT-UHFFFAOYSA-N 1 0 219.288 0.760 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880565722 591096587 /nfs/dbraw/zinc/09/65/87/591096587.db2.gz GRNQITNWNGGISW-NSHDSACASA-N 1 0 213.277 0.562 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H]2CCNC(=O)[C@H]21 ZINC000880522732 591082069 /nfs/dbraw/zinc/08/20/69/591082069.db2.gz CAAFRGAAZBEQAG-QWRGUYRKSA-N 1 0 206.289 0.610 20 30 BCEDRO COC(=O)[C@@]1(O)CC[N@@H+]([C@H](C)CCC#N)C1 ZINC000880565139 591087165 /nfs/dbraw/zinc/08/71/65/591087165.db2.gz BUUXBDDKTWYYQK-MWLCHTKSSA-N 1 0 226.276 0.288 20 30 BCEDRO COC(=O)[C@]1(O)CC[N@H+](CCCCC#N)C1 ZINC000880562310 591094254 /nfs/dbraw/zinc/09/42/54/591094254.db2.gz YWCRHOSQZTVKNY-NSHDSACASA-N 1 0 226.276 0.290 20 30 BCEDRO C=CCCC[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880562213 591094469 /nfs/dbraw/zinc/09/44/69/591094469.db2.gz WGGLRCGJBIILPH-NSHDSACASA-N 1 0 213.277 0.562 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880564389 591094481 /nfs/dbraw/zinc/09/44/81/591094481.db2.gz LNWWQVLSGPQSFC-JQWIXIFHSA-N 1 0 225.288 0.398 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@](O)(C(=O)OC)C1 ZINC000880565721 591095302 /nfs/dbraw/zinc/09/53/02/591095302.db2.gz GRNQITNWNGGISW-LLVKDONJSA-N 1 0 213.277 0.562 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880567308 591095598 /nfs/dbraw/zinc/09/55/98/591095598.db2.gz FYULFASFDNASTQ-ONGXEEELSA-N 1 0 213.277 0.561 20 30 BCEDRO CC[C@@](C)([NH3+])c1cn(CCO[C@H](C)C#N)nn1 ZINC000881324499 591191602 /nfs/dbraw/zinc/19/16/02/591191602.db2.gz WAUFRAXOJBHLGT-MWLCHTKSSA-N 1 0 237.307 0.791 20 30 BCEDRO C[C@H]([NH3+])c1cn(CC2(C#N)CCC2)nn1 ZINC000881381361 591198103 /nfs/dbraw/zinc/19/81/03/591198103.db2.gz XOYORNRSFOMHOA-QMMMGPOBSA-N 1 0 205.265 0.992 20 30 BCEDRO C=CCC[C@H](O)Cn1cc([C@@H](C)[NH3+])nn1 ZINC000881406389 591201726 /nfs/dbraw/zinc/20/17/26/591201726.db2.gz IHJJDRPCAYVFCS-BDAKNGLRSA-N 1 0 210.281 0.625 20 30 BCEDRO C=C(Cl)Cn1cc(COCC[NH3+])nn1 ZINC000881426438 591203578 /nfs/dbraw/zinc/20/35/78/591203578.db2.gz HFCMZJUOKHAWLW-UHFFFAOYSA-N 1 0 216.672 0.506 20 30 BCEDRO C#CC(C)(C)NS(=O)(=O)CC[NH+](CC)CC ZINC000881889301 591276628 /nfs/dbraw/zinc/27/66/28/591276628.db2.gz XVMPMMCRWQVJMY-UHFFFAOYSA-N 1 0 246.376 0.659 20 30 BCEDRO C#CC1(F)CN(C(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC000881938317 591280558 /nfs/dbraw/zinc/28/05/58/591280558.db2.gz IBOJENOXKPIJIK-NXEZZACHSA-N 1 0 224.279 0.510 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]CC#Cc1ccccc1 ZINC000129424462 591294027 /nfs/dbraw/zinc/29/40/27/591294027.db2.gz ROSHCCAOZDLPKU-NSHDSACASA-N 1 0 216.284 0.892 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1cc(C#N)cn1C ZINC000882487943 591364342 /nfs/dbraw/zinc/36/43/42/591364342.db2.gz LTZHZDRKHFPSHV-NSHDSACASA-N 1 0 246.314 0.721 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@H]2CC[N@H+]2CC)nc1 ZINC000882486983 591364947 /nfs/dbraw/zinc/36/49/47/591364947.db2.gz ZJOZCDNZMOWDRG-GFCCVEGCSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CCC(CC#C)C(=O)NC[C@H]1CC[N@H+]1CC ZINC000882491977 591372069 /nfs/dbraw/zinc/37/20/69/591372069.db2.gz ODQIIZICZBYDQI-CYBMUJFWSA-N 1 0 232.327 0.860 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)c1ccc(C#N)n1C ZINC000882495236 591373945 /nfs/dbraw/zinc/37/39/45/591373945.db2.gz XBDORCGIHPQIPG-LLVKDONJSA-N 1 0 246.314 0.721 20 30 BCEDRO Cc1nc(C#N)cc(NC[C@H]2CSCC[NH2+]2)n1 ZINC000882728617 591423582 /nfs/dbraw/zinc/42/35/82/591423582.db2.gz CQBWKSVUTCNJPG-JTQLQIEISA-N 1 0 249.343 0.774 20 30 BCEDRO C#CCOCCC(=O)N(C)CC[NH+]1CCCC1 ZINC000130419855 591465942 /nfs/dbraw/zinc/46/59/42/591465942.db2.gz PEDYRMSZWSQFSH-UHFFFAOYSA-N 1 0 238.331 0.581 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)C[N@@H+](CC)C1CC1 ZINC000882896988 591468673 /nfs/dbraw/zinc/46/86/73/591468673.db2.gz XLPZQLJVTIRIQI-NSHDSACASA-N 1 0 240.347 0.914 20 30 BCEDRO C#Cc1cnc(NC[C@H]2CC[N@H+]2CC)nc1 ZINC000882959117 591486188 /nfs/dbraw/zinc/48/61/88/591486188.db2.gz VKRHAHNTWDKVAT-LLVKDONJSA-N 1 0 216.288 0.964 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnn(CCOC)c1 ZINC000883123600 591543479 /nfs/dbraw/zinc/54/34/79/591543479.db2.gz DJDCNUFQRQLHIX-GFCCVEGCSA-N 1 0 237.303 0.003 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cncc(OCC)c1 ZINC000883125305 591544096 /nfs/dbraw/zinc/54/40/96/591544096.db2.gz DYPORCWXWSPURF-LBPRGKRZSA-N 1 0 234.299 0.954 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cncc(OC)c1C ZINC000883125796 591544354 /nfs/dbraw/zinc/54/43/54/591544354.db2.gz UTNQWNCYDLXDQY-GFCCVEGCSA-N 1 0 234.299 0.872 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc2c(cnn2C)c1 ZINC000883125805 591544406 /nfs/dbraw/zinc/54/44/06/591544406.db2.gz VHHCHFDLOXRHMS-GFCCVEGCSA-N 1 0 244.298 0.442 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc2[nH]c(=O)[nH]c2c1 ZINC000883125258 591545044 /nfs/dbraw/zinc/54/50/44/591545044.db2.gz DEVFYAVQVDABLA-JTQLQIEISA-N 1 0 245.282 0.742 20 30 BCEDRO C#CC1(F)CN(C(=O)NC[C@@H]2CCC[N@H+]2C)C1 ZINC000883204478 591572095 /nfs/dbraw/zinc/57/20/95/591572095.db2.gz BMFGANCCFFGFLE-JTQLQIEISA-N 1 0 239.294 0.447 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C1CCN(C)CC1 ZINC000883389686 591631586 /nfs/dbraw/zinc/63/15/86/591631586.db2.gz WMSIIMPBCRJKPV-GFCCVEGCSA-N 1 0 212.337 0.997 20 30 BCEDRO C#CCCNC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883487438 591680961 /nfs/dbraw/zinc/68/09/61/591680961.db2.gz NAHXBFHTJGNMTH-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1ncnn1CC ZINC000883399438 591640607 /nfs/dbraw/zinc/64/06/07/591640607.db2.gz MOQQIFZKJZUQSC-SNVBAGLBSA-N 1 0 224.308 0.715 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000883389950 591641878 /nfs/dbraw/zinc/64/18/78/591641878.db2.gz CAEWRHXSPZANTG-WDEREUQCSA-N 1 0 247.360 0.480 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)CS(=O)(=O)CC ZINC000883390797 591642993 /nfs/dbraw/zinc/64/29/93/591642993.db2.gz UWRQEKZIGGCJRX-MNOVXSKESA-N 1 0 249.376 0.726 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1cncnc1OC ZINC000883400808 591647635 /nfs/dbraw/zinc/64/76/35/591647635.db2.gz VVTRMMMAJWTJJA-NSHDSACASA-N 1 0 237.303 0.902 20 30 BCEDRO C#CCOCCC(=O)NCC[NH2+]C(C)(C)C ZINC000131989458 591682404 /nfs/dbraw/zinc/68/24/04/591682404.db2.gz LPAIGMXXDYQPJL-UHFFFAOYSA-N 1 0 226.320 0.531 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883508069 591684926 /nfs/dbraw/zinc/68/49/26/591684926.db2.gz OSGRBAOOTDFEPG-ZJUUUORDSA-N 1 0 211.309 0.954 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@@H]1CC[N@H+]1CC ZINC000883581250 591695327 /nfs/dbraw/zinc/69/53/27/591695327.db2.gz SUQOFLBQNAOWRY-UWVGGRQHSA-N 1 0 209.293 0.402 20 30 BCEDRO C[C@@H](O)CNC(=[NH2+])NCCc1cccs1 ZINC000132375434 591705513 /nfs/dbraw/zinc/70/55/13/591705513.db2.gz SRABKKBOHLKUEI-MRVPVSSYSA-N 1 0 227.333 0.576 20 30 BCEDRO C=CCCNC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883718138 591726079 /nfs/dbraw/zinc/72/60/79/591726079.db2.gz BLCPCAAFHOALNI-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCONC(=O)N1CC[N@@H+](C)C(C)(C)C1 ZINC000883733546 591730707 /nfs/dbraw/zinc/73/07/07/591730707.db2.gz YHDGJBGBVSIFAI-UHFFFAOYSA-N 1 0 227.308 0.840 20 30 BCEDRO C=C[C@H](C)ONC(=O)NC[C@H]1CC[N@H+]1CC ZINC000883763855 591736698 /nfs/dbraw/zinc/73/66/98/591736698.db2.gz KOOLSKDUURRWJX-VHSXEESVSA-N 1 0 227.308 0.886 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@@H]2CCC[NH2+]C2)[nH]1 ZINC000884016625 591800696 /nfs/dbraw/zinc/80/06/96/591800696.db2.gz AKXCEVGNEIXPBX-SECBINFHSA-N 1 0 232.287 0.616 20 30 BCEDRO C[NH2+]CC1CCN(C(=O)c2ccc(C#N)[nH]2)CC1 ZINC000884027912 591811447 /nfs/dbraw/zinc/81/14/47/591811447.db2.gz QUNOTSMZJWUBAN-UHFFFAOYSA-N 1 0 246.314 0.958 20 30 BCEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)C[C@H](C)[NH2+]1 ZINC000884030306 591813834 /nfs/dbraw/zinc/81/38/34/591813834.db2.gz LVVYQNBFEMLKQO-DTORHVGOSA-N 1 0 232.287 0.709 20 30 BCEDRO N#Cc1ccc(C(=O)NC2(C[NH3+])CCCC2)[nH]1 ZINC000884030443 591813978 /nfs/dbraw/zinc/81/39/78/591813978.db2.gz NZVIKDAEOAFOFP-UHFFFAOYSA-N 1 0 232.287 0.888 20 30 BCEDRO C[C@@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[NH2+]1 ZINC000884031774 591814762 /nfs/dbraw/zinc/81/47/62/591814762.db2.gz ZMJFPCWGDNYILR-MRVPVSSYSA-N 1 0 218.260 0.320 20 30 BCEDRO C[C@](C[NH3+])(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC000884031100 591815060 /nfs/dbraw/zinc/81/50/60/591815060.db2.gz GNUXYJCFIPWVCD-GFCCVEGCSA-N 1 0 232.287 0.744 20 30 BCEDRO CC(C)N(C)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884047340 591825993 /nfs/dbraw/zinc/82/59/93/591825993.db2.gz PEQYODGHXCXMOS-QWKFWESOSA-N 1 0 235.331 0.993 20 30 BCEDRO C[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@@H]3C#N)C1 ZINC000884102081 591849710 /nfs/dbraw/zinc/84/97/10/591849710.db2.gz QTISXBJVJBWHFK-ATWGWHJKSA-N 1 0 247.342 0.994 20 30 BCEDRO C[C@H]1CCN(C(=O)C2CC3(C2)C[NH2+]C[C@H]3C#N)C1 ZINC000884102084 591849966 /nfs/dbraw/zinc/84/99/66/591849966.db2.gz QTISXBJVJBWHFK-WDBLDGLGSA-N 1 0 247.342 0.994 20 30 BCEDRO CN(CC1CC1)C(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884095949 591850335 /nfs/dbraw/zinc/85/03/35/591850335.db2.gz FDZBBOGDVKSDAG-MBHSVXNSSA-N 1 0 247.342 0.994 20 30 BCEDRO C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@H]1C ZINC000884132096 591858442 /nfs/dbraw/zinc/85/84/42/591858442.db2.gz GJAVNDIARFFQLY-ZJUUUORDSA-N 1 0 240.303 0.444 20 30 BCEDRO CCONC(=O)C1CC2(C1)C[NH2+]C[C@H]2C#N ZINC000884175163 591866300 /nfs/dbraw/zinc/86/63/00/591866300.db2.gz JWVCKEOSNAFVME-INWMGODYSA-N 1 0 223.276 0.193 20 30 BCEDRO N#Cc1ccc(C(=O)N(C2CC2)[C@H]2CC[NH2+]C2)[nH]1 ZINC000884237699 591876421 /nfs/dbraw/zinc/87/64/21/591876421.db2.gz KBABFOHQTXHXGJ-NSHDSACASA-N 1 0 244.298 0.853 20 30 BCEDRO C[C@H](C[NH3+])CNC(=O)c1ccc(C#N)[nH]1 ZINC000884237803 591876674 /nfs/dbraw/zinc/87/66/74/591876674.db2.gz LVPKWFWKYUVXRN-SSDOTTSWSA-N 1 0 206.249 0.211 20 30 BCEDRO C=CC(C)(C)CC(=O)NCC[NH2+]CCOC ZINC000884242133 591879369 /nfs/dbraw/zinc/87/93/69/591879369.db2.gz MNJNLBSTWDEHIF-UHFFFAOYSA-N 1 0 228.336 0.941 20 30 BCEDRO C[C@@H](CC[NH3+])NC(=O)c1ccc(C#N)[nH]1 ZINC000884244220 591880764 /nfs/dbraw/zinc/88/07/64/591880764.db2.gz AOXQPQFBMLLQRF-ZETCQYMHSA-N 1 0 206.249 0.353 20 30 BCEDRO C=CC(C)(C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000884250298 591883998 /nfs/dbraw/zinc/88/39/98/591883998.db2.gz BLFXMCVYPZINJL-UWVGGRQHSA-N 1 0 221.304 0.816 20 30 BCEDRO Cc1coc(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000884250733 591884223 /nfs/dbraw/zinc/88/42/23/591884223.db2.gz MOCXWDOBFXACPM-BDAKNGLRSA-N 1 0 219.244 0.429 20 30 BCEDRO Cc1cnc(F)cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000884249838 591884334 /nfs/dbraw/zinc/88/43/34/591884334.db2.gz SAPZQZJEXUEPHY-PSASIEDQSA-N 1 0 248.261 0.371 20 30 BCEDRO C[C@H]1C[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[NH2+]1 ZINC000884274616 591889738 /nfs/dbraw/zinc/88/97/38/591889738.db2.gz QLVPGIPPWRAFGM-DTWKUNHWSA-N 1 0 232.287 0.757 20 30 BCEDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(C#N)[nH]2)[C@H]1C ZINC000884272175 591890160 /nfs/dbraw/zinc/89/01/60/591890160.db2.gz QZSAHUIRCKEUEJ-BDAKNGLRSA-N 1 0 232.287 0.709 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H]2CC23CC[NH2+]CC3)[nH]1 ZINC000884292000 591895577 /nfs/dbraw/zinc/89/55/77/591895577.db2.gz NXUAUIWTUGHAKZ-NSHDSACASA-N 1 0 244.298 0.758 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[C@H]3[NH2+]CC[C@@H]3C2)[nH]1 ZINC000884293490 591895611 /nfs/dbraw/zinc/89/56/11/591895611.db2.gz DNVVCEPOMRDZRS-MWLCHTKSSA-N 1 0 244.298 0.710 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@@H]2C[C@H](F)C[NH2+]2)[nH]1 ZINC000884293072 591895933 /nfs/dbraw/zinc/89/59/33/591895933.db2.gz SDVHOUANNGAICE-CBAPKCEASA-N 1 0 236.250 0.316 20 30 BCEDRO CC[C@H]([NH3+])CNC(=O)c1ccc(C#N)[nH]1 ZINC000884296759 591897289 /nfs/dbraw/zinc/89/72/89/591897289.db2.gz FAGSUCRHTVHTTB-ZETCQYMHSA-N 1 0 206.249 0.353 20 30 BCEDRO CC1(C)[NH2+]CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884304415 591899628 /nfs/dbraw/zinc/89/96/28/591899628.db2.gz OICXUCKUZPBOJA-SNVBAGLBSA-N 1 0 232.287 0.757 20 30 BCEDRO C=CCNC(=O)CNC(=O)[C@H](CC(C)C)[NH2+]C ZINC000884313234 591901882 /nfs/dbraw/zinc/90/18/82/591901882.db2.gz ZKZKEBCGLBZFQR-JTQLQIEISA-N 1 0 241.335 0.039 20 30 BCEDRO C[C@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C[C@H]1C[NH3+] ZINC000884341195 591906412 /nfs/dbraw/zinc/90/64/12/591906412.db2.gz UJMJQDWSUUBKRD-VHSXEESVSA-N 1 0 246.314 0.943 20 30 BCEDRO N#Cc1ccc(C(=O)N2CCC3(CC[NH2+]3)CC2)[nH]1 ZINC000884347390 591908747 /nfs/dbraw/zinc/90/87/47/591908747.db2.gz RPBYSWDSRAZFJJ-UHFFFAOYSA-N 1 0 244.298 0.854 20 30 BCEDRO CC(C)(CC[NH3+])NC(=O)c1ccc(C#N)[nH]1 ZINC000884347043 591909079 /nfs/dbraw/zinc/90/90/79/591909079.db2.gz IDACTYUXYRSOML-UHFFFAOYSA-N 1 0 220.276 0.744 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@H]2C[C@@H]([NH3+])C2(C)C)nn1 ZINC000884360836 591914655 /nfs/dbraw/zinc/91/46/55/591914655.db2.gz HSFROMYVVACGII-NXEZZACHSA-N 1 0 249.318 0.320 20 30 BCEDRO CCN(CC[NH3+])C(=O)c1ccc(C#N)[nH]1 ZINC000884431825 591932085 /nfs/dbraw/zinc/93/20/85/591932085.db2.gz ITPWGLIEADZSGG-UHFFFAOYSA-N 1 0 206.249 0.307 20 30 BCEDRO C[C@@H]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C[NH2+]1 ZINC000884437628 591934332 /nfs/dbraw/zinc/93/43/32/591934332.db2.gz KBIYRSKOYLXUDU-PSASIEDQSA-N 1 0 232.287 0.757 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884445063 591936887 /nfs/dbraw/zinc/93/68/87/591936887.db2.gz DNQMQVKKJPQDPG-IONNQARKSA-N 1 0 218.260 0.367 20 30 BCEDRO CC(C)C[C@@H]1COCC1=NNC1=[NH+][C@H](C)CN1 ZINC000884448268 591937174 /nfs/dbraw/zinc/93/71/74/591937174.db2.gz VXOSMYRYAFFOIF-NXEZZACHSA-N 1 0 238.335 0.972 20 30 BCEDRO CN1CC[C@@H]([NH2+]Cc2ccc(C#N)o2)C1 ZINC000135484605 592014480 /nfs/dbraw/zinc/01/44/80/592014480.db2.gz LTVGTXVEJFEJBQ-SECBINFHSA-N 1 0 205.261 0.945 20 30 BCEDRO C[N@H+](CCO)CCNc1cccc(C#N)n1 ZINC000884824674 592023085 /nfs/dbraw/zinc/02/30/85/592023085.db2.gz HDZKKUPFMMPCEN-UHFFFAOYSA-N 1 0 220.276 0.289 20 30 BCEDRO Cc1cc(NCC[N@H+](C)CCO)cc(C#N)n1 ZINC000884825281 592023593 /nfs/dbraw/zinc/02/35/93/592023593.db2.gz OKYYFBBSDBGZDG-UHFFFAOYSA-N 1 0 234.303 0.598 20 30 BCEDRO C[N@H+](CCO)CCNc1cnccc1C#N ZINC000884825442 592023596 /nfs/dbraw/zinc/02/35/96/592023596.db2.gz XDUZRPVZMKBKAM-UHFFFAOYSA-N 1 0 220.276 0.289 20 30 BCEDRO C=C(Br)CNC(=O)[C@H]([NH3+])CC ZINC000136131976 592098118 /nfs/dbraw/zinc/09/81/18/592098118.db2.gz RUZMXTKRILLIRZ-ZCFIWIBFSA-N 1 0 221.098 0.749 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@@H](O)CC2(C#N)CCC2)C[C@H]1O ZINC000886100050 592154165 /nfs/dbraw/zinc/15/41/65/592154165.db2.gz DJKBTQSWBUPYMT-GRYCIOLGSA-N 1 0 238.331 0.744 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2ncc[nH]2)C1 ZINC000886213101 592178533 /nfs/dbraw/zinc/17/85/33/592178533.db2.gz MCBLPXQLPFCISU-NSHDSACASA-N 1 0 218.304 0.597 20 30 BCEDRO N#Cc1csc(C[NH2+][C@@H]2C[C@@H](O)[C@@H](O)C2)c1 ZINC000886242894 592183791 /nfs/dbraw/zinc/18/37/91/592183791.db2.gz IAVGNWIABSQLCB-UIKWRGBMSA-N 1 0 238.312 0.594 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](C[C@H]2C[C@@]23CCOC3)C1 ZINC000886265599 592190131 /nfs/dbraw/zinc/19/01/31/592190131.db2.gz MENBQOVUVTXHQH-UPJWGTAASA-N 1 0 236.315 0.763 20 30 BCEDRO C[C@](O)(C[N@@H+]1CC[C@](O)(CC#N)C1)C(F)F ZINC000886265401 592190335 /nfs/dbraw/zinc/19/03/35/592190335.db2.gz HWIOLUQDBXBLDH-VHSXEESVSA-N 1 0 234.246 0.353 20 30 BCEDRO N#CC1(C[C@H](O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)CCC1 ZINC000886318608 592207790 /nfs/dbraw/zinc/20/77/90/592207790.db2.gz XTPGOCPRJAKGAF-NTZNESFSSA-N 1 0 236.315 0.498 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CCC)C(=O)OC ZINC000886322395 592208041 /nfs/dbraw/zinc/20/80/41/592208041.db2.gz BBHJYIQJROKZTP-SNVBAGLBSA-N 1 0 242.319 0.562 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C(=O)OC)C(C)C ZINC000886325254 592209073 /nfs/dbraw/zinc/20/90/73/592209073.db2.gz DYPPEXZOLDKDQE-SNVBAGLBSA-N 1 0 242.319 0.418 20 30 BCEDRO C#CC[C@H]1CC[N@@H+]([C@H](C)C(=O)NC(=O)NC)C1 ZINC000886353088 592214859 /nfs/dbraw/zinc/21/48/59/592214859.db2.gz BGCPHYCWRIZZJA-ZJUUUORDSA-N 1 0 237.303 0.176 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCCN2C(=O)CNC2=O)C1 ZINC000886357115 592216323 /nfs/dbraw/zinc/21/63/23/592216323.db2.gz BEENPSHLCSNMTP-LLVKDONJSA-N 1 0 249.314 0.274 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCc2cn(C)nn2)C1 ZINC000886365374 592217904 /nfs/dbraw/zinc/21/79/04/592217904.db2.gz HCIOAFATARJSIL-LLVKDONJSA-N 1 0 218.304 0.703 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@H]2CCS(=O)(=O)C2)C1 ZINC000886363994 592218137 /nfs/dbraw/zinc/21/81/37/592218137.db2.gz LSZHIPZGDRDEEI-NWDGAFQWSA-N 1 0 241.356 0.766 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000886365715 592219544 /nfs/dbraw/zinc/21/95/44/592219544.db2.gz ODGSPTZUGRUGHN-NSHDSACASA-N 1 0 249.314 0.226 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000886365462 592219910 /nfs/dbraw/zinc/21/99/10/592219910.db2.gz JBGUNHJJISJGRU-MNOVXSKESA-N 1 0 206.289 0.610 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886568297 592261299 /nfs/dbraw/zinc/26/12/99/592261299.db2.gz GJBQPEUPFHAVOJ-PHIMTYICSA-N 1 0 211.330 0.931 20 30 BCEDRO C#CCOCC[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886571942 592265008 /nfs/dbraw/zinc/26/50/08/592265008.db2.gz PGPNPOQASDACFY-PHIMTYICSA-N 1 0 211.330 0.931 20 30 BCEDRO C#CCN(C(=O)[C@@H](O)C=C)C1CC[NH+](C)CC1 ZINC000886575710 592266748 /nfs/dbraw/zinc/26/67/48/592266748.db2.gz HEWPNBMUUYCZSG-LBPRGKRZSA-N 1 0 236.315 0.089 20 30 BCEDRO C#CCN(C(=O)c1ccon1)C1CC[NH+](C)CC1 ZINC000886583138 592268492 /nfs/dbraw/zinc/26/84/92/592268492.db2.gz CMQLVXQICRQWFU-UHFFFAOYSA-N 1 0 247.298 0.844 20 30 BCEDRO C#CCN(C(=O)c1ccn[nH]1)C1CC[NH+](C)CC1 ZINC000886583383 592269275 /nfs/dbraw/zinc/26/92/75/592269275.db2.gz OKBNKVKVTYZBKH-UHFFFAOYSA-N 1 0 246.314 0.579 20 30 BCEDRO C#CCN(C(=O)COC)C1CC[NH+](C)CC1 ZINC000886588878 592270625 /nfs/dbraw/zinc/27/06/25/592270625.db2.gz BFRNGGBGXPFMMZ-UHFFFAOYSA-N 1 0 224.304 0.189 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)CCO)C1 ZINC000886660679 592293185 /nfs/dbraw/zinc/29/31/85/592293185.db2.gz CTZSVGSSPNMZAW-NEPJUHHUSA-N 1 0 210.321 0.445 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H](C)Cn2cncn2)C1 ZINC000886664866 592296150 /nfs/dbraw/zinc/29/61/50/592296150.db2.gz ZKUUCWSWRUWJFR-OLZOCXBDSA-N 1 0 247.346 0.354 20 30 BCEDRO N#Cc1cccnc1N1CCC([NH3+])(CO)CC1 ZINC000220500718 592313565 /nfs/dbraw/zinc/31/35/65/592313565.db2.gz HVXICHDIIHFYIC-UHFFFAOYSA-N 1 0 232.287 0.243 20 30 BCEDRO C=CCCC[NH+]1CCC(O)(COCCO)CC1 ZINC000886740880 592313915 /nfs/dbraw/zinc/31/39/15/592313915.db2.gz LTPSPFLJBQCGLP-UHFFFAOYSA-N 1 0 243.347 0.788 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCC(O)(COCCO)CC1 ZINC000886753704 592317232 /nfs/dbraw/zinc/31/72/32/592317232.db2.gz SORBMTFVFFQQTB-GFCCVEGCSA-N 1 0 243.347 0.787 20 30 BCEDRO C=CCN1CC[C@H](N(CC)[C@@H]2CC[NH2+]C2)C1=O ZINC000886848922 592366000 /nfs/dbraw/zinc/36/60/00/592366000.db2.gz UITYTLHHXDUDSX-NEPJUHHUSA-N 1 0 237.347 0.457 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886850928 592367052 /nfs/dbraw/zinc/36/70/52/592367052.db2.gz XYUPGNKXKPUANV-JTQLQIEISA-N 1 0 226.276 0.067 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](NC(=O)OC)C1 ZINC000886856137 592370763 /nfs/dbraw/zinc/37/07/63/592370763.db2.gz HYRYGKGFJKAXMZ-UWVGGRQHSA-N 1 0 228.292 0.354 20 30 BCEDRO C#CCCC[NH2+]C1(C(=O)NC)CCOCC1 ZINC000887089450 592439011 /nfs/dbraw/zinc/43/90/11/592439011.db2.gz AFEZUTPUCTUTSO-UHFFFAOYSA-N 1 0 224.304 0.285 20 30 BCEDRO C#CCC1([NH2+]C[C@@H]2CNC(=O)C2)CCOCC1 ZINC000887122271 592445853 /nfs/dbraw/zinc/44/58/53/592445853.db2.gz QRSWQYJZPPRCRQ-NSHDSACASA-N 1 0 236.315 0.285 20 30 BCEDRO C#CCC1([NH2+]C[C@@H]2CCC(=O)O2)CCOCC1 ZINC000887122123 592446358 /nfs/dbraw/zinc/44/63/58/592446358.db2.gz LQFWCLZDTKRTTP-NSHDSACASA-N 1 0 237.299 0.854 20 30 BCEDRO C#CCC1([NH2+]CCc2cn[nH]n2)CCOCC1 ZINC000887121920 592446761 /nfs/dbraw/zinc/44/67/61/592446761.db2.gz CMEKFKZHMUSDFN-UHFFFAOYSA-N 1 0 234.303 0.509 20 30 BCEDRO C#CCC1([NH2+]CC(=O)N2CCC2)CCOCC1 ZINC000887125963 592447714 /nfs/dbraw/zinc/44/77/14/592447714.db2.gz QUSMKTOYJZKHTR-UHFFFAOYSA-N 1 0 236.315 0.381 20 30 BCEDRO C#CCNC(=O)CC[N@H+](C)CCCF ZINC000887142706 592457457 /nfs/dbraw/zinc/45/74/57/592457457.db2.gz XDFHNMXXWZGPIL-UHFFFAOYSA-N 1 0 200.257 0.417 20 30 BCEDRO CNC(NC[C@@H](O)C(F)(F)C(F)(F)F)=[NH+]C ZINC000887324083 592481120 /nfs/dbraw/zinc/48/11/20/592481120.db2.gz QOEUNPYBZLOTQR-SCSAIBSYSA-N 1 0 249.183 0.340 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@H](OC)C[C@@H]1C ZINC000300934322 592525192 /nfs/dbraw/zinc/52/51/92/592525192.db2.gz RJOKVUREYIBADG-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCO[C@](C)(C#N)C1 ZINC000887677513 592540395 /nfs/dbraw/zinc/54/03/95/592540395.db2.gz YPFRKYMDENFRKO-CMPLNLGQSA-N 1 0 237.303 0.222 20 30 BCEDRO C[C@H](C(=O)N1CCO[C@@](C)(C#N)C1)[NH+](C)C ZINC000887692031 592542936 /nfs/dbraw/zinc/54/29/36/592542936.db2.gz CVWHDGCXUVAJDU-KOLCDFICSA-N 1 0 225.292 0.078 20 30 BCEDRO CC(C)[N@H+](CCOCCO)CCO[C@H](C)C#N ZINC000302555728 592549514 /nfs/dbraw/zinc/54/95/14/592549514.db2.gz WRFFBUIPQPISAG-GFCCVEGCSA-N 1 0 244.335 0.634 20 30 BCEDRO CON=CC(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887926481 592559805 /nfs/dbraw/zinc/55/98/05/592559805.db2.gz KYVTZUKOYPRTSG-GXSJLCMTSA-N 1 0 225.292 0.029 20 30 BCEDRO CC(=O)NCCNC(=[NH2+])NCCC(C)C ZINC000104154500 592602120 /nfs/dbraw/zinc/60/21/20/592602120.db2.gz MFEKBGCSNFDTCI-UHFFFAOYSA-N 1 0 214.313 0.073 20 30 BCEDRO Cn1cnnc1CNC(=[NH2+])N1CCCCC1 ZINC000104172163 592603209 /nfs/dbraw/zinc/60/32/09/592603209.db2.gz KIQFUQRNPMTXOU-UHFFFAOYSA-N 1 0 222.296 0.116 20 30 BCEDRO CCCCNC(=[NH2+])NC[C@@H](O)COCC1CC1 ZINC000104183273 592603887 /nfs/dbraw/zinc/60/38/87/592603887.db2.gz SUGNXDDWYXWQKW-LLVKDONJSA-N 1 0 243.351 0.478 20 30 BCEDRO CCOCCCNC(=[NH2+])NCC(O)(CC)CC ZINC000104182301 592603924 /nfs/dbraw/zinc/60/39/24/592603924.db2.gz XYKWLTUCPWGCIM-UHFFFAOYSA-N 1 0 245.367 0.868 20 30 BCEDRO CC#CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2CCO ZINC000889755859 592652722 /nfs/dbraw/zinc/65/27/22/592652722.db2.gz JAKYLNQZLISSFS-VXGBXAGGSA-N 1 0 236.315 0.067 20 30 BCEDRO C#CCSCC(=O)NC1(C[NH+](C)C)CCC1 ZINC000890390872 592695210 /nfs/dbraw/zinc/69/52/10/592695210.db2.gz ODEBSVNJMCBDEJ-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@H]([NH3+])CCOC ZINC000122412028 592712305 /nfs/dbraw/zinc/71/23/05/592712305.db2.gz HNORJEGUJNDVBP-RKDXNWHRSA-N 1 0 200.282 0.431 20 30 BCEDRO C#CCOCC[N@@H+]1Cc2c[nH]nc2[C@@H](C)C1 ZINC000931468247 634470092 /nfs/dbraw/zinc/47/00/92/634470092.db2.gz WPODIQJNFYOJMD-JTQLQIEISA-N 1 0 219.288 0.979 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)[C@@H](C)OC)C1 ZINC001027320412 634474620 /nfs/dbraw/zinc/47/46/20/634474620.db2.gz ZYRNHXWHMGASQJ-VXGBXAGGSA-N 1 0 238.331 0.577 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC[C@H]([N@H+](C)CCO)C1 ZINC001027329903 634478626 /nfs/dbraw/zinc/47/86/26/634478626.db2.gz FDDHRAWWYGGZHB-QWRGUYRKSA-N 1 0 239.319 0.061 20 30 BCEDRO Cc1ccccc1C=NNC1=[NH+]CCN1 ZINC000841663324 635190710 /nfs/dbraw/zinc/19/07/10/635190710.db2.gz YARJZKXXRWAIBW-UHFFFAOYSA-N 1 0 202.261 0.878 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3ccoc3)[C@@H]2C1 ZINC000977823891 634565675 /nfs/dbraw/zinc/56/56/75/634565675.db2.gz PZHVATNHVBSDIB-XYYAHUGASA-N 1 0 244.294 0.820 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3ncc[nH]3)[C@@H]2C1 ZINC000978134838 634580167 /nfs/dbraw/zinc/58/01/67/634580167.db2.gz URSQTZKECKMJRQ-RTCCRHLQSA-N 1 0 246.314 0.503 20 30 BCEDRO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3C)[C@@H]2C1 ZINC000978583020 634605640 /nfs/dbraw/zinc/60/56/40/634605640.db2.gz LMRYRLWNWYMYMK-KSTCHIGDSA-N 1 0 246.354 0.960 20 30 BCEDRO C#CCC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@H]3C[C@@H]3C)[C@@H]2C1 ZINC000978592197 634606637 /nfs/dbraw/zinc/60/66/37/634606637.db2.gz TUFDGKUAIHKOJX-HTVCTNPSSA-N 1 0 246.354 0.960 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@H]([NH3+])CCOC ZINC000122412284 635494679 /nfs/dbraw/zinc/49/46/79/635494679.db2.gz HNORJEGUJNDVBP-IUCAKERBSA-N 1 0 200.282 0.431 20 30 BCEDRO C#CCC[N@H+]1CCCN(C(=O)c2cnon2)CC1 ZINC000982283576 635527557 /nfs/dbraw/zinc/52/75/57/635527557.db2.gz BRIZWQIVWLJWSD-UHFFFAOYSA-N 1 0 248.286 0.241 20 30 BCEDRO C#CCOCC[N@@H+]1C[C@@H](C)[C@H](CC(=O)OC)C1 ZINC000932100844 635564151 /nfs/dbraw/zinc/56/41/51/635564151.db2.gz GJEIXHLGEDROEY-VXGBXAGGSA-N 1 0 239.315 0.767 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001022020760 631238653 /nfs/dbraw/zinc/23/86/53/631238653.db2.gz JGUNCWUXMNBYRB-TXEJJXNPSA-N 1 0 246.314 0.442 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cn(C)nn2)C1 ZINC000971466569 631243933 /nfs/dbraw/zinc/24/39/33/631243933.db2.gz YBRAKQPKGPQRNE-JTQLQIEISA-N 1 0 249.318 0.147 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000971518115 631288560 /nfs/dbraw/zinc/28/85/60/631288560.db2.gz POBLXQWILVSULK-LLVKDONJSA-N 1 0 246.314 0.498 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(C)nn2)C1 ZINC001022060981 631320609 /nfs/dbraw/zinc/32/06/09/631320609.db2.gz OBLGSFWGRCGKTH-PHIMTYICSA-N 1 0 244.298 0.269 20 30 BCEDRO COC(=O)[C@](C)(O)C[N@H+](CCC#N)CC(C)C ZINC000080211102 631378188 /nfs/dbraw/zinc/37/81/88/631378188.db2.gz WOCVBJRSQXHNLJ-GFCCVEGCSA-N 1 0 242.319 0.782 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H]1CCSC1 ZINC000308517473 631413220 /nfs/dbraw/zinc/41/32/20/631413220.db2.gz NJDZSSTUKJFLHK-VIFPVBQESA-N 1 0 235.374 0.682 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](C)C1CCC1 ZINC000157727243 631452597 /nfs/dbraw/zinc/45/25/97/631452597.db2.gz AOCVLZDNOMRAEM-NXEZZACHSA-N 1 0 208.305 0.903 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](C)[C@@H]1CO ZINC000308791550 631459754 /nfs/dbraw/zinc/45/97/54/631459754.db2.gz INIBAWMWIYNCMO-MXWKQRLJSA-N 1 0 212.293 0.618 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2CO[C@@H](C)C2)C1 ZINC001022317217 631477674 /nfs/dbraw/zinc/47/76/74/631477674.db2.gz HUOSELRBNUGMCX-FIQHERPVSA-N 1 0 236.315 0.281 20 30 BCEDRO C[C@H](O)[C@@H](O)C[N@H+](C)Cc1cc(C#N)cs1 ZINC000933770043 631506810 /nfs/dbraw/zinc/50/68/10/631506810.db2.gz FZFSIBUEIIGXSG-KWQFWETISA-N 1 0 240.328 0.793 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971848873 631541592 /nfs/dbraw/zinc/54/15/92/631541592.db2.gz UGBRAANTPPQVHQ-SECBINFHSA-N 1 0 235.291 0.137 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cn(C)nc1C ZINC000779804238 631547844 /nfs/dbraw/zinc/54/78/44/631547844.db2.gz CDINDJUZCVCPDD-SSDOTTSWSA-N 1 0 234.307 0.390 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000891938561 631567180 /nfs/dbraw/zinc/56/71/80/631567180.db2.gz SZTIATUNSXBJQI-DBIOUOCHSA-N 1 0 239.319 0.461 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC001022455866 631569757 /nfs/dbraw/zinc/56/97/57/631569757.db2.gz AARYRKGAZHELPC-YFKTTZPYSA-N 1 0 238.331 0.834 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H](C)CO2)C1 ZINC001022457542 631570338 /nfs/dbraw/zinc/57/03/38/631570338.db2.gz SQKBVTVFHVNHLJ-YFKTTZPYSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CCC[NH+]1CCN(C)CCN(C)CC1 ZINC000933991331 631578707 /nfs/dbraw/zinc/57/87/07/631578707.db2.gz BPLRXZOHPXKSAL-UHFFFAOYSA-N 1 0 209.337 0.189 20 30 BCEDRO CC[NH+](CC)CCCNC(=O)NCCC#N ZINC000243893116 635641462 /nfs/dbraw/zinc/64/14/62/635641462.db2.gz RQSLXSRJDOEXRP-UHFFFAOYSA-N 1 0 226.324 0.931 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)C2CC2)C1 ZINC001028356775 635654376 /nfs/dbraw/zinc/65/43/76/635654376.db2.gz QVBWLKOZIAHZCX-JTQLQIEISA-N 1 0 206.289 0.468 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)CN1CC[C@@H]1CO ZINC000934027699 631619953 /nfs/dbraw/zinc/61/99/53/631619953.db2.gz RBOSBLXPKUESCS-WDEREUQCSA-N 1 0 239.319 0.061 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cncs2)C1 ZINC001028431138 635670851 /nfs/dbraw/zinc/67/08/51/635670851.db2.gz MMTADFVJYVJRAW-SNVBAGLBSA-N 1 0 249.339 0.828 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccnn2C)C1 ZINC001028435243 635672540 /nfs/dbraw/zinc/67/25/40/635672540.db2.gz HKJJHFMVBFDQAB-NSHDSACASA-N 1 0 246.314 0.105 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](O)[C@@H](C)C1 ZINC000308799606 631644955 /nfs/dbraw/zinc/64/49/55/631644955.db2.gz MBXKTABWMFPHTK-HBNTYKKESA-N 1 0 212.293 0.618 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@H](C)[C@H]1CO ZINC000308791549 631648814 /nfs/dbraw/zinc/64/88/14/631648814.db2.gz INIBAWMWIYNCMO-HBNTYKKESA-N 1 0 212.293 0.618 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ocnc2C)C1 ZINC001028466382 635685913 /nfs/dbraw/zinc/68/59/13/635685913.db2.gz QHWHBMKVSMWMSP-NSHDSACASA-N 1 0 247.298 0.668 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2csnn2)C1 ZINC001022506304 631650518 /nfs/dbraw/zinc/65/05/18/631650518.db2.gz KEXCKNPQKFYYPV-OCAPTIKFSA-N 1 0 238.316 0.575 20 30 BCEDRO C#C[C@H]([NH2+][C@H](CO)C(=C)C)[C@@H]1CCCO1 ZINC000308816133 631666379 /nfs/dbraw/zinc/66/63/79/631666379.db2.gz AQHLXYBXRGAEFY-TUAOUCFPSA-N 1 0 209.289 0.694 20 30 BCEDRO C#C[C@H]([NH2+]CCC(C)(C)O)[C@@H]1CCCO1 ZINC000308832651 631680738 /nfs/dbraw/zinc/68/07/38/631680738.db2.gz GTYMJDAAXOJMGJ-QWRGUYRKSA-N 1 0 211.305 0.918 20 30 BCEDRO CS/C=C\C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000308851893 631693872 /nfs/dbraw/zinc/69/38/72/631693872.db2.gz CIHQQVBHASLNHH-HZHJCBGQSA-N 1 0 211.290 0.091 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]3C[C@H]3C2)C1 ZINC001022576654 631709479 /nfs/dbraw/zinc/70/94/79/631709479.db2.gz RNTVOSDJRWFSGO-PNWMVKDVSA-N 1 0 232.327 0.903 20 30 BCEDRO N#CCC[C@@H](C#N)C[NH2+][C@H](CO)C1CC1 ZINC000308916950 631721537 /nfs/dbraw/zinc/72/15/37/631721537.db2.gz HTQBTAGETHLPCB-GXSJLCMTSA-N 1 0 207.277 0.790 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2cnc(C)n2C)C1 ZINC001022601962 631726061 /nfs/dbraw/zinc/72/60/61/631726061.db2.gz ZUMZPCXTKDHPQJ-PHIMTYICSA-N 1 0 248.330 0.765 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@H](F)C2)C1 ZINC001022606520 631727171 /nfs/dbraw/zinc/72/71/71/631727171.db2.gz JAYIOLVJNCLGQT-FIQHERPVSA-N 1 0 238.306 0.995 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)CC2=CCOCC2)C1 ZINC001022659228 631742507 /nfs/dbraw/zinc/74/25/07/631742507.db2.gz UIRGWKOIVMAIDH-BETUJISGSA-N 1 0 248.326 0.593 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)c2n[nH]nc2C)C1 ZINC000972059988 631751318 /nfs/dbraw/zinc/75/13/18/631751318.db2.gz ZWYARTHOIXRZFH-SNVBAGLBSA-N 1 0 249.318 0.445 20 30 BCEDRO CCC[N@H+](CCO[C@H](C)C#N)CC(N)=O ZINC000308959939 631756078 /nfs/dbraw/zinc/75/60/78/631756078.db2.gz FUFADURMDUYESB-SECBINFHSA-N 1 0 213.281 0.112 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)COCC ZINC000309026151 631805781 /nfs/dbraw/zinc/80/57/81/631805781.db2.gz ATBFBVKWCXVBHY-JTQLQIEISA-N 1 0 235.349 0.602 20 30 BCEDRO C#C[C@H]([NH2+][C@H](CC)C(N)=O)[C@@H]1CCCO1 ZINC000309067855 631831201 /nfs/dbraw/zinc/83/12/01/631831201.db2.gz AJWKBGQLCJACFN-AEJSXWLSSA-N 1 0 210.277 0.021 20 30 BCEDRO C#CC1(O)CN(CC[C@@H]2CCCCO2)C1 ZINC000934449387 631840665 /nfs/dbraw/zinc/84/06/65/631840665.db2.gz VXGVTZPOODIRFO-NSHDSACASA-N 1 0 209.289 0.626 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1[C@H](C)C(=O)NC(N)=O ZINC000934473503 631867700 /nfs/dbraw/zinc/86/77/00/631867700.db2.gz WTVWVRXQEJKZNE-SFYZADRCSA-N 1 0 211.265 0.220 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@@H](O)C[C@]1(O)CCOC1 ZINC000934461954 631858627 /nfs/dbraw/zinc/85/86/27/631858627.db2.gz PIHUWUVRLRXSHB-FRRDWIJNSA-N 1 0 241.331 0.539 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](O)C1(O)CCOCC1 ZINC000934461846 631859301 /nfs/dbraw/zinc/85/93/01/631859301.db2.gz NZYBSWDZEDTDCX-NEPJUHHUSA-N 1 0 241.331 0.539 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+]1CCN1CCCS1(=O)=O ZINC000934461727 631859403 /nfs/dbraw/zinc/85/94/03/631859403.db2.gz TYOLJGODEQQXDS-LLVKDONJSA-N 1 0 244.360 0.672 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@H]2CC)C1 ZINC001022737679 631860077 /nfs/dbraw/zinc/86/00/77/631860077.db2.gz IJACXZHHQWSSJO-WISYIIOYSA-N 1 0 220.316 0.903 20 30 BCEDRO C[C@H]1CC[C@H]1[NH2+]CCn1cnc(C#N)n1 ZINC000309099195 631880875 /nfs/dbraw/zinc/88/08/75/631880875.db2.gz DZDGELSUZRLHDB-DTWKUNHWSA-N 1 0 205.265 0.538 20 30 BCEDRO C#C[C@@H]([NH2+]CC1(C)COC1)[C@H]1CCCO1 ZINC000309117062 631889032 /nfs/dbraw/zinc/88/90/32/631889032.db2.gz LZFXCXRKIOLYJV-GHMZBOCLSA-N 1 0 209.289 0.793 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1CCCN1C(=O)CNC1=O ZINC000934510847 631892318 /nfs/dbraw/zinc/89/23/18/631892318.db2.gz DFCSSHKLPQGVRQ-NSHDSACASA-N 1 0 249.314 0.416 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cscn2)C1 ZINC001022816685 631972681 /nfs/dbraw/zinc/97/26/81/631972681.db2.gz GPHKMZFIXQMYBT-AOOOYVTPSA-N 1 0 249.339 0.556 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H]1CCO ZINC000308862567 631978617 /nfs/dbraw/zinc/97/86/17/631978617.db2.gz KBGYYNGNJUPNLI-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000309269567 631979171 /nfs/dbraw/zinc/97/91/71/631979171.db2.gz RTLVXLANKBRUIB-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO C#C[C@H]([NH2+]CCCNC(C)=O)[C@@H]1CCCO1 ZINC000309318475 631992077 /nfs/dbraw/zinc/99/20/77/631992077.db2.gz DPOQJARXZRGGQI-RYUDHWBXSA-N 1 0 224.304 0.283 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnon2)C1 ZINC001022871455 632015920 /nfs/dbraw/zinc/01/59/20/632015920.db2.gz UDUSTIKDOWEFPE-DTORHVGOSA-N 1 0 236.275 0.496 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(OC)o2)C1 ZINC001022882354 632025498 /nfs/dbraw/zinc/02/54/98/632025498.db2.gz KBNIKZXMDMDCMY-AOOOYVTPSA-N 1 0 248.282 0.772 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nc(C)oc2C)C1 ZINC001022883603 632027255 /nfs/dbraw/zinc/02/72/55/632027255.db2.gz RDCRPTSBLNFAGX-PHIMTYICSA-N 1 0 247.298 0.775 20 30 BCEDRO C=CCCOCC(=O)N(C)CC[NH2+]C ZINC000308872744 632038338 /nfs/dbraw/zinc/03/83/38/632038338.db2.gz LFJCIPPNLSEYGZ-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO COc1cccc(CNC(=[NH2+])NC2CC2)n1 ZINC000161531548 632073783 /nfs/dbraw/zinc/07/37/83/632073783.db2.gz WZBNQXUTJLUBED-UHFFFAOYSA-N 1 0 220.276 0.657 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@]23CCOC3)C1 ZINC001022948409 632076024 /nfs/dbraw/zinc/07/60/24/632076024.db2.gz VKHIRCCQWHTZTQ-OPDFLTKYSA-N 1 0 248.326 0.283 20 30 BCEDRO CC(C)OC(=O)CCCNC(=[NH2+])NC1CC1 ZINC000154333699 632087414 /nfs/dbraw/zinc/08/74/14/632087414.db2.gz BZKQCEKNBWQSQC-UHFFFAOYSA-N 1 0 227.308 0.785 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)C2=CCOCC2)C1 ZINC001028498638 635702486 /nfs/dbraw/zinc/70/24/86/635702486.db2.gz SMCOZTQRLYLJAN-LBPRGKRZSA-N 1 0 248.326 0.404 20 30 BCEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@@H]1NC(=O)NCCC#N ZINC000426416854 635711628 /nfs/dbraw/zinc/71/16/28/635711628.db2.gz MMTFKDOJCJFUFW-KOLCDFICSA-N 1 0 236.319 0.682 20 30 BCEDRO C=CC(C)(C)CN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924904841 635759139 /nfs/dbraw/zinc/75/91/39/635759139.db2.gz DFXNGMJVJGTJSB-SECBINFHSA-N 1 0 239.319 0.681 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H]1C[C@H]1C(=O)OC ZINC000924904428 635760211 /nfs/dbraw/zinc/76/02/11/635760211.db2.gz AUZAOOWCBFOGIX-NXEZZACHSA-N 1 0 240.303 0.030 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](CNC(=O)c2cnco2)C1 ZINC001028720709 635807862 /nfs/dbraw/zinc/80/78/62/635807862.db2.gz ILYNYVVAUUCVDR-NSHDSACASA-N 1 0 247.298 0.750 20 30 BCEDRO CCC(CC)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000309499258 632417335 /nfs/dbraw/zinc/41/73/35/632417335.db2.gz LAVBWPCDLWFFBR-UWVGGRQHSA-N 1 0 209.293 0.650 20 30 BCEDRO CCCCNC(=[NH2+])NCC(C)(C)C(=O)NC ZINC000157374140 632428590 /nfs/dbraw/zinc/42/85/90/632428590.db2.gz YCDRIHZOZXCMIM-UHFFFAOYSA-N 1 0 228.340 0.463 20 30 BCEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])NCC(C)C ZINC000157403147 632430814 /nfs/dbraw/zinc/43/08/14/632430814.db2.gz UZCCVYWTANMZQS-UHFFFAOYSA-N 1 0 242.367 0.709 20 30 BCEDRO C=C(Br)C[NH2+]C[C@H](O)COCC ZINC000168260741 632456256 /nfs/dbraw/zinc/45/62/56/632456256.db2.gz JNVWIYZAPOXGGA-QMMMGPOBSA-N 1 0 238.125 0.882 20 30 BCEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2nc[nH]n2)C1 ZINC000972573312 632472050 /nfs/dbraw/zinc/47/20/50/632472050.db2.gz HLTPMFJWAQRXRW-SNVBAGLBSA-N 1 0 249.318 0.527 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2nccs2)C1 ZINC000972600504 632513982 /nfs/dbraw/zinc/51/39/82/632513982.db2.gz BWRHPRCCRAQJSJ-SNVBAGLBSA-N 1 0 249.339 0.923 20 30 BCEDRO C[C@H](O)C[C@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000159252665 632515906 /nfs/dbraw/zinc/51/59/06/632515906.db2.gz HVTZHNMNVAUDGA-WDEREUQCSA-N 1 0 239.319 0.252 20 30 BCEDRO C#C[C@@H](CC)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000229532086 632572770 /nfs/dbraw/zinc/57/27/70/632572770.db2.gz JEDBBFIKVOEYBP-UWVGGRQHSA-N 1 0 215.318 0.565 20 30 BCEDRO CCC[N@H+](CCO[C@@H](C)C#N)CC(N)=O ZINC000308959941 632584522 /nfs/dbraw/zinc/58/45/22/632584522.db2.gz FUFADURMDUYESB-VIFPVBQESA-N 1 0 213.281 0.112 20 30 BCEDRO CC(C)[C@](C)(CO)[NH2+]CCO[C@@H](C)C#N ZINC000309073497 632632386 /nfs/dbraw/zinc/63/23/86/632632386.db2.gz HPSJIUAOQPBPLF-QWRGUYRKSA-N 1 0 214.309 0.912 20 30 BCEDRO C#CCCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000309097624 632638283 /nfs/dbraw/zinc/63/82/83/632638283.db2.gz HLXZRUNZWHNXAY-LBPRGKRZSA-N 1 0 210.321 0.445 20 30 BCEDRO CC#CC[N@@H+]1C[C@H](NC(C)=O)C(C)(C)C1 ZINC000972720809 632647290 /nfs/dbraw/zinc/64/72/90/632647290.db2.gz HVHDUIBUEWBPFT-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000926612055 632666122 /nfs/dbraw/zinc/66/61/22/632666122.db2.gz WTUNPDAZFKKLKB-DCAQKATOSA-N 1 0 238.331 0.692 20 30 BCEDRO C#CCCCCNC(=[NH2+])NC[C@@H]1CCCO1 ZINC000176970881 632673889 /nfs/dbraw/zinc/67/38/89/632673889.db2.gz JYLJCCNQYYTRGX-NSHDSACASA-N 1 0 223.320 0.873 20 30 BCEDRO C=CCn1cc(C[NH2+][C@@H]2COC[C@@H]2C)nn1 ZINC000926613353 632679942 /nfs/dbraw/zinc/67/99/42/632679942.db2.gz DYPNHDKMCCVXTG-GXSJLCMTSA-N 1 0 222.292 0.589 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000310470333 632746978 /nfs/dbraw/zinc/74/69/78/632746978.db2.gz BFESOJXLANHNJE-OLZOCXBDSA-N 1 0 237.347 0.943 20 30 BCEDRO COc1cc2c(cc1C=NNC(N)=[NH2+])O[C@H](C)C2 ZINC000310560610 632761001 /nfs/dbraw/zinc/76/10/01/632761001.db2.gz UQZZNNWGUZJGGQ-SSDOTTSWSA-N 1 0 248.286 0.836 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)C[C@H](C)O)CC1 ZINC000177437303 632823011 /nfs/dbraw/zinc/82/30/11/632823011.db2.gz LWWLILHGZNNFFC-NSHDSACASA-N 1 0 238.331 0.171 20 30 BCEDRO C=CC[N@H+]1CC[C@H](CNC(=O)c2cnn(C)n2)C1 ZINC001028865634 635839526 /nfs/dbraw/zinc/83/95/26/635839526.db2.gz WAENJSKRDDAYJS-SNVBAGLBSA-N 1 0 249.318 0.053 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cccnn2)C1 ZINC001028887117 635844257 /nfs/dbraw/zinc/84/42/57/635844257.db2.gz ALMCKWYZCWREAT-NSHDSACASA-N 1 0 244.298 0.162 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cc[nH]c(=O)c1 ZINC000926725711 632885241 /nfs/dbraw/zinc/88/52/41/632885241.db2.gz BCVPSZIQPGEJQJ-WCBMZHEXSA-N 1 0 208.261 0.985 20 30 BCEDRO C[NH+]1CCC(OCC(=O)OCCCC#N)CC1 ZINC000923785234 632914836 /nfs/dbraw/zinc/91/48/36/632914836.db2.gz CDPPIUPYUSYRJJ-UHFFFAOYSA-N 1 0 240.303 0.944 20 30 BCEDRO COc1cc(C=NNC(N)=[NH2+])cc(Cl)c1O ZINC000309356322 632968168 /nfs/dbraw/zinc/96/81/68/632968168.db2.gz IDTREKKSARNOBL-UHFFFAOYSA-N 1 0 242.666 0.871 20 30 BCEDRO C=C(C)C[NH+]1CCC(NC(=O)CO)CC1 ZINC000894379610 635871255 /nfs/dbraw/zinc/87/12/55/635871255.db2.gz QJBROIFUBXQGHK-UHFFFAOYSA-N 1 0 212.293 0.135 20 30 BCEDRO C[NH+]1CCC(OCC(=O)OCC#N)CC1 ZINC000923788396 633025642 /nfs/dbraw/zinc/02/56/42/633025642.db2.gz BQYCQRFUMQDTFX-UHFFFAOYSA-N 1 0 212.249 0.164 20 30 BCEDRO C=CCOC(=O)COC1CC[NH+](C)CC1 ZINC000923789114 633094724 /nfs/dbraw/zinc/09/47/24/633094724.db2.gz QDBLHMIRYMBYQX-UHFFFAOYSA-N 1 0 213.277 0.826 20 30 BCEDRO C#CCCCC[NH2+]C[C@H](O)CN(C)C1CC1 ZINC000309468301 633109772 /nfs/dbraw/zinc/10/97/72/633109772.db2.gz TYHHWBRHNXTQJV-ZDUSSCGKSA-N 1 0 224.348 0.835 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@H]1C(C)C ZINC000109462113 633122017 /nfs/dbraw/zinc/12/20/17/633122017.db2.gz GGFIUGQINKGESV-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO CN(C)C(=O)CCCNC(=[NH2+])NCC1CCC1 ZINC000170910256 633177085 /nfs/dbraw/zinc/17/70/85/633177085.db2.gz NVIOPIDIDPTKJD-UHFFFAOYSA-N 1 0 240.351 0.559 20 30 BCEDRO COC(=O)c1ccc(CNC(=[NH2+])N(C)C)cc1 ZINC000170905100 633177605 /nfs/dbraw/zinc/17/76/05/633177605.db2.gz JXDXABRLHPOMFA-UHFFFAOYSA-N 1 0 235.287 0.850 20 30 BCEDRO CC(C)SCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000309507679 633181935 /nfs/dbraw/zinc/18/19/35/633181935.db2.gz NWQFYVSNGPLBSN-IUCAKERBSA-N 1 0 227.333 0.356 20 30 BCEDRO C#C[C@@H]([NH2+]CCn1ccnc1)[C@H]1CCCO1 ZINC000309533062 633189089 /nfs/dbraw/zinc/18/90/89/633189089.db2.gz DMAPIIHQQNXYLG-VXGBXAGGSA-N 1 0 219.288 0.654 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1n[nH]cc1C ZINC000327988097 633199266 /nfs/dbraw/zinc/19/92/66/633199266.db2.gz KQNDIIIKDKMXPN-UHFFFAOYSA-N 1 0 234.303 0.403 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H](CC(=O)OC)C1CC1 ZINC000309581788 633206629 /nfs/dbraw/zinc/20/66/29/633206629.db2.gz QNMYSHTWHUMVBO-MNOVXSKESA-N 1 0 227.304 0.855 20 30 BCEDRO Cc1nc(C#N)cc(N2C[C@@H]3C[NH2+]C[C@H]3C2)n1 ZINC000308239944 633219603 /nfs/dbraw/zinc/21/96/03/633219603.db2.gz HNFRAOYXABWNPI-UWVGGRQHSA-N 1 0 229.287 0.312 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)c2cnccc2C#N)CC[N@@H+]1C ZINC000928433436 635928495 /nfs/dbraw/zinc/92/84/95/635928495.db2.gz DVOJVPHWAPMQEF-SKDRFNHKSA-N 1 0 244.298 0.776 20 30 BCEDRO C#Cc1cncc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)c1 ZINC000928435147 635930588 /nfs/dbraw/zinc/93/05/88/635930588.db2.gz LNAKUNUPIVHJFB-GWCFXTLKSA-N 1 0 243.310 0.885 20 30 BCEDRO C[C@H](C#N)OCCN(C)C[C@@H]1CCC[N@@H+]1C ZINC000304295043 635939307 /nfs/dbraw/zinc/93/93/07/635939307.db2.gz ZOISXSUHUUSYMZ-NEPJUHHUSA-N 1 0 225.336 0.941 20 30 BCEDRO CNC(NCCc1nc(C)cs1)=[NH+]C ZINC000306843485 635977130 /nfs/dbraw/zinc/97/71/30/635977130.db2.gz CXFAOQPHIVDRGE-UHFFFAOYSA-N 1 0 212.322 0.789 20 30 BCEDRO C/[NH+]=C(/N(C)C)N1CCC[C@H](CC(N)=O)C1 ZINC000428745371 636026259 /nfs/dbraw/zinc/02/62/59/636026259.db2.gz SVFIVWUGNUEYCD-JLDYROKLSA-N 1 0 226.324 0.121 20 30 BCEDRO CNC(=O)CC1CCN(/C(=[NH+]\C)N(C)C)CC1 ZINC000428745165 636026480 /nfs/dbraw/zinc/02/64/80/636026480.db2.gz DFSKUGUPKBPSJT-OWBHPGMISA-N 1 0 240.351 0.382 20 30 BCEDRO CC[NH+]=C(NCC1(O)CCC1)NC1CC1 ZINC000081779790 636041819 /nfs/dbraw/zinc/04/18/19/636041819.db2.gz YSJJXVBSXTVLET-UHFFFAOYSA-N 1 0 211.309 0.619 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)CCCCC#N ZINC000928552152 636084823 /nfs/dbraw/zinc/08/48/23/636084823.db2.gz HXBOGSOYIITFNK-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1C[C@H]1C ZINC001025660022 633738082 /nfs/dbraw/zinc/73/80/82/633738082.db2.gz SCLLJELXEVEJMW-LVEVGFFFSA-N 1 0 218.300 0.322 20 30 BCEDRO CCC[N@H+](CCO)CCO[C@H](C)C#N ZINC000308583635 633758900 /nfs/dbraw/zinc/75/89/00/633758900.db2.gz LBZCYGVYNBYJED-SNVBAGLBSA-N 1 0 200.282 0.619 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1[C@@H]2CCC[C@@H]21 ZINC001025728447 633752613 /nfs/dbraw/zinc/75/26/13/633752613.db2.gz YPLWDILDBSEFQT-ARDSDWSFSA-N 1 0 244.338 0.712 20 30 BCEDRO C[C@@H](C#N)OC(=O)COC1CC[NH+](C)CC1 ZINC000923789986 633758064 /nfs/dbraw/zinc/75/80/64/633758064.db2.gz XMRMGAQAFCVSGZ-VIFPVBQESA-N 1 0 226.276 0.552 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccn(C)n2)C1 ZINC001019772816 633790114 /nfs/dbraw/zinc/79/01/14/633790114.db2.gz SHTCFNKRMYECEF-JTQLQIEISA-N 1 0 234.303 0.410 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H]2C)C1 ZINC001019957534 633802498 /nfs/dbraw/zinc/80/24/98/633802498.db2.gz MHZOJKMVLMZKCC-DBIOUOCHSA-N 1 0 206.289 0.512 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001019957535 633802997 /nfs/dbraw/zinc/80/29/97/633802997.db2.gz MHZOJKMVLMZKCC-GWOFURMSSA-N 1 0 206.289 0.512 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H]2OCC)C1 ZINC001019999472 633804268 /nfs/dbraw/zinc/80/42/68/633804268.db2.gz PRGBDVPORVTKEP-KKOKHZNYSA-N 1 0 236.315 0.281 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cocn2)C1 ZINC001020024437 633806190 /nfs/dbraw/zinc/80/61/90/633806190.db2.gz LTNOZDAFEGWCGW-KYZUINATSA-N 1 0 221.260 0.711 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001020048394 633807077 /nfs/dbraw/zinc/80/70/77/633807077.db2.gz QDQRVCBJHGCTDS-MGCOHNPYSA-N 1 0 247.298 0.824 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCCCO2)C1 ZINC001020075518 633808829 /nfs/dbraw/zinc/80/88/29/633808829.db2.gz ABVKPITYQXKEND-SRVKXCTJSA-N 1 0 238.331 0.978 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1C[C@@H]1C ZINC001026008492 633830009 /nfs/dbraw/zinc/83/00/09/633830009.db2.gz PHJNJCCMPDMEAW-SVPLCASGSA-N 1 0 232.327 0.712 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C[C@H]1C[C@H]1C ZINC001026008487 633830618 /nfs/dbraw/zinc/83/06/18/633830618.db2.gz PHJNJCCMPDMEAW-SSKLVLDBSA-N 1 0 232.327 0.712 20 30 BCEDRO CCCCCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000309845518 633834472 /nfs/dbraw/zinc/83/44/72/633834472.db2.gz SUHPDSQJUFDPBB-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(C)=O)C[C@H]21 ZINC001026155560 633860563 /nfs/dbraw/zinc/86/05/63/633860563.db2.gz GYJWJSBLWDVKLY-QJPTWQEYSA-N 1 0 206.289 0.466 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H]1C[C@@H]2COC[C@H]2O1 ZINC000930589780 633914639 /nfs/dbraw/zinc/91/46/39/633914639.db2.gz NWGBRJMNCLRFQU-GRYCIOLGSA-N 1 0 209.289 0.745 20 30 BCEDRO CC(C)COC[C@H](O)CNC(=[NH2+])N(C)C1CC1 ZINC000181463818 633917240 /nfs/dbraw/zinc/91/72/40/633917240.db2.gz GEPJFEODQQFYHH-LLVKDONJSA-N 1 0 243.351 0.429 20 30 BCEDRO CCOC(=O)C[C@H](C)CNC(=[NH2+])N(C)C1CC1 ZINC000181484631 633917787 /nfs/dbraw/zinc/91/77/87/633917787.db2.gz VTYXBRZRCATEQY-VIFPVBQESA-N 1 0 241.335 0.985 20 30 BCEDRO COC[C@]1(C)CC[N@H+](C[C@H](O)CC#N)C1 ZINC000930603812 633929413 /nfs/dbraw/zinc/92/94/13/633929413.db2.gz RSSFDZGXDRZSHA-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO COC[C@@]1(C)CC[N@H+](C[C@H](O)CC#N)C1 ZINC000930603813 633930339 /nfs/dbraw/zinc/93/03/39/633930339.db2.gz RSSFDZGXDRZSHA-MNOVXSKESA-N 1 0 212.293 0.619 20 30 BCEDRO N#CC[C@@H](O)C[NH2+][C@@H]1[C@@H]2CCO[C@@H]2C12CCC2 ZINC000930629794 633955790 /nfs/dbraw/zinc/95/57/90/633955790.db2.gz GMMKQRSWLNSHDR-KXNHARMFSA-N 1 0 236.315 0.808 20 30 BCEDRO CC(C)[N@H+](C)C[C@H](C)NC(=O)NCC#CCO ZINC000923769128 633980609 /nfs/dbraw/zinc/98/06/09/633980609.db2.gz XWNKWAOSFLWUKL-NSHDSACASA-N 1 0 241.335 0.010 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCN(C(=O)OC)CC1 ZINC000309663114 633983873 /nfs/dbraw/zinc/98/38/73/633983873.db2.gz SBCYORICLGGTFZ-SECBINFHSA-N 1 0 228.292 0.354 20 30 BCEDRO COC[C@](C)(CCO)[NH2+]CCO[C@@H](C)C#N ZINC000309682545 633987006 /nfs/dbraw/zinc/98/70/06/633987006.db2.gz ZVQZNSWMTJLDJJ-QWRGUYRKSA-N 1 0 230.308 0.292 20 30 BCEDRO COC[C@@](C)(CCO)[NH2+]CCO[C@@H](C)C#N ZINC000309682546 633987275 /nfs/dbraw/zinc/98/72/75/633987275.db2.gz ZVQZNSWMTJLDJJ-WDEREUQCSA-N 1 0 230.308 0.292 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@@H]([NH+](C)C)[C@@H]1C ZINC000309752990 634001733 /nfs/dbraw/zinc/00/17/33/634001733.db2.gz BHJDWMTZXNVAIU-GRYCIOLGSA-N 1 0 225.336 0.939 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@@H]1C[C@@H](OCC)[C@H]1SC ZINC000895490634 636151261 /nfs/dbraw/zinc/15/12/61/636151261.db2.gz RJQBXUOIPKHOEE-KKOKHZNYSA-N 1 0 243.372 0.869 20 30 BCEDRO CCN(C[C@@H](C)C#N)C[C@@H](O)C[NH+]1CCCC1 ZINC000309983039 634026304 /nfs/dbraw/zinc/02/63/04/634026304.db2.gz PLHDTWKNPCNJKJ-QWHCGFSZSA-N 1 0 239.363 0.925 20 30 BCEDRO N#CC1CCC(C[N@H+]2C[C@H](CO)[C@H](O)C2)CC1 ZINC000930699948 634046887 /nfs/dbraw/zinc/04/68/87/634046887.db2.gz LZVUZKAOVJKCPC-FIYWTHMPSA-N 1 0 238.331 0.601 20 30 BCEDRO CC[N@H+](C[C@H](O)CC#N)[C@@H]1CCCOC1 ZINC000930853855 634136104 /nfs/dbraw/zinc/13/61/04/634136104.db2.gz YVLIOCPLWVGBOK-GHMZBOCLSA-N 1 0 212.293 0.762 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)C2(O)CCC2)C1 ZINC000930884597 634151723 /nfs/dbraw/zinc/15/17/23/634151723.db2.gz GEULZRKFWSJVCE-NWDGAFQWSA-N 1 0 223.316 0.608 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@H]2CCCS2(=O)=O)C1 ZINC000930884595 634152825 /nfs/dbraw/zinc/15/28/25/634152825.db2.gz GEBFUMQPFVUSDX-VXGBXAGGSA-N 1 0 241.356 0.909 20 30 BCEDRO CC(C)[N@@H+]1CCC[C@H]1C(=O)N[C@@H](C)C#N ZINC000930907806 634166751 /nfs/dbraw/zinc/16/67/51/634166751.db2.gz NWVITILWPBAVRQ-UWVGGRQHSA-N 1 0 209.293 0.887 20 30 BCEDRO C[C@@H]1[C@@H]([NH+](C)C)CCN1CC(=O)NCCC#N ZINC000931044403 634199740 /nfs/dbraw/zinc/19/97/40/634199740.db2.gz ASVBSDGVIDPASL-MNOVXSKESA-N 1 0 238.335 0.041 20 30 BCEDRO C=CC[NH2+]C1CCC(NC(=O)c2cn[nH]n2)CC1 ZINC001026520407 634200029 /nfs/dbraw/zinc/20/00/29/634200029.db2.gz QBESIHBQXQHGTE-UHFFFAOYSA-N 1 0 249.318 0.621 20 30 BCEDRO C=CC[NH2+]C1CCC(NC(=O)c2nnc[nH]2)CC1 ZINC001026578969 634220066 /nfs/dbraw/zinc/22/00/66/634220066.db2.gz FIYVHQNKMQLLKE-UHFFFAOYSA-N 1 0 249.318 0.621 20 30 BCEDRO C=CCOCC[N@@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000931193621 634265127 /nfs/dbraw/zinc/26/51/27/634265127.db2.gz GWBQLVQKADNBBC-UHFFFAOYSA-N 1 0 237.303 0.686 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CC[C@@H](C[NH2+]CC2CC2)C1 ZINC001026732319 634308742 /nfs/dbraw/zinc/30/87/42/634308742.db2.gz ICSBUQTZHDHTHB-JQWIXIFHSA-N 1 0 235.331 0.994 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCCOCC1CC1 ZINC000082413885 634310678 /nfs/dbraw/zinc/31/06/78/634310678.db2.gz LULLMADPTVBTQV-UHFFFAOYSA-N 1 0 224.304 0.142 20 30 BCEDRO CCOCCCNC(=[NH2+])NCCCCO ZINC000195303014 634357327 /nfs/dbraw/zinc/35/73/27/634357327.db2.gz KFSBYDXCHLRPGZ-UHFFFAOYSA-N 1 0 217.313 0.090 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C1CCN(OC)CC1 ZINC000925697481 634361244 /nfs/dbraw/zinc/36/12/44/634361244.db2.gz OIQMENXROXNHSA-NSHDSACASA-N 1 0 228.336 0.786 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)c1cnn(C)n1 ZINC000925698698 634364574 /nfs/dbraw/zinc/36/45/74/634364574.db2.gz TXFMTFFIGTXZCG-UWVGGRQHSA-N 1 0 224.308 0.650 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1ccc[nH]1 ZINC001027753653 635134572 /nfs/dbraw/zinc/13/45/72/635134572.db2.gz RADXQXYTMDYONE-NSHDSACASA-N 1 0 231.299 0.842 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccn[nH]1 ZINC001027768455 635141411 /nfs/dbraw/zinc/14/14/11/635141411.db2.gz WNOYKHUQHNCOOY-NSHDSACASA-N 1 0 246.314 0.627 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1cn[nH]c1 ZINC001027770609 635142038 /nfs/dbraw/zinc/14/20/38/635142038.db2.gz XLQJEXDQESKOQX-LLVKDONJSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H]1CNC(=O)c1ccon1 ZINC001027772820 635144749 /nfs/dbraw/zinc/14/47/49/635144749.db2.gz GWYXUZVMTVWJEW-NSHDSACASA-N 1 0 247.298 0.892 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)C1=CCOCC1 ZINC001027841912 635172578 /nfs/dbraw/zinc/17/25/78/635172578.db2.gz PKHZLGIBJDXIBH-CYBMUJFWSA-N 1 0 248.326 0.547 20 30 BCEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)nn1 ZINC001027861432 635179554 /nfs/dbraw/zinc/17/95/54/635179554.db2.gz XICRBPUEPGNKAQ-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1ncn(C)n1 ZINC001027866058 635183241 /nfs/dbraw/zinc/18/32/41/635183241.db2.gz VDBHQBDGITWFLZ-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001027875769 635186156 /nfs/dbraw/zinc/18/61/56/635186156.db2.gz XRNIZOXBQWQKBH-UWVGGRQHSA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000980934053 635302106 /nfs/dbraw/zinc/30/21/06/635302106.db2.gz XCKWLFFPORRQGF-QWRGUYRKSA-N 1 0 246.314 0.674 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CCC[C@@H](C#N)C1 ZINC000260114938 635304329 /nfs/dbraw/zinc/30/43/29/635304329.db2.gz RELMONZZIOFXGU-WDEREUQCSA-N 1 0 221.304 0.843 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC000981078996 635316736 /nfs/dbraw/zinc/31/67/36/635316736.db2.gz FHTJQYUHYKVBOH-QWRGUYRKSA-N 1 0 246.314 0.674 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H]1CNC(=O)c1ccnnc1 ZINC001028160783 635437887 /nfs/dbraw/zinc/43/78/87/635437887.db2.gz BUKJNCFVZKQGJM-GFCCVEGCSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccncc2)C1 ZINC001028373851 635664230 /nfs/dbraw/zinc/66/42/30/635664230.db2.gz VBRKWEHRXOWKTI-LBPRGKRZSA-N 1 0 243.310 0.767 20 30 BCEDRO C=C(Cl)CNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000896453432 636194158 /nfs/dbraw/zinc/19/41/58/636194158.db2.gz UFRHNUODMBVVEO-JTQLQIEISA-N 1 0 244.722 0.576 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC1CC[NH+](CC#C)CC1 ZINC000928650329 636260011 /nfs/dbraw/zinc/26/00/11/636260011.db2.gz AFJFHLYTWDFBDO-GFCCVEGCSA-N 1 0 248.326 0.239 20 30 BCEDRO C#CC[N@@H+](C)C1CCN(C(=O)C2CC2)CC1 ZINC000985190338 636262674 /nfs/dbraw/zinc/26/26/74/636262674.db2.gz DXLQEYLAVJYUJS-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NC[C@H]2CCCS2)CCO1 ZINC000262447671 636265804 /nfs/dbraw/zinc/26/58/04/636265804.db2.gz JERQRIVYEZYSSE-VHSXEESVSA-N 1 0 243.376 0.917 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC([N@H+](C)CCO)CC1 ZINC000985331559 636280500 /nfs/dbraw/zinc/28/05/00/636280500.db2.gz IACFXXQGABDVRE-SNVBAGLBSA-N 1 0 239.319 0.061 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1CC[NH2+][C@@H]1C ZINC000167950093 636283854 /nfs/dbraw/zinc/28/38/54/636283854.db2.gz PRUWBTCLFVKEKS-SFYZADRCSA-N 1 0 202.685 0.853 20 30 BCEDRO CNC(N[C@H]1CCN(CC(F)(F)F)C1)=[NH+]C ZINC000303255515 636303573 /nfs/dbraw/zinc/30/35/73/636303573.db2.gz GLYIFQHXGCUBKK-ZETCQYMHSA-N 1 0 238.257 0.418 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCC(=O)NC(C)C ZINC000303252564 636304549 /nfs/dbraw/zinc/30/45/49/636304549.db2.gz BPKAWLQXSITVIO-SECBINFHSA-N 1 0 228.340 0.604 20 30 BCEDRO NC(=[NH2+])NCC(=O)Nc1ccc(F)c(F)c1F ZINC000303269055 636305011 /nfs/dbraw/zinc/30/50/11/636305011.db2.gz ZRHSVGKJSRZETJ-UHFFFAOYSA-N 1 0 246.192 0.316 20 30 BCEDRO C[NH+]=C(NCCOC)NCc1ccco1 ZINC000303396737 636307959 /nfs/dbraw/zinc/30/79/59/636307959.db2.gz IEOKPPCQEZRBOG-UHFFFAOYSA-N 1 0 211.265 0.591 20 30 BCEDRO [NH2+]=C(NCCn1cccn1)N1CCCCC1 ZINC000303888364 636314220 /nfs/dbraw/zinc/31/42/20/636314220.db2.gz OXAMBSOINGULHO-UHFFFAOYSA-N 1 0 221.308 0.684 20 30 BCEDRO CCNC(=O)C(C)(C)CNC(=[NH2+])N[C@H](C)CC ZINC000305233045 636325610 /nfs/dbraw/zinc/32/56/10/636325610.db2.gz ZHVRCOLQVHOZIO-SECBINFHSA-N 1 0 242.367 0.852 20 30 BCEDRO C=CC[N@@H+](C)C1CCN(C(=O)c2cn[nH]n2)CC1 ZINC000985516623 636327699 /nfs/dbraw/zinc/32/76/99/636327699.db2.gz BPJCKZJAJCETSK-UHFFFAOYSA-N 1 0 249.318 0.527 20 30 BCEDRO CC[C@H](CO)NC(NCc1ccco1)=[NH+]C ZINC000305756048 636330987 /nfs/dbraw/zinc/33/09/87/636330987.db2.gz ASKSNYGXNOXKOH-SECBINFHSA-N 1 0 225.292 0.716 20 30 BCEDRO C#CC[N@@H+](C)C1CCN(C(=O)c2cnon2)CC1 ZINC000985712162 636390768 /nfs/dbraw/zinc/39/07/68/636390768.db2.gz WEHUUTCMTOTDFW-UHFFFAOYSA-N 1 0 248.286 0.239 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(F)F)[C@@H]1C ZINC000985836749 636426565 /nfs/dbraw/zinc/42/65/65/636426565.db2.gz GLTWSMSGZOGHBI-SFYZADRCSA-N 1 0 216.231 0.464 20 30 BCEDRO C#C[C@@H]1CCCCN1c1nc(N)[nH+]c(N)n1 ZINC000897360510 636421808 /nfs/dbraw/zinc/42/18/08/636421808.db2.gz IMSDRVUBOYTCQG-SSDOTTSWSA-N 1 0 218.264 0.028 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)COC)[C@@H]1C ZINC000985833450 636424889 /nfs/dbraw/zinc/42/48/89/636424889.db2.gz RFZJNAAFWXGOGB-NXEZZACHSA-N 1 0 246.738 0.964 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(F)F)[C@H]1C ZINC000985836748 636426018 /nfs/dbraw/zinc/42/60/18/636426018.db2.gz GLTWSMSGZOGHBI-JGVFFNPUSA-N 1 0 216.231 0.464 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(F)F)[C@H]1C ZINC000985836750 636426687 /nfs/dbraw/zinc/42/66/87/636426687.db2.gz GLTWSMSGZOGHBI-YUMQZZPRSA-N 1 0 216.231 0.464 20 30 BCEDRO COCCN(C)C(=[NH2+])NCC1(CC#N)CC1 ZINC000871607039 636428771 /nfs/dbraw/zinc/42/87/71/636428771.db2.gz VTBQCZJPKJFSCT-UHFFFAOYSA-N 1 0 224.308 0.783 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C2CCC2)[C@H]1C ZINC000985850438 636431510 /nfs/dbraw/zinc/43/15/10/636431510.db2.gz UNOWCLCNPBIELC-CMPLNLGQSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2cccn2)[C@H]1C ZINC000985968474 636458480 /nfs/dbraw/zinc/45/84/80/636458480.db2.gz FUDLDAFTWDCTTD-RYUDHWBXSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C)n[nH]2)[C@H]1C ZINC000986012746 636467839 /nfs/dbraw/zinc/46/78/39/636467839.db2.gz VFYFDJDMKRXBOW-WDEREUQCSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cncs2)[C@H]1C ZINC000986016118 636470265 /nfs/dbraw/zinc/47/02/65/636470265.db2.gz FHRAGUXOXJHFPF-UWVGGRQHSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cocn2)[C@@H]1C ZINC000986047320 636478162 /nfs/dbraw/zinc/47/81/62/636478162.db2.gz QOGPMTHFAQPTIG-ZJUUUORDSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cscn2)[C@H]1C ZINC000986070844 636486393 /nfs/dbraw/zinc/48/63/93/636486393.db2.gz UNDJFLHEFOJOOK-VHSXEESVSA-N 1 0 249.339 0.969 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)CC(N)=O)[C@@H]1C ZINC000986088379 636497658 /nfs/dbraw/zinc/49/76/58/636497658.db2.gz BLHIJESBHSKKFY-NXEZZACHSA-N 1 0 239.319 0.017 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1COC[C@H]1C ZINC000928914486 636507133 /nfs/dbraw/zinc/50/71/33/636507133.db2.gz XRJBZNWECGFJSD-ZJUUUORDSA-N 1 0 212.293 0.255 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn(C)cn2)[C@H]1C ZINC000986154631 636534334 /nfs/dbraw/zinc/53/43/34/636534334.db2.gz SGEWYIFBCKKJSK-QWRGUYRKSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C#CC2CC2)[C@H]1C ZINC000986280953 636551825 /nfs/dbraw/zinc/55/18/25/636551825.db2.gz QYYGIZJKUHSGSP-AAEUAGOBSA-N 1 0 230.311 0.612 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccns2)[C@@H]1C ZINC000986331950 636553626 /nfs/dbraw/zinc/55/36/26/636553626.db2.gz KUKLRHHEUVOMER-NXEZZACHSA-N 1 0 249.339 0.969 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc[nH]c2)[C@@H]1C ZINC000986298826 636553942 /nfs/dbraw/zinc/55/39/42/636553942.db2.gz DDWYYUFHNKZKKW-ZYHUDNBSSA-N 1 0 231.299 0.841 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2nc(C)c[nH]2)[C@@H]1C ZINC000987163646 636638605 /nfs/dbraw/zinc/63/86/05/636638605.db2.gz YUAYLXDEEBZEJJ-MNOVXSKESA-N 1 0 246.314 0.544 20 30 BCEDRO CCn1ccc(CNC(=[NH2+])NC2CCC2)n1 ZINC000263172659 636638630 /nfs/dbraw/zinc/63/86/30/636638630.db2.gz SHCBZCHBLWJHTN-UHFFFAOYSA-N 1 0 221.308 0.860 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnon2)[C@H]1C ZINC000987211319 636641958 /nfs/dbraw/zinc/64/19/58/636641958.db2.gz ICJHRZPMPWGVKM-DTWKUNHWSA-N 1 0 236.275 0.448 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cccnn2)[C@H]1C ZINC000987234157 636642852 /nfs/dbraw/zinc/64/28/52/636642852.db2.gz JLDTWGIOXJBFSF-WDEREUQCSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2oncc2C)[C@@H]1C ZINC000987295649 636646225 /nfs/dbraw/zinc/64/62/25/636646225.db2.gz WCQRHZIIUSUGQY-GHMZBOCLSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000321439640 636646593 /nfs/dbraw/zinc/64/65/93/636646593.db2.gz MKTFRPHUVRRZTP-HBNTYKKESA-N 1 0 226.320 0.570 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nocc2C)[C@@H]1C ZINC000987315018 636647074 /nfs/dbraw/zinc/64/70/74/636647074.db2.gz XPHOGJQNVGNFFW-GHMZBOCLSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2nnc[nH]2)[C@H]1C ZINC000987317261 636647218 /nfs/dbraw/zinc/64/72/18/636647218.db2.gz GKVSICTVUVGWQZ-UWVGGRQHSA-N 1 0 249.318 0.112 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2cncn2)[C@H]1C ZINC000987472422 636651185 /nfs/dbraw/zinc/65/11/85/636651185.db2.gz SPYBXTRNMUJMLD-QWRGUYRKSA-N 1 0 249.318 0.043 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cc2ccc[nH]2)[C@@H]1C ZINC000987559662 636652392 /nfs/dbraw/zinc/65/23/92/636652392.db2.gz GNNKPBVOHRAQJD-DGCLKSJQSA-N 1 0 245.326 0.769 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cn2ccnc2)[C@H]1C ZINC000987605222 636654516 /nfs/dbraw/zinc/65/45/16/636654516.db2.gz OTBFDOMUQKKPAP-RYUDHWBXSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2)[C@@H]1C ZINC000987605223 636654751 /nfs/dbraw/zinc/65/47/51/636654751.db2.gz OTBFDOMUQKKPAP-VXGBXAGGSA-N 1 0 246.314 0.095 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1C[C@H](C)N(C(=O)COC)C1 ZINC000987658620 636659432 /nfs/dbraw/zinc/65/94/32/636659432.db2.gz SLTIVRHSTZHSRM-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CC2)C1 ZINC000987679313 636662000 /nfs/dbraw/zinc/66/20/00/636662000.db2.gz GGERZTCGDRSOFJ-ONGXEEELSA-N 1 0 206.289 0.609 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(F)F)C1 ZINC000987696038 636662971 /nfs/dbraw/zinc/66/29/71/636662971.db2.gz OSNVERNQKVGWHL-HTQZYQBOSA-N 1 0 216.231 0.464 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C(C)(F)F)C1 ZINC000987741519 636665506 /nfs/dbraw/zinc/66/55/06/636665506.db2.gz DDAIVKDXBBHOAW-IUCAKERBSA-N 1 0 230.258 0.854 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)CCC)C1 ZINC000987839941 636670675 /nfs/dbraw/zinc/67/06/75/636670675.db2.gz IXICIQRFSXMFAA-WDEREUQCSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(C)c2)C1 ZINC000987987912 636674209 /nfs/dbraw/zinc/67/42/09/636674209.db2.gz XIIYKWLDDUVQFZ-JQWIXIFHSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cnn(C)c2)C1 ZINC000987987914 636674648 /nfs/dbraw/zinc/67/46/48/636674648.db2.gz XIIYKWLDDUVQFZ-PWSUYJOCSA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccc[nH]2)C1 ZINC000988035914 636676153 /nfs/dbraw/zinc/67/61/53/636676153.db2.gz IZLHHJNKWOKGSI-WDEREUQCSA-N 1 0 231.299 0.841 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)Cn2cccn2)C1 ZINC000988081200 636679378 /nfs/dbraw/zinc/67/93/78/636679378.db2.gz SAEVHOGMWHOFDY-NEPJUHHUSA-N 1 0 246.314 0.095 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2ccnn2C)C1 ZINC000988331731 636688746 /nfs/dbraw/zinc/68/87/46/636688746.db2.gz BJXGSTVNWWLOCD-GHMZBOCLSA-N 1 0 248.330 0.799 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)CC(N)=O)C1 ZINC000988424970 636706627 /nfs/dbraw/zinc/70/66/27/636706627.db2.gz WGFYPTZXOSMNDJ-ZJUUUORDSA-N 1 0 239.319 0.017 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)[C@H]1CCC[N@@H+]1C ZINC000863786527 636722087 /nfs/dbraw/zinc/72/20/87/636722087.db2.gz CBOPKIJCXMAKEJ-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[C@@H]1NC(=O)N([C@@H]2CCC[N@@H+](CC)C2)C1=O ZINC000925290054 636734732 /nfs/dbraw/zinc/73/47/32/636734732.db2.gz APZMIZLXYRGHBT-MNOVXSKESA-N 1 0 249.314 0.414 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2coc(C)n2)C1 ZINC000988666444 636754502 /nfs/dbraw/zinc/75/45/02/636754502.db2.gz KHGLMTIPSFOTRW-ONGXEEELSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cn(C)nn2)C1 ZINC000988779507 636786500 /nfs/dbraw/zinc/78/65/00/636786500.db2.gz UQHQUHYBDMHTJL-VHSXEESVSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cn[nH]n2)C1 ZINC000989092145 636797056 /nfs/dbraw/zinc/79/70/56/636797056.db2.gz JPMXPAHCSCGMPQ-IUCAKERBSA-N 1 0 235.291 0.183 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cncn2C)C1 ZINC000989117974 636799332 /nfs/dbraw/zinc/79/93/32/636799332.db2.gz DSUFWZDKUUSTGY-QWRGUYRKSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc(F)c[nH]2)C1 ZINC000989203076 636803500 /nfs/dbraw/zinc/80/35/00/636803500.db2.gz VEIWSBBGLMUEHL-KOLCDFICSA-N 1 0 249.289 0.980 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cnco2)C1 ZINC000989251451 636807352 /nfs/dbraw/zinc/80/73/52/636807352.db2.gz DPJRORNTIGXDSE-VHSXEESVSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2c[nH]nc2C)C1 ZINC000989264895 636810591 /nfs/dbraw/zinc/81/05/91/636810591.db2.gz AAMAKVSCBVSJAQ-ONGXEEELSA-N 1 0 246.314 0.544 20 30 BCEDRO CC#CCN(C)C(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000897862092 636840431 /nfs/dbraw/zinc/84/04/31/636840431.db2.gz YHKIDPBRACGPTO-GFCCVEGCSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CC[C@H]1NC(=O)N([C@H]2CC[N@@H+](CC)C2)C1=O ZINC000925320429 636856724 /nfs/dbraw/zinc/85/67/24/636856724.db2.gz FVNYNNZRXYQJFA-VHSXEESVSA-N 1 0 235.287 0.024 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccncn2)C1 ZINC000989566285 636863592 /nfs/dbraw/zinc/86/35/92/636863592.db2.gz UCBGVVCBUQZQDZ-WDEREUQCSA-N 1 0 246.314 0.855 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC000989572986 636863920 /nfs/dbraw/zinc/86/39/20/636863920.db2.gz PEPVMQBDMQOTLL-NXEZZACHSA-N 1 0 249.318 0.573 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cccnn2)C1 ZINC000989592819 636866454 /nfs/dbraw/zinc/86/64/54/636866454.db2.gz DGIUEXCGFXQTDP-QWRGUYRKSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccccc1C ZINC000082239393 636868687 /nfs/dbraw/zinc/86/86/87/636868687.db2.gz BQPYSALXEXMCHT-UHFFFAOYSA-N 1 0 216.284 0.834 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2nocc2C)C1 ZINC000989650512 636870342 /nfs/dbraw/zinc/87/03/42/636870342.db2.gz QMPQRMBUQIOHKC-GHMZBOCLSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)Cc2nnc[nH]2)C1 ZINC000989658290 636871016 /nfs/dbraw/zinc/87/10/16/636871016.db2.gz VSUIQPFPPOKCNG-VHSXEESVSA-N 1 0 249.318 0.112 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCc2ccccc2CC1 ZINC000083662403 636872264 /nfs/dbraw/zinc/87/22/64/636872264.db2.gz ULGJLNSDAKBTCN-UHFFFAOYSA-N 1 0 242.322 0.837 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccn(C)n2)C1 ZINC000989792841 636880053 /nfs/dbraw/zinc/88/00/53/636880053.db2.gz GIROWEAJJWUJNA-WDEREUQCSA-N 1 0 246.314 0.246 20 30 BCEDRO C=C(Cl)C[NH2+]C1CCN(C(=O)COC)CC1 ZINC000989828265 636883704 /nfs/dbraw/zinc/88/37/04/636883704.db2.gz YBJLXTUQBIHDAY-UHFFFAOYSA-N 1 0 246.738 0.966 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2nonc2C)C1 ZINC000989850149 636884831 /nfs/dbraw/zinc/88/48/31/636884831.db2.gz NODLMWNPMGVOMJ-SCZZXKLOSA-N 1 0 248.286 0.204 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2ccnc2)C1 ZINC000989853065 636884881 /nfs/dbraw/zinc/88/48/81/636884881.db2.gz FBPFPPZFWOTOIE-VXGBXAGGSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[N@@H+]1CC[C@@]2(NC(=O)C(F)F)CCC[C@@H]12 ZINC000989883533 636889952 /nfs/dbraw/zinc/88/99/52/636889952.db2.gz KMSFRJHDKOWEDQ-SKDRFNHKSA-N 1 0 242.269 0.998 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccc(C)cc1 ZINC000087555872 636895916 /nfs/dbraw/zinc/89/59/16/636895916.db2.gz QCQQBLCVYYRSOM-UHFFFAOYSA-N 1 0 216.284 0.834 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2ccon2)CC1 ZINC000990029578 636915384 /nfs/dbraw/zinc/91/53/84/636915384.db2.gz KLJIWZPLQRTJDS-UHFFFAOYSA-N 1 0 233.271 0.502 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cncs2)CC1 ZINC000990065019 636917824 /nfs/dbraw/zinc/91/78/24/636917824.db2.gz BBPFBVFEZSLSSU-UHFFFAOYSA-N 1 0 249.339 0.971 20 30 BCEDRO CC[NH2+]C1CCN(C(=O)[C@H](C)C#N)CC1 ZINC000990315259 636927025 /nfs/dbraw/zinc/92/70/25/636927025.db2.gz RSLXWUSNFCIYLC-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)Cc2ccon2)CC1 ZINC000990435127 636945683 /nfs/dbraw/zinc/94/56/83/636945683.db2.gz LBQRIUJKVATFQT-UHFFFAOYSA-N 1 0 249.314 0.984 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)Cn2nccn2)C1 ZINC001014569394 636961212 /nfs/dbraw/zinc/96/12/12/636961212.db2.gz ZZHHOUQHXOHRET-NSHDSACASA-N 1 0 249.318 0.045 20 30 BCEDRO C=CCC[C@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927028229 636998359 /nfs/dbraw/zinc/99/83/59/636998359.db2.gz WJAXXQDJIBJLTN-VHSXEESVSA-N 1 0 235.349 0.336 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H]1CCC[C@H]1O ZINC000923808406 637032815 /nfs/dbraw/zinc/03/28/15/637032815.db2.gz XOJCPMPJVMWLTL-GHMZBOCLSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000898661646 637052428 /nfs/dbraw/zinc/05/24/28/637052428.db2.gz ITEFKPKAJHJDAZ-NSHDSACASA-N 1 0 224.304 0.399 20 30 BCEDRO CC[C@@H](C#N)NC(=O)C[N@H+](C)C1CCC1 ZINC000900471274 637189058 /nfs/dbraw/zinc/18/90/58/637189058.db2.gz IQBTVRYFBUJODP-VIFPVBQESA-N 1 0 209.293 0.889 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccnn1C ZINC000900142292 637174212 /nfs/dbraw/zinc/17/42/12/637174212.db2.gz RODUCNSWVFOWFW-UHFFFAOYSA-N 1 0 236.319 0.544 20 30 BCEDRO N#CCNC(=O)[C@H]1CC[C@@H]2CCCC[N@H+]12 ZINC000900464965 637187765 /nfs/dbraw/zinc/18/77/65/637187765.db2.gz WGKOQUDFCFJDGE-VHSXEESVSA-N 1 0 207.277 0.643 20 30 BCEDRO CC[C@@H](C#N)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000900471083 637188984 /nfs/dbraw/zinc/18/89/84/637188984.db2.gz GFBWEEUOIAQAPJ-JQWIXIFHSA-N 1 0 239.319 0.252 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)c1nc[nH]n1 ZINC000900903660 637197184 /nfs/dbraw/zinc/19/71/84/637197184.db2.gz JQKUTJFJHAUDGK-VIFPVBQESA-N 1 0 237.307 0.490 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@H]2CC[C@@H](C1)O2 ZINC000900908424 637204692 /nfs/dbraw/zinc/20/46/92/637204692.db2.gz QUBWFTHGGSAGTB-TXEJJXNPSA-N 1 0 238.331 0.884 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@]1(C)CCOC1 ZINC000901210755 637233200 /nfs/dbraw/zinc/23/32/00/637233200.db2.gz GRBMNNRXJMPAAT-GFCCVEGCSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCNC(=O)N1CC[C@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000905004378 637540780 /nfs/dbraw/zinc/54/07/80/637540780.db2.gz IYTKECZHTSVLTH-JGVFFNPUSA-N 1 0 249.236 0.541 20 30 BCEDRO CCNC(NC/C=C(\C)C(=O)OC)=[NH+]CC ZINC000905032455 637553203 /nfs/dbraw/zinc/55/32/03/637553203.db2.gz LWIJGVSCFJMEDO-VQHVLOKHSA-N 1 0 227.308 0.681 20 30 BCEDRO CNC(NCc1cc(N(C)C)ccn1)=[NH+]C ZINC000905032451 637554103 /nfs/dbraw/zinc/55/41/03/637554103.db2.gz LVLAJDJGYLMRMD-UHFFFAOYSA-N 1 0 221.308 0.442 20 30 BCEDRO CNC(NCC(C)(C)CC(=O)OC)=[NH+]C ZINC000905032265 637554109 /nfs/dbraw/zinc/55/41/09/637554109.db2.gz DCTRJFHUDNSDLP-UHFFFAOYSA-N 1 0 215.297 0.371 20 30 BCEDRO CNC(NCC1(C2(O)CCOCC2)CC1)=[NH+]C ZINC000905032668 637554437 /nfs/dbraw/zinc/55/44/37/637554437.db2.gz WJBJNOMKQQMBIK-UHFFFAOYSA-N 1 0 241.335 0.103 20 30 BCEDRO O[C@H](C[NH2+]CC#Cc1ccccc1)C1(O)CCC1 ZINC000905031572 637577306 /nfs/dbraw/zinc/57/73/06/637577306.db2.gz RXOWKHZQMARYGW-CQSZACIVSA-N 1 0 245.322 0.904 20 30 BCEDRO C[C@@H](C#N)C[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905104394 637611781 /nfs/dbraw/zinc/61/17/81/637611781.db2.gz FSXFCMFHGHIOLA-QWRGUYRKSA-N 1 0 226.320 0.792 20 30 BCEDRO N#CCCCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905095252 637633321 /nfs/dbraw/zinc/63/33/21/637633321.db2.gz CUIVFPCECOKBFY-LLVKDONJSA-N 1 0 226.320 0.936 20 30 BCEDRO N#CCCCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905095253 637634464 /nfs/dbraw/zinc/63/44/64/637634464.db2.gz CUIVFPCECOKBFY-NSHDSACASA-N 1 0 226.320 0.936 20 30 BCEDRO C#CCCCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905158250 637639511 /nfs/dbraw/zinc/63/95/11/637639511.db2.gz HHKBZCGMLYNPPQ-LLVKDONJSA-N 1 0 211.305 0.655 20 30 BCEDRO C#CCCCC[NH2+]C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000905160810 637652252 /nfs/dbraw/zinc/65/22/52/637652252.db2.gz SSHZGYVRISXTNO-STQMWFEESA-N 1 0 241.331 0.282 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)CC1(O)CCCC1 ZINC000905203551 637695668 /nfs/dbraw/zinc/69/56/68/637695668.db2.gz RKJYUMOLCAIYGQ-LBPRGKRZSA-N 1 0 243.347 0.835 20 30 BCEDRO N#CC1(C[NH2+]C[C@@H](O)CCC2(O)CCC2)CC1 ZINC000905244016 637703602 /nfs/dbraw/zinc/70/36/02/637703602.db2.gz OHVACNLPHTYOFZ-NSHDSACASA-N 1 0 238.331 0.936 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)C1(O)CCCC1)C(C)C ZINC000905246125 637705566 /nfs/dbraw/zinc/70/55/66/637705566.db2.gz GUWBQSPUSREGJL-NWDGAFQWSA-N 1 0 225.332 0.900 20 30 BCEDRO C=CC(C)(C)C[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000905272399 637730513 /nfs/dbraw/zinc/73/05/13/637730513.db2.gz GWHWMDWQEVPNFK-DGCLKSJQSA-N 1 0 243.347 0.691 20 30 BCEDRO C=C(C)CC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905272891 637731934 /nfs/dbraw/zinc/73/19/34/637731934.db2.gz LFQKMYYMKZTWLL-NWDGAFQWSA-N 1 0 229.320 0.445 20 30 BCEDRO C=C(CC)C[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905281699 637736466 /nfs/dbraw/zinc/73/64/66/637736466.db2.gz VBYRUVKIKHOSDP-NWDGAFQWSA-N 1 0 229.320 0.445 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@](C)(O)C(F)F ZINC000905354957 637773588 /nfs/dbraw/zinc/77/35/88/637773588.db2.gz QIFFANYVUPYWRK-WPRPVWTQSA-N 1 0 223.263 0.919 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905364309 637787732 /nfs/dbraw/zinc/78/77/32/637787732.db2.gz DFIRFUVJKXMELL-MNOVXSKESA-N 1 0 229.320 0.037 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905364310 637787830 /nfs/dbraw/zinc/78/78/30/637787830.db2.gz DFIRFUVJKXMELL-QWRGUYRKSA-N 1 0 229.320 0.037 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905367223 637790052 /nfs/dbraw/zinc/79/00/52/637790052.db2.gz XNRWBWADLHBJFH-RYUDHWBXSA-N 1 0 241.331 0.016 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]C[C@H]1C=CCC1 ZINC000905409792 637799363 /nfs/dbraw/zinc/79/93/63/637799363.db2.gz MRIRDZRUYZAMAJ-QWHCGFSZSA-N 1 0 237.347 0.749 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)CCOCC ZINC000905454931 637820086 /nfs/dbraw/zinc/82/00/86/637820086.db2.gz VWGVQIRCZSCJNO-NWDGAFQWSA-N 1 0 231.336 0.691 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1cnc2ncccn12 ZINC000905479963 637819161 /nfs/dbraw/zinc/81/91/61/637819161.db2.gz YHAUWQPZCXLGCS-UHFFFAOYSA-N 1 0 243.274 0.002 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)COC(C)C ZINC000905455224 637820673 /nfs/dbraw/zinc/82/06/73/637820673.db2.gz XNDLYVDNQVCMJM-NEPJUHHUSA-N 1 0 231.336 0.689 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@@H](O)CSC ZINC000905454448 637820789 /nfs/dbraw/zinc/82/07/89/637820789.db2.gz SXWJOAAWNTWUHV-VHSXEESVSA-N 1 0 219.350 0.627 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)COCC)C1 ZINC000905459122 637822955 /nfs/dbraw/zinc/82/29/55/637822955.db2.gz FDCPRIMNYRGLTO-CHWSQXEVSA-N 1 0 240.347 0.071 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C[C@@H](O)C2CC2)C1 ZINC000905459212 637823359 /nfs/dbraw/zinc/82/33/59/637823359.db2.gz FXAZYXWHYCCGRK-CHWSQXEVSA-N 1 0 222.332 0.445 20 30 BCEDRO C#CCN1CCC[C@H](NC(=S)NCC=C)C1 ZINC000905571786 637850407 /nfs/dbraw/zinc/85/04/07/637850407.db2.gz SEXGTZDPUXKLRV-NSHDSACASA-N 1 0 237.372 0.734 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@@H]2CCC[C@H]12 ZINC000905667918 637877343 /nfs/dbraw/zinc/87/73/43/637877343.db2.gz SCSMREPTGNATCV-SDDRHHMPSA-N 1 0 220.316 0.904 20 30 BCEDRO Cn1cnc(C[NH2+]C[C@@H](O)CC(C)(C)C#N)c1 ZINC000905683377 637888922 /nfs/dbraw/zinc/88/89/22/637888922.db2.gz QDDRQTBYUWKYME-NSHDSACASA-N 1 0 236.319 0.810 20 30 BCEDRO Cn1cnc(C[NH2+]C[C@H](O)CC(C)(C)C#N)c1 ZINC000905683371 637889571 /nfs/dbraw/zinc/88/95/71/637889571.db2.gz QDDRQTBYUWKYME-LLVKDONJSA-N 1 0 236.319 0.810 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]C/C=C\Cl ZINC000905709765 637892559 /nfs/dbraw/zinc/89/25/59/637892559.db2.gz ZPNHSVJIOSPKID-GQPNGRKGSA-N 1 0 231.727 0.535 20 30 BCEDRO Cc1cc(C#N)c(=O)n(C[C@@H]2C[NH2+]C[C@H]2C)c1 ZINC000905733294 637902455 /nfs/dbraw/zinc/90/24/55/637902455.db2.gz HJCYHUDIAQHIKJ-PWSUYJOCSA-N 1 0 231.299 0.884 20 30 BCEDRO CN1CC[C@@H]1C[NH2+]C[C@@H](C#N)CCC#N ZINC000905854251 637964343 /nfs/dbraw/zinc/96/43/43/637964343.db2.gz KYYUMMTYPCCZBF-GHMZBOCLSA-N 1 0 206.293 0.724 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906724037 638239797 /nfs/dbraw/zinc/23/97/97/638239797.db2.gz DRIOCVKABBTDNE-LLVKDONJSA-N 1 0 239.363 0.561 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H](C)CC(=O)OC ZINC000906795561 638248581 /nfs/dbraw/zinc/24/85/81/638248581.db2.gz KSWFADPUZBJDNZ-VIFPVBQESA-N 1 0 228.292 0.172 20 30 BCEDRO C=C[C@@H](C)NC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906964311 638279699 /nfs/dbraw/zinc/27/96/99/638279699.db2.gz LPRXLEUAUATDLK-SNVBAGLBSA-N 1 0 225.336 0.171 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@H](COC)OC ZINC000907283453 638341372 /nfs/dbraw/zinc/34/13/72/638341372.db2.gz ICSHXKADJZPFBL-LLVKDONJSA-N 1 0 244.335 0.272 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@]1(C)CO ZINC000907374845 638365570 /nfs/dbraw/zinc/36/55/70/638365570.db2.gz RRSQMZAQCWMMNY-ZDUSSCGKSA-N 1 0 240.347 0.868 20 30 BCEDRO C=CCN(C)C(=O)[C@]1(C)C[C@H](O)C[N@@H+]1C ZINC000907517616 638402108 /nfs/dbraw/zinc/40/21/08/638402108.db2.gz DZNFWMPUBARCRE-ONGXEEELSA-N 1 0 212.293 0.086 20 30 BCEDRO C#C[C@H](CCC)NC(=O)[C@@]1(C)C[C@@H](O)C[N@@H+]1C ZINC000907713836 638443691 /nfs/dbraw/zinc/44/36/91/638443691.db2.gz NFSJSGBHJHYDFO-NQBHXWOUSA-N 1 0 238.331 0.360 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCC1CC(O)C1 ZINC000907754423 638461178 /nfs/dbraw/zinc/46/11/78/638461178.db2.gz QLVHTIMAPRACRP-UHFFFAOYSA-N 1 0 240.347 0.772 20 30 BCEDRO N#CCC1(CNC(=O)Cc2c[nH]cn2)CC1 ZINC000907934801 638525872 /nfs/dbraw/zinc/52/58/72/638525872.db2.gz DTQCRQSEGBOURE-UHFFFAOYSA-N 1 0 218.260 0.762 20 30 BCEDRO O=C(NCC#CCO)[C@@H]1CC[C@H]2CCCC[N@@H+]21 ZINC000908032567 638555617 /nfs/dbraw/zinc/55/56/17/638555617.db2.gz QCMJHOFCNNJMMC-NEPJUHHUSA-N 1 0 236.315 0.115 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccncn1 ZINC000908198430 638606046 /nfs/dbraw/zinc/60/60/46/638606046.db2.gz MEXBPLATHVNLRK-UHFFFAOYSA-N 1 0 234.303 0.601 20 30 BCEDRO C=CC(C)(C)CC(=O)N[C@@H](CO)C[NH+](C)C ZINC000908200687 638607832 /nfs/dbraw/zinc/60/78/32/638607832.db2.gz LZRXBZUAOKYRNJ-SNVBAGLBSA-N 1 0 228.336 0.627 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1(CCO)CC1 ZINC000908377962 638673480 /nfs/dbraw/zinc/67/34/80/638673480.db2.gz RUBGRUMOIBGIKI-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO N#CC1CN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000908398044 638694564 /nfs/dbraw/zinc/69/45/64/638694564.db2.gz DLKFUMRTECKLRP-UHFFFAOYSA-N 1 0 205.261 0.064 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1cc(CC)on1 ZINC000908436218 638712445 /nfs/dbraw/zinc/71/24/45/638712445.db2.gz DZXVKAHILQJOON-UHFFFAOYSA-N 1 0 249.314 0.922 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H](C)[C@H](O)CC ZINC000908436912 638712884 /nfs/dbraw/zinc/71/28/84/638712884.db2.gz ZOEHVDHBTRDPKP-NWDGAFQWSA-N 1 0 240.347 0.465 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@@H](O)CC1 ZINC000908458348 638742239 /nfs/dbraw/zinc/74/22/39/638742239.db2.gz SHQQUQFDDWJBDS-GFCCVEGCSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(C)CCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000908928906 639102217 /nfs/dbraw/zinc/10/22/17/639102217.db2.gz IQHONMJGSABRBG-JQWIXIFHSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)CCNC(=O)C[C@@]1(O)CCC[N@@H+](C)C1 ZINC000908930136 639104439 /nfs/dbraw/zinc/10/44/39/639104439.db2.gz SLUVYPDMDGFHSQ-ZDUSSCGKSA-N 1 0 240.347 0.916 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](CC)[C@@H](C)O ZINC000909025909 639127876 /nfs/dbraw/zinc/12/78/76/639127876.db2.gz NGXAMMFHSWOSQH-MNOVXSKESA-N 1 0 228.336 0.770 20 30 BCEDRO CC[N@@H+]1CCCN(C(=O)C=NOC)[C@@H](C)C1 ZINC000910272763 639399855 /nfs/dbraw/zinc/39/98/55/639399855.db2.gz HBLRTDHLWMUFOM-JTQLQIEISA-N 1 0 227.308 0.561 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(CO)ccn1 ZINC000911240094 639601477 /nfs/dbraw/zinc/60/14/77/639601477.db2.gz PEMXYWOXFCCHML-UHFFFAOYSA-N 1 0 235.287 0.630 20 30 BCEDRO C[C@H](O)[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000930218590 639637323 /nfs/dbraw/zinc/63/73/23/639637323.db2.gz ATZSDBODIRVUBY-GXFFZTMASA-N 1 0 246.310 0.879 20 30 BCEDRO N#CC1CCC(C[NH2+]C2(C(N)=O)CC2)CC1 ZINC000930244776 639651509 /nfs/dbraw/zinc/65/15/09/639651509.db2.gz VHKGALKDTBBDOY-UHFFFAOYSA-N 1 0 221.304 0.924 20 30 BCEDRO C[C@@]1(O)CCC[N@H+](C[C@H](O)CC#N)CC1 ZINC000930280393 639679746 /nfs/dbraw/zinc/67/97/46/639679746.db2.gz WUSCEKKMIQAGOD-GHMZBOCLSA-N 1 0 212.293 0.498 20 30 BCEDRO C=CCCCCNC(=O)C(=O)NCC1([NH3+])CC1 ZINC000911507472 639657937 /nfs/dbraw/zinc/65/79/37/639657937.db2.gz XSJIWVBUMSWRJL-UHFFFAOYSA-N 1 0 239.319 0.066 20 30 BCEDRO CN(C[C@H](O)CC#N)CC1([NH+](C)C)CCC1 ZINC000930249032 639658319 /nfs/dbraw/zinc/65/83/19/639658319.db2.gz OOFAKMLEJXVXJJ-LLVKDONJSA-N 1 0 225.336 0.677 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)Nc1cccnn1 ZINC000930253740 639667007 /nfs/dbraw/zinc/66/70/07/639667007.db2.gz ZEQWMOSZSLWNHJ-UHFFFAOYSA-N 1 0 220.276 0.923 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1CO[C@H](C)C1 ZINC000911598916 639671890 /nfs/dbraw/zinc/67/18/90/639671890.db2.gz GHRNBLPYQIFTHN-MNOVXSKESA-N 1 0 226.320 0.788 20 30 BCEDRO C[C@@H]1CN(C[C@H](O)CC#N)C[C@@H](C2CC2)O1 ZINC000930268465 639672247 /nfs/dbraw/zinc/67/22/47/639672247.db2.gz BJYFVXZBDRHDPT-JLLWLGSASA-N 1 0 224.304 0.760 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)N1CCC[C@@H]([NH3+])C1 ZINC000911624354 639684277 /nfs/dbraw/zinc/68/42/77/639684277.db2.gz RTNASVCOQLTGBU-WOPDTQHZSA-N 1 0 238.331 0.917 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC[C@H](C[NH2+]C)C1 ZINC000911632655 639691056 /nfs/dbraw/zinc/69/10/56/639691056.db2.gz AXZFZGYWQQQLLB-ZYHUDNBSSA-N 1 0 226.320 0.381 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNc1cnc(C#N)cn1 ZINC000712571293 711473303 /nfs/dbraw/zinc/47/33/03/711473303.db2.gz WKJHZGMUANUJAX-VIFPVBQESA-N 1 0 203.249 0.464 20 30 BCEDRO COc1cc(C#N)ccc1C(=O)N1CC[NH2+]CC1 ZINC000911647072 639699990 /nfs/dbraw/zinc/69/99/90/639699990.db2.gz ODLRWDLOVBLYHF-UHFFFAOYSA-N 1 0 245.282 0.612 20 30 BCEDRO N#Cc1cscc1C(=O)NCCC[NH3+] ZINC000911647380 639702631 /nfs/dbraw/zinc/70/26/31/639702631.db2.gz ARKOCIQIPYAFKY-UHFFFAOYSA-N 1 0 209.274 0.698 20 30 BCEDRO CCN(Cc1cncc(C#N)c1)[C@@H]1CCNC1=O ZINC000930322833 639705476 /nfs/dbraw/zinc/70/54/76/639705476.db2.gz DBVWKJSGJZFAQW-GFCCVEGCSA-N 1 0 244.298 0.664 20 30 BCEDRO CO[C@H]1CCCC[C@@H]1[NH2+]C[C@H](O)CC#N ZINC000930325388 639705883 /nfs/dbraw/zinc/70/58/83/639705883.db2.gz RJRKVICBLRLFNF-VWYCJHECSA-N 1 0 212.293 0.808 20 30 BCEDRO N#Cc1ccc(C(=O)N2CC[NH2+]CC2)c(F)c1 ZINC000911649997 639707596 /nfs/dbraw/zinc/70/75/96/639707596.db2.gz ZMHGFFPJKTUZEU-UHFFFAOYSA-N 1 0 233.246 0.743 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC1([NH3+])CCCCC1 ZINC000911651191 639707992 /nfs/dbraw/zinc/70/79/92/639707992.db2.gz COOIDCZPFZRYSF-NSHDSACASA-N 1 0 226.320 0.701 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@H]([NH3+])C2)CCSCC1 ZINC000911652741 639710663 /nfs/dbraw/zinc/71/06/63/639710663.db2.gz XLOMWIHWSGWYTO-SECBINFHSA-N 1 0 239.344 0.583 20 30 BCEDRO CC[N@@H+]1CCN(C[C@H](O)CC#N)[C@H](C)C1 ZINC000930451993 639755320 /nfs/dbraw/zinc/75/53/20/639755320.db2.gz JNCDPKUXSLRTCB-GHMZBOCLSA-N 1 0 211.309 0.287 20 30 BCEDRO C[C@@H]1C[C@@H]([NH+]2CCCC2)CN1C[C@H](O)CC#N ZINC000930458733 639761490 /nfs/dbraw/zinc/76/14/90/639761490.db2.gz XNLIEEMNACJRQH-JHJVBQTASA-N 1 0 237.347 0.820 20 30 BCEDRO C#CC[N@H+](Cc1ccccc1)C[C@H](O)CO ZINC000930475400 639771908 /nfs/dbraw/zinc/77/19/08/639771908.db2.gz FXBVGHLJLCWTKP-ZDUSSCGKSA-N 1 0 219.284 0.475 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)CC1CCC(C#N)CC1 ZINC000930510215 639791520 /nfs/dbraw/zinc/79/15/20/639791520.db2.gz PSOPSLXVIAFBSB-PNESKVBLSA-N 1 0 240.347 0.991 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000911767655 639793974 /nfs/dbraw/zinc/79/39/74/639793974.db2.gz MLJCOPFMFHLOOM-ONGXEEELSA-N 1 0 212.293 0.039 20 30 BCEDRO COc1cc(C#N)ccc1C(=O)N(C)[C@H](C)C[NH3+] ZINC000911813784 639802585 /nfs/dbraw/zinc/80/25/85/639802585.db2.gz ONFOCCDBFSENMT-SECBINFHSA-N 1 0 247.298 0.986 20 30 BCEDRO CC[N@H+](C[C@@H](C)OC)C[C@H](O)CC#N ZINC000930541161 639807902 /nfs/dbraw/zinc/80/79/02/639807902.db2.gz VFBOJAVGMDMLSW-NXEZZACHSA-N 1 0 200.282 0.618 20 30 BCEDRO CC(C)[C@]1(CO)CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000930584294 639814677 /nfs/dbraw/zinc/81/46/77/639814677.db2.gz JQNFANHDUXWEFZ-CHWSQXEVSA-N 1 0 240.347 0.991 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000930600847 639816887 /nfs/dbraw/zinc/81/68/87/639816887.db2.gz OAEIEIDOOYBODX-MNOVXSKESA-N 1 0 211.305 0.654 20 30 BCEDRO CC[C@H]1[C@@H](CO)CC[N@@H+]1C[C@H](O)CC#N ZINC000930606891 639818846 /nfs/dbraw/zinc/81/88/46/639818846.db2.gz IZPCZJWKNODHFS-MXWKQRLJSA-N 1 0 212.293 0.354 20 30 BCEDRO C[C@@H]([N@H+](C)C[C@H](O)CC#N)C(C)(C)O ZINC000930614047 639823331 /nfs/dbraw/zinc/82/33/31/639823331.db2.gz SLANFDLFJLKEAV-RKDXNWHRSA-N 1 0 200.282 0.352 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H](C[NH3+])C1CCCCC1 ZINC000911822726 639836233 /nfs/dbraw/zinc/83/62/33/639836233.db2.gz ZBMKLDYFIRPBQI-AAEUAGOBSA-N 1 0 240.347 0.947 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+]1C[C@@H](C)N(CCO)[C@@H](C)C1 ZINC000930644952 639841628 /nfs/dbraw/zinc/84/16/28/639841628.db2.gz HWPOQLVXGWUOBZ-FRRDWIJNSA-N 1 0 242.363 0.310 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CC[C@@H](CCCO)C1 ZINC000930675940 639858904 /nfs/dbraw/zinc/85/89/04/639858904.db2.gz MWHVBEFMQXKAPV-GHMZBOCLSA-N 1 0 212.293 0.355 20 30 BCEDRO CO[C@H]1C[C@@H]([NH2+]C[C@H](O)CC#N)C12CCC2 ZINC000930700917 639863810 /nfs/dbraw/zinc/86/38/10/639863810.db2.gz XTRNYNGBRVWULS-MXWKQRLJSA-N 1 0 224.304 0.808 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)C[C@@]1(O)CCOC1 ZINC000930693417 639865199 /nfs/dbraw/zinc/86/51/99/639865199.db2.gz NHNXSYPROXAKSV-UTUOFQBUSA-N 1 0 242.319 0.171 20 30 BCEDRO C=CCNC(=O)C(F)(F)C1CC[NH2+]CC1 ZINC000911928713 639875441 /nfs/dbraw/zinc/87/54/41/639875441.db2.gz PJDGFPWCRPDLCB-UHFFFAOYSA-N 1 0 218.247 0.924 20 30 BCEDRO CN(C)C(=O)[C@@H]1CC[N@H+](C[C@@H](C#N)CCC#N)C1 ZINC000930715554 639875973 /nfs/dbraw/zinc/87/59/73/639875973.db2.gz JAGVCGDEZITYLJ-VXGBXAGGSA-N 1 0 248.330 0.840 20 30 BCEDRO C=CCN(CC=C)C(=O)C[C@]1(O)CCC[NH2+]C1 ZINC000911919139 639877651 /nfs/dbraw/zinc/87/76/51/639877651.db2.gz KEOSPFPRBPMWMI-CYBMUJFWSA-N 1 0 238.331 0.692 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)NCCCOC ZINC000911923464 639881539 /nfs/dbraw/zinc/88/15/39/639881539.db2.gz MNVGUCUDTBFMKX-SNVBAGLBSA-N 1 0 214.309 0.823 20 30 BCEDRO CC(C)[N@H+](C[C@H](O)CC#N)C[C@H]1CCC(=O)N1 ZINC000930740819 639890888 /nfs/dbraw/zinc/89/08/88/639890888.db2.gz VZVALLJDYXHSTD-GHMZBOCLSA-N 1 0 239.319 0.250 20 30 BCEDRO C=CCCC(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911936684 639897549 /nfs/dbraw/zinc/89/75/49/639897549.db2.gz MALZVVDZQXCESN-UHFFFAOYSA-N 1 0 240.347 0.868 20 30 BCEDRO C[C@H](c1cccc(C#N)c1)[N@H+](C)C[C@@H](O)CO ZINC000930763996 639904179 /nfs/dbraw/zinc/90/41/79/639904179.db2.gz IKXPYOBWPFELIB-ZWNOBZJWSA-N 1 0 234.299 0.904 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@H]2CCN(OC)C2=O)C1 ZINC000930816470 639920087 /nfs/dbraw/zinc/92/00/87/639920087.db2.gz LZQQTFQJUHNLHP-NEPJUHHUSA-N 1 0 236.315 0.884 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CCO[C@H]2CCOC2)C1 ZINC000930818828 639923285 /nfs/dbraw/zinc/92/32/85/639923285.db2.gz PFGVSMOFDLKODQ-NWDGAFQWSA-N 1 0 240.303 0.142 20 30 BCEDRO CCOCCOCC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000930819164 639923319 /nfs/dbraw/zinc/92/33/19/639923319.db2.gz SWFVPTCVEUICTQ-GFCCVEGCSA-N 1 0 242.319 0.390 20 30 BCEDRO C#CC1CC[NH+](C[C@H](O)C2(O)CCCC2)CC1 ZINC000930820718 639923631 /nfs/dbraw/zinc/92/36/31/639923631.db2.gz FUCYEYLYNAGSCL-ZDUSSCGKSA-N 1 0 237.343 0.998 20 30 BCEDRO CC[C@H](CO)[N@H+]1C[C@@H](C)N(CC#N)[C@@H](C)C1 ZINC000930828333 639930334 /nfs/dbraw/zinc/93/03/34/639930334.db2.gz JUZABARFYPWSKD-GRYCIOLGSA-N 1 0 225.336 0.675 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NCC(=O)NCCC ZINC000912078670 639946818 /nfs/dbraw/zinc/94/68/18/639946818.db2.gz XBPYLJGTMBLQRE-JTQLQIEISA-N 1 0 241.335 0.312 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C[C@@H](C)O)C1CC1 ZINC000912073000 639947209 /nfs/dbraw/zinc/94/72/09/639947209.db2.gz RPCTZVCKNDVILO-LLVKDONJSA-N 1 0 240.347 0.866 20 30 BCEDRO C#CCC[N@@H+]1[C@H](C)CC[C@@H](C(N)=O)[C@H]1C ZINC000930914053 639984026 /nfs/dbraw/zinc/98/40/26/639984026.db2.gz ZCBVEVZUSXMLFL-GMTAPVOTSA-N 1 0 208.305 0.984 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)N1CCO[C@H](C)C1 ZINC000912168733 639987058 /nfs/dbraw/zinc/98/70/58/639987058.db2.gz LEYRVKDZKAAHEZ-GHMZBOCLSA-N 1 0 226.320 0.917 20 30 BCEDRO C#CCN(CCc1nnc(C)o1)C1CSC1 ZINC000930960811 639997334 /nfs/dbraw/zinc/99/73/34/639997334.db2.gz RHYCPORBYNQGSS-UHFFFAOYSA-N 1 0 237.328 0.971 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)NCCOCC ZINC000912262380 640006613 /nfs/dbraw/zinc/00/66/13/640006613.db2.gz SDZWFBIFSFODCS-JTQLQIEISA-N 1 0 214.309 0.823 20 30 BCEDRO N#Cc1cc(NC[C@@H]2CSCC[NH2+]2)ccn1 ZINC000912321804 640029716 /nfs/dbraw/zinc/02/97/16/640029716.db2.gz QPCHNMVDQKVYSC-LLVKDONJSA-N 1 0 234.328 0.492 20 30 BCEDRO C=CCCNC(=O)[C@]1(C)C[C@H](O)C[N@H+]1C ZINC000912378493 640033288 /nfs/dbraw/zinc/03/32/88/640033288.db2.gz HHAQNAIFVVBPTL-ONGXEEELSA-N 1 0 212.293 0.134 20 30 BCEDRO C#CCN(C(=O)C(=C)C[NH+](C)C)C1CSC1 ZINC000912365387 640041543 /nfs/dbraw/zinc/04/15/43/640041543.db2.gz NBRQFFQXMPNWNI-UHFFFAOYSA-N 1 0 238.356 0.681 20 30 BCEDRO C#CCNC(=O)[C@H](C)N1CC[C@H]([NH+](C)C)[C@@H]1C ZINC000931046490 640041768 /nfs/dbraw/zinc/04/17/68/640041768.db2.gz BMTJZFUGACHKEW-SRVKXCTJSA-N 1 0 237.347 0.149 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912374402 640044017 /nfs/dbraw/zinc/04/40/17/640044017.db2.gz NNLWYCMGFILXNP-JQWIXIFHSA-N 1 0 224.304 0.134 20 30 BCEDRO CC#CC(=O)N[C@]1(C)C[NH+]2CCC1CC2 ZINC000912375637 640046924 /nfs/dbraw/zinc/04/69/24/640046924.db2.gz IRZMPUIPZHJJKZ-GFCCVEGCSA-N 1 0 206.289 0.610 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](C)C1(CO)CC1 ZINC000912397146 640051233 /nfs/dbraw/zinc/05/12/33/640051233.db2.gz CEPVCZCWYOATDL-LLVKDONJSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC(CC#N)C1 ZINC000912398713 640052856 /nfs/dbraw/zinc/05/28/56/640052856.db2.gz NHGXOPXTBRGAKA-UHFFFAOYSA-N 1 0 221.304 0.866 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000931066134 640054680 /nfs/dbraw/zinc/05/46/80/640054680.db2.gz AIXIMNRDZQNJJF-SFYZADRCSA-N 1 0 227.226 0.826 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@H](O)CC#N ZINC000931070518 640058969 /nfs/dbraw/zinc/05/89/69/640058969.db2.gz GJQZDPDOLNOTRZ-LLVKDONJSA-N 1 0 210.277 0.233 20 30 BCEDRO C=C1CN(C(=O)c2ccnn2CC[NH+](C)C)C1 ZINC000912445339 640076477 /nfs/dbraw/zinc/07/64/77/640076477.db2.gz KEZICOBYSKKUCX-UHFFFAOYSA-N 1 0 234.303 0.457 20 30 BCEDRO C=C1CN(C(=O)c2cnn(CC[NH+](C)C)c2)C1 ZINC000912445526 640076509 /nfs/dbraw/zinc/07/65/09/640076509.db2.gz LTLPMOWZVVWLLA-UHFFFAOYSA-N 1 0 234.303 0.457 20 30 BCEDRO C=CC[N@H+]1CCCC[C@@H]1CS(N)(=O)=O ZINC000931226347 640106457 /nfs/dbraw/zinc/10/64/57/640106457.db2.gz QGPSZVDIOJRDOL-SECBINFHSA-N 1 0 218.322 0.315 20 30 BCEDRO C#CC1(O)CC[NH+](CCc2cncn2C)CC1 ZINC000931149489 640079111 /nfs/dbraw/zinc/07/91/11/640079111.db2.gz KLKNBGQFQNRVLR-UHFFFAOYSA-N 1 0 233.315 0.423 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000931149632 640079334 /nfs/dbraw/zinc/07/93/34/640079334.db2.gz OGNNYGWOFLEIFZ-NSHDSACASA-N 1 0 209.289 0.217 20 30 BCEDRO C#CC1(O)CC[NH+](Cc2ccc(N)nc2)CC1 ZINC000931153117 640080101 /nfs/dbraw/zinc/08/01/01/640080101.db2.gz CCWPMMNNPVCIEV-UHFFFAOYSA-N 1 0 231.299 0.624 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@H](C)C(=O)OC ZINC000912453210 640082390 /nfs/dbraw/zinc/08/23/90/640082390.db2.gz ZRLBPFPMUATZAA-RKDXNWHRSA-N 1 0 228.292 0.348 20 30 BCEDRO CNC(=O)CCNC(NC(C)(C)C)=[NH+]C ZINC000912496746 640086904 /nfs/dbraw/zinc/08/69/04/640086904.db2.gz DZTUUPQPWRUACZ-UHFFFAOYSA-N 1 0 214.313 0.086 20 30 BCEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@H]1[NH2+]C[C@H](O)CC#N ZINC000931258909 640119873 /nfs/dbraw/zinc/11/98/73/640119873.db2.gz MNWZAVLEYCBSSO-FBDQPXRJSA-N 1 0 212.293 0.662 20 30 BCEDRO C[NH+]=C(NCc1ncn(C)n1)NC(C)(C)C ZINC000912497643 640095068 /nfs/dbraw/zinc/09/50/68/640095068.db2.gz XGXFJNRDWYIAEZ-UHFFFAOYSA-N 1 0 224.312 0.279 20 30 BCEDRO CC[NH+]=C(NCCCC(=O)NC)NC(C)(C)C ZINC000912499680 640096826 /nfs/dbraw/zinc/09/68/26/640096826.db2.gz XZHCWVZUMNAUKN-UHFFFAOYSA-N 1 0 242.367 0.866 20 30 BCEDRO C#CCNC(NC(C)(C)C)=[NH+]CCOC ZINC000912506351 640100667 /nfs/dbraw/zinc/10/06/67/640100667.db2.gz MUFSXTUAUVAJSA-UHFFFAOYSA-N 1 0 211.309 0.600 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@]2(O)C[C@H]2C1 ZINC000912513947 640103053 /nfs/dbraw/zinc/10/30/53/640103053.db2.gz YAWAQOFHVZMUCI-WCQYABFASA-N 1 0 238.331 0.478 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912598289 640122535 /nfs/dbraw/zinc/12/25/35/640122535.db2.gz FGRFUPYWMNWMQK-AXFHLTTASA-N 1 0 238.331 0.522 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912598290 640122737 /nfs/dbraw/zinc/12/27/37/640122737.db2.gz FGRFUPYWMNWMQK-DCAQKATOSA-N 1 0 238.331 0.522 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CCn2cncc21 ZINC000912584564 640122958 /nfs/dbraw/zinc/12/29/58/640122958.db2.gz PUWNQFMONBRKIN-NSHDSACASA-N 1 0 248.330 0.952 20 30 BCEDRO CC#CC(=O)N[C@@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912602830 640132246 /nfs/dbraw/zinc/13/22/46/640132246.db2.gz WXAHAFGRCSAHHC-MNOVXSKESA-N 1 0 220.316 0.999 20 30 BCEDRO CC#CC(=O)N[C@H]1C[C@H]([NH+](C)C)C12CCC2 ZINC000912602831 640133429 /nfs/dbraw/zinc/13/34/29/640133429.db2.gz WXAHAFGRCSAHHC-QWRGUYRKSA-N 1 0 220.316 0.999 20 30 BCEDRO C[NH+](C)[C@H]1C[C@H](NC(=O)CC#N)C12CCC2 ZINC000912601077 640133444 /nfs/dbraw/zinc/13/34/44/640133444.db2.gz PALDLVNFJGOIBG-UWVGGRQHSA-N 1 0 221.304 0.889 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2N(C)C ZINC000931279882 640135597 /nfs/dbraw/zinc/13/55/97/640135597.db2.gz RTIWTCWPNYOPTK-WUHRBBMRSA-N 1 0 224.348 0.805 20 30 BCEDRO CC(C)[N@@H+]1CCC[C@@H]1C(=O)N(CC#N)CC#N ZINC000931298256 640141457 /nfs/dbraw/zinc/14/14/57/640141457.db2.gz YOWJXTYJCSIPMD-LLVKDONJSA-N 1 0 234.303 0.735 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1CSC1 ZINC000912630623 640146075 /nfs/dbraw/zinc/14/60/75/640146075.db2.gz PCUSNCNNZPMAOH-UHFFFAOYSA-N 1 0 214.334 0.726 20 30 BCEDRO C[NH+]1C[C@@]2(C)CN(C[C@H](O)CC#N)C[C@]2(C)C1 ZINC000931313827 640150662 /nfs/dbraw/zinc/15/06/62/640150662.db2.gz GLUUBMHWJRTZJA-AGIUHOORSA-N 1 0 237.347 0.535 20 30 BCEDRO CCC#C[C@@H](C)N1CC[N@H+](C)[C@H](CO)C1 ZINC000931403542 640181945 /nfs/dbraw/zinc/18/19/45/640181945.db2.gz MUZGYVGUMWHUGQ-NEPJUHHUSA-N 1 0 210.321 0.397 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1C[C@@H]2CC[N@H+](C)C[C@@H]2C1 ZINC000931436687 640204023 /nfs/dbraw/zinc/20/40/23/640204023.db2.gz KLMKMZAJEGHJOC-TUAOUCFPSA-N 1 0 238.331 0.598 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912871871 640228444 /nfs/dbraw/zinc/22/84/44/640228444.db2.gz FREMIYZAZCODPV-NSHDSACASA-N 1 0 224.304 0.230 20 30 BCEDRO CO[C@@H]1CC[C@@H](C)[N@H+](C[C@H](O)CC#N)C1 ZINC000931475297 640231398 /nfs/dbraw/zinc/23/13/98/640231398.db2.gz RRHCSTPIDYQWRI-GMTAPVOTSA-N 1 0 212.293 0.760 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H](O)[C@@H]2CCCC[C@@H]21 ZINC000931506450 640238069 /nfs/dbraw/zinc/23/80/69/640238069.db2.gz ZNDURYUOPICZBA-NDBYEHHHSA-N 1 0 238.331 0.886 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](O)c1ccncc1 ZINC000913040730 640286853 /nfs/dbraw/zinc/28/68/53/640286853.db2.gz VSAFZYJZAISSMG-GFCCVEGCSA-N 1 0 249.314 0.349 20 30 BCEDRO CC(C)(O)[C@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000931612546 640287397 /nfs/dbraw/zinc/28/73/97/640287397.db2.gz QPSKGKHELPYBJP-WDEREUQCSA-N 1 0 226.320 0.744 20 30 BCEDRO CCC#C[C@@H](C)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931651766 640301795 /nfs/dbraw/zinc/30/17/95/640301795.db2.gz ARTATRNUOKJWTQ-NXEZZACHSA-N 1 0 208.305 0.903 20 30 BCEDRO CCC#C[C@H](C)[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931651769 640302473 /nfs/dbraw/zinc/30/24/73/640302473.db2.gz ARTATRNUOKJWTQ-VHSXEESVSA-N 1 0 208.305 0.903 20 30 BCEDRO C=CC[N@H+]1CCC(OC)(OC)[C@@H](O)C1 ZINC000931641521 640302683 /nfs/dbraw/zinc/30/26/83/640302683.db2.gz YXHGZYQHNGMVDR-VIFPVBQESA-N 1 0 201.266 0.228 20 30 BCEDRO CC1(C)CNC(=O)[C@H]1[NH2+]CCOCCC#N ZINC000931654776 640305226 /nfs/dbraw/zinc/30/52/26/640305226.db2.gz GCGULVPHUOKWIO-SECBINFHSA-N 1 0 225.292 0.031 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000931660606 640307010 /nfs/dbraw/zinc/30/70/10/640307010.db2.gz QCWOWAMRJGWUSO-ZJUUUORDSA-N 1 0 226.320 0.428 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CC[C@H](C1)N2C[C@H](O)CC#N ZINC000931718660 640334052 /nfs/dbraw/zinc/33/40/52/640334052.db2.gz BMRUFDVAQLJGGO-QJPTWQEYSA-N 1 0 223.320 0.429 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](C[C@@H]2CCCS2(=O)=O)C1 ZINC000931715540 640334448 /nfs/dbraw/zinc/33/44/48/640334448.db2.gz XKESSUKLLDTDMP-RYUDHWBXSA-N 1 0 241.356 0.909 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1nc(C)c[nH]1 ZINC000913211610 640336149 /nfs/dbraw/zinc/33/61/49/640336149.db2.gz OGJYKRWJGAZLFJ-UHFFFAOYSA-N 1 0 222.292 0.452 20 30 BCEDRO C[C@@]1(CNC(=[NH2+])NC[C@@H]2CCCO2)CCCO1 ZINC000151191464 640339511 /nfs/dbraw/zinc/33/95/11/640339511.db2.gz NFXZYDAMMSZOEA-JQWIXIFHSA-N 1 0 241.335 0.639 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@@]2(C)C[NH+](C)C[C@]2(C)C1 ZINC000913276644 640347207 /nfs/dbraw/zinc/34/72/07/640347207.db2.gz JYWGKFOPWHKJKM-CYZMBNFOSA-N 1 0 238.331 0.334 20 30 BCEDRO CCOCCCNC(=[NH2+])NC[C@@]1(C)CCCO1 ZINC000151243839 640349025 /nfs/dbraw/zinc/34/90/25/640349025.db2.gz ZJYOMDBJLRSYPM-GFCCVEGCSA-N 1 0 243.351 0.886 20 30 BCEDRO CCOCCCNC(=[NH2+])NC[C@]1(C)CCCO1 ZINC000151243765 640349532 /nfs/dbraw/zinc/34/95/32/640349532.db2.gz ZJYOMDBJLRSYPM-LBPRGKRZSA-N 1 0 243.351 0.886 20 30 BCEDRO CC[C@@H](CO)[NH2+]CC(=O)N(CC)CCC#N ZINC000931767114 640359065 /nfs/dbraw/zinc/35/90/65/640359065.db2.gz NBIYLJCQUUXWBJ-JTQLQIEISA-N 1 0 227.308 0.109 20 30 BCEDRO CC[C@H](CO)[NH2+]CCC(=O)N(C)CCC#N ZINC000931770550 640362109 /nfs/dbraw/zinc/36/21/09/640362109.db2.gz GFSURCJEDSKARX-SNVBAGLBSA-N 1 0 227.308 0.109 20 30 BCEDRO CC[C@@H](CO)[NH2+]Cc1ccncc1C#N ZINC000931772255 640364817 /nfs/dbraw/zinc/36/48/17/640364817.db2.gz JVSALZMQCNQPFO-NSHDSACASA-N 1 0 205.261 0.814 20 30 BCEDRO COc1cccc(C(=O)NCC#CC[NH+](C)C)n1 ZINC000913519951 640381463 /nfs/dbraw/zinc/38/14/63/640381463.db2.gz WGAFSSSAICTUOI-UHFFFAOYSA-N 1 0 247.298 0.385 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@H](O)C(C)(C)C ZINC000913520155 640381475 /nfs/dbraw/zinc/38/14/75/640381475.db2.gz FYUKDIRSHCFWGR-JTQLQIEISA-N 1 0 226.320 0.075 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C(C)(Cl)Cl ZINC000913520582 640381801 /nfs/dbraw/zinc/38/18/01/640381801.db2.gz UCVFCPBBOGYWME-UHFFFAOYSA-N 1 0 237.130 0.861 20 30 BCEDRO CCc1cccnc1C(=O)NCC#CC[NH+](C)C ZINC000913520222 640381845 /nfs/dbraw/zinc/38/18/45/640381845.db2.gz IVBFCIRCYCVDKF-UHFFFAOYSA-N 1 0 245.326 0.939 20 30 BCEDRO Cc1cc(=O)[nH]cc1C(=O)NCC#CC[NH+](C)C ZINC000913519873 640382020 /nfs/dbraw/zinc/38/20/20/640382020.db2.gz SACZMTVWWGBFTK-UHFFFAOYSA-N 1 0 247.298 0.390 20 30 BCEDRO CS[C@@H](C)CC(=O)NCC#CC[NH+](C)C ZINC000913520494 640382414 /nfs/dbraw/zinc/38/24/14/640382414.db2.gz RNQNQBNNGYTASB-JTQLQIEISA-N 1 0 228.361 0.809 20 30 BCEDRO COC(=O)CCCC(=O)NCC#CC[NH+](C)C ZINC000913520431 640382679 /nfs/dbraw/zinc/38/26/79/640382679.db2.gz OYSVZXDDYNJGOP-UHFFFAOYSA-N 1 0 240.303 0.011 20 30 BCEDRO C=C[C@@](C)(CC)C(=O)N1CCN(C)[C@@H](CO)C1 ZINC000913544872 640392975 /nfs/dbraw/zinc/39/29/75/640392975.db2.gz OIDONNQZMCXAHF-YPMHNXCESA-N 1 0 240.347 0.724 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932027926 640413450 /nfs/dbraw/zinc/41/34/50/640413450.db2.gz BAUOYQUVRLLALT-ZYHUDNBSSA-N 1 0 222.288 0.830 20 30 BCEDRO N#Cc1ncn(CCC[NH2+]C2CC2)c1C#N ZINC000164678748 640499469 /nfs/dbraw/zinc/49/94/69/640499469.db2.gz HMQOHWVRCJGZOJ-UHFFFAOYSA-N 1 0 215.260 0.769 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H](c1ccccn1)C1CC1 ZINC000932383532 640509887 /nfs/dbraw/zinc/50/98/87/640509887.db2.gz XTHKZPLWVVGBAZ-CYBMUJFWSA-N 1 0 244.298 0.762 20 30 BCEDRO C#CC[N@@H+](CCN1CCOCC1)C(C)C ZINC000932384525 640513747 /nfs/dbraw/zinc/51/37/47/640513747.db2.gz SGYYNJZDSUQCSV-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C#CC[N@@H+](CCCNS(=O)(=O)CC)C(C)C ZINC000932387189 640515803 /nfs/dbraw/zinc/51/58/03/640515803.db2.gz ATLODDSUHSKJKA-UHFFFAOYSA-N 1 0 246.376 0.659 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)C2=CCOCC2)CC1 ZINC000991547755 640538799 /nfs/dbraw/zinc/53/87/99/640538799.db2.gz KYFGJZWXDPLSOQ-UHFFFAOYSA-N 1 0 248.326 0.547 20 30 BCEDRO C[C@@H]1COC[C@H]1[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000932488636 640553531 /nfs/dbraw/zinc/55/35/31/640553531.db2.gz MXKUJEXGDURCNS-OUAUKWLOSA-N 1 0 226.320 0.912 20 30 BCEDRO CCOC(=O)[C@@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000932640374 640594264 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642860740 /nfs/dbraw/zinc/86/07/40/642860740.db2.gz KKYMMKHINDCACT-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2nccnc2N)C1 ZINC001010390135 642861839 /nfs/dbraw/zinc/86/18/39/642861839.db2.gz SBBRHFDKLZOGTD-VIFPVBQESA-N 1 0 247.302 0.049 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cocn2)C1 ZINC001010373656 642863055 /nfs/dbraw/zinc/86/30/55/642863055.db2.gz OCZJSPQAYYHZIH-JTQLQIEISA-N 1 0 233.271 0.502 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2cncn2C)C1 ZINC001031819132 642868628 /nfs/dbraw/zinc/86/86/28/642868628.db2.gz LJYBUOZFAHOUAA-UHFFFAOYSA-N 1 0 246.314 0.105 20 30 BCEDRO C=CCC[NH+]1CC(CNC(=O)c2cncn2C)C1 ZINC001031819986 642869804 /nfs/dbraw/zinc/86/98/04/642869804.db2.gz ADLOPJDAHUKGLT-UHFFFAOYSA-N 1 0 248.330 0.658 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)Cc2cncnc2)C1 ZINC001010801762 642871229 /nfs/dbraw/zinc/87/12/29/642871229.db2.gz SMSBNRUYYHDBJB-LBPRGKRZSA-N 1 0 246.314 0.396 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)Cc2cncnc2)C1 ZINC001010801761 642872017 /nfs/dbraw/zinc/87/20/17/642872017.db2.gz SMSBNRUYYHDBJB-GFCCVEGCSA-N 1 0 246.314 0.396 20 30 BCEDRO CC#CC[N@@H+]1CC[C@@H](NC(=O)[C@H]2CC2(F)F)C1 ZINC001014384906 642889240 /nfs/dbraw/zinc/88/92/40/642889240.db2.gz QYIHGUXPXANQQR-NXEZZACHSA-N 1 0 242.269 0.855 20 30 BCEDRO N#CCOc1ccc(C=NNC(N)=[NH2+])cc1 ZINC000252448070 642889502 /nfs/dbraw/zinc/88/95/02/642889502.db2.gz RPQVWCQMWGSFLX-UHFFFAOYSA-N 1 0 217.232 0.406 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)c2cc[nH]c2)C1 ZINC001014529195 642891862 /nfs/dbraw/zinc/89/18/62/642891862.db2.gz GIAKZSIYQQFGAB-LBPRGKRZSA-N 1 0 231.299 0.842 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2c[nH]nc2C)C1 ZINC001015458945 642900282 /nfs/dbraw/zinc/90/02/82/642900282.db2.gz LVCBUBTUVIALNR-JTQLQIEISA-N 1 0 234.303 0.708 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2[nH]nnc2C)C1 ZINC001015480180 642900434 /nfs/dbraw/zinc/90/04/34/642900434.db2.gz SJBKMGBWBXHYNF-VIFPVBQESA-N 1 0 235.291 0.103 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)c2[nH]nnc2C)C1 ZINC001015487550 642901318 /nfs/dbraw/zinc/90/13/18/642901318.db2.gz MFYLBTKVGGEGTL-SNVBAGLBSA-N 1 0 249.318 0.493 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2C[C@H]2C)C1 ZINC001015523914 642903015 /nfs/dbraw/zinc/90/30/15/642903015.db2.gz QZLBIKIKBVCMED-IJLUTSLNSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CCN1CC[C@H](NC(=O)C[N@H+]2CCC[C@@H]2C)C1 ZINC001015701899 642926844 /nfs/dbraw/zinc/92/68/44/642926844.db2.gz KGFSMZZRZNPAEY-STQMWFEESA-N 1 0 249.358 0.294 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccncn2)C1 ZINC001015874148 642934353 /nfs/dbraw/zinc/93/43/53/642934353.db2.gz SCLKMCBXPKBIAI-SNVBAGLBSA-N 1 0 232.287 0.467 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2cccnn2)C1 ZINC001015886442 642936377 /nfs/dbraw/zinc/93/63/77/642936377.db2.gz IYLMLTKQKWJLDC-JTQLQIEISA-N 1 0 232.287 0.467 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccc(=O)[nH]c2)C1 ZINC001016158508 642946484 /nfs/dbraw/zinc/94/64/84/642946484.db2.gz CUHSHPJXWZXGKE-NSHDSACASA-N 1 0 247.298 0.777 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2ccn(C)n2)C1 ZINC001016250625 642954099 /nfs/dbraw/zinc/95/40/99/642954099.db2.gz PNNMPECLKWNLDX-SNVBAGLBSA-N 1 0 234.303 0.410 20 30 BCEDRO C#CC[NH+]1CCC2(C[C@@H]2NC(=O)C(F)F)CC1 ZINC001016447270 642958769 /nfs/dbraw/zinc/95/87/69/642958769.db2.gz QVNLHIIMEFOYNF-VIFPVBQESA-N 1 0 242.269 0.855 20 30 BCEDRO C=CC1CC[NH+](CN2CC(=O)N(C)C2=O)CC1 ZINC000182279258 642990326 /nfs/dbraw/zinc/99/03/26/642990326.db2.gz LFDGQBMRRJVFNY-UHFFFAOYSA-N 1 0 237.303 0.736 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CCn2cccn2)C1 ZINC001018527738 642997172 /nfs/dbraw/zinc/99/71/72/642997172.db2.gz NXGVNTKHOBMEAJ-LBPRGKRZSA-N 1 0 246.314 0.097 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cn2cccn2)C1 ZINC001018504325 642997300 /nfs/dbraw/zinc/99/73/00/642997300.db2.gz SAQBRGONUWTDFK-NSHDSACASA-N 1 0 234.303 0.260 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cncnc2C)C1 ZINC001018562697 642999875 /nfs/dbraw/zinc/99/98/75/642999875.db2.gz HPMCXJHYNBZQOG-NSHDSACASA-N 1 0 246.314 0.775 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C)nn2C)C1 ZINC001018577195 643000052 /nfs/dbraw/zinc/00/00/52/643000052.db2.gz QONYPYXSJQYOLS-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncoc2C)C1 ZINC001018595823 643000057 /nfs/dbraw/zinc/00/00/57/643000057.db2.gz LPHLDVDQOJQMLY-JTQLQIEISA-N 1 0 233.271 0.420 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@H]2CCCOC2)C1 ZINC001018599997 643000420 /nfs/dbraw/zinc/00/04/20/643000420.db2.gz IUSOTZRJPQMQHU-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn(C)nc2C)C1 ZINC001018630416 643004250 /nfs/dbraw/zinc/00/42/50/643004250.db2.gz KGKQPFUXSUSZOF-NSHDSACASA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cc(C)ncn2)C1 ZINC001018722881 643007727 /nfs/dbraw/zinc/00/77/27/643007727.db2.gz CSFRMDROYWAWEM-NSHDSACASA-N 1 0 246.314 0.775 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnnc(C)c2)C1 ZINC001018769927 643010486 /nfs/dbraw/zinc/01/04/86/643010486.db2.gz AJBZBBZEBZFHRW-LBPRGKRZSA-N 1 0 246.314 0.775 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)CC(C)(C)O)C1 ZINC001018782438 643010638 /nfs/dbraw/zinc/01/06/38/643010638.db2.gz WQUFQONNLDUFJI-NSHDSACASA-N 1 0 240.347 0.914 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccsn2)C1 ZINC001019017822 643016045 /nfs/dbraw/zinc/01/60/45/643016045.db2.gz CIPUWMBVNYRZPM-VIFPVBQESA-N 1 0 235.312 0.580 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cncs2)C1 ZINC001019002594 643016841 /nfs/dbraw/zinc/01/68/41/643016841.db2.gz DNRCSNYCNUAAIW-JTQLQIEISA-N 1 0 249.339 0.509 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccns2)C1 ZINC001018929140 643016963 /nfs/dbraw/zinc/01/69/63/643016963.db2.gz AANIDACSLKEFRG-VIFPVBQESA-N 1 0 235.312 0.580 20 30 BCEDRO CC[C@H](C(=O)N1CC[C@H](NCC#N)C1)[NH+](C)C ZINC001019033230 643020098 /nfs/dbraw/zinc/02/00/98/643020098.db2.gz FNRSDNIICLHJAQ-WDEREUQCSA-N 1 0 238.335 0.041 20 30 BCEDRO C=C[C@](C)(CC)C(=O)N1CC[C@H]([NH2+]CCO)C1 ZINC001019334752 643027495 /nfs/dbraw/zinc/02/74/95/643027495.db2.gz YBJWRIITQLWTBT-WCQYABFASA-N 1 0 240.347 0.772 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2(CF)CC2)C1 ZINC001019358416 643031728 /nfs/dbraw/zinc/03/17/28/643031728.db2.gz CRQHEHMIAUDSCB-JTQLQIEISA-N 1 0 224.279 0.560 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@H]2OCC[C@H]2C)C1 ZINC001019400248 643032168 /nfs/dbraw/zinc/03/21/68/643032168.db2.gz ULHHYASGKGKUJE-WOPDTQHZSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)[C@@]2(C)CCOC2)C1 ZINC001019567755 643038558 /nfs/dbraw/zinc/03/85/58/643038558.db2.gz KXMVPEJUTLQLMV-AAEUAGOBSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncccc2F)C1 ZINC001019562395 643039215 /nfs/dbraw/zinc/03/92/15/643039215.db2.gz ZJZULOLHVZGWRH-JTQLQIEISA-N 1 0 247.273 0.658 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccc[nH]2)C1 ZINC001019983007 643050777 /nfs/dbraw/zinc/05/07/77/643050777.db2.gz HJESROPJGNKFIK-MGCOHNPYSA-N 1 0 217.272 0.498 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2ccnn2C)C1 ZINC001020015256 643052231 /nfs/dbraw/zinc/05/22/31/643052231.db2.gz WJMVIZCXRDQANU-XYPYZODXSA-N 1 0 248.330 0.847 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccncc2F)C1 ZINC001020041200 643054227 /nfs/dbraw/zinc/05/42/27/643054227.db2.gz SPBIAYSVAIBJQL-MGCOHNPYSA-N 1 0 247.273 0.704 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C=C2CCC2)C1 ZINC001020063299 643055621 /nfs/dbraw/zinc/05/56/21/643055621.db2.gz IEHIXNAHYBLDFB-HAQNSBGRSA-N 1 0 218.300 0.967 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ncccc2O)C1 ZINC001020096782 643058451 /nfs/dbraw/zinc/05/84/51/643058451.db2.gz IILKMNVUMKPKFD-MGCOHNPYSA-N 1 0 245.282 0.271 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ncccc2O)C1 ZINC001020096731 643059108 /nfs/dbraw/zinc/05/91/08/643059108.db2.gz GCUQQTXFRYGBBS-MGCOHNPYSA-N 1 0 247.298 0.824 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2nn(C)cc2C)C1 ZINC001020140349 643059935 /nfs/dbraw/zinc/05/99/35/643059935.db2.gz BVDPQRYHCAGNMC-XYPYZODXSA-N 1 0 248.330 0.765 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@]23C[C@H]2COC3)C1 ZINC001020176074 643060201 /nfs/dbraw/zinc/06/02/01/643060201.db2.gz KEUUFWFSUKDRAR-ZPFDUUQYSA-N 1 0 236.315 0.446 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2[N+](=O)[O-])C1 ZINC001020138930 643061049 /nfs/dbraw/zinc/06/10/49/643061049.db2.gz IQLMAANTZUUYIX-ZYUZMQFOSA-N 1 0 239.275 0.074 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@@H](C)CO2)C1 ZINC001020409766 643101815 /nfs/dbraw/zinc/10/18/15/643101815.db2.gz SQKBVTVFHVNHLJ-KKOKHZNYSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2C[C@H](C)CO2)C1 ZINC001020409765 643102099 /nfs/dbraw/zinc/10/20/99/643102099.db2.gz SQKBVTVFHVNHLJ-FIQHERPVSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@H](C)C1 ZINC000941710393 643125369 /nfs/dbraw/zinc/12/53/69/643125369.db2.gz RNPVMRGIOAWPMK-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnco2)C1 ZINC001020447382 643128128 /nfs/dbraw/zinc/12/81/28/643128128.db2.gz WTWKRRVDZHSQOA-KYZUINATSA-N 1 0 221.260 0.711 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cn[nH]c2)C1 ZINC000969342150 643147824 /nfs/dbraw/zinc/14/78/24/643147824.db2.gz ABOQQEQTJFYENR-SECBINFHSA-N 1 0 234.303 0.646 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)c2ccon2)[C@@H](C)C1 ZINC000941851293 643148284 /nfs/dbraw/zinc/14/82/84/643148284.db2.gz SXPMLGKPDHFDCF-WDEREUQCSA-N 1 0 247.298 0.748 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]n2)[C@H](C)C1 ZINC000942216068 643175513 /nfs/dbraw/zinc/17/55/13/643175513.db2.gz IRSXVVJPMIQCOO-ZJUUUORDSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2coc(OC)n2)C1 ZINC000969479629 643178352 /nfs/dbraw/zinc/17/83/52/643178352.db2.gz ADHGZGWTEHSEMS-SECBINFHSA-N 1 0 249.270 0.121 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@H]2C[C@@H]2C)C1 ZINC001020549367 643180830 /nfs/dbraw/zinc/18/08/30/643180830.db2.gz VKXZEYDUVRJWBZ-USZNOCQGSA-N 1 0 220.316 0.903 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)[C@@H]2CC23CC3)C1 ZINC001032005906 643181165 /nfs/dbraw/zinc/18/11/65/643181165.db2.gz SLBYXHRWXDTZCN-LBPRGKRZSA-N 1 0 232.327 0.858 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2C[C@@H]2C)C1 ZINC001020549365 643181343 /nfs/dbraw/zinc/18/13/43/643181343.db2.gz VKXZEYDUVRJWBZ-BJDJZHNGSA-N 1 0 220.316 0.903 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnco2)C1 ZINC000969509946 643184311 /nfs/dbraw/zinc/18/43/11/643184311.db2.gz ZUIQWFDITKTOHG-SECBINFHSA-N 1 0 221.260 0.665 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cncnc2)C1 ZINC000969539172 643188348 /nfs/dbraw/zinc/18/83/48/643188348.db2.gz NEOBYEJXQQKHBA-JTQLQIEISA-N 1 0 246.314 0.713 20 30 BCEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]C[C@H](C)O)C1 ZINC000969585998 643194980 /nfs/dbraw/zinc/19/49/80/643194980.db2.gz DKTZLKYJFWRUHY-WDEREUQCSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](F)CC)C1 ZINC000969595495 643198509 /nfs/dbraw/zinc/19/85/09/643198509.db2.gz AAXWNJHMNYJIFS-NXEZZACHSA-N 1 0 212.268 0.558 20 30 BCEDRO C=C1CC(C)(C(=O)N[C@H]2C[C@H]([NH2+]CCO)C2)C1 ZINC001020563386 643200142 /nfs/dbraw/zinc/20/01/42/643200142.db2.gz FRBSHYSQKIVJTG-XYPYZODXSA-N 1 0 238.331 0.572 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000969682998 643211860 /nfs/dbraw/zinc/21/18/60/643211860.db2.gz WDMXDGMPCFWSCX-LLVKDONJSA-N 1 0 235.287 0.594 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnc(C)n2C)C1 ZINC000969722175 643215571 /nfs/dbraw/zinc/21/55/71/643215571.db2.gz NDMODWFQBZKLPC-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO C#CCCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000187809588 643221101 /nfs/dbraw/zinc/22/11/01/643221101.db2.gz NVNALDPOQZZAPO-GFCCVEGCSA-N 1 0 237.347 0.993 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H](OC)C(C)C)C1 ZINC000969823268 643225032 /nfs/dbraw/zinc/22/50/32/643225032.db2.gz CUUPMQPPYYKIPC-VXGBXAGGSA-N 1 0 238.331 0.481 20 30 BCEDRO [NH2+]=C(NCC1(CO)CCCC1)N1CCOCC1 ZINC000184655752 643227539 /nfs/dbraw/zinc/22/75/39/643227539.db2.gz NVNBPQXBVBVVGS-UHFFFAOYSA-N 1 0 241.335 0.186 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1C[C@H]([NH2+]CC)C1 ZINC001020605778 643233972 /nfs/dbraw/zinc/23/39/72/643233972.db2.gz ZDBSSPNWHUQXMC-KKOKHZNYSA-N 1 0 238.331 0.834 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001020637392 643249436 /nfs/dbraw/zinc/24/94/36/643249436.db2.gz VJFCPJRXGYXADU-MGCOHNPYSA-N 1 0 234.303 0.375 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2nnc[nH]2)[C@@H](C)C1 ZINC000943673127 643253024 /nfs/dbraw/zinc/25/30/24/643253024.db2.gz BDGHDXHNSUOSHL-UWVGGRQHSA-N 1 0 249.318 0.431 20 30 BCEDRO C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2cn[nH]n2)C1 ZINC000970022978 643267779 /nfs/dbraw/zinc/26/77/79/643267779.db2.gz DPQPUSSFORAICU-VIFPVBQESA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2C[C@H]2C2CC2)C1 ZINC001020714529 643276405 /nfs/dbraw/zinc/27/64/05/643276405.db2.gz SECCCZVXQDPLKX-ZDEQEGDKSA-N 1 0 232.327 0.903 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@H]2CC23CC3)C1 ZINC000970085629 643284866 /nfs/dbraw/zinc/28/48/66/643284866.db2.gz LPTUKDGRUDSIDY-GHMZBOCLSA-N 1 0 218.300 0.610 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2oncc2C)C1 ZINC001020868844 643322497 /nfs/dbraw/zinc/32/24/97/643322497.db2.gz RRESKSAAZALMLJ-MGCOHNPYSA-N 1 0 233.271 0.467 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)[C@@H](C)OC)CC1(C)C ZINC000995526624 643325618 /nfs/dbraw/zinc/32/56/18/643325618.db2.gz BQCNPFPTQVCYSL-MNOVXSKESA-N 1 0 238.331 0.481 20 30 BCEDRO C[C@@H](C[NH3+])NS(=O)(=O)c1ccccc1C#N ZINC000082578364 643348210 /nfs/dbraw/zinc/34/82/10/643348210.db2.gz ILIOHANRXHWQIE-QMMMGPOBSA-N 1 0 239.300 0.184 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2nonc2C)C1 ZINC001032224161 643353456 /nfs/dbraw/zinc/35/34/56/643353456.db2.gz VWRJGWDLCISSLO-UHFFFAOYSA-N 1 0 236.275 0.226 20 30 BCEDRO CS(=O)(=O)CC[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185799441 643388803 /nfs/dbraw/zinc/38/88/03/643388803.db2.gz INKHXPKHYCPUMO-UWVGGRQHSA-N 1 0 230.333 0.703 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC000970257850 643406094 /nfs/dbraw/zinc/40/60/94/643406094.db2.gz VCEDIXGEONKEGE-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC000970312589 643411309 /nfs/dbraw/zinc/41/13/09/643411309.db2.gz RHHHKDKQGJTCNN-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(OC)o2)C1 ZINC000970327413 643414969 /nfs/dbraw/zinc/41/49/69/643414969.db2.gz GYWCDJVUELWYPS-SNVBAGLBSA-N 1 0 248.282 0.726 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2nnc[nH]2)C1 ZINC000970445774 643429984 /nfs/dbraw/zinc/42/99/84/643429984.db2.gz LEEINGXYRNDMOP-SNVBAGLBSA-N 1 0 249.318 0.114 20 30 BCEDRO N#CCCNC(=O)C[N@H+]1CCCC[C@H]1CCO ZINC000049801508 643444356 /nfs/dbraw/zinc/44/43/56/643444356.db2.gz IDASWGABGLOXEU-NSHDSACASA-N 1 0 239.319 0.253 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(COC)CC1 ZINC000083442742 643452566 /nfs/dbraw/zinc/45/25/66/643452566.db2.gz QRQQBBHEUQQUQA-UHFFFAOYSA-N 1 0 224.304 0.094 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(C)C)C1 ZINC000970546518 643460800 /nfs/dbraw/zinc/46/08/00/643460800.db2.gz PZBMNXZYWWAQKY-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@]23C[C@H]2COC3)CC1 ZINC000996603496 643483169 /nfs/dbraw/zinc/48/31/69/643483169.db2.gz NRWVJBWDHYYMFW-FZMZJTMJSA-N 1 0 248.326 0.237 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)c2cnon2)C1 ZINC000970620914 643486525 /nfs/dbraw/zinc/48/65/25/643486525.db2.gz YLBMSJKNNHVYGG-QMMMGPOBSA-N 1 0 236.275 0.306 20 30 BCEDRO CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H](C)C#N ZINC001032312078 643489818 /nfs/dbraw/zinc/48/98/18/643489818.db2.gz CMRQUPHFRBTZIF-VWYCJHECSA-N 1 0 221.304 0.841 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2C)C1 ZINC000970721312 643516292 /nfs/dbraw/zinc/51/62/92/643516292.db2.gz IXBZYZZUZKXVBQ-GFCCVEGCSA-N 1 0 248.330 0.568 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)Cc2cnc[nH]2)CC1 ZINC000997052382 643575777 /nfs/dbraw/zinc/57/57/77/643575777.db2.gz FWNJGCPEKGETEI-UHFFFAOYSA-N 1 0 248.330 0.719 20 30 BCEDRO CNC(NCCOCCC(C)C)=[NH+]C ZINC000303268705 643580390 /nfs/dbraw/zinc/58/03/90/643580390.db2.gz ZFJLIKLNVUKFDI-UHFFFAOYSA-N 1 0 201.314 0.844 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2cccnn2)CC1 ZINC000997112937 643581319 /nfs/dbraw/zinc/58/13/19/643581319.db2.gz FRUYWOLBRGKCOR-UHFFFAOYSA-N 1 0 246.314 0.857 20 30 BCEDRO CC(C)NC(=[NH2+])NCCNC(=O)C(C)C ZINC000303790562 643585073 /nfs/dbraw/zinc/58/50/73/643585073.db2.gz WKYUFPQCNWYYPJ-UHFFFAOYSA-N 1 0 214.313 0.071 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2nocc2C)CC1 ZINC000997151756 643598884 /nfs/dbraw/zinc/59/88/84/643598884.db2.gz IRFHTOBIFGZMFB-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)C(F)F)C1 ZINC000970924428 643620037 /nfs/dbraw/zinc/62/00/37/643620037.db2.gz PGCSOWMAVGKAAK-MRVPVSSYSA-N 1 0 218.247 0.970 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)Cn2ccnc2)CC1 ZINC000997412522 643622067 /nfs/dbraw/zinc/62/20/67/643622067.db2.gz BFEWFDNIYPKEOK-UHFFFAOYSA-N 1 0 246.314 0.097 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000970961005 643637093 /nfs/dbraw/zinc/63/70/93/643637093.db2.gz XONBVIZKZWIMJC-CYBMUJFWSA-N 1 0 243.310 0.861 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCC2(CO)COC2)C1 ZINC000160580673 643687941 /nfs/dbraw/zinc/68/79/41/643687941.db2.gz SRJRUYOFRIRRDI-SNVBAGLBSA-N 1 0 241.335 0.042 20 30 BCEDRO Cc1cccc(NC(=[NH2+])NCC2(CO)COC2)c1 ZINC000160579665 643689021 /nfs/dbraw/zinc/68/90/21/643689021.db2.gz XMSLSNHRWQZEOF-UHFFFAOYSA-N 1 0 249.314 0.731 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCC2(CO)COC2)C1 ZINC000160580796 643689078 /nfs/dbraw/zinc/68/90/78/643689078.db2.gz SRJRUYOFRIRRDI-JTQLQIEISA-N 1 0 241.335 0.042 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC000971062018 643692502 /nfs/dbraw/zinc/69/25/02/643692502.db2.gz VBVFHGVYFKDHDJ-NSHDSACASA-N 1 0 247.298 0.763 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCO2)C1 ZINC000998416372 643705496 /nfs/dbraw/zinc/70/54/96/643705496.db2.gz KOTBQMPOKCIVAM-MCIGGMRASA-N 1 0 236.315 0.378 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)[C@@H]2CCCO2)C1 ZINC000998419202 643705862 /nfs/dbraw/zinc/70/58/62/643705862.db2.gz ZMWDHZJYVJDMOG-MCIGGMRASA-N 1 0 238.331 0.930 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cc(C)on2)C1 ZINC000998462504 643707642 /nfs/dbraw/zinc/70/76/42/643707642.db2.gz RQQXYCMEZFQACX-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)CSC)C1 ZINC000998477608 643708556 /nfs/dbraw/zinc/70/85/56/643708556.db2.gz IYIVYBYEOSMJON-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cccn2C)C1 ZINC000998469170 643709277 /nfs/dbraw/zinc/70/92/77/643709277.db2.gz ZVQLAFLIOWXDPE-UHFFFAOYSA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ccc[nH]2)C1 ZINC000998513570 643709897 /nfs/dbraw/zinc/70/98/97/643709897.db2.gz STVRIUURQWBFSM-NSHDSACASA-N 1 0 231.299 0.842 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cn2cccn2)C1 ZINC000998527856 643710093 /nfs/dbraw/zinc/71/00/93/643710093.db2.gz VVNUPEARMDYNNL-LBPRGKRZSA-N 1 0 246.314 0.097 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cc(C)no2)C1 ZINC000998528270 643710772 /nfs/dbraw/zinc/71/07/72/643710772.db2.gz LBXAVZFVJNZQHB-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)[C@H]2CCOC2)C1 ZINC000998518583 643710836 /nfs/dbraw/zinc/71/08/36/643710836.db2.gz MIQWNYBWROGRCB-UNXYVOJBSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cccn2C)C1 ZINC000998551251 643713087 /nfs/dbraw/zinc/71/30/87/643713087.db2.gz FQTIYKUDRANNFG-LBPRGKRZSA-N 1 0 245.326 0.853 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000998647250 643715455 /nfs/dbraw/zinc/71/54/55/643715455.db2.gz KVEVSIOBRWHOHI-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cscn2)C1 ZINC000998703102 643718553 /nfs/dbraw/zinc/71/85/53/643718553.db2.gz GYKVUTRNJMPEGG-SNVBAGLBSA-N 1 0 249.339 0.971 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC000998722858 643719524 /nfs/dbraw/zinc/71/95/24/643719524.db2.gz PRFCBFPFHCIKTM-ZDUSSCGKSA-N 1 0 248.326 0.895 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000998725255 643719613 /nfs/dbraw/zinc/71/96/13/643719613.db2.gz VTFDYXBLEPSQER-CHWSQXEVSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2cocn2)C1 ZINC000998728486 643719822 /nfs/dbraw/zinc/71/98/22/643719822.db2.gz BZRWISGSSQSGOV-SNVBAGLBSA-N 1 0 233.271 0.502 20 30 BCEDRO CC[NH2+][C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC000998752875 643721454 /nfs/dbraw/zinc/72/14/54/643721454.db2.gz KSQZVBRIWDWPBU-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC000998791945 643723497 /nfs/dbraw/zinc/72/34/97/643723497.db2.gz MTHTYLZCQUJBKY-GFCCVEGCSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)Cn2nccn2)C1 ZINC000999255280 643733319 /nfs/dbraw/zinc/73/33/19/643733319.db2.gz DFFBFBNJMMJFJH-LLVKDONJSA-N 1 0 249.318 0.045 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cccnn2)C1 ZINC000999596487 643738525 /nfs/dbraw/zinc/73/85/25/643738525.db2.gz XKDHUYRVRWXVPU-UHFFFAOYSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2cnco2)C1 ZINC000999830184 643742385 /nfs/dbraw/zinc/74/23/85/643742385.db2.gz ITSRIOZGPBXPBW-JTQLQIEISA-N 1 0 233.271 0.502 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)Cc2cnoc2)C1 ZINC000999981815 643744958 /nfs/dbraw/zinc/74/49/58/643744958.db2.gz YIXUCOHTLSOXQU-LBPRGKRZSA-N 1 0 247.298 0.431 20 30 BCEDRO C#CCC[NH2+]Cc1c2c(nn1C)CCOC2 ZINC000921740709 643768109 /nfs/dbraw/zinc/76/81/09/643768109.db2.gz AJMCQXZLIZZUIA-UHFFFAOYSA-N 1 0 219.288 0.606 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2ccnnc2)C1 ZINC001000292678 643771752 /nfs/dbraw/zinc/77/17/52/643771752.db2.gz YDLYEZPPYNNPPP-GFCCVEGCSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)Cc2cnc[nH]2)C1 ZINC001000315853 643775557 /nfs/dbraw/zinc/77/55/57/643775557.db2.gz DJEQOTOJSQDLET-LLVKDONJSA-N 1 0 246.314 0.166 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ccncn2)C1 ZINC001000478318 643783695 /nfs/dbraw/zinc/78/36/95/643783695.db2.gz DINUYLMCTMLMCU-NSHDSACASA-N 1 0 244.298 0.304 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2ccncn2)C1 ZINC001000481675 643783971 /nfs/dbraw/zinc/78/39/71/643783971.db2.gz YOFZALJXBXEADT-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[N@H+]1CC=C(CNC(=O)c2cn[nH]c2)CC1 ZINC001000470592 643785522 /nfs/dbraw/zinc/78/55/22/643785522.db2.gz MRNNUOMKHRPHDF-UHFFFAOYSA-N 1 0 244.298 0.405 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)c2cccnn2)C1 ZINC001000514094 643787029 /nfs/dbraw/zinc/78/70/29/643787029.db2.gz ITLZZKPOEKMWHS-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2nocc2C)C1 ZINC001000636070 643794162 /nfs/dbraw/zinc/79/41/62/643794162.db2.gz UGAAVQDDKHUGFQ-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C=CC[NH+]1CCC(CNC(=O)c2cn[nH]n2)CC1 ZINC001001581098 643807425 /nfs/dbraw/zinc/80/74/25/643807425.db2.gz UIGAETUQKYXJML-UHFFFAOYSA-N 1 0 249.318 0.433 20 30 BCEDRO C=CCOCCNC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000921869625 643812625 /nfs/dbraw/zinc/81/26/25/643812625.db2.gz DHNAOIBAULFNCL-QWRGUYRKSA-N 1 0 241.335 0.581 20 30 BCEDRO C[C@H](C#N)CNC(=O)NCC1([NH+](C)C)CC1 ZINC000921879350 643815218 /nfs/dbraw/zinc/81/52/18/643815218.db2.gz CDEYTDYWHSOOKN-SECBINFHSA-N 1 0 224.308 0.539 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)NC[C@@H](C)C#N)CC1 ZINC000921880406 643815220 /nfs/dbraw/zinc/81/52/20/643815220.db2.gz JQPQVHPXVYGEHY-NSHDSACASA-N 1 0 248.330 0.543 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000921881720 643816399 /nfs/dbraw/zinc/81/63/99/643816399.db2.gz UTIUHDGLSZDQJY-IUCAKERBSA-N 1 0 210.281 0.149 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000921881758 643816693 /nfs/dbraw/zinc/81/66/93/643816693.db2.gz VLRFGSNPYUVSKX-KXUCPTDWSA-N 1 0 224.308 0.538 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C1CCN(OC)CC1 ZINC000320744327 643825586 /nfs/dbraw/zinc/82/55/86/643825586.db2.gz MOTREWSNAJWNKI-GFCCVEGCSA-N 1 0 228.336 0.929 20 30 BCEDRO N#Cc1cc(C[NH2+]CC2(CO)COC2)cs1 ZINC000921918938 643825777 /nfs/dbraw/zinc/82/57/77/643825777.db2.gz GTWWUOQKOOZCJL-UHFFFAOYSA-N 1 0 238.312 0.718 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)Cc2cc[nH]n2)CC1 ZINC001002505503 643829364 /nfs/dbraw/zinc/82/93/64/643829364.db2.gz QUMDJPLGWYWSPK-UHFFFAOYSA-N 1 0 246.314 0.166 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1c2c(nn1C)CCC2 ZINC000921972743 643835682 /nfs/dbraw/zinc/83/56/82/643835682.db2.gz HZZNJQHQQKWZRX-UHFFFAOYSA-N 1 0 248.330 0.301 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCC([NH+](C)C)CC1 ZINC000929259693 643844601 /nfs/dbraw/zinc/84/46/01/643844601.db2.gz KEJNDPUDRCQQPO-GFCCVEGCSA-N 1 0 212.337 0.949 20 30 BCEDRO N#Cc1cc(C[NH2+]C[C@H](O)CO)cs1 ZINC000922075368 643858899 /nfs/dbraw/zinc/85/88/99/643858899.db2.gz BEAOWXKPKHBGRY-QMMMGPOBSA-N 1 0 212.274 0.063 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnn(CCF)c1 ZINC000922140983 643871325 /nfs/dbraw/zinc/87/13/25/643871325.db2.gz OALYRFMLQSJPRR-LLVKDONJSA-N 1 0 225.267 0.326 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC(C)([NH+]2CCC2)CC1 ZINC000922168950 643889584 /nfs/dbraw/zinc/88/95/84/643889584.db2.gz DPLXXGLTIZTDMA-LLVKDONJSA-N 1 0 238.331 0.620 20 30 BCEDRO CN(C)c1cc[nH+]c(CNC(=O)NCCC#N)c1 ZINC000922228765 643910064 /nfs/dbraw/zinc/91/00/64/643910064.db2.gz MZHFQYUFLKPYEE-UHFFFAOYSA-N 1 0 247.302 0.860 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1cccc(F)c1 ZINC000086156707 643933135 /nfs/dbraw/zinc/93/31/35/643933135.db2.gz NDYVBMUOJWKPIN-UHFFFAOYSA-N 1 0 220.247 0.665 20 30 BCEDRO C#CC[NH2+]CC(=O)NCc1ccc(C)s1 ZINC000086157205 643935322 /nfs/dbraw/zinc/93/53/22/643935322.db2.gz GZZNYVXVVCCILC-UHFFFAOYSA-N 1 0 222.313 0.896 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CC=C[C@H]2CO)CC1 ZINC000922268981 643938510 /nfs/dbraw/zinc/93/85/10/643938510.db2.gz ZPBBSHVWNJSEEX-ZDUSSCGKSA-N 1 0 248.326 0.091 20 30 BCEDRO CC#CC[NH+]1CCC(NC(=O)c2cnon2)CC1 ZINC001003817803 643949029 /nfs/dbraw/zinc/94/90/29/643949029.db2.gz SADVARVAFQMNMN-UHFFFAOYSA-N 1 0 248.286 0.287 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC=C[C@H]1CO ZINC000922283993 643953091 /nfs/dbraw/zinc/95/30/91/643953091.db2.gz FUUYLDBLFXCZST-NSHDSACASA-N 1 0 224.304 0.254 20 30 BCEDRO CCOCCCNC(=[NH2+])N[C@H]1C[C@@H](O)C1(C)C ZINC000186873598 644150417 /nfs/dbraw/zinc/15/04/17/644150417.db2.gz GTGVQZRYVBLIRW-VHSXEESVSA-N 1 0 243.351 0.477 20 30 BCEDRO C#CCNC(=O)N1CCN(c2cc[nH+]cc2)CC1 ZINC000074017063 644157494 /nfs/dbraw/zinc/15/74/94/644157494.db2.gz RQCCBRYRFBIYPS-UHFFFAOYSA-N 1 0 244.298 0.546 20 30 BCEDRO CCN(C)C(=O)CNC(=[NH2+])NC(C)(C)C ZINC000187052691 644199908 /nfs/dbraw/zinc/19/99/08/644199908.db2.gz FPNXVHVAERQEFI-UHFFFAOYSA-N 1 0 214.313 0.168 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000923218701 644289827 /nfs/dbraw/zinc/28/98/27/644289827.db2.gz XVDZHMHQRNDOLM-AEJSXWLSSA-N 1 0 209.293 0.400 20 30 BCEDRO CC#CCNC(=O)NC[C@H](C[NH+](C)C)OCC ZINC000923218669 644290387 /nfs/dbraw/zinc/29/03/87/644290387.db2.gz WVYPWMXYBHCQQA-LLVKDONJSA-N 1 0 241.335 0.276 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000923264575 644304110 /nfs/dbraw/zinc/30/41/10/644304110.db2.gz KGCLNNYMORMEBV-LOWVWBTDSA-N 1 0 238.331 0.619 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@@H](F)C[C@H]1C[NH3+] ZINC000923343433 644362959 /nfs/dbraw/zinc/36/29/59/644362959.db2.gz NCGFMJUFFCPATR-DCAQKATOSA-N 1 0 216.300 0.685 20 30 BCEDRO C[NH2+]CCNc1nnc(C)c(C)c1C#N ZINC000082304013 644365858 /nfs/dbraw/zinc/36/58/58/644365858.db2.gz YQZIYHVVPNIUBN-UHFFFAOYSA-N 1 0 205.265 0.596 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H](CN)C1CC1 ZINC000923357807 644367791 /nfs/dbraw/zinc/36/77/91/644367791.db2.gz RWQNVSOPSOMMLS-VXGBXAGGSA-N 1 0 212.337 0.983 20 30 BCEDRO C=CCCN1CCN(C(=O)c2ccncn2)CC1 ZINC000952332532 644374193 /nfs/dbraw/zinc/37/41/93/644374193.db2.gz UWRFPNZDTYJBCG-UHFFFAOYSA-N 1 0 246.314 0.811 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@H](C)[NH2+]C[C@H]1C ZINC000923361066 644387217 /nfs/dbraw/zinc/38/72/17/644387217.db2.gz HIPLFLCRRFVUPS-TUAOUCFPSA-N 1 0 212.337 0.996 20 30 BCEDRO C=CCC[C@@H](O)CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000923395405 644401585 /nfs/dbraw/zinc/40/15/85/644401585.db2.gz LEFIIQRGEGQYFY-GMTAPVOTSA-N 1 0 216.300 0.685 20 30 BCEDRO N#Cc1cccc2c1CN([C@H]1C[C@H]([NH3+])C[C@@H]1O)C2 ZINC000923393313 644402062 /nfs/dbraw/zinc/40/20/62/644402062.db2.gz OGVIXICVSYLKAB-UBHSHLNASA-N 1 0 243.310 0.724 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@H](OC)C[C@]1(C)C[NH3+] ZINC000923410807 644410417 /nfs/dbraw/zinc/41/04/17/644410417.db2.gz JQXNOEZHVCPBAP-YNEHKIRRSA-N 1 0 242.363 0.752 20 30 BCEDRO N#Cc1ccc(CN2CCC[C@@]([NH3+])(CO)C2)cc1 ZINC000923473820 644450846 /nfs/dbraw/zinc/45/08/46/644450846.db2.gz VRVJFVASOCUKGL-AWEZNQCLSA-N 1 0 245.326 0.844 20 30 BCEDRO N#Cc1cnccc1CN1C[C@@H]2CC[NH2+]C[C@@H]2C1 ZINC000923522561 644488275 /nfs/dbraw/zinc/48/82/75/644488275.db2.gz WEDCISUGOCHUCD-GXTWGEPZSA-N 1 0 242.326 0.995 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000923551657 644494794 /nfs/dbraw/zinc/49/47/94/644494794.db2.gz CCBMGBFTUQTEKY-WUHRBBMRSA-N 1 0 248.326 0.093 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000923560292 644500508 /nfs/dbraw/zinc/50/05/08/644500508.db2.gz RWXBESPLCNOCJF-CHWSQXEVSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)/C=C\COC)C1 ZINC000923561011 644500897 /nfs/dbraw/zinc/50/08/97/644500897.db2.gz PEFZENVCIPJMDU-SMYYYNMVSA-N 1 0 236.315 0.403 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)[C@@H]2CC[N@@H+](C)C2)C1 ZINC000923560293 644502202 /nfs/dbraw/zinc/50/22/02/644502202.db2.gz RWXBESPLCNOCJF-OLZOCXBDSA-N 1 0 249.358 0.152 20 30 BCEDRO COc1ccc(C[NH2+]CCC(N)=O)cc1C#N ZINC000087822980 644502710 /nfs/dbraw/zinc/50/27/10/644502710.db2.gz OEIFNABSWRHPOJ-UHFFFAOYSA-N 1 0 233.271 0.532 20 30 BCEDRO CC[NH+](CC)CCNC(=O)NCCC#N ZINC000244204132 644507822 /nfs/dbraw/zinc/50/78/22/644507822.db2.gz VQLAHBKUJAJTHO-UHFFFAOYSA-N 1 0 212.297 0.541 20 30 BCEDRO C=CCN1CCC[C@H](NC(=O)c2cn(C)nn2)C1 ZINC001007261958 644666427 /nfs/dbraw/zinc/66/64/27/644666427.db2.gz PUSKEXQQQNNXAH-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO N#Cc1cnccc1N1CCC([NH3+])(CO)CC1 ZINC000775477829 644702294 /nfs/dbraw/zinc/70/22/94/644702294.db2.gz XAIDLWUWFBKLLT-UHFFFAOYSA-N 1 0 232.287 0.243 20 30 BCEDRO C[C@@H]1CNC(NN=C2C[C@H](C)N(C)C2)=[NH+]1 ZINC000779797797 644715487 /nfs/dbraw/zinc/71/54/87/644715487.db2.gz JZTPMZOVCZSJFB-SFYZADRCSA-N 1 0 209.297 0.004 20 30 BCEDRO CC(C)N1CC(=NNC2=[NH+][C@H](C)CN2)[C@@H](C)C1 ZINC000779797736 644715560 /nfs/dbraw/zinc/71/55/60/644715560.db2.gz IQZVYJQCSPGTTE-VHSXEESVSA-N 1 0 237.351 0.640 20 30 BCEDRO C=CC[N@H+]1C[C@@H](O)[C@@H](CNC(=O)C2CCC2)C1 ZINC000957798154 644754281 /nfs/dbraw/zinc/75/42/81/644754281.db2.gz QKRWJRHQLDCZPK-NWDGAFQWSA-N 1 0 238.331 0.381 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1CC1 ZINC000958023436 644770819 /nfs/dbraw/zinc/77/08/19/644770819.db2.gz MXIJTSBDLOCKGC-GDNZZTSVSA-N 1 0 218.300 0.466 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccc[nH]1 ZINC000958215825 644781725 /nfs/dbraw/zinc/78/17/25/644781725.db2.gz DAICRFUQEQWHGJ-IAZYJMLFSA-N 1 0 231.299 0.861 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccon1 ZINC000958284603 644785131 /nfs/dbraw/zinc/78/51/31/644785131.db2.gz GGBGKXPNVBQKHW-IAZYJMLFSA-N 1 0 247.298 0.911 20 30 BCEDRO C=CCC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC000958302527 644786826 /nfs/dbraw/zinc/78/68/26/644786826.db2.gz ZIJPZTIYUFWXCQ-GDNZZTSVSA-N 1 0 246.314 0.646 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cn[nH]c1 ZINC000958301824 644787740 /nfs/dbraw/zinc/78/77/40/644787740.db2.gz NPKIQKSOIJUJMW-GDNZZTSVSA-N 1 0 246.314 0.646 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cscn1 ZINC000958357343 644791559 /nfs/dbraw/zinc/79/15/59/644791559.db2.gz XKCKKANOPRXQPF-JZYVYDRUSA-N 1 0 247.323 0.436 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cc[nH]c1C ZINC000958510771 644803254 /nfs/dbraw/zinc/80/32/54/644803254.db2.gz GJLNJBQFBKJXEQ-ITGUQSILSA-N 1 0 243.310 0.616 20 30 BCEDRO CNC(=[NH2+])NCCc1c(C)nn(C)c1C ZINC000303262420 644813319 /nfs/dbraw/zinc/81/33/19/644813319.db2.gz PRNUCKXZYJWQFD-UHFFFAOYSA-N 1 0 209.297 0.114 20 30 BCEDRO [NH2+]=C(NCCc1nnc2ccccn21)NC1CC1 ZINC000303262703 644813993 /nfs/dbraw/zinc/81/39/93/644813993.db2.gz QAXRURAAUQLTSK-UHFFFAOYSA-N 1 0 244.302 0.339 20 30 BCEDRO CNC(NCCC(=O)NCc1ccccc1)=[NH+]C ZINC000303260499 644814182 /nfs/dbraw/zinc/81/41/82/644814182.db2.gz NIEQERXNHNCXJZ-UHFFFAOYSA-N 1 0 248.330 0.488 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCCCS(C)(=O)=O ZINC000303387636 644820829 /nfs/dbraw/zinc/82/08/29/644820829.db2.gz XALJVTHTJPWUAZ-MRVPVSSYSA-N 1 0 235.353 0.124 20 30 BCEDRO CCCNC(=O)CCNC(NC1CC1)=[NH+]C ZINC000303407960 644821434 /nfs/dbraw/zinc/82/14/34/644821434.db2.gz SYLKUDUXMQESJH-UHFFFAOYSA-N 1 0 226.324 0.230 20 30 BCEDRO C[NH+]=C(NCCc1nc(C)no1)NC(C)(C)C ZINC000303475229 644826231 /nfs/dbraw/zinc/82/62/31/644826231.db2.gz LYMONMPECBQVDH-UHFFFAOYSA-N 1 0 239.323 0.884 20 30 BCEDRO CCOC(=O)CCC[NH+]=C(N(C)C)N(C)C ZINC000303692385 644839266 /nfs/dbraw/zinc/83/92/66/644839266.db2.gz BGOMAXBIMFHIJB-UHFFFAOYSA-N 1 0 229.324 0.809 20 30 BCEDRO CCOCCCNC(=[NH2+])NCc1cccnc1 ZINC000303696760 644839302 /nfs/dbraw/zinc/83/93/02/644839302.db2.gz FGDXCYMZYWCDQL-UHFFFAOYSA-N 1 0 236.319 0.913 20 30 BCEDRO [NH2+]=C(NCc1cccnc1)N1CCSCC1 ZINC000303719903 644840017 /nfs/dbraw/zinc/84/00/17/644840017.db2.gz WEGBHCRECKHRNM-UHFFFAOYSA-N 1 0 236.344 0.945 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)N1CCCCC1 ZINC000303709934 644840621 /nfs/dbraw/zinc/84/06/21/644840621.db2.gz OGARMFLERRQOAJ-SNVBAGLBSA-N 1 0 211.309 0.966 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](CC(N)=O)C1 ZINC000801924398 644844856 /nfs/dbraw/zinc/84/48/56/644844856.db2.gz OPFCTLVLWWNFAC-QWRGUYRKSA-N 1 0 239.319 0.502 20 30 BCEDRO [NH2+]=C(NCCCOCC1CC1)N1CCOCC1 ZINC000303774896 644844852 /nfs/dbraw/zinc/84/48/52/644844852.db2.gz GIILDLNKIKTMIJ-UHFFFAOYSA-N 1 0 241.335 0.450 20 30 BCEDRO COCC[NH+]1CCN(CCO[C@H](C)C#N)CC1 ZINC000801912534 644845083 /nfs/dbraw/zinc/84/50/83/644845083.db2.gz VPWTXVVZIIZKRT-GFCCVEGCSA-N 1 0 241.335 0.179 20 30 BCEDRO CCCCNC(=[NH2+])NCCCOCCOC ZINC000303789073 644845789 /nfs/dbraw/zinc/84/57/89/644845789.db2.gz VANFBZLZOFCIIF-UHFFFAOYSA-N 1 0 231.340 0.744 20 30 BCEDRO [NH2+]=C(NCC(=O)NC1CC1)N1CCCCC1 ZINC000303786326 644846703 /nfs/dbraw/zinc/84/67/03/644846703.db2.gz RFJUQIWEQCRWPS-UHFFFAOYSA-N 1 0 224.308 0.066 20 30 BCEDRO COC(=O)[C@]1(C)CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801927251 644847137 /nfs/dbraw/zinc/84/71/37/644847137.db2.gz KRWIRQMCNNSROO-CMPLNLGQSA-N 1 0 240.303 0.800 20 30 BCEDRO COC(=O)[C@@]1(C)CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000801927252 644847212 /nfs/dbraw/zinc/84/72/12/644847212.db2.gz KRWIRQMCNNSROO-JQWIXIFHSA-N 1 0 240.303 0.800 20 30 BCEDRO [NH2+]=C(NCCn1ccnc1)N1CCCCC1 ZINC000303792348 644848252 /nfs/dbraw/zinc/84/82/52/644848252.db2.gz YKHJDDPJRBADHS-UHFFFAOYSA-N 1 0 221.308 0.684 20 30 BCEDRO [NH2+]=C(NC[C@@H]1Cc2ccccc21)N1CCOCC1 ZINC000303865915 644851101 /nfs/dbraw/zinc/85/11/01/644851101.db2.gz BXESDYPRFPJBMX-LBPRGKRZSA-N 1 0 245.326 0.973 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc2c(c1)OCCO2 ZINC000252447146 644851238 /nfs/dbraw/zinc/85/12/38/644851238.db2.gz GLXCZAQNTHIYPS-UHFFFAOYSA-N 1 0 234.259 0.665 20 30 BCEDRO CCCNC(=O)CCNC(=[NH2+])NCCC(C)C ZINC000303863313 644851244 /nfs/dbraw/zinc/85/12/44/644851244.db2.gz AFTHNLRDICDNBK-UHFFFAOYSA-N 1 0 242.367 0.853 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCC(=O)N(C)C ZINC000303880968 644853798 /nfs/dbraw/zinc/85/37/98/644853798.db2.gz KLIVSUVLCLLIMT-UHFFFAOYSA-N 1 0 228.340 0.415 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCc1cccc(C(N)=O)c1 ZINC000303892570 644854164 /nfs/dbraw/zinc/85/41/64/644854164.db2.gz NOIAPKDAQBIWJE-UHFFFAOYSA-N 1 0 246.314 0.766 20 30 BCEDRO CCCCNC(=[NH2+])NCCC(=O)NCCC ZINC000303885213 644854788 /nfs/dbraw/zinc/85/47/88/644854788.db2.gz NBLMXYZYWHAJQZ-UHFFFAOYSA-N 1 0 228.340 0.607 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCC(C)(C)C(N)=O ZINC000303902049 644855819 /nfs/dbraw/zinc/85/58/19/644855819.db2.gz XOZFBHKEQQUZNP-UHFFFAOYSA-N 1 0 228.340 0.448 20 30 BCEDRO C[C@H]1C[C@@H]1NC(=[NH2+])NCCc1ccccn1 ZINC000303896299 644856212 /nfs/dbraw/zinc/85/62/12/644856212.db2.gz UJJLIJDZYJOGAF-ONGXEEELSA-N 1 0 218.304 0.937 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H](C)Cn1cccn1 ZINC000303896544 644856226 /nfs/dbraw/zinc/85/62/26/644856226.db2.gz UOXVGYMYRWDWGJ-LLVKDONJSA-N 1 0 235.335 1.000 20 30 BCEDRO CCOCCCNC(=[NH2+])NCC1(O)CCCC1 ZINC000303972343 644861386 /nfs/dbraw/zinc/86/13/86/644861386.db2.gz FRBXDZYRRHVEKN-UHFFFAOYSA-N 1 0 243.351 0.622 20 30 BCEDRO C=CCNC(=[NH2+])NCc1cc(OC)ccc1O ZINC000304151424 644871390 /nfs/dbraw/zinc/87/13/90/644871390.db2.gz ZFOOYVLGBPQKPV-UHFFFAOYSA-N 1 0 235.287 0.991 20 30 BCEDRO NC(=[NH2+])NN=Cc1c[nH]c2ncccc12 ZINC000252677191 644874674 /nfs/dbraw/zinc/87/46/74/644874674.db2.gz VUQWJWCDSUCDHP-UHFFFAOYSA-N 1 0 202.221 0.380 20 30 BCEDRO C[C@@H](C#N)OCC[NH+]1CCC2(CC1)OCCO2 ZINC000304229504 644878000 /nfs/dbraw/zinc/87/80/00/644878000.db2.gz KHFRYAAAQLBPKN-NSHDSACASA-N 1 0 240.303 0.754 20 30 BCEDRO CC(C)C[N@H+](CCO[C@H](C)C#N)CC(N)=O ZINC000304226087 644878165 /nfs/dbraw/zinc/87/81/65/644878165.db2.gz JCXTXJGZLAARHX-SNVBAGLBSA-N 1 0 227.308 0.358 20 30 BCEDRO CC[N@H+](CCOCCO)CCO[C@H](C)C#N ZINC000304229547 644878942 /nfs/dbraw/zinc/87/89/42/644878942.db2.gz KHXMHPSGCIDKAX-LLVKDONJSA-N 1 0 230.308 0.246 20 30 BCEDRO CNC(=[NH2+])NCCCOCC1CCOCC1 ZINC000304272394 644884806 /nfs/dbraw/zinc/88/48/06/644884806.db2.gz ANWRIPJLIBQMPY-UHFFFAOYSA-N 1 0 229.324 0.354 20 30 BCEDRO N#CC[C@@H](O)CN1CCC[C@@H]1C[NH+]1CCCC1 ZINC000809573751 644890853 /nfs/dbraw/zinc/89/08/53/644890853.db2.gz XDRJEIFRZWHBGH-CHWSQXEVSA-N 1 0 237.347 0.821 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H](C2OCCO2)C1 ZINC000809573297 644892214 /nfs/dbraw/zinc/89/22/14/644892214.db2.gz HDRZRIUMUWMNRC-GHMZBOCLSA-N 1 0 240.303 0.346 20 30 BCEDRO N#CC[C@@H](O)C[N@H+](C[C@H]1CCOC1)C1CC1 ZINC000809572675 644892336 /nfs/dbraw/zinc/89/23/36/644892336.db2.gz QWEBONUDSPHUJH-ZYHUDNBSSA-N 1 0 224.304 0.762 20 30 BCEDRO CNC(NC[C@@H](C)C(=O)OC(C)C)=[NH+]C ZINC000304366964 644898143 /nfs/dbraw/zinc/89/81/43/644898143.db2.gz ZAENJEYVVLOVJH-MRVPVSSYSA-N 1 0 215.297 0.369 20 30 BCEDRO CCNC(=[NH2+])NCC1(C(=O)N(C)C)CCCC1 ZINC000304496893 644911164 /nfs/dbraw/zinc/91/11/64/644911164.db2.gz FAHPGLXAVNTRDW-UHFFFAOYSA-N 1 0 240.351 0.559 20 30 BCEDRO CCNC(=[NH2+])NC[C@H](OC)C(C)(C)C ZINC000304705286 644926398 /nfs/dbraw/zinc/92/63/98/644926398.db2.gz WRMMYIILYKIGRN-QMMMGPOBSA-N 1 0 201.314 0.972 20 30 BCEDRO CCCCNC(=[NH2+])NCC(C)(C)S(C)(=O)=O ZINC000304735396 644927324 /nfs/dbraw/zinc/92/73/24/644927324.db2.gz SDIGQERGGMIYCM-UHFFFAOYSA-N 1 0 249.380 0.514 20 30 BCEDRO Cc1nc(CNC(=[NH2+])N2CCCCC2)no1 ZINC000304741757 644928791 /nfs/dbraw/zinc/92/87/91/644928791.db2.gz CGUCAKOJSSZUBS-UHFFFAOYSA-N 1 0 223.280 0.679 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@@H]1c1ncc[nH]1 ZINC000815078960 644950587 /nfs/dbraw/zinc/95/05/87/644950587.db2.gz LEJSWZDMJWIXPG-LLVKDONJSA-N 1 0 246.314 0.686 20 30 BCEDRO CCCCOC[C@H](O)C[NH2+]CCC#N ZINC000819270067 645009833 /nfs/dbraw/zinc/00/98/33/645009833.db2.gz SHTYJUFPXICEDG-SNVBAGLBSA-N 1 0 200.282 0.667 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000829784036 645110358 /nfs/dbraw/zinc/11/03/58/645110358.db2.gz FALUCODNKRGFCG-LLVKDONJSA-N 1 0 244.360 0.271 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H](CC)C(N)=O)C1 ZINC000829784169 645110960 /nfs/dbraw/zinc/11/09/60/645110960.db2.gz GQRBCHXZQWZGOK-MNOVXSKESA-N 1 0 208.305 0.986 20 30 BCEDRO C#CC1CC[NH+](CCC(=O)NCC)CC1 ZINC000830316026 645119140 /nfs/dbraw/zinc/11/91/40/645119140.db2.gz BHVQYNOCADEWQA-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO Cc1ncccc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834484268 645143167 /nfs/dbraw/zinc/14/31/67/645143167.db2.gz GMPSYEZJJXRLQS-ONGXEEELSA-N 1 0 230.271 0.231 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(C(=O)C#CC3CC3)C[C@@H]21 ZINC000837682688 645202842 /nfs/dbraw/zinc/20/28/42/645202842.db2.gz RQPIVJUIOSCPFU-NEPJUHHUSA-N 1 0 218.300 0.562 20 30 BCEDRO C#CCCCCNC(=O)N[C@H](C)CC[NH3+] ZINC000841857804 645230888 /nfs/dbraw/zinc/23/08/88/645230888.db2.gz ATIHMTAXHGSLGM-SNVBAGLBSA-N 1 0 211.309 0.826 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926545285 645268376 /nfs/dbraw/zinc/26/83/76/645268376.db2.gz JGAUWBPWUQPABV-VHSXEESVSA-N 1 0 224.308 0.793 20 30 BCEDRO C=CCOCC(=O)NCCCCCC[NH3+] ZINC000843509044 645293093 /nfs/dbraw/zinc/29/30/93/645293093.db2.gz DLUGBMLUPCWWIK-UHFFFAOYSA-N 1 0 214.309 0.824 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H](C)C(C)(C)CO)nn1 ZINC000926615850 645315778 /nfs/dbraw/zinc/31/57/78/645315778.db2.gz RVQFVQRBZVNUQQ-SNVBAGLBSA-N 1 0 238.335 0.961 20 30 BCEDRO C[C@H]1[C@H](C)OC[C@H]1[NH+]1CCN(CCC#N)CC1 ZINC000926808450 645439702 /nfs/dbraw/zinc/43/97/02/645439702.db2.gz QHOPEVOGSVSYFR-RWMBFGLXSA-N 1 0 237.347 0.941 20 30 BCEDRO CNC(NCc1ccc(NC(C)=O)nc1)=[NH+]C ZINC000849023824 645446675 /nfs/dbraw/zinc/44/66/75/645446675.db2.gz YYKUTTWLIRGMDD-UHFFFAOYSA-N 1 0 235.291 0.335 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+][C@H]2C(=O)NCC2(C)C)C1 ZINC000926864368 645463826 /nfs/dbraw/zinc/46/38/26/645463826.db2.gz CLYDIGKPTKAHEA-NEPJUHHUSA-N 1 0 249.358 0.198 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CN3C[C@@H]2CCC3)C1 ZINC000926870007 645465810 /nfs/dbraw/zinc/46/58/10/645465810.db2.gz ZLVJFOPNFQDMMG-KKUMJFAQSA-N 1 0 247.386 0.768 20 30 BCEDRO N#CC[C@@]1(O)CCN(CCOC(F)F)C1 ZINC000852205134 645473004 /nfs/dbraw/zinc/47/30/04/645473004.db2.gz JRESFYHNGIETAC-SECBINFHSA-N 1 0 220.219 0.576 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](CCN2C(=O)CN(C)C2=O)C1 ZINC000852216272 645476873 /nfs/dbraw/zinc/47/68/73/645476873.db2.gz XZFJJKYTQAOBPV-LLVKDONJSA-N 1 0 249.314 0.226 20 30 BCEDRO C=CC[C@H](C)[C@@H](C)[NH2+]C[C@@H](O)CS(C)(=O)=O ZINC000927025236 645524240 /nfs/dbraw/zinc/52/42/40/645524240.db2.gz FAENICVWYJPAMF-HBNTYKKESA-N 1 0 249.376 0.582 20 30 BCEDRO C[C@@H]1COC[C@H]1[NH2+]CCNc1ccc(C#N)cn1 ZINC000927169104 645581864 /nfs/dbraw/zinc/58/18/64/645581864.db2.gz WFLYIPLSQWKMNR-ZYHUDNBSSA-N 1 0 246.314 0.990 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccnc(F)c1 ZINC000858115640 645670737 /nfs/dbraw/zinc/67/07/37/645670737.db2.gz CBDVGEIIFQXMQW-UHFFFAOYSA-N 1 0 235.262 0.450 20 30 BCEDRO C#CCSCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863552982 645703871 /nfs/dbraw/zinc/70/38/71/645703871.db2.gz RYRRCRDCYKMSMH-LLVKDONJSA-N 1 0 238.356 0.997 20 30 BCEDRO C#CCOCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000863553413 645703999 /nfs/dbraw/zinc/70/39/99/645703999.db2.gz BEGPDDNOFSYXHG-LLVKDONJSA-N 1 0 222.288 0.281 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C[NH+](CC)CC ZINC000863799177 645706315 /nfs/dbraw/zinc/70/63/15/645706315.db2.gz WODSQLNDDNJJDR-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1coc(C#N)c1 ZINC000864416594 645713766 /nfs/dbraw/zinc/71/37/66/645713766.db2.gz XPPQHEJLVVYZNM-UHFFFAOYSA-N 1 0 221.260 0.833 20 30 BCEDRO C#CCSCC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928425736 645742115 /nfs/dbraw/zinc/74/21/15/645742115.db2.gz KNOFJTQAEMLDEU-VHSXEESVSA-N 1 0 226.345 0.562 20 30 BCEDRO CC(C)C#CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928436885 645742316 /nfs/dbraw/zinc/74/23/16/645742316.db2.gz VYPHGCNPOYPCSW-WDEREUQCSA-N 1 0 208.305 0.855 20 30 BCEDRO C[C@H]1[C@H](NC(=O)c2coc(C#N)c2)CC[N@@H+]1C ZINC000928425138 645742368 /nfs/dbraw/zinc/74/23/68/645742368.db2.gz AGCWAOVAEOOXEG-GZMMTYOYSA-N 1 0 233.271 0.974 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000928432330 645748292 /nfs/dbraw/zinc/74/82/92/645748292.db2.gz JFGBJLPGNDGNMC-USZNOCQGSA-N 1 0 238.331 0.786 20 30 BCEDRO C[C@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C ZINC000928438686 645755679 /nfs/dbraw/zinc/75/56/79/645755679.db2.gz GXZVMZDSQHMUIH-WCBMZHEXSA-N 1 0 232.287 0.709 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C ZINC000928438680 645757558 /nfs/dbraw/zinc/75/75/58/645757558.db2.gz GXZVMZDSQHMUIH-SCZZXKLOSA-N 1 0 232.287 0.709 20 30 BCEDRO C[C@@H]1[C@H](NC(=O)c2ccc(C#N)[nH]2)CC[N@@H+]1C ZINC000928438673 645759685 /nfs/dbraw/zinc/75/96/85/645759685.db2.gz GXZVMZDSQHMUIH-PSASIEDQSA-N 1 0 232.287 0.709 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000928439607 645760903 /nfs/dbraw/zinc/76/09/03/645760903.db2.gz JEXOSUPPLLBFAX-UMNHJUIQSA-N 1 0 226.320 0.522 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928439606 645763076 /nfs/dbraw/zinc/76/30/76/645763076.db2.gz JEXOSUPPLLBFAX-SCVCMEIPSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000928442309 645768841 /nfs/dbraw/zinc/76/88/41/645768841.db2.gz AZLMSZRHUJBYBY-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC000928448569 645771149 /nfs/dbraw/zinc/77/11/49/645771149.db2.gz OBDFOAAUTKKUNS-ZWNOBZJWSA-N 1 0 243.310 0.885 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@@H]2C)cn1 ZINC000928448568 645772713 /nfs/dbraw/zinc/77/27/13/645772713.db2.gz OBDFOAAUTKKUNS-MFKMUULPSA-N 1 0 243.310 0.885 20 30 BCEDRO C#CC[N@@H+](C[C@]1(OC)CCOC1)C1CC1 ZINC000877371235 645793924 /nfs/dbraw/zinc/79/39/24/645793924.db2.gz BTZQWHKLSQPERQ-GFCCVEGCSA-N 1 0 209.289 0.890 20 30 BCEDRO C#CC[N@@H+](C[C@@]1(OC)CCOC1)C1CC1 ZINC000877371236 645794715 /nfs/dbraw/zinc/79/47/15/645794715.db2.gz BTZQWHKLSQPERQ-LBPRGKRZSA-N 1 0 209.289 0.890 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](C)CC1 ZINC000928542197 645798447 /nfs/dbraw/zinc/79/84/47/645798447.db2.gz YBCQRKXSLSTFDF-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C[C@@H](O)C[N@H+](CCO)Cc1ccc(C#N)o1 ZINC000878627397 645821371 /nfs/dbraw/zinc/82/13/71/645821371.db2.gz PNPIUZDBNZIPLH-SECBINFHSA-N 1 0 224.260 0.326 20 30 BCEDRO C#CCC1(O)CC[NH+](CCC(C)(C)O)CC1 ZINC000880480459 645832655 /nfs/dbraw/zinc/83/26/55/645832655.db2.gz UFOWCGYUWBZCHM-UHFFFAOYSA-N 1 0 225.332 0.998 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc2c(c1)nnn2C ZINC000883123816 645848182 /nfs/dbraw/zinc/84/81/82/645848182.db2.gz LXPOLPYGNDTJMI-LLVKDONJSA-N 1 0 244.298 0.442 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc2cnccn12 ZINC000883124046 645848803 /nfs/dbraw/zinc/84/88/03/645848803.db2.gz UCLYMERBNUGBLJ-JTQLQIEISA-N 1 0 230.271 0.203 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)c2conc2C)CC1 ZINC000928649401 645851940 /nfs/dbraw/zinc/85/19/40/645851940.db2.gz JRODGRWNUCDIRM-UHFFFAOYSA-N 1 0 247.298 0.810 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C2(OC)CC2)CC1 ZINC000928649472 645852623 /nfs/dbraw/zinc/85/26/23/645852623.db2.gz MYDLKKQURAQNHC-UHFFFAOYSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CC(C)=NO2)CC1 ZINC000928651027 645852766 /nfs/dbraw/zinc/85/27/66/645852766.db2.gz KIHCJDZLTNKMDC-LBPRGKRZSA-N 1 0 249.314 0.365 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@](C)(O)C=C)CC1 ZINC000928651342 645853024 /nfs/dbraw/zinc/85/30/24/645853024.db2.gz SJPAGPISRANGKQ-CYBMUJFWSA-N 1 0 236.315 0.137 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)CCCF)CC1 ZINC000928648882 645853430 /nfs/dbraw/zinc/85/34/30/645853430.db2.gz UGVZESWAAZLQMY-UHFFFAOYSA-N 1 0 226.295 0.950 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)Cn2ccnc2)CC1 ZINC000928651107 645853745 /nfs/dbraw/zinc/85/37/45/645853745.db2.gz MUFHERFSJYDYJC-UHFFFAOYSA-N 1 0 246.314 0.097 20 30 BCEDRO C#CC(=O)N[C@@H](CC[NH+](C)C)c1cccnc1 ZINC000928843961 645867109 /nfs/dbraw/zinc/86/71/09/645867109.db2.gz WURDZANJQMKZBU-LBPRGKRZSA-N 1 0 231.299 0.824 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1COC[C@@H]1C ZINC000928919895 645893264 /nfs/dbraw/zinc/89/32/64/645893264.db2.gz QQOSYSDYHJWMHX-WDEREUQCSA-N 1 0 226.320 0.645 20 30 BCEDRO C#C[C@H](NC[C@@H](O)C[NH+]1CCCC1)C(C)C ZINC000300965211 645899247 /nfs/dbraw/zinc/89/92/47/645899247.db2.gz RLLAFSBMYCQMAF-OLZOCXBDSA-N 1 0 224.348 0.691 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC(C(=O)NC)CC1 ZINC000929194392 645998256 /nfs/dbraw/zinc/99/82/56/645998256.db2.gz VDEYIGCLMMEFAJ-LLVKDONJSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(C)C[N@H+](CC)C[C@@H](O)C[C@@]1(O)CCOC1 ZINC000929217626 646017872 /nfs/dbraw/zinc/01/78/72/646017872.db2.gz MVOXNWYVADJQFH-STQMWFEESA-N 1 0 243.347 0.787 20 30 BCEDRO N#CC1CC[NH+](C[C@@H](O)C2(O)CCCC2)CC1 ZINC000929416677 646112020 /nfs/dbraw/zinc/11/20/20/646112020.db2.gz RSHQJKRBACFEOL-GFCCVEGCSA-N 1 0 238.331 0.888 20 30 BCEDRO CC[N@H+](C[C@H](O)CC#N)C[C@@H]1CCCO1 ZINC000929417750 646113767 /nfs/dbraw/zinc/11/37/67/646113767.db2.gz DGDZPPBVLXOSHW-MNOVXSKESA-N 1 0 212.293 0.762 20 30 BCEDRO C#CCNC(=O)C1CC[NH+]([C@H](CC)CO)CC1 ZINC000929418960 646115358 /nfs/dbraw/zinc/11/53/58/646115358.db2.gz ZPGRXPQTDHAPRX-GFCCVEGCSA-N 1 0 238.331 0.219 20 30 BCEDRO C=CCCCCN1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924848287 646116761 /nfs/dbraw/zinc/11/67/61/646116761.db2.gz XQIYTVIOTGBXHI-SNVBAGLBSA-N 1 0 239.319 0.825 20 30 BCEDRO CC[N@@H+]1CCCN(C[C@H](O)CC#N)CC1 ZINC000929481059 646138690 /nfs/dbraw/zinc/13/86/90/646138690.db2.gz DLLUSQJAANRTHG-LLVKDONJSA-N 1 0 211.309 0.289 20 30 BCEDRO C[C@@H]([NH2+]C1CCN(CC#N)CC1)C(C)(C)CO ZINC000924999346 646153966 /nfs/dbraw/zinc/15/39/66/646153966.db2.gz GUMOVXABLIGTRL-LLVKDONJSA-N 1 0 239.363 0.971 20 30 BCEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)C(C)(C)CO ZINC000924999347 646155082 /nfs/dbraw/zinc/15/50/82/646155082.db2.gz GUMOVXABLIGTRL-NSHDSACASA-N 1 0 239.363 0.971 20 30 BCEDRO C=C1CC[NH+](C[C@@H](O)C[C@]2(O)CCOC2)CC1 ZINC000929605256 646185317 /nfs/dbraw/zinc/18/53/17/646185317.db2.gz XTVNAHBMKBWSDL-QWHCGFSZSA-N 1 0 241.331 0.541 20 30 BCEDRO N#CC[C@@H](O)CN1CC[C@@H]([NH+]2CCCCC2)C1 ZINC000929605519 646195285 /nfs/dbraw/zinc/19/52/85/646195285.db2.gz YKWAMKCGQWAJJN-CHWSQXEVSA-N 1 0 237.347 0.821 20 30 BCEDRO C#CC[C@@H]1NC(=O)N([C@H]2CCC[N@@H+](C)C2)C1=O ZINC000925300532 646233543 /nfs/dbraw/zinc/23/35/43/646233543.db2.gz WLWVSFOXRCWRHR-UWVGGRQHSA-N 1 0 235.287 0.024 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@H]1CC[N@H+]1C ZINC000925405671 646263150 /nfs/dbraw/zinc/26/31/50/646263150.db2.gz GYUSYZKGCFQXQF-MRVPVSSYSA-N 1 0 217.700 0.742 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[N@H+](C)[C@H]1C)C1CC1 ZINC000925330643 646242026 /nfs/dbraw/zinc/24/20/26/646242026.db2.gz FYPXNSLNIDMIDR-CMPLNLGQSA-N 1 0 235.331 0.886 20 30 BCEDRO C#CC1(F)CN(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)C1 ZINC000925354109 646252047 /nfs/dbraw/zinc/25/20/47/646252047.db2.gz JQUZXQLGHLDNNM-UWVGGRQHSA-N 1 0 239.294 0.446 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+](CCCCO)C1CC1 ZINC000929703218 646259373 /nfs/dbraw/zinc/25/93/73/646259373.db2.gz QXRPGYXXMCYEBK-LLVKDONJSA-N 1 0 212.293 0.498 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925406480 646263861 /nfs/dbraw/zinc/26/38/61/646263861.db2.gz NOTWKNXETQWJRB-VHSXEESVSA-N 1 0 211.309 0.954 20 30 BCEDRO C#CC1(NC(=O)NC[C@H]2CC[N@H+]2C)CCCC1 ZINC000925433816 646281517 /nfs/dbraw/zinc/28/15/17/646281517.db2.gz XMCFSALQJVFENU-LLVKDONJSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CC[NH+](CC#C)C[C@@H]1C[C@H]1C(=O)OCC ZINC000929758435 646291080 /nfs/dbraw/zinc/29/10/80/646291080.db2.gz PGVKFYURHYNYMQ-NWDGAFQWSA-N 1 0 219.284 0.754 20 30 BCEDRO CC[NH+]1CCC(N(C)C[C@H](O)CC#N)CC1 ZINC000929781547 646307911 /nfs/dbraw/zinc/30/79/11/646307911.db2.gz XAYHXSRGTCHRRH-GFCCVEGCSA-N 1 0 225.336 0.677 20 30 BCEDRO C=C(C)COCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000925530106 646318757 /nfs/dbraw/zinc/31/87/57/646318757.db2.gz BQFHVNXAOIVSBR-SNVBAGLBSA-N 1 0 226.320 0.693 20 30 BCEDRO C=C(C)[C@H](CO)N(C)Cc1cnccn1 ZINC000929796588 646325267 /nfs/dbraw/zinc/32/52/67/646325267.db2.gz BMKKUXQDOXOCPQ-NSHDSACASA-N 1 0 207.277 0.845 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@@H]2COCC[C@H]21 ZINC000929825422 646342363 /nfs/dbraw/zinc/34/23/63/646342363.db2.gz LOMGWDISPZXUCY-IJLUTSLNSA-N 1 0 224.304 0.762 20 30 BCEDRO C=CCS(=O)(=O)CCN[C@H]1CCC[NH2+][C@H]1C ZINC000925634022 646377708 /nfs/dbraw/zinc/37/77/08/646377708.db2.gz HUPJOLRDOMEHGG-QWRGUYRKSA-N 1 0 246.376 0.317 20 30 BCEDRO N#CC1CCC(C[NH2+][C@H]2CNCCOC2)CC1 ZINC000925653011 646388689 /nfs/dbraw/zinc/38/86/89/646388689.db2.gz CKMYHFBASRNMRY-BPCQOVAHSA-N 1 0 237.347 0.894 20 30 BCEDRO N#CCC1(CN[C@@H]2C[NH2+]CCOC2)CC1 ZINC000925652061 646392670 /nfs/dbraw/zinc/39/26/70/646392670.db2.gz BJVSHYRJMJWVHE-SNVBAGLBSA-N 1 0 209.293 0.258 20 30 BCEDRO CC(C)(O)[C@@H]1CCC[N@@H+]1C[C@H](O)CC#N ZINC000930060117 646415199 /nfs/dbraw/zinc/41/51/99/646415199.db2.gz CMJCMELUGIQDTR-ZJUUUORDSA-N 1 0 212.293 0.496 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)C[C@H]1CCC(=O)N1 ZINC000925692708 646418261 /nfs/dbraw/zinc/41/82/61/646418261.db2.gz AHUWNIWFSHGBTR-SDDRHHMPSA-N 1 0 240.347 0.818 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](C)C[C@@H]1CCC(=O)N1 ZINC000925692709 646418562 /nfs/dbraw/zinc/41/85/62/646418562.db2.gz AHUWNIWFSHGBTR-SRVKXCTJSA-N 1 0 240.347 0.818 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H](C(F)F)C1 ZINC000930127407 646448869 /nfs/dbraw/zinc/44/88/69/646448869.db2.gz QKPYXDHHQYEGBA-JGVFFNPUSA-N 1 0 204.220 0.848 20 30 BCEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1C[C@H](O)CC#N ZINC000930178418 646479643 /nfs/dbraw/zinc/47/96/43/646479643.db2.gz YQPFAPMMMTXWDR-GARJFASQSA-N 1 0 211.309 0.285 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@@H](C)CN1C[C@H](O)CC#N ZINC000930161143 646467281 /nfs/dbraw/zinc/46/72/81/646467281.db2.gz GBMFYUQKPIBMBL-HBNTYKKESA-N 1 0 211.309 0.285 20 30 BCEDRO C=CC[N@@H+](CC1CN(S(C)(=O)=O)C1)C1CC1 ZINC000930175000 646478098 /nfs/dbraw/zinc/47/80/98/646478098.db2.gz GTGUUJPBIZETGX-UHFFFAOYSA-N 1 0 244.360 0.528 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1[C@@H](C)COC[C@H]1C ZINC000925980205 646551621 /nfs/dbraw/zinc/55/16/21/646551621.db2.gz XDJNDMHXLBBNFF-IAZYJMLFSA-N 1 0 226.320 0.549 20 30 BCEDRO C=CCNC(=O)C[NH2+]C1CC2(C1)CO[C@@H](C)C2 ZINC000925979755 646552213 /nfs/dbraw/zinc/55/22/13/646552213.db2.gz QHHYUJILYYSODM-ZBOXLXRLSA-N 1 0 238.331 0.836 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](C)Cc1ccccn1 ZINC000925979992 646552229 /nfs/dbraw/zinc/55/22/29/646552229.db2.gz VUSZMOMKOIWJMG-LLVKDONJSA-N 1 0 233.315 0.904 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1COC[C@@H]1CC ZINC000926123991 646579389 /nfs/dbraw/zinc/57/93/89/646579389.db2.gz BHQZGNVKIUZFIL-WDEREUQCSA-N 1 0 247.360 0.602 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1COC[C@@H]1C ZINC000926128093 646580521 /nfs/dbraw/zinc/58/05/21/646580521.db2.gz WDDQXOSFOKRMNL-VHSXEESVSA-N 1 0 233.333 0.212 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926151629 646584289 /nfs/dbraw/zinc/58/42/89/646584289.db2.gz BZILDUULGQHFCE-DTWKUNHWSA-N 1 0 210.281 0.403 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1COC[C@H]1C)[C@@H]1CCCO1 ZINC000926211474 646590956 /nfs/dbraw/zinc/59/09/56/646590956.db2.gz UTTHZJYHDQQFMA-KXNHARMFSA-N 1 0 209.289 0.792 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CN2C[C@@H]1CCC2)[C@@H]1CCCO1 ZINC000926209396 646595807 /nfs/dbraw/zinc/59/58/07/646595807.db2.gz DUUHEXPCHVYTID-XUXIUFHCSA-N 1 0 234.343 0.851 20 30 BCEDRO C#C[C@H]([NH2+][C@H]1CCC1(OC)OC)[C@@H]1CCCO1 ZINC000926211931 646595953 /nfs/dbraw/zinc/59/59/53/646595953.db2.gz WNASRWQLJYCNGN-SRVKXCTJSA-N 1 0 239.315 0.908 20 30 BCEDRO C#C[C@H]([NH2+]C1CCN(OC)CC1)[C@H]1CCCO1 ZINC000926211945 646596161 /nfs/dbraw/zinc/59/61/61/646596161.db2.gz WRKUPNKGAWUGRJ-QWHCGFSZSA-N 1 0 238.331 0.783 20 30 BCEDRO N#Cc1cncc(C[N@H+]2CC[C@H](CO)C2)c1 ZINC000721543846 711621435 /nfs/dbraw/zinc/62/14/35/711621435.db2.gz ZCXXNXJBSYQNCD-JTQLQIEISA-N 1 0 217.272 0.767 20 30 BCEDRO C[C@H]1C[C@@H](O)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721556341 711624239 /nfs/dbraw/zinc/62/42/39/711624239.db2.gz KSAZQLFDYYTXTR-JOYOIKCWSA-N 1 0 217.272 0.908 20 30 BCEDRO C#CC[N@H+]1C[C@@H](NC(=O)CC)C(C)(C)C1 ZINC000972704299 711661821 /nfs/dbraw/zinc/66/18/21/711661821.db2.gz HVVZQLNBEAWXRE-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO COCCNC(=[NH2+])NCCC[C@@H]1CCCCO1 ZINC000184323838 711700905 /nfs/dbraw/zinc/70/09/05/711700905.db2.gz TXYSTVIIEKLFPN-NSHDSACASA-N 1 0 243.351 0.886 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCCN(C(=O)C2CC2)C1 ZINC001027260847 711721987 /nfs/dbraw/zinc/72/19/87/711721987.db2.gz ODRUPXXTQPWWAP-LBPRGKRZSA-N 1 0 220.316 0.952 20 30 BCEDRO CNC(=[NH2+])NC[C@@H]1CCCO[C@@H]1C(C)C ZINC000178561225 711759198 /nfs/dbraw/zinc/75/91/98/711759198.db2.gz ZADXLKFPUGBDDH-VHSXEESVSA-N 1 0 213.325 0.972 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001075620027 711761171 /nfs/dbraw/zinc/76/11/71/711761171.db2.gz WNEANNLJGCHGRE-SDDRHHMPSA-N 1 0 233.315 0.865 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)COC(C)C)CC1 ZINC000928656748 711784464 /nfs/dbraw/zinc/78/44/64/711784464.db2.gz CLEJDNIYGSMXGH-UHFFFAOYSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCC[N@@H+]1CC[C@@H]2NC(=O)CC[C@@H]2C1 ZINC000160959707 711810066 /nfs/dbraw/zinc/81/00/66/711810066.db2.gz VYIAXXNCJLNGEM-MNOVXSKESA-N 1 0 206.289 0.610 20 30 BCEDRO Cc1nn(C)c(C)c1C(=O)NCC#CC[NH+](C)C ZINC000913515803 711823747 /nfs/dbraw/zinc/82/37/47/711823747.db2.gz ODJJEGGDBRIVMH-UHFFFAOYSA-N 1 0 248.330 0.332 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@@H]1C[C@]12CCOC2 ZINC000913521042 711824042 /nfs/dbraw/zinc/82/40/42/711824042.db2.gz JEBVDNMDLWLEEN-AAEUAGOBSA-N 1 0 236.315 0.094 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)[C@H]2C[C@@H]2C)C1 ZINC001077525048 711857955 /nfs/dbraw/zinc/85/79/55/711857955.db2.gz BYDRHGFHGRQOTR-NNYUYHANSA-N 1 0 238.331 0.380 20 30 BCEDRO C[C@H]1CCC[C@H]1[NH2+]CC(=O)NCCC#N ZINC000070831010 711897331 /nfs/dbraw/zinc/89/73/31/711897331.db2.gz GWLAZOZACWVZAI-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](N(C)C(=O)C(F)F)C1 ZINC001032850825 711963036 /nfs/dbraw/zinc/96/30/36/711963036.db2.gz VWKUQKQRZUFBLF-VIFPVBQESA-N 1 0 230.258 0.808 20 30 BCEDRO CCNC(NCC1(CO)CCOCC1)=[NH+]CC ZINC000700966685 712011134 /nfs/dbraw/zinc/01/11/34/712011134.db2.gz UHPKGCOYVQPNFU-UHFFFAOYSA-N 1 0 243.351 0.351 20 30 BCEDRO C[NH+](C)C1CC(NC(=O)c2ccc(C#N)o2)C1 ZINC000701497591 712025257 /nfs/dbraw/zinc/02/52/57/712025257.db2.gz IQUYDQAOCMFGSY-UHFFFAOYSA-N 1 0 233.271 0.974 20 30 BCEDRO C#CCCC[N@H+]1CCC[C@@H](CO)[C@H]1CO ZINC000710059252 712243362 /nfs/dbraw/zinc/24/33/62/712243362.db2.gz DTKFFUQUADMAHE-NWDGAFQWSA-N 1 0 211.305 0.465 20 30 BCEDRO C#CCCS(=O)(=O)N[C@@H]1CCCN(C)C1 ZINC000710959143 712268168 /nfs/dbraw/zinc/26/81/68/712268168.db2.gz TVBGCMCPJRHJQF-SNVBAGLBSA-N 1 0 230.333 0.023 20 30 BCEDRO C#CCCS(=O)(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000711065846 712278252 /nfs/dbraw/zinc/27/82/52/712278252.db2.gz XKAAGDWJOPVIJA-NSHDSACASA-N 1 0 244.360 0.413 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CC2)C1 ZINC001079334917 712347141 /nfs/dbraw/zinc/34/71/41/712347141.db2.gz MEHFLZWELJGKAT-MWLCHTKSSA-N 1 0 206.289 0.466 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@H](O)CC1 ZINC000378752040 712359200 /nfs/dbraw/zinc/35/92/00/712359200.db2.gz VMTITDNMKVSFEQ-QWRGUYRKSA-N 1 0 212.293 0.762 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)C(C)(C)OC ZINC000378778317 712360770 /nfs/dbraw/zinc/36/07/70/712360770.db2.gz IMFIHTVHNQNJOB-SNVBAGLBSA-N 1 0 226.320 0.529 20 30 BCEDRO C[C@@H]([NH2+]CCOCCC#N)c1cn[nH]c1 ZINC000378862234 712364106 /nfs/dbraw/zinc/36/41/06/712364106.db2.gz SNVLWHKFVATVSM-SECBINFHSA-N 1 0 208.265 0.991 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+]CC1CC1 ZINC000379393578 712381618 /nfs/dbraw/zinc/38/16/18/712381618.db2.gz VDDSKRHUZAAYMZ-UHFFFAOYSA-N 1 0 203.307 0.587 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1cccc(C#N)c1 ZINC000379643696 712390883 /nfs/dbraw/zinc/39/08/83/712390883.db2.gz KJORPAPZOHDVJE-UHFFFAOYSA-N 1 0 201.233 0.765 20 30 BCEDRO CS(=O)(=O)CC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000379577355 712393391 /nfs/dbraw/zinc/39/33/91/712393391.db2.gz QLIVDKKUQTWNKM-DTWKUNHWSA-N 1 0 216.306 0.313 20 30 BCEDRO Cc1cc(NC[C@@H]2CC[N@H+]2C)c(C#N)cn1 ZINC000712593547 712435589 /nfs/dbraw/zinc/43/55/89/712435589.db2.gz ZHNGWOSIPVQVLN-NSHDSACASA-N 1 0 216.288 0.800 20 30 BCEDRO CN1CC[C@H]1C[NH2+]Cc1nc(C#N)cs1 ZINC000712557791 712445240 /nfs/dbraw/zinc/44/52/40/712445240.db2.gz NSYORKOVWGRGTB-VIFPVBQESA-N 1 0 222.317 0.808 20 30 BCEDRO N#Cc1ccc(F)c(C[NH2+]CCC(N)=O)c1 ZINC000036747342 712489249 /nfs/dbraw/zinc/48/92/49/712489249.db2.gz BLQRJEHIIBQNIO-UHFFFAOYSA-N 1 0 221.235 0.662 20 30 BCEDRO CC[C@](C)(C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000715842929 712532830 /nfs/dbraw/zinc/53/28/30/712532830.db2.gz NRCDLAIEIAVCHE-LLVKDONJSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C12CC[NH+](CC1)C2 ZINC000715866910 712538199 /nfs/dbraw/zinc/53/81/99/712538199.db2.gz XHOVDIFGNJMXRI-LLVKDONJSA-N 1 0 238.331 0.526 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)C(F)(F)F ZINC000716340611 712555390 /nfs/dbraw/zinc/55/53/90/712555390.db2.gz NXOWTOVLEISYFM-YUMQZZPRSA-N 1 0 225.210 0.538 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C1CC[NH+](C)CC1 ZINC000716799703 712574754 /nfs/dbraw/zinc/57/47/54/712574754.db2.gz NALOTCDWXANMQN-LBPRGKRZSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CC[C@@H](COC)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000716828424 712577160 /nfs/dbraw/zinc/57/71/60/712577160.db2.gz LBWYTRHFRRBAHP-AAEUAGOBSA-N 1 0 240.347 0.069 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cnccn1 ZINC000716929338 712596528 /nfs/dbraw/zinc/59/65/28/712596528.db2.gz RLUXTVGUWXTMPN-SNVBAGLBSA-N 1 0 205.261 0.605 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@H]1CCCNC(=O)C1 ZINC000716956187 712600041 /nfs/dbraw/zinc/60/00/41/712600041.db2.gz GYBZKANPVAHCFN-WDEREUQCSA-N 1 0 224.304 0.283 20 30 BCEDRO C#CCNC(=O)C[N@H+](CC)C[C@H](C)OC ZINC000379853003 712616848 /nfs/dbraw/zinc/61/68/48/712616848.db2.gz KYWVYWGWLPAKAD-JTQLQIEISA-N 1 0 212.293 0.093 20 30 BCEDRO C[C@@H](C#N)OCCN1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000379905793 712623967 /nfs/dbraw/zinc/62/39/67/712623967.db2.gz IBKBQFVXUOMOCL-GARJFASQSA-N 1 0 209.293 0.066 20 30 BCEDRO C=CCC1(O)CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000717404296 712655784 /nfs/dbraw/zinc/65/57/84/712655784.db2.gz FPQBYDDYKDLJCL-GFCCVEGCSA-N 1 0 241.331 0.805 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+][C@@H](CO)C1CCC1 ZINC000717617881 712662902 /nfs/dbraw/zinc/66/29/02/712662902.db2.gz JYVPXWSNUBHDCG-ONGXEEELSA-N 1 0 212.293 0.666 20 30 BCEDRO Cc1cc(NCC#CC[NH+](C)C)ncn1 ZINC000717689514 712665018 /nfs/dbraw/zinc/66/50/18/712665018.db2.gz DXGJWIMLEWFUFI-UHFFFAOYSA-N 1 0 204.277 0.762 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCCNC(=O)C1 ZINC000717741797 712668418 /nfs/dbraw/zinc/66/84/18/712668418.db2.gz ZEIWIVLEMGWXJC-WDEREUQCSA-N 1 0 224.304 0.019 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1cn(C)cn1 ZINC000380008422 712669660 /nfs/dbraw/zinc/66/96/60/712669660.db2.gz QLHLKRQRDVQAPA-JTQLQIEISA-N 1 0 209.293 0.694 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)c1cccc(F)c1 ZINC000717785188 712676182 /nfs/dbraw/zinc/67/61/82/712676182.db2.gz BUCDMXQHNKEJAS-STQMWFEESA-N 1 0 237.274 0.833 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CCOC[C@H]1C ZINC000717795935 712678178 /nfs/dbraw/zinc/67/81/78/712678178.db2.gz WJMOAEXZEKABNT-IJLUTSLNSA-N 1 0 211.305 0.775 20 30 BCEDRO CC#CCN(C)Cc1[nH]nc2c1COCC2 ZINC000930590138 712713024 /nfs/dbraw/zinc/71/30/24/712713024.db2.gz RKQLFQYRDNNNGD-UHFFFAOYSA-N 1 0 219.288 0.938 20 30 BCEDRO CCNC(NC1CC(CC(N)=O)C1)=[NH+]CC ZINC000718442792 712762287 /nfs/dbraw/zinc/76/22/87/712762287.db2.gz JWXLZRSXNZHXJR-UHFFFAOYSA-N 1 0 226.324 0.215 20 30 BCEDRO C[C@@H]1[C@H](Nc2ncncc2C#N)CC[N@@H+]1C ZINC000719605365 712816266 /nfs/dbraw/zinc/81/62/66/712816266.db2.gz XUWNIZISJMOQMP-PSASIEDQSA-N 1 0 217.276 0.275 20 30 BCEDRO CC(C)(O)[C@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000719641276 712819770 /nfs/dbraw/zinc/81/97/70/712819770.db2.gz ZYNRCRFKFQYTPR-JTQLQIEISA-N 1 0 239.319 0.109 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C(=O)C(C)(C)C)C1 ZINC000967995791 712897385 /nfs/dbraw/zinc/89/73/85/712897385.db2.gz JGMJTXWYNIJXHZ-SNVBAGLBSA-N 1 0 238.331 0.978 20 30 BCEDRO C#C[C@H](NC1CC[NH+](C)CC1)[C@H]1CCCO1 ZINC000381466933 710641622 /nfs/dbraw/zinc/64/16/22/710641622.db2.gz MYCYJUSFHJUMFE-QWHCGFSZSA-N 1 0 222.332 0.851 20 30 BCEDRO C#C[C@@H](NC1CC[NH+](C)CC1)[C@@H]1CCCO1 ZINC000381466932 710641632 /nfs/dbraw/zinc/64/16/32/710641632.db2.gz MYCYJUSFHJUMFE-OLZOCXBDSA-N 1 0 222.332 0.851 20 30 BCEDRO CC/C=C(\C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000381499615 710647713 /nfs/dbraw/zinc/64/77/13/710647713.db2.gz CBXLDTLLKFSJKZ-GNKRQNHBSA-N 1 0 207.277 0.570 20 30 BCEDRO C#C[C@H]([NH2+]CCC(=O)N(C)C)[C@@H]1CCCO1 ZINC000381504634 710648200 /nfs/dbraw/zinc/64/82/00/710648200.db2.gz JGGKJUWNADVLLU-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO C#C[C@@H]([NH2+]CCn1cncn1)[C@H]1CCCO1 ZINC000381542040 710652710 /nfs/dbraw/zinc/65/27/10/710652710.db2.gz JCYGEIUZVUHHSS-GHMZBOCLSA-N 1 0 220.276 0.049 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)[C@@H]1CCCO1 ZINC001038029374 712899521 /nfs/dbraw/zinc/89/95/21/712899521.db2.gz ZPDGBSOXGMRDRS-QWRGUYRKSA-N 1 0 224.304 0.542 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]c(=O)c2)C1 ZINC001018703412 710668274 /nfs/dbraw/zinc/66/82/74/710668274.db2.gz QFWXTOBIUIGOJX-NSHDSACASA-N 1 0 247.298 0.777 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2=CCCC2)C1 ZINC001018708137 710668289 /nfs/dbraw/zinc/66/82/89/710668289.db2.gz AUUBQXHLVVIJRO-LBPRGKRZSA-N 1 0 218.300 0.920 20 30 BCEDRO CC(=O)N1CCC[N@@H+](CCO[C@H](C)C#N)CC1 ZINC000384150519 710670562 /nfs/dbraw/zinc/67/05/62/710670562.db2.gz PVXQZHXCRVMKRV-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO CC(C)(C)CC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000393737166 710671453 /nfs/dbraw/zinc/67/14/53/710671453.db2.gz AMSQXZOXCMQJLM-IUCAKERBSA-N 1 0 209.293 0.650 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)c1cc[nH]c1 ZINC001038289859 710682725 /nfs/dbraw/zinc/68/27/25/710682725.db2.gz QVWHYRJVGXWVSY-LBPRGKRZSA-N 1 0 231.299 0.842 20 30 BCEDRO C#CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC001038416767 710685648 /nfs/dbraw/zinc/68/56/48/710685648.db2.gz LLMFEHUMMGUXDL-OLZOCXBDSA-N 1 0 249.358 0.294 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)[C@@H]1CC[N@@H+](C)C1 ZINC001039016735 710717343 /nfs/dbraw/zinc/71/73/43/710717343.db2.gz KNQJCGVHFXUUHO-NEPJUHHUSA-N 1 0 237.347 0.315 20 30 BCEDRO CC#CCN1CC[C@@H]1CNC(=O)[C@@H]1CC[N@H+](C)C1 ZINC001039027154 710718133 /nfs/dbraw/zinc/71/81/33/710718133.db2.gz JDAKWVLZPMYRPT-CHWSQXEVSA-N 1 0 249.358 0.152 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1ccn(C)n1 ZINC001039019882 710718323 /nfs/dbraw/zinc/71/83/23/710718323.db2.gz TYZKZNVLTCEYFR-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C#CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C(C)=O ZINC001039314405 710724585 /nfs/dbraw/zinc/72/45/85/710724585.db2.gz VBRDBEAHTHWHSH-NEPJUHHUSA-N 1 0 206.289 0.705 20 30 BCEDRO CO[C@@H]1CCOC[C@H]1[NH2+]CCO[C@H](C)C#N ZINC000724887502 710747993 /nfs/dbraw/zinc/74/79/93/710747993.db2.gz SEINWZKMBDVDJI-GMTAPVOTSA-N 1 0 228.292 0.309 20 30 BCEDRO C#CC[N@H+]1CCC[C@@]2(CCN(C(C)=O)C2)C1 ZINC001040026053 710757089 /nfs/dbraw/zinc/75/70/89/710757089.db2.gz ZSPKSJKEUACXOQ-CYBMUJFWSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2CCN(C(=O)COC)C[C@H]21 ZINC001041871761 710771602 /nfs/dbraw/zinc/77/16/02/710771602.db2.gz FTHQSQONCRFEDG-VXGBXAGGSA-N 1 0 236.315 0.189 20 30 BCEDRO CC#CCN1CC(N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001042538138 710791364 /nfs/dbraw/zinc/79/13/64/710791364.db2.gz FEURRSIWEGSVMP-CYBMUJFWSA-N 1 0 249.358 0.247 20 30 BCEDRO COC(=O)CC(C)(C)[NH2+]CCOCCC#N ZINC000382154191 710800651 /nfs/dbraw/zinc/80/06/51/710800651.db2.gz QTDGIKSZIMLGHJ-UHFFFAOYSA-N 1 0 228.292 0.848 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CCN1CCNC1=O ZINC000384186656 710812057 /nfs/dbraw/zinc/81/20/57/710812057.db2.gz SQJFDKAOFWZDCR-LLVKDONJSA-N 1 0 209.293 0.403 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N1CCOCC1 ZINC000384190592 710814233 /nfs/dbraw/zinc/81/42/33/710814233.db2.gz GXHZNDLICUQXLQ-GFCCVEGCSA-N 1 0 224.304 0.237 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)CO[C@@H](C)COC ZINC000384193566 710814486 /nfs/dbraw/zinc/81/44/86/710814486.db2.gz IIPNIRFUBYWBSE-YNEHKIRRSA-N 1 0 243.347 0.790 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)CO[C@H](C)COC ZINC000384193563 710814891 /nfs/dbraw/zinc/81/48/91/710814891.db2.gz IIPNIRFUBYWBSE-FRRDWIJNSA-N 1 0 243.347 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cocn2)[C@H](C)C1 ZINC001044490426 710828623 /nfs/dbraw/zinc/82/86/23/710828623.db2.gz PHWDDPBEOWXFLQ-GHMZBOCLSA-N 1 0 247.298 0.891 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)C2CC2)C1 ZINC001046092693 710848585 /nfs/dbraw/zinc/84/85/85/710848585.db2.gz NGXSAVWTTCXEEV-LBPRGKRZSA-N 1 0 206.289 0.610 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cnn(C)c2)C1 ZINC001046118323 710849759 /nfs/dbraw/zinc/84/97/59/710849759.db2.gz FMSWKUBCZDOXJF-CYBMUJFWSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2cnn(C)c2)C1 ZINC001046118324 710851178 /nfs/dbraw/zinc/85/11/78/710851178.db2.gz FMSWKUBCZDOXJF-ZDUSSCGKSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2cn[nH]c2)C1 ZINC001046161826 710853327 /nfs/dbraw/zinc/85/33/27/710853327.db2.gz BTNFGPHCEJKXEB-LBPRGKRZSA-N 1 0 234.303 0.790 20 30 BCEDRO C#CCN1CC[C@](C)(NC(=O)c2cscn2)C1 ZINC001046181337 710854054 /nfs/dbraw/zinc/85/40/54/710854054.db2.gz SGMZDGXANBUIIF-LBPRGKRZSA-N 1 0 249.339 0.971 20 30 BCEDRO CC#CC[N@@H+]1CC[C@](C)(NC(=O)c2ncc[nH]2)C1 ZINC001046306877 710858320 /nfs/dbraw/zinc/85/83/20/710858320.db2.gz XFKRIKAPKHBEMK-ZDUSSCGKSA-N 1 0 246.314 0.627 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cncnc2)C1 ZINC001046264344 710859163 /nfs/dbraw/zinc/85/91/63/710859163.db2.gz QBAMKFZPXBHFLK-CYBMUJFWSA-N 1 0 246.314 0.857 20 30 BCEDRO C=CC[N@H+]1CC[C@@](C)(NC(=O)c2cnnn2C)C1 ZINC001046284555 710859552 /nfs/dbraw/zinc/85/95/52/710859552.db2.gz UIMVAWUNUPTVAS-GFCCVEGCSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CCC[N@H+]1CC[C@@](C)(NC(=O)c2cnco2)C1 ZINC001046519701 710861916 /nfs/dbraw/zinc/86/19/16/710861916.db2.gz JMNRTEQZQZUQRF-CYBMUJFWSA-N 1 0 247.298 0.892 20 30 BCEDRO C=CCC[N@@H+]1C[C@H](O)[C@@H](N(C)C(=O)C2CC2)C1 ZINC001047279615 710869963 /nfs/dbraw/zinc/86/99/63/710869963.db2.gz RKXXXSFLWFYWFA-RYUDHWBXSA-N 1 0 238.331 0.476 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)c3ccon3)C[C@H]2C1 ZINC001048694501 710886612 /nfs/dbraw/zinc/88/66/12/710886612.db2.gz PTSRVJXAOMWUFF-PHIMTYICSA-N 1 0 245.282 0.312 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001049999095 710905566 /nfs/dbraw/zinc/90/55/66/710905566.db2.gz SWLSAQVKVDBRNP-RWMBFGLXSA-N 1 0 245.326 0.702 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCCN(C(=O)C3CC3)[C@@H]2C1 ZINC001049945293 710905720 /nfs/dbraw/zinc/90/57/20/710905720.db2.gz AHVJRLVNIWPFCX-QWHCGFSZSA-N 1 0 232.327 0.952 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C2CC2)C[C@H]1C ZINC001054310165 710927331 /nfs/dbraw/zinc/92/73/31/710927331.db2.gz AJLWUNILGRBNRA-KOLCDFICSA-N 1 0 206.289 0.466 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C2CC2)C[C@@H]1C ZINC001054310167 710927461 /nfs/dbraw/zinc/92/74/61/710927461.db2.gz AJLWUNILGRBNRA-ONGXEEELSA-N 1 0 206.289 0.466 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)CCC)C[C@H]1C ZINC001054325254 710929825 /nfs/dbraw/zinc/92/98/25/710929825.db2.gz YMEOTFOGPNBGCF-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cnn(C)c2)C[C@H]1C ZINC001054374699 710931687 /nfs/dbraw/zinc/93/16/87/710931687.db2.gz SFRKPKZDOPEFMC-PWSUYJOCSA-N 1 0 246.314 0.103 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@H]1C ZINC001054431900 710934777 /nfs/dbraw/zinc/93/47/77/710934777.db2.gz XVPQMUBEWQIYEP-MWLCHTKSSA-N 1 0 235.287 0.911 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2ccon2)C[C@@H]1C ZINC001054431891 710934858 /nfs/dbraw/zinc/93/48/58/710934858.db2.gz XVPQMUBEWQIYEP-GXSJLCMTSA-N 1 0 235.287 0.911 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C ZINC001054502578 710935928 /nfs/dbraw/zinc/93/59/28/710935928.db2.gz UHJIBFVRGHGQEE-PWSUYJOCSA-N 1 0 248.330 0.575 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1C ZINC001054498790 710936260 /nfs/dbraw/zinc/93/62/60/710936260.db2.gz DNQDLOUGTCSJMX-CMPLNLGQSA-N 1 0 246.314 0.022 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(C)n[nH]2)C[C@@H]1C ZINC001054471741 710936340 /nfs/dbraw/zinc/93/63/40/710936340.db2.gz YXPCSUQABQZZOY-JOYOIKCWSA-N 1 0 246.314 0.401 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C ZINC001054622545 710939355 /nfs/dbraw/zinc/93/93/55/710939355.db2.gz OWSYCXUGKYAGFA-WDEREUQCSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)CC(C)(C)O)C[C@H]1C ZINC001054622540 710939400 /nfs/dbraw/zinc/93/94/00/710939400.db2.gz OWSYCXUGKYAGFA-GHMZBOCLSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)Cc2ccoc2)C[C@H]1C ZINC001054601375 710939613 /nfs/dbraw/zinc/93/96/13/710939613.db2.gz XTOYNICANQPCIY-YPMHNXCESA-N 1 0 246.310 0.892 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@@H]1C ZINC001054953469 710942145 /nfs/dbraw/zinc/94/21/45/710942145.db2.gz FNIQOHALQRKOAM-JOYOIKCWSA-N 1 0 246.314 0.401 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2c[nH]nc2C)C[C@H]1C ZINC001054953467 710942268 /nfs/dbraw/zinc/94/22/68/710942268.db2.gz FNIQOHALQRKOAM-BXKDBHETSA-N 1 0 246.314 0.401 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cnco2)C[C@H]1C ZINC001054947050 710942479 /nfs/dbraw/zinc/94/24/79/710942479.db2.gz WDLUAKZQQZYGTG-ZJUUUORDSA-N 1 0 233.271 0.358 20 30 BCEDRO CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@@H](C)C#N)CCO1 ZINC001051488616 710957678 /nfs/dbraw/zinc/95/76/78/710957678.db2.gz PDLAURQFMFBXGU-WDEREUQCSA-N 1 0 239.319 0.371 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn[nH]n2)CC1 ZINC001052517940 710964743 /nfs/dbraw/zinc/96/47/43/710964743.db2.gz CJRYGOGFEYKUPM-SNVBAGLBSA-N 1 0 247.302 0.022 20 30 BCEDRO C#CC[N@@H+](CC)C[C@@H](O)CC(=O)OCC ZINC000382542145 710973176 /nfs/dbraw/zinc/97/31/76/710973176.db2.gz VNYPGZKAJPURQN-JTQLQIEISA-N 1 0 213.277 0.256 20 30 BCEDRO CC[N@H+](CCOCCC#N)CCC(=O)OC ZINC000385173389 711007112 /nfs/dbraw/zinc/00/71/12/711007112.db2.gz ACXDXYYWTMFSJS-UHFFFAOYSA-N 1 0 228.292 0.802 20 30 BCEDRO CN(CCOCCC#N)C[C@H]1CCC[N@@H+]1C ZINC000385173933 711007262 /nfs/dbraw/zinc/00/72/62/711007262.db2.gz BUYBQIMGBUGYRW-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO N#CCCOCC[N@H+]1CCCC[C@@H]1CO ZINC000385229548 711008214 /nfs/dbraw/zinc/00/82/14/711008214.db2.gz NLYSBPCRZKOUIK-LLVKDONJSA-N 1 0 212.293 0.763 20 30 BCEDRO CCC(CC)[C@@H](O)CNC(NC)=[NH+]C ZINC000386361851 711027612 /nfs/dbraw/zinc/02/76/12/711027612.db2.gz ZNBXUYCNNWOHPN-VIFPVBQESA-N 1 0 201.314 0.578 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1CCCC[C@H]1C ZINC000389615778 711082552 /nfs/dbraw/zinc/08/25/52/711082552.db2.gz GLXCGAVTVZCNKV-GHMZBOCLSA-N 1 0 208.305 0.904 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H](CO)C(C)(C)C ZINC000389687788 711086999 /nfs/dbraw/zinc/08/69/99/711086999.db2.gz GWDAZLMYNHTLIY-ZJUUUORDSA-N 1 0 214.309 0.912 20 30 BCEDRO C#CCCC[NH2+][C@H](CO)C1CCOCC1 ZINC000389938129 711099377 /nfs/dbraw/zinc/09/93/77/711099377.db2.gz NSVVWNHJFGNXSE-GFCCVEGCSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cc(C)cnn1 ZINC000392856184 711153836 /nfs/dbraw/zinc/15/38/36/711153836.db2.gz KNHGCRUZMRDPNP-UHFFFAOYSA-N 1 0 218.304 0.574 20 30 BCEDRO CSCCON=Cc1cnn(C)c1N ZINC000393443080 711159082 /nfs/dbraw/zinc/15/90/82/711159082.db2.gz PKTGXNAJAMYVOZ-UHFFFAOYSA-N 1 0 214.294 0.716 20 30 BCEDRO C#CCCC[NH+]1CCN(C(=O)N(C)C)CC1 ZINC000393642845 711167776 /nfs/dbraw/zinc/16/77/76/711167776.db2.gz XSVLAZXWJMKBQB-UHFFFAOYSA-N 1 0 223.320 0.699 20 30 BCEDRO C#CCNC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000393775718 711173958 /nfs/dbraw/zinc/17/39/58/711173958.db2.gz KKJAZDDTWDCREJ-NSHDSACASA-N 1 0 223.320 0.792 20 30 BCEDRO C=CCC[N@H+]1C[C@@H](NC(=O)C(N)=O)CC[C@H]1C ZINC001071789530 711202818 /nfs/dbraw/zinc/20/28/18/711202818.db2.gz VFZKXNQZHKTOHQ-ZJUUUORDSA-N 1 0 239.319 0.017 20 30 BCEDRO CCNC(NC[C@]1(OC)CCOC1)=[NH+]CC ZINC000395585699 711213587 /nfs/dbraw/zinc/21/35/87/711213587.db2.gz XOZYQGVNAHFGGP-LLVKDONJSA-N 1 0 229.324 0.367 20 30 BCEDRO CCNC(NC[C@@H]1CC[C@@H](O)C1)=[NH+]CC ZINC000395629694 711214156 /nfs/dbraw/zinc/21/41/56/711214156.db2.gz OMPSQYUEIACXRD-NXEZZACHSA-N 1 0 213.325 0.722 20 30 BCEDRO CCNC(NCCN(C)C1CC1)=[NH+]CC ZINC000395640781 711214591 /nfs/dbraw/zinc/21/45/91/711214591.db2.gz UBLOYJQELJLGMR-UHFFFAOYSA-N 1 0 212.341 0.656 20 30 BCEDRO N#C[C@H]1CCC[N@@H+](CC[C@@H]2CCNC2=O)C1 ZINC000395844262 711217072 /nfs/dbraw/zinc/21/70/72/711217072.db2.gz JSIMEIZFVWVBFJ-MNOVXSKESA-N 1 0 221.304 0.748 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@](C)(CC)C1 ZINC000399385273 711428923 /nfs/dbraw/zinc/42/89/23/711428923.db2.gz QRGBFPASHZDQLE-LBPRGKRZSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)[C@@H]3CC34CC4)C2)C1 ZINC001073012423 711430502 /nfs/dbraw/zinc/43/05/02/711430502.db2.gz QGLYNVJYYOEZJJ-LBPRGKRZSA-N 1 0 244.338 0.954 20 30 BCEDRO CC#CC[N@@H+]1CCCO[C@@H](CNC(C)=O)C1 ZINC001073505879 711440378 /nfs/dbraw/zinc/44/03/78/711440378.db2.gz IZKJXVSWADJGBL-LBPRGKRZSA-N 1 0 224.304 0.237 20 30 BCEDRO CC(=[NH+]NC[C@H](C)O)c1ccc(N)nc1 ZINC000393456808 710605724 /nfs/dbraw/zinc/60/57/24/710605724.db2.gz DZJUJTLNTKNARB-ZETCQYMHSA-N 1 0 208.265 0.189 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnc[nH]c2=O)C1 ZINC001014867558 710612171 /nfs/dbraw/zinc/61/21/71/710612171.db2.gz GCWJNFVUAUQVEF-SECBINFHSA-N 1 0 248.286 0.172 20 30 BCEDRO C#CCN1CC[C@@H]2CCN(C(=O)C(F)F)C[C@H]21 ZINC001041877391 710771255 /nfs/dbraw/zinc/77/12/55/710771255.db2.gz CZQVIXCGCDXIFC-NXEZZACHSA-N 1 0 242.269 0.808 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC001044660414 710829164 /nfs/dbraw/zinc/82/91/64/710829164.db2.gz VZSTVYZHZABLFB-UWVGGRQHSA-N 1 0 249.318 0.573 20 30 BCEDRO C#C[C@](C)(CC)NC[C@H](O)C[NH+]1CCCC1 ZINC000384227109 710836454 /nfs/dbraw/zinc/83/64/54/710836454.db2.gz VRVIWPGYGAQIPN-QWHCGFSZSA-N 1 0 224.348 0.835 20 30 BCEDRO C[C@@H](C#N)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000900401574 710843740 /nfs/dbraw/zinc/84/37/40/710843740.db2.gz XMIBKZLECQLPEH-IUCAKERBSA-N 1 0 209.293 0.887 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)C3(C)CC3)C[C@H]2C1 ZINC001048831883 710888914 /nfs/dbraw/zinc/88/89/14/710888914.db2.gz KPVGFHICYVOUJU-TXEJJXNPSA-N 1 0 232.327 0.810 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc(C)no2)C[C@@H]1C ZINC001054378633 710933182 /nfs/dbraw/zinc/93/31/82/710933182.db2.gz XQMGVYCYSSFMIF-ONGXEEELSA-N 1 0 247.298 0.666 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C(C)C)C[C@@H]1C ZINC001054398059 710933470 /nfs/dbraw/zinc/93/34/70/710933470.db2.gz IYPZACMECJPQBK-QWRGUYRKSA-N 1 0 208.305 0.712 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cccn2C)C[C@H]1C ZINC001054396277 710933609 /nfs/dbraw/zinc/93/36/09/710933609.db2.gz OXKLAHOGNPTDDQ-NEPJUHHUSA-N 1 0 245.326 0.708 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc[nH]n2)C[C@H]1C ZINC001054415258 710933933 /nfs/dbraw/zinc/93/39/33/710933933.db2.gz NEBBACAHLCCRSL-MWLCHTKSSA-N 1 0 232.287 0.093 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C2(C)CC2)C[C@@H]1C ZINC001054670728 710941684 /nfs/dbraw/zinc/94/16/84/710941684.db2.gz INECSWIOOBJJTE-QWRGUYRKSA-N 1 0 220.316 0.856 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CN(C(=O)c2cn[nH]n2)C[C@@H]1C ZINC001054843730 710941723 /nfs/dbraw/zinc/94/17/23/710941723.db2.gz BUEOAMZNCPFMCT-ONGXEEELSA-N 1 0 249.318 0.431 20 30 BCEDRO CNC(NCC(C)(C)CCCO)=[NH+]C ZINC000385973833 711021313 /nfs/dbraw/zinc/02/13/13/711021313.db2.gz HEAYRJYOFAOVII-UHFFFAOYSA-N 1 0 201.314 0.580 20 30 BCEDRO Cn1cc(CNCC#Cc2ccccc2)nn1 ZINC000389834885 711090329 /nfs/dbraw/zinc/09/03/29/711090329.db2.gz MOCTWESKLKECBF-UHFFFAOYSA-N 1 0 226.283 0.956 20 30 BCEDRO C#CC[N@H+]1CC[C@H](c2n[nH]cc2CNC(C)=O)C1 ZINC001070389000 711137310 /nfs/dbraw/zinc/13/73/10/711137310.db2.gz WXKLEEXDDHNKIU-NSHDSACASA-N 1 0 246.314 0.468 20 30 BCEDRO CCNC(NCCC1(O)CCC1)=[NH+]CC ZINC000397742157 711390401 /nfs/dbraw/zinc/39/04/01/711390401.db2.gz LAPSJUHRWPHQBB-UHFFFAOYSA-N 1 0 213.325 0.867 20 30 BCEDRO C=CC[N@@H+]1CCCO[C@H](CNC(=O)C2CC2)C1 ZINC001073499857 711439684 /nfs/dbraw/zinc/43/96/84/711439684.db2.gz XWHHZMHEEOQVBY-GFCCVEGCSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CC23CC3)[C@H]1C ZINC001074915596 711444445 /nfs/dbraw/zinc/44/44/45/711444445.db2.gz PFMGZQLPRQCDIM-TUAOUCFPSA-N 1 0 232.327 0.999 20 30 BCEDRO C=CCCS(=O)(=O)N1CCCC[C@H]1C[NH2+]C ZINC000710935596 711452056 /nfs/dbraw/zinc/45/20/56/711452056.db2.gz WKTATCVQPXGTNW-NSHDSACASA-N 1 0 246.376 0.966 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@]1(C)CO ZINC000723049272 711498016 /nfs/dbraw/zinc/49/80/16/711498016.db2.gz SUHFGUUGVKVBAT-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2C[C@H]2OCC)C1 ZINC001021856902 711507049 /nfs/dbraw/zinc/50/70/49/711507049.db2.gz PRGBDVPORVTKEP-WHOHXGKFSA-N 1 0 236.315 0.281 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC001022047773 711523131 /nfs/dbraw/zinc/52/31/31/711523131.db2.gz BFYRUDMODYKNHW-AOOOYVTPSA-N 1 0 232.287 0.202 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H]1CNC(=O)c1cnnn1C ZINC001038221524 711539709 /nfs/dbraw/zinc/53/97/09/711539709.db2.gz MPQYGNPULPUBNG-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccnnc2C)C1 ZINC001022369225 711550961 /nfs/dbraw/zinc/55/09/61/711550961.db2.gz BPTBCWRINMFQDE-PHIMTYICSA-N 1 0 244.298 0.269 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2ccco2)C1 ZINC001022876105 711600788 /nfs/dbraw/zinc/60/07/88/711600788.db2.gz ZAHOGLCTGFPVMP-PHIMTYICSA-N 1 0 232.283 0.692 20 30 BCEDRO CNC(NCCCN(C)CC(F)(F)F)=[NH+]C ZINC000161506654 711603204 /nfs/dbraw/zinc/60/32/04/711603204.db2.gz YGFJZIKAHDAIHA-UHFFFAOYSA-N 1 0 240.273 0.665 20 30 BCEDRO CC[N@H+](CCOCCO)Cc1cncc(C#N)c1 ZINC000721539201 711619809 /nfs/dbraw/zinc/61/98/09/711619809.db2.gz AKISCMVJCDDXSR-UHFFFAOYSA-N 1 0 249.314 0.784 20 30 BCEDRO C[C@]1(O)CC[N@H+](Cc2cncc(C#N)c2)C1 ZINC000721539678 711620697 /nfs/dbraw/zinc/62/06/97/711620697.db2.gz IDDTYFCGRGRQON-LBPRGKRZSA-N 1 0 217.272 0.910 20 30 BCEDRO C[C@H]1C[C@H](O)C[N@@H+]1Cc1cncc(C#N)c1 ZINC000721556339 711624372 /nfs/dbraw/zinc/62/43/72/711624372.db2.gz KSAZQLFDYYTXTR-CABZTGNLSA-N 1 0 217.272 0.908 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2cnn(C)n2)C1 ZINC000972544272 711624653 /nfs/dbraw/zinc/62/46/53/711624653.db2.gz KFMNMCZKTJRGDX-JTQLQIEISA-N 1 0 249.318 0.147 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)C3CC3)[C@@H]2C1 ZINC001075472070 711644162 /nfs/dbraw/zinc/64/41/62/711644162.db2.gz KLHJLFURQZLCGW-NWDGAFQWSA-N 1 0 218.300 0.562 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@]3(CCC[NH2+]3)C2)C1=O ZINC000334981600 711719553 /nfs/dbraw/zinc/71/95/53/711719553.db2.gz UCYBSIHUAZGRAA-GXTWGEPZSA-N 1 0 249.358 0.601 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000334979111 711719646 /nfs/dbraw/zinc/71/96/46/711719646.db2.gz CNEVBXIXPPCJAU-NSHDSACASA-N 1 0 244.360 0.720 20 30 BCEDRO C[C@H]1C[N@H+](C)CC[C@H]1N(C)C(=O)NCCC#N ZINC000335250324 711720469 /nfs/dbraw/zinc/72/04/69/711720469.db2.gz VXKJYEPKXJEOGY-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO CNC(NCCOCC1CCCC1)=[NH+]C ZINC000313460796 711726461 /nfs/dbraw/zinc/72/64/61/711726461.db2.gz KKWIBHLRUMZVSW-UHFFFAOYSA-N 1 0 213.325 0.988 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cnco2)C1 ZINC001027512326 711730251 /nfs/dbraw/zinc/73/02/51/711730251.db2.gz MNUPJKHWDVWJTF-LLVKDONJSA-N 1 0 247.298 0.844 20 30 BCEDRO C#CCN(C)CCC[NH2+]CCCc1cnn(C)c1 ZINC000314384258 711738453 /nfs/dbraw/zinc/73/84/53/711738453.db2.gz RTFBVQFZLOREMF-UHFFFAOYSA-N 1 0 248.374 0.897 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CC[C@@](C)(CC)C1 ZINC000399385272 711747085 /nfs/dbraw/zinc/74/70/85/711747085.db2.gz QRGBFPASHZDQLE-GFCCVEGCSA-N 1 0 208.305 0.858 20 30 BCEDRO C#CCN1CC[C@H]1CNC(=O)[C@@H]1CCCCO1 ZINC001038154893 711753212 /nfs/dbraw/zinc/75/32/12/711753212.db2.gz QDRLQWHZXWTPAP-RYUDHWBXSA-N 1 0 236.315 0.379 20 30 BCEDRO C#CCN1CCCN(C(=O)Cc2cnoc2)CC1 ZINC000981808167 711756069 /nfs/dbraw/zinc/75/60/69/711756069.db2.gz VBHSJDHFXFWYQO-UHFFFAOYSA-N 1 0 247.298 0.385 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H](C)C#N)[C@@H]2C1 ZINC001075619691 711761111 /nfs/dbraw/zinc/76/11/11/711761111.db2.gz LSBCUNPLNVOTAJ-GRYCIOLGSA-N 1 0 231.299 0.312 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2conc2C)C1 ZINC001028775495 711767613 /nfs/dbraw/zinc/76/76/13/711767613.db2.gz PTPZQAZDLHOHPP-NSHDSACASA-N 1 0 247.298 0.668 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@@H]2CC23CC3)C1 ZINC001028829660 711767846 /nfs/dbraw/zinc/76/78/46/711767846.db2.gz UXKWYWYHLAPPQE-NEPJUHHUSA-N 1 0 232.327 0.858 20 30 BCEDRO CCCCNC(=[NH2+])NCCc1ccnn1C ZINC000305851742 711773015 /nfs/dbraw/zinc/77/30/15/711773015.db2.gz HEEFPSOZTVUSND-UHFFFAOYSA-N 1 0 223.324 0.667 20 30 BCEDRO OCCOCC[NH2+]CC#Cc1ccccc1 ZINC000052925083 711774949 /nfs/dbraw/zinc/77/49/49/711774949.db2.gz SQRIDKWFQPAJAL-UHFFFAOYSA-N 1 0 219.284 0.637 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cnc(C)[nH]1 ZINC001038108836 711795429 /nfs/dbraw/zinc/79/54/29/711795429.db2.gz FXYGTSSFFYTXEL-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)Cn2nccn2)C1 ZINC000988887696 711797446 /nfs/dbraw/zinc/79/74/46/711797446.db2.gz WPWODQJMNWYFMP-GHMZBOCLSA-N 1 0 249.318 0.043 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000989977886 711799121 /nfs/dbraw/zinc/79/91/21/711799121.db2.gz CJVIJQPDZBQMTQ-UHFFFAOYSA-N 1 0 232.287 0.237 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2cc[nH]n2)CC1 ZINC000989978662 711799131 /nfs/dbraw/zinc/79/91/31/711799131.db2.gz YZRJCLKHXRDKKW-UHFFFAOYSA-N 1 0 234.303 0.790 20 30 BCEDRO C=C(C)C[N@@H+]1C[C@@H](O)[C@H](NC(=O)C2CC2)C1 ZINC001076662556 711806857 /nfs/dbraw/zinc/80/68/57/711806857.db2.gz MQISEXBKSPXBHZ-GHMZBOCLSA-N 1 0 224.304 0.134 20 30 BCEDRO C#CCN1C[C@@H](O)[C@H](NC(=O)c2ccccc2)C1 ZINC001076690689 711808087 /nfs/dbraw/zinc/80/80/87/711808087.db2.gz PZMIPIWPENWRIW-CHWSQXEVSA-N 1 0 244.294 0.095 20 30 BCEDRO C=C(C)CC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001076757033 711808395 /nfs/dbraw/zinc/80/83/95/711808395.db2.gz RETPLVHUNKUEIL-VXGBXAGGSA-N 1 0 240.347 0.770 20 30 BCEDRO CC(C)(C#N)C[NH2+]C[C@H](O)C1(O)CCC1 ZINC000905202282 711812612 /nfs/dbraw/zinc/81/26/12/711812612.db2.gz GWRQATCCGWXJEF-VIFPVBQESA-N 1 0 212.293 0.402 20 30 BCEDRO C/C=C/C=C\C(=O)NCC#CC[NH+](C)C ZINC000913514646 711823364 /nfs/dbraw/zinc/82/33/64/711823364.db2.gz XOTXZTKVKOYUDB-WEHQGULRSA-N 1 0 206.289 0.800 20 30 BCEDRO CCO[C@@H]1[C@H](C)[C@@H]1C(=O)NCC#CC[NH+](C)C ZINC000913524439 711823369 /nfs/dbraw/zinc/82/33/69/711823369.db2.gz MQDIUNWXBGXTRC-GRYCIOLGSA-N 1 0 238.331 0.339 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1ccc(CO)cc1 ZINC000913515361 711823445 /nfs/dbraw/zinc/82/34/45/711823445.db2.gz ULNUOAZRTICWKO-UHFFFAOYSA-N 1 0 246.310 0.474 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1CC2(CC2)C1 ZINC000913524578 711823660 /nfs/dbraw/zinc/82/36/60/711823660.db2.gz SIVNLUSOFGWVJD-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO C[C@@H]([NH2+]C1CC1)C(=O)N(C)[C@@H](C)CC#N ZINC000382940720 711834168 /nfs/dbraw/zinc/83/41/68/711834168.db2.gz IPGOPOWJCLFUJJ-DTWKUNHWSA-N 1 0 209.293 0.887 20 30 BCEDRO C[C@H]([NH2+]C1CC1)C(=O)N(C)[C@@H](C)CC#N ZINC000382940721 711834198 /nfs/dbraw/zinc/83/41/98/711834198.db2.gz IPGOPOWJCLFUJJ-IUCAKERBSA-N 1 0 209.293 0.887 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)CC)[C@@H]1C ZINC000992931577 711861646 /nfs/dbraw/zinc/86/16/46/711861646.db2.gz SNJINJIMKTYYDE-WDEREUQCSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](NC(=O)CC)[C@@H]1C ZINC000992931576 711861878 /nfs/dbraw/zinc/86/18/78/711861878.db2.gz SNJINJIMKTYYDE-QWRGUYRKSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)c2cc(C)on2)C1 ZINC001031536243 711877397 /nfs/dbraw/zinc/87/73/97/711877397.db2.gz IXKBVAROGUPVRG-UHFFFAOYSA-N 1 0 247.298 0.668 20 30 BCEDRO C#CCC[N@H+]1CC[C@@]2(CCN(C(C)=O)C2)C1 ZINC001040967120 711902157 /nfs/dbraw/zinc/90/21/57/711902157.db2.gz YLOIACFHGWCYOD-CYBMUJFWSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CCN1C[C@@H]2C[C@H]1CN2C(=O)c1cc[nH]c1 ZINC001032414842 711917854 /nfs/dbraw/zinc/91/78/54/711917854.db2.gz JUHBGHMGTZYJPI-RYUDHWBXSA-N 1 0 229.283 0.547 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)CC(N)=O)C1 ZINC000998781048 711930823 /nfs/dbraw/zinc/93/08/23/711930823.db2.gz OQAAFJHBBDWXPB-JTQLQIEISA-N 1 0 239.319 0.019 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@]23C[C@H]2COC3)C1 ZINC000999204505 711932310 /nfs/dbraw/zinc/93/23/10/711932310.db2.gz UPVDYWIHLOIVNW-SCRDCRAPSA-N 1 0 248.326 0.237 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(C)=O)C12CCC2 ZINC001078514569 711943028 /nfs/dbraw/zinc/94/30/28/711943028.db2.gz SBTRKPVPFWJUTA-WDEREUQCSA-N 1 0 206.289 0.657 20 30 BCEDRO C=CCN(C1CC1)S(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000131773146 711946223 /nfs/dbraw/zinc/94/62/23/711946223.db2.gz LXZCXQKZUXZRJH-LLVKDONJSA-N 1 0 244.360 0.719 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1cc[nH]c(=O)c1 ZINC000921973286 711951162 /nfs/dbraw/zinc/95/11/62/711951162.db2.gz ONFRGEFPSKWLAX-UHFFFAOYSA-N 1 0 221.260 0.179 20 30 BCEDRO C#CC1(O)CC[NH+](CCCCCO)CC1 ZINC000708153091 711951892 /nfs/dbraw/zinc/95/18/92/711951892.db2.gz ZAYDCTBPOHKMPI-UHFFFAOYSA-N 1 0 211.305 0.609 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H]1CNC(=O)c1cn[nH]c1 ZINC001038085767 711955909 /nfs/dbraw/zinc/95/59/09/711955909.db2.gz HQVPVWCQEFBKCY-NSHDSACASA-N 1 0 234.303 0.790 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)c2cn[nH]c2)C1 ZINC001032932190 711968814 /nfs/dbraw/zinc/96/88/14/711968814.db2.gz PRXLTZOXLMOADK-LBPRGKRZSA-N 1 0 246.314 0.579 20 30 BCEDRO C[C@@H](CO)[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000037888809 711974322 /nfs/dbraw/zinc/97/43/22/711974322.db2.gz QSOBVKIVTUFGET-CABZTGNLSA-N 1 0 220.272 0.562 20 30 BCEDRO CN(C)C(=O)C[NH2+]C[C@H](O)c1ccc(C#N)cc1 ZINC000037886640 711974354 /nfs/dbraw/zinc/97/43/54/711974354.db2.gz CJCASTYGMNYINZ-LBPRGKRZSA-N 1 0 247.298 0.269 20 30 BCEDRO C#CCN1CC[C@H](N(C)C(=O)c2cnco2)C1 ZINC001033302791 711981588 /nfs/dbraw/zinc/98/15/88/711981588.db2.gz IWQPDGQFVDIZQS-JTQLQIEISA-N 1 0 233.271 0.454 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001033326117 711983590 /nfs/dbraw/zinc/98/35/90/711983590.db2.gz JLVJCYHLMFFYOI-IJLUTSLNSA-N 1 0 220.316 0.808 20 30 BCEDRO CNC(NC[C@@H]1Cc2ccccc2CO1)=[NH+]C ZINC000700274910 711988792 /nfs/dbraw/zinc/98/87/92/711988792.db2.gz ITTWVVAXZOJBTM-LBPRGKRZSA-N 1 0 233.315 0.923 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CC[C@@H](C)[C@@H](CO)C1 ZINC000700419173 711993193 /nfs/dbraw/zinc/99/31/93/711993193.db2.gz HWNJSPNEDOBFOB-IJLUTSLNSA-N 1 0 226.320 0.865 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cnn(C)n2)C1 ZINC001033504354 711995890 /nfs/dbraw/zinc/99/58/90/711995890.db2.gz GTIXVSFHFSQVEZ-JTQLQIEISA-N 1 0 249.318 0.147 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2ccncn2)C1 ZINC001033509324 711996674 /nfs/dbraw/zinc/99/66/74/711996674.db2.gz HKUHJVUBKSSIEQ-NSHDSACASA-N 1 0 246.314 0.809 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033516088 711999252 /nfs/dbraw/zinc/99/92/52/711999252.db2.gz PYQJAOTUQIKRBW-SNVBAGLBSA-N 1 0 249.318 0.527 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2nc[nH]n2)C1 ZINC001033516192 711999255 /nfs/dbraw/zinc/99/92/55/711999255.db2.gz RHZUEJLYHDIACA-SECBINFHSA-N 1 0 235.291 0.137 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)Cc2ncc[nH]2)C1 ZINC001033542790 712003519 /nfs/dbraw/zinc/00/35/19/712003519.db2.gz GSJUJCLOMKOPKZ-NSHDSACASA-N 1 0 246.314 0.118 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000701036757 712013007 /nfs/dbraw/zinc/01/30/07/712013007.db2.gz YZTAITBAQHMCRV-SVNGYHJRSA-N 1 0 238.331 0.526 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000701613498 712026006 /nfs/dbraw/zinc/02/60/06/712026006.db2.gz KKBOKEKNYUNJGQ-WCBMZHEXSA-N 1 0 232.711 0.622 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1ccc(C)c(C#N)c1 ZINC000701883860 712031938 /nfs/dbraw/zinc/03/19/38/712031938.db2.gz CFKJVBOWPOIPLI-CYBMUJFWSA-N 1 0 234.299 0.964 20 30 BCEDRO C#CC[NH2+][C@H]1CC[C@H](NC(=O)c2cnon2)CC1 ZINC001034758693 712086408 /nfs/dbraw/zinc/08/64/08/712086408.db2.gz NSNCOTCGALLYMS-MGCOHNPYSA-N 1 0 248.286 0.333 20 30 BCEDRO CC(C)(C[NH3+])NC(=O)Cc1ccc(C#N)cc1 ZINC000704663761 712112957 /nfs/dbraw/zinc/11/29/57/712112957.db2.gz BMYGNPQMBFOYPZ-UHFFFAOYSA-N 1 0 231.299 0.954 20 30 BCEDRO C[NH2+][C@H]1CCN(C(=O)Cc2ccc(C#N)cc2)C1 ZINC000704665422 712113848 /nfs/dbraw/zinc/11/38/48/712113848.db2.gz MNQGHHNBILCAIC-ZDUSSCGKSA-N 1 0 243.310 0.921 20 30 BCEDRO N#Cc1ccc(CC(=O)N[C@H]2CCC[NH2+]C2)cc1 ZINC000704666709 712114254 /nfs/dbraw/zinc/11/42/54/712114254.db2.gz YXPGGAADKYZLHL-ZDUSSCGKSA-N 1 0 243.310 0.969 20 30 BCEDRO OC[C@H]1C[N@H+](CC#Cc2ccccc2)C[C@H]1CO ZINC000705368813 712130842 /nfs/dbraw/zinc/13/08/42/712130842.db2.gz GETKQPWGIPEUGG-GASCZTMLSA-N 1 0 245.322 0.571 20 30 BCEDRO C#CCNC(=O)CN1C[C@]2(C)C[N@@H+](C)C[C@]2(C)C1 ZINC000705642669 712134321 /nfs/dbraw/zinc/13/43/21/712134321.db2.gz OOIZXUBFYMDHAF-OKILXGFUSA-N 1 0 249.358 0.009 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CSC)C[C@H]1C ZINC001035904563 712148901 /nfs/dbraw/zinc/14/89/01/712148901.db2.gz BPYMZNJEMQUQCI-GHMZBOCLSA-N 1 0 240.372 0.809 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2CCCC[C@@H]21 ZINC000706725597 712153460 /nfs/dbraw/zinc/15/34/60/712153460.db2.gz CARVPUIOKWIQOX-QWRGUYRKSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnon2)C[C@H]1C ZINC001036228222 712164699 /nfs/dbraw/zinc/16/46/99/712164699.db2.gz JBFAGTIDEZEPJM-ZJUUUORDSA-N 1 0 248.286 0.143 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@@H](C)[C@@H](C)[NH3+] ZINC000707286580 712168235 /nfs/dbraw/zinc/16/82/35/712168235.db2.gz FXRZKKAENXVUOG-VHSXEESVSA-N 1 0 242.319 0.547 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCNC(=O)CC1(C)C ZINC000708100500 712181216 /nfs/dbraw/zinc/18/12/16/712181216.db2.gz KVGHSRGCGNMUCV-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO C#CC1(O)CC[NH+]([C@@H]2CCCC[C@H]2O)CC1 ZINC000708116711 712181940 /nfs/dbraw/zinc/18/19/40/712181940.db2.gz QTIMXLWQBADYOD-VXGBXAGGSA-N 1 0 223.316 0.750 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@H](O)C(F)(F)F)CC1 ZINC000708121562 712182433 /nfs/dbraw/zinc/18/24/33/712182433.db2.gz FJIWXRXQJGDLBK-MRVPVSSYSA-N 1 0 237.221 0.370 20 30 BCEDRO C#CCNC(=O)C[N@H+](CC#C)C1CCCC1 ZINC000708456764 712194764 /nfs/dbraw/zinc/19/47/64/712194764.db2.gz JOHFHAJGOPNKCI-UHFFFAOYSA-N 1 0 218.300 0.614 20 30 BCEDRO C#CCCC[N@@H+](C)[C@H](C)CS(C)(=O)=O ZINC000708468472 712195710 /nfs/dbraw/zinc/19/57/10/712195710.db2.gz FIOPMLBIGGKNKY-SNVBAGLBSA-N 1 0 217.334 0.765 20 30 BCEDRO C#CC[N@H+]1CC[C@@H]2CN(C(=O)C3CC3)CC[C@@H]21 ZINC001036614156 712226071 /nfs/dbraw/zinc/22/60/71/712226071.db2.gz RDSAFFDMJVPDIV-OLZOCXBDSA-N 1 0 232.327 0.952 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2CN(C(=O)C3CC3)CC[C@H]21 ZINC001036614157 712226073 /nfs/dbraw/zinc/22/60/73/712226073.db2.gz RDSAFFDMJVPDIV-QWHCGFSZSA-N 1 0 232.327 0.952 20 30 BCEDRO COC[C@@H](CO)[NH2+][C@@H](C)CC(C)(C)C#N ZINC000709975831 712236690 /nfs/dbraw/zinc/23/66/90/712236690.db2.gz KZYCSSWEQAVDNS-VHSXEESVSA-N 1 0 214.309 0.912 20 30 BCEDRO COC[C@@H](CO)[NH2+][C@H](C)CC(C)(C)C#N ZINC000709975684 712236744 /nfs/dbraw/zinc/23/67/44/712236744.db2.gz KZYCSSWEQAVDNS-NXEZZACHSA-N 1 0 214.309 0.912 20 30 BCEDRO C#CC(=O)N1CCC[C@H]([NH+]2CCCC2)C1 ZINC000710309235 712251580 /nfs/dbraw/zinc/25/15/80/712251580.db2.gz YCMHYRINQVZKEQ-NSHDSACASA-N 1 0 206.289 0.706 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@H]1CCC1(OC)OC ZINC000710961997 712268951 /nfs/dbraw/zinc/26/89/51/712268951.db2.gz RVKFMTXTKDJXOD-UWVGGRQHSA-N 1 0 215.293 0.665 20 30 BCEDRO C#CCCS(=O)(=O)N(C)[C@H]1CCC[N@H+](C)C1 ZINC000711064528 712278042 /nfs/dbraw/zinc/27/80/42/712278042.db2.gz BEDSYKXRGMSKHZ-NSHDSACASA-N 1 0 244.360 0.366 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000923487902 712334277 /nfs/dbraw/zinc/33/42/77/712334277.db2.gz IQNXVRKSLZTWBO-QWRGUYRKSA-N 1 0 239.319 0.028 20 30 BCEDRO C#CCC[N@H+]1C[C@@H](C)[C@H](NC(=O)C(F)F)C1 ZINC001079331636 712346628 /nfs/dbraw/zinc/34/66/28/712346628.db2.gz FWJHWERMIDHEIR-RKDXNWHRSA-N 1 0 230.258 0.711 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnccn2)C1 ZINC001079372293 712347888 /nfs/dbraw/zinc/34/78/88/712347888.db2.gz RPNLMFUNOUOMEM-ZYHUDNBSSA-N 1 0 246.314 0.713 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)C2CCC2)C1 ZINC001079335325 712348433 /nfs/dbraw/zinc/34/84/33/712348433.db2.gz VVQYLEVYUIMYPV-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cccn2C)C1 ZINC001079431472 712348687 /nfs/dbraw/zinc/34/86/87/712348687.db2.gz QHKICNFZOBTSFR-VXGBXAGGSA-N 1 0 245.326 0.708 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCC[C@@H](O)CC1 ZINC000378752041 712358781 /nfs/dbraw/zinc/35/87/81/712358781.db2.gz VMTITDNMKVSFEQ-WDEREUQCSA-N 1 0 212.293 0.762 20 30 BCEDRO CC[C@@H](CO)[N@H+](C)CCO[C@@H](C)C#N ZINC000379068695 712369384 /nfs/dbraw/zinc/36/93/84/712369384.db2.gz YBHQCVIDDUQBGO-UWVGGRQHSA-N 1 0 200.282 0.618 20 30 BCEDRO CO[C@H](C)C[N@H+](C)CCO[C@H](C)C#N ZINC000379508461 712386785 /nfs/dbraw/zinc/38/67/85/712386785.db2.gz ORXJOSULDCLVMH-NXEZZACHSA-N 1 0 200.282 0.882 20 30 BCEDRO CS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000379577364 712388559 /nfs/dbraw/zinc/38/85/59/712388559.db2.gz QLIVDKKUQTWNKM-RKDXNWHRSA-N 1 0 216.306 0.313 20 30 BCEDRO CN1CC[C@@H]1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000712532842 712442039 /nfs/dbraw/zinc/44/20/39/712442039.db2.gz CTXUWRJAZSICSG-SECBINFHSA-N 1 0 247.258 0.977 20 30 BCEDRO CN1CC[C@H]1C[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000712569022 712446921 /nfs/dbraw/zinc/44/69/21/712446921.db2.gz HRAYDDABJCENSQ-UONOGXRCSA-N 1 0 245.326 0.885 20 30 BCEDRO CNC(N[C@@H]1C[C@@H](OC)C12CCC2)=[NH+]C ZINC000713122977 712453392 /nfs/dbraw/zinc/45/33/92/712453392.db2.gz PYGNCXXEBXPIFW-RKDXNWHRSA-N 1 0 211.309 0.739 20 30 BCEDRO C[NH+](C)C[C@@]1(O)CCN(c2ccncc2C#N)C1 ZINC000713721149 712470099 /nfs/dbraw/zinc/47/00/99/712470099.db2.gz TYOHBGBUXJLVFU-ZDUSSCGKSA-N 1 0 246.314 0.456 20 30 BCEDRO CS(=O)(=O)C1CC([NH2+]CC2(CC#N)CC2)C1 ZINC000715221873 712513805 /nfs/dbraw/zinc/51/38/05/712513805.db2.gz KNDUQBHWVOBRTM-UHFFFAOYSA-N 1 0 242.344 0.845 20 30 BCEDRO N#C[C@@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000715823722 712533950 /nfs/dbraw/zinc/53/39/50/712533950.db2.gz KXNZXUWHTMYMNM-NSHDSACASA-N 1 0 233.315 0.844 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000715821809 712534059 /nfs/dbraw/zinc/53/40/59/712534059.db2.gz ZUSRQHBADNEBLM-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO N#C[C@@H](NC(=O)C12CC[NH+](CC1)C2)C1CC1 ZINC000715824329 712534099 /nfs/dbraw/zinc/53/40/99/712534099.db2.gz NQJODXVEMKKGNW-SNVBAGLBSA-N 1 0 219.288 0.501 20 30 BCEDRO N#C[C@H]1CCCN(C(=O)C23CC[NH+](CC2)C3)C1 ZINC000715823718 712534254 /nfs/dbraw/zinc/53/42/54/712534254.db2.gz KXNZXUWHTMYMNM-LLVKDONJSA-N 1 0 233.315 0.844 20 30 BCEDRO C=C[C@@H](C)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716119257 712550535 /nfs/dbraw/zinc/55/05/35/712550535.db2.gz CNBIFJYPIANTRI-AFPNSQJFSA-N 1 0 203.307 0.726 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716156835 712552539 /nfs/dbraw/zinc/55/25/39/712552539.db2.gz FVZVGHHSANVPJV-XNWIYYODSA-N 1 0 233.333 0.089 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]CC(=O)N(C)C ZINC000037207373 712553254 /nfs/dbraw/zinc/55/32/54/712553254.db2.gz VORRIGDTMFQDQR-UHFFFAOYSA-N 1 0 246.310 0.876 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](O)COC(C)C ZINC000716354818 712556227 /nfs/dbraw/zinc/55/62/27/712556227.db2.gz BFKLTTSNANLSCV-VXGBXAGGSA-N 1 0 229.320 0.400 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000716356768 712556380 /nfs/dbraw/zinc/55/63/80/712556380.db2.gz RAZHNMXRSQVZPR-RKDXNWHRSA-N 1 0 239.237 0.928 20 30 BCEDRO C[C@H](Nc1ccnc(C#N)n1)C1CC[NH2+]CC1 ZINC000716551468 712563518 /nfs/dbraw/zinc/56/35/18/712563518.db2.gz CLIIYGIBYBAGHU-VIFPVBQESA-N 1 0 231.303 0.570 20 30 BCEDRO C[NH+](C)C[C@H](CO)NC(=O)C#Cc1ccccc1 ZINC000716731173 712571073 /nfs/dbraw/zinc/57/10/73/712571073.db2.gz YPNXFVZFSDWLMD-CYBMUJFWSA-N 1 0 246.310 0.077 20 30 BCEDRO CCNC(NCC[C@@H](O)C(F)(F)F)=[NH+]CC ZINC000716766650 712572885 /nfs/dbraw/zinc/57/28/85/712572885.db2.gz WIPJJJNCPAXYNA-SSDOTTSWSA-N 1 0 241.257 0.875 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1snnc1C ZINC000716818951 712576855 /nfs/dbraw/zinc/57/68/55/712576855.db2.gz LNVRYNBZPYUNNO-VIFPVBQESA-N 1 0 225.317 0.974 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H]1COC(C)(C)O1 ZINC000716827048 712576971 /nfs/dbraw/zinc/57/69/71/712576971.db2.gz CRAKHZCAZSYPRK-QWRGUYRKSA-N 1 0 227.304 0.766 20 30 BCEDRO C#CC[C@H](COC)NC[C@H](O)C[N@H+](C)C1CC1 ZINC000716828433 712577353 /nfs/dbraw/zinc/57/73/53/712577353.db2.gz LBWYTRHFRRBAHP-YPMHNXCESA-N 1 0 240.347 0.069 20 30 BCEDRO CCOC(=O)[C@@H]1CCC[N@H+](C[C@H](O)CC#N)C1 ZINC000809571145 712584376 /nfs/dbraw/zinc/58/43/76/712584376.db2.gz YAFMNPZVJXEWJG-GHMZBOCLSA-N 1 0 240.303 0.536 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)CC(F)(F)F ZINC000717854980 712600836 /nfs/dbraw/zinc/60/08/36/712600836.db2.gz YPOLGWIPOHPKSQ-BDAKNGLRSA-N 1 0 239.237 0.664 20 30 BCEDRO C#C[C@@H]1CCCN(C(=O)[C@H](C)[NH+](C)C)C1 ZINC000848282808 712609608 /nfs/dbraw/zinc/60/96/08/712609608.db2.gz ZXQWFYZPDMTNBI-WDEREUQCSA-N 1 0 208.305 0.808 20 30 BCEDRO C#CCCN(CCCS(C)(=O)=O)CCOC ZINC000852752037 712612877 /nfs/dbraw/zinc/61/28/77/712612877.db2.gz MFTDPMYGVFVWKD-UHFFFAOYSA-N 1 0 247.360 0.393 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCCCOCC ZINC000379919403 712626919 /nfs/dbraw/zinc/62/69/19/712626919.db2.gz GGNUOWLAKBFFEC-UHFFFAOYSA-N 1 0 212.293 0.142 20 30 BCEDRO C#CCOc1ccccc1C[NH2+]C[C@@H](O)[C@@H](C)O ZINC000717281087 712644181 /nfs/dbraw/zinc/64/41/81/712644181.db2.gz RZLMHOHINVFRMH-DGCLKSJQSA-N 1 0 249.310 0.530 20 30 BCEDRO C[C@@H](O)[C@@H](O)C[NH2+][C@@H](C)c1ccc(C#N)cc1 ZINC000717377368 712652384 /nfs/dbraw/zinc/65/23/84/712652384.db2.gz USZJGJGNJHVQCS-CWSCBRNRSA-N 1 0 234.299 0.951 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CC(=O)N2CCC2)C1 ZINC000886355138 712654841 /nfs/dbraw/zinc/65/48/41/712654841.db2.gz CNFOWQBEJAKVCZ-NSHDSACASA-N 1 0 206.289 0.564 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)c1ccc(F)cc1F ZINC000717437564 712658038 /nfs/dbraw/zinc/65/80/38/712658038.db2.gz IJUNRTSVSHVNGS-LBPRGKRZSA-N 1 0 241.237 0.584 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1C[C@@H](OCC)[C@@H]1OC ZINC000717570368 712661164 /nfs/dbraw/zinc/66/11/64/712661164.db2.gz JHHZHSPLGLUKOU-GWOFURMSSA-N 1 0 215.293 0.315 20 30 BCEDRO CCOc1cc(NCC#CC[NH+](C)C)ncn1 ZINC000717607380 712662231 /nfs/dbraw/zinc/66/22/31/712662231.db2.gz ZYGVLOCTHOCJGG-UHFFFAOYSA-N 1 0 234.303 0.852 20 30 BCEDRO C[NH+](C)CC#CCNc1cccnc1[N+](=O)[O-] ZINC000717605682 712662398 /nfs/dbraw/zinc/66/23/98/712662398.db2.gz IKOOJYPVEPCBLG-UHFFFAOYSA-N 1 0 234.259 0.967 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cccc(F)n1 ZINC000717679234 712664366 /nfs/dbraw/zinc/66/43/66/712664366.db2.gz GWVPGDFPHNOEDW-UHFFFAOYSA-N 1 0 235.262 0.516 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C1CCN(C2CC2)CC1 ZINC000717727683 712667601 /nfs/dbraw/zinc/66/76/01/712667601.db2.gz IXGIKUQQCYOKNI-CYBMUJFWSA-N 1 0 236.359 0.977 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)c1ccccc1 ZINC000717734475 712669397 /nfs/dbraw/zinc/66/93/97/712669397.db2.gz ZBTXUERSBWKQQE-CHWSQXEVSA-N 1 0 219.284 0.694 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(C)nc1 ZINC000717777326 712675699 /nfs/dbraw/zinc/67/56/99/712675699.db2.gz SKTZNDYFLXRWHF-GFCCVEGCSA-N 1 0 204.273 0.864 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(C#N)o1 ZINC000717777809 712675778 /nfs/dbraw/zinc/67/57/78/712675778.db2.gz VIRFJLJYNMTRKG-SECBINFHSA-N 1 0 204.229 0.625 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccnn1CC ZINC000717785148 712676073 /nfs/dbraw/zinc/67/60/73/712676073.db2.gz BGCYAEOATODDDO-JTQLQIEISA-N 1 0 207.277 0.377 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000717785187 712676175 /nfs/dbraw/zinc/67/61/75/712676175.db2.gz BUCDMXQHNKEJAS-QWHCGFSZSA-N 1 0 237.274 0.833 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cnccn1 ZINC000717785387 712676639 /nfs/dbraw/zinc/67/66/39/712676639.db2.gz DGTDGIBIYCZLDF-SNVBAGLBSA-N 1 0 205.261 0.341 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H]1CCN(C)[C@H](C)C1 ZINC000717795721 712677996 /nfs/dbraw/zinc/67/79/96/712677996.db2.gz UUALOVDAGIRADL-GRYCIOLGSA-N 1 0 210.321 0.443 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(OC)nc1 ZINC000717813163 712680840 /nfs/dbraw/zinc/68/08/40/712680840.db2.gz HIPADJAVASPALQ-LLVKDONJSA-N 1 0 220.272 0.564 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccnn1CCC ZINC000717813436 712681031 /nfs/dbraw/zinc/68/10/31/712681031.db2.gz JHPWAMCRPYQJAX-LLVKDONJSA-N 1 0 221.304 0.767 20 30 BCEDRO Cn1nccc1C1=CCN(C[C@H](O)CC#N)CC1 ZINC000930445484 712712524 /nfs/dbraw/zinc/71/25/24/712712524.db2.gz KMSSKMPAHNDABL-GFCCVEGCSA-N 1 0 246.314 0.784 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(-n2ccnc2)cc1 ZINC000195522761 712730726 /nfs/dbraw/zinc/73/07/26/712730726.db2.gz HNBAFDJJKLLETK-UHFFFAOYSA-N 1 0 229.287 0.906 20 30 BCEDRO CCNC(NCCCCOC)=[NH+]CC ZINC000195522514 712730776 /nfs/dbraw/zinc/73/07/76/712730776.db2.gz GQGGRNNDPSUQNN-UHFFFAOYSA-N 1 0 201.314 0.988 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)COC(C)C ZINC000717897127 712731902 /nfs/dbraw/zinc/73/19/02/712731902.db2.gz AOIYKCBQTNZVAA-VXGBXAGGSA-N 1 0 229.320 0.136 20 30 BCEDRO C=C(Cl)Cn1cc(CC[C@@H](O)C[NH3+])nn1 ZINC000717936138 712734675 /nfs/dbraw/zinc/73/46/75/712734675.db2.gz FSPOAGUVDUSIOK-SECBINFHSA-N 1 0 230.699 0.283 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@H](C)[N@H+]1[C@H](C)CC[C@@H]1C ZINC000718163638 712750571 /nfs/dbraw/zinc/75/05/71/712750571.db2.gz HKWSEWZFHHTFBH-WHOHXGKFSA-N 1 0 238.331 0.358 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCN2CCNC2=O)c1 ZINC000037749408 712754671 /nfs/dbraw/zinc/75/46/71/712754671.db2.gz WBLBTAUGDCTNHF-UHFFFAOYSA-N 1 0 244.298 0.673 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@@H]1C[C@@H](C)CO1 ZINC000718398911 712756973 /nfs/dbraw/zinc/75/69/73/712756973.db2.gz SVQPZYYQHVLAOF-NEPJUHHUSA-N 1 0 238.331 0.483 20 30 BCEDRO Cc1coc(C(=O)NCC#CC[NH+](C)C)c1 ZINC000718530173 712771065 /nfs/dbraw/zinc/77/10/65/712771065.db2.gz JAMVGNFNBHPQMP-UHFFFAOYSA-N 1 0 220.272 0.883 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](C2OCCO2)C1 ZINC000718989683 712792282 /nfs/dbraw/zinc/79/22/82/712792282.db2.gz SJFMMFWJRQJRQJ-LLVKDONJSA-N 1 0 225.288 0.331 20 30 BCEDRO C=CC1CCN(C(=O)c2c(C[NH3+])cnn2C)CC1 ZINC000719239250 712800873 /nfs/dbraw/zinc/80/08/73/712800873.db2.gz JBGOMSBQHVGDSP-UHFFFAOYSA-N 1 0 248.330 0.917 20 30 BCEDRO CNC(NC[C@@]1(OC)CCSC1)=[NH+]C ZINC000719307875 712803998 /nfs/dbraw/zinc/80/39/98/712803998.db2.gz KXDRUCACDTXRHG-VIFPVBQESA-N 1 0 217.338 0.303 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)c2ccc(C#N)cn2)CC[N@@H+]1C ZINC000719361132 712805056 /nfs/dbraw/zinc/80/50/56/712805056.db2.gz CPPNYRLTHGQBPO-KOLCDFICSA-N 1 0 244.298 0.776 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000719353969 712805615 /nfs/dbraw/zinc/80/56/15/712805615.db2.gz KARYHRVCBOWMHR-OPRDCNLKSA-N 1 0 209.293 0.745 20 30 BCEDRO C[C@@H]1[C@@H](Nc2ccc(C#N)nn2)CC[N@@H+]1C ZINC000719774838 712824101 /nfs/dbraw/zinc/82/41/01/712824101.db2.gz SEWQVSQDWBGIPR-SCZZXKLOSA-N 1 0 217.276 0.853 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cc(C)nnc1C ZINC000720585926 712855375 /nfs/dbraw/zinc/85/53/75/712855375.db2.gz ZVKIIMXGJHTHKB-LLVKDONJSA-N 1 0 207.277 0.730 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H]([NH3+])C(C)(C)C1 ZINC000720746995 712863179 /nfs/dbraw/zinc/86/31/79/712863179.db2.gz IRUFVTGBBSZZSM-SECBINFHSA-N 1 0 232.349 0.561 20 30 BCEDRO N#Cc1ccc(N2CCN3CC[NH2+]C[C@@H]3C2)nc1 ZINC001164390186 718828142 /nfs/dbraw/zinc/82/81/42/718828142.db2.gz BVSRHSBPDAQCPC-GFCCVEGCSA-N 1 0 243.314 0.047 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1cncc(C#N)n1 ZINC000591460052 719168202 /nfs/dbraw/zinc/16/82/02/719168202.db2.gz DJEUFRSEWAFRFZ-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO C[C@H]1C[N@H+](C)[C@@H](C)CN1c1cncc(C#N)n1 ZINC000591460053 719168770 /nfs/dbraw/zinc/16/87/70/719168770.db2.gz DJEUFRSEWAFRFZ-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO CC[C@H](C#N)NC(=O)[C@@H]1C[C@H]1c1c[nH]cn1 ZINC000602089213 349435887 /nfs/dbraw/zinc/43/58/87/349435887.db2.gz SPYQLEXJUJTTIU-IWSPIJDZSA-N 1 0 218.260 0.932 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)NC2(C#N)CC2)C1 ZINC000602100648 349440436 /nfs/dbraw/zinc/44/04/36/349440436.db2.gz AYPVNEZNNCQJCB-VIFPVBQESA-N 1 0 207.277 0.501 20 30 BCEDRO C[C@H](C(=O)NCC1(CC#N)CC1)[NH+](C)C ZINC000602147636 349453370 /nfs/dbraw/zinc/45/33/70/349453370.db2.gz CDTSIMZZNJRSLI-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)N2CC[C@](F)(C#N)C2)C1 ZINC000602145086 349452742 /nfs/dbraw/zinc/45/27/42/349452742.db2.gz XHTCZYPNKOKCAP-JQWIXIFHSA-N 1 0 239.294 0.792 20 30 BCEDRO C[C@H](C(=O)N[C@]1(C#N)CC1(C)C)[NH+](C)C ZINC000602153114 349462301 /nfs/dbraw/zinc/46/23/01/349462301.db2.gz KGVRVRQRBVUWSO-KCJUWKMLSA-N 1 0 209.293 0.745 20 30 BCEDRO C=C(C)C[NH+]1CCN(Cc2nnc(C)[nH]2)CC1 ZINC000605422551 343978365 /nfs/dbraw/zinc/97/83/65/343978365.db2.gz IGFZJOZQHNIXMU-UHFFFAOYSA-N 1 0 235.335 0.807 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[NH2+]C[C@@H]1C ZINC000125774868 136213218 /nfs/dbraw/zinc/21/32/18/136213218.db2.gz ODYNZMFINWBVSP-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(c3cc(C#N)ncn3)[C@@H]2C1 ZINC000572352034 398144425 /nfs/dbraw/zinc/14/44/25/398144425.db2.gz PCUWJLSGTOHNBK-ZYHUDNBSSA-N 1 0 243.314 0.879 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H](O)COCC ZINC000379513730 398150570 /nfs/dbraw/zinc/15/05/70/398150570.db2.gz VPMNWPPVXFGZMZ-SNVBAGLBSA-N 1 0 203.282 0.176 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)[C@@H](C)CCO)C1=O ZINC000649871227 398154449 /nfs/dbraw/zinc/15/44/49/398154449.db2.gz VKSKVIRVBRLYCD-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]([NH3+])CCC ZINC000424206235 398175403 /nfs/dbraw/zinc/17/54/03/398175403.db2.gz HHROHKGATZIBPR-AXFHLTTASA-N 1 0 226.320 0.821 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@]1(C)CC[NH2+]C1 ZINC000424206110 398175667 /nfs/dbraw/zinc/17/56/67/398175667.db2.gz GQDOLAMQJPUSMW-GMXVVIOVSA-N 1 0 238.331 0.693 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H](C)[C@H](C)[NH3+])nn1 ZINC000424205049 398175691 /nfs/dbraw/zinc/17/56/91/398175691.db2.gz FRUPFYQLZQDEDG-BDAKNGLRSA-N 1 0 237.307 0.064 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)COC(C)C ZINC000571088094 398178750 /nfs/dbraw/zinc/17/87/50/398178750.db2.gz KTGSYBZCXAKHTA-VXGBXAGGSA-N 1 0 231.336 0.547 20 30 BCEDRO C=C[C@H](CO)NC1CC[NH+](CCC)CC1 ZINC000308968685 136217190 /nfs/dbraw/zinc/21/71/90/136217190.db2.gz XPOOEPXRFXIGKU-LLVKDONJSA-N 1 0 212.337 0.997 20 30 BCEDRO C=CCC[C@@H](C)[NH2+]C[C@H]1CS(=O)(=O)CCO1 ZINC000309334938 136217945 /nfs/dbraw/zinc/21/79/45/136217945.db2.gz IRCVGBRGGKIMSZ-MNOVXSKESA-N 1 0 247.360 0.744 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCN(CC)[C@@H](C)C1 ZINC000649396027 398197577 /nfs/dbraw/zinc/19/75/77/398197577.db2.gz SUFXROIKDPHYKU-NWDGAFQWSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+]C1(CO)CCOCC1 ZINC000309522581 136218972 /nfs/dbraw/zinc/21/89/72/136218972.db2.gz UIELEAQSVPYVIB-LLVKDONJSA-N 1 0 229.320 0.445 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](OC)[C@@H](C)C1 ZINC000650001008 398213407 /nfs/dbraw/zinc/21/34/07/398213407.db2.gz PNSFSWVDKMCRLB-NWDGAFQWSA-N 1 0 211.305 0.993 20 30 BCEDRO C=C(C)C[NH2+][C@@]1(CC(=O)OC)CCOC1 ZINC000336756594 136220475 /nfs/dbraw/zinc/22/04/75/136220475.db2.gz ITCQZKWXAGJTQF-LLVKDONJSA-N 1 0 213.277 0.874 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H](C[NH3+])C1 ZINC000381034997 398220058 /nfs/dbraw/zinc/22/00/58/398220058.db2.gz BCYZIWIEAFNUQC-JTQLQIEISA-N 1 0 212.293 0.386 20 30 BCEDRO Cc1cc(N2C[C@H](O)[C@@H]([NH+](C)C)C2)c(C#N)cn1 ZINC000576393267 365584002 /nfs/dbraw/zinc/58/40/02/365584002.db2.gz CHZOSCOOICENEG-STQMWFEESA-N 1 0 246.314 0.373 20 30 BCEDRO N#CCC1(C[NH2+]C[C@H](O)Cn2cccn2)CC1 ZINC000576392850 365584283 /nfs/dbraw/zinc/58/42/83/365584283.db2.gz HTDWMTCHGVWDMF-NSHDSACASA-N 1 0 234.303 0.527 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCn1ccccc1=O ZINC000650029537 398223422 /nfs/dbraw/zinc/22/34/22/398223422.db2.gz YJWNGTUXSBOUNC-NEPJUHHUSA-N 1 0 234.299 0.781 20 30 BCEDRO CC1(C)[C@@H]2C[N@@H+](CC(=O)NCC#N)C[C@@H]21 ZINC000172958199 259302642 /nfs/dbraw/zinc/30/26/42/259302642.db2.gz WXCVSZUJMRLOOM-DTORHVGOSA-N 1 0 207.277 0.214 20 30 BCEDRO C=CC[C@H](C)NC(=O)N[C@@H](C[NH3+])C1CC1 ZINC000418393639 192032496 /nfs/dbraw/zinc/03/24/96/192032496.db2.gz FMRNTMLGSHLXMD-WPRPVWTQSA-N 1 0 211.309 0.988 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H]1CCCC[C@@H]1C[NH3+] ZINC000418407851 192033873 /nfs/dbraw/zinc/03/38/73/192033873.db2.gz MDXRBRXBJVBOSK-MXWKQRLJSA-N 1 0 241.335 0.350 20 30 BCEDRO CC#CCNC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418434580 192035847 /nfs/dbraw/zinc/03/58/47/192035847.db2.gz FGMVQUHORDZRPF-SNVBAGLBSA-N 1 0 211.309 0.682 20 30 BCEDRO C[C@@H]1C[C@@H](NC(=O)CC#N)C[N@@H+]1C1CC1 ZINC000334494567 136226231 /nfs/dbraw/zinc/22/62/31/136226231.db2.gz ZWPBGBNROMMHGU-RKDXNWHRSA-N 1 0 207.277 0.641 20 30 BCEDRO CC#CCNC(=O)N[C@@H](C[NH3+])CCCC ZINC000418438932 192035502 /nfs/dbraw/zinc/03/55/02/192035502.db2.gz FKFRJHQCRZVNCX-SNVBAGLBSA-N 1 0 211.309 0.826 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H](C[NH3+])CCCC ZINC000418448298 192035511 /nfs/dbraw/zinc/03/55/11/192035511.db2.gz QOPWUWTYCMMDNG-ZJUUUORDSA-N 1 0 229.324 0.350 20 30 BCEDRO C=C[C@@H](CO)NC(=O)N[C@H](C[NH3+])CCCC ZINC000418448296 192035653 /nfs/dbraw/zinc/03/56/53/192035653.db2.gz QOPWUWTYCMMDNG-UWVGGRQHSA-N 1 0 229.324 0.350 20 30 BCEDRO CC(C)[NH+]1CCN(c2ccnc(C#N)n2)CC1 ZINC000393847700 343991431 /nfs/dbraw/zinc/99/14/31/343991431.db2.gz RXLMBKYBOOJSJB-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@@H+]1CC[C@@H](CO)C1 ZINC000092797585 398238063 /nfs/dbraw/zinc/23/80/63/398238063.db2.gz SJERNWINUBNGAT-LLVKDONJSA-N 1 0 239.319 0.063 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H]2NC(=O)OC[C@H]2C1 ZINC000281478158 398239577 /nfs/dbraw/zinc/23/95/77/398239577.db2.gz WKGNBVBAFQFMGJ-MNOVXSKESA-N 1 0 222.288 0.830 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H](C[NH3+])CC(C)C ZINC000418422399 192037304 /nfs/dbraw/zinc/03/73/04/192037304.db2.gz AYOPUQIRFZCBPF-GHMZBOCLSA-N 1 0 243.351 0.596 20 30 BCEDRO C[NH2+][C@@H]1CCCN(C(=O)C2(C#N)CCC2)C1 ZINC000602427381 349532839 /nfs/dbraw/zinc/53/28/39/349532839.db2.gz GHQYRZVTDGEPQN-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO N#CC1(C(=O)NC[C@H]2CCC[NH2+]2)CC2(CC2)C1 ZINC000602429129 349534383 /nfs/dbraw/zinc/53/43/83/349534383.db2.gz SVAOPNDBYDWCKI-SNVBAGLBSA-N 1 0 233.315 0.939 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NCC(C)(C)[NH3+] ZINC000418432100 192037706 /nfs/dbraw/zinc/03/77/06/192037706.db2.gz RXIVHUXENISIJA-VIFPVBQESA-N 1 0 229.324 0.208 20 30 BCEDRO CC#CC[C@@H](CO)Nc1cc[nH+]cc1C ZINC000645407091 398246474 /nfs/dbraw/zinc/24/64/74/398246474.db2.gz LFYKWQYHEADRGR-NSHDSACASA-N 1 0 204.273 0.998 20 30 BCEDRO C=CCCCC[N@@H+]1C[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000576669662 365653744 /nfs/dbraw/zinc/65/37/44/365653744.db2.gz PIMSMZFXZOERGR-AOOOYVTPSA-N 1 0 222.288 0.547 20 30 BCEDRO C[C@H]1CN(C(=O)C2(C#N)CC3(CC3)C2)CC[NH2+]1 ZINC000602435032 349538822 /nfs/dbraw/zinc/53/88/22/349538822.db2.gz SIDUEKBKLOZVQB-JTQLQIEISA-N 1 0 233.315 0.891 20 30 BCEDRO CCC[NH2+]CCNC(=O)N(C)C[C@@H](C)C#N ZINC000418470272 192038360 /nfs/dbraw/zinc/03/83/60/192038360.db2.gz IUWCNGXPGAUBDP-JTQLQIEISA-N 1 0 226.324 0.787 20 30 BCEDRO C=CC[C@H](CO)NC(=O)NCC[NH2+]CCC ZINC000418470344 192038571 /nfs/dbraw/zinc/03/85/71/192038571.db2.gz JIEMQBPLRFFGQP-SNVBAGLBSA-N 1 0 229.324 0.222 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@@H]([NH3+])C1 ZINC000381381286 398254785 /nfs/dbraw/zinc/25/47/85/398254785.db2.gz KOZNMBIPJHREEK-SNVBAGLBSA-N 1 0 212.293 0.529 20 30 BCEDRO CO[C@](C)(C[NH+]1CCN(CC#N)CC1)C1CC1 ZINC000602456694 349554329 /nfs/dbraw/zinc/55/43/29/349554329.db2.gz ZJJLVLSLCUMDTN-CYBMUJFWSA-N 1 0 237.347 0.943 20 30 BCEDRO CNC(=O)CC[N@H+](C)C[C@H](C)CCC#N ZINC000602458762 349554553 /nfs/dbraw/zinc/55/45/53/349554553.db2.gz KPRJYBFJXZCPFR-SNVBAGLBSA-N 1 0 211.309 0.994 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cnsn1 ZINC000294120533 398260050 /nfs/dbraw/zinc/26/00/50/398260050.db2.gz ZQGXUZKHNJQWCF-UHFFFAOYSA-N 1 0 238.316 0.223 20 30 BCEDRO C=CCN(C)C(=O)[C@H]1C[NH2+]CCC1(F)F ZINC000381509560 398261160 /nfs/dbraw/zinc/26/11/60/398261160.db2.gz VKTSJHHCKQLBHG-MRVPVSSYSA-N 1 0 218.247 0.876 20 30 BCEDRO CCC[NH2+]CCNC(=O)C1(C#N)CCC1 ZINC000602484413 349566289 /nfs/dbraw/zinc/56/62/89/349566289.db2.gz MLDHSSJGXGSZGQ-UHFFFAOYSA-N 1 0 209.293 0.796 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)NC[C@H](C)C[NH3+] ZINC000418476694 192039870 /nfs/dbraw/zinc/03/98/70/192039870.db2.gz TYEIZNAXCDHLHO-ZJUUUORDSA-N 1 0 229.324 0.065 20 30 BCEDRO C=CCCOCC(=O)NC[C@H]([NH3+])C1CC1 ZINC000381601971 398266513 /nfs/dbraw/zinc/26/65/13/398266513.db2.gz HKIZQZKDEDRMAV-JTQLQIEISA-N 1 0 212.293 0.433 20 30 BCEDRO C[C@@H](CC[NH3+])NC(=O)C1(C#N)CC2(CC2)C1 ZINC000602486580 349567894 /nfs/dbraw/zinc/56/78/94/349567894.db2.gz UZZOKLLJPUJETF-VIFPVBQESA-N 1 0 221.304 0.924 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@@H]1NC(=O)C1(C#N)CCC1 ZINC000602485555 349568061 /nfs/dbraw/zinc/56/80/61/349568061.db2.gz NFLXWBWMQJTNSI-ZJUUUORDSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@@H]1[NH2+]CCC[C@@H]1NC(=O)C1(C#N)CCC1 ZINC000602490267 349571080 /nfs/dbraw/zinc/57/10/80/349571080.db2.gz CICLWLAUTZEYNY-UWVGGRQHSA-N 1 0 221.304 0.937 20 30 BCEDRO N#CC1(C(=O)N2CC[C@@H]3[NH2+]CC[C@@H]3C2)CCC1 ZINC000602491010 349571315 /nfs/dbraw/zinc/57/13/15/349571315.db2.gz MQRYUROSZZNMRD-MNOVXSKESA-N 1 0 233.315 0.891 20 30 BCEDRO C[C@H]1C[C@H](NC(=O)C2(C#N)CCC2)CC[NH2+]1 ZINC000602493220 349571957 /nfs/dbraw/zinc/57/19/57/349571957.db2.gz QYWMSLAIHWFFHE-VHSXEESVSA-N 1 0 221.304 0.937 20 30 BCEDRO C[C@@H]1C[NH2+]CC[C@H]1NC(=O)C1(C#N)CCC1 ZINC000602492078 349572066 /nfs/dbraw/zinc/57/20/66/349572066.db2.gz LSMJVBQDJCIGCD-NXEZZACHSA-N 1 0 221.304 0.794 20 30 BCEDRO N#CC1CCC([NH2+][C@H]2CCCNC2=O)CC1 ZINC000602530129 349579153 /nfs/dbraw/zinc/57/91/53/349579153.db2.gz DSMBPNVNYGAWTB-ILDUYXDCSA-N 1 0 221.304 0.937 20 30 BCEDRO C[C@H](O)C[N@H+](CCCSCC#N)[C@@H](C)CO ZINC000190886439 398270547 /nfs/dbraw/zinc/27/05/47/398270547.db2.gz IRNRZQBXJMSBNN-QWRGUYRKSA-N 1 0 246.376 0.697 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+]CCNS(C)(=O)=O ZINC000602503676 349581154 /nfs/dbraw/zinc/58/11/54/349581154.db2.gz DQPVPTFNGQKMMB-VIFPVBQESA-N 1 0 233.337 0.065 20 30 BCEDRO CC[NH+]1CCN(c2cncc(C#N)n2)CC1 ZINC000259703410 349586964 /nfs/dbraw/zinc/58/69/64/349586964.db2.gz LJQPMZJZYNADJD-UHFFFAOYSA-N 1 0 217.276 0.490 20 30 BCEDRO C[NH2+]CCOCCN(C)C(=O)C1(C#N)CCC1 ZINC000602544636 349588909 /nfs/dbraw/zinc/58/89/09/349588909.db2.gz IQNQAGVBCWSTFL-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO C[C@@H](CCC#N)C[NH2+][C@H]1CCCNC1=O ZINC000602534398 349602095 /nfs/dbraw/zinc/60/20/95/349602095.db2.gz RUAJGEATQLMKFS-UWVGGRQHSA-N 1 0 209.293 0.794 20 30 BCEDRO CO[C@@H](C[NH2+]C1CCN(CC#N)CC1)C1CC1 ZINC000602537574 349603666 /nfs/dbraw/zinc/60/36/66/349603666.db2.gz GLOYPXIDIFUYKV-ZDUSSCGKSA-N 1 0 237.347 0.989 20 30 BCEDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCOCCC#N ZINC000378864450 346848824 /nfs/dbraw/zinc/84/88/24/346848824.db2.gz XJPBMAXDBDDVRP-VHSXEESVSA-N 1 0 225.292 0.031 20 30 BCEDRO CN1C[C@H]([NH2+]Cc2cccc(C#N)n2)CCC1=O ZINC000602552803 349594538 /nfs/dbraw/zinc/59/45/38/349594538.db2.gz PUZAOHAARJJKSH-GFCCVEGCSA-N 1 0 244.298 0.664 20 30 BCEDRO COC[C@H](O)CC[NH2+]C[C@@H](C)CCC#N ZINC000602579351 349607633 /nfs/dbraw/zinc/60/76/33/349607633.db2.gz JZEQKIKANVYNSF-WDEREUQCSA-N 1 0 214.309 0.913 20 30 BCEDRO C[NH2+]CC(=O)N1CCc2c(CC#N)cccc2C1 ZINC000602578646 349607647 /nfs/dbraw/zinc/60/76/47/349607647.db2.gz ZGJAVRUHUGFZNB-UHFFFAOYSA-N 1 0 243.310 0.857 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@@]1(O)CCOC1 ZINC000602582436 349609998 /nfs/dbraw/zinc/60/99/98/349609998.db2.gz PIYCJHNQDHITGT-MNOVXSKESA-N 1 0 212.293 0.667 20 30 BCEDRO Cc1c[nH]c(CN2CC[C@@](O)(CC#N)C2)n1 ZINC000600166439 342694067 /nfs/dbraw/zinc/69/40/67/342694067.db2.gz CTXYDUUPFZPCGF-NSHDSACASA-N 1 0 220.276 0.569 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+]Cc2cnn[nH]2)C1 ZINC000600177039 342696454 /nfs/dbraw/zinc/69/64/54/342696454.db2.gz LSZYVNGHKUPCLK-RKDXNWHRSA-N 1 0 205.265 0.977 20 30 BCEDRO N#CCc1cccc(C(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)c1 ZINC000602587417 349612805 /nfs/dbraw/zinc/61/28/05/349612805.db2.gz GRAFDFKSMNVELT-STQMWFEESA-N 1 0 241.294 0.939 20 30 BCEDRO C[C@@H](CC#N)N(C)C(=O)C1=CC[C@H]([NH3+])C1 ZINC000602592059 349614889 /nfs/dbraw/zinc/61/48/89/349614889.db2.gz HKYUAQDVTHNZPR-WPRPVWTQSA-N 1 0 207.277 0.794 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)COC(C)C ZINC000320646205 342735340 /nfs/dbraw/zinc/73/53/40/342735340.db2.gz NZFYJLSEWVKWNP-NWDGAFQWSA-N 1 0 231.336 0.689 20 30 BCEDRO C=CCCOCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000231820852 342739990 /nfs/dbraw/zinc/73/99/90/342739990.db2.gz FEXXDULBXDOGAL-GFCCVEGCSA-N 1 0 239.319 0.426 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC1([NH2+]C)CCC1 ZINC000630003116 361890498 /nfs/dbraw/zinc/89/04/98/361890498.db2.gz VMYOHUXPMYUZKR-SNVBAGLBSA-N 1 0 212.293 0.182 20 30 BCEDRO CC#CC[NH+]1CCC(C(=O)NCCOC)CC1 ZINC000607726154 342782102 /nfs/dbraw/zinc/78/21/02/342782102.db2.gz MKVIQGHRFDZSRB-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO CC#CCN1CC[NH+](C[C@@H]2CCCO2)CC1 ZINC000607725341 342782113 /nfs/dbraw/zinc/78/21/13/342782113.db2.gz AQVSMZPJAXINGW-ZDUSSCGKSA-N 1 0 222.332 0.806 20 30 BCEDRO C=C(C)CN(C)C(=O)NC[C@@H]([NH3+])C1CC1 ZINC000418500708 192043954 /nfs/dbraw/zinc/04/39/54/192043954.db2.gz QBSZNMPMFYZRAK-SNVBAGLBSA-N 1 0 211.309 0.941 20 30 BCEDRO C=C[C@H](CO)NC(=O)C[N@@H+](C)C1CCC1 ZINC000630016646 361898051 /nfs/dbraw/zinc/89/80/51/361898051.db2.gz HVYNKXLPHIJBRS-SECBINFHSA-N 1 0 212.293 0.134 20 30 BCEDRO CNC(=O)C(C)(C)C[NH2+]Cc1cccc(C#N)n1 ZINC000602574731 349624181 /nfs/dbraw/zinc/62/41/81/349624181.db2.gz MKYFPVWTZXPEGQ-UHFFFAOYSA-N 1 0 246.314 0.815 20 30 BCEDRO C[C@@H](CNC(=O)c1c[nH]c(C#N)c1)C[NH+](C)C ZINC000355703102 398288039 /nfs/dbraw/zinc/28/80/39/398288039.db2.gz BGZLDRARKPQZMO-VIFPVBQESA-N 1 0 234.303 0.814 20 30 BCEDRO C[C@H](C[NH3+])C(=O)N(C)[C@H]1CCC[C@@H]1C#N ZINC000602602079 349624663 /nfs/dbraw/zinc/62/46/63/349624663.db2.gz MLWMSESAJSLOSA-BBBLOLIVSA-N 1 0 209.293 0.732 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[NH2+]C[C@@H]1CCCO1 ZINC000602594198 349622622 /nfs/dbraw/zinc/62/26/22/349622622.db2.gz UMBKNHVEVNZEQQ-MNOVXSKESA-N 1 0 239.319 0.516 20 30 BCEDRO C=C(C)c1cnc(N2CC[NH2+]CC2)nc1 ZINC000630053798 361924467 /nfs/dbraw/zinc/92/44/67/361924467.db2.gz ZJWMYVGLJWTEPC-UHFFFAOYSA-N 1 0 204.277 0.919 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)c1cnn(C)c1C#N ZINC000356083377 398288973 /nfs/dbraw/zinc/28/89/73/398288973.db2.gz BTQCQNYWFRCLIS-SECBINFHSA-N 1 0 249.318 0.362 20 30 BCEDRO C[C@H](C[NH3+])C(=O)N(C)[C@@H]1CCC[C@@H]1C#N ZINC000602602124 349624838 /nfs/dbraw/zinc/62/48/38/349624838.db2.gz MLWMSESAJSLOSA-OPRDCNLKSA-N 1 0 209.293 0.732 20 30 BCEDRO C=CCOCC[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000380038898 538984149 /nfs/dbraw/zinc/98/41/49/538984149.db2.gz SXGPNAQYCGBOLA-JTQLQIEISA-N 1 0 235.349 0.602 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H](OC)C1 ZINC000381471234 539001599 /nfs/dbraw/zinc/00/15/99/539001599.db2.gz OOJVGJZUUFGQDF-QWRGUYRKSA-N 1 0 226.320 0.836 20 30 BCEDRO N#Cc1cccc2c1CN(C(=O)C1([NH3+])CC1)C2 ZINC000405114057 398294224 /nfs/dbraw/zinc/29/42/24/398294224.db2.gz QJJQDPPBSOBDLE-UHFFFAOYSA-N 1 0 227.267 0.892 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)N[C@H](C)CC[NH3+] ZINC000418515577 192046546 /nfs/dbraw/zinc/04/65/46/192046546.db2.gz BQVKRGIQTAWJIR-ZJUUUORDSA-N 1 0 229.324 0.350 20 30 BCEDRO C[C@H](C#N)CNC1CC[NH+](CC(C)(C)O)CC1 ZINC000602607087 349628873 /nfs/dbraw/zinc/62/88/73/349628873.db2.gz GSTBKBDBQOHZJX-LLVKDONJSA-N 1 0 239.363 0.971 20 30 BCEDRO C=C(C)COCCNC(=O)NCCC[NH3+] ZINC000417883508 398299308 /nfs/dbraw/zinc/29/93/08/398299308.db2.gz HAZMBGHYKZPVNH-UHFFFAOYSA-N 1 0 215.297 0.227 20 30 BCEDRO C[C@H]1CCC[N@H+](CCNc2ncncc2C#N)C1 ZINC000516601482 398302769 /nfs/dbraw/zinc/30/27/69/398302769.db2.gz CXNYLZRXXIJVQS-NSHDSACASA-N 1 0 245.330 0.914 20 30 BCEDRO C=CC[C@H](C)NC(=O)NCC[NH2+]CCOC ZINC000418550264 192049650 /nfs/dbraw/zinc/04/96/50/192049650.db2.gz LNQXMYURXLTMQM-JTQLQIEISA-N 1 0 229.324 0.486 20 30 BCEDRO CC(C)[C@H]([NH3+])C(=O)N1CCN(CCC#N)CC1 ZINC000134822639 342893763 /nfs/dbraw/zinc/89/37/63/342893763.db2.gz SQVQYQONOPNAEM-NSHDSACASA-N 1 0 238.335 0.028 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C[N@H+](C)C1CCC1 ZINC000600820100 398313029 /nfs/dbraw/zinc/31/30/29/398313029.db2.gz CMHVEUBQUYXRBY-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO CC#CCN(C)C(=O)NCC[C@H]1CCC[NH2+]1 ZINC000418553291 192050500 /nfs/dbraw/zinc/05/05/00/192050500.db2.gz SXSUPBRHNPBLBE-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO COCC[N@@H+]1CCCN(C(=O)[C@H](C)C#N)CC1 ZINC000331886731 398313358 /nfs/dbraw/zinc/31/33/58/398313358.db2.gz ORZLJATWPNPNEK-LLVKDONJSA-N 1 0 239.319 0.327 20 30 BCEDRO Cc1n[nH]c(CC[NH2+]Cc2cc(C#N)n(C)c2)n1 ZINC000276590367 398313784 /nfs/dbraw/zinc/31/37/84/398313784.db2.gz DILCHMLWMBARRN-UHFFFAOYSA-N 1 0 244.302 0.656 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(c2cnc(C#N)cn2)C1 ZINC000124608838 398314913 /nfs/dbraw/zinc/31/49/13/398314913.db2.gz AWLLESFYAGVGBD-JTQLQIEISA-N 1 0 231.303 0.736 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@H]1C[NH2+]CC[C@@H]1C ZINC000418562133 192050734 /nfs/dbraw/zinc/05/07/34/192050734.db2.gz TXACXDCMAUKKGE-AXFHLTTASA-N 1 0 241.335 0.221 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1C[C@@H](O)C[C@@H]1CO ZINC000602611688 349635452 /nfs/dbraw/zinc/63/54/52/349635452.db2.gz DZMOJLLHHAHVBB-MXWKQRLJSA-N 1 0 212.293 0.354 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1C[C@H](O)C[C@@H]1CO ZINC000602611686 349635816 /nfs/dbraw/zinc/63/58/16/349635816.db2.gz DZMOJLLHHAHVBB-GMTAPVOTSA-N 1 0 212.293 0.354 20 30 BCEDRO CN(C(=O)[C@H]1C[C@@H]([NH3+])C1)[C@H]1CCC[C@H]1C#N ZINC000602600956 349647646 /nfs/dbraw/zinc/64/76/46/349647646.db2.gz IFOQQAHRVLJWFN-MMWGEVLESA-N 1 0 221.304 0.874 20 30 BCEDRO CN(C(=O)C[NH2+]C1CC1)[C@H]1CCC[C@@H]1C#N ZINC000602599928 349645736 /nfs/dbraw/zinc/64/57/36/349645736.db2.gz CRWZZFQWNHQUBV-KOLCDFICSA-N 1 0 221.304 0.889 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)[C@H]1CCC[NH2+]1)C(=O)OC ZINC000602599609 349646158 /nfs/dbraw/zinc/64/61/58/349646158.db2.gz JKEPVJBIUIPSEI-NXEZZACHSA-N 1 0 240.303 0.362 20 30 BCEDRO C=C(C)C[C@@H](NC(=O)CCCC[NH3+])C(=O)OC ZINC000602600542 349646537 /nfs/dbraw/zinc/64/65/37/349646537.db2.gz OKZLMMAIPGZYIM-SNVBAGLBSA-N 1 0 242.319 0.739 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@@H](O)C1 ZINC000152080971 398328719 /nfs/dbraw/zinc/32/87/19/398328719.db2.gz BTSLDONHTCTTFF-SECBINFHSA-N 1 0 200.307 0.700 20 30 BCEDRO CO[C@@H](C[NH2+]CC1(C#N)CC1)[C@@H]1CCOC1 ZINC000602643753 349656117 /nfs/dbraw/zinc/65/61/17/349656117.db2.gz STALTSDGBHIBAR-MNOVXSKESA-N 1 0 224.304 0.931 20 30 BCEDRO COCC#CC[N@@H+]1CCC12CCOCC2 ZINC000683527008 488188208 /nfs/dbraw/zinc/18/82/08/488188208.db2.gz GQLQJLPZLRZRQU-UHFFFAOYSA-N 1 0 209.289 0.891 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000602626642 349663375 /nfs/dbraw/zinc/66/33/75/349663375.db2.gz MLZIRVJRCUQGOB-ZJUUUORDSA-N 1 0 245.348 0.289 20 30 BCEDRO CCn1cnnc1CNC(N[C@@H]1C[C@H]1C)=[NH+]C ZINC000083904793 398342296 /nfs/dbraw/zinc/34/22/96/398342296.db2.gz OPDBEGVDYXNAAL-RKDXNWHRSA-N 1 0 236.323 0.371 20 30 BCEDRO CC[C@H](C#N)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601028152 398344595 /nfs/dbraw/zinc/34/45/95/398344595.db2.gz FFKYIUUBVFLOKW-LLVKDONJSA-N 1 0 249.318 0.477 20 30 BCEDRO CC(C)[N@H+](C[C@H](C)CCC#N)C[C@@H](O)CO ZINC000602695627 349692566 /nfs/dbraw/zinc/69/25/66/349692566.db2.gz BJNMCCYPGKQOQS-VXGBXAGGSA-N 1 0 228.336 0.990 20 30 BCEDRO CC(C)[N@@H+](Cc1cccc(C#N)n1)C[C@@H](O)CO ZINC000602697338 349693797 /nfs/dbraw/zinc/69/37/97/349693797.db2.gz KCNNVSJOAXNBBV-CYBMUJFWSA-N 1 0 249.314 0.517 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cc(C(=O)OC)c(C)[nH]1 ZINC000602720283 349712203 /nfs/dbraw/zinc/71/22/03/349712203.db2.gz AKZOIYPVUMHYAQ-SECBINFHSA-N 1 0 238.287 0.746 20 30 BCEDRO C=CC[C@@H](C)[C@H](C)[NH2+]CC(=O)NCC(=O)OC ZINC000602752123 349730889 /nfs/dbraw/zinc/73/08/89/349730889.db2.gz XMXYRPDKLNMRNZ-ZJUUUORDSA-N 1 0 242.319 0.466 20 30 BCEDRO C[C@H]1CN(CC2(CC#N)CC2)CC[N@@H+]1CCO ZINC000602810607 349755090 /nfs/dbraw/zinc/75/50/90/349755090.db2.gz HCHULCWWEZIKKT-LBPRGKRZSA-N 1 0 237.347 0.679 20 30 BCEDRO N#CCC1(C[N@H+]2CC[C@H](CC(N)=O)C2)CC1 ZINC000602834671 349774428 /nfs/dbraw/zinc/77/44/28/349774428.db2.gz VZGWIRNTJRTHEB-SNVBAGLBSA-N 1 0 221.304 0.878 20 30 BCEDRO C[C@H]1CN(Cc2nccn2C)C[C@H](C)N1CC#N ZINC000602848722 349783590 /nfs/dbraw/zinc/78/35/90/349783590.db2.gz HYIIMYRBIVOGQQ-RYUDHWBXSA-N 1 0 247.346 0.838 20 30 BCEDRO COCC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856282 349788791 /nfs/dbraw/zinc/78/87/91/349788791.db2.gz YMHZRKVADWLPGN-GHMZBOCLSA-N 1 0 211.309 0.551 20 30 BCEDRO C=C(C)[C@H](CO)[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602856351 349789186 /nfs/dbraw/zinc/78/91/86/349789186.db2.gz ZIFYUKRFVINEFE-UPJWGTAASA-N 1 0 237.347 0.842 20 30 BCEDRO COC(=O)CC[NH+]1C[C@@H](C)N(CC#N)[C@H](C)C1 ZINC000602854873 349787696 /nfs/dbraw/zinc/78/76/96/349787696.db2.gz DDWJPJJZADLMIN-GHMZBOCLSA-N 1 0 239.319 0.468 20 30 BCEDRO C=CCNC(=O)[C@@H](C)n1cc(C[NH2+]C2CC2)nn1 ZINC000640883370 362068904 /nfs/dbraw/zinc/06/89/04/362068904.db2.gz GZHHYLCYZCLRSC-SECBINFHSA-N 1 0 249.318 0.393 20 30 BCEDRO CC[N@H+](C)CCNC(=O)N[C@H]1CCC[C@@H]1C#N ZINC000360082360 136268437 /nfs/dbraw/zinc/26/84/37/136268437.db2.gz KZWTURGTANAQTJ-MNOVXSKESA-N 1 0 238.335 0.930 20 30 BCEDRO C=C(C)Cn1cc(CC[C@@H](O)C[NH3+])nn1 ZINC000640803377 362050975 /nfs/dbraw/zinc/05/09/75/362050975.db2.gz KIRMDJUDNZAFBO-SNVBAGLBSA-N 1 0 210.281 0.106 20 30 BCEDRO C[NH2+]C[C@@H](C)CNc1nccnc1C#N ZINC000168343179 136267574 /nfs/dbraw/zinc/26/75/74/136267574.db2.gz QREQWLGDKJKMAO-MRVPVSSYSA-N 1 0 205.265 0.616 20 30 BCEDRO C=CCCCn1cc(CN2CC[NH+](C)CC2)nn1 ZINC000640935459 362073345 /nfs/dbraw/zinc/07/33/45/362073345.db2.gz DOQBZPCIKOBVQS-UHFFFAOYSA-N 1 0 249.362 0.992 20 30 BCEDRO C=CCCCn1cc(C[C@@H]([NH3+])CO)nn1 ZINC000640936155 362074238 /nfs/dbraw/zinc/07/42/38/362074238.db2.gz PMKNZLFESPBOMB-SECBINFHSA-N 1 0 210.281 0.106 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@H]1C(=O)N(C)C ZINC000305060372 136269644 /nfs/dbraw/zinc/26/96/44/136269644.db2.gz GHWJOSDEYBOTBD-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCCCCn1cc([C@@H]([NH3+])CO)nn1 ZINC000640938441 362081994 /nfs/dbraw/zinc/08/19/94/362081994.db2.gz ANSCLKQAQSBABX-VIFPVBQESA-N 1 0 210.281 0.627 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@H](C)C[NH3+] ZINC000237541671 136272200 /nfs/dbraw/zinc/27/22/00/136272200.db2.gz VPEABRNIUXYBRB-NXEZZACHSA-N 1 0 214.309 0.679 20 30 BCEDRO CC#CCC[NH2+]C[C@@H](O)Cn1cccn1 ZINC000125688263 343174385 /nfs/dbraw/zinc/17/43/85/343174385.db2.gz UCYDPEVOTUWAEK-LLVKDONJSA-N 1 0 207.277 0.247 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)CC1(C#N)CC1 ZINC000590289931 346930010 /nfs/dbraw/zinc/93/00/10/346930010.db2.gz YHFNDPAAUDVEBR-UHFFFAOYSA-N 1 0 209.293 0.700 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@@H](CO)c1ccccc1 ZINC000178560485 136274658 /nfs/dbraw/zinc/27/46/58/136274658.db2.gz XRLFSNLQZMFMEW-NSHDSACASA-N 1 0 221.304 0.639 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)c2ccnc(C#N)c2)CC1 ZINC000194986017 136276302 /nfs/dbraw/zinc/27/63/02/136276302.db2.gz BGPYCKYUQHJMBL-UHFFFAOYSA-N 1 0 244.298 0.731 20 30 BCEDRO CNC(=O)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000308935100 136274159 /nfs/dbraw/zinc/27/41/59/136274159.db2.gz KQPGDZFCBQMVJD-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO CCc1cccc(NC(=[NH2+])NCCO)c1 ZINC000264096353 136281325 /nfs/dbraw/zinc/28/13/25/136281325.db2.gz MAORAFHXUDKYNP-UHFFFAOYSA-N 1 0 207.277 0.968 20 30 BCEDRO C=CCOCCn1cc([C@@H]2CCC[NH2+]C2)nn1 ZINC000641029150 362143818 /nfs/dbraw/zinc/14/38/18/362143818.db2.gz ABLVTMRGTILYRB-LLVKDONJSA-N 1 0 236.319 0.948 20 30 BCEDRO C=CCOCCn1cc([C@@H](C)[NH2+]C)nn1 ZINC000641030200 362144030 /nfs/dbraw/zinc/14/40/30/362144030.db2.gz UHKXKDAXHDNSSN-SECBINFHSA-N 1 0 210.281 0.761 20 30 BCEDRO N/C(=N\O)[C@@H]1CCCC[N@@H+]1CCCF ZINC000088025482 136283662 /nfs/dbraw/zinc/28/36/62/136283662.db2.gz AONKCVIUERYQLN-QMMMGPOBSA-N 1 0 203.261 0.947 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC([NH3+])CC1 ZINC000122329851 136277898 /nfs/dbraw/zinc/27/78/98/136277898.db2.gz FITMUHQATJGNDA-UHFFFAOYSA-N 1 0 218.322 0.315 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]CCc1cccc(C#N)c1 ZINC000343523206 343252307 /nfs/dbraw/zinc/25/23/07/343252307.db2.gz FFWDJSLCLZKHOZ-SNVBAGLBSA-N 1 0 231.299 0.954 20 30 BCEDRO COCCO[C@H]1CC[N@H+](CCOCCC#N)C1 ZINC000339112221 136280318 /nfs/dbraw/zinc/28/03/18/136280318.db2.gz USGMWXRHPVFQFX-LBPRGKRZSA-N 1 0 242.319 0.654 20 30 BCEDRO C=CCOCC[N@H+]1C[C@H](COC)O[C@@H](C)C1 ZINC000339112356 136280370 /nfs/dbraw/zinc/28/03/70/136280370.db2.gz MZQQVPUTMYMECO-NWDGAFQWSA-N 1 0 229.320 0.925 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCC(=O)N[C@H]1C1CC1 ZINC000339167049 136280611 /nfs/dbraw/zinc/28/06/11/136280611.db2.gz GCUNKOMJSVXIKS-YPMHNXCESA-N 1 0 238.331 0.836 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+](C)CC(C)(C)CO ZINC000295125334 136290262 /nfs/dbraw/zinc/29/02/62/136290262.db2.gz AGWGRELGLFGPGC-JTQLQIEISA-N 1 0 228.336 0.627 20 30 BCEDRO CO/N=C/c1ccc(C(=O)N[C@H](C)C[NH3+])cc1 ZINC000274457052 136285066 /nfs/dbraw/zinc/28/50/66/136285066.db2.gz UGSTVLVESPEJPD-MBBDXHFBSA-N 1 0 235.287 0.744 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@H](O)CCc2ccccc2)N1 ZINC000284934141 136287260 /nfs/dbraw/zinc/28/72/60/136287260.db2.gz CSQAWAYSSOEJGS-WCQYABFASA-N 1 0 247.342 0.917 20 30 BCEDRO CCc1nn(CCC[NH3+])c(=O)c(C#N)c1CC ZINC000584051213 343307015 /nfs/dbraw/zinc/30/70/15/343307015.db2.gz NGBKWEHRJBJNBQ-UHFFFAOYSA-N 1 0 234.303 0.589 20 30 BCEDRO CO[C@H]1C[C@@H](CO)[N@H+](Cc2cc(C#N)n(C)c2)C1 ZINC000344151437 343363788 /nfs/dbraw/zinc/36/37/88/343363788.db2.gz VETIUVUFFIQIBJ-STQMWFEESA-N 1 0 249.314 0.478 20 30 BCEDRO C=C(C)CCn1cc(Cn2cc(C[NH3+])cn2)nn1 ZINC000641069435 362181583 /nfs/dbraw/zinc/18/15/83/362181583.db2.gz IDQOWUCRRPIADI-UHFFFAOYSA-N 1 0 246.318 0.948 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCn1c(C)ncc1[N+](=O)[O-] ZINC000602907434 349806904 /nfs/dbraw/zinc/80/69/04/349806904.db2.gz ZBFYUUJOGJYITP-SECBINFHSA-N 1 0 240.263 0.236 20 30 BCEDRO C=CCOCCNC(=O)NCCC[NH2+]C ZINC000669555156 488215904 /nfs/dbraw/zinc/21/59/04/488215904.db2.gz CHCOJWBAMKZTMO-UHFFFAOYSA-N 1 0 215.297 0.098 20 30 BCEDRO C=CCOCCNC(=O)NC[C@H](C)C[NH3+] ZINC000669555265 488216072 /nfs/dbraw/zinc/21/60/72/488216072.db2.gz MKWROSPXVIZGGJ-SECBINFHSA-N 1 0 215.297 0.083 20 30 BCEDRO C=CCCCN(C)C(=O)CCOC1C[NH2+]C1 ZINC000349046679 136320949 /nfs/dbraw/zinc/32/09/49/136320949.db2.gz FUHTUXQLVHTUKS-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO COCCN1CC[C@H]([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000349386504 136344314 /nfs/dbraw/zinc/34/43/14/136344314.db2.gz ZRMMRZBSLHBAOL-XQQFMLRXSA-N 1 0 237.347 0.989 20 30 BCEDRO C=C(C)[C@H](CO)n1cc([C@@H](C)[NH2+]C)nn1 ZINC000641083424 362204020 /nfs/dbraw/zinc/20/40/20/362204020.db2.gz BLKULAMLFZWLPL-SCZZXKLOSA-N 1 0 210.281 0.668 20 30 BCEDRO C=C(C)[C@@H](CO)n1cc(CC[NH+](C)C)nn1 ZINC000641084567 362207425 /nfs/dbraw/zinc/20/74/25/362207425.db2.gz NTXCMTROECDXLE-LLVKDONJSA-N 1 0 224.308 0.492 20 30 BCEDRO C=CCOCCNC(=O)NCC[C@H](C)[NH3+] ZINC000669555415 488216756 /nfs/dbraw/zinc/21/67/56/488216756.db2.gz WLZIJUKFUBNKRS-VIFPVBQESA-N 1 0 215.297 0.226 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CCN(C)[C@H](C)[C@H]1C ZINC000335850522 136355297 /nfs/dbraw/zinc/35/52/97/136355297.db2.gz HFGKGCZXEPMWHJ-GHMZBOCLSA-N 1 0 246.376 0.917 20 30 BCEDRO C=CC1CCN(C(=O)C[C@H]2C[NH2+]CCO2)CC1 ZINC000335898407 136359558 /nfs/dbraw/zinc/35/95/58/136359558.db2.gz PHSAAPDCNVJDAN-LBPRGKRZSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCN1CC[C@H](n2cc([C@@H](C)[NH2+]C)nn2)C1=O ZINC000641108832 362226498 /nfs/dbraw/zinc/22/64/98/362226498.db2.gz MZVJIEYIZNBPPB-KOLCDFICSA-N 1 0 249.318 0.518 20 30 BCEDRO C=CCN1CC[C@H](n2cc([C@H](C)[NH2+]C)nn2)C1=O ZINC000641108836 362226825 /nfs/dbraw/zinc/22/68/25/362226825.db2.gz MZVJIEYIZNBPPB-ONGXEEELSA-N 1 0 249.318 0.518 20 30 BCEDRO C=CCN1CC[C@@H](n2cc(CCC[NH3+])nn2)C1=O ZINC000641107721 362228436 /nfs/dbraw/zinc/22/84/36/362228436.db2.gz DOQDZBFKKIDRCJ-LLVKDONJSA-N 1 0 249.318 0.129 20 30 BCEDRO Cn1nncc1C[NH2+]CC1(CC#N)CC1 ZINC000308924006 346941416 /nfs/dbraw/zinc/94/14/16/346941416.db2.gz KAVGNPLKNOAGLB-UHFFFAOYSA-N 1 0 205.265 0.599 20 30 BCEDRO N#Cc1csc(C[NH2+]CCCn2ccnn2)n1 ZINC000352861408 136372597 /nfs/dbraw/zinc/37/25/97/136372597.db2.gz HWZAVCBEXPIPQL-UHFFFAOYSA-N 1 0 248.315 0.786 20 30 BCEDRO C[C@H]1C[NH+]=C(NCC2(CO)CC3(CCC3)C2)N1 ZINC000262674578 136374792 /nfs/dbraw/zinc/37/47/92/136374792.db2.gz SQYIUYYRYSXVSM-JTQLQIEISA-N 1 0 237.347 0.867 20 30 BCEDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1CC1(CC#N)CC1 ZINC000602895622 349812627 /nfs/dbraw/zinc/81/26/27/349812627.db2.gz BHUGCPSZXLRBMK-MNOVXSKESA-N 1 0 224.304 0.498 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1C[C@@H](O)C[C@]1(C)CO ZINC000602898038 349815014 /nfs/dbraw/zinc/81/50/14/349815014.db2.gz KNUWNTWYNGDKOV-CMPLNLGQSA-N 1 0 226.320 0.744 20 30 BCEDRO CCN(CCC#N)C[C@H](O)C[N@H+](C)CCOC ZINC000310527431 343524427 /nfs/dbraw/zinc/52/44/27/343524427.db2.gz NIEWWWRNAFPNGK-GFCCVEGCSA-N 1 0 243.351 0.161 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[NH+](C(C)(C)CC)CC1 ZINC000616702251 343544597 /nfs/dbraw/zinc/54/45/97/343544597.db2.gz ZSYLODFVWPTMRF-LLVKDONJSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCCCNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000580551242 365755224 /nfs/dbraw/zinc/75/52/24/365755224.db2.gz GTHLIHMFNJOWDO-VHSXEESVSA-N 1 0 241.335 0.311 20 30 BCEDRO COCC#CC[N@@H+](CCOC)[C@H]1CCOC1 ZINC000683802574 488223763 /nfs/dbraw/zinc/22/37/63/488223763.db2.gz YYBXSSIGLSIJKZ-LBPRGKRZSA-N 1 0 227.304 0.374 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N(C)CC1C[NH+](C)C1 ZINC000618190896 343559209 /nfs/dbraw/zinc/55/92/09/343559209.db2.gz KZDVJZGNCJUAIA-GFCCVEGCSA-N 1 0 226.320 0.334 20 30 BCEDRO C[C@@H](CNC(=O)c1ccc(C#N)cn1)C[NH+](C)C ZINC000310817175 343583047 /nfs/dbraw/zinc/58/30/47/343583047.db2.gz GVFLUXUYNIUTCW-JTQLQIEISA-N 1 0 246.314 0.881 20 30 BCEDRO C=CCOCCCC(=O)N(C)CC1C[NH+](C)C1 ZINC000618193389 343594222 /nfs/dbraw/zinc/59/42/22/343594222.db2.gz UWDASGWIQQTVPJ-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO C[N@@H+]1CCN(CCC(C)(C)C#N)[C@@H](CO)C1 ZINC000602905419 349818521 /nfs/dbraw/zinc/81/85/21/349818521.db2.gz NXJMYMOEYCYRIU-LLVKDONJSA-N 1 0 225.336 0.535 20 30 BCEDRO COC[C@@](C)(CO)[NH2+]CCCSCC#N ZINC000602931083 349822434 /nfs/dbraw/zinc/82/24/34/349822434.db2.gz FUTBYZINKDAVKH-SNVBAGLBSA-N 1 0 232.349 0.620 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1C[C@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000602936369 349824375 /nfs/dbraw/zinc/82/43/75/349824375.db2.gz PIHUUYZQGJNMOW-TVYUQYBPSA-N 1 0 249.314 0.663 20 30 BCEDRO CO[C@H]1C[N@H+](CCOCCC#N)[C@@](C)(CO)C1 ZINC000602963802 349826313 /nfs/dbraw/zinc/82/63/13/349826313.db2.gz IPLATKFCDYXLTD-VXGBXAGGSA-N 1 0 242.319 0.388 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)C2(C#N)CCC2)C1 ZINC000083798260 343671999 /nfs/dbraw/zinc/67/19/99/343671999.db2.gz QHZWBNFXNBWFEY-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCOc1ccccc1C[N@@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093483657 537800648 /nfs/dbraw/zinc/80/06/48/537800648.db2.gz SOGGUBHCHOVPQJ-BETUJISGSA-N 1 0 249.310 0.789 20 30 BCEDRO CC#CCN1C[C@@H](OC)C[C@]1(C)C(=O)OC ZINC000602953084 349829083 /nfs/dbraw/zinc/82/90/83/349829083.db2.gz PODNWTNIFYYXEA-CMPLNLGQSA-N 1 0 225.288 0.662 20 30 BCEDRO N#Cc1cnccc1NCC[NH+]1CCC1 ZINC000380189818 343690182 /nfs/dbraw/zinc/69/01/82/343690182.db2.gz OJKSLOXXEMSPMI-UHFFFAOYSA-N 1 0 202.261 0.493 20 30 BCEDRO CC[NH+]1CCN(CCOCCC#N)CC1 ZINC000338896229 343691900 /nfs/dbraw/zinc/69/19/00/343691900.db2.gz VAUGQVOTRZXCMO-UHFFFAOYSA-N 1 0 211.309 0.554 20 30 BCEDRO COC[C@@H](O)C[N@H+](C)[C@@H]1CCC[C@H]1C#N ZINC000602980291 349845050 /nfs/dbraw/zinc/84/50/50/349845050.db2.gz OGERUGOISBODGK-GARJFASQSA-N 1 0 212.293 0.618 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)C[C@@](C)(O)C1CC1 ZINC000634721360 343727195 /nfs/dbraw/zinc/72/71/95/343727195.db2.gz XTCOULPWWNFLLL-FRRDWIJNSA-N 1 0 243.347 0.425 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H](O)C[C@](C)(O)C1CC1 ZINC000634721359 343727279 /nfs/dbraw/zinc/72/72/79/343727279.db2.gz XTCOULPWWNFLLL-AGIUHOORSA-N 1 0 243.347 0.425 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)C[C@](C)(O)C1CC1 ZINC000634721362 343727283 /nfs/dbraw/zinc/72/72/83/343727283.db2.gz XTCOULPWWNFLLL-UPJWGTAASA-N 1 0 243.347 0.425 20 30 BCEDRO Cc1nc(C(=O)N(C)CC[NH3+])ccc1C#N ZINC000584180042 343770091 /nfs/dbraw/zinc/77/00/91/343770091.db2.gz XKIBMNLHQDHTSF-UHFFFAOYSA-N 1 0 218.260 0.292 20 30 BCEDRO C=CCNC(=[NH2+])NCC(C)(C)C(=O)NCC ZINC000178726134 346964574 /nfs/dbraw/zinc/96/45/74/346964574.db2.gz NTFMTARPYQTASQ-UHFFFAOYSA-N 1 0 226.324 0.239 20 30 BCEDRO CCC[C@H](O)C[NH+]1CCN(CCC#N)CC1 ZINC000603016774 349857080 /nfs/dbraw/zinc/85/70/80/349857080.db2.gz JUTKAWFVHOTIDG-LBPRGKRZSA-N 1 0 225.336 0.679 20 30 BCEDRO CCC[C@@H](O)C[NH+]1CCN(CCC#N)CC1 ZINC000603016766 349857395 /nfs/dbraw/zinc/85/73/95/349857395.db2.gz JUTKAWFVHOTIDG-GFCCVEGCSA-N 1 0 225.336 0.679 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNC(=O)CC1(C#N)CC1 ZINC000590313430 346972889 /nfs/dbraw/zinc/97/28/89/346972889.db2.gz VCNCVROODBEVQK-LLVKDONJSA-N 1 0 239.319 0.109 20 30 BCEDRO N#CCSCCC[N@H+]1C[C@H](O)C[C@H]1CO ZINC000179171000 346976329 /nfs/dbraw/zinc/97/63/29/346976329.db2.gz VNNOEZYJJPIUAE-VHSXEESVSA-N 1 0 230.333 0.061 20 30 BCEDRO C[NH+](C)C1CN(C(=O)CC2(C#N)CC2)C1 ZINC000590319106 346976590 /nfs/dbraw/zinc/97/65/90/346976590.db2.gz RCEQDVBTIBKREH-UHFFFAOYSA-N 1 0 207.277 0.453 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@@H](CC[NH3+])C(F)F ZINC000418746786 192066745 /nfs/dbraw/zinc/06/67/45/192066745.db2.gz YASFGWQXRIWKDE-BQBZGAKWSA-N 1 0 221.251 0.843 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@@H]1C[NH2+]CCN1C ZINC000418753204 192066790 /nfs/dbraw/zinc/06/67/90/192066790.db2.gz CUWQHFPVTDZSMB-QWRGUYRKSA-N 1 0 240.351 0.154 20 30 BCEDRO C=C(C)CN(C)C(=O)NC[C@H]1C[NH2+]CCN1C ZINC000418753741 192066658 /nfs/dbraw/zinc/06/66/58/192066658.db2.gz DGUHQHMYZQFXDR-LLVKDONJSA-N 1 0 240.351 0.108 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@H]1C[NH2+]CCCO1 ZINC000418786102 192067318 /nfs/dbraw/zinc/06/73/18/192067318.db2.gz INFYAQMLENWLQF-GHMZBOCLSA-N 1 0 241.335 0.629 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc([C@H]([NH3+])C(C)C)nn1 ZINC000603234359 349892439 /nfs/dbraw/zinc/89/24/39/349892439.db2.gz KSVMYPJXFDISCV-NXEZZACHSA-N 1 0 238.291 0.834 20 30 BCEDRO CC(C)N1CC(NC(=O)c2ccc(C#N)cn2)C1 ZINC000393590137 343895978 /nfs/dbraw/zinc/89/59/78/343895978.db2.gz HVXQMUQOENGVRG-UHFFFAOYSA-N 1 0 244.298 0.776 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[C@H](C[NH3+])C1 ZINC000418794693 192067807 /nfs/dbraw/zinc/06/78/07/192067807.db2.gz RMBFFDNNDNAQIS-UWVGGRQHSA-N 1 0 209.293 0.436 20 30 BCEDRO CC[NH2+]Cc1cn(CC2(C#N)CC2)nn1 ZINC000603226512 349889375 /nfs/dbraw/zinc/88/93/75/349889375.db2.gz CSMCOXPMMJKDOW-UHFFFAOYSA-N 1 0 205.265 0.691 20 30 BCEDRO CC[N@@H+]1CC[C@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000334804309 343908097 /nfs/dbraw/zinc/90/80/97/343908097.db2.gz AJRLOGUZGZOPPR-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc([C@H]([NH3+])C(C)C)nn1 ZINC000603234364 349892332 /nfs/dbraw/zinc/89/23/32/349892332.db2.gz KSVMYPJXFDISCV-VHSXEESVSA-N 1 0 238.291 0.834 20 30 BCEDRO C=C(C)CNC(=O)N[C@H]1CC[C@@H](C[NH3+])C1 ZINC000418796755 192067886 /nfs/dbraw/zinc/06/78/86/192067886.db2.gz UEUMIQVETFMFNZ-ZJUUUORDSA-N 1 0 211.309 0.989 20 30 BCEDRO COC[C@@H](C[NH2+]Cc1cccc(C#N)n1)OC ZINC000602597475 343929780 /nfs/dbraw/zinc/92/97/80/343929780.db2.gz QZNMSPYNMPPECA-GFCCVEGCSA-N 1 0 235.287 0.704 20 30 BCEDRO C=C(C)COCC[NH2+][C@H](C)CC(N)=O ZINC000090451210 343931841 /nfs/dbraw/zinc/93/18/41/343931841.db2.gz ZSVSXIZKINXXKL-SECBINFHSA-N 1 0 200.282 0.433 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CCS(=O)(=O)N(C)C)C1 ZINC000625701238 344041797 /nfs/dbraw/zinc/04/17/97/344041797.db2.gz HXJVDMXRHQAFIU-LLVKDONJSA-N 1 0 246.376 0.776 20 30 BCEDRO CC(C)(C#N)CCN1CCOC[C@H]1CO ZINC000159084228 347020275 /nfs/dbraw/zinc/02/02/75/347020275.db2.gz PECMQZXPASNZRR-SNVBAGLBSA-N 1 0 212.293 0.619 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@]1(CO)CC[C@@H](C)C1 ZINC000187948200 259371951 /nfs/dbraw/zinc/37/19/51/259371951.db2.gz CZOQPBVNWYXPII-DGCLKSJQSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCC[C@H](O)Cn1cc(CCC[NH3+])nn1 ZINC000641212557 362275304 /nfs/dbraw/zinc/27/53/04/362275304.db2.gz LUASTUDTXLMSIW-NSHDSACASA-N 1 0 224.308 0.497 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@H]2CCC[C@H]2O)n1 ZINC000602687932 343962619 /nfs/dbraw/zinc/96/26/19/343962619.db2.gz RAJCFFRLYNQCAG-VXGBXAGGSA-N 1 0 217.272 0.956 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000625702328 344053538 /nfs/dbraw/zinc/05/35/38/344053538.db2.gz XJTGIYLKGQGNGM-JTQLQIEISA-N 1 0 232.349 0.434 20 30 BCEDRO C[C@@H]1CC[C@@](CO)([N@H+](C)CC(=O)NCC#N)C1 ZINC000187988637 259372604 /nfs/dbraw/zinc/37/26/04/259372604.db2.gz KJHUVTNMKZSHDD-ZYHUDNBSSA-N 1 0 239.319 0.109 20 30 BCEDRO CC#CC[NH+]1CCC(n2cc(C(N)=O)nn2)CC1 ZINC000625806577 344081276 /nfs/dbraw/zinc/08/12/76/344081276.db2.gz HUNQURBMRLHMLH-UHFFFAOYSA-N 1 0 247.302 0.037 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc([C@@H](C)[NH2+]C)nn1 ZINC000603238386 349904460 /nfs/dbraw/zinc/90/44/60/349904460.db2.gz WROUXNYKVVEPAU-APPZFPTMSA-N 1 0 224.264 0.459 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634743343 344161358 /nfs/dbraw/zinc/16/13/58/344161358.db2.gz QTXIGZVNWWGRRN-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+](C)[C@@H]1CCCCN(C)C1=O ZINC000634743346 344161442 /nfs/dbraw/zinc/16/14/42/344161442.db2.gz QTXIGZVNWWGRRN-VXGBXAGGSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCCC(=O)N[C@H](C)CN1CC[NH+](C)CC1 ZINC000106819788 347035282 /nfs/dbraw/zinc/03/52/82/347035282.db2.gz HPAXAAPRXKHRMV-GFCCVEGCSA-N 1 0 239.363 0.705 20 30 BCEDRO C#CCSCC[NH2+][C@@H](C)CC(=O)NC ZINC000129994438 344217289 /nfs/dbraw/zinc/21/72/89/344217289.db2.gz ZJAOROKQHLYMGY-VIFPVBQESA-N 1 0 214.334 0.467 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000128203808 344204856 /nfs/dbraw/zinc/20/48/56/344204856.db2.gz GWZFKLNTISNUEF-NXEZZACHSA-N 1 0 228.336 0.803 20 30 BCEDRO C=CCC[C@H](O)C[NH2+][C@H](C(N)=O)C(C)(C)C ZINC000128204316 344204934 /nfs/dbraw/zinc/20/49/34/344204934.db2.gz GWZFKLNTISNUEF-VHSXEESVSA-N 1 0 228.336 0.803 20 30 BCEDRO N#CC1(CNC[C@@H](O)C[NH+]2CCCC2)CCC1 ZINC000600734527 344364723 /nfs/dbraw/zinc/36/47/23/344364723.db2.gz DKTZGGNFSYISCC-GFCCVEGCSA-N 1 0 237.347 0.727 20 30 BCEDRO N#CCC1(CNC[C@H](O)C[NH+]2CCCC2)CC1 ZINC000600735162 344365031 /nfs/dbraw/zinc/36/50/31/344365031.db2.gz KEVMNJVCJUGMID-LBPRGKRZSA-N 1 0 237.347 0.727 20 30 BCEDRO CCN(C)C(=O)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600735555 344365123 /nfs/dbraw/zinc/36/51/23/344365123.db2.gz NRNKMFFVLFLXQU-SNVBAGLBSA-N 1 0 239.319 0.109 20 30 BCEDRO N#CCCCNC[C@@H](O)C[NH+]1CCCC1 ZINC000600737305 344365626 /nfs/dbraw/zinc/36/56/26/344365626.db2.gz VSSHVZOHHZLGIL-LLVKDONJSA-N 1 0 211.309 0.336 20 30 BCEDRO CC[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600737743 344365939 /nfs/dbraw/zinc/36/59/39/344365939.db2.gz INBKWNDNQJQPJV-NXEZZACHSA-N 1 0 212.293 0.402 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@H]2CC[C@H](O)CC2)CC1 ZINC000600737528 344365968 /nfs/dbraw/zinc/36/59/68/344365968.db2.gz VSYRMJPQOFSGGW-IJLUTSLNSA-N 1 0 238.331 0.934 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600745138 344366854 /nfs/dbraw/zinc/36/68/54/344366854.db2.gz QYFHNVUNGFAEPC-GHMZBOCLSA-N 1 0 224.304 0.568 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+]C[C@H](O)C2CC2)CC1 ZINC000600740798 344367026 /nfs/dbraw/zinc/36/70/26/344367026.db2.gz BYUTZPNMQCVTFB-QWRGUYRKSA-N 1 0 224.304 0.402 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600745148 344367091 /nfs/dbraw/zinc/36/70/91/344367091.db2.gz QYFHNVUNGFAEPC-WDEREUQCSA-N 1 0 224.304 0.568 20 30 BCEDRO C[C@H](CCO)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600741226 344367381 /nfs/dbraw/zinc/36/73/81/344367381.db2.gz CRHCNVQCNINMEY-MNOVXSKESA-N 1 0 226.320 0.649 20 30 BCEDRO C[C@@H](CCO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600741213 344367496 /nfs/dbraw/zinc/36/74/96/344367496.db2.gz CLGVUILDRMADJZ-VHSXEESVSA-N 1 0 212.293 0.402 20 30 BCEDRO C/C=C\C[C@H](CO)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600745078 344367844 /nfs/dbraw/zinc/36/78/44/344367844.db2.gz QTIYYJNVYVZZLY-JDEDCZITSA-N 1 0 238.331 0.958 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CC2(CCO)CC2)CC1 ZINC000600749344 344368244 /nfs/dbraw/zinc/36/82/44/344368244.db2.gz QIJLDLXHIDNVBJ-LLVKDONJSA-N 1 0 238.331 0.793 20 30 BCEDRO COC[C@@H](C)C[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600719299 344362476 /nfs/dbraw/zinc/36/24/76/344362476.db2.gz CWMJWZZDBNUWRB-QWRGUYRKSA-N 1 0 226.320 0.913 20 30 BCEDRO C[C@H](C#N)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600727695 344363480 /nfs/dbraw/zinc/36/34/80/344363480.db2.gz QHVQVMIJIJHIPM-NXEZZACHSA-N 1 0 207.277 0.790 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+][C@@H]2CCOC2)CC1 ZINC000600724591 344363491 /nfs/dbraw/zinc/36/34/91/344363491.db2.gz BPWTZMNHJJNUCK-NXEZZACHSA-N 1 0 210.277 0.420 20 30 BCEDRO COCC(COC)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600736891 344363628 /nfs/dbraw/zinc/36/36/28/344363628.db2.gz SJCPIVXCCJPYIL-NSHDSACASA-N 1 0 242.319 0.292 20 30 BCEDRO COCC(COC)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600736890 344363636 /nfs/dbraw/zinc/36/36/36/344363636.db2.gz SJCPIVXCCJPYIL-LLVKDONJSA-N 1 0 242.319 0.292 20 30 BCEDRO C[C@@H](C#N)C[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600727697 344363968 /nfs/dbraw/zinc/36/39/68/344363968.db2.gz QHVQVMIJIJHIPM-VHSXEESVSA-N 1 0 207.277 0.790 20 30 BCEDRO Cc1cc(C[NH2+]C[C@H](O)CC2(C#N)CC2)ncn1 ZINC000600730472 344364154 /nfs/dbraw/zinc/36/41/54/344364154.db2.gz HVVYTZYJEBFNQZ-GFCCVEGCSA-N 1 0 246.314 0.929 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600734347 344364490 /nfs/dbraw/zinc/36/44/90/344364490.db2.gz IVNUWYKRQYKGDJ-LLVKDONJSA-N 1 0 224.304 0.833 20 30 BCEDRO C[C@H](O)CCC[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600746897 344368721 /nfs/dbraw/zinc/36/87/21/344368721.db2.gz YKJPRFLPSIJYDU-WDEREUQCSA-N 1 0 226.320 0.792 20 30 BCEDRO C[C@H](O)C[C@H](C)[NH2+]C[C@H](O)CC1(C#N)CC1 ZINC000600745997 344368729 /nfs/dbraw/zinc/36/87/29/344368729.db2.gz UHUCHVWHFGXMKD-GARJFASQSA-N 1 0 226.320 0.790 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@H]2C[C@H](O)C2)CC1 ZINC000600747384 344368755 /nfs/dbraw/zinc/36/87/55/344368755.db2.gz WVAAXQPHBBZKCY-GUBZILKMSA-N 1 0 210.277 0.154 20 30 BCEDRO C[C@H](C[C@H](C)O)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000600745999 344368928 /nfs/dbraw/zinc/36/89/28/344368928.db2.gz UHUCHVWHFGXMKD-VWYCJHECSA-N 1 0 226.320 0.790 20 30 BCEDRO N#Cc1ccc(CNC[C@@H]2C[NH2+]CCO2)o1 ZINC000600768273 344370291 /nfs/dbraw/zinc/37/02/91/344370291.db2.gz FFPUHOPWNJBUQF-NSHDSACASA-N 1 0 221.260 0.229 20 30 BCEDRO C[NH+]1CCC(C(=O)NCC2(C#N)CC2)CC1 ZINC000584270052 344372751 /nfs/dbraw/zinc/37/27/51/344372751.db2.gz JRQCAOZOWFFECJ-UHFFFAOYSA-N 1 0 221.304 0.748 20 30 BCEDRO C[N@H+](CC(=O)N1CC(C#N)C1)C1CCC1 ZINC000600824793 344380859 /nfs/dbraw/zinc/38/08/59/344380859.db2.gz PPOHCDKWVWGABS-UHFFFAOYSA-N 1 0 207.277 0.453 20 30 BCEDRO C[NH+](C)CCNC(=O)C1(C#N)CC2(CC2)C1 ZINC000600890675 344389341 /nfs/dbraw/zinc/38/93/41/344389341.db2.gz MCGRNKPHYRIWEY-UHFFFAOYSA-N 1 0 221.304 0.748 20 30 BCEDRO C[C@@H]1C[N@H+](C)CCN1c1ccnc(C#N)n1 ZINC000380839551 344443454 /nfs/dbraw/zinc/44/34/54/344443454.db2.gz TULBKLFJABLLPR-SECBINFHSA-N 1 0 217.276 0.489 20 30 BCEDRO CC(=O)N1CC[NH+](CCCCC#N)CC1 ZINC000042221918 344446960 /nfs/dbraw/zinc/44/69/60/344446960.db2.gz SBIVATGCQRTBNO-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO CC[N@H+](CCC(=O)N(C)C)C[C@@H](C)C#N ZINC000042323703 344450283 /nfs/dbraw/zinc/45/02/83/344450283.db2.gz FTVKIARDHPQARW-JTQLQIEISA-N 1 0 211.309 0.946 20 30 BCEDRO C[C@@H](CC(N)=O)[NH2+]Cc1ccc(C#N)s1 ZINC000135511954 344502142 /nfs/dbraw/zinc/50/21/42/344502142.db2.gz NUNVJNDPHASKBB-ZETCQYMHSA-N 1 0 223.301 0.973 20 30 BCEDRO C[C@@](O)(CO)C[NH2+]Cc1cccc(C#N)c1 ZINC000085250981 344512859 /nfs/dbraw/zinc/51/28/59/344512859.db2.gz OXWCHNOCBMNOPJ-LBPRGKRZSA-N 1 0 220.272 0.391 20 30 BCEDRO C[C@@](O)(CO)C[NH2+]Cc1ccc(C#N)cc1 ZINC000085251217 344513440 /nfs/dbraw/zinc/51/34/40/344513440.db2.gz LCDZUCCRCBTSRU-LBPRGKRZSA-N 1 0 220.272 0.391 20 30 BCEDRO N#CCC1(CN2C[C@H]3C[NH2+]C[C@@H]3C2)CC1 ZINC000085283366 344516692 /nfs/dbraw/zinc/51/66/92/344516692.db2.gz IEYCBAYHKXMBLB-GHMZBOCLSA-N 1 0 205.305 0.831 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)CC1(O)CCCC1 ZINC000152315187 344518428 /nfs/dbraw/zinc/51/84/28/344518428.db2.gz OEWOZUZBUACRNM-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO C[C@@H](CC[NH+](C)C)NC(=O)C(C)(C)C#N ZINC000044752731 344546170 /nfs/dbraw/zinc/54/61/70/344546170.db2.gz DFOFCRBBZPCLOT-VIFPVBQESA-N 1 0 211.309 0.993 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cc(C#N)ccn2)C1 ZINC000259163417 344546461 /nfs/dbraw/zinc/54/64/61/344546461.db2.gz VNIKGJYZMGGIAG-LLVKDONJSA-N 1 0 244.298 0.777 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1CNC(=O)[C@@H](C)C#N ZINC000044811521 344549032 /nfs/dbraw/zinc/54/90/32/344549032.db2.gz YPGIWEGPVILFND-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)c2cnccc2C#N)C1 ZINC000259186133 344550466 /nfs/dbraw/zinc/55/04/66/344550466.db2.gz WJSGGCVSUCEMAR-LLVKDONJSA-N 1 0 244.298 0.777 20 30 BCEDRO CC[N@@H+]1CC[C@H](CNC(=O)[C@@H](C)C#N)C1 ZINC000044823690 344551250 /nfs/dbraw/zinc/55/12/50/344551250.db2.gz KSCJGMDDRFMTLA-VHSXEESVSA-N 1 0 209.293 0.604 20 30 BCEDRO N#CC[C@H]1CCC[N@H+](CCN2CCOCC2)C1 ZINC000259198916 344551315 /nfs/dbraw/zinc/55/13/15/344551315.db2.gz ISGXCTOBPYVTNZ-CYBMUJFWSA-N 1 0 237.347 0.944 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000044828245 344552062 /nfs/dbraw/zinc/55/20/62/344552062.db2.gz LZVGJDSJBMOZJK-RKDXNWHRSA-N 1 0 207.277 0.499 20 30 BCEDRO C[C@H](C#N)C(=O)NCC1CC[NH+](C)CC1 ZINC000044828044 344552140 /nfs/dbraw/zinc/55/21/40/344552140.db2.gz DLISVMRRWDQODY-SECBINFHSA-N 1 0 209.293 0.604 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N2CCC(C#N)CC2)C1 ZINC000259328500 344579213 /nfs/dbraw/zinc/57/92/13/344579213.db2.gz DMWZBMPZGSUHSF-NSHDSACASA-N 1 0 221.304 0.700 20 30 BCEDRO C=C(C)[C@H](CO)N1CCO[C@H](CCF)C1 ZINC000626004551 344666385 /nfs/dbraw/zinc/66/63/85/344666385.db2.gz JVNLWSKMMDTAFY-MNOVXSKESA-N 1 0 217.284 0.984 20 30 BCEDRO C=CCNC(=O)C[N@H+]1C[C@@H]2CCC[C@]2(CO)C1 ZINC000626012379 344670090 /nfs/dbraw/zinc/67/00/90/344670090.db2.gz QHRYPXOCSHNEPJ-WCQYABFASA-N 1 0 238.331 0.383 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1[C@@H](C)[C@@H](C)O[C@H]1C ZINC000625974324 344638624 /nfs/dbraw/zinc/63/86/24/344638624.db2.gz XTVPIIBQWYBGDY-WYFGTUCQSA-N 1 0 226.320 0.690 20 30 BCEDRO C=C(C)CC[N@@H+]1CCO[C@@H](CC(N)=O)C1 ZINC000626076316 344723160 /nfs/dbraw/zinc/72/31/60/344723160.db2.gz JLSSCVYNSKBFIM-JTQLQIEISA-N 1 0 212.293 0.529 20 30 BCEDRO C[C@@](O)(CNC(=[NH2+])NC1CC1)c1ccccc1 ZINC000114629071 344692462 /nfs/dbraw/zinc/69/24/62/344692462.db2.gz KNUFRNBDAQAPPS-CYBMUJFWSA-N 1 0 233.315 0.961 20 30 BCEDRO C[C@H](CO)C[NH2+]C[C@@H]1CNc2c(C#N)cnn2C1 ZINC000609406178 344692593 /nfs/dbraw/zinc/69/25/93/344692593.db2.gz RUWBNDQCBRDAAL-VHSXEESVSA-N 1 0 249.318 0.014 20 30 BCEDRO C[C@H](CC#N)NC(=O)[C@H]1CCCC[N@@H+]1C ZINC000259843540 344694330 /nfs/dbraw/zinc/69/43/30/344694330.db2.gz FMKWJLCCPVHXPN-NXEZZACHSA-N 1 0 209.293 0.889 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000259859207 344695162 /nfs/dbraw/zinc/69/51/62/344695162.db2.gz GJWJXRVCCJZNQD-WDEREUQCSA-N 1 0 223.320 0.993 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000260049109 344704522 /nfs/dbraw/zinc/70/45/22/344704522.db2.gz PFABXHZUVNLICV-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[N@H+](CCCO)C1CCN(CC#N)CC1 ZINC000115546777 344711281 /nfs/dbraw/zinc/71/12/81/344711281.db2.gz ABXURCVVMWSSAX-UHFFFAOYSA-N 1 0 211.309 0.289 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NC(=O)c2cnnn2C)C1 ZINC000328667077 537859528 /nfs/dbraw/zinc/85/95/28/537859528.db2.gz KQZKWAKVMKKUCN-VIFPVBQESA-N 1 0 237.307 0.604 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](NC(=O)c2cnnn2C)C1 ZINC000328667076 537859592 /nfs/dbraw/zinc/85/95/92/537859592.db2.gz KQZKWAKVMKKUCN-SECBINFHSA-N 1 0 237.307 0.604 20 30 BCEDRO CC(=O)N[C@@H]1CCC[N@H+](CCCC#N)C1 ZINC000076708928 344808440 /nfs/dbraw/zinc/80/84/40/344808440.db2.gz YNVNBONIFNOXIN-LLVKDONJSA-N 1 0 209.293 0.891 20 30 BCEDRO CCN(C[C@@H](C)C#N)C(=O)CN(C)CCOC ZINC000077409179 344823482 /nfs/dbraw/zinc/82/34/82/344823482.db2.gz VZBOYLUJAFLSNZ-NSHDSACASA-N 1 0 241.335 0.573 20 30 BCEDRO C#CCNC(=O)[C@@H]1CCCN1Cc1ccccn1 ZINC000077986308 344828837 /nfs/dbraw/zinc/82/88/37/344828837.db2.gz CKORYEHVONFSIT-ZDUSSCGKSA-N 1 0 243.310 0.795 20 30 BCEDRO C=CCNC(=O)CN1CC[NH+](CCCC)CC1 ZINC000078507584 344879795 /nfs/dbraw/zinc/87/97/95/344879795.db2.gz NNGXSJGOLOYGJQ-UHFFFAOYSA-N 1 0 239.363 0.706 20 30 BCEDRO Cn1nncc1C[NH2+]Cc1cccc(C#N)c1 ZINC000135852925 344909273 /nfs/dbraw/zinc/90/92/73/344909273.db2.gz HEZHOMHNJHERFL-UHFFFAOYSA-N 1 0 227.271 0.977 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)CCc1ccccc1 ZINC000574572540 344916184 /nfs/dbraw/zinc/91/61/84/344916184.db2.gz YOBAGUSBXXZWNS-CQSZACIVSA-N 1 0 233.311 0.565 20 30 BCEDRO CN(C(=O)CSCC#N)[C@@H]1CCC[N@H+](C)C1 ZINC000153790394 344977596 /nfs/dbraw/zinc/97/75/96/344977596.db2.gz FMMHTBXKIHREMP-SNVBAGLBSA-N 1 0 241.360 0.796 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000153871888 344990370 /nfs/dbraw/zinc/99/03/70/344990370.db2.gz OJGSQKQIYNURDL-YPMHNXCESA-N 1 0 236.315 0.237 20 30 BCEDRO C[C@H](CC#N)N(C)CCN1C(=O)CCC1=O ZINC000123810653 345017217 /nfs/dbraw/zinc/01/72/17/345017217.db2.gz AMFBNVXKZJZKFT-SECBINFHSA-N 1 0 223.276 0.369 20 30 BCEDRO CO[C@]1(C)CCC[N@H+](CC(=O)NCC#N)C1 ZINC000408276965 345019262 /nfs/dbraw/zinc/01/92/62/345019262.db2.gz NAVDKXUPFGODHH-LLVKDONJSA-N 1 0 225.292 0.127 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1CC[C@H]2C[NH2+]C[C@H]21 ZINC000368192414 345028443 /nfs/dbraw/zinc/02/84/43/345028443.db2.gz GFJTWJULMPBSOP-GRYCIOLGSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CCN1CCC[C@@H]1C(=O)NCc1ccco1 ZINC000079954914 345064144 /nfs/dbraw/zinc/06/41/44/345064144.db2.gz CWNVTXJBTXMIPH-GFCCVEGCSA-N 1 0 232.283 0.993 20 30 BCEDRO C=CCOCCC[NH2+][C@@H]1CCNC(=O)CC1 ZINC000634985816 345165427 /nfs/dbraw/zinc/16/54/27/345165427.db2.gz DHBNYXPOETVVKU-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCN(CCOC)CC12CC(C1)C[NH2+]2 ZINC000634994856 345182730 /nfs/dbraw/zinc/18/27/30/345182730.db2.gz OLAHQCMBUAWSIK-UHFFFAOYSA-N 1 0 210.321 0.873 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000225181446 345124855 /nfs/dbraw/zinc/12/48/55/345124855.db2.gz GMCFPYZLDQPEHT-OUAUKWLOSA-N 1 0 225.336 0.359 20 30 BCEDRO CC[C@@H]1CN(C(=O)CC#N)CC[N@@H+]1C[C@H](C)O ZINC000408320233 345145679 /nfs/dbraw/zinc/14/56/79/345145679.db2.gz NTXDAHZJCRESPL-WDEREUQCSA-N 1 0 239.319 0.204 20 30 BCEDRO CC(C)[C@@H](CO)[NH2+]CCC(=O)N(C)CCC#N ZINC000156430528 345157535 /nfs/dbraw/zinc/15/75/35/345157535.db2.gz PRJCEJBABZDEDA-LLVKDONJSA-N 1 0 241.335 0.355 20 30 BCEDRO C#C[C@@H](NC[C@@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000381280421 345227204 /nfs/dbraw/zinc/22/72/04/345227204.db2.gz XZPCLFHMMGAGCZ-CHWSQXEVSA-N 1 0 224.348 0.689 20 30 BCEDRO C#C[C@@H](NC[C@H](O)C[N@H+](C)C1CC1)C(C)C ZINC000381280425 345227453 /nfs/dbraw/zinc/22/74/53/345227453.db2.gz XZPCLFHMMGAGCZ-QWHCGFSZSA-N 1 0 224.348 0.689 20 30 BCEDRO CCN(C[C@H](C)C#N)C(=O)Cn1ccnc1C[NH3+] ZINC000600965872 345250316 /nfs/dbraw/zinc/25/03/16/345250316.db2.gz CNRJPWWIAFDGAV-SNVBAGLBSA-N 1 0 249.318 0.350 20 30 BCEDRO C[C@@]1(CNC(=O)NCC[NH+]2CCC2)CCOC1 ZINC000328695024 537895656 /nfs/dbraw/zinc/89/56/56/537895656.db2.gz GGWUYFMFZOKJJP-LBPRGKRZSA-N 1 0 241.335 0.622 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+]1CC[C@@H](C)[C@@H]1C ZINC000248356473 345365812 /nfs/dbraw/zinc/36/58/12/345365812.db2.gz OIZYEJWNJNSLSF-ZJUUUORDSA-N 1 0 239.319 0.729 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000418890762 192088765 /nfs/dbraw/zinc/08/87/65/192088765.db2.gz SGBVXMYYYVXSPF-SNVBAGLBSA-N 1 0 241.335 0.168 20 30 BCEDRO C[C@H]([NH3+])CCC(=O)N1CCN(CCC#N)CC1 ZINC000134825586 345422753 /nfs/dbraw/zinc/42/27/53/345422753.db2.gz WXPCHFHCFXPUQV-NSHDSACASA-N 1 0 238.335 0.172 20 30 BCEDRO C=CCCC(=O)NCC1(O)CC[NH+](C)CC1 ZINC000080881360 345453696 /nfs/dbraw/zinc/45/36/96/345453696.db2.gz HSSBAOMAMDATML-UHFFFAOYSA-N 1 0 226.320 0.526 20 30 BCEDRO CNC(NC[C@@](C)(O)c1ccc(F)cc1)=[NH+]C ZINC000134173184 345402251 /nfs/dbraw/zinc/40/22/51/345402251.db2.gz HMFXKLSPQHPMCE-GFCCVEGCSA-N 1 0 239.294 0.828 20 30 BCEDRO CC[C@](C)(C#N)C(=O)NC[C@H]1CN(C)CCO1 ZINC000136271825 345494838 /nfs/dbraw/zinc/49/48/38/345494838.db2.gz ORSQMIWOCGUQGD-CMPLNLGQSA-N 1 0 239.319 0.373 20 30 BCEDRO CCN(CCC#N)CCCN1CCOCC1 ZINC000081039267 345458997 /nfs/dbraw/zinc/45/89/97/345458997.db2.gz OFCIEKMJZOUBHB-UHFFFAOYSA-N 1 0 225.336 0.944 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[NH+](C2CCC2)CC1 ZINC000378693769 345474432 /nfs/dbraw/zinc/47/44/32/345474432.db2.gz BSPWBCVDYMAQKN-GFCCVEGCSA-N 1 0 238.331 0.884 20 30 BCEDRO CCNC(=[NH2+])NC[C@](C)(O)c1ccsc1 ZINC000081665125 345483797 /nfs/dbraw/zinc/48/37/97/345483797.db2.gz UDBHMEKAMYWHHE-JTQLQIEISA-N 1 0 227.333 0.880 20 30 BCEDRO C#CCNC(=O)c1ccc(NCC[NH+](C)C)nc1 ZINC000090998374 345579315 /nfs/dbraw/zinc/57/93/15/345579315.db2.gz CPFGCEAYNKXZLF-UHFFFAOYSA-N 1 0 246.314 0.418 20 30 BCEDRO C[N@@H+]1CC[C@@H](Cn2cc([N+](=O)[O-])c(C#N)n2)C1 ZINC000603358316 349932568 /nfs/dbraw/zinc/93/25/68/349932568.db2.gz IIGRWBJPIZXAJH-MRVPVSSYSA-N 1 0 235.247 0.615 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3cnccc3C#N)C[C@@H]21 ZINC000091741753 345603892 /nfs/dbraw/zinc/60/38/92/345603892.db2.gz LPYRPAKPCJNLNY-STQMWFEESA-N 1 0 244.298 0.472 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1cccc(C(N)=O)c1 ZINC000166453563 166216583 /nfs/dbraw/zinc/21/65/83/166216583.db2.gz OWYUROUCFWBRAI-VIFPVBQESA-N 1 0 202.257 0.897 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1cc(C(N)=O)cs1 ZINC000166528332 166216714 /nfs/dbraw/zinc/21/67/14/166216714.db2.gz RJWMDXQRJPYYPT-ZETCQYMHSA-N 1 0 208.286 0.958 20 30 BCEDRO N#Cc1ccc(OC[C@H]2C[NH2+]CCO2)cc1 ZINC000070649774 345794952 /nfs/dbraw/zinc/79/49/52/345794952.db2.gz DOVWPWFTPYNQTG-GFCCVEGCSA-N 1 0 218.256 0.925 20 30 BCEDRO C=CCCOCC(=O)NCC[NH+](C)C ZINC000143109567 345891240 /nfs/dbraw/zinc/89/12/40/345891240.db2.gz DMXCYZBWPCYGMT-UHFFFAOYSA-N 1 0 200.282 0.257 20 30 BCEDRO C=CC[C@@H](CO)CNC(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000635767502 346057928 /nfs/dbraw/zinc/05/79/28/346057928.db2.gz TYYBDMDUCJQJOH-NWDGAFQWSA-N 1 0 240.347 0.629 20 30 BCEDRO CCOC1CC(C[NH+]2CCN(CC#N)CC2)C1 ZINC000586767154 346075184 /nfs/dbraw/zinc/07/51/84/346075184.db2.gz CDWQVTFQELBHQF-UHFFFAOYSA-N 1 0 237.347 0.943 20 30 BCEDRO CO[C@H]1CCC[C@@H]([NH2+]CCn2cnc(C#N)n2)C1 ZINC000586782563 346103286 /nfs/dbraw/zinc/10/32/86/346103286.db2.gz LFCNJAJRASRREY-MNOVXSKESA-N 1 0 249.318 0.697 20 30 BCEDRO CC#CCCNC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000635778625 346062941 /nfs/dbraw/zinc/06/29/41/346062941.db2.gz MSFPLFUELGYFIV-NSHDSACASA-N 1 0 208.305 0.858 20 30 BCEDRO CC[N@@H+]1CCCN(c2cc(C#N)ncn2)CC1 ZINC000307894414 346104719 /nfs/dbraw/zinc/10/47/19/346104719.db2.gz JFSNDBPPUSISHA-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C[C@H]1NC(=O)CC[C@@H]1[NH2+]CC1(C#N)CC1 ZINC000332011668 346170654 /nfs/dbraw/zinc/17/06/54/346170654.db2.gz TXSYGUNZFNKQEL-BDAKNGLRSA-N 1 0 207.277 0.547 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@H]2COCC[NH2+]2)cc1 ZINC000236408842 346236745 /nfs/dbraw/zinc/23/67/45/346236745.db2.gz QRXRHBPNWIWJAR-LBPRGKRZSA-N 1 0 245.282 0.276 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C)n(C)n1 ZINC000641752870 362678852 /nfs/dbraw/zinc/67/88/52/362678852.db2.gz RMBYLDATZUAYGL-JTQLQIEISA-N 1 0 209.293 0.755 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnn2ccccc12 ZINC000289751012 346332189 /nfs/dbraw/zinc/33/21/89/346332189.db2.gz HKFNSACETFMTNT-LLVKDONJSA-N 1 0 217.272 0.971 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1cnnn1CC ZINC000641760833 362692889 /nfs/dbraw/zinc/69/28/89/362692889.db2.gz XEJQCXFONCHYOY-SNVBAGLBSA-N 1 0 224.308 0.715 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H]1C[C@@H]([NH+](C)C)C1(C)C ZINC000636091482 346317378 /nfs/dbraw/zinc/31/73/78/346317378.db2.gz LLYOVHUQMSUSBC-LPEHRKFASA-N 1 0 226.320 0.378 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)C1(C[NH+](C)C)CC1 ZINC000636109758 346322266 /nfs/dbraw/zinc/32/22/66/346322266.db2.gz AECSCWJHZWXECN-NSHDSACASA-N 1 0 238.331 0.219 20 30 BCEDRO C=CCCC[N@@H+](C)CC(=O)N1CCN(C)CC1 ZINC000093175003 166233333 /nfs/dbraw/zinc/23/33/33/166233333.db2.gz GCHJFWCDVNVDLL-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000641769064 362708449 /nfs/dbraw/zinc/70/84/49/362708449.db2.gz OWHJRMIZRPYTBE-LBPRGKRZSA-N 1 0 248.330 0.407 20 30 BCEDRO C[C@H](C#N)CNC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000601142304 346358703 /nfs/dbraw/zinc/35/87/03/346358703.db2.gz XQWYEYOBJLSIND-SNVBAGLBSA-N 1 0 249.318 0.334 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cnc(C)o1 ZINC000641767737 362702279 /nfs/dbraw/zinc/70/22/79/362702279.db2.gz PYJAYTLQIOGWSP-SNVBAGLBSA-N 1 0 208.261 0.847 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CC[N@@H+]2CCC[C@@H]2C1 ZINC000641767636 362702485 /nfs/dbraw/zinc/70/24/85/362702485.db2.gz NDRZXJACBVHSAI-MGPQQGTHSA-N 1 0 236.359 0.977 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1c(C)nnn1CC ZINC000641767880 362702545 /nfs/dbraw/zinc/70/25/45/362702545.db2.gz RVZCJCCQDVXQRJ-LLVKDONJSA-N 1 0 236.319 0.470 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1c(C)cnn1C ZINC000641767665 362702691 /nfs/dbraw/zinc/70/26/91/362702691.db2.gz NXXNLEVTLZUTNE-NSHDSACASA-N 1 0 221.304 0.592 20 30 BCEDRO C=CC[C@H](CC)NC(=O)C(=O)NC[C@H](C)[NH2+]C ZINC000419136440 192101589 /nfs/dbraw/zinc/10/15/89/192101589.db2.gz NMLDHWLEQBKODI-UWVGGRQHSA-N 1 0 241.335 0.181 20 30 BCEDRO C=CC[C@H](CC)NC(=O)C(=O)NCC(C)(C)[NH3+] ZINC000419138688 192101603 /nfs/dbraw/zinc/10/16/03/192101603.db2.gz RBIVWZIGGFTTFC-VIFPVBQESA-N 1 0 241.335 0.311 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)C(=O)NC[C@@H](C)[NH2+]C ZINC000419136438 192101906 /nfs/dbraw/zinc/10/19/06/192101906.db2.gz NMLDHWLEQBKODI-NXEZZACHSA-N 1 0 241.335 0.181 20 30 BCEDRO N#Cc1cnc(NCC[C@H]2CCC[NH2+]2)cn1 ZINC000159285274 349963672 /nfs/dbraw/zinc/96/36/72/349963672.db2.gz OIBVGECSUHGJIV-SECBINFHSA-N 1 0 217.276 0.902 20 30 BCEDRO C[NH+]1CCC(Nc2cncc(C#N)n2)CC1 ZINC000401241220 346508260 /nfs/dbraw/zinc/50/82/60/346508260.db2.gz VPKROTACZXDGQB-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO CC#CCCNC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000580092504 346522144 /nfs/dbraw/zinc/52/21/44/346522144.db2.gz IEXZZCDVUQZNFF-UHFFFAOYSA-N 1 0 248.330 0.588 20 30 BCEDRO C[C@H](C#N)CNC(=O)N(C)CCC[NH+](C)C ZINC000186771506 346535081 /nfs/dbraw/zinc/53/50/81/346535081.db2.gz GIWILSCHRZOZRP-SNVBAGLBSA-N 1 0 226.324 0.739 20 30 BCEDRO N#Cc1cncc(N2CC[NH+](CC3CC3)CC2)n1 ZINC000401308061 346574278 /nfs/dbraw/zinc/57/42/78/346574278.db2.gz BOSZOQFOANBHRH-UHFFFAOYSA-N 1 0 243.314 0.880 20 30 BCEDRO C[C@@H]1[C@H]([NH+](C)C)CCN1c1cncc(C#N)n1 ZINC000401318488 346577859 /nfs/dbraw/zinc/57/78/59/346577859.db2.gz FGPPLEOIHBXEOX-MWLCHTKSSA-N 1 0 231.303 0.877 20 30 BCEDRO CC[C@@H]1[C@@H](C(=O)NC2(C#N)CC2)CC[N@@H+]1C ZINC000601180803 346610874 /nfs/dbraw/zinc/61/08/74/346610874.db2.gz VTKKWEALCQIVCA-VHSXEESVSA-N 1 0 221.304 0.889 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCO[C@H]1C1CC1 ZINC000377273605 346615591 /nfs/dbraw/zinc/61/55/91/346615591.db2.gz PLBQHVRBGZDTRF-JQWIXIFHSA-N 1 0 224.304 0.446 20 30 BCEDRO C[C@@H]1CCCC[N@H+](CC(=O)NCC#N)C1 ZINC000187978395 346664290 /nfs/dbraw/zinc/66/42/90/346664290.db2.gz RIOPHWDLGQVDHU-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO CC[N@@H+]1CCN(c2ccc(C#N)nn2)[C@@H](C)C1 ZINC000588069016 346632288 /nfs/dbraw/zinc/63/22/88/346632288.db2.gz ZBNNXYXXQRURSL-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO N#Cc1cnc(N[C@@H]2CCc3cncn3C2)cn1 ZINC000588067843 346632309 /nfs/dbraw/zinc/63/23/09/346632309.db2.gz URXYAFHOGFMZES-SECBINFHSA-N 1 0 240.270 0.972 20 30 BCEDRO N#Cc1cccc(C(=O)NCc2c[nH]cn2)n1 ZINC000589427901 346701868 /nfs/dbraw/zinc/70/18/68/346701868.db2.gz KIMVOWNMBDRLNK-UHFFFAOYSA-N 1 0 227.227 0.606 20 30 BCEDRO CCc1nc(C#N)cc(N2CC(C[NH+](C)C)C2)n1 ZINC000308170460 346714571 /nfs/dbraw/zinc/71/45/71/346714571.db2.gz QYZHTWKFQYTRBF-UHFFFAOYSA-N 1 0 245.330 0.908 20 30 BCEDRO N#Cc1cncc(NCCC[NH2+]C2CC2)n1 ZINC000401516799 346765377 /nfs/dbraw/zinc/76/53/77/346765377.db2.gz OUNVRQGLLWNHME-UHFFFAOYSA-N 1 0 217.276 0.902 20 30 BCEDRO COCC[N@H+](C[C@@H](C)CCC#N)[C@H](C)C(N)=O ZINC000589820469 346738783 /nfs/dbraw/zinc/73/87/83/346738783.db2.gz QRXBAMVTHWTJPG-WDEREUQCSA-N 1 0 241.335 0.748 20 30 BCEDRO CC1(C)CN(C(=O)c2cccc(C#N)n2)CC[NH2+]1 ZINC000589840633 346743921 /nfs/dbraw/zinc/74/39/21/346743921.db2.gz QNNBIXBMMSUBGT-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO CC[C@H]([NH2+]CC(=O)NCC#N)[C@H]1CCCO1 ZINC000182293686 346788142 /nfs/dbraw/zinc/78/81/42/346788142.db2.gz GRTSAQSTWJCOOF-VHSXEESVSA-N 1 0 225.292 0.173 20 30 BCEDRO C[NH+](C)CCCS(=O)(=O)N(CC#N)C1CC1 ZINC000601321410 347202451 /nfs/dbraw/zinc/20/24/51/347202451.db2.gz MAYXCUBSTKZEFO-UHFFFAOYSA-N 1 0 245.348 0.256 20 30 BCEDRO CN(CC(=O)NCC#N)Cc1cccc(F)c1 ZINC000108850501 347207691 /nfs/dbraw/zinc/20/76/91/347207691.db2.gz OXEABQBURCZDQQ-UHFFFAOYSA-N 1 0 235.262 0.897 20 30 BCEDRO C=C(C)CCNC(=O)N1CC[NH2+][C@@H](C)C1 ZINC000335650049 347268634 /nfs/dbraw/zinc/26/86/34/347268634.db2.gz QKSRWHNRQTVYTL-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO CN(C)C(=[NH2+])NCc1cccc(N(C)C)n1 ZINC000162900009 136731522 /nfs/dbraw/zinc/73/15/22/136731522.db2.gz OBIZZQASAGVZCA-UHFFFAOYSA-N 1 0 221.308 0.524 20 30 BCEDRO CC[C@@H](CC#N)NS(=O)(=O)CCC[NH+](C)C ZINC000601392894 347303816 /nfs/dbraw/zinc/30/38/16/347303816.db2.gz VUQYHCBYCCPNDY-JTQLQIEISA-N 1 0 247.364 0.550 20 30 BCEDRO C[C@@H](C(=O)N(C)CC(C)(C)C#N)[NH+](C)C ZINC000590494309 347413090 /nfs/dbraw/zinc/41/30/90/347413090.db2.gz ZYPHIAKQIHSQEO-VIFPVBQESA-N 1 0 211.309 0.945 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCCNC2=O)C1 ZINC000331688366 136749166 /nfs/dbraw/zinc/74/91/66/136749166.db2.gz WLYKFZVRSPJWCE-MXWKQRLJSA-N 1 0 221.304 0.937 20 30 BCEDRO CN(C)c1cc[nH+]cc1C(=O)N1CC(C#N)C1 ZINC000590488591 347382265 /nfs/dbraw/zinc/38/22/65/347382265.db2.gz RWNHYWXPCOLEIT-UHFFFAOYSA-N 1 0 230.271 0.743 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CCC[C@@](CO)(OC)C1 ZINC000401635538 347435441 /nfs/dbraw/zinc/43/54/41/347435441.db2.gz CRVSSUARZWOZMT-CMPLNLGQSA-N 1 0 243.303 0.187 20 30 BCEDRO C=CCC[NH+]1CCC(O)(C(=O)OCC)CC1 ZINC000267362425 166260835 /nfs/dbraw/zinc/26/08/35/166260835.db2.gz CRIOJASRZUOHRZ-UHFFFAOYSA-N 1 0 227.304 0.953 20 30 BCEDRO CC#CCC[NH+]1CCC(S(=O)(=O)NC)CC1 ZINC000364593466 347462964 /nfs/dbraw/zinc/46/29/64/347462964.db2.gz ACLRKZUPSSJVEA-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO CC(C)[N@H+](C)CCNC(=O)C(C)(C)C#N ZINC000054134150 347469040 /nfs/dbraw/zinc/46/90/40/347469040.db2.gz YOYBQIWIMDZPIU-UHFFFAOYSA-N 1 0 211.309 0.993 20 30 BCEDRO C[C@H]1[C@H]([NH+](C)C)CCN1C(=O)CSCC#N ZINC000590566168 347469516 /nfs/dbraw/zinc/46/95/16/347469516.db2.gz FWAANPPWLSYSKK-VHSXEESVSA-N 1 0 241.360 0.794 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+]C[C@H]2CC[C@@H](CO)O2)C1 ZINC000382160151 347477798 /nfs/dbraw/zinc/47/77/98/347477798.db2.gz SMKCJTGPEABXBC-KXNHARMFSA-N 1 0 224.304 0.808 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H]1CC[N@@H+](C(C)(C)C)C1 ZINC000617002829 347574257 /nfs/dbraw/zinc/57/42/57/347574257.db2.gz OQIRWNPYGVBTKS-GHMZBOCLSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CC[N@H+]1C(C)(C)C ZINC000617004855 347575855 /nfs/dbraw/zinc/57/58/55/347575855.db2.gz ZGKDVIROBQBBFM-ZWNOBZJWSA-N 1 0 240.347 0.912 20 30 BCEDRO COCC#CC[NH2+]C1(CC(=O)OC)CCC1 ZINC000590955480 347593878 /nfs/dbraw/zinc/59/38/78/347593878.db2.gz SGSNJGGQLROJFR-UHFFFAOYSA-N 1 0 225.288 0.712 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@@H]1CC1(C)C ZINC000591240801 347632787 /nfs/dbraw/zinc/63/27/87/347632787.db2.gz CBDKMHUPHYPYQU-WDEREUQCSA-N 1 0 225.336 0.581 20 30 BCEDRO C=CCSCCNC(=O)NC[C@H](C)[NH3+] ZINC000591348086 347642371 /nfs/dbraw/zinc/64/23/71/347642371.db2.gz FNTVZTQUDNJOCU-QMMMGPOBSA-N 1 0 217.338 0.552 20 30 BCEDRO N#CC1(CNC(=O)NC[C@H]2CCCC[NH2+]2)CC1 ZINC000591357589 347644634 /nfs/dbraw/zinc/64/46/34/347644634.db2.gz WEUHQMCTSZBHEU-SNVBAGLBSA-N 1 0 236.319 0.731 20 30 BCEDRO C[NH2+]CCCNC(=O)N1CCC[C@](C)(C#N)C1 ZINC000591358479 347645127 /nfs/dbraw/zinc/64/51/27/347645127.db2.gz IFGOBYBNDVUFGP-GFCCVEGCSA-N 1 0 238.335 0.931 20 30 BCEDRO N#C[C@@]1(F)CCN(C(=O)NCC[NH2+]C2CC2)C1 ZINC000591359134 347645358 /nfs/dbraw/zinc/64/53/58/347645358.db2.gz QAHAYAIVTHMNLE-NSHDSACASA-N 1 0 240.282 0.386 20 30 BCEDRO C[C@@H]([NH3+])CNC(=O)NCc1cccc(C#N)c1 ZINC000591340720 347646381 /nfs/dbraw/zinc/64/63/81/347646381.db2.gz LTENVZSMGASHPK-SECBINFHSA-N 1 0 232.287 0.705 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@H](C2CCC2)C1 ZINC000591062036 347612413 /nfs/dbraw/zinc/61/24/13/347612413.db2.gz SCRYRNIFPWEYNF-NSHDSACASA-N 1 0 221.304 0.748 20 30 BCEDRO CS[C@@H](C)C[NH2+]C[C@H](O)CN(C)CCC#N ZINC000591757180 347691166 /nfs/dbraw/zinc/69/11/66/347691166.db2.gz PEGUVTBEYICMHS-QWRGUYRKSA-N 1 0 245.392 0.534 20 30 BCEDRO C[C@H]([NH2+]C[C@@H](O)CN(C)CCC#N)C1CCC1 ZINC000591757245 347691169 /nfs/dbraw/zinc/69/11/69/347691169.db2.gz DHQBPVUDUITFGK-WCQYABFASA-N 1 0 239.363 0.971 20 30 BCEDRO CC[C@H](O)C[NH2+]C1CCN(CC#N)CC1 ZINC000591736037 347694761 /nfs/dbraw/zinc/69/47/61/347694761.db2.gz GITFCTFFASLQPH-NSHDSACASA-N 1 0 211.309 0.335 20 30 BCEDRO C[C@@H]([NH3+])C[C@@H](C)NC(=O)NCC(C)(C)C#N ZINC000592214342 347762087 /nfs/dbraw/zinc/76/20/87/347762087.db2.gz JHRSDHZXDITAPK-RKDXNWHRSA-N 1 0 226.324 0.961 20 30 BCEDRO CC(C)CNC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000267706486 535065157 /nfs/dbraw/zinc/06/51/57/535065157.db2.gz SFZQTTXZQODDNN-UHFFFAOYSA-N 1 0 238.291 0.439 20 30 BCEDRO CC[C@H](C)NC(=O)CN1CC[C@@](O)(CC#N)C1 ZINC000592147421 347739770 /nfs/dbraw/zinc/73/97/70/347739770.db2.gz LOZRLFZBBFZAGO-JQWIXIFHSA-N 1 0 239.319 0.252 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CCc2cn[nH]c2)C1 ZINC000592150142 347740480 /nfs/dbraw/zinc/74/04/80/347740480.db2.gz BGOJTAVFQJWRHJ-LLVKDONJSA-N 1 0 220.276 0.303 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](C[C@@H]2CCCOC2)C1 ZINC000592149923 347740951 /nfs/dbraw/zinc/74/09/51/347740951.db2.gz ZXMFYKCNXIPKDW-RYUDHWBXSA-N 1 0 224.304 0.763 20 30 BCEDRO CC(C)NC(=O)CC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592147518 347740962 /nfs/dbraw/zinc/74/09/62/347740962.db2.gz PKBUCYYDUKXLLQ-LBPRGKRZSA-N 1 0 239.319 0.252 20 30 BCEDRO N#CC[C@@]1(O)CC[N@@H+]([C@H]2CCCOC2)C1 ZINC000592151053 347742646 /nfs/dbraw/zinc/74/26/46/347742646.db2.gz JSEPMIXTSSAWDF-WDEREUQCSA-N 1 0 210.277 0.516 20 30 BCEDRO CCOCCC[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152207 347742939 /nfs/dbraw/zinc/74/29/39/347742939.db2.gz VRILEINPTFDWJO-NSHDSACASA-N 1 0 212.293 0.763 20 30 BCEDRO CCn1cc(CC[N@@H+]2CC[C@](O)(CC#N)C2)cn1 ZINC000592152891 347743449 /nfs/dbraw/zinc/74/34/49/347743449.db2.gz GJXRZTAHTFPTIE-CYBMUJFWSA-N 1 0 248.330 0.796 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CC[C@@H]2CCOC2)C1 ZINC000592152846 347743658 /nfs/dbraw/zinc/74/36/58/347743658.db2.gz FORRRWFHUWMLED-VXGBXAGGSA-N 1 0 224.304 0.763 20 30 BCEDRO CCOCC[C@H](O)C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592152792 347743741 /nfs/dbraw/zinc/74/37/41/347743741.db2.gz DEGIXQPUZCZVIA-RYUDHWBXSA-N 1 0 242.319 0.124 20 30 BCEDRO CO[C@H](C[N@@H+]1CC[C@](O)(CC#N)C1)C1CC1 ZINC000592154918 347745464 /nfs/dbraw/zinc/74/54/64/347745464.db2.gz WFSGRQHWJJSRJZ-VXGBXAGGSA-N 1 0 224.304 0.762 20 30 BCEDRO CCOC(=O)c1cnn(C[C@H]2CC[NH2+]C2)c1C#N ZINC000592163683 347746080 /nfs/dbraw/zinc/74/60/80/347746080.db2.gz FYETVFMYEAUWIC-VIFPVBQESA-N 1 0 248.286 0.541 20 30 BCEDRO Cc1cc(C#N)c(=O)n(C[C@H]2CC[NH2+]C2)c1 ZINC000592167890 347746632 /nfs/dbraw/zinc/74/66/32/347746632.db2.gz PSLYLCLRTIWTAZ-JTQLQIEISA-N 1 0 217.272 0.638 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000592200921 347752894 /nfs/dbraw/zinc/75/28/94/347752894.db2.gz WUYOCERLPSMCKC-SRVKXCTJSA-N 1 0 239.315 0.644 20 30 BCEDRO Cn1cccc1C[N@@H+]1CC[C@@](O)(CC#N)C1 ZINC000592523623 347794870 /nfs/dbraw/zinc/79/48/70/347794870.db2.gz OWIZYLIIFIPYHT-LBPRGKRZSA-N 1 0 219.288 0.876 20 30 BCEDRO Cc1n[nH]c(C)c1C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592524081 347794900 /nfs/dbraw/zinc/79/49/00/347794900.db2.gz VBVZNJGBGIAJCO-GFCCVEGCSA-N 1 0 234.303 0.877 20 30 BCEDRO CNC(=O)N1CCN([C@H](C)CCC#N)CC1 ZINC000577283329 365917128 /nfs/dbraw/zinc/91/71/28/365917128.db2.gz SXCMCVXWDFKBEG-SNVBAGLBSA-N 1 0 224.308 0.636 20 30 BCEDRO C[C@@H]1[C@H](C(=O)N(C)CCC#N)CC[N@@H+]1C ZINC000592754392 347810873 /nfs/dbraw/zinc/81/08/73/347810873.db2.gz HQWBENPOHIRPOP-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592755552 347814762 /nfs/dbraw/zinc/81/47/62/347814762.db2.gz RTMWMAOHJHBTJX-HBNTYKKESA-N 1 0 223.320 0.945 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000592772390 347815774 /nfs/dbraw/zinc/81/57/74/347815774.db2.gz GXRJSEQJVZOBDI-FOGDFJRCSA-N 1 0 239.319 0.371 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)N(C)[C@H]1CC[NH2+]C1 ZINC000179123020 166272355 /nfs/dbraw/zinc/27/23/55/166272355.db2.gz DNYHPJRPLFFREI-QWRGUYRKSA-N 1 0 226.320 0.788 20 30 BCEDRO N#Cc1cnccc1CN1CCC[C@H]([NH3+])C1 ZINC000592469530 347789406 /nfs/dbraw/zinc/78/94/06/347789406.db2.gz CBBHFWJZBUGVNH-LBPRGKRZSA-N 1 0 216.288 0.876 20 30 BCEDRO N#Cc1cnccc1CN1CC[C@H](C[NH3+])C1 ZINC000592471478 347790021 /nfs/dbraw/zinc/79/00/21/347790021.db2.gz KUZFZJAVWYITOI-SNVBAGLBSA-N 1 0 216.288 0.734 20 30 BCEDRO C[C@@H]1CN(Cc2ccncc2C#N)CC[NH2+]1 ZINC000592473456 347790622 /nfs/dbraw/zinc/79/06/22/347790622.db2.gz OOMASQWRGKHNBM-SNVBAGLBSA-N 1 0 216.288 0.747 20 30 BCEDRO C[C@@H](CF)[NH2+]C[C@H]1CNc2c(C#N)cnn2C1 ZINC000592513396 347792743 /nfs/dbraw/zinc/79/27/43/347792743.db2.gz AFWNOEMUFJYECX-IUCAKERBSA-N 1 0 237.282 0.744 20 30 BCEDRO C[C@@H](O)C[NH+]1CCN([C@@H](C)CCC#N)CC1 ZINC000593011205 347841452 /nfs/dbraw/zinc/84/14/52/347841452.db2.gz NDJZNKBQEICBOK-NWDGAFQWSA-N 1 0 225.336 0.677 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CC[C@@H](CC(N)=O)C1 ZINC000593029963 347842098 /nfs/dbraw/zinc/84/20/98/347842098.db2.gz XRYOEDPAPRWXCW-ZJUUUORDSA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NC[C@@H]1CC[NH2+]C1 ZINC000273016117 166273792 /nfs/dbraw/zinc/27/37/92/166273792.db2.gz KDJZAMRDPJYEBX-WDEREUQCSA-N 1 0 226.320 0.693 20 30 BCEDRO CC[C@H]1CN(CC(=O)NCC#N)[C@@H](CC)CO1 ZINC000593058030 347848155 /nfs/dbraw/zinc/84/81/55/347848155.db2.gz ICQQLIWJMHGVGD-QWRGUYRKSA-N 1 0 239.319 0.516 20 30 BCEDRO N#CCSCCC[N@H+]1C[C@@H]2C[C@H]1C[S@]2=O ZINC000593096183 347854314 /nfs/dbraw/zinc/85/43/14/347854314.db2.gz CVRHECJHRULEJS-AMJWSMQMSA-N 1 0 244.385 0.838 20 30 BCEDRO C=CCCC(=O)N1CCC[NH2+]C[C@H]1C(=O)OC ZINC000592964953 347835613 /nfs/dbraw/zinc/83/56/13/347835613.db2.gz UOOJVXQAVFFFNU-JTQLQIEISA-N 1 0 240.303 0.316 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H](CO)CCF)C1 ZINC000593688038 347927490 /nfs/dbraw/zinc/92/74/90/347927490.db2.gz VVYZKHWGAOWKDF-UTLUCORTSA-N 1 0 200.257 0.989 20 30 BCEDRO N#Cc1cccc2c1CN(CCOCC[NH3+])C2 ZINC000593729728 347937840 /nfs/dbraw/zinc/93/78/40/347937840.db2.gz JQNSJNNMXRGWSF-UHFFFAOYSA-N 1 0 231.299 0.849 20 30 BCEDRO CN(CC[NH+]1CCCCC1)C(=O)CC#N ZINC000593882776 347956258 /nfs/dbraw/zinc/95/62/58/347956258.db2.gz LPBAYKWKWLKUGN-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO N#CCCC1CC[NH+]([C@H]2CC(=O)NC2=O)CC1 ZINC000593920027 347963096 /nfs/dbraw/zinc/96/30/96/347963096.db2.gz HMOOCHXQENPYMN-JTQLQIEISA-N 1 0 235.287 0.417 20 30 BCEDRO N#CC1(C(=O)N2CCO[C@@H](C[NH3+])C2)CCCC1 ZINC000593905099 347968000 /nfs/dbraw/zinc/96/80/00/347968000.db2.gz LSFNIKBPHYLPDN-JTQLQIEISA-N 1 0 237.303 0.256 20 30 BCEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)NC[C@H](C)[NH3+] ZINC000593905168 347968101 /nfs/dbraw/zinc/96/81/01/347968101.db2.gz PSRZZZLHFUMMJM-VHSXEESVSA-N 1 0 247.298 0.789 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@]23C[NH2+]C[C@H]2COC3)C1 ZINC000593907285 347969319 /nfs/dbraw/zinc/96/93/19/347969319.db2.gz OMRJMJNEHVHEEL-KQXIARHKSA-N 1 0 249.314 0.031 20 30 BCEDRO C[C@H](C#N)CNC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000577409309 365947733 /nfs/dbraw/zinc/94/77/33/365947733.db2.gz UYGIBSHRTMGTAC-VHSXEESVSA-N 1 0 209.293 0.604 20 30 BCEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)cn2)C[C@H]1O ZINC000593970614 347975066 /nfs/dbraw/zinc/97/50/66/347975066.db2.gz YUDFWACNLXQQSP-BXKDBHETSA-N 1 0 217.272 0.766 20 30 BCEDRO CC(C)C[N@H+](C)CCCNC(=O)CC#N ZINC000593754941 347943498 /nfs/dbraw/zinc/94/34/98/347943498.db2.gz UMMTXLYQBHWQJA-UHFFFAOYSA-N 1 0 211.309 0.994 20 30 BCEDRO CC[C@@H](C#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000594259830 348027776 /nfs/dbraw/zinc/02/77/76/348027776.db2.gz KSOQUNJOSRZROJ-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC[C@@H]([NH2+]CC(=O)NCC#N)[C@@H]1CCCCO1 ZINC000594044264 347987785 /nfs/dbraw/zinc/98/77/85/347987785.db2.gz QHWKXEVZTSFISG-MNOVXSKESA-N 1 0 239.319 0.563 20 30 BCEDRO N#C[C@@H]1CC[C@@H](N2CC[N@@H+]3C[C@H](O)C[C@H]3C2)C1 ZINC000594025189 347991159 /nfs/dbraw/zinc/99/11/59/347991159.db2.gz DGHSQPVUCSJAAY-FVCCEPFGSA-N 1 0 235.331 0.429 20 30 BCEDRO N#CCC[C@H](C#N)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000594041628 347995349 /nfs/dbraw/zinc/99/53/49/347995349.db2.gz CKMONTNMOCHKLW-FRRDWIJNSA-N 1 0 248.330 0.181 20 30 BCEDRO COc1cc(C[NH2+][C@@H]2COC[C@@H]2O)ccc1C#N ZINC000323377869 348019205 /nfs/dbraw/zinc/01/92/05/348019205.db2.gz GJDCEZSJDPKSKS-NEPJUHHUSA-N 1 0 248.282 0.416 20 30 BCEDRO C[C@H](C#N)CNC(=O)N[C@H](C[NH3+])C(F)(F)F ZINC000594525397 348069724 /nfs/dbraw/zinc/06/97/24/348069724.db2.gz QVXPOSVYVNSTNU-PHDIDXHHSA-N 1 0 238.213 0.335 20 30 BCEDRO C=C[C@@H](NC[C@H]1C[C@@H]([NH+](C)C)C1)C(=O)OC ZINC000594556898 348071276 /nfs/dbraw/zinc/07/12/76/348071276.db2.gz VKDWWNVECMVZDG-OUAUKWLOSA-N 1 0 226.320 0.644 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NCCC[NH2+]C ZINC000121715760 349980655 /nfs/dbraw/zinc/98/06/55/349980655.db2.gz IFFNEYBHWWKFLI-SNVBAGLBSA-N 1 0 214.309 0.693 20 30 BCEDRO CC[C@@H](COC)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594427120 348043814 /nfs/dbraw/zinc/04/38/14/348043814.db2.gz GEZLNXHIYFWPKK-QWRGUYRKSA-N 1 0 241.335 0.939 20 30 BCEDRO COCCCNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594428131 348044694 /nfs/dbraw/zinc/04/46/94/348044694.db2.gz ZPKVAAPRBFWRLA-JTQLQIEISA-N 1 0 227.308 0.550 20 30 BCEDRO C[C@@H]1C[C@H]1NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594429159 348044954 /nfs/dbraw/zinc/04/49/54/348044954.db2.gz RCRHDWCMSMJSAP-KXUCPTDWSA-N 1 0 209.293 0.922 20 30 BCEDRO COCC1(NC(=O)[C@@H]([NH3+])CCCCC#N)CC1 ZINC000594432617 348045484 /nfs/dbraw/zinc/04/54/84/348045484.db2.gz FJQOVVASXZZUTO-JTQLQIEISA-N 1 0 239.319 0.693 20 30 BCEDRO N#CCCCC[C@H]([NH3+])C(=O)NCCn1cccn1 ZINC000594436046 348046533 /nfs/dbraw/zinc/04/65/33/348046533.db2.gz LDUOCDFGWAQOOG-NSHDSACASA-N 1 0 249.318 0.411 20 30 BCEDRO CO[C@@H](C)CNC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594436981 348050298 /nfs/dbraw/zinc/05/02/98/348050298.db2.gz LDULHQKVPXHIAT-UWVGGRQHSA-N 1 0 227.308 0.549 20 30 BCEDRO CO[C@H](C)CNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594436980 348050614 /nfs/dbraw/zinc/05/06/14/348050614.db2.gz LDULHQKVPXHIAT-NXEZZACHSA-N 1 0 227.308 0.549 20 30 BCEDRO N#CCCCCC(=O)N[C@H](C[NH3+])C1CC1 ZINC000594424658 348051164 /nfs/dbraw/zinc/05/11/64/348051164.db2.gz HLSYCPPOTLAYLJ-SNVBAGLBSA-N 1 0 209.293 0.924 20 30 BCEDRO COCCNC(=O)[C@H]([NH3+])CCCCC#N ZINC000594425554 348051885 /nfs/dbraw/zinc/05/18/85/348051885.db2.gz KXNDKUNPUVVIJJ-SECBINFHSA-N 1 0 213.281 0.160 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)CCCC[NH+](C)C ZINC000668950440 490127018 /nfs/dbraw/zinc/12/70/18/490127018.db2.gz ROJJKXBQGIOVBF-LBPRGKRZSA-N 1 0 228.336 0.724 20 30 BCEDRO N#CCCCC[C@@H]([NH3+])C(=O)NCC(F)(F)CN ZINC000594437753 348053501 /nfs/dbraw/zinc/05/35/01/348053501.db2.gz FFBCEHMAWRRDEP-MRVPVSSYSA-N 1 0 248.277 0.108 20 30 BCEDRO COCC[C@@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594437527 348054003 /nfs/dbraw/zinc/05/40/03/348054003.db2.gz LWVJAWWCDZYWPO-MNOVXSKESA-N 1 0 241.335 0.939 20 30 BCEDRO N#Cc1ccc2c(c1)CN(C(=O)C1([NH3+])CC1)C2 ZINC000594451848 348058103 /nfs/dbraw/zinc/05/81/03/348058103.db2.gz HROSLFUVPJIKBA-UHFFFAOYSA-N 1 0 227.267 0.892 20 30 BCEDRO CO[C@@H](C)[C@H](C)NC(=O)[C@@H]([NH3+])CCCCC#N ZINC000594456127 348059240 /nfs/dbraw/zinc/05/92/40/348059240.db2.gz JGVYNVKXGLDQEH-DCAQKATOSA-N 1 0 241.335 0.937 20 30 BCEDRO CO[C@](C)(CO)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000594513852 348061660 /nfs/dbraw/zinc/06/16/60/348061660.db2.gz SZFVIJGEXCKFQS-VWYCJHECSA-N 1 0 212.293 0.666 20 30 BCEDRO CO[C@](C)(CO)C[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000594513850 348062027 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/nfs/dbraw/zinc/09/06/32/348090632.db2.gz TYTQNBFTJNOHDH-SNVBAGLBSA-N 1 0 243.270 0.001 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@@H]1C(=O)OC ZINC000594945076 348144986 /nfs/dbraw/zinc/14/49/86/348144986.db2.gz LYMQRAWJBFKQBX-ZNSHCXBVSA-N 1 0 227.304 0.711 20 30 BCEDRO C=CCC[NH2+]Cc1cn(CC(=O)OC)nn1 ZINC000594960481 348150969 /nfs/dbraw/zinc/15/09/69/348150969.db2.gz REPKXEOZQPPYJZ-UHFFFAOYSA-N 1 0 224.264 0.117 20 30 BCEDRO CC[N@H+](C[C@H](C)C#N)C[C@@H]1CNC(=O)C1 ZINC000595297689 348216939 /nfs/dbraw/zinc/21/69/39/348216939.db2.gz JGENPJQCBBEZQV-ZJUUUORDSA-N 1 0 209.293 0.604 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)Cc1ccccc1 ZINC000563811307 323178649 /nfs/dbraw/zinc/17/86/49/323178649.db2.gz XPAYKNRJBXCQBH-CYBMUJFWSA-N 1 0 219.284 0.175 20 30 BCEDRO N#CCC1CC[NH+]([C@@H]2CC(=O)NC2=O)CC1 ZINC000563821470 323179270 /nfs/dbraw/zinc/17/92/70/323179270.db2.gz QVDMAJBBJMIYAE-SECBINFHSA-N 1 0 221.260 0.027 20 30 BCEDRO N#CC1(CNC(=O)[C@H]2CC[NH2+]2)CCCCC1 ZINC000595258454 348205658 /nfs/dbraw/zinc/20/56/58/348205658.db2.gz MMWOZQHKZDCWIZ-SNVBAGLBSA-N 1 0 221.304 0.939 20 30 BCEDRO N#CCCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000595263486 348206863 /nfs/dbraw/zinc/20/68/63/348206863.db2.gz CVJRSFMBQRURDR-UHFFFAOYSA-N 1 0 222.292 0.341 20 30 BCEDRO CC(C)[C@H]([NH3+])CCNC(=O)NCC1(C#N)CC1 ZINC000595263233 348207095 /nfs/dbraw/zinc/20/70/95/348207095.db2.gz QUFPPJSEQKXEBL-SNVBAGLBSA-N 1 0 238.335 0.963 20 30 BCEDRO N#CCCCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000595264768 348207621 /nfs/dbraw/zinc/20/76/21/348207621.db2.gz DIAKTZMICBMDSC-UHFFFAOYSA-N 1 0 236.319 0.813 20 30 BCEDRO C[NH2+]C[C@H](C)NC(=O)NCCCCC#N ZINC000595265385 348207630 /nfs/dbraw/zinc/20/76/30/348207630.db2.gz KHGLACOVEHZVSS-VIFPVBQESA-N 1 0 212.297 0.587 20 30 BCEDRO C[C@H](CC[NH3+])NC(=O)N1CC[C@](C)(C#N)C1 ZINC000595265300 348207666 /nfs/dbraw/zinc/20/76/66/348207666.db2.gz NYXAIZBJBUHKPR-MWLCHTKSSA-N 1 0 224.308 0.669 20 30 BCEDRO C[C@@H](C[NH3+])CNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595264937 348207707 /nfs/dbraw/zinc/20/77/07/348207707.db2.gz HKOZONJQLWECDJ-GXSJLCMTSA-N 1 0 224.308 0.526 20 30 BCEDRO C[C@H]([NH3+])CNC(=O)NCCc1ccc(C#N)cc1 ZINC000595265625 348207767 /nfs/dbraw/zinc/20/77/67/348207767.db2.gz RUQFPQAWVSDRMA-JTQLQIEISA-N 1 0 246.314 0.747 20 30 BCEDRO CO[C@]1(CO)CCC[N@H+](CCOCCC#N)C1 ZINC000401857744 348208298 /nfs/dbraw/zinc/20/82/98/348208298.db2.gz GVBDXNALMIAWKA-GFCCVEGCSA-N 1 0 242.319 0.390 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NCC2([NH3+])CCC2)C1 ZINC000595265901 348208419 /nfs/dbraw/zinc/20/84/19/348208419.db2.gz WNZIXLOTAQXNGT-NSHDSACASA-N 1 0 236.319 0.813 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)NC[C@@H]2CCC[NH2+]2)C1 ZINC000595267014 348209229 /nfs/dbraw/zinc/20/92/29/348209229.db2.gz DRYFRBIVXGDCFH-CMPLNLGQSA-N 1 0 236.319 0.684 20 30 BCEDRO CC[NH2+]CCCNC(=O)N1CC[C@](C)(C#N)C1 ZINC000595268440 348209839 /nfs/dbraw/zinc/20/98/39/348209839.db2.gz UDKQRYOYXNKLTF-GFCCVEGCSA-N 1 0 238.335 0.931 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)NC/C=C/C[NH3+])C1 ZINC000595273243 348210661 /nfs/dbraw/zinc/21/06/61/348210661.db2.gz JLQLEZIXGPTCII-VUDBWIFFSA-N 1 0 222.292 0.446 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000595273082 348210790 /nfs/dbraw/zinc/21/07/90/348210790.db2.gz IJRNUKVOLUZHJM-KXUCPTDWSA-N 1 0 224.308 0.586 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)N1CC[C@@](C)(C#N)C1 ZINC000595275067 348211320 /nfs/dbraw/zinc/21/13/20/348211320.db2.gz FSACDZGDNBXSMP-KOLCDFICSA-N 1 0 224.308 0.539 20 30 BCEDRO N#Cc1ccc(CC[N@H+]2C[C@H](O)C[C@H]2CO)cc1 ZINC000595403853 348239889 /nfs/dbraw/zinc/23/98/89/348239889.db2.gz MXJAELFXWBXTQJ-UONOGXRCSA-N 1 0 246.310 0.528 20 30 BCEDRO CC#CCN1CCNC(=O)[C@H]1CC(C)C ZINC000189806460 187391740 /nfs/dbraw/zinc/39/17/40/187391740.db2.gz IRLMKBIEEYUAGE-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO COC(=O)[C@@](C)(O)C[N@@H+]1CCC[C@H](CC#N)C1 ZINC000595623944 348292534 /nfs/dbraw/zinc/29/25/34/348292534.db2.gz ZHKPIFCNHDATST-PWSUYJOCSA-N 1 0 240.303 0.536 20 30 BCEDRO C[C@@H]1C[C@H]([N@@H+]2CC[C@](O)(CC#N)C2)CCO1 ZINC000595563676 348282334 /nfs/dbraw/zinc/28/23/34/348282334.db2.gz TZLVLSNQIRSQKU-IJLUTSLNSA-N 1 0 224.304 0.904 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+]([C@@H]2CCNC2=O)C1 ZINC000595613441 348287859 /nfs/dbraw/zinc/28/78/59/348287859.db2.gz DDWBYZKGYNBUSY-NXEZZACHSA-N 1 0 207.277 0.501 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+]([C@H]2CCNC2=O)C1 ZINC000595613451 348288440 /nfs/dbraw/zinc/28/84/40/348288440.db2.gz DDWBYZKGYNBUSY-ZJUUUORDSA-N 1 0 207.277 0.501 20 30 BCEDRO N#CC[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000595615870 348289205 /nfs/dbraw/zinc/28/92/05/348289205.db2.gz UJOFFGWGKDBWCB-OLZOCXBDSA-N 1 0 248.330 0.870 20 30 BCEDRO COC(=O)[C@](C)(O)C[N@@H+]1CCC[C@@H](CC#N)C1 ZINC000595623942 348292019 /nfs/dbraw/zinc/29/20/19/348292019.db2.gz ZHKPIFCNHDATST-CMPLNLGQSA-N 1 0 240.303 0.536 20 30 BCEDRO C=CC[C@H]1CCC[N@@H+]([C@H](C)C(=O)NC(N)=O)C1 ZINC000595658102 348298093 /nfs/dbraw/zinc/29/80/93/348298093.db2.gz FQKHNTLSVLMTCL-ZJUUUORDSA-N 1 0 239.319 0.858 20 30 BCEDRO C=C(CC)C[NH2+][C@@H]1CCO[C@@H]1C(=O)OC ZINC000595663420 348301371 /nfs/dbraw/zinc/30/13/71/348301371.db2.gz JJZOAFSHVRCHPD-ZJUUUORDSA-N 1 0 213.277 0.873 20 30 BCEDRO C=CCC[N@H+]1C[C@H](C)N(CCO)C[C@@H]1C ZINC000419328230 192122509 /nfs/dbraw/zinc/12/25/09/192122509.db2.gz OGQKTCFKSYCNAR-RYUDHWBXSA-N 1 0 212.337 0.949 20 30 BCEDRO N#CC1(C[N@@H+]2CC[C@@H]3NC(=O)CC[C@H]3C2)CC1 ZINC000595728165 348329552 /nfs/dbraw/zinc/32/95/52/348329552.db2.gz KLHIPQPJKYTJIF-QWRGUYRKSA-N 1 0 233.315 0.891 20 30 BCEDRO C=CC[N@H+](CC(=O)NCC#N)C(C)(C)C ZINC000595763342 348333393 /nfs/dbraw/zinc/33/33/93/348333393.db2.gz OPIPRZKGURHRMG-UHFFFAOYSA-N 1 0 209.293 0.913 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H](CC)C1CC1 ZINC000595765760 348334380 /nfs/dbraw/zinc/33/43/80/348334380.db2.gz NUDFRMYSYHAJPJ-SNVBAGLBSA-N 1 0 239.319 0.776 20 30 BCEDRO C=CCC1([NH2+]CC(=O)NC(=O)NC)CCCC1 ZINC000595779647 348339377 /nfs/dbraw/zinc/33/93/77/348339377.db2.gz CSUQJGBFTHSANW-UHFFFAOYSA-N 1 0 239.319 0.921 20 30 BCEDRO CN1CC[N@H+](CCCCC#N)CCC1=O ZINC000595786648 348346068 /nfs/dbraw/zinc/34/60/68/348346068.db2.gz VFLOGDMTTSGECA-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO CN(C)C(=O)CC[N@@H+]1CC[C@](C)(C#N)C1 ZINC000595838696 348372710 /nfs/dbraw/zinc/37/27/10/348372710.db2.gz DEMGBVTWNFFOHP-LLVKDONJSA-N 1 0 209.293 0.700 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCCC(=O)OCC ZINC000595863383 348383697 /nfs/dbraw/zinc/38/36/97/348383697.db2.gz FGXOZBAHFZYZPE-SNVBAGLBSA-N 1 0 215.293 0.856 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCC(=O)OCC ZINC000595864240 348384572 /nfs/dbraw/zinc/38/45/72/348384572.db2.gz WKSYLAVFMYLXMP-SECBINFHSA-N 1 0 201.266 0.466 20 30 BCEDRO N#CCCOCC[N@@H+]1CC[C@H]2COC[C@@H]2C1 ZINC000595826490 348364309 /nfs/dbraw/zinc/36/43/09/348364309.db2.gz CXRMEDZKQAIJJX-RYUDHWBXSA-N 1 0 224.304 0.885 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@H]2C[C@H]([NH3+])C2)C1 ZINC000595965084 348406043 /nfs/dbraw/zinc/40/60/43/348406043.db2.gz WNZNWTBMPVWRCR-AATLWQCWSA-N 1 0 207.277 0.532 20 30 BCEDRO C[NH+](C)C1CN(c2ccnc(C#N)n2)C1 ZINC000382168829 348412185 /nfs/dbraw/zinc/41/21/85/348412185.db2.gz KXGJWFYPUOFIQF-UHFFFAOYSA-N 1 0 203.249 0.098 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)C[NH2+]CC2CC2)C1 ZINC000595979509 348414279 /nfs/dbraw/zinc/41/42/79/348414279.db2.gz ATIUIBFDOVDXSG-LBPRGKRZSA-N 1 0 221.304 0.748 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@]2(C)CCC[NH2+]2)C1 ZINC000595979768 348415091 /nfs/dbraw/zinc/41/50/91/348415091.db2.gz CXXYRGYMLWCCNE-RYUDHWBXSA-N 1 0 221.304 0.891 20 30 BCEDRO CC1(C)C[NH2+][C@H]1C(=O)N1CC[C@](C)(C#N)C1 ZINC000595981068 348416081 /nfs/dbraw/zinc/41/60/81/348416081.db2.gz LZJFPKVDAXBDPL-JOYOIKCWSA-N 1 0 221.304 0.747 20 30 BCEDRO CC(C)[C@@H]([NH3+])C(=O)N1CC[C@@](C)(C#N)C1 ZINC000595982725 348417716 /nfs/dbraw/zinc/41/77/16/348417716.db2.gz WYDHWFFLYNOLHN-KOLCDFICSA-N 1 0 209.293 0.732 20 30 BCEDRO C[C@]1(C#N)CCN(C(=O)C[C@H]2CCC[NH2+]2)C1 ZINC000595982497 348417781 /nfs/dbraw/zinc/41/77/81/348417781.db2.gz WKDQOKLLJHRXEO-ZYHUDNBSSA-N 1 0 221.304 0.891 20 30 BCEDRO CC(C)OC[C@H]([NH3+])C(=O)N1CC[C@](C)(C#N)C1 ZINC000595983128 348418203 /nfs/dbraw/zinc/41/82/03/348418203.db2.gz YRGCMSVWCVZWNF-CMPLNLGQSA-N 1 0 239.319 0.501 20 30 BCEDRO C[C@]1(NC(=O)CCCCC#N)CC[NH2+]C1 ZINC000595987866 348419841 /nfs/dbraw/zinc/41/98/41/348419841.db2.gz YUCTWIDMFHZQNW-NSHDSACASA-N 1 0 209.293 0.939 20 30 BCEDRO N#Cc1cnccc1CN1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000595905386 348396286 /nfs/dbraw/zinc/39/62/86/348396286.db2.gz MZZTYZNBZDUWJZ-VXGBXAGGSA-N 1 0 234.278 0.824 20 30 BCEDRO C[C@H](C[NH3+])N(C)C(=O)CC1(C#N)CCOCC1 ZINC000595924227 348402263 /nfs/dbraw/zinc/40/22/63/348402263.db2.gz ITFOAUMXQZJUQE-SNVBAGLBSA-N 1 0 239.319 0.502 20 30 BCEDRO N#Cc1cncnc1N1CCC2(CC[NH2+]C2)CC1 ZINC000596012777 348429265 /nfs/dbraw/zinc/42/92/65/348429265.db2.gz AMMLUOMLMVBPGD-UHFFFAOYSA-N 1 0 243.314 0.928 20 30 BCEDRO N#Cc1ccc(N2CCC[NH2+]CC2)nc1N ZINC000596015286 348430405 /nfs/dbraw/zinc/43/04/05/348430405.db2.gz AFSGZYWGFZSYSS-UHFFFAOYSA-N 1 0 217.276 0.335 20 30 BCEDRO C[C@H]1CN(c2ccc(C#N)c(N)n2)CC[NH2+]1 ZINC000596015636 348430766 /nfs/dbraw/zinc/43/07/66/348430766.db2.gz FWQUBCZTKRLDJG-QMMMGPOBSA-N 1 0 217.276 0.334 20 30 BCEDRO N#Cc1cncnc1N1CC[C@H]2CC[NH2+][C@@H]2C1 ZINC000596016965 348431100 /nfs/dbraw/zinc/43/11/00/348431100.db2.gz WYRHXBXLCBABLM-MWLCHTKSSA-N 1 0 229.287 0.536 20 30 BCEDRO Cn1ncc(C#N)c1N1CC[C@H]([NH+]2CCCC2)C1 ZINC000596106668 348440826 /nfs/dbraw/zinc/44/08/26/348440826.db2.gz VJAWNHGLVSLXGR-LBPRGKRZSA-N 1 0 245.330 0.966 20 30 BCEDRO C[C@@H]1C[N@H+](CC(=O)NCC#N)[C@@H](C)[C@H]1C ZINC000419378035 192132554 /nfs/dbraw/zinc/13/25/54/192132554.db2.gz VLKVQXYQNDZSHG-UTLUCORTSA-N 1 0 209.293 0.602 20 30 BCEDRO Cn1ncc(C#N)c1N1CCC([NH+](C)C)CC1 ZINC000596079350 348439680 /nfs/dbraw/zinc/43/96/80/348439680.db2.gz OYKLUFKCGFSWKM-UHFFFAOYSA-N 1 0 233.319 0.822 20 30 BCEDRO N#Cc1cncnc1N1CC[C@@H](F)[C@H]([NH3+])C1 ZINC000596024797 348424729 /nfs/dbraw/zinc/42/47/29/348424729.db2.gz ZLHWQLHMCPPWLL-RKDXNWHRSA-N 1 0 221.239 0.224 20 30 BCEDRO Cc1ccc(C#N)c(N[C@@H](CO)C[NH+](C)C)n1 ZINC000596242299 348484732 /nfs/dbraw/zinc/48/47/32/348484732.db2.gz DAAMNDJJXZYTQN-LLVKDONJSA-N 1 0 234.303 0.596 20 30 BCEDRO C[N@@H+]1C[C@@H]2CCCN(c3cc(C#N)cnn3)[C@@H]2C1 ZINC000596281507 348487502 /nfs/dbraw/zinc/48/75/02/348487502.db2.gz LRHGTRUBMHKXKH-NWDGAFQWSA-N 1 0 243.314 0.879 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+][C@H]2CCNC2=O)C1 ZINC000596096724 348444898 /nfs/dbraw/zinc/44/48/98/348444898.db2.gz YKZUBCZJCFLGSW-AEJSXWLSSA-N 1 0 207.277 0.547 20 30 BCEDRO C[NH+](C)CCNC(=O)NCC1(C#N)CCC1 ZINC000419622585 192142164 /nfs/dbraw/zinc/14/21/64/192142164.db2.gz GSGWXYAAFCBMID-UHFFFAOYSA-N 1 0 224.308 0.541 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(c3cc(C#N)cnn3)[C@H]2C1 ZINC000596188681 348457326 /nfs/dbraw/zinc/45/73/26/348457326.db2.gz KYGVRWZBLXJHIR-RYUDHWBXSA-N 1 0 243.314 0.879 20 30 BCEDRO CC[N@@H+]1CCN(c2cc(C#N)cnn2)[C@@H](C)C1 ZINC000596231312 348471979 /nfs/dbraw/zinc/47/19/79/348471979.db2.gz PWMDNNNBGYJPOU-JTQLQIEISA-N 1 0 231.303 0.879 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1cnn(CC)c1 ZINC000268809632 187398728 /nfs/dbraw/zinc/39/87/28/187398728.db2.gz LSHQNVSAZMLJNX-NSHDSACASA-N 1 0 248.330 0.693 20 30 BCEDRO CCN(C(=O)NC[C@H](C)C#N)[C@H]1CC[N@H+](C)C1 ZINC000596550288 348586590 /nfs/dbraw/zinc/58/65/90/348586590.db2.gz LOPBTOZIDLAHCZ-MNOVXSKESA-N 1 0 238.335 0.882 20 30 BCEDRO CC(C)(C#N)CCC[N@@H+]1C[C@H](O)C[C@H]1C(N)=O ZINC000596622219 348595775 /nfs/dbraw/zinc/59/57/75/348595775.db2.gz WSQYTWDIXNQANA-ZJUUUORDSA-N 1 0 239.319 0.237 20 30 BCEDRO C[NH+](C)CCNC(=O)CC1(C#N)CCOCC1 ZINC000596624078 348596539 /nfs/dbraw/zinc/59/65/39/348596539.db2.gz MXMCEJVVCQTNLI-UHFFFAOYSA-N 1 0 239.319 0.375 20 30 BCEDRO C[C@H](CC#N)C(=O)N1CCC[N@H+](C)CC1 ZINC000596630240 348597534 /nfs/dbraw/zinc/59/75/34/348597534.db2.gz HMYOZEIJNAJOES-SNVBAGLBSA-N 1 0 209.293 0.700 20 30 BCEDRO C#CCC[NH+]1CCN(c2nccn2C)CC1 ZINC000270470668 187399166 /nfs/dbraw/zinc/39/91/66/187399166.db2.gz BXCWWETYFTZPLF-UHFFFAOYSA-N 1 0 218.304 0.565 20 30 BCEDRO CCC[N@@H+]1CC[C@H](NC(=O)NC[C@H](C)C#N)C1 ZINC000596552369 348576666 /nfs/dbraw/zinc/57/66/66/348576666.db2.gz WBRLOMOAPWNAEF-MNOVXSKESA-N 1 0 238.335 0.930 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@H]2CCC[C@@H]3C[C@@H]32)n1 ZINC000597126789 348664414 /nfs/dbraw/zinc/66/44/14/348664414.db2.gz JNDNMHWJNQFBJE-VWYCJHECSA-N 1 0 231.303 0.928 20 30 BCEDRO C[C@@H](CC#N)C(=O)NC[C@H]1CC[N@H+](C)C1 ZINC000596882499 348628899 /nfs/dbraw/zinc/62/88/99/348628899.db2.gz BWFFQBLZNLFLAA-VHSXEESVSA-N 1 0 209.293 0.604 20 30 BCEDRO C=CCC[C@H](O)C[N@H+](CC(N)=O)C(C)C ZINC000268531780 166304469 /nfs/dbraw/zinc/30/44/69/166304469.db2.gz FNNOFMSAAYOZDU-JTQLQIEISA-N 1 0 214.309 0.509 20 30 BCEDRO C[C@@H](CC#N)C(=O)NC[C@H]1CCC[N@H+](C)C1 ZINC000597179194 348680428 /nfs/dbraw/zinc/68/04/28/348680428.db2.gz HMGNLFJVWYARIQ-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@H](CC#N)C(=O)NC[C@H]1CCC[N@@H+]1C ZINC000597224613 348694664 /nfs/dbraw/zinc/69/46/64/348694664.db2.gz MMGGGNHFXDWAQC-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[NH+](C)C1(C(=O)NCC2(C#N)CC2)CC1 ZINC000597609728 348769493 /nfs/dbraw/zinc/76/94/93/348769493.db2.gz MMMCJWQQLSFLIS-UHFFFAOYSA-N 1 0 207.277 0.501 20 30 BCEDRO C[NH+](C)C[C@H](CO)NC(=O)CCCCCC#N ZINC000597652958 348776040 /nfs/dbraw/zinc/77/60/40/348776040.db2.gz GQMXRHXUASRNEP-LLVKDONJSA-N 1 0 241.335 0.499 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1[C@H]1COCCN1C(=O)CC#N ZINC000597693996 348777344 /nfs/dbraw/zinc/77/73/44/348777344.db2.gz HXQITAIHYOGUBK-GHMZBOCLSA-N 1 0 237.303 0.222 20 30 BCEDRO C[C@@H](CNC(=O)[C@@H](C)CC#N)C[NH+](C)C ZINC000597683764 348779500 /nfs/dbraw/zinc/77/95/00/348779500.db2.gz HHMHIASZUOOHLV-UWVGGRQHSA-N 1 0 211.309 0.850 20 30 BCEDRO C=CC[C@H](CO)[NH2+]Cc1cn(C)nc1C ZINC000184281512 348788972 /nfs/dbraw/zinc/78/89/72/348788972.db2.gz BUEVSVCWBKNLAM-LLVKDONJSA-N 1 0 209.293 0.755 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1C[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000597727082 348793506 /nfs/dbraw/zinc/79/35/06/348793506.db2.gz JTFNFHUROKYMMG-GARJFASQSA-N 1 0 221.304 0.699 20 30 BCEDRO C[C@H](CC#N)C(=O)NCC1=CC[N@H+](C)CC1 ZINC000597482285 348740498 /nfs/dbraw/zinc/74/04/98/348740498.db2.gz WYCXXHAECGWUET-SNVBAGLBSA-N 1 0 221.304 0.914 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H](c2cc(C(N)=O)[nH]n2)C1 ZINC000266162213 192373664 /nfs/dbraw/zinc/37/36/64/192373664.db2.gz ITZGHYBNPGTQTM-SNVBAGLBSA-N 1 0 246.314 0.711 20 30 BCEDRO CCN(C(=O)[C@H](C)C#N)[C@H]1CC[N@H+](C)C1 ZINC000597943977 348846980 /nfs/dbraw/zinc/84/69/80/348846980.db2.gz BGOHZDRJFUMOLA-ZJUUUORDSA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N2CC(CC#N)C2)C1 ZINC000598024379 348862829 /nfs/dbraw/zinc/86/28/29/348862829.db2.gz GDPGSMFEVXYTIP-JTQLQIEISA-N 1 0 221.304 0.700 20 30 BCEDRO CC[N@H+](CC(=O)N1CC(CC#N)C1)C1CC1 ZINC000598033240 348867606 /nfs/dbraw/zinc/86/76/06/348867606.db2.gz VGOCJBLWPAOIAJ-UHFFFAOYSA-N 1 0 221.304 0.843 20 30 BCEDRO CCN(C(=O)[C@H]1CCC[N@@H+]1C)[C@H](C)C#N ZINC000598359872 348945146 /nfs/dbraw/zinc/94/51/46/348945146.db2.gz NLDZAKBIVQDSHW-NXEZZACHSA-N 1 0 209.293 0.841 20 30 BCEDRO C[C@@H](C#N)N(C(=O)[C@H](C)[NH+](C)C)C1CC1 ZINC000598131877 348899404 /nfs/dbraw/zinc/89/94/04/348899404.db2.gz NTVLZFDRGRNPAW-IUCAKERBSA-N 1 0 209.293 0.840 20 30 BCEDRO COC[C@@H](C)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598619203 349002177 /nfs/dbraw/zinc/00/21/77/349002177.db2.gz LXFBYFWPOMOZIJ-NXEZZACHSA-N 1 0 214.309 0.912 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC[NH2+][C@@H](C(C)C)C1 ZINC000598576605 348993827 /nfs/dbraw/zinc/99/38/27/348993827.db2.gz XPESPOQHNIZJJM-GHMZBOCLSA-N 1 0 223.320 0.993 20 30 BCEDRO CC(C)[C@H]1CN(C(=O)CSCC#N)CC[NH2+]1 ZINC000598577009 348994004 /nfs/dbraw/zinc/99/40/04/348994004.db2.gz ZLJKGURWRJJBRH-SNVBAGLBSA-N 1 0 241.360 0.700 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000598576607 348994133 /nfs/dbraw/zinc/99/41/33/348994133.db2.gz XPESPOQHNIZJJM-QWRGUYRKSA-N 1 0 223.320 0.993 20 30 BCEDRO CCC[N@H+](CCO)C[C@H](O)CC(C)(C)C#N ZINC000598585329 348994779 /nfs/dbraw/zinc/99/47/79/348994779.db2.gz ANOGILPXUHRYMJ-LLVKDONJSA-N 1 0 228.336 0.991 20 30 BCEDRO C[C@H](O)CC[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598593815 348998311 /nfs/dbraw/zinc/99/83/11/348998311.db2.gz WDQMSSFHYVTGSS-QWRGUYRKSA-N 1 0 228.336 0.990 20 30 BCEDRO C[C@H](CO)[C@H](C)[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598611813 348999617 /nfs/dbraw/zinc/99/96/17/348999617.db2.gz JQSUBABXERXAGO-VWYCJHECSA-N 1 0 228.336 0.894 20 30 BCEDRO C[C@@H]([NH2+]C[C@H](O)CC(C)(C)C#N)[C@H](C)CO ZINC000598611807 348999797 /nfs/dbraw/zinc/99/97/97/348999797.db2.gz JQSUBABXERXAGO-GMTAPVOTSA-N 1 0 228.336 0.894 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[N@@H+]1C[C@H](O)C(C)(C)C1 ZINC000598615081 349000459 /nfs/dbraw/zinc/00/04/59/349000459.db2.gz SOHPQMVMYKDOCW-QWRGUYRKSA-N 1 0 240.347 0.990 20 30 BCEDRO C[C@@H](CCO)[N@H+](C)C[C@@H](O)CC(C)(C)C#N ZINC000598622902 349003400 /nfs/dbraw/zinc/00/34/00/349003400.db2.gz OTIHJGATTXKWTH-QWRGUYRKSA-N 1 0 228.336 0.990 20 30 BCEDRO C[NH2+]C1(CNc2cnc(C#N)cn2)CCC1 ZINC000598632231 349005091 /nfs/dbraw/zinc/00/50/91/349005091.db2.gz BRGRNPJXNUYNBC-UHFFFAOYSA-N 1 0 217.276 0.902 20 30 BCEDRO C[C@H](O)[C@@H]1CC[N@H+](C[C@H](O)CC(C)(C)C#N)C1 ZINC000598604294 349006181 /nfs/dbraw/zinc/00/61/81/349006181.db2.gz QFUDTZAMCSJZGN-QJPTWQEYSA-N 1 0 240.347 0.990 20 30 BCEDRO C[C@@H]1CN(c2ncncc2C#N)CC[NH2+]1 ZINC000308896245 349055463 /nfs/dbraw/zinc/05/54/63/349055463.db2.gz SMTNQEUYISBCGL-MRVPVSSYSA-N 1 0 203.249 0.146 20 30 BCEDRO CC(C)(C#N)C[C@H](O)C[NH2+]Cc1cc[nH]n1 ZINC000598714745 349024992 /nfs/dbraw/zinc/02/49/92/349024992.db2.gz JZRDKEODPIGKTJ-JTQLQIEISA-N 1 0 222.292 0.800 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CCn1ccnc1 ZINC000598715692 349026071 /nfs/dbraw/zinc/02/60/71/349026071.db2.gz SENSOKCWVFURCV-LLVKDONJSA-N 1 0 236.319 0.773 20 30 BCEDRO CN(C)C(=O)CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598716128 349026163 /nfs/dbraw/zinc/02/61/63/349026163.db2.gz XUFPXNOXOAJNJP-SNVBAGLBSA-N 1 0 241.335 0.355 20 30 BCEDRO CN1C[C@@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)CC1=O ZINC000598718693 349027188 /nfs/dbraw/zinc/02/71/88/349027188.db2.gz CMWGRZFHGIWILB-UWVGGRQHSA-N 1 0 239.319 0.107 20 30 BCEDRO CN1CCC[C@H]([NH2+]C[C@@H](O)CC(C)(C)C#N)C1 ZINC000598721532 349027786 /nfs/dbraw/zinc/02/77/86/349027786.db2.gz WUSSODGTEUCHRK-RYUDHWBXSA-N 1 0 239.363 0.971 20 30 BCEDRO COC[C@H](CCO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598729221 349031150 /nfs/dbraw/zinc/03/11/50/349031150.db2.gz HLIBAEDFRAIOEN-WDEREUQCSA-N 1 0 244.335 0.274 20 30 BCEDRO COC[C@@H](O)CC[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598729405 349031484 /nfs/dbraw/zinc/03/14/84/349031484.db2.gz IUYKRJWZVQHUGV-WDEREUQCSA-N 1 0 244.335 0.274 20 30 BCEDRO CC(C)(C#N)C[C@@H](O)C[NH2+]CC1(CO)CC1 ZINC000598730727 349032499 /nfs/dbraw/zinc/03/24/99/349032499.db2.gz ZTGBJQBVTMJKOH-SNVBAGLBSA-N 1 0 226.320 0.649 20 30 BCEDRO C[C@H](CCO)C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598730402 349032601 /nfs/dbraw/zinc/03/26/01/349032601.db2.gz UXXLTIGIODRJLD-MNOVXSKESA-N 1 0 228.336 0.895 20 30 BCEDRO CC(=O)NCCC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000598700935 349034217 /nfs/dbraw/zinc/03/42/17/349034217.db2.gz RURYCTWZGIWTKM-NSHDSACASA-N 1 0 241.335 0.403 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@H]2CCOC[C@H]2O)c1 ZINC000599010781 349076031 /nfs/dbraw/zinc/07/60/31/349076031.db2.gz DRCAEDRYULCVAS-CHWSQXEVSA-N 1 0 232.283 0.798 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000599070211 349087521 /nfs/dbraw/zinc/08/75/21/349087521.db2.gz JJRXMFPUTPLBQO-DOLQZWNJSA-N 1 0 207.277 0.532 20 30 BCEDRO N#C[C@H]1CC[C@H]([NH2+][C@H]2C[C@H](C(N)=O)C2)C1 ZINC000599070232 349087875 /nfs/dbraw/zinc/08/78/75/349087875.db2.gz JJRXMFPUTPLBQO-XKNYDFJKSA-N 1 0 207.277 0.532 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+]CCN2CC[C@H](O)C2)C1 ZINC000599093279 349092063 /nfs/dbraw/zinc/09/20/63/349092063.db2.gz OIPFYQZLTIEGGD-UTUOFQBUSA-N 1 0 223.320 0.335 20 30 BCEDRO CC[N@H+](CCO)C[C@H](O)CC1(C#N)CC1 ZINC000599284364 349147447 /nfs/dbraw/zinc/14/74/47/349147447.db2.gz ROAXULDCLXNPIE-SNVBAGLBSA-N 1 0 212.293 0.355 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)CC1(O)CCC1 ZINC000599437363 349177174 /nfs/dbraw/zinc/17/71/74/349177174.db2.gz OVQOWVDQKGJGFN-MNOVXSKESA-N 1 0 226.320 0.934 20 30 BCEDRO Cn1cc(CC[NH+]2CCC(C)(C#N)CC2)nn1 ZINC000599365456 349160703 /nfs/dbraw/zinc/16/07/03/349160703.db2.gz CYAJVTVCGKBYHL-UHFFFAOYSA-N 1 0 233.319 0.983 20 30 BCEDRO COC[C@@H](C)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599401052 349172416 /nfs/dbraw/zinc/17/24/16/349172416.db2.gz KCBQEPTZXPXEAY-ZJUUUORDSA-N 1 0 212.293 0.666 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)CC(=O)OCC ZINC000599433530 349174169 /nfs/dbraw/zinc/17/41/69/349174169.db2.gz UNQBMUSOZHSHMJ-MXWKQRLJSA-N 1 0 243.303 0.234 20 30 BCEDRO C=CC[C@@H]1CC[N@@H+](CCCC(=O)NC(N)=O)C1 ZINC000599526148 349208002 /nfs/dbraw/zinc/20/80/02/349208002.db2.gz GCRYQYRDFUAJLC-SNVBAGLBSA-N 1 0 239.319 0.860 20 30 BCEDRO N#Cc1ccc(CC[NH+]2C[C@H](O)[C@@H](O)C2)cc1 ZINC000599531776 349209987 /nfs/dbraw/zinc/20/99/87/349209987.db2.gz OTWAEUKIETUHDN-STQMWFEESA-N 1 0 232.283 0.138 20 30 BCEDRO N#CCCCC[NH+]1CCN(c2nccnn2)CC1 ZINC000599509081 349213859 /nfs/dbraw/zinc/21/38/59/349213859.db2.gz GATNMZBRVREYGA-UHFFFAOYSA-N 1 0 246.318 0.687 20 30 BCEDRO CC#CC[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000599565716 349219657 /nfs/dbraw/zinc/21/96/57/349219657.db2.gz VVXZZWROPRHHID-NSHDSACASA-N 1 0 211.261 0.274 20 30 BCEDRO C[C@H]1O[C@@H](C)[C@H](C)[C@@H]1[NH2+]CC(=O)NCC#N ZINC000599624013 349230852 /nfs/dbraw/zinc/23/08/52/349230852.db2.gz JDXFVKRNDAMEMX-CKEKPRIKSA-N 1 0 225.292 0.028 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H]2CC[C@@H](C1)[S@]2=O ZINC000599633487 349237273 /nfs/dbraw/zinc/23/72/73/349237273.db2.gz RDRUUDSRGFTXKD-JBBSTSQOSA-N 1 0 243.372 0.909 20 30 BCEDRO Cn1cc(CC[N@@H+]2CCC[C@H](CC#N)C2)nn1 ZINC000599469147 349193454 /nfs/dbraw/zinc/19/34/54/349193454.db2.gz KQBHATTVEXCQPP-LLVKDONJSA-N 1 0 233.319 0.983 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000599482016 349202792 /nfs/dbraw/zinc/20/27/92/349202792.db2.gz QHAWUJBDCQRCEU-ZJUUUORDSA-N 1 0 210.277 0.178 20 30 BCEDRO C=CC[C@H]1CC[N@@H+](CCC(=O)NC(N)=O)C1 ZINC000599526493 349207558 /nfs/dbraw/zinc/20/75/58/349207558.db2.gz NCLBMKFFWKVEBM-VIFPVBQESA-N 1 0 225.292 0.469 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1nccn1CC ZINC000309053894 323221227 /nfs/dbraw/zinc/22/12/27/323221227.db2.gz SNSSLPGVXOKFBY-JTQLQIEISA-N 1 0 209.293 0.930 20 30 BCEDRO C[NH2+]CCOCCNC(=O)NCC(C)(C)C#N ZINC000599916434 349270720 /nfs/dbraw/zinc/27/07/20/349270720.db2.gz BTGJPWOCAIIKQB-UHFFFAOYSA-N 1 0 242.323 0.071 20 30 BCEDRO C[NH+](C)[C@@H]1[C@H]2CN(C(=O)CSCC#N)C[C@H]21 ZINC000599989369 349277521 /nfs/dbraw/zinc/27/75/21/349277521.db2.gz YVNHKLIMZSNCQL-JZYVYDRUSA-N 1 0 239.344 0.262 20 30 BCEDRO C[C@@H](CC#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000599991542 349278199 /nfs/dbraw/zinc/27/81/99/349278199.db2.gz KMPFFPBFFIEWQJ-UKKRHICBSA-N 1 0 221.304 0.555 20 30 BCEDRO C=CCN(C)C(=O)C[NH2+]C[C@H]1CCCO1 ZINC000261554773 166314833 /nfs/dbraw/zinc/31/48/33/166314833.db2.gz UNOXZYKCKHBLEJ-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C[C@H]1CN(CCCC#N)CC[S@]1=O ZINC000307608086 349324042 /nfs/dbraw/zinc/32/40/42/349324042.db2.gz CLXXEHKKHKZBGT-TVQRCGJNSA-N 1 0 200.307 0.743 20 30 BCEDRO N#CC1(C[C@@H](O)CN2CC3(C2)CCCO3)CC1 ZINC000601964267 349403091 /nfs/dbraw/zinc/40/30/91/349403091.db2.gz MKRYLCMPOVQZKC-LLVKDONJSA-N 1 0 236.315 0.906 20 30 BCEDRO C[C@@](O)(C[C@H](O)C[NH2+]CC1(C#N)CC1)C1CC1 ZINC000601967644 349404514 /nfs/dbraw/zinc/40/45/14/349404514.db2.gz VRQDTVLXQAQSEY-NWDGAFQWSA-N 1 0 238.331 0.792 20 30 BCEDRO C=C(C)CC[NH2+]C[C@H](O)CN1CCOCC1 ZINC000395395062 323225375 /nfs/dbraw/zinc/22/53/75/323225375.db2.gz ZGCJQIFMARCACC-LBPRGKRZSA-N 1 0 228.336 0.235 20 30 BCEDRO C[C@H](C(=O)N(C)C1(C#N)CCC1)[NH+](C)C ZINC000602080230 349430031 /nfs/dbraw/zinc/43/00/31/349430031.db2.gz IEZAMORBVFEWCV-SECBINFHSA-N 1 0 209.293 0.841 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCCC[C@@H]1CCO ZINC000342067325 538044790 /nfs/dbraw/zinc/04/47/90/538044790.db2.gz SAXOFUANOFNGFM-GFCCVEGCSA-N 1 0 240.347 0.916 20 30 BCEDRO N#Cc1cc(N2CCC[C@]3(CC[NH2+]C3)C2)ncn1 ZINC000601980107 349413168 /nfs/dbraw/zinc/41/31/68/349413168.db2.gz FFVXXNJRCNNIRI-CYBMUJFWSA-N 1 0 243.314 0.928 20 30 BCEDRO CC(C)([NH3+])CN1CCN(CCC#N)CC1 ZINC000602024039 349419547 /nfs/dbraw/zinc/41/95/47/349419547.db2.gz ZLNZPRCBBFQKMC-UHFFFAOYSA-N 1 0 210.325 0.255 20 30 BCEDRO CC(C)C[C@@H]([NH3+])CN1CCN(CCC#N)CC1 ZINC000602023606 349419735 /nfs/dbraw/zinc/41/97/35/349419735.db2.gz YQEFJXCYLZCUEH-CYBMUJFWSA-N 1 0 238.379 0.891 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1CCC[N@H+]1C ZINC000618523967 350128572 /nfs/dbraw/zinc/12/85/72/350128572.db2.gz XYTYQEUAUGPURJ-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCN(C)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000637000917 350136066 /nfs/dbraw/zinc/13/60/66/350136066.db2.gz CIYBZQSZUXNXFO-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCN(C)C(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000637000916 350136546 /nfs/dbraw/zinc/13/65/46/350136546.db2.gz CIYBZQSZUXNXFO-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=C[C@@H](CO)NC(=O)c1ccc(C[NH+](C)C)nc1 ZINC000426857509 191047225 /nfs/dbraw/zinc/04/72/25/191047225.db2.gz IIORRWZOININJP-NSHDSACASA-N 1 0 249.314 0.420 20 30 BCEDRO CC[C@](C)([NH2+]CCCSCC#N)C(N)=O ZINC000133130373 191038390 /nfs/dbraw/zinc/03/83/90/191038390.db2.gz RQRYVDXUBCXHDZ-JTQLQIEISA-N 1 0 229.349 0.877 20 30 BCEDRO CSC1(CNC(=O)CC#N)CC[NH+](C)CC1 ZINC000427152372 191055378 /nfs/dbraw/zinc/05/53/78/191055378.db2.gz JCMZALFFNWJPSK-UHFFFAOYSA-N 1 0 241.360 0.844 20 30 BCEDRO N#CCNC(=O)[C@@H](C1CC1)[NH+]1CCCC1 ZINC000123836048 191074855 /nfs/dbraw/zinc/07/48/55/191074855.db2.gz CSWVFSRAKZAWES-SNVBAGLBSA-N 1 0 207.277 0.501 20 30 BCEDRO C=CCCC[NH+]1CCN(CC(=O)OC)CC1 ZINC000355275028 350224704 /nfs/dbraw/zinc/22/47/04/350224704.db2.gz KRDYUZDNYUNBNY-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO CCC[C@@H](C#N)NC(=O)[C@@H]1CC[N@H+](C)C1 ZINC000386229703 362952952 /nfs/dbraw/zinc/95/29/52/362952952.db2.gz LYUPCZPEHTYHHQ-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO N#Cc1nccc(N2CCC(C[NH3+])CC2)n1 ZINC000309324155 350319817 /nfs/dbraw/zinc/31/98/17/350319817.db2.gz HNSSVBLNVBYJQA-UHFFFAOYSA-N 1 0 217.276 0.523 20 30 BCEDRO CC(C)NC(=[NH2+])NCc1nnc(C(C)(C)C)[nH]1 ZINC000263025789 535123899 /nfs/dbraw/zinc/12/38/99/535123899.db2.gz APLZOEZXPUDEEV-UHFFFAOYSA-N 1 0 238.339 0.915 20 30 BCEDRO C=C(C)C[N@H+]1CCC[C@@H]1CS(=O)(=O)NC ZINC000336653303 350420138 /nfs/dbraw/zinc/42/01/38/350420138.db2.gz XXHFDUUDLRPPPB-SNVBAGLBSA-N 1 0 232.349 0.576 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000336665154 350425837 /nfs/dbraw/zinc/42/58/37/350425837.db2.gz FLBUNNBROQJJBQ-VIFPVBQESA-N 1 0 245.348 0.289 20 30 BCEDRO Cn1nnnc1CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000618571431 350492231 /nfs/dbraw/zinc/49/22/31/350492231.db2.gz PIKIRGBUUJORAV-VHSXEESVSA-N 1 0 234.307 0.425 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)NC1CC([NH+](C)C)C1 ZINC000622007631 370659469 /nfs/dbraw/zinc/65/94/69/370659469.db2.gz GYMIEAZYPPHFJG-HCWSGVFWSA-N 1 0 238.331 0.786 20 30 BCEDRO N#CCC(=O)N1CC[N@@H+]2CCCC[C@@H]2C1 ZINC000094439845 350483336 /nfs/dbraw/zinc/48/33/36/350483336.db2.gz JZJIXUDPHBCZCH-SNVBAGLBSA-N 1 0 207.277 0.597 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000061645876 350520684 /nfs/dbraw/zinc/52/06/84/350520684.db2.gz JCYJDPAFUUWIAM-VHSXEESVSA-N 1 0 209.293 0.699 20 30 BCEDRO C=CCCN1CCN(S(C)(=O)=O)[C@@H](C)C1 ZINC000335645971 350649934 /nfs/dbraw/zinc/64/99/34/350649934.db2.gz PUHNCIKTLLTHAK-JTQLQIEISA-N 1 0 232.349 0.528 20 30 BCEDRO N#CCC1(CNc2cc[nH+]cc2C(N)=O)CC1 ZINC000577573078 365996887 /nfs/dbraw/zinc/99/68/87/365996887.db2.gz RIQXIDKNPQBQIE-UHFFFAOYSA-N 1 0 230.271 0.708 20 30 BCEDRO C=C(Cl)CNC(=O)C[NH2+]CC1CC1 ZINC000158242402 187468572 /nfs/dbraw/zinc/46/85/72/187468572.db2.gz JROCILIVOANORM-UHFFFAOYSA-N 1 0 202.685 0.855 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H](O)COCC(C)C ZINC000339754592 350818974 /nfs/dbraw/zinc/81/89/74/350818974.db2.gz SKKQVBUSJMNGQA-GFCCVEGCSA-N 1 0 213.321 0.975 20 30 BCEDRO C[N@@H+]1CCO[C@H]2CN(c3ncccc3C#N)C[C@@H]21 ZINC000153161464 362981967 /nfs/dbraw/zinc/98/19/67/362981967.db2.gz RMGWMZKOPWRJAZ-RYUDHWBXSA-N 1 0 244.298 0.472 20 30 BCEDRO CC[NH+](CC)CC(=O)N[C@H](C#N)C1CC1 ZINC000343078899 350900167 /nfs/dbraw/zinc/90/01/67/350900167.db2.gz GKAMSWMTUXUKBB-SNVBAGLBSA-N 1 0 209.293 0.747 20 30 BCEDRO CNC(=O)CC[N@@H+]1CCC[C@H](CC#N)C1 ZINC000397719065 350965886 /nfs/dbraw/zinc/96/58/86/350965886.db2.gz VOXHMSBUDZTREM-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C[C@@H]([NH2+]Cc1ccc(C#N)o1)[C@@H]1CN(C)CCO1 ZINC000129102454 350986873 /nfs/dbraw/zinc/98/68/73/350986873.db2.gz SKGYOXUORBLTKT-MFKMUULPSA-N 1 0 249.314 0.960 20 30 BCEDRO CCC[N@@H+]1CC[C@H](NC(=O)[C@H](C)C#N)C1 ZINC000389905012 351054378 /nfs/dbraw/zinc/05/43/78/351054378.db2.gz SCANIRIXBUPHGT-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO N#Cc1ccc([C@H]2CN(CC[NH3+])CCO2)cc1 ZINC000616647512 351174103 /nfs/dbraw/zinc/17/41/03/351174103.db2.gz UQFISBVNLFTYSM-CYBMUJFWSA-N 1 0 231.299 0.890 20 30 BCEDRO C[N@@H+]1CCC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000611030445 358461469 /nfs/dbraw/zinc/46/14/69/358461469.db2.gz VISFPQVKTRFXTK-SNVBAGLBSA-N 1 0 232.287 0.710 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)N1CCSC[C@@H]1C#N ZINC000271695676 351427645 /nfs/dbraw/zinc/42/76/45/351427645.db2.gz GFUMUVVNUKRHDJ-FSIBCCDJSA-N 1 0 239.344 0.572 20 30 BCEDRO CC(C)[NH+]1CCN(c2nccc(C#N)n2)CC1 ZINC000231897309 351442486 /nfs/dbraw/zinc/44/24/86/351442486.db2.gz ZAFXDVQEWJUYHU-UHFFFAOYSA-N 1 0 231.303 0.879 20 30 BCEDRO C[NH2+]C[C@H](C)CNc1nccc(C#N)n1 ZINC000231943932 351476590 /nfs/dbraw/zinc/47/65/90/351476590.db2.gz BYPXRIFQZZNMCP-QMMMGPOBSA-N 1 0 205.265 0.616 20 30 BCEDRO COc1cc(CNC(=[NH2+])N(C)C2CC2)ccn1 ZINC000273383789 351526063 /nfs/dbraw/zinc/52/60/63/351526063.db2.gz YIKHOPRMTBCMHL-UHFFFAOYSA-N 1 0 234.303 0.999 20 30 BCEDRO N#CCCC[NH2+][C@@H](Cc1ccccc1)C(N)=O ZINC000273384957 351526515 /nfs/dbraw/zinc/52/65/15/351526515.db2.gz GSVGXYAGGJITEQ-LBPRGKRZSA-N 1 0 231.299 0.976 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](C)S(C)(=O)=O ZINC000577633775 366026780 /nfs/dbraw/zinc/02/67/80/366026780.db2.gz XWLMSSOAPOTLGD-ZJUUUORDSA-N 1 0 235.349 0.336 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@H](C)S(C)(=O)=O ZINC000577633773 366026804 /nfs/dbraw/zinc/02/68/04/366026804.db2.gz XWLMSSOAPOTLGD-UWVGGRQHSA-N 1 0 235.349 0.336 20 30 BCEDRO NC(=[NH2+])Nc1nc([C@H]2CCOC2)cs1 ZINC000273956889 351554708 /nfs/dbraw/zinc/55/47/08/351554708.db2.gz VTMATAJKFDXJAM-YFKPBYRVSA-N 1 0 212.278 0.552 20 30 BCEDRO C=CCn1cc(C[NH2+]CC2(O)CCCC2)nn1 ZINC000577742556 366049405 /nfs/dbraw/zinc/04/94/05/366049405.db2.gz XYJDWUGQYBBZNM-UHFFFAOYSA-N 1 0 236.319 0.859 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@]1(C)C[NH2+]CCO1 ZINC000637869262 351729510 /nfs/dbraw/zinc/72/95/10/351729510.db2.gz KCOBHIJIBIGSDY-LBPRGKRZSA-N 1 0 224.304 0.566 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@]1(C[NH3+])CCCOC1 ZINC000637869226 351729698 /nfs/dbraw/zinc/72/96/98/351729698.db2.gz JKBBNSWGFYYFFF-ZDUSSCGKSA-N 1 0 238.331 0.943 20 30 BCEDRO C=CCNC(=O)[C@H](N)C[N@@H+](C)Cc1ccccc1 ZINC000637871790 351734249 /nfs/dbraw/zinc/73/42/49/351734249.db2.gz SNMPKBDNCCFDAK-CYBMUJFWSA-N 1 0 247.342 0.748 20 30 BCEDRO C=CCNC(=O)[C@]1(COC)CCCC[NH2+]1 ZINC000637870597 351736721 /nfs/dbraw/zinc/73/67/21/351736721.db2.gz CZHWWVBNPBMFQT-LLVKDONJSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000577750485 366053388 /nfs/dbraw/zinc/05/33/88/366053388.db2.gz HXLCNBKROOXPMX-DTWKUNHWSA-N 1 0 220.338 0.608 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1CNS(=O)(=O)[C@@H](C)C#N ZINC000088475396 351802950 /nfs/dbraw/zinc/80/29/50/351802950.db2.gz JOQFAGFIOZYQEY-UWVGGRQHSA-N 1 0 245.348 0.302 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H](C[NH3+])[C@H](C)C1 ZINC000631967969 363095137 /nfs/dbraw/zinc/09/51/37/363095137.db2.gz PMYLGSWYWWUEQB-NXEZZACHSA-N 1 0 232.349 0.419 20 30 BCEDRO N#CCCCNC(=O)NCC[N@H+]1CC=CCC1 ZINC000280660303 351855745 /nfs/dbraw/zinc/85/57/45/351855745.db2.gz SVBOSRCBHWZSOD-UHFFFAOYSA-N 1 0 236.319 0.851 20 30 BCEDRO N#C[C@@H]1CC[C@H]([NH2+][C@H]2CCC(=O)NC2)C1 ZINC000336733967 351884136 /nfs/dbraw/zinc/88/41/36/351884136.db2.gz MSWCIGOOOOZMSC-UTLUCORTSA-N 1 0 207.277 0.547 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000638008767 351885712 /nfs/dbraw/zinc/88/57/12/351885712.db2.gz IEOYQAVRQFYNHN-JQWIXIFHSA-N 1 0 226.320 0.823 20 30 BCEDRO C=CC[C@H](C)NC(=O)[C@@]1(C[NH3+])CCCOC1 ZINC000638008766 351885974 /nfs/dbraw/zinc/88/59/74/351885974.db2.gz IEOYQAVRQFYNHN-CMPLNLGQSA-N 1 0 226.320 0.823 20 30 BCEDRO N#CCC[N@H+]1CCCC[C@H]1[C@H]1CNC(=O)C1 ZINC000125614866 191144297 /nfs/dbraw/zinc/14/42/97/191144297.db2.gz PQFAPTGHIRLAFN-MNOVXSKESA-N 1 0 221.304 0.891 20 30 BCEDRO CNC(=[NH2+])NCCCc1cccc(C)n1 ZINC000284911754 352009473 /nfs/dbraw/zinc/00/94/73/352009473.db2.gz BBCXXFNTQRHTJR-UHFFFAOYSA-N 1 0 206.293 0.857 20 30 BCEDRO Cc1cnc(CON=C(N)[C@@H]2CCCO2)o1 ZINC000283920715 351986364 /nfs/dbraw/zinc/98/63/64/351986364.db2.gz DUXBANZRCVOFJT-QMMMGPOBSA-N 1 0 225.248 0.951 20 30 BCEDRO COCCn1cc(CNC(=[NH2+])NC2CC2)cn1 ZINC000283947191 351987541 /nfs/dbraw/zinc/98/75/41/351987541.db2.gz WMQWWTSIKXGVBV-UHFFFAOYSA-N 1 0 237.307 0.096 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@](O)(Cn2ccnn2)C1 ZINC000284660497 352002538 /nfs/dbraw/zinc/00/25/38/352002538.db2.gz WCKMVRNRXUYHID-GFCCVEGCSA-N 1 0 249.318 0.409 20 30 BCEDRO Cn1cc(CCCNC2=[NH+]CCN2C)cn1 ZINC000285067462 352019716 /nfs/dbraw/zinc/01/97/16/352019716.db2.gz MJJLFJUGQPTCFA-UHFFFAOYSA-N 1 0 221.308 0.244 20 30 BCEDRO Cc1nccn1CCCCNC1=[NH+]CCN1C ZINC000285187176 352028070 /nfs/dbraw/zinc/02/80/70/352028070.db2.gz VBWRRTYFYSYZJF-UHFFFAOYSA-N 1 0 235.335 0.863 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@@H]1CCNC1=O ZINC000340204977 352040837 /nfs/dbraw/zinc/04/08/37/352040837.db2.gz XQJCXVBDWRHPMA-LLVKDONJSA-N 1 0 225.336 0.315 20 30 BCEDRO C#C[C@@H](NC(=[NH2+])NCCOC)C(C)(C)C ZINC000287289592 352121151 /nfs/dbraw/zinc/12/11/51/352121151.db2.gz SDVVDCAFCQHFCE-SECBINFHSA-N 1 0 211.309 0.585 20 30 BCEDRO C#C[C@H](NC(=[NH2+])NCCOC)C(C)(C)C ZINC000287289596 352121349 /nfs/dbraw/zinc/12/13/49/352121349.db2.gz SDVVDCAFCQHFCE-VIFPVBQESA-N 1 0 211.309 0.585 20 30 BCEDRO CCNC(=[NH2+])NCc1noc2c1CCCC2 ZINC000287332991 352121775 /nfs/dbraw/zinc/12/17/75/352121775.db2.gz WGANFDSHQHVENG-UHFFFAOYSA-N 1 0 222.292 0.978 20 30 BCEDRO C=CCN(C)C(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638220853 352079931 /nfs/dbraw/zinc/07/99/31/352079931.db2.gz BHNDCXYBOVJEOR-GXSJLCMTSA-N 1 0 212.293 0.398 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C1=CC[C@@H]([NH3+])C1 ZINC000638363414 352173763 /nfs/dbraw/zinc/17/37/63/352173763.db2.gz SUSGBZBOJWXGJR-TUAOUCFPSA-N 1 0 236.315 0.741 20 30 BCEDRO C=C1CCN(C(=O)[C@]2(C)C[NH2+]CCO2)CC1 ZINC000638380880 352190951 /nfs/dbraw/zinc/19/09/51/352190951.db2.gz GWRPOAGPXQNOEI-LBPRGKRZSA-N 1 0 224.304 0.544 20 30 BCEDRO C=CCOCCNC(=O)[C@]1(C)C[C@@H](OC)C[NH2+]1 ZINC000638427101 352234945 /nfs/dbraw/zinc/23/49/45/352234945.db2.gz YGAYGAHXXLRDCL-PWSUYJOCSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCOCCNC(=O)[C@@]1(C)C[C@H](OC)C[NH2+]1 ZINC000638427099 352235071 /nfs/dbraw/zinc/23/50/71/352235071.db2.gz YGAYGAHXXLRDCL-CMPLNLGQSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)NC[C@H]1COCC[NH2+]1 ZINC000627027104 363120873 /nfs/dbraw/zinc/12/08/73/363120873.db2.gz IXLVNYGKCGOHDR-MNOVXSKESA-N 1 0 241.335 0.629 20 30 BCEDRO C=CCOCCNC(=O)c1oc(C[NH3+])cc1C ZINC000638423856 352231008 /nfs/dbraw/zinc/23/10/08/352231008.db2.gz FSMGOVNQNRQOBJ-UHFFFAOYSA-N 1 0 238.287 0.979 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000613374751 363149847 /nfs/dbraw/zinc/14/98/47/363149847.db2.gz IENYDHWZQASFAD-KOLCDFICSA-N 1 0 224.304 0.300 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H](C)C1=CC[N@H+](C)CC1 ZINC000613374864 363150363 /nfs/dbraw/zinc/15/03/63/363150363.db2.gz JRDHJZFVWZRULR-ZWNOBZJWSA-N 1 0 238.331 0.690 20 30 BCEDRO C=C(CC)CNC(=O)N(C)CCOCC[NH2+]C ZINC000627056114 363173369 /nfs/dbraw/zinc/17/33/69/363173369.db2.gz QANXEKJXOMKTHN-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO CN(CCC#N)C(=O)C[N@H+](C)[C@H]1CCSC1 ZINC000037174842 358469380 /nfs/dbraw/zinc/46/93/80/358469380.db2.gz ACLBJCVUSVVMBX-JTQLQIEISA-N 1 0 241.360 0.796 20 30 BCEDRO C=CC(C)(C)CNC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000627050160 363171138 /nfs/dbraw/zinc/17/11/38/363171138.db2.gz CSMWYXKVVYLAGG-SNVBAGLBSA-N 1 0 241.335 0.486 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N(CC)CC[NH3+] ZINC000627053074 363171708 /nfs/dbraw/zinc/17/17/08/363171708.db2.gz WWZQXJRJNNHLOR-MNOVXSKESA-N 1 0 241.335 0.710 20 30 BCEDRO C=CCN(CCC#N)C[C@@](C)(O)C(=O)OCC ZINC000292334680 352316271 /nfs/dbraw/zinc/31/62/71/352316271.db2.gz WPESFEDHXZJCKN-GFCCVEGCSA-N 1 0 240.303 0.702 20 30 BCEDRO C=CCOCC(=O)N1CC[NH2+]C[C@@H]1C(C)C ZINC000638488831 352297347 /nfs/dbraw/zinc/29/73/47/352297347.db2.gz WTYXWINAITVUFF-LLVKDONJSA-N 1 0 226.320 0.645 20 30 BCEDRO C[C@@](O)(CO)C[NH2+]Cc1cc(C#N)cs1 ZINC000086573795 352347965 /nfs/dbraw/zinc/34/79/65/352347965.db2.gz SEGSFEDAVULVLC-JTQLQIEISA-N 1 0 226.301 0.453 20 30 BCEDRO C=CCCOCC(=O)NCC1([NH3+])CCOCC1 ZINC000638538124 352369888 /nfs/dbraw/zinc/36/98/88/352369888.db2.gz KPPNYEBVGSTYRD-UHFFFAOYSA-N 1 0 242.319 0.203 20 30 BCEDRO C=CCCC(=O)NCCOCC[NH2+]C ZINC000638578899 352409122 /nfs/dbraw/zinc/40/91/22/352409122.db2.gz VRFRKAOLGTYYAQ-UHFFFAOYSA-N 1 0 200.282 0.305 20 30 BCEDRO CC[C@H](C#N)C(=O)N[C@H](C)CN1CCOCC1 ZINC000044825534 352442850 /nfs/dbraw/zinc/44/28/50/352442850.db2.gz AOUJYSMZYCDANC-GHMZBOCLSA-N 1 0 239.319 0.373 20 30 BCEDRO CC[C@@H](C#N)C(=O)NC[C@@H]1CC[N@H+](CC)C1 ZINC000044823678 352435152 /nfs/dbraw/zinc/43/51/52/352435152.db2.gz AJBQRXXPGWMKRP-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@H]1COCC[NH2+]1 ZINC000638621353 352460704 /nfs/dbraw/zinc/46/07/04/352460704.db2.gz WGZUALXKBNCNGA-MNOVXSKESA-N 1 0 242.319 0.072 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1cncn1C ZINC000336743173 352488324 /nfs/dbraw/zinc/48/83/24/352488324.db2.gz XTTBFXZBKFSHJM-SNVBAGLBSA-N 1 0 209.293 0.694 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+]Cc1cc(C#N)n(C)c1 ZINC000232316016 352618058 /nfs/dbraw/zinc/61/80/58/352618058.db2.gz FHLDJJJNIJNPSF-MRVPVSSYSA-N 1 0 220.276 0.250 20 30 BCEDRO C=CC[C@@H](CO)[NH2+][C@@H](C)CC(=O)NC ZINC000273467367 187748567 /nfs/dbraw/zinc/74/85/67/187748567.db2.gz RIUNZXBSXJGELD-IUCAKERBSA-N 1 0 200.282 0.038 20 30 BCEDRO C=C(C)C[N@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC000411901130 191228782 /nfs/dbraw/zinc/22/87/82/191228782.db2.gz FXTHUSUKBNXIPV-NSHDSACASA-N 1 0 226.320 0.599 20 30 BCEDRO C=CCC[N@H+]1CCN(C)C[C@H](C(=O)OC)C1 ZINC000411899825 191229089 /nfs/dbraw/zinc/22/90/89/191229089.db2.gz CODRQRDSQWAFPL-NSHDSACASA-N 1 0 226.320 0.599 20 30 BCEDRO C=CCCn1cc(C(=O)N[C@@H]2CC[NH2+][C@H]2C)nn1 ZINC000638766104 352702515 /nfs/dbraw/zinc/70/25/15/352702515.db2.gz RKGSQVINZIDYBB-VHSXEESVSA-N 1 0 249.318 0.334 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CC[C@H](C(=O)N(C)C)C1 ZINC000411932864 191231202 /nfs/dbraw/zinc/23/12/02/191231202.db2.gz AHSBKEIJIIBPHX-NWDGAFQWSA-N 1 0 240.347 0.724 20 30 BCEDRO COCC[NH+]1CCC(NCCC#N)CC1 ZINC000336746310 352737784 /nfs/dbraw/zinc/73/77/84/352737784.db2.gz BDKPUDHIDFEXBO-UHFFFAOYSA-N 1 0 211.309 0.600 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2C[C@H](C)C[C@H](O)C2)C1=O ZINC000412035902 191247860 /nfs/dbraw/zinc/24/78/60/191247860.db2.gz VFQWCVSSNBIRCR-GRYCIOLGSA-N 1 0 238.331 0.476 20 30 BCEDRO CC#CC[N@H+](C[C@@H]1CCC(=O)N1)C(C)C ZINC000412088804 191255700 /nfs/dbraw/zinc/25/57/00/191255700.db2.gz SMPNKKVSPCLGCR-NSHDSACASA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)NCCC[NH3+])C1 ZINC000627067519 363199117 /nfs/dbraw/zinc/19/91/17/363199117.db2.gz AOIWJADEMLTNIS-SNVBAGLBSA-N 1 0 211.309 0.943 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N(CC#N)C2CC2)C1 ZINC000334368581 353023192 /nfs/dbraw/zinc/02/31/92/353023192.db2.gz SOFGNRDCWMABJS-VIFPVBQESA-N 1 0 207.277 0.453 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@]1(OC)CCOC1 ZINC000638831324 353011132 /nfs/dbraw/zinc/01/11/32/353011132.db2.gz YLOYUFMPUVHJES-VXGBXAGGSA-N 1 0 229.320 0.566 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@H](C)O ZINC000264376332 166365717 /nfs/dbraw/zinc/36/57/17/166365717.db2.gz BTRFMTXNBJVBLC-WDEREUQCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000638917025 353080412 /nfs/dbraw/zinc/08/04/12/353080412.db2.gz OQFVLUDMHUFYSW-UWVGGRQHSA-N 1 0 210.277 0.152 20 30 BCEDRO C=CCn1cc(C(=O)N2C[C@H]([NH3+])C[C@H]2C)nn1 ZINC000638928385 353088047 /nfs/dbraw/zinc/08/80/47/353088047.db2.gz IKSNMUHDHYGSIR-RKDXNWHRSA-N 1 0 235.291 0.026 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H]([NH3+])C[C@H]1C ZINC000638934671 353096978 /nfs/dbraw/zinc/09/69/78/353096978.db2.gz ABZPFGWSANSFBZ-NXEZZACHSA-N 1 0 212.293 0.527 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000638939972 353124894 /nfs/dbraw/zinc/12/48/94/353124894.db2.gz TUVKBXVHQSFPCI-MXWKQRLJSA-N 1 0 226.320 0.916 20 30 BCEDRO C=CCn1cc(C(=O)N2C[C@H]3CC[C@@H](C2)[NH2+]3)nn1 ZINC000638938853 353120852 /nfs/dbraw/zinc/12/08/52/353120852.db2.gz MGJBIXGEKJTBQH-AOOOYVTPSA-N 1 0 247.302 0.041 20 30 BCEDRO C=CCOC[C@H](NCC1CC1)C(=O)OC ZINC000336754876 353146512 /nfs/dbraw/zinc/14/65/12/353146512.db2.gz HSMARNNINJSPTG-JTQLQIEISA-N 1 0 213.277 0.730 20 30 BCEDRO CC#CCN1CCN(Cc2noc(CC)n2)CC1 ZINC000174841652 188079901 /nfs/dbraw/zinc/07/99/01/188079901.db2.gz MLEYHXCJTFWQCC-UHFFFAOYSA-N 1 0 248.330 0.773 20 30 BCEDRO C=C[C@@H](C)NC(=O)NC[C@@H]1COCCN1C ZINC000623746990 353157792 /nfs/dbraw/zinc/15/77/92/353157792.db2.gz PCHGTLQIPRXAPX-NXEZZACHSA-N 1 0 227.308 0.191 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)[C@@H]1CCCO1 ZINC000273146396 188089930 /nfs/dbraw/zinc/08/99/30/188089930.db2.gz GLNHGLFQBRJDPW-MNOVXSKESA-N 1 0 224.304 0.283 20 30 BCEDRO C=C1CC[NH+](CCCOC(=O)NC(N)=O)CC1 ZINC000271420400 188090548 /nfs/dbraw/zinc/09/05/48/188090548.db2.gz YEOFCZWMFDCHCG-UHFFFAOYSA-N 1 0 241.291 0.833 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000273380383 188090768 /nfs/dbraw/zinc/09/07/68/188090768.db2.gz GRSNJNCZFFBUBC-NSHDSACASA-N 1 0 236.319 0.569 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)NC2CC2)C1 ZINC000273980634 188091173 /nfs/dbraw/zinc/09/11/73/188091173.db2.gz KTBUAURVVCJYOX-NSHDSACASA-N 1 0 221.304 0.546 20 30 BCEDRO C#CC[N@@H+](CCn1ccc([N+](=O)[O-])n1)C1CC1 ZINC000274153126 188092070 /nfs/dbraw/zinc/09/20/70/188092070.db2.gz LGDDNNLHWRRIOD-UHFFFAOYSA-N 1 0 234.259 0.889 20 30 BCEDRO C=C(C)CNC(=O)N[C@H]1CC[N@@H+](CCOC)C1 ZINC000275004117 188093775 /nfs/dbraw/zinc/09/37/75/188093775.db2.gz HOJCKCFNZQOFCA-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO CC#CC(=O)N[C@H]1CCC[C@@H]([NH+](C)C)C1 ZINC000277798935 188094594 /nfs/dbraw/zinc/09/45/94/188094594.db2.gz VLZQFFBUDREZAH-WDEREUQCSA-N 1 0 208.305 0.999 20 30 BCEDRO CC#CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@H](C)C1 ZINC000278749817 188095806 /nfs/dbraw/zinc/09/58/06/188095806.db2.gz FEDWWWMHRGCNAU-GHMZBOCLSA-N 1 0 208.305 0.951 20 30 BCEDRO CN(C)c1cc[nH+]cc1C(=O)N[C@H]1CNC(=O)C1 ZINC000330851982 353193879 /nfs/dbraw/zinc/19/38/79/353193879.db2.gz FNZKAOOJKLDVDD-MRVPVSSYSA-N 1 0 248.286 0.341 20 30 BCEDRO C[C@@H](CC#N)N(C)CCC(=O)N1CCOCC1 ZINC000330938149 353201563 /nfs/dbraw/zinc/20/15/63/353201563.db2.gz BDUPQKFPVNLGBN-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C[C@H](CCO)CNC(=O)NCc1nccn1C ZINC000330935234 353201656 /nfs/dbraw/zinc/20/16/56/353201656.db2.gz MEYSLEDPPXTYRB-SECBINFHSA-N 1 0 240.307 0.442 20 30 BCEDRO C[C@@H](CCO)CNC(=O)NCc1nccn1C ZINC000330935235 353201863 /nfs/dbraw/zinc/20/18/63/353201863.db2.gz MEYSLEDPPXTYRB-VIFPVBQESA-N 1 0 240.307 0.442 20 30 BCEDRO Cc1cc(=O)[nH]cc1C(=O)NCC[NH+](C)C ZINC000330952117 353203285 /nfs/dbraw/zinc/20/32/85/353203285.db2.gz KWIBECBXPSXPMZ-UHFFFAOYSA-N 1 0 223.276 0.962 20 30 BCEDRO CNC(=O)N[C@@H]1CC[N@H+](CCCCC#N)C1 ZINC000330958959 353204536 /nfs/dbraw/zinc/20/45/36/353204536.db2.gz WYDNKXUYJYDTED-SNVBAGLBSA-N 1 0 224.308 0.888 20 30 BCEDRO CC(=O)NCCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000336762388 353205935 /nfs/dbraw/zinc/20/59/35/353205935.db2.gz OCMHZXAAEXYOOT-GHMZBOCLSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](C)C[C@H]1[C@@H](C)O ZINC000331273551 353233041 /nfs/dbraw/zinc/23/30/41/353233041.db2.gz CVCGQGFWCHANHM-TUAOUCFPSA-N 1 0 240.347 0.770 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NC(=O)N(C)CCCO)C1 ZINC000331260556 353238694 /nfs/dbraw/zinc/23/86/94/353238694.db2.gz BAZCSYKOUDSQND-NSHDSACASA-N 1 0 243.351 0.699 20 30 BCEDRO CC[C@@H](O)C[NH2+]Cc1nc(C#N)cs1 ZINC000336654800 188163691 /nfs/dbraw/zinc/16/36/91/188163691.db2.gz MZMAGFTXXQBTMC-MRVPVSSYSA-N 1 0 211.290 0.875 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2ccco2)n1 ZINC000309600823 188149720 /nfs/dbraw/zinc/14/97/20/188149720.db2.gz WJRXEKVTPRIKIK-UHFFFAOYSA-N 1 0 217.232 0.533 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CCCCNC1=O ZINC000126419968 353250260 /nfs/dbraw/zinc/25/02/60/353250260.db2.gz VIEPHOFICKLDTH-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO C=CCNC(=O)NC(=O)C[NH2+][C@H]1CCC[C@@H]1C ZINC000333972596 353255457 /nfs/dbraw/zinc/25/54/57/353255457.db2.gz KTFPMVHXHFXWOE-UWVGGRQHSA-N 1 0 239.319 0.776 20 30 BCEDRO C=CC[N@H+](C)CCN1C(=O)NC(C)(C)C1=O ZINC000127152018 353262273 /nfs/dbraw/zinc/26/22/73/353262273.db2.gz BQNBIZMHUKDGAE-UHFFFAOYSA-N 1 0 225.292 0.435 20 30 BCEDRO C=CC[N@H+](C)CCCN1C(=O)CNC1=O ZINC000127148134 353263745 /nfs/dbraw/zinc/26/37/45/353263745.db2.gz ZZACFGGQIOLWMY-UHFFFAOYSA-N 1 0 211.265 0.046 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](CCOC)[C@@H](C)C(N)=O ZINC000128173060 353287161 /nfs/dbraw/zinc/28/71/61/353287161.db2.gz XULMXPQXOQZOMC-WDEREUQCSA-N 1 0 244.335 0.136 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](COC)C1CC1 ZINC000167155647 188226505 /nfs/dbraw/zinc/22/65/05/188226505.db2.gz OJOMYURWJBFKGL-NSHDSACASA-N 1 0 224.304 0.141 20 30 BCEDRO C=CC[C@@]1(C(=O)N2CCn3nccc32)CCC[NH2+]1 ZINC000639034738 353307851 /nfs/dbraw/zinc/30/78/51/353307851.db2.gz MEGSNNDZUBLMQJ-ZDUSSCGKSA-N 1 0 246.314 0.928 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCO[C@@H](C)C1 ZINC000253600977 353334011 /nfs/dbraw/zinc/33/40/11/353334011.db2.gz FRVDPQKIHHAISD-VHSXEESVSA-N 1 0 212.293 0.398 20 30 BCEDRO 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BCEDRO CC1=C[C@@H](C)C[N@H+](CC(=O)NCC#N)C1 ZINC000334595955 354229264 /nfs/dbraw/zinc/22/92/64/354229264.db2.gz QPSPENQCPGIVIU-SECBINFHSA-N 1 0 207.277 0.524 20 30 BCEDRO N#Cc1ccc(C(=O)NCC[N@H+]2CC=CCC2)[nH]1 ZINC000280303740 181099566 /nfs/dbraw/zinc/09/95/66/181099566.db2.gz SEJKHHYWSXVXNH-UHFFFAOYSA-N 1 0 244.298 0.878 20 30 BCEDRO N#Cc1ccc(C(=O)NCC[NH+]2CCCC2)[nH]1 ZINC000337408426 181100433 /nfs/dbraw/zinc/10/04/33/181100433.db2.gz VJTJDCBUIKYRCL-UHFFFAOYSA-N 1 0 232.287 0.712 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[C@@H](C)[NH+]1CCCCC1 ZINC000613464373 363369235 /nfs/dbraw/zinc/36/92/35/363369235.db2.gz ALIUVIFZDKESPF-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CC[NH+](C(C)C)CC1 ZINC000301045169 363373101 /nfs/dbraw/zinc/37/31/01/363373101.db2.gz NJCJJAWSGQZOOW-NSHDSACASA-N 1 0 226.320 0.740 20 30 BCEDRO N#Cc1ccc(C[N@@H+](CCO)CCCO)s1 ZINC000124441282 181102291 /nfs/dbraw/zinc/10/22/91/181102291.db2.gz YMJVDQGRGLSRSK-UHFFFAOYSA-N 1 0 240.328 0.796 20 30 BCEDRO CS[C@@H]1CN(C(=O)[C@H](C)C#N)C[C@H]1[NH+](C)C ZINC000344761943 354355863 /nfs/dbraw/zinc/35/58/63/354355863.db2.gz ROLGQUDLFNLMID-OPRDCNLKSA-N 1 0 241.360 0.650 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCOCCO)o1 ZINC000135481050 181107791 /nfs/dbraw/zinc/10/77/91/181107791.db2.gz DXKPZPKWOPQVHU-UHFFFAOYSA-N 1 0 210.233 0.250 20 30 BCEDRO COC(=O)CN1CCC([NH2+]CCCC#N)CC1 ZINC000344744691 354348509 /nfs/dbraw/zinc/34/85/09/354348509.db2.gz XPGAVTYALPXPOC-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO N#Cc1ccc(C[NH2+]C(CO)CO)cc1 ZINC000083691066 181107085 /nfs/dbraw/zinc/10/70/85/181107085.db2.gz ACTABQYURFFQPN-UHFFFAOYSA-N 1 0 206.245 0.001 20 30 BCEDRO CC[N@H+](CC(=O)NC[C@@H](C)C#N)C1CC1 ZINC000179046918 366201336 /nfs/dbraw/zinc/20/13/36/366201336.db2.gz BOYKERIOYJZBOX-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C=C(C)CC[N@@H+]1CC[C@@H]2OCC(=O)N[C@H]2C1 ZINC000334643509 354400651 /nfs/dbraw/zinc/40/06/51/354400651.db2.gz DMRAKTLMFKLBMP-QWRGUYRKSA-N 1 0 224.304 0.542 20 30 BCEDRO CC[C@H](C(=O)N1CCSC[C@@H]1C#N)[NH+](C)C ZINC000334651460 354444641 /nfs/dbraw/zinc/44/46/41/354444641.db2.gz DKBPYDAPZPUHTR-VHSXEESVSA-N 1 0 241.360 0.794 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2CCCNC2=O)c1 ZINC000050394113 181138412 /nfs/dbraw/zinc/13/84/12/181138412.db2.gz ZXXTZGOECHVECA-LBPRGKRZSA-N 1 0 229.283 0.926 20 30 BCEDRO N#Cc1cccc(C2([NH2+]CC(N)=O)CC2)c1 ZINC000271810693 181136483 /nfs/dbraw/zinc/13/64/83/181136483.db2.gz QRUFJZXNUCHWQA-UHFFFAOYSA-N 1 0 215.256 0.622 20 30 BCEDRO CN(c1ccnc(C#N)n1)[C@@H]1CCC[N@H+](C)C1 ZINC000383648197 354720322 /nfs/dbraw/zinc/72/03/22/354720322.db2.gz CWYVYYAPWBHLMK-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627161454 363402573 /nfs/dbraw/zinc/40/25/73/363402573.db2.gz SLZJKXMZADBMPF-OUAUKWLOSA-N 1 0 241.335 0.363 20 30 BCEDRO C=CCN(C)C(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000627163728 363403320 /nfs/dbraw/zinc/40/33/20/363403320.db2.gz SBCMHLFYHFFNSJ-VHSXEESVSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCOCC(=O)N[C@H](C)C[NH+](C)C ZINC000346155232 354871772 /nfs/dbraw/zinc/87/17/72/354871772.db2.gz JIGNGUVAYLLZCK-SECBINFHSA-N 1 0 200.282 0.255 20 30 BCEDRO CCOCCOCCN(C)CCC#N ZINC000346693716 355076464 /nfs/dbraw/zinc/07/64/64/355076464.db2.gz PDPJECTWWRSKHL-UHFFFAOYSA-N 1 0 200.282 0.885 20 30 BCEDRO C=CCC(C)(C)C(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000346733269 355089376 /nfs/dbraw/zinc/08/93/76/355089376.db2.gz UXKBXFVQUHOFAA-ZDUSSCGKSA-N 1 0 240.347 0.772 20 30 BCEDRO C[N@@H+]1CC[C@@H]2[C@@H](CCCN2C(=O)CC#N)C1 ZINC000335280325 355244165 /nfs/dbraw/zinc/24/41/65/355244165.db2.gz MYVFKURPXHPNFJ-WDEREUQCSA-N 1 0 221.304 0.843 20 30 BCEDRO C=CCOCC(=O)N1C[C@H](C)[N@@H+](C)C[C@H]1C ZINC000352008076 134034982 /nfs/dbraw/zinc/03/49/82/134034982.db2.gz ZSJWJWWMMFNUSF-WDEREUQCSA-N 1 0 226.320 0.740 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H]1CCCNC(=O)C1 ZINC000639248241 355278036 /nfs/dbraw/zinc/27/80/36/355278036.db2.gz VMNOIIXRARMYNA-MXWKQRLJSA-N 1 0 224.304 0.588 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1ccncc1C#N ZINC000399100309 355368545 /nfs/dbraw/zinc/36/85/45/355368545.db2.gz FXNGYVFAIPQZES-LBPRGKRZSA-N 1 0 234.303 0.100 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H]1CCCOC1 ZINC000388920459 355339031 /nfs/dbraw/zinc/33/90/31/355339031.db2.gz ANHFEDWPLISUAW-SDDRHHMPSA-N 1 0 238.331 0.529 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@H]1CCCNC(=O)C1 ZINC000639274462 355342519 /nfs/dbraw/zinc/34/25/19/355342519.db2.gz JLHKZIKSOOYGED-SRVKXCTJSA-N 1 0 238.331 0.836 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C[C@H]1COCC[NH2+]1 ZINC000087509571 355353118 /nfs/dbraw/zinc/35/31/18/355353118.db2.gz LXHZZFSMYPWBQM-ZJUUUORDSA-N 1 0 225.292 0.125 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CC[C@@H](C)[C@H](OC)C1 ZINC000491623436 491079340 /nfs/dbraw/zinc/07/93/40/491079340.db2.gz FZRISZKRRLSXMD-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC2(CCO2)CC1 ZINC000367100338 355423405 /nfs/dbraw/zinc/42/34/05/355423405.db2.gz OTNQTNDZSROLHB-UHFFFAOYSA-N 1 0 224.304 0.544 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@H](C)C1CC1 ZINC000491068016 491079100 /nfs/dbraw/zinc/07/91/00/491079100.db2.gz MAZCEMGZSUDUSV-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CCC[N@H+](C)CC1 ZINC000335813412 355501377 /nfs/dbraw/zinc/50/13/77/355501377.db2.gz XIDFBHGUSALZAA-JTQLQIEISA-N 1 0 224.308 0.493 20 30 BCEDRO C[NH2+]CCNC(=O)NCC#Cc1ccccc1 ZINC000416939834 191772625 /nfs/dbraw/zinc/77/26/25/191772625.db2.gz DMNYBWPUCDULRG-UHFFFAOYSA-N 1 0 231.299 0.557 20 30 BCEDRO C=CCSCCNC(=O)NC[C@H](C)C[NH3+] ZINC000417340814 191788024 /nfs/dbraw/zinc/78/80/24/191788024.db2.gz KNDHMLHYHCNGSZ-SECBINFHSA-N 1 0 231.365 0.800 20 30 BCEDRO C=CCSCCNC(=O)NCC(C)(C)[NH3+] ZINC000417315447 191788146 /nfs/dbraw/zinc/78/81/46/191788146.db2.gz BRAOZPPIVYPTMG-UHFFFAOYSA-N 1 0 231.365 0.942 20 30 BCEDRO CCN(C[C@@H](C)C#N)C[C@H](O)C[N@H+](C)CC ZINC000381089869 355755188 /nfs/dbraw/zinc/75/51/88/355755188.db2.gz UUQSPNHFJSWAEZ-NWDGAFQWSA-N 1 0 227.352 0.781 20 30 BCEDRO N#CCCC[N@@H+]1CC[C@H]2NC(=O)CC[C@H]2C1 ZINC000160283951 355842979 /nfs/dbraw/zinc/84/29/79/355842979.db2.gz YGQXIVNAAOJRGW-WDEREUQCSA-N 1 0 221.304 0.891 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)Cc1ccccc1O ZINC000109772302 355858260 /nfs/dbraw/zinc/85/82/60/355858260.db2.gz BWRFEPHTYAAZDP-NSHDSACASA-N 1 0 246.310 0.962 20 30 BCEDRO C=CC[C@@H](C)[C@H](C)[NH+](CCO)CCO ZINC000628369570 355875661 /nfs/dbraw/zinc/87/56/61/355875661.db2.gz JITKXVUFGLWSFQ-MNOVXSKESA-N 1 0 201.310 0.874 20 30 BCEDRO CC[NH2+]CCNC(=O)NCc1ccc(C#N)cc1 ZINC000417718712 191915510 /nfs/dbraw/zinc/91/55/10/191915510.db2.gz HOMOWKVZDUXJOT-UHFFFAOYSA-N 1 0 246.314 0.967 20 30 BCEDRO CN(C(=O)NC[C@@H]1CCC[N@@H+]1C)C1CC(O)C1 ZINC000329451895 355922570 /nfs/dbraw/zinc/92/25/70/355922570.db2.gz CULSBARFWFNTJQ-WHXUTIOJSA-N 1 0 241.335 0.450 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccn(C)c1 ZINC000127261570 324757591 /nfs/dbraw/zinc/75/75/91/324757591.db2.gz WQWZKKKLSAGZMJ-UHFFFAOYSA-N 1 0 219.288 0.254 20 30 BCEDRO C=CCOCC(=O)N1CCCC[C@H]1[C@@H](C)[NH3+] ZINC000428124023 191923771 /nfs/dbraw/zinc/92/37/71/191923771.db2.gz XUXJOCKZTTVZKW-MNOVXSKESA-N 1 0 226.320 0.917 20 30 BCEDRO C=C[C@@H](CO)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000331129001 356043576 /nfs/dbraw/zinc/04/35/76/356043576.db2.gz FSQMISWUXVURHV-AXFHLTTASA-N 1 0 226.320 0.522 20 30 BCEDRO CC(C)C[C@@H](C[NH3+])NC(=O)NCCCC#N ZINC000418009528 191952686 /nfs/dbraw/zinc/95/26/86/191952686.db2.gz UVUVOPLKBXDXQK-JTQLQIEISA-N 1 0 226.324 0.963 20 30 BCEDRO C[NH+](C)CCN(C[C@H]1CCCO1)C(=O)CC#N ZINC000331042600 356021766 /nfs/dbraw/zinc/02/17/66/356021766.db2.gz DDWXNRPPDZVQQM-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO N#CCSCCC[N@@H+]1CCc2nn[nH]c2C1 ZINC000351610783 356027501 /nfs/dbraw/zinc/02/75/01/356027501.db2.gz XQXYEPYKPVOXFG-UHFFFAOYSA-N 1 0 237.332 0.810 20 30 BCEDRO C=C(C)CC[N@@H+]1CCC[C@H]1CS(N)(=O)=O ZINC000351883275 356128235 /nfs/dbraw/zinc/12/82/35/356128235.db2.gz VDIABPMHCWGWBY-JTQLQIEISA-N 1 0 232.349 0.706 20 30 BCEDRO C=CCOCC(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000617556832 356114546 /nfs/dbraw/zinc/11/45/46/356114546.db2.gz YVEKRVBAIYKZJW-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO COCC#CCN1CC[C@@H](C)[S@@](=O)CC1 ZINC000617565303 356126405 /nfs/dbraw/zinc/12/64/05/356126405.db2.gz AYPPCNZEGARDFE-ABAIWWIYSA-N 1 0 229.345 0.479 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]([NH3+])CC ZINC000418247720 192002294 /nfs/dbraw/zinc/00/22/94/192002294.db2.gz GVPGTCUMYYALBW-BBBLOLIVSA-N 1 0 227.308 0.366 20 30 BCEDRO C=CC(C)(C)CNC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418247796 192002854 /nfs/dbraw/zinc/00/28/54/192002854.db2.gz HAMOUCMKXHTJNY-SNVBAGLBSA-N 1 0 241.335 0.568 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H](C)[NH2+]CC ZINC000418242799 192003849 /nfs/dbraw/zinc/00/38/49/192003849.db2.gz BGLCQINKNJJGCR-MXWKQRLJSA-N 1 0 241.335 0.627 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@@H]([NH3+])C(C)C ZINC000418245765 192005014 /nfs/dbraw/zinc/00/50/14/192005014.db2.gz FBNSSNPXNKYYPU-MXWKQRLJSA-N 1 0 241.335 0.612 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)NCC[NH2+]CC ZINC000418249996 192007188 /nfs/dbraw/zinc/00/71/88/192007188.db2.gz KUKDQSDZNLFPFL-MNOVXSKESA-N 1 0 241.335 0.629 20 30 BCEDRO C=C(CC)CNC(=O)N1CC[C@H]([NH2+]C)C1 ZINC000418264863 192009552 /nfs/dbraw/zinc/00/95/52/192009552.db2.gz MVXKIVOKVHMQSC-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)N1CC[C@](C)(O)C1 ZINC000330047721 356163262 /nfs/dbraw/zinc/16/32/62/356163262.db2.gz HVTFTNHSWIRTKY-PWSUYJOCSA-N 1 0 241.335 0.451 20 30 BCEDRO C=C(C)CNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418308082 192020996 /nfs/dbraw/zinc/02/09/96/192020996.db2.gz BKUGMTJIKFJTJT-JTQLQIEISA-N 1 0 211.309 0.861 20 30 BCEDRO CN(CC#N)C(=O)[C@@H]1CCC[N@@H+]1C1CC1 ZINC000336107477 134083049 /nfs/dbraw/zinc/08/30/49/134083049.db2.gz UVVDJAKCMGAFPH-JTQLQIEISA-N 1 0 207.277 0.595 20 30 BCEDRO CC#CCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418319988 192023775 /nfs/dbraw/zinc/02/37/75/192023775.db2.gz POGZEQVAYDBXFS-SNVBAGLBSA-N 1 0 209.293 0.309 20 30 BCEDRO N#CCCCN1CCO[C@H](C(=O)C2CC2)C1 ZINC000331364057 356198273 /nfs/dbraw/zinc/19/82/73/356198273.db2.gz AYNCNCFPRIQVCC-NSHDSACASA-N 1 0 222.288 0.970 20 30 BCEDRO CC[C@H](O)C[NH+]1CCN(CC2(C#N)CC2)CC1 ZINC000331364580 356198815 /nfs/dbraw/zinc/19/88/15/356198815.db2.gz BNCSWZJBRQDZGJ-LBPRGKRZSA-N 1 0 237.347 0.679 20 30 BCEDRO CN(CC[NH3+])c1c(C#N)cccc1C#N ZINC000420277202 192198383 /nfs/dbraw/zinc/19/83/83/192198383.db2.gz HNBVFFPANJNKCW-UHFFFAOYSA-N 1 0 200.245 0.825 20 30 BCEDRO C=CCN1CC[C@@H](N2CCC[C@@H]2C[NH2+]C)C1=O ZINC000420289722 192201437 /nfs/dbraw/zinc/20/14/37/192201437.db2.gz KWRGVOYXOXLXSC-VXGBXAGGSA-N 1 0 237.347 0.457 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000420347920 192218181 /nfs/dbraw/zinc/21/81/81/192218181.db2.gz IRVKASJACFLBBQ-SDDRHHMPSA-N 1 0 237.347 0.503 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@H]3C[NH2+]C[C@H]3C2)C1=O ZINC000420321465 192228506 /nfs/dbraw/zinc/22/85/06/192228506.db2.gz VHEGFPOMABMFNK-AGIUHOORSA-N 1 0 249.358 0.315 20 30 BCEDRO C#C[C@H](NC(=O)[C@H]1CC[N@H+](C)C1)C(C)C ZINC000395709194 356380808 /nfs/dbraw/zinc/38/08/08/356380808.db2.gz BLCQEUIDUNKWIY-QWRGUYRKSA-N 1 0 208.305 0.712 20 30 BCEDRO C=CCN1CC[C@@H](N[C@@](C)(C[NH3+])C(C)C)C1=O ZINC000420326767 192230283 /nfs/dbraw/zinc/23/02/83/192230283.db2.gz XPUZPBGNFOSDIV-YPMHNXCESA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCN1CC[C@H](N(C)CCC[NH2+]C)C1=O ZINC000420388546 192234603 /nfs/dbraw/zinc/23/46/03/192234603.db2.gz LGCAREUNAPVFJL-NSHDSACASA-N 1 0 225.336 0.315 20 30 BCEDRO CC1(C)CC[N@H+](CC(=O)NCC#N)CCS1 ZINC000336149123 134103587 /nfs/dbraw/zinc/10/35/87/134103587.db2.gz CBIPLZNHCQPLJQ-UHFFFAOYSA-N 1 0 241.360 0.844 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H](C)C[C@H]1C[NH3+] ZINC000420425648 192244285 /nfs/dbraw/zinc/24/42/85/192244285.db2.gz SPCVXZQPGZCWEZ-QWRGUYRKSA-N 1 0 246.376 0.952 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H](C)[C@@H](C[NH3+])C1 ZINC000420471074 192244527 /nfs/dbraw/zinc/24/45/27/192244527.db2.gz AETASCPILWZMRE-MNOVXSKESA-N 1 0 246.376 0.809 20 30 BCEDRO CC[N@@H+](CC(=O)NC1(C#N)CCC1)C[C@@H](C)O ZINC000352220087 134109272 /nfs/dbraw/zinc/10/92/72/134109272.db2.gz GZRDEDMUFVFQDK-SNVBAGLBSA-N 1 0 239.319 0.252 20 30 BCEDRO C[C@@H](NC(=O)CC#N)C1CC[NH+](C)CC1 ZINC000396444128 356477107 /nfs/dbraw/zinc/47/71/07/356477107.db2.gz AUIPKGHHIUALGO-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H](O)CC1(O)CCOCC1 ZINC000639594942 356513789 /nfs/dbraw/zinc/51/37/89/356513789.db2.gz BZAYSEIYHFSPGP-NSHDSACASA-N 1 0 229.320 0.397 20 30 BCEDRO C=C(CC)C[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000578127939 366288638 /nfs/dbraw/zinc/28/86/38/366288638.db2.gz WHSFSPNSKZMUNK-GFCCVEGCSA-N 1 0 225.336 0.749 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@@H]2CCC[C@@]2([NH3+])C1 ZINC000622012941 370663397 /nfs/dbraw/zinc/66/33/97/370663397.db2.gz IHMXIHITQDUBHY-WDEREUQCSA-N 1 0 244.360 0.706 20 30 BCEDRO C[N@H+](C[C@H](O)CN1CC(C)(C#N)C1)C1CC1 ZINC000333834391 134139226 /nfs/dbraw/zinc/13/92/26/134139226.db2.gz MBOLBDVSXMSIEV-NSHDSACASA-N 1 0 223.320 0.287 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1ccnn1C ZINC000639663286 356577529 /nfs/dbraw/zinc/57/75/29/356577529.db2.gz BLWVJZLJLZBHDK-NEPJUHHUSA-N 1 0 221.304 0.896 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H]1CC[C@H](C)[NH2+]C1 ZINC000627204961 363501205 /nfs/dbraw/zinc/50/12/05/363501205.db2.gz JPCPROJBEYSOPG-HBNTYKKESA-N 1 0 241.335 0.363 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1CC[C@@H](C)[NH2+]C1 ZINC000627207150 363503560 /nfs/dbraw/zinc/50/35/60/363503560.db2.gz PADWXNMXLJMCEJ-GHMZBOCLSA-N 1 0 223.320 0.792 20 30 BCEDRO C=CCN(CC=C)C(=O)NCCOCCC[NH3+] ZINC000627208319 363504177 /nfs/dbraw/zinc/50/41/77/363504177.db2.gz IAEIYGRRZISNKH-UHFFFAOYSA-N 1 0 241.335 0.735 20 30 BCEDRO C=CCN(C(=O)NCCOCCC[NH3+])C1CC1 ZINC000627216356 363514152 /nfs/dbraw/zinc/51/41/52/363514152.db2.gz QWOLLXIYEDNAOK-UHFFFAOYSA-N 1 0 241.335 0.712 20 30 BCEDRO C=CC[C@H](C)[NH2+][C@@H]1CCN[C@H]1C(=O)OCC ZINC000422984855 192518161 /nfs/dbraw/zinc/51/81/61/192518161.db2.gz ZKWCFXXZDHIXQB-HBNTYKKESA-N 1 0 226.320 0.834 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CCN(C(=O)CC#N)[C@@H]2C1 ZINC000336318941 134143318 /nfs/dbraw/zinc/14/33/18/134143318.db2.gz AHDMXCQFPIFQTO-NXEZZACHSA-N 1 0 207.277 0.453 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639714910 356616777 /nfs/dbraw/zinc/61/67/77/356616777.db2.gz BVDHZBYWJSPTGI-QMMMGPOBSA-N 1 0 221.260 0.863 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639714909 356616784 /nfs/dbraw/zinc/61/67/84/356616784.db2.gz BVDHZBYWJSPTGI-MRVPVSSYSA-N 1 0 221.260 0.863 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000639714854 356616813 /nfs/dbraw/zinc/61/68/13/356616813.db2.gz WYMUCDZMJKVDQI-VIFPVBQESA-N 1 0 233.271 0.700 20 30 BCEDRO C[N@@H+]1CC[C@H]2CCN(C(=O)CC#N)[C@H]2C1 ZINC000336318945 134143118 /nfs/dbraw/zinc/14/31/18/134143118.db2.gz AHDMXCQFPIFQTO-UWVGGRQHSA-N 1 0 207.277 0.453 20 30 BCEDRO CNC(=O)CC[NH+]1CCC(F)(C#N)CC1 ZINC000352468272 134146132 /nfs/dbraw/zinc/14/61/32/134146132.db2.gz QCTIQFSUEKYYFS-UHFFFAOYSA-N 1 0 213.256 0.450 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(OC)CC1 ZINC000053897349 363555944 /nfs/dbraw/zinc/55/59/44/363555944.db2.gz AQIWHURMSCHIDN-UHFFFAOYSA-N 1 0 212.293 0.399 20 30 BCEDRO Cn1cc(CCC[NH+]2CCN(CC#N)CC2)cn1 ZINC000384492190 356663710 /nfs/dbraw/zinc/66/37/10/356663710.db2.gz ICEVKPQNQULGQK-UHFFFAOYSA-N 1 0 247.346 0.494 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(OC)CC1 ZINC000053897987 363556902 /nfs/dbraw/zinc/55/69/02/363556902.db2.gz NACZSAOVIYWLQD-JTQLQIEISA-N 1 0 226.320 0.788 20 30 BCEDRO N#Cc1cccnc1N1C[C@@H]2C[NH2+]C[C@H]2C1 ZINC000088287392 356655617 /nfs/dbraw/zinc/65/56/17/356655617.db2.gz MKBMHRBJNXATAL-QWRGUYRKSA-N 1 0 214.272 0.609 20 30 BCEDRO C=CCN1CC[C@H]([NH+]2CCC(C)(O)CC2)C1=O ZINC000336613756 134151577 /nfs/dbraw/zinc/15/15/77/134151577.db2.gz LFKSTXPPMLSAPH-NSHDSACASA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCCC[N@@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000352769785 134151909 /nfs/dbraw/zinc/15/19/09/134151909.db2.gz KKEJSZFJPAGTOT-SECBINFHSA-N 1 0 223.276 0.189 20 30 BCEDRO N#CCc1cccc(C(=O)N2CC[C@@H]([NH3+])C2)c1 ZINC000578139481 366318468 /nfs/dbraw/zinc/31/84/68/366318468.db2.gz OUVTXGXRWDGETO-GFCCVEGCSA-N 1 0 229.283 0.926 20 30 BCEDRO C=CCC[NH+]1CCC([C@H](O)C(=O)OC)CC1 ZINC000353056149 134159629 /nfs/dbraw/zinc/15/96/29/134159629.db2.gz IXKPJCRQUSWPOD-NSHDSACASA-N 1 0 227.304 0.808 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@@H]1C(N)=O ZINC000305085264 134159853 /nfs/dbraw/zinc/15/98/53/134159853.db2.gz NTMDFJYMNVROMI-VHSXEESVSA-N 1 0 212.293 0.263 20 30 BCEDRO C[NH+](C)C[C@@H]1CN(CC2(C#N)CCC2)CCO1 ZINC000450383260 202146023 /nfs/dbraw/zinc/14/60/23/202146023.db2.gz ZJWIPUALIXKOQA-GFCCVEGCSA-N 1 0 237.347 0.943 20 30 BCEDRO C=CCNC(=O)CN1CC[C@H](C[NH+](C)C)C1 ZINC000113513925 134161422 /nfs/dbraw/zinc/16/14/22/134161422.db2.gz YIEPPZCFLYJPGA-LLVKDONJSA-N 1 0 225.336 0.172 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)N1C[C@@H](C)[C@@H]([NH+](C)C)C1 ZINC000124056363 358512509 /nfs/dbraw/zinc/51/25/09/358512509.db2.gz GSUPLHRBDQGVTE-UTLUCORTSA-N 1 0 245.348 0.110 20 30 BCEDRO C[C@@H](C#N)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000384904283 356794886 /nfs/dbraw/zinc/79/48/86/356794886.db2.gz NWAFTVPEEWPWFX-AXTSPUMRSA-N 1 0 207.277 0.164 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[N@@H+](C)[C@H](C)[C@@H]1C ZINC000355508229 134173563 /nfs/dbraw/zinc/17/35/63/134173563.db2.gz KBJPANLWRKIVOX-MDZLAQPJSA-N 1 0 240.347 0.865 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000362072727 356941591 /nfs/dbraw/zinc/94/15/91/356941591.db2.gz PVPSJZKDLOWYSQ-GFCCVEGCSA-N 1 0 237.347 0.993 20 30 BCEDRO C=CCNC(=O)CN1CCOC(C)(C)[C@H]1C ZINC000357320932 134182780 /nfs/dbraw/zinc/18/27/80/134182780.db2.gz YBPALUVERKSMCY-SNVBAGLBSA-N 1 0 226.320 0.788 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)N1CCN(C)C[C@@H]1C[NH3+] ZINC000582367210 357108345 /nfs/dbraw/zinc/10/83/45/357108345.db2.gz RWTZFVBVWNSVLT-NEPJUHHUSA-N 1 0 239.363 0.690 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@H]1Nc1cnc(C#N)cn1 ZINC000389730098 357090800 /nfs/dbraw/zinc/09/08/00/357090800.db2.gz OWABBNYBWOGKNY-PSASIEDQSA-N 1 0 217.276 0.758 20 30 BCEDRO C[C@H]1CCNC(=O)[C@@H]1[NH2+]CCCCC#N ZINC000193646031 357262109 /nfs/dbraw/zinc/26/21/09/357262109.db2.gz PQOSKFLHVBXTDX-VHSXEESVSA-N 1 0 209.293 0.794 20 30 BCEDRO CC[NH+](CC)CCOCCNC(=O)[C@@H](C)C#N ZINC000544587047 325150592 /nfs/dbraw/zinc/15/05/92/325150592.db2.gz XPRRCOPNIIHFQR-NSHDSACASA-N 1 0 241.335 0.621 20 30 BCEDRO CCC[C@H](C#N)NC(=O)[C@H]1CN(C)CCO1 ZINC000610257909 357388738 /nfs/dbraw/zinc/38/87/38/357388738.db2.gz GYFFUBMTPIRWNJ-NXEZZACHSA-N 1 0 225.292 0.125 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+][C@H]1CCSC1 ZINC000582840743 357412979 /nfs/dbraw/zinc/41/29/79/357412979.db2.gz JBZHCDHGXIXFNZ-QWRGUYRKSA-N 1 0 243.376 0.288 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000387186935 357499623 /nfs/dbraw/zinc/49/96/23/357499623.db2.gz FRJRNNBCLDJJJO-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(CC#N)CC1 ZINC000397134320 357504956 /nfs/dbraw/zinc/50/49/56/357504956.db2.gz XSWFCTJUUOBDBV-UHFFFAOYSA-N 1 0 221.304 0.914 20 30 BCEDRO CC[C@@H](C(N)=O)[NH+]1CCC(CC#N)CC1 ZINC000397181005 357508137 /nfs/dbraw/zinc/50/81/37/357508137.db2.gz HVBIJEQLTGGXPO-JTQLQIEISA-N 1 0 209.293 0.876 20 30 BCEDRO C=CCNC(=O)CN1CC[C@@H]2CC[N@@H+](C)C[C@H]21 ZINC000361111940 134203377 /nfs/dbraw/zinc/20/33/77/134203377.db2.gz ZIYDWKRLGMFSMY-NWDGAFQWSA-N 1 0 237.347 0.315 20 30 BCEDRO N#CCSCC(=O)N1CC[NH+]2CCC1CC2 ZINC000188654671 357571016 /nfs/dbraw/zinc/57/10/16/357571016.db2.gz TTXPPZKFRSCIIV-UHFFFAOYSA-N 1 0 239.344 0.550 20 30 BCEDRO C#CC[N@@H+]1[C@H](C(N)=O)C[C@@H]2CCCC[C@@H]21 ZINC000361503904 134205927 /nfs/dbraw/zinc/20/59/27/134205927.db2.gz QVQBRTUVILSFCU-DCAQKATOSA-N 1 0 206.289 0.738 20 30 BCEDRO C[C@@H](O)C[N@H+](C)[C@H](C)C(=O)NC1(C#N)CCC1 ZINC000361505388 134205951 /nfs/dbraw/zinc/20/59/51/134205951.db2.gz OCNJAHIZVATKMO-NXEZZACHSA-N 1 0 239.319 0.250 20 30 BCEDRO COc1c[nH+]ccc1N1CCN(CC#N)CC1 ZINC000361520103 134206203 /nfs/dbraw/zinc/20/62/03/134206203.db2.gz RRRIAIIMZQUDPV-UHFFFAOYSA-N 1 0 232.287 0.736 20 30 BCEDRO C=CC[N@@H+](CCCN1CCOCC1)CCOC ZINC000189423346 357641291 /nfs/dbraw/zinc/64/12/91/357641291.db2.gz XNVJIZVFUSRXQS-UHFFFAOYSA-N 1 0 242.363 0.843 20 30 BCEDRO CCCN(CC#N)C(=O)[C@H]1C[N@H+](C)C[C@@H]1C ZINC000362584237 134211797 /nfs/dbraw/zinc/21/17/97/134211797.db2.gz SFASDHWUSGCVJN-QWRGUYRKSA-N 1 0 223.320 0.946 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](Cc2cnn(C)c2)C1 ZINC000363307898 134215346 /nfs/dbraw/zinc/21/53/46/134215346.db2.gz WXKPJMUAPYKKAI-NSHDSACASA-N 1 0 203.289 0.918 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H](C#N)CCC#N)C[C@H]1CO ZINC000190855870 357728003 /nfs/dbraw/zinc/72/80/03/357728003.db2.gz FPUAYTCQANULEY-WOPDTQHZSA-N 1 0 221.304 0.990 20 30 BCEDRO C[N@@H+]1CC[C@@H](Cn2cnc(C#N)c2C#N)C1 ZINC000191215883 357758209 /nfs/dbraw/zinc/75/82/09/357758209.db2.gz SSFYXPLMILCDOR-SECBINFHSA-N 1 0 215.260 0.578 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CC[C@]2(CNC(=O)C2)C1 ZINC000369406238 134222266 /nfs/dbraw/zinc/22/22/66/134222266.db2.gz IYNUERSUBLGKKK-YPMHNXCESA-N 1 0 238.331 0.526 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000369285619 134222565 /nfs/dbraw/zinc/22/25/65/134222565.db2.gz QFCGBOBQOCQCQE-NEPJUHHUSA-N 1 0 235.331 0.936 20 30 BCEDRO CC#CCNC(=O)N1CC[C@@H]2CC[N@H+](C)[C@@H]2C1 ZINC000369850337 134223349 /nfs/dbraw/zinc/22/33/49/134223349.db2.gz FZYRNNIJASZPTR-NWDGAFQWSA-N 1 0 235.331 0.745 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@@H]1CCC[C@H]1[NH+](C)C ZINC000613657648 363590895 /nfs/dbraw/zinc/59/08/95/363590895.db2.gz GFGVPKLGQCBIPQ-FOGDFJRCSA-N 1 0 226.320 0.522 20 30 BCEDRO COC[C@@H](C)OC[C@@H](O)CN(C)CCC#N ZINC000234744120 357834220 /nfs/dbraw/zinc/83/42/20/357834220.db2.gz PUULUQSJBJXBCV-MNOVXSKESA-N 1 0 230.308 0.244 20 30 BCEDRO C[C@@H]1CC(=O)NCC[N@@H+]1CCCSCC#N ZINC000371204957 134227362 /nfs/dbraw/zinc/22/73/62/134227362.db2.gz LRTYTMFPZBVOLE-SNVBAGLBSA-N 1 0 241.360 0.844 20 30 BCEDRO C#CCC[N@H+]1CC[C@]2(C1)NC(=O)N(C(C)C)C2=O ZINC000371204837 134227738 /nfs/dbraw/zinc/22/77/38/134227738.db2.gz KMQDZMWHLRXKMW-CYBMUJFWSA-N 1 0 249.314 0.414 20 30 BCEDRO CC#CCN1CC[C@@H](S(=O)(=O)NC2CC2)C1 ZINC000120860033 134230596 /nfs/dbraw/zinc/23/05/96/134230596.db2.gz KCXILOBWLXCPCB-LLVKDONJSA-N 1 0 242.344 0.166 20 30 BCEDRO C=C(CC)C[NH+]1C[C@]2(C)C(=O)NC(=O)[C@@]2(C)C1 ZINC000639948365 357971917 /nfs/dbraw/zinc/97/19/17/357971917.db2.gz GYRNYUXICMAZRQ-CHWSQXEVSA-N 1 0 236.315 0.937 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000639997921 358034665 /nfs/dbraw/zinc/03/46/65/358034665.db2.gz AHKSQTKMWWVREE-XQQFMLRXSA-N 1 0 243.347 0.785 20 30 BCEDRO COCC#CC[N@@H+]1C[C@H](OC)C[C@@]1(C)CO ZINC000639999519 358036137 /nfs/dbraw/zinc/03/61/37/358036137.db2.gz KHSNQPUVNOZAOL-NEPJUHHUSA-N 1 0 227.304 0.108 20 30 BCEDRO CC1(C[NH+]2CCOCC2)CCN(CC#N)CC1 ZINC000378272613 134245826 /nfs/dbraw/zinc/24/58/26/134245826.db2.gz NQVYKUZLNQQZDD-UHFFFAOYSA-N 1 0 237.347 0.944 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCc1cccnn1 ZINC000278309125 535385101 /nfs/dbraw/zinc/38/51/01/535385101.db2.gz RIDJMGMNVGCNMZ-UHFFFAOYSA-N 1 0 221.308 0.927 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)c1 ZINC000639976836 358032657 /nfs/dbraw/zinc/03/26/57/358032657.db2.gz PHOBLDKDDLAITB-GFCCVEGCSA-N 1 0 248.330 0.800 20 30 BCEDRO N#Cc1csc(C[N@H+]2C[C@H](O)C[C@@H]2CO)c1 ZINC000350322739 358053446 /nfs/dbraw/zinc/05/34/46/358053446.db2.gz UUECFIOLZUDSMN-NXEZZACHSA-N 1 0 238.312 0.547 20 30 BCEDRO C[C@@H](C#N)CNC(=O)CCCC[NH+](C)C ZINC000584561017 358056863 /nfs/dbraw/zinc/05/68/63/358056863.db2.gz NAXIAOHDTARHSL-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO CC[N@@H+]1C[C@@H](C)[C@H](NC(=O)c2cc(C#N)c[nH]2)C1 ZINC000610671107 358057710 /nfs/dbraw/zinc/05/77/10/358057710.db2.gz RXKWLJIPNDQSHJ-BXKDBHETSA-N 1 0 246.314 0.956 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1nncn1CC ZINC000261987759 535390046 /nfs/dbraw/zinc/39/00/46/535390046.db2.gz KOXLABVMBMLAJV-UHFFFAOYSA-N 1 0 224.312 0.455 20 30 BCEDRO CCN(CC)C(=[NH2+])NCc1ccnn1C ZINC000261996089 535390176 /nfs/dbraw/zinc/39/01/76/535390176.db2.gz NWXXTCMGANANCS-UHFFFAOYSA-N 1 0 209.297 0.577 20 30 BCEDRO C[C@H]1CN(C)C[C@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000610677421 358066082 /nfs/dbraw/zinc/06/60/82/358066082.db2.gz FHTAWKSCBXFBMR-WCQYABFASA-N 1 0 236.363 0.514 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@@H](O)COCC ZINC000583872176 358081370 /nfs/dbraw/zinc/08/13/70/358081370.db2.gz RRBJTMKMKIEATE-GHMZBOCLSA-N 1 0 217.309 0.158 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H](O)COCC ZINC000583872177 358081594 /nfs/dbraw/zinc/08/15/94/358081594.db2.gz RRBJTMKMKIEATE-MNOVXSKESA-N 1 0 217.309 0.158 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000218414291 134254503 /nfs/dbraw/zinc/25/45/03/134254503.db2.gz ZGOWJQUMLVECOO-MXWKQRLJSA-N 1 0 221.304 0.889 20 30 BCEDRO CC[C@@H](O)C[NH+]1CCN([C@@H](C#N)C(C)C)CC1 ZINC000610762203 358146543 /nfs/dbraw/zinc/14/65/43/358146543.db2.gz CBUJWKSLXWEFFW-OLZOCXBDSA-N 1 0 239.363 0.923 20 30 BCEDRO C[C@@H](c1ccccc1)[C@H](O)C[NH2+]CC#CCO ZINC000584839559 358198683 /nfs/dbraw/zinc/19/86/83/358198683.db2.gz QWAKPFRJDQRPPN-GXTWGEPZSA-N 1 0 233.311 0.736 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](O)c1ccc(OC)cc1 ZINC000264129185 535423149 /nfs/dbraw/zinc/42/31/49/535423149.db2.gz XIWIBOWIISJKTO-LLVKDONJSA-N 1 0 237.303 0.653 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](O)c1ccc(F)cc1 ZINC000264068700 535423351 /nfs/dbraw/zinc/42/33/51/535423351.db2.gz CIIXERCCSVXAOO-SNVBAGLBSA-N 1 0 225.267 0.783 20 30 BCEDRO CCNC(=[NH2+])N[C@@H]1C[C@@H](OCC)[C@@]12CCCO2 ZINC000262402070 535424182 /nfs/dbraw/zinc/42/41/82/535424182.db2.gz VFTRZYPBHCBYJK-CKYFFXLPSA-N 1 0 241.335 0.637 20 30 BCEDRO CC[NH+]1CCC(CNC(=O)[C@H](C)C#N)CC1 ZINC000044828057 358394497 /nfs/dbraw/zinc/39/44/97/358394497.db2.gz BSSKZJYTLZIASX-SNVBAGLBSA-N 1 0 223.320 0.994 20 30 BCEDRO CC[NH+]1CCC(CNC(=O)[C@@H](C)C#N)CC1 ZINC000044828056 358394829 /nfs/dbraw/zinc/39/48/29/358394829.db2.gz BSSKZJYTLZIASX-JTQLQIEISA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H](O)C(C)(C)C1 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ZINC000451137674 202362120 /nfs/dbraw/zinc/36/21/20/202362120.db2.gz JGNRCMCHQLRTBK-STQMWFEESA-N 1 0 240.347 0.594 20 30 BCEDRO N#CCCN1CCC[C@@H]1C[N@H+]1CCC[C@@H]1CO ZINC000085858881 359860329 /nfs/dbraw/zinc/86/03/29/359860329.db2.gz SLBHFTMZNYMKOR-CHWSQXEVSA-N 1 0 237.347 0.821 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000613967811 363692771 /nfs/dbraw/zinc/69/27/71/363692771.db2.gz KNHFSSQABNFFPJ-GHMZBOCLSA-N 1 0 226.320 0.332 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)N1CC[C@H](F)C1 ZINC000451185352 202374072 /nfs/dbraw/zinc/37/40/72/202374072.db2.gz LOCCXEYSJTWEAZ-IUCAKERBSA-N 1 0 243.282 0.431 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[C@H]([NH+](C)C)CC1 ZINC000614012232 363700514 /nfs/dbraw/zinc/70/05/14/363700514.db2.gz XMGBAOJGYKGFGQ-AAEUAGOBSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCOCCC[N@H+]1CCOC[C@H](O)C1 ZINC000451238368 202383037 /nfs/dbraw/zinc/38/30/37/202383037.db2.gz YOBOQCLONRYUNX-LLVKDONJSA-N 1 0 215.293 0.272 20 30 BCEDRO COc1ccc(-n2cc(CNC(N)=[NH2+])nn2)cc1 ZINC000086999344 359893273 /nfs/dbraw/zinc/89/32/73/359893273.db2.gz HKQPNJCLNHRHTA-UHFFFAOYSA-N 1 0 246.274 0.049 20 30 BCEDRO C=CCOCCC[N@H+]1CCOC[C@@H](O)C1 ZINC000451238371 202384484 /nfs/dbraw/zinc/38/44/84/202384484.db2.gz YOBOQCLONRYUNX-NSHDSACASA-N 1 0 215.293 0.272 20 30 BCEDRO COC(=O)CN(CC#N)CC[C@H]1CCC[N@@H+]1C ZINC000089614908 360031601 /nfs/dbraw/zinc/03/16/01/360031601.db2.gz BCEYNUAONIYLBL-LLVKDONJSA-N 1 0 239.319 0.469 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)C(F)(F)F ZINC000451611038 202448313 /nfs/dbraw/zinc/44/83/13/202448313.db2.gz VXLWRHPYUHWZMB-GJMOJQLCSA-N 1 0 225.210 0.843 20 30 BCEDRO C=CCOc1ccccc1C[NH2+]C[C@@H](O)CO ZINC000090282480 360068068 /nfs/dbraw/zinc/06/80/68/360068068.db2.gz QIVVLDSJUGMBJI-GFCCVEGCSA-N 1 0 237.299 0.694 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@H]2CC[C@@H](C1)[N@@H+]2C ZINC000092005200 360144410 /nfs/dbraw/zinc/14/44/10/360144410.db2.gz SNEBFPXHLULMCU-MXWKQRLJSA-N 1 0 221.304 0.841 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCN(CC)[C@H](C)C1 ZINC000612950957 360205290 /nfs/dbraw/zinc/20/52/90/360205290.db2.gz ABGSJYYJWURKCQ-ZJUUUORDSA-N 1 0 212.293 0.086 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@H+](C)CC(C)(C)O ZINC000092966490 360207236 /nfs/dbraw/zinc/20/72/36/360207236.db2.gz NPOCMNYHFNJGOP-UHFFFAOYSA-N 1 0 241.335 0.451 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CCC2(C[NH+](C)C2)C1 ZINC000614033732 363710194 /nfs/dbraw/zinc/71/01/94/363710194.db2.gz AHSDMHDXGXEQAX-GFCCVEGCSA-N 1 0 238.331 0.478 20 30 BCEDRO C[NH+](C)CCn1cc(NC(=O)CC#N)cn1 ZINC000613082298 360343241 /nfs/dbraw/zinc/34/32/41/360343241.db2.gz HZXCMQUDHMSTPI-UHFFFAOYSA-N 1 0 221.264 0.297 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000613149029 360448519 /nfs/dbraw/zinc/44/85/19/360448519.db2.gz OTEUKPUENIHHJA-VWYCJHECSA-N 1 0 226.320 0.474 20 30 BCEDRO C[C@H](C[NH+](C)C)Nc1cnc(C#N)cn1 ZINC000130430520 360417627 /nfs/dbraw/zinc/41/76/27/360417627.db2.gz XBWNKVUVSMAYAW-MRVPVSSYSA-N 1 0 205.265 0.710 20 30 BCEDRO CC#CCCNC(=O)NC[C@H]1CCC[NH2+]C1 ZINC000418024381 200825992 /nfs/dbraw/zinc/82/59/92/200825992.db2.gz DJHCOQQKLMGYFH-NSHDSACASA-N 1 0 223.320 0.699 20 30 BCEDRO C=CCC1(C(=O)N[C@@H](C)C[NH3+])CCOCC1 ZINC000424154111 200868152 /nfs/dbraw/zinc/86/81/52/200868152.db2.gz JDCMSCUGDOMBIY-JTQLQIEISA-N 1 0 226.320 0.823 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CCC[C@H]1C[NH3+] ZINC000424080927 200857277 /nfs/dbraw/zinc/85/72/77/200857277.db2.gz UJMGJPPFKUXTGI-TUAOUCFPSA-N 1 0 238.331 0.917 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)C(C)(C)C[NH3+] ZINC000424213417 200890838 /nfs/dbraw/zinc/89/08/38/200890838.db2.gz ULAWAEVGYODHLR-UWVGGRQHSA-N 1 0 226.320 0.679 20 30 BCEDRO C[C@@H]([NH3+])CCC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424214490 200891322 /nfs/dbraw/zinc/89/13/22/200891322.db2.gz CQPOAPMUGDZKPR-KXUCPTDWSA-N 1 0 209.293 0.922 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCCC[NH3+] ZINC000424473026 200928396 /nfs/dbraw/zinc/92/83/96/200928396.db2.gz GPCIZZFAJNPKPR-UWVGGRQHSA-N 1 0 227.308 0.226 20 30 BCEDRO C[C@@H](F)CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000579103476 366710435 /nfs/dbraw/zinc/71/04/35/366710435.db2.gz NEXSLGWZLPMBEU-GHMZBOCLSA-N 1 0 231.315 0.530 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@H]1CCC=CO1 ZINC000194548870 361326576 /nfs/dbraw/zinc/32/65/76/361326576.db2.gz ZWOZZWFSTHMPHV-SNVBAGLBSA-N 1 0 210.277 0.571 20 30 BCEDRO C=CCOCC(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000428903047 201048282 /nfs/dbraw/zinc/04/82/82/201048282.db2.gz YCRACJKWPKTBDI-JTQLQIEISA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCN(CCC#N)C[C@@H](O)C[N@@H+](C)C1CC1 ZINC000428864113 201046084 /nfs/dbraw/zinc/04/60/84/201046084.db2.gz BKXOTIHVKICTAZ-ZDUSSCGKSA-N 1 0 237.347 0.843 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H](C)[C@H]1C[NH3+] ZINC000429127053 201069894 /nfs/dbraw/zinc/06/98/94/201069894.db2.gz JNMUZVIKDGPLAJ-GHMZBOCLSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCOCC(=O)NCC12CCC[NH+]1CCC2 ZINC000614228106 363764844 /nfs/dbraw/zinc/76/48/44/363764844.db2.gz KLBQLTSVVSTJJB-UHFFFAOYSA-N 1 0 238.331 0.934 20 30 BCEDRO C=CCOCC(=O)N(CCC)[C@@H]1CC[NH2+]C1 ZINC000429108466 201068082 /nfs/dbraw/zinc/06/80/82/201068082.db2.gz VLERPZUQWMTIAJ-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[N@@H+](C)C[C@@H]1CC ZINC000614340548 363788348 /nfs/dbraw/zinc/78/83/48/363788348.db2.gz KYSGPLNPAKPJTB-QWRGUYRKSA-N 1 0 226.320 0.476 20 30 BCEDRO C[C@H]1COCC[N@@H+]1C1CCN(CC#N)CC1 ZINC000579310776 366756887 /nfs/dbraw/zinc/75/68/87/366756887.db2.gz WHYVHKYBQKNAKH-NSHDSACASA-N 1 0 223.320 0.695 20 30 BCEDRO N#CCNC(=O)C[NH2+][C@@H]1Cc2cccc(O)c2C1 ZINC000429298215 201098418 /nfs/dbraw/zinc/09/84/18/201098418.db2.gz DUCPRLJTRJVOSG-SNVBAGLBSA-N 1 0 245.282 0.089 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]Cc1ccccc1 ZINC000579447573 366802682 /nfs/dbraw/zinc/80/26/82/366802682.db2.gz UIXGIHKGOKJILP-AWEZNQCLSA-N 1 0 247.342 0.983 20 30 BCEDRO C=CC[C@H]1CC[N@H+](C[C@@H]2CNCCO2)C1 ZINC000629551836 361444195 /nfs/dbraw/zinc/44/41/95/361444195.db2.gz XIDVJPXNCDCKJY-RYUDHWBXSA-N 1 0 210.321 0.873 20 30 BCEDRO C[N@H+](CCN1CCOCC1)[C@@H]1CC[C@@H](C#N)C1 ZINC000448524347 201161349 /nfs/dbraw/zinc/16/13/49/201161349.db2.gz HFKUZNPWYGZEPJ-CHWSQXEVSA-N 1 0 237.347 0.943 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@@H](O)C[NH+]1CCCCC1 ZINC000434456834 201218947 /nfs/dbraw/zinc/21/89/47/201218947.db2.gz PBGRJWRWVJRMKT-GHMZBOCLSA-N 1 0 239.319 0.109 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[NH+](CC)CC ZINC000435420735 201269858 /nfs/dbraw/zinc/26/98/58/201269858.db2.gz FSLBOKCLZVXECV-UHFFFAOYSA-N 1 0 234.365 0.824 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]Cc1cn(C)nn1 ZINC000435735460 201285244 /nfs/dbraw/zinc/28/52/44/201285244.db2.gz NBHIFOIIHLJHTJ-PWSUYJOCSA-N 1 0 236.319 0.886 20 30 BCEDRO C=CCC[NH2+]Cc1cn(C[C@H]2CCOC2)nn1 ZINC000631173267 361706311 /nfs/dbraw/zinc/70/63/11/361706311.db2.gz PDMRWXMRFYZHHS-LLVKDONJSA-N 1 0 236.319 0.980 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC2(CCC[N@H+]2C)CC1 ZINC000613232427 361690323 /nfs/dbraw/zinc/69/03/23/361690323.db2.gz PVLSURHKWQVROY-LLVKDONJSA-N 1 0 238.331 0.620 20 30 BCEDRO CC#CCCN1CCO[C@H](C(=O)OC)C1 ZINC000155400288 201331251 /nfs/dbraw/zinc/33/12/51/201331251.db2.gz GQYBLFTUDPITCR-JTQLQIEISA-N 1 0 211.261 0.274 20 30 BCEDRO CC[NH+](CC)C[C@H](C)NC(=O)[C@H](C)C#N ZINC000041680713 361711099 /nfs/dbraw/zinc/71/10/99/361711099.db2.gz ATZURLUATIXAHM-ZJUUUORDSA-N 1 0 211.309 0.993 20 30 BCEDRO N#CCN1CCC([NH+]2CCOCC2)CC1 ZINC000115820754 370696930 /nfs/dbraw/zinc/69/69/30/370696930.db2.gz GKUILAKBBLDHAX-UHFFFAOYSA-N 1 0 209.293 0.307 20 30 BCEDRO C=C[C@@H](C(=O)OC)N1CCc2cc[nH]c(=O)c2C1 ZINC000619722610 363951137 /nfs/dbraw/zinc/95/11/37/363951137.db2.gz YFUORBIIVWSSHU-NSHDSACASA-N 1 0 248.282 0.873 20 30 BCEDRO C=CCCC(=O)NC[C@@H]1CCC[N@H+]1CCCO ZINC000452345757 202577954 /nfs/dbraw/zinc/57/79/54/202577954.db2.gz FRUQOSHGMJCPSE-LBPRGKRZSA-N 1 0 240.347 0.916 20 30 BCEDRO CC1(C)CN(CCC#N)CC[N@@H+]1CCO ZINC000614920152 364091372 /nfs/dbraw/zinc/09/13/72/364091372.db2.gz FKVZQDBHTKKLHQ-UHFFFAOYSA-N 1 0 211.309 0.289 20 30 BCEDRO CC[NH+](CC)CC(=O)N[C@]1(C#N)CCSC1 ZINC000068080719 370743048 /nfs/dbraw/zinc/74/30/48/370743048.db2.gz KJMAWKNRAXZSKR-NSHDSACASA-N 1 0 241.360 0.844 20 30 BCEDRO N#Cc1cncnc1N1CCC[C@H]2C[NH2+]CC[C@@H]21 ZINC000600885317 364237445 /nfs/dbraw/zinc/23/74/45/364237445.db2.gz QESOTADUGDHQMA-JQWIXIFHSA-N 1 0 243.314 0.927 20 30 BCEDRO C=CCNC(=O)Cn1cc([C@H]2CCC[NH2+]C2)nn1 ZINC000630610560 364340879 /nfs/dbraw/zinc/34/08/79/364340879.db2.gz MINCNLVWWJLTKV-JTQLQIEISA-N 1 0 249.318 0.047 20 30 BCEDRO C=CCn1cc([C@@H]([NH3+])C2CCOCC2)nn1 ZINC000630588156 364295416 /nfs/dbraw/zinc/29/54/16/364295416.db2.gz DFLWYGIMRHWSFA-NSHDSACASA-N 1 0 222.292 0.891 20 30 BCEDRO C=CCn1cc(C[C@@H]([NH3+])CCOC)nn1 ZINC000630588882 364297283 /nfs/dbraw/zinc/29/72/83/364297283.db2.gz QNNIRFXOWCFLMR-VIFPVBQESA-N 1 0 210.281 0.370 20 30 BCEDRO C=CCCn1cc(CC[NH2+]CCOC)nn1 ZINC000630590834 364303580 /nfs/dbraw/zinc/30/35/80/364303580.db2.gz OWXMXCQJDOCJBM-UHFFFAOYSA-N 1 0 224.308 0.633 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](COC)C1CC1 ZINC000136616724 364474581 /nfs/dbraw/zinc/47/45/81/364474581.db2.gz ZZTZAXBSHAIIQH-ONGXEEELSA-N 1 0 224.304 0.139 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@H](COC)C1CC1 ZINC000136616828 364474936 /nfs/dbraw/zinc/47/49/36/364474936.db2.gz ZZTZAXBSHAIIQH-MWLCHTKSSA-N 1 0 224.304 0.139 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](COC)C1CC1 ZINC000136672073 364475969 /nfs/dbraw/zinc/47/59/69/364475969.db2.gz YROMWQBOMMXNOS-GXSJLCMTSA-N 1 0 226.320 0.692 20 30 BCEDRO C[C@H]1C[C@@H](O)C[N@@H+]1CCC(=O)N(C)CCC#N ZINC000357014400 366854327 /nfs/dbraw/zinc/85/43/27/366854327.db2.gz XXZUWXSXAXXBIJ-WDEREUQCSA-N 1 0 239.319 0.204 20 30 BCEDRO C[C@@H]1C[N@H+](CCC(=O)N(C)CCC#N)C[C@@H]1O ZINC000356991131 366854799 /nfs/dbraw/zinc/85/47/99/366854799.db2.gz VGTZOXYIEATNID-MNOVXSKESA-N 1 0 239.319 0.061 20 30 BCEDRO C[C@@H](C#N)C(=O)NCC[N@H+]1CC=CCC1 ZINC000357645351 366861666 /nfs/dbraw/zinc/86/16/66/366861666.db2.gz FGALDFUGOTVHPU-JTQLQIEISA-N 1 0 207.277 0.524 20 30 BCEDRO C=CCC[C@H](CO)[NH2+][C@H](CC)Cn1cncn1 ZINC000453360786 202750028 /nfs/dbraw/zinc/75/00/28/202750028.db2.gz PTHYRHFRRMITQZ-VXGBXAGGSA-N 1 0 238.335 0.973 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@@H](CC)C(N)=O ZINC000429721870 541374855 /nfs/dbraw/zinc/37/48/55/541374855.db2.gz OLQZURDVYOUFJZ-NSHDSACASA-N 1 0 227.352 0.690 20 30 BCEDRO C=CC[N@@H+](C)CCN(CC)[C@H](CC)C(N)=O ZINC000429721868 541374954 /nfs/dbraw/zinc/37/49/54/541374954.db2.gz OLQZURDVYOUFJZ-LLVKDONJSA-N 1 0 227.352 0.690 20 30 BCEDRO C=C[C@@H](O)C(=O)NCCCCC[NH+]1CCCC1 ZINC000615359104 364727119 /nfs/dbraw/zinc/72/71/19/364727119.db2.gz YZZOSFVVUIFYCF-GFCCVEGCSA-N 1 0 240.347 0.916 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cnccn1 ZINC000292852451 364774265 /nfs/dbraw/zinc/77/42/65/364774265.db2.gz RKVOOIFPDNOXLS-UHFFFAOYSA-N 1 0 204.277 0.844 20 30 BCEDRO CC(C)OC[C@H](O)C[NH2+]CC1(C#N)CC1 ZINC000573558047 364860325 /nfs/dbraw/zinc/86/03/25/364860325.db2.gz NUVLDTPDYMYXSX-SNVBAGLBSA-N 1 0 212.293 0.666 20 30 BCEDRO CN(CCC#N)C[C@@H](O)C[NH2+]CC1(C)CC1 ZINC000573438033 364832440 /nfs/dbraw/zinc/83/24/40/364832440.db2.gz WHWBDOHUQGFRBM-NSHDSACASA-N 1 0 225.336 0.582 20 30 BCEDRO CC#CCCNC(=O)N[C@H](C)C[C@@H](C)[NH3+] ZINC000573605375 364872623 /nfs/dbraw/zinc/87/26/23/364872623.db2.gz PAIZIUAAEMWCHC-NXEZZACHSA-N 1 0 211.309 0.825 20 30 BCEDRO Cc1nc(C(=O)N[C@H](C)C[NH3+])ccc1C#N ZINC000573574288 364866178 /nfs/dbraw/zinc/86/61/78/364866178.db2.gz DBUGPYLHRREFQT-SSDOTTSWSA-N 1 0 218.260 0.339 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCCNS(=O)(=O)CC ZINC000573813653 364922336 /nfs/dbraw/zinc/92/23/36/364922336.db2.gz IEDITDBEAGXWFJ-SNVBAGLBSA-N 1 0 247.364 0.598 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)NC[C@@H]1C[NH2+]CCO1 ZINC000573811851 364923086 /nfs/dbraw/zinc/92/30/86/364923086.db2.gz KSEACOXNBSRJID-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)NCCC[NH2+]CC ZINC000573942353 364943045 /nfs/dbraw/zinc/94/30/45/364943045.db2.gz LCKYLQHXRFROHL-NSHDSACASA-N 1 0 243.351 0.612 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)CC[N@H+](C)C1CC1 ZINC000573953291 364942549 /nfs/dbraw/zinc/94/25/49/364942549.db2.gz STXNIFCFNXRBGQ-GFCCVEGCSA-N 1 0 226.320 0.476 20 30 BCEDRO COC[C@@](C)([NH3+])CNc1cncc(C#N)n1 ZINC000574752537 365135598 /nfs/dbraw/zinc/13/55/98/365135598.db2.gz VVWIXHLFUGBNQG-JTQLQIEISA-N 1 0 221.264 0.124 20 30 BCEDRO N#Cc1cncnc1NC1CC[NH+](C2CC2)CC1 ZINC000575041971 365175571 /nfs/dbraw/zinc/17/55/71/365175571.db2.gz PCSVIOZVAYDOEQ-UHFFFAOYSA-N 1 0 243.314 0.809 20 30 BCEDRO Cc1cc(C#N)nc(N2CC[NH2+]C[C@@](C)(F)C2)n1 ZINC000575357168 365301899 /nfs/dbraw/zinc/30/18/99/365301899.db2.gz MFAKHXTYAZTEIR-GFCCVEGCSA-N 1 0 249.293 0.795 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)[C@]23C[C@H]2CC[NH2+]3)C1 ZINC000575374468 365305675 /nfs/dbraw/zinc/30/56/75/365305675.db2.gz FWJNNBJLTDGGPJ-XNDJQWLSSA-N 1 0 219.288 0.547 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCN1CCO[C@@H](C)C1 ZINC000575759420 365357153 /nfs/dbraw/zinc/35/71/53/365357153.db2.gz SUVWGVMLCPQMMT-NWDGAFQWSA-N 1 0 225.336 0.989 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H]1CCO ZINC000336695479 365359870 /nfs/dbraw/zinc/35/98/70/365359870.db2.gz YXBYOBRZAGSYHK-QWRGUYRKSA-N 1 0 226.320 0.429 20 30 BCEDRO CC1(C)COCCN1CC[NH2+]CCC#N ZINC000575862086 365389051 /nfs/dbraw/zinc/38/90/51/365389051.db2.gz SKSCPVLCWPJOEJ-UHFFFAOYSA-N 1 0 211.309 0.600 20 30 BCEDRO C=C(C)C(C)(C)C(=O)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000576051521 365465490 /nfs/dbraw/zinc/46/54/90/365465490.db2.gz KODQDICKHYSJFV-QWRGUYRKSA-N 1 0 240.347 0.722 20 30 BCEDRO COC(=O)CN(C)CCOCCC#N ZINC000338891089 365440328 /nfs/dbraw/zinc/44/03/28/365440328.db2.gz BIQPCLFUHRZNQC-UHFFFAOYSA-N 1 0 200.238 0.021 20 30 BCEDRO COC(=O)[C@@H]1CCCCN1CCOCCC#N ZINC000338882180 365440466 /nfs/dbraw/zinc/44/04/66/365440466.db2.gz YFYYBEGNTRMIMN-NSHDSACASA-N 1 0 240.303 0.944 20 30 BCEDRO CC(=O)N1CCC[N@H+](CCOCCC#N)CC1 ZINC000338882084 365440789 /nfs/dbraw/zinc/44/07/89/365440789.db2.gz JCRBNKXJFQOUHQ-UHFFFAOYSA-N 1 0 239.319 0.471 20 30 BCEDRO CC(C)[N@H+](CCO)CCOCCC#N ZINC000338923623 365441905 /nfs/dbraw/zinc/44/19/05/365441905.db2.gz DLWJNRSQEWPXPA-UHFFFAOYSA-N 1 0 200.282 0.619 20 30 BCEDRO CC[C@@H]1C[N@H+](CCOCCC#N)C[C@@H]1O ZINC000339057376 365446523 /nfs/dbraw/zinc/44/65/23/365446523.db2.gz ARMLYTZBNSVGMI-MNOVXSKESA-N 1 0 212.293 0.619 20 30 BCEDRO C=CCOCC[NH2+][C@@H]1CCC[C@H]1C(=O)NC ZINC000339123138 365450894 /nfs/dbraw/zinc/45/08/94/365450894.db2.gz FHNMBFVQXAOFFC-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO N#CCCOCC[N@H+]1CCC[C@H]2C(=O)NC[C@H]21 ZINC000339154720 365451491 /nfs/dbraw/zinc/45/14/91/365451491.db2.gz LHDUCDVWFZRSPH-GHMZBOCLSA-N 1 0 237.303 0.127 20 30 BCEDRO CCC[N@H+](CCOCCC#N)CC(N)=O ZINC000339210449 365452525 /nfs/dbraw/zinc/45/25/25/365452525.db2.gz CKBUHHKUPAMQRR-UHFFFAOYSA-N 1 0 213.281 0.114 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](C#N)CCC#N ZINC000576040806 365459438 /nfs/dbraw/zinc/45/94/38/365459438.db2.gz ULIHUZFHJSAFFW-QWRGUYRKSA-N 1 0 207.277 0.957 20 30 BCEDRO N#Cc1ccc(OCC[NH2+]CCC(N)=O)cc1 ZINC000576150622 365501750 /nfs/dbraw/zinc/50/17/50/365501750.db2.gz VRXSQWZCSKNRFV-UHFFFAOYSA-N 1 0 233.271 0.402 20 30 BCEDRO COCC[N@H+](C)CCNC(=O)NC[C@H](C)C#N ZINC000182636591 366926051 /nfs/dbraw/zinc/92/60/51/366926051.db2.gz PZNXFBIBOAZJHZ-SNVBAGLBSA-N 1 0 242.323 0.023 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000182868578 366953524 /nfs/dbraw/zinc/95/35/24/366953524.db2.gz BRTDVFCKRUDVLM-QWRGUYRKSA-N 1 0 238.335 0.882 20 30 BCEDRO CC(C)(CC(N)=O)[NH2+]Cc1ccc(C#N)cn1 ZINC000579727210 366993005 /nfs/dbraw/zinc/99/30/05/366993005.db2.gz AEKMOBBVZGVXPH-UHFFFAOYSA-N 1 0 232.287 0.697 20 30 BCEDRO N#CCCNC1CC[NH+]([C@@H]2CCC[C@H]2O)CC1 ZINC000579943211 367094033 /nfs/dbraw/zinc/09/40/33/367094033.db2.gz GDOAWKKLMHCQFB-CHWSQXEVSA-N 1 0 237.347 0.867 20 30 BCEDRO C=CCOCC(=O)NC(C)(C)CC[NH3+] ZINC000579947154 367096152 /nfs/dbraw/zinc/09/61/52/367096152.db2.gz VEPYNYZMWMYLIP-UHFFFAOYSA-N 1 0 200.282 0.433 20 30 BCEDRO CC(C)COC[C@H](O)C[NH2+][C@@H](C)CC#N ZINC000068610835 370821125 /nfs/dbraw/zinc/82/11/25/370821125.db2.gz AUPFGBDRYMINBT-WDEREUQCSA-N 1 0 214.309 0.912 20 30 BCEDRO Cc1nc(C(=O)N2CC[NH2+]C[C@@H]2C)ccc1C#N ZINC000580900367 367201823 /nfs/dbraw/zinc/20/18/23/367201823.db2.gz SOVUVJKNKZZHAZ-VIFPVBQESA-N 1 0 244.298 0.696 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@@H](O)COCCOC ZINC000581140446 367275129 /nfs/dbraw/zinc/27/51/29/367275129.db2.gz MOVCDVOKEPHGND-GHMZBOCLSA-N 1 0 230.308 0.292 20 30 BCEDRO N#Cc1ccc(S(=O)(=O)NCCCC[NH3+])o1 ZINC000581142153 367276349 /nfs/dbraw/zinc/27/63/49/367276349.db2.gz IPMDRYDJRQZRLS-UHFFFAOYSA-N 1 0 243.288 0.168 20 30 BCEDRO COC(=O)N1CC([NH2+][C@@H]2CC[C@H](C#N)C2)C1 ZINC000381435095 367403523 /nfs/dbraw/zinc/40/35/23/367403523.db2.gz CMAKQOQBKWMHFH-DTWKUNHWSA-N 1 0 223.276 0.719 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCC=CO1 ZINC000381629227 367442071 /nfs/dbraw/zinc/44/20/71/367442071.db2.gz ODSGYIKKUMBLOT-NSHDSACASA-N 1 0 222.288 0.408 20 30 BCEDRO C#CC[N@@H+]1CCC[C@@H](N2CCOCC2)C1 ZINC000382501985 367530827 /nfs/dbraw/zinc/53/08/27/367530827.db2.gz SKMZMMZMVQADIR-GFCCVEGCSA-N 1 0 208.305 0.416 20 30 BCEDRO C=C1CCN(C(=O)C[C@@H]2C[NH2+]CCO2)CC1 ZINC000382574967 367542952 /nfs/dbraw/zinc/54/29/52/367542952.db2.gz BVVODSHUXGIPLR-LLVKDONJSA-N 1 0 224.304 0.544 20 30 BCEDRO C=C1CCN(C(=O)C[C@@H]2COCC[NH2+]2)CC1 ZINC000382602221 367548759 /nfs/dbraw/zinc/54/87/59/367548759.db2.gz STSAUIYEAOVTQB-LLVKDONJSA-N 1 0 224.304 0.544 20 30 BCEDRO N#CCc1ccc(CNC(=O)C[NH3+])cc1 ZINC000581549833 367580212 /nfs/dbraw/zinc/58/02/12/367580212.db2.gz HGMLXYHDAIMSGG-UHFFFAOYSA-N 1 0 203.245 0.328 20 30 BCEDRO C=C(C)CN(CC)C(=O)C[N@@H+]1C[C@@H](O)C[C@@H]1C ZINC000384958741 367765345 /nfs/dbraw/zinc/76/53/45/367765345.db2.gz RHXMETOKUWNMPO-RYUDHWBXSA-N 1 0 240.347 0.866 20 30 BCEDRO C[C@]1(O)CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000581733750 367796538 /nfs/dbraw/zinc/79/65/38/367796538.db2.gz ABXCMEPSZAZGRO-LBPRGKRZSA-N 1 0 217.272 0.910 20 30 BCEDRO C[C@H](C(=O)N(C)CCC#N)[N@H+](C)CCCO ZINC000440942159 201527081 /nfs/dbraw/zinc/52/70/81/201527081.db2.gz TXAGTMMHEQWASI-SNVBAGLBSA-N 1 0 227.308 0.061 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@@H](CO)[C@H]1CC ZINC000385829178 367867978 /nfs/dbraw/zinc/86/79/78/367867978.db2.gz SXYRSRQDDPPPQY-WDEREUQCSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CC[C@H](CO)[C@H]1CC ZINC000385829175 367868844 /nfs/dbraw/zinc/86/88/44/367868844.db2.gz SXYRSRQDDPPPQY-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CCC(=O)OCC)C(C)C ZINC000385540217 367842678 /nfs/dbraw/zinc/84/26/78/367842678.db2.gz LKYKQFLQTUVVMS-NEPJUHHUSA-N 1 0 241.331 0.938 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)NCCCCC#N)C1 ZINC000386264866 367942146 /nfs/dbraw/zinc/94/21/46/367942146.db2.gz WYOIDSRNKVYMFV-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1C(=O)N1CC[C@](F)(C#N)C1 ZINC000615593859 368125153 /nfs/dbraw/zinc/12/51/53/368125153.db2.gz GFMWUMGPZGPUON-KOLCDFICSA-N 1 0 225.267 0.545 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[C@@]2(CC[N@@H+](C)C2)C1 ZINC000615600444 368128257 /nfs/dbraw/zinc/12/82/57/368128257.db2.gz CDZBLUMPZLRPKO-YPMHNXCESA-N 1 0 238.331 0.478 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)N2CC[C@](F)(C#N)C2)C1 ZINC000615823646 368457131 /nfs/dbraw/zinc/45/71/31/368457131.db2.gz SPPKVVCUPMBDAW-ONGXEEELSA-N 1 0 225.267 0.402 20 30 BCEDRO N#CCC[C@H](C#N)C[NH2+]C[C@@H](O)C1CC1 ZINC000567111172 326117548 /nfs/dbraw/zinc/11/75/48/326117548.db2.gz MAPXBEUPIPVFMI-MWLCHTKSSA-N 1 0 207.277 0.790 20 30 BCEDRO N#Cc1ccc(C[NH2+]CCn2cncn2)cc1 ZINC000065934259 368635400 /nfs/dbraw/zinc/63/54/00/368635400.db2.gz QKNZTBZMMWAYPI-UHFFFAOYSA-N 1 0 227.271 0.940 20 30 BCEDRO N#CCNC(=O)C[NH2+]C1(c2ccccc2)CC1 ZINC000066500710 368651088 /nfs/dbraw/zinc/65/10/88/368651088.db2.gz PZKLDBMYQMXDPY-UHFFFAOYSA-N 1 0 229.283 0.905 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC(C)(C)C[NH+](C)C ZINC000457233058 203020441 /nfs/dbraw/zinc/02/04/41/203020441.db2.gz IHLPDTGKABHTPW-GFCCVEGCSA-N 1 0 228.336 0.770 20 30 BCEDRO N#CCCN1CCC[C@@H](C[NH+]2CCOCC2)C1 ZINC000069803150 368759832 /nfs/dbraw/zinc/75/98/32/368759832.db2.gz FXHLIALRFPTINO-CYBMUJFWSA-N 1 0 237.347 0.944 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000615984456 368854216 /nfs/dbraw/zinc/85/42/16/368854216.db2.gz LBDRHHIKEZLHGT-AAEUAGOBSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)C1([NH+](C)C)CC1 ZINC000616099804 368950151 /nfs/dbraw/zinc/95/01/51/368950151.db2.gz IMUVFNYUPCAKJX-SNVBAGLBSA-N 1 0 226.320 0.524 20 30 BCEDRO CC[NH2+][C@H](C)CNc1nccc(C#N)n1 ZINC000387668464 369048421 /nfs/dbraw/zinc/04/84/21/369048421.db2.gz PEBFLSPSMXHSIJ-MRVPVSSYSA-N 1 0 205.265 0.758 20 30 BCEDRO C[NH+](C)CC(=O)NCc1ccc(C#N)cc1F ZINC000105653528 369061947 /nfs/dbraw/zinc/06/19/47/369061947.db2.gz FTACTSBCQGQTGF-UHFFFAOYSA-N 1 0 235.262 0.875 20 30 BCEDRO CC#CCN(C)C(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000458410433 203170547 /nfs/dbraw/zinc/17/05/47/203170547.db2.gz MIHOAIDWAXUSBM-NSHDSACASA-N 1 0 235.331 0.888 20 30 BCEDRO C[C@H](CCC#N)C[N@@H+]1CCNC(=O)CC1 ZINC000618887465 369234172 /nfs/dbraw/zinc/23/41/72/369234172.db2.gz ZQUIPYKROBDXLY-SNVBAGLBSA-N 1 0 209.293 0.748 20 30 BCEDRO C=C(CC)CNC(=O)NCC[N@H+](CC)CCO ZINC000459068712 203228376 /nfs/dbraw/zinc/22/83/76/203228376.db2.gz DFRPDIYPYKFEBY-UHFFFAOYSA-N 1 0 243.351 0.566 20 30 BCEDRO C=C(C)CCNC(=O)NCC[NH+]1CCC1 ZINC000458999039 203220821 /nfs/dbraw/zinc/22/08/21/203220821.db2.gz LBHOQKFRJDMZKE-UHFFFAOYSA-N 1 0 211.309 0.958 20 30 BCEDRO COCCN(CC#N)CCN1CCO[C@@H](C)C1 ZINC000459529763 203294997 /nfs/dbraw/zinc/29/49/97/203294997.db2.gz FRWPXIFQNBSERO-LBPRGKRZSA-N 1 0 241.335 0.179 20 30 BCEDRO CCOC(=O)c1cnn(C[C@H](C)[NH3+])c1C#N ZINC000567730551 326252424 /nfs/dbraw/zinc/25/24/24/326252424.db2.gz IIZHBURJUJXPDX-ZETCQYMHSA-N 1 0 222.248 0.279 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1C[C@H]2C[NH2+]C[C@@H]2C1 ZINC000107573844 369354045 /nfs/dbraw/zinc/35/40/45/369354045.db2.gz CWIWJWCOWWEHMH-CHWSQXEVSA-N 1 0 249.358 0.338 20 30 BCEDRO Cc1nnc(N2C[C@H]3C[NH2+]C[C@H]3C2)c(C#N)c1C ZINC000107571730 369354103 /nfs/dbraw/zinc/35/41/03/369354103.db2.gz IPQQKDYYLHSBDJ-PHIMTYICSA-N 1 0 243.314 0.621 20 30 BCEDRO COCCCC(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000107839884 369362877 /nfs/dbraw/zinc/36/28/77/369362877.db2.gz VRPQWKUPDJESFM-UHFFFAOYSA-N 1 0 239.319 0.517 20 30 BCEDRO C[N@@H+]1CCCC[C@@H]1C(=O)N1CC(C)(C#N)C1 ZINC000619510393 369451000 /nfs/dbraw/zinc/45/10/00/369451000.db2.gz WBNSWXWNANUVNQ-SNVBAGLBSA-N 1 0 221.304 0.843 20 30 BCEDRO C[NH+](C)CCCNC(=O)NCC1(CC#N)CC1 ZINC000619525450 369459640 /nfs/dbraw/zinc/45/96/40/369459640.db2.gz QVOQWTBELVYBNA-UHFFFAOYSA-N 1 0 238.335 0.931 20 30 BCEDRO N#CCC1(C[NH2+]C2(CO)CCOCC2)CC1 ZINC000230734919 369460082 /nfs/dbraw/zinc/46/00/82/369460082.db2.gz BUEVLRNBUULUBM-UHFFFAOYSA-N 1 0 224.304 0.811 20 30 BCEDRO CC[C@H](CC#N)[NH2+]CCN1C(=O)CCC1=O ZINC000405413035 369460101 /nfs/dbraw/zinc/46/01/01/369460101.db2.gz WFTYMUNUFVLGTG-SECBINFHSA-N 1 0 223.276 0.417 20 30 BCEDRO N#Cc1cnccc1CN1CC[NH2+]CC1 ZINC000259973901 370960546 /nfs/dbraw/zinc/96/05/46/370960546.db2.gz AQCYKEUZRHZVQH-UHFFFAOYSA-N 1 0 202.261 0.358 20 30 BCEDRO C[N@@H+]1CC[C@@H](CC(=O)NCCCC#N)C1 ZINC000259973584 370961178 /nfs/dbraw/zinc/96/11/78/370961178.db2.gz MJAHGPKQRGYLNR-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO N#CCNC(=O)C[NH2+]C1(C2CCC2)CCC1 ZINC000459767928 203357122 /nfs/dbraw/zinc/35/71/22/203357122.db2.gz LPQPCFRSIIISSZ-UHFFFAOYSA-N 1 0 221.304 0.939 20 30 BCEDRO N#Cc1ccncc1N[C@@H]1[C@H]2C[NH2+]C[C@H]21 ZINC000250164866 369490710 /nfs/dbraw/zinc/49/07/10/369490710.db2.gz JKTFFBPAECPDBS-JZYVYDRUSA-N 1 0 200.245 0.583 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2C[C@@H]3C[C@H]2CS3)C1=O ZINC000459798512 203374030 /nfs/dbraw/zinc/37/40/30/203374030.db2.gz VJCFEAZYCMFQEL-GARJFASQSA-N 1 0 238.356 0.963 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000260218446 370984528 /nfs/dbraw/zinc/98/45/28/370984528.db2.gz WEYYGIPLGQIKEX-MNOVXSKESA-N 1 0 223.320 0.946 20 30 BCEDRO C[C@H]([NH2+][C@@H]1CC[C@@H](C#N)C1)[C@H]1CN(C)CCO1 ZINC000619673120 369520856 /nfs/dbraw/zinc/52/08/56/369520856.db2.gz WKRJLVNMRFFIMV-UMSGYPCISA-N 1 0 237.347 0.987 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)C[C@H]1CC[N@H+](C)C1 ZINC000260218493 370981842 /nfs/dbraw/zinc/98/18/42/370981842.db2.gz WEYYGIPLGQIKEX-WDEREUQCSA-N 1 0 223.320 0.946 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)CCCC(=O)NC ZINC000619720066 369549961 /nfs/dbraw/zinc/54/99/61/369549961.db2.gz XOAZPSUZWPZVAI-SECBINFHSA-N 1 0 228.292 0.172 20 30 BCEDRO C[C@@H]([NH3+])[C@@H]1CN(Cc2ccc(C#N)o2)CCO1 ZINC000600769231 369562574 /nfs/dbraw/zinc/56/25/74/369562574.db2.gz KCMWGHCLRBFPPS-SKDRFNHKSA-N 1 0 235.287 0.699 20 30 BCEDRO COCC[NH2+]CCNCc1ccc(C#N)o1 ZINC000600770387 369566263 /nfs/dbraw/zinc/56/62/63/369566263.db2.gz YCNXAJKNOHWUCH-UHFFFAOYSA-N 1 0 223.276 0.477 20 30 BCEDRO CC[C@@H]([NH3+])c1cn(-c2ncccc2C#N)nn1 ZINC000600976496 369582518 /nfs/dbraw/zinc/58/25/18/369582518.db2.gz QHMZHAXOUMPUPW-SECBINFHSA-N 1 0 228.259 0.944 20 30 BCEDRO COCCN(C)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602527778 369805634 /nfs/dbraw/zinc/80/56/34/369805634.db2.gz LIWWNTMSDQXLLA-UHFFFAOYSA-N 1 0 248.330 0.621 20 30 BCEDRO C[C@@H](Cn1cncn1)[NH2+]Cc1cccc(C#N)n1 ZINC000602535337 369808668 /nfs/dbraw/zinc/80/86/68/369808668.db2.gz LVFYCPOSGYSKCB-JTQLQIEISA-N 1 0 242.286 0.723 20 30 BCEDRO CN1C[C@@H]([NH2+]Cc2cccc(C#N)n2)CCC1=O ZINC000602552805 369812365 /nfs/dbraw/zinc/81/23/65/369812365.db2.gz PUZAOHAARJJKSH-LBPRGKRZSA-N 1 0 244.298 0.664 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@H]2CCOC2)n1 ZINC000602571784 369816414 /nfs/dbraw/zinc/81/64/14/369816414.db2.gz OBXJTTNIOMYJPF-NSHDSACASA-N 1 0 203.245 0.832 20 30 BCEDRO N#Cc1ccc(CC(=O)N2C[C@@H]3C[C@H]2C[NH2+]3)cn1 ZINC000602593412 369823289 /nfs/dbraw/zinc/82/32/89/369823289.db2.gz YYSQKAZEMHEYTG-RYUDHWBXSA-N 1 0 242.282 0.068 20 30 BCEDRO COC(=O)C1(C[NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602624751 369830588 /nfs/dbraw/zinc/83/05/88/369830588.db2.gz QTBXEWYAWFNNQZ-UHFFFAOYSA-N 1 0 245.282 0.996 20 30 BCEDRO C[C@@H]1C[C@H](O)C[N@@H+]1Cc1cccc(C#N)n1 ZINC000602629703 369830753 /nfs/dbraw/zinc/83/07/53/369830753.db2.gz ISNRGNYCNOXHIO-SKDRFNHKSA-N 1 0 217.272 0.908 20 30 BCEDRO COCCC[N@H+](CCO)Cc1cccc(C#N)n1 ZINC000602631474 369832657 /nfs/dbraw/zinc/83/26/57/369832657.db2.gz XOMAXEBATFSBRZ-UHFFFAOYSA-N 1 0 249.314 0.784 20 30 BCEDRO C[N@H+](CCC(N)=O)Cc1cccc(C#N)n1 ZINC000602657011 369834830 /nfs/dbraw/zinc/83/48/30/369834830.db2.gz WGIGZTOJWRTJNK-UHFFFAOYSA-N 1 0 218.260 0.260 20 30 BCEDRO N#Cc1ncn(CC[NH2+]Cc2ccns2)n1 ZINC000602654523 369835302 /nfs/dbraw/zinc/83/53/02/369835302.db2.gz MTWPBVUAQOYLSG-UHFFFAOYSA-N 1 0 234.288 0.396 20 30 BCEDRO CC[C@@](C)(C[NH2+]CCn1cnc(C#N)n1)OC ZINC000602657119 369835964 /nfs/dbraw/zinc/83/59/64/369835964.db2.gz XGKJIBPIEFGYQU-NSHDSACASA-N 1 0 237.307 0.554 20 30 BCEDRO COC[C@@](C)(O)CC[NH2+]Cc1cccc(C#N)n1 ZINC000602676391 369838240 /nfs/dbraw/zinc/83/82/40/369838240.db2.gz ZTMKHUYNFDZOHV-ZDUSSCGKSA-N 1 0 249.314 0.830 20 30 BCEDRO CC[N@H+](CCO)Cc1cccc(C#N)n1 ZINC000602429562 369786793 /nfs/dbraw/zinc/78/67/93/369786793.db2.gz PRPAZGVUALTTNM-UHFFFAOYSA-N 1 0 205.261 0.767 20 30 BCEDRO N#Cc1ccc(CC(=O)N2CC[C@@H]([NH3+])C2)cn1 ZINC000602423371 369786956 /nfs/dbraw/zinc/78/69/56/369786956.db2.gz YEYRIQYKKFLWPY-SNVBAGLBSA-N 1 0 230.271 0.055 20 30 BCEDRO C[NH2+][C@@H]1CCN(C(=O)Cc2ccc(C#N)nc2)C1 ZINC000602422871 369787010 /nfs/dbraw/zinc/78/70/10/369787010.db2.gz UXRLUCNIDHYOIJ-GFCCVEGCSA-N 1 0 244.298 0.316 20 30 BCEDRO N#Cc1ccc(CC(=O)NC[C@@H]2CCC[NH2+]2)cn1 ZINC000602427129 369787227 /nfs/dbraw/zinc/78/72/27/369787227.db2.gz BOOVBBUSWKDNFH-LBPRGKRZSA-N 1 0 244.298 0.364 20 30 BCEDRO C[N@H+](Cc1cccc(C#N)n1)CC(C)(CO)CO ZINC000602472036 369793113 /nfs/dbraw/zinc/79/31/13/369793113.db2.gz FUGUKWKIQATYIQ-UHFFFAOYSA-N 1 0 249.314 0.376 20 30 BCEDRO N#Cc1cccc(C[NH2+]CCOCCO)n1 ZINC000602499237 369795973 /nfs/dbraw/zinc/79/59/73/369795973.db2.gz PXUWKVJTFOGHDN-UHFFFAOYSA-N 1 0 221.260 0.052 20 30 BCEDRO C[C@@H](O)C1([NH2+]Cc2cccc(C#N)n2)CC1 ZINC000602718915 369847385 /nfs/dbraw/zinc/84/73/85/369847385.db2.gz SZMYBCIVWCDTBO-SECBINFHSA-N 1 0 217.272 0.956 20 30 BCEDRO C[C@@]1(CO)C[C@@H](O)C[N@@H+]1Cc1ccnc(C#N)c1 ZINC000602895616 369861293 /nfs/dbraw/zinc/86/12/93/369861293.db2.gz BEEMCKXLQAALTJ-OLZOCXBDSA-N 1 0 247.298 0.271 20 30 BCEDRO N#Cc1nccnc1NC[C@H]1CSCC[NH2+]1 ZINC000603417769 369960465 /nfs/dbraw/zinc/96/04/65/369960465.db2.gz ALTHLZOUDVCQET-QMMMGPOBSA-N 1 0 235.316 0.465 20 30 BCEDRO Cc1nc(C(=O)NCC(C)(C)[NH3+])ccc1C#N ZINC000568149522 326313367 /nfs/dbraw/zinc/31/33/67/326313367.db2.gz PLSIXJVALYOUTD-UHFFFAOYSA-N 1 0 232.287 0.729 20 30 BCEDRO CC[N@@H+]1CCCN(c2ccnc(C#N)n2)CC1 ZINC000307896635 370063450 /nfs/dbraw/zinc/06/34/50/370063450.db2.gz LUVIHNHNYLEFAV-UHFFFAOYSA-N 1 0 231.303 0.880 20 30 BCEDRO C=CCOCC(=O)N1CC[NH2+][C@H](C(C)C)C1 ZINC000621153208 370126047 /nfs/dbraw/zinc/12/60/47/370126047.db2.gz NKLNSYAIBFMLKQ-NSHDSACASA-N 1 0 226.320 0.645 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C1CC[NH2+]CC1 ZINC000063093149 370130264 /nfs/dbraw/zinc/13/02/64/370130264.db2.gz VGCOFZTXCIRICF-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC1CC[NH+](CCS(=O)(=O)NC)CC1 ZINC000621257035 370189983 /nfs/dbraw/zinc/18/99/83/370189983.db2.gz DLEUGKBJLBMDFO-UHFFFAOYSA-N 1 0 232.349 0.434 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](C)[C@H](CO)C1 ZINC000621370206 370306688 /nfs/dbraw/zinc/30/66/88/370306688.db2.gz DRNYXLUUOVKOBI-NEPJUHHUSA-N 1 0 211.305 0.587 20 30 BCEDRO N#Cc1cc(N[C@@H]2CC[N@@H+](C3CC3)C2)ncn1 ZINC000310411927 370343631 /nfs/dbraw/zinc/34/36/31/370343631.db2.gz WYUAJPQDORTTHM-SECBINFHSA-N 1 0 229.287 0.997 20 30 BCEDRO N#Cc1cc(N[C@H]2CC[N@@H+](C3CC3)C2)ncn1 ZINC000310411931 370344065 /nfs/dbraw/zinc/34/40/65/370344065.db2.gz WYUAJPQDORTTHM-VIFPVBQESA-N 1 0 229.287 0.997 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1C[C@@H]2CCC[C@]2([NH3+])C1 ZINC000621779579 370528969 /nfs/dbraw/zinc/52/89/69/370528969.db2.gz GUOXPXUMTAFMBG-GVXVVHGQSA-N 1 0 237.347 0.490 20 30 BCEDRO C[C@H]1CCC[N@H+](CC(=O)NCC#N)CC1 ZINC000066496946 370584966 /nfs/dbraw/zinc/58/49/66/370584966.db2.gz ZYJKPRNNQWDJKD-JTQLQIEISA-N 1 0 209.293 0.748 20 30 BCEDRO CC(C)(CCC#N)C[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000093496951 371176543 /nfs/dbraw/zinc/17/65/43/371176543.db2.gz OEVPXQLVFIDOHL-AOOOYVTPSA-N 1 0 212.293 0.354 20 30 BCEDRO C[C@H](C[NH2+][C@@H]1CC[C@@H](C#N)C1)S(C)(=O)=O ZINC000389909003 371180898 /nfs/dbraw/zinc/18/08/98/371180898.db2.gz IEQGGTMOCYSGCH-OPRDCNLKSA-N 1 0 230.333 0.701 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNc1ccncc1C#N ZINC000390662403 371225760 /nfs/dbraw/zinc/22/57/60/371225760.db2.gz SOMKJYXZSGLZOO-LLVKDONJSA-N 1 0 216.288 0.881 20 30 BCEDRO N#Cc1c[nH]c(C(=O)NCC[N@H+]2CC=CCC2)c1 ZINC000279766355 371288343 /nfs/dbraw/zinc/28/83/43/371288343.db2.gz BAFWDRJYVDGCQX-UHFFFAOYSA-N 1 0 244.298 0.878 20 30 BCEDRO C[C@H]1OCC[C@@H]1[NH2+]C1CCN(CC#N)CC1 ZINC000125326768 371319756 /nfs/dbraw/zinc/31/97/56/371319756.db2.gz KGELOGAFOJCJRP-PWSUYJOCSA-N 1 0 223.320 0.741 20 30 BCEDRO C=C[C@H]1CCCCN1c1nc(N)[nH+]c(N)n1 ZINC000624164850 371359789 /nfs/dbraw/zinc/35/97/89/371359789.db2.gz KGBSNTUMJRUMJK-ZETCQYMHSA-N 1 0 220.280 0.242 20 30 BCEDRO C=CCC1(CNc2nc(N)[nH+]c(N)n2)CCCC1 ZINC000624259582 371446322 /nfs/dbraw/zinc/44/63/22/371446322.db2.gz QLLCEEZQCHXBLA-UHFFFAOYSA-N 1 0 248.334 0.667 20 30 BCEDRO C[C@@H]([NH3+])[C@@H](C)C(=O)N1CCN(CCC#N)CC1 ZINC000157042506 371517472 /nfs/dbraw/zinc/51/74/72/371517472.db2.gz HRTRTLMSGLNESR-GHMZBOCLSA-N 1 0 238.335 0.028 20 30 BCEDRO C=CC[C@@H]1CCCC[C@H]1Nc1nc(N)[nH+]c(N)n1 ZINC000624384795 371496182 /nfs/dbraw/zinc/49/61/82/371496182.db2.gz DXIISAZEYIHOGN-RKDXNWHRSA-N 1 0 248.334 0.665 20 30 BCEDRO C=CC(C)(C)CCNC(=O)C(=O)NCC[NH2+]C ZINC000627405199 371602650 /nfs/dbraw/zinc/60/26/50/371602650.db2.gz WUSSGDYBELTBGM-UHFFFAOYSA-N 1 0 241.335 0.041 20 30 BCEDRO COCC[NH2+]CCNC(=O)c1cccc(C#N)c1 ZINC000216293102 371736810 /nfs/dbraw/zinc/73/68/10/371736810.db2.gz UQZLLOJMHYTFSB-UHFFFAOYSA-N 1 0 247.298 0.524 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCN(CCCF)CC1 ZINC000627962404 372158331 /nfs/dbraw/zinc/15/83/31/372158331.db2.gz MMUMYIYIKRIUCG-JTQLQIEISA-N 1 0 230.283 0.037 20 30 BCEDRO C[C@H](CNC(=O)CSCC#N)[N@H+](C)C1CC1 ZINC000171106164 372312911 /nfs/dbraw/zinc/31/29/11/372312911.db2.gz PBQIIUFECUDWHT-SECBINFHSA-N 1 0 241.360 0.842 20 30 BCEDRO CC[N@H+](CCNC(=O)CSCC#N)C1CC1 ZINC000171144474 372371259 /nfs/dbraw/zinc/37/12/59/372371259.db2.gz PPKMZDDAMXXEGP-UHFFFAOYSA-N 1 0 241.360 0.844 20 30 BCEDRO C=CCNS(=O)(=O)CCC[NH+](C)C ZINC000631639314 372474934 /nfs/dbraw/zinc/47/49/34/372474934.db2.gz LCIABJDVIWVVBZ-UHFFFAOYSA-N 1 0 206.311 0.044 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CCCCC[C@H]([NH3+])C1 ZINC000631832403 372616701 /nfs/dbraw/zinc/61/67/01/372616701.db2.gz FKUJUNKRWFAJQP-NEPJUHHUSA-N 1 0 239.363 0.880 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1C[C@@H]([NH3+])C[C@H]1C ZINC000631858416 372658242 /nfs/dbraw/zinc/65/82/42/372658242.db2.gz YJZWLVCQJMATHP-NEPJUHHUSA-N 1 0 237.347 0.609 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1C[C@@H]2C[C@H]1C[NH2+]2 ZINC000631851837 372649902 /nfs/dbraw/zinc/64/99/02/372649902.db2.gz QJKICXWPKFOYRL-RYUDHWBXSA-N 1 0 235.331 0.233 20 30 BCEDRO C=C[C@@H](C)NS(=O)(=O)N(C)C1CC[NH2+]CC1 ZINC000631926427 372695066 /nfs/dbraw/zinc/69/50/66/372695066.db2.gz XFZXTYGFWJMRAB-SECBINFHSA-N 1 0 247.364 0.079 20 30 BCEDRO C=C(C)CS(=O)(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000632369514 372902876 /nfs/dbraw/zinc/90/28/76/372902876.db2.gz PBVONWWPQOFPAA-MNOVXSKESA-N 1 0 246.376 0.917 20 30 BCEDRO C=CCCCS(=O)(=O)N1CC(C[NH+](C)C)C1 ZINC000632382473 372910736 /nfs/dbraw/zinc/91/07/36/372910736.db2.gz SBJKYJFFBRTKRW-UHFFFAOYSA-N 1 0 246.376 0.776 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)CS(=O)(=O)CC ZINC000186698207 205723983 /nfs/dbraw/zinc/72/39/83/205723983.db2.gz ZDDFMDIDRMQNSB-VHSXEESVSA-N 1 0 235.349 0.336 20 30 BCEDRO C=C(CC)CNC(=O)N1CCO[C@H]([C@@H](C)[NH3+])C1 ZINC000633716346 373702256 /nfs/dbraw/zinc/70/22/56/373702256.db2.gz WYFDSMLJNIMYAD-MNOVXSKESA-N 1 0 241.335 0.710 20 30 BCEDRO C=CC1CCN(C(=O)[C@H]2CN(C)CCO2)CC1 ZINC000174779613 374262254 /nfs/dbraw/zinc/26/22/54/374262254.db2.gz YMNMDFDGOSPWPL-GFCCVEGCSA-N 1 0 238.331 0.742 20 30 BCEDRO COC[C@@H](C)N(C)C(=O)[C@@H]([NH3+])CCCC#N ZINC000424092340 206028906 /nfs/dbraw/zinc/02/89/06/206028906.db2.gz OQACTBQFXOZDJW-ZJUUUORDSA-N 1 0 227.308 0.501 20 30 BCEDRO C=CCC1(C(=O)N(C)CC[NH3+])CCOCC1 ZINC000424192652 206034666 /nfs/dbraw/zinc/03/46/66/206034666.db2.gz JMPSGCBTBOKZOY-UHFFFAOYSA-N 1 0 226.320 0.776 20 30 BCEDRO CCOC(=O)COCC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000459492119 206130324 /nfs/dbraw/zinc/13/03/24/206130324.db2.gz ZSOGHSSXYBZQCN-MNOVXSKESA-N 1 0 240.303 0.848 20 30 BCEDRO CCCN(c1nccc(C#N)n1)[C@H]1CC[NH2+]C1 ZINC000231942711 169183564 /nfs/dbraw/zinc/18/35/64/169183564.db2.gz OJXJMOXZKRNEGM-NSHDSACASA-N 1 0 231.303 0.927 20 30 BCEDRO C=C(C)C[N@@H+](C)Cc1cn(C)c(=O)n(C)c1=O ZINC000179295708 134319444 /nfs/dbraw/zinc/31/94/44/134319444.db2.gz PNNVBPBWRXBEGW-UHFFFAOYSA-N 1 0 237.303 0.092 20 30 BCEDRO C#CCNC(=[NH2+])NCc1ccc(OC)c(OC)c1 ZINC000264091676 532988765 /nfs/dbraw/zinc/98/87/65/532988765.db2.gz LDMQVMGUUGBSLL-UHFFFAOYSA-N 1 0 247.298 0.741 20 30 BCEDRO C[C@@H]([NH2+]CC(=O)NCC#N)C1CCCC1 ZINC000069804720 383848252 /nfs/dbraw/zinc/84/82/52/383848252.db2.gz HNLLLUSHZKZWEC-SECBINFHSA-N 1 0 209.293 0.794 20 30 BCEDRO C=CCOCCCC(=O)N[C@H](C)CC[NH3+] ZINC000309376468 383848483 /nfs/dbraw/zinc/84/84/83/383848483.db2.gz CQRPZNBJNYZFOF-SNVBAGLBSA-N 1 0 214.309 0.823 20 30 BCEDRO N#Cc1ncn(CC[NH2+]C2CCSCC2)n1 ZINC000309567747 383871077 /nfs/dbraw/zinc/87/10/77/383871077.db2.gz LMCZKESQHMFMLD-UHFFFAOYSA-N 1 0 237.332 0.635 20 30 BCEDRO C=CCNC(=O)C[NH2+]C[C@H](OC)C1CC1 ZINC000400218347 383920455 /nfs/dbraw/zinc/92/04/55/383920455.db2.gz MMFONLXFZUCPLF-JTQLQIEISA-N 1 0 212.293 0.303 20 30 BCEDRO C[NH+](C)C1CN(C(=O)c2cccc(C#N)c2)C1 ZINC000158382436 383903128 /nfs/dbraw/zinc/90/31/28/383903128.db2.gz YFGGSBFOESUZSL-UHFFFAOYSA-N 1 0 229.283 0.944 20 30 BCEDRO C[N@H+](Cc1ccc(C#N)cc1)[C@@H]1COC[C@H]1O ZINC000285546080 383952504 /nfs/dbraw/zinc/95/25/04/383952504.db2.gz LZDRHGQMPHDWCR-CHWSQXEVSA-N 1 0 232.283 0.750 20 30 BCEDRO Cc1nc(C(=O)N[C@@H](C)C[NH+](C)C)ccc1C#N ZINC000287345937 384021294 /nfs/dbraw/zinc/02/12/94/384021294.db2.gz ZFQKHPZOSHGSAQ-VIFPVBQESA-N 1 0 246.314 0.942 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000646880702 384014887 /nfs/dbraw/zinc/01/48/87/384014887.db2.gz ZCPAMTQZOHNMGF-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[NH2+][C@H](C)C2)nn1 ZINC000648128877 384081561 /nfs/dbraw/zinc/08/15/61/384081561.db2.gz VYZYPYPNKGTUQM-ZJUUUORDSA-N 1 0 249.318 0.334 20 30 BCEDRO C=CCNC(=O)C[N@H+](CC)CCC(=O)OC ZINC000050053337 384100708 /nfs/dbraw/zinc/10/07/08/384100708.db2.gz YRBNVLVZGMZZKE-UHFFFAOYSA-N 1 0 228.292 0.174 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@H]21 ZINC000332669897 384108434 /nfs/dbraw/zinc/10/84/34/384108434.db2.gz BKALOHKMWCCZPR-MXWKQRLJSA-N 1 0 237.303 0.078 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCO[C@H]2CC[N@H+](C)C[C@@H]21 ZINC000332669920 384108745 /nfs/dbraw/zinc/10/87/45/384108745.db2.gz BKALOHKMWCCZPR-VWYCJHECSA-N 1 0 237.303 0.078 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)CC)CC1 ZINC000299168933 384122249 /nfs/dbraw/zinc/12/22/49/384122249.db2.gz VVEVEOXUFURQLR-UHFFFAOYSA-N 1 0 208.305 0.810 20 30 BCEDRO C#CCCC[N@H+]1CCOC[C@H]1CC(=O)OC ZINC000367806670 533036707 /nfs/dbraw/zinc/03/67/07/533036707.db2.gz QKYQXWNSNUAZFN-LLVKDONJSA-N 1 0 225.288 0.664 20 30 BCEDRO COc1cc(CN2CC[NH2+]CC2)ccc1C#N ZINC000234984849 384164362 /nfs/dbraw/zinc/16/43/62/384164362.db2.gz KJKVMQXKPWFUGS-UHFFFAOYSA-N 1 0 231.299 0.972 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H](C)CC(=O)N(C)C ZINC000309391563 134398974 /nfs/dbraw/zinc/39/89/74/134398974.db2.gz ULPKPIQURZDYET-WDEREUQCSA-N 1 0 228.336 0.627 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NS(=O)(=O)CCC#N)C1 ZINC000408459685 384209271 /nfs/dbraw/zinc/20/92/71/384209271.db2.gz YRIXNZMFBBGZOQ-JTQLQIEISA-N 1 0 245.348 0.304 20 30 BCEDRO N#Cc1csc(C[NH2+]C[C@@]2(O)CCOC2)n1 ZINC000336699905 384254987 /nfs/dbraw/zinc/25/49/87/384254987.db2.gz NDXONIQAAMZXMN-JTQLQIEISA-N 1 0 239.300 0.256 20 30 BCEDRO C[C@H]1COCC[N@@H+]1CCC(=O)N(C)CCC#N ZINC000035775909 384315641 /nfs/dbraw/zinc/31/56/41/384315641.db2.gz IWCXXQOELPKUEC-NSHDSACASA-N 1 0 239.319 0.469 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1C[C@@H]([NH3+])C1(C)C ZINC000405410254 384295084 /nfs/dbraw/zinc/29/50/84/384295084.db2.gz TXYHGTYMHAAFFY-RKDXNWHRSA-N 1 0 211.309 0.004 20 30 BCEDRO CN1C(=O)N[C@@H]2C[N@@H+](CCCC#N)CC[C@@H]21 ZINC000408040823 384358787 /nfs/dbraw/zinc/35/87/87/384358787.db2.gz JPICJNDOUZVPSA-ZJUUUORDSA-N 1 0 222.292 0.388 20 30 BCEDRO C#CCN(CC#CC)C(=O)/C=C/C[NH+](C)C ZINC000490690725 384331708 /nfs/dbraw/zinc/33/17/08/384331708.db2.gz UGKWSOJAFYWWNC-CMDGGOBGSA-N 1 0 218.300 0.589 20 30 BCEDRO C[C@@H](CNC(=O)C1(C#N)CCC1)[NH+](C)C ZINC000083795569 384332744 /nfs/dbraw/zinc/33/27/44/384332744.db2.gz DNNBVDXMZWNTCM-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H]1C[N@H+](CCCSCC#N)C[C@@H](CO)O1 ZINC000248892371 384402883 /nfs/dbraw/zinc/40/28/83/384402883.db2.gz ZFTRATKODZGJSO-QWRGUYRKSA-N 1 0 244.360 0.715 20 30 BCEDRO C[NH+](C)C[C@@H]1CCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000337400047 384420556 /nfs/dbraw/zinc/42/05/56/384420556.db2.gz GWOVQDKVIBPMIL-JTQLQIEISA-N 1 0 246.314 0.910 20 30 BCEDRO CC#CC[N@H+](C)C[C@@H](O)COC[C@@H]1CCCO1 ZINC000550499821 384391226 /nfs/dbraw/zinc/39/12/26/384391226.db2.gz ACBVLIGTLUFKSZ-OLZOCXBDSA-N 1 0 241.331 0.498 20 30 BCEDRO C[NH+]1CCC(NC(=O)C2(C#N)CCC2)CC1 ZINC000084796664 384428359 /nfs/dbraw/zinc/42/83/59/384428359.db2.gz BFTVPCRYUYVRJY-UHFFFAOYSA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@H](C#N)C(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000084796673 384429855 /nfs/dbraw/zinc/42/98/55/384429855.db2.gz XYUUAKMQZKYCIS-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H](CCO)C(C)C ZINC000231040482 259651357 /nfs/dbraw/zinc/65/13/57/259651357.db2.gz PLPZEGGQPGGCFN-WDEREUQCSA-N 1 0 226.320 0.121 20 30 BCEDRO COCCNC(=[NH2+])NCc1cccc(C#N)c1 ZINC000161498680 384494899 /nfs/dbraw/zinc/49/48/99/384494899.db2.gz XBWBGWYADYNGTL-UHFFFAOYSA-N 1 0 232.287 0.609 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CC(F)C2)CC1 ZINC000490951383 384542639 /nfs/dbraw/zinc/54/26/39/384542639.db2.gz XMBJUKREGJNHFL-UHFFFAOYSA-N 1 0 224.279 0.512 20 30 BCEDRO C#CC(C)(C)NC(=O)[C@@H](C)N1CCN(C)CC1 ZINC000490950830 384544802 /nfs/dbraw/zinc/54/48/02/384544802.db2.gz SVDWHUMQVVZYFW-LLVKDONJSA-N 1 0 237.347 0.150 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1cc(C#N)c[nH]1 ZINC000176384004 384538083 /nfs/dbraw/zinc/53/80/83/384538083.db2.gz YBFQXVRDSSJGMI-UHFFFAOYSA-N 1 0 220.276 0.520 20 30 BCEDRO CC(C)CC[C@@H](O)C[NH2+]CC(=O)NCC#N ZINC000517926017 384575388 /nfs/dbraw/zinc/57/53/88/384575388.db2.gz UGSCQCONLYBSDZ-SNVBAGLBSA-N 1 0 227.308 0.013 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1ccc(C#N)cc1 ZINC000070558768 384583411 /nfs/dbraw/zinc/58/34/11/384583411.db2.gz LBJHISRDYIZWDJ-GFCCVEGCSA-N 1 0 220.272 0.655 20 30 BCEDRO C=CCCC[NH+]1CCN(CC(N)=O)CC1 ZINC000117874910 384610488 /nfs/dbraw/zinc/61/04/88/384610488.db2.gz ZXLBONADEJJGQM-UHFFFAOYSA-N 1 0 211.309 0.056 20 30 BCEDRO Cc1nc(C(=O)NCC2([NH3+])CCC2)ccc1C#N ZINC000565152133 384613913 /nfs/dbraw/zinc/61/39/13/384613913.db2.gz VRUIDDLFIDNGKJ-UHFFFAOYSA-N 1 0 244.298 0.873 20 30 BCEDRO C[NH+]1CCC(Nc2cnc(C#N)cn2)CC1 ZINC000071177777 384666348 /nfs/dbraw/zinc/66/63/48/384666348.db2.gz NPFMPDHFVPCLBF-UHFFFAOYSA-N 1 0 217.276 0.854 20 30 BCEDRO C[NH2+][C@@H](C)CNC(=O)c1ccc(C#N)cc1 ZINC000261584528 384642938 /nfs/dbraw/zinc/64/29/38/384642938.db2.gz PXDVUVZSXQJMQZ-VIFPVBQESA-N 1 0 217.272 0.896 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCc1nc(C)no1 ZINC000102712945 384725331 /nfs/dbraw/zinc/72/53/31/384725331.db2.gz MUFAYCQBIUNSAV-ZETCQYMHSA-N 1 0 225.296 0.623 20 30 BCEDRO N#Cc1cnc(CN2CC[C@@H]3OCC[C@@H]3C2)nc1 ZINC000565654022 384735294 /nfs/dbraw/zinc/73/52/94/384735294.db2.gz GQBHDHBNSSSBGS-NEPJUHHUSA-N 1 0 244.298 0.959 20 30 BCEDRO CN1C[C@H]([NH2+][C@H]2CCC[C@H](C#N)C2)CC1=O ZINC000309969490 384748470 /nfs/dbraw/zinc/74/84/70/384748470.db2.gz OSCKFOGLOWSARD-GARJFASQSA-N 1 0 221.304 0.889 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]Cc1cnn(C)c1 ZINC000320159528 384758550 /nfs/dbraw/zinc/75/85/50/384758550.db2.gz AQIAAEWICFERCC-NSHDSACASA-N 1 0 209.293 0.837 20 30 BCEDRO C[NH+]=C(NCCCn1cccn1)NC1CC1 ZINC000103337828 384761886 /nfs/dbraw/zinc/76/18/86/384761886.db2.gz UCHJZBXXSXYVDM-UHFFFAOYSA-N 1 0 221.308 0.601 20 30 BCEDRO C[C@@H]([NH2+]CCn1cccn1)C(=O)N(C)CCC#N ZINC000105932309 384819833 /nfs/dbraw/zinc/81/98/33/384819833.db2.gz WXWKRRDELOZISI-LLVKDONJSA-N 1 0 249.318 0.233 20 30 BCEDRO N#Cc1cccc(C[NH2+]C(CO)CO)c1 ZINC000083690135 384826156 /nfs/dbraw/zinc/82/61/56/384826156.db2.gz PHOWRHPYJWNIOJ-UHFFFAOYSA-N 1 0 206.245 0.001 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H](C)C[C@@H](C)[NH3+])nn1 ZINC000648191084 384806050 /nfs/dbraw/zinc/80/60/50/384806050.db2.gz UHCNJIDQRZKPIS-RKDXNWHRSA-N 1 0 237.307 0.320 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCC1(O)CCCC1 ZINC000104182189 384807739 /nfs/dbraw/zinc/80/77/39/384807739.db2.gz QFVQSRYYAQHVCC-UHFFFAOYSA-N 1 0 211.309 0.772 20 30 BCEDRO CCCC(N)=NOCC(=O)NCc1ccco1 ZINC000105605384 384877632 /nfs/dbraw/zinc/87/76/32/384877632.db2.gz VRTUMCUAXBNELI-UHFFFAOYSA-N 1 0 239.275 0.985 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+](C)C[C@@H](C)C(=O)OC ZINC000223644210 384887547 /nfs/dbraw/zinc/88/75/47/384887547.db2.gz QBUNBFMTVYJHOW-NXEZZACHSA-N 1 0 242.319 0.418 20 30 BCEDRO C#CCNC(=O)NCC[N@@H+](C)C1CCCC1 ZINC000104777102 384843800 /nfs/dbraw/zinc/84/38/00/384843800.db2.gz GRDRJKIGGMWIQA-UHFFFAOYSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000491441506 384865491 /nfs/dbraw/zinc/86/54/91/384865491.db2.gz WEDHDSUAORLJDF-WDEREUQCSA-N 1 0 235.331 0.886 20 30 BCEDRO C#CCN(C)C(=O)NCCC[N@H+](C)CC#C ZINC000297626741 384867125 /nfs/dbraw/zinc/86/71/25/384867125.db2.gz XZMLSNYTNMGKNQ-UHFFFAOYSA-N 1 0 221.304 0.216 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cncn1CC ZINC000320255051 384867718 /nfs/dbraw/zinc/86/77/18/384867718.db2.gz IWQZVXJXKZOXPK-JTQLQIEISA-N 1 0 209.293 0.930 20 30 BCEDRO C=CCN1CCC([NH2+]C[C@H](O)CC)CC1 ZINC000644549044 384952326 /nfs/dbraw/zinc/95/23/26/384952326.db2.gz HKKUXLCIRUWBQZ-GFCCVEGCSA-N 1 0 212.337 0.997 20 30 BCEDRO CC[C@@H](C#N)Sc1nnnn1CC[NH+](C)C ZINC000127492888 384903200 /nfs/dbraw/zinc/90/32/00/384903200.db2.gz RQYHAVBUCWFAJM-QMMMGPOBSA-N 1 0 240.336 0.629 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)[C@@H](C)OC ZINC000191720263 384907223 /nfs/dbraw/zinc/90/72/23/384907223.db2.gz ZDLHZMOITDQYHR-LPEHRKFASA-N 1 0 212.293 0.137 20 30 BCEDRO CC1(C)CN(C(=O)c2ccc(C#N)cn2)CC[NH2+]1 ZINC000148051940 384936733 /nfs/dbraw/zinc/93/67/33/384936733.db2.gz IVUWMEGRAYYPSP-UHFFFAOYSA-N 1 0 244.298 0.777 20 30 BCEDRO C=CCOCC[NH2+][C@@H](CO)[C@H]1CCCO1 ZINC000339140878 384969996 /nfs/dbraw/zinc/96/99/96/384969996.db2.gz ONYJCNBNAIYYDW-WDEREUQCSA-N 1 0 215.293 0.319 20 30 BCEDRO CCNC(=O)C[NH2+]Cc1ccc(C#N)s1 ZINC000135495512 384972850 /nfs/dbraw/zinc/97/28/50/384972850.db2.gz UFAOCEWESPGYKW-UHFFFAOYSA-N 1 0 223.301 0.845 20 30 BCEDRO CC(C)(C#N)CC[N@@H+]1CC[C@H](CO)[C@@H](O)C1 ZINC000557506296 384989801 /nfs/dbraw/zinc/98/98/01/384989801.db2.gz RNHWUDORLPQWQK-MNOVXSKESA-N 1 0 226.320 0.601 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@](C)(OC)C1CC1 ZINC000491484774 384996895 /nfs/dbraw/zinc/99/68/95/384996895.db2.gz KUJFHIHIYYBFCA-CYBMUJFWSA-N 1 0 238.331 0.531 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](C)S(C)(=O)=O ZINC000644618043 385007333 /nfs/dbraw/zinc/00/73/33/385007333.db2.gz VVQYTUIPZBFULP-VIFPVBQESA-N 1 0 221.322 0.212 20 30 BCEDRO CC[N@@H+]1C[C@H](C)N(CC(=O)NCC#N)C[C@@H]1C ZINC000408046260 385050163 /nfs/dbraw/zinc/05/01/63/385050163.db2.gz KKOSFBXFEHVMKT-QWRGUYRKSA-N 1 0 238.335 0.041 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CCC[N@@H+](C)C1 ZINC000648274020 385065646 /nfs/dbraw/zinc/06/56/46/385065646.db2.gz GIAGTMGDJQYUMH-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000646911936 385065779 /nfs/dbraw/zinc/06/57/79/385065779.db2.gz KAKJWTWUZYHTRL-WZRBSPASSA-N 1 0 238.331 0.476 20 30 BCEDRO C[NH+](C)[C@@H]1CCCN(CC(=O)NCC#N)CC1 ZINC000408383768 385068861 /nfs/dbraw/zinc/06/88/61/385068861.db2.gz XVOYRIYZOPCKSA-LLVKDONJSA-N 1 0 238.335 0.042 20 30 BCEDRO C#CCNC(=O)N1CC[C@@]2(C1)CCC[N@@H+](C)C2 ZINC000491514102 385071911 /nfs/dbraw/zinc/07/19/11/385071911.db2.gz GRXBLKBHHHRYNW-ZDUSSCGKSA-N 1 0 235.331 0.747 20 30 BCEDRO Cn1cc(C[NH2+]C[C@H](O)C(F)(F)F)cc1C#N ZINC000236073029 385027346 /nfs/dbraw/zinc/02/73/46/385027346.db2.gz RNSAQCPTKRCPAU-VIFPVBQESA-N 1 0 247.220 0.910 20 30 BCEDRO C[C@H](CC#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000557595626 385033067 /nfs/dbraw/zinc/03/30/67/385033067.db2.gz IBWHBRZCRVEJJT-VHSXEESVSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CCC[NH2+]CC1 ZINC000646986586 385114724 /nfs/dbraw/zinc/11/47/24/385114724.db2.gz KIMYITXZFPECAY-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCCOCC(=O)N[C@H]1CCC[C@H]([NH3+])C1 ZINC000646997526 385128348 /nfs/dbraw/zinc/12/83/48/385128348.db2.gz WNYZUNCJNLSPGY-QWRGUYRKSA-N 1 0 226.320 0.965 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)CCCCCO ZINC000227114559 385089689 /nfs/dbraw/zinc/08/96/89/385089689.db2.gz NWFYGOGEGXGEEZ-LLVKDONJSA-N 1 0 226.320 0.219 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+](C)[C@H]1CCC(=O)N(C)C1 ZINC000559636961 385091457 /nfs/dbraw/zinc/09/14/57/385091457.db2.gz SAZHXTMIFHHVIH-NWDGAFQWSA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CCC[C@H](NC(C)=O)C1 ZINC000246037658 385092482 /nfs/dbraw/zinc/09/24/82/385092482.db2.gz RCMGVBBMBBVJCR-STQMWFEESA-N 1 0 240.347 0.914 20 30 BCEDRO N#CCC1CC[NH+](CC(=O)N2CCC2)CC1 ZINC000334153425 385098321 /nfs/dbraw/zinc/09/83/21/385098321.db2.gz OJQCJRJMJNDBCN-UHFFFAOYSA-N 1 0 221.304 0.844 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@H+](C)C[C@H]1CCCO1 ZINC000246095996 385106753 /nfs/dbraw/zinc/10/67/53/385106753.db2.gz IPZUHIGDBBJZOP-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1cccn1C ZINC000294040297 533108135 /nfs/dbraw/zinc/10/81/35/533108135.db2.gz SLPRLORNIWRHLU-UHFFFAOYSA-N 1 0 233.315 0.710 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@@](C)(CC)C(N)=O ZINC000305049541 385191321 /nfs/dbraw/zinc/19/13/21/385191321.db2.gz BYIDUZBJPKBIPR-KOLCDFICSA-N 1 0 214.309 0.557 20 30 BCEDRO C[NH+](C)[C@@H]1CCN(C(=O)c2cc(C#N)ccn2)C1 ZINC000289233176 385192693 /nfs/dbraw/zinc/19/26/93/385192693.db2.gz UQDBDUDDSLBMFS-LLVKDONJSA-N 1 0 244.298 0.729 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ccncc1 ZINC000294015676 533106973 /nfs/dbraw/zinc/10/69/73/533106973.db2.gz QARSGTPLZFPMCJ-UHFFFAOYSA-N 1 0 231.299 0.767 20 30 BCEDRO C=CCCOCC(=O)N[C@H](C)CCC[NH3+] ZINC000647064242 385210746 /nfs/dbraw/zinc/21/07/46/385210746.db2.gz OWZRZFSKJTVEPB-SNVBAGLBSA-N 1 0 214.309 0.823 20 30 BCEDRO C[C@@H](O)C[N@@H+]1CCN(CC2(C#N)CC2)[C@@H](C)C1 ZINC000407970209 385221390 /nfs/dbraw/zinc/22/13/90/385221390.db2.gz ZXCMILBCUHRBFH-NWDGAFQWSA-N 1 0 237.347 0.677 20 30 BCEDRO C[C@H](O)C[N@@H+]1CCN(CC2(C#N)CC2)[C@@H](C)C1 ZINC000407970212 385221688 /nfs/dbraw/zinc/22/16/88/385221688.db2.gz ZXCMILBCUHRBFH-RYUDHWBXSA-N 1 0 237.347 0.677 20 30 BCEDRO CC#CCC[N@H+]1CC[C@@H](S(=O)(=O)NCC)C1 ZINC000157587964 385221687 /nfs/dbraw/zinc/22/16/87/385221687.db2.gz RQTGVVLHZULHSZ-LLVKDONJSA-N 1 0 244.360 0.413 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+]C2(C(N)=O)CC2)C1 ZINC000308851903 385225605 /nfs/dbraw/zinc/22/56/05/385225605.db2.gz CIORSXCJUYJWRF-RKDXNWHRSA-N 1 0 207.277 0.676 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H](C)CS(C)(=O)=O ZINC000308893268 385246855 /nfs/dbraw/zinc/24/68/55/385246855.db2.gz YNQXSAKROSBSRW-NXEZZACHSA-N 1 0 235.349 0.194 20 30 BCEDRO C[NH+](C)CCCNC(=O)c1ccc(C#N)[nH]1 ZINC000130472636 385253306 /nfs/dbraw/zinc/25/33/06/385253306.db2.gz FZENOXVFXIBGGP-UHFFFAOYSA-N 1 0 220.276 0.568 20 30 BCEDRO C[C@H](CC(N)=O)[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000308843690 385203844 /nfs/dbraw/zinc/20/38/44/385203844.db2.gz LBQUMHPHWQDHSX-UTLUCORTSA-N 1 0 209.293 0.922 20 30 BCEDRO CNC(=O)C[C@H](C)[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000308947561 385309355 /nfs/dbraw/zinc/30/93/55/385309355.db2.gz OFERGFJKFQKZOZ-LPEHRKFASA-N 1 0 209.293 0.793 20 30 BCEDRO C#CCN(C)[C@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372370649 533113009 /nfs/dbraw/zinc/11/30/09/533113009.db2.gz RSVYJHUQEFOYIQ-AWEZNQCLSA-N 1 0 235.375 0.720 20 30 BCEDRO N#C[C@H]1CCC[C@H]1[NH2+]CCn1cncn1 ZINC000330363601 385259129 /nfs/dbraw/zinc/25/91/29/385259129.db2.gz LLYDPRNNAFZIQM-NXEZZACHSA-N 1 0 205.265 0.560 20 30 BCEDRO C#CCNC(=O)CCN[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000491633449 385264439 /nfs/dbraw/zinc/26/44/39/385264439.db2.gz QDHJSHZHJSHCLT-STQMWFEESA-N 1 0 249.358 0.342 20 30 BCEDRO C[C@@H]1CC[C@@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000564869440 385271867 /nfs/dbraw/zinc/27/18/67/385271867.db2.gz XEQXPBAXUOCWDU-WOPDTQHZSA-N 1 0 225.336 0.581 20 30 BCEDRO C[C@@H]1CC[C@H]1[NH2+]C[C@H](O)CN(C)CCC#N ZINC000564869437 385272312 /nfs/dbraw/zinc/27/23/12/385272312.db2.gz XEQXPBAXUOCWDU-GRYCIOLGSA-N 1 0 225.336 0.581 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@H]2CN(C)C[C@@H]21 ZINC000644732387 385292120 /nfs/dbraw/zinc/29/21/20/385292120.db2.gz IIVNQOGOMRXEFG-AVGNSLFASA-N 1 0 224.348 0.949 20 30 BCEDRO C#CCN(C)[C@@H]1CC[N@@H+](C2CCN(C)CC2)C1 ZINC000372370653 533112158 /nfs/dbraw/zinc/11/21/58/533112158.db2.gz RSVYJHUQEFOYIQ-CQSZACIVSA-N 1 0 235.375 0.720 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@@H](OCCO)C1 ZINC000247434497 385336887 /nfs/dbraw/zinc/33/68/87/385336887.db2.gz NXJIMESHNGYHGF-CHWSQXEVSA-N 1 0 243.347 0.787 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@H]([C@H](C)[NH3+])C1 ZINC000429159245 385344835 /nfs/dbraw/zinc/34/48/35/385344835.db2.gz ZXEFFPHFBGNNST-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO C[C@@H](O)CC[N@H+](C)CCC(=O)N(C)CCC#N ZINC000131711623 385355668 /nfs/dbraw/zinc/35/56/68/385355668.db2.gz RASNHTPJTFQFFD-LLVKDONJSA-N 1 0 241.335 0.451 20 30 BCEDRO CN(CCN1CCOCC1)C(=O)C(C)(C)C#N ZINC000408002453 385360450 /nfs/dbraw/zinc/36/04/50/385360450.db2.gz UJZCYMWJBYBLCM-UHFFFAOYSA-N 1 0 239.319 0.327 20 30 BCEDRO CC(C)NC(=O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000309018619 385372742 /nfs/dbraw/zinc/37/27/42/385372742.db2.gz VRDRCKKJYPLDNI-ZJUUUORDSA-N 1 0 209.293 0.793 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)Cn1cccn1 ZINC000309018347 385372944 /nfs/dbraw/zinc/37/29/44/385372944.db2.gz VPAXHUCSVBJDRS-GHMZBOCLSA-N 1 0 209.293 0.798 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1[C@@H]2CC[C@H]1CCN(C)C2 ZINC000491657005 385376428 /nfs/dbraw/zinc/37/64/28/385376428.db2.gz FPEDLLSVFCEBSN-QWHCGFSZSA-N 1 0 249.358 0.294 20 30 BCEDRO CNC(=O)[C@@]1(C)CC[N@H+](CCCC#N)C1 ZINC000228070747 385327524 /nfs/dbraw/zinc/32/75/24/385327524.db2.gz FHTXNJJSSRUGHE-NSHDSACASA-N 1 0 209.293 0.748 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCC[C@H]1CCC[N@@H+](C)C1 ZINC000616234428 385445409 /nfs/dbraw/zinc/44/54/09/385445409.db2.gz VAOAFADPAJFWJW-YPMHNXCESA-N 1 0 240.347 0.772 20 30 BCEDRO CO[C@H]1C[C@@H](C(=O)N(C)CCC#N)[N@H+](C)C1 ZINC000408029629 385445831 /nfs/dbraw/zinc/44/58/31/385445831.db2.gz IEVGLSUNAONVMN-UWVGGRQHSA-N 1 0 225.292 0.078 20 30 BCEDRO C[C@@H]1C[C@@]1(C#N)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000448744484 385449949 /nfs/dbraw/zinc/44/99/49/385449949.db2.gz BQWPNZCFIIVDPC-XWIASGKRSA-N 1 0 235.331 0.993 20 30 BCEDRO CN(C)C(=[NH2+])NCc1ccccc1[N+](=O)[O-] ZINC000170910789 385454665 /nfs/dbraw/zinc/45/46/65/385454665.db2.gz JCNZHKBPCCREJG-UHFFFAOYSA-N 1 0 222.248 0.971 20 30 BCEDRO CNC(=O)c1cccc(CNC(=[NH2+])N(C)C)c1 ZINC000170913731 385456898 /nfs/dbraw/zinc/45/68/98/385456898.db2.gz IMBALNVKLJQSHD-UHFFFAOYSA-N 1 0 234.303 0.423 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H]1CCCC[NH2+]1 ZINC000644079276 385431071 /nfs/dbraw/zinc/43/10/71/385431071.db2.gz WJLYXZUMYAJXGG-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCCOCC(=O)N[C@@H]1C[NH2+]CC[C@H]1C ZINC000644115022 385492257 /nfs/dbraw/zinc/49/22/57/385492257.db2.gz LBKUXDBKERKVLI-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO C#CCN(CC#N)N1C[C@H]([NH+]2CCCC2)C[C@H]1C ZINC000377021908 533127598 /nfs/dbraw/zinc/12/75/98/533127598.db2.gz XBHRVAJBYCYAMH-ZIAGYGMSSA-N 1 0 246.358 0.919 20 30 BCEDRO COC(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)cn2)C1 ZINC000564344615 385537093 /nfs/dbraw/zinc/53/70/93/385537093.db2.gz SMWXDWGZWYMCRS-NSHDSACASA-N 1 0 245.282 0.948 20 30 BCEDRO N#Cc1ccc(N2CCC[N@@H+](CCO)CC2)cn1 ZINC000149409473 385542814 /nfs/dbraw/zinc/54/28/14/385542814.db2.gz CUAJGTMLJQGVJE-UHFFFAOYSA-N 1 0 246.314 0.458 20 30 BCEDRO C=C[C@@H](CO)NCc1cc(C(=O)OC)co1 ZINC000309423626 385577792 /nfs/dbraw/zinc/57/77/92/385577792.db2.gz DWSKZCURIQEOQF-VIFPVBQESA-N 1 0 225.244 0.703 20 30 BCEDRO Cc1cnn(CC[N@@H+]2CC[C@@](O)(CC#N)C2)c1 ZINC000592152674 385567466 /nfs/dbraw/zinc/56/74/66/385567466.db2.gz ZYKHCUZVEZXQRU-LBPRGKRZSA-N 1 0 234.303 0.542 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[C@@](O)(CC#N)C1 ZINC000592145884 385568022 /nfs/dbraw/zinc/56/80/22/385568022.db2.gz AMEUYRXYYWKNNU-PWSUYJOCSA-N 1 0 237.303 0.028 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@](O)(CC#N)C1 ZINC000592145883 385568044 /nfs/dbraw/zinc/56/80/44/385568044.db2.gz AMEUYRXYYWKNNU-JQWIXIFHSA-N 1 0 237.303 0.028 20 30 BCEDRO CC[N@H+](CCCC#N)CCOCCO ZINC000336676178 385599643 /nfs/dbraw/zinc/59/96/43/385599643.db2.gz CPVRXCWGHAIERW-UHFFFAOYSA-N 1 0 200.282 0.621 20 30 BCEDRO COC(=O)C[C@]1([NH2+]CCCC#N)CCOC1 ZINC000309446618 385586915 /nfs/dbraw/zinc/58/69/15/385586915.db2.gz JYDSXKKLLZXMED-LLVKDONJSA-N 1 0 226.276 0.602 20 30 BCEDRO C=CCCS(=O)(=O)NC1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000236654425 134461944 /nfs/dbraw/zinc/46/19/44/134461944.db2.gz YUHGOKIUZSVPQJ-ZACCUICWSA-N 1 0 244.360 0.765 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000644821148 385628450 /nfs/dbraw/zinc/62/84/50/385628450.db2.gz IIHGDHKKEYKAOB-MNOVXSKESA-N 1 0 224.304 0.352 20 30 BCEDRO C[C@H](C[S@](C)=O)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000598724369 385628677 /nfs/dbraw/zinc/62/86/77/385628677.db2.gz OHTIMTOACUJXPL-LYGAQUJYSA-N 1 0 246.376 0.644 20 30 BCEDRO C[N@H+](CCC(N)=O)CCc1ccc(C#N)cc1 ZINC000595483795 385630683 /nfs/dbraw/zinc/63/06/83/385630683.db2.gz MNXXFKMIOFMBRF-UHFFFAOYSA-N 1 0 231.299 0.908 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1ccc(C#N)[nH]1 ZINC000269754377 385633541 /nfs/dbraw/zinc/63/35/41/385633541.db2.gz GCWYAGDRFGDWSR-UHFFFAOYSA-N 1 0 220.276 0.520 20 30 BCEDRO C[NH+](C)CCCn1cc(CCC#N)nn1 ZINC000594643359 385610135 /nfs/dbraw/zinc/61/01/35/385610135.db2.gz HSIIFJMZKZFAHX-UHFFFAOYSA-N 1 0 207.281 0.686 20 30 BCEDRO C[C@H](CC#N)N(C)C[C@H](O)C[N@H+](C)C1CC1 ZINC000336677793 385611695 /nfs/dbraw/zinc/61/16/95/385611695.db2.gz WGXWBUWLXXNDMC-PWSUYJOCSA-N 1 0 225.336 0.675 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]Cc1ccnn1C ZINC000320714519 385640513 /nfs/dbraw/zinc/64/05/13/385640513.db2.gz HMUFICOESHFCET-SNVBAGLBSA-N 1 0 209.293 0.837 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000644822387 385645489 /nfs/dbraw/zinc/64/54/89/385645489.db2.gz SFSYMLTTYIELAP-RYUDHWBXSA-N 1 0 238.331 0.742 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)CO[C@H](C)COC)C(C)C ZINC000302463651 385655770 /nfs/dbraw/zinc/65/57/70/385655770.db2.gz YSLUBWPPUQJWRR-UPJWGTAASA-N 1 0 243.347 0.646 20 30 BCEDRO N#CCCS(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000408192769 385672917 /nfs/dbraw/zinc/67/29/17/385672917.db2.gz PCRUTEKOFWRRQJ-JTQLQIEISA-N 1 0 243.332 0.010 20 30 BCEDRO C#CCNC(NCC1(O)CCCCC1)=[NH+]CC ZINC000262771672 533142230 /nfs/dbraw/zinc/14/22/30/533142230.db2.gz HUPRBSJKLRONKI-UHFFFAOYSA-N 1 0 237.347 0.870 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1C[C@H]1C1CC[NH2+]CC1 ZINC000491728176 385691724 /nfs/dbraw/zinc/69/17/24/385691724.db2.gz HKGMGCYBJNSATE-NWDGAFQWSA-N 1 0 235.331 0.649 20 30 BCEDRO C#CCNC(N[C@@H]1[C@@H]2CCO[C@H]2C1(C)C)=[NH+]C ZINC000262411633 533140680 /nfs/dbraw/zinc/14/06/80/533140680.db2.gz PJSQTEKDNPDIJU-HBNTYKKESA-N 1 0 235.331 0.598 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000185707170 385736049 /nfs/dbraw/zinc/73/60/49/385736049.db2.gz DLYDJDPKGRQRQX-NWDGAFQWSA-N 1 0 240.347 0.914 20 30 BCEDRO C[NH+](C)CCNC(=O)c1ccc(C#N)o1 ZINC000336694856 385742735 /nfs/dbraw/zinc/74/27/35/385742735.db2.gz NQAXNLFXASGUES-UHFFFAOYSA-N 1 0 207.233 0.443 20 30 BCEDRO C=CC[C@@H](CO)NC(=O)C[NH+]1CCC(C)CC1 ZINC000185948879 385743780 /nfs/dbraw/zinc/74/37/80/385743780.db2.gz ADDWYSVRJABPDE-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1oc(CC)nc1C ZINC000491740717 385759522 /nfs/dbraw/zinc/75/95/22/385759522.db2.gz QYXVTPJWTCWGBV-UHFFFAOYSA-N 1 0 249.314 0.775 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]Cc1ccnn1C ZINC000336655820 385765825 /nfs/dbraw/zinc/76/58/25/385765825.db2.gz AEKZZERMIANQND-SNVBAGLBSA-N 1 0 209.293 0.694 20 30 BCEDRO CN1CCC[C@H]([NH2+][C@@H]2CC[C@@H](C#N)C2)C1=O ZINC000309664587 385773458 /nfs/dbraw/zinc/77/34/58/385773458.db2.gz STQBQWDDKWEKSZ-MXWKQRLJSA-N 1 0 221.304 0.889 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)CC(=O)N(C)C ZINC000186699838 385782353 /nfs/dbraw/zinc/78/23/53/385782353.db2.gz QIBLZUSQCIQKPO-NXEZZACHSA-N 1 0 214.309 0.380 20 30 BCEDRO C[C@H](C[S@](C)=O)[N@H+](C)CCCC#N ZINC000185115587 385719864 /nfs/dbraw/zinc/71/98/64/385719864.db2.gz UNPHTEVXSQXVJS-RNCFNFMXSA-N 1 0 202.323 0.989 20 30 BCEDRO CC#CCC[N@@H+]1CCC[C@@H](OCCO)C1 ZINC000185028313 385723005 /nfs/dbraw/zinc/72/30/05/385723005.db2.gz UKUABABMAMTHFV-GFCCVEGCSA-N 1 0 211.305 0.873 20 30 BCEDRO CN(C(=O)[C@H]1C[NH2+]CCO1)[C@@H]1CCC[C@H]1C#N ZINC000602597356 385809055 /nfs/dbraw/zinc/80/90/55/385809055.db2.gz BDUSNMZDZFZISW-HBNTYKKESA-N 1 0 237.303 0.125 20 30 BCEDRO C[C@@H]1C[NH+](CCn2ccnc2)C[C@@H](C)N1CC#N ZINC000602854191 385828185 /nfs/dbraw/zinc/82/81/85/385828185.db2.gz NXHIZNLEJUYHKU-CHWSQXEVSA-N 1 0 247.346 0.801 20 30 BCEDRO C=C[C@H](C(=O)OC)n1cc([C@H]([NH3+])CC)nn1 ZINC000603233680 385845286 /nfs/dbraw/zinc/84/52/86/385845286.db2.gz JSXQJZQRORDXMH-VXNVDRBHSA-N 1 0 224.264 0.588 20 30 BCEDRO C=CCn1cc(C(=O)N[C@@](C)(C[NH3+])C2CC2)nn1 ZINC000647807206 385859030 /nfs/dbraw/zinc/85/90/30/385859030.db2.gz RQQDDDJOVYLVFA-LBPRGKRZSA-N 1 0 249.318 0.321 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H](CO)C[NH+]1CCCCC1 ZINC000413795352 385883946 /nfs/dbraw/zinc/88/39/46/385883946.db2.gz BKBTUQQIIXDLDQ-GHMZBOCLSA-N 1 0 239.319 0.109 20 30 BCEDRO CC[C@@H](C(=O)N(CC#N)CCOC)[NH+](C)C ZINC000413852531 385901633 /nfs/dbraw/zinc/90/16/33/385901633.db2.gz ANMOGULVOMNLQR-JTQLQIEISA-N 1 0 227.308 0.325 20 30 BCEDRO N#Cc1cncc(N2CCC[C@@]3(CC[NH2+]C3)C2)n1 ZINC000572404355 385912550 /nfs/dbraw/zinc/91/25/50/385912550.db2.gz HQPGMDZBFZPOLO-ZDUSSCGKSA-N 1 0 243.314 0.928 20 30 BCEDRO COC[C@](C)([NH3+])CNc1nnc(C)c(C)c1C#N ZINC000265068528 385924968 /nfs/dbraw/zinc/92/49/68/385924968.db2.gz VKJRTLCPBJMBHJ-GFCCVEGCSA-N 1 0 249.318 0.741 20 30 BCEDRO C#CC[NH+]1CCC(C2N=NC(=O)N2CC)CC1 ZINC000378254741 533149524 /nfs/dbraw/zinc/14/95/24/533149524.db2.gz VGPCGOZUTSVDMN-UHFFFAOYSA-N 1 0 234.303 0.816 20 30 BCEDRO C=CCNC(=O)CN(C1CC1)C1CC[NH2+]CC1 ZINC000647814591 385869246 /nfs/dbraw/zinc/86/92/46/385869246.db2.gz UYHGBRBXKXBKTM-UHFFFAOYSA-N 1 0 237.347 0.505 20 30 BCEDRO C=CCn1cc(C(=O)N2CCC[C@@H]([NH2+]C)C2)nn1 ZINC000647733736 385870050 /nfs/dbraw/zinc/87/00/50/385870050.db2.gz ATYFNHQVLDMUEY-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@H](C[NH2+]C)C2)C1=O ZINC000647836853 385882486 /nfs/dbraw/zinc/88/24/86/385882486.db2.gz DNKIDXZPRRHPTM-RYUDHWBXSA-N 1 0 237.347 0.315 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1C[C@H](CO)OC(C)(C)C1 ZINC000643253315 385987023 /nfs/dbraw/zinc/98/70/23/385987023.db2.gz JKWIKOQRCHNWBQ-GHMZBOCLSA-N 1 0 229.320 0.395 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H](C)C[C@H](CO)C1 ZINC000643253735 385992005 /nfs/dbraw/zinc/99/20/05/385992005.db2.gz MMDMFAUPQMPDJL-RYUDHWBXSA-N 1 0 211.305 0.587 20 30 BCEDRO CC1(C(=O)N[C@@H]2CC[C@H](C#N)C2)C[NH2+]C1 ZINC000335050990 385949363 /nfs/dbraw/zinc/94/93/63/385949363.db2.gz MJASNGHUTANZSL-DTWKUNHWSA-N 1 0 207.277 0.404 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C2([NH3+])CCC2)C1 ZINC000335052605 385952028 /nfs/dbraw/zinc/95/20/28/385952028.db2.gz UHRLAWLBUFXWKP-DTWKUNHWSA-N 1 0 207.277 0.676 20 30 BCEDRO Cc1nc(C(=O)N2CC[NH2+]C[C@H]2C)ccc1C#N ZINC000572419020 385954857 /nfs/dbraw/zinc/95/48/57/385954857.db2.gz SOVUVJKNKZZHAZ-SECBINFHSA-N 1 0 244.298 0.696 20 30 BCEDRO C#CC[NH+]1CCC2(CCN(C)C2=O)CC1 ZINC000373147498 533152353 /nfs/dbraw/zinc/15/23/53/533152353.db2.gz NPPLRRGVDOVKMK-UHFFFAOYSA-N 1 0 206.289 0.564 20 30 BCEDRO CC#CCN1C[C@@H]2CCS(=O)(=O)[C@@H]2C1 ZINC000334432533 386051003 /nfs/dbraw/zinc/05/10/03/386051003.db2.gz LJXAAFUVRWCXCP-VHSXEESVSA-N 1 0 213.302 0.129 20 30 BCEDRO C[C@H](C#N)C(=O)NCC[N@@H+]1CCC[C@H](C)C1 ZINC000345838882 386121761 /nfs/dbraw/zinc/12/17/61/386121761.db2.gz HUDMLYILOOWHPK-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)c1ccc(C#N)o1 ZINC000309285708 386069076 /nfs/dbraw/zinc/06/90/76/386069076.db2.gz GKZOGBLLESYHCD-QMMMGPOBSA-N 1 0 221.260 0.831 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)[C@H]1C[N@@H+](C)C[C@@H]1C ZINC000456762559 386090768 /nfs/dbraw/zinc/09/07/68/386090768.db2.gz GAGHUIULDWTDEC-TUAOUCFPSA-N 1 0 240.347 0.627 20 30 BCEDRO C=CCn1cc(C(=O)NCC[C@H]2CC[NH2+]C2)nn1 ZINC000647769672 386097563 /nfs/dbraw/zinc/09/75/63/386097563.db2.gz DTRBAKGWEISGEP-SNVBAGLBSA-N 1 0 249.318 0.194 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@@H]2CCC[N@H+]2C)nn1 ZINC000424909897 386212228 /nfs/dbraw/zinc/21/22/28/386212228.db2.gz WRCSFMNPHRNUKB-NSHDSACASA-N 1 0 249.318 0.175 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CCC(C#N)CC1 ZINC000293298251 533162663 /nfs/dbraw/zinc/16/26/63/533162663.db2.gz ZHBRDYSADNJSJV-UHFFFAOYSA-N 1 0 219.288 0.361 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC000347127627 386236333 /nfs/dbraw/zinc/23/63/33/386236333.db2.gz FBQQPPLNMUMEIY-JTQLQIEISA-N 1 0 221.304 0.913 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@](C)(CO)C(C)C ZINC000393957307 386237510 /nfs/dbraw/zinc/23/75/10/386237510.db2.gz YBUKDYSVCRWQAA-LBPRGKRZSA-N 1 0 226.320 0.123 20 30 BCEDRO C[C@H](C#N)C(=O)N1CCC[N@@H+]([C@H](C)CO)CC1 ZINC000347098047 386246684 /nfs/dbraw/zinc/24/66/84/386246684.db2.gz KXEUHJLNTOGECH-GHMZBOCLSA-N 1 0 239.319 0.061 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCC[N@@H+]([C@@H](C)CO)CC1 ZINC000347098049 386247341 /nfs/dbraw/zinc/24/73/41/386247341.db2.gz KXEUHJLNTOGECH-QWRGUYRKSA-N 1 0 239.319 0.061 20 30 BCEDRO CC[N@H+](CCNC(=O)[C@@H](C)C#N)C(C)C ZINC000347137799 386257128 /nfs/dbraw/zinc/25/71/28/386257128.db2.gz QHULGYZFZBKTJU-JTQLQIEISA-N 1 0 211.309 0.993 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C(C)(C)C(C)(C)O ZINC000293755599 533163452 /nfs/dbraw/zinc/16/34/52/533163452.db2.gz JJEDEYSKPTYIRJ-UHFFFAOYSA-N 1 0 226.320 0.265 20 30 BCEDRO C[C@@H](O)C[N@H+](CCC(C)(C)C#N)[C@@H](C)CO ZINC000347210595 386285217 /nfs/dbraw/zinc/28/52/17/386285217.db2.gz UFZUEQPFVBBQEL-WDEREUQCSA-N 1 0 228.336 0.990 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@@H](CO)CC1 ZINC000393960290 386287661 /nfs/dbraw/zinc/28/76/61/386287661.db2.gz NJIPPPAKHFUWQK-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO CCCC[N@H+](C)CCNS(=O)(=O)[C@@H](C)C#N ZINC000416387065 386307895 /nfs/dbraw/zinc/30/78/95/386307895.db2.gz IXXOKHBVOBAOBA-JTQLQIEISA-N 1 0 247.364 0.550 20 30 BCEDRO C[NH2+]C[C@@H](C)CNc1cc(C)ncc1C#N ZINC000398987362 386320762 /nfs/dbraw/zinc/32/07/62/386320762.db2.gz IEKXWZGRZFUPRG-SECBINFHSA-N 1 0 218.304 0.951 20 30 BCEDRO C=CCNC(=[NH2+])NCCC(OCC)OCC ZINC000276429308 386322074 /nfs/dbraw/zinc/32/20/74/386322074.db2.gz YIKWLMZGGDYPGA-UHFFFAOYSA-N 1 0 229.324 0.866 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]([NH+]2CCCC2)[C@H]1C ZINC000367338915 533169624 /nfs/dbraw/zinc/16/96/24/533169624.db2.gz GSWYJBFOZXFMAU-NEPJUHHUSA-N 1 0 235.331 0.888 20 30 BCEDRO C=C(C)C[N@@H+](C)CC(=O)NC(=O)NCC ZINC000181264256 386347557 /nfs/dbraw/zinc/34/75/57/386347557.db2.gz HCZYICRJOCMQNH-UHFFFAOYSA-N 1 0 213.281 0.340 20 30 BCEDRO C=C(C)C[N@H+](C)CCCN1C(=O)CNC1=O ZINC000181329581 386350610 /nfs/dbraw/zinc/35/06/10/386350610.db2.gz GQTXANZKKOTGLY-UHFFFAOYSA-N 1 0 225.292 0.436 20 30 BCEDRO C=CC[NH+]1CCC(NC(=O)NCCF)CC1 ZINC000280904761 386357589 /nfs/dbraw/zinc/35/75/89/386357589.db2.gz GHFQVTYMBVDYEJ-UHFFFAOYSA-N 1 0 229.299 0.906 20 30 BCEDRO C#CCNC(=O)N1CCCC12CC[NH+](C)CC2 ZINC000378337420 533167331 /nfs/dbraw/zinc/16/73/31/533167331.db2.gz PWQPWMPOBFMRBS-UHFFFAOYSA-N 1 0 235.331 0.889 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2CC[N@@H+](C)[C@H]2C1 ZINC000371511429 533168730 /nfs/dbraw/zinc/16/87/30/533168730.db2.gz XDVHKLLPCNUQIF-QWRGUYRKSA-N 1 0 221.304 0.355 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CCC[C@H]([NH3+])C2)nn1 ZINC000519425052 386443534 /nfs/dbraw/zinc/44/35/34/386443534.db2.gz HBMWHRRCGPMCPN-WDEREUQCSA-N 1 0 235.335 0.824 20 30 BCEDRO C=C(CC)C[N@@H+]1CCC[C@H](S(N)(=O)=O)C1 ZINC000347545056 386447270 /nfs/dbraw/zinc/44/72/70/386447270.db2.gz KMFQLCVQQGKTNM-JTQLQIEISA-N 1 0 232.349 0.706 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)NCC#Cc1ccccc1 ZINC000416939589 386424267 /nfs/dbraw/zinc/42/42/67/386424267.db2.gz DFLWJRXGQUEOTP-NSHDSACASA-N 1 0 231.299 0.685 20 30 BCEDRO C#CCNC(=O)N1C[C@H]([NH+]2CCCC2)C[C@@H]1C ZINC000375633463 533170307 /nfs/dbraw/zinc/17/03/07/533170307.db2.gz XSBQPNUEMLVQEE-NWDGAFQWSA-N 1 0 235.331 0.888 20 30 BCEDRO CCC1(C[NH2+]C[C@@H](O)CN(C)CCC#N)CC1 ZINC000519597476 386499281 /nfs/dbraw/zinc/49/92/81/386499281.db2.gz OIJVEDUMIMMDHV-GFCCVEGCSA-N 1 0 239.363 0.973 20 30 BCEDRO C=CCSCCNC(=O)N[C@H](C)C[NH3+] ZINC000417329273 386499677 /nfs/dbraw/zinc/49/96/77/386499677.db2.gz HUHXFZXMJGCXPE-MRVPVSSYSA-N 1 0 217.338 0.552 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH+]1CCC(CO)CC1 ZINC000046091386 386509109 /nfs/dbraw/zinc/50/91/09/386509109.db2.gz RXVLLOKMVWCAPM-JTQLQIEISA-N 1 0 226.320 0.381 20 30 BCEDRO CCOC[C@H](O)C[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000336757229 386582272 /nfs/dbraw/zinc/58/22/72/386582272.db2.gz JBSCGWDRSZWCIS-HBNTYKKESA-N 1 0 212.293 0.666 20 30 BCEDRO Cc1cc(NC[C@@](C)(O)C[NH+](C)C)c(C#N)cn1 ZINC000399015624 386550014 /nfs/dbraw/zinc/55/00/14/386550014.db2.gz BWZRXXYYBCWKDF-CYBMUJFWSA-N 1 0 248.330 0.408 20 30 BCEDRO Cc1cc(C#N)cc(N2C[C@H]3C[NH2+]C[C@H]3C2)n1 ZINC000161768637 386569612 /nfs/dbraw/zinc/56/96/12/386569612.db2.gz VKGJXBRLXLOUPI-TXEJJXNPSA-N 1 0 228.299 0.917 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@@H](n2cc(CO)nn2)C1 ZINC000292992728 386648498 /nfs/dbraw/zinc/64/84/98/386648498.db2.gz OCNBRKMDJABIMB-GFCCVEGCSA-N 1 0 236.319 0.983 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CCC[C@H](CO)C1 ZINC000048776221 386601154 /nfs/dbraw/zinc/60/11/54/386601154.db2.gz FUGDTNOOFBIZME-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C[NH2+]CCCNC(=O)NCc1ccc(C#N)cc1 ZINC000417727020 386602209 /nfs/dbraw/zinc/60/22/09/386602209.db2.gz QQUZKSJWUJGBIS-UHFFFAOYSA-N 1 0 246.314 0.967 20 30 BCEDRO C[C@H](NC(=O)NCC[NH+]1CCC1)[C@@H]1CCOC1 ZINC000328699628 386613799 /nfs/dbraw/zinc/61/37/99/386613799.db2.gz IGQGMGJJAMOSJE-WDEREUQCSA-N 1 0 241.335 0.621 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+][C@H](CO)C(C)(C)C)C1=O ZINC000330389175 386696802 /nfs/dbraw/zinc/69/68/02/386696802.db2.gz NSEAGSCYYGYATI-GHMZBOCLSA-N 1 0 240.347 0.770 20 30 BCEDRO C[C@@H](CNC(=O)c1ccc(C#N)nc1)[NH+](C)C ZINC000359842712 386704718 /nfs/dbraw/zinc/70/47/18/386704718.db2.gz BXYJLKWDABEJRX-VIFPVBQESA-N 1 0 232.287 0.633 20 30 BCEDRO C=CCN1CC[C@H]([NH2+]C(C)(C)C(C)(C)O)C1=O ZINC000330405799 386705045 /nfs/dbraw/zinc/70/50/45/386705045.db2.gz WHPOIDVNBBBOII-JTQLQIEISA-N 1 0 240.347 0.912 20 30 BCEDRO C=CCOCC[N@@H+]1CC[C@H](n2cncn2)C1 ZINC000645122475 386732203 /nfs/dbraw/zinc/73/22/03/386732203.db2.gz NNHRVAOFRMEKLI-NSHDSACASA-N 1 0 222.292 0.728 20 30 BCEDRO CC[N@@H+]1CCC[C@H](NC(=O)NC[C@H](C)CO)C1 ZINC000330481801 386733869 /nfs/dbraw/zinc/73/38/69/386733869.db2.gz QJVKKTWWESTECZ-QWRGUYRKSA-N 1 0 243.351 0.603 20 30 BCEDRO C=C(C)CS(=O)(=O)NC[C@H]1CCC[N@H+]1CC ZINC000192002035 386729510 /nfs/dbraw/zinc/72/95/10/386729510.db2.gz CDCSJVWPGHUIFN-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO N#CCCN1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000330510384 386745558 /nfs/dbraw/zinc/74/55/58/386745558.db2.gz ATCYGEKCBKGTGT-NSHDSACASA-N 1 0 235.291 0.019 20 30 BCEDRO COc1ccc(C[NH2+]CC(=O)N(C)C)cc1C#N ZINC000087822913 386752186 /nfs/dbraw/zinc/75/21/86/386752186.db2.gz OFXOBSXLNZQNBW-UHFFFAOYSA-N 1 0 247.298 0.745 20 30 BCEDRO C=CCCOCCNC(=O)N[C@@H](C)CC[NH3+] ZINC000417955025 386762875 /nfs/dbraw/zinc/76/28/75/386762875.db2.gz GJLHLDPEHUWPRL-JTQLQIEISA-N 1 0 229.324 0.616 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@H]([C@H](C)[NH3+])C1 ZINC000166223989 386765188 /nfs/dbraw/zinc/76/51/88/386765188.db2.gz IKNWPIRIOVCHPZ-DCAQKATOSA-N 1 0 225.336 0.346 20 30 BCEDRO C[C@@H](C[NH+]1CCOCC1)C(=O)N(C)CCC#N ZINC000330566861 386791151 /nfs/dbraw/zinc/79/11/51/386791151.db2.gz LCYZENKHQNXAFT-NSHDSACASA-N 1 0 239.319 0.327 20 30 BCEDRO CC(C)(C#N)CNC(=O)NCCC[NH2+]C1CC1 ZINC000417990294 386794479 /nfs/dbraw/zinc/79/44/79/386794479.db2.gz KJNQSLJZSGYHCW-UHFFFAOYSA-N 1 0 238.335 0.977 20 30 BCEDRO C=C(C)CS(=O)(=O)N[C@H](C)C[NH+](C)C ZINC000344895213 386795066 /nfs/dbraw/zinc/79/50/66/386795066.db2.gz DEXGMECLINJRKL-SECBINFHSA-N 1 0 220.338 0.432 20 30 BCEDRO C[N@H+](CC(=O)NCCC#N)[C@H]1CCSC1 ZINC000330526626 386773565 /nfs/dbraw/zinc/77/35/65/386773565.db2.gz QSHOIKVYRNGMDP-VIFPVBQESA-N 1 0 227.333 0.454 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@@](O)(Cn2ccnn2)C1 ZINC000330526250 386773892 /nfs/dbraw/zinc/77/38/92/386773892.db2.gz LTIGVXHBPXLACQ-LBPRGKRZSA-N 1 0 236.319 0.681 20 30 BCEDRO N#CCCCC[N@H+]1CCC[C@@H](S(N)(=O)=O)C1 ZINC000330656744 386813777 /nfs/dbraw/zinc/81/37/77/386813777.db2.gz QUDFGDYZJHBSPU-SNVBAGLBSA-N 1 0 245.348 0.433 20 30 BCEDRO COc1cc(C(=O)N[C@@H](C)C[NH+](C)C)on1 ZINC000330685518 386829947 /nfs/dbraw/zinc/82/99/47/386829947.db2.gz URZGTFMITWCQLC-ZETCQYMHSA-N 1 0 227.264 0.938 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000417880575 386841658 /nfs/dbraw/zinc/84/16/58/386841658.db2.gz DDLLDCGJPCNLSI-SNVBAGLBSA-N 1 0 227.308 0.240 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)[C@@H]1CCC[N@H+]1C ZINC000330707309 386861816 /nfs/dbraw/zinc/86/18/16/386861816.db2.gz PKFRZOZBSOPFLJ-QWRGUYRKSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(C)COCCNC(=O)N1CC[C@H]([NH3+])C1 ZINC000417882940 386895103 /nfs/dbraw/zinc/89/51/03/386895103.db2.gz GRVXZTOWHUZNGP-JTQLQIEISA-N 1 0 227.308 0.322 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]2[NH2+]CC[C@@H]2C1 ZINC000335769823 386915965 /nfs/dbraw/zinc/91/59/65/386915965.db2.gz SGBFRNYIMWWJPQ-GHMZBOCLSA-N 1 0 244.360 0.576 20 30 BCEDRO CC(C)[NH+]1CCN(C(=O)NC[C@H](C)C#N)CC1 ZINC000334863011 386917945 /nfs/dbraw/zinc/91/79/45/386917945.db2.gz SRIIKWVUJRCNQS-LLVKDONJSA-N 1 0 238.335 0.882 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]1[NH2+]CCN1C(=O)CNC1=O ZINC000330816222 386896934 /nfs/dbraw/zinc/89/69/34/386896934.db2.gz GFMHECPBURKLKB-IUCAKERBSA-N 1 0 236.275 0.024 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](C(=O)N2CCCC2)C1 ZINC000335761784 386900574 /nfs/dbraw/zinc/90/05/74/386900574.db2.gz CJTSUOOETNSMHF-LBPRGKRZSA-N 1 0 220.316 0.954 20 30 BCEDRO C=C(C)COCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000417887384 386944134 /nfs/dbraw/zinc/94/41/34/386944134.db2.gz KOSKAYZCCXMANN-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@H]1CCC[NH2+]C1 ZINC000417887838 386945377 /nfs/dbraw/zinc/94/53/77/386945377.db2.gz LSHQFCRUBCIPEI-NSHDSACASA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCNC(=O)N1CC[N@@H+](C)CC[C@H]1C ZINC000334888859 386962552 /nfs/dbraw/zinc/96/25/52/386962552.db2.gz FYEXTRYXAAVHNF-SNVBAGLBSA-N 1 0 211.309 0.908 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@@H](C)C[NH3+] ZINC000417894721 386995600 /nfs/dbraw/zinc/99/56/00/386995600.db2.gz TXPLSSFZNNIBMS-VIFPVBQESA-N 1 0 215.297 0.226 20 30 BCEDRO C=CCn1cc(C(=O)N2C[C@H](C)[NH2+]C[C@H]2C)nn1 ZINC000648108016 387052793 /nfs/dbraw/zinc/05/27/93/387052793.db2.gz MYNRSNHNZFINPH-VHSXEESVSA-N 1 0 249.318 0.287 20 30 BCEDRO CC#CCCNC(=O)NCC1([NH3+])CCC1 ZINC000418036138 387061973 /nfs/dbraw/zinc/06/19/73/387061973.db2.gz VVTIXUHKPXYSJN-UHFFFAOYSA-N 1 0 209.293 0.580 20 30 BCEDRO CC#CCCNC(=O)N[C@H]1CC[NH2+][C@H](C)C1 ZINC000418036085 387062939 /nfs/dbraw/zinc/06/29/39/387062939.db2.gz VNCORNMEFUCYRZ-MNOVXSKESA-N 1 0 223.320 0.840 20 30 BCEDRO C=C(C)COCCNC(=O)N[C@H](C)[C@H](C)[NH3+] ZINC000417897216 387013659 /nfs/dbraw/zinc/01/36/59/387013659.db2.gz XKXXGQDXYYCEIF-VHSXEESVSA-N 1 0 229.324 0.614 20 30 BCEDRO CC#CCCNC(=O)NC[C@@H]1CCC[NH2+]C1 ZINC000418024364 387023810 /nfs/dbraw/zinc/02/38/10/387023810.db2.gz DJHCOQQKLMGYFH-LLVKDONJSA-N 1 0 223.320 0.699 20 30 BCEDRO Cc1cc(NCC(=O)NC(C)C)c(C#N)cn1 ZINC000399584311 387026285 /nfs/dbraw/zinc/02/62/85/387026285.db2.gz MTODKDRAGWGMEB-UHFFFAOYSA-N 1 0 232.287 0.620 20 30 BCEDRO C[C@H]1CN(C(=O)NCCCC#N)[C@@H](C)C[NH2+]1 ZINC000334951006 387113954 /nfs/dbraw/zinc/11/39/54/387113954.db2.gz PGKNABPCMCTQFQ-UWVGGRQHSA-N 1 0 224.308 0.682 20 30 BCEDRO C=C(C)[C@H]1OCC[C@@H]1CNC(=O)NCC[NH3+] ZINC000418130174 387159672 /nfs/dbraw/zinc/15/96/72/387159672.db2.gz FNVDGLGZRDDDFD-NXEZZACHSA-N 1 0 227.308 0.226 20 30 BCEDRO N#CCC1(CNC(=O)N[C@@H]2CCC[NH2+]C2)CC1 ZINC000418132716 387162085 /nfs/dbraw/zinc/16/20/85/387162085.db2.gz ZMKJSZAPPASHDB-SNVBAGLBSA-N 1 0 236.319 0.731 20 30 BCEDRO C=CC[C@H](CC)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418140968 387164367 /nfs/dbraw/zinc/16/43/67/387164367.db2.gz IKSYUMPIPCNXKB-WDEREUQCSA-N 1 0 241.335 0.710 20 30 BCEDRO C=CC[C@@H](CC)NC(=O)N1CCO[C@H](C[NH3+])C1 ZINC000418140960 387165150 /nfs/dbraw/zinc/16/51/50/387165150.db2.gz IKSYUMPIPCNXKB-GHMZBOCLSA-N 1 0 241.335 0.710 20 30 BCEDRO C[NH2+]CCNC(=O)NCC#Cc1cccc(F)c1 ZINC000418151995 387182019 /nfs/dbraw/zinc/18/20/19/387182019.db2.gz GNCZUNWQRCCCAE-UHFFFAOYSA-N 1 0 249.289 0.696 20 30 BCEDRO C=CCCOCCNC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000612896902 387211070 /nfs/dbraw/zinc/21/10/70/387211070.db2.gz WTEOZIWPVFBLIX-GFCCVEGCSA-N 1 0 241.335 0.630 20 30 BCEDRO CC[NH+](CC)CCN1CCCC[C@@H]1/C(N)=N/O ZINC000230059665 387228618 /nfs/dbraw/zinc/22/86/18/387228618.db2.gz RKYCEIJMZUEUNW-LLVKDONJSA-N 1 0 242.367 0.929 20 30 BCEDRO C=CCC(C)(C)CNC(=O)N(CC[NH3+])CCO ZINC000418223827 387228747 /nfs/dbraw/zinc/22/87/47/387228747.db2.gz ZIPRNMABAHLGMJ-UHFFFAOYSA-N 1 0 243.351 0.551 20 30 BCEDRO CC(C)OC[C@H](O)C[NH2+]C[C@H](C)C#N ZINC000572114535 387238534 /nfs/dbraw/zinc/23/85/34/387238534.db2.gz ZVSMDGZYWVYZRJ-NXEZZACHSA-N 1 0 200.282 0.522 20 30 BCEDRO CC(C)[C@@H]1CN(C(=O)[C@@H](C)C#N)CC[N@@H+]1C ZINC000336419586 387245392 /nfs/dbraw/zinc/24/53/92/387245392.db2.gz NFCDNUADGQSDDY-QWRGUYRKSA-N 1 0 223.320 0.945 20 30 BCEDRO Cc1ccnc(NC[C@](C)(O)C[NH+](C)C)c1C#N ZINC000230083534 387260616 /nfs/dbraw/zinc/26/06/16/387260616.db2.gz ZPMVOCXZWAIRPO-ZDUSSCGKSA-N 1 0 248.330 0.986 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@H](O)C(F)(F)F ZINC000320397397 387266360 /nfs/dbraw/zinc/26/63/60/387266360.db2.gz OCBIJIAZHPDVQR-BQBZGAKWSA-N 1 0 213.199 0.436 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)CC1(O)CCOCC1 ZINC000189783327 387289131 /nfs/dbraw/zinc/28/91/31/387289131.db2.gz BDGDFDDQAFPZEL-LBPRGKRZSA-N 1 0 243.347 0.787 20 30 BCEDRO COC(=O)N1CC([NH2+]Cc2cc(C#N)n(C)c2)C1 ZINC000191367011 387384247 /nfs/dbraw/zinc/38/42/47/387384247.db2.gz XIIRAMKTCZMGRR-UHFFFAOYSA-N 1 0 248.286 0.437 20 30 BCEDRO Cn1cc(C[N@@H+]2CC[C@H](C(N)=O)C2)cc1C#N ZINC000191157764 387349842 /nfs/dbraw/zinc/34/98/42/387349842.db2.gz KUALVWWQESUEQC-JTQLQIEISA-N 1 0 232.287 0.204 20 30 BCEDRO C=CCN(C(=O)C[NH2+]C[C@@H]1CCCO1)C1CC1 ZINC000423887552 387445226 /nfs/dbraw/zinc/44/52/26/387445226.db2.gz GTQHPEFPDPXIQB-LBPRGKRZSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[C@H](CO)NC(=O)N[C@@H](C)CC[NH+](C)C ZINC000273208348 387456714 /nfs/dbraw/zinc/45/67/14/387456714.db2.gz ACGHTLWMYVHCHY-WDEREUQCSA-N 1 0 243.351 0.563 20 30 BCEDRO C=C1CC[NH+](CCN2C(=O)CCC2=O)CC1 ZINC000264448599 387390698 /nfs/dbraw/zinc/39/06/98/387390698.db2.gz HKRYCIJEDOFOME-UHFFFAOYSA-N 1 0 222.288 0.787 20 30 BCEDRO Cn1cc(C[N@@H+]2CC[C@](C)(O)C2)cc1C#N ZINC000191430522 387397575 /nfs/dbraw/zinc/39/75/75/387397575.db2.gz WQPYZJXTKGLOEV-LBPRGKRZSA-N 1 0 219.288 0.853 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)Cn1cccn1 ZINC000267310305 387409679 /nfs/dbraw/zinc/40/96/79/387409679.db2.gz MKDNTVKEWZUHIU-NSHDSACASA-N 1 0 207.277 0.199 20 30 BCEDRO C[N@@H+]1CC[C@@H](C(=O)NCC2(C#N)CC2)C1 ZINC000515682139 387412799 /nfs/dbraw/zinc/41/27/99/387412799.db2.gz TXYNBGPEZJYKLP-SECBINFHSA-N 1 0 207.277 0.358 20 30 BCEDRO C[C@H](CCC#N)[N@@H+]1CCc2nn(C)c(=O)cc2C1 ZINC000515655920 387413538 /nfs/dbraw/zinc/41/35/38/387413538.db2.gz WPUVNOPUHGZXLQ-SNVBAGLBSA-N 1 0 246.314 0.831 20 30 BCEDRO C[C@H]1CC[N@H+](CC(=O)N[C@H](C#N)C2CC2)C1 ZINC000515667559 387415972 /nfs/dbraw/zinc/41/59/72/387415972.db2.gz NEEYQCMAWALSGT-GXSJLCMTSA-N 1 0 221.304 0.747 20 30 BCEDRO C=CCn1cc(C(=O)N[C@H]2CC[NH2+]C[C@@H]2C)nn1 ZINC000648124082 387421359 /nfs/dbraw/zinc/42/13/59/387421359.db2.gz QCZMCKJDWHKJAF-UWVGGRQHSA-N 1 0 249.318 0.192 20 30 BCEDRO CCCCOCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424095663 387497123 /nfs/dbraw/zinc/49/71/23/387497123.db2.gz AVKFJOHRWSTWCD-NSHDSACASA-N 1 0 241.335 0.940 20 30 BCEDRO Cc1n[nH]c(CC[NH2+]Cc2nc(C#N)cs2)n1 ZINC000352795394 387514155 /nfs/dbraw/zinc/51/41/55/387514155.db2.gz JHWCDXSLDRAOAL-UHFFFAOYSA-N 1 0 248.315 0.774 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@@H]([NH3+])C(C)C ZINC000417967723 387519187 /nfs/dbraw/zinc/51/91/87/387519187.db2.gz VYPBVDJIVQFWOQ-LLVKDONJSA-N 1 0 243.351 0.862 20 30 BCEDRO CC#CC[NH2+][C@H]1CCCC[C@H]1n1cc(CO)nn1 ZINC000276286923 387522487 /nfs/dbraw/zinc/52/24/87/387522487.db2.gz GYBVBVJWLKMFRT-QWHCGFSZSA-N 1 0 248.330 0.867 20 30 BCEDRO CC#CC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000277322545 387533873 /nfs/dbraw/zinc/53/38/73/387533873.db2.gz FYJULZLBMYOOJJ-GHMZBOCLSA-N 1 0 206.289 0.753 20 30 BCEDRO CC#CC(=O)N1CC[NH+](CC2CC2)CC1 ZINC000277546042 387536100 /nfs/dbraw/zinc/53/61/00/387536100.db2.gz VTBRTNJRDFZNMI-UHFFFAOYSA-N 1 0 206.289 0.564 20 30 BCEDRO C=C(C)C[C@H](C)C(=O)N1CCO[C@@H](C[NH3+])C1 ZINC000516190872 387471047 /nfs/dbraw/zinc/47/10/47/387471047.db2.gz VOQNIWJGNJECIF-QWRGUYRKSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCCn1cc(C(=O)NCCC[NH2+]C)nn1 ZINC000424055798 387472335 /nfs/dbraw/zinc/47/23/35/387472335.db2.gz FMTSEOVWQIVIRZ-UHFFFAOYSA-N 1 0 237.307 0.194 20 30 BCEDRO C=CCC1(C(=O)N[C@H]2CC[NH2+]C2)CCOCC1 ZINC000424058580 387472852 /nfs/dbraw/zinc/47/28/52/387472852.db2.gz LNCXSQWCLIRYIK-NSHDSACASA-N 1 0 238.331 0.837 20 30 BCEDRO C[C@H]1CN(C(=O)[C@H]([NH3+])CCCC#N)CCO1 ZINC000424059961 387473835 /nfs/dbraw/zinc/47/38/35/387473835.db2.gz BZBBTVQRZSHSBG-VHSXEESVSA-N 1 0 225.292 0.255 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N[C@H]1CCC[NH2+]C1 ZINC000424062866 387474925 /nfs/dbraw/zinc/47/49/25/387474925.db2.gz WGVWTVNYROHHLB-TUAOUCFPSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NC[C@@H]1CCC[NH2+]1 ZINC000424074521 387478167 /nfs/dbraw/zinc/47/81/67/387478167.db2.gz HLVFKTRFGPXDCW-TUAOUCFPSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)N1CC[NH2+][C@@H](C)C1 ZINC000424076485 387478946 /nfs/dbraw/zinc/47/89/46/387478946.db2.gz MBVZZBLVJWNLDU-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO CC[C@H](NC(=O)[C@@H]([NH3+])CCCC#N)C(=O)OC ZINC000424077287 387480297 /nfs/dbraw/zinc/48/02/97/387480297.db2.gz BFSDUZRKWIQKAW-IUCAKERBSA-N 1 0 241.291 0.075 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1C(=O)NCC(C)(C)[NH3+] ZINC000424082824 387482207 /nfs/dbraw/zinc/48/22/07/387482207.db2.gz WUVSKWOUUCSPLJ-ZJUUUORDSA-N 1 0 226.320 0.821 20 30 BCEDRO CSCCCNC(=O)[C@@H]([NH3+])CCCC#N ZINC000424081907 387486307 /nfs/dbraw/zinc/48/63/07/387486307.db2.gz LBPDXSNSCZKVNJ-VIFPVBQESA-N 1 0 229.349 0.877 20 30 BCEDRO C#CCNC(=O)c1csc(CC[NH3+])n1 ZINC000085548093 387489701 /nfs/dbraw/zinc/48/97/01/387489701.db2.gz PHPSYTNFHSIPNE-UHFFFAOYSA-N 1 0 209.274 0.007 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CC(C)(C)OC ZINC000327972762 387600526 /nfs/dbraw/zinc/60/05/26/387600526.db2.gz GPNFLUJTCJLJCN-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO CC(C)(C#N)CNC(=O)NC(C)(C)CC[NH3+] ZINC000422613929 387606676 /nfs/dbraw/zinc/60/66/76/387606676.db2.gz DPQSOSIARPNRAH-UHFFFAOYSA-N 1 0 226.324 0.963 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N(C)C[C@@H]1CCC[N@@H+]1C ZINC000422041657 387547336 /nfs/dbraw/zinc/54/73/36/387547336.db2.gz URCZXPZIPHZHGH-WCQYABFASA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCOc1cccc(C[NH+]2C[C@H](O)[C@@H](O)C2)c1 ZINC000278390270 387553523 /nfs/dbraw/zinc/55/35/23/387553523.db2.gz MWKGZOZEONFCNH-KBPBESRZSA-N 1 0 249.310 0.789 20 30 BCEDRO CC#CC(=O)N(C)[C@@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000278749825 387553622 /nfs/dbraw/zinc/55/36/22/387553622.db2.gz FEDWWWMHRGCNAU-WDEREUQCSA-N 1 0 208.305 0.951 20 30 BCEDRO C=C[C@](C)(O)CC(=O)N[C@@H](C)CC[NH+](C)C ZINC000278969043 387559582 /nfs/dbraw/zinc/55/95/82/387559582.db2.gz XKEVPLZZLPANDC-JQWIXIFHSA-N 1 0 228.336 0.770 20 30 BCEDRO C#Cc1ccc(C[N@H+]2CC[C@H](C(N)=O)C2)cc1 ZINC000279085949 387560982 /nfs/dbraw/zinc/56/09/82/387560982.db2.gz SZKVQLCEYDBAHH-ZDUSSCGKSA-N 1 0 228.295 0.975 20 30 BCEDRO C#CCN1CC[C@@H]([NH+]2CCN(C)CC2)[C@@H](C)C1 ZINC000362075065 387569435 /nfs/dbraw/zinc/56/94/35/387569435.db2.gz CGPKROBTJWRGMI-UONOGXRCSA-N 1 0 235.375 0.577 20 30 BCEDRO CCc1cc(NC(=O)[C@@H]([NH3+])CCCC#N)n(C)n1 ZINC000424132718 387637712 /nfs/dbraw/zinc/63/77/12/387637712.db2.gz WRVLENLNQIQFDT-JTQLQIEISA-N 1 0 249.318 0.942 20 30 BCEDRO C[C@]1(CNC(=O)[C@@H]([NH3+])CCCC#N)CCCO1 ZINC000424134411 387639886 /nfs/dbraw/zinc/63/98/86/387639886.db2.gz IBRBGXOPJAAOJW-CMPLNLGQSA-N 1 0 239.319 0.693 20 30 BCEDRO C[C@@H](CNC(=O)c1cc(C#N)ccn1)C[NH+](C)C ZINC000293833946 387643618 /nfs/dbraw/zinc/64/36/18/387643618.db2.gz CYYVQOADBAQZEO-JTQLQIEISA-N 1 0 246.314 0.881 20 30 BCEDRO CC(C)[C@@H](CCO)NC(=O)[C@H]([NH3+])CCCC#N ZINC000424140274 387690125 /nfs/dbraw/zinc/69/01/25/387690125.db2.gz NYNZWQXOKKXYSZ-GHMZBOCLSA-N 1 0 241.335 0.531 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000431826015 387732605 /nfs/dbraw/zinc/73/26/05/387732605.db2.gz YOCAFEFCRRCQPH-WCQYABFASA-N 1 0 240.347 0.724 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H](CC[NH3+])C1 ZINC000442623842 387808805 /nfs/dbraw/zinc/80/88/05/387808805.db2.gz SPBLCCKLYJLAFZ-NSHDSACASA-N 1 0 226.320 0.776 20 30 BCEDRO C[C@H](CN1CCOCC1)[NH2+][C@H]1CC[C@H](C#N)C1 ZINC000442723032 387830601 /nfs/dbraw/zinc/83/06/01/387830601.db2.gz WOBCZPVINRZXPZ-AGIUHOORSA-N 1 0 237.347 0.989 20 30 BCEDRO C[C@H]([NH2+]CCn1cnc(C#N)n1)[C@H]1CCCOC1 ZINC000353953883 387839304 /nfs/dbraw/zinc/83/93/04/387839304.db2.gz GSSOLENOVYFWGF-QWRGUYRKSA-N 1 0 249.318 0.554 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](C)[C@@H](C)OC ZINC000328076346 387864905 /nfs/dbraw/zinc/86/49/05/387864905.db2.gz FUACYFPUQZUUBF-VXGBXAGGSA-N 1 0 212.337 0.955 20 30 BCEDRO C#C[C@@H](NC(=[NH2+])N1CCOCC1)C(C)C ZINC000262246364 533220141 /nfs/dbraw/zinc/22/01/41/533220141.db2.gz YQQHYMTZZORZPI-SNVBAGLBSA-N 1 0 209.293 0.291 20 30 BCEDRO CC#CC[NH+]1CCC(CC(=O)NC)CC1 ZINC000175024881 387905147 /nfs/dbraw/zinc/90/51/47/387905147.db2.gz ZBOGPCPUEYFDQZ-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H]1CC[C@@H]([NH3+])C1 ZINC000424213342 387931373 /nfs/dbraw/zinc/93/13/73/387931373.db2.gz TYIMLPPDRYRUNQ-YFKTTZPYSA-N 1 0 238.331 0.821 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]C1 ZINC000424212659 387931595 /nfs/dbraw/zinc/93/15/95/387931595.db2.gz PZAPAXRKJSNQIE-TUAOUCFPSA-N 1 0 238.331 0.693 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C2CC[NH2+]CC2)C1 ZINC000424213627 387931661 /nfs/dbraw/zinc/93/16/61/387931661.db2.gz AHEWVEZVOKLNII-GXSJLCMTSA-N 1 0 221.304 0.794 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)CC[C@@H](C)[NH3+] ZINC000424214650 387932572 /nfs/dbraw/zinc/93/25/72/387932572.db2.gz XSTUHBKNVWSSTE-VWYCJHECSA-N 1 0 226.320 0.821 20 30 BCEDRO C[C@]1(C(=O)N[C@@H]2CC[C@H](C#N)C2)CC[NH2+]C1 ZINC000424219046 387936155 /nfs/dbraw/zinc/93/61/55/387936155.db2.gz YYBTZJPFFUUMOD-UMNHJUIQSA-N 1 0 221.304 0.794 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@H](C)C[NH3+] ZINC000424203438 387928037 /nfs/dbraw/zinc/92/80/37/387928037.db2.gz BWNBPTDFOGATRB-UTLUCORTSA-N 1 0 212.293 0.289 20 30 BCEDRO CC(C)[C@@H]1CCC[N@H+](CC(=O)NCC#N)C1 ZINC000444772704 387928455 /nfs/dbraw/zinc/92/84/55/387928455.db2.gz OHPDZHSFPXKEMN-LLVKDONJSA-N 1 0 223.320 0.994 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H]1CCC[NH2+]1 ZINC000424203515 387929040 /nfs/dbraw/zinc/92/90/40/387929040.db2.gz CBNPBNQSHFOLNV-DCAQKATOSA-N 1 0 224.304 0.446 20 30 BCEDRO C[C@@H]1C[C@]1(C#N)C(=O)NCC[NH+]1CCCC1 ZINC000448608414 387952601 /nfs/dbraw/zinc/95/26/01/387952601.db2.gz WBZIBFYMSADXJX-ZYHUDNBSSA-N 1 0 221.304 0.748 20 30 BCEDRO C=CCCN1C[C@@H](c2cnn(C)c2)[C@H]([NH3+])C1 ZINC000424293534 387954101 /nfs/dbraw/zinc/95/41/01/387954101.db2.gz OABHWIFYAIRMIP-NWDGAFQWSA-N 1 0 220.320 0.723 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H](C)C[C@@H]1COCCN1 ZINC000423160248 387940536 /nfs/dbraw/zinc/94/05/36/387940536.db2.gz ZJWQWKDRWXVOGY-LPWJVIDDSA-N 1 0 240.347 0.687 20 30 BCEDRO C[C@@H]1C[N@H+](C)CCN1CCOCCC#N ZINC000338993700 135049911 /nfs/dbraw/zinc/04/99/11/135049911.db2.gz XTVLYZPRENOVDD-LLVKDONJSA-N 1 0 211.309 0.553 20 30 BCEDRO C=CCn1cc(CN[C@@H]2CCC[C@H]2[NH3+])nn1 ZINC000424369502 387993449 /nfs/dbraw/zinc/99/34/49/387993449.db2.gz CMQLFYAGQOSVGB-GHMZBOCLSA-N 1 0 221.308 0.434 20 30 BCEDRO C[C@H](C[NH3+])N(C)C(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424471245 388013968 /nfs/dbraw/zinc/01/39/68/388013968.db2.gz SAVOMHVZXFEXEM-KXUCPTDWSA-N 1 0 224.308 0.667 20 30 BCEDRO C[N@@H+]1CCC[C@H](CNC(=O)CSCC#N)C1 ZINC000108339903 388016272 /nfs/dbraw/zinc/01/62/72/388016272.db2.gz DLJKLIWEKHMBNW-SNVBAGLBSA-N 1 0 241.360 0.701 20 30 BCEDRO C[NH2+]C[C@@H](C)CNC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424476995 388034356 /nfs/dbraw/zinc/03/43/56/388034356.db2.gz KUVNHLFNAOVFMJ-OUAUKWLOSA-N 1 0 238.335 0.833 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)N[C@@H]1CC[C@H](C#N)C1 ZINC000424479461 388036065 /nfs/dbraw/zinc/03/60/65/388036065.db2.gz OEMOQDXYZMSSGC-HRDYMLBCSA-N 1 0 210.281 0.325 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)NCC[NH2+]C ZINC000424481160 388036580 /nfs/dbraw/zinc/03/65/80/388036580.db2.gz QTCSVCSXKVWWTO-UWVGGRQHSA-N 1 0 227.308 0.096 20 30 BCEDRO CN1CC[C@](O)(C[NH2+][C@H]2CCC[C@@H](C#N)C2)C1 ZINC000446756456 388037885 /nfs/dbraw/zinc/03/78/85/388037885.db2.gz IPLLDMSTYDCCBA-AGIUHOORSA-N 1 0 237.347 0.725 20 30 BCEDRO Cc1ncsc1CNC1=[NH+]C[C@@H](C)N1 ZINC000261527467 135152064 /nfs/dbraw/zinc/15/20/64/135152064.db2.gz BMKPYLRVFPFTKC-ZCFIWIBFSA-N 1 0 210.306 0.889 20 30 BCEDRO C=CCC[N@@H+](C)C[C@H](O)CO[C@@H](C)COC ZINC000447272786 388059101 /nfs/dbraw/zinc/05/91/01/388059101.db2.gz XUXONFMCUBNDJR-RYUDHWBXSA-N 1 0 231.336 0.907 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H](O)CO[C@@H](C)COC ZINC000447269233 388060077 /nfs/dbraw/zinc/06/00/77/388060077.db2.gz AKTTUSRPGNNLGE-WDEREUQCSA-N 1 0 217.309 0.517 20 30 BCEDRO N#CC1(C(=O)NCC[NH+]2CCCC2)CCC1 ZINC000083795520 388061810 /nfs/dbraw/zinc/06/18/10/388061810.db2.gz FNPKHZQPJPXEAD-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C#CCN1CCN(C(=O)c2ccc(O)cc2)CC1 ZINC000085785970 388095219 /nfs/dbraw/zinc/09/52/19/388095219.db2.gz LWDNHXHVOXBHGK-UHFFFAOYSA-N 1 0 244.294 0.783 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000453322903 388046165 /nfs/dbraw/zinc/04/61/65/388046165.db2.gz AGJXBMTUNPRDIK-USZNOCQGSA-N 1 0 210.321 0.870 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@H]2C[NH2+]C[C@H]2C1 ZINC000195302930 388158060 /nfs/dbraw/zinc/15/80/60/388158060.db2.gz UBLLFUIBNQEYON-AOOOYVTPSA-N 1 0 230.333 0.044 20 30 BCEDRO N#Cc1cncc(N2CC[C@@H]3CC[NH2+][C@@H]3C2)n1 ZINC000592466620 388159577 /nfs/dbraw/zinc/15/95/77/388159577.db2.gz SUGLUEBGWWMHJO-GXSJLCMTSA-N 1 0 229.287 0.536 20 30 BCEDRO C=CCC1(C(=O)N[C@H](CO)C[NH+](C)C)CCC1 ZINC000646210975 388165550 /nfs/dbraw/zinc/16/55/50/388165550.db2.gz NTOFCLBKMDAGCQ-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1CC[C@@H]2OCC[C@@H]2C1 ZINC000645991602 388121313 /nfs/dbraw/zinc/12/13/13/388121313.db2.gz PJWDUFINFFDWKW-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO C=C(C)COCCNC(=O)NC[C@H](C)[NH+](C)C ZINC000454694408 388129885 /nfs/dbraw/zinc/12/98/85/388129885.db2.gz POKHQZXOEMVZDR-NSHDSACASA-N 1 0 243.351 0.828 20 30 BCEDRO C[C@H](CO)N(C)Cc1ccncc1C#N ZINC000592085013 388150682 /nfs/dbraw/zinc/15/06/82/388150682.db2.gz AHTKFACJSFGKGG-SECBINFHSA-N 1 0 205.261 0.766 20 30 BCEDRO C#CCN(CC#CC)CCOCCOC ZINC000490760831 388252731 /nfs/dbraw/zinc/25/27/31/388252731.db2.gz PKXOMNQTUPPUKM-UHFFFAOYSA-N 1 0 209.289 0.608 20 30 BCEDRO C#CCNC(=O)N1C[C@@H](C)[N@H+](CC)C[C@@H]1C ZINC000490893155 388258330 /nfs/dbraw/zinc/25/83/30/388258330.db2.gz RPRYTYBAQXBCQQ-MNOVXSKESA-N 1 0 223.320 0.744 20 30 BCEDRO C=CCCCS(=O)(=O)N[C@H]1CC[N@@H+](C)C1 ZINC000489096767 388204176 /nfs/dbraw/zinc/20/41/76/388204176.db2.gz CLVCQPYISXEONB-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@@H+](C)[C@@H]1CC1(C)C ZINC000489459431 388216387 /nfs/dbraw/zinc/21/63/87/388216387.db2.gz SZXJIUAZMDYWJK-SECBINFHSA-N 1 0 239.319 0.729 20 30 BCEDRO C=C[C@@H]1CCCC[N@H+]1CCCS(=O)(=O)NC ZINC000489510212 388219421 /nfs/dbraw/zinc/21/94/21/388219421.db2.gz LPCPELYTUQCWOL-LLVKDONJSA-N 1 0 246.376 0.966 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]Cc1cnc(N(C)C)nc1 ZINC000449517510 388222754 /nfs/dbraw/zinc/22/27/54/388222754.db2.gz GEXVIEVRHKKKHB-NEPJUHHUSA-N 1 0 248.330 0.976 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)COCC(=O)OC ZINC000449520419 388223165 /nfs/dbraw/zinc/22/31/65/388223165.db2.gz PKGAOBQFFBMMBJ-AXFHLTTASA-N 1 0 243.303 0.498 20 30 BCEDRO C=C(C)CS(=O)(=O)NC[C@@H](C)C[NH+](C)C ZINC000490043448 388232274 /nfs/dbraw/zinc/23/22/74/388232274.db2.gz BZLHVKAFAQPHFP-SNVBAGLBSA-N 1 0 234.365 0.680 20 30 BCEDRO C=C(C)CS(=O)(=O)NC[C@H](C)C[NH+](C)C ZINC000490043446 388232418 /nfs/dbraw/zinc/23/24/18/388232418.db2.gz BZLHVKAFAQPHFP-JTQLQIEISA-N 1 0 234.365 0.680 20 30 BCEDRO C=CCCOCC(=O)N1C[C@H]2CCC[C@@H](C1)[NH2+]2 ZINC000646331513 388237772 /nfs/dbraw/zinc/23/77/72/388237772.db2.gz VBBBSBRUNJPHOR-TXEJJXNPSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCN1CCC[C@H](NC(=O)C(C)C)C1 ZINC000490593513 388240804 /nfs/dbraw/zinc/24/08/04/388240804.db2.gz ARJRXGYIHCQXKI-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)N(C)CC[NH+]1CCCC1 ZINC000490616742 388242499 /nfs/dbraw/zinc/24/24/99/388242499.db2.gz LJCOUQMJVDTREL-UHFFFAOYSA-N 1 0 209.293 0.357 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)COCC ZINC000490616916 388242587 /nfs/dbraw/zinc/24/25/87/388242587.db2.gz MGUCFPCVLJZPHV-LLVKDONJSA-N 1 0 225.288 0.664 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1COC(=O)c1ccnn1C ZINC000490614531 388242951 /nfs/dbraw/zinc/24/29/51/388242951.db2.gz AESPJYHJGTYXNZ-LLVKDONJSA-N 1 0 247.298 0.675 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(O)(CC)CC1 ZINC000490691757 388247600 /nfs/dbraw/zinc/24/76/00/388247600.db2.gz XKIPUMSHGNLPME-LLVKDONJSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CC[N@H+]1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000491255148 388280993 /nfs/dbraw/zinc/28/09/93/388280993.db2.gz WESBIAKBVYTQBG-SNVBAGLBSA-N 1 0 223.272 0.131 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)O[C@@H]2CCOC2)CC1 ZINC000491295853 388283355 /nfs/dbraw/zinc/28/33/55/388283355.db2.gz JGCVEBRKKPEWET-GFCCVEGCSA-N 1 0 237.299 0.664 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)O[C@H]2CCOC2)CC1 ZINC000491295854 388283626 /nfs/dbraw/zinc/28/36/26/388283626.db2.gz JGCVEBRKKPEWET-LBPRGKRZSA-N 1 0 237.299 0.664 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCOCCOC ZINC000451607368 388283729 /nfs/dbraw/zinc/28/37/29/388283729.db2.gz PTHIHFLGEZKPPF-MNOVXSKESA-N 1 0 215.293 0.583 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@H]1CCC[NH2+]1)C(C)C ZINC000491338413 388286517 /nfs/dbraw/zinc/28/65/17/388286517.db2.gz IFGIJGDRZIZZQX-MNOVXSKESA-N 1 0 223.320 0.695 20 30 BCEDRO C#CC[N@@H+](CCCS(=O)(=O)N(C)C)C1CC1 ZINC000491351393 388287586 /nfs/dbraw/zinc/28/75/86/388287586.db2.gz TZVKONQNJKOCCI-UHFFFAOYSA-N 1 0 244.360 0.366 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)[C@H]1C[N@@H+]2CCN1CCC2 ZINC000491361059 388287887 /nfs/dbraw/zinc/28/78/87/388287887.db2.gz IQXMDCZMIOXIQD-QWHCGFSZSA-N 1 0 249.358 0.294 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CCCNC(C)=O ZINC000451676880 388289133 /nfs/dbraw/zinc/28/91/33/388289133.db2.gz UCWJEAYRQLADIK-NEPJUHHUSA-N 1 0 226.320 0.836 20 30 BCEDRO C#CCN(CC)C(=O)N[C@H]1C[NH2+]CC[C@H]1C ZINC000491382077 388290378 /nfs/dbraw/zinc/29/03/78/388290378.db2.gz HLWNVEDRULKACW-MNOVXSKESA-N 1 0 223.320 0.649 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@H](O)COCc1ccccc1 ZINC000491380833 388290382 /nfs/dbraw/zinc/29/03/82/388290382.db2.gz BABXFLFHAPXJJA-KBPBESRZSA-N 1 0 249.310 0.148 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ncc(C)s1 ZINC000491385140 388290666 /nfs/dbraw/zinc/29/06/66/388290666.db2.gz QLSADDFJRMFJRJ-UHFFFAOYSA-N 1 0 237.328 0.681 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@H](O)CN(C)CCC#N)C(C)C ZINC000491383353 388290682 /nfs/dbraw/zinc/29/06/82/388290682.db2.gz LMGHHIQQBCRICZ-QWHCGFSZSA-N 1 0 237.347 0.440 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H]([NH3+])CC ZINC000491387058 388290799 /nfs/dbraw/zinc/29/07/99/388290799.db2.gz WVLOYXZKRINRFD-NSHDSACASA-N 1 0 221.304 0.392 20 30 BCEDRO C#C[C@@H]1COCCN1C[C@H]([NH3+])CC(C)C ZINC000491384260 388291071 /nfs/dbraw/zinc/29/10/71/388291071.db2.gz OFHFHWLEDFHUJX-VXGBXAGGSA-N 1 0 210.321 0.694 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)C1(SC)CC1 ZINC000491392951 388291326 /nfs/dbraw/zinc/29/13/26/388291326.db2.gz FQCGFUZBGPRAFL-UHFFFAOYSA-N 1 0 240.372 0.953 20 30 BCEDRO C#CCN1C(=O)C[C@H]([N@@H+]2CCCC(C)(C)C2)C1=O ZINC000491387679 388291366 /nfs/dbraw/zinc/29/13/66/388291366.db2.gz YJQNILWSOAZRAN-NSHDSACASA-N 1 0 248.326 0.869 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)COCc1ccccc1 ZINC000491414107 388292961 /nfs/dbraw/zinc/29/29/61/388292961.db2.gz BABXFLFHAPXJJA-UONOGXRCSA-N 1 0 249.310 0.148 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NCC[C@@H](C)F ZINC000491428121 388294012 /nfs/dbraw/zinc/29/40/12/388294012.db2.gz NHILXJDAPAMFFF-LLVKDONJSA-N 1 0 243.326 0.989 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@]1(C)CCOC1 ZINC000491442076 388295214 /nfs/dbraw/zinc/29/52/14/388295214.db2.gz ZLZSZDACSFYMIX-ZDUSSCGKSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1CCCS1 ZINC000491450534 388295259 /nfs/dbraw/zinc/29/52/59/388295259.db2.gz AYOAVIFGQQZVCZ-JTQLQIEISA-N 1 0 226.345 0.611 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)c1ccn(CC)n1 ZINC000491453337 388295687 /nfs/dbraw/zinc/29/56/87/388295687.db2.gz QONWEWBFQOWBTB-UHFFFAOYSA-N 1 0 248.330 0.588 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)CCCCOC ZINC000491496403 388299386 /nfs/dbraw/zinc/29/93/86/388299386.db2.gz QFYXXBSTAIRKQE-UHFFFAOYSA-N 1 0 240.347 0.874 20 30 BCEDRO C#CC(C)(C)[N@@H+](C)C[C@H](O)COCCOC ZINC000491507987 388299734 /nfs/dbraw/zinc/29/97/34/388299734.db2.gz XXJYURUYCMFXCC-NSHDSACASA-N 1 0 229.320 0.354 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)NOCC1CC1 ZINC000491522956 388300698 /nfs/dbraw/zinc/30/06/98/388300698.db2.gz AOEGTWINOWCECI-UHFFFAOYSA-N 1 0 239.319 0.582 20 30 BCEDRO C#CCN(CC#CC)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000491545740 388302994 /nfs/dbraw/zinc/30/29/94/388302994.db2.gz RUGGBRKFSABBCT-CYBMUJFWSA-N 1 0 232.327 0.813 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)[C@H]1[C@@H](C)C1(F)F ZINC000491569516 388303815 /nfs/dbraw/zinc/30/38/15/388303815.db2.gz WHQMYGYUZMOMEO-NXEZZACHSA-N 1 0 244.285 0.959 20 30 BCEDRO C#CCNC(=O)NC[C@@H]([NH3+])c1ccccc1 ZINC000491617664 388305161 /nfs/dbraw/zinc/30/51/61/388305161.db2.gz KRCWCNLUMNYMPW-LLVKDONJSA-N 1 0 217.272 0.619 20 30 BCEDRO C#CCN(C)S(=O)(=O)CC[NH+](CC)CC ZINC000491618973 388305202 /nfs/dbraw/zinc/30/52/02/388305202.db2.gz LVDZHWKSQAZDTR-UHFFFAOYSA-N 1 0 232.349 0.223 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CC(C2CCC2)C1 ZINC000491619523 388305444 /nfs/dbraw/zinc/30/54/44/388305444.db2.gz FHYHAZKTYYEWQX-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)COc1ccc(C)cc1 ZINC000491628026 388306171 /nfs/dbraw/zinc/30/61/71/388306171.db2.gz KJLDOVPIQNMCOP-QWHCGFSZSA-N 1 0 249.310 0.318 20 30 BCEDRO C#CC[NH+]1CCC(O[C@@H]2CCOC2)CC1 ZINC000491631012 388306510 /nfs/dbraw/zinc/30/65/10/388306510.db2.gz PTOYAOKZZXZQRE-GFCCVEGCSA-N 1 0 209.289 0.890 20 30 BCEDRO C#C[C@@H](NC(=O)N1CCO[C@H](C[NH3+])C1)C(C)C ZINC000491631196 388306618 /nfs/dbraw/zinc/30/66/18/388306618.db2.gz PWNPZMNBMVGVPC-GHMZBOCLSA-N 1 0 239.319 0.013 20 30 BCEDRO C#C[C@@H](NC(=O)N1CCO[C@@H](C[NH3+])C1)C(C)C ZINC000491631201 388306736 /nfs/dbraw/zinc/30/67/36/388306736.db2.gz PWNPZMNBMVGVPC-WDEREUQCSA-N 1 0 239.319 0.013 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CC)C[C@H](C)CO ZINC000491634906 388307068 /nfs/dbraw/zinc/30/70/68/388307068.db2.gz SXQXVCRTBQENGP-RYUDHWBXSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)[C@@H]1CCC(=O)C1 ZINC000491636823 388307280 /nfs/dbraw/zinc/30/72/80/388307280.db2.gz VEOOWRGOMCOWSE-LLVKDONJSA-N 1 0 236.315 0.427 20 30 BCEDRO C#CCNC(=O)N[C@H](C)[C@@H]1CCC[NH2+]C1 ZINC000491642987 388307474 /nfs/dbraw/zinc/30/74/74/388307474.db2.gz COYLEZMOCLMHEC-NXEZZACHSA-N 1 0 209.293 0.307 20 30 BCEDRO C#CCN(CC#CC)C(=S)NCC[NH+](C)C ZINC000491651319 388308017 /nfs/dbraw/zinc/30/80/17/388308017.db2.gz GDZGRMUNAMBOBU-UHFFFAOYSA-N 1 0 237.372 0.381 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NCCCCO)CC1 ZINC000491656448 388308513 /nfs/dbraw/zinc/30/85/13/388308513.db2.gz SOBNVLHWMJOQBH-UHFFFAOYSA-N 1 0 238.331 0.220 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H]([NH3+])CC)C(C)C ZINC000491659457 388308742 /nfs/dbraw/zinc/30/87/42/388308742.db2.gz BTHSMWHTNBKQKN-UWVGGRQHSA-N 1 0 211.309 0.681 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1(C#N)CC1 ZINC000491658185 388308811 /nfs/dbraw/zinc/30/88/11/388308811.db2.gz VRDPDGFYBHSLAR-UHFFFAOYSA-N 1 0 205.261 0.019 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000491663791 388309125 /nfs/dbraw/zinc/30/91/25/388309125.db2.gz DPTPBTVEZDYPEZ-MRVPVSSYSA-N 1 0 231.246 0.258 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCC[C@@H]1OC ZINC000491663236 388309184 /nfs/dbraw/zinc/30/91/84/388309184.db2.gz RGXPBVXTUMWIIJ-NEPJUHHUSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCN(C[C@@H]1CN(C)C(=O)O1)C1CC1 ZINC000491663293 388309330 /nfs/dbraw/zinc/30/93/30/388309330.db2.gz RLEQODYKXJPKMG-JTQLQIEISA-N 1 0 208.261 0.535 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([NH+]2CCC(C)CC2)C1=O ZINC000491672500 388309988 /nfs/dbraw/zinc/30/99/88/388309988.db2.gz SAWDEEXJVMGQJE-LLVKDONJSA-N 1 0 234.299 0.479 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCCN1CCCC1=O ZINC000491677652 388310275 /nfs/dbraw/zinc/31/02/75/388310275.db2.gz RDXBAJDEINNTPC-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C#C[C@@H](CCC)NC(=[NH2+])N1CCOCC1 ZINC000491677270 388310278 /nfs/dbraw/zinc/31/02/78/388310278.db2.gz XZKQRDDCXPPATP-JTQLQIEISA-N 1 0 209.293 0.645 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@H](C)OC ZINC000491692987 388311538 /nfs/dbraw/zinc/31/15/38/388311538.db2.gz CGXPRYVEZNWDPS-JTQLQIEISA-N 1 0 212.293 0.141 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C=CCCC1 ZINC000491695365 388311877 /nfs/dbraw/zinc/31/18/77/388311877.db2.gz XMZRZWPHCXEVAI-LLVKDONJSA-N 1 0 206.289 0.824 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCOCC12CCC2 ZINC000491699131 388312343 /nfs/dbraw/zinc/31/23/43/388312343.db2.gz BFNOAGFCJJQEQG-UHFFFAOYSA-N 1 0 236.315 0.381 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H](O)C(CC)CC ZINC000491699073 388312415 /nfs/dbraw/zinc/31/24/15/388312415.db2.gz BCIDDEWPHBYTCC-LBPRGKRZSA-N 1 0 240.347 0.513 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H]1CCO[C@H]1C=C ZINC000491698395 388312416 /nfs/dbraw/zinc/31/24/16/388312416.db2.gz SLMYFGZAJZFHNH-MXWKQRLJSA-N 1 0 222.288 0.057 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@H](C)OC[C@H]1CC ZINC000491701423 388312748 /nfs/dbraw/zinc/31/27/48/388312748.db2.gz WOGPVZNMDMAAPV-NWDGAFQWSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[N@H+](C)CCC(=O)Nc1cccnc1 ZINC000491703890 388312981 /nfs/dbraw/zinc/31/29/81/388312981.db2.gz SVYAKGFDYJMRGY-UHFFFAOYSA-N 1 0 217.272 0.975 20 30 BCEDRO C#CCN(C)C(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000491701941 388312984 /nfs/dbraw/zinc/31/29/84/388312984.db2.gz IFCMKKDNBPNYDK-ZYHUDNBSSA-N 1 0 235.331 0.744 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)COCC=C ZINC000491706619 388313415 /nfs/dbraw/zinc/31/34/15/388313415.db2.gz NOMHBDUSEIIYKH-UHFFFAOYSA-N 1 0 224.304 0.260 20 30 BCEDRO C#CCNC(=O)N1C[C@@H](c2ccccc2)[C@H]([NH3+])C1 ZINC000491713538 388314005 /nfs/dbraw/zinc/31/40/05/388314005.db2.gz JZCBTSQLJIGGKS-QWHCGFSZSA-N 1 0 243.310 0.756 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N[C@@H](C)C[NH+](C)C ZINC000491717042 388314409 /nfs/dbraw/zinc/31/44/09/388314409.db2.gz PIIKKWDPMWFLOD-UWVGGRQHSA-N 1 0 211.309 0.648 20 30 BCEDRO C#CCN(C(=O)N[C@@H]1CC[NH2+]C[C@@H]1C)C1CC1 ZINC000491718082 388314556 /nfs/dbraw/zinc/31/45/56/388314556.db2.gz ZHWPXUIPDGSBFX-CMPLNLGQSA-N 1 0 235.331 0.792 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccnc(OC)c1 ZINC000491724097 388314749 /nfs/dbraw/zinc/31/47/49/388314749.db2.gz FFVXQNUPOYTTIO-UHFFFAOYSA-N 1 0 247.298 0.319 20 30 BCEDRO C#CCN(C(=O)C[N@@H+](C)CCC)C1CC1 ZINC000491736723 388316421 /nfs/dbraw/zinc/31/64/21/388316421.db2.gz UZUOVGBZEXIKHQ-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO C#CCN(CC)S(=O)(=O)CC[NH+](CC)CC ZINC000491737012 388316446 /nfs/dbraw/zinc/31/64/46/388316446.db2.gz LBUMBLDAYBKKPD-UHFFFAOYSA-N 1 0 246.376 0.613 20 30 BCEDRO C#C[C@H](NC(=O)N1CC[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000491753666 388318160 /nfs/dbraw/zinc/31/81/60/388318160.db2.gz OXCBAQVDZYRPEK-AVGNSLFASA-N 1 0 249.358 0.895 20 30 BCEDRO C#C[C@@H](C)N(C)C(=O)NCCC[NH2+]CC ZINC000491753621 388318314 /nfs/dbraw/zinc/31/83/14/388318314.db2.gz ZYNUARBVXZBOQQ-SNVBAGLBSA-N 1 0 211.309 0.649 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](C)Cc1ccncc1 ZINC000491761306 388318628 /nfs/dbraw/zinc/31/86/28/388318628.db2.gz VINSIEXDQUGQKH-GFCCVEGCSA-N 1 0 245.326 0.742 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1C[C@@H](C)O[C@H]1C ZINC000491760729 388318760 /nfs/dbraw/zinc/31/87/60/388318760.db2.gz SJCANIVIIREKPG-WOPDTQHZSA-N 1 0 238.331 0.529 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000491775717 388319729 /nfs/dbraw/zinc/31/97/29/388319729.db2.gz VJMSXSUEYLMHDG-MNOVXSKESA-N 1 0 208.305 0.808 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)COc1ccccc1C ZINC000491778522 388320036 /nfs/dbraw/zinc/32/00/36/388320036.db2.gz YJMMHRVKPQZGEN-OLZOCXBDSA-N 1 0 249.310 0.318 20 30 BCEDRO C#CCNC(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000491783029 388320809 /nfs/dbraw/zinc/32/08/09/388320809.db2.gz MZUCGDWRNOCFOM-LLVKDONJSA-N 1 0 223.320 0.826 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@@H](O)c1cccc(Cl)c1 ZINC000491805108 388321698 /nfs/dbraw/zinc/32/16/98/388321698.db2.gz ODAWDCVXKMVKQT-VXGBXAGGSA-N 1 0 239.702 0.957 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000491804908 388321936 /nfs/dbraw/zinc/32/19/36/388321936.db2.gz MTNORSJCVHZJDT-SNVBAGLBSA-N 1 0 211.309 0.634 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)OC ZINC000491806983 388322182 /nfs/dbraw/zinc/32/21/82/388322182.db2.gz RPHHPGGPJRCZPY-UHFFFAOYSA-N 1 0 212.293 0.141 20 30 BCEDRO C#C[C@@H](CC)NC(=O)C1CC[NH+](C)CC1 ZINC000491815782 388323219 /nfs/dbraw/zinc/32/32/19/388323219.db2.gz LSGKDJMNJHAQCH-NSHDSACASA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[N@@H+](C[C@](C)(O)C(=O)OCC)C1CC1 ZINC000491817504 388323453 /nfs/dbraw/zinc/32/34/53/388323453.db2.gz UVKDBAKYZVQZMI-LBPRGKRZSA-N 1 0 225.288 0.398 20 30 BCEDRO C#CC[N@@H+](C[C@@](C)(O)C(=O)OCC)C1CC1 ZINC000491817502 388323584 /nfs/dbraw/zinc/32/35/84/388323584.db2.gz UVKDBAKYZVQZMI-GFCCVEGCSA-N 1 0 225.288 0.398 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H](C)CCOC ZINC000491818971 388323958 /nfs/dbraw/zinc/32/39/58/388323958.db2.gz ROXNVVZFBXIYEF-NSHDSACASA-N 1 0 226.320 0.388 20 30 BCEDRO C#C[C@H](NC(=O)/C=C\C[NH+](C)C)C(C)C ZINC000490986093 388261387 /nfs/dbraw/zinc/26/13/87/388261387.db2.gz QESBKGMZIVWYIX-TVRMLOFPSA-N 1 0 208.305 0.878 20 30 BCEDRO C#CC[NH+]1CCC([C@H](C)NC(C)=O)CC1 ZINC000491041166 388266521 /nfs/dbraw/zinc/26/65/21/388266521.db2.gz XVWAMTMURVHNKW-JTQLQIEISA-N 1 0 208.305 0.856 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)CCN1CCO[C@@H](C)C1 ZINC000491043863 388267163 /nfs/dbraw/zinc/26/71/63/388267163.db2.gz FCPSXIAXNWEBPF-NEPJUHHUSA-N 1 0 210.321 0.661 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCOC2(CCC2)C1 ZINC000491069834 388267837 /nfs/dbraw/zinc/26/78/37/388267837.db2.gz YVRBPPXCIKRYRI-UHFFFAOYSA-N 1 0 236.315 0.381 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)OC[C@@H](C)O)CC1 ZINC000491072988 388267948 /nfs/dbraw/zinc/26/79/48/388267948.db2.gz WUQZTRATEIHYGO-SNVBAGLBSA-N 1 0 225.288 0.256 20 30 BCEDRO C#CCCC[NH+]1CCC(C(=O)NCC#C)CC1 ZINC000491104069 388269245 /nfs/dbraw/zinc/26/92/45/388269245.db2.gz RIGGUSGVLZESKR-UHFFFAOYSA-N 1 0 232.327 0.861 20 30 BCEDRO C#CCNC(=O)C1CC[NH+](C[C@H](C)OC)CC1 ZINC000491103342 388269494 /nfs/dbraw/zinc/26/94/94/388269494.db2.gz OUVLMSHNEZNKBJ-NSHDSACASA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)CCCOC(C)C ZINC000491118350 388270198 /nfs/dbraw/zinc/27/01/98/388270198.db2.gz CTHMYWDXUAQORI-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@@H](C)[C@H]1CO ZINC000491120195 388270687 /nfs/dbraw/zinc/27/06/87/388270687.db2.gz LPPSPCMHMDZZAY-VXGBXAGGSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H]2CCC[C@@H]2C1 ZINC000491119921 388270707 /nfs/dbraw/zinc/27/07/07/388270707.db2.gz KTYZKHWIYLDRLV-TXEJJXNPSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@H]1CCN(C2CC2)C1 ZINC000491122931 388271052 /nfs/dbraw/zinc/27/10/52/388271052.db2.gz YSCLDLQBKSLKCQ-ZDUSSCGKSA-N 1 0 249.358 0.294 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](C)N(C)[C@@H](C)C1 ZINC000491122190 388271259 /nfs/dbraw/zinc/27/12/59/388271259.db2.gz UEMFUUDOASNPMY-TXEJJXNPSA-N 1 0 237.347 0.150 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)Cc1cccc(C)n1 ZINC000491120813 388271373 /nfs/dbraw/zinc/27/13/73/388271373.db2.gz NWSJTNCXSGJVRD-UHFFFAOYSA-N 1 0 245.326 0.961 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1C[C@@H](C)N(C2CC2)C1 ZINC000491127296 388271735 /nfs/dbraw/zinc/27/17/35/388271735.db2.gz WEIHPIILEJCMFQ-NEPJUHHUSA-N 1 0 249.358 0.341 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH+]1CCC(C)(OC)CC1 ZINC000491128029 388271821 /nfs/dbraw/zinc/27/18/21/388271821.db2.gz YTABKDGADRFJNE-LLVKDONJSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H]2[C@H](C1)C2(C)C ZINC000491154038 388273442 /nfs/dbraw/zinc/27/34/42/388273442.db2.gz GLUXKAJLVTYHQE-PHIMTYICSA-N 1 0 220.316 0.714 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](CC)C[C@@H]1CCCO1 ZINC000491166903 388274536 /nfs/dbraw/zinc/27/45/36/388274536.db2.gz VCKMCJIKZMEIFC-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCNC(=O)CC[N@H+](CC=C)CCOC ZINC000491166472 388274573 /nfs/dbraw/zinc/27/45/73/388274573.db2.gz RRLWAUMMNIVTNS-UHFFFAOYSA-N 1 0 224.304 0.260 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCOC[C@@H]1CC ZINC000491201342 388276717 /nfs/dbraw/zinc/27/67/17/388276717.db2.gz GSBRWWSFFIECIW-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CCC[C@]1(C)CO ZINC000491200584 388276751 /nfs/dbraw/zinc/27/67/51/388276751.db2.gz BFJIQQJEBIUDFJ-DGCLKSJQSA-N 1 0 238.331 0.267 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1C[C@@H](OC)C1(C)C ZINC000451483564 388277025 /nfs/dbraw/zinc/27/70/25/388277025.db2.gz AYEUNBZLWVPAID-VHSXEESVSA-N 1 0 226.320 0.692 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1C[C@@H](C)C[C@@H]1C ZINC000491203655 388277120 /nfs/dbraw/zinc/27/71/20/388277120.db2.gz YFJCGKGIVPNGRW-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCN(C)C(=O)C1CC[NH+](C2CC2)CC1 ZINC000491203542 388277304 /nfs/dbraw/zinc/27/73/04/388277304.db2.gz XJGQIRGFBGCSEL-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCN(CC#N)C(=O)c1ccc2c[nH+]cn2c1 ZINC000491209096 388277589 /nfs/dbraw/zinc/27/75/89/388277589.db2.gz BRQYXXSMYFWKRV-UHFFFAOYSA-N 1 0 238.250 0.933 20 30 BCEDRO CO[C@@]1(C)C[C@@H]([NH2+]CC(=O)NCC#N)C1(C)C ZINC000451497275 388277946 /nfs/dbraw/zinc/27/79/46/388277946.db2.gz VQCHWWCLMBLUDU-SKDRFNHKSA-N 1 0 239.319 0.419 20 30 BCEDRO C#CC[N@H+](C)CCCNS(=O)(=O)C1(C)CC1 ZINC000491252347 388280263 /nfs/dbraw/zinc/28/02/63/388280263.db2.gz HNLAMHIHFHIFSQ-UHFFFAOYSA-N 1 0 244.360 0.413 20 30 BCEDRO C[C@H](C[NH3+])NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000594532887 388357454 /nfs/dbraw/zinc/35/74/54/388357454.db2.gz GSYPILIQPYDBLO-SECBINFHSA-N 1 0 244.298 0.931 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNc1nccnc1C#N ZINC000132952985 388373056 /nfs/dbraw/zinc/37/30/56/388373056.db2.gz YLKPIUHZMVSUHU-NSHDSACASA-N 1 0 235.291 0.073 20 30 BCEDRO C[C@@H]1OCC[C@]1(O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000227975508 388375150 /nfs/dbraw/zinc/37/51/50/388375150.db2.gz GVWPRGZMNLXYBB-GWCFXTLKSA-N 1 0 249.314 0.526 20 30 BCEDRO N#Cc1ccc(CCNC(=O)[C@@H]2CCC[NH2+]2)cc1 ZINC000595250153 388380438 /nfs/dbraw/zinc/38/04/38/388380438.db2.gz LPXYWZWBTJPHNM-ZDUSSCGKSA-N 1 0 243.310 0.969 20 30 BCEDRO C=CCCO[C@H](C)C(=O)NC[C@H](C)C[NH2+]C ZINC000237301279 388393187 /nfs/dbraw/zinc/39/31/87/388393187.db2.gz YIFRGRQMPRHWNQ-GHMZBOCLSA-N 1 0 228.336 0.939 20 30 BCEDRO C=C[C@@H](O)C(=O)NC1CC[NH+](CC)CC1 ZINC000646618446 388396067 /nfs/dbraw/zinc/39/60/67/388396067.db2.gz OCHPVCKUOURKEG-SNVBAGLBSA-N 1 0 212.293 0.134 20 30 BCEDRO C[NH+](C)[C@H]1CCN(c2nccnc2C#N)C1 ZINC000070916240 388441304 /nfs/dbraw/zinc/44/13/04/388441304.db2.gz PSDMJIYWOWGQFA-VIFPVBQESA-N 1 0 217.276 0.489 20 30 BCEDRO CC[NH+](CC)CCNC(=O)c1cc(C#N)c[nH]1 ZINC000175194009 388446579 /nfs/dbraw/zinc/44/65/79/388446579.db2.gz UPZRAYIABCUYGA-UHFFFAOYSA-N 1 0 234.303 0.958 20 30 BCEDRO C#CC[N@@H+](CCCS(N)(=O)=O)C1CCCC1 ZINC000176386207 388452466 /nfs/dbraw/zinc/45/24/66/388452466.db2.gz QDNBAQVAXLTMGI-UHFFFAOYSA-N 1 0 244.360 0.543 20 30 BCEDRO COCCOC[C@H](O)C[NH2+]CC(C)(C)CC#N ZINC000515637653 256751875 /nfs/dbraw/zinc/75/18/75/256751875.db2.gz BZSNUDRHMDNEOM-LLVKDONJSA-N 1 0 244.335 0.540 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000646673209 388411635 /nfs/dbraw/zinc/41/16/35/388411635.db2.gz JQEGYHQZZMOFNX-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCCOCC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000646673210 388411751 /nfs/dbraw/zinc/41/17/51/388411751.db2.gz JQEGYHQZZMOFNX-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC[NH+]1CCCCC1 ZINC000646679027 388414184 /nfs/dbraw/zinc/41/41/84/388414184.db2.gz PRDNZHXJDPNGKN-SNVBAGLBSA-N 1 0 212.293 0.135 20 30 BCEDRO C=C[C@@H](O)C(=O)NCc1ccccc1C[NH+](C)C ZINC000646685612 388415484 /nfs/dbraw/zinc/41/54/84/388415484.db2.gz GOEHXRINKJLDGL-CYBMUJFWSA-N 1 0 248.326 0.911 20 30 BCEDRO C=CCOCCN[C@H](C)c1ncn(C)n1 ZINC000339110070 388479214 /nfs/dbraw/zinc/47/92/14/388479214.db2.gz FDTXHYXHRLDZSD-SECBINFHSA-N 1 0 210.281 0.668 20 30 BCEDRO C[N@H+]1CC=C(CNC(=O)c2c[nH]c(C#N)c2)CC1 ZINC000271995970 388417612 /nfs/dbraw/zinc/41/76/12/388417612.db2.gz MWNXUPGCWSZNTD-UHFFFAOYSA-N 1 0 244.298 0.878 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H](C)C[NH+]1CCCC1 ZINC000646690104 388418045 /nfs/dbraw/zinc/41/80/45/388418045.db2.gz KBMMUDGOJNLIRT-MNOVXSKESA-N 1 0 226.320 0.381 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@@H](C)C[NH+]1CCCCC1 ZINC000646697776 388419070 /nfs/dbraw/zinc/41/90/70/388419070.db2.gz FRRAQILRMTXNOC-VXGBXAGGSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCCOCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000646700111 388420266 /nfs/dbraw/zinc/42/02/66/388420266.db2.gz MMAUWOCGZKPJJZ-NSHDSACASA-N 1 0 226.320 0.695 20 30 BCEDRO N#Cc1ccccc1CN1C[C@H](O)C[C@H]1CO ZINC000245639643 388426567 /nfs/dbraw/zinc/42/65/67/388426567.db2.gz ABXYJGDCYFEWKH-QWHCGFSZSA-N 1 0 232.283 0.486 20 30 BCEDRO CC(C)NC(=O)NCCN(C)CCC#N ZINC000517232659 388543132 /nfs/dbraw/zinc/54/31/32/388543132.db2.gz CBRGRHDREXHZFF-UHFFFAOYSA-N 1 0 212.297 0.539 20 30 BCEDRO C=CCCCC(=O)NC[C@@H]1C[NH2+]CCCO1 ZINC000517369734 388547663 /nfs/dbraw/zinc/54/76/63/388547663.db2.gz IDHYWCLKRDCXSI-NSHDSACASA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000646761641 388484738 /nfs/dbraw/zinc/48/47/38/388484738.db2.gz TYXBJUMYDRNXAF-WDEREUQCSA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCNC(=O)NC(=O)C[N@H+](C)CCC1CC1 ZINC000135265718 388488377 /nfs/dbraw/zinc/48/83/77/388488377.db2.gz OXEVDBBKJHKSBS-UHFFFAOYSA-N 1 0 239.319 0.730 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](NC(=O)CC)C1 ZINC000649273267 388488383 /nfs/dbraw/zinc/48/83/83/388488383.db2.gz VWAORZRUZYJXGW-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CS[C@@H](C)C1 ZINC000491709478 256789636 /nfs/dbraw/zinc/78/96/36/256789636.db2.gz QKYDKMVMMRXWBE-VHSXEESVSA-N 1 0 226.345 0.610 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H](C)[NH+]1CCC(C)CC1 ZINC000646775628 388497513 /nfs/dbraw/zinc/49/75/13/388497513.db2.gz KUXWUHHNHJVYPN-RYUDHWBXSA-N 1 0 240.347 0.770 20 30 BCEDRO OC[C@@H]1C[NH+](CC#Cc2ccccc2)C[C@H]1CO ZINC000528597698 388550127 /nfs/dbraw/zinc/55/01/27/388550127.db2.gz GETKQPWGIPEUGG-GJZGRUSLSA-N 1 0 245.322 0.571 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+](C)CCN1CCOCC1 ZINC000649283986 388533887 /nfs/dbraw/zinc/53/38/87/388533887.db2.gz RCCMSXUTSJGWJR-LBPRGKRZSA-N 1 0 228.336 0.187 20 30 BCEDRO C[C@@H](CN1CCOCC1)Nc1ccc(C#N)nn1 ZINC000301942456 388617208 /nfs/dbraw/zinc/61/72/08/388617208.db2.gz VOAPNRDDNYBRSB-JTQLQIEISA-N 1 0 247.302 0.481 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@H](C)[C@@H]1CCOC1 ZINC000328284518 388590151 /nfs/dbraw/zinc/59/01/51/388590151.db2.gz QECSBXAEQQVHOP-CHWSQXEVSA-N 1 0 224.348 0.956 20 30 BCEDRO Cc1nnc(N(C)CC[NH+](C)C)c(C#N)c1C ZINC000107062666 388599088 /nfs/dbraw/zinc/59/90/88/388599088.db2.gz FDBSPARDGWLPQM-UHFFFAOYSA-N 1 0 233.319 0.963 20 30 BCEDRO N#Cc1csc(CN2CC[C@@H](CO)C2)n1 ZINC000356215862 388605978 /nfs/dbraw/zinc/60/59/78/388605978.db2.gz COPTXRXHSYCZPL-MRVPVSSYSA-N 1 0 223.301 0.829 20 30 BCEDRO C[N@@H+]1CC[C@@H](CNC(=O)c2ccc(C#N)cn2)C1 ZINC000107928364 388609238 /nfs/dbraw/zinc/60/92/38/388609238.db2.gz JLPQXNGUMXWRSM-NSHDSACASA-N 1 0 244.298 0.635 20 30 BCEDRO CC(C)(C#N)CCC[NH+]1C[C@@H](CO)[C@H](CO)C1 ZINC000528604458 388551045 /nfs/dbraw/zinc/55/10/45/388551045.db2.gz JSZOCNGZBRIYRK-RYUDHWBXSA-N 1 0 240.347 0.849 20 30 BCEDRO C=CCCC[N@@H+]1CCO[C@@H](CNC(=O)NC)C1 ZINC000528621685 388552182 /nfs/dbraw/zinc/55/21/82/388552182.db2.gz GDSYREPUEVCCHW-NSHDSACASA-N 1 0 241.335 0.582 20 30 BCEDRO C=C(Cl)C[NH2+]C1CCS(=O)(=O)CC1 ZINC000037681412 388569339 /nfs/dbraw/zinc/56/93/39/388569339.db2.gz KESVMRZMPOPLTE-UHFFFAOYSA-N 1 0 223.725 0.906 20 30 BCEDRO C=CCNC(=O)N(C)CC[N@H+](C)C1CC1 ZINC000184725863 388581739 /nfs/dbraw/zinc/58/17/39/388581739.db2.gz NNNULMMVXFHGOQ-UHFFFAOYSA-N 1 0 211.309 0.908 20 30 BCEDRO CO[C@@H]1C[NH+](Cc2cc(C#N)n(C)c2)C[C@H]1OC ZINC000488593315 388583196 /nfs/dbraw/zinc/58/31/96/388583196.db2.gz SVQOLEUKFUKFHQ-CHWSQXEVSA-N 1 0 249.314 0.742 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCOCC1 ZINC000125305547 388670174 /nfs/dbraw/zinc/67/01/74/388670174.db2.gz LQASKKQKMXQKHT-QWRGUYRKSA-N 1 0 238.331 0.529 20 30 BCEDRO Cc1ccnc(NC[C@@]2(O)CC[N@@H+](C)C2)c1C#N ZINC000358327085 388622200 /nfs/dbraw/zinc/62/22/00/388622200.db2.gz WRSZVBXLLCWRIQ-ZDUSSCGKSA-N 1 0 246.314 0.740 20 30 BCEDRO COC[C@H](O)C[NH2+]Cc1ccc(C#N)c(F)c1 ZINC000404142757 388633457 /nfs/dbraw/zinc/63/34/57/388633457.db2.gz MQKVQNQQZYLBCB-LLVKDONJSA-N 1 0 238.262 0.794 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CCCCO2)CC1 ZINC000189559230 388637335 /nfs/dbraw/zinc/63/73/35/388637335.db2.gz LLYZFZGBKOEXBE-UHFFFAOYSA-N 1 0 236.315 0.886 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@H](COC)C(C)C ZINC000083399489 388638605 /nfs/dbraw/zinc/63/86/05/388638605.db2.gz PQSHXTBIQIEMTK-GHMZBOCLSA-N 1 0 228.336 0.938 20 30 BCEDRO C[C@@H](CO)[NH2+]Cc1cnc2ccc(C#N)cn12 ZINC000304275598 388640451 /nfs/dbraw/zinc/64/04/51/388640451.db2.gz CPSBGILEUHNSPB-VIFPVBQESA-N 1 0 230.271 0.676 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[NH2+][C@@H](COCC)C(C)C ZINC000189798664 388644026 /nfs/dbraw/zinc/64/40/26/388644026.db2.gz IKPHLINZGZZAJG-NEPJUHHUSA-N 1 0 240.347 0.775 20 30 BCEDRO N#Cc1ncn(CCC[NH+]2CCCC2)n1 ZINC000061842880 388645744 /nfs/dbraw/zinc/64/57/44/388645744.db2.gz NAJJJNXBRFZNCJ-UHFFFAOYSA-N 1 0 205.265 0.636 20 30 BCEDRO C[N@H+](CCOCCO)Cc1cccc(C#N)c1 ZINC000061948017 388647921 /nfs/dbraw/zinc/64/79/21/388647921.db2.gz KPVMUIZJMUOQDH-UHFFFAOYSA-N 1 0 234.299 0.999 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000084796676 388660936 /nfs/dbraw/zinc/66/09/36/388660936.db2.gz XYUUAKMQZKYCIS-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC1=CCCOC1 ZINC000124679222 388663990 /nfs/dbraw/zinc/66/39/90/388663990.db2.gz QUEYANORUDANTK-UHFFFAOYSA-N 1 0 222.288 0.062 20 30 BCEDRO N#Cc1ccc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)o1 ZINC000447971717 388739868 /nfs/dbraw/zinc/73/98/68/388739868.db2.gz MFLQUVJCPLATTA-RYUDHWBXSA-N 1 0 236.271 0.781 20 30 BCEDRO Cn1cc(C[NH2+][C@@H](CO)[C@@H]2CCCO2)cc1C#N ZINC000447969807 388740339 /nfs/dbraw/zinc/74/03/39/388740339.db2.gz YZFLZXGGKBMHDO-STQMWFEESA-N 1 0 249.314 0.526 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@@H]1CCC[C@H]1OC ZINC000227110783 388740909 /nfs/dbraw/zinc/74/09/09/388740909.db2.gz BGNLFAYPQYUJRS-HBNTYKKESA-N 1 0 226.320 0.834 20 30 BCEDRO C=CCn1cc(C(=O)NC[C@@H](C)[NH+](C)C)nn1 ZINC000648730649 388752005 /nfs/dbraw/zinc/75/20/05/388752005.db2.gz LUUAFUYSHVOXFT-SECBINFHSA-N 1 0 237.307 0.144 20 30 BCEDRO C#CCNC(=O)N[C@H](C)C[NH+]1CCCCC1 ZINC000193120454 388693226 /nfs/dbraw/zinc/69/32/26/388693226.db2.gz XPHDSHZGFDBDQV-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCNC(=O)NC1CC[NH+](CCOC)CC1 ZINC000195138205 388697114 /nfs/dbraw/zinc/69/71/14/388697114.db2.gz OHUIDBAWOHEOFC-UHFFFAOYSA-N 1 0 239.319 0.030 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N(C)CCC#N)CC1 ZINC000126729064 388700730 /nfs/dbraw/zinc/70/07/30/388700730.db2.gz XJCPNOYWFIDCJY-UHFFFAOYSA-N 1 0 233.315 0.704 20 30 BCEDRO C[C@H]1CC[N@H+](CCNC(=O)c2cc(C#N)c[nH]2)C1 ZINC000530889355 388716017 /nfs/dbraw/zinc/71/60/17/388716017.db2.gz SHZSHOVOURMLRC-JTQLQIEISA-N 1 0 246.314 0.958 20 30 BCEDRO CC(C)(C)[S@@](=O)CCNC(=[NH2+])NC1CC1 ZINC000262337241 135293917 /nfs/dbraw/zinc/29/39/17/135293917.db2.gz ZOYBVSMGXNNOQY-HNNXBMFYSA-N 1 0 231.365 0.600 20 30 BCEDRO C=C(C)CN1CC[N@@H+](C[C@H](C)O)C[C@@H]1C ZINC000249514699 388726005 /nfs/dbraw/zinc/72/60/05/388726005.db2.gz PVUOTTHPMNOUIS-RYUDHWBXSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCC[C@H](O)C[N@H+]1CC[C@@H](C)C[C@H]1C(N)=O ZINC000249544239 388727505 /nfs/dbraw/zinc/72/75/05/388727505.db2.gz FVDAVLYMJBZAAD-WOPDTQHZSA-N 1 0 240.347 0.899 20 30 BCEDRO C=CC[N@@H+](C)C[C@@H](O)CN1CCCC1=O ZINC000127615952 388728641 /nfs/dbraw/zinc/72/86/41/388728641.db2.gz UUGFHCDYMLLYDO-SNVBAGLBSA-N 1 0 212.293 0.088 20 30 BCEDRO C[C@@H]([NH2+][C@H]1COC[C@H]1O)c1ccc(C#N)cc1 ZINC000463157298 388731120 /nfs/dbraw/zinc/73/11/20/388731120.db2.gz ATEUFVREVMFDQD-JIMOISOXSA-N 1 0 232.283 0.969 20 30 BCEDRO CC(C)(CCC#N)C[NH2+]C[C@H](O)CO ZINC000229698435 388798682 /nfs/dbraw/zinc/79/86/82/388798682.db2.gz ADEAETUNLQNQEB-VIFPVBQESA-N 1 0 200.282 0.259 20 30 BCEDRO C[C@@H]1CC[N@H+](CC(=O)N2CCOC[C@H]2C#N)C1 ZINC000553492977 388778730 /nfs/dbraw/zinc/77/87/30/388778730.db2.gz MSDPLPGMGKZOFG-GHMZBOCLSA-N 1 0 237.303 0.079 20 30 BCEDRO CN1CCC[C@H]([NH+]2CCC(C#N)CC2)C1=O ZINC000539811872 388779491 /nfs/dbraw/zinc/77/94/91/388779491.db2.gz OMRDNANEZOOGPE-NSHDSACASA-N 1 0 221.304 0.843 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCCC[C@H]1O ZINC000252922463 388790754 /nfs/dbraw/zinc/79/07/54/388790754.db2.gz INARBEOIUZMFMQ-GHMZBOCLSA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@@H]1NC(=O)CC[C@H]1[NH2+]Cc1cc(C#N)n(C)c1 ZINC000282502295 388817864 /nfs/dbraw/zinc/81/78/64/388817864.db2.gz WUGXGJCLIWLZDJ-JOYOIKCWSA-N 1 0 246.314 0.653 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1nccs1 ZINC000129192281 388824263 /nfs/dbraw/zinc/82/42/63/388824263.db2.gz FRZAEBXGNLCXFP-VIFPVBQESA-N 1 0 237.328 0.933 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](CO)c1ccccc1C ZINC000541053777 388838163 /nfs/dbraw/zinc/83/81/63/388838163.db2.gz PNLQXUCWLREBKH-ZDUSSCGKSA-N 1 0 248.326 0.920 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CO)c1ccccc1C ZINC000541053775 388838438 /nfs/dbraw/zinc/83/84/38/388838438.db2.gz PNLQXUCWLREBKH-CYBMUJFWSA-N 1 0 248.326 0.920 20 30 BCEDRO C=CCOCC[N@@H+](C)CCN1CCCC1=O ZINC000555364822 388846404 /nfs/dbraw/zinc/84/64/04/388846404.db2.gz XUDFUQVIJLJUFO-UHFFFAOYSA-N 1 0 226.320 0.743 20 30 BCEDRO CC#CC[C@H](CO)NC(=O)C[N@@H+](CC)C1CC1 ZINC000649185084 388896589 /nfs/dbraw/zinc/89/65/89/388896589.db2.gz XFALXIDWLZRWML-LLVKDONJSA-N 1 0 238.331 0.361 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H](C)[NH3+] ZINC000194863363 388901187 /nfs/dbraw/zinc/90/11/87/388901187.db2.gz SLJXJVWSMRMKKZ-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO C[C@@H](CCC#N)[N@@H+]1CC[C@@](C)(C(N)=O)C1 ZINC000565050001 388911836 /nfs/dbraw/zinc/91/18/36/388911836.db2.gz VNNMTGFULIFUPP-GXSJLCMTSA-N 1 0 209.293 0.876 20 30 BCEDRO C[C@H](C[C@H](C)[NH3+])NC(=O)N1CCO[C@H](C#N)C1 ZINC000565652660 388959656 /nfs/dbraw/zinc/95/96/56/388959656.db2.gz ALMNRBLZARPWEA-IVZWLZJFSA-N 1 0 240.307 0.046 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@](C)(C[NH3+])C2)C1=O ZINC000565950503 388981053 /nfs/dbraw/zinc/98/10/53/388981053.db2.gz GCQSYAQYDBGZSL-DGCLKSJQSA-N 1 0 237.347 0.444 20 30 BCEDRO CC(C)=CC[NH2+]C[C@@H](O)CN(C)CCC#N ZINC000566123790 388989479 /nfs/dbraw/zinc/98/94/79/388989479.db2.gz DXQGOTIZDMQSHK-GFCCVEGCSA-N 1 0 225.336 0.749 20 30 BCEDRO C[NH+]=C(NCCOC)N(C)Cc1ccon1 ZINC000261799298 533477924 /nfs/dbraw/zinc/47/79/24/533477924.db2.gz RGKWMYWJNAMEOC-UHFFFAOYSA-N 1 0 226.280 0.328 20 30 BCEDRO C[NH+]=C(NCCN1CCC1)NC[C@H]1CCCO1 ZINC000261732771 533478327 /nfs/dbraw/zinc/47/83/27/533478327.db2.gz OKLVSRQEAAQRAR-LLVKDONJSA-N 1 0 240.351 0.036 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@](C)(O)C(F)(F)F ZINC000270499166 533511439 /nfs/dbraw/zinc/51/14/39/533511439.db2.gz UBNKFELSNZWGJQ-MRVPVSSYSA-N 1 0 239.241 0.780 20 30 BCEDRO CC[N@@H+]1CCN(c2cnc(C#N)cn2)[C@H](C)C1 ZINC000286319349 132214445 /nfs/dbraw/zinc/21/44/45/132214445.db2.gz KUFVWSYEEOIPCX-SNVBAGLBSA-N 1 0 231.303 0.879 20 30 BCEDRO N#Cc1ccc(N2CCC([NH2+]CCO)CC2)cn1 ZINC000291022187 132217906 /nfs/dbraw/zinc/21/79/06/132217906.db2.gz XSTVBMMWDFJYGW-UHFFFAOYSA-N 1 0 246.314 0.504 20 30 BCEDRO N#Cc1c(F)cccc1N1CCC([NH3+])(CO)CC1 ZINC000301289422 132252773 /nfs/dbraw/zinc/25/27/73/132252773.db2.gz PPXNLYRAZUZGNG-UHFFFAOYSA-N 1 0 249.289 0.987 20 30 BCEDRO N#Cc1cnc(N2CC[N@@H+]3CCC[C@H]3C2)cn1 ZINC000246583992 132303578 /nfs/dbraw/zinc/30/35/78/132303578.db2.gz UKQWALMQHPVQIA-NSHDSACASA-N 1 0 229.287 0.633 20 30 BCEDRO N#Cc1cnc(N2CC[NH+](CC3CC3)CC2)cn1 ZINC000071178879 132391872 /nfs/dbraw/zinc/39/18/72/132391872.db2.gz IJGCRSMWUSSUOP-UHFFFAOYSA-N 1 0 243.314 0.880 20 30 BCEDRO C=CCN(CC=C)C(=O)CN1CC[NH2+]C[C@H]1C ZINC000054372982 133656485 /nfs/dbraw/zinc/65/64/85/133656485.db2.gz HNNLERJIIWMQRL-GFCCVEGCSA-N 1 0 237.347 0.481 20 30 BCEDRO CC[NH+](CC)CCO[C@@H]1CCN(CC#N)C1 ZINC000350222402 133948547 /nfs/dbraw/zinc/94/85/47/133948547.db2.gz SEUUSPWHZHCRMB-GFCCVEGCSA-N 1 0 225.336 0.943 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000331742410 134001142 /nfs/dbraw/zinc/00/11/42/134001142.db2.gz BIMCXYXGZJFSGO-NXEZZACHSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@H](C#N)C(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000331742426 134001348 /nfs/dbraw/zinc/00/13/48/134001348.db2.gz BIMCXYXGZJFSGO-ZJUUUORDSA-N 1 0 221.304 0.747 20 30 BCEDRO C[C@@H](O)C[N@H+](CC1(C#N)CC1)[C@@H](C)CO ZINC000331789264 134002419 /nfs/dbraw/zinc/00/24/19/134002419.db2.gz USTCQNVMIPVYBJ-VHSXEESVSA-N 1 0 212.293 0.354 20 30 BCEDRO CNC(=O)[C@H](C)C[N@H+](C)CC1(C#N)CC1 ZINC000331792089 134002442 /nfs/dbraw/zinc/00/24/42/134002442.db2.gz VHJMKSPRRUXDGM-SECBINFHSA-N 1 0 209.293 0.604 20 30 BCEDRO C[NH+](C)C1(CNC(=O)CSCC#N)CCC1 ZINC000332034477 134003360 /nfs/dbraw/zinc/00/33/60/134003360.db2.gz KIBIQWGVFRXEMK-UHFFFAOYSA-N 1 0 241.360 0.844 20 30 BCEDRO C=CCNC(=O)CN1C[C@@H](C)[N@@H+](C)C[C@H]1C ZINC000351928803 134009371 /nfs/dbraw/zinc/00/93/71/134009371.db2.gz WFJWQXVUGNQCEK-GHMZBOCLSA-N 1 0 225.336 0.313 20 30 BCEDRO C=C(C)CC[N@H+]1CC[C@H](NC(=O)NC)C1 ZINC000351995031 134033161 /nfs/dbraw/zinc/03/31/61/134033161.db2.gz OOKZLUAUWMFEAH-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)CC#N ZINC000336023600 134056538 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C=CCCS(=O)(=O)NCC(C)(C)[NH3+] ZINC000236646149 134460256 /nfs/dbraw/zinc/46/02/56/134460256.db2.gz JJZGCRYZQVWDRN-UHFFFAOYSA-N 1 0 206.311 0.219 20 30 BCEDRO C=CCOCCC[NH2+][C@@H](C(=O)NC)C(C)C ZINC000309681604 134598994 /nfs/dbraw/zinc/59/89/94/134598994.db2.gz ZOUGJOHTXKRVCX-LLVKDONJSA-N 1 0 228.336 0.939 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCC[C@H]1C(=O)NC ZINC000339123139 134606470 /nfs/dbraw/zinc/60/64/70/134606470.db2.gz FHNMBFVQXAOFFC-MNOVXSKESA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCCS(=O)(=O)NCC[NH+]1CCCCC1 ZINC000130662297 134621479 /nfs/dbraw/zinc/62/14/79/134621479.db2.gz WSUYTROMAXNUEH-UHFFFAOYSA-N 1 0 246.376 0.968 20 30 BCEDRO N#Cc1ccc(N2CCO[C@H](C[NH3+])C2)cc1 ZINC000159514033 134776562 /nfs/dbraw/zinc/77/65/62/134776562.db2.gz LTRHEQWHDKYBSG-GFCCVEGCSA-N 1 0 217.272 0.722 20 30 BCEDRO C=CCCS(=O)(=O)N1CCC[C@H]1C[NH2+]C ZINC000237154826 134844973 /nfs/dbraw/zinc/84/49/73/134844973.db2.gz PFFJMYJGURVOGH-JTQLQIEISA-N 1 0 232.349 0.576 20 30 BCEDRO C[C@@H](C#N)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000335607814 134878280 /nfs/dbraw/zinc/87/82/80/134878280.db2.gz HXZGOHKWOBXLHK-DTWKUNHWSA-N 1 0 209.293 0.793 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCOCC(F)F ZINC000189574999 134944841 /nfs/dbraw/zinc/94/48/41/134944841.db2.gz YUZHQWHHHGNNPK-UHFFFAOYSA-N 1 0 221.251 0.749 20 30 BCEDRO CNC(=[NH2+])NCCCN1CCc2ccccc21 ZINC000195522319 134962307 /nfs/dbraw/zinc/96/23/07/134962307.db2.gz HFYHKAWAYJWTTH-UHFFFAOYSA-N 1 0 232.331 0.973 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@@H](CO)C2)C1=O ZINC000337122658 135000126 /nfs/dbraw/zinc/00/01/26/135000126.db2.gz BDUKNBXNZCICED-VXGBXAGGSA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+]2CCC[C@H](CO)C2)C1=O ZINC000337122656 135000847 /nfs/dbraw/zinc/00/08/47/135000847.db2.gz BDUKNBXNZCICED-NWDGAFQWSA-N 1 0 238.331 0.478 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2C[C@@H](C)[C@@H](O)C2)C1=O ZINC000337177532 135003022 /nfs/dbraw/zinc/00/30/22/135003022.db2.gz JRQNRDRNASZXJT-VWYCJHECSA-N 1 0 224.304 0.086 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](COC)C2)C1=O ZINC000337175745 135003301 /nfs/dbraw/zinc/00/33/01/135003301.db2.gz IXHDHEFUJITOKT-NEPJUHHUSA-N 1 0 238.331 0.742 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2C[C@@H](O)C[C@H]2C)C1=O ZINC000337189959 135003978 /nfs/dbraw/zinc/00/39/78/135003978.db2.gz SAMDVCHRHVOUDV-VWYCJHECSA-N 1 0 224.304 0.228 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC[C@H](O)[C@H](C)C2)C1=O ZINC000337204053 135005345 /nfs/dbraw/zinc/00/53/45/135005345.db2.gz IKAWOZIHKQUUTG-WOPDTQHZSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](CC)CC(C)(C)O)C1=O ZINC000337200153 135005691 /nfs/dbraw/zinc/00/56/91/135005691.db2.gz ZMGQQCQBCMYLMM-NSHDSACASA-N 1 0 240.347 0.866 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@]2(C)CCO[C@H]2C)C1=O ZINC000337213168 135005743 /nfs/dbraw/zinc/00/57/43/135005743.db2.gz WDLPEFIKVYDWPD-GVXVVHGQSA-N 1 0 238.331 0.930 20 30 BCEDRO C=CCN1CC[C@@H]([N@H+]2CCC[C@H]2CCO)C1=O ZINC000337200545 135005765 /nfs/dbraw/zinc/00/57/65/135005765.db2.gz FGWWFPJUIXMYJI-NWDGAFQWSA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCN1CC[C@@H]([NH2+]CCn2cccn2)C1=O ZINC000337186005 135005844 /nfs/dbraw/zinc/00/58/44/135005844.db2.gz OQGJYJRFGLRMGX-LLVKDONJSA-N 1 0 234.303 0.260 20 30 BCEDRO C=CCN1CC[C@H]([N@H+](C)CC2(O)CCC2)C1=O ZINC000337206300 135007171 /nfs/dbraw/zinc/00/71/71/135007171.db2.gz MFGLDYSNZGMEJX-NSHDSACASA-N 1 0 238.331 0.620 20 30 BCEDRO C=CCN1CC[C@H]([NH2+][C@@H]2CCOC[C@@H]2C)C1=O ZINC000337207847 135007287 /nfs/dbraw/zinc/00/72/87/135007287.db2.gz PKFBCHPNJDQDCK-TUAOUCFPSA-N 1 0 238.331 0.788 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@H](C)[C@@H]2CO)C1=O ZINC000337210451 135007288 /nfs/dbraw/zinc/00/72/88/135007288.db2.gz UCSZVWYHFAQGSF-SRVKXCTJSA-N 1 0 238.331 0.476 20 30 BCEDRO C=CCOCCC[N@@H+]1CCC[C@@H]2C(=O)NC[C@H]21 ZINC000337246941 135008673 /nfs/dbraw/zinc/00/86/73/135008673.db2.gz JQISYWDIOKHPPT-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CCC[NH+]1CCN(CCC(=O)N(C)C)CC1 ZINC000337273069 135009066 /nfs/dbraw/zinc/00/90/66/135009066.db2.gz OURZXIYAJNMIKI-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C=CCNC(=O)CN1CC[NH+]([C@@H](C)CC)CC1 ZINC000337308357 135012344 /nfs/dbraw/zinc/01/23/44/135012344.db2.gz XRAOVRJTFPLMFD-LBPRGKRZSA-N 1 0 239.363 0.705 20 30 BCEDRO CCC[N@@H+]1CCC[C@@H]1C(=O)N(C)CC#N ZINC000337540400 135019085 /nfs/dbraw/zinc/01/90/85/135019085.db2.gz KEZSIBARSHTPGT-SNVBAGLBSA-N 1 0 209.293 0.843 20 30 BCEDRO C[NH+](C)CC(=O)NCC#Cc1cccc(F)c1 ZINC000338239717 135030342 /nfs/dbraw/zinc/03/03/42/135030342.db2.gz LGKAGDACYDGXIY-UHFFFAOYSA-N 1 0 234.274 0.855 20 30 BCEDRO C=C(C)C[N@@H+](C)CCC(=O)N1CCN(C)CC1 ZINC000338285125 135031377 /nfs/dbraw/zinc/03/13/77/135031377.db2.gz CZKGCHBZLQXNIE-UHFFFAOYSA-N 1 0 239.363 0.658 20 30 BCEDRO C=CCC[N@H+]1CCC[C@@H](CS(N)(=O)=O)C1 ZINC000338540819 135039723 /nfs/dbraw/zinc/03/97/23/135039723.db2.gz CQBPGKKEEPHQOJ-SNVBAGLBSA-N 1 0 232.349 0.563 20 30 BCEDRO C[C@@H](C#N)NC(=O)[C@H]1C[NH+]2CCC1CC2 ZINC000366212768 135048454 /nfs/dbraw/zinc/04/84/54/135048454.db2.gz WPNJRZCIPCYKLK-WPRPVWTQSA-N 1 0 207.277 0.356 20 30 BCEDRO C[C@H]1CC[C@@H](C(N)=O)C[N@@H+]1CCOCCC#N ZINC000338961136 135049991 /nfs/dbraw/zinc/04/99/91/135049991.db2.gz OLXKELQUZFUDHK-WDEREUQCSA-N 1 0 239.319 0.502 20 30 BCEDRO C=CCOCCN1CC[NH+](CC(C)(C)O)CC1 ZINC000338961672 135050483 /nfs/dbraw/zinc/05/04/83/135050483.db2.gz RHMCHGXSAZSYDR-UHFFFAOYSA-N 1 0 242.363 0.578 20 30 BCEDRO C=CCOCC[NH2+][C@]1(CC(=O)OC)CCOC1 ZINC000339097148 135058522 /nfs/dbraw/zinc/05/85/22/135058522.db2.gz ZKWSILANCKUVRF-LBPRGKRZSA-N 1 0 243.303 0.501 20 30 BCEDRO C=CCOCC[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000339098984 135059138 /nfs/dbraw/zinc/05/91/38/135059138.db2.gz HIBBHMXAOXPWBO-GFCCVEGCSA-N 1 0 228.336 0.187 20 30 BCEDRO COC(=O)[C@H]1CC[N@H+](CCOCCC#N)[C@H]1C ZINC000339118394 135061413 /nfs/dbraw/zinc/06/14/13/135061413.db2.gz KOBHTSSYEUXDKY-QWRGUYRKSA-N 1 0 240.303 0.800 20 30 BCEDRO C[C@@H](C#N)S(=O)(=O)N1CC[N@@H+]2CCC[C@H]2C1 ZINC000251044796 135061869 /nfs/dbraw/zinc/06/18/69/135061869.db2.gz PVQJPPSNCURSCL-UWVGGRQHSA-N 1 0 243.332 0.008 20 30 BCEDRO C[C@@H]1OCC[C@H]1[N@H+](CCO)CCOCCC#N ZINC000339148999 135062459 /nfs/dbraw/zinc/06/24/59/135062459.db2.gz QANNWSWOXFMCTI-NWDGAFQWSA-N 1 0 242.319 0.388 20 30 BCEDRO COC[C@@H](C(N)=O)[N@H+](C)CCCC(C)(C)C#N ZINC000339363833 135071338 /nfs/dbraw/zinc/07/13/38/135071338.db2.gz ZPCIARJDQQPYIJ-JTQLQIEISA-N 1 0 241.335 0.748 20 30 BCEDRO CC#CCC[N@@H+]1CC[C@@H](CS(C)(=O)=O)C1 ZINC000366424041 135075658 /nfs/dbraw/zinc/07/56/58/135075658.db2.gz XMIKFDVPBMEZQA-LLVKDONJSA-N 1 0 229.345 0.766 20 30 BCEDRO CC(C)(CO)[C@H]([NH2+]CC(=O)NCC#N)C1CC1 ZINC000339726333 135078621 /nfs/dbraw/zinc/07/86/21/135078621.db2.gz UKFYBYNXVQLOKD-LLVKDONJSA-N 1 0 239.319 0.013 20 30 BCEDRO CNC(=O)[C@@H](C)[NH2+]Cc1cc(C#N)cs1 ZINC000086500204 135087317 /nfs/dbraw/zinc/08/73/17/135087317.db2.gz OWWFUKIGMVUWIO-SSDOTTSWSA-N 1 0 223.301 0.844 20 30 BCEDRO N#Cc1csc(C[NH2+][C@@H]2CCC(=O)NC2)c1 ZINC000086500286 135087484 /nfs/dbraw/zinc/08/74/84/135087484.db2.gz BEVKYWABITXPAZ-SECBINFHSA-N 1 0 235.312 0.988 20 30 BCEDRO C=CCCOCCNC(=O)NCC[NH+]1CCC1 ZINC000339907089 135088802 /nfs/dbraw/zinc/08/88/02/135088802.db2.gz VSSREQKXGVJEBN-UHFFFAOYSA-N 1 0 241.335 0.584 20 30 BCEDRO C[C@H](C#N)C(=O)N[C@@H]1CC[N@@H+]2CCC[C@H]2C1 ZINC000252660646 135094090 /nfs/dbraw/zinc/09/40/90/135094090.db2.gz BMAALPHBTLHCEC-MXWKQRLJSA-N 1 0 221.304 0.889 20 30 BCEDRO C#CCNC(=[NH+]C)N(C)Cc1ccon1 ZINC000261685179 135111299 /nfs/dbraw/zinc/11/12/99/135111299.db2.gz DNUTWUFPBSXYRV-UHFFFAOYSA-N 1 0 206.249 0.315 20 30 BCEDRO COCCNC(=[NH2+])NC[C@@H]1CC=CCC1 ZINC000261691609 135111586 /nfs/dbraw/zinc/11/15/86/135111586.db2.gz BGYVCQXADLJSDK-SNVBAGLBSA-N 1 0 211.309 0.893 20 30 BCEDRO [NH2+]=C(NC[C@@H](O)c1cccc(F)c1)NC1CC1 ZINC000261872588 135111890 /nfs/dbraw/zinc/11/18/90/135111890.db2.gz PCSYYVNQCOAIBH-LLVKDONJSA-N 1 0 237.278 0.926 20 30 BCEDRO CC[C@@H](C)NC(=[NH2+])NCc1nccn1C ZINC000262013575 135114172 /nfs/dbraw/zinc/11/41/72/135114172.db2.gz VBFPXPLATGCMAP-MRVPVSSYSA-N 1 0 209.297 0.623 20 30 BCEDRO CN(C)C(=[NH+]Cc1nccn1C)N(C)C ZINC000262003745 135114804 /nfs/dbraw/zinc/11/48/04/135114804.db2.gz QOGMQYMJCNBTNN-UHFFFAOYSA-N 1 0 209.297 0.399 20 30 BCEDRO C[NH+]=C(NCCn1ccnc1C)NC1CC1 ZINC000262145309 135115673 /nfs/dbraw/zinc/11/56/73/135115673.db2.gz QFAPRMYIXKSBOV-UHFFFAOYSA-N 1 0 221.308 0.519 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ccccn1 ZINC000262176517 135116736 /nfs/dbraw/zinc/11/67/36/135116736.db2.gz BBZNUKWGFVWHDN-VIFPVBQESA-N 1 0 222.292 0.521 20 30 BCEDRO C=CCNC(=[NH2+])N1CCN(c2ncccn2)CC1 ZINC000262264467 135117275 /nfs/dbraw/zinc/11/72/75/135117275.db2.gz JTLDDFJKQRJFBG-UHFFFAOYSA-N 1 0 246.318 0.099 20 30 BCEDRO COCCNC(=[NH2+])NC[C@H]1COc2ccccc21 ZINC000262276910 135117719 /nfs/dbraw/zinc/11/77/19/135117719.db2.gz JWRRQBQJDAJVJK-JTQLQIEISA-N 1 0 249.314 0.713 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@H](c2ccco2)N(C)C)N1 ZINC000262479857 135118977 /nfs/dbraw/zinc/11/89/77/135118977.db2.gz CVSHZJDEVBYIDZ-ZJUUUORDSA-N 1 0 236.319 0.820 20 30 BCEDRO C[NH+]=C(NCc1cnn(C)c1)NCC1CCC1 ZINC000262443520 135118980 /nfs/dbraw/zinc/11/89/80/135118980.db2.gz UYHIAAUETJRLOB-UHFFFAOYSA-N 1 0 235.335 0.885 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCNc2ccccn2)N1 ZINC000262472906 135119016 /nfs/dbraw/zinc/11/90/16/135119016.db2.gz BNPPFCPFLDCKCV-SECBINFHSA-N 1 0 219.292 0.431 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCNc2ccccn2)N1 ZINC000262472908 135119064 /nfs/dbraw/zinc/11/90/64/135119064.db2.gz BNPPFCPFLDCKCV-VIFPVBQESA-N 1 0 219.292 0.431 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCC[C@H]1O)Nc1ccccn1 ZINC000262551976 135119434 /nfs/dbraw/zinc/11/94/34/135119434.db2.gz YVFDDJVDADMCSL-VHSXEESVSA-N 1 0 234.303 0.969 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCN1CCSCC1 ZINC000262545549 135119622 /nfs/dbraw/zinc/11/96/22/135119622.db2.gz VANSEGDUPWXKNW-UHFFFAOYSA-N 1 0 242.392 0.516 20 30 BCEDRO CN1CC[NH+]=C1NCCc1nc2ccccc2[nH]1 ZINC000262630207 135119641 /nfs/dbraw/zinc/11/96/41/135119641.db2.gz FMEGSWURJSDRTF-UHFFFAOYSA-N 1 0 243.314 0.996 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCC[C@@H]1O)Nc1ccccn1 ZINC000262551975 135119784 /nfs/dbraw/zinc/11/97/84/135119784.db2.gz YVFDDJVDADMCSL-UWVGGRQHSA-N 1 0 234.303 0.969 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1CNC1=[NH+]CCN1C ZINC000262657732 135120420 /nfs/dbraw/zinc/12/04/20/135120420.db2.gz MAIGUPVURUUEDF-MNOVXSKESA-N 1 0 223.320 0.859 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@](C)(O)c1ccco1 ZINC000262679107 135120975 /nfs/dbraw/zinc/12/09/75/135120975.db2.gz SCGNRLGCBMOMIY-LLVKDONJSA-N 1 0 223.276 0.577 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@](C)(O)c1ccco1 ZINC000262679108 135121130 /nfs/dbraw/zinc/12/11/30/135121130.db2.gz SCGNRLGCBMOMIY-NSHDSACASA-N 1 0 223.276 0.577 20 30 BCEDRO C[S@](=O)C1(CNC(=[NH2+])NC2CCCC2)CC1 ZINC000262813268 135122579 /nfs/dbraw/zinc/12/25/79/135122579.db2.gz VXCIVRNMMFQCRM-INIZCTEOSA-N 1 0 243.376 0.744 20 30 BCEDRO C[NH+]=C(NC1CCC1)N[C@@H]1CCC(=O)N(C)C1 ZINC000262820129 135122677 /nfs/dbraw/zinc/12/26/77/135122677.db2.gz XXQIBRQWBDBKGW-SNVBAGLBSA-N 1 0 238.335 0.325 20 30 BCEDRO [NH2+]=C(NC[C@]1(O)CCc2ccccc21)NC1CC1 ZINC000262796208 135122703 /nfs/dbraw/zinc/12/27/03/135122703.db2.gz PPAWBKOZTZLNMI-CQSZACIVSA-N 1 0 245.326 0.887 20 30 BCEDRO Cc1ccc(CNC(=[NH2+])N(C)C2CC2)c(=O)n1C ZINC000262787230 135122831 /nfs/dbraw/zinc/12/28/31/135122831.db2.gz MVZIROCBVGDVDS-UHFFFAOYSA-N 1 0 248.330 0.603 20 30 BCEDRO C=CCNC(NCCn1ccnc1C)=[NH+]C ZINC000262945952 135123669 /nfs/dbraw/zinc/12/36/69/135123669.db2.gz AVVCSIJXBBXMRC-UHFFFAOYSA-N 1 0 221.308 0.543 20 30 BCEDRO COc1ccc(CNC(=[NH2+])NC2CC2)nc1 ZINC000262960278 135124031 /nfs/dbraw/zinc/12/40/31/135124031.db2.gz QCUNZXSGKVFFCS-UHFFFAOYSA-N 1 0 220.276 0.657 20 30 BCEDRO C=CCNC(NC[C@H]1CCCO1)=[NH+]CC ZINC000263109908 135124673 /nfs/dbraw/zinc/12/46/73/135124673.db2.gz DOEMFPMGUFVVKM-SNVBAGLBSA-N 1 0 211.309 0.907 20 30 BCEDRO CC[C@@H](C)NC(NCc1nncn1C)=[NH+]C ZINC000263265218 135125936 /nfs/dbraw/zinc/12/59/36/135125936.db2.gz UVZRLTPPUJXIHV-MRVPVSSYSA-N 1 0 224.312 0.279 20 30 BCEDRO CN(C)C(=[NH2+])NCCn1cnc2ccccc21 ZINC000264058030 135130396 /nfs/dbraw/zinc/13/03/96/135130396.db2.gz BTDOEJVBFUEVOD-UHFFFAOYSA-N 1 0 231.303 0.913 20 30 BCEDRO COc1ccc(NC(=[NH2+])NCCCO)cc1 ZINC000264063513 135131343 /nfs/dbraw/zinc/13/13/43/135131343.db2.gz DJWPVPFOLUVTRD-UHFFFAOYSA-N 1 0 223.276 0.804 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)COc1ccc(F)cc1 ZINC000264078020 135131700 /nfs/dbraw/zinc/13/17/00/135131700.db2.gz GIMIPKPXCPRFEZ-SECBINFHSA-N 1 0 241.266 0.100 20 30 BCEDRO CNC(NC[C@@H](O)c1ccc(C)cc1)=[NH+]C ZINC000264081562 135131821 /nfs/dbraw/zinc/13/18/21/135131821.db2.gz HOYBKYUUAQYROA-LLVKDONJSA-N 1 0 221.304 0.823 20 30 BCEDRO COCCNC(=[NH2+])NCc1cccnc1 ZINC000264077661 135132005 /nfs/dbraw/zinc/13/20/05/135132005.db2.gz HQVHJPMGVKULGU-UHFFFAOYSA-N 1 0 208.265 0.132 20 30 BCEDRO CN(C)C(=[NH2+])NCCc1ccccc1O ZINC000264090855 135132565 /nfs/dbraw/zinc/13/25/65/135132565.db2.gz LACJEPDNSMSZEJ-UHFFFAOYSA-N 1 0 207.277 0.811 20 30 BCEDRO CNC(NCc1ccc(N2CCCC2)nc1)=[NH+]C ZINC000264096453 135133115 /nfs/dbraw/zinc/13/31/15/135133115.db2.gz MDLSBEJRYCZFEX-UHFFFAOYSA-N 1 0 247.346 0.977 20 30 BCEDRO CN(C)C(=[NH+]CCCn1cccn1)N(C)C ZINC000264107641 135133258 /nfs/dbraw/zinc/13/32/58/135133258.db2.gz OFWQDHDTWLGYHO-UHFFFAOYSA-N 1 0 223.324 0.752 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCCn1cccn1 ZINC000264096515 135133293 /nfs/dbraw/zinc/13/32/93/135133293.db2.gz MELXZKDBAQRSRY-JTQLQIEISA-N 1 0 223.324 0.976 20 30 BCEDRO CNC(=[NH2+])NC[C@@H](O)c1ccccc1OC ZINC000264118714 135134491 /nfs/dbraw/zinc/13/44/91/135134491.db2.gz UGTZWXAHUYJQPO-SECBINFHSA-N 1 0 223.276 0.263 20 30 BCEDRO CCNC(=[NH2+])NCC(=O)N(C)Cc1ccccc1 ZINC000264129768 135135046 /nfs/dbraw/zinc/13/50/46/135135046.db2.gz XNSHNZQBPDMKDL-UHFFFAOYSA-N 1 0 248.330 0.569 20 30 BCEDRO CCCNC(=[NH2+])NCCCc1cnn(C)c1 ZINC000264236464 135137080 /nfs/dbraw/zinc/13/70/80/135137080.db2.gz DGRCCIDKDJKOOG-UHFFFAOYSA-N 1 0 223.324 0.667 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N(C)CCC[NH2+]C ZINC000087472781 135142529 /nfs/dbraw/zinc/14/25/29/135142529.db2.gz CYAAAXWRLREJEV-SNVBAGLBSA-N 1 0 213.325 0.218 20 30 BCEDRO CC(C)[C@H](C#N)NC(=O)[C@H]1CC[N@H+](C)C1 ZINC000259436676 135142733 /nfs/dbraw/zinc/14/27/33/135142733.db2.gz OLTRJGQYZLPCMD-UWVGGRQHSA-N 1 0 209.293 0.602 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)N(CCC#N)CCC#N ZINC000265658459 135145839 /nfs/dbraw/zinc/14/58/39/135145839.db2.gz QHLINLNZOVNVFP-ZZXKWVIFSA-N 1 0 234.303 0.760 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)[C@H]1CCC[N@@H+]1C ZINC000259960063 135146261 /nfs/dbraw/zinc/14/62/61/135146261.db2.gz LOVOGKXARIDROI-NXEZZACHSA-N 1 0 209.293 0.699 20 30 BCEDRO CN(CCNC(N)=[NH2+])Cc1ccc(F)cc1 ZINC000267253958 135152585 /nfs/dbraw/zinc/15/25/85/135152585.db2.gz BYMUFWYLZCXZFS-UHFFFAOYSA-N 1 0 224.283 0.531 20 30 BCEDRO CNC(NCC#Cc1ccccc1)=[NH+]C ZINC000267406083 135153934 /nfs/dbraw/zinc/15/39/34/135153934.db2.gz GYNZBHDPTHDBRM-UHFFFAOYSA-N 1 0 201.273 0.833 20 30 BCEDRO CNC(NCCCCn1ccnc1C)=[NH+]C ZINC000267478054 135154651 /nfs/dbraw/zinc/15/46/51/135154651.db2.gz ZXQJTQNINIEYOD-UHFFFAOYSA-N 1 0 223.324 0.767 20 30 BCEDRO CN(C)C(=[NH2+])NCC#Cc1ccccc1 ZINC000267478033 135155181 /nfs/dbraw/zinc/15/51/81/135155181.db2.gz ZWCVYFFPLADKAN-UHFFFAOYSA-N 1 0 201.273 0.914 20 30 BCEDRO COc1cccc([C@H](O)CNC(=[NH2+])N(C)C)c1 ZINC000267472366 135155189 /nfs/dbraw/zinc/15/51/89/135155189.db2.gz YIJNAPBKBZQINF-LLVKDONJSA-N 1 0 237.303 0.605 20 30 BCEDRO Cc1cnn(CCNC2=[NH+]C[C@@H](C)N2)c1 ZINC000261529293 135155791 /nfs/dbraw/zinc/15/57/91/135155791.db2.gz AOBOQBABDYGIQQ-SECBINFHSA-N 1 0 207.281 0.129 20 30 BCEDRO CCCNC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000267656360 135156085 /nfs/dbraw/zinc/15/60/85/135156085.db2.gz MOYIWPATPIKBIE-UHFFFAOYSA-N 1 0 224.264 0.193 20 30 BCEDRO CN1CC[NH+]=C1NCCOC1CCCC1 ZINC000261531264 135160063 /nfs/dbraw/zinc/16/00/63/135160063.db2.gz FXBFXMKWXUTXEL-UHFFFAOYSA-N 1 0 211.309 0.837 20 30 BCEDRO CN1CC[NH+]=C1NCCc1cccnc1 ZINC000261532087 135161608 /nfs/dbraw/zinc/16/16/08/135161608.db2.gz JBONOMAGFOAQOJ-UHFFFAOYSA-N 1 0 204.277 0.515 20 30 BCEDRO CN(C)C(=[NH2+])NC[C@]1(O)CCc2ccccc21 ZINC000269689702 135167389 /nfs/dbraw/zinc/16/73/89/135167389.db2.gz ITYPEBQPOCVKIL-CYBMUJFWSA-N 1 0 233.315 0.697 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCOCC(F)(F)F)N1 ZINC000261535880 135170360 /nfs/dbraw/zinc/17/03/60/135170360.db2.gz PNPGWMXVLPHQCX-LURJTMIESA-N 1 0 225.214 0.503 20 30 BCEDRO C[C@H]1C[NH+]=C(NCC2(C)CCOCC2)N1 ZINC000261537355 135174207 /nfs/dbraw/zinc/17/42/07/135174207.db2.gz VJHVIBGCUOQEFA-VIFPVBQESA-N 1 0 211.309 0.740 20 30 BCEDRO C=CCOCC(=O)NCC[C@@H]1CC[NH2+]C1 ZINC000261543188 135184000 /nfs/dbraw/zinc/18/40/00/135184000.db2.gz HPKXMAPKLQVFSS-JTQLQIEISA-N 1 0 212.293 0.305 20 30 BCEDRO C[C@@H]1OCC[C@]1(O)CNC(=[NH2+])NC1CCCC1 ZINC000261544414 135185073 /nfs/dbraw/zinc/18/50/73/135185073.db2.gz XYHYKDQMYNXMDF-CABZTGNLSA-N 1 0 241.335 0.373 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[NH2+][C@@H](C)[C@@H]1C ZINC000261548883 135187515 /nfs/dbraw/zinc/18/75/15/135187515.db2.gz OAGSJIIZFZFDSA-UWVGGRQHSA-N 1 0 232.349 0.575 20 30 BCEDRO C=CCCO[C@@H](C)C(=O)NCC1C[NH2+]C1 ZINC000261551369 135190157 /nfs/dbraw/zinc/19/01/57/135190157.db2.gz QLDQKFVFNSPXMX-VIFPVBQESA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@]1(COC)CC[NH2+]C1 ZINC000261556490 135197208 /nfs/dbraw/zinc/19/72/08/135197208.db2.gz QUUFPHLMOWDHEW-CYBMUJFWSA-N 1 0 238.331 0.813 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](C)[NH2+]C[C@@H]1C ZINC000261559418 135200692 /nfs/dbraw/zinc/20/06/92/135200692.db2.gz ZBNRFJLEUMTCQZ-ZJUUUORDSA-N 1 0 212.293 0.398 20 30 BCEDRO C=CCNC(=O)[C@H](C)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000261561965 135203966 /nfs/dbraw/zinc/20/39/66/135203966.db2.gz VUUHTMIWXFYHHS-TUAOUCFPSA-N 1 0 237.347 0.218 20 30 BCEDRO CC[C@H](C)NC(=O)CCNC1=[NH+]C[C@H](C)N1 ZINC000261564415 135205726 /nfs/dbraw/zinc/20/57/26/135205726.db2.gz CMYCDTRCFZRMKH-IUCAKERBSA-N 1 0 226.324 0.229 20 30 BCEDRO CN1CC[NH+]=C1NCc1cccc(CO)c1 ZINC000261564382 135205828 /nfs/dbraw/zinc/20/58/28/135205828.db2.gz CLKHJMWXPUFHSX-UHFFFAOYSA-N 1 0 219.288 0.570 20 30 BCEDRO C=CCCS(=O)(=O)N1C[C@H](C[NH3+])C[C@H]1C ZINC000261568088 135210307 /nfs/dbraw/zinc/21/03/07/135210307.db2.gz FHQBADLADLBYHT-ZJUUUORDSA-N 1 0 232.349 0.561 20 30 BCEDRO C=CCOCC(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000261568140 135210317 /nfs/dbraw/zinc/21/03/17/135210317.db2.gz FJKIFGFBQHYLMK-ZJUUUORDSA-N 1 0 212.293 0.575 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]([NH3+])[C@@H](C)C1 ZINC000261573377 135214604 /nfs/dbraw/zinc/21/46/04/135214604.db2.gz ITEAVOQGYKMREY-VHSXEESVSA-N 1 0 212.293 0.385 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]([NH3+])[C@@H](C)C1 ZINC000261573376 135214861 /nfs/dbraw/zinc/21/48/61/135214861.db2.gz ITEAVOQGYKMREY-UWVGGRQHSA-N 1 0 212.293 0.385 20 30 BCEDRO C=CCOCCCC(=O)N(C)CC[NH2+]C ZINC000120683411 135219574 /nfs/dbraw/zinc/21/95/74/135219574.db2.gz SRVXLEQFRDATMA-UHFFFAOYSA-N 1 0 214.309 0.647 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@@H+]1CCC[C@@H](O)C1 ZINC000042468195 135220402 /nfs/dbraw/zinc/22/04/02/135220402.db2.gz LQABRVLBLCYCGW-LLVKDONJSA-N 1 0 239.319 0.205 20 30 BCEDRO CCCNC(=O)[C@@H](C)N(C)C[C@@H](C)C#N ZINC000042324467 135221131 /nfs/dbraw/zinc/22/11/31/135221131.db2.gz ZHAAMPMPGQFEQJ-VHSXEESVSA-N 1 0 211.309 0.993 20 30 BCEDRO C=CCOCC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000261586270 135227753 /nfs/dbraw/zinc/22/77/53/135227753.db2.gz QYMNIVJZIQMOTQ-NXEZZACHSA-N 1 0 212.293 0.385 20 30 BCEDRO CC#CCN(C)C(=O)C[N@H+](C)[C@@H]1CCSC1 ZINC000341022099 135233298 /nfs/dbraw/zinc/23/32/98/135233298.db2.gz DFUFWKAMOOYEAN-LLVKDONJSA-N 1 0 240.372 0.905 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1CC[N@@H+](CCOC)C1 ZINC000340965360 135233432 /nfs/dbraw/zinc/23/34/32/135233432.db2.gz OUFOTEFSAFBIDM-LLVKDONJSA-N 1 0 242.319 0.026 20 30 BCEDRO C=CCOCC(=O)NC1(C[NH3+])CCCC1 ZINC000261594934 135234943 /nfs/dbraw/zinc/23/49/43/135234943.db2.gz XUYAAODLTCDHDK-UHFFFAOYSA-N 1 0 212.293 0.577 20 30 BCEDRO N#Cc1cc(N2CC[C@@H]3C[NH2+]C[C@@H]3C2)ccn1 ZINC000261545904 135237964 /nfs/dbraw/zinc/23/79/64/135237964.db2.gz GJLRUIXHYCSHML-GHMZBOCLSA-N 1 0 228.299 0.999 20 30 BCEDRO C=CCOCC(=O)NCC[C@H]1CCC[NH2+]1 ZINC000261547553 135240071 /nfs/dbraw/zinc/24/00/71/135240071.db2.gz MKXPDOKHZHGLLL-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)N1CC[N@@H+](CC)C[C@H]1C ZINC000341796652 135242477 /nfs/dbraw/zinc/24/24/77/135242477.db2.gz INMPPKVFNYQXHR-DGCLKSJQSA-N 1 0 240.347 0.866 20 30 BCEDRO C[C@](O)(CNC(=[NH2+])NC1CC1)C(F)(F)F ZINC000261698879 135246510 /nfs/dbraw/zinc/24/65/10/135246510.db2.gz NTBYDUJWPCBRFN-ZETCQYMHSA-N 1 0 225.214 0.366 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CCC[C@@H]1[C@H]1CCCO1 ZINC000342043374 135246866 /nfs/dbraw/zinc/24/68/66/135246866.db2.gz GNNNHBQLSMXVFQ-GHMZBOCLSA-N 1 0 237.303 0.270 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@H]1CCCCO1 ZINC000261711266 135247253 /nfs/dbraw/zinc/24/72/53/135247253.db2.gz DTCRCEMNAKTTTK-MNOVXSKESA-N 1 0 241.335 0.639 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCO1)NC[C@@H]1CCCOC1 ZINC000261736503 135248909 /nfs/dbraw/zinc/24/89/09/135248909.db2.gz HXLXBPVHJLYAPF-WDEREUQCSA-N 1 0 241.335 0.496 20 30 BCEDRO C[NH+]=C(N[C@@H]1C[C@H](OC)C1(C)C)N(C)C ZINC000261752819 135249963 /nfs/dbraw/zinc/24/99/63/135249963.db2.gz LVILKWLEMLFYLA-BDAKNGLRSA-N 1 0 213.325 0.937 20 30 BCEDRO CNC(N[C@@H]1[C@@H]2CCO[C@@H]2C12CCC2)=[NH+]C ZINC000261777640 135251637 /nfs/dbraw/zinc/25/16/37/135251637.db2.gz HCQQVZLEBLPDEE-AEJSXWLSSA-N 1 0 223.320 0.739 20 30 BCEDRO C=CCOCC(=O)N1CCC2(CC[NH2+]C2)CC1 ZINC000261847187 135256915 /nfs/dbraw/zinc/25/69/15/135256915.db2.gz QDJVLMSBOLXLGW-UHFFFAOYSA-N 1 0 238.331 0.791 20 30 BCEDRO CN1CC[NH+]=C1NCC1([S@@](C)=O)CCC1 ZINC000261858292 135258111 /nfs/dbraw/zinc/25/81/11/135258111.db2.gz AENFSPOXQYHTIA-OAHLLOKOSA-N 1 0 229.349 0.179 20 30 BCEDRO Cc1nn(C)c(C)c1CCNC1=[NH+]CCN1C ZINC000261859417 135258230 /nfs/dbraw/zinc/25/82/30/135258230.db2.gz AJHABJUMJZNUKD-UHFFFAOYSA-N 1 0 235.335 0.470 20 30 BCEDRO COCC1(CNC(=[NH2+])N2CCOCC2)CCC1 ZINC000261879241 135258783 /nfs/dbraw/zinc/25/87/83/135258783.db2.gz UBEXBCXLGGSELV-UHFFFAOYSA-N 1 0 241.335 0.450 20 30 BCEDRO Cc1nccc(CNC(=[NH2+])NC[C@@H]2CCCO2)n1 ZINC000261881867 135259710 /nfs/dbraw/zinc/25/97/10/135259710.db2.gz RDBYBEOUAIIHEM-NSHDSACASA-N 1 0 249.318 0.368 20 30 BCEDRO CNC(NCc1nnc2n1CCCCC2)=[NH+]C ZINC000261880811 135260319 /nfs/dbraw/zinc/26/03/19/135260319.db2.gz QXKANRXJKHMGOR-UHFFFAOYSA-N 1 0 236.323 0.299 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNS(=O)(=O)CCCC#N ZINC000342352059 135261400 /nfs/dbraw/zinc/26/14/00/135261400.db2.gz XUZPKNOWYSXQMV-SNVBAGLBSA-N 1 0 245.348 0.304 20 30 BCEDRO CNC(=O)N[C@H]1CCN(C[C@@H](C#N)CCC#N)C1 ZINC000342355561 135261643 /nfs/dbraw/zinc/26/16/43/135261643.db2.gz OTQHHQBVVCXVSB-MNOVXSKESA-N 1 0 249.318 0.433 20 30 BCEDRO C[C@@H]1COCCN1CC[NH+]=C(N(C)C)N(C)C ZINC000261967537 135267262 /nfs/dbraw/zinc/26/72/62/135267262.db2.gz BTZITGZQQOYLDS-LLVKDONJSA-N 1 0 242.367 0.186 20 30 BCEDRO C[C@H]1COCCN1CCNC(=[NH2+])NC(C)(C)C ZINC000261964167 135267277 /nfs/dbraw/zinc/26/72/77/135267277.db2.gz ALIOKDQTNBKMIP-JTQLQIEISA-N 1 0 242.367 0.410 20 30 BCEDRO N#Cc1ccc(CN(CC[NH3+])CCO)cc1 ZINC000342391672 135269744 /nfs/dbraw/zinc/26/97/44/135269744.db2.gz SGODNZDNEHSEDK-UHFFFAOYSA-N 1 0 219.288 0.311 20 30 BCEDRO C=CCNC(=O)NCC[NH+]1CCCCC1 ZINC000079079731 135270311 /nfs/dbraw/zinc/27/03/11/135270311.db2.gz VOGXAZMEEANPCK-UHFFFAOYSA-N 1 0 211.309 0.958 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCCO1)N1CCSCC1 ZINC000261996082 135270418 /nfs/dbraw/zinc/27/04/18/135270418.db2.gz NVYRMCZWRATQGB-JTQLQIEISA-N 1 0 243.376 0.919 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCCO1)N1CCOCC1 ZINC000261997232 135270472 /nfs/dbraw/zinc/27/04/72/135270472.db2.gz OBEANNBEAFOXJR-JTQLQIEISA-N 1 0 227.308 0.202 20 30 BCEDRO [NH2+]=C(NC[C@H]1CCCCO1)N1CCOCC1 ZINC000261997233 135270527 /nfs/dbraw/zinc/27/05/27/135270527.db2.gz OBEANNBEAFOXJR-SNVBAGLBSA-N 1 0 227.308 0.202 20 30 BCEDRO Cc1noc(CCNC(=[NH2+])NCC2CCC2)n1 ZINC000261996064 135270573 /nfs/dbraw/zinc/27/05/73/135270573.db2.gz NUKSNTAOGCGZFX-UHFFFAOYSA-N 1 0 237.307 0.625 20 30 BCEDRO CC(C)(CNC(=[NH2+])Nc1ccccn1)C(N)=O ZINC000262000991 135271247 /nfs/dbraw/zinc/27/12/47/135271247.db2.gz PQTRAZUIAOXMMS-UHFFFAOYSA-N 1 0 235.291 0.320 20 30 BCEDRO [NH2+]=C(NC[C@@H](O)C(F)(F)F)NCC1CCC1 ZINC000262006148 135271322 /nfs/dbraw/zinc/27/13/22/135271322.db2.gz RLBAPCRECCHQBP-SSDOTTSWSA-N 1 0 239.241 0.614 20 30 BCEDRO C=CCOCC(=O)N[C@@H]1C[N@H+](C2CC2)C[C@H]1C ZINC000342478278 135272342 /nfs/dbraw/zinc/27/23/42/135272342.db2.gz RDVMXOPDIJSHBG-ZYHUDNBSSA-N 1 0 238.331 0.788 20 30 BCEDRO CC#CCNC(=O)NCCN1CCOC[C@@H]1C ZINC000342433885 135274120 /nfs/dbraw/zinc/27/41/20/135274120.db2.gz VQESHTVSXPDEMB-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CC[N@@H+](C2CC2)C1 ZINC000342435159 135274207 /nfs/dbraw/zinc/27/42/07/135274207.db2.gz VVISYKAEUBDEBM-JTQLQIEISA-N 1 0 221.304 0.546 20 30 BCEDRO C[NH+]=C(NCC(=O)Nc1cccnc1)NC1CC1 ZINC000262164966 135283147 /nfs/dbraw/zinc/28/31/47/135283147.db2.gz UASZLCFUXGRADJ-UHFFFAOYSA-N 1 0 247.302 0.348 20 30 BCEDRO CC(C)CNC(=[NH2+])NCC1=CCCOC1 ZINC000262250863 135288337 /nfs/dbraw/zinc/28/83/37/135288337.db2.gz CQIKOWLTVBHBJZ-UHFFFAOYSA-N 1 0 211.309 0.893 20 30 BCEDRO COCc1nc(CNC2=[NH+]C[C@@H](C)N2)cs1 ZINC000262280524 135289584 /nfs/dbraw/zinc/28/95/84/135289584.db2.gz IZVNZCCINAVQOG-SSDOTTSWSA-N 1 0 240.332 0.727 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)NCC1(CO)CCC1 ZINC000262287186 135290738 /nfs/dbraw/zinc/29/07/38/135290738.db2.gz WYXZWFWHCWYYBE-JTQLQIEISA-N 1 0 241.335 0.232 20 30 BCEDRO [NH2+]=C(NCC[C@@H]1CCOC1)NC[C@@H]1CCCO1 ZINC000262285205 135290762 /nfs/dbraw/zinc/29/07/62/135290762.db2.gz WKIDGROUONFQKF-MNOVXSKESA-N 1 0 241.335 0.496 20 30 BCEDRO C[C@@H]1CCC[C@@]1(O)CNC1=[NH+]CCN1C ZINC000262303490 135291886 /nfs/dbraw/zinc/29/18/86/135291886.db2.gz XVUUYTTVMYJVGS-MWLCHTKSSA-N 1 0 211.309 0.429 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])NCC(C)(C)C#N)CCO1 ZINC000262326017 135293392 /nfs/dbraw/zinc/29/33/92/135293392.db2.gz UCOJSHWHJVECHM-VIFPVBQESA-N 1 0 224.308 0.572 20 30 BCEDRO CCCNC(=[NH2+])NC[C@@H]1CCCS(=O)(=O)C1 ZINC000262337515 135293842 /nfs/dbraw/zinc/29/38/42/135293842.db2.gz XLOJTJCRDUOUOY-VIFPVBQESA-N 1 0 247.364 0.126 20 30 BCEDRO Cn1nncc1CNC(=[NH2+])NCC1CCC1 ZINC000262338255 135293915 /nfs/dbraw/zinc/29/39/15/135293915.db2.gz XUQJQEBNTJXTBR-UHFFFAOYSA-N 1 0 222.296 0.020 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2cnnn2C)C1 ZINC000262342169 135293997 /nfs/dbraw/zinc/29/39/97/135293997.db2.gz YVZWFVZDKKMGGT-SECBINFHSA-N 1 0 236.323 0.362 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])N[C@H]1C[C@H](O)C1(C)C ZINC000262409871 135295441 /nfs/dbraw/zinc/29/54/41/135295441.db2.gz CWCDTTHSKKAIBX-CIUDSAMLSA-N 1 0 213.325 0.849 20 30 BCEDRO CC(C)OCCNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262427513 135296149 /nfs/dbraw/zinc/29/61/49/135296149.db2.gz DDOJMDRJAWEBBN-SNVBAGLBSA-N 1 0 229.324 0.447 20 30 BCEDRO CN1CC[NH+]=C1NC[C@]1(C)CCCC[C@H]1O ZINC000262419796 135296259 /nfs/dbraw/zinc/29/62/59/135296259.db2.gz BAZIWTANGSQNNW-PWSUYJOCSA-N 1 0 225.336 0.819 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCc2cnn3ccccc23)N1 ZINC000262420231 135296337 /nfs/dbraw/zinc/29/63/37/135296337.db2.gz BCJSKLVTIDNGQG-SECBINFHSA-N 1 0 229.287 0.772 20 30 BCEDRO C[NH+]=C(NC1CC1)N[C@@H]1CCn2ccnc2C1 ZINC000262434223 135297077 /nfs/dbraw/zinc/29/70/77/135297077.db2.gz KVZDSVAHKNIPOI-SNVBAGLBSA-N 1 0 233.319 0.525 20 30 BCEDRO CCc1nnc(CNC(=[NH2+])NC2CC2)s1 ZINC000262376414 135298082 /nfs/dbraw/zinc/29/80/82/135298082.db2.gz NDXYITFHCUSETF-UHFFFAOYSA-N 1 0 225.321 0.667 20 30 BCEDRO N#CCC1(CNC(=[NH2+])N2CCOCC2)CC1 ZINC000262392453 135298538 /nfs/dbraw/zinc/29/85/38/135298538.db2.gz ITXVBOJPTOFREL-UHFFFAOYSA-N 1 0 222.292 0.327 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@H]1C[C@H](O)C1(C)C ZINC000262451265 135300014 /nfs/dbraw/zinc/30/00/14/135300014.db2.gz REYPZXSAEDFORI-CIUDSAMLSA-N 1 0 229.324 0.085 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])N[C@@H]2C[C@@H](O)C2(C)C)CCO1 ZINC000262455755 135300115 /nfs/dbraw/zinc/30/01/15/135300115.db2.gz LBMPHMPTOPWTHJ-OPRDCNLKSA-N 1 0 241.335 0.181 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@H]1C[C@@H](O)C1(C)C ZINC000262451268 135300345 /nfs/dbraw/zinc/30/03/45/135300345.db2.gz REYPZXSAEDFORI-XHNCKOQMSA-N 1 0 229.324 0.085 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@@H](O)C1(C)C ZINC000262451266 135300455 /nfs/dbraw/zinc/30/04/55/135300455.db2.gz REYPZXSAEDFORI-DJLDLDEBSA-N 1 0 229.324 0.085 20 30 BCEDRO CC(C)NC(=[NH2+])NCC1(CS(C)(=O)=O)CC1 ZINC000262453360 135300493 /nfs/dbraw/zinc/30/04/93/135300493.db2.gz KHPGBQFKAPLETC-UHFFFAOYSA-N 1 0 247.364 0.124 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CC1(C)C ZINC000262470786 135301035 /nfs/dbraw/zinc/30/10/35/135301035.db2.gz YZYVGFVTKSQWGA-DTWKUNHWSA-N 1 0 213.325 0.972 20 30 BCEDRO C=C(C)CNC(=[NH2+])N[C@@H]1CCn2ccnc2C1 ZINC000262471048 135301227 /nfs/dbraw/zinc/30/12/27/135301227.db2.gz NVPPPVWPDADBSW-SNVBAGLBSA-N 1 0 233.319 0.678 20 30 BCEDRO C[C@H]1C[NH+]=C(NC[C@@H]2COc3ccccc3O2)N1 ZINC000262477792 135301906 /nfs/dbraw/zinc/30/19/06/135301906.db2.gz CKNKWTYTALFDOK-VHSXEESVSA-N 1 0 247.298 0.764 20 30 BCEDRO CS[C@H](C)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262477117 135302104 /nfs/dbraw/zinc/30/21/04/135302104.db2.gz QJLYCTOBJIXCHB-DTWKUNHWSA-N 1 0 231.365 0.773 20 30 BCEDRO Cc1nccc(CNC(=[NH2+])N2CCO[C@@H](C)C2)n1 ZINC000262496213 135302792 /nfs/dbraw/zinc/30/27/92/135302792.db2.gz WMHAINSENWQWLK-VIFPVBQESA-N 1 0 249.318 0.320 20 30 BCEDRO C[C@@H]1CN(C(=[NH2+])NC[C@@]2(C)CCCO2)CCO1 ZINC000262506189 135303246 /nfs/dbraw/zinc/30/32/46/135303246.db2.gz ZWYBVHLSNMQCRN-ZYHUDNBSSA-N 1 0 241.335 0.591 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NCc1ccc(F)cn1 ZINC000262503617 135303448 /nfs/dbraw/zinc/30/34/48/135303448.db2.gz KYDXOFIAZMKUAX-QMMMGPOBSA-N 1 0 240.282 0.660 20 30 BCEDRO C[NH+]=C(NCc1nnc2n1CCC2)NC(C)C ZINC000262517012 135304241 /nfs/dbraw/zinc/30/42/41/135304241.db2.gz CWUNWLZAEMDTHX-UHFFFAOYSA-N 1 0 236.323 0.298 20 30 BCEDRO CC(C)CNC(=[NH2+])NC[C@@]1(C)CCOC1 ZINC000262533739 135304382 /nfs/dbraw/zinc/30/43/82/135304382.db2.gz OTULIRQBWDGJTJ-LLVKDONJSA-N 1 0 213.325 0.973 20 30 BCEDRO CN(C)C(=[NH2+])N[C@@H]1[C@H]2CCO[C@H]2C1(C)C ZINC000262540991 135305055 /nfs/dbraw/zinc/30/50/55/135305055.db2.gz RVLJWEWGNOANFY-IWSPIJDZSA-N 1 0 211.309 0.676 20 30 BCEDRO CN(C)C(=[NH+]C[C@](C)(O)c1ccco1)N(C)C ZINC000262547861 135305640 /nfs/dbraw/zinc/30/56/40/135305640.db2.gz WGDAHRDKLZBLKK-LBPRGKRZSA-N 1 0 239.319 0.966 20 30 BCEDRO CS(=O)(=O)CCNC(=[NH2+])N1CCCCCC1 ZINC000262549291 135305790 /nfs/dbraw/zinc/30/57/90/135305790.db2.gz STHBHHOCXWMBAO-UHFFFAOYSA-N 1 0 247.364 0.222 20 30 BCEDRO CNC(=[NH2+])NCc1c2c(nn1C)CCCC2 ZINC000262612725 135308649 /nfs/dbraw/zinc/30/86/49/135308649.db2.gz AZGDGRATZQJCQB-UHFFFAOYSA-N 1 0 221.308 0.333 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCc2cn3c(n2)CCCC3)N1 ZINC000262625050 135309560 /nfs/dbraw/zinc/30/95/60/135309560.db2.gz DGIYDBPRWAGMIH-JTQLQIEISA-N 1 0 247.346 0.699 20 30 BCEDRO C[C@H]1C[NH+]=C(NCC2([S@@](C)=O)CCC2)N1 ZINC000262629415 135309675 /nfs/dbraw/zinc/30/96/75/135309675.db2.gz FJZNIAWIANEOTR-VXJOIVPMSA-N 1 0 229.349 0.225 20 30 BCEDRO C[C@@H]1C[NH+]=C(NC[C@@](C)(O)C(F)(F)F)N1 ZINC000262632601 135309940 /nfs/dbraw/zinc/30/99/40/135309940.db2.gz GAPSQQGCJQDOMM-IYSWYEEDSA-N 1 0 225.214 0.237 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCN(C)CC(F)(F)F)N1 ZINC000262652111 135310971 /nfs/dbraw/zinc/31/09/71/135310971.db2.gz KQYNJBJKNBBEMO-ZETCQYMHSA-N 1 0 238.257 0.418 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCOC[C@@H]1C ZINC000262644140 135311209 /nfs/dbraw/zinc/31/12/09/135311209.db2.gz IQFGYARCINHHIG-GARJFASQSA-N 1 0 243.351 0.598 20 30 BCEDRO CO[C@@H]1CCC[C@H]1CNC1=[NH+]C[C@H](C)N1 ZINC000262656360 135311760 /nfs/dbraw/zinc/31/17/60/135311760.db2.gz LSUNRQLKLFGMRF-LPEHRKFASA-N 1 0 211.309 0.739 20 30 BCEDRO C[C@H]1C[NH+]=C(NCCN2CCOCC2(C)C)N1 ZINC000262654937 135311886 /nfs/dbraw/zinc/31/18/86/135311886.db2.gz LIDAEURVMFGKEH-JTQLQIEISA-N 1 0 240.351 0.035 20 30 BCEDRO CN1CC[NH+]=C1NCC[S@](=O)C(C)(C)C ZINC000262677728 135312983 /nfs/dbraw/zinc/31/29/83/135312983.db2.gz UOQXIQZZWNHFFI-HNNXBMFYSA-N 1 0 231.365 0.425 20 30 BCEDRO COCC(C)(C)CNC(=[NH2+])N1CCO[C@H](C)C1 ZINC000262703237 135314372 /nfs/dbraw/zinc/31/43/72/135314372.db2.gz LIYBTZGYFOXEHX-SNVBAGLBSA-N 1 0 243.351 0.694 20 30 BCEDRO [NH2+]=C(NCC1CC(F)(F)C1)N1CCOCC1 ZINC000262708153 135314970 /nfs/dbraw/zinc/31/49/70/135314970.db2.gz OCIXTDWTEUAMLT-UHFFFAOYSA-N 1 0 233.262 0.679 20 30 BCEDRO C[C@H]1OCC[C@@]1(O)CNC(=[NH2+])NCC1CCC1 ZINC000262716458 135315307 /nfs/dbraw/zinc/31/53/07/135315307.db2.gz DQOVPAPUPIYXKE-BXKDBHETSA-N 1 0 241.335 0.231 20 30 BCEDRO C[C@H]1OCC[C@]1(O)CNC(=[NH2+])NCC1CCC1 ZINC000262716461 135315533 /nfs/dbraw/zinc/31/55/33/135315533.db2.gz DQOVPAPUPIYXKE-SKDRFNHKSA-N 1 0 241.335 0.231 20 30 BCEDRO CCn1cccc(CNC(=[NH2+])N(C)C)c1=O ZINC000262724974 135315572 /nfs/dbraw/zinc/31/55/72/135315572.db2.gz GXFHIJLTAFNIHV-UHFFFAOYSA-N 1 0 222.292 0.245 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)NC1CCOCC1 ZINC000342725983 135315576 /nfs/dbraw/zinc/31/55/76/135315576.db2.gz TWSUFYGYDXCXQN-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)NC(=O)NCC=C ZINC000342728438 135315611 /nfs/dbraw/zinc/31/56/11/135315611.db2.gz HNZPOZZUYDBOQB-UHFFFAOYSA-N 1 0 225.292 0.506 20 30 BCEDRO COCCNC(=[NH2+])NCC1CCC(C#N)CC1 ZINC000262767487 135317072 /nfs/dbraw/zinc/31/70/72/135317072.db2.gz GOKZJCVAPKHMCS-UHFFFAOYSA-N 1 0 238.335 0.867 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NC[C@]1(O)CCO[C@H]1C ZINC000262772826 135317075 /nfs/dbraw/zinc/31/70/75/135317075.db2.gz LMQDETCTUKWLSY-ATZCPNFKSA-N 1 0 229.324 0.229 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NC[C@@]1(O)CCO[C@@H]1C ZINC000262772830 135317122 /nfs/dbraw/zinc/31/71/22/135317122.db2.gz LMQDETCTUKWLSY-NGZCFLSTSA-N 1 0 229.324 0.229 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@]1(O)CCc2ccccc21 ZINC000262758617 135317462 /nfs/dbraw/zinc/31/74/62/135317462.db2.gz CNZQHEDAFGWRFG-AWEZNQCLSA-N 1 0 245.326 0.911 20 30 BCEDRO Cc1ccc(CNC(=[NH2+])N(C)C)c(=O)n1C ZINC000262788252 135318180 /nfs/dbraw/zinc/31/81/80/135318180.db2.gz NDKLSLMJTJQEEJ-UHFFFAOYSA-N 1 0 222.292 0.070 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCCN2CCC2)C1 ZINC000262791682 135318439 /nfs/dbraw/zinc/31/84/39/135318439.db2.gz OFLYQAQWMXXAHI-LLVKDONJSA-N 1 0 224.352 0.739 20 30 BCEDRO [NH2+]=C(NC[C@@H]1CCCO1)NC[C@@H]1CCC=CO1 ZINC000262805856 135319050 /nfs/dbraw/zinc/31/90/50/135319050.db2.gz NLLSAZMTTICKDC-QWRGUYRKSA-N 1 0 239.319 0.762 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CCOC1)NCC1(O)CCC1 ZINC000262814713 135320236 /nfs/dbraw/zinc/32/02/36/135320236.db2.gz WKGYHTYCPLIZPO-JTQLQIEISA-N 1 0 241.335 0.103 20 30 BCEDRO C[C@@H]1OCC[C@@]1(O)C[NH+]=C(N(C)C)N(C)C ZINC000262866515 135321502 /nfs/dbraw/zinc/32/15/02/135321502.db2.gz URHDJKXZPRARGF-GXSJLCMTSA-N 1 0 229.324 0.006 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])N[C@@H]1C[C@H](OC)C1(C)C ZINC000262855793 135321557 /nfs/dbraw/zinc/32/15/57/135321557.db2.gz XYNAWMNRXHFRCL-AEJSXWLSSA-N 1 0 243.351 0.739 20 30 BCEDRO Cn1ccc(CNC(=[NH2+])NC[C@H]2CCCO2)n1 ZINC000262921288 135324051 /nfs/dbraw/zinc/32/40/51/135324051.db2.gz GWGZMWJUZOHWPG-SNVBAGLBSA-N 1 0 237.307 0.003 20 30 BCEDRO C[C@H]1CCCN(C(=[NH2+])NCc2ccn(C)n2)C1 ZINC000263038537 135328068 /nfs/dbraw/zinc/32/80/68/135328068.db2.gz SMQLQZQVWRKSCW-JTQLQIEISA-N 1 0 235.335 0.967 20 30 BCEDRO CCn1nc(C)c(CNC(=[NH2+])NC(C)(C)C)n1 ZINC000263038406 135328500 /nfs/dbraw/zinc/32/85/00/135328500.db2.gz IJXWIDMXYCNINS-UHFFFAOYSA-N 1 0 238.339 0.809 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2ccn(C)n2)C1 ZINC000263038538 135328553 /nfs/dbraw/zinc/32/85/53/135328553.db2.gz SMQLQZQVWRKSCW-SNVBAGLBSA-N 1 0 235.335 0.967 20 30 BCEDRO [NH2+]=C(NCCc1cccs1)N[C@H]1C[C@@H](O)C1 ZINC000263055114 135329522 /nfs/dbraw/zinc/32/95/22/135329522.db2.gz DWEDMGAUSRQIRT-DTORHVGOSA-N 1 0 239.344 0.718 20 30 BCEDRO Cc1ccc(CNC2=[NH+]CCCN2C)c(=O)n1C ZINC000263058245 135329839 /nfs/dbraw/zinc/32/98/39/135329839.db2.gz FFDVRLUOEFBWBT-UHFFFAOYSA-N 1 0 248.330 0.475 20 30 BCEDRO C[C@H]1CN(C(=[NH2+])N[C@H]2CC23CC3)CCO1 ZINC000263057299 135330078 /nfs/dbraw/zinc/33/00/78/135330078.db2.gz LZERRMZGEVWLJZ-IUCAKERBSA-N 1 0 209.293 0.574 20 30 BCEDRO CCO[C@H]1C[C@@H](NC2=[NH+]CCCN2C)C1 ZINC000263109878 135333324 /nfs/dbraw/zinc/33/33/24/135333324.db2.gz KYTUFISUHPYDBI-AOOOYVTPSA-N 1 0 211.309 0.835 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CCC[C@H]1OC ZINC000263174241 135337193 /nfs/dbraw/zinc/33/71/93/135337193.db2.gz SLEOGHNRJLCEJI-VHSXEESVSA-N 1 0 211.309 0.892 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CCC[C@@H]1OC ZINC000263174237 135337369 /nfs/dbraw/zinc/33/73/69/135337369.db2.gz SLEOGHNRJLCEJI-UWVGGRQHSA-N 1 0 211.309 0.892 20 30 BCEDRO C[C@]1(CNC(=[NH2+])NCC2CCC2)CCC(=O)N1 ZINC000263205516 135339635 /nfs/dbraw/zinc/33/96/35/135339635.db2.gz YDNQXRFCMJXPFM-GFCCVEGCSA-N 1 0 238.335 0.360 20 30 BCEDRO [NH2+]=C(NCCn1ccnc1)NCC1CCC1 ZINC000263242476 135341769 /nfs/dbraw/zinc/34/17/69/135341769.db2.gz LSTCERLHQSNLLH-UHFFFAOYSA-N 1 0 221.308 0.588 20 30 BCEDRO CC[C@@H](C)NC(NCc1ccnn1C)=[NH+]C ZINC000263274741 135343748 /nfs/dbraw/zinc/34/37/48/135343748.db2.gz XYUCJACCTGCZLN-SECBINFHSA-N 1 0 223.324 0.884 20 30 BCEDRO NC(=[NH2+])NCCCCNc1ccccn1 ZINC000264266885 135361765 /nfs/dbraw/zinc/36/17/65/135361765.db2.gz KTVSHCPJAOZTDX-UHFFFAOYSA-N 1 0 207.281 0.547 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@H+]1C[C@H](O)[C@H](CC)C1 ZINC000270957339 135365437 /nfs/dbraw/zinc/36/54/37/135365437.db2.gz ULASWJDKJMECLO-AXFHLTTASA-N 1 0 226.320 0.380 20 30 BCEDRO C=C[C@@H](CO)[NH2+][C@H](C)CC(=O)N(CC)CC ZINC000289677736 135373874 /nfs/dbraw/zinc/37/38/74/135373874.db2.gz HNKXNNCGNZESHC-MNOVXSKESA-N 1 0 228.336 0.770 20 30 BCEDRO CC(C)CNC(=[NH2+])NCCc1cn[nH]c1 ZINC000290425581 135374777 /nfs/dbraw/zinc/37/47/77/135374777.db2.gz AOCFNRJLRNCJPK-UHFFFAOYSA-N 1 0 209.297 0.513 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](CO)C(C)(C)C ZINC000294066189 135377896 /nfs/dbraw/zinc/37/78/96/135377896.db2.gz KHICRYFDNTUFRP-JTQLQIEISA-N 1 0 226.320 0.123 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCCC[C@H]1C(N)=O ZINC000294543969 135378086 /nfs/dbraw/zinc/37/80/86/135378086.db2.gz KLAIAZOCEWDFOI-MNOVXSKESA-N 1 0 226.320 0.823 20 30 BCEDRO C#CCN(C)CCC[NH2+][C@@H](C)CC(=O)NC ZINC000295028670 135378772 /nfs/dbraw/zinc/37/87/72/135378772.db2.gz OIFHYBQGIWVXOB-NSHDSACASA-N 1 0 225.336 0.056 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+](C)CC[C@H](C)O ZINC000075781128 135391661 /nfs/dbraw/zinc/39/16/61/135391661.db2.gz RXJBWTAKWWMQOB-UWVGGRQHSA-N 1 0 214.309 0.380 20 30 BCEDRO C[C@H](C#N)C(=O)NC1(C[NH+](C)C)CCC1 ZINC000332012472 135396565 /nfs/dbraw/zinc/39/65/65/135396565.db2.gz HAFSNTQUNICKLZ-SECBINFHSA-N 1 0 209.293 0.747 20 30 BCEDRO C[C@H](CO)CNC(=O)N[C@@H]1CC[C@@H]([NH+](C)C)C1 ZINC000330566240 135480287 /nfs/dbraw/zinc/48/02/87/135480287.db2.gz AUMLRAGUKZIHEP-HBNTYKKESA-N 1 0 243.351 0.601 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H]1CCOC1 ZINC000134402427 135535607 /nfs/dbraw/zinc/53/56/07/135535607.db2.gz XKIVAUOKSGFUMN-UWVGGRQHSA-N 1 0 212.293 0.303 20 30 BCEDRO C=CCOCCCC(=O)N(C)C1CC([NH3+])C1 ZINC000294868014 135680151 /nfs/dbraw/zinc/68/01/51/135680151.db2.gz PAQZPDWLGUOADG-UHFFFAOYSA-N 1 0 226.320 0.917 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)NCCCC#N ZINC000343925049 135710856 /nfs/dbraw/zinc/71/08/56/135710856.db2.gz RPWYJYFXYSWJFV-SNVBAGLBSA-N 1 0 226.324 0.930 20 30 BCEDRO CCN(CC#N)C(=O)[C@H](C(C)C)[NH+](C)C ZINC000344169737 135750810 /nfs/dbraw/zinc/75/08/10/135750810.db2.gz DACLMSKGLDAGOS-JTQLQIEISA-N 1 0 211.309 0.945 20 30 BCEDRO N#Cc1ccc(C[NH2+]C[C@@H](O)[C@@H]2CCOC2)o1 ZINC000344483937 135773421 /nfs/dbraw/zinc/77/34/21/135773421.db2.gz VGQIPVYAEWRWMM-BXKDBHETSA-N 1 0 236.271 0.638 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](N2CCNC2=O)C1 ZINC000367007638 136010999 /nfs/dbraw/zinc/01/09/99/136010999.db2.gz RVGSGOXLLYWLKK-LLVKDONJSA-N 1 0 221.304 0.499 20 30 BCEDRO C=CCOCCC[N@@H+](C)CC(C)(CO)CO ZINC000348026019 136026861 /nfs/dbraw/zinc/02/68/61/136026861.db2.gz DGBUCSXDKKOFDH-UHFFFAOYSA-N 1 0 231.336 0.502 20 30 BCEDRO C=CCOCCC[N@@H+](C)CCNC(=O)N(C)C ZINC000348031744 136027855 /nfs/dbraw/zinc/02/78/55/136027855.db2.gz KOVOZYAFUVPPIO-UHFFFAOYSA-N 1 0 243.351 0.782 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@H]2OCCN(C)[C@H]2C1 ZINC000348042176 136029220 /nfs/dbraw/zinc/02/92/20/136029220.db2.gz ZJPVTYRFFCJDLF-QWHCGFSZSA-N 1 0 240.347 0.594 20 30 BCEDRO C=CCOCCC[N@@H+]1CCO[C@H](C(=O)NC)C1 ZINC000348047098 136029993 /nfs/dbraw/zinc/02/99/93/136029993.db2.gz LBXUZMRKHREOEW-NSHDSACASA-N 1 0 242.319 0.026 20 30 BCEDRO CC#CC[N@@H+]1C[C@H](N2CCOCC2)C[C@@H]1C ZINC000335313590 136031551 /nfs/dbraw/zinc/03/15/51/136031551.db2.gz QNAPKIWXXXBTHT-QWHCGFSZSA-N 1 0 222.332 0.805 20 30 BCEDRO C=CCOCCC[N@H+]1C[C@H](O)C[C@@H]1CO ZINC000348054927 136031910 /nfs/dbraw/zinc/03/19/10/136031910.db2.gz ZFPWKEZZLVGZGA-GHMZBOCLSA-N 1 0 215.293 0.007 20 30 BCEDRO C=CCOCCCN1CC[NH+](C[C@@H](C)O)CC1 ZINC000348118666 136032557 /nfs/dbraw/zinc/03/25/57/136032557.db2.gz MDVDUCOVJFIANZ-CYBMUJFWSA-N 1 0 242.363 0.578 20 30 BCEDRO C[NH+](C)[C@@H]1CCC[C@H](NC(=O)CC#N)C1 ZINC000335327905 136052542 /nfs/dbraw/zinc/05/25/42/136052542.db2.gz HGGKDWWUQNKCAQ-VHSXEESVSA-N 1 0 209.293 0.889 20 30 BCEDRO C[C@H]([NH2+]CC(=O)NCC#N)c1cccc(O)c1 ZINC000181554719 397809061 /nfs/dbraw/zinc/80/90/61/397809061.db2.gz JVGYEYOWTKPBFG-VIFPVBQESA-N 1 0 233.271 0.683 20 30 BCEDRO C#CCN(CC#C)CCn1cc(C)cn1 ZINC000491210341 397796918 /nfs/dbraw/zinc/79/69/18/397796918.db2.gz SLZWBLULYFADCG-UHFFFAOYSA-N 1 0 201.273 0.760 20 30 BCEDRO CC[C@@H](C#N)NC(=O)/C=C/c1ncc[nH]1 ZINC000493268169 397928021 /nfs/dbraw/zinc/92/80/21/397928021.db2.gz ZMJLXJHSHMVIOK-RTMURIBGSA-N 1 0 204.233 0.841 20 30 BCEDRO CC[N@H+](C)C[C@H](O)CN1CCC[C@](C)(C#N)C1 ZINC000593977331 397964980 /nfs/dbraw/zinc/96/49/80/397964980.db2.gz PLRBWISOWXNJLX-QWHCGFSZSA-N 1 0 239.363 0.925 20 30 BCEDRO C=CC[C@H](CC)[NH2+]CCC(=O)NC(N)=O ZINC000591765633 397934681 /nfs/dbraw/zinc/93/46/81/397934681.db2.gz LQIVXYVYPBIQDQ-QMMMGPOBSA-N 1 0 213.281 0.516 20 30 BCEDRO N#CCSCCC[N@H+]1CC[C@@](O)(CC#N)C1 ZINC000592151644 397944840 /nfs/dbraw/zinc/94/48/40/397944840.db2.gz PXHAPEOXBDTWHD-NSHDSACASA-N 1 0 239.344 0.984 20 30 BCEDRO COC[C@H](C)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592523307 397950797 /nfs/dbraw/zinc/95/07/97/397950797.db2.gz YDVZNJSOEMUEMI-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO Cc1ccc(O)c(C[N@@H+]2CC[C@@](O)(CC#N)C2)n1 ZINC000592523363 397950953 /nfs/dbraw/zinc/95/09/53/397950953.db2.gz YZNIRWPZNPVWAU-ZDUSSCGKSA-N 1 0 247.298 0.946 20 30 BCEDRO COC[C@@H](C)C[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000592523311 397951024 /nfs/dbraw/zinc/95/10/24/397951024.db2.gz YDVZNJSOEMUEMI-WDEREUQCSA-N 1 0 212.293 0.619 20 30 BCEDRO N#CCCC[N@H+]1CCC[C@]12CCNC2=O ZINC000593996186 397963292 /nfs/dbraw/zinc/96/32/92/397963292.db2.gz NBBFSVNSWQJJGZ-LLVKDONJSA-N 1 0 207.277 0.645 20 30 BCEDRO C[C@@H](CC#N)[NH2+]CCN1C[C@H]2CC[C@@H](C1)O2 ZINC000590800519 397915572 /nfs/dbraw/zinc/91/55/72/397915572.db2.gz YVSBZUJMUNDWBL-SDDRHHMPSA-N 1 0 223.320 0.741 20 30 BCEDRO C=CCCCN(C)C(=O)C(=O)N(CC)CC[NH3+] ZINC000629799115 397992173 /nfs/dbraw/zinc/99/21/73/397992173.db2.gz MTVWDHGSHAPXJF-UHFFFAOYSA-N 1 0 241.335 0.218 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)/C=C/c1ncc[nH]1 ZINC000491513074 398045384 /nfs/dbraw/zinc/04/53/84/398045384.db2.gz AGIQTAKHFQYPSG-AATRIKPKSA-N 1 0 246.314 0.494 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)N[C@@H]1CC[NH2+][C@H]1C ZINC000599937434 398045716 /nfs/dbraw/zinc/04/57/16/398045716.db2.gz FSGDIKBAZHOODR-KXUCPTDWSA-N 1 0 224.308 0.538 20 30 BCEDRO CNC(=[NH2+])NCCc1cn2c(n1)SCC2 ZINC000274336292 398009696 /nfs/dbraw/zinc/00/96/96/398009696.db2.gz NDCGCHCMPUDCCB-UHFFFAOYSA-N 1 0 225.321 0.065 20 30 BCEDRO COCCC[N@H+](C)CCNC(=O)[C@@H](C)CC#N ZINC000597294165 398014148 /nfs/dbraw/zinc/01/41/48/398014148.db2.gz LRQJTFCLECTYAU-NSHDSACASA-N 1 0 241.335 0.621 20 30 BCEDRO C[C@H](C(=O)N[C@@H](C#N)CO)[NH+]1CCCCCC1 ZINC000597746048 398017162 /nfs/dbraw/zinc/01/71/62/398017162.db2.gz HOCYYZLWJLASCN-MNOVXSKESA-N 1 0 239.319 0.252 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000490701384 398027707 /nfs/dbraw/zinc/02/77/07/398027707.db2.gz WBKKVFOTTIPBPY-LBPRGKRZSA-N 1 0 218.300 0.566 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)COCC1CC1 ZINC000491266291 398034510 /nfs/dbraw/zinc/03/45/10/398034510.db2.gz ORUWJFDOOHXRBH-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C[C@H]1SCCN(CC(=O)NCC#N)[C@@H]1C ZINC000118418412 397983446 /nfs/dbraw/zinc/98/34/46/397983446.db2.gz HANAWLWDKYDTBM-RKDXNWHRSA-N 1 0 227.333 0.452 20 30 BCEDRO C[C@@H]1SCCN(CC(=O)NCC#N)[C@H]1C ZINC000118418409 397983724 /nfs/dbraw/zinc/98/37/24/397983724.db2.gz HANAWLWDKYDTBM-IUCAKERBSA-N 1 0 227.333 0.452 20 30 BCEDRO C=CCC[C@H](CO)NC(=O)NC[C@H](C)[NH+](C)C ZINC000459066149 398043852 /nfs/dbraw/zinc/04/38/52/398043852.db2.gz UWOVMPWBNFTQDE-WDEREUQCSA-N 1 0 243.351 0.563 20 30 BCEDRO COCCN1CC[C@@H]([NH2+]CC2(C#N)CCC2)C1 ZINC000418138675 397988787 /nfs/dbraw/zinc/98/87/87/397988787.db2.gz GVSAAXVDEWMFBW-GFCCVEGCSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)[C@H](O)C(C)C ZINC000491674915 398059497 /nfs/dbraw/zinc/05/94/97/398059497.db2.gz LFDJFLYLZHYAMM-DGCLKSJQSA-N 1 0 240.347 0.511 20 30 BCEDRO C#CCN1C(=O)C[C@@H]([NH+]2CCC(C)(C)CC2)C1=O ZINC000491705210 398061494 /nfs/dbraw/zinc/06/14/94/398061494.db2.gz LHXQEEQCPPOAOC-LLVKDONJSA-N 1 0 248.326 0.869 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCCOC ZINC000491708993 398062070 /nfs/dbraw/zinc/06/20/70/398062070.db2.gz QTHMPCRFHJJACC-UHFFFAOYSA-N 1 0 212.293 0.142 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CS[C@H](C)C1 ZINC000491709463 398062128 /nfs/dbraw/zinc/06/21/28/398062128.db2.gz QKYDKMVMMRXWBE-NXEZZACHSA-N 1 0 226.345 0.610 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCOCC(=C)C ZINC000491765991 398066137 /nfs/dbraw/zinc/06/61/37/398066137.db2.gz DNYJSVWTJPMKIN-UHFFFAOYSA-N 1 0 224.304 0.308 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CCC[C@](C)(OC)C1 ZINC000491766009 398066184 /nfs/dbraw/zinc/06/61/84/398066184.db2.gz CWMMGTXNZPELFT-ZDUSSCGKSA-N 1 0 238.331 0.627 20 30 BCEDRO C#C[C@@H](CC)NC(=[NH2+])NCCCOCC ZINC000491768223 398067177 /nfs/dbraw/zinc/06/71/77/398067177.db2.gz HRYZXLCFXMIOBR-JTQLQIEISA-N 1 0 211.309 0.939 20 30 BCEDRO C[C@H]([NH2+]C1CCN(CC#N)CC1)[C@@H]1CCOC1 ZINC000610812650 398071784 /nfs/dbraw/zinc/07/17/84/398071784.db2.gz GIGSGVVTXGAATQ-NWDGAFQWSA-N 1 0 237.347 0.989 20 30 BCEDRO C[C@@H]([NH3+])[C@@H]1CCN(C(=O)C2(C#N)CCC2)C1 ZINC000602480251 398074597 /nfs/dbraw/zinc/07/45/97/398074597.db2.gz BLDSDAVIQKERGZ-NXEZZACHSA-N 1 0 221.304 0.876 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCOC[C@H]1C ZINC000491801496 398074739 /nfs/dbraw/zinc/07/47/39/398074739.db2.gz CQJLCNHXFMNRKW-VXGBXAGGSA-N 1 0 238.331 0.388 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C[C@H](O)C[C@H]1COC ZINC000649743467 398081321 /nfs/dbraw/zinc/08/13/21/398081321.db2.gz SOLZZCRLJRYHKT-QJPTWQEYSA-N 1 0 229.320 0.395 20 30 BCEDRO C=CCC[C@H](CO)[NH2+]C1CCN(C(C)=O)CC1 ZINC000320747137 398096168 /nfs/dbraw/zinc/09/61/68/398096168.db2.gz NAKHKXBLGQYSNM-CYBMUJFWSA-N 1 0 240.347 0.914 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC1([NH3+])CCC1 ZINC000491641685 398053964 /nfs/dbraw/zinc/05/39/64/398053964.db2.gz SEOLNOXONMBZHR-UHFFFAOYSA-N 1 0 233.315 0.536 20 30 BCEDRO COC(=O)[C@H]1[C@@H](O)CCCN1CCCCC#N ZINC000189578938 398057609 /nfs/dbraw/zinc/05/76/09/398057609.db2.gz SIKXFOIQXUPGAW-WDEREUQCSA-N 1 0 240.303 0.679 20 30 BCEDRO CCO[C@@H](C)C(=O)NC1(C#N)CC[NH+](C)CC1 ZINC000521604586 398096675 /nfs/dbraw/zinc/09/66/75/398096675.db2.gz LJDUOPIMZOCVHT-JTQLQIEISA-N 1 0 239.319 0.516 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC[C@H](C)OC)CC1 ZINC000189115780 398097607 /nfs/dbraw/zinc/09/76/07/398097607.db2.gz YGXNGQVTDTZFIZ-NSHDSACASA-N 1 0 238.331 0.483 20 30 BCEDRO CCN(CCO)CC[NH2+][C@@H]1CCC[C@H](C#N)C1 ZINC000193297766 398114228 /nfs/dbraw/zinc/11/42/28/398114228.db2.gz UAYUGOKXBIIAJH-QWHCGFSZSA-N 1 0 239.363 0.973 20 30 BCEDRO C[C@@H]1C[N@H+](C)[C@H](C)CN1c1ccc(C#N)nn1 ZINC000611256822 398125832 /nfs/dbraw/zinc/12/58/32/398125832.db2.gz AONOIJOQLFEHBX-NXEZZACHSA-N 1 0 231.303 0.877 20 30 BCEDRO C=CCNC(=O)CN1C[C@@H](C)OCC12CCC2 ZINC000649825893 398128036 /nfs/dbraw/zinc/12/80/36/398128036.db2.gz JCDZDVYFGGZXKZ-LLVKDONJSA-N 1 0 238.331 0.932 20 30 BCEDRO N#Cc1ccc(CN2C[C@@H](O)C3(CC3)C2)nc1 ZINC000572012383 398129461 /nfs/dbraw/zinc/12/94/61/398129461.db2.gz YBBZKYRYQHDBTK-GFCCVEGCSA-N 1 0 229.283 0.910 20 30 BCEDRO C#CCNC(=O)[C@@H]1C[C@@H]2CCCC[C@H]2[NH2+]1 ZINC000250627533 322870788 /nfs/dbraw/zinc/87/07/88/322870788.db2.gz BWVGLAMITFDCIA-AXFHLTTASA-N 1 0 206.289 0.657 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000424204441 487574833 /nfs/dbraw/zinc/57/48/33/487574833.db2.gz DRLMRDMEBFCJMO-SCVCMEIPSA-N 1 0 238.331 0.834 20 30 BCEDRO C#CC(C)(C)NC(=O)C1CC[NH+](C)CC1 ZINC000266859844 166111744 /nfs/dbraw/zinc/11/17/44/166111744.db2.gz UCQMFJOGGHXHNN-UHFFFAOYSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCCNC(=O)c1c[nH+]ccc1N(C)C ZINC000273601446 166148342 /nfs/dbraw/zinc/14/83/42/166148342.db2.gz LHQNCPOAWFQDJQ-UHFFFAOYSA-N 1 0 217.272 0.901 20 30 BCEDRO C#CCCCN1CCN(c2cnn(C)c2)C(=O)C1 ZINC000271032561 166131585 /nfs/dbraw/zinc/13/15/85/166131585.db2.gz LCFBERILXAEKCR-UHFFFAOYSA-N 1 0 246.314 0.482 20 30 BCEDRO C#CCCCN1CCn2nc(C)nc2C1 ZINC000271045071 166131743 /nfs/dbraw/zinc/13/17/43/166131743.db2.gz OBOMRXTXVPMOHI-UHFFFAOYSA-N 1 0 204.277 0.816 20 30 BCEDRO N#Cc1ccc(NCC[NH+]2CCC2)nc1 ZINC000336740630 409632340 /nfs/dbraw/zinc/63/23/40/409632340.db2.gz UNFCQSUKIRRMGP-UHFFFAOYSA-N 1 0 202.261 1.071 20 30 BCEDRO C#CCC[NH+]1CCC(CCC(N)=O)CC1 ZINC000271236785 166136515 /nfs/dbraw/zinc/13/65/15/166136515.db2.gz NJQXPSFBKCFCHS-UHFFFAOYSA-N 1 0 208.305 0.987 20 30 BCEDRO C=CC[C@@H](C)NC(=O)[C@]12C[NH2+]C[C@H]1COC2 ZINC000653092811 409686831 /nfs/dbraw/zinc/68/68/31/409686831.db2.gz LSTMGYGTYRGDCS-SCVCMEIPSA-N 1 0 224.304 0.303 20 30 BCEDRO C=CC[C@@]1(C(=O)NCC[C@H](O)CC)CCC[NH2+]1 ZINC000662554957 409755847 /nfs/dbraw/zinc/75/58/47/409755847.db2.gz DPIGSWJBCNLQOO-YPMHNXCESA-N 1 0 240.347 0.962 20 30 BCEDRO C=CCOCCCNC(=O)CC(C)(C)[NH3+] ZINC000662664283 409822723 /nfs/dbraw/zinc/82/27/23/409822723.db2.gz QMDPFDGJPFDTMM-UHFFFAOYSA-N 1 0 214.309 0.823 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]([NH3+])C(C)C ZINC000662664954 409823842 /nfs/dbraw/zinc/82/38/42/409823842.db2.gz YAUPWIBKLVKRSK-SNVBAGLBSA-N 1 0 214.309 0.679 20 30 BCEDRO C=CCOCCCC(=O)N1CC2CC1(C[NH3+])C2 ZINC000662678308 409830241 /nfs/dbraw/zinc/83/02/41/409830241.db2.gz DXWKXUXSCMXBCB-UHFFFAOYSA-N 1 0 238.331 0.919 20 30 BCEDRO C=CC[C@@]1(C(=O)N[C@@H](C)CCCO)CCC[NH2+]1 ZINC000662612148 409786688 /nfs/dbraw/zinc/78/66/88/409786688.db2.gz UDYHIOUVIYYLQK-AAEUAGOBSA-N 1 0 240.347 0.962 20 30 BCEDRO C=CC[N@@H+](CCCCS(C)(=O)=O)CCOC ZINC000683041064 487611811 /nfs/dbraw/zinc/61/18/11/487611811.db2.gz NUCMGHMLWHMEOF-UHFFFAOYSA-N 1 0 249.376 0.946 20 30 BCEDRO CNC(NCC(=O)NCCc1ccccc1)=[NH+]C ZINC000076105433 410055417 /nfs/dbraw/zinc/05/54/17/410055417.db2.gz NJBGCPSTZNVYIB-UHFFFAOYSA-N 1 0 248.330 0.140 20 30 BCEDRO COC[C@H](O)CC[NH2+]Cc1ccc(C#N)o1 ZINC000127478265 410201976 /nfs/dbraw/zinc/20/19/76/410201976.db2.gz FPGQCXANLQALOC-SECBINFHSA-N 1 0 224.260 0.638 20 30 BCEDRO C=CCCOCC(=O)NC[C@@H](C)C[NH3+] ZINC000309095388 410243129 /nfs/dbraw/zinc/24/31/29/410243129.db2.gz CQEZZZDMDVIZPV-VIFPVBQESA-N 1 0 200.282 0.290 20 30 BCEDRO C#CC(C)(C)N(C)CC(=O)N(C)C1CC1 ZINC000279334093 166108560 /nfs/dbraw/zinc/10/85/60/166108560.db2.gz UEVOLCBLKHEQEG-UHFFFAOYSA-N 1 0 208.305 0.951 20 30 BCEDRO C=CC[N@H+](C[C@H]1CNC(=O)C1)[C@H](C)COC ZINC000661239302 410398100 /nfs/dbraw/zinc/39/81/00/410398100.db2.gz FCVDPPKQGQIMIB-GHMZBOCLSA-N 1 0 226.320 0.645 20 30 BCEDRO C=CC[N@H+](C[C@H]1CNC(=O)C1)[C@@H](C)COC ZINC000661239305 410398126 /nfs/dbraw/zinc/39/81/26/410398126.db2.gz FCVDPPKQGQIMIB-WDEREUQCSA-N 1 0 226.320 0.645 20 30 BCEDRO C#CCN(C)C(=O)c1c[nH+]ccc1N(C)C ZINC000276958689 166158643 /nfs/dbraw/zinc/15/86/43/166158643.db2.gz LTLBZGOKVPEIHD-UHFFFAOYSA-N 1 0 217.272 0.853 20 30 BCEDRO C#CC[N@@H+](CCCOC(=O)NC(N)=O)C1CC1 ZINC000274020670 166169895 /nfs/dbraw/zinc/16/98/95/166169895.db2.gz CCOXIDKZXZFASR-UHFFFAOYSA-N 1 0 239.275 0.279 20 30 BCEDRO C#CC[N@@H+](CCCC(=O)NC(N)=O)C1CC1 ZINC000274236782 166170475 /nfs/dbraw/zinc/17/04/75/166170475.db2.gz XGRAUUHDDJRDOO-UHFFFAOYSA-N 1 0 223.276 0.059 20 30 BCEDRO C#CCNC(=O)NC[C@H]1CCC[N@H+]1CC ZINC000265463126 166179922 /nfs/dbraw/zinc/17/99/22/166179922.db2.gz YDPFQGDJPBKZQR-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C#CC[NH2+][C@H](Cc1ccccc1)C(N)=O ZINC000273349480 166192313 /nfs/dbraw/zinc/19/23/13/166192313.db2.gz ARAZEMWOARKTII-LLVKDONJSA-N 1 0 202.257 0.306 20 30 BCEDRO C#C[C@H](C)NC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000274789810 166216334 /nfs/dbraw/zinc/21/63/34/166216334.db2.gz YAVYSOSOXBIMFN-QWRGUYRKSA-N 1 0 224.304 0.093 20 30 BCEDRO C=CCCNC(=O)N(CCOC)CC[NH+](C)C ZINC000665945083 487616880 /nfs/dbraw/zinc/61/68/80/487616880.db2.gz CWYGBMLPYLHCJA-UHFFFAOYSA-N 1 0 243.351 0.782 20 30 BCEDRO C=CCCC[N@@H+](CCOC)CC(=O)N(C)C ZINC000118000634 166235415 /nfs/dbraw/zinc/23/54/15/166235415.db2.gz USOCVRSHPJTUOU-UHFFFAOYSA-N 1 0 228.336 0.989 20 30 BCEDRO C=CCCC[N@H+]1CCC[C@H](O)[C@H]1C(=O)OC ZINC000189595077 166235500 /nfs/dbraw/zinc/23/55/00/166235500.db2.gz LZZPTKCEBHNAPR-QWRGUYRKSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CCCC[NH2+]Cc1cn(C)c(=O)n(C)c1=O ZINC000279177739 166241883 /nfs/dbraw/zinc/24/18/83/166241883.db2.gz RJYOOJMFSGXBOF-UHFFFAOYSA-N 1 0 237.303 0.140 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N(C)[C@@H](C)C[NH3+] ZINC000179204433 166274447 /nfs/dbraw/zinc/27/44/47/166274447.db2.gz VDRVXRNFXDWZEI-VHSXEESVSA-N 1 0 214.309 0.773 20 30 BCEDRO C=CCCO[C@H](C)C(=O)N[C@H]1CC[NH2+]C1 ZINC000127878978 166276664 /nfs/dbraw/zinc/27/66/64/166276664.db2.gz WLSQENZNGDZWNY-ZJUUUORDSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CCC[C@@H](O)C[NH+]1CC(O)(C2CC2)C1 ZINC000375468072 166297432 /nfs/dbraw/zinc/29/74/32/166297432.db2.gz KEIDSEPJXVNSHG-LLVKDONJSA-N 1 0 211.305 0.770 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](C)[C@@H]1CCN(C)C1=O ZINC000268597153 166304314 /nfs/dbraw/zinc/30/43/14/166304314.db2.gz WTXKCZMWXQUFKX-WDEREUQCSA-N 1 0 226.320 0.476 20 30 BCEDRO C=CC[N@@H+](C)C[C@](C)(O)C(=O)OCC ZINC000275182500 166320244 /nfs/dbraw/zinc/32/02/44/166320244.db2.gz NJWGKNUGXIASQA-JTQLQIEISA-N 1 0 201.266 0.418 20 30 BCEDRO C=CCN(C)C(=O)NC[C@H]1C[N@H+](C)CCN1C ZINC000275065211 166316379 /nfs/dbraw/zinc/31/63/79/166316379.db2.gz JKPDLFFAKKSPKJ-NSHDSACASA-N 1 0 240.351 0.060 20 30 BCEDRO C=CC[NH+](CC=C)C[C@](C)(O)C(=O)OCC ZINC000274145550 166335138 /nfs/dbraw/zinc/33/51/38/166335138.db2.gz BFABTYHWRNLWED-LBPRGKRZSA-N 1 0 227.304 0.975 20 30 BCEDRO C=CCNC(=O)C[N@@H+](C)[C@@H]1CCSC1 ZINC000119900574 166364980 /nfs/dbraw/zinc/36/49/80/166364980.db2.gz QLTGXBCSLHRFJQ-SECBINFHSA-N 1 0 214.334 0.726 20 30 BCEDRO C=CCN1CCN(C(=O)[C@@]2(C)CC[NH2+]C2)CC1 ZINC000062898756 166355210 /nfs/dbraw/zinc/35/52/10/166355210.db2.gz BWLGLZGRZMUXOL-ZDUSSCGKSA-N 1 0 237.347 0.316 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)C[C@H]1CCOC1 ZINC000178356173 166365151 /nfs/dbraw/zinc/36/51/51/166365151.db2.gz WYFYIKSBPRUBHN-SNVBAGLBSA-N 1 0 212.293 0.257 20 30 BCEDRO C=CCNC(=O)C[NH+]1CCC(c2ncc[nH]2)CC1 ZINC000265477984 166365269 /nfs/dbraw/zinc/36/52/69/166365269.db2.gz KBLROBBRPCWZPI-UHFFFAOYSA-N 1 0 248.330 0.891 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H](C)[C@H]1C[NH3+] ZINC000069727203 166365492 /nfs/dbraw/zinc/36/54/92/166365492.db2.gz OOCCYURYGHJKFH-WDEREUQCSA-N 1 0 225.336 0.348 20 30 BCEDRO C=CCNC(=O)C[N@H+](C)C[C@H]1CCC[C@H]1O ZINC000270208721 166366033 /nfs/dbraw/zinc/36/60/33/166366033.db2.gz XZKYLOOGGCTNCV-GHMZBOCLSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H](C)[C@H](C)C(=O)OCC ZINC000274131132 166370498 /nfs/dbraw/zinc/37/04/98/166370498.db2.gz YIQYUXREAHOCLG-UWVGGRQHSA-N 1 0 242.319 0.466 20 30 BCEDRO C=CCNC(=O)N1CC[C@H]2OCCN(C)[C@H]2C1 ZINC000283887130 166375688 /nfs/dbraw/zinc/37/56/88/166375688.db2.gz HHPOCNHNCTVHAM-WDEREUQCSA-N 1 0 239.319 0.287 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1CC[C@@H]1CC ZINC000292474291 166375969 /nfs/dbraw/zinc/37/59/69/166375969.db2.gz RPOJYXMFASYHTR-UWVGGRQHSA-N 1 0 239.319 0.871 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH+]1CCC([C@H](C)[NH3+])CC1 ZINC000104140797 166381982 /nfs/dbraw/zinc/38/19/82/166381982.db2.gz MHAXIDACOYIMPB-WDEREUQCSA-N 1 0 239.363 0.736 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+]CC(C)(C)C(=O)OC ZINC000151789543 166383187 /nfs/dbraw/zinc/38/31/87/166383187.db2.gz ZFZFACNJGWRHPV-SECBINFHSA-N 1 0 242.319 0.466 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH2+][C@H](C)c1cnn(C)c1 ZINC000273319784 166388842 /nfs/dbraw/zinc/38/88/42/166388842.db2.gz QUHRMMQAEOLJRC-ZJUUUORDSA-N 1 0 236.319 0.761 20 30 BCEDRO COCC#CC[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000661489517 410701057 /nfs/dbraw/zinc/70/10/57/410701057.db2.gz GJONDKVDDUGDEM-BETUJISGSA-N 1 0 223.316 0.995 20 30 BCEDRO C[C@H]([NH3+])CNc1nc(C#N)c(Cl)s1 ZINC000596014045 410743960 /nfs/dbraw/zinc/74/39/60/410743960.db2.gz LEOFWQZECWGTCW-BYPYZUCNSA-N 1 0 216.697 1.427 20 30 BCEDRO C=CCCCCCNC(=O)[C@H]1C[NH2+]CCO1 ZINC000655488525 410792176 /nfs/dbraw/zinc/79/21/76/410792176.db2.gz GLOJQRVSNJZEJX-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO CC[NH+](CC)CCNC(=O)c1c[nH]c(C#N)c1 ZINC000181149068 169778944 /nfs/dbraw/zinc/77/89/44/169778944.db2.gz AFTOXCCKJZMJGX-UHFFFAOYSA-N 1 0 234.303 0.958 20 30 BCEDRO C=CCNC(=O)CNC(=O)[C@H](C(C)C)[C@@H](C)[NH3+] ZINC000399630682 411050519 /nfs/dbraw/zinc/05/05/19/411050519.db2.gz GBLSNYKIUMIPFJ-MWLCHTKSSA-N 1 0 241.335 0.024 20 30 BCEDRO C=CCCOCC(=O)N[C@@H](C[NH3+])C(F)(F)F ZINC000655510999 411147617 /nfs/dbraw/zinc/14/76/17/411147617.db2.gz XXIGFIIOOXGNCP-ZETCQYMHSA-N 1 0 240.225 0.585 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCN(C)C(C)(C)C1 ZINC000653660068 411159043 /nfs/dbraw/zinc/15/90/43/411159043.db2.gz FYEKXPYWFCLUTD-LLVKDONJSA-N 1 0 212.337 0.949 20 30 BCEDRO C=CCCn1cc(CN2CCC([NH3+])CC2)nn1 ZINC000655936783 411159217 /nfs/dbraw/zinc/15/92/17/411159217.db2.gz OXTDJTMMKSJVAO-UHFFFAOYSA-N 1 0 235.335 0.777 20 30 BCEDRO C=CCCn1cc(CN2CCC[C@@H]([NH3+])C2)nn1 ZINC000655936475 411159454 /nfs/dbraw/zinc/15/94/54/411159454.db2.gz GZTWPWMQHUFSEQ-LLVKDONJSA-N 1 0 235.335 0.777 20 30 BCEDRO COCC#CCN1CC[N@H+](C)C(C)(C)C1 ZINC000653660261 411159672 /nfs/dbraw/zinc/15/96/72/411159672.db2.gz STGVXDANRVNASP-UHFFFAOYSA-N 1 0 210.321 0.662 20 30 BCEDRO C=CCCn1cc(CN(C)C2CC([NH3+])C2)nn1 ZINC000655940421 411160439 /nfs/dbraw/zinc/16/04/39/411160439.db2.gz ATKLOXRRDWTAOE-UHFFFAOYSA-N 1 0 235.335 0.776 20 30 BCEDRO C=CCCNC(=O)N1CCC[C@@H]1C[NH2+]C ZINC000659563383 411175195 /nfs/dbraw/zinc/17/51/95/411175195.db2.gz UXWAPOHBVMGZHW-SNVBAGLBSA-N 1 0 211.309 0.956 20 30 BCEDRO C=CCCNC(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000659563610 411176262 /nfs/dbraw/zinc/17/62/62/411176262.db2.gz YHUYCDIBNYDHOK-NXEZZACHSA-N 1 0 211.309 0.941 20 30 BCEDRO C=C(C)CNC(=O)NCCC1(C[NH3+])CC1 ZINC000652236876 411177617 /nfs/dbraw/zinc/17/76/17/411177617.db2.gz AEPAZBRBHSIKDI-UHFFFAOYSA-N 1 0 211.309 0.991 20 30 BCEDRO CCC#C[C@@H](C)N1C[C@H](O)[C@@H]([NH+](C)C)C1 ZINC000653686389 411178182 /nfs/dbraw/zinc/17/81/82/411178182.db2.gz YMNNMTLOPRJENW-WOPDTQHZSA-N 1 0 210.321 0.395 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)Cn1cncn1 ZINC000657974463 411183783 /nfs/dbraw/zinc/18/37/83/411183783.db2.gz PATOCAYEBHWKCB-VHSXEESVSA-N 1 0 210.281 0.193 20 30 BCEDRO C=CCC[NH+]1CCN(c2nncn2C)CC1 ZINC000653819558 411192416 /nfs/dbraw/zinc/19/24/16/411192416.db2.gz ZWCTZLDJSAAQLG-UHFFFAOYSA-N 1 0 221.308 0.513 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+][C@H](C)Cn1cncn1 ZINC000658030860 411208679 /nfs/dbraw/zinc/20/86/79/411208679.db2.gz VQXQHHDGOVUYBR-UTUOFQBUSA-N 1 0 236.319 0.990 20 30 BCEDRO C=CCOCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000654067670 411327158 /nfs/dbraw/zinc/32/71/58/411327158.db2.gz WWHNARHVAKQJDZ-PHIMTYICSA-N 1 0 226.320 0.645 20 30 BCEDRO CC#CCN(C)Cc1cnc(C(=O)OC)cn1 ZINC000599431188 411272210 /nfs/dbraw/zinc/27/22/10/411272210.db2.gz VSDDJASPKGODGE-UHFFFAOYSA-N 1 0 233.271 0.718 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@]2(C)C[NH2+]CCO2)C1 ZINC000602532225 411296188 /nfs/dbraw/zinc/29/61/88/411296188.db2.gz DYNFFMPSJTUWSK-RYUDHWBXSA-N 1 0 237.303 0.127 20 30 BCEDRO COCC#CC[N@H+](C)C1CCN(OC)CC1 ZINC000656649005 411315754 /nfs/dbraw/zinc/31/57/54/411315754.db2.gz VWHUCQXRNWFOPI-UHFFFAOYSA-N 1 0 226.320 0.594 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000653445025 411257156 /nfs/dbraw/zinc/25/71/56/411257156.db2.gz FZCPGVLUIRSQTK-WDEREUQCSA-N 1 0 226.320 0.917 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H](O)CCC(C)C ZINC000662168678 411372818 /nfs/dbraw/zinc/37/28/18/411372818.db2.gz QHXKCZOVGLMWPY-GHMZBOCLSA-N 1 0 201.310 0.920 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCc1nc(C(C)=O)c(C)[nH]1 ZINC000662168740 411372849 /nfs/dbraw/zinc/37/28/49/411372849.db2.gz SEBJYDSUGKCAEV-SNVBAGLBSA-N 1 0 237.303 0.600 20 30 BCEDRO C=CCN(C(=O)C[NH2+]C)[C@@H](C)COC ZINC000659339403 411366738 /nfs/dbraw/zinc/36/67/38/411366738.db2.gz HYCHVLDOVZNDSY-VIFPVBQESA-N 1 0 200.282 0.255 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H]1CCN(c2ccccc2)C1=O ZINC000662165629 411370082 /nfs/dbraw/zinc/37/00/82/411370082.db2.gz JWYDFJUHLYQFDN-YPMHNXCESA-N 1 0 246.310 0.928 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)N[C@@H](C)CCC ZINC000662165793 411370400 /nfs/dbraw/zinc/37/04/00/411370400.db2.gz OZFIGPOHPDUDOM-GARJFASQSA-N 1 0 228.336 0.816 20 30 BCEDRO C=CCC[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000070592464 411336436 /nfs/dbraw/zinc/33/64/36/411336436.db2.gz KKVGDVPIEMRLID-VIFPVBQESA-N 1 0 203.307 0.729 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)c1cncnc1C ZINC000658334918 411343825 /nfs/dbraw/zinc/34/38/25/411343825.db2.gz XTIVXJKWXFJTRZ-VHSXEESVSA-N 1 0 207.277 0.983 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCN([C@H]2CCOC2)CC1 ZINC000658334674 411343918 /nfs/dbraw/zinc/34/39/18/411343918.db2.gz RLHJGJGRZBIMLI-YPMHNXCESA-N 1 0 240.347 0.376 20 30 BCEDRO C=CCOCCCNC(=O)[C@H]1CC[NH2+][C@H]1C ZINC000659358215 411374323 /nfs/dbraw/zinc/37/43/23/411374323.db2.gz GBZMHSBXRIWCKP-QWRGUYRKSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCOCCCNC(=O)C[NH2+]C1CC1 ZINC000659359550 411375491 /nfs/dbraw/zinc/37/54/91/411375491.db2.gz TVRLTVLBMPHRBV-UHFFFAOYSA-N 1 0 212.293 0.447 20 30 BCEDRO C=CCOCCCNC(=O)CC[NH2+]C1CC1 ZINC000659359887 411376184 /nfs/dbraw/zinc/37/61/84/411376184.db2.gz ZXKIZPOOUNMNEQ-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@@H]2COC[C@@H]21 ZINC000657303671 411456571 /nfs/dbraw/zinc/45/65/71/411456571.db2.gz YVNQGROETRQSCT-MNOVXSKESA-N 1 0 224.304 0.399 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1ccn(CC[NH+](C)C)n1 ZINC000654883738 411460140 /nfs/dbraw/zinc/46/01/40/411460140.db2.gz KYXOSHGREKJGPX-SNVBAGLBSA-N 1 0 236.319 0.749 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](SC)C1 ZINC000491451882 411393977 /nfs/dbraw/zinc/39/39/77/411393977.db2.gz ICJIRXJDGMJKBM-JTQLQIEISA-N 1 0 226.345 0.563 20 30 BCEDRO C=CCN(C(=O)[C@@H](C)[NH3+])[C@@H](C)COC ZINC000659339192 411398209 /nfs/dbraw/zinc/39/82/09/411398209.db2.gz FFQPOIDTSOIICH-DTWKUNHWSA-N 1 0 200.282 0.383 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]([NH3+])COC(C)C ZINC000659359042 411401975 /nfs/dbraw/zinc/40/19/75/411401975.db2.gz NWBMZULXGJDSDD-NSHDSACASA-N 1 0 244.335 0.448 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H](N)CC[NH+](C)C ZINC000653056332 411406811 /nfs/dbraw/zinc/40/68/11/411406811.db2.gz AXNGNONMRIVRLD-LLVKDONJSA-N 1 0 225.336 0.466 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1C[C@]12CCC[NH2+]C2 ZINC000659384399 411409410 /nfs/dbraw/zinc/40/94/10/411409410.db2.gz XPTDXQBNPXLVON-YPMHNXCESA-N 1 0 238.331 0.695 20 30 BCEDRO C=CCOCCNC(=O)NCC[C@@H]([NH3+])C(C)C ZINC000659480238 411419042 /nfs/dbraw/zinc/41/90/42/411419042.db2.gz OZALCVFTCWOBJH-LLVKDONJSA-N 1 0 243.351 0.862 20 30 BCEDRO C=CCOCCNC(=O)NCC1([NH3+])CCCC1 ZINC000659479506 411419428 /nfs/dbraw/zinc/41/94/28/411419428.db2.gz KQWADWZPWXLLDV-UHFFFAOYSA-N 1 0 241.335 0.760 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)N[C@@H](C)C[NH2+]C ZINC000659500169 411422399 /nfs/dbraw/zinc/42/23/99/411422399.db2.gz ADLQYCIISWKGON-AEJSXWLSSA-N 1 0 227.308 0.237 20 30 BCEDRO C=CCOCCCNC(=O)NCC(C)(C)[NH3+] ZINC000659520374 411427394 /nfs/dbraw/zinc/42/73/94/411427394.db2.gz HXTHPDLKQZSPPY-UHFFFAOYSA-N 1 0 229.324 0.616 20 30 BCEDRO C=CCOCCCNC(=O)NCC1C[NH2+]C1 ZINC000659526992 411429287 /nfs/dbraw/zinc/42/92/87/411429287.db2.gz GTSWMFVXXSQTGP-UHFFFAOYSA-N 1 0 227.308 0.098 20 30 BCEDRO C=CCCNC(=O)N[C@@H]1CC[NH2+]C[C@@H]1C ZINC000659535735 411431280 /nfs/dbraw/zinc/43/12/80/411431280.db2.gz FJSDUTJVJMZPJQ-VHSXEESVSA-N 1 0 211.309 0.860 20 30 BCEDRO C=CCCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000659543180 411433235 /nfs/dbraw/zinc/43/32/35/411433235.db2.gz SYOQZNOVFDZOQX-LBPRGKRZSA-N 1 0 241.335 0.630 20 30 BCEDRO C=CCCNC(=O)N1C[C@@H](C)[NH2+]C[C@H]1C ZINC000659562076 411436009 /nfs/dbraw/zinc/43/60/09/411436009.db2.gz FSLFIZOBTZULEU-NXEZZACHSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CCCNC(=O)N1CC[C@H]([NH3+])[C@H](C)C1 ZINC000659563559 411437016 /nfs/dbraw/zinc/43/70/16/411437016.db2.gz XBMCZIGRJWXZGK-ZJUUUORDSA-N 1 0 211.309 0.941 20 30 BCEDRO C=C(C)C[N@@H+](C)C[C@H](O)CN(C)CCOC ZINC000653609421 411438382 /nfs/dbraw/zinc/43/83/82/411438382.db2.gz MJGUIZXTGFPDJJ-GFCCVEGCSA-N 1 0 230.352 0.433 20 30 BCEDRO C=CCOCCCNC(=O)N1CC[NH2+][C@H](C)C1 ZINC000659596820 411439517 /nfs/dbraw/zinc/43/95/17/411439517.db2.gz LVDBSXFCVBIBLP-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCOCCCNC(=O)N1CCC[NH2+]CC1 ZINC000659596335 411439720 /nfs/dbraw/zinc/43/97/20/411439720.db2.gz IHSSVFLVPWGGDT-UHFFFAOYSA-N 1 0 241.335 0.584 20 30 BCEDRO C=CCCn1cc(C[NH2+]CC2(CO)CC2)nn1 ZINC000657382656 411488045 /nfs/dbraw/zinc/48/80/45/411488045.db2.gz HUXNIMJHSYVWIW-UHFFFAOYSA-N 1 0 236.319 0.716 20 30 BCEDRO C=CCCNC(=O)NCC1=CC[NH2+]CC1 ZINC000659532408 411493776 /nfs/dbraw/zinc/49/37/76/411493776.db2.gz MOYXTRSZINVLMA-UHFFFAOYSA-N 1 0 209.293 0.781 20 30 BCEDRO C=C[C@@H](C)NC(=O)[C@@H]1C[NH2+]CCC1(F)F ZINC000309481987 411498760 /nfs/dbraw/zinc/49/87/60/411498760.db2.gz DYUZDMKPHNNCEW-SFYZADRCSA-N 1 0 218.247 0.922 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C[N@H+]1CC[C@@H](C)C1 ZINC000655136759 411502584 /nfs/dbraw/zinc/50/25/84/411502584.db2.gz BVYKNMDENGTLKA-NEPJUHHUSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCC[C@@H](CO)NC(=O)C[N@H+]1CC[C@H](C)C1 ZINC000655136761 411502635 /nfs/dbraw/zinc/50/26/35/411502635.db2.gz BVYKNMDENGTLKA-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO C=CCN(C(=O)NC[C@H]([NH3+])CC)[C@H](C)COC ZINC000659547131 411516527 /nfs/dbraw/zinc/51/65/27/411516527.db2.gz BDQHBGREBZGKPN-GHMZBOCLSA-N 1 0 243.351 0.956 20 30 BCEDRO C=CC[N@H+](CCOC)CCc1c[nH]nn1 ZINC000660404264 411465420 /nfs/dbraw/zinc/46/54/20/411465420.db2.gz XFBYYTUQEFWLJV-UHFFFAOYSA-N 1 0 210.281 0.482 20 30 BCEDRO CC[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)[nH]2)C1 ZINC000160130146 170014917 /nfs/dbraw/zinc/01/49/17/170014917.db2.gz MNVVCSJPAVAYAZ-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO CC[NH2+]CCNC(=O)c1ccc(C#N)cc1 ZINC000054263218 170115253 /nfs/dbraw/zinc/11/52/53/170115253.db2.gz FLQUWSRIJCAUOU-UHFFFAOYSA-N 1 0 217.272 0.898 20 30 BCEDRO C=C(C)C[N@@H+](C)CCN1C(=O)CN(C)C1=O ZINC000660219612 411554920 /nfs/dbraw/zinc/55/49/20/411554920.db2.gz DKZPAHOAKIRMQF-UHFFFAOYSA-N 1 0 225.292 0.388 20 30 BCEDRO Cc1cc(NC(=O)[C@H]([NH3+])CCCCC#N)nn1C ZINC000594449531 411630054 /nfs/dbraw/zinc/63/00/54/411630054.db2.gz JHWBXMPSISMHTB-SNVBAGLBSA-N 1 0 249.318 1.078 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](CNc2cc(C#N)cnn2)C1 ZINC000596097526 411632323 /nfs/dbraw/zinc/63/23/23/411632323.db2.gz YRLBHFMOTFSAKI-NSHDSACASA-N 1 0 245.330 1.492 20 30 BCEDRO CCOC[C@@H](C)[NH2+]CCn1cnc(C#N)n1 ZINC000309623176 170430929 /nfs/dbraw/zinc/43/09/29/170430929.db2.gz FSYOFHAMFUQFHX-SECBINFHSA-N 1 0 223.280 0.164 20 30 BCEDRO C=CCC[N@@H+](C)CCN1C(=O)CN(C)C1=O ZINC000660403323 411579719 /nfs/dbraw/zinc/57/97/19/411579719.db2.gz WJXMUUQRLYDLNG-UHFFFAOYSA-N 1 0 225.292 0.388 20 30 BCEDRO CCOC[C@H](O)C[NH2+]Cc1cc(C#N)n(C)c1 ZINC000336707438 170453879 /nfs/dbraw/zinc/45/38/79/170453879.db2.gz LTLRPWUAACJPFL-GFCCVEGCSA-N 1 0 237.303 0.384 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1ccnn1CCC ZINC000657794033 411598952 /nfs/dbraw/zinc/59/89/52/411598952.db2.gz MKMWFBZNRMFPSF-SNVBAGLBSA-N 1 0 209.293 0.930 20 30 BCEDRO C=CCOCCCNC(=O)NCCC[NH+](C)C ZINC000663409554 411650875 /nfs/dbraw/zinc/65/08/75/411650875.db2.gz QGOFKHPHRFCCTL-UHFFFAOYSA-N 1 0 243.351 0.830 20 30 BCEDRO C=CCCNC(=O)NCCN1CCOC[C@H]1C ZINC000660856627 411659911 /nfs/dbraw/zinc/65/99/11/411659911.db2.gz RJPJVQUIVDLMDO-LLVKDONJSA-N 1 0 241.335 0.582 20 30 BCEDRO C=CCCC(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000663489053 411671519 /nfs/dbraw/zinc/67/15/19/411671519.db2.gz XLJNMPXQWFUZGH-UHFFFAOYSA-N 1 0 210.277 0.153 20 30 BCEDRO Cc1ccc(N[C@H]2CC[NH2+]C2)nc1C#N ZINC000563550486 411693563 /nfs/dbraw/zinc/69/35/63/411693563.db2.gz SGHBGGURLBBUMY-VIFPVBQESA-N 1 0 202.261 1.036 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)COC)[C@H](C)COC ZINC000661240920 411741808 /nfs/dbraw/zinc/74/18/08/411741808.db2.gz SXOMHXUAFFEHLH-MNOVXSKESA-N 1 0 217.309 0.517 20 30 BCEDRO C=CC[C@@H]1CCC[N@@H+](CCNS(C)(=O)=O)C1 ZINC000661381291 411764287 /nfs/dbraw/zinc/76/42/87/411764287.db2.gz ZHQHHMPAXCNKHG-LLVKDONJSA-N 1 0 246.376 0.824 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCC[C@](CO)(OC)C1 ZINC000661393286 411766949 /nfs/dbraw/zinc/76/69/49/411766949.db2.gz JROMKKNPGAFCAV-OLZOCXBDSA-N 1 0 243.347 0.787 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@@H]2NC(=O)CC[C@H]2C1 ZINC000661601285 411811825 /nfs/dbraw/zinc/81/18/25/411811825.db2.gz MMWOALBFTALNHY-SRVKXCTJSA-N 1 0 238.331 0.524 20 30 BCEDRO C=CCOCC[N@@H+](C)C[C@H]1COCCO1 ZINC000661612708 411815736 /nfs/dbraw/zinc/81/57/36/411815736.db2.gz BICJSCOBNZZVGV-NSHDSACASA-N 1 0 215.293 0.536 20 30 BCEDRO C[C@@H](CNc1ccc(C#N)c(N)n1)C[NH+](C)C ZINC000594582292 411819303 /nfs/dbraw/zinc/81/93/03/411819303.db2.gz POUIHTQVBVFNJA-VIFPVBQESA-N 1 0 233.319 1.145 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000661621277 411819926 /nfs/dbraw/zinc/81/99/26/411819926.db2.gz CBVDHJYCDXMNRV-DCAQKATOSA-N 1 0 240.347 0.626 20 30 BCEDRO C=CCNC(=O)[C@H](C)[NH+]1C[C@@H](C)C(O)[C@H](C)C1 ZINC000661621280 411820172 /nfs/dbraw/zinc/82/01/72/411820172.db2.gz CBVDHJYCDXMNRV-MXWKQRLJSA-N 1 0 240.347 0.626 20 30 BCEDRO CC#CCCN1CCN(S(C)(=O)=O)[C@H](C)C1 ZINC000661681720 411836087 /nfs/dbraw/zinc/83/60/87/411836087.db2.gz ZDCCOEJTIPIKGZ-LLVKDONJSA-N 1 0 244.360 0.366 20 30 BCEDRO C[C@@H]1CC[NH2+]C[C@H]1Nc1ccc(C#N)cn1 ZINC000389727803 411837969 /nfs/dbraw/zinc/83/79/69/411837969.db2.gz MRFRTXLAYAPSDI-MWLCHTKSSA-N 1 0 216.288 1.363 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1CCc2nnc(N)cc2C1 ZINC000363877597 411848587 /nfs/dbraw/zinc/84/85/87/411848587.db2.gz DLQRPKFEOCYQAP-LLVKDONJSA-N 1 0 248.330 0.744 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@H](c2nnc(N)o2)C1 ZINC000639822991 411853355 /nfs/dbraw/zinc/85/33/55/411853355.db2.gz UXTBTYYQRZWGKH-VIFPVBQESA-N 1 0 220.276 0.855 20 30 BCEDRO C=C[C@H](CO)NC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000661950341 411917975 /nfs/dbraw/zinc/91/79/75/411917975.db2.gz XJHHWTFMOOTXST-MNOVXSKESA-N 1 0 241.335 0.317 20 30 BCEDRO C[C@H](O)C[N@H+](C)CCCc1[nH]nc(N)c1C#N ZINC000524773239 411921434 /nfs/dbraw/zinc/92/14/34/411921434.db2.gz QFTZHBOSGYQYDZ-QMMMGPOBSA-N 1 0 237.307 0.109 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](N(C)C(=O)N(C)C)C1 ZINC000662013938 411938940 /nfs/dbraw/zinc/93/89/40/411938940.db2.gz XBTPGVQEGZPRIL-NSHDSACASA-N 1 0 223.320 0.697 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1C[C@H](C)C[C@H](C)C1 ZINC000662163430 412013171 /nfs/dbraw/zinc/01/31/71/412013171.db2.gz AMKCPNQGGJZXIJ-GRYCIOLGSA-N 1 0 240.347 0.627 20 30 BCEDRO C=CCN(CC=C)C(=O)[C@H](C)[NH2+][C@H](C=C)CO ZINC000662165630 412014380 /nfs/dbraw/zinc/01/43/80/412014380.db2.gz LPZZTYYKXLKEIN-NWDGAFQWSA-N 1 0 238.331 0.712 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H](C)C(=O)NCc1ccccc1 ZINC000662166272 412014781 /nfs/dbraw/zinc/01/47/81/412014781.db2.gz YAZMBOMOBUXYSK-WCQYABFASA-N 1 0 248.326 0.828 20 30 BCEDRO C=C(C)C[C@@H](C)C(=O)N1CCOC2(C[NH2+]C2)C1 ZINC000664727895 412014816 /nfs/dbraw/zinc/01/48/16/412014816.db2.gz SHHRWIFQNBVFEQ-LLVKDONJSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NCCCC ZINC000662165279 412014902 /nfs/dbraw/zinc/01/49/02/412014902.db2.gz CRCRKDGFQSPAEM-NXEZZACHSA-N 1 0 214.309 0.428 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)COc1ccccc1 ZINC000662163793 412014941 /nfs/dbraw/zinc/01/49/41/412014941.db2.gz KUZPCSJHINVDRB-VXGBXAGGSA-N 1 0 237.299 0.563 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@H](C)C(=O)NCc1ccccc1 ZINC000662166271 412015244 /nfs/dbraw/zinc/01/52/44/412015244.db2.gz YAZMBOMOBUXYSK-DGCLKSJQSA-N 1 0 248.326 0.828 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCCC[C@H]1CC ZINC000662167755 412015633 /nfs/dbraw/zinc/01/56/33/412015633.db2.gz OPRWSDHRPAEIDU-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NC(C)(C)CC ZINC000662167989 412015784 /nfs/dbraw/zinc/01/57/84/412015784.db2.gz WXOZUWBZKFCZIE-SECBINFHSA-N 1 0 214.309 0.428 20 30 BCEDRO C=C[C@H](CO)NCc1ncnn1CC(C)C ZINC000662168334 412016191 /nfs/dbraw/zinc/01/61/91/412016191.db2.gz BQRMEQUZLMPLTJ-SNVBAGLBSA-N 1 0 224.308 0.571 20 30 BCEDRO C=C[C@H](CO)NCc1nccc(OC)c1OC ZINC000662168332 412016691 /nfs/dbraw/zinc/01/66/91/412016691.db2.gz BNGDNNPNZYVDHB-SECBINFHSA-N 1 0 238.287 0.735 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)N1CCc2ccccc21 ZINC000662167579 412016702 /nfs/dbraw/zinc/01/67/02/412016702.db2.gz KQLFDASLWQLGPE-GFCCVEGCSA-N 1 0 246.310 0.712 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NC(C1CC1)C1CC1 ZINC000662167817 412016789 /nfs/dbraw/zinc/01/67/89/412016789.db2.gz IVDUQWUEUIOUDG-LLVKDONJSA-N 1 0 238.331 0.428 20 30 BCEDRO C=C[C@H](CO)[NH2+]CCCS(=O)(=O)C(C)C ZINC000662166773 412016819 /nfs/dbraw/zinc/01/68/19/412016819.db2.gz GMSRHBBTPLVVCO-SNVBAGLBSA-N 1 0 235.349 0.336 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](OC)[C@H]1CCOC1 ZINC000662168963 412018010 /nfs/dbraw/zinc/01/80/10/412018010.db2.gz BIRSPIVNHLERQZ-HBNTYKKESA-N 1 0 215.293 0.174 20 30 BCEDRO C=CCN1CC[C@@H](N2CC3CC2(C[NH3+])C3)C1=O ZINC000662307319 412092682 /nfs/dbraw/zinc/09/26/82/412092682.db2.gz ZZVYLNMEJVALNL-QWKFWESOSA-N 1 0 235.331 0.196 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC2CC1(C[NH3+])C2 ZINC000662307867 412093246 /nfs/dbraw/zinc/09/32/46/412093246.db2.gz RWXFRKVMTFMJGP-GRZMOONWSA-N 1 0 223.320 0.100 20 30 BCEDRO C=CC[C@]1(C(=O)N(C)CCOC)CCC[NH2+]1 ZINC000662469180 412186622 /nfs/dbraw/zinc/18/66/22/412186622.db2.gz NBXRSYIBJWEFLU-GFCCVEGCSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCn1cc(CNC(=O)[C@H](CC)[NH2+]C)nn1 ZINC000662520521 412202813 /nfs/dbraw/zinc/20/28/13/412202813.db2.gz ALVVVAQFLDMHTR-JTQLQIEISA-N 1 0 237.307 0.078 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@@H](CO)[C@H]1C ZINC000665270705 412214114 /nfs/dbraw/zinc/21/41/14/412214114.db2.gz UXAPFNWFFNJQJU-NEPJUHHUSA-N 1 0 211.305 0.729 20 30 BCEDRO N#Cc1cc(NC[C@@H]2CCC[C@@H]([NH3+])C2)ncn1 ZINC000591441618 412254341 /nfs/dbraw/zinc/25/43/41/412254341.db2.gz JCJHFDZXFIALIE-NXEZZACHSA-N 1 0 231.303 1.278 20 30 BCEDRO C=CCOCCCNC(=O)CCC[NH2+]C ZINC000662663530 412261938 /nfs/dbraw/zinc/26/19/38/412261938.db2.gz JEIFOSAEOFCTHF-UHFFFAOYSA-N 1 0 214.309 0.695 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]([NH3+])C1CCC1 ZINC000662663831 412262274 /nfs/dbraw/zinc/26/22/74/412262274.db2.gz KMQYSAQFZIABMS-NSHDSACASA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCOCCCNC(=O)CCCC[NH3+] ZINC000662663593 412262368 /nfs/dbraw/zinc/26/23/68/412262368.db2.gz JLHMJNFLPRYDEO-UHFFFAOYSA-N 1 0 214.309 0.824 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]([NH3+])CC ZINC000662664837 412263798 /nfs/dbraw/zinc/26/37/98/412263798.db2.gz VPEBSTTVNGEMDA-VIFPVBQESA-N 1 0 200.282 0.433 20 30 BCEDRO N#Cc1cnnc(NC2CC[NH+](C3CC3)CC2)c1 ZINC000596065031 412278589 /nfs/dbraw/zinc/27/85/89/412278589.db2.gz AMMKETNURRWZBW-UHFFFAOYSA-N 1 0 243.314 1.387 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC(C)(C)[NH+](C)C ZINC000665357245 412284023 /nfs/dbraw/zinc/28/40/23/412284023.db2.gz ILNXCGDPHZKELV-LLVKDONJSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C[C@@H](O)C(=O)NCC1([NH+](C)C)CCCCC1 ZINC000665279033 412222658 /nfs/dbraw/zinc/22/26/58/412222658.db2.gz VFLXULPYVYOJHO-LLVKDONJSA-N 1 0 240.347 0.914 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)Nc1cc(C2CC2)[nH]n1 ZINC000578885641 412229400 /nfs/dbraw/zinc/22/94/00/412229400.db2.gz DQEVFACYYAELEO-SECBINFHSA-N 1 0 247.302 1.247 20 30 BCEDRO C=CC[C@]1(C(=O)NC[C@H](O)CCC)CCC[NH2+]1 ZINC000662596723 412233311 /nfs/dbraw/zinc/23/33/11/412233311.db2.gz UCHDWKQLTKPMFU-DGCLKSJQSA-N 1 0 240.347 0.962 20 30 BCEDRO C=CC1CCN(C(=O)[C@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662593682 412233347 /nfs/dbraw/zinc/23/33/47/412233347.db2.gz MUHBKETZDJMJBQ-NWDGAFQWSA-N 1 0 238.331 0.775 20 30 BCEDRO C=CC[C@]1(C(=O)NC[C@@H](O)CCC)CCC[NH2+]1 ZINC000662596726 412233654 /nfs/dbraw/zinc/23/36/54/412233654.db2.gz UCHDWKQLTKPMFU-WCQYABFASA-N 1 0 240.347 0.962 20 30 BCEDRO C=CCCCN(C)C(=O)[C@H]1CCO[C@@H]1C[NH3+] ZINC000662616947 412242903 /nfs/dbraw/zinc/24/29/03/412242903.db2.gz QJPXLJDEUMHIEW-WDEREUQCSA-N 1 0 226.320 0.775 20 30 BCEDRO C[NH+]1CCC(C)(CNc2cc(C#N)ncn2)CC1 ZINC000380641787 412245087 /nfs/dbraw/zinc/24/50/87/412245087.db2.gz UFFSRAZSVNDAST-UHFFFAOYSA-N 1 0 245.330 1.492 20 30 BCEDRO C[NH2+]C1(CNc2ccc(C#N)cn2)CCC1 ZINC000598632540 412289527 /nfs/dbraw/zinc/28/95/27/412289527.db2.gz GBUBSTOOIKEICV-UHFFFAOYSA-N 1 0 216.288 1.507 20 30 BCEDRO N#C[C@H]1CCC[C@@H]([NH2+]CCNc2cnccn2)C1 ZINC000447581764 412246715 /nfs/dbraw/zinc/24/67/15/412246715.db2.gz VYQGUZPNHQIOJN-NWDGAFQWSA-N 1 0 245.330 1.560 20 30 BCEDRO C[N@@H+]1CCCC[C@H](CNc2ccc(C#N)nn2)C1 ZINC000599140562 412251471 /nfs/dbraw/zinc/25/14/71/412251471.db2.gz VSQUGQXOJAXJGS-LLVKDONJSA-N 1 0 245.330 1.492 20 30 BCEDRO C[N@@H+]1CCC[C@@H](CCNc2nccnc2C#N)C1 ZINC000413434882 412251579 /nfs/dbraw/zinc/25/15/79/412251579.db2.gz GQVLEFQWPCCUEA-NSHDSACASA-N 1 0 245.330 1.492 20 30 BCEDRO CN1CCC[C@H]1C(=O)Nc1n[nH]cc1C#N ZINC000601642376 412251626 /nfs/dbraw/zinc/25/16/26/412251626.db2.gz XQEIKTMTAXGFPR-QMMMGPOBSA-N 1 0 219.248 0.314 20 30 BCEDRO C=C1CCN(C(=O)[C@@H]2CCO[C@H]2C[NH3+])CC1 ZINC000662828148 412314145 /nfs/dbraw/zinc/31/41/45/412314145.db2.gz SZYLWNHSOHPNTM-MNOVXSKESA-N 1 0 224.304 0.529 20 30 BCEDRO C=C1CCN(C(=O)[C@@H]2CCO[C@@H]2C[NH3+])CC1 ZINC000662828146 412314241 /nfs/dbraw/zinc/31/42/41/412314241.db2.gz SZYLWNHSOHPNTM-GHMZBOCLSA-N 1 0 224.304 0.529 20 30 BCEDRO C=CCN(C(=O)C[C@@H](C)[NH3+])[C@@H](C)COC ZINC000662855419 412315486 /nfs/dbraw/zinc/31/54/86/412315486.db2.gz SOLGSAWHKSNKSR-ZJUUUORDSA-N 1 0 214.309 0.773 20 30 BCEDRO CC(C)c1cc(NC(=O)[C@H]([NH3+])CCCC#N)n[nH]1 ZINC000568979244 412321037 /nfs/dbraw/zinc/32/10/37/412321037.db2.gz AWYHRESWXASQBD-SECBINFHSA-N 1 0 249.318 1.493 20 30 BCEDRO Cc1cc(NC(=O)NC[C@H](C)[NH+](C)C)nn1C ZINC000331266440 412321637 /nfs/dbraw/zinc/32/16/37/412321637.db2.gz QJLNWQZHOCMWMA-VIFPVBQESA-N 1 0 239.323 1.005 20 30 BCEDRO C=CCN(C(=O)CCC[NH3+])[C@@H](C)COC ZINC000662854281 412323986 /nfs/dbraw/zinc/32/39/86/412323986.db2.gz LBNFIESVGUHIPO-JTQLQIEISA-N 1 0 214.309 0.775 20 30 BCEDRO C=CCN(C(=O)[C@H]1C[C@H]([NH3+])C1)[C@@H](C)COC ZINC000662854324 412324118 /nfs/dbraw/zinc/32/41/18/412324118.db2.gz LTLWICUTKXHAOI-DCAQKATOSA-N 1 0 226.320 0.773 20 30 BCEDRO C=CCN(C(=O)[C@H]1CCC[NH2+]1)[C@@H](C)COC ZINC000662856037 412325972 /nfs/dbraw/zinc/32/59/72/412325972.db2.gz YFGSFUGBQPDVDK-WDEREUQCSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CCC1(NC(=O)[C@H](C)C[NH3+])CCOCC1 ZINC000662876009 412333298 /nfs/dbraw/zinc/33/32/98/412333298.db2.gz ZHCDNGOXTLUQRA-SNVBAGLBSA-N 1 0 226.320 0.823 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[NH+](CC(C)C)CC1 ZINC000665530898 412349335 /nfs/dbraw/zinc/34/93/35/412349335.db2.gz GJBRLCKYCLZRMS-ZDUSSCGKSA-N 1 0 240.347 0.724 20 30 BCEDRO C=CC[C@@]1(C(=O)N[C@@H](C)c2nc[nH]n2)CCC[NH2+]1 ZINC000662752137 412291254 /nfs/dbraw/zinc/29/12/54/412291254.db2.gz HOCLHGLTKVPGLN-CABZTGNLSA-N 1 0 249.318 0.680 20 30 BCEDRO C[NH2+][C@@H](CC(C)(C)C)C(=O)Nc1n[nH]cc1C#N ZINC000567350617 412297416 /nfs/dbraw/zinc/29/74/16/412297416.db2.gz PYCCDLPCJAHEGB-VIFPVBQESA-N 1 0 249.318 1.244 20 30 BCEDRO CN(C)C(=O)CC[NH2+][C@H]1CCC[C@@H]1C#N ZINC000054828037 172360154 /nfs/dbraw/zinc/36/01/54/172360154.db2.gz BQHHYQLPYLKQRW-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO CN(C)C(=O)NCC[N@H+](C)[C@H]1CC[C@@H](C#N)C1 ZINC000407993111 172379223 /nfs/dbraw/zinc/37/92/23/172379223.db2.gz LJLRFGMAGZAPHR-MNOVXSKESA-N 1 0 238.335 0.882 20 30 BCEDRO C[NH+](C)C(C)(C)CNC(=O)c1cc(C#N)c[nH]1 ZINC000330884393 172395503 /nfs/dbraw/zinc/39/55/03/172395503.db2.gz KSPNNZYOJIDGAQ-UHFFFAOYSA-N 1 0 234.303 0.956 20 30 BCEDRO C[NH+](C)C[C@](C)(O)CNc1ccc(C#N)nn1 ZINC000301962732 172499854 /nfs/dbraw/zinc/49/98/54/172499854.db2.gz NCRAUYWYCDQBSX-LLVKDONJSA-N 1 0 235.291 0.073 20 30 BCEDRO CN(CCOCCC#N)CC[NH+]1CCCC1 ZINC000338993579 172765207 /nfs/dbraw/zinc/76/52/07/172765207.db2.gz KVTOACSVJXEKGK-UHFFFAOYSA-N 1 0 225.336 0.944 20 30 BCEDRO C[N@@H+]1CCCN(C(=O)c2ccc(C#N)nc2)CC1 ZINC000115316202 173013777 /nfs/dbraw/zinc/01/37/77/173013777.db2.gz XNJOHBVROCQNFW-UHFFFAOYSA-N 1 0 244.298 0.731 20 30 BCEDRO C[N@@H+]1CCC[C@@H]1CNC(=O)c1ccc(C#N)o1 ZINC000335072355 173031760 /nfs/dbraw/zinc/03/17/60/173031760.db2.gz YCOCCLIERORPJV-SECBINFHSA-N 1 0 233.271 0.975 20 30 BCEDRO C[N@@H+]1CCC[C@H]1CNc1nccnc1C#N ZINC000227742354 173057376 /nfs/dbraw/zinc/05/73/76/173057376.db2.gz WLCPECILXXGUGI-VIFPVBQESA-N 1 0 217.276 0.854 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNc1ncccc1C#N ZINC000069052409 173074711 /nfs/dbraw/zinc/07/47/11/173074711.db2.gz TWIWGFHWKTWVLF-GFCCVEGCSA-N 1 0 245.330 0.611 20 30 BCEDRO C[NH+]1CCN(Cc2ccnc(C#N)c2)CC1 ZINC000068765377 173089570 /nfs/dbraw/zinc/08/95/70/173089570.db2.gz QXKAKPHYFABUJS-UHFFFAOYSA-N 1 0 216.288 0.701 20 30 BCEDRO C[N@@H+]1CC[C@@](O)(CNCc2cccc(C#N)c2)C1 ZINC000358166870 173139577 /nfs/dbraw/zinc/13/95/77/173139577.db2.gz PKPIBNZYSSHUTF-CQSZACIVSA-N 1 0 245.326 0.714 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)NCC(C)(C)C#N)C1 ZINC000334342464 173141644 /nfs/dbraw/zinc/14/16/44/173141644.db2.gz PTLAXWZJUFLFIX-VIFPVBQESA-N 1 0 209.293 0.604 20 30 BCEDRO C[N@@H+]1CC[C@H](CNC(=O)c2ccc(C#N)nc2)C1 ZINC000115341082 173145298 /nfs/dbraw/zinc/14/52/98/173145298.db2.gz KMKOKAJCWKYBPN-SNVBAGLBSA-N 1 0 244.298 0.635 20 30 BCEDRO CN1C[C@@H]([NH2+]Cc2ccc(C#N)o2)CCC1=O ZINC000135190283 173187283 /nfs/dbraw/zinc/18/72/83/173187283.db2.gz IOGPLJMSHCELEJ-VIFPVBQESA-N 1 0 233.271 0.862 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3cc(C#N)ccn3)C[C@H]2C1 ZINC000368550099 173199817 /nfs/dbraw/zinc/19/98/17/173199817.db2.gz FYNKLPHGZRMVJM-TXEJJXNPSA-N 1 0 228.299 0.951 20 30 BCEDRO CNC(=O)[C@H]1CCCN(C[C@H](C#N)CCC#N)C1 ZINC000112560531 173306815 /nfs/dbraw/zinc/30/68/15/173306815.db2.gz HUNICUUOUTTZNQ-RYUDHWBXSA-N 1 0 248.330 0.888 20 30 BCEDRO C[NH2+]C(C)(C)CNc1nccnc1C#N ZINC000336770006 173320035 /nfs/dbraw/zinc/32/00/35/173320035.db2.gz VGTUWWDXHALHHR-UHFFFAOYSA-N 1 0 205.265 0.758 20 30 BCEDRO COCCC[N@H+](CCO)Cc1ccc(C#N)o1 ZINC000188929968 174224029 /nfs/dbraw/zinc/22/40/29/174224029.db2.gz RHWRONMSIFMUOD-UHFFFAOYSA-N 1 0 238.287 0.982 20 30 BCEDRO COCCC[NH2+][C@H](C(N)=O)c1ccc(C#N)cc1 ZINC000115594964 174250201 /nfs/dbraw/zinc/25/02/01/174250201.db2.gz XTKFODLWPNPCBU-LBPRGKRZSA-N 1 0 247.298 0.711 20 30 BCEDRO COCC[N@H+](CCO)Cc1cccc(C#N)c1 ZINC000134304100 174294132 /nfs/dbraw/zinc/29/41/32/174294132.db2.gz CBJOVBLQELGMRJ-UHFFFAOYSA-N 1 0 234.299 0.999 20 30 BCEDRO C[C@@H](c1ccc(C#N)cc1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278622802 176013668 /nfs/dbraw/zinc/01/36/68/176013668.db2.gz FYBOAZPWIFETFK-TVYUQYBPSA-N 1 0 232.283 0.657 20 30 BCEDRO C[C@@H]1CN(c2nccc(C#N)n2)C[C@@H]1[NH+](C)C ZINC000231904128 176320931 /nfs/dbraw/zinc/32/09/31/176320931.db2.gz UGWYBAJFXIYIGP-KOLCDFICSA-N 1 0 231.303 0.735 20 30 BCEDRO C[C@@H]1C[C@H]1C[NH2+]CCn1cnc(C#N)n1 ZINC000309089660 176440320 /nfs/dbraw/zinc/44/03/20/176440320.db2.gz APUDBDSYBZFVBG-BDAKNGLRSA-N 1 0 205.265 0.395 20 30 BCEDRO C[C@H](CNC(=O)c1ccc(C#N)[nH]1)C[NH+](C)C ZINC000292359570 176676034 /nfs/dbraw/zinc/67/60/34/176676034.db2.gz LNOHYJUOHWYTDP-SECBINFHSA-N 1 0 234.303 0.814 20 30 BCEDRO C[C@H](CNc1nccc(C#N)n1)C[NH+](C)C ZINC000295642668 176688199 /nfs/dbraw/zinc/68/81/99/176688199.db2.gz DWDLNEAXBZJRQW-SECBINFHSA-N 1 0 219.292 0.958 20 30 BCEDRO C[C@H](c1cccc(C#N)c1)[N@H+]1C[C@@H](O)[C@@H](O)C1 ZINC000278757450 177035313 /nfs/dbraw/zinc/03/53/13/177035313.db2.gz MKVHEMKKUGJESV-WQAKAFBOSA-N 1 0 232.283 0.657 20 30 BCEDRO C[C@H]1CN(c2cnc(C#N)cn2)C[C@H]1[NH+](C)C ZINC000251921978 177277072 /nfs/dbraw/zinc/27/70/72/177277072.db2.gz YBDZYOLSGZNIRO-GXSJLCMTSA-N 1 0 231.303 0.735 20 30 BCEDRO C[NH+](C)C/C=C/C(=O)NCC1(CC#N)CC1 ZINC000493527434 226239689 /nfs/dbraw/zinc/23/96/89/226239689.db2.gz SDNGCOKPYTUCHP-ONEGZZNKSA-N 1 0 221.304 0.914 20 30 BCEDRO CN(C)CC[N@H+](C)CCCN(C)C(=O)CC#N ZINC000494835442 226269858 /nfs/dbraw/zinc/26/98/58/226269858.db2.gz JVTFTKODORYZAD-UHFFFAOYSA-N 1 0 240.351 0.242 20 30 BCEDRO N#Cc1cncc(NCC[NH+]2CCSCC2)n1 ZINC000401321088 226355053 /nfs/dbraw/zinc/35/50/53/226355053.db2.gz JIUIRLZYQCGKKF-UHFFFAOYSA-N 1 0 249.343 0.809 20 30 BCEDRO C=C[C@@H](C)NC(=O)c1c[nH]nc1[C@H]1CC[NH2+]C1 ZINC000662611099 487671537 /nfs/dbraw/zinc/67/15/37/487671537.db2.gz HZDAAGXRLOCCNV-BDAKNGLRSA-N 1 0 234.303 0.791 20 30 BCEDRO C=CCNC(=O)[C@]1(C(F)(F)F)CC[NH2+]C1 ZINC000082557324 487672192 /nfs/dbraw/zinc/67/21/92/487672192.db2.gz CHKZNKNQYNRJCI-QMMMGPOBSA-N 1 0 222.210 0.831 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCO[C@@]2(CCCOC2)C1 ZINC000671696557 487695785 /nfs/dbraw/zinc/69/57/85/487695785.db2.gz FYWBMOGSXGJZNG-STQMWFEESA-N 1 0 241.331 0.805 20 30 BCEDRO Cc1cc(C[NH2+]C2(C(N)=O)CC2)ccc1C#N ZINC000488252309 533685841 /nfs/dbraw/zinc/68/58/41/533685841.db2.gz NLQYTQOVTTZWFH-UHFFFAOYSA-N 1 0 229.283 0.974 20 30 BCEDRO COCC#CCN1CCOC[C@H]1CC(F)F ZINC000671733228 487713272 /nfs/dbraw/zinc/71/32/72/487713272.db2.gz FDBDLDOHNHDGNO-SNVBAGLBSA-N 1 0 233.258 0.992 20 30 BCEDRO C=C[C@@H](C)NC(=O)C1(OC)CC[NH2+]CC1 ZINC000308894480 487723504 /nfs/dbraw/zinc/72/35/04/487723504.db2.gz YYKUHIUPJYRDFV-SECBINFHSA-N 1 0 212.293 0.446 20 30 BCEDRO C=CC(C)(C)NS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000903598055 584786153 /nfs/dbraw/zinc/78/61/53/584786153.db2.gz HUVZBRKXHFYBFG-SECBINFHSA-N 1 0 232.349 0.622 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[NH+]1[C@@H](C)CCC[C@@H]1C ZINC000668430176 487741958 /nfs/dbraw/zinc/74/19/58/487741958.db2.gz BPANLNOIWXUJOX-SRVKXCTJSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H](C)C[C@H](C)O ZINC000764552462 585467976 /nfs/dbraw/zinc/46/79/76/585467976.db2.gz QDFDXBHDMSNOHO-ONGXEEELSA-N 1 0 228.336 0.627 20 30 BCEDRO Cc1cc(C#N)nc(NC[C@@H](C2CC2)[NH+](C)C)n1 ZINC000587881998 487786527 /nfs/dbraw/zinc/78/65/27/487786527.db2.gz KKMOCCIXSPMRGR-LBPRGKRZSA-N 1 0 245.330 1.409 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H](C)[N@@H+]1CCCC[C@@H]1C ZINC000666379340 487792739 /nfs/dbraw/zinc/79/27/39/487792739.db2.gz OIRCSHTXSVGVSR-TUAOUCFPSA-N 1 0 240.347 0.912 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC[N@@H+](CC)CC1 ZINC000668476064 487802071 /nfs/dbraw/zinc/80/20/71/487802071.db2.gz WOCAXPNAMTYZOG-LBPRGKRZSA-N 1 0 226.320 0.478 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CCC([NH+](C)C)CC1 ZINC000668477422 487804203 /nfs/dbraw/zinc/80/42/03/487804203.db2.gz GCCNFNKTKQNOGV-LBPRGKRZSA-N 1 0 226.320 0.476 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@@H](n2cncn2)C1 ZINC000681604208 487823260 /nfs/dbraw/zinc/82/32/60/487823260.db2.gz QFZUOCUGNUEFDC-LLVKDONJSA-N 1 0 220.276 0.175 20 30 BCEDRO CON=CC(=O)N1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000809744031 586516237 /nfs/dbraw/zinc/51/62/37/586516237.db2.gz RDZZSXNVNBPGMS-DTWKUNHWSA-N 1 0 213.281 0.170 20 30 BCEDRO C#CCNC(=O)C[C@@H](C)[C@H]1CCC[NH2+]C1 ZINC000087973357 322946760 /nfs/dbraw/zinc/94/67/60/322946760.db2.gz YCXFWWTUXYHNOK-MNOVXSKESA-N 1 0 208.305 0.762 20 30 BCEDRO C=CCNC(=O)CNC(=O)CCCC[NH+](C)C ZINC000558202663 322947363 /nfs/dbraw/zinc/94/73/63/322947363.db2.gz IXCANZPLBAZUTD-UHFFFAOYSA-N 1 0 241.335 0.137 20 30 BCEDRO C#C[C@H](C)N(C)S(=O)(=O)CCC[NH+](C)C ZINC000867197471 587842724 /nfs/dbraw/zinc/84/27/24/587842724.db2.gz VVFYNPYUPJUHFS-JTQLQIEISA-N 1 0 232.349 0.221 20 30 BCEDRO C#CCSCCNC(=O)NC[C@@H]([NH3+])CC ZINC000841831973 587976629 /nfs/dbraw/zinc/97/66/29/587976629.db2.gz JGHVFLQRTXVSJK-VIFPVBQESA-N 1 0 229.349 0.389 20 30 BCEDRO C=C(Cl)CNC(=O)N[C@@H]1CC[NH2+]C1 ZINC000841938362 587985716 /nfs/dbraw/zinc/98/57/16/587985716.db2.gz CDFHJCYEHPOSOO-SSDOTTSWSA-N 1 0 203.673 0.400 20 30 BCEDRO C#CCN(CC#CC)C[C@@H]1CCC(=O)O1 ZINC000851783398 588627666 /nfs/dbraw/zinc/62/76/66/588627666.db2.gz BAUQFJVDKGBDIE-NSHDSACASA-N 1 0 205.257 0.651 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](OC)[C@H]1CCOC1 ZINC000851798864 588630497 /nfs/dbraw/zinc/63/04/97/588630497.db2.gz ISQIVSAMOSLMTP-RYUDHWBXSA-N 1 0 211.305 0.993 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+][C@H]1CCC(=O)NC1=O ZINC000852100776 588662839 /nfs/dbraw/zinc/66/28/39/588662839.db2.gz IVRZQYNMFDZHTL-KWQFWETISA-N 1 0 208.261 0.183 20 30 BCEDRO C#CCOCC[NH2+]C1(CCO)CCCC1 ZINC000852119428 588665257 /nfs/dbraw/zinc/66/52/57/588665257.db2.gz ADYRYYXBDJQKIZ-UHFFFAOYSA-N 1 0 211.305 0.921 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@H]1CCOC1 ZINC000876885101 590253665 /nfs/dbraw/zinc/25/36/65/590253665.db2.gz VFUHCVMOTGEZSU-YUMQZZPRSA-N 1 0 218.684 0.361 20 30 BCEDRO CS[C@@H](C)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000130532358 591479237 /nfs/dbraw/zinc/47/92/37/591479237.db2.gz QTNPLHJBOZKYFD-DTWKUNHWSA-N 1 0 231.365 0.821 20 30 BCEDRO N#CCCc1cn(CCCCC[NH3+])nn1 ZINC000594651059 487848405 /nfs/dbraw/zinc/84/84/05/487848405.db2.gz DXYUDSNGSNMNKV-UHFFFAOYSA-N 1 0 207.281 0.863 20 30 BCEDRO COC[C@](C)(CCO)[NH2+]CCO[C@H](C)C#N ZINC000309682544 633985818 /nfs/dbraw/zinc/98/58/18/633985818.db2.gz ZVQZNSWMTJLDJJ-MNOVXSKESA-N 1 0 230.308 0.292 20 30 BCEDRO CO[C@@H]1C[C@@H]([NH2+]C[C@H](O)CC#N)C1(C)C ZINC000930628168 639830320 /nfs/dbraw/zinc/83/03/20/639830320.db2.gz LQMSRBJRWQVRMF-OPRDCNLKSA-N 1 0 212.293 0.664 20 30 BCEDRO CC#CC[N@H+]1CCC(OC)(OC)[C@H](O)C1 ZINC000931636972 640298418 /nfs/dbraw/zinc/29/84/18/640298418.db2.gz YSQNQETZEVWQTD-SNVBAGLBSA-N 1 0 213.277 0.065 20 30 BCEDRO CCOC[C@@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000929779032 641534329 /nfs/dbraw/zinc/53/43/29/641534329.db2.gz MOIPIKAVFCYSKA-GHMZBOCLSA-N 1 0 212.293 0.619 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H](C1CC1)[NH+](C)C ZINC000666809627 487884319 /nfs/dbraw/zinc/88/43/19/487884319.db2.gz MVJLHDJMAIAYEK-ZYHUDNBSSA-N 1 0 226.320 0.380 20 30 BCEDRO CC#CCN(C)C(=O)NCCC1(C[NH3+])CC1 ZINC000652233419 487886958 /nfs/dbraw/zinc/88/69/58/487886958.db2.gz WEKVPPATLQZGGK-UHFFFAOYSA-N 1 0 223.320 0.780 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+](C)CC1(O)CCOCC1 ZINC000682038229 487888159 /nfs/dbraw/zinc/88/81/59/487888159.db2.gz OUJCQRZKSLFQOL-LLVKDONJSA-N 1 0 229.320 0.397 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000666913226 487902793 /nfs/dbraw/zinc/90/27/93/487902793.db2.gz FYZIQRBACKVUEM-MWLCHTKSSA-N 1 0 224.304 0.134 20 30 BCEDRO C=C[C@](C)(O)C(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000666914213 487903244 /nfs/dbraw/zinc/90/32/44/487903244.db2.gz AJEFCTYLQJJJET-MFKMUULPSA-N 1 0 238.331 0.524 20 30 BCEDRO COCC#CC[N@@H+]1CC[C@H](C)[C@H](OC)C1 ZINC000682220949 487928697 /nfs/dbraw/zinc/92/86/97/487928697.db2.gz QVIVFRNEIQQAEK-NWDGAFQWSA-N 1 0 211.305 0.993 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@H](C)O[C@H](COC)C1 ZINC000682221867 487929262 /nfs/dbraw/zinc/92/92/62/487929262.db2.gz RDJJTLZRXYPTQM-SRVKXCTJSA-N 1 0 229.320 0.659 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@@H](C)O[C@@H](COC)C1 ZINC000682221869 487929776 /nfs/dbraw/zinc/92/97/76/487929776.db2.gz RDJJTLZRXYPTQM-UTUOFQBUSA-N 1 0 229.320 0.659 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC1CC[NH+](CC)CC1 ZINC000667111866 487940556 /nfs/dbraw/zinc/94/05/56/487940556.db2.gz NMHGLXXVMSPURF-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676887754 487941878 /nfs/dbraw/zinc/94/18/78/487941878.db2.gz LAFRSMMCIDKJOT-NXEZZACHSA-N 1 0 212.293 0.121 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@H](CC(N)=O)C1 ZINC000676887760 487941835 /nfs/dbraw/zinc/94/18/35/487941835.db2.gz LAFRSMMCIDKJOT-ZJUUUORDSA-N 1 0 212.293 0.121 20 30 BCEDRO CC#CCNC(=O)Nc1cnn(CC[NH+](C)C)c1 ZINC000682396069 487946409 /nfs/dbraw/zinc/94/64/09/487946409.db2.gz MAFHWJDOLXVCCS-UHFFFAOYSA-N 1 0 249.318 0.590 20 30 BCEDRO C[C@@H](C[NH+](C)C)NC(=O)NCC1(C#N)CC1 ZINC000561523649 323003661 /nfs/dbraw/zinc/00/36/61/323003661.db2.gz OYUZRBKHHFBWBV-VIFPVBQESA-N 1 0 224.308 0.539 20 30 BCEDRO C=CC[C@H](CO)NC(=O)[C@H]1CCCC[N@H+]1CC ZINC000248484595 323022079 /nfs/dbraw/zinc/02/20/79/323022079.db2.gz DLYDJDPKGRQRQX-VXGBXAGGSA-N 1 0 240.347 0.914 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1cccnc1 ZINC000064615478 323035794 /nfs/dbraw/zinc/03/57/94/323035794.db2.gz AXPIOADVOSFFOY-UHFFFAOYSA-N 1 0 217.272 0.311 20 30 BCEDRO C[C@H](CC[NH+](C)C)NC(=O)[C@@]1(C#N)C[C@@H]1C ZINC000448976488 323037307 /nfs/dbraw/zinc/03/73/07/323037307.db2.gz NAYBVYBRXUNUNW-HOSYDEDBSA-N 1 0 223.320 0.993 20 30 BCEDRO C[NH+](C)[C@H](CNC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC000159583879 323039352 /nfs/dbraw/zinc/03/93/52/323039352.db2.gz FYLJDGHMSHCVOG-GFCCVEGCSA-N 1 0 246.314 0.956 20 30 BCEDRO N#CCCNCCC[N@H+]1CCC[C@@H](C(N)=O)C1 ZINC000569960708 323045858 /nfs/dbraw/zinc/04/58/58/323045858.db2.gz MBKAXDUKOFDUJT-LLVKDONJSA-N 1 0 238.335 0.077 20 30 BCEDRO N#Cc1ccc(CN2CC[C@H](O)C2)nc1 ZINC000570111600 323050465 /nfs/dbraw/zinc/05/04/65/323050465.db2.gz RSDHBEOZMNQIAA-NSHDSACASA-N 1 0 203.245 0.520 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCN(C(=O)N(C)C)CC1 ZINC000677046694 487957342 /nfs/dbraw/zinc/95/73/42/487957342.db2.gz GSOPBIOJNQOONN-LLVKDONJSA-N 1 0 241.335 0.223 20 30 BCEDRO CC(C)[C@@H](C#N)NC(=O)C[N@@H+]1CC[C@@H](C)C1 ZINC000570697230 323067679 /nfs/dbraw/zinc/06/76/79/323067679.db2.gz ZXPPWELLPYUIIM-GHMZBOCLSA-N 1 0 223.320 0.993 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H]1CCCNC1=O ZINC000572778170 323068323 /nfs/dbraw/zinc/06/83/23/323068323.db2.gz ABTFCSFJCDYUKF-NXEZZACHSA-N 1 0 209.293 0.794 20 30 BCEDRO C[NH2+]CC(=O)NCc1ccc(CC#N)cc1 ZINC000570802194 323070713 /nfs/dbraw/zinc/07/07/13/323070713.db2.gz NMCXUQRCPUJHHF-UHFFFAOYSA-N 1 0 217.272 0.588 20 30 BCEDRO C=C(CC)CNC(=O)C(=O)N[C@H](C)C[C@H](C)[NH3+] ZINC000570843949 323072181 /nfs/dbraw/zinc/07/21/81/323072181.db2.gz WIFYMVLTSMKSNG-VHSXEESVSA-N 1 0 241.335 0.311 20 30 BCEDRO COCCOC[C@@H](O)C[NH2+]CC1(C#N)CCC1 ZINC000563008415 323079630 /nfs/dbraw/zinc/07/96/30/323079630.db2.gz YFKHNYQMBSDJQN-NSHDSACASA-N 1 0 242.319 0.294 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H](C)C[C@@H](C)[NH3+] ZINC000570960292 323101640 /nfs/dbraw/zinc/10/16/40/323101640.db2.gz OFXJCSDGQVVNCN-ZJUUUORDSA-N 1 0 211.309 0.777 20 30 BCEDRO CNC(=O)[C@H]1CC[N@@H+]([C@@H](C)CCC#N)C1 ZINC000571048852 323105305 /nfs/dbraw/zinc/10/53/05/323105305.db2.gz AMRIJZBXLKFWJI-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CCN1CC[C@H](N2CC[C@@H]([NH3+])C[C@@H]2C)C1=O ZINC000563349501 323120013 /nfs/dbraw/zinc/12/00/13/323120013.db2.gz RTGZPOZMNVVLQC-TUAOUCFPSA-N 1 0 237.347 0.585 20 30 BCEDRO C[N@@H+]1CC[C@@H]2CN(c3ccnc(C#N)n3)C[C@@H]21 ZINC000563425336 323126084 /nfs/dbraw/zinc/12/60/84/323126084.db2.gz OEYCDIFWUQOKIB-ZJUUUORDSA-N 1 0 229.287 0.489 20 30 BCEDRO Cc1nc(C(=O)NC[C@H]([NH3+])C2CC2)ccc1C#N ZINC000563543747 323129558 /nfs/dbraw/zinc/12/95/58/323129558.db2.gz QFUDAAWHAUEQRZ-NSHDSACASA-N 1 0 244.298 0.729 20 30 BCEDRO CN(C[C@H]1CCC[N@@H+]1C)c1cc(C#N)ncn1 ZINC000310286546 323129897 /nfs/dbraw/zinc/12/98/97/323129897.db2.gz MLFOIXWOADGLBM-LLVKDONJSA-N 1 0 231.303 0.879 20 30 BCEDRO C[C@@H]1CN(c2cc(C#N)ncn2)C[C@H](C)[N@H+]1C ZINC000310397674 323130941 /nfs/dbraw/zinc/13/09/41/323130941.db2.gz SYEPHYMFSQOWAX-AOOOYVTPSA-N 1 0 231.303 0.877 20 30 BCEDRO C=C(C)CN1CCC([NH2+]C[C@H](C)O)CC1 ZINC000563617757 323131792 /nfs/dbraw/zinc/13/17/92/323131792.db2.gz RVACJKQDYJVYTR-NSHDSACASA-N 1 0 212.337 0.997 20 30 BCEDRO CN1CC[N@H+](C)C[C@@H]1CNc1ncncc1C#N ZINC000310733974 323134433 /nfs/dbraw/zinc/13/44/33/323134433.db2.gz OIJLPBJVMMWHDG-NSHDSACASA-N 1 0 246.318 0.006 20 30 BCEDRO CN1CC[N@H+](C)C[C@H]1CNc1ncncc1C#N ZINC000310733973 323134480 /nfs/dbraw/zinc/13/44/80/323134480.db2.gz OIJLPBJVMMWHDG-LLVKDONJSA-N 1 0 246.318 0.006 20 30 BCEDRO C[C@@H](C#N)CNC[C@H](O)C[N@H+](C)C1CC1 ZINC000571316013 323141266 /nfs/dbraw/zinc/14/12/66/323141266.db2.gz RMFZVZWGHZGVGL-ONGXEEELSA-N 1 0 211.309 0.191 20 30 BCEDRO C#CC[N@H+]1CCC[C@H](N2CCCC2=O)C1 ZINC000111295716 323158468 /nfs/dbraw/zinc/15/84/68/323158468.db2.gz HYAFQMVLCDALOG-NSHDSACASA-N 1 0 206.289 0.706 20 30 BCEDRO CN(CC[NH+](C)C)C(=O)c1ccc(C#N)cn1 ZINC000111397672 323159656 /nfs/dbraw/zinc/15/96/56/323159656.db2.gz JJEKOPOJYSLRSJ-UHFFFAOYSA-N 1 0 232.287 0.587 20 30 BCEDRO CN(CC[NH+](C)C)c1ccnc(C#N)n1 ZINC000308850971 323180112 /nfs/dbraw/zinc/18/01/12/323180112.db2.gz MSTBEZCYYBJFCJ-UHFFFAOYSA-N 1 0 205.265 0.346 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@@H](O)CN(C)C1CC1 ZINC000320666482 323182950 /nfs/dbraw/zinc/18/29/50/323182950.db2.gz RMUSPVJGTJZYOA-WCQYABFASA-N 1 0 242.363 0.358 20 30 BCEDRO C[C@@H](C#N)CNC(=O)[C@@H](C)C[NH+]1CCOCC1 ZINC000535761345 323190614 /nfs/dbraw/zinc/19/06/14/323190614.db2.gz PYJLXMZHINIIFK-QWRGUYRKSA-N 1 0 239.319 0.231 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC1([NH+](C)C)CCC1 ZINC000527352682 323196896 /nfs/dbraw/zinc/19/68/96/323196896.db2.gz ABMNXHAFYQYXOG-JTQLQIEISA-N 1 0 238.335 0.930 20 30 BCEDRO C#CCN(CC(=C)C)[C@H]1CCS(=O)(=O)C1 ZINC000104093198 323260911 /nfs/dbraw/zinc/26/09/11/323260911.db2.gz GIJKISYNPCNJOX-NSHDSACASA-N 1 0 227.329 0.685 20 30 BCEDRO C=C(C)[C@@H](CO)N1CCN(c2ncccn2)CC1 ZINC000677047389 487957961 /nfs/dbraw/zinc/95/79/61/487957961.db2.gz YLKABYVKVFLDRB-GFCCVEGCSA-N 1 0 248.330 0.536 20 30 BCEDRO CN(CCC#N)C[C@H](O)C[NH2+]CC1CC1 ZINC000571993703 323518866 /nfs/dbraw/zinc/51/88/66/323518866.db2.gz GYIVWHFXMVFITL-LLVKDONJSA-N 1 0 211.309 0.192 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCCN(C(N)=O)CC1 ZINC000677048493 487959158 /nfs/dbraw/zinc/95/91/58/487959158.db2.gz YXXGEIQTWCPJFH-JTQLQIEISA-N 1 0 227.308 0.010 20 30 BCEDRO CCNC(=O)CC[NH+]1CCC(C#N)CC1 ZINC000057875819 323935695 /nfs/dbraw/zinc/93/56/95/323935695.db2.gz NHVISWKTAAFLDQ-UHFFFAOYSA-N 1 0 209.293 0.748 20 30 BCEDRO CC1CC(C#N)(C(=O)N(C)CC[NH+](C)C)C1 ZINC000122389863 324043235 /nfs/dbraw/zinc/04/32/35/324043235.db2.gz QJKCJVZWWOFXMJ-UHFFFAOYSA-N 1 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201.291 0.129 20 30 BCEDRO C[C@@H](C#N)CNC(=O)NCC[NH+]1CCC1 ZINC000542877456 325060209 /nfs/dbraw/zinc/06/02/09/325060209.db2.gz SUIMLSMXCXHIRO-VIFPVBQESA-N 1 0 210.281 0.151 20 30 BCEDRO C=CCC[NH+]1CCN(CC(=O)NCC)CC1 ZINC000132464052 325218390 /nfs/dbraw/zinc/21/83/90/325218390.db2.gz GFQYMGFEYQGMHT-UHFFFAOYSA-N 1 0 225.336 0.316 20 30 BCEDRO C=CC[C@H](CO)CNc1cc[nH+]cc1C(N)=O ZINC000546580951 325288548 /nfs/dbraw/zinc/28/85/48/325288548.db2.gz ZMYVXXDSKFPLRZ-VIFPVBQESA-N 1 0 235.287 0.199 20 30 BCEDRO C=CCNC(=O)NC(=O)[C@H](C)[N@H+]1[C@H](C)C[C@@H]1C ZINC000547768572 325394525 /nfs/dbraw/zinc/39/45/25/325394525.db2.gz AWGMZPLLLOEPEK-AEJSXWLSSA-N 1 0 239.319 0.869 20 30 BCEDRO CCC(=O)Nc1n[nH]c(CCC[NH2+]C)c1C#N ZINC000551836517 325571290 /nfs/dbraw/zinc/57/12/90/325571290.db2.gz LPNOIRKKIKGZSD-UHFFFAOYSA-N 1 0 235.291 0.782 20 30 BCEDRO N#Cc1ncn(CC[NH2+][C@H]2CC[C@@H]2C2CC2)n1 ZINC000554377139 325717423 /nfs/dbraw/zinc/71/74/23/325717423.db2.gz JDLFCMXXHXROAN-MNOVXSKESA-N 1 0 231.303 0.928 20 30 BCEDRO C[C@H](CC[NH3+])NC(=O)COc1ccc(C#N)cc1 ZINC000565151742 325862629 /nfs/dbraw/zinc/86/26/29/325862629.db2.gz PMOHMNBASMSDCQ-SNVBAGLBSA-N 1 0 247.298 0.791 20 30 BCEDRO C=CCn1cc(CN[C@H]2CC[NH2+]CC[C@H]2C)nn1 ZINC000566103824 325995493 /nfs/dbraw/zinc/99/54/93/325995493.db2.gz NCTPOOMRRODBHP-YPMHNXCESA-N 1 0 249.362 0.942 20 30 BCEDRO C[N@H+]1C[C@H]2CN(c3ccc(C#N)c(N)n3)C[C@H]2C1 ZINC000566482125 326055840 /nfs/dbraw/zinc/05/58/40/326055840.db2.gz KREMLMIXFXUWFK-PHIMTYICSA-N 1 0 243.314 0.533 20 30 BCEDRO C[C@H]1[C@H](C)[N@H+](C)CCN1c1ccnc(C#N)n1 ZINC000566485344 326057035 /nfs/dbraw/zinc/05/70/35/326057035.db2.gz GSDUGZCWMNNKEV-UWVGGRQHSA-N 1 0 231.303 0.877 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]CC[C@H]1CCNC1=O ZINC000567059249 326109150 /nfs/dbraw/zinc/10/91/50/326109150.db2.gz STWWHVDTQWRWHC-TUAOUCFPSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C1CCN(C(=O)C[NH2+]C[C@H]2CCCO2)CC1 ZINC000567362834 326174485 /nfs/dbraw/zinc/17/44/85/326174485.db2.gz GQBJKBWPQBDSAR-GFCCVEGCSA-N 1 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BCEDRO CN(CCc1nccs1)CC(=O)NCC#N ZINC000157572878 326284296 /nfs/dbraw/zinc/28/42/96/326284296.db2.gz KJNSBRBQVLULQG-UHFFFAOYSA-N 1 0 238.316 0.257 20 30 BCEDRO COC[C@](C)(C#N)NC(=O)C[N@@H+]1CC[C@H](C)C1 ZINC000568104985 326309078 /nfs/dbraw/zinc/30/90/78/326309078.db2.gz KYGNRQZBKUTYDK-JQWIXIFHSA-N 1 0 239.319 0.373 20 30 BCEDRO C[NH+](C)Cc1ccccc1C(=O)NCC#CCO ZINC000568217982 326327837 /nfs/dbraw/zinc/32/78/37/326327837.db2.gz CAPYWHAADOIHDV-UHFFFAOYSA-N 1 0 246.310 0.474 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1CCOCCC#N ZINC000568503780 326360699 /nfs/dbraw/zinc/36/06/99/326360699.db2.gz SUGKDIMZYLYQAD-LBPRGKRZSA-N 1 0 225.336 0.943 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)COC ZINC000568742354 326374471 /nfs/dbraw/zinc/37/44/71/326374471.db2.gz OQKFFYQEDKAYLT-MXWKQRLJSA-N 1 0 215.293 0.317 20 30 BCEDRO N#Cc1ccc(OCCn2nnnc2C[NH3+])cc1 ZINC000569240230 326397305 /nfs/dbraw/zinc/39/73/05/326397305.db2.gz KGRYBAUSVRMAEB-UHFFFAOYSA-N 1 0 244.258 0.082 20 30 BCEDRO Cc1ccc(OC[C@@H](O)C[NH2+]CC#CCO)cc1 ZINC000569243288 326397510 /nfs/dbraw/zinc/39/75/10/326397510.db2.gz GWXYMZLNWNNZAM-ZDUSSCGKSA-N 1 0 249.310 0.320 20 30 BCEDRO Cc1nc(C(=O)NC[C@@H]2CCC[NH2+]2)ccc1C#N ZINC000572970328 326421824 /nfs/dbraw/zinc/42/18/24/326421824.db2.gz LCDZKIQAXSMVHH-NSHDSACASA-N 1 0 244.298 0.744 20 30 BCEDRO N#CC1(C(=O)NC[C@@H]([NH3+])C2CC2)CCCC1 ZINC000573262351 326438352 /nfs/dbraw/zinc/43/83/52/326438352.db2.gz CBNVQZPPELLYQO-SNVBAGLBSA-N 1 0 221.304 0.924 20 30 BCEDRO COCC#CC[N@@H+]1C[C@@H]2CCC[C@H]2[C@@H]1C(N)=O ZINC000682538995 487980734 /nfs/dbraw/zinc/98/07/34/487980734.db2.gz MNBIMIYKOHWYED-QJPTWQEYSA-N 1 0 236.315 0.222 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N(C)[C@H]1CC[N@@H+](C2CC2)C1 ZINC000668598036 487985425 /nfs/dbraw/zinc/98/54/25/487985425.db2.gz HSDJJXOQVQAJPN-WCQYABFASA-N 1 0 238.331 0.619 20 30 BCEDRO C=C[C@@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000668599258 487988572 /nfs/dbraw/zinc/98/85/72/487988572.db2.gz RSYDLIAJVXSSMU-GHMZBOCLSA-N 1 0 224.304 0.228 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CC[N@@H+](C(C)C)C1 ZINC000667377184 487990017 /nfs/dbraw/zinc/99/00/17/487990017.db2.gz MWQHNQYAJNQYOM-DGCLKSJQSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@H+]1CCCC[C@H]1C ZINC000666427351 488002367 /nfs/dbraw/zinc/00/23/67/488002367.db2.gz TXYRVXMUBNPNON-MNOVXSKESA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000669123629 488012861 /nfs/dbraw/zinc/01/28/61/488012861.db2.gz HBOVJYYMQYVLFD-TUAOUCFPSA-N 1 0 240.347 0.722 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1cc(C)cc(C)c1 ZINC000491508040 488033417 /nfs/dbraw/zinc/03/34/17/488033417.db2.gz YEWHEBFVMVNUBO-KGLIPLIRSA-N 1 0 233.311 0.921 20 30 BCEDRO C#CCN(C(=O)NC[C@H]([NH3+])C(C)C)C1CC1 ZINC000491526390 488034788 /nfs/dbraw/zinc/03/47/88/488034788.db2.gz ZBEHBWYDXDFLNR-NSHDSACASA-N 1 0 223.320 0.777 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCOC(C)(C)[C@@H]1C ZINC000491703996 488037582 /nfs/dbraw/zinc/03/75/82/488037582.db2.gz JZPBONRHBNKFNR-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)N(C)CC(F)F ZINC000491704224 488037640 /nfs/dbraw/zinc/03/76/40/488037640.db2.gz OMQPFHTYKJTLPT-UHFFFAOYSA-N 1 0 247.289 0.848 20 30 BCEDRO C[N@@H+]1CCCC[C@@H]1C(=O)NCC1(C#N)CC1 ZINC000619545313 488041094 /nfs/dbraw/zinc/04/10/94/488041094.db2.gz JAQCDICFZIULFL-SNVBAGLBSA-N 1 0 221.304 0.891 20 30 BCEDRO C=C[C@H](O)C(=O)N(C)[C@@H]1CCC[N@H+](C)C1 ZINC000669179284 488045278 /nfs/dbraw/zinc/04/52/78/488045278.db2.gz VUUILRSBAMKOJP-ZJUUUORDSA-N 1 0 212.293 0.086 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CCC[N@@H+](CC)C1 ZINC000667563081 488046801 /nfs/dbraw/zinc/04/68/01/488046801.db2.gz UMQYYRUUUQJUAB-WCQYABFASA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CCC[N@@H+](C(C)(C)C)CC1 ZINC000667561963 488046828 /nfs/dbraw/zinc/04/68/28/488046828.db2.gz NEJGAKRMILMMGD-LLVKDONJSA-N 1 0 240.347 0.866 20 30 BCEDRO C=C[C@H](O)C(=O)N1CCC[C@H]1C[NH+]1CCCC1 ZINC000667608293 488058347 /nfs/dbraw/zinc/05/83/47/488058347.db2.gz BSICWPRMBJCSNS-RYUDHWBXSA-N 1 0 238.331 0.620 20 30 BCEDRO C=C[C@@H](O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000668687414 488116148 /nfs/dbraw/zinc/11/61/48/488116148.db2.gz CDZOCUFBJZTRDD-NXEZZACHSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](C)C[NH+](CC)CC ZINC000668687420 488116306 /nfs/dbraw/zinc/11/63/06/488116306.db2.gz CDZOCUFBJZTRDD-ZJUUUORDSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCCC1CC[NH+](C)CC1 ZINC000667771731 488116765 /nfs/dbraw/zinc/11/67/65/488116765.db2.gz JRYJRFRAYQTZRE-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H](C)CC[NH+](C)C ZINC000668693087 488122631 /nfs/dbraw/zinc/12/26/31/488122631.db2.gz NEBCUQSGCCFAEZ-KOLCDFICSA-N 1 0 214.309 0.380 20 30 BCEDRO COCC#CCN1CC[NH+](C(C)(C)CO)CC1 ZINC000677818712 488132746 /nfs/dbraw/zinc/13/27/46/488132746.db2.gz GRTSLTLNAIOLEY-UHFFFAOYSA-N 1 0 240.347 0.025 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@@H](C)C1CC[NH+](C)CC1 ZINC000668700589 488133850 /nfs/dbraw/zinc/13/38/50/488133850.db2.gz DTOIVLMRZJCRAH-GXFFZTMASA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCCCNC(=O)N1CCO[C@H]([C@H](C)[NH3+])C1 ZINC000669573437 487544821 /nfs/dbraw/zinc/54/48/21/487544821.db2.gz KTAIEOSFHKLDRH-QWRGUYRKSA-N 1 0 241.335 0.710 20 30 BCEDRO C=C[C@@H](O)C(=O)N1CC[C@H](C[NH+](CC)CC)C1 ZINC000669338262 487531310 /nfs/dbraw/zinc/53/13/10/487531310.db2.gz DUBGYEHUGPJMNG-VXGBXAGGSA-N 1 0 240.347 0.724 20 30 BCEDRO C=CCCOCC[NH2+][C@@H]1CCCNC(=O)C1 ZINC000231802721 487475916 /nfs/dbraw/zinc/47/59/16/487475916.db2.gz UXWVEVLTWVCSOR-LLVKDONJSA-N 1 0 226.320 0.837 20 30 BCEDRO CC#CCCNC(=O)N[C@@H]1CCC[NH2+]CC1 ZINC000669563889 487485773 /nfs/dbraw/zinc/48/57/73/487485773.db2.gz YWWCFJGBKBLTCZ-LLVKDONJSA-N 1 0 223.320 0.841 20 30 BCEDRO C=CCN1CC[C@@H]([N@@H+](C)C[C@H](C)CO)C1=O ZINC000685001450 487488796 /nfs/dbraw/zinc/48/87/96/487488796.db2.gz HZKHXWHSPZMVKA-WDEREUQCSA-N 1 0 226.320 0.334 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000668755984 487489050 /nfs/dbraw/zinc/48/90/50/487489050.db2.gz SBOOVRVGCSOAMA-NXEZZACHSA-N 1 0 222.292 0.061 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]([NH3+])C[C@@H]1C ZINC000237633046 487496558 /nfs/dbraw/zinc/49/65/58/487496558.db2.gz GHGPTFAEZMLGCT-VHSXEESVSA-N 1 0 232.349 0.704 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]([NH3+])C[C@H]1C ZINC000381366118 487504910 /nfs/dbraw/zinc/50/49/10/487504910.db2.gz GHGPTFAEZMLGCT-ZJUUUORDSA-N 1 0 232.349 0.704 20 30 BCEDRO COCC#CC[N@@H+]1CCC[C@H]1C[C@@H](C)O ZINC000677819673 487515620 /nfs/dbraw/zinc/51/56/20/487515620.db2.gz KICNLNGPXPFWDF-NEPJUHHUSA-N 1 0 211.305 0.872 20 30 BCEDRO C=CCNC(=O)N1CC[C@]2(C1)CCC[NH2+]C2 ZINC000334600897 487526452 /nfs/dbraw/zinc/52/64/52/487526452.db2.gz SULQXVOBEVJMEN-GFCCVEGCSA-N 1 0 223.320 0.958 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(CCC)CC[NH+](C)C ZINC000668301586 487636303 /nfs/dbraw/zinc/63/63/03/487636303.db2.gz NGDZPXFGWFQVQI-LBPRGKRZSA-N 1 0 228.336 0.724 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+](CC)CC(=O)N(C)C ZINC000675495321 487741804 /nfs/dbraw/zinc/74/18/04/487741804.db2.gz MINRGWMVCNVQTM-NSHDSACASA-N 1 0 228.336 0.724 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CCC[C@@]12CCNC2=O ZINC000516875351 488109993 /nfs/dbraw/zinc/10/99/93/488109993.db2.gz MRBWPSNGCFMXHY-AAEUAGOBSA-N 1 0 238.331 0.668 20 30 BCEDRO CC#CCNC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000677808106 488127392 /nfs/dbraw/zinc/12/73/92/488127392.db2.gz BFYNKILVEYWWKI-JTQLQIEISA-N 1 0 209.293 0.403 20 30 BCEDRO C=CCOCCNC(=O)[C@@H](C)C[NH2+]C ZINC000379494632 488140094 /nfs/dbraw/zinc/14/00/94/488140094.db2.gz WTHISUFYSMOVBT-VIFPVBQESA-N 1 0 200.282 0.161 20 30 BCEDRO C=CCOCCNC(=O)[C@@]1(C)CCC[NH2+]1 ZINC000379804075 488150333 /nfs/dbraw/zinc/15/03/33/488150333.db2.gz LLSZWXKAIXOXTH-LLVKDONJSA-N 1 0 212.293 0.447 20 30 BCEDRO COCC#CC[N@H+](C)[C@@H](CO)COC(C)C ZINC000683371952 488154848 /nfs/dbraw/zinc/15/48/48/488154848.db2.gz FROUBFAXQGNFRS-LBPRGKRZSA-N 1 0 229.320 0.354 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CCC[C@H](CCC(N)=O)C1 ZINC000677950912 488164323 /nfs/dbraw/zinc/16/43/23/488164323.db2.gz DQCKPLXQNCLJOJ-NEPJUHHUSA-N 1 0 240.347 0.901 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+](CC)CC(=O)NCC ZINC000677951694 488164820 /nfs/dbraw/zinc/16/48/20/488164820.db2.gz QQXFXODPQYACKL-JTQLQIEISA-N 1 0 214.309 0.381 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000668011523 488183882 /nfs/dbraw/zinc/18/38/82/488183882.db2.gz DMPJRVUALVRCAU-CMPLNLGQSA-N 1 0 228.336 0.770 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1CC[C@H](C[NH+](C)C)C1 ZINC000668743252 488199098 /nfs/dbraw/zinc/19/90/98/488199098.db2.gz RWXJXLVDEKRXRB-PWSUYJOCSA-N 1 0 226.320 0.334 20 30 BCEDRO C=C[C@@H](O)C(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000668095880 488201926 /nfs/dbraw/zinc/20/19/26/488201926.db2.gz SHLMSOMCXUSBNX-WCBMZHEXSA-N 1 0 212.293 0.132 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@@H](C)[N@H+](C)C1CC1 ZINC000668095879 488202313 /nfs/dbraw/zinc/20/23/13/488202313.db2.gz SHLMSOMCXUSBNX-SCZZXKLOSA-N 1 0 212.293 0.132 20 30 BCEDRO C=CCOCCNC(=O)N[C@H](C[NH3+])CC(C)C ZINC000669555367 488216553 /nfs/dbraw/zinc/21/65/53/488216553.db2.gz TYKYRYYZLBBAIA-NSHDSACASA-N 1 0 243.351 0.862 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CCC[N@@H+]1C1CC1 ZINC000683868837 488234877 /nfs/dbraw/zinc/23/48/77/488234877.db2.gz JWBICFBOMMLPEV-GFCCVEGCSA-N 1 0 238.331 0.932 20 30 BCEDRO CC(C)(CCC(=O)NO)[NH+]1CCOCC1 ZINC000671997635 488235652 /nfs/dbraw/zinc/23/56/52/488235652.db2.gz YPBKRPZXEQIEJL-UHFFFAOYSA-N 1 0 216.281 0.383 20 30 BCEDRO C=CCCC(=O)N1CCC[C@](O)(C[NH+](C)C)C1 ZINC000683910618 488243967 /nfs/dbraw/zinc/24/39/67/488243967.db2.gz JWUNVEBKGSRHKC-ZDUSSCGKSA-N 1 0 240.347 0.868 20 30 BCEDRO CCC#C[C@H](C)[N@@H+]1CCC[C@@]2(C1)NC(=O)NC2=O ZINC000684008141 488254610 /nfs/dbraw/zinc/25/46/10/488254610.db2.gz MEXNPJWFLZHKLQ-GWCFXTLKSA-N 1 0 249.314 0.462 20 30 BCEDRO COCC#CC[N@H+](C)CCc1cnccn1 ZINC000678467507 488257926 /nfs/dbraw/zinc/25/79/26/488257926.db2.gz WIYYUIZYAXXVEH-UHFFFAOYSA-N 1 0 219.288 0.601 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H]1CNc2ccnn2C1 ZINC000684202930 488276136 /nfs/dbraw/zinc/27/61/36/488276136.db2.gz ZHSUESJHOGCZTA-MNOVXSKESA-N 1 0 236.319 0.451 20 30 BCEDRO COCC#CCN(C)C[C@H](O)C(F)(F)F ZINC000678722572 488279117 /nfs/dbraw/zinc/27/91/17/488279117.db2.gz CTFKDMKKBYPYPF-QMMMGPOBSA-N 1 0 225.210 0.491 20 30 BCEDRO COCC#CCN1CCO[C@H](C(C)C)C1 ZINC000679218312 488318065 /nfs/dbraw/zinc/31/80/65/488318065.db2.gz AJNORNUHDMYREC-LBPRGKRZSA-N 1 0 211.305 0.993 20 30 BCEDRO C=C(C)[C@H](CO)[N@@H+]1CC[C@](C)(C(=O)NC)C1 ZINC000684668237 488337477 /nfs/dbraw/zinc/33/74/77/488337477.db2.gz IKMHFXUBUYFCKQ-JQWIXIFHSA-N 1 0 226.320 0.381 20 30 BCEDRO C=C(C)CS(=O)(=O)NCC[N@H+]1CC[C@@H](C)C1 ZINC000684761961 488340668 /nfs/dbraw/zinc/34/06/68/488340668.db2.gz BZZLPTKXTMHSAI-LLVKDONJSA-N 1 0 246.376 0.824 20 30 BCEDRO C=CCOCCNC(=O)NCC[NH+]1CCC1 ZINC000679629490 488360418 /nfs/dbraw/zinc/36/04/18/488360418.db2.gz ZHQHBTYHEJFNJA-UHFFFAOYSA-N 1 0 227.308 0.194 20 30 BCEDRO OC[C@@H]1CCN(CC#Cc2ccccc2)C[C@@H]1O ZINC000676560760 490123838 /nfs/dbraw/zinc/12/38/38/490123838.db2.gz OMRRIAGTHLEYRK-GJZGRUSLSA-N 1 0 245.322 0.713 20 30 BCEDRO C=C[C@@H](C)NC(=O)C1(COC)CC[NH2+]CC1 ZINC000234615736 490140203 /nfs/dbraw/zinc/14/02/03/490140203.db2.gz CIINUJWENBTPMT-SNVBAGLBSA-N 1 0 226.320 0.693 20 30 BCEDRO C=C[C@H](C)NC(=O)C1(COC)CC[NH2+]CC1 ZINC000234612744 490140073 /nfs/dbraw/zinc/14/00/73/490140073.db2.gz CIINUJWENBTPMT-JTQLQIEISA-N 1 0 226.320 0.693 20 30 BCEDRO CCC#C[C@H](C)N1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653829790 490146308 /nfs/dbraw/zinc/14/63/08/490146308.db2.gz XMDBLNCRXWQPOT-RWMBFGLXSA-N 1 0 222.332 0.539 20 30 BCEDRO N#CCCC[NH2+][C@@H](CO)[C@H]1CCCOC1 ZINC000595545162 490161300 /nfs/dbraw/zinc/16/13/00/490161300.db2.gz PHWGECAUQGCHRS-QWRGUYRKSA-N 1 0 212.293 0.667 20 30 BCEDRO N#CCCC[NH2+][C@H](CO)[C@@H]1CCCOC1 ZINC000595545160 490161515 /nfs/dbraw/zinc/16/15/15/490161515.db2.gz PHWGECAUQGCHRS-GHMZBOCLSA-N 1 0 212.293 0.667 20 30 BCEDRO COC(=O)[C@](C)(O)C[NH+]1CCC(C)(C#N)CC1 ZINC000408183917 490165352 /nfs/dbraw/zinc/16/53/52/490165352.db2.gz VBAYMDXNTSMZBP-GFCCVEGCSA-N 1 0 240.303 0.536 20 30 BCEDRO CO[C@@H]1C[NH2+][C@@H](C(=O)N[C@@H]2CC[C@H](C#N)C2)C1 ZINC000566198985 490203801 /nfs/dbraw/zinc/20/38/01/490203801.db2.gz LBGIPYGSKYKJDR-ZRUFSTJUSA-N 1 0 237.303 0.172 20 30 BCEDRO C=CCCOCC(=O)N[C@]1(C)CC[NH2+]C1 ZINC000663007637 490282062 /nfs/dbraw/zinc/28/20/62/490282062.db2.gz CBIPDYRYDIGYFX-LLVKDONJSA-N 1 0 212.293 0.447 20 30 BCEDRO C[NH+]=C(NCc1ccnn1C)N[C@H]1C[C@H]1C ZINC000083858401 490562749 /nfs/dbraw/zinc/56/27/49/490562749.db2.gz HMXGIBPQDYGWEI-SCZZXKLOSA-N 1 0 221.308 0.494 20 30 BCEDRO COCC#CC[NH+]1CCC([C@H](C)O)CC1 ZINC000677818022 490664631 /nfs/dbraw/zinc/66/46/31/490664631.db2.gz SGHQVRWZQUYSOE-NSHDSACASA-N 1 0 211.305 0.729 20 30 BCEDRO C=C[C@](C)(O)C(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000669184043 491092693 /nfs/dbraw/zinc/09/26/93/491092693.db2.gz WEILBSMXASFECH-SCVCMEIPSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+]2CC[C@@H](CO)C2)C1=O ZINC000281942837 491120801 /nfs/dbraw/zinc/12/08/01/491120801.db2.gz IZNSRTHZXLZXQL-MNOVXSKESA-N 1 0 224.304 0.088 20 30 BCEDRO Cc1cc(C[NH+](CCO)CCO)ccc1C#N ZINC000487913944 534169381 /nfs/dbraw/zinc/16/93/81/534169381.db2.gz OZDSVEIGTCNCEA-UHFFFAOYSA-N 1 0 234.299 0.653 20 30 BCEDRO CC#CCCNC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000891812156 582725368 /nfs/dbraw/zinc/72/53/68/582725368.db2.gz ONEQDDQOBYATAX-PHIMTYICSA-N 1 0 221.304 0.546 20 30 BCEDRO C#CCCCNC(=O)N1C[C@@H]([NH3+])C[C@H]1C ZINC000891848771 582729942 /nfs/dbraw/zinc/72/99/42/582729942.db2.gz RFXHMDKQVBVMRT-ZJUUUORDSA-N 1 0 209.293 0.531 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]1CCCC[N@H+]1CC ZINC000668574095 582771698 /nfs/dbraw/zinc/77/16/98/582771698.db2.gz BAQYCZMJISAAPE-WCQYABFASA-N 1 0 240.347 0.914 20 30 BCEDRO CN1C(=O)CC[C@H]([NH2+][C@H]2CCC[C@@H](C#N)C2)C1=O ZINC000333607320 536310319 /nfs/dbraw/zinc/31/03/19/536310319.db2.gz RICGLPVYFPFWCE-VWYCJHECSA-N 1 0 249.314 0.806 20 30 BCEDRO CNC(=[NH2+])NCc1cccc(OC)c1O ZINC000264286320 536304874 /nfs/dbraw/zinc/30/48/74/536304874.db2.gz OXTMVPLLYDMIHX-UHFFFAOYSA-N 1 0 209.249 0.435 20 30 BCEDRO C=C(CC)C[N@@H+]1CC[C@H](S(N)(=O)=O)C1 ZINC000358881624 534398542 /nfs/dbraw/zinc/39/85/42/534398542.db2.gz ZJFGJRJGOPKYBK-VIFPVBQESA-N 1 0 218.322 0.315 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H](CC)Cn1cncn1 ZINC000353354977 534401517 /nfs/dbraw/zinc/40/15/17/534401517.db2.gz RPJKOGSBWIQJJR-RYUDHWBXSA-N 1 0 238.335 0.831 20 30 BCEDRO C=C(Cl)C[N@@H+]1CC[C@H]2C(=O)NC[C@@H]2C1 ZINC000377721072 534440156 /nfs/dbraw/zinc/44/01/56/534440156.db2.gz ISFJZTJKIOVCGD-RKDXNWHRSA-N 1 0 214.696 0.807 20 30 BCEDRO C=CCn1c(C)nnc1N1CC[NH+](CC)CC1 ZINC000350624021 534436551 /nfs/dbraw/zinc/43/65/51/534436551.db2.gz XJEDNUCWAOGXQJ-UHFFFAOYSA-N 1 0 235.335 0.914 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H](C)[NH2+]C1CC1 ZINC000295169971 534444608 /nfs/dbraw/zinc/44/46/08/534444608.db2.gz LGXPSGUGUGOKHF-SSDOTTSWSA-N 1 0 202.685 0.996 20 30 BCEDRO CCCCCCCNC(=O)CN1CC[NH2+]CC1 ZINC000100890532 520054342 /nfs/dbraw/zinc/05/43/42/520054342.db2.gz AHVVVWCDSFXHGZ-UHFFFAOYSA-N 1 0 241.379 0.978 20 30 BCEDRO C=C[C@@H](CO)NC(=O)N[C@@H](C)C[N@@H+](C)C(C)C ZINC000360137840 534525593 /nfs/dbraw/zinc/52/55/93/534525593.db2.gz XQHQUTMRKNKUQP-QWRGUYRKSA-N 1 0 243.351 0.561 20 30 BCEDRO C=C[C@@H](CO)NC(=O)[C@H](C1CC1)[NH+]1CCCC1 ZINC000356856895 534531054 /nfs/dbraw/zinc/53/10/54/534531054.db2.gz DYLJRKKOOBCBRH-RYUDHWBXSA-N 1 0 238.331 0.524 20 30 BCEDRO C=C[C@@H]1CCCC[N@H+]1CCS(=O)(=O)N(C)C ZINC000352421633 534558628 /nfs/dbraw/zinc/55/86/28/534558628.db2.gz MTJQQTILCAOTTA-LLVKDONJSA-N 1 0 246.376 0.918 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1CNC(=[NH2+])NC1CC1 ZINC000263053239 534582665 /nfs/dbraw/zinc/58/26/65/534582665.db2.gz LDHACRAUHOCSRT-WPRPVWTQSA-N 1 0 209.293 0.644 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCC1CC[NH+](C)CC1 ZINC000353690333 534624809 /nfs/dbraw/zinc/62/48/09/534624809.db2.gz HJCMMNGIYXMCAD-CYBMUJFWSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NCCNc1cc[nH+]cc1 ZINC000353037952 534626853 /nfs/dbraw/zinc/62/68/53/534626853.db2.gz BOOJCTVJVMPROI-CYBMUJFWSA-N 1 0 249.314 0.359 20 30 BCEDRO C=C[C@@](C)(O)CC(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000352951150 534627265 /nfs/dbraw/zinc/62/72/65/534627265.db2.gz ZZZTYCVUNXPBLW-WCQYABFASA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@H](C)NC(=O)CCN1CC[NH+](CC)CC1 ZINC000362610305 534634421 /nfs/dbraw/zinc/63/44/21/534634421.db2.gz CMAOJQNWUYBGQD-LBPRGKRZSA-N 1 0 239.363 0.705 20 30 BCEDRO C=CCCCC(=O)NC[C@@H]1C[N@@H+](C)CCN1C ZINC000359130748 534659975 /nfs/dbraw/zinc/65/99/75/534659975.db2.gz YMJFRAYNWUIYAJ-GFCCVEGCSA-N 1 0 239.363 0.705 20 30 BCEDRO CC#CCN(C)C(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000335611553 534706236 /nfs/dbraw/zinc/70/62/36/534706236.db2.gz HHMYMNFHUXMKNT-WDEREUQCSA-N 1 0 223.320 0.649 20 30 BCEDRO C=CCCC[N@@H+]1CC[C@@H]2C(=O)NC(=O)[C@@H]2C1 ZINC000366331683 534718815 /nfs/dbraw/zinc/71/88/15/534718815.db2.gz OURLRZPULKWLEK-VHSXEESVSA-N 1 0 222.288 0.547 20 30 BCEDRO C[C@H](C[NH3+])NS(=O)(=O)c1ccc(C#N)cc1 ZINC000082578362 524310552 /nfs/dbraw/zinc/31/05/52/524310552.db2.gz AOPPLYLDVDUOMX-MRVPVSSYSA-N 1 0 239.300 0.184 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@](C)(C[NH3+])C1 ZINC000261571714 534785453 /nfs/dbraw/zinc/78/54/53/534785453.db2.gz HTJNFBZNBRKOAR-JTQLQIEISA-N 1 0 232.349 0.563 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@](C)(C[NH3+])C1 ZINC000261571716 534785480 /nfs/dbraw/zinc/78/54/80/534785480.db2.gz HTJNFBZNBRKOAR-SNVBAGLBSA-N 1 0 232.349 0.563 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]2C[NH2+]C[C@H]2C1 ZINC000335324817 534785652 /nfs/dbraw/zinc/78/56/52/534785652.db2.gz CNPITSDDJOIABY-MNOVXSKESA-N 1 0 244.360 0.434 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@H]2CC[NH2+][C@H]2C1 ZINC000373884896 534785763 /nfs/dbraw/zinc/78/57/63/534785763.db2.gz FNZOTPWDBTUJKR-MNOVXSKESA-N 1 0 244.360 0.576 20 30 BCEDRO C=CCC[C@@H](O)C[NH2+][C@H](CO)C1CCOCC1 ZINC000359880575 534800378 /nfs/dbraw/zinc/80/03/78/534800378.db2.gz VTYYQGLNYIVDHW-CHWSQXEVSA-N 1 0 243.347 0.691 20 30 BCEDRO C=CC[NH+](CC=C)C[C@](C)(O)C(=O)OC ZINC000070714637 534829342 /nfs/dbraw/zinc/82/93/42/534829342.db2.gz DYPZHKCOXBPQFE-NSHDSACASA-N 1 0 213.277 0.584 20 30 BCEDRO C=CCNC(=[NH2+])NCC1(O)CCCCC1 ZINC000261697513 534845131 /nfs/dbraw/zinc/84/51/31/534845131.db2.gz CDCOAIXTBBTGCQ-UHFFFAOYSA-N 1 0 211.309 0.772 20 30 BCEDRO C=CCNC(=[NH2+])NC[C@@H]1CC(=O)N(C2CC2)C1 ZINC000262512722 534845492 /nfs/dbraw/zinc/84/54/92/534845492.db2.gz BSVLMDBMGWNBQO-VIFPVBQESA-N 1 0 236.319 0.088 20 30 BCEDRO C=CCN1CC[NH2+]C[C@H]1c1nccn1C ZINC000261539987 534849865 /nfs/dbraw/zinc/84/98/65/534849865.db2.gz DKWKUWGCTAIFNM-JTQLQIEISA-N 1 0 206.293 0.552 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H](CC)[C@@H]1CCOC1 ZINC000134402494 534859676 /nfs/dbraw/zinc/85/96/76/534859676.db2.gz YPAXVAYUWHQSRU-GHMZBOCLSA-N 1 0 226.320 0.693 20 30 BCEDRO C=CCNC(=O)C[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000249066706 534856660 /nfs/dbraw/zinc/85/66/60/534856660.db2.gz QJPVUSMSSHUCMC-JGPRNRPPSA-N 1 0 226.320 0.522 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CCC[C@H](C#N)C1 ZINC000185880200 534859240 /nfs/dbraw/zinc/85/92/40/534859240.db2.gz SEHKDRABLQAKPJ-QWRGUYRKSA-N 1 0 221.304 0.961 20 30 BCEDRO C=CCOCC(=O)N1CC[N@@H+](C)CC[C@@H]1C ZINC000354006075 534868535 /nfs/dbraw/zinc/86/85/35/534868535.db2.gz KKCOIEMWCKVPCP-NSHDSACASA-N 1 0 226.320 0.742 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H](C)C[C@H]1C[NH3+] ZINC000261857181 534869185 /nfs/dbraw/zinc/86/91/85/534869185.db2.gz RCDDOPWTWUOTRY-MNOVXSKESA-N 1 0 226.320 0.775 20 30 BCEDRO C=CCOCC(=O)NCC[N@@H+](CC)C1CC1 ZINC000354900731 534869997 /nfs/dbraw/zinc/86/99/97/534869997.db2.gz MPRNXBGZHSOWQS-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CCOCC(=O)N[C@H]1[C@@H](C)[NH2+]CC[C@@H]1C ZINC000357313413 534870623 /nfs/dbraw/zinc/87/06/23/534870623.db2.gz XIWYMYJZWYQELX-HOSYDEDBSA-N 1 0 226.320 0.692 20 30 BCEDRO C=CCOCC[N@@H+](CC)[C@@H]1CCNC1=O ZINC000294074918 534876998 /nfs/dbraw/zinc/87/69/98/534876998.db2.gz KXNVZLXQLRIZJV-SNVBAGLBSA-N 1 0 212.293 0.399 20 30 BCEDRO C=CCOCCC[N@@H+](C)[C@@H]1COC[C@H]1O ZINC000352804074 534874314 /nfs/dbraw/zinc/87/43/14/534874314.db2.gz ZJLLPWCRFAMASN-GHMZBOCLSA-N 1 0 215.293 0.271 20 30 BCEDRO C=CCOCCC[N@@H+](C)[C@H]1COC[C@@H]1O ZINC000352804076 534874340 /nfs/dbraw/zinc/87/43/40/534874340.db2.gz ZJLLPWCRFAMASN-QWRGUYRKSA-N 1 0 215.293 0.271 20 30 BCEDRO C=CCOCCC[NH2+][C@H](CO)C1CCOCC1 ZINC000348046008 534875376 /nfs/dbraw/zinc/87/53/76/534875376.db2.gz DAZYPOCBBOUPFI-CYBMUJFWSA-N 1 0 243.347 0.956 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@@](F)(CO)C1 ZINC000339172899 534878900 /nfs/dbraw/zinc/87/89/00/534878900.db2.gz BWBKFQBOMNHWTK-JTQLQIEISA-N 1 0 203.257 0.595 20 30 BCEDRO C=CCOCC[N@H+]1CC[C@H](C(=O)OC)C1 ZINC000292946168 534879047 /nfs/dbraw/zinc/87/90/47/534879047.db2.gz BIBCEGSAZXOHOW-JTQLQIEISA-N 1 0 213.277 0.684 20 30 BCEDRO C=CC[N@@H+](CCO)CCNC(=O)OC(C)(C)C ZINC000495411582 526274905 /nfs/dbraw/zinc/27/49/05/526274905.db2.gz FHBXBBOUARIHQH-UHFFFAOYSA-N 1 0 244.335 0.991 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1C[C@H](OC)C12CCC2 ZINC000308346660 526573810 /nfs/dbraw/zinc/57/38/10/526573810.db2.gz PPTDWBFJHOUCGW-MNOVXSKESA-N 1 0 238.331 0.836 20 30 BCEDRO C#CCN(C(=O)NC[C@H]([NH3+])C1CC1)C1CC1 ZINC000491307426 526769265 /nfs/dbraw/zinc/76/92/65/526769265.db2.gz QHTTVDKEJKBEHZ-NSHDSACASA-N 1 0 221.304 0.531 20 30 BCEDRO C#CCN(C(=O)N[C@H](C)[C@@H](C)[NH3+])C1CC1 ZINC000491730731 526773305 /nfs/dbraw/zinc/77/33/05/526773305.db2.gz DVPOYNODDZZFPX-RKDXNWHRSA-N 1 0 209.293 0.529 20 30 BCEDRO C#CCN(C)C(=O)NCC[C@@H]1CCC[NH2+]C1 ZINC000491728588 526791788 /nfs/dbraw/zinc/79/17/88/526791788.db2.gz HNGKMDUHSBFKBP-NSHDSACASA-N 1 0 223.320 0.651 20 30 BCEDRO C#CC[N@H+](C)CCCNc1ncnc2nc[nH]c21 ZINC000292640271 526829378 /nfs/dbraw/zinc/82/93/78/526829378.db2.gz AVKKVOCJGVAURZ-UHFFFAOYSA-N 1 0 244.302 0.720 20 30 BCEDRO C#CCN(CC#CC)C(=O)C[NH+](CC)CC ZINC000490740036 526853260 /nfs/dbraw/zinc/85/32/60/526853260.db2.gz IHPSMEUIYHCEGN-UHFFFAOYSA-N 1 0 220.316 0.813 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@H](C)[NH+](C)C ZINC000491773002 526855714 /nfs/dbraw/zinc/85/57/14/526855714.db2.gz AUUIVHVYJMAIOB-LBPRGKRZSA-N 1 0 235.331 0.605 20 30 BCEDRO C#CCN(CC#CC)C(=O)NC[C@@H]1CCC[N@@H+]1C ZINC000490674987 526856193 /nfs/dbraw/zinc/85/61/93/526856193.db2.gz DFSYQYWZYXKWDW-ZDUSSCGKSA-N 1 0 247.342 0.749 20 30 BCEDRO C#CC[N@@H+](CCCN1C(=O)CNC1=O)C1CC1 ZINC000491712584 526901103 /nfs/dbraw/zinc/90/11/03/526901103.db2.gz XOAVRROONYGHCJ-UHFFFAOYSA-N 1 0 235.287 0.026 20 30 BCEDRO COCCC[N@H+](C)CCC(=O)N(C)CCC#N ZINC000062031462 536497814 /nfs/dbraw/zinc/49/78/14/536497814.db2.gz GDBHSGNRIYRCDG-UHFFFAOYSA-N 1 0 241.335 0.717 20 30 BCEDRO C#CCN1C(=O)C[C@H]([NH2+]C(C)(C)C)C1=O ZINC000491773342 526914526 /nfs/dbraw/zinc/91/45/26/526914526.db2.gz VOPGINYVRZIKDY-QMMMGPOBSA-N 1 0 208.261 0.135 20 30 BCEDRO C#CCN1CCN(C(=O)C[N@@H+](CC)C2CC2)CC1 ZINC000173193119 526948452 /nfs/dbraw/zinc/94/84/52/526948452.db2.gz ZPBBZGPSEASLAD-UHFFFAOYSA-N 1 0 249.358 0.248 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC[C@@H](C)CCO ZINC000491483329 526981843 /nfs/dbraw/zinc/98/18/43/526981843.db2.gz BBDKYWDLWVUWDN-LLVKDONJSA-N 1 0 226.320 0.124 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H](CO)C(C)(C)C ZINC000491066059 526973659 /nfs/dbraw/zinc/97/36/59/526973659.db2.gz BGIJDBOXHIFTNY-NSHDSACASA-N 1 0 240.347 0.465 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)[C@@H]1CC1(C)C ZINC000491536251 526974205 /nfs/dbraw/zinc/97/42/05/526974205.db2.gz IUNOZNOERORPFZ-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CCNC(=O)CC[N@@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000491067280 526974648 /nfs/dbraw/zinc/97/46/48/526974648.db2.gz HLEYMELXIXCMSX-RYUDHWBXSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCCO[C@@H](CC)C1 ZINC000491066560 526976853 /nfs/dbraw/zinc/97/68/53/526976853.db2.gz DNKYDFQFMJIFRW-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCC[C@H](O)C1 ZINC000491646212 526983364 /nfs/dbraw/zinc/98/33/64/526983364.db2.gz RUEKHNBKFPLHSM-RYUDHWBXSA-N 1 0 238.331 0.267 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1CCCCO1 ZINC000491787310 526984129 /nfs/dbraw/zinc/98/41/29/526984129.db2.gz VWGLMAXLFVAZCW-LLVKDONJSA-N 1 0 224.304 0.285 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CC[C@@H](CC#N)C1 ZINC000491395628 526988479 /nfs/dbraw/zinc/98/84/79/526988479.db2.gz UDVXJKJNEHKZQC-RYUDHWBXSA-N 1 0 233.315 0.798 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@H+](C)C[C@@H]1CCC[C@@H]1O ZINC000305296648 527024361 /nfs/dbraw/zinc/02/43/61/527024361.db2.gz GOJROSZOWYKXKM-SRVKXCTJSA-N 1 0 238.331 0.217 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@@H]1CCC(=O)NC1(C)C ZINC000495090450 527188888 /nfs/dbraw/zinc/18/88/88/527188888.db2.gz IARKLLLZEUCUJJ-WDEREUQCSA-N 1 0 240.347 0.818 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1CCC(=O)NC1(C)C ZINC000495090449 527190413 /nfs/dbraw/zinc/19/04/13/527190413.db2.gz IARKLLLZEUCUJJ-QWRGUYRKSA-N 1 0 240.347 0.818 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@@H](O)Cn1cccn1 ZINC000491325973 527214056 /nfs/dbraw/zinc/21/40/56/527214056.db2.gz IVXFQOGGPAJRQW-GHMZBOCLSA-N 1 0 207.277 0.198 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@H]1CCN(S(C)(=O)=O)C1 ZINC000491048103 527214495 /nfs/dbraw/zinc/21/44/95/527214495.db2.gz WXIWFHXGIJVHNV-GHMZBOCLSA-N 1 0 244.360 0.221 20 30 BCEDRO C#C[C@@H](NC(=O)NCCC[NH2+]CC)C(C)C ZINC000491555156 527276393 /nfs/dbraw/zinc/27/63/93/527276393.db2.gz PCXAHMASDYXFBW-LLVKDONJSA-N 1 0 225.336 0.943 20 30 BCEDRO C#C[C@H](C)[N@H+](C)CCn1cc([N+](=O)[O-])cn1 ZINC000491252589 527332055 /nfs/dbraw/zinc/33/20/55/527332055.db2.gz IRCZXJSUBAPUAJ-VIFPVBQESA-N 1 0 222.248 0.745 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@H]([NH3+])C1CC1 ZINC000491729127 527369799 /nfs/dbraw/zinc/36/97/99/527369799.db2.gz MXKLZUZQZVMRCM-MNOVXSKESA-N 1 0 223.320 0.825 20 30 BCEDRO C#C[C@H](NC(=O)N1C[C@H]2C[NH2+]C[C@H]2C1)C(C)C ZINC000491818604 527389852 /nfs/dbraw/zinc/38/98/52/527389852.db2.gz LYEAYDJWFCLNDQ-TUAOUCFPSA-N 1 0 235.331 0.505 20 30 BCEDRO C#C[C@H](NC(=O)NC[C@@H]1CCC[NH2+]1)C(C)C ZINC000491338414 527393300 /nfs/dbraw/zinc/39/33/00/527393300.db2.gz IFGIJGDRZIZZQX-QWRGUYRKSA-N 1 0 223.320 0.695 20 30 BCEDRO C=CCCS(=O)(=O)NCCC[NH+](C)C ZINC000489078202 527413081 /nfs/dbraw/zinc/41/30/81/527413081.db2.gz QPIADDGWLDAKLA-UHFFFAOYSA-N 1 0 220.338 0.434 20 30 BCEDRO C=C[C@H](C)NC(=O)NCCCN1CC[NH2+]CC1 ZINC000418294000 527560605 /nfs/dbraw/zinc/56/06/05/527560605.db2.gz FQKFSAQEANURAX-NSHDSACASA-N 1 0 240.351 0.155 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCS1 ZINC000262427109 536520024 /nfs/dbraw/zinc/52/00/24/536520024.db2.gz RTZBYLLPYVZZIE-BDAKNGLRSA-N 1 0 231.365 0.821 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccn(C)c1 ZINC000267296741 536520355 /nfs/dbraw/zinc/52/03/55/536520355.db2.gz KHWCUQBEUYWCCA-SECBINFHSA-N 1 0 224.308 0.464 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ccccc1O ZINC000264115311 536520763 /nfs/dbraw/zinc/52/07/63/536520763.db2.gz PRROIZSSUYWYQP-SECBINFHSA-N 1 0 237.303 0.831 20 30 BCEDRO C#CCSCC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000892582352 582920810 /nfs/dbraw/zinc/92/08/10/582920810.db2.gz CXVHPIJSSLCDAK-PHIMTYICSA-N 1 0 240.372 0.809 20 30 BCEDRO CC[C@H](CC#N)NC(=O)[C@@H]1C[N@H+](C)C[C@@H]1C ZINC000487117893 529299384 /nfs/dbraw/zinc/29/93/84/529299384.db2.gz AESKNRXOAJURLS-HBNTYKKESA-N 1 0 223.320 0.993 20 30 BCEDRO CC1(C)NC(=O)CC[C@H]1[NH2+]CC1(C#N)CC1 ZINC000335606870 534971665 /nfs/dbraw/zinc/97/16/65/534971665.db2.gz ZWBZCODOFPOEFB-SECBINFHSA-N 1 0 221.304 0.937 20 30 BCEDRO CC(C)NC(=[NH2+])NC[C@@]1(N(C)C)CCSC1 ZINC000262487125 535125055 /nfs/dbraw/zinc/12/50/55/535125055.db2.gz SUHLSORCTSIYBC-NSHDSACASA-N 1 0 244.408 0.736 20 30 BCEDRO CC(C)(C)c1nnc(CNC(=[NH2+])N2CCC2)[nH]1 ZINC000263065516 535160863 /nfs/dbraw/zinc/16/08/63/535160863.db2.gz GCOQLWLGBWLVQZ-UHFFFAOYSA-N 1 0 236.323 0.623 20 30 BCEDRO CC[NH+]=C(NCCN1CCC1)NC1CC1 ZINC000261791836 535261844 /nfs/dbraw/zinc/26/18/44/535261844.db2.gz LAJBIFXQYKEICB-UHFFFAOYSA-N 1 0 210.325 0.410 20 30 BCEDRO CCCCNC(=[NH2+])NC[C@H]1CN(C)CCO1 ZINC000303970207 535261881 /nfs/dbraw/zinc/26/18/81/535261881.db2.gz CKHMJFSAJQXOSA-JTQLQIEISA-N 1 0 228.340 0.021 20 30 BCEDRO CCCCNC(=[NH2+])NCc1ccc(C(N)=O)cc1 ZINC000264056886 535262070 /nfs/dbraw/zinc/26/20/70/535262070.db2.gz BKCMKXJGSMAFQF-UHFFFAOYSA-N 1 0 248.330 0.990 20 30 BCEDRO CC(C)C(N)=[NH+]OC[C@H]1CNC(=O)O1 ZINC000282290343 535338217 /nfs/dbraw/zinc/33/82/17/535338217.db2.gz QKVQQADFMGUVLF-ZCFIWIBFSA-N 1 0 201.226 0.040 20 30 BCEDRO CCN(CC)C(=[NH2+])N[C@@H]1C[C@H](O)C1(C)C ZINC000262465469 535390659 /nfs/dbraw/zinc/39/06/59/535390659.db2.gz XSLANWBKKQLXPS-BDAKNGLRSA-N 1 0 213.325 0.802 20 30 BCEDRO CC[NH+]1CCC(NC(=O)[C@@H](C)C#N)CC1 ZINC000345820584 535472996 /nfs/dbraw/zinc/47/29/96/535472996.db2.gz URBKCZNYGVMBPR-VIFPVBQESA-N 1 0 209.293 0.747 20 30 BCEDRO CC[N@@H+]1CCCN(C(=O)NC[C@H](C)C#N)CC1 ZINC000335323936 535513170 /nfs/dbraw/zinc/51/31/70/535513170.db2.gz KWEOLJHKUKFJKK-LLVKDONJSA-N 1 0 238.335 0.883 20 30 BCEDRO CC[N@@H+]1CCC[C@@H](NS(=O)(=O)[C@H](C)C#N)C1 ZINC000250188619 535539711 /nfs/dbraw/zinc/53/97/11/535539711.db2.gz ABOVDSSCWIIVIH-NXEZZACHSA-N 1 0 245.348 0.302 20 30 BCEDRO CCC[C@H](C(=O)N1CC(O)(CC#N)C1)[NH+](C)C ZINC000332076934 535576373 /nfs/dbraw/zinc/57/63/73/535576373.db2.gz XHGBTZBGPHHSNI-SNVBAGLBSA-N 1 0 239.319 0.204 20 30 BCEDRO CCOCc1ccc(CNC(N)=[NH2+])cc1 ZINC000264114660 535713999 /nfs/dbraw/zinc/71/39/99/535713999.db2.gz RYTSBIWSOIVFSB-UHFFFAOYSA-N 1 0 207.277 0.997 20 30 BCEDRO CC[N@H+](CCNS(=O)(=O)[C@@H](C)C#N)C1CC1 ZINC000218105849 535740331 /nfs/dbraw/zinc/74/03/31/535740331.db2.gz DVJJDWQDMMQIAB-VIFPVBQESA-N 1 0 245.348 0.302 20 30 BCEDRO CC[C@](C)(O)CNC(=[NH2+])N1CCO[C@@H](C)C1 ZINC000262424677 535841344 /nfs/dbraw/zinc/84/13/44/535841344.db2.gz CEQQJBPLXYGWSY-ONGXEEELSA-N 1 0 229.324 0.183 20 30 BCEDRO C[NH+](C)C[C@@](C)(O)CNC(=O)CCCC#N ZINC000360359507 535950255 /nfs/dbraw/zinc/95/02/55/535950255.db2.gz AFIBHNGWZARKFO-NSHDSACASA-N 1 0 227.308 0.109 20 30 BCEDRO CC[C@@](C)(CNC(=[NH2+])N1CCO[C@@H](C)C1)OC ZINC000263215690 535974369 /nfs/dbraw/zinc/97/43/69/535974369.db2.gz ZZUDLBXRMBCNDP-JQWIXIFHSA-N 1 0 243.351 0.837 20 30 BCEDRO CN(C)C1(CNC(=[NH2+])N(C)C2CC2)CC1 ZINC000263186594 536110848 /nfs/dbraw/zinc/11/08/48/536110848.db2.gz UXKHURWXAMLBIO-UHFFFAOYSA-N 1 0 210.325 0.490 20 30 BCEDRO CNC(=[NH2+])NCc1nccn1C(F)F ZINC000261901636 536305080 /nfs/dbraw/zinc/30/50/80/536305080.db2.gz WBRVPWGXCFGVLD-UHFFFAOYSA-N 1 0 203.196 0.312 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@H+](C)CCCO ZINC000304167740 536356960 /nfs/dbraw/zinc/35/69/60/536356960.db2.gz FLEBURFLSINGKH-UHFFFAOYSA-N 1 0 227.308 0.063 20 30 BCEDRO COC(=O)[C@H](C)CNC(=[NH2+])N1CCC[C@H](C)C1 ZINC000261982205 536590375 /nfs/dbraw/zinc/59/03/75/536590375.db2.gz IMQJLWXHGQRLNG-VHSXEESVSA-N 1 0 241.335 0.842 20 30 BCEDRO COC1(C[NH2+]CCn2cnc(C#N)n2)CCCC1 ZINC000353041944 536676865 /nfs/dbraw/zinc/67/68/65/536676865.db2.gz ZABSNGXSOARVHP-UHFFFAOYSA-N 1 0 249.318 0.699 20 30 BCEDRO COCCNC(=[NH2+])N[C@@H]1[C@H](C)[C@H](OC)C1(C)C ZINC000263190208 536852747 /nfs/dbraw/zinc/85/27/47/536852747.db2.gz YDNNMLXMIXYFEK-AEJSXWLSSA-N 1 0 243.351 0.597 20 30 BCEDRO COc1cccc(CNC(=[NH2+])NC2CC2)c1O ZINC000264294315 537097058 /nfs/dbraw/zinc/09/70/58/537097058.db2.gz QJEKHQYXIUYOCL-UHFFFAOYSA-N 1 0 235.287 0.968 20 30 BCEDRO CC[S@](=O)CC[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000857234684 583135947 /nfs/dbraw/zinc/13/59/47/583135947.db2.gz SVLVDNYSXUZOJV-QFYYESIMSA-N 1 0 246.376 0.645 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)CC)C1CCOCC1 ZINC000853116036 588721632 /nfs/dbraw/zinc/72/16/32/588721632.db2.gz PDDGYODVONZTFN-NWDGAFQWSA-N 1 0 211.305 0.775 20 30 BCEDRO C#Cc1cccnc1N1CCC[N@@H+](CCO)CC1 ZINC000853272088 588730260 /nfs/dbraw/zinc/73/02/60/588730260.db2.gz NNKDNGJHHYSKIM-UHFFFAOYSA-N 1 0 245.326 0.567 20 30 BCEDRO C[C@@H](CO)NN=Cc1ccnn1-c1cc[nH+]cc1 ZINC000853313165 588732159 /nfs/dbraw/zinc/73/21/59/588732159.db2.gz AJBRJJHEGVGAIJ-JTQLQIEISA-N 1 0 245.286 0.572 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2CCCn3nccc32)N1 ZINC000853329954 588733552 /nfs/dbraw/zinc/73/35/52/588733552.db2.gz HKHWYYNEORTPSV-MRVPVSSYSA-N 1 0 232.291 0.318 20 30 BCEDRO Cc1nc(C=NNC2=[NH+]C[C@@H](C)N2)[nH]c1C ZINC000853330493 588733555 /nfs/dbraw/zinc/73/35/55/588733555.db2.gz NYMZZAYDWRTOHT-ZCFIWIBFSA-N 1 0 220.280 0.298 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnn3c2CCC3)N1 ZINC000853329887 588733580 /nfs/dbraw/zinc/73/35/80/588733580.db2.gz GLSMTNTWPSJUPK-QMMMGPOBSA-N 1 0 232.291 0.101 20 30 BCEDRO CCCn1nccc1C=NNC1=[NH+]CCN1 ZINC000853357711 588737881 /nfs/dbraw/zinc/73/78/81/588737881.db2.gz JXGYMYKCYZCAPL-UHFFFAOYSA-N 1 0 220.280 0.176 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)NC[C@H](O)CC ZINC000854094598 588774576 /nfs/dbraw/zinc/77/45/76/588774576.db2.gz XHWGKPQFHCCKAG-LLVKDONJSA-N 1 0 241.335 0.012 20 30 BCEDRO NC(C[NH+]1CCCCCC1)=NOCCO ZINC000111997833 588778064 /nfs/dbraw/zinc/77/80/64/588778064.db2.gz MIGWKKJGBKCBQM-UHFFFAOYSA-N 1 0 215.297 0.144 20 30 BCEDRO C#CC[C@@H](CO)NC(=O)[C@H](C(C)C)[NH+](C)C ZINC000854545639 588792822 /nfs/dbraw/zinc/79/28/22/588792822.db2.gz MZCSUYWXGOBUFD-QWRGUYRKSA-N 1 0 226.320 0.073 20 30 BCEDRO C#CC(=O)N1CCC([N@H+]2CCOC[C@@H]2C)CC1 ZINC000854568169 588794861 /nfs/dbraw/zinc/79/48/61/588794861.db2.gz IPXVYEIPYQPPOS-NSHDSACASA-N 1 0 236.315 0.331 20 30 BCEDRO CC(C)C#CC(=O)NC[C@H](C)C[NH+](C)C ZINC000854596324 588796221 /nfs/dbraw/zinc/79/62/21/588796221.db2.gz HNZWXSZEMCIQRE-NSHDSACASA-N 1 0 210.321 0.960 20 30 BCEDRO CC#CC(=O)N1CCOC[C@H]1[C@H]1CCC[N@@H+]1C ZINC000854642391 588798942 /nfs/dbraw/zinc/79/89/42/588798942.db2.gz LNKCXLRUEPEUBO-NEPJUHHUSA-N 1 0 236.315 0.331 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@@H]([NH+](C)C)[C@H]1C ZINC000854655328 588799568 /nfs/dbraw/zinc/79/95/68/588799568.db2.gz PCHAJOKKGQMTIE-NXEZZACHSA-N 1 0 212.293 0.086 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1ncccc1F ZINC000854664410 588800025 /nfs/dbraw/zinc/80/00/25/588800025.db2.gz SVKYBYQJEUICOG-UHFFFAOYSA-N 1 0 249.289 0.906 20 30 BCEDRO C#C[C@](C)(CC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000854697745 588802928 /nfs/dbraw/zinc/80/29/28/588802928.db2.gz KKQUJMGMXAFRID-CMPLNLGQSA-N 1 0 208.305 0.999 20 30 BCEDRO C#C[C@H](CO)NC(=O)[C@H](CC)[NH+](CC)CC ZINC000854770099 588805982 /nfs/dbraw/zinc/80/59/82/588805982.db2.gz AJJMVXWAKZSHFZ-MNOVXSKESA-N 1 0 226.320 0.217 20 30 BCEDRO C[NH+](C)CCONC(=O)CC(C)(C)C#N ZINC000854945021 588817487 /nfs/dbraw/zinc/81/74/87/588817487.db2.gz GUFCIRVUEDFZJN-UHFFFAOYSA-N 1 0 213.281 0.536 20 30 BCEDRO C[NH+](C)CCONC(=O)c1ccc(C#N)[nH]1 ZINC000854945857 588818050 /nfs/dbraw/zinc/81/80/50/588818050.db2.gz SGASAZRBVHMYAJ-UHFFFAOYSA-N 1 0 222.248 0.109 20 30 BCEDRO C#C[C@@H]1CCCN(C(=O)C2([NH+](C)C)CC2)C1 ZINC000855047790 588821699 /nfs/dbraw/zinc/82/16/99/588821699.db2.gz IZUNUYAAJZCQBR-LLVKDONJSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CC1(O)CN(C(=O)[C@@H](C)[NH2+]C(C)(C)CC)C1 ZINC000890524985 582465129 /nfs/dbraw/zinc/46/51/29/582465129.db2.gz XSDBVNKCBMBGPY-SNVBAGLBSA-N 1 0 238.331 0.360 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)C1(COC)CC1 ZINC000855338267 588828479 /nfs/dbraw/zinc/82/84/79/588828479.db2.gz DKJOXPHMZGRKTJ-UHFFFAOYSA-N 1 0 226.320 0.742 20 30 BCEDRO C=CC[C@@H]1CCN1C(=O)[C@]1(C)C[C@@H](O)C[N@H+]1C ZINC000890548270 582470421 /nfs/dbraw/zinc/47/04/21/582470421.db2.gz OQLQNBBYMJTGKL-WZRBSPASSA-N 1 0 238.331 0.619 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(CC)[C@@H]1CC[N@H+](C)C1 ZINC000855361695 588829029 /nfs/dbraw/zinc/82/90/29/588829029.db2.gz HBACUEJHLRRMBY-VXGBXAGGSA-N 1 0 238.331 0.577 20 30 BCEDRO CON=CC(=O)NCC[C@H](C)[NH+](C)C ZINC000855417886 588832210 /nfs/dbraw/zinc/83/22/10/588832210.db2.gz QXJQAYWZFZIYCG-QMMMGPOBSA-N 1 0 201.270 0.075 20 30 BCEDRO CC#CC(=O)N(CC)[C@H]1CC[N@H+](CC)C1 ZINC000855491384 588838158 /nfs/dbraw/zinc/83/81/58/588838158.db2.gz QIQLZUCYLDOVRA-NSHDSACASA-N 1 0 208.305 0.952 20 30 BCEDRO C[C@H](C(=O)NCC#C[C@@H]1CCCCO1)[NH+](C)C ZINC000891107918 582611540 /nfs/dbraw/zinc/61/15/40/582611540.db2.gz VWQTUWJHFVTGFZ-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO C=C[C@H](C)ONC(=O)NC[C@@](C)(O)C[NH+](C)C ZINC000845627030 582620834 /nfs/dbraw/zinc/62/08/34/582620834.db2.gz MSYADYRPUUOXIW-GXSJLCMTSA-N 1 0 245.323 0.104 20 30 BCEDRO C=CC(C)(C)NC(=O)[C@@H]1C[N@@H+]2CCN1CCC2 ZINC000891269312 582649420 /nfs/dbraw/zinc/64/94/20/582649420.db2.gz HAAVVCXPZJBZJJ-NSHDSACASA-N 1 0 237.347 0.457 20 30 BCEDRO C#CCONC(=O)CCCC[NH+]1CCCC1 ZINC000855602596 588841450 /nfs/dbraw/zinc/84/14/50/588841450.db2.gz DAXGAAWFLWMEDU-UHFFFAOYSA-N 1 0 224.304 0.934 20 30 BCEDRO C#CCO[C@H](C)C(=O)N(C)CC1C[NH+](C)C1 ZINC000855640856 588843114 /nfs/dbraw/zinc/84/31/14/588843114.db2.gz DQMPNWWRHWCBLQ-SNVBAGLBSA-N 1 0 224.304 0.045 20 30 BCEDRO C=CCNC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000891438113 582684953 /nfs/dbraw/zinc/68/49/53/582684953.db2.gz FUFIWEQNYJHHDC-JTQLQIEISA-N 1 0 211.309 0.813 20 30 BCEDRO C=CCCOCCNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000891717839 582714314 /nfs/dbraw/zinc/71/43/14/582714314.db2.gz DKTXXPLKEJRPOB-PHIMTYICSA-N 1 0 241.335 0.616 20 30 BCEDRO C#CCOCCNC(=O)N(CC)[C@@H]1CC[NH2+]C1 ZINC000891774267 582718719 /nfs/dbraw/zinc/71/87/19/582718719.db2.gz GQNGBHWMUGCWEU-LLVKDONJSA-N 1 0 239.319 0.030 20 30 BCEDRO C#CCCCNC(=O)N(CC)[C@H]1CC[NH2+]C1 ZINC000891849122 582729855 /nfs/dbraw/zinc/72/98/55/582729855.db2.gz UZONJTYXWVMHMK-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO COCc1ccc(C=NNC2=[NH+]C[C@H](C)N2)o1 ZINC000779801821 582735110 /nfs/dbraw/zinc/73/51/10/582735110.db2.gz YIOCRIMHMCWJLG-QMMMGPOBSA-N 1 0 236.275 0.697 20 30 BCEDRO C#CCSCC(=O)N(C)C[C@H]1CCC[N@@H+]1C ZINC000891906989 582736237 /nfs/dbraw/zinc/73/62/37/582736237.db2.gz PNDCZICVUVUBHT-LLVKDONJSA-N 1 0 240.372 0.905 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H]2COC[C@]2(C)C1 ZINC000855834884 588849619 /nfs/dbraw/zinc/84/96/19/588849619.db2.gz DFLWLRAHFCQFDY-YPMHNXCESA-N 1 0 238.331 0.599 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@H](CO)CC1CC1 ZINC000855914403 588853744 /nfs/dbraw/zinc/85/37/44/588853744.db2.gz SNUDTOOHOOZNGP-GFCCVEGCSA-N 1 0 240.347 0.629 20 30 BCEDRO C[C@H](CNC1=[NH+]C[C@H](C)N1)Cn1cccn1 ZINC000848994733 582820359 /nfs/dbraw/zinc/82/03/59/582820359.db2.gz ZZLRJBMSEQSXDD-ZJUUUORDSA-N 1 0 221.308 0.457 20 30 BCEDRO C[NH+]=C(NCC(C)(C)OCCO)NC1CC1 ZINC000849028293 582831467 /nfs/dbraw/zinc/83/14/67/582831467.db2.gz OQBVLYXOYSHIOB-UHFFFAOYSA-N 1 0 229.324 0.101 20 30 BCEDRO C[NH+]=C(NC[C@@H](C)CCCO)NC1CC1 ZINC000849035728 582837482 /nfs/dbraw/zinc/83/74/82/582837482.db2.gz HFNJCULZJDYAAX-VIFPVBQESA-N 1 0 213.325 0.722 20 30 BCEDRO C[NH+]=C(N[C@@H](CO)CCF)NC1CC1 ZINC000849047998 582841717 /nfs/dbraw/zinc/84/17/17/582841717.db2.gz AQRSTZGPVYGTJC-MRVPVSSYSA-N 1 0 203.261 0.034 20 30 BCEDRO CNC(NCc1ccn2ccnc2c1)=[NH+]C ZINC000849214755 582843472 /nfs/dbraw/zinc/84/34/72/582843472.db2.gz MTIRZWOZHWOOKK-UHFFFAOYSA-N 1 0 217.276 0.629 20 30 BCEDRO Cc1cc(N)nc(NC2CCN(CC#N)CC2)[nH+]1 ZINC000892402520 582876842 /nfs/dbraw/zinc/87/68/42/582876842.db2.gz CBICNDGUNAHGFL-UHFFFAOYSA-N 1 0 246.318 0.767 20 30 BCEDRO C#CCN(C)C(=O)N1C2CCC1(C[NH3+])CC2 ZINC000892458103 582892313 /nfs/dbraw/zinc/89/23/13/582892313.db2.gz VDGUFSWTSNGWQH-UHFFFAOYSA-N 1 0 221.304 0.627 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892557842 582912897 /nfs/dbraw/zinc/91/28/97/582912897.db2.gz ATZZFWGCMOPBHJ-LPEHRKFASA-N 1 0 209.293 0.387 20 30 BCEDRO C=C(Cl)CNC(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892560261 582914171 /nfs/dbraw/zinc/91/41/71/582914171.db2.gz QORUIQVTTPDCKF-OCAPTIKFSA-N 1 0 217.700 0.775 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000892561746 582914986 /nfs/dbraw/zinc/91/49/86/582914986.db2.gz QOMLAYYWOPISFK-LPEHRKFASA-N 1 0 224.308 0.525 20 30 BCEDRO C#CCN(CC)C(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892579281 582920159 /nfs/dbraw/zinc/92/01/59/582920159.db2.gz XCKXUVPSBJDAIB-MGCOHNPYSA-N 1 0 209.293 0.388 20 30 BCEDRO C=C(C)[C@@H](CO)Sc1nc(N)cc(N)[nH+]1 ZINC000393734451 582920618 /nfs/dbraw/zinc/92/06/18/582920618.db2.gz VGGZPSCXGYPLHP-ZCFIWIBFSA-N 1 0 226.305 0.500 20 30 BCEDRO C=C[C@H](CO)NC(=O)C1([NH+](C)C)CCC1 ZINC000856275988 588866372 /nfs/dbraw/zinc/86/63/72/588866372.db2.gz KZPQHSDBMNJVQT-SECBINFHSA-N 1 0 212.293 0.134 20 30 BCEDRO C#CCN(C(=O)NCCC(C)(C)[NH3+])C1CC1 ZINC000892850704 582996236 /nfs/dbraw/zinc/99/62/36/582996236.db2.gz LBBFNFWAKNXLSS-UHFFFAOYSA-N 1 0 223.320 0.921 20 30 BCEDRO C#CCCNC(=O)N[C@H]1CC[N@@H+](CCC)C1 ZINC000852107492 583002452 /nfs/dbraw/zinc/00/24/52/583002452.db2.gz LXODYWVRNZFRJW-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCCN(CCOC)C(=O)[C@@H]1CCC[N@@H+]1C ZINC000856388039 588871189 /nfs/dbraw/zinc/87/11/89/588871189.db2.gz HHJLRQJNAWAEDQ-LBPRGKRZSA-N 1 0 238.331 0.579 20 30 BCEDRO C#C[C@@H]1COCCN1CC[C@@H]1COC(C)(C)O1 ZINC000852162863 583008576 /nfs/dbraw/zinc/00/85/76/583008576.db2.gz VHSLVAVTGICBMZ-VXGBXAGGSA-N 1 0 239.315 0.862 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@H](O)c1ccccn1 ZINC000853110460 583028592 /nfs/dbraw/zinc/02/85/92/583028592.db2.gz ZXMWZZFIKMOXTD-PWSUYJOCSA-N 1 0 222.288 0.642 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](C)[C@H](CO)C1 ZINC000856797525 588876027 /nfs/dbraw/zinc/87/60/27/588876027.db2.gz IGLGHPGNKPOUDO-RYUDHWBXSA-N 1 0 211.305 0.587 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+]C[C@H]1COC(C)(C)O1 ZINC000893282734 583084569 /nfs/dbraw/zinc/08/45/69/583084569.db2.gz GNTGFYXPIMUXLW-MNOVXSKESA-N 1 0 229.320 0.912 20 30 BCEDRO C#CCCCNC(=O)N1C[C@H]2C[N@@H+](C)C[C@@]2(C)C1 ZINC000893302132 583094805 /nfs/dbraw/zinc/09/48/05/583094805.db2.gz BIGCPEMKUAULNN-OCCSQVGLSA-N 1 0 249.358 0.993 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)COCCOC ZINC000893568391 583165424 /nfs/dbraw/zinc/16/54/24/583165424.db2.gz UXJDZQYLEBAAMK-WDEREUQCSA-N 1 0 217.309 0.565 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H](C)COCCOC ZINC000893568386 583165490 /nfs/dbraw/zinc/16/54/90/583165490.db2.gz UXJDZQYLEBAAMK-GHMZBOCLSA-N 1 0 217.309 0.565 20 30 BCEDRO C#CCC[C@H](O)CNc1nc(N)cc(C)[nH+]1 ZINC000893674306 583193413 /nfs/dbraw/zinc/19/34/13/583193413.db2.gz ZACZJFXIXFCRGA-VIFPVBQESA-N 1 0 220.276 0.553 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)COC(C)=O)[C@H]1CCCO1 ZINC000893677944 583195188 /nfs/dbraw/zinc/19/51/88/583195188.db2.gz YJOICQIJAUALHW-ADEWGFFLSA-N 1 0 225.288 0.708 20 30 BCEDRO C#C[C@H]([NH2+][C@@H](C)COCCOC)[C@@H]1CCCO1 ZINC000893677214 583195760 /nfs/dbraw/zinc/19/57/60/583195760.db2.gz QVDWUSBDUULHCU-AVGNSLFASA-N 1 0 241.331 0.808 20 30 BCEDRO N#Cc1ccccc1CN(CC[NH3+])CCO ZINC000857083858 588886226 /nfs/dbraw/zinc/88/62/26/588886226.db2.gz JPBLLCQQLCYHDT-UHFFFAOYSA-N 1 0 219.288 0.311 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNC(=O)CSCC#N ZINC000893871719 583237493 /nfs/dbraw/zinc/23/74/93/583237493.db2.gz MNRPGKXNVZDSJH-SECBINFHSA-N 1 0 227.333 0.454 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)CSCC#N ZINC000893871720 583237534 /nfs/dbraw/zinc/23/75/34/583237534.db2.gz MNRPGKXNVZDSJH-VIFPVBQESA-N 1 0 227.333 0.454 20 30 BCEDRO C#C[C@@H](NC(=O)NCC[C@H](C)[NH3+])[C@H]1CCCO1 ZINC000857102225 588887740 /nfs/dbraw/zinc/88/77/40/588887740.db2.gz ZKSFSPFBUXUVLT-HBNTYKKESA-N 1 0 239.319 0.204 20 30 BCEDRO Cc1nc(C#N)cc(N2CC[C@H]3C[N@@H+](C)C[C@H]32)n1 ZINC000893933511 583251748 /nfs/dbraw/zinc/25/17/48/583251748.db2.gz ABEWSXUPAXZVOI-CMPLNLGQSA-N 1 0 243.314 0.797 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(c3ccnc(C#N)n3)[C@@H]2C1 ZINC000893940323 583254635 /nfs/dbraw/zinc/25/46/35/583254635.db2.gz MQAQGKPKULHQPN-NXEZZACHSA-N 1 0 229.287 0.489 20 30 BCEDRO C[N@@H+]1C[C@H]2CCN(c3cc(C#N)ncn3)[C@H]2C1 ZINC000893942173 583256136 /nfs/dbraw/zinc/25/61/36/583256136.db2.gz ZMKMGKBMTDDPTD-KOLCDFICSA-N 1 0 229.287 0.489 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)N1CC[C@](F)(C#N)C1 ZINC000857108924 588888599 /nfs/dbraw/zinc/88/85/99/588888599.db2.gz IQQRLJZCGJONNB-WPRPVWTQSA-N 1 0 228.271 0.371 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H]1[C@H](C(=O)OC)C1(F)F ZINC000893975831 583264512 /nfs/dbraw/zinc/26/45/12/583264512.db2.gz HYKSYFYJQOBVTK-DTWKUNHWSA-N 1 0 231.242 0.996 20 30 BCEDRO C[C@H](C#N)CNC(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000894107569 583307573 /nfs/dbraw/zinc/30/75/73/583307573.db2.gz FSPGZSYUOZHSJQ-GMTAPVOTSA-N 1 0 236.319 0.492 20 30 BCEDRO C[C@@H](C#N)CNC(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000894108429 583308103 /nfs/dbraw/zinc/30/81/03/583308103.db2.gz SUSRHXHZWNHMOW-GARJFASQSA-N 1 0 236.319 0.349 20 30 BCEDRO C=CCNC(=S)NCC[N@@H+](C)C(C)C ZINC000726131390 583339485 /nfs/dbraw/zinc/33/94/85/583339485.db2.gz YJLKRMPIHBHNIN-UHFFFAOYSA-N 1 0 215.366 0.977 20 30 BCEDRO C#CC[C@H]1NC(=O)N(C[C@@H]2CC[N@H+]2CC)C1=O ZINC000877880761 583352433 /nfs/dbraw/zinc/35/24/33/583352433.db2.gz IPNCMTUYQWQNHL-VHSXEESVSA-N 1 0 235.287 0.024 20 30 BCEDRO CC[N@H+](CCC(=O)N(C)OC)C[C@@H](C)C#N ZINC000788011518 583360272 /nfs/dbraw/zinc/36/02/72/583360272.db2.gz ALKVUWDZEUAYPR-JTQLQIEISA-N 1 0 227.308 0.878 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@H](O)CC(C)(C)C#N ZINC000857242505 588900909 /nfs/dbraw/zinc/90/09/09/588900909.db2.gz FUZSUUJVDNYFMO-WDEREUQCSA-N 1 0 224.304 0.261 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H](O)CC1(O)CCCC1 ZINC000878167841 583365496 /nfs/dbraw/zinc/36/54/96/583365496.db2.gz ZLONYMMVYXHMCU-GFCCVEGCSA-N 1 0 225.332 0.998 20 30 BCEDRO COCc1cnc(C=NNC(N)=[NH2+])s1 ZINC000814796377 583370606 /nfs/dbraw/zinc/37/06/06/583370606.db2.gz AJLWHMZTBAYUED-UHFFFAOYSA-N 1 0 213.266 0.106 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000878465289 583375327 /nfs/dbraw/zinc/37/53/27/583375327.db2.gz QTSAWNGXNNNDRR-VXGBXAGGSA-N 1 0 212.337 0.949 20 30 BCEDRO CC#CCCNC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000894272661 583403442 /nfs/dbraw/zinc/40/34/42/583403442.db2.gz ZVLJYIWEDLSNLG-NWDGAFQWSA-N 1 0 235.331 0.745 20 30 BCEDRO C=CCOCC[NH2+]C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894432345 583457046 /nfs/dbraw/zinc/45/70/46/583457046.db2.gz YLYZDOGQCSDPNJ-BDAKNGLRSA-N 1 0 249.257 0.833 20 30 BCEDRO C=CC[C@H](CO)[NH2+]C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000894461120 583466570 /nfs/dbraw/zinc/46/65/70/583466570.db2.gz NHZNOJZMRCWGOP-HLTSFMKQSA-N 1 0 249.257 0.567 20 30 BCEDRO CC1(C)CC[N@H+](CCNC(=O)NCCC#N)C1 ZINC000894485063 583470575 /nfs/dbraw/zinc/47/05/75/583470575.db2.gz JXVTUGAOFGLILW-UHFFFAOYSA-N 1 0 238.335 0.931 20 30 BCEDRO C#C[C@@H]1COCCN1CC1CC[NH+](C)CC1 ZINC000894865779 583536990 /nfs/dbraw/zinc/53/69/90/583536990.db2.gz MGESKLGXTKJCAW-CYBMUJFWSA-N 1 0 222.332 0.662 20 30 BCEDRO C=CCOCC[N@@H+](C)[C@@H]1CCOC[C@H]1OC ZINC000880437618 583537663 /nfs/dbraw/zinc/53/76/63/583537663.db2.gz OHUVZGROYGBUOP-VXGBXAGGSA-N 1 0 229.320 0.925 20 30 BCEDRO CCC[C@@H]1CN(c2ncncc2C#N)CC[NH2+]1 ZINC000895058466 583575557 /nfs/dbraw/zinc/57/55/57/583575557.db2.gz LOYJUXQUIIOJHX-LLVKDONJSA-N 1 0 231.303 0.927 20 30 BCEDRO C#CCOCCNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000841874894 583591311 /nfs/dbraw/zinc/59/13/11/583591311.db2.gz KHDPEQLJJGLQSL-NSHDSACASA-N 1 0 239.319 0.030 20 30 BCEDRO C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1cncnc1 ZINC000814886115 583597027 /nfs/dbraw/zinc/59/70/27/583597027.db2.gz RZCXKAKXQVXDQO-QWRGUYRKSA-N 1 0 244.302 0.671 20 30 BCEDRO O=C1[C@H]([NH2+]CCC[C@H]2CCO2)CCCN1O ZINC000895158846 583608432 /nfs/dbraw/zinc/60/84/32/583608432.db2.gz PIHXZSCDFASPRF-VHSXEESVSA-N 1 0 228.292 0.525 20 30 BCEDRO O=C1[C@H]([NH2+][C@H]2CCCOCC2)CCCN1O ZINC000895159524 583608974 /nfs/dbraw/zinc/60/89/74/583608974.db2.gz HEIBGWHWJQUJFS-VHSXEESVSA-N 1 0 228.292 0.525 20 30 BCEDRO CC[C@H](COC)[NH2+][C@H]1CCCN(O)C1=O ZINC000895160210 583609095 /nfs/dbraw/zinc/60/90/95/583609095.db2.gz KWVNVALXWFFQEN-BDAKNGLRSA-N 1 0 216.281 0.381 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@H]2CCCN(O)C2=O)C1 ZINC000895160703 583609647 /nfs/dbraw/zinc/60/96/47/583609647.db2.gz OSCYYRVOEAVUPG-BBBLOLIVSA-N 1 0 223.276 0.648 20 30 BCEDRO C[C@H](C[C@H]1CCOC1)[NH2+][C@H]1CCCN(O)C1=O ZINC000895160984 583609665 /nfs/dbraw/zinc/60/96/65/583609665.db2.gz QFRXGRJDMPYHHS-MXWKQRLJSA-N 1 0 242.319 0.771 20 30 BCEDRO O=C1[C@H]([NH2+][C@@H]2CCCOC2)CCCN1O ZINC000895160612 583609795 /nfs/dbraw/zinc/60/97/95/583609795.db2.gz BUMHMLYXGXQBQL-RKDXNWHRSA-N 1 0 214.265 0.135 20 30 BCEDRO COC1CC([NH2+][C@@H]2CCCN(O)C2=O)C1 ZINC000895159780 583609905 /nfs/dbraw/zinc/60/99/05/583609905.db2.gz ICYTWGVAYYTJFI-AMDVSUOASA-N 1 0 214.265 0.134 20 30 BCEDRO COCC[C@@H](C)[NH2+][C@@H]1CCCN(O)C1=O ZINC000895161827 583610581 /nfs/dbraw/zinc/61/05/81/583610581.db2.gz UUYOVYMJYNRUHH-RKDXNWHRSA-N 1 0 216.281 0.381 20 30 BCEDRO C[C@@H]1OCC[C@H]1[NH2+][C@H]1CCCN(O)C1=O ZINC000895162855 583610976 /nfs/dbraw/zinc/61/09/76/583610976.db2.gz OHRSRKBNPLDIPH-YIZRAAEISA-N 1 0 214.265 0.134 20 30 BCEDRO O=C1[C@@H]([NH2+]C[C@H]2CCCOC2)CCCN1O ZINC000895163301 583611124 /nfs/dbraw/zinc/61/11/24/583611124.db2.gz SVNIFVXQUNRCLW-ZJUUUORDSA-N 1 0 228.292 0.383 20 30 BCEDRO O=C1[C@H]([NH2+]C2CSC2)CCCN1O ZINC000895163181 583611194 /nfs/dbraw/zinc/61/11/94/583611194.db2.gz RYYIXWTUJCDNMF-SSDOTTSWSA-N 1 0 202.279 0.072 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](Nc2cc(=O)[nH]cn2)C1 ZINC000895200255 583623933 /nfs/dbraw/zinc/62/39/33/583623933.db2.gz FIYCODMYMRWRSZ-SNVBAGLBSA-N 1 0 232.287 0.692 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C)CC[NH3+])[C@@H]1CCCO1 ZINC000841882165 583626455 /nfs/dbraw/zinc/62/64/55/583626455.db2.gz WXZBYWUVNLBCOL-VWYCJHECSA-N 1 0 239.319 0.204 20 30 BCEDRO C#C[C@@H](NC(=O)N(C)CC[NH2+]C)[C@@H]1CCCO1 ZINC000841882087 583626933 /nfs/dbraw/zinc/62/69/33/583626933.db2.gz WCXPJNLCFUVHBN-MNOVXSKESA-N 1 0 239.319 0.028 20 30 BCEDRO C#C[C@H](NC(=O)N(C)CC[NH2+]C)[C@H]1CCCO1 ZINC000841882089 583627134 /nfs/dbraw/zinc/62/71/34/583627134.db2.gz WCXPJNLCFUVHBN-WDEREUQCSA-N 1 0 239.319 0.028 20 30 BCEDRO C=CCONC(=O)N1CCC12CC[NH+](C)CC2 ZINC000895249526 583632266 /nfs/dbraw/zinc/63/22/66/583632266.db2.gz VMCPFBNLWQTEBV-UHFFFAOYSA-N 1 0 239.319 0.984 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H]1[C@H](C(=O)OC)C1(F)F ZINC000895339826 583654600 /nfs/dbraw/zinc/65/46/00/583654600.db2.gz AIWWQCAXDRTGFR-BWZBUEFSSA-N 1 0 235.230 0.177 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H]1[C@@H](C(=O)OC)C1(F)F ZINC000895339829 583654724 /nfs/dbraw/zinc/65/47/24/583654724.db2.gz AIWWQCAXDRTGFR-PRJMDXOYSA-N 1 0 235.230 0.177 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000882899728 583656743 /nfs/dbraw/zinc/65/67/43/583656743.db2.gz VDNXZFGPYFKDMS-IJLUTSLNSA-N 1 0 240.347 0.770 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000841887158 583656817 /nfs/dbraw/zinc/65/68/17/583656817.db2.gz ZJPLIEHIMVCEPT-SECBINFHSA-N 1 0 245.273 0.696 20 30 BCEDRO C=C(C)CONC(=O)N1CC[C@@H]2C[N@@H+](C)C[C@@H]21 ZINC000895579370 583694864 /nfs/dbraw/zinc/69/48/64/583694864.db2.gz QEMRXBRPPGLZDT-MNOVXSKESA-N 1 0 239.319 0.840 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H]2C[N@H+](C)C[C@H]21 ZINC000895675245 583704071 /nfs/dbraw/zinc/70/40/71/583704071.db2.gz CUHSUUGUVBELHL-GARJFASQSA-N 1 0 221.304 0.354 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC[N@@H+]1CC[C@@H](C)C1 ZINC000895678167 583704483 /nfs/dbraw/zinc/70/44/83/583704483.db2.gz BXTPEOJXGGKHSD-GHMZBOCLSA-N 1 0 223.320 0.649 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@H]2[C@@H]1CCC[N@@H+]2C ZINC000895678787 583704650 /nfs/dbraw/zinc/70/46/50/583704650.db2.gz IFBIZGAZHINPFN-TUAOUCFPSA-N 1 0 235.331 0.886 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@H]2[C@H]1CCC[N@@H+]2C ZINC000895678785 583704696 /nfs/dbraw/zinc/70/46/96/583704696.db2.gz IFBIZGAZHINPFN-SDDRHHMPSA-N 1 0 235.331 0.886 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+][C@H](C)COC(C)=O ZINC000895669139 583706454 /nfs/dbraw/zinc/70/64/54/583706454.db2.gz UUHBEQMZSNXURJ-ZYHUDNBSSA-N 1 0 227.304 0.956 20 30 BCEDRO C#CCSCC(=O)NC[C@H](C)[NH+]1CCCC1 ZINC000895685701 583709352 /nfs/dbraw/zinc/70/93/52/583709352.db2.gz NGINTGBPEIHKNI-NSHDSACASA-N 1 0 240.372 0.953 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](OC)[C@H]1CCOC1 ZINC000895713287 583711428 /nfs/dbraw/zinc/71/14/28/583711428.db2.gz MPSHJGUGROQDBI-XQQFMLRXSA-N 1 0 243.347 0.955 20 30 BCEDRO C#CCN1CCC[C@H](NCc2csnn2)C1 ZINC000895746732 583716653 /nfs/dbraw/zinc/71/66/53/583716653.db2.gz CHSPNZYAAWOLNR-JTQLQIEISA-N 1 0 236.344 0.725 20 30 BCEDRO C#CC[NH+]1CCC(Nc2cnc(C#N)cn2)CC1 ZINC000895808165 583732736 /nfs/dbraw/zinc/73/27/36/583732736.db2.gz BVLOVYOIVLALDB-UHFFFAOYSA-N 1 0 241.298 0.858 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(OC)cn1 ZINC000895963460 583753696 /nfs/dbraw/zinc/75/36/96/583753696.db2.gz IRSWQVMNSWUGIA-LLVKDONJSA-N 1 0 220.272 0.564 20 30 BCEDRO C[C@@H](CC#N)NC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000895982951 583758259 /nfs/dbraw/zinc/75/82/59/583758259.db2.gz PDOHPJINUUBVQU-ONGXEEELSA-N 1 0 237.303 0.125 20 30 BCEDRO CCO[C@@H](CNc1nccnc1C#N)C[NH+](C)C ZINC000896116549 583772206 /nfs/dbraw/zinc/77/22/06/583772206.db2.gz IJXWRUDYWNAXAR-JTQLQIEISA-N 1 0 249.318 0.727 20 30 BCEDRO CC[C@@H]1CCC[N@@H+]1CC(=O)NCCC#N ZINC000727833201 583782632 /nfs/dbraw/zinc/78/26/32/583782632.db2.gz PDIAYACWJYSSRP-SNVBAGLBSA-N 1 0 209.293 0.891 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]Cc1cncnc1 ZINC000883400820 583794749 /nfs/dbraw/zinc/79/47/49/583794749.db2.gz WAAIJSXVJSMARS-LLVKDONJSA-N 1 0 207.277 0.893 20 30 BCEDRO C=CC[C@@H](C)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000896413762 583801181 /nfs/dbraw/zinc/80/11/81/583801181.db2.gz HTXFUKDFTYFERN-ZYHUDNBSSA-N 1 0 238.331 0.788 20 30 BCEDRO C#Cc1ccc(CNC(=O)NCC[NH2+]C)cc1 ZINC000841908477 583879520 /nfs/dbraw/zinc/87/95/20/583879520.db2.gz PBKMLAKUUQAOGL-UHFFFAOYSA-N 1 0 231.299 0.687 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(O)c(F)c1 ZINC000728431044 583880464 /nfs/dbraw/zinc/88/04/64/583880464.db2.gz ZAHUXKUIGDDQFP-UHFFFAOYSA-N 1 0 210.212 0.738 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CCC[C@@H]1C1CC1 ZINC000728571767 583897682 /nfs/dbraw/zinc/89/76/82/583897682.db2.gz MRMFOXBZMNZNSP-LLVKDONJSA-N 1 0 221.304 0.891 20 30 BCEDRO C=CCONC(=O)N1CC[C@H]2[NH2+]CC[C@H]2C1 ZINC000841912939 583901823 /nfs/dbraw/zinc/90/18/23/583901823.db2.gz FKGNZVIVIKDHRH-VHSXEESVSA-N 1 0 225.292 0.497 20 30 BCEDRO C#Cc1ccc(C(=O)NC2CC[NH+](C)CC2)cn1 ZINC000728959912 583939639 /nfs/dbraw/zinc/93/96/39/583939639.db2.gz LAWGEEZGXRUZFZ-UHFFFAOYSA-N 1 0 243.310 0.887 20 30 BCEDRO N#CCCCNC(=O)C1C[NH+]([C@H]2CCOC2)C1 ZINC000897367953 583942874 /nfs/dbraw/zinc/94/28/74/583942874.db2.gz KEGYWEHZAPNHGA-NSHDSACASA-N 1 0 237.303 0.127 20 30 BCEDRO C#CCSCC(=O)NCC[N@H+]1CCC[C@@H]1C ZINC000897428045 583972565 /nfs/dbraw/zinc/97/25/65/583972565.db2.gz URDZCUZRROZAAK-NSHDSACASA-N 1 0 240.372 0.953 20 30 BCEDRO C#C[C@@H](C)NC(=O)[C@@H]1CC[N@@H+]1C(C)(C)C ZINC000897433885 583973800 /nfs/dbraw/zinc/97/38/00/583973800.db2.gz GJLNKTHUJIHWJY-ZJUUUORDSA-N 1 0 208.305 0.997 20 30 BCEDRO C#CCCNC(=O)NCC[N@H+]1CC[C@H](C)C1 ZINC000897434813 583975002 /nfs/dbraw/zinc/97/50/02/583975002.db2.gz BTNVEQFLTCJTDL-NSHDSACASA-N 1 0 223.320 0.651 20 30 BCEDRO Cc1nnc(C=NNC2=[NH+]C[C@H](C)N2)s1 ZINC000863105264 583975983 /nfs/dbraw/zinc/97/59/83/583975983.db2.gz LDCPYDFBYWKZPT-YFKPBYRVSA-N 1 0 224.293 0.118 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cc[nH]c(=O)c2)N1 ZINC000863105713 583976039 /nfs/dbraw/zinc/97/60/39/583976039.db2.gz YJRKBCULPLXPNK-ZETCQYMHSA-N 1 0 219.248 0.058 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]Cc1cnnn1CC ZINC000858334482 588946371 /nfs/dbraw/zinc/94/63/71/588946371.db2.gz NWNQQUBLLKWGJN-LLVKDONJSA-N 1 0 236.319 0.816 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cnn(CC)n1 ZINC000858334043 588946382 /nfs/dbraw/zinc/94/63/82/588946382.db2.gz GWQWIILSULNLPU-NSHDSACASA-N 1 0 236.319 0.816 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]Cc1cnn(C)c1 ZINC000858333450 588946622 /nfs/dbraw/zinc/94/66/22/588946622.db2.gz GXLNYGMHYWLOEN-LBPRGKRZSA-N 1 0 221.304 0.938 20 30 BCEDRO C#CCCNC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000897482028 583992088 /nfs/dbraw/zinc/99/20/88/583992088.db2.gz KXWAXGHRFLHXJB-LLVKDONJSA-N 1 0 223.320 0.793 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1CC[C@H]2C[C@H]2C1 ZINC000863570126 583992634 /nfs/dbraw/zinc/99/26/34/583992634.db2.gz SCQCNJGLBNPXJW-SDDRHHMPSA-N 1 0 220.316 0.904 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)[C@H](C)[NH+](C)C ZINC000863801111 583996522 /nfs/dbraw/zinc/99/65/22/583996522.db2.gz VGUSNPMDNMZDSF-UWVGGRQHSA-N 1 0 212.293 0.091 20 30 BCEDRO C#CCN(C)C(=O)C1C[NH+](C2CCOCC2)C1 ZINC000897536174 584009859 /nfs/dbraw/zinc/00/98/59/584009859.db2.gz SDGNYVNNPPAAGF-UHFFFAOYSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CCCC[NH2+]Cc1cn(C[C@@H]2CCCO2)nn1 ZINC000865477513 584019018 /nfs/dbraw/zinc/01/90/18/584019018.db2.gz GDKKOSKSPHZJRG-ZDUSSCGKSA-N 1 0 248.330 0.960 20 30 BCEDRO N#CCCNCc1ccc(-c2nn[nH]n2)cc1 ZINC000737693160 584019275 /nfs/dbraw/zinc/01/92/75/584019275.db2.gz DEIRCVYNDLPQIQ-UHFFFAOYSA-N 1 0 228.259 0.870 20 30 BCEDRO C#C[C@H](CC)NC(=O)NC[C@H]1COCCN1C ZINC000858394806 588951062 /nfs/dbraw/zinc/95/10/62/588951062.db2.gz ATFXAXNCBKLPPJ-MNOVXSKESA-N 1 0 239.319 0.028 20 30 BCEDRO C#CCSCC(=O)N1CC[C@H]2C[N@@H+](C)C[C@@H]21 ZINC000897826324 584052140 /nfs/dbraw/zinc/05/21/40/584052140.db2.gz WWABMHKELHOWHA-QWRGUYRKSA-N 1 0 238.356 0.515 20 30 BCEDRO C#CCSCC(=O)N1CC[C@H]([NH+](C)C)[C@H]1C ZINC000897846243 584054074 /nfs/dbraw/zinc/05/40/74/584054074.db2.gz XSCFVYVHKBFIDS-MNOVXSKESA-N 1 0 240.372 0.904 20 30 BCEDRO Cn1nnnc1CCC[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000898038831 584079685 /nfs/dbraw/zinc/07/96/85/584079685.db2.gz SCDIHIRSGGNAKW-NXEZZACHSA-N 1 0 234.307 0.425 20 30 BCEDRO Cn1nnnc1CCC[NH2+][C@@H]1CC[C@H](C#N)C1 ZINC000898038833 584079939 /nfs/dbraw/zinc/07/99/39/584079939.db2.gz SCDIHIRSGGNAKW-VHSXEESVSA-N 1 0 234.307 0.425 20 30 BCEDRO C=CC[C@@H](CO)Nc1cc[nH+]c(CO)c1 ZINC000858482060 588959104 /nfs/dbraw/zinc/95/91/04/588959104.db2.gz SKCAEQMUAMBFDM-JTQLQIEISA-N 1 0 208.261 0.923 20 30 BCEDRO C#CCSCC(=O)N1CC([NH+]2CCCC2)C1 ZINC000898596268 584144424 /nfs/dbraw/zinc/14/44/24/584144424.db2.gz LAYJOCYJVHLXSO-UHFFFAOYSA-N 1 0 238.356 0.659 20 30 BCEDRO C=C1CN(C(=O)[C@H]2COCCN2CC)C1 ZINC000898699415 584149979 /nfs/dbraw/zinc/14/99/79/584149979.db2.gz KBWMEZUUXKKWAU-SNVBAGLBSA-N 1 0 210.277 0.106 20 30 BCEDRO C=C1CN(C(=O)[C@H](C)C[NH+]2CCOCC2)C1 ZINC000898699861 584150133 /nfs/dbraw/zinc/15/01/33/584150133.db2.gz TZDKDVQCYFZCBC-LLVKDONJSA-N 1 0 224.304 0.353 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N2CC(=C)C2)CC1 ZINC000898695765 584154103 /nfs/dbraw/zinc/15/41/03/584154103.db2.gz JHUPINOZQQOQLD-UHFFFAOYSA-N 1 0 218.300 0.730 20 30 BCEDRO CON=CC(=O)N[C@@H]1C[C@@H]([NH+](C)C)C12CCC2 ZINC000898828459 584161085 /nfs/dbraw/zinc/16/10/85/584161085.db2.gz CCRSCPQBHCOYJD-NXEZZACHSA-N 1 0 239.319 0.608 20 30 BCEDRO C#CC(=O)NC(C)(C)CN1CC[NH+](CC)CC1 ZINC000899218700 584182500 /nfs/dbraw/zinc/18/25/00/584182500.db2.gz IZSJAWVYPLRGNH-UHFFFAOYSA-N 1 0 237.347 0.152 20 30 BCEDRO CNC(NC[C@H](COC)C(C)C)=[NH+]C ZINC000899262944 584190678 /nfs/dbraw/zinc/19/06/78/584190678.db2.gz WJCGUXIZBOLHIF-SECBINFHSA-N 1 0 201.314 0.700 20 30 BCEDRO C#CCNC(=O)N1CCC[C@@H]2CC[C@]21C[NH3+] ZINC000899244380 584186344 /nfs/dbraw/zinc/18/63/44/584186344.db2.gz AGVZOCMCMSIOHK-PWSUYJOCSA-N 1 0 221.304 0.533 20 30 BCEDRO CNC(NCCNc1cccc(C)n1)=[NH+]C ZINC000899262485 584190301 /nfs/dbraw/zinc/19/03/01/584190301.db2.gz LWOBYKOEVRQYKE-UHFFFAOYSA-N 1 0 221.308 0.597 20 30 BCEDRO CNC(NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)=[NH+]C ZINC000899262782 584190322 /nfs/dbraw/zinc/19/03/22/584190322.db2.gz QATXDBDLCXOHOP-AEJSXWLSSA-N 1 0 209.293 0.372 20 30 BCEDRO CNC(NCC[C@@H]1CCCC[C@@H]1O)=[NH+]C ZINC000899262801 584190377 /nfs/dbraw/zinc/19/03/77/584190377.db2.gz QQOLJHLCYVUIAK-UWVGGRQHSA-N 1 0 213.325 0.722 20 30 BCEDRO CNC(N[C@@H]1C[C@@H]2C[C@H](C(=O)OC)C[C@H]12)=[NH+]C ZINC000899262977 584190519 /nfs/dbraw/zinc/19/05/19/584190519.db2.gz XNNWDCGRNWIZCC-AATLWQCWSA-N 1 0 239.319 0.369 20 30 BCEDRO CNC(NC1CC2(C1)CO[C@H](C)C2)=[NH+]C ZINC000899262942 584190697 /nfs/dbraw/zinc/19/06/97/584190697.db2.gz WGDSXFQCUUDPSD-FKTRJACZSA-N 1 0 211.309 0.739 20 30 BCEDRO C#CC[C@@H]1C(C)=NN(C2CC[NH2+]CC2)C1=O ZINC000899363098 584204654 /nfs/dbraw/zinc/20/46/54/584204654.db2.gz DESWWSGPWFGGIC-LLVKDONJSA-N 1 0 219.288 0.596 20 30 BCEDRO C[N@H+](CCO)CCNC(=O)CCCCC#N ZINC000899740489 584233427 /nfs/dbraw/zinc/23/34/27/584233427.db2.gz JVPIGXBXUNHWSL-UHFFFAOYSA-N 1 0 227.308 0.111 20 30 BCEDRO C=CCn1cc(C[NH2+][C@H]2COC[C@H]2CC)nn1 ZINC000899884508 584246969 /nfs/dbraw/zinc/24/69/69/584246969.db2.gz HBOSXRMXIKYVIH-PWSUYJOCSA-N 1 0 236.319 0.979 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1C[C@H](O)CN(C)CCC#N ZINC000899914639 584254387 /nfs/dbraw/zinc/25/43/87/584254387.db2.gz OGCLNVMHBWAWTP-QWHCGFSZSA-N 1 0 237.347 0.843 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C ZINC000900169067 584281585 /nfs/dbraw/zinc/28/15/85/584281585.db2.gz QAAFPEROSUJWQE-WCQYABFASA-N 1 0 240.347 0.866 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCn1ccnc1 ZINC000900193408 584284649 /nfs/dbraw/zinc/28/46/49/584284649.db2.gz JOBOYAZIXWPILE-UHFFFAOYSA-N 1 0 236.319 0.507 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1cc[nH]n1 ZINC000900200282 584287004 /nfs/dbraw/zinc/28/70/04/584287004.db2.gz DXKIGKDPOZQSNZ-UHFFFAOYSA-N 1 0 222.292 0.534 20 30 BCEDRO C[N@H+](CC(=O)N(CC#N)C1CC1)C1CCC1 ZINC000900360582 584295925 /nfs/dbraw/zinc/29/59/25/584295925.db2.gz OUKZCJJOLVHQAI-UHFFFAOYSA-N 1 0 221.304 0.985 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1cnn(CC#N)c1 ZINC000900441463 584311241 /nfs/dbraw/zinc/31/12/41/584311241.db2.gz ZOUCAJWLZHOZDX-UHFFFAOYSA-N 1 0 247.302 0.853 20 30 BCEDRO N#CCN(CC#N)C(=O)CNc1ccccn1 ZINC000900463477 584313947 /nfs/dbraw/zinc/31/39/47/584313947.db2.gz DOHCQFSZWAHELG-UHFFFAOYSA-N 1 0 229.243 0.369 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@@H]1CCOC1 ZINC000900611452 584331082 /nfs/dbraw/zinc/33/10/82/584331082.db2.gz RRVRXTMRZSVLGW-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1cocn1 ZINC000900627250 584333549 /nfs/dbraw/zinc/33/35/49/584333549.db2.gz YLMCVVLORXUYQH-UHFFFAOYSA-N 1 0 223.276 0.799 20 30 BCEDRO C#CCSCC(=O)N1CCC[N@@H+](CC)CC1 ZINC000900634569 584334412 /nfs/dbraw/zinc/33/44/12/584334412.db2.gz SPBLHKQEMPHBCD-UHFFFAOYSA-N 1 0 240.372 0.907 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCC[S@@](C)=O ZINC000900648724 584335216 /nfs/dbraw/zinc/33/52/16/584335216.db2.gz JPKNVXAAXIWKHS-MRXNPFEDSA-N 1 0 246.376 0.379 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCCCC(=O)NC ZINC000900696463 584339228 /nfs/dbraw/zinc/33/92/28/584339228.db2.gz SQZGWGIFRWCUQE-UHFFFAOYSA-N 1 0 241.335 0.137 20 30 BCEDRO C#CC(C)(C)NC(=O)C1C[NH+]([C@@H]2CCOC2)C1 ZINC000900704545 584343051 /nfs/dbraw/zinc/34/30/51/584343051.db2.gz XSQIUXLJPLKDOS-LLVKDONJSA-N 1 0 236.315 0.235 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCN(C)[C@@H](C)C1 ZINC000900847393 584356869 /nfs/dbraw/zinc/35/68/69/584356869.db2.gz OVFGXDFBDIPLHX-LBPRGKRZSA-N 1 0 239.363 0.657 20 30 BCEDRO C#CCCCNC(=O)C[C@]1(O)CCC[N@@H+](C)C1 ZINC000900868906 584363072 /nfs/dbraw/zinc/36/30/72/584363072.db2.gz CDVIHHUQGBXZIL-CYBMUJFWSA-N 1 0 238.331 0.363 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1ccon1 ZINC000900936834 584367309 /nfs/dbraw/zinc/36/73/09/584367309.db2.gz PVFDCTOQCJAGFQ-UHFFFAOYSA-N 1 0 223.276 0.799 20 30 BCEDRO C=C[C@H](C)NC(=O)C[C@]1(O)CCC[N@H+](C)C1 ZINC000901016140 584374331 /nfs/dbraw/zinc/37/43/31/584374331.db2.gz BPUQVBWPQSDQAE-CMPLNLGQSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C[C@@H](C)NC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901016142 584374419 /nfs/dbraw/zinc/37/44/19/584374419.db2.gz BPUQVBWPQSDQAE-PWSUYJOCSA-N 1 0 226.320 0.524 20 30 BCEDRO C=C(C)COCCNC(=O)C12CC[NH+](CC1)C2 ZINC000901081257 584382192 /nfs/dbraw/zinc/38/21/92/584382192.db2.gz JYSVHXYCSVSDIK-UHFFFAOYSA-N 1 0 238.331 0.791 20 30 BCEDRO C#CC[C@@H](CCOC)Nc1cc[nH+]cc1C(N)=O ZINC000858857088 588979253 /nfs/dbraw/zinc/97/92/53/588979253.db2.gz PKDGOXWPULNBHP-JTQLQIEISA-N 1 0 247.298 0.443 20 30 BCEDRO C#CC[C@H](CCOC)Nc1cc[nH+]cc1C(N)=O ZINC000858857089 588979422 /nfs/dbraw/zinc/97/94/22/588979422.db2.gz PKDGOXWPULNBHP-SNVBAGLBSA-N 1 0 247.298 0.443 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC1(COC)CC1 ZINC000901105158 584388649 /nfs/dbraw/zinc/38/86/49/584388649.db2.gz LZSZWANECGHWKV-UHFFFAOYSA-N 1 0 226.320 0.790 20 30 BCEDRO C#CC[C@H](COC)Nc1cc[nH+]cc1C(N)=O ZINC000858860489 588979766 /nfs/dbraw/zinc/97/97/66/588979766.db2.gz NPAVYTVLBAJOLB-SECBINFHSA-N 1 0 233.271 0.053 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1CC[C@H](O)CC1 ZINC000901187695 584393496 /nfs/dbraw/zinc/39/34/96/584393496.db2.gz AVTDESCNKJPPTB-HAQNSBGRSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(C)[C@H](C)CO ZINC000901197398 584397786 /nfs/dbraw/zinc/39/77/86/584397786.db2.gz IXPYFVRYHLDMMY-SNVBAGLBSA-N 1 0 214.309 0.334 20 30 BCEDRO C[C@@H]1CNC(NN=C2CC3(C2)CO[C@@H](C)C3)=[NH+]1 ZINC000901216374 584401271 /nfs/dbraw/zinc/40/12/71/584401271.db2.gz QPRLQWYDJAYLMU-RLBMWQAVSA-N 1 0 236.319 0.869 20 30 BCEDRO CC(=NOCC(F)F)c1c[nH]c(N)[nH+]1 ZINC000901217483 584401843 /nfs/dbraw/zinc/40/18/43/584401843.db2.gz PQOSAIKXWGRCAN-UHFFFAOYSA-N 1 0 204.180 0.998 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]CCN2)o1 ZINC000901252339 584410229 /nfs/dbraw/zinc/41/02/29/584410229.db2.gz DUWYMJNHTMXLCU-UHFFFAOYSA-N 1 0 208.221 0.171 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1cnn(C2CCC2)c1 ZINC000901252540 584410305 /nfs/dbraw/zinc/41/03/05/584410305.db2.gz IHOOJGOMFIHCMN-UHFFFAOYSA-N 1 0 246.318 0.881 20 30 BCEDRO C[C@H]1Cc2cc(C=NNC3=[NH+]CCN3)ccc2O1 ZINC000901252455 584410537 /nfs/dbraw/zinc/41/05/37/584410537.db2.gz GFJITINIKQELEP-VIFPVBQESA-N 1 0 244.298 0.893 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](CO)C1 ZINC000901225353 584411635 /nfs/dbraw/zinc/41/16/35/584411635.db2.gz PMSUTJNDQGDSSA-NSHDSACASA-N 1 0 226.320 0.335 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCC(=O)CC ZINC000901261639 584417139 /nfs/dbraw/zinc/41/71/39/584417139.db2.gz UCQJRKCXCXOBED-UHFFFAOYSA-N 1 0 212.293 0.590 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1C[C@@H](C)[C@@H](O)C1 ZINC000901284689 584421765 /nfs/dbraw/zinc/42/17/65/584421765.db2.gz HSLBTOSKHRJBAV-MNOVXSKESA-N 1 0 226.320 0.334 20 30 BCEDRO C[C@@H]1C(N=N[C@@H]2CCCC[C@H]2O)CC[N@@H+]1C ZINC000901332709 584425374 /nfs/dbraw/zinc/42/53/74/584425374.db2.gz KTAACVAFNUFYTI-YUSALJHKSA-N 1 0 225.336 0.960 20 30 BCEDRO CC#CCCNC(=O)C[C@@]1(O)CCC[N@H+](C)C1 ZINC000901358056 584431810 /nfs/dbraw/zinc/43/18/10/584431810.db2.gz RVMDRSVZUPMKJR-ZDUSSCGKSA-N 1 0 238.331 0.363 20 30 BCEDRO C=C[C@@H](NC[C@@H]1C=C[C@H]2C[C@@H]1CO2)C(=O)OC ZINC000901579973 584466818 /nfs/dbraw/zinc/46/68/18/584466818.db2.gz BBCBBGKZMODBQZ-WHOHXGKFSA-N 1 0 237.299 0.895 20 30 BCEDRO C=CC[N@@H+](C)Cc1c(CO)[nH]cc(OC)c1=O ZINC000902228239 584541704 /nfs/dbraw/zinc/54/17/04/584541704.db2.gz FTSRWCBEALXSLL-UHFFFAOYSA-N 1 0 238.287 0.494 20 30 BCEDRO C#CCCOC(=O)NCCOCC[NH+](C)C ZINC000859102754 589002212 /nfs/dbraw/zinc/00/22/12/589002212.db2.gz SDLKBJXRPSCVEE-UHFFFAOYSA-N 1 0 228.292 0.314 20 30 BCEDRO C[C@@H](O)C[NH2+][C@@H](C)c1cc(C#N)ccn1 ZINC000902720420 584659343 /nfs/dbraw/zinc/65/93/43/584659343.db2.gz ICTVICDLDBHNBK-BDAKNGLRSA-N 1 0 205.261 0.985 20 30 BCEDRO C[C@@H]([NH2+][C@@H](C)CC(N)=O)c1cc(C#N)ccn1 ZINC000902848784 584681849 /nfs/dbraw/zinc/68/18/49/584681849.db2.gz XSWVOORBUIVHLZ-DTWKUNHWSA-N 1 0 232.287 0.868 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)C(C)(F)F)CC1 ZINC000902944025 584696183 /nfs/dbraw/zinc/69/61/83/584696183.db2.gz CXJDXZAAFBOHER-UHFFFAOYSA-N 1 0 230.258 0.855 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1CCC[C@H](F)C1 ZINC000903002787 584716202 /nfs/dbraw/zinc/71/62/02/584716202.db2.gz HHDVWXVEIAABGP-ZJUUUORDSA-N 1 0 212.268 0.558 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+][C@@H](C)c1cn(C)nn1 ZINC000903009047 584717283 /nfs/dbraw/zinc/71/72/83/584717283.db2.gz XLOOAVIYNVLIDL-NGZCFLSTSA-N 1 0 222.292 0.809 20 30 BCEDRO Cc1cc(C#N)cc(C)c1CN(C)C[C@@H](O)C[NH3+] ZINC000903454168 584773684 /nfs/dbraw/zinc/77/36/84/584773684.db2.gz WGJIJJDEJBXEEO-ZDUSSCGKSA-N 1 0 247.342 0.927 20 30 BCEDRO C=CCNC(=O)CN[C@@H]1CC[NH2+]C12CCCC2 ZINC000903485101 584779669 /nfs/dbraw/zinc/77/96/69/584779669.db2.gz ICAJMHVRKPZQFE-LLVKDONJSA-N 1 0 237.347 0.553 20 30 BCEDRO C[C@H]([NH3+])CNS(=O)(=O)c1ccsc1C#N ZINC000903494110 584780759 /nfs/dbraw/zinc/78/07/59/584780759.db2.gz APRZLUHBJBGVAS-LURJTMIESA-N 1 0 245.329 0.245 20 30 BCEDRO C[NH2+]C[C@@](C)(O)CN1CCC[C@@H](C#N)C1 ZINC000903563524 584782276 /nfs/dbraw/zinc/78/22/76/584782276.db2.gz GKHSOFMJCUKPGP-WDEREUQCSA-N 1 0 211.309 0.192 20 30 BCEDRO C=CCCS(=O)(=O)N[C@@H]1C[C@H]2CC[C@@H]1[NH2+]2 ZINC000903563750 584782326 /nfs/dbraw/zinc/78/23/26/584782326.db2.gz GETAGQUADCMPFA-KXUCPTDWSA-N 1 0 230.333 0.375 20 30 BCEDRO C=CCCS(=O)(=O)N1CC[C@@H]2CC[C@]21C[NH3+] ZINC000903588845 584783572 /nfs/dbraw/zinc/78/35/72/584783572.db2.gz KZFFRUUDMSFPJW-QWRGUYRKSA-N 1 0 244.360 0.706 20 30 BCEDRO C=CCN1CC[C@H](N(CC[NH2+]C)C(C)C)C1=O ZINC000903573980 584784074 /nfs/dbraw/zinc/78/40/74/584784074.db2.gz PAQVPTHPWYGFAU-LBPRGKRZSA-N 1 0 239.363 0.703 20 30 BCEDRO C=CCCS(=O)(=O)N[C@H]1C[C@H](C[NH3+])C1 ZINC000903571256 584784079 /nfs/dbraw/zinc/78/40/79/584784079.db2.gz UMIGYXNBPIPXSD-KYZUINATSA-N 1 0 218.322 0.219 20 30 BCEDRO C=CCNC(=O)CN1CCC[C@H]2CC[C@]21C[NH3+] ZINC000903795656 584800915 /nfs/dbraw/zinc/80/09/15/584800915.db2.gz OGCQCMNJBJZIHY-AAEUAGOBSA-N 1 0 237.347 0.492 20 30 BCEDRO C[C@@]1(C#N)CN(C[C@@H]2CC[C@H]([NH3+])C2)CCO1 ZINC000903824918 584804346 /nfs/dbraw/zinc/80/43/46/584804346.db2.gz UYZXGLPGZAAXDC-GRYCIOLGSA-N 1 0 223.320 0.728 20 30 BCEDRO C=CCN1CC[C@H]([N@H+]2CC[C@@H]3CC[C@]32CN)C1=O ZINC000903861003 584812063 /nfs/dbraw/zinc/81/20/63/584812063.db2.gz VHESNFLNVZBLIN-OBJOEFQTSA-N 1 0 249.358 0.587 20 30 BCEDRO C=CCN1CC[C@H](N2CCC[C@@]23CC[NH2+]C3)C1=O ZINC000903870582 584814755 /nfs/dbraw/zinc/81/47/55/584814755.db2.gz NTBODWVKXUHHEY-JSGCOSHPSA-N 1 0 249.358 0.601 20 30 BCEDRO COC[C@H]1C[NH2+]CCN1Cc1ccc(C#N)cc1 ZINC000903880850 584817047 /nfs/dbraw/zinc/81/70/47/584817047.db2.gz NGZSTLWTNWFYPX-CQSZACIVSA-N 1 0 245.326 0.978 20 30 BCEDRO COCc1noc(C2CC3(C2)C[NH2+]C[C@H]3C#N)n1 ZINC000904081954 584840097 /nfs/dbraw/zinc/84/00/97/584840097.db2.gz ZPXIDSOZJKYMLA-NBBOBHDQSA-N 1 0 248.286 0.823 20 30 BCEDRO C[NH+](C)C/C=C\C(=O)NC1(C#N)CCC1 ZINC000491849519 584892930 /nfs/dbraw/zinc/89/29/30/584892930.db2.gz OUMQNNWNOCUBHY-HYXAFXHYSA-N 1 0 207.277 0.667 20 30 BCEDRO C#CCNC(=O)C[N@@H+](CCCO)CC(C)(C)C ZINC000730379211 584910374 /nfs/dbraw/zinc/91/03/74/584910374.db2.gz NZAYIOZXXJBOIJ-UHFFFAOYSA-N 1 0 240.347 0.466 20 30 BCEDRO O=S1(=O)C=C(NNc2ccc(F)c[nH+]2)CC1 ZINC000731317545 584924905 /nfs/dbraw/zinc/92/49/05/584924905.db2.gz AEUTVCZOKKJYJB-UHFFFAOYSA-N 1 0 243.263 0.807 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1=NOC[C@@H]1CCOC1 ZINC000788037699 584928119 /nfs/dbraw/zinc/92/81/19/584928119.db2.gz XQRXRUGMBMJYDL-NXEZZACHSA-N 1 0 212.293 0.977 20 30 BCEDRO CC[C@H](C)C[N@H+](C)CC(=O)NCCC#N ZINC000732206216 584934749 /nfs/dbraw/zinc/93/47/49/584934749.db2.gz SXSJRYOTIVEQGU-JTQLQIEISA-N 1 0 211.309 0.994 20 30 BCEDRO C#CCCNC(=O)CCN1CC[NH+](CC)CC1 ZINC000733367217 584947372 /nfs/dbraw/zinc/94/73/72/584947372.db2.gz VDJXBVOENAXSGA-UHFFFAOYSA-N 1 0 237.347 0.154 20 30 BCEDRO C[C@H]1[NH2+]CCN(C(=O)c2ccc(C#N)[nH]2)[C@@H]1C ZINC000884272178 584948620 /nfs/dbraw/zinc/94/86/20/584948620.db2.gz QZSAHUIRCKEUEJ-RKDXNWHRSA-N 1 0 232.287 0.709 20 30 BCEDRO C#CCCNC(=O)NC[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000733642603 584951410 /nfs/dbraw/zinc/95/14/10/584951410.db2.gz OQHGBTLIOHLMOX-NSHDSACASA-N 1 0 235.331 0.793 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1[C@@H](O)CC ZINC000733997642 584956235 /nfs/dbraw/zinc/95/62/35/584956235.db2.gz SZCVZSPQUFYLMK-NEPJUHHUSA-N 1 0 238.331 0.361 20 30 BCEDRO NC(=[NH2+])N=NC1CCC(O)(C(F)(F)F)CC1 ZINC000734744621 584967631 /nfs/dbraw/zinc/96/76/31/584967631.db2.gz VDDURGITKFIYHT-UHFFFAOYSA-N 1 0 238.213 0.693 20 30 BCEDRO Cc1nccc(C=NNC2=[NH+]C[C@H](C)N2)n1 ZINC000814897388 585018724 /nfs/dbraw/zinc/01/87/24/585018724.db2.gz JLNXRFMFNNTLDE-ZETCQYMHSA-N 1 0 218.264 0.056 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1C[N@@H+](C2CC2)C[C@H]1C ZINC000773593499 585023453 /nfs/dbraw/zinc/02/34/53/585023453.db2.gz SZYNASUPBDDUFK-SCVCMEIPSA-N 1 0 235.331 0.790 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@H]1CC[N@@H+](CC)C1 ZINC000822673437 585027148 /nfs/dbraw/zinc/02/71/48/585027148.db2.gz QZQRQJYZWJDVDM-VXGBXAGGSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NC[C@@H]1CC[N@@H+](CC)C1 ZINC000822673433 585027165 /nfs/dbraw/zinc/02/71/65/585027165.db2.gz QZQRQJYZWJDVDM-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO C#CCN1CCN(C(=O)[C@@H]2CCCC[N@H+]2C)CC1 ZINC000737851413 585039020 /nfs/dbraw/zinc/03/90/20/585039020.db2.gz VATXDNQZDUJVKZ-ZDUSSCGKSA-N 1 0 249.358 0.248 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)NCc1ccccc1 ZINC000841507141 585040833 /nfs/dbraw/zinc/04/08/33/585040833.db2.gz VVCQJICMOJFRTN-RYUDHWBXSA-N 1 0 244.298 0.597 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H]2C[C@H]1CS2 ZINC000838319381 585053776 /nfs/dbraw/zinc/05/37/76/585053776.db2.gz QDOJSDDGKVKXII-UWVGGRQHSA-N 1 0 226.345 0.821 20 30 BCEDRO C[C@@H]1CN(CCOC(=O)C#CC2CC2)CCO1 ZINC000838366051 585054550 /nfs/dbraw/zinc/05/45/50/585054550.db2.gz GUPFLSRNEHXZQU-LLVKDONJSA-N 1 0 237.299 0.664 20 30 BCEDRO C=CCONC(=O)NCCNc1cc[nH+]cc1 ZINC000838707885 585065755 /nfs/dbraw/zinc/06/57/55/585065755.db2.gz RYTWQPUPMAZHJK-UHFFFAOYSA-N 1 0 236.275 0.332 20 30 BCEDRO C=CCONC(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000838707629 585065770 /nfs/dbraw/zinc/06/57/70/585065770.db2.gz NWDXXFITIABUMW-VIFPVBQESA-N 1 0 227.308 0.886 20 30 BCEDRO C=CCONC(=O)N1CCC[C@H]([NH+](C)C)C1 ZINC000838708147 585065952 /nfs/dbraw/zinc/06/59/52/585065952.db2.gz ZARRFCHRUBPWQD-JTQLQIEISA-N 1 0 227.308 0.840 20 30 BCEDRO C=CCONC(=O)NCC[N@@H+](C)C1CC1 ZINC000838708593 585066083 /nfs/dbraw/zinc/06/60/83/585066083.db2.gz ZXWLPSJUBCMEPQ-UHFFFAOYSA-N 1 0 213.281 0.497 20 30 BCEDRO C=CCN(CC(=O)OCC)C[C@@H](O)C1CC1 ZINC000838799981 585068965 /nfs/dbraw/zinc/06/89/65/585068965.db2.gz KGWLZGFQWBNYAR-LLVKDONJSA-N 1 0 227.304 0.808 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H](O)C1CC1)[C@@H]1CCCO1 ZINC000838937171 585082019 /nfs/dbraw/zinc/08/20/19/585082019.db2.gz RCFVOPGDUGSSEH-TUAOUCFPSA-N 1 0 209.289 0.528 20 30 BCEDRO C=CC[C@H](CO)C[NH2+]Cc1cnn(CC)n1 ZINC000838984653 585084198 /nfs/dbraw/zinc/08/41/98/585084198.db2.gz NDAZFIWYPCXIQC-JTQLQIEISA-N 1 0 224.308 0.572 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1C[C@@H](OC)C12CCC2 ZINC000839190979 585097312 /nfs/dbraw/zinc/09/73/12/585097312.db2.gz MEUTZIQIHARNIK-GHMZBOCLSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)[C@@H](C)OC)CC1 ZINC000740737896 585106024 /nfs/dbraw/zinc/10/60/24/585106024.db2.gz YWZXTFRCIOEGNE-LLVKDONJSA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCC[NH+]1CCC(NC(=O)CCOC)CC1 ZINC000740737986 585106133 /nfs/dbraw/zinc/10/61/33/585106133.db2.gz PMMCONILMAWGCO-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO N#CCCNC(=O)C[N@@H+](CCCCO)C1CC1 ZINC000741253294 585111688 /nfs/dbraw/zinc/11/16/88/585111688.db2.gz USUPOFLMSCACIA-UHFFFAOYSA-N 1 0 239.319 0.253 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@H]2CO[C@@H](C)C2)C1 ZINC000886208912 585112845 /nfs/dbraw/zinc/11/28/45/585112845.db2.gz ACGSTUMQAGPMMH-RWMBFGLXSA-N 1 0 222.332 0.851 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+][C@@H]2CO[C@@H](C)C2)C1 ZINC000886208910 585112890 /nfs/dbraw/zinc/11/28/90/585112890.db2.gz ACGSTUMQAGPMMH-AVGNSLFASA-N 1 0 222.332 0.851 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2c(C)cnn2C)C1 ZINC000886210975 585112921 /nfs/dbraw/zinc/11/29/21/585112921.db2.gz GOPMLEBOOBJTNL-CYBMUJFWSA-N 1 0 246.358 0.916 20 30 BCEDRO CC[N@@H+]1CCC(=NN2CCN(C)CC2)[C@H](C)C1 ZINC000741451426 585114105 /nfs/dbraw/zinc/11/41/05/585114105.db2.gz OSAQCDWQPLXWCA-GFCCVEGCSA-N 1 0 238.379 0.952 20 30 BCEDRO C=CCNC(=S)NCC[N@@H+](C)CCCOC ZINC000741512346 585115298 /nfs/dbraw/zinc/11/52/98/585115298.db2.gz WDNDPUXSFAEKTL-UHFFFAOYSA-N 1 0 245.392 0.605 20 30 BCEDRO CC[N@H+](CCCSCC#N)CC(=O)NC ZINC000745942956 585161503 /nfs/dbraw/zinc/16/15/03/585161503.db2.gz WIELDCOCHVISSM-UHFFFAOYSA-N 1 0 229.349 0.701 20 30 BCEDRO C=CC[N@@H+](CCN1CCCS1(=O)=O)C(C)C ZINC000746448943 585167976 /nfs/dbraw/zinc/16/79/76/585167976.db2.gz GDOIDRFNDYMHBX-UHFFFAOYSA-N 1 0 246.376 0.918 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@H]([C@H]2CCCO2)C1 ZINC000886832157 585181117 /nfs/dbraw/zinc/18/11/17/585181117.db2.gz BSYGRYISZBAQBM-WDEREUQCSA-N 1 0 237.303 0.127 20 30 BCEDRO C#CCNC(=O)CN1CCc2ccc(F)cc2C1 ZINC000749459798 585202544 /nfs/dbraw/zinc/20/25/44/585202544.db2.gz IKSKYGDKXYAPFR-UHFFFAOYSA-N 1 0 246.285 0.933 20 30 BCEDRO CC[N@@H+]1CCC(=NN[C@@H](C)CO)[C@@H](C)C1 ZINC000749820946 585206986 /nfs/dbraw/zinc/20/69/86/585206986.db2.gz LNXLHXVKDKNQNM-UWVGGRQHSA-N 1 0 213.325 0.675 20 30 BCEDRO CNC(NCc1ccc(C(N)=O)cc1)=[NH+]C ZINC000750544687 585217278 /nfs/dbraw/zinc/21/72/78/585217278.db2.gz RQDCFCMSWJAFIG-UHFFFAOYSA-N 1 0 220.276 0.080 20 30 BCEDRO CNC(NCc1cccc(C(N)=O)c1)=[NH+]C ZINC000750542014 585217311 /nfs/dbraw/zinc/21/73/11/585217311.db2.gz NSKBPCQRQAOZJL-UHFFFAOYSA-N 1 0 220.276 0.080 20 30 BCEDRO C[C@@H](C(=O)N1CCC(C#N)CC1)[NH+](C)C ZINC000750610474 585217885 /nfs/dbraw/zinc/21/78/85/585217885.db2.gz DVLXJTNBQUKIBD-VIFPVBQESA-N 1 0 209.293 0.699 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1cnccn1 ZINC000752161717 585243127 /nfs/dbraw/zinc/24/31/27/585243127.db2.gz USZZHWJFOWETTI-MRVPVSSYSA-N 1 0 205.265 0.826 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC1N=Nc1ccnc(N(C)C)n1 ZINC000752165575 585243328 /nfs/dbraw/zinc/24/33/28/585243328.db2.gz KUABEYBVUCYVSC-SECBINFHSA-N 1 0 248.334 0.892 20 30 BCEDRO COc1ccnc(N=NC2C[N@H+](C)C[C@H]2C)n1 ZINC000752160285 585243449 /nfs/dbraw/zinc/24/34/49/585243449.db2.gz ISRCVZNHJSKWED-MRVPVSSYSA-N 1 0 235.291 0.835 20 30 BCEDRO C#CCSCCNC(=O)NCC[NH+]1CCC1 ZINC000752669717 585248698 /nfs/dbraw/zinc/24/86/98/585248698.db2.gz AVNBMQALJIOBSQ-UHFFFAOYSA-N 1 0 241.360 0.358 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC(C)(CCOC)C1 ZINC000752920334 585251474 /nfs/dbraw/zinc/25/14/74/585251474.db2.gz OJKGTSQDLZJFDD-UHFFFAOYSA-N 1 0 240.347 0.989 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N[C@H]1CCC[N@H+](C)C1 ZINC000753171991 585254794 /nfs/dbraw/zinc/25/47/94/585254794.db2.gz MDZAQKXOMFKUSW-QWRGUYRKSA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCOCCNC(=O)[C@H]1CCC[N@H+]1CCC ZINC000753228438 585255643 /nfs/dbraw/zinc/25/56/43/585255643.db2.gz RUTFZTCGYIDBPT-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C[C@@H]1CSCC[N@H+](CC(=O)NCCC#N)C1 ZINC000753837705 585270571 /nfs/dbraw/zinc/27/05/71/585270571.db2.gz NOIFNZWRNOLSNS-JTQLQIEISA-N 1 0 241.360 0.701 20 30 BCEDRO C(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ncc[nH]1 ZINC000753934240 585272246 /nfs/dbraw/zinc/27/22/46/585272246.db2.gz GZNPEIFRMAOFHB-IUCAKERBSA-N 1 0 232.291 0.604 20 30 BCEDRO Cn1cc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)cn1 ZINC000753935345 585272490 /nfs/dbraw/zinc/27/24/90/585272490.db2.gz NRSHONWQTSVOPR-QWRGUYRKSA-N 1 0 246.318 0.614 20 30 BCEDRO C#CC(=O)N(CC[NH+](C)C)Cc1ccccn1 ZINC000754020955 585275625 /nfs/dbraw/zinc/27/56/25/585275625.db2.gz BIKIGZZDKKHSAI-UHFFFAOYSA-N 1 0 231.299 0.605 20 30 BCEDRO C#CC(=O)NCC1CC[NH+](CCN(C)C)CC1 ZINC000754029557 585275764 /nfs/dbraw/zinc/27/57/64/585275764.db2.gz MOHMIRKEBHNIFQ-UHFFFAOYSA-N 1 0 237.347 0.009 20 30 BCEDRO C#CC(=O)NCC1([NH+](C)C)Cc2ccccc2C1 ZINC000754045917 585276213 /nfs/dbraw/zinc/27/62/13/585276213.db2.gz CFLHPWUMEWWPCL-UHFFFAOYSA-N 1 0 242.322 0.835 20 30 BCEDRO C#CC(=O)N1CCC(OCCC[NH+](C)C)CC1 ZINC000754065106 585277249 /nfs/dbraw/zinc/27/72/49/585277249.db2.gz QMDNIJUHQKNIAJ-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCCN[C@@H](C(=O)OCC)C1CCOCC1 ZINC000755193569 585295744 /nfs/dbraw/zinc/29/57/44/585295744.db2.gz RHSOUNOAHXLGEZ-GFCCVEGCSA-N 1 0 239.315 0.958 20 30 BCEDRO C#CCOCCC(=O)NCC[NH+]1CCCC1 ZINC000755425510 585299377 /nfs/dbraw/zinc/29/93/77/585299377.db2.gz KHQPLOLDWDMGNP-UHFFFAOYSA-N 1 0 224.304 0.238 20 30 BCEDRO NC(=[NH2+])NN=Cc1cccc2[nH]ccc21 ZINC000755634734 585302427 /nfs/dbraw/zinc/30/24/27/585302427.db2.gz WSABLJFMNIKAQS-UHFFFAOYSA-N 1 0 201.233 0.985 20 30 BCEDRO NC(=[NH2+])NN=Cc1cnc([C@@H]2CCCO2)s1 ZINC000755632324 585302841 /nfs/dbraw/zinc/30/28/41/585302841.db2.gz GDGUFBLQZUUTFX-ZETCQYMHSA-N 1 0 239.304 0.812 20 30 BCEDRO C#CCOCCC(=O)N1CCC[C@@H]1C[NH+](C)C ZINC000755843622 585308617 /nfs/dbraw/zinc/30/86/17/585308617.db2.gz YIMZTCFEHRYXDU-GFCCVEGCSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCOCCC(=O)N[C@H](C)C[NH+](CC)CC ZINC000755905510 585310125 /nfs/dbraw/zinc/31/01/25/585310125.db2.gz SOXIHMLPPWGIQE-GFCCVEGCSA-N 1 0 240.347 0.873 20 30 BCEDRO CC(C)[C@@H]1CC[N@H+](CC(=O)NCCC#N)C1 ZINC000755995236 585312455 /nfs/dbraw/zinc/31/24/55/585312455.db2.gz LFFQWSPCQKRPJH-LLVKDONJSA-N 1 0 223.320 0.994 20 30 BCEDRO C=CCC[C@@H](CO)NC(=S)NCC[NH+](C)C ZINC000840824734 585331688 /nfs/dbraw/zinc/33/16/88/585331688.db2.gz NRBWCBWZENGCJM-JTQLQIEISA-N 1 0 245.392 0.339 20 30 BCEDRO CN(C)C(=S)NN=C1CCC[N@H+](C)CC1 ZINC000758108437 585349200 /nfs/dbraw/zinc/34/92/00/585349200.db2.gz COMYKVQEKKDJSS-UHFFFAOYSA-N 1 0 228.365 0.894 20 30 BCEDRO C#CCNC(=S)NCC1([NH+](C)C)CCCC1 ZINC000758208585 585351871 /nfs/dbraw/zinc/35/18/71/585351871.db2.gz GVYSODOTULBQBX-UHFFFAOYSA-N 1 0 239.388 0.958 20 30 BCEDRO C#CCNC(=S)N[C@@H]1CCC[N@@H+](C)C1 ZINC000758209471 585351915 /nfs/dbraw/zinc/35/19/15/585351915.db2.gz LFXXZYVGOHZJCP-SECBINFHSA-N 1 0 211.334 0.178 20 30 BCEDRO C#CCNC(=S)NC[C@H](C1CC1)[NH+](C)C ZINC000758206243 585351951 /nfs/dbraw/zinc/35/19/51/585351951.db2.gz ZEPUKVTVZJSGCR-SNVBAGLBSA-N 1 0 225.361 0.424 20 30 BCEDRO C[C@H](C#N)OC(=O)[C@H](C)N1CCSCC1 ZINC000759808266 585380659 /nfs/dbraw/zinc/38/06/59/585380659.db2.gz FESKLVJTBJPYSB-BDAKNGLRSA-N 1 0 228.317 0.879 20 30 BCEDRO C=CCC[C@@H](O)C[N@@H+]1CCCNC(=O)C1 ZINC000760830576 585398211 /nfs/dbraw/zinc/39/82/11/585398211.db2.gz IJQBINJNGMJGGG-SNVBAGLBSA-N 1 0 212.293 0.135 20 30 BCEDRO C#CCCN1CC[NH+](C[C@H](O)C2CC2)CC1 ZINC000760841316 585398984 /nfs/dbraw/zinc/39/89/84/585398984.db2.gz UMSDDLDYDXGRTO-ZDUSSCGKSA-N 1 0 222.332 0.398 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H](NC(=O)NC2CC2)C1 ZINC000760895734 585401322 /nfs/dbraw/zinc/40/13/22/585401322.db2.gz CTHOWFKFDBXIHM-GFCCVEGCSA-N 1 0 235.331 0.936 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@](C)(CC)CC(=O)OC ZINC000760904183 585401586 /nfs/dbraw/zinc/40/15/86/585401586.db2.gz XUMWKIPGWBUMLS-LBPRGKRZSA-N 1 0 240.303 0.057 20 30 BCEDRO C=CCNC(=O)[C@@H](C)N1CC[N@H+](C)[C@@H](C)C1 ZINC000761074541 585405745 /nfs/dbraw/zinc/40/57/45/585405745.db2.gz XGBJGWNFDQQURN-WDEREUQCSA-N 1 0 225.336 0.313 20 30 BCEDRO C#CCOCC[N@@H+](C)Cc1cnn(C)c1 ZINC000761107561 585409687 /nfs/dbraw/zinc/40/96/87/585409687.db2.gz GKQHSRDETVACGP-UHFFFAOYSA-N 1 0 207.277 0.502 20 30 BCEDRO C#CCOCC[N@@H+](C)CCn1cccn1 ZINC000761107543 585409711 /nfs/dbraw/zinc/40/97/11/585409711.db2.gz GBDJCAHNILVADC-UHFFFAOYSA-N 1 0 207.277 0.465 20 30 BCEDRO C#CCOCCN(C)CC[NH+]1CCCC1 ZINC000761108384 585410022 /nfs/dbraw/zinc/41/00/22/585410022.db2.gz MAGIBTMMUUIXSA-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO C#CCOCC[N@@H+](C)C[C@H]1CCCOC1 ZINC000761114788 585410415 /nfs/dbraw/zinc/41/04/15/585410415.db2.gz PKULGWKPRBQWRE-GFCCVEGCSA-N 1 0 211.305 0.995 20 30 BCEDRO C[C@@H]1CC(N=Nc2cccnn2)C[N@@H+]1C ZINC000761812761 585418573 /nfs/dbraw/zinc/41/85/73/585418573.db2.gz OMDMHIGRLDYTQI-MRVPVSSYSA-N 1 0 205.265 0.969 20 30 BCEDRO NC(=[NH2+])NN=Cc1cnc(C2CC2)s1 ZINC000761795225 585418613 /nfs/dbraw/zinc/41/86/13/585418613.db2.gz WYGHNPMBTOSALY-UHFFFAOYSA-N 1 0 209.278 0.837 20 30 BCEDRO COc1ccnc(N=NC2C[C@H](C)[N@H+](C)C2)n1 ZINC000761805631 585419040 /nfs/dbraw/zinc/41/90/40/585419040.db2.gz IVTCIPMZCXFBMX-QMMMGPOBSA-N 1 0 235.291 0.977 20 30 BCEDRO C[NH+](C)C1(C(=O)N2CCO[C@H](C#N)C2)CCC1 ZINC000763043359 585442107 /nfs/dbraw/zinc/44/21/07/585442107.db2.gz RWVMBGIJDHGSCU-SNVBAGLBSA-N 1 0 237.303 0.222 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NC[C@@H]1CCCO1 ZINC000763894269 585456106 /nfs/dbraw/zinc/45/61/06/585456106.db2.gz FRSZBBJENREFIB-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO C#CC[N@@H+](CCCN1CCOC1=O)C1CC1 ZINC000763951493 585457711 /nfs/dbraw/zinc/45/77/11/585457711.db2.gz YBDYPAIJQRFMPR-UHFFFAOYSA-N 1 0 222.288 0.926 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](C)OC[C@@H]1C ZINC000764190696 585460941 /nfs/dbraw/zinc/46/09/41/585460941.db2.gz ZXZBOBSCGHJYAK-WDEREUQCSA-N 1 0 226.320 0.740 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](O)C1 ZINC000764196063 585461108 /nfs/dbraw/zinc/46/11/08/585461108.db2.gz NHHKZVCXUDWFCE-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1cnn(CC)c1 ZINC000764253036 585462717 /nfs/dbraw/zinc/46/27/17/585462717.db2.gz KIMNVRPTDHHXMI-UHFFFAOYSA-N 1 0 222.292 0.959 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)Cn1cccn1 ZINC000764251730 585462973 /nfs/dbraw/zinc/46/29/73/585462973.db2.gz ZEVNAWJJOZVNAE-LLVKDONJSA-N 1 0 236.319 0.506 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCCC(=O)OCC ZINC000764440303 585465641 /nfs/dbraw/zinc/46/56/41/585465641.db2.gz BOKKKLZMVOJPPO-UHFFFAOYSA-N 1 0 228.292 0.174 20 30 BCEDRO CC#CC(=O)NC1CC[NH+](CCCOC)CC1 ZINC000764471033 585465960 /nfs/dbraw/zinc/46/59/60/585465960.db2.gz KMLPKRNWAFTNKY-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H](COC)C1 ZINC000764507347 585467005 /nfs/dbraw/zinc/46/70/05/585467005.db2.gz MFLHMDMMVVBRJG-LBPRGKRZSA-N 1 0 240.347 0.989 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)[C@H](CO)SC ZINC000764631320 585469371 /nfs/dbraw/zinc/46/93/71/585469371.db2.gz JROUKPXKFCQVQE-ZJUUUORDSA-N 1 0 246.376 0.333 20 30 BCEDRO C#CCNC(=S)N1C[C@@H](C)[N@H+](CC)C[C@H]1C ZINC000765509184 585488788 /nfs/dbraw/zinc/48/87/88/585488788.db2.gz BZLHDOMDCPDKFE-GHMZBOCLSA-N 1 0 239.388 0.909 20 30 BCEDRO CNC(=S)NN=C1CC[N@@H+]2CCC[C@@H]12 ZINC000765548507 585489727 /nfs/dbraw/zinc/48/97/27/585489727.db2.gz MAKKDBBKJYHSFA-QMMMGPOBSA-N 1 0 212.322 0.304 20 30 BCEDRO Cn1ccnc(N=NC2CC[N@@H+]3CCC[C@@H]23)c1=O ZINC000765581141 585490308 /nfs/dbraw/zinc/49/03/08/585490308.db2.gz NOBSVCBLOKVSMQ-JTQLQIEISA-N 1 0 247.302 0.416 20 30 BCEDRO C[C@H](C#N)CNN=C1CC[N@@H+]2CCC[C@H]12 ZINC000765582139 585490372 /nfs/dbraw/zinc/49/03/72/585490372.db2.gz CAWMXEHJBAQHNB-MWLCHTKSSA-N 1 0 206.293 0.960 20 30 BCEDRO CCN(CCC#N)[C@H]1CCC(=O)NC1=O ZINC000765965637 585494686 /nfs/dbraw/zinc/49/46/86/585494686.db2.gz RDDIMEMAHAIQLR-QMMMGPOBSA-N 1 0 209.249 0.027 20 30 BCEDRO C#CC(=O)N1CC[C@@H]([NH+]2CCCC2)[C@@H]1C ZINC000805333453 585505581 /nfs/dbraw/zinc/50/55/81/585505581.db2.gz JPOZURCVDMOJCR-WDEREUQCSA-N 1 0 206.289 0.705 20 30 BCEDRO C#CCCC[NH+]1CCN(CCOC)CC1 ZINC000766894992 585509423 /nfs/dbraw/zinc/50/94/23/585509423.db2.gz HUXUPCZQWVHCAX-UHFFFAOYSA-N 1 0 210.321 0.664 20 30 BCEDRO C#CCCC[NH+]1CCC(N2CCNC2=O)CC1 ZINC000766895200 585509590 /nfs/dbraw/zinc/50/95/90/585509590.db2.gz JXOYQDPCLUXZPS-UHFFFAOYSA-N 1 0 235.331 0.889 20 30 BCEDRO C#CCCCN1CC[NH+]([C@H]2CCC[C@@H]2O)CC1 ZINC000766896579 585509829 /nfs/dbraw/zinc/50/98/29/585509829.db2.gz UBHSLSPITPTLAN-KBPBESRZSA-N 1 0 236.359 0.931 20 30 BCEDRO C#CCCC[N@@H+](C)CCN1CCCC1=O ZINC000766901072 585510454 /nfs/dbraw/zinc/51/04/54/585510454.db2.gz KEUQNLZLSVOWKI-UHFFFAOYSA-N 1 0 208.305 0.954 20 30 BCEDRO C#CCCC[N@H+]1CCOC[C@H]1C[C@H](C)O ZINC000767032500 585512868 /nfs/dbraw/zinc/51/28/68/585512868.db2.gz XYBRVGMODHICIH-NWDGAFQWSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCCC[N@@H+]1CCO[C@@]2(CCOC2)C1 ZINC000769219515 585551179 /nfs/dbraw/zinc/55/11/79/585551179.db2.gz CAAPABHBXWOUIL-LBPRGKRZSA-N 1 0 209.289 0.891 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CCCC2(CC2)C1 ZINC000770698990 585580380 /nfs/dbraw/zinc/58/03/80/585580380.db2.gz FHBONWCBFKMLNI-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO CCN(CCC#N)C(=O)C[NH2+][C@H](CO)C1CC1 ZINC000771811862 585600907 /nfs/dbraw/zinc/60/09/07/585600907.db2.gz FDYVKODBOGFYKU-LLVKDONJSA-N 1 0 239.319 0.109 20 30 BCEDRO C#CCCOC(=O)[C@H]1CN(CC)CCO1 ZINC000805467894 585619842 /nfs/dbraw/zinc/61/98/42/585619842.db2.gz BXWUKJDUUGENHL-SNVBAGLBSA-N 1 0 211.261 0.274 20 30 BCEDRO C#C[C@H](NC(=O)[C@H]1CCC[N@H+]1C)[C@@H]1CCCO1 ZINC000772889051 585626628 /nfs/dbraw/zinc/62/66/28/585626628.db2.gz FYOVOCHGJLZXQY-TUAOUCFPSA-N 1 0 236.315 0.378 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@@H+]2CCCC[C@H]12 ZINC000773595512 585641366 /nfs/dbraw/zinc/64/13/66/585641366.db2.gz BXXITQQEJZQFSU-QJPTWQEYSA-N 1 0 235.331 0.934 20 30 BCEDRO CON=CC(=O)N[C@H]1CC[N@@H+]2CCCC[C@@H]12 ZINC000773807053 585644179 /nfs/dbraw/zinc/64/41/79/585644179.db2.gz FRSOOMRCLQCDDQ-UWVGGRQHSA-N 1 0 225.292 0.362 20 30 BCEDRO C=C(CO)C(=O)NCC[NH+]1CCC(C)CC1 ZINC000773808475 585644239 /nfs/dbraw/zinc/64/42/39/585644239.db2.gz RAKKHBQIVPZXMK-UHFFFAOYSA-N 1 0 226.320 0.383 20 30 BCEDRO C#CCC[N@H+]1C[C@H](CO)C[C@@H](OCCOC)C1 ZINC000773965813 585647341 /nfs/dbraw/zinc/64/73/41/585647341.db2.gz UTNSYYHNHUUKRF-CHWSQXEVSA-N 1 0 241.331 0.356 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCC[C@H]1CO ZINC000774083450 585649876 /nfs/dbraw/zinc/64/98/76/585649876.db2.gz WOFRNMADAIDZGF-JTQLQIEISA-N 1 0 212.293 0.088 20 30 BCEDRO CC[NH+](CC)[C@H](C)CNC(=O)C=NOC ZINC000774386647 585657241 /nfs/dbraw/zinc/65/72/41/585657241.db2.gz TYKFZRAOZNRRTM-SECBINFHSA-N 1 0 215.297 0.465 20 30 BCEDRO NC(=O)CN[NH+]=C1CCCNc2ccccc21 ZINC000774409873 585657402 /nfs/dbraw/zinc/65/74/02/585657402.db2.gz MVDBQFZPGIKAFS-UHFFFAOYSA-N 1 0 232.287 0.671 20 30 BCEDRO CC[N@@H+]1CCC(=NN=c2cc[nH]n2C)[C@@H](C)C1 ZINC000774411319 585657726 /nfs/dbraw/zinc/65/77/26/585657726.db2.gz SIBLFNBWFJXIHB-JTQLQIEISA-N 1 0 235.335 0.972 20 30 BCEDRO CON=CC(=O)NC[C@H]1CCC[N@@H+](C(C)C)C1 ZINC000774410981 585657876 /nfs/dbraw/zinc/65/78/76/585657876.db2.gz RZDGXSDSWIYLKU-LLVKDONJSA-N 1 0 241.335 0.855 20 30 BCEDRO CON=CC(=O)NC[C@H]1CC[N@H+](CC(C)C)C1 ZINC000774438328 585659089 /nfs/dbraw/zinc/65/90/89/585659089.db2.gz VBXUGPOAVAMCCV-LLVKDONJSA-N 1 0 241.335 0.713 20 30 BCEDRO COC(=O)[C@@H](C)n1cccc1C=NNC(N)=[NH2+] ZINC000774588475 585661502 /nfs/dbraw/zinc/66/15/02/585661502.db2.gz BZKPHSFKUVCSJU-SSDOTTSWSA-N 1 0 237.263 0.039 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](CCO)C2CC2)CC1 ZINC000859250105 589024199 /nfs/dbraw/zinc/02/41/99/589024199.db2.gz FRISSNRJBZYFOE-RYUDHWBXSA-N 1 0 238.331 0.792 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](COC)c1ccccc1 ZINC000775306648 585675222 /nfs/dbraw/zinc/67/52/22/585675222.db2.gz YTRHEFIYCRJOGC-CYBMUJFWSA-N 1 0 246.310 0.713 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H](C)c1nccn1C ZINC000775379686 585676675 /nfs/dbraw/zinc/67/66/75/585676675.db2.gz FEWRUQLIRWDKPK-JTQLQIEISA-N 1 0 234.303 0.210 20 30 BCEDRO C#C[C@H](C)NC(=O)C[N@H+]1[C@H](C)CC[C@@H]1C ZINC000775385563 585676998 /nfs/dbraw/zinc/67/69/98/585676998.db2.gz IUNYXWJZXZASDZ-GARJFASQSA-N 1 0 208.305 0.997 20 30 BCEDRO C#CC[C@H]([NH2+]CC(=O)NC(N)=O)c1ccccc1 ZINC000775399710 585677569 /nfs/dbraw/zinc/67/75/69/585677569.db2.gz TVVUNDZEXVKULF-NSHDSACASA-N 1 0 245.282 0.536 20 30 BCEDRO C#CCNC(=O)C[N@@H+](C)[C@@H](CO)CC(C)C ZINC000775753211 585684160 /nfs/dbraw/zinc/68/41/60/585684160.db2.gz FYANTRAMUXMBHD-LLVKDONJSA-N 1 0 226.320 0.075 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)Cn1cccn1)[C@@H]1CCCO1 ZINC000775789138 585684828 /nfs/dbraw/zinc/68/48/28/585684828.db2.gz AXNGHXATUKNYOZ-AVGNSLFASA-N 1 0 249.314 0.014 20 30 BCEDRO C#C[C@H]([NH2+]CC[C@H]1CCOC1=O)[C@H]1CCCO1 ZINC000775795632 585685099 /nfs/dbraw/zinc/68/50/99/585685099.db2.gz OOCCDQROZJAGNQ-SDDRHHMPSA-N 1 0 237.299 0.710 20 30 BCEDRO C#C[C@@H]([NH2+]CCC1OCCCO1)[C@H]1CCCO1 ZINC000775794819 585685360 /nfs/dbraw/zinc/68/53/60/585685360.db2.gz KHMQGIIGNOWAPR-VXGBXAGGSA-N 1 0 239.315 0.910 20 30 BCEDRO C#CCOCCC(=O)N(C)CCC[NH+](C)C ZINC000775818128 585685863 /nfs/dbraw/zinc/68/58/63/585685863.db2.gz UDXIFRGUBXRTAA-UHFFFAOYSA-N 1 0 226.320 0.436 20 30 BCEDRO C#CC(=O)N1C[C@H](SC)[C@@H]([NH+]2CCCC2)C1 ZINC000777319800 585710326 /nfs/dbraw/zinc/71/03/26/585710326.db2.gz RZJBZRHGVZWIAF-QWRGUYRKSA-N 1 0 238.356 0.658 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)CC1(C#N)CC1)[C@H]1CCCO1 ZINC000859257426 589024881 /nfs/dbraw/zinc/02/48/81/589024881.db2.gz BBBRUDSTRLQOEV-FRRDWIJNSA-N 1 0 248.326 0.812 20 30 BCEDRO C#C[C@H]([NH2+]CCc1cn(C)nn1)[C@H]1CCCO1 ZINC000859258872 589025120 /nfs/dbraw/zinc/02/51/20/589025120.db2.gz VPRVVIBQZSPGLE-NWDGAFQWSA-N 1 0 234.303 0.128 20 30 BCEDRO COc1c(O)cccc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779792062 585763665 /nfs/dbraw/zinc/76/36/65/585763665.db2.gz IQHFMRAHFRUQGW-MRVPVSSYSA-N 1 0 248.286 0.672 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccc[nH]1 ZINC000779792416 585763810 /nfs/dbraw/zinc/76/38/10/585763810.db2.gz RKNCMXVBAMELDS-SSDOTTSWSA-N 1 0 205.265 0.676 20 30 BCEDRO C[C@H]1CNC(NN=CC2CCOCC2)=[NH+]1 ZINC000779791213 585763838 /nfs/dbraw/zinc/76/38/38/585763838.db2.gz HWUGTCRVYYOSGU-QMMMGPOBSA-N 1 0 210.281 0.336 20 30 BCEDRO CCC(=NNC1=[NH+]C[C@H](C)N1)c1cnn(C)c1 ZINC000779791410 585763864 /nfs/dbraw/zinc/76/38/64/585763864.db2.gz ISZKVIMZISOVBF-QMMMGPOBSA-N 1 0 234.307 0.472 20 30 BCEDRO CC[C@@H]1CC(=NNC2=[NH+][C@H](C)CN2)CCO1 ZINC000779791457 585763927 /nfs/dbraw/zinc/76/39/27/585763927.db2.gz CXFAXRKXHGJLGS-PSASIEDQSA-N 1 0 224.308 0.869 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccoc1 ZINC000779793679 585764188 /nfs/dbraw/zinc/76/41/88/585764188.db2.gz XAGXPJMCNSGUHL-ZETCQYMHSA-N 1 0 206.249 0.941 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cncc(F)c1 ZINC000779794255 585764344 /nfs/dbraw/zinc/76/43/44/585764344.db2.gz FPBAMAQVUMYIME-ZETCQYMHSA-N 1 0 235.266 0.882 20 30 BCEDRO Cc1ncsc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000779794277 585764512 /nfs/dbraw/zinc/76/45/12/585764512.db2.gz GASNLSVWOGENEY-ZCFIWIBFSA-N 1 0 223.305 0.723 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cccc3nccn32)N1 ZINC000779800453 585764560 /nfs/dbraw/zinc/76/45/60/585764560.db2.gz NLZHFBDVUWPPPY-VIFPVBQESA-N 1 0 242.286 0.606 20 30 BCEDRO CCC(=NNC1=[NH+][C@H](C)CN1)[C@H]1CCOC1 ZINC000779801269 585764571 /nfs/dbraw/zinc/76/45/71/585764571.db2.gz SZJHGJKNKBOUQM-BDAKNGLRSA-N 1 0 224.308 0.726 20 30 BCEDRO CCC(=NNC1=[NH+][C@@H](C)CN1)[C@H]1CCOC1 ZINC000779801394 585764679 /nfs/dbraw/zinc/76/46/79/585764679.db2.gz SZJHGJKNKBOUQM-IUCAKERBSA-N 1 0 224.308 0.726 20 30 BCEDRO CCC(=NNC1=[NH+][C@@H](C)CN1)[C@@H]1CCOC1 ZINC000779801393 585764685 /nfs/dbraw/zinc/76/46/85/585764685.db2.gz SZJHGJKNKBOUQM-DTWKUNHWSA-N 1 0 224.308 0.726 20 30 BCEDRO COc1ccccc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000779799621 585764705 /nfs/dbraw/zinc/76/47/05/585764705.db2.gz KVAACTQFCVKNDV-VIFPVBQESA-N 1 0 232.287 0.966 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]C[C@H](C)N2)cc1O ZINC000779802235 585764846 /nfs/dbraw/zinc/76/48/46/585764846.db2.gz CMRNCRPLNXEETN-QMMMGPOBSA-N 1 0 248.286 0.672 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cccc(C(N)=O)c2)N1 ZINC000779801812 585764884 /nfs/dbraw/zinc/76/48/84/585764884.db2.gz YEMCNNJEXDLHAY-QMMMGPOBSA-N 1 0 245.286 0.057 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccco1 ZINC000779803003 585765046 /nfs/dbraw/zinc/76/50/46/585765046.db2.gz LVOCHQOGMKYYAF-SSDOTTSWSA-N 1 0 206.249 0.941 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]C[C@H](C)N2)cn1 ZINC000780243859 585774744 /nfs/dbraw/zinc/77/47/44/585774744.db2.gz YUWMBBQMEMUZHW-QMMMGPOBSA-N 1 0 233.275 0.361 20 30 BCEDRO N#CCCCC[N@H+]1CCCN(C=O)CC1 ZINC000781560622 585798465 /nfs/dbraw/zinc/79/84/65/585798465.db2.gz HAPULFJJKABMLU-UHFFFAOYSA-N 1 0 209.293 0.844 20 30 BCEDRO C=C(C)[C@@H](CO)[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000782004309 585806396 /nfs/dbraw/zinc/80/63/96/585806396.db2.gz KNIIRCFEFYCGJJ-SNVBAGLBSA-N 1 0 240.303 0.498 20 30 BCEDRO C[N@@H+]1CC[C@H](C(=O)NCc2ccc(C#N)cn2)C1 ZINC000782026145 585806956 /nfs/dbraw/zinc/80/69/56/585806956.db2.gz BQRJIRSYHNOYMT-NSHDSACASA-N 1 0 244.298 0.521 20 30 BCEDRO CC(=NNC1=[NH+][C@@H](C)CN1)[C@]1(C)CCCO1 ZINC000782266607 585813550 /nfs/dbraw/zinc/81/35/50/585813550.db2.gz BDDDXFYGAPEMDU-KWQFWETISA-N 1 0 224.308 0.869 20 30 BCEDRO C[C@H](C#N)C(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000783917900 585845889 /nfs/dbraw/zinc/84/58/89/585845889.db2.gz DGSGPFJIEJYCLA-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@]1(C)CCO[C@@H]1C1CC1 ZINC000784592615 585864208 /nfs/dbraw/zinc/86/42/08/585864208.db2.gz KRRNXPGNDIHRAY-CHWSQXEVSA-N 1 0 236.315 0.283 20 30 BCEDRO C#CCOCCNC(=O)C[N@@H+](CC)C1CC1 ZINC000784609135 585864812 /nfs/dbraw/zinc/86/48/12/585864812.db2.gz AKEKPQVBDNNYBJ-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO CC1(C[NH2+]CCNC(=O)C2N=CC=CC2=O)CC1 ZINC000785469945 585874233 /nfs/dbraw/zinc/87/42/33/585874233.db2.gz XQQQCVKMUVZKSA-VAWYXSNFSA-N 1 0 249.314 0.903 20 30 BCEDRO C#C[C@H]([NH2+]Cc1ccnc(N)c1)[C@@H]1CCCO1 ZINC000785814404 585881303 /nfs/dbraw/zinc/88/13/03/585881303.db2.gz NBGSCCTVGWTUAI-RYUDHWBXSA-N 1 0 231.299 0.934 20 30 BCEDRO C=C[C@H]1CCCC[N@H+]1CCS(N)(=O)=O ZINC000785998236 585885121 /nfs/dbraw/zinc/88/51/21/585885121.db2.gz AECHNUVQUNHSSK-VIFPVBQESA-N 1 0 218.322 0.315 20 30 BCEDRO C=CCCN(C)Cn1nc2cnccn2c1=O ZINC000786102317 585887257 /nfs/dbraw/zinc/88/72/57/585887257.db2.gz MXXLASUQVQIFRY-UHFFFAOYSA-N 1 0 233.275 0.356 20 30 BCEDRO C=CCC[N@@H+](C)CC(=O)N1CCO[C@H](C)C1 ZINC000786443279 585891566 /nfs/dbraw/zinc/89/15/66/585891566.db2.gz IKSDAHVWLFDKAJ-LLVKDONJSA-N 1 0 226.320 0.742 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1CC[C@@H](C(=O)OC)[C@H]1C ZINC000787324762 585906316 /nfs/dbraw/zinc/90/63/16/585906316.db2.gz MCNQZROMYRXMHP-MXWKQRLJSA-N 1 0 227.304 0.807 20 30 BCEDRO C#CCCC[N@H+]1C[C@@H]2CCC[C@@H]2[C@H]1C(N)=O ZINC000787332734 585907209 /nfs/dbraw/zinc/90/72/09/585907209.db2.gz VOXUVNZFTOSUKT-SRVKXCTJSA-N 1 0 220.316 0.986 20 30 BCEDRO C[NH+](C)CC1CCN(C(=O)NCCC#N)CC1 ZINC000787371789 585908180 /nfs/dbraw/zinc/90/81/80/585908180.db2.gz SXSGZYMNTPTYMV-UHFFFAOYSA-N 1 0 238.335 0.883 20 30 BCEDRO C#CC(=O)N1CC[N@H+](C2CCOCC2)C[C@H]1C ZINC000787684519 585914114 /nfs/dbraw/zinc/91/41/14/585914114.db2.gz NJFWSFRORBDTMZ-LLVKDONJSA-N 1 0 236.315 0.331 20 30 BCEDRO C1C[C@H]2C(N=N[C@H]3CCOC3)CC[N@@H+]2C1 ZINC000788447599 585924066 /nfs/dbraw/zinc/92/40/66/585924066.db2.gz OKNIQXWCOXMRNG-ONGXEEELSA-N 1 0 209.293 0.589 20 30 BCEDRO C[C@@H]1CC(N=N[C@@H]2CCOC2)C[N@@H+]1C1CC1 ZINC000788449213 585924392 /nfs/dbraw/zinc/92/43/92/585924392.db2.gz WZXPRMSPKFUWGW-NXEZZACHSA-N 1 0 223.320 0.978 20 30 BCEDRO CCN(C)c1ccc(C=[NH+]N[C@H](C)CO)cn1 ZINC000790167306 585958950 /nfs/dbraw/zinc/95/89/50/585958950.db2.gz QQSBWMORKSBHMY-SNVBAGLBSA-N 1 0 236.319 0.842 20 30 BCEDRO CCN(C)c1ccc(C=[NH+]N[C@@H](C)CO)cn1 ZINC000790167305 585958987 /nfs/dbraw/zinc/95/89/87/585958987.db2.gz QQSBWMORKSBHMY-JTQLQIEISA-N 1 0 236.319 0.842 20 30 BCEDRO CC(=NNC1=[NH+][C@H]2CCCC[C@@H]2N1)c1ncc[nH]1 ZINC000790171810 585959265 /nfs/dbraw/zinc/95/92/65/585959265.db2.gz IHMYIVTZUMKWPX-UWVGGRQHSA-N 1 0 246.318 0.994 20 30 BCEDRO CC(=NNC1=[NH+][C@@H]2CCCC[C@@H]2N1)c1ncc[nH]1 ZINC000790171804 585959319 /nfs/dbraw/zinc/95/93/19/585959319.db2.gz IHMYIVTZUMKWPX-AOOOYVTPSA-N 1 0 246.318 0.994 20 30 BCEDRO C#CC(=O)NC[C@H]1[N@H+](C)CCCC1(C)C ZINC000791146638 585974463 /nfs/dbraw/zinc/97/44/63/585974463.db2.gz LORYAQWHAHSZHF-SNVBAGLBSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(CO)C(=O)NC[C@H](c1ccccc1)[NH+](C)C ZINC000791297969 585976518 /nfs/dbraw/zinc/97/65/18/585976518.db2.gz WHJANYUYCHNCDO-CYBMUJFWSA-N 1 0 248.326 0.954 20 30 BCEDRO C=C(CO)C(=O)NC1CC[NH+](C2CC2)CC1 ZINC000791310495 585976959 /nfs/dbraw/zinc/97/69/59/585976959.db2.gz UZVFPPJTZZXSDR-UHFFFAOYSA-N 1 0 224.304 0.278 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)CCOC ZINC000791342629 585978242 /nfs/dbraw/zinc/97/82/42/585978242.db2.gz JRCYZWLWOBKUFZ-SNVBAGLBSA-N 1 0 214.309 0.645 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@H]1CC[N@@H+](CC)C[C@@H]1C ZINC000791368998 585979244 /nfs/dbraw/zinc/97/92/44/585979244.db2.gz FXKJSSBYJISQAE-JQWIXIFHSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@@H]1CC[N@@H+](CC)C[C@H]1C ZINC000791369001 585979423 /nfs/dbraw/zinc/97/94/23/585979423.db2.gz FXKJSSBYJISQAE-ZYHUDNBSSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CO)C(=O)N1CC[C@H]([NH+](CC)CC)C1 ZINC000791375074 585979447 /nfs/dbraw/zinc/97/94/47/585979447.db2.gz HXXPYQYKZGPTGL-NSHDSACASA-N 1 0 226.320 0.478 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@@H](C)C[S@@](C)=O ZINC000791393183 585980178 /nfs/dbraw/zinc/98/01/78/585980178.db2.gz AKILQZDPHJAEQZ-MGPLVRAMSA-N 1 0 246.376 0.330 20 30 BCEDRO C#CC[N@H+](C)CCCCS(C)(=O)=O ZINC000792298468 585999382 /nfs/dbraw/zinc/99/93/82/585999382.db2.gz LSGREZKKTMBKKF-UHFFFAOYSA-N 1 0 203.307 0.376 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(C(=O)N(C)C)cc1 ZINC000792962805 586007848 /nfs/dbraw/zinc/00/78/48/586007848.db2.gz QRMXCZIYHUGWLE-UHFFFAOYSA-N 1 0 247.302 0.595 20 30 BCEDRO Cn1cncc1CN=Nc1ncncc1F ZINC000793199545 586013720 /nfs/dbraw/zinc/01/37/20/586013720.db2.gz RWDYKQNJEHGNIQ-UHFFFAOYSA-N 1 0 220.211 0.795 20 30 BCEDRO Cn1cnc(C=NNC2=[NH+][C@H]3CCCC[C@@H]3N2)c1 ZINC000794523262 586041912 /nfs/dbraw/zinc/04/19/12/586041912.db2.gz GGLSCKPTLBSKMT-QWRGUYRKSA-N 1 0 246.318 0.614 20 30 BCEDRO C[C@@H]1CNC(NN=C2CCOC[C@@H]2C)=[NH+]1 ZINC000794531178 586042264 /nfs/dbraw/zinc/04/22/64/586042264.db2.gz RWQDCLPKRWIDCP-JGVFFNPUSA-N 1 0 210.281 0.336 20 30 BCEDRO Cc1ccncc1C=NNC1=[NH+]C[C@@H](C)N1 ZINC000794529374 586042294 /nfs/dbraw/zinc/04/22/94/586042294.db2.gz CMCDLYRAIJQABS-SECBINFHSA-N 1 0 217.276 0.661 20 30 BCEDRO Cn1cnc(CN=Nc2cnn(C)c2)c1 ZINC000794537413 586042665 /nfs/dbraw/zinc/04/26/65/586042665.db2.gz HOYBWLKTERNXDQ-UHFFFAOYSA-N 1 0 204.237 0.600 20 30 BCEDRO COCCCNN=C1CC[N@@H+]2CCC[C@H]12 ZINC000794542640 586043281 /nfs/dbraw/zinc/04/32/81/586043281.db2.gz SLTBFISAZULECW-LLVKDONJSA-N 1 0 211.309 0.837 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](O)C1(C)C ZINC000794598352 586045431 /nfs/dbraw/zinc/04/54/31/586045431.db2.gz ONRFYSZPFUTSJR-JTQLQIEISA-N 1 0 226.320 0.476 20 30 BCEDRO COCc1cc(C=NNC2=[NH+]C[C@H](C)N2)no1 ZINC000794926584 586055371 /nfs/dbraw/zinc/05/53/71/586055371.db2.gz BLXDZOOVYQVHSZ-ZETCQYMHSA-N 1 0 237.263 0.092 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1C[C@H]2[C@H](C(=O)OC)[C@H]2C1 ZINC000794975144 586060422 /nfs/dbraw/zinc/06/04/22/586060422.db2.gz WUGTZCJFBDWVFY-ZRUFSTJUSA-N 1 0 225.288 0.274 20 30 BCEDRO COCCCON=C1C[N@H+](C)C[C@H]1C ZINC000795041664 586066224 /nfs/dbraw/zinc/06/62/24/586066224.db2.gz FOMQTKCZWSIBJE-SECBINFHSA-N 1 0 200.282 0.977 20 30 BCEDRO CO[C@H](C)CN(C)Cn1ccc(C)c(C#N)c1=O ZINC000795745542 586091785 /nfs/dbraw/zinc/09/17/85/586091785.db2.gz CPEQWJRMYDFMQW-LLVKDONJSA-N 1 0 249.314 0.953 20 30 BCEDRO C[C@@H](C[C@H]1CCOC1)[NH2+]CCn1cnc(C#N)n1 ZINC000797089656 586120050 /nfs/dbraw/zinc/12/00/50/586120050.db2.gz YULDNFPBHMRVCF-WDEREUQCSA-N 1 0 249.318 0.554 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)[C@H]1CCCC[N@H+]1C ZINC000799070771 586155505 /nfs/dbraw/zinc/15/55/05/586155505.db2.gz SJCWVAHNBFKNPO-VXGBXAGGSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCC[C@@H](O)CNC(=O)[C@@H]1CCCC[N@H+]1C ZINC000799070692 586155628 /nfs/dbraw/zinc/15/56/28/586155628.db2.gz SJCWVAHNBFKNPO-NEPJUHHUSA-N 1 0 238.331 0.361 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@@H]1CCCC[N@H+]1C ZINC000799086063 586156241 /nfs/dbraw/zinc/15/62/41/586156241.db2.gz BSNDBVXZRKNUHA-NSHDSACASA-N 1 0 219.288 0.456 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@H]1CCCC[N@H+]1C ZINC000799086062 586156375 /nfs/dbraw/zinc/15/63/75/586156375.db2.gz BSNDBVXZRKNUHA-LLVKDONJSA-N 1 0 219.288 0.456 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]CCc1cn(C)nn1 ZINC000859324842 589032016 /nfs/dbraw/zinc/03/20/16/589032016.db2.gz OIKNJCYRBPJEQN-MNOVXSKESA-N 1 0 222.292 0.291 20 30 BCEDRO CO[C@H]1CCCC[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000799371749 586174552 /nfs/dbraw/zinc/17/45/52/586174552.db2.gz MZEXGWWXUVTAKC-QWRGUYRKSA-N 1 0 239.319 0.563 20 30 BCEDRO Cc1cc(NNC2=CC(=O)N3CCC[C@@H]23)[nH+]cn1 ZINC000799480055 586178920 /nfs/dbraw/zinc/17/89/20/586178920.db2.gz FIBASCUSWCPXKB-JTQLQIEISA-N 1 0 245.286 0.948 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1cnoc1C ZINC000799485521 586179398 /nfs/dbraw/zinc/17/93/98/586179398.db2.gz QVQWBGTVCXSTQV-LURJTMIESA-N 1 0 221.264 0.644 20 30 BCEDRO C#CCCN1CC[N@@H+](C[C@@H](C)O)C[C@@H]1C ZINC000800374256 586213119 /nfs/dbraw/zinc/21/31/19/586213119.db2.gz MGVFGTWHLOQFMC-NWDGAFQWSA-N 1 0 210.321 0.397 20 30 BCEDRO CC#CC(=O)NC[C@H]1CCC[N@H+]1CCOC ZINC000801151494 586243494 /nfs/dbraw/zinc/24/34/94/586243494.db2.gz OTXDGUCTEZPOHM-LLVKDONJSA-N 1 0 224.304 0.237 20 30 BCEDRO CC#CC(=O)N1CCC[C@H]2C[N@H+](C)CC[C@@H]21 ZINC000801173876 586245025 /nfs/dbraw/zinc/24/50/25/586245025.db2.gz GAZGZVILVWNVRA-RYUDHWBXSA-N 1 0 220.316 0.952 20 30 BCEDRO CCC(CC)(CCO)[NH2+]CC(=O)NCCC#N ZINC000801588489 586265219 /nfs/dbraw/zinc/26/52/19/586265219.db2.gz PZEWNQXBZODFJB-UHFFFAOYSA-N 1 0 241.335 0.547 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CCCC[C@@H]1CC(N)=O ZINC000801918153 586276728 /nfs/dbraw/zinc/27/67/28/586276728.db2.gz XHASSEMVPBXOTQ-WDEREUQCSA-N 1 0 239.319 0.645 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](CCO)Cc1cccnc1 ZINC000801929030 586278432 /nfs/dbraw/zinc/27/84/32/586278432.db2.gz OJUROXGKHOUKGA-GFCCVEGCSA-N 1 0 249.314 0.805 20 30 BCEDRO COCC1(O)CC[NH+](CCO[C@@H](C)C#N)CC1 ZINC000801936851 586279910 /nfs/dbraw/zinc/27/99/10/586279910.db2.gz XPEOGFBPDQZCCF-NSHDSACASA-N 1 0 242.319 0.388 20 30 BCEDRO COCC1(O)CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000801936849 586280078 /nfs/dbraw/zinc/28/00/78/586280078.db2.gz XPEOGFBPDQZCCF-LLVKDONJSA-N 1 0 242.319 0.388 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCCC[C@]1(C)C(N)=O ZINC000801940355 586280158 /nfs/dbraw/zinc/28/01/58/586280158.db2.gz AEULURGBCGDCNF-ZYHUDNBSSA-N 1 0 239.319 0.645 20 30 BCEDRO C[C@H](C#N)OCCN1C[C@H](C)[N@H+](C)C[C@H]1C ZINC000801940741 586280616 /nfs/dbraw/zinc/28/06/16/586280616.db2.gz QPACRWUHKBOLIY-QJPTWQEYSA-N 1 0 225.336 0.939 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H]1CCCC[C@@H]1C(N)=O ZINC000801940749 586280894 /nfs/dbraw/zinc/28/08/94/586280894.db2.gz DPEQAXSHFUISAX-OUAUKWLOSA-N 1 0 239.319 0.549 20 30 BCEDRO C=C(Cl)CN(CCO)CCOCCOC ZINC000859512219 589042074 /nfs/dbraw/zinc/04/20/74/589042074.db2.gz QDTVNBHGUNSJOL-UHFFFAOYSA-N 1 0 237.727 0.696 20 30 BCEDRO CC(C)C(Cn1cccn1)N=NC(N)=[NH2+] ZINC000802708808 586310142 /nfs/dbraw/zinc/31/01/42/586310142.db2.gz NIBOLHQNMQSZNU-UHFFFAOYSA-N 1 0 208.269 0.378 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@](OC)(C(=O)OC)C1 ZINC000859557622 589045137 /nfs/dbraw/zinc/04/51/37/589045137.db2.gz VBVHEJCTFSWOIO-LBPRGKRZSA-N 1 0 225.288 0.664 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cc(C)nn1C ZINC000803459591 586357966 /nfs/dbraw/zinc/35/79/66/586357966.db2.gz YNIBQKLWNUPLNU-UHFFFAOYSA-N 1 0 236.319 0.463 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CSC[C@@H]1C ZINC000804499681 586397797 /nfs/dbraw/zinc/39/77/97/586397797.db2.gz GOWAHBPIHMXDHF-VHSXEESVSA-N 1 0 228.361 0.972 20 30 BCEDRO C#Cc1cncc(C(=O)N(C)CC[NH+](C)C)c1 ZINC000806991169 586421324 /nfs/dbraw/zinc/42/13/24/586421324.db2.gz HRAYNVIVQTZHQF-UHFFFAOYSA-N 1 0 231.299 0.697 20 30 BCEDRO NC(=[NH2+])NN=Cc1c[nH]c(C(F)(F)F)c1 ZINC000807961867 586453130 /nfs/dbraw/zinc/45/31/30/586453130.db2.gz IWMWRGDFLBCXJT-UHFFFAOYSA-N 1 0 219.170 0.850 20 30 BCEDRO C(=NNCC[NH+]1CCCCC1)c1cnccn1 ZINC000807964739 586453294 /nfs/dbraw/zinc/45/32/94/586453294.db2.gz TZNMSBKKFYDOLC-UHFFFAOYSA-N 1 0 233.319 0.886 20 30 BCEDRO c1nc(N=NC2CC[N@@H+]3CCC[C@H]23)n[nH]1 ZINC000807996207 586456480 /nfs/dbraw/zinc/45/64/80/586456480.db2.gz WAOVFBOFWRXKIJ-MRVPVSSYSA-N 1 0 206.253 0.441 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000809577660 586507652 /nfs/dbraw/zinc/50/76/52/586507652.db2.gz YKVVNBGGQCRWGI-MNOVXSKESA-N 1 0 210.277 0.373 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@]2(CCOC2)C1 ZINC000809577659 586507864 /nfs/dbraw/zinc/50/78/64/586507864.db2.gz YKVVNBGGQCRWGI-GHMZBOCLSA-N 1 0 210.277 0.373 20 30 BCEDRO CON=CC(=O)N[C@H](C)C(C)(C)C[NH+](C)C ZINC000809693258 586513359 /nfs/dbraw/zinc/51/33/59/586513359.db2.gz SAMZVNXWKRJCHS-SECBINFHSA-N 1 0 229.324 0.711 20 30 BCEDRO CON=CC(=O)N[C@H]1CC[N@H+](C)[C@H](C)C1 ZINC000809693649 586513353 /nfs/dbraw/zinc/51/33/53/586513353.db2.gz CKQMJXZQLIPMEP-BDAKNGLRSA-N 1 0 213.281 0.218 20 30 BCEDRO CON=CC(=O)N1C[C@@H]([NH+](C)C)[C@@H](SC)C1 ZINC000809737856 586515778 /nfs/dbraw/zinc/51/57/78/586515778.db2.gz NCYPYFRYUVQRRS-BDAKNGLRSA-N 1 0 245.348 0.123 20 30 BCEDRO CON=CC(=O)NCC[N@@H+]1CCC[C@H]1C ZINC000809776070 586518928 /nfs/dbraw/zinc/51/89/28/586518928.db2.gz RYRMXTGBWQOZSL-SECBINFHSA-N 1 0 213.281 0.219 20 30 BCEDRO CON=CC(=O)NC[C@H]1CCCC[N@@H+]1C1CC1 ZINC000809798066 586521202 /nfs/dbraw/zinc/52/12/02/586521202.db2.gz IEYAUACTWNWFIE-LLVKDONJSA-N 1 0 239.319 0.752 20 30 BCEDRO C#CCCCNS(=O)(=O)CC[NH+](CC)CC ZINC000810053313 586532387 /nfs/dbraw/zinc/53/23/87/586532387.db2.gz KCSARZIQZQWLMW-UHFFFAOYSA-N 1 0 246.376 0.661 20 30 BCEDRO COCCCN[NH+]=Cc1cnc(N(C)C)n1C ZINC000811647878 586562748 /nfs/dbraw/zinc/56/27/48/586562748.db2.gz FOEZALYZPBWKRK-UHFFFAOYSA-N 1 0 239.323 0.446 20 30 BCEDRO CC[C@@H](O)CNN=C1CCC[N@H+](C)CC1 ZINC000811653554 586563700 /nfs/dbraw/zinc/56/37/00/586563700.db2.gz MLACNJGZGUCQJT-LLVKDONJSA-N 1 0 213.325 0.819 20 30 BCEDRO C#CCNC(=S)N[C@H](C)C[N@@H+](C)C(C)C ZINC000811713027 586566202 /nfs/dbraw/zinc/56/62/02/586566202.db2.gz OQJMQOGJVXCPDU-SNVBAGLBSA-N 1 0 227.377 0.812 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@@H]1CCC[N@H+]1CC ZINC000812055862 586569942 /nfs/dbraw/zinc/56/99/42/586569942.db2.gz CXQMSMHTKPLVKX-MNOVXSKESA-N 1 0 223.320 0.792 20 30 BCEDRO C#CCONC(=O)c1ccc2c[nH+]cn2c1 ZINC000812786429 586584462 /nfs/dbraw/zinc/58/44/62/586584462.db2.gz JRIMZWBIVAGXDU-UHFFFAOYSA-N 1 0 215.212 0.629 20 30 BCEDRO CC[N@@H+](CC(=O)NCCC#N)C[C@H](C)OC ZINC000812909262 586588958 /nfs/dbraw/zinc/58/89/58/586588958.db2.gz TZYLDTQOKKHZSN-JTQLQIEISA-N 1 0 227.308 0.373 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCCOC1 ZINC000813818010 586606864 /nfs/dbraw/zinc/60/68/64/586606864.db2.gz IXSFZRXTWPMHSW-JTQLQIEISA-N 1 0 212.293 0.399 20 30 BCEDRO CC(C)(O)C[NH+]1CCC(=[NH+]n2cnnc2)CC1 ZINC000814212140 586617846 /nfs/dbraw/zinc/61/78/46/586617846.db2.gz FNROPMXRLJCHJE-UHFFFAOYSA-N 1 0 237.307 0.349 20 30 BCEDRO Cn1nccc1-c1ccccc1C=NNC(N)=[NH2+] ZINC000814217759 586618052 /nfs/dbraw/zinc/61/80/52/586618052.db2.gz MMTYTWGUQXTUAI-UHFFFAOYSA-N 1 0 242.286 0.904 20 30 BCEDRO CCn1ncn(N=C2C[C@@H](C)N(C3CC3)C2)c1=O ZINC000814233947 586618931 /nfs/dbraw/zinc/61/89/31/586618931.db2.gz BZZDZUWRHVVMFM-SECBINFHSA-N 1 0 249.318 0.525 20 30 BCEDRO C=C[C@H](O)C(=O)OCCC[NH+]1CCCCC1 ZINC000814547671 586624814 /nfs/dbraw/zinc/62/48/14/586624814.db2.gz FINHXHZVLCOUPE-NSHDSACASA-N 1 0 227.304 0.953 20 30 BCEDRO NC(=[NH2+])N=NC1CCCC[C@@H]1CCCO ZINC000814796860 586633072 /nfs/dbraw/zinc/63/30/72/586633072.db2.gz TYHWWILRUSVYFO-MRVPVSSYSA-N 1 0 212.297 0.788 20 30 BCEDRO C[C@@H]1C[NH+]=C(NN=C2CCCc3n[nH]cc32)N1 ZINC000814897586 586645601 /nfs/dbraw/zinc/64/56/01/586645601.db2.gz MDPQJCOAZAPKSA-SSDOTTSWSA-N 1 0 232.291 0.387 20 30 BCEDRO COC(=O)c1cc(C=NNc2ccncc2)on1 ZINC000814900315 586646138 /nfs/dbraw/zinc/64/61/38/586646138.db2.gz NJXYHJAHULZVFC-UHFFFAOYSA-N 1 0 246.226 0.724 20 30 BCEDRO CC(=[NH+]NCC(C)(C)CO)c1ccc(N)nc1 ZINC000814922595 586651539 /nfs/dbraw/zinc/65/15/39/586651539.db2.gz OZUCVXFYLNUTST-UHFFFAOYSA-N 1 0 236.319 0.996 20 30 BCEDRO C[C@@H](O)CNN=C1CCC[C@H]([NH+](C)C)C1 ZINC000814959589 586658956 /nfs/dbraw/zinc/65/89/56/586658956.db2.gz IFIYCMUHGNXFBV-KOLCDFICSA-N 1 0 213.325 0.817 20 30 BCEDRO CC[N@@H+]1CCC(=NNC[C@@H](C)O)[C@H](C)C1 ZINC000814966504 586662126 /nfs/dbraw/zinc/66/21/26/586662126.db2.gz MZRIPJKITCJYJQ-NXEZZACHSA-N 1 0 213.325 0.675 20 30 BCEDRO CC(C)[N@H+]1CC(N=Nc2cnnn2C)[C@@H](C)C1 ZINC000814979348 586662427 /nfs/dbraw/zinc/66/24/27/586662427.db2.gz HEPCBNFMRCAFPD-VIFPVBQESA-N 1 0 236.323 0.943 20 30 BCEDRO C[N@H+](CCOCCC#N)[C@@H]1CCCCNC1=O ZINC000815037664 586664624 /nfs/dbraw/zinc/66/46/24/586664624.db2.gz RSPKQDWBENKYLP-LLVKDONJSA-N 1 0 239.319 0.517 20 30 BCEDRO CC[N@H+](CC(=O)NC)[C@H]1CC[C@H](C#N)C1 ZINC000815020917 586664646 /nfs/dbraw/zinc/66/46/46/586664646.db2.gz HBPMISWGDMBEDX-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO CC(C)OC[C@@H](CO)[N@H+](C)CCOCCC#N ZINC000815101948 586666336 /nfs/dbraw/zinc/66/63/36/586666336.db2.gz DBZKQAWKFMOFQR-GFCCVEGCSA-N 1 0 244.335 0.634 20 30 BCEDRO CC(C)OC[C@H](CO)[N@H+](C)CCOCCC#N ZINC000815101949 586666612 /nfs/dbraw/zinc/66/66/12/586666612.db2.gz DBZKQAWKFMOFQR-LBPRGKRZSA-N 1 0 244.335 0.634 20 30 BCEDRO C=CCOCC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000815099725 586666780 /nfs/dbraw/zinc/66/67/80/586666780.db2.gz ZCIZMQLUNZODKU-UHFFFAOYSA-N 1 0 240.303 0.763 20 30 BCEDRO CN(CCOCCC#N)[C@H]1CC(C)(C)OC1=O ZINC000815120634 586667100 /nfs/dbraw/zinc/66/71/00/586667100.db2.gz LGMYCXOHGBAMIL-JTQLQIEISA-N 1 0 240.303 0.943 20 30 BCEDRO C#CCCN1CCO[C@@H]2CC[N@@H+](CC)C[C@@H]21 ZINC000815138801 586670009 /nfs/dbraw/zinc/67/00/09/586670009.db2.gz HVRKPWIWLMPNMM-QWHCGFSZSA-N 1 0 222.332 0.805 20 30 BCEDRO CC#CC[N@H+](C)CCCN1CCOC1=O ZINC000815282961 586677455 /nfs/dbraw/zinc/67/74/55/586677455.db2.gz FKNZVWJOMJSWSV-UHFFFAOYSA-N 1 0 210.277 0.784 20 30 BCEDRO C#CCC(CC#C)C(=O)NC1CC([NH+](C)C)C1 ZINC000816523261 586738566 /nfs/dbraw/zinc/73/85/66/586738566.db2.gz JZINMOMDGUQFBU-UHFFFAOYSA-N 1 0 232.327 0.858 20 30 BCEDRO C#CCC(C)(C)C(=O)N[C@H](CO)C[NH+](C)C ZINC000816617887 586744327 /nfs/dbraw/zinc/74/43/27/586744327.db2.gz KOQCYITZZXNBFK-JTQLQIEISA-N 1 0 226.320 0.075 20 30 BCEDRO C#CCCCC(=O)N[C@@H](CO)C[NH+]1CCCC1 ZINC000816626082 586745239 /nfs/dbraw/zinc/74/52/39/586745239.db2.gz USMCUIYEKZNQDC-GFCCVEGCSA-N 1 0 238.331 0.363 20 30 BCEDRO C#CC[C@H](CO)NC(=O)C[NH+]1CCC(C)CC1 ZINC000816672531 586754169 /nfs/dbraw/zinc/75/41/69/586754169.db2.gz CKGXKVFTXDZAMT-GFCCVEGCSA-N 1 0 238.331 0.219 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H]1[C@H](C)O[C@@H](C)[C@H]1C ZINC000859825586 589063932 /nfs/dbraw/zinc/06/39/32/589063932.db2.gz ZHNYSCVRGUSGAF-WDCWCFNPSA-N 1 0 224.304 0.137 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](CO)CC1CCC1 ZINC000816802588 586764586 /nfs/dbraw/zinc/76/45/86/586764586.db2.gz RFVLFSWKHVQDNT-LBPRGKRZSA-N 1 0 240.347 0.772 20 30 BCEDRO C=C[C@H](O)C(=O)NCCC[N@H+]1CCCC[C@H]1C ZINC000816823399 586766491 /nfs/dbraw/zinc/76/64/91/586766491.db2.gz TXPTWXYFLBDNLY-NEPJUHHUSA-N 1 0 240.347 0.914 20 30 BCEDRO C=C[C@H](O)C(=O)NCC[N@@H+](C)[C@@H](C)CC ZINC000816915605 586771311 /nfs/dbraw/zinc/77/13/11/586771311.db2.gz FDDSDCPAIMTHHU-UWVGGRQHSA-N 1 0 214.309 0.380 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1C[C@@H](O)CC[C@H]1C ZINC000817649153 586816066 /nfs/dbraw/zinc/81/60/66/586816066.db2.gz KZSZLQDGAQIXSH-MNOVXSKESA-N 1 0 226.320 0.476 20 30 BCEDRO C#CCOCCNC(=O)NC(C)(C)CC[NH3+] ZINC000817877055 586832431 /nfs/dbraw/zinc/83/24/31/586832431.db2.gz ZZQZLBQSACJRQV-UHFFFAOYSA-N 1 0 227.308 0.063 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H]1c1ccc(=O)[nH]n1 ZINC000859887063 589068591 /nfs/dbraw/zinc/06/85/91/589068591.db2.gz CHGXSOLCRDNPPM-GFCCVEGCSA-N 1 0 247.298 0.969 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCN[C@H]1C(=O)OCC ZINC000817921638 586840429 /nfs/dbraw/zinc/84/04/29/586840429.db2.gz FLPGXLLJUZVXNR-WDEREUQCSA-N 1 0 242.319 0.072 20 30 BCEDRO C=CCCOCC(=O)N1CC[C@@]2(CCC[NH2+]2)C1 ZINC000818018755 586864875 /nfs/dbraw/zinc/86/48/75/586864875.db2.gz SNBSORZUGZBJSE-ZDUSSCGKSA-N 1 0 238.331 0.934 20 30 BCEDRO C=C(CO)C(=O)NCCCCC[NH+]1CCCC1 ZINC000818338004 586887441 /nfs/dbraw/zinc/88/74/41/586887441.db2.gz WUTXMTOMFHIEDH-UHFFFAOYSA-N 1 0 240.347 0.917 20 30 BCEDRO CON=CC(=O)N1C[C@@H](C)[N@@H+](C)[C@@H](C)C1 ZINC000818625969 586908176 /nfs/dbraw/zinc/90/81/76/586908176.db2.gz AOCIMAXUKWRBNZ-DTORHVGOSA-N 1 0 213.281 0.170 20 30 BCEDRO C#CCCCNC(=O)N[C@@H]1CCCC[C@H]1[NH3+] ZINC000818653008 586908476 /nfs/dbraw/zinc/90/84/76/586908476.db2.gz QJGHGYDXYNBEJG-GHMZBOCLSA-N 1 0 223.320 0.969 20 30 BCEDRO C#CCNC(=O)CC[NH2+]Cc1ccc(F)cn1 ZINC000819167350 586934762 /nfs/dbraw/zinc/93/47/62/586934762.db2.gz APBVOXWQILHUIQ-UHFFFAOYSA-N 1 0 235.262 0.450 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)Cc1ccccc1 ZINC000819230649 586941333 /nfs/dbraw/zinc/94/13/33/586941333.db2.gz KIIRZVDBFVVUJK-AWEZNQCLSA-N 1 0 233.311 0.829 20 30 BCEDRO CC(C)OCC[C@H](O)C[NH2+]CCC#N ZINC000819269358 586945290 /nfs/dbraw/zinc/94/52/90/586945290.db2.gz GKMPHNPGPNSXCM-JTQLQIEISA-N 1 0 200.282 0.666 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C[NH2+]CCS(C)(=O)=O ZINC000819282451 586947992 /nfs/dbraw/zinc/94/79/92/586947992.db2.gz FBLRQNMWFXYQBV-MNOVXSKESA-N 1 0 247.360 0.602 20 30 BCEDRO CON(C)C(=O)CC[NH2+]Cc1ccc(C#N)cn1 ZINC000819311980 586950293 /nfs/dbraw/zinc/95/02/93/586950293.db2.gz NCFNQNYCZJSMIN-UHFFFAOYSA-N 1 0 248.286 0.453 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@@H](O)C1CC1 ZINC000819334095 586953395 /nfs/dbraw/zinc/95/33/95/586953395.db2.gz BXTKTZLNBJPUJL-GFCCVEGCSA-N 1 0 210.321 0.302 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H]1CCn2ccnc21 ZINC000819338264 586954004 /nfs/dbraw/zinc/95/40/04/586954004.db2.gz ZDBQSVIFKIUGGJ-JTQLQIEISA-N 1 0 232.287 0.057 20 30 BCEDRO C#Cc1cccc(C[NH2+]CCS(C)(=O)=O)c1 ZINC000819356631 586956309 /nfs/dbraw/zinc/95/63/09/586956309.db2.gz HQUUPHSISLXDOL-UHFFFAOYSA-N 1 0 237.324 0.802 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCN(C(=O)CC)C1 ZINC000819671416 586984774 /nfs/dbraw/zinc/98/47/74/586984774.db2.gz FEEQFLPZSITFSA-UHFFFAOYSA-N 1 0 239.319 0.143 20 30 BCEDRO CS[C@H]1CCC1=NNC1=[NH+][C@H](C)CN1 ZINC000819811812 586997377 /nfs/dbraw/zinc/99/73/77/586997377.db2.gz CMUZLUKRKCFNTP-SVRRBLITSA-N 1 0 212.322 0.805 20 30 BCEDRO CC(C)OCCNN=C1CC[NH+](CCO)CC1 ZINC000819813073 586997781 /nfs/dbraw/zinc/99/77/81/586997781.db2.gz RYBXCHCVVNMJNB-UHFFFAOYSA-N 1 0 243.351 0.445 20 30 BCEDRO CC(C)C#CC(=O)NCCN1CC[NH+](C)CC1 ZINC000820109999 587022571 /nfs/dbraw/zinc/02/25/71/587022571.db2.gz MAENIRVZWYHIEW-UHFFFAOYSA-N 1 0 237.347 0.009 20 30 BCEDRO C#CCN(CC#CC)C(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000820317327 587043094 /nfs/dbraw/zinc/04/30/94/587043094.db2.gz ALVFONODQXQLQS-ZDUSSCGKSA-N 1 0 232.327 0.813 20 30 BCEDRO C#CCN(CC#CC)C(=O)[C@@H]1CCCC[N@@H+]1C ZINC000820317940 587043644 /nfs/dbraw/zinc/04/36/44/587043644.db2.gz WVDROGKYXQSBNF-ZDUSSCGKSA-N 1 0 232.327 0.956 20 30 BCEDRO C#CCCCNC(=O)C[C@H]1CC[N@@H+](C)C1 ZINC000820346304 587044502 /nfs/dbraw/zinc/04/45/02/587044502.db2.gz FNSPUPUVHUJGSG-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[N@@H+](C)C[C@H]1C(C)C ZINC000820428687 587048255 /nfs/dbraw/zinc/04/82/55/587048255.db2.gz REZHZFPLMKVDTI-RYUDHWBXSA-N 1 0 237.347 0.990 20 30 BCEDRO C#C[C@H](C)NC(=O)N(C)[C@@H]1CC[N@H+](C)C[C@@H]1C ZINC000820427543 587048311 /nfs/dbraw/zinc/04/83/11/587048311.db2.gz IKGHTCVPASIYHZ-SDDRHHMPSA-N 1 0 237.347 0.990 20 30 BCEDRO C#C[C@H](C)NC(=O)N1CC[C@@H](C[N@@H+](C)CC)C1 ZINC000820427838 587048328 /nfs/dbraw/zinc/04/83/28/587048328.db2.gz LBHCTDWRSSAFLY-RYUDHWBXSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CC[NH2+][C@H]1CCO[C@H]1c1nc(C)no1 ZINC000860156358 589082896 /nfs/dbraw/zinc/08/28/96/589082896.db2.gz LNVOORIXNGIYFO-DTWKUNHWSA-N 1 0 207.233 0.431 20 30 BCEDRO N#C[C@H]1CC[C@@H]([N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)C1 ZINC000860166216 589084449 /nfs/dbraw/zinc/08/44/49/589084449.db2.gz HAPOTQULCSXVIO-MMWGEVLESA-N 1 0 220.272 0.783 20 30 BCEDRO N#C[C@H]1CC[C@H]([N@H+]2C[C@@H]3C(=O)OC[C@@H]3C2)C1 ZINC000860166217 589084917 /nfs/dbraw/zinc/08/49/17/589084917.db2.gz HAPOTQULCSXVIO-NAKRPEOUSA-N 1 0 220.272 0.783 20 30 BCEDRO C=CCCOCCNC(=O)C[NH+]1CCCC1 ZINC000821335519 587108333 /nfs/dbraw/zinc/10/83/33/587108333.db2.gz XNTLDSSZLAYSIP-UHFFFAOYSA-N 1 0 226.320 0.791 20 30 BCEDRO C[C@@H]1CC(NC(=O)C2(C[NH+](C)C)CC2)=NO1 ZINC000821399725 587117303 /nfs/dbraw/zinc/11/73/03/587117303.db2.gz PIWISYNVTWPFEP-MRVPVSSYSA-N 1 0 225.292 0.567 20 30 BCEDRO C#C[C@@H](CC)NC(=O)N1CC[C@@H](C[NH+](C)C)C1 ZINC000821567430 587129147 /nfs/dbraw/zinc/12/91/47/587129147.db2.gz MYLWANGKPQOWHK-RYUDHWBXSA-N 1 0 237.347 0.991 20 30 BCEDRO C#CCN(C(=O)C1(C[NH+](C)C)CC1)C1CC1 ZINC000821960749 587147614 /nfs/dbraw/zinc/14/76/14/587147614.db2.gz JVNUPRDNLOQGCY-UHFFFAOYSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@@H](NC(=O)[C@@H](C)[NH+](C)C)[C@H]1CCCO1 ZINC000822073789 587151280 /nfs/dbraw/zinc/15/12/80/587151280.db2.gz UGMXJZMRDDEEEL-GMTAPVOTSA-N 1 0 224.304 0.234 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCCC[NH+]1CCCC1 ZINC000822230140 587159147 /nfs/dbraw/zinc/15/91/47/587159147.db2.gz VUPMESKPDZJVFK-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO N#C[C@@]1(F)CCN(C(=O)C[NH+]2CCCC2)C1 ZINC000822325173 587162185 /nfs/dbraw/zinc/16/21/85/587162185.db2.gz WWCJPNNQCJHWCN-NSHDSACASA-N 1 0 225.267 0.546 20 30 BCEDRO C#CCC[N@H+]1CCC[C@@H](CS(=O)(=O)NC)C1 ZINC000860193313 589088518 /nfs/dbraw/zinc/08/85/18/589088518.db2.gz DRFIVHBVWUCVAL-LLVKDONJSA-N 1 0 244.360 0.271 20 30 BCEDRO C#CCOCCN1CCO[C@](C)(COC)C1 ZINC000860200910 589088841 /nfs/dbraw/zinc/08/88/41/589088841.db2.gz GQTLFMALVLHLGT-LBPRGKRZSA-N 1 0 227.304 0.374 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000822679408 587180966 /nfs/dbraw/zinc/18/09/66/587180966.db2.gz HSVMWFBHHVQMBN-ZDUSSCGKSA-N 1 0 245.326 0.989 20 30 BCEDRO C#CCO[C@@H](C)C(=O)NCC[N@@H+](CC)C1CC1 ZINC000823075005 587201198 /nfs/dbraw/zinc/20/11/98/587201198.db2.gz FQIUSUDKVALMFK-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH+]1CCCC1 ZINC000823121240 587203740 /nfs/dbraw/zinc/20/37/40/587203740.db2.gz QKQOCHZUBJVGAD-VXGBXAGGSA-N 1 0 238.331 0.625 20 30 BCEDRO CC[C@H]1C[N@H+](C)CCN1CCO[C@@H](C)C#N ZINC000823195132 587207418 /nfs/dbraw/zinc/20/74/18/587207418.db2.gz PMYDCZXMOGVEPS-RYUDHWBXSA-N 1 0 225.336 0.941 20 30 BCEDRO C=CCCc1noc(C[C@H](C[NH3+])OC)n1 ZINC000823264224 587212280 /nfs/dbraw/zinc/21/22/80/587212280.db2.gz RNBSLTSQSACZDU-MRVPVSSYSA-N 1 0 211.265 0.704 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@@H](C)[NH+](CC)CC ZINC000823301081 587214692 /nfs/dbraw/zinc/21/46/92/587214692.db2.gz CHANEBFBLPPFJI-VXGBXAGGSA-N 1 0 240.347 0.871 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@@H](C[NH+](C)C)C(C)C ZINC000823304800 587215197 /nfs/dbraw/zinc/21/51/97/587215197.db2.gz DASRNMZORRMMRV-NEPJUHHUSA-N 1 0 240.347 0.727 20 30 BCEDRO C#CCO[C@H](C)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000823304934 587215499 /nfs/dbraw/zinc/21/54/99/587215499.db2.gz DASRNMZORRMMRV-VXGBXAGGSA-N 1 0 240.347 0.727 20 30 BCEDRO C=CCCOCc1nc(N2CC[NH2+]CC2)no1 ZINC000823334384 587216610 /nfs/dbraw/zinc/21/66/10/587216610.db2.gz DTQOGDFPPKEFQM-UHFFFAOYSA-N 1 0 238.291 0.572 20 30 BCEDRO C#CCN(CC)C(=O)[C@@H]1CCc2nc[nH]c2C1 ZINC000823415033 587220608 /nfs/dbraw/zinc/22/06/08/587220608.db2.gz OOOWJXDNOJZZSH-SNVBAGLBSA-N 1 0 231.299 0.996 20 30 BCEDRO C#CCN(CC)C(=O)[C@H]1CCc2nc[nH]c2C1 ZINC000823415032 587220759 /nfs/dbraw/zinc/22/07/59/587220759.db2.gz OOOWJXDNOJZZSH-JTQLQIEISA-N 1 0 231.299 0.996 20 30 BCEDRO C[NH+](C)CCNC(=O)C#Cc1cccs1 ZINC000823538952 587230128 /nfs/dbraw/zinc/23/01/28/587230128.db2.gz UYURHHYRMOJBRV-UHFFFAOYSA-N 1 0 222.313 0.777 20 30 BCEDRO C#C[C@@H]1COCCN1C(=O)C[C@@H]1CC[N@@H+](C)C1 ZINC000823541484 587230790 /nfs/dbraw/zinc/23/07/90/587230790.db2.gz MNUBBDHHRNZIDF-NWDGAFQWSA-N 1 0 236.315 0.189 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@@H]1C[C@H](C)O[C@@H]1C ZINC000823737057 587238617 /nfs/dbraw/zinc/23/86/17/587238617.db2.gz RRUIBDVMOGQLDP-HBNTYKKESA-N 1 0 224.304 0.281 20 30 BCEDRO CC#CC(=O)N[C@H]1C[C@@H]([NH+]2CCCC2)C1 ZINC000824106037 587256156 /nfs/dbraw/zinc/25/61/56/587256156.db2.gz DJLNBBLQCRXJAM-PHIMTYICSA-N 1 0 206.289 0.753 20 30 BCEDRO C#CCO[C@@H](C)C(=O)N[C@H]1CCc2cncn2C1 ZINC000824116467 587256340 /nfs/dbraw/zinc/25/63/40/587256340.db2.gz LCAPACBZAARHHB-QWRGUYRKSA-N 1 0 247.298 0.352 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000824143930 587257937 /nfs/dbraw/zinc/25/79/37/587257937.db2.gz XUYAVQOXXCACIK-OUAUKWLOSA-N 1 0 247.360 0.743 20 30 BCEDRO C=C[C@@H](C)ONC(=O)C[C@@H]1CC[N@H+](C)C1 ZINC000824233561 587262154 /nfs/dbraw/zinc/26/21/54/587262154.db2.gz UFKGDUZRASVSIY-ZJUUUORDSA-N 1 0 212.293 0.951 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cncc(OC)c1 ZINC000824612879 587279555 /nfs/dbraw/zinc/27/95/55/587279555.db2.gz FILLBIOHRJHVHT-UHFFFAOYSA-N 1 0 249.314 0.824 20 30 BCEDRO C#CCCN(CCOC)C(=O)[C@@H](C)[NH+](C)C ZINC000824749006 587285626 /nfs/dbraw/zinc/28/56/26/587285626.db2.gz SKUVWGYLUOGZNK-LLVKDONJSA-N 1 0 226.320 0.435 20 30 BCEDRO C#CC[C@H]1CCN(C(=O)[C@@H](C)[NH+](C)C)C1 ZINC000824870695 587291649 /nfs/dbraw/zinc/29/16/49/587291649.db2.gz XNTOXXCLKAWAKG-MNOVXSKESA-N 1 0 208.305 0.808 20 30 BCEDRO C#CC[C@H](CCOC)NC(=O)C[NH+]1CCCC1 ZINC000825080796 587303166 /nfs/dbraw/zinc/30/31/66/587303166.db2.gz WZKFXZCFYSJRGB-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CCSCCNC(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000826008278 587348335 /nfs/dbraw/zinc/34/83/35/587348335.db2.gz DDYBYHWDIBVITR-GHMZBOCLSA-N 1 0 240.372 0.809 20 30 BCEDRO CON=CC(=O)NC[C@H]1c2ccccc2CN1C ZINC000826695960 587359175 /nfs/dbraw/zinc/35/91/75/587359175.db2.gz KUQSTILRLBZWQD-LBPRGKRZSA-N 1 0 247.298 0.922 20 30 BCEDRO C=C[C@H](O)C(=O)N1CC[C@H]2[C@@H](CC[N@H+]2C)C1 ZINC000827256392 587374373 /nfs/dbraw/zinc/37/43/73/587374373.db2.gz WGFXQCGVVAVCSQ-DCAQKATOSA-N 1 0 224.304 0.086 20 30 BCEDRO C[C@H](C#N)C(=O)N1CC[C@@H]2[C@H](CC[N@@H+]2C)C1 ZINC000827318796 587376926 /nfs/dbraw/zinc/37/69/26/587376926.db2.gz JHPXGQOEAQVLRI-GMTAPVOTSA-N 1 0 221.304 0.699 20 30 BCEDRO C=CC[N@@H+](C[C@@H](O)COCCOC)C(C)C ZINC000827438899 587381192 /nfs/dbraw/zinc/38/11/92/587381192.db2.gz XTXPXUVMWODECJ-GFCCVEGCSA-N 1 0 231.336 0.907 20 30 BCEDRO C=C[C@H](O)C(=O)NC[C@H](CC(C)C)[NH+](C)C ZINC000827488789 587382626 /nfs/dbraw/zinc/38/26/26/587382626.db2.gz LEEVLQNRHBHZAM-QWRGUYRKSA-N 1 0 228.336 0.626 20 30 BCEDRO CON=CC(=O)N1CC[N@H+](C)[C@@H](C(C)C)C1 ZINC000827491319 587382766 /nfs/dbraw/zinc/38/27/66/587382766.db2.gz NXSTYZKCRKTUAX-SNVBAGLBSA-N 1 0 227.308 0.417 20 30 BCEDRO C#C[C@H]([NH2+]Cc1cnnn1CC)C1CCOCC1 ZINC000827554219 587387666 /nfs/dbraw/zinc/38/76/66/587387666.db2.gz AZBPXTSOSZWFMS-ZDUSSCGKSA-N 1 0 248.330 0.816 20 30 BCEDRO C#C[C@@H]([NH2+]Cc1cnnn1C)C1CCOCC1 ZINC000827564618 587388600 /nfs/dbraw/zinc/38/86/00/587388600.db2.gz DVGHOSMSKNGRLD-GFCCVEGCSA-N 1 0 234.303 0.333 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCOC1)C1CCOCC1 ZINC000827565552 587389044 /nfs/dbraw/zinc/38/90/44/587389044.db2.gz MXCIJHMFQZXQLC-NEPJUHHUSA-N 1 0 209.289 0.793 20 30 BCEDRO C=C[C@@H](CC)CC(=O)NCC[N@@H+]1CC[C@H](O)C1 ZINC000827749800 587401139 /nfs/dbraw/zinc/40/11/39/587401139.db2.gz QJUABPKYZLATLC-RYUDHWBXSA-N 1 0 240.347 0.772 20 30 BCEDRO CC(C)C1(C(=O)NCC#CC[NH+](C)C)COC1 ZINC000827971647 587413849 /nfs/dbraw/zinc/41/38/49/587413849.db2.gz CSRLTCRRRYWKPK-UHFFFAOYSA-N 1 0 238.331 0.340 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)c1cncc(C=O)c1 ZINC000827971830 587413995 /nfs/dbraw/zinc/41/39/95/587413995.db2.gz IWXVDNYFCRYWDX-UHFFFAOYSA-N 1 0 245.282 0.189 20 30 BCEDRO C=C(Cl)CNC(=O)C1([NH+](C)C)CC1 ZINC000828213932 587424563 /nfs/dbraw/zinc/42/45/63/587424563.db2.gz RWKOAGKRLKIKQS-UHFFFAOYSA-N 1 0 202.685 0.949 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H](C)c1ccnn1C ZINC000828921361 587472024 /nfs/dbraw/zinc/47/20/24/587472024.db2.gz DBHUJEBGUTWQPO-SNVBAGLBSA-N 1 0 236.319 0.715 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@](C)(O)C(C)=O)[C@H]1CCCO1 ZINC000828954887 587475428 /nfs/dbraw/zinc/47/54/28/587475428.db2.gz YBWZIBIAORNGFN-QJPTWQEYSA-N 1 0 225.288 0.097 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H](c2cccnc2)C1 ZINC000829500425 587500669 /nfs/dbraw/zinc/50/06/69/587500669.db2.gz LOOIUAMBKPKTID-CYBMUJFWSA-N 1 0 243.310 0.620 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@H](c2cccnc2)C1 ZINC000829500427 587500807 /nfs/dbraw/zinc/50/08/07/587500807.db2.gz LOOIUAMBKPKTID-ZDUSSCGKSA-N 1 0 243.310 0.620 20 30 BCEDRO C[NH+](C)CC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000829511864 587501588 /nfs/dbraw/zinc/50/15/88/587501588.db2.gz AMEYIRFLACPIEK-CYBMUJFWSA-N 1 0 243.310 0.703 20 30 BCEDRO C#CCN1CCC[C@@H](NC(=O)[C@@](C)(O)CC)C1 ZINC000829583126 587504363 /nfs/dbraw/zinc/50/43/63/587504363.db2.gz WHADNLSLDKCLMH-YPMHNXCESA-N 1 0 238.331 0.361 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000829779320 587515491 /nfs/dbraw/zinc/51/54/91/587515491.db2.gz QLOWBTDMWXXAFN-KBPBESRZSA-N 1 0 247.342 0.979 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CC2(CO)COC2)C1 ZINC000829789507 587516725 /nfs/dbraw/zinc/51/67/25/587516725.db2.gz XENXHGJXCZQGMJ-GFCCVEGCSA-N 1 0 223.316 0.731 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H]2CCC(=O)NC2=O)C1 ZINC000829810049 587518324 /nfs/dbraw/zinc/51/83/24/587518324.db2.gz LAWQBPQSEZCZCM-GHMZBOCLSA-N 1 0 234.299 0.527 20 30 BCEDRO C#CCNC(=O)CC[N@@H+]1CCC[C@H](CC#C)C1 ZINC000829815272 587519947 /nfs/dbraw/zinc/51/99/47/587519947.db2.gz IOQXWIVKQSSPEI-ZDUSSCGKSA-N 1 0 232.327 0.861 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@H]2CCOC2)CC1 ZINC000830162610 587539840 /nfs/dbraw/zinc/53/98/40/587539840.db2.gz MFHCIXUQSHKJOF-NSHDSACASA-N 1 0 236.315 0.237 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[NH+]2CCC1CC2 ZINC000830156733 587539936 /nfs/dbraw/zinc/53/99/36/587539936.db2.gz XEYYELBKDVJWOL-LLVKDONJSA-N 1 0 236.315 0.331 20 30 BCEDRO C#CCC[N@H+]1C[C@H](C(=O)OCC)C2(COC2)C1 ZINC000830274425 587544826 /nfs/dbraw/zinc/54/48/26/587544826.db2.gz MHPLBWCPQMJWJI-LLVKDONJSA-N 1 0 237.299 0.521 20 30 BCEDRO C#CC1CC[NH+](CC(=O)NCCCOC)CC1 ZINC000830305787 587545457 /nfs/dbraw/zinc/54/54/57/587545457.db2.gz VDBSTSYNWVXADT-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CC1CC[NH+](C[C@H](O)COCC)CC1 ZINC000830321243 587545905 /nfs/dbraw/zinc/54/59/05/587545905.db2.gz CFNOSHGMSHHNJY-LBPRGKRZSA-N 1 0 211.305 0.729 20 30 BCEDRO C=C(Br)Cn1nnnc1C[NH3+] ZINC000830463942 587552424 /nfs/dbraw/zinc/55/24/24/587552424.db2.gz XWGGBKWFLWEZLZ-UHFFFAOYSA-N 1 0 218.058 0.040 20 30 BCEDRO COCC#CCN1CC[C@H](OC(=O)N(C)C)C1 ZINC000830509507 587555127 /nfs/dbraw/zinc/55/51/27/587555127.db2.gz KMOQVEYVMMHLSC-NSHDSACASA-N 1 0 240.303 0.409 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H](C)[C@H]1CO ZINC000830708916 587564801 /nfs/dbraw/zinc/56/48/01/587564801.db2.gz YSQMNCMFCQBTGO-GXSJLCMTSA-N 1 0 226.320 0.334 20 30 BCEDRO CC[N@H+](CCSC)CC(=O)NCCC#N ZINC000830993721 587580680 /nfs/dbraw/zinc/58/06/80/587580680.db2.gz AMDVLUSFWJZFJL-UHFFFAOYSA-N 1 0 229.349 0.701 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1C[C@@H]2[C@@H]3C=C[C@@H](C3)[C@]2(C)C1 ZINC000831000764 587581530 /nfs/dbraw/zinc/58/15/30/587581530.db2.gz FPQPEAWFEVRDSB-COMQUAJESA-N 1 0 244.338 0.880 20 30 BCEDRO C#C[C@@H](NC(=O)N[C@@]1(C)CC[NH2+]C1)C(C)C ZINC000831088230 587585670 /nfs/dbraw/zinc/58/56/70/587585670.db2.gz ULYVKWPCEVCDCV-PWSUYJOCSA-N 1 0 223.320 0.695 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1C[C@@H]2C[N@@H+](C)C[C@@H]2C1 ZINC000831280086 587595156 /nfs/dbraw/zinc/59/51/56/587595156.db2.gz DCHCFGLUOATPAU-UTUOFQBUSA-N 1 0 236.315 0.045 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCO[C@H](C(F)F)C1 ZINC000832211933 587649729 /nfs/dbraw/zinc/64/97/29/587649729.db2.gz JETAIFFOVSBVPX-VIFPVBQESA-N 1 0 248.273 0.597 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@]2(CCOC2)C1 ZINC000832332322 587654758 /nfs/dbraw/zinc/65/47/58/587654758.db2.gz IFAOSKRXUUEUAX-ZDUSSCGKSA-N 1 0 236.315 0.238 20 30 BCEDRO C[NH+](C)[C@@H]1CCC[C@H]1NC(=O)C#CC1CC1 ZINC000832491599 587662958 /nfs/dbraw/zinc/66/29/58/587662958.db2.gz YUAPTDQAOARBPO-VXGBXAGGSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CCC(CC#C)C(=O)N1CC[C@@H]2C[N@@H+](C)C[C@H]21 ZINC000832690706 587677617 /nfs/dbraw/zinc/67/76/17/587677617.db2.gz JRCDXMXYIAJMLU-ZIAGYGMSSA-N 1 0 244.338 0.812 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1CC[C@@H]2C[N@H+](C)C[C@H]21 ZINC000832697892 587678390 /nfs/dbraw/zinc/67/83/90/587678390.db2.gz JKQWVXHKTZYMOZ-IJLUTSLNSA-N 1 0 236.315 0.187 20 30 BCEDRO CC(C)C#CC(=O)NCC[N@@H+]1CCCOCC1 ZINC000832706843 587678685 /nfs/dbraw/zinc/67/86/85/587678685.db2.gz AIEBDHZDWFRXGK-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C=C[C@@H](O)C(=O)N(CCC)CCC[NH+](C)C ZINC000832826993 587692830 /nfs/dbraw/zinc/69/28/30/587692830.db2.gz HVKCIZAHBVFDDZ-LLVKDONJSA-N 1 0 228.336 0.724 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](CC)CO ZINC000833790183 587731793 /nfs/dbraw/zinc/73/17/93/587731793.db2.gz ISWNKLSRLNFZMD-SNVBAGLBSA-N 1 0 214.309 0.334 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@H]1CCOC1(C)C ZINC000834002380 587742161 /nfs/dbraw/zinc/74/21/61/587742161.db2.gz UXSGMXOJHUNHMA-JTQLQIEISA-N 1 0 226.320 0.788 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H](CO)[C@@H]1CC ZINC000834094786 587745020 /nfs/dbraw/zinc/74/50/20/587745020.db2.gz SENWADFTVYRQHQ-RYUDHWBXSA-N 1 0 240.347 0.724 20 30 BCEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)C(F)(F)F ZINC000834479577 587755571 /nfs/dbraw/zinc/75/55/71/587755571.db2.gz GGCMCORXDUXTSZ-QYNIQEEDSA-N 1 0 235.209 0.413 20 30 BCEDRO CO[C@H](C)CCC(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834500339 587755965 /nfs/dbraw/zinc/75/59/65/587755965.db2.gz SENPHXQEOLARSK-UTLUCORTSA-N 1 0 225.292 0.029 20 30 BCEDRO Cc1nc(C)c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)o1 ZINC000834479251 587756017 /nfs/dbraw/zinc/75/60/17/587756017.db2.gz BOBRMHUDUFEIHH-IUCAKERBSA-N 1 0 234.259 0.133 20 30 BCEDRO CCc1oc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1C ZINC000834480028 587756248 /nfs/dbraw/zinc/75/62/48/587756248.db2.gz KKSZFYUJUPSPPJ-UWVGGRQHSA-N 1 0 247.298 0.992 20 30 BCEDRO C=CCC(CC=C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000834479357 587756294 /nfs/dbraw/zinc/75/62/94/587756294.db2.gz DJFMJCWMPKVWAO-NEPJUHHUSA-N 1 0 233.315 0.983 20 30 BCEDRO Cc1cccnc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834479234 587756296 /nfs/dbraw/zinc/75/62/96/587756296.db2.gz BHPVJTOUNFWITO-UWVGGRQHSA-N 1 0 230.271 0.231 20 30 BCEDRO CCCC1(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000834481053 587756321 /nfs/dbraw/zinc/75/63/21/587756321.db2.gz ZNKANIHVGHEIJV-NXEZZACHSA-N 1 0 221.304 0.794 20 30 BCEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)C(C)(C)C ZINC000834488739 587756587 /nfs/dbraw/zinc/75/65/87/587756587.db2.gz GIJZMYQTAFVURO-BBBLOLIVSA-N 1 0 223.320 0.896 20 30 BCEDRO CC(Cl)(Cl)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834485320 587756609 /nfs/dbraw/zinc/75/66/09/587756609.db2.gz VGRNSTFSWIAFBE-PHDIDXHHSA-N 1 0 236.102 0.408 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1CC12CC2 ZINC000834485247 587756722 /nfs/dbraw/zinc/75/67/22/587756722.db2.gz UCFJRBMUOSQJTC-HRDYMLBCSA-N 1 0 205.261 0.014 20 30 BCEDRO CC(Cl)(Cl)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834485322 587756757 /nfs/dbraw/zinc/75/67/57/587756757.db2.gz VGRNSTFSWIAFBE-WDSKDSINSA-N 1 0 236.102 0.408 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccncc1F ZINC000834488437 587756794 /nfs/dbraw/zinc/75/67/94/587756794.db2.gz CJNAVNJKTKPRNU-XVKPBYJWSA-N 1 0 234.234 0.062 20 30 BCEDRO Cc1ccc(N)cc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834484831 587756837 /nfs/dbraw/zinc/75/68/37/587756837.db2.gz OADVZWDOQWKPJH-CABZTGNLSA-N 1 0 244.298 0.419 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)Cc1ccccc1O ZINC000834493375 587756991 /nfs/dbraw/zinc/75/69/91/587756991.db2.gz DEJWDCIHVVIZQE-GHMZBOCLSA-N 1 0 245.282 0.162 20 30 BCEDRO C[C@H](OCC1CC1)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834493390 587757075 /nfs/dbraw/zinc/75/70/75/587757075.db2.gz DFPGFMWTQBHKOU-INTQDDNPSA-N 1 0 237.303 0.029 20 30 BCEDRO CC(C)n1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000834488947 587757104 /nfs/dbraw/zinc/75/71/04/587757104.db2.gz HWOHOMLTPLYIQN-ONGXEEELSA-N 1 0 247.302 0.305 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)[C@@H]1Cc2ccccc21 ZINC000834489687 587757125 /nfs/dbraw/zinc/75/71/25/587757125.db2.gz OPOYKPSZWLIHKB-RAIGVLPGSA-N 1 0 241.294 0.554 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c(C)n1 ZINC000834493894 587757140 /nfs/dbraw/zinc/75/71/40/587757140.db2.gz ILUYLLDUQQRGCA-JQWIXIFHSA-N 1 0 244.298 0.540 20 30 BCEDRO CC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CCOCC1 ZINC000834494109 587757201 /nfs/dbraw/zinc/75/72/01/587757201.db2.gz KGABZBPQESANHQ-ZJUUUORDSA-N 1 0 237.303 0.031 20 30 BCEDRO CCc1ocnc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834489212 587757204 /nfs/dbraw/zinc/75/72/04/587757204.db2.gz KSYRRDHIAMJERF-JGVFFNPUSA-N 1 0 234.259 0.078 20 30 BCEDRO CC1(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)CCOCC1 ZINC000834494108 587757210 /nfs/dbraw/zinc/75/72/10/587757210.db2.gz KGABZBPQESANHQ-VHSXEESVSA-N 1 0 237.303 0.031 20 30 BCEDRO Cc1ncc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)s1 ZINC000834494681 587757395 /nfs/dbraw/zinc/75/73/95/587757395.db2.gz OVFTVVGMACWJJF-HTQZYQBOSA-N 1 0 236.300 0.293 20 30 BCEDRO COCCCCC(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834494237 587757397 /nfs/dbraw/zinc/75/73/97/587757397.db2.gz LXJBMKXPMOAJEG-VHSXEESVSA-N 1 0 225.292 0.031 20 30 BCEDRO Cc1ccc(F)c(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c1 ZINC000834495814 587757415 /nfs/dbraw/zinc/75/74/15/587757415.db2.gz ZWOKMYNGHUGWDX-BXKDBHETSA-N 1 0 247.273 0.976 20 30 BCEDRO CC(=O)c1ccc(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)o1 ZINC000834499492 587757455 /nfs/dbraw/zinc/75/74/55/587757455.db2.gz IVBZCAXDZRHOII-DTWKUNHWSA-N 1 0 247.254 0.324 20 30 BCEDRO COCCCCC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834494235 587757515 /nfs/dbraw/zinc/75/75/15/587757515.db2.gz LXJBMKXPMOAJEG-NXEZZACHSA-N 1 0 225.292 0.031 20 30 BCEDRO CCCCO[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000834495432 587757562 /nfs/dbraw/zinc/75/75/62/587757562.db2.gz VOJTVWPQLAHOCZ-GMTAPVOTSA-N 1 0 239.319 0.419 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccc(F)cc1 ZINC000834505732 587757738 /nfs/dbraw/zinc/75/77/38/587757738.db2.gz NHFYMKFFYKOLNU-KOLCDFICSA-N 1 0 233.246 0.667 20 30 BCEDRO CCCn1cc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cn1 ZINC000834500134 587757998 /nfs/dbraw/zinc/75/79/98/587757998.db2.gz QLGMAIRDNADRPV-ONGXEEELSA-N 1 0 247.302 0.134 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)CCc1ccsc1 ZINC000834510842 587758062 /nfs/dbraw/zinc/75/80/62/587758062.db2.gz FWAVOCARTSZNON-WDEREUQCSA-N 1 0 249.339 0.908 20 30 BCEDRO Cc1occc1C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000834512052 587758210 /nfs/dbraw/zinc/75/82/10/587758210.db2.gz RIIQMJJTRXWEIO-WPRPVWTQSA-N 1 0 219.244 0.429 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1cccc(F)c1 ZINC000834511206 587758278 /nfs/dbraw/zinc/75/82/78/587758278.db2.gz JKDXTKZOPWCPLR-ONGXEEELSA-N 1 0 233.246 0.667 20 30 BCEDRO CCOCC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC1 ZINC000834506310 587758306 /nfs/dbraw/zinc/75/83/06/587758306.db2.gz RVWBIGXMXPTCGK-ZJUUUORDSA-N 1 0 237.303 0.031 20 30 BCEDRO Cc1ccc(CC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1 ZINC000834511150 587758338 /nfs/dbraw/zinc/75/83/38/587758338.db2.gz ISOUVPBMGCAYPY-STQMWFEESA-N 1 0 243.310 0.765 20 30 BCEDRO Cc1ccc(O)c(C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834506208 587758340 /nfs/dbraw/zinc/75/83/40/587758340.db2.gz QSICHWGBIWHEQE-GXSJLCMTSA-N 1 0 245.282 0.542 20 30 BCEDRO Cc1ccc(O)c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000834506211 587758379 /nfs/dbraw/zinc/75/83/79/587758379.db2.gz QSICHWGBIWHEQE-ONGXEEELSA-N 1 0 245.282 0.542 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccc(Cl)o1 ZINC000834517711 587758498 /nfs/dbraw/zinc/75/84/98/587758498.db2.gz YMFOAKOMSPVLIX-NKWVEPMBSA-N 1 0 239.662 0.774 20 30 BCEDRO Cc1ccc(F)cc1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000834517113 587758556 /nfs/dbraw/zinc/75/85/56/587758556.db2.gz QJJXWDOBIUYJHQ-JOYOIKCWSA-N 1 0 247.273 0.976 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)CC[C@@H]1CCCO1 ZINC000834515741 587758596 /nfs/dbraw/zinc/75/85/96/587758596.db2.gz BJCTTWCFQYNBCQ-OUAUKWLOSA-N 1 0 237.303 0.173 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=C2CCc3cccc(O)c32)N1 ZINC000834968842 587773892 /nfs/dbraw/zinc/77/38/92/587773892.db2.gz ASIKHFTXAQCIBK-QMMMGPOBSA-N 1 0 244.298 0.980 20 30 BCEDRO C[C@@H]1CNC(NN=C2C[C@@H](C)O[C@H]2C)=[NH+]1 ZINC000834969916 587774065 /nfs/dbraw/zinc/77/40/65/587774065.db2.gz JRCOJQFQWIMGLD-PRJMDXOYSA-N 1 0 210.281 0.477 20 30 BCEDRO C[C@@H]1CNC(NN=C2C[C@@H](C)O[C@@H]2C)=[NH+]1 ZINC000834969909 587774203 /nfs/dbraw/zinc/77/42/03/587774203.db2.gz JRCOJQFQWIMGLD-BWZBUEFSSA-N 1 0 210.281 0.477 20 30 BCEDRO CCn1cccc1C=NNC1=[NH+]C[C@H](C)N1 ZINC000834970699 587774392 /nfs/dbraw/zinc/77/43/92/587774392.db2.gz PHOJDJZAHZEEGA-VIFPVBQESA-N 1 0 219.292 0.779 20 30 BCEDRO CC[C@H]1C[N@H+](CC)CCN1C(=O)C=NOC ZINC000836950487 587843660 /nfs/dbraw/zinc/84/36/60/587843660.db2.gz ZLOZWIPKUZTCFJ-JTQLQIEISA-N 1 0 227.308 0.561 20 30 BCEDRO C#Cc1cccc(CNC(=O)C[NH+](C)C)c1 ZINC000837105549 587854208 /nfs/dbraw/zinc/85/42/08/587854208.db2.gz DHMSGEFICMWJGN-UHFFFAOYSA-N 1 0 216.284 0.846 20 30 BCEDRO CON=CC(=O)NCCCC[N@H+](C)C1CC1 ZINC000837227158 587860110 /nfs/dbraw/zinc/86/01/10/587860110.db2.gz OKWYWUPQZNIYGQ-UHFFFAOYSA-N 1 0 227.308 0.609 20 30 BCEDRO CN(CC[NH+]1CCCC1)C(=O)C#CC1CC1 ZINC000837394457 587870351 /nfs/dbraw/zinc/87/03/51/587870351.db2.gz FHMOVMHJMXDFLD-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO COCCC[N@H+](C)CCNC(=O)C#CC1CC1 ZINC000837437638 587872623 /nfs/dbraw/zinc/87/26/23/587872623.db2.gz JHBFRMIOTKHAFG-UHFFFAOYSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCO[C@H](C)C(=O)OCC[NH+](CC)CC ZINC000837843305 587899576 /nfs/dbraw/zinc/89/95/76/587899576.db2.gz PGMDSGALYYEGED-LLVKDONJSA-N 1 0 227.304 0.910 20 30 BCEDRO C#CCOCC[NH2+][C@@H](C)c1ccn(C)n1 ZINC000840745769 587919694 /nfs/dbraw/zinc/91/96/94/587919694.db2.gz OVVKPRKJRIDWBB-JTQLQIEISA-N 1 0 207.277 0.721 20 30 BCEDRO C#CCNC(=S)N1CC[NH+]([C@@H](C)CC)CC1 ZINC000840815380 587923187 /nfs/dbraw/zinc/92/31/87/587923187.db2.gz KDQWOGWTZQDGTD-NSHDSACASA-N 1 0 239.388 0.910 20 30 BCEDRO Cc1cc(NC(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)ccn1 ZINC000841166226 587948034 /nfs/dbraw/zinc/94/80/34/587948034.db2.gz MBDYIGABUZQRNP-MWLCHTKSSA-N 1 0 245.286 0.045 20 30 BCEDRO Cc1cccc(NC(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)n1 ZINC000841182350 587948220 /nfs/dbraw/zinc/94/82/20/587948220.db2.gz KYEPMQIBBQYBEB-UWVGGRQHSA-N 1 0 245.286 0.623 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@H]1CC1(F)F ZINC000841632848 587962760 /nfs/dbraw/zinc/96/27/60/587962760.db2.gz HNWXWVAICWWKEU-IYSWYEEDSA-N 1 0 216.235 0.955 20 30 BCEDRO CC(=NNC1=[NH+][C@H](C)CN1)[C@@H]1CC1(F)F ZINC000841632851 587963057 /nfs/dbraw/zinc/96/30/57/587963057.db2.gz HNWXWVAICWWKEU-VDTYLAMSSA-N 1 0 216.235 0.955 20 30 BCEDRO C[C@@H](O)CN(C)N=C1CC[N@@H+]2CCC[C@H]12 ZINC000841649338 587966797 /nfs/dbraw/zinc/96/67/97/587966797.db2.gz GIKVFOBXEGKOHQ-MWLCHTKSSA-N 1 0 211.309 0.523 20 30 BCEDRO Oc1cccc2c1CCC2=NNC1=[NH+]CCN1 ZINC000841658610 587968807 /nfs/dbraw/zinc/96/88/07/587968807.db2.gz GPJGIUAGNLIXNS-UHFFFAOYSA-N 1 0 230.271 0.591 20 30 BCEDRO CCCn1cccc1C=NNC1=[NH+]CCN1 ZINC000841659202 587969423 /nfs/dbraw/zinc/96/94/23/587969423.db2.gz NEIFXOCFTHOZSK-UHFFFAOYSA-N 1 0 219.292 0.781 20 30 BCEDRO COc1cc(C)ccc1C=NNC1=[NH+]CCN1 ZINC000841661448 587970015 /nfs/dbraw/zinc/97/00/15/587970015.db2.gz XPVDNZIABDJEEE-UHFFFAOYSA-N 1 0 232.287 0.886 20 30 BCEDRO COc1cccc(OC)c1C=NNC1=[NH+]CCN1 ZINC000841662584 587970701 /nfs/dbraw/zinc/97/07/01/587970701.db2.gz ZBBJPEKPKJHNSE-UHFFFAOYSA-N 1 0 248.286 0.587 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1ccc2c(c1)OCO2 ZINC000841663197 587970739 /nfs/dbraw/zinc/97/07/39/587970739.db2.gz VERVOTAHGOPUHV-UHFFFAOYSA-N 1 0 246.270 0.688 20 30 BCEDRO C=C(Br)CNC(=O)N[C@@H](C)C[NH3+] ZINC000841746282 587973516 /nfs/dbraw/zinc/97/35/16/587973516.db2.gz XPEIGRVNCBZZJV-LURJTMIESA-N 1 0 236.113 0.541 20 30 BCEDRO C#CCSCCNC(=O)N(C)C1CC([NH3+])C1 ZINC000841833044 587976706 /nfs/dbraw/zinc/97/67/06/587976706.db2.gz YJVGZWWELNMMLF-UHFFFAOYSA-N 1 0 241.360 0.484 20 30 BCEDRO C#CCSCCNC(=O)N(C)[C@H](C)C[NH3+] ZINC000841833045 587976822 /nfs/dbraw/zinc/97/68/22/587976822.db2.gz YJVWTCUFBKDVCQ-SECBINFHSA-N 1 0 229.349 0.341 20 30 BCEDRO C#CCCCCNC(=O)NC[C@H]([NH3+])C1CC1 ZINC000841860818 587978700 /nfs/dbraw/zinc/97/87/00/587978700.db2.gz PNQJAKWFCQUZKK-NSHDSACASA-N 1 0 223.320 0.826 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C)[C@@H](C)[NH3+])[C@H]1CCCO1 ZINC000841879214 587979723 /nfs/dbraw/zinc/97/97/23/587979723.db2.gz LVGBLWFZRGOLDT-CHWFTXMASA-N 1 0 239.319 0.202 20 30 BCEDRO C#CCCCNC(=O)NCCC[NH2+]C1CC1 ZINC000841885202 587980705 /nfs/dbraw/zinc/98/07/05/587980705.db2.gz HECKHDLAWHSKNN-UHFFFAOYSA-N 1 0 223.320 0.841 20 30 BCEDRO C#CCCCNC(=O)N1CCC[C@H]([NH2+]C)C1 ZINC000841885310 587981010 /nfs/dbraw/zinc/98/10/10/587981010.db2.gz IJMHYUBUXJXYKN-NSHDSACASA-N 1 0 223.320 0.793 20 30 BCEDRO C#CC[C@@H](Cc1ccccc1)NC(=O)NCC[NH3+] ZINC000841901094 587982712 /nfs/dbraw/zinc/98/27/12/587982712.db2.gz FJSRQEHBCWDPON-ZDUSSCGKSA-N 1 0 245.326 0.879 20 30 BCEDRO C=CCONC(=O)N1CCC[C@@H]([NH2+]C)C1 ZINC000841913230 587984951 /nfs/dbraw/zinc/98/49/51/587984951.db2.gz LDYUXUPYQRYEFT-SECBINFHSA-N 1 0 213.281 0.497 20 30 BCEDRO C#Cc1ccc(CNC(=O)N2CC[NH2+]CC2)cc1 ZINC000841908848 587983883 /nfs/dbraw/zinc/98/38/83/587983883.db2.gz VFVMMIOXXAVHIK-UHFFFAOYSA-N 1 0 243.310 0.783 20 30 BCEDRO C=CCONC(=O)N1CCC2(C1)CC[NH2+]CC2 ZINC000841912889 587984690 /nfs/dbraw/zinc/98/46/90/587984690.db2.gz CYDMOANJPXXQSW-UHFFFAOYSA-N 1 0 239.319 0.889 20 30 BCEDRO C=CCONC(=O)N1CC[NH2+]C[C@H]1CCC ZINC000841914083 587984749 /nfs/dbraw/zinc/98/47/49/587984749.db2.gz YQYGWVXFPZGGKN-SNVBAGLBSA-N 1 0 227.308 0.888 20 30 BCEDRO C#Cc1cccc(CNC(=O)NC[C@H](C)[NH3+])c1 ZINC000841913104 587984872 /nfs/dbraw/zinc/98/48/72/587984872.db2.gz ILMMVYMMHCOMFB-JTQLQIEISA-N 1 0 231.299 0.814 20 30 BCEDRO C=CCONC(=O)N1CC[C@@H]([NH3+])[C@H](CC)C1 ZINC000841913301 587984960 /nfs/dbraw/zinc/98/49/60/587984960.db2.gz LZLRPOODVWARRE-NXEZZACHSA-N 1 0 227.308 0.873 20 30 BCEDRO C#CCCNC(=O)NCC1([NH3+])CCCCC1 ZINC000841922997 587985251 /nfs/dbraw/zinc/98/52/51/587985251.db2.gz TTZCUYWCDFYINE-UHFFFAOYSA-N 1 0 223.320 0.971 20 30 BCEDRO C#CCCNC(=O)NCCC[NH2+]C1CC1 ZINC000841920288 587985307 /nfs/dbraw/zinc/98/53/07/587985307.db2.gz TVQVLKPRFSOKOT-UHFFFAOYSA-N 1 0 209.293 0.451 20 30 BCEDRO C#C[C@@H](C)NC(=O)NC[C@H]1CCCC[NH2+]1 ZINC000841922691 587985352 /nfs/dbraw/zinc/98/53/52/587985352.db2.gz RMCXWOSAUCFZMD-NXEZZACHSA-N 1 0 209.293 0.449 20 30 BCEDRO C#CCCNC(=O)N[C@@H]1CCCC[C@@H]1C[NH3+] ZINC000841947710 587986135 /nfs/dbraw/zinc/98/61/35/587986135.db2.gz HCQZLSTXNOHCED-GHMZBOCLSA-N 1 0 223.320 0.826 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC1(C)CC[NH2+]CC1 ZINC000841970231 587987130 /nfs/dbraw/zinc/98/71/30/587987130.db2.gz SDXFWGCSVDGJHQ-JTQLQIEISA-N 1 0 223.320 0.697 20 30 BCEDRO C=C(Cl)CNC(=O)NCC[NH2+]CCOC ZINC000841967681 587987444 /nfs/dbraw/zinc/98/74/44/587987444.db2.gz FEKXZCKGIVEANA-UHFFFAOYSA-N 1 0 235.715 0.274 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CC[C@@H]1C ZINC000841976488 587987661 /nfs/dbraw/zinc/98/76/61/587987661.db2.gz MDZQHRVBPHTGEI-LPEHRKFASA-N 1 0 209.293 0.305 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CCC[C@@H]([NH3+])C1 ZINC000841980741 587987765 /nfs/dbraw/zinc/98/77/65/587987765.db2.gz FAXIAPWGVUTYQG-OLZOCXBDSA-N 1 0 247.342 0.924 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1C[NH2+]CCC1(F)F ZINC000842005273 587988437 /nfs/dbraw/zinc/98/84/37/587988437.db2.gz RLLIHJPKUYYVQA-JGVFFNPUSA-N 1 0 231.246 0.305 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H](C)CCCC[NH3+] ZINC000841997000 587988511 /nfs/dbraw/zinc/98/85/11/587988511.db2.gz FSMLEWVUQVEVAF-VHSXEESVSA-N 1 0 211.309 0.825 20 30 BCEDRO C#CCCNC(=O)NC[C@]1(COC)CCC[NH2+]1 ZINC000841995010 587988665 /nfs/dbraw/zinc/98/86/65/587988665.db2.gz GSDBRSKFERDIHC-LBPRGKRZSA-N 1 0 239.319 0.078 20 30 BCEDRO C=CCNC(=O)N1C[C@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000842170823 588006095 /nfs/dbraw/zinc/00/60/95/588006095.db2.gz CVTLSROURIUCQD-QWRGUYRKSA-N 1 0 241.335 0.269 20 30 BCEDRO C=CCNC(=O)N1C[C@@H](C)[N@@H+](CCO)C[C@@H]1C ZINC000842170822 588006417 /nfs/dbraw/zinc/00/64/17/588006417.db2.gz CVTLSROURIUCQD-MNOVXSKESA-N 1 0 241.335 0.269 20 30 BCEDRO CCN(CCO)N=C1CC[N@@H+]2CCC[C@H]12 ZINC000842536868 588035998 /nfs/dbraw/zinc/03/59/98/588035998.db2.gz CNGYDCOFUFSLHE-LLVKDONJSA-N 1 0 211.309 0.525 20 30 BCEDRO CCN(CCO)N=C1C[C@H](C)N(C2CC2)C1 ZINC000842537993 588036446 /nfs/dbraw/zinc/03/64/46/588036446.db2.gz FICLSDQBSITASQ-JTQLQIEISA-N 1 0 225.336 0.913 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CO[C@@H](C)C1)[C@@H]1CCCO1 ZINC000842700294 588054167 /nfs/dbraw/zinc/05/41/67/588054167.db2.gz WWXKLZVGHIABKV-BJDJZHNGSA-N 1 0 209.289 0.934 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)CCOC(C)C ZINC000843102753 588081451 /nfs/dbraw/zinc/08/14/51/588081451.db2.gz YXYSEKALNPBPGW-CHWSQXEVSA-N 1 0 243.347 0.526 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](O)CCOCC ZINC000843103051 588081745 /nfs/dbraw/zinc/08/17/45/588081745.db2.gz YCTOMHCJKBFPSH-NEPJUHHUSA-N 1 0 229.320 0.138 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@@H](C#N)CCC#N ZINC000843102078 588081861 /nfs/dbraw/zinc/08/18/61/588081861.db2.gz SUOWYUUDGUNIDZ-VXGBXAGGSA-N 1 0 219.288 0.794 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+]([C@H]2CC(=O)N(C)C2=O)C1 ZINC000843269303 588096362 /nfs/dbraw/zinc/09/63/62/588096362.db2.gz MRGWPOMKVMDIQX-QWRGUYRKSA-N 1 0 234.299 0.479 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+]([C@@H]2CC(=O)N(C)C2=O)C1 ZINC000843269296 588096704 /nfs/dbraw/zinc/09/67/04/588096704.db2.gz MRGWPOMKVMDIQX-GHMZBOCLSA-N 1 0 234.299 0.479 20 30 BCEDRO C[NH2+]CCNC(=O)c1ccc(C=NOC)cc1 ZINC000843331868 588100358 /nfs/dbraw/zinc/10/03/58/588100358.db2.gz BRSLPAZVFFMRMI-UHFFFAOYSA-N 1 0 235.287 0.616 20 30 BCEDRO Cc1ccc(CC(=O)N[C@H]2C[NH2+]C[C@H]2C#N)s1 ZINC000843461031 588112488 /nfs/dbraw/zinc/11/24/88/588112488.db2.gz JIRTVGSFZXCTEF-KOLCDFICSA-N 1 0 249.339 0.827 20 30 BCEDRO CC(C)(C)/C=C/C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843461858 588112645 /nfs/dbraw/zinc/11/26/45/588112645.db2.gz XMFODOBFZDTOLS-NUNSBDKSSA-N 1 0 221.304 0.816 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)Cc1cccs1 ZINC000843463376 588112977 /nfs/dbraw/zinc/11/29/77/588112977.db2.gz WGQCBGZODBPIPH-WPRPVWTQSA-N 1 0 235.312 0.518 20 30 BCEDRO Cc1c[nH]cc1C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000843464224 588113137 /nfs/dbraw/zinc/11/31/37/588113137.db2.gz ZXVXOBMFOKVZRW-PSASIEDQSA-N 1 0 218.260 0.165 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)/C=C\c1cccs1 ZINC000843463781 588113246 /nfs/dbraw/zinc/11/32/46/588113246.db2.gz XWEUCMSGXQZRQP-QKXNICGJSA-N 1 0 247.323 0.989 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)/C=C\c1cccs1 ZINC000843463782 588113265 /nfs/dbraw/zinc/11/32/65/588113265.db2.gz XWEUCMSGXQZRQP-YUPSMKLTSA-N 1 0 247.323 0.989 20 30 BCEDRO C=C(CO)C(=O)N(C)[C@H](C)C1CC[NH+](C)CC1 ZINC000843841518 588144174 /nfs/dbraw/zinc/14/41/74/588144174.db2.gz LEOXKLUKYCIASD-LLVKDONJSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cnc(C)nc1N ZINC000843883829 588147167 /nfs/dbraw/zinc/14/71/67/588147167.db2.gz LRIKKUGPPRGZEQ-UHFFFAOYSA-N 1 0 249.318 0.101 20 30 BCEDRO C#CCN(CC#N)C(=O)[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000843877816 588147387 /nfs/dbraw/zinc/14/73/87/588147387.db2.gz MMUZYLISPLIIIJ-GHMZBOCLSA-N 1 0 219.288 0.312 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)N1CC[C@@H]1COC ZINC000843892343 588148072 /nfs/dbraw/zinc/14/80/72/588148072.db2.gz AOTIVWPSOSQGSH-NEPJUHHUSA-N 1 0 236.315 0.331 20 30 BCEDRO CC#CC(=O)N1CCOC2(CC[NH+](C)CC2)C1 ZINC000844095634 588167095 /nfs/dbraw/zinc/16/70/95/588167095.db2.gz ZZFBGNSEBYLEAO-UHFFFAOYSA-N 1 0 236.315 0.333 20 30 BCEDRO C=CCCCC(=O)N(C)CCN1CC[NH2+]CC1 ZINC000844164961 588171472 /nfs/dbraw/zinc/17/14/72/588171472.db2.gz XMXRVDSPYFCMLV-UHFFFAOYSA-N 1 0 239.363 0.706 20 30 BCEDRO C#CC[N@@H+](CC)C[C@H]1CN(C2CC2)C(=O)O1 ZINC000844299797 588182325 /nfs/dbraw/zinc/18/23/25/588182325.db2.gz HFQAITPCKDVJHR-NSHDSACASA-N 1 0 222.288 0.925 20 30 BCEDRO CC[N@H+](CC(=O)NCCC#N)[C@H]1CCCOC1 ZINC000844404251 588190018 /nfs/dbraw/zinc/19/00/18/588190018.db2.gz LYLBAZWVYBFLEA-NSHDSACASA-N 1 0 239.319 0.517 20 30 BCEDRO COc1ccc(C=NNC2=[NH+]CCN2)c(F)c1 ZINC000844600945 588207283 /nfs/dbraw/zinc/20/72/83/588207283.db2.gz CHIJOTMCCXRFMJ-UHFFFAOYSA-N 1 0 236.250 0.717 20 30 BCEDRO C[C@@]1(C#N)CCCN(C(=O)[C@H](O)c2cnc[nH]2)C1 ZINC000867363198 588213155 /nfs/dbraw/zinc/21/31/55/588213155.db2.gz MDWMDJPZYIERIH-PWSUYJOCSA-N 1 0 248.286 0.595 20 30 BCEDRO C=C(C)CONC(=O)NC[C@@H]1CCC[N@H+]1C ZINC000845596284 588234663 /nfs/dbraw/zinc/23/46/63/588234663.db2.gz RBXXTVOZLNVSGN-JTQLQIEISA-N 1 0 227.308 0.888 20 30 BCEDRO C=C(C)CONC(=O)NCC[N@H+](CC)CCO ZINC000845605503 588235676 /nfs/dbraw/zinc/23/56/76/588235676.db2.gz MJPCZAYBLPGKFG-UHFFFAOYSA-N 1 0 245.323 0.108 20 30 BCEDRO CCON(C)C(=O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000846066083 588255304 /nfs/dbraw/zinc/25/53/04/588255304.db2.gz ZMAYUDYTINLSSU-NXEZZACHSA-N 1 0 225.292 0.678 20 30 BCEDRO C=CCONC(=O)NCCC1CC[NH2+]CC1 ZINC000846169552 588259116 /nfs/dbraw/zinc/25/91/16/588259116.db2.gz FDNFEVCVTXVIFD-UHFFFAOYSA-N 1 0 227.308 0.793 20 30 BCEDRO C=C(CO)C(=O)N(C)CC[NH+]1CCCCC1 ZINC000846615194 588279675 /nfs/dbraw/zinc/27/96/75/588279675.db2.gz YDQDOBHDBJBUOC-UHFFFAOYSA-N 1 0 226.320 0.479 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)[C@H]1CC=CCC1 ZINC000846677112 588282206 /nfs/dbraw/zinc/28/22/06/588282206.db2.gz KOTXFKQRUNQZNR-AXFHLTTASA-N 1 0 219.288 0.570 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)C1(C#N)CCCC1 ZINC000846677811 588282305 /nfs/dbraw/zinc/28/23/05/588282305.db2.gz OTZISLBYTYLYAL-UWVGGRQHSA-N 1 0 232.287 0.298 20 30 BCEDRO Cc1ccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)cc1O ZINC000846678101 588282326 /nfs/dbraw/zinc/28/23/26/588282326.db2.gz QWULOCGOSDKXEM-QWRGUYRKSA-N 1 0 245.282 0.542 20 30 BCEDRO N#Cc1cccc2c1CN(C(=O)[C@H]1C[C@H]1[NH3+])C2 ZINC000846701483 588283699 /nfs/dbraw/zinc/28/36/99/588283699.db2.gz XAUNHDGKQWDBBB-CMPLNLGQSA-N 1 0 227.267 0.748 20 30 BCEDRO C#CCCC[NH+]1CCN(c2ncc[nH]2)CC1 ZINC000846875737 588294961 /nfs/dbraw/zinc/29/49/61/588294961.db2.gz JPKGRVRXIANPFK-UHFFFAOYSA-N 1 0 218.304 0.945 20 30 BCEDRO C[Si](C)(C)C[NH+]1CCN(C(=O)CC#N)CC1 ZINC000846954397 588298455 /nfs/dbraw/zinc/29/84/55/588298455.db2.gz IWZWKBMZBOAMPS-UHFFFAOYSA-N 1 0 239.395 0.922 20 30 BCEDRO C#C[C@H]1CCCN(C[C@@H](O)C[N@@H+](C)CC)C1 ZINC000847019393 588301931 /nfs/dbraw/zinc/30/19/31/588301931.db2.gz PRQWIKLPXVHIIC-STQMWFEESA-N 1 0 224.348 0.644 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CCCNC(C)=O)C1 ZINC000847022051 588302640 /nfs/dbraw/zinc/30/26/40/588302640.db2.gz RUSUYSKJOGYPGD-LBPRGKRZSA-N 1 0 208.305 0.858 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@H]2CCCN(C)C2=O)C1 ZINC000847022449 588303136 /nfs/dbraw/zinc/30/31/36/588303136.db2.gz UMTVWYCXRSLEJC-NEPJUHHUSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@H](O)Cn2cccn2)C1 ZINC000847022703 588303193 /nfs/dbraw/zinc/30/31/93/588303193.db2.gz JHNIFBFANGZABU-OLZOCXBDSA-N 1 0 233.315 0.589 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@H](O)Cn2cccn2)C1 ZINC000847022704 588303437 /nfs/dbraw/zinc/30/34/37/588303437.db2.gz JHNIFBFANGZABU-QWHCGFSZSA-N 1 0 233.315 0.589 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](C[C@@H]2CCC(=O)N2)C1 ZINC000847038303 588304719 /nfs/dbraw/zinc/30/47/19/588304719.db2.gz XJLUWVBVZUDVCZ-QWRGUYRKSA-N 1 0 206.289 0.610 20 30 BCEDRO C[NH+](C)[C@H]1C[C@@H](CNC(=O)NCCC#N)C1 ZINC000847361726 588311471 /nfs/dbraw/zinc/31/14/71/588311471.db2.gz GUNIPEGYJBEVBU-AOOOYVTPSA-N 1 0 224.308 0.539 20 30 BCEDRO C#CCCNC(=O)NC[C@H]1C[C@@H]([NH+](C)C)C1 ZINC000847410389 588312534 /nfs/dbraw/zinc/31/25/34/588312534.db2.gz GBFIVSLVINXEKC-PHIMTYICSA-N 1 0 223.320 0.649 20 30 BCEDRO C#CCO[C@H](C)C(=O)OCC[C@@H]1CC[N@H+](C)C1 ZINC000847820919 588333748 /nfs/dbraw/zinc/33/37/48/588333748.db2.gz WHJQXEULSXJWOS-NEPJUHHUSA-N 1 0 239.315 0.910 20 30 BCEDRO C[NH+](C)CCn1ccc(C(=O)NCCC#N)n1 ZINC000847968829 588345677 /nfs/dbraw/zinc/34/56/77/588345677.db2.gz PPTVYPKVYIPNPZ-UHFFFAOYSA-N 1 0 235.291 0.088 20 30 BCEDRO NC(=O)CNN=C1CCC[N@@H+]2CCCC[C@H]12 ZINC000848407636 588378445 /nfs/dbraw/zinc/37/84/45/588378445.db2.gz AUIBUMDIURLJEK-SNVBAGLBSA-N 1 0 224.308 0.066 20 30 BCEDRO CCc1cccc(C=NNC2=[NH+]CCN2)c1O ZINC000848411862 588380574 /nfs/dbraw/zinc/38/05/74/588380574.db2.gz DKJNAIHYJUOWSV-UHFFFAOYSA-N 1 0 232.287 0.837 20 30 BCEDRO C/C(=C/c1ccco1)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000848419640 588382717 /nfs/dbraw/zinc/38/27/17/588382717.db2.gz ZSNJKFHYFYQMAH-XPBXZXTRSA-N 1 0 245.282 0.911 20 30 BCEDRO C#C[C@H]1CCC[N@@H+](CN2CCCC2=O)C1 ZINC000848492339 588386844 /nfs/dbraw/zinc/38/68/44/588386844.db2.gz ATUNNFIYLBRLGM-NSHDSACASA-N 1 0 206.289 0.912 20 30 BCEDRO C=CCCn1cc(CN(C)CC[NH2+]C)nn1 ZINC000848599660 588401639 /nfs/dbraw/zinc/40/16/39/588401639.db2.gz ODVZDYQXXPIPRU-UHFFFAOYSA-N 1 0 223.324 0.505 20 30 BCEDRO C[C@@H](C[NH3+])NC(=O)N1Cc2ccc(C#N)cc2C1 ZINC000848604557 588401806 /nfs/dbraw/zinc/40/18/06/588401806.db2.gz GSYPILIQPYDBLO-VIFPVBQESA-N 1 0 244.298 0.931 20 30 BCEDRO CN1CC[NH+]=C1NCCCOC[C@@H]1CCCO1 ZINC000848982972 588424440 /nfs/dbraw/zinc/42/44/40/588424440.db2.gz PDSDIMPGFKAJSS-NSHDSACASA-N 1 0 241.335 0.463 20 30 BCEDRO CCNC(NCc1nnc2n1CCC2)=[NH+]CC ZINC000848983451 588424620 /nfs/dbraw/zinc/42/46/20/588424620.db2.gz MQAKKOWXTVZZJP-UHFFFAOYSA-N 1 0 236.323 0.299 20 30 BCEDRO C=CCNC(=[NH2+])NCCNc1cnccn1 ZINC000848989388 588426318 /nfs/dbraw/zinc/42/63/18/588426318.db2.gz FGQQZTUTHNCLNF-UHFFFAOYSA-N 1 0 220.280 0.188 20 30 BCEDRO CC(C)NC(=[NH2+])NCCNc1ncccc1C#N ZINC000848989754 588426641 /nfs/dbraw/zinc/42/66/41/588426641.db2.gz ZBCYRQOJEBWNAU-UHFFFAOYSA-N 1 0 246.318 0.888 20 30 BCEDRO CCOC(=O)CCCNC(NC1CC1)=[NH+]C ZINC000848991395 588427466 /nfs/dbraw/zinc/42/74/66/588427466.db2.gz BQSJAECCRDKGPX-UHFFFAOYSA-N 1 0 227.308 0.657 20 30 BCEDRO N#Cc1ccc(NCCNC(=[NH2+])NC2CC2)nc1 ZINC000848991652 588427472 /nfs/dbraw/zinc/42/74/72/588427472.db2.gz YMOXAECUPUCYER-UHFFFAOYSA-N 1 0 244.302 0.642 20 30 BCEDRO COC(=O)CCCCNC1=[NH+]CCCN1C ZINC000848998639 588430063 /nfs/dbraw/zinc/43/00/63/588430063.db2.gz CTWJQEUWDSTRJZ-UHFFFAOYSA-N 1 0 227.308 0.611 20 30 BCEDRO CN1CCC[NH+]=C1NCCCNc1ncccn1 ZINC000849000360 588430755 /nfs/dbraw/zinc/43/07/55/588430755.db2.gz MKVAGSAMNYOEGR-UHFFFAOYSA-N 1 0 248.334 0.560 20 30 BCEDRO CNC(NCCN1CCc2ccccc21)=[NH+]C ZINC000849000496 588430794 /nfs/dbraw/zinc/43/07/94/588430794.db2.gz XEOHVXULULHGGT-UHFFFAOYSA-N 1 0 232.331 0.844 20 30 BCEDRO C[NH+]=C(NCCN1CCOC[C@@H]1C)NC1CC1 ZINC000849003326 588431077 /nfs/dbraw/zinc/43/10/77/588431077.db2.gz GGGYYXPVMZDYBX-JTQLQIEISA-N 1 0 240.351 0.035 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCCCCC#N ZINC000849003169 588431102 /nfs/dbraw/zinc/43/11/02/588431102.db2.gz QBMZEONJBYCTJL-SECBINFHSA-N 1 0 212.297 0.829 20 30 BCEDRO C[C@@H](C#N)CNC(=[NH2+])NC[C@H]1CCCO1 ZINC000849003830 588431872 /nfs/dbraw/zinc/43/18/72/588431872.db2.gz JBJVYPGZCJQXCN-DTWKUNHWSA-N 1 0 210.281 0.439 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCNC(=O)C2CCC2)N1 ZINC000849004629 588432182 /nfs/dbraw/zinc/43/21/82/588432182.db2.gz SFYRNYNPYYXAAZ-SECBINFHSA-N 1 0 238.335 0.230 20 30 BCEDRO Cc1ccc(CCNC2=[NH+]CCN2C)cn1 ZINC000849005802 588432743 /nfs/dbraw/zinc/43/27/43/588432743.db2.gz SBFRGHZIBILNJU-UHFFFAOYSA-N 1 0 218.304 0.824 20 30 BCEDRO C[NH+]=C(NC[C@@H](OC)C(F)(F)F)NC1CC1 ZINC000849008395 588433827 /nfs/dbraw/zinc/43/38/27/588433827.db2.gz IICIHUUYGRSBHP-SSDOTTSWSA-N 1 0 239.241 0.891 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCOC2CCOCC2)N1 ZINC000849009899 588434442 /nfs/dbraw/zinc/43/44/42/588434442.db2.gz HORBPRIOWPPGTP-SNVBAGLBSA-N 1 0 241.335 0.509 20 30 BCEDRO CN1CC[NH+]=C1NCCCOC[C@@H]1CCOC1 ZINC000849009874 588434494 /nfs/dbraw/zinc/43/44/94/588434494.db2.gz FJWIMZMFVVORNT-NSHDSACASA-N 1 0 241.335 0.321 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCO[C@H]2CCOC2)N1 ZINC000849012575 588435596 /nfs/dbraw/zinc/43/55/96/588435596.db2.gz ABZGQPFWLLYVOY-ZJUUUORDSA-N 1 0 227.308 0.119 20 30 BCEDRO Cc1ncc(CCNC2=[NH+]C[C@@H](C)N2)s1 ZINC000849013861 588436267 /nfs/dbraw/zinc/43/62/67/588436267.db2.gz NVSXLSUBAHTVIO-SSDOTTSWSA-N 1 0 224.333 0.931 20 30 BCEDRO CCOC(=O)C[C@H](C)CNC1=[NH+]C[C@@H](C)N1 ZINC000849015115 588436872 /nfs/dbraw/zinc/43/68/72/588436872.db2.gz RIGHGZNXLZQUHU-DTWKUNHWSA-N 1 0 227.308 0.513 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])N1CCSCC1 ZINC000849016165 588437141 /nfs/dbraw/zinc/43/71/41/588437141.db2.gz QJYBWQATRUAMCX-SNVBAGLBSA-N 1 0 243.376 0.744 20 30 BCEDRO C=CCNC(=[NH2+])NCCCCCS(C)(=O)=O ZINC000849020105 588438538 /nfs/dbraw/zinc/43/85/38/588438538.db2.gz JVNJFQAFAYELEF-UHFFFAOYSA-N 1 0 247.364 0.501 20 30 BCEDRO CCOC(CCNC1=[NH+]CCN1C)OCC ZINC000849021210 588438957 /nfs/dbraw/zinc/43/89/57/588438957.db2.gz BWJKSGDOQVFKDB-UHFFFAOYSA-N 1 0 229.324 0.667 20 30 BCEDRO CO[C@H](CCNC1=[NH+]C[C@H](C)N1)C(F)(F)F ZINC000849021234 588439007 /nfs/dbraw/zinc/43/90/07/588439007.db2.gz DPINRLQJTMWICR-NKWVEPMBSA-N 1 0 239.241 0.891 20 30 BCEDRO CCNC(NCc1ncccc1O)=[NH+]CC ZINC000849024360 588439698 /nfs/dbraw/zinc/43/96/98/588439698.db2.gz LUWYYJIZUHVWPK-UHFFFAOYSA-N 1 0 222.292 0.862 20 30 BCEDRO CCNC(NC[C@H](CO)[C@@H]1CCOC1)=[NH+]CC ZINC000849025239 588440133 /nfs/dbraw/zinc/44/01/33/588440133.db2.gz VMYWPAPZIQJTQA-GHMZBOCLSA-N 1 0 243.351 0.206 20 30 BCEDRO CN(C)C(=[NH+]C[C@@H](CO)[C@@H]1CCOC1)N(C)C ZINC000849024966 588440328 /nfs/dbraw/zinc/44/03/28/588440328.db2.gz HKZUSYPMRGHCCF-MNOVXSKESA-N 1 0 243.351 0.111 20 30 BCEDRO CNC(NC[C@H](CO)CC1CCCC1)=[NH+]C ZINC000849026407 588440738 /nfs/dbraw/zinc/44/07/38/588440738.db2.gz YTBLIQIOURSWLZ-LLVKDONJSA-N 1 0 227.352 0.970 20 30 BCEDRO CNC(NCC1(S(C)(=O)=O)CCCC1)=[NH+]C ZINC000849027722 588441551 /nfs/dbraw/zinc/44/15/51/588441551.db2.gz IWYOLOWWLAEWJC-UHFFFAOYSA-N 1 0 247.364 0.139 20 30 BCEDRO Cn1ncc(CCCNC2=[NH+]CCCN2C)n1 ZINC000849031168 588442771 /nfs/dbraw/zinc/44/27/71/588442771.db2.gz XMJPKZOFEYCGEF-UHFFFAOYSA-N 1 0 236.323 0.029 20 30 BCEDRO Cc1nccnc1CCNC1=[NH+]C[C@@H](C)N1 ZINC000849033696 588443775 /nfs/dbraw/zinc/44/37/75/588443775.db2.gz WDCDEQKMDQEKDH-MRVPVSSYSA-N 1 0 219.292 0.265 20 30 BCEDRO Cc1nccnc1CCNC1=[NH+]C[C@H](C)N1 ZINC000849033697 588443873 /nfs/dbraw/zinc/44/38/73/588443873.db2.gz WDCDEQKMDQEKDH-QMMMGPOBSA-N 1 0 219.292 0.265 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@]1(C)CCC(=O)N1 ZINC000849039082 588446870 /nfs/dbraw/zinc/44/68/70/588446870.db2.gz HOCFTOICPNDXJZ-LLVKDONJSA-N 1 0 224.308 0.345 20 30 BCEDRO C=CCNC(=[NH2+])NCc1nnc(C(C)(C)C)[nH]1 ZINC000849040889 588447944 /nfs/dbraw/zinc/44/79/44/588447944.db2.gz WMQCMJOUZKXEMQ-UHFFFAOYSA-N 1 0 236.323 0.902 20 30 BCEDRO N#CC1(CNC(=[NH2+])NC[C@H]2CCCO2)CCC1 ZINC000849043684 588448712 /nfs/dbraw/zinc/44/87/12/588448712.db2.gz QCZQGXCOFUVQHB-SNVBAGLBSA-N 1 0 236.319 0.973 20 30 BCEDRO COCC1(CCNC2=[NH+]C[C@@H](C)N2)CC1 ZINC000849045902 588449854 /nfs/dbraw/zinc/44/98/54/588449854.db2.gz RIAZONGSNKUGDR-SECBINFHSA-N 1 0 211.309 0.740 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@](C)(CO)OC ZINC000849049604 588451583 /nfs/dbraw/zinc/45/15/83/588451583.db2.gz UMCMJDPFTNFJPJ-SNVBAGLBSA-N 1 0 215.297 0.074 20 30 BCEDRO C[NH+]=C(NCC1(COC)CC1)NC1CC1 ZINC000849050286 588451650 /nfs/dbraw/zinc/45/16/50/588451650.db2.gz XPYUEMXCDPHEKM-UHFFFAOYSA-N 1 0 211.309 0.740 20 30 BCEDRO COc1cc(CNC(N)=[NH2+])ccc1C#N ZINC000849084727 588452300 /nfs/dbraw/zinc/45/23/00/588452300.db2.gz JIQAGOGGTQEBBY-UHFFFAOYSA-N 1 0 204.233 0.550 20 30 BCEDRO C=CCNC(=[NH2+])NCc1ccc(C(N)=O)o1 ZINC000849091311 588452652 /nfs/dbraw/zinc/45/26/52/588452652.db2.gz UOIVUJWFMMAWBO-UHFFFAOYSA-N 1 0 222.248 0.178 20 30 BCEDRO CNC(NC[C@H](CC(C)C)C(=O)OC)=[NH+]C ZINC000849214582 588461283 /nfs/dbraw/zinc/46/12/83/588461283.db2.gz SFWKMLGUTLVGHC-VIFPVBQESA-N 1 0 229.324 0.617 20 30 BCEDRO C=CC[C@H](CO)CNC1=[NH+]CCCCN1 ZINC000849217738 588462583 /nfs/dbraw/zinc/46/25/83/588462583.db2.gz NJQYZYCKZWYVKO-JTQLQIEISA-N 1 0 211.309 0.500 20 30 BCEDRO C=CCCn1cc(CN[C@@H]2CC[N@@H+](C)C2)nn1 ZINC000850119685 588520722 /nfs/dbraw/zinc/52/07/22/588520722.db2.gz QJGBAMCAXAJWDZ-LLVKDONJSA-N 1 0 235.335 0.648 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000850244555 588531520 /nfs/dbraw/zinc/53/15/20/588531520.db2.gz WFWKYFJXRPEPSN-WDEREUQCSA-N 1 0 247.360 0.744 20 30 BCEDRO C#CCNC(=O)CN(C)Cc1ccccc1 ZINC000007340100 588534037 /nfs/dbraw/zinc/53/40/37/588534037.db2.gz KDQXXNZWQNIDAN-UHFFFAOYSA-N 1 0 216.284 0.868 20 30 BCEDRO C[C@H](Cn1cncn1)[NH2+]Cc1ccc(C#N)cn1 ZINC000850462065 588548548 /nfs/dbraw/zinc/54/85/48/588548548.db2.gz MKEOJCYTCAGSFG-SNVBAGLBSA-N 1 0 242.286 0.723 20 30 BCEDRO COc1cc(C(=O)NCC2C[NH2+]C2)ccc1C#N ZINC000851634152 588612296 /nfs/dbraw/zinc/61/22/96/588612296.db2.gz DIXHSZPTJVQQOJ-UHFFFAOYSA-N 1 0 245.282 0.516 20 30 BCEDRO N#CC1(CNC(=O)[C@H]2C[C@H]2[NH3+])CCCCC1 ZINC000851645701 588612808 /nfs/dbraw/zinc/61/28/08/588612808.db2.gz MICPTWZSUGESDG-VHSXEESVSA-N 1 0 221.304 0.924 20 30 BCEDRO C#CCCCCNC(=O)N[C@H](C)C[NH2+]C ZINC000851658498 588613220 /nfs/dbraw/zinc/61/32/20/588613220.db2.gz ZIROLMGRJXMIJJ-SNVBAGLBSA-N 1 0 211.309 0.697 20 30 BCEDRO C#CCCCNC(=O)N1CC2CC1(C[NH3+])C2 ZINC000851659206 588613336 /nfs/dbraw/zinc/61/33/36/588613336.db2.gz NGOJUSCCIOVWAJ-UHFFFAOYSA-N 1 0 221.304 0.533 20 30 BCEDRO CN(CCC[NH3+])C(=O)NCc1ccc(C#N)cn1 ZINC000851660109 588613345 /nfs/dbraw/zinc/61/33/45/588613345.db2.gz CQXQIQDEUHVEMD-UHFFFAOYSA-N 1 0 247.302 0.443 20 30 BCEDRO C#CCCCNC(=O)NCC12CC(C1)C[NH2+]2 ZINC000851658357 588613407 /nfs/dbraw/zinc/61/34/07/588613407.db2.gz BEIHQNVCUFSYSN-UHFFFAOYSA-N 1 0 221.304 0.451 20 30 BCEDRO N#CCCNC(=O)NCC1([NH3+])CCCC1 ZINC000851659405 588613470 /nfs/dbraw/zinc/61/34/70/588613470.db2.gz PVHUFEUUXIFUAF-UHFFFAOYSA-N 1 0 210.281 0.471 20 30 BCEDRO C#C[C@H](NC(=O)N[C@H](C)C[NH2+]C)C(C)C ZINC000851660927 588613669 /nfs/dbraw/zinc/61/36/69/588613669.db2.gz BOPRNUJLBGTKFL-ZJUUUORDSA-N 1 0 211.309 0.551 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)NCC1([NH3+])CCCC1 ZINC000851670980 588614405 /nfs/dbraw/zinc/61/44/05/588614405.db2.gz CWOWPOHIGOCXRR-JTQLQIEISA-N 1 0 223.320 0.921 20 30 BCEDRO C=CCOCCNC(=O)N1CCC[C@H](C[NH3+])C1 ZINC000851677338 588614412 /nfs/dbraw/zinc/61/44/12/588614412.db2.gz VAPGEYLUOIWQPB-LLVKDONJSA-N 1 0 241.335 0.569 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC12CC(C1)C[NH2+]2 ZINC000851677807 588614506 /nfs/dbraw/zinc/61/45/06/588614506.db2.gz VYGLZLVWKPWIEM-UHFFFAOYSA-N 1 0 245.326 0.407 20 30 BCEDRO C#C[C@@H](C)NC(=O)NCC1([NH3+])CCCC1 ZINC000851670977 588614513 /nfs/dbraw/zinc/61/45/13/588614513.db2.gz CTYVISMBFGJMDV-SECBINFHSA-N 1 0 209.293 0.579 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC1([NH3+])CCCC1 ZINC000851671834 588614519 /nfs/dbraw/zinc/61/45/19/588614519.db2.gz VEPJAYKEWKVMSQ-UHFFFAOYSA-N 1 0 247.342 0.926 20 30 BCEDRO C#CCN(C(=O)N[C@@H](C)C[NH2+]C)C1CC1 ZINC000851680114 588614770 /nfs/dbraw/zinc/61/47/70/588614770.db2.gz GMZJPQKNMGSTAQ-VIFPVBQESA-N 1 0 209.293 0.402 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](CNC(C)=O)C1 ZINC000851738095 588621120 /nfs/dbraw/zinc/62/11/20/588621120.db2.gz VXWFFIKBKHOKCF-CYBMUJFWSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCOCC[N@H+]1CCCC[C@H]1CCO ZINC000851752099 588623532 /nfs/dbraw/zinc/62/35/32/588623532.db2.gz YYZUVXSKPHLWMX-LBPRGKRZSA-N 1 0 211.305 0.873 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](CCO)C1 ZINC000851753777 588623733 /nfs/dbraw/zinc/62/37/33/588623733.db2.gz ZKCCHDNLJBFNLI-LBPRGKRZSA-N 1 0 211.305 0.731 20 30 BCEDRO C#CCOCC[NH+]1CCC(CCO)CC1 ZINC000851759786 588624190 /nfs/dbraw/zinc/62/41/90/588624190.db2.gz AGUXRAPYHUACEL-UHFFFAOYSA-N 1 0 211.305 0.731 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@H](C(=O)NC)C1 ZINC000851769673 588625472 /nfs/dbraw/zinc/62/54/72/588625472.db2.gz MURVXEJCCWQIJV-NSHDSACASA-N 1 0 224.304 0.094 20 30 BCEDRO C#CC[N@H+](CC#CC)C[C@@H](OC)[C@@H]1CCOC1 ZINC000851784817 588628397 /nfs/dbraw/zinc/62/83/97/588628397.db2.gz LKKOZKGGZKSAIO-ZIAGYGMSSA-N 1 0 235.327 0.996 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@]2(CCOC2)C1 ZINC000851807094 588631817 /nfs/dbraw/zinc/63/18/17/588631817.db2.gz CYOWKVBIEBVBHP-LBPRGKRZSA-N 1 0 209.289 0.749 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H](c2nnc(C)[nH]2)C1 ZINC000851811359 588632550 /nfs/dbraw/zinc/63/25/50/588632550.db2.gz VVEVZYNCXQHRJN-GFCCVEGCSA-N 1 0 248.330 0.942 20 30 BCEDRO C#CCOCC[NH2+][C@](C)(COC)CC(=O)OC ZINC000851851755 588635194 /nfs/dbraw/zinc/63/51/94/588635194.db2.gz GCAKILQAUZUIGK-LBPRGKRZSA-N 1 0 243.303 0.194 20 30 BCEDRO C#CCOCC[NH2+][C@@](C)(COC)CC(=O)OC ZINC000851851754 588635227 /nfs/dbraw/zinc/63/52/27/588635227.db2.gz GCAKILQAUZUIGK-GFCCVEGCSA-N 1 0 243.303 0.194 20 30 BCEDRO C#CCOCC[N@H+]1CCC[C@@H]1C[C@H](C)O ZINC000851865969 588636673 /nfs/dbraw/zinc/63/66/73/588636673.db2.gz YSNYLOAFUYIZSI-NWDGAFQWSA-N 1 0 211.305 0.872 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](N2CCCC2=O)C1 ZINC000851881066 588639380 /nfs/dbraw/zinc/63/93/80/588639380.db2.gz WUSWNJRLDUGLTH-LBPRGKRZSA-N 1 0 236.315 0.333 20 30 BCEDRO C#CCOCC[N@H+]1CCN(C(C)=O)CC1(C)C ZINC000851906038 588642105 /nfs/dbraw/zinc/64/21/05/588642105.db2.gz SHXYFTWMZOQNLQ-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO C#CCOCC[NH2+][C@@H](CO)C1CCOCC1 ZINC000851919012 588643665 /nfs/dbraw/zinc/64/36/65/588643665.db2.gz FLROBUIXQRSTBV-LBPRGKRZSA-N 1 0 227.304 0.013 20 30 BCEDRO C#CCOCC[NH+]1CCC(C)(CO)CC1 ZINC000851938517 588646402 /nfs/dbraw/zinc/64/64/02/588646402.db2.gz RHLSVODDTCEQBT-UHFFFAOYSA-N 1 0 211.305 0.731 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1COC(C)(C)O1)[C@@H]1CCCO1 ZINC000851949122 588646919 /nfs/dbraw/zinc/64/69/19/588646919.db2.gz ADGAQTTZJCACOT-WOPDTQHZSA-N 1 0 239.315 0.908 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1CCC(=O)O1)[C@H]1CCCO1 ZINC000851949810 588647154 /nfs/dbraw/zinc/64/71/54/588647154.db2.gz JQBKAICICCQVRK-GARJFASQSA-N 1 0 223.272 0.462 20 30 BCEDRO C#CCOCC[N@H+]1[C@H](C)C[C@@H](O)C[C@@H]1C ZINC000851966689 588648249 /nfs/dbraw/zinc/64/82/49/588648249.db2.gz QTKKAMQMYOTEQH-ZSBIGDGJSA-N 1 0 211.305 0.870 20 30 BCEDRO C#CCOCC[NH+]1CCC2(CNC(=O)O2)CC1 ZINC000851968040 588648581 /nfs/dbraw/zinc/64/85/81/588648581.db2.gz QTNOTWRVEBZZIB-UHFFFAOYSA-N 1 0 238.287 0.211 20 30 BCEDRO C=CCC[N@@H+](C)C[C@@](O)(C(N)=O)c1ccccc1 ZINC000851974162 588650078 /nfs/dbraw/zinc/65/00/78/588650078.db2.gz UAKZOPVLTAOTSQ-AWEZNQCLSA-N 1 0 248.326 0.867 20 30 BCEDRO C#CCN(C)CCc1nnn(C(C)(C)C)n1 ZINC000851977990 588650610 /nfs/dbraw/zinc/65/06/10/588650610.db2.gz JDTNTTOTBUKZRV-UHFFFAOYSA-N 1 0 221.308 0.536 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@](C)(C(=O)NC)C1 ZINC000852007150 588654867 /nfs/dbraw/zinc/65/48/67/588654867.db2.gz YLKTZLPBBJSENY-GFCCVEGCSA-N 1 0 224.304 0.094 20 30 BCEDRO C#CCOCC[NH2+][C@@](C)(CO)c1cccc(O)c1 ZINC000852051828 588657820 /nfs/dbraw/zinc/65/78/20/588657820.db2.gz HCBKITRNUCNYEV-AWEZNQCLSA-N 1 0 249.310 0.839 20 30 BCEDRO C#CCOCC[N@@H+]1CC[C@@H](n2cccn2)C1 ZINC000852070860 588659450 /nfs/dbraw/zinc/65/94/50/588659450.db2.gz WKFLFKNZLGSGFC-GFCCVEGCSA-N 1 0 219.288 0.780 20 30 BCEDRO C#CCOCC[NH2+]C1(COC)CCOCC1 ZINC000852090416 588660891 /nfs/dbraw/zinc/66/08/91/588660891.db2.gz JTLQHFUIRVDSPR-UHFFFAOYSA-N 1 0 227.304 0.421 20 30 BCEDRO C#CCOCC[N@H+]1CCN(C)C[C@H]1C(C)C ZINC000852089426 588661111 /nfs/dbraw/zinc/66/11/11/588661111.db2.gz NQDPKIFATKINAM-ZDUSSCGKSA-N 1 0 224.348 0.908 20 30 BCEDRO COCC1([NH2+]CCO[C@@H](C)C#N)CCOCC1 ZINC000852091467 588661176 /nfs/dbraw/zinc/66/11/76/588661176.db2.gz YJNKSHYRNDQSQW-NSHDSACASA-N 1 0 242.319 0.700 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)N1CCO[C@@H](C)C1 ZINC000852096806 588661753 /nfs/dbraw/zinc/66/17/53/588661753.db2.gz FTZRDKTXFQMPHE-WCQYABFASA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)NC[C@H]1CCCO1 ZINC000852098173 588662269 /nfs/dbraw/zinc/66/22/69/588662269.db2.gz GXQUKJMDWNXFFO-YPMHNXCESA-N 1 0 238.331 0.673 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC(=O)NC(=O)NCCC ZINC000852097577 588662406 /nfs/dbraw/zinc/66/24/06/588662406.db2.gz RJOAFONCHBZONT-GFCCVEGCSA-N 1 0 239.319 0.614 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CC(=O)Nc1nncs1 ZINC000852099531 588662704 /nfs/dbraw/zinc/66/27/04/588662704.db2.gz BHUQYPNQTKSXLR-JTQLQIEISA-N 1 0 238.316 0.868 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@@](C)(O)C(=O)OCC ZINC000852101500 588662992 /nfs/dbraw/zinc/66/29/92/588662992.db2.gz QAVJJJCUWJPGOT-NWDGAFQWSA-N 1 0 227.304 0.692 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]CC1(O)CCOCC1 ZINC000852101157 588663000 /nfs/dbraw/zinc/66/30/00/588663000.db2.gz NCHOOYBXQIQKAR-LLVKDONJSA-N 1 0 211.305 0.919 20 30 BCEDRO C#CCOCC[NH2+][C@H](C(=O)N(C)CC)C(C)C ZINC000852114289 588664710 /nfs/dbraw/zinc/66/47/10/588664710.db2.gz PRCAPABGDWVGMP-LBPRGKRZSA-N 1 0 240.347 0.729 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](OC(=O)N(C)C)C1 ZINC000852113339 588664730 /nfs/dbraw/zinc/66/47/30/588664730.db2.gz ZNLFLSRBFNRPDI-LLVKDONJSA-N 1 0 240.303 0.409 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](OC)[C@H](C)C1 ZINC000852134262 588665755 /nfs/dbraw/zinc/66/57/55/588665755.db2.gz CFPYLQVDPCDYAV-VXGBXAGGSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@H](OC)[C@H](C)C1 ZINC000852134259 588665904 /nfs/dbraw/zinc/66/59/04/588665904.db2.gz CFPYLQVDPCDYAV-NEPJUHHUSA-N 1 0 211.305 0.993 20 30 BCEDRO C#CCOCCN1C[C@@H](C)[N@H+](CCO)[C@@H](C)C1 ZINC000852137149 588666005 /nfs/dbraw/zinc/66/60/05/588666005.db2.gz KKLXZUVZUBZOAL-BETUJISGSA-N 1 0 240.347 0.023 20 30 BCEDRO C#CCOCC[N@H+]1CC(C)(C)[C@H]2COC[C@H]21 ZINC000852149533 588667485 /nfs/dbraw/zinc/66/74/85/588667485.db2.gz RWTXDHGKKWZJOZ-NWDGAFQWSA-N 1 0 223.316 0.993 20 30 BCEDRO C#CCCCNC(=O)N(C)CC1C[NH+](C)C1 ZINC000852153011 588667574 /nfs/dbraw/zinc/66/75/74/588667574.db2.gz AJOKZVGFIFHGGO-UHFFFAOYSA-N 1 0 223.320 0.603 20 30 BCEDRO CO[C@@H]1CC[C@H]([N@@H+]2CC[C@@](O)(CC#N)C2)C1 ZINC000852205584 588671076 /nfs/dbraw/zinc/67/10/76/588671076.db2.gz PBVKDUDBWWLUIU-TUAOUCFPSA-N 1 0 224.304 0.904 20 30 BCEDRO C#CC[C@H]1CCC[N@@H+](C[C@H]2CNC(=O)C2)C1 ZINC000852206292 588671773 /nfs/dbraw/zinc/67/17/73/588671773.db2.gz FXUQPFIDCUYVLU-NWDGAFQWSA-N 1 0 220.316 0.858 20 30 BCEDRO C[C@@H](C#N)OCC[N@@H+]1CC[C@@H](Cn2ccnn2)C1 ZINC000852313718 588677895 /nfs/dbraw/zinc/67/78/95/588677895.db2.gz LXITUFJQDCFFIJ-NWDGAFQWSA-N 1 0 249.318 0.529 20 30 BCEDRO C#CC[NH2+][C@H](CO)[C@@H]1CCC[C@@H](OC)C1 ZINC000852349560 588679242 /nfs/dbraw/zinc/67/92/42/588679242.db2.gz KSTZESPOMSNCSB-IJLUTSLNSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H](N2CCOC2=O)C1 ZINC000852436939 588681757 /nfs/dbraw/zinc/68/17/57/588681757.db2.gz PTGOCFCZMNYGCN-NSHDSACASA-N 1 0 222.288 0.926 20 30 BCEDRO C#CCCC[N@H+]1CC[C@@H](N2CCOC2=O)C1 ZINC000852436938 588681845 /nfs/dbraw/zinc/68/18/45/588681845.db2.gz PTGOCFCZMNYGCN-LLVKDONJSA-N 1 0 222.288 0.926 20 30 BCEDRO C[C@@H](C#N)OCC[N@H+](C)C[C@H]1COCCO1 ZINC000852495370 588685589 /nfs/dbraw/zinc/68/55/89/588685589.db2.gz JPNKHXZWPCBLOP-QWRGUYRKSA-N 1 0 228.292 0.262 20 30 BCEDRO C#CCNC(=O)CC[NH+]1C[C@H](C)C(O)[C@@H](C)C1 ZINC000852499950 588685784 /nfs/dbraw/zinc/68/57/84/588685784.db2.gz CSDUZZAPMMEMLB-QWRGUYRKSA-N 1 0 238.331 0.075 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@@H]2COC[C@]2(C)C1 ZINC000852534274 588688864 /nfs/dbraw/zinc/68/88/64/588688864.db2.gz JSOQECMGLPULGJ-UTUOFQBUSA-N 1 0 224.304 0.883 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1C[C@H]2COC[C@]2(C)C1 ZINC000852534275 588688945 /nfs/dbraw/zinc/68/89/45/588688945.db2.gz JSOQECMGLPULGJ-WOPDTQHZSA-N 1 0 224.304 0.883 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@@H](C)O[C@@H](C)C1 ZINC000852586460 588692502 /nfs/dbraw/zinc/69/25/02/588692502.db2.gz HOLACMQGTJAGCR-NEPJUHHUSA-N 1 0 238.331 0.625 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1CC[C@H]2C[C@H]2C1 ZINC000852633691 588693424 /nfs/dbraw/zinc/69/34/24/588693424.db2.gz CROKYYTXDYZUNX-UWVGGRQHSA-N 1 0 207.277 0.358 20 30 BCEDRO C#CCOCC[N@H+]1CC[C@@H](C(=O)OC)[C@@H](C)C1 ZINC000852650532 588693950 /nfs/dbraw/zinc/69/39/50/588693950.db2.gz LRMPQITUIXFVME-NWDGAFQWSA-N 1 0 239.315 0.767 20 30 BCEDRO C#CCNC(=O)C[NH2+]C1(CC(C)C)CC1 ZINC000852682474 588695356 /nfs/dbraw/zinc/69/53/56/588695356.db2.gz CCTISGDZNNXQCC-UHFFFAOYSA-N 1 0 208.305 0.904 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1C[C@@H](C)[C@@](C)(CO)C1 ZINC000852704002 588697358 /nfs/dbraw/zinc/69/73/58/588697358.db2.gz NSEYIADJVVUHEG-DGCLKSJQSA-N 1 0 238.331 0.076 20 30 BCEDRO C=C[C@H](CO)[NH2+]CC(=O)NCCCCCC ZINC000852713331 588697607 /nfs/dbraw/zinc/69/76/07/588697607.db2.gz DPOQOFNOOXNPQC-LLVKDONJSA-N 1 0 228.336 0.819 20 30 BCEDRO C#CCC[N@@H+](CCOC)CC[C@H]1CCNC1=O ZINC000852748936 588699729 /nfs/dbraw/zinc/69/97/29/588699729.db2.gz LWOQQBIBTKPGJJ-GFCCVEGCSA-N 1 0 238.331 0.484 20 30 BCEDRO C#CCC[N@@H+](CCCNC(C)=O)CCOC ZINC000852750765 588700105 /nfs/dbraw/zinc/70/01/05/588700105.db2.gz FOLKQEFBFFTSSK-UHFFFAOYSA-N 1 0 226.320 0.484 20 30 BCEDRO C#CCNC(=O)[C@H](C)[N@@H+]1CC2CC1(C)C2 ZINC000852786217 588702303 /nfs/dbraw/zinc/70/23/03/588702303.db2.gz UTEGBGBRZIQRCS-BMQDGWLCSA-N 1 0 206.289 0.609 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC2CC1(C)C2 ZINC000852785715 588702477 /nfs/dbraw/zinc/70/24/77/588702477.db2.gz FWMZSGWAGDVUOL-UHFFFAOYSA-N 1 0 206.289 0.610 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCC1CC1 ZINC000852807619 588704757 /nfs/dbraw/zinc/70/47/57/588704757.db2.gz XCCBYPPOVOCVOO-UHFFFAOYSA-N 1 0 206.289 0.516 20 30 BCEDRO C[C@@H]1CN(C(=O)C#CC2CC[NH2+]CC2)CCO1 ZINC000852806703 588704836 /nfs/dbraw/zinc/70/48/36/588704836.db2.gz XPLQBXWQHKZXFX-LLVKDONJSA-N 1 0 236.315 0.237 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]([NH3+])COC(C)C ZINC000852808007 588704871 /nfs/dbraw/zinc/70/48/71/588704871.db2.gz GVTVCLUJXRKWFC-QMMMGPOBSA-N 1 0 220.700 0.607 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)Nc1cn[nH]c1 ZINC000852815600 588705425 /nfs/dbraw/zinc/70/54/25/588705425.db2.gz XNXFHWVEEQHJMS-UHFFFAOYSA-N 1 0 218.260 0.351 20 30 BCEDRO CO[C@@H]1CC[C@H](C(=O)N[C@@H]2C[NH2+]C[C@@H]2C#N)C1 ZINC000852827765 588706236 /nfs/dbraw/zinc/70/62/36/588706236.db2.gz PBYTWYRVEATBOT-UKKRHICBSA-N 1 0 237.303 0.029 20 30 BCEDRO Cc1ncc(NC(=O)C#CC2CC[NH2+]CC2)cn1 ZINC000852832880 588706883 /nfs/dbraw/zinc/70/68/83/588706883.db2.gz HNFIESBWWSQVES-UHFFFAOYSA-N 1 0 244.298 0.727 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]1CCO[C@H]1C[NH3+] ZINC000852841799 588707426 /nfs/dbraw/zinc/70/74/26/588707426.db2.gz QEIRWQQTMMXNJK-SFYZADRCSA-N 1 0 218.684 0.219 20 30 BCEDRO CN(Cc1cc[nH]n1)C(=O)C#CC1CC[NH2+]CC1 ZINC000852866929 588709458 /nfs/dbraw/zinc/70/94/58/588709458.db2.gz NQBHZVOGFUFLQX-UHFFFAOYSA-N 1 0 246.314 0.371 20 30 BCEDRO CCC/C=C\C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000852876160 588709513 /nfs/dbraw/zinc/70/95/13/588709513.db2.gz WNJNAWMGQVYGTK-YVDHIRPGSA-N 1 0 207.277 0.570 20 30 BCEDRO CCC/C=C\C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000852876157 588709640 /nfs/dbraw/zinc/70/96/40/588709640.db2.gz WNJNAWMGQVYGTK-BYIQDMNASA-N 1 0 207.277 0.570 20 30 BCEDRO CSC(C)(C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000852875160 588710022 /nfs/dbraw/zinc/71/00/22/588710022.db2.gz FWJHGPYDKSXASN-YUMQZZPRSA-N 1 0 227.333 0.356 20 30 BCEDRO Cc1nnc(NC(=O)C#CC2CC[NH2+]CC2)n1C ZINC000852887784 588711591 /nfs/dbraw/zinc/71/15/91/588711591.db2.gz DRBYGZIAXADGKG-UHFFFAOYSA-N 1 0 247.302 0.065 20 30 BCEDRO N#C[C@H]1CC[C@@H](NC(=O)C#CC2CC[NH2+]CC2)C1 ZINC000852893953 588711824 /nfs/dbraw/zinc/71/18/24/588711824.db2.gz RBYZSFOKCOZONF-QWHCGFSZSA-N 1 0 245.326 0.798 20 30 BCEDRO C[C@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CO1 ZINC000852894506 588711948 /nfs/dbraw/zinc/71/19/48/588711948.db2.gz LAYYVQMTNOOTPW-JQWIXIFHSA-N 1 0 236.315 0.283 20 30 BCEDRO C[C@@H]1C[C@H](NC(=O)C#CC2CC[NH2+]CC2)CO1 ZINC000852894507 588712094 /nfs/dbraw/zinc/71/20/94/588712094.db2.gz LAYYVQMTNOOTPW-PWSUYJOCSA-N 1 0 236.315 0.283 20 30 BCEDRO C=CCCNC(=O)CO[C@@H]1CCC[NH2+]C1 ZINC000852902880 588712586 /nfs/dbraw/zinc/71/25/86/588712586.db2.gz PIUFRXVYMNYDLR-SNVBAGLBSA-N 1 0 212.293 0.447 20 30 BCEDRO O=C(C#CC1CC[NH2+]CC1)NCCc1ccoc1 ZINC000852907847 588712745 /nfs/dbraw/zinc/71/27/45/588712745.db2.gz PHIFIANJTTYQJC-UHFFFAOYSA-N 1 0 246.310 0.941 20 30 BCEDRO C[C@@]1(C#N)CCN(C(=O)[C@@]2(F)CC[NH2+]C2)C1 ZINC000852916376 588713039 /nfs/dbraw/zinc/71/30/39/588713039.db2.gz HDKZRRBDNSTCND-WDEREUQCSA-N 1 0 225.267 0.450 20 30 BCEDRO C=C(C)COCCNC(=O)N(C)C[C@H](C)[NH3+] ZINC000861611945 589170374 /nfs/dbraw/zinc/17/03/74/589170374.db2.gz GJPDKVDAWFFBPM-JTQLQIEISA-N 1 0 229.324 0.568 20 30 BCEDRO C#C[C@H](NC(=O)N(C)C[C@H](C)[NH3+])[C@H]1CCCO1 ZINC000861618354 589170550 /nfs/dbraw/zinc/17/05/50/589170550.db2.gz RUHMCYPVOUYCCJ-GARJFASQSA-N 1 0 239.319 0.156 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)NCC1(C#N)CC1 ZINC000861629493 589170938 /nfs/dbraw/zinc/17/09/38/589170938.db2.gz RTEBOBXPXMHKIB-QMMMGPOBSA-N 1 0 210.281 0.279 20 30 BCEDRO C=CCONC(=O)N[C@H]1CC[NH2+]C12CCC2 ZINC000861636586 589171798 /nfs/dbraw/zinc/17/17/98/589171798.db2.gz RFJOURHYIXSTHP-VIFPVBQESA-N 1 0 225.292 0.688 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1NC(=O)N(C)C[C@@H](C)[NH3+] ZINC000861636888 589171890 /nfs/dbraw/zinc/17/18/90/589171890.db2.gz ZHJTYNUDNKQLOK-MXWKQRLJSA-N 1 0 241.335 0.709 20 30 BCEDRO C#CCNC(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861658732 589173565 /nfs/dbraw/zinc/17/35/65/589173565.db2.gz MTODZKDDNRIZBJ-SECBINFHSA-N 1 0 207.277 0.203 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@@H]1CC[NH2+]C12CCC2 ZINC000861660244 589173660 /nfs/dbraw/zinc/17/36/60/589173660.db2.gz IVNCVQLVZFOOGY-WDEREUQCSA-N 1 0 235.331 0.934 20 30 BCEDRO C#C[C@@H](C)NC(=O)N[C@@H]1CC[NH2+][C@H]1CC ZINC000861673404 589173967 /nfs/dbraw/zinc/17/39/67/589173967.db2.gz MMGNERPTCOAQGQ-KXUCPTDWSA-N 1 0 209.293 0.448 20 30 BCEDRO C#CCN(CC)C(=O)NCC1([NH3+])CCOCC1 ZINC000861669985 589174102 /nfs/dbraw/zinc/17/41/02/589174102.db2.gz HNASTQAYIUNVHE-UHFFFAOYSA-N 1 0 239.319 0.159 20 30 BCEDRO C#C[C@H](CCC)NC(=O)NC[C@@H]1COCC[NH2+]1 ZINC000861683855 589174364 /nfs/dbraw/zinc/17/43/64/589174364.db2.gz BVFPNRUVWFPBHL-GHMZBOCLSA-N 1 0 239.319 0.076 20 30 BCEDRO C#C[C@H](C)N(C)C(=O)N[C@H]1CC[C@H](C)[NH2+]C1 ZINC000861691536 589174590 /nfs/dbraw/zinc/17/45/90/589174590.db2.gz WPZAFAZWPYPARR-DCAQKATOSA-N 1 0 223.320 0.790 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@H]1CC[C@@H](C)[NH2+]C1 ZINC000861686294 589174628 /nfs/dbraw/zinc/17/46/28/589174628.db2.gz NJTWKEGADKSONK-OLZOCXBDSA-N 1 0 247.342 0.795 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)N1CCC(C#N)CC1 ZINC000861701289 589175173 /nfs/dbraw/zinc/17/51/73/589175173.db2.gz QTVSTMBQFFRWAS-GXSJLCMTSA-N 1 0 236.319 0.682 20 30 BCEDRO C#CCO[C@H](C)C(=O)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000861912300 589183602 /nfs/dbraw/zinc/18/36/02/589183602.db2.gz ORJFTKJWNZVBOY-WYUUTHIRSA-N 1 0 236.315 0.043 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C1CC(CC(=O)OC)C1 ZINC000862550228 589220805 /nfs/dbraw/zinc/22/08/05/589220805.db2.gz KGOJDMCMRJTAQP-CXQJBGSLSA-N 1 0 239.315 0.956 20 30 BCEDRO C#CC(=O)NC[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000863034980 589252652 /nfs/dbraw/zinc/25/26/52/589252652.db2.gz QWMYYVOHIRBCHX-NSHDSACASA-N 1 0 206.289 0.753 20 30 BCEDRO CNC(=S)NN=C1CC[N@H+](C)C(C)(C)C1 ZINC000863065575 589253993 /nfs/dbraw/zinc/25/39/93/589253993.db2.gz YXTZGTPWBHNPJC-UHFFFAOYSA-N 1 0 228.365 0.941 20 30 BCEDRO NC(=[NH2+])NN=C1CCCc2scnc21 ZINC000863079534 589254645 /nfs/dbraw/zinc/25/46/45/589254645.db2.gz QAXUKSWBQXNCKR-UHFFFAOYSA-N 1 0 209.278 0.667 20 30 BCEDRO CCc1[nH]nc(Cl)c1C=NNC1=[NH+]CCN1 ZINC000863120985 589260394 /nfs/dbraw/zinc/26/03/94/589260394.db2.gz XBGMEUJUNDRMGB-UHFFFAOYSA-N 1 0 240.698 0.508 20 30 BCEDRO C[N@@H+]1CCCC(=Nn2ccc(=O)[nH]c2=O)CC1 ZINC000863185647 589269900 /nfs/dbraw/zinc/26/99/00/589269900.db2.gz YHVXSSTXDKYUMX-UHFFFAOYSA-N 1 0 236.275 0.269 20 30 BCEDRO COCC(COC)NN=C1CCC[N@H+](C)CC1 ZINC000863194520 589270181 /nfs/dbraw/zinc/27/01/81/589270181.db2.gz JMLARKJYJVWPSM-UHFFFAOYSA-N 1 0 243.351 0.709 20 30 BCEDRO C#CC[C@H](COC)NC(=S)NCC[NH+](C)C ZINC000863251152 589274531 /nfs/dbraw/zinc/27/45/31/589274531.db2.gz MFZVSHMIRNQBLK-SNVBAGLBSA-N 1 0 243.376 0.050 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N[C@@H]1CO[C@@H](C2CC2)C1 ZINC000863285251 589276304 /nfs/dbraw/zinc/27/63/04/589276304.db2.gz POHGIMCROQMDNY-NWDGAFQWSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CCOc1ccc(C(=O)N2CC[C@@H]([NH3+])C2)cc1 ZINC000863583818 589301493 /nfs/dbraw/zinc/30/14/93/589301493.db2.gz IKOBBUYZOSLCJM-GFCCVEGCSA-N 1 0 244.294 0.872 20 30 BCEDRO C#CCOc1ccc(C(=O)N[C@H](C)C[NH3+])cc1 ZINC000863584519 589301704 /nfs/dbraw/zinc/30/17/04/589301704.db2.gz GARJKZHVDWJWPD-SNVBAGLBSA-N 1 0 232.283 0.776 20 30 BCEDRO C#CCOc1ccc(C(=O)N(C)CC[NH2+]C)cc1 ZINC000863585421 589302081 /nfs/dbraw/zinc/30/20/81/589302081.db2.gz YCKBDXPBDUHORB-UHFFFAOYSA-N 1 0 246.310 0.990 20 30 BCEDRO C#CCOc1ccc(C(=O)NCC2C[NH2+]C2)cc1 ZINC000863585267 589302148 /nfs/dbraw/zinc/30/21/48/589302148.db2.gz TZMQMOJOTSOOFC-UHFFFAOYSA-N 1 0 244.294 0.648 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]CCC(=O)N(C)OC ZINC000863590192 589302574 /nfs/dbraw/zinc/30/25/74/589302574.db2.gz GQCCQTFRIJTKSO-JTQLQIEISA-N 1 0 228.292 0.024 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC#C)CCOC ZINC000863588457 589302612 /nfs/dbraw/zinc/30/26/12/589302612.db2.gz AEMVDMHJJSHZJP-GFCCVEGCSA-N 1 0 236.315 0.144 20 30 BCEDRO C#CC[C@@H](CCOC)[NH2+]C[C@@H](O)C(F)(F)F ZINC000863588973 589302728 /nfs/dbraw/zinc/30/27/28/589302728.db2.gz IQVOPPPIKALIBO-DTWKUNHWSA-N 1 0 239.237 0.928 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C[C@H](O)c1ccccn1 ZINC000863589085 589302858 /nfs/dbraw/zinc/30/28/58/589302858.db2.gz JMPZDBMYYMXWFD-AAEUAGOBSA-N 1 0 234.299 0.743 20 30 BCEDRO C#CC[C@@H](CCOC)NC(=O)C[NH+](CC)CC ZINC000863786661 589318060 /nfs/dbraw/zinc/31/80/60/589318060.db2.gz FPNMEPQARLKBRE-LBPRGKRZSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)C[N@H+](C)C(C)C ZINC000863798479 589319139 /nfs/dbraw/zinc/31/91/39/589319139.db2.gz LWYWOIZCSPKYOA-NSHDSACASA-N 1 0 226.320 0.481 20 30 BCEDRO C#CC[C@H](COC)NC(=O)C[N@@H+](CC)C1CC1 ZINC000863803599 589319918 /nfs/dbraw/zinc/31/99/18/589319918.db2.gz SPASZXMRNZUEQM-LLVKDONJSA-N 1 0 238.331 0.625 20 30 BCEDRO C=CC[C@H](CO)CNC(=O)C[N@@H+](C)C1CCC1 ZINC000863902736 589324858 /nfs/dbraw/zinc/32/48/58/589324858.db2.gz KNJTVCXVIWINHY-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO CNC(NC[C@@H](C)CC1(C)OCCO1)=[NH+]C ZINC000864357967 589355605 /nfs/dbraw/zinc/35/56/05/589355605.db2.gz BSDAASIXXLHTDR-VIFPVBQESA-N 1 0 229.324 0.570 20 30 BCEDRO C=CCS(=O)(=O)CCNC(=[NH2+])N[C@H]1C[C@H]1C ZINC000864461662 589369183 /nfs/dbraw/zinc/36/91/83/589369183.db2.gz FUNCPHNZDOWEFI-BDAKNGLRSA-N 1 0 245.348 0.110 20 30 BCEDRO C=CCNC(=O)CNC(=[NH2+])NC(CC)CC ZINC000864462336 589369608 /nfs/dbraw/zinc/36/96/08/589369608.db2.gz MHJGVRPBJHOHQO-UHFFFAOYSA-N 1 0 226.324 0.591 20 30 BCEDRO C=CC[C@H](CO)CNC(=[NH2+])N[C@@H]1C[C@@H]1C ZINC000864463307 589369938 /nfs/dbraw/zinc/36/99/38/589369938.db2.gz VDQAHJUIBDBJSK-LPEHRKFASA-N 1 0 211.309 0.693 20 30 BCEDRO C[C@@H](C#N)NC(=O)[C@@H]1CCCN(CC(F)F)C1 ZINC000865028304 589405450 /nfs/dbraw/zinc/40/54/50/589405450.db2.gz GCCGPDVBZAPWCL-DTWKUNHWSA-N 1 0 245.273 0.992 20 30 BCEDRO C#C[C@@H](C)NC(=O)[C@H]1CC[N@H+](C)[C@@H]1CC ZINC000867502050 589523398 /nfs/dbraw/zinc/52/33/98/589523398.db2.gz PLUYJZALLGDCFU-OUAUKWLOSA-N 1 0 208.305 0.855 20 30 BCEDRO C#C[C@H](C)NC(=O)c1cnn(CC[NH+](C)C)c1 ZINC000867501897 589523458 /nfs/dbraw/zinc/52/34/58/589523458.db2.gz NENXQCYDPOUKCW-JTQLQIEISA-N 1 0 234.303 0.196 20 30 BCEDRO C[NH+]1CC2(C1)CCN(C(=O)c1coc(C#N)c1)C2 ZINC000867834156 589536186 /nfs/dbraw/zinc/53/61/86/589536186.db2.gz RLTUZRCQJAGPJK-UHFFFAOYSA-N 1 0 245.282 0.929 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[C@@H](F)[C@H]([NH3+])C2)co1 ZINC000867986669 589542719 /nfs/dbraw/zinc/54/27/19/589542719.db2.gz CTHZLVYKPUSZOB-NXEZZACHSA-N 1 0 237.234 0.663 20 30 BCEDRO C[NH+](C)CCONC(=O)c1coc(C#N)c1 ZINC000868628320 589569095 /nfs/dbraw/zinc/56/90/95/589569095.db2.gz RQHRVFQSJRTWIU-UHFFFAOYSA-N 1 0 223.232 0.374 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1conc1C ZINC000868669394 589571666 /nfs/dbraw/zinc/57/16/66/589571666.db2.gz XPNMXFXKGMULNQ-UHFFFAOYSA-N 1 0 223.276 0.717 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)NC2(C)COC2)CC1 ZINC000870664235 589680836 /nfs/dbraw/zinc/68/08/36/589680836.db2.gz HMRRXFKVSHBWGH-UHFFFAOYSA-N 1 0 236.315 0.237 20 30 BCEDRO N#Cc1c[nH]nc1NC(=O)CCC12CC(C1)C[NH2+]2 ZINC000870916686 589696623 /nfs/dbraw/zinc/69/66/23/589696623.db2.gz KILWTJCHDHZNSH-UHFFFAOYSA-N 1 0 245.286 0.752 20 30 BCEDRO N#Cc1cc(C(=O)NCC2([NH3+])CCC2)co1 ZINC000870913471 589696793 /nfs/dbraw/zinc/69/67/93/589696793.db2.gz VTLVZJRFRKSQHY-UHFFFAOYSA-N 1 0 219.244 0.762 20 30 BCEDRO N#Cc1cc(C(=O)N2CC[C@H]3[NH2+]CC[C@H]3C2)co1 ZINC000870913490 589696939 /nfs/dbraw/zinc/69/69/39/589696939.db2.gz CAQZWCZDPHPTMA-JOYOIKCWSA-N 1 0 245.282 0.975 20 30 BCEDRO N#CCc1ccsc1C(=O)N1CC[C@@H]([NH3+])C1 ZINC000870932446 589698166 /nfs/dbraw/zinc/69/81/66/589698166.db2.gz FNWJMKHUVRVGFI-SECBINFHSA-N 1 0 235.312 0.987 20 30 BCEDRO N#Cc1cc(C(=O)N2CCC[C@H](C[NH3+])C2)co1 ZINC000870934248 589698222 /nfs/dbraw/zinc/69/82/22/589698222.db2.gz IFZJBVKRTZJXIG-SECBINFHSA-N 1 0 233.271 0.962 20 30 BCEDRO CC[NH2+]CCNC(=O)c1coc(C#N)c1 ZINC000870935099 589698359 /nfs/dbraw/zinc/69/83/59/589698359.db2.gz JJLBKUSZVSWRCY-UHFFFAOYSA-N 1 0 207.233 0.491 20 30 BCEDRO C[C@H]1C[NH2+]CC[C@@H]1NC(=O)c1coc(C#N)c1 ZINC000870940036 589699205 /nfs/dbraw/zinc/69/92/05/589699205.db2.gz GYUOOBGZAVTNMD-KWQFWETISA-N 1 0 233.271 0.879 20 30 BCEDRO Cc1cnc(F)c(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000870941632 589699521 /nfs/dbraw/zinc/69/95/21/589699521.db2.gz XEZWTAAHHVVUJU-WPRPVWTQSA-N 1 0 248.261 0.371 20 30 BCEDRO CC[C@@H]([NH3+])CNC(=O)c1coc(C#N)c1 ZINC000870946352 589700337 /nfs/dbraw/zinc/70/03/37/589700337.db2.gz HEGDHXDKZBDVHF-MRVPVSSYSA-N 1 0 207.233 0.618 20 30 BCEDRO N#Cc1cc(C(=O)NC[C@@H]2C[NH2+]CCCO2)co1 ZINC000870945935 589700376 /nfs/dbraw/zinc/70/03/76/589700376.db2.gz ZBAXEPWNJSIPHF-NSHDSACASA-N 1 0 249.270 0.260 20 30 BCEDRO C[C@H]([NH3+])[C@H](C)NC(=O)c1coc(C#N)c1 ZINC000870947691 589700610 /nfs/dbraw/zinc/70/06/10/589700610.db2.gz RWAFJQDYCHRTTK-BQBZGAKWSA-N 1 0 207.233 0.617 20 30 BCEDRO C[NH2+]CCC(=O)N[C@@H]1Cc2ccc(C#N)cc2C1 ZINC000871012417 589711372 /nfs/dbraw/zinc/71/13/72/589711372.db2.gz SOLKWIIKSIBFCP-CYBMUJFWSA-N 1 0 243.310 0.751 20 30 BCEDRO C#CC[NH+]1CCC(C(=O)N[C@H](C)CCO)CC1 ZINC000123555663 589752602 /nfs/dbraw/zinc/75/26/02/589752602.db2.gz VJUWUFPYKQLSTP-LLVKDONJSA-N 1 0 238.331 0.219 20 30 BCEDRO CCNC(NCCC[C@@H]1CCOC1=O)=[NH+]CC ZINC000871603361 589773486 /nfs/dbraw/zinc/77/34/86/589773486.db2.gz PJZPZQYXNMNJBS-SNVBAGLBSA-N 1 0 241.335 0.905 20 30 BCEDRO COCCN(C)C(=[NH2+])NCc1ccc(C#N)cn1 ZINC000871604308 589773914 /nfs/dbraw/zinc/77/39/14/589773914.db2.gz AEVGGWVDPQCCSH-UHFFFAOYSA-N 1 0 247.302 0.556 20 30 BCEDRO Cc1ccc(S(=O)(=O)NCC[NH3+])c(C#N)c1 ZINC000871803854 589821018 /nfs/dbraw/zinc/82/10/18/589821018.db2.gz VJVFXENUVXXPSA-UHFFFAOYSA-N 1 0 239.300 0.104 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@H]1CCCn2nccc21 ZINC000871930666 589833562 /nfs/dbraw/zinc/83/35/62/589833562.db2.gz ZDCJDKCCPYEIFJ-QWRGUYRKSA-N 1 0 246.314 0.446 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@H]1C[C@@H](C)O ZINC000123895430 589849840 /nfs/dbraw/zinc/84/98/40/589849840.db2.gz KXLVXAKHSMBTGN-NEPJUHHUSA-N 1 0 238.331 0.361 20 30 BCEDRO CC(C)(O)C[C@@H](O)C[NH+]1CC(CC#N)C1 ZINC000871983238 589852656 /nfs/dbraw/zinc/85/26/56/589852656.db2.gz XZTQWRVPKRYPJL-SNVBAGLBSA-N 1 0 212.293 0.354 20 30 BCEDRO C#CCNC(=O)CC[NH+]1CC(Cc2ccco2)C1 ZINC000871985583 589852816 /nfs/dbraw/zinc/85/28/16/589852816.db2.gz UUKNOVHFGUWFPU-UHFFFAOYSA-N 1 0 246.310 0.893 20 30 BCEDRO N#C[C@@H]1CCC[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)C1 ZINC000872140884 589881667 /nfs/dbraw/zinc/88/16/67/589881667.db2.gz BZHVVCJDWAHSBZ-DDHJBXDOSA-N 1 0 224.304 0.808 20 30 BCEDRO N#C[C@@H]1CC[C@@H]([NH2+][C@@H]2CCOC[C@H]2O)C1 ZINC000872141093 589881786 /nfs/dbraw/zinc/88/17/86/589881786.db2.gz LKDNEXFEEDRORB-GWOFURMSSA-N 1 0 210.277 0.418 20 30 BCEDRO C#CCCC[NH2+]C[C@@H](O)CC1(O)CCOCC1 ZINC000872203603 589891029 /nfs/dbraw/zinc/89/10/29/589891029.db2.gz KFEMHFRQMSKXGS-LBPRGKRZSA-N 1 0 241.331 0.282 20 30 BCEDRO C#CCSCC[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872204169 589891840 /nfs/dbraw/zinc/89/18/40/589891840.db2.gz LMHDXUMSFXHKHE-JTQLQIEISA-N 1 0 231.361 0.464 20 30 BCEDRO C#C[C@@H]([NH2+]C[C@@H](O)COC(C)C)[C@H]1CCCO1 ZINC000872205940 589892296 /nfs/dbraw/zinc/89/22/96/589892296.db2.gz MKOPZQSXJQNHJX-JHJVBQTASA-N 1 0 241.331 0.543 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872209347 589893264 /nfs/dbraw/zinc/89/32/64/589893264.db2.gz OSTZEKFNBLQKQP-AXFHLTTASA-N 1 0 229.320 0.441 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CC(C)(C)F ZINC000872216854 589895071 /nfs/dbraw/zinc/89/50/71/589895071.db2.gz GWSQPBUVLOIMAF-UHFFFAOYSA-N 1 0 200.257 0.464 20 30 BCEDRO C#CC[C@H](CCOC)[NH2+]C[C@@H](O)CC(C)(C)O ZINC000872216027 589895329 /nfs/dbraw/zinc/89/53/29/589895329.db2.gz MIBUAYWXRTWXMV-NEPJUHHUSA-N 1 0 243.347 0.526 20 30 BCEDRO C[C@H](O)C[NH2+][C@@H]1Cc2ccc(C#N)cc2C1 ZINC000872238625 589899133 /nfs/dbraw/zinc/89/91/33/589899133.db2.gz IYIVRWSQHTZCEB-TVQRCGJNSA-N 1 0 216.284 0.996 20 30 BCEDRO C#CCNC(=O)CC[NH2+][C@H](CC)C[C@H](C)O ZINC000872240941 589899463 /nfs/dbraw/zinc/89/94/63/589899463.db2.gz KIIDJZXANXNTIK-WDEREUQCSA-N 1 0 226.320 0.265 20 30 BCEDRO C[C@H]1C(N=Nc2cnccn2)CC[N@@H+]1C ZINC000872341670 589915109 /nfs/dbraw/zinc/91/51/09/589915109.db2.gz WPWSUMAAIVBIFZ-QMMMGPOBSA-N 1 0 205.265 0.969 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1cn(C)cn1 ZINC000872364954 589920412 /nfs/dbraw/zinc/92/04/12/589920412.db2.gz XXFDKRBZXYEFKY-SSDOTTSWSA-N 1 0 220.280 0.081 20 30 BCEDRO F[C@@H]1COc2ccccc2C1=NNC1=[NH+]CCN1 ZINC000872385770 589929180 /nfs/dbraw/zinc/92/91/80/589929180.db2.gz PIYLRDSLQHCDJH-SECBINFHSA-N 1 0 248.261 0.670 20 30 BCEDRO Cn1nc2c(c1C=NNC1=[NH+]CCN1)CCCC2 ZINC000872385218 589929233 /nfs/dbraw/zinc/92/92/33/589929233.db2.gz BJYHAGYJUYOUIZ-UHFFFAOYSA-N 1 0 246.318 0.182 20 30 BCEDRO C(=NNC1=[NH+]CCN1)c1ccnn1CC1CCC1 ZINC000872385579 589929497 /nfs/dbraw/zinc/92/94/97/589929497.db2.gz IVPVKVJVTSMIOM-UHFFFAOYSA-N 1 0 246.318 0.566 20 30 BCEDRO Cc1nnc(N=NC2CC[N@H+](C)[C@H]2C)n1C ZINC000872390784 589931088 /nfs/dbraw/zinc/93/10/88/589931088.db2.gz RCZSUJIYBSAMPJ-ZETCQYMHSA-N 1 0 222.296 0.615 20 30 BCEDRO Cc1cc(N=NC2C[C@@H](C)[N@@H+](C)C2)nc(N)n1 ZINC000872420948 589937739 /nfs/dbraw/zinc/93/77/39/589937739.db2.gz SDWHNIMREZVEOV-MRVPVSSYSA-N 1 0 234.307 0.859 20 30 BCEDRO N#C[C@H]1CC[C@@H]([NH2+]Cc2cnc(N)cn2)C1 ZINC000873212947 589997132 /nfs/dbraw/zinc/99/71/32/589997132.db2.gz DFPORNAGHBPNAA-DTWKUNHWSA-N 1 0 217.276 0.841 20 30 BCEDRO C#CCNC(=O)[C@@H]1CC[N@@H+]1C1CCCC1 ZINC000873821152 590072952 /nfs/dbraw/zinc/07/29/52/590072952.db2.gz FDVRURPFKYXDSF-NSHDSACASA-N 1 0 206.289 0.753 20 30 BCEDRO C#CCN1CCN(C(=O)C[C@@H]2CC[N@@H+](C)C2)CC1 ZINC000874468953 590114439 /nfs/dbraw/zinc/11/44/39/590114439.db2.gz WOCQVDRJZPBXPE-ZDUSSCGKSA-N 1 0 249.358 0.106 20 30 BCEDRO CC#CC(=O)N1CC[C@H]2[C@@H]1CCC[N@@H+]2C ZINC000874827025 590138510 /nfs/dbraw/zinc/13/85/10/590138510.db2.gz AHGBVLIPEWPZDT-QWRGUYRKSA-N 1 0 206.289 0.705 20 30 BCEDRO CC#CC(=O)N1CC[C@@H]2[C@H]1CCC[N@@H+]2C ZINC000874827023 590142153 /nfs/dbraw/zinc/14/21/53/590142153.db2.gz AHGBVLIPEWPZDT-GHMZBOCLSA-N 1 0 206.289 0.705 20 30 BCEDRO C=CCOCC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000874840331 590144768 /nfs/dbraw/zinc/14/47/68/590144768.db2.gz MGWMTHPEFPGUGC-NWDGAFQWSA-N 1 0 238.331 0.884 20 30 BCEDRO C=CCOCC(=O)N1CC[C@@H]2[C@H]1CCC[N@H+]2C ZINC000874840333 590145634 /nfs/dbraw/zinc/14/56/34/590145634.db2.gz MGWMTHPEFPGUGC-VXGBXAGGSA-N 1 0 238.331 0.884 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)N(C)CC[NH+](C)C ZINC000875924789 590177746 /nfs/dbraw/zinc/17/77/46/590177746.db2.gz VVDICAKSYQTTAW-NSHDSACASA-N 1 0 241.335 0.228 20 30 BCEDRO CC(C)(C)C#CC(=O)N1CCC[NH2+]CC1 ZINC000876506685 590204510 /nfs/dbraw/zinc/20/45/10/590204510.db2.gz XTKVPMPBOABMKA-UHFFFAOYSA-N 1 0 208.305 0.858 20 30 BCEDRO C[C@H](NC(=O)C#CC1CC1)[C@H]1CCC[NH2+]C1 ZINC000876516412 590206565 /nfs/dbraw/zinc/20/65/65/590206565.db2.gz RJCKKVVOBKJCIE-JQWIXIFHSA-N 1 0 220.316 0.904 20 30 BCEDRO C[C@H]([NH3+])C1CCN(C(=O)C#CC2CC2)CC1 ZINC000876523130 590207808 /nfs/dbraw/zinc/20/78/08/590207808.db2.gz LZXRAYVKGMQJFP-JTQLQIEISA-N 1 0 220.316 0.986 20 30 BCEDRO C[C@@H]1CN(C(=O)C#CC2CC2)C[C@@H](C)[NH2+]1 ZINC000876530065 590209967 /nfs/dbraw/zinc/20/99/67/590209967.db2.gz JVLHSCCXFKIPSQ-NXEZZACHSA-N 1 0 206.289 0.609 20 30 BCEDRO CC(C)C[C@H](C[NH3+])NC(=O)C#CC1CC1 ZINC000876533587 590210910 /nfs/dbraw/zinc/21/09/10/590210910.db2.gz UBYHJGZUBMNUEA-LLVKDONJSA-N 1 0 208.305 0.889 20 30 BCEDRO C[C@@H]1CN(C(=O)C#CC2CC2)CC[C@H]1[NH3+] ZINC000876533762 590210955 /nfs/dbraw/zinc/21/09/55/590210955.db2.gz VSKNLGODJJQJBS-MWLCHTKSSA-N 1 0 206.289 0.596 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCCOC ZINC000876544143 590212737 /nfs/dbraw/zinc/21/27/37/590212737.db2.gz OHMQDAGYDNEZOL-ZETCQYMHSA-N 1 0 206.673 0.219 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N(C)CC(=O)N(C)C ZINC000876560937 590215711 /nfs/dbraw/zinc/21/57/11/590215711.db2.gz GVNHXSUNCOWQNV-QMMMGPOBSA-N 1 0 247.726 0.003 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NCC(=O)OCC ZINC000876576834 590217661 /nfs/dbraw/zinc/21/76/61/590217661.db2.gz RGOSWWRJUZEWHC-ZETCQYMHSA-N 1 0 234.683 0.136 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(CC)CC(=O)NC ZINC000876589326 590219356 /nfs/dbraw/zinc/21/93/56/590219356.db2.gz KFZLDOSCKCGWNB-MRVPVSSYSA-N 1 0 247.726 0.051 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)Nc1cnn(C)c1 ZINC000876596261 590219838 /nfs/dbraw/zinc/21/98/38/590219838.db2.gz GRWUPYHVLBDKFR-MRVPVSSYSA-N 1 0 228.683 0.829 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1cnn(C)c1 ZINC000876596263 590219956 /nfs/dbraw/zinc/21/99/56/590219956.db2.gz GRWUPYHVLBDKFR-QMMMGPOBSA-N 1 0 228.683 0.829 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC(C)(C)COC ZINC000876632217 590224417 /nfs/dbraw/zinc/22/44/17/590224417.db2.gz QINAMSLKQMCUHM-QMMMGPOBSA-N 1 0 234.727 0.998 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CCOC ZINC000876636986 590224879 /nfs/dbraw/zinc/22/48/79/590224879.db2.gz HRJWJZABRCCYSM-DTWKUNHWSA-N 1 0 234.727 0.998 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)CCOC ZINC000876636988 590225331 /nfs/dbraw/zinc/22/53/31/590225331.db2.gz HRJWJZABRCCYSM-IUCAKERBSA-N 1 0 234.727 0.998 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N(C)[C@@H]1CCOC1 ZINC000876647185 590225619 /nfs/dbraw/zinc/22/56/19/590225619.db2.gz ILZMVYPOOSRQEJ-RKDXNWHRSA-N 1 0 232.711 0.704 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1CC[C@H](COC)C1 ZINC000876657147 590226621 /nfs/dbraw/zinc/22/66/21/590226621.db2.gz YVTCXWIBLOYJQY-UWVGGRQHSA-N 1 0 246.738 0.951 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NCC1(CO)CC1 ZINC000876656592 590226810 /nfs/dbraw/zinc/22/68/10/590226810.db2.gz QQYHZNSNNMWROZ-MRVPVSSYSA-N 1 0 232.711 0.345 20 30 BCEDRO C#CCCCCCC[N@@H+]1CCO[C@@H](C(N)=O)C1 ZINC000876658270 590226841 /nfs/dbraw/zinc/22/68/41/590226841.db2.gz RHRWDKMYEGSTKF-GFCCVEGCSA-N 1 0 238.331 0.756 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H](F)[C@@H]1CC[NH2+]C1 ZINC000876668908 590227080 /nfs/dbraw/zinc/22/70/80/590227080.db2.gz VFVFAXWXWANAEW-SFYZADRCSA-N 1 0 220.675 0.803 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H](O)CCC ZINC000876659105 590227548 /nfs/dbraw/zinc/22/75/48/590227548.db2.gz NOSXNGMNNGVYCB-BDAKNGLRSA-N 1 0 234.727 0.734 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](C)CCCO ZINC000876669017 590228109 /nfs/dbraw/zinc/22/81/09/590228109.db2.gz YPEFFKKVJUAEPO-DTWKUNHWSA-N 1 0 234.727 0.734 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)NC[C@H](O)CC(C)C ZINC000876675129 590229128 /nfs/dbraw/zinc/22/91/28/590229128.db2.gz DLQCFOZSKQLHSS-NXEZZACHSA-N 1 0 248.754 0.980 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@H](C)c1nc[nH]n1 ZINC000876778964 590240186 /nfs/dbraw/zinc/24/01/86/590240186.db2.gz SULSIPWAFQJDHD-RNFRBKRXSA-N 1 0 243.698 0.452 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N1C[C@@H](C[NH3+])C[C@H]1C ZINC000876788632 590240950 /nfs/dbraw/zinc/24/09/50/590240950.db2.gz PVJMMZJRDUFFJB-BBBLOLIVSA-N 1 0 245.754 0.652 20 30 BCEDRO C[C@@H]1C[C@H](C[NH3+])CN1C(=O)C#CC1CC1 ZINC000876786695 590241090 /nfs/dbraw/zinc/24/10/90/590241090.db2.gz AWTXBFLGPMWCLJ-MWLCHTKSSA-N 1 0 206.289 0.596 20 30 BCEDRO CCC(C#N)(CC)C(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876801913 590243027 /nfs/dbraw/zinc/24/30/27/590243027.db2.gz KHQWHVKKSYOKQP-NXEZZACHSA-N 1 0 234.303 0.544 20 30 BCEDRO CNc1ccccc1C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000876801920 590243144 /nfs/dbraw/zinc/24/31/44/590243144.db2.gz KJSLBJONDHTXES-SKDRFNHKSA-N 1 0 244.298 0.570 20 30 BCEDRO CCn1cc(C(=O)N[C@@H]2C[NH2+]C[C@H]2C#N)c(C)n1 ZINC000876802301 590243310 /nfs/dbraw/zinc/24/33/10/590243310.db2.gz NTCZJPFNRBVSQC-MWLCHTKSSA-N 1 0 247.302 0.053 20 30 BCEDRO CC(C)=C(C)CC(=O)N[C@@H]1C[NH2+]C[C@H]1C#N ZINC000876803079 590244024 /nfs/dbraw/zinc/24/40/24/590244024.db2.gz ULTSONZVFLPYPU-GHMZBOCLSA-N 1 0 221.304 0.961 20 30 BCEDRO CC1(C(=O)N[C@H]2C[NH2+]C[C@H]2C#N)CC(F)(F)C1 ZINC000876803893 590244052 /nfs/dbraw/zinc/24/40/52/590244052.db2.gz YUODRKMIRNEQHT-SFYZADRCSA-N 1 0 243.257 0.650 20 30 BCEDRO CNc1cccc(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)c1 ZINC000876803019 590244137 /nfs/dbraw/zinc/24/41/37/590244137.db2.gz UEKMTBFPVQVYJQ-JQWIXIFHSA-N 1 0 244.298 0.570 20 30 BCEDRO CC(C)(C)[C@@H]1C[C@H]1C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000876803027 590244154 /nfs/dbraw/zinc/24/41/54/590244154.db2.gz UFKWDCCQLBCEPS-LNFKQOIKSA-N 1 0 235.331 0.896 20 30 BCEDRO C[C@H]1[NH2+]CCN(C(=O)c2coc(C#N)c2)[C@@H]1C ZINC000876831972 590247672 /nfs/dbraw/zinc/24/76/72/590247672.db2.gz MJBBBXHWHOUBLX-RKDXNWHRSA-N 1 0 233.271 0.974 20 30 BCEDRO COC[C@@]1(CNC(=O)C#CC2CC2)CCC[NH2+]1 ZINC000876849733 590249359 /nfs/dbraw/zinc/24/93/59/590249359.db2.gz XHGQQRWQMNZOLJ-ZDUSSCGKSA-N 1 0 236.315 0.285 20 30 BCEDRO [NH3+]CC[C@@H](NC(=O)C#CC1CC1)C(F)F ZINC000876864537 590250884 /nfs/dbraw/zinc/25/08/84/590250884.db2.gz UDQVQLCZEODDJC-MRVPVSSYSA-N 1 0 216.231 0.499 20 30 BCEDRO O=C(C#CC1CC1)N[C@@H]1C[NH2+]CCC1(F)F ZINC000876866986 590251335 /nfs/dbraw/zinc/25/13/35/590251335.db2.gz ZOGAIHQIJMWZHW-SECBINFHSA-N 1 0 228.242 0.513 20 30 BCEDRO CC1(C)C[NH2+]CC[C@@H]1NC(=O)C#CC1CC1 ZINC000876871685 590251810 /nfs/dbraw/zinc/25/18/10/590251810.db2.gz XYRQUSGTAMCROC-NSHDSACASA-N 1 0 220.316 0.904 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H]1CCCC[C@H]1O ZINC000876880819 590252959 /nfs/dbraw/zinc/25/29/59/590252959.db2.gz NMVOEYNFXHMXER-IVZWLZJFSA-N 1 0 246.738 0.876 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)Nc1nnc(C)n1C ZINC000876905553 590255967 /nfs/dbraw/zinc/25/59/67/590255967.db2.gz ITKJQHPTJCKKEV-ZETCQYMHSA-N 1 0 243.698 0.532 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)N[C@@H](C)[C@@H](C)OC ZINC000876908503 590256110 /nfs/dbraw/zinc/25/61/10/590256110.db2.gz NEHDRJQXMRFNSC-YIZRAAEISA-N 1 0 234.727 0.996 20 30 BCEDRO C[C@H](CCC#N)C[NH2+]C[C@H]1COCCO1 ZINC000876950016 590259697 /nfs/dbraw/zinc/25/96/97/590259697.db2.gz CNXLQBRQUPXSSU-MNOVXSKESA-N 1 0 212.293 0.931 20 30 BCEDRO C=C(Cl)C[C@@H]([NH3+])C(=O)N[C@@H](CO)C1CCC1 ZINC000876959251 590261577 /nfs/dbraw/zinc/26/15/77/590261577.db2.gz QVTCHAPKRJJZDV-ZJUUUORDSA-N 1 0 246.738 0.734 20 30 BCEDRO C=CCOCCCNC(=O)[C@H](F)[C@H]1CC[NH2+]C1 ZINC000876968905 590262622 /nfs/dbraw/zinc/26/26/22/590262622.db2.gz UWUVWXOAWNNWJV-WDEREUQCSA-N 1 0 244.310 0.643 20 30 BCEDRO C[C@@H]1CCN(C(=O)C#CC2CC2)[C@H](C[NH3+])C1 ZINC000876971778 590262832 /nfs/dbraw/zinc/26/28/32/590262832.db2.gz LMZLFTVWWPTDTK-PWSUYJOCSA-N 1 0 220.316 0.986 20 30 BCEDRO C[NH2+]C[C@@H](C)NC(=O)c1coc(C#N)c1 ZINC000876978190 590263920 /nfs/dbraw/zinc/26/39/20/590263920.db2.gz KUTHHTBAXMXQAL-SSDOTTSWSA-N 1 0 207.233 0.489 20 30 BCEDRO CC(C)(C)C#CC(=O)NCC1([NH3+])CCOCC1 ZINC000877014666 590269471 /nfs/dbraw/zinc/26/94/71/590269471.db2.gz LLFORXBXSISTEI-UHFFFAOYSA-N 1 0 238.331 0.660 20 30 BCEDRO C#CCSCC[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000877047626 590274461 /nfs/dbraw/zinc/27/44/61/590274461.db2.gz BWYUUORTLAWCNO-VXGBXAGGSA-N 1 0 243.372 0.994 20 30 BCEDRO C[S@](=O)CCC[NH2+]Cc1cccc(C#N)n1 ZINC000877051701 590274692 /nfs/dbraw/zinc/27/46/92/590274692.db2.gz MMDDEKBBELHIRK-INIZCTEOSA-N 1 0 237.328 0.811 20 30 BCEDRO C=C[C@@H](C)[NH2+]Cc1cccc(S(N)(=O)=O)c1 ZINC000877088004 590280484 /nfs/dbraw/zinc/28/04/84/590280484.db2.gz ZGOSMUMXRWQFTP-SECBINFHSA-N 1 0 240.328 0.998 20 30 BCEDRO C[C@H]([NH3+])CN(C)C(=O)C1(C#N)CC2(CC2)C1 ZINC000877107431 590285729 /nfs/dbraw/zinc/28/57/29/590285729.db2.gz FJBFZJZVOKNIPJ-VIFPVBQESA-N 1 0 221.304 0.876 20 30 BCEDRO C[C@@H]1[NH2+]CC[C@H]1NC(=O)C#CC(C)(C)C ZINC000877109183 590287053 /nfs/dbraw/zinc/28/70/53/590287053.db2.gz BOCKXUVVQUMBSA-VHSXEESVSA-N 1 0 208.305 0.903 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)C#CC1CC[NH2+]CC1 ZINC000877145114 590291401 /nfs/dbraw/zinc/29/14/01/590291401.db2.gz DEKHDBWIGOHUMV-LLVKDONJSA-N 1 0 233.315 0.750 20 30 BCEDRO C=C(Cl)C[C@@H](NC(=O)[C@@H](C)[NH3+])C(=O)OCC ZINC000877144566 590291746 /nfs/dbraw/zinc/29/17/46/590291746.db2.gz PVQSYLVJRVLXAC-HTQZYQBOSA-N 1 0 248.710 0.524 20 30 BCEDRO CC(C)(C)C#CC(=O)N1C[C@H]2CC[C@@H](C1)[NH2+]2 ZINC000877172845 590293886 /nfs/dbraw/zinc/29/38/86/590293886.db2.gz XYTQHJXWGPKDAM-PHIMTYICSA-N 1 0 220.316 0.999 20 30 BCEDRO C[C@H]1C[C@H]([NH3+])CN1C(=O)c1coc(C#N)c1 ZINC000877171501 590296202 /nfs/dbraw/zinc/29/62/02/590296202.db2.gz IEMBYFDGROEDHQ-CBAPKCEASA-N 1 0 219.244 0.713 20 30 BCEDRO C[C@@H]1C[C@@H]([NH3+])CN1C(=O)c1coc(C#N)c1 ZINC000877171503 590296331 /nfs/dbraw/zinc/29/63/31/590296331.db2.gz IEMBYFDGROEDHQ-VXNVDRBHSA-N 1 0 219.244 0.713 20 30 BCEDRO CC[NH2+]CC(=O)N(C)[C@H]1CCC[C@H]1C#N ZINC000877197709 590299780 /nfs/dbraw/zinc/29/97/80/590299780.db2.gz WIYVAKTZOQKGKG-UWVGGRQHSA-N 1 0 209.293 0.747 20 30 BCEDRO CN(CCc1cccc(C#N)c1)C(=O)CC[NH3+] ZINC000877223919 590301472 /nfs/dbraw/zinc/30/14/72/590301472.db2.gz QNUCKFHHDUNHLD-UHFFFAOYSA-N 1 0 231.299 0.908 20 30 BCEDRO C=C(Cl)C[C@H]([NH3+])C(=O)NC[C@H]1C[C@@H]([NH3+])C1 ZINC000877242668 590302636 /nfs/dbraw/zinc/30/26/36/590302636.db2.gz VRQZEPACWOXXHV-YIZRAAEISA-N 1 0 231.727 0.310 20 30 BCEDRO C=CCOCC(=O)N1CCC[C@@H]2[NH2+]CC[C@@H]21 ZINC000877280585 590306447 /nfs/dbraw/zinc/30/64/47/590306447.db2.gz HVUBKRCQLUDXNQ-QWRGUYRKSA-N 1 0 224.304 0.542 20 30 BCEDRO C=CCCOCC(=O)N1C[C@@H]2C[NH2+]C[C@]2(C)C1 ZINC000877375810 590319966 /nfs/dbraw/zinc/31/99/66/590319966.db2.gz FMGLSRPAZVPYEF-WCQYABFASA-N 1 0 238.331 0.647 20 30 BCEDRO C#C[C@H]([NH2+][C@@H]1CCCNC(=O)C1)[C@@H]1CCCO1 ZINC000877415749 590324698 /nfs/dbraw/zinc/32/46/98/590324698.db2.gz DYFSEQDEYJQHRI-WOPDTQHZSA-N 1 0 236.315 0.426 20 30 BCEDRO COC[C@@H](O)C[NH2+]Cc1cccc(C#N)n1 ZINC000877505004 590342317 /nfs/dbraw/zinc/34/23/17/590342317.db2.gz NGHWCWUIYSAIFO-NSHDSACASA-N 1 0 221.260 0.050 20 30 BCEDRO C#C[C@H](C)[NH2+]CC(C)(C)N1CCOCC1 ZINC000877514596 590342413 /nfs/dbraw/zinc/34/24/13/590342413.db2.gz PWYFMHQYERSYKO-NSHDSACASA-N 1 0 210.321 0.709 20 30 BCEDRO C#C[C@H]([NH2+][C@H](C)Cn1cncn1)C(C)C ZINC000877513337 590343777 /nfs/dbraw/zinc/34/37/77/590343777.db2.gz ROVFHZOSNJHIPC-MNOVXSKESA-N 1 0 206.293 0.914 20 30 BCEDRO N#Cc1cccc(C[NH2+][C@@H]2CC[C@H]2O)n1 ZINC000877597605 590371007 /nfs/dbraw/zinc/37/10/07/590371007.db2.gz RGQIFXVKWKFYMO-GHMZBOCLSA-N 1 0 203.245 0.566 20 30 BCEDRO C#CC[C@H](COC)[NH2+][C@@H](C)Cn1cncn1 ZINC000877662011 590387439 /nfs/dbraw/zinc/38/74/39/590387439.db2.gz LJBZAEJDAJMHON-WDEREUQCSA-N 1 0 222.292 0.295 20 30 BCEDRO C#CC[C@H](COC)[NH2+]C[C@@H](OC)[C@@H]1CCOC1 ZINC000877661815 590387494 /nfs/dbraw/zinc/38/74/94/590387494.db2.gz IBAFRCGHVVLNLS-JHJVBQTASA-N 1 0 241.331 0.666 20 30 BCEDRO COC(=O)C1CC([NH2+]Cc2cccc(C#N)n2)C1 ZINC000877724154 590402770 /nfs/dbraw/zinc/40/27/70/590402770.db2.gz SXDOKWZAWZCEAL-UHFFFAOYSA-N 1 0 245.282 0.994 20 30 BCEDRO C#CCCCCCC[N@@H+](C)CCS(N)(=O)=O ZINC000877826206 590428198 /nfs/dbraw/zinc/42/81/98/590428198.db2.gz UCNSJXSQIQOSKN-UHFFFAOYSA-N 1 0 246.376 0.790 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCCN(S(C)(=O)=O)CC1 ZINC000877929046 590450102 /nfs/dbraw/zinc/45/01/02/590450102.db2.gz QOPNXJNWAMZACV-NSHDSACASA-N 1 0 246.376 0.918 20 30 BCEDRO C=CC[C@H](C(=O)OC)N1CC[C@@H](C[NH+](C)C)C1 ZINC000878105119 590495089 /nfs/dbraw/zinc/49/50/89/590495089.db2.gz WNZGCIGILYKRCS-NWDGAFQWSA-N 1 0 240.347 0.988 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@H+](C)CC(C)(C)O ZINC000878108664 590496724 /nfs/dbraw/zinc/49/67/24/590496724.db2.gz LZQGNAARCLDCDI-VIFPVBQESA-N 1 0 215.293 0.807 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCO[C@H](CNC(C)=O)C1 ZINC000878112792 590497063 /nfs/dbraw/zinc/49/70/63/590497063.db2.gz OKYGKZPUEAAWHP-CMPLNLGQSA-N 1 0 226.320 0.788 20 30 BCEDRO C=CC[C@@H](C(=O)OC)N(C)[C@@H]1CCN(C)C1=O ZINC000878120933 590499067 /nfs/dbraw/zinc/49/90/67/590499067.db2.gz PPHNVGOKWAEMHM-ZJUUUORDSA-N 1 0 240.303 0.267 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@H](CO)C1 ZINC000878123547 590500339 /nfs/dbraw/zinc/50/03/39/590500339.db2.gz BGDGQJGDQQBHML-VHSXEESVSA-N 1 0 213.277 0.418 20 30 BCEDRO C=CC[C@H](C)[N@H+](C)C[C@H](O)CN1CCOCC1 ZINC000878179415 590517453 /nfs/dbraw/zinc/51/74/53/590517453.db2.gz NMEBNOKHMPLBKZ-STQMWFEESA-N 1 0 242.363 0.576 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCN(C(=O)NC)CC1 ZINC000878261490 590527478 /nfs/dbraw/zinc/52/74/78/590527478.db2.gz AQZCDQHTTNVLDW-SNVBAGLBSA-N 1 0 211.309 0.908 20 30 BCEDRO C=CC[C@@H](C)[N@@H+]1CC[C@@H](S(=O)(=O)NC)C1 ZINC000878289629 590535321 /nfs/dbraw/zinc/53/53/21/590535321.db2.gz DYKJQTCNGFFEQW-NXEZZACHSA-N 1 0 232.349 0.575 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000878314692 590541682 /nfs/dbraw/zinc/54/16/82/590541682.db2.gz SNYGHTAXKWNGCV-SECBINFHSA-N 1 0 232.349 0.704 20 30 BCEDRO C=CC[C@H](C)[NH+]1CCC(S(N)(=O)=O)CC1 ZINC000878314694 590542133 /nfs/dbraw/zinc/54/21/33/590542133.db2.gz SNYGHTAXKWNGCV-VIFPVBQESA-N 1 0 232.349 0.704 20 30 BCEDRO C=CC[C@@H](C(=O)OC)N1CC[N@H+](C)[C@@H](C)C1 ZINC000878317829 590543660 /nfs/dbraw/zinc/54/36/60/590543660.db2.gz WLCPCWJXVOZRJI-QWRGUYRKSA-N 1 0 226.320 0.740 20 30 BCEDRO C#CCCCCC[N@H+]1CCN2C(=O)NC(=O)[C@H]2C1 ZINC000878319620 590545599 /nfs/dbraw/zinc/54/55/99/590545599.db2.gz XOWBPWHAPDPOMM-LLVKDONJSA-N 1 0 249.314 0.416 20 30 BCEDRO C[C@@H]1C[N@H+](Cc2ccc(C#N)o2)C[C@@H]1O ZINC000878335073 590549023 /nfs/dbraw/zinc/54/90/23/590549023.db2.gz HTSVOUQCMRWIDV-KCJUWKMLSA-N 1 0 206.245 0.964 20 30 BCEDRO C[C@]1(C#N)CCCN(CCn2cnnn2)C1 ZINC000878406562 590561658 /nfs/dbraw/zinc/56/16/58/590561658.db2.gz YDBAFOMGJOZADE-SNVBAGLBSA-N 1 0 220.280 0.299 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@H+](C)CC1(O)CCC1 ZINC000878430693 590565990 /nfs/dbraw/zinc/56/59/90/590565990.db2.gz OTEHPUTUSKDIBD-SNVBAGLBSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@@H](C(=O)OC)[N@H+](C)CC1(O)CCC1 ZINC000878430692 590566688 /nfs/dbraw/zinc/56/66/88/590566688.db2.gz OTEHPUTUSKDIBD-JTQLQIEISA-N 1 0 227.304 0.951 20 30 BCEDRO C#CCN(CC(=O)NC1CC[NH+](C)CC1)C1CC1 ZINC000878434158 590567567 /nfs/dbraw/zinc/56/75/67/590567567.db2.gz HOUSUDFYTMIKJI-UHFFFAOYSA-N 1 0 249.358 0.294 20 30 BCEDRO C#C[C@@H]([NH2+]CCc1cnccn1)[C@@H]1CCCO1 ZINC000878453931 590569588 /nfs/dbraw/zinc/56/95/88/590569588.db2.gz PPRLTVVFUHIKQK-OLZOCXBDSA-N 1 0 231.299 0.790 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H]1CCc2ncnn21)[C@H]1CCCO1 ZINC000878454177 590570355 /nfs/dbraw/zinc/57/03/55/590570355.db2.gz UYYJSVJJELYJPQ-GRYCIOLGSA-N 1 0 246.314 0.536 20 30 BCEDRO C#C[C@H]([NH2+]CCc1cnccn1)[C@@H]1CCCO1 ZINC000878453933 590570378 /nfs/dbraw/zinc/57/03/78/590570378.db2.gz PPRLTVVFUHIKQK-STQMWFEESA-N 1 0 231.299 0.790 20 30 BCEDRO C=CC[C@H](C(=O)OC)[N@@H+]1CC[C@](O)(CC)C1 ZINC000878465971 590573011 /nfs/dbraw/zinc/57/30/11/590573011.db2.gz IZAPJNVYVILVJW-ZYHUDNBSSA-N 1 0 227.304 0.951 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1CCN(CCO)[C@H](C)C1 ZINC000878465287 590573285 /nfs/dbraw/zinc/57/32/85/590573285.db2.gz QTSAWNGXNNNDRR-NWDGAFQWSA-N 1 0 212.337 0.949 20 30 BCEDRO N#CCC1(C[N@H+]2C[C@H]3C[C@@]3(CO)C2)CC1 ZINC000878482349 590577003 /nfs/dbraw/zinc/57/70/03/590577003.db2.gz PEHBIIPNBAFBJC-PWSUYJOCSA-N 1 0 206.289 0.994 20 30 BCEDRO C#CC[N@@H+](C)C[C@@H](O)CC1(CO)CCCC1 ZINC000878500477 590580852 /nfs/dbraw/zinc/58/08/52/590580852.db2.gz GQDWIFBWMUPSGB-LBPRGKRZSA-N 1 0 225.332 0.855 20 30 BCEDRO C#C[C@@H](C)[N@H+](C)C[C@@H]1CCc2ncnn21 ZINC000878517528 590585354 /nfs/dbraw/zinc/58/53/54/590585354.db2.gz SLJAGWOJZNLQGM-ZJUUUORDSA-N 1 0 204.277 0.719 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@@H](O)CC1(O)CCOCC1 ZINC000878516950 590585477 /nfs/dbraw/zinc/58/54/77/590585477.db2.gz LXQYDOXAVRVTLG-RYUDHWBXSA-N 1 0 241.331 0.232 20 30 BCEDRO C#C[C@H](C)[N@H+](C)C[C@H]1CCc2ncnn21 ZINC000878517526 590585624 /nfs/dbraw/zinc/58/56/24/590585624.db2.gz SLJAGWOJZNLQGM-VHSXEESVSA-N 1 0 204.277 0.719 20 30 BCEDRO CNC(=O)[C@H]1CC[N@H+](Cc2ccc(C#N)o2)C1 ZINC000878721457 590615712 /nfs/dbraw/zinc/61/57/12/590615712.db2.gz WYERUFJZJRJTSN-VIFPVBQESA-N 1 0 233.271 0.719 20 30 BCEDRO CC(C)[C@@H](O)CC[N@@H+]1CC[C@](O)(CC#N)C1 ZINC000878760640 590619239 /nfs/dbraw/zinc/61/92/39/590619239.db2.gz CXIYGPAAVNLCTE-NWDGAFQWSA-N 1 0 226.320 0.744 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1C[C@@H](O)C[C@H](C(=O)OC)C1 ZINC000878769899 590620247 /nfs/dbraw/zinc/62/02/47/590620247.db2.gz KFUXGAXUFLIBHN-DCAQKATOSA-N 1 0 227.304 0.807 20 30 BCEDRO C=CC[C@H](C)[N@@H+]1C[C@H](O)C[C@H](C(=O)OC)C1 ZINC000878769900 590620650 /nfs/dbraw/zinc/62/06/50/590620650.db2.gz KFUXGAXUFLIBHN-GARJFASQSA-N 1 0 227.304 0.807 20 30 BCEDRO C#CC[N@H+]1CC[C@H](c2cc(=O)[nH]c(=O)[nH]2)C1 ZINC000878796285 590624757 /nfs/dbraw/zinc/62/47/57/590624757.db2.gz GACSDDUUOFIQMZ-QMMMGPOBSA-N 1 0 219.244 0.310 20 30 BCEDRO C#CCOCCN1CCC[C@@](O)(C[NH+](C)C)C1 ZINC000878866223 590634497 /nfs/dbraw/zinc/63/44/97/590634497.db2.gz RSBCAYGCXYPSCI-CYBMUJFWSA-N 1 0 240.347 0.025 20 30 BCEDRO C#CC[NH2+][C@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000878873382 590636326 /nfs/dbraw/zinc/63/63/26/590636326.db2.gz KJORTPIZXDCTLB-NWDGAFQWSA-N 1 0 223.316 0.919 20 30 BCEDRO C#CC[NH2+][C@@H]([C@@H]1CCCO1)C1(CO)CCC1 ZINC000878873383 590636535 /nfs/dbraw/zinc/63/65/35/590636535.db2.gz KJORTPIZXDCTLB-RYUDHWBXSA-N 1 0 223.316 0.919 20 30 BCEDRO C#CCCCCC[NH+]1[C@H](CO)CC[C@H]1CO ZINC000878881742 590637786 /nfs/dbraw/zinc/63/77/86/590637786.db2.gz NXNYROBRYFKFNU-STQMWFEESA-N 1 0 225.332 0.998 20 30 BCEDRO C#CCN(CC1OCCO1)C1CSC1 ZINC000878909445 590645375 /nfs/dbraw/zinc/64/53/75/590645375.db2.gz CVIOEYGFTVNPLD-UHFFFAOYSA-N 1 0 213.302 0.410 20 30 BCEDRO C#CCN(C[C@H](O)C[N@@H+](C)CC)C1CSC1 ZINC000878910209 590646618 /nfs/dbraw/zinc/64/66/18/590646618.db2.gz IUFKWWUWEQFRCQ-GFCCVEGCSA-N 1 0 242.388 0.350 20 30 BCEDRO C=CC[NH+]1CCC([C@@H](F)C(N)=O)CC1 ZINC000879047873 590687151 /nfs/dbraw/zinc/68/71/51/590687151.db2.gz NQAPGAKVBVWVFG-SECBINFHSA-N 1 0 200.257 0.708 20 30 BCEDRO C=C(Cl)C[NH+]1C[C@@]2(C)C(=O)NC(=O)[C@]2(C)C1 ZINC000879156172 590704601 /nfs/dbraw/zinc/70/46/01/590704601.db2.gz OFOJSIXVCCNZJO-QWRGUYRKSA-N 1 0 242.706 0.724 20 30 BCEDRO C#CCNC(=O)[C@H](C)N(C)Cc1c[nH]nc1C ZINC000879185694 590710419 /nfs/dbraw/zinc/71/04/19/590710419.db2.gz SIAVVACUPVPBNN-JTQLQIEISA-N 1 0 234.303 0.288 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@@H](C)c1cnc(C)s1 ZINC000879250278 590720997 /nfs/dbraw/zinc/72/09/97/590720997.db2.gz BOBHKBSZFQSYQV-QMMMGPOBSA-N 1 0 237.328 0.852 20 30 BCEDRO C#CCCC[N@H+]1C[C@@H](OC)C[C@]1(C)CO ZINC000879261222 590724901 /nfs/dbraw/zinc/72/49/01/590724901.db2.gz GWVGSFOIAWMZQI-NWDGAFQWSA-N 1 0 211.305 0.872 20 30 BCEDRO CO[C@@H]1CC[C@H](C)[N@H+](CC(=O)NCCC#N)C1 ZINC000879319317 590740772 /nfs/dbraw/zinc/74/07/72/590740772.db2.gz VJLAYENMDRVWCB-WDEREUQCSA-N 1 0 239.319 0.516 20 30 BCEDRO C[C@@H](C(N)=O)[N@H+](C)CCc1cccc(C#N)c1 ZINC000879433490 590768437 /nfs/dbraw/zinc/76/84/37/590768437.db2.gz USIFIIAZESFCHH-JTQLQIEISA-N 1 0 231.299 0.906 20 30 BCEDRO C=C(C)C[N@H+]1C[C@@H]2C(=O)N(C)C(=O)[C@@H]2C1 ZINC000879532309 590795422 /nfs/dbraw/zinc/79/54/22/590795422.db2.gz STNUFKBTSMUJID-DTORHVGOSA-N 1 0 208.261 0.109 20 30 BCEDRO N#CCNC(=O)C[N@@H+]1CC[C@H]2CSC[C@@H]2C1 ZINC000879556673 590800689 /nfs/dbraw/zinc/80/06/89/590800689.db2.gz GDJMGEQWWQZCED-UWVGGRQHSA-N 1 0 239.344 0.311 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1CC[C@@H]2CSC[C@@H]2C1 ZINC000879556610 590801219 /nfs/dbraw/zinc/80/12/19/590801219.db2.gz JQXWYIZIVLIKGP-MNOVXSKESA-N 1 0 240.372 0.974 20 30 BCEDRO C[N@@H+]1CC[C@H]2CN(CCOCCC#N)CC[C@H]21 ZINC000879578423 590815250 /nfs/dbraw/zinc/81/52/50/590815250.db2.gz DWEOYHLQBUMKCT-QWHCGFSZSA-N 1 0 237.347 0.943 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@H]2[C@@H](CC[N@@H+]2C)C1 ZINC000879582671 590820683 /nfs/dbraw/zinc/82/06/83/590820683.db2.gz STEMFABECWADIC-TUAOUCFPSA-N 1 0 238.331 0.740 20 30 BCEDRO C=C[C@H](C(=O)OC)N1CC[C@H]2[C@H](CC[N@@H+]2C)C1 ZINC000879582676 590820781 /nfs/dbraw/zinc/82/07/81/590820781.db2.gz STEMFABECWADIC-UTUOFQBUSA-N 1 0 238.331 0.740 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1C[C@H](O)CC(C)(C)C1 ZINC000879618396 590832739 /nfs/dbraw/zinc/83/27/39/590832739.db2.gz XTOUNFISFHLURN-GHMZBOCLSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCCC[N@@H+]1CCC[C@@H]2OCCNC(=O)[C@H]21 ZINC000879719863 590854816 /nfs/dbraw/zinc/85/48/16/590854816.db2.gz VBRHYESYNJIIID-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCCC[N@H+]1CC[C@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000879940472 590892117 /nfs/dbraw/zinc/89/21/17/590892117.db2.gz OFFZAGSQPYRIGZ-RYUDHWBXSA-N 1 0 241.356 0.766 20 30 BCEDRO C[C@@H](CCC#N)[NH+]1CCC(CO)(CO)CC1 ZINC000879971024 590900733 /nfs/dbraw/zinc/90/07/33/590900733.db2.gz KJQZCPPECXVUOR-NSHDSACASA-N 1 0 226.320 0.745 20 30 BCEDRO C#CCCC[NH+]1CCC(CO)(CO)CC1 ZINC000879970292 590901452 /nfs/dbraw/zinc/90/14/52/590901452.db2.gz LXRUDTVWXOIZLH-UHFFFAOYSA-N 1 0 211.305 0.467 20 30 BCEDRO C#CCNC(=O)CN[C@@H](C)c1nccnc1C ZINC000880104377 590925785 /nfs/dbraw/zinc/92/57/85/590925785.db2.gz QQQODCDGUVPKBO-JTQLQIEISA-N 1 0 232.287 0.185 20 30 BCEDRO C=CCNC(=O)C[N@H+]1CCC[C@@H](CF)C1 ZINC000880234613 590964213 /nfs/dbraw/zinc/96/42/13/590964213.db2.gz JVRXERSUHZKYMM-JTQLQIEISA-N 1 0 214.284 0.970 20 30 BCEDRO N#CCCNC(=O)C[N@H+]1CC[C@@H](CF)C1 ZINC000880292363 590987877 /nfs/dbraw/zinc/98/78/77/590987877.db2.gz OUDRQTTWXKGYGR-VIFPVBQESA-N 1 0 213.256 0.308 20 30 BCEDRO C=CCOCC[N@@H+](CC(N)=O)C1CCOCC1 ZINC000880395926 591019342 /nfs/dbraw/zinc/01/93/42/591019342.db2.gz UGTBORFDQWCHBY-UHFFFAOYSA-N 1 0 242.319 0.155 20 30 BCEDRO N#Cc1ccc([C@H](O)C[N@@H+]2C[C@H]3C[C@@]3(O)C2)cc1 ZINC000880415984 591026574 /nfs/dbraw/zinc/02/65/74/591026574.db2.gz FGGABCRKAGFISP-MGPQQGTHSA-N 1 0 244.294 0.658 20 30 BCEDRO CO[C@@H]1COCC[C@@H]1[N@H+](C)CCO[C@H](C)C#N ZINC000880437681 591039806 /nfs/dbraw/zinc/03/98/06/591039806.db2.gz PPNOEHPZOMPYAJ-GRYCIOLGSA-N 1 0 242.319 0.651 20 30 BCEDRO C#CCC1(O)CC[NH+]([C@@H]2CCCNC2=O)CC1 ZINC000880481493 591055127 /nfs/dbraw/zinc/05/51/27/591055127.db2.gz VHTKCYQVWPKSTK-LLVKDONJSA-N 1 0 236.315 0.115 20 30 BCEDRO C#CCC1(O)CC[NH+](CCc2cn[nH]n2)CC1 ZINC000880483728 591056510 /nfs/dbraw/zinc/05/65/10/591056510.db2.gz JUDLSVFIFTWFNL-UHFFFAOYSA-N 1 0 234.303 0.197 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@@H]2COCCO2)CC1 ZINC000880483787 591056528 /nfs/dbraw/zinc/05/65/28/591056528.db2.gz KNCHFYATIWARKT-GFCCVEGCSA-N 1 0 239.315 0.252 20 30 BCEDRO C#CCC1(O)CC[NH+](CC[C@H](C)O)CC1 ZINC000880483445 591056594 /nfs/dbraw/zinc/05/65/94/591056594.db2.gz CVKMVTHUOWSIAD-NSHDSACASA-N 1 0 211.305 0.608 20 30 BCEDRO C#CCC1(O)CCN(Cc2cn[nH]n2)CC1 ZINC000880484553 591057886 /nfs/dbraw/zinc/05/78/86/591057886.db2.gz ZVHVBEYZCJCMDZ-UHFFFAOYSA-N 1 0 220.276 0.155 20 30 BCEDRO CC(C)C(N)=[NH+]OCCCS(C)(=O)=O ZINC000128467379 591078212 /nfs/dbraw/zinc/07/82/12/591078212.db2.gz UWKKGICUWKCJEV-UHFFFAOYSA-N 1 0 222.310 0.366 20 30 BCEDRO CC#CCC[N@H+]1CC[C@@](O)(C(=O)OC)C1 ZINC000880567125 591096214 /nfs/dbraw/zinc/09/62/14/591096214.db2.gz WBYPMASWLWHBOU-NSHDSACASA-N 1 0 211.261 0.010 20 30 BCEDRO CON=CC(=O)N1CC[N@H+](C)[C@@H](C(C)(C)C)C1 ZINC000880613295 591111205 /nfs/dbraw/zinc/11/12/05/591111205.db2.gz SKLFOLVHHHHQJT-SNVBAGLBSA-N 1 0 241.335 0.807 20 30 BCEDRO C=CCNC(=O)[C@@H](C)n1cc([C@H](C)[NH3+])nn1 ZINC000881109648 591163943 /nfs/dbraw/zinc/16/39/43/591163943.db2.gz UMKBCFMUECDIJC-JGVFFNPUSA-N 1 0 223.280 0.161 20 30 BCEDRO C=C[C@@H](C(=O)OC)n1cc([C@@H](C)[NH3+])nn1 ZINC000881320372 591189461 /nfs/dbraw/zinc/18/94/61/591189461.db2.gz JDCLFZNQLNYKOL-SVRRBLITSA-N 1 0 210.237 0.198 20 30 BCEDRO C#CC1(F)CN(C(=O)C[N@@H+](C)C2CCC2)C1 ZINC000881938157 591278793 /nfs/dbraw/zinc/27/87/93/591278793.db2.gz DFVFWUTUFIDEAJ-UHFFFAOYSA-N 1 0 224.279 0.654 20 30 BCEDRO C#CC1(F)CN(C(=O)C2(C[NH+](C)C)CC2)C1 ZINC000881940023 591281189 /nfs/dbraw/zinc/28/11/89/591281189.db2.gz RSGILSGAOKWNRX-UHFFFAOYSA-N 1 0 224.279 0.512 20 30 BCEDRO COC[C@](C)([NH3+])CNc1cc(C#N)nc(C)n1 ZINC000881984810 591285366 /nfs/dbraw/zinc/28/53/66/591285366.db2.gz SBAKXTIUYRVNHU-LLVKDONJSA-N 1 0 235.291 0.432 20 30 BCEDRO C#Cc1ccc(C(=O)NC[C@@H]2CC[N@H+]2CC)cn1 ZINC000882486323 591362228 /nfs/dbraw/zinc/36/22/28/591362228.db2.gz QCWPJIUAVPHDEF-ZDUSSCGKSA-N 1 0 243.310 0.887 20 30 BCEDRO C#CCO[C@H](C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000882492679 591372489 /nfs/dbraw/zinc/37/24/89/591372489.db2.gz BSYSXXJDCVCXSG-MNOVXSKESA-N 1 0 224.304 0.235 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)c1ccc(C#N)n1C ZINC000882495238 591374178 /nfs/dbraw/zinc/37/41/78/591374178.db2.gz XBDORCGIHPQIPG-NSHDSACASA-N 1 0 246.314 0.721 20 30 BCEDRO COCC[N@H+]1[C@H](C)CN(CCC#N)C[C@@H]1C ZINC000129736628 591391514 /nfs/dbraw/zinc/39/15/14/591391514.db2.gz ZHVQXFXZFZTEDA-TXEJJXNPSA-N 1 0 225.336 0.941 20 30 BCEDRO C=C(C)C[C@@H](CO)NC(=O)[C@@H]1CCCC[N@H+]1C ZINC000882894642 591467307 /nfs/dbraw/zinc/46/73/07/591467307.db2.gz UWLOFMXAVCHVOI-RYUDHWBXSA-N 1 0 240.347 0.914 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NCc1ncccc1F ZINC000130600199 591486849 /nfs/dbraw/zinc/48/68/49/591486849.db2.gz XPOGXCQIBSGDRV-MRVPVSSYSA-N 1 0 240.282 0.660 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc(C)nc1 ZINC000883123718 591543914 /nfs/dbraw/zinc/54/39/14/591543914.db2.gz IOIKZNPQNLWLFU-LLVKDONJSA-N 1 0 205.261 0.259 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cc2c(cn1)OCCO2 ZINC000883125404 591544150 /nfs/dbraw/zinc/54/41/50/591544150.db2.gz IGSROHXNNTWSHX-SNVBAGLBSA-N 1 0 248.282 0.327 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c2c(nn1C)CCCC2 ZINC000883125190 591544482 /nfs/dbraw/zinc/54/44/82/591544482.db2.gz BOCDWQNQKDOKAR-LLVKDONJSA-N 1 0 247.342 0.773 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cnc([C@@H](C)O)s1 ZINC000883125074 591544554 /nfs/dbraw/zinc/54/45/54/591544554.db2.gz YFLNEGLGSADEFD-RKDXNWHRSA-N 1 0 240.328 0.670 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)[C@@H]1C[C@H]1C(=O)OC ZINC000883125316 591544717 /nfs/dbraw/zinc/54/47/17/591544717.db2.gz FFZDHSLZNJZOIE-CHWFTXMASA-N 1 0 225.288 0.158 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]Cc1cnc(Cl)n1C ZINC000883156351 591556152 /nfs/dbraw/zinc/55/61/52/591556152.db2.gz LXGHLDAJRXGGLA-SECBINFHSA-N 1 0 241.722 0.937 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@H]1CCCS(=O)(=O)C1 ZINC000883389949 591641899 /nfs/dbraw/zinc/64/18/99/591641899.db2.gz CAEWRHXSPZANTG-QWRGUYRKSA-N 1 0 247.360 0.480 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H]1CN(C)C[C@@H]1C ZINC000883390716 591642926 /nfs/dbraw/zinc/64/29/26/591642926.db2.gz RXQCMFXNVUXOIR-QJPTWQEYSA-N 1 0 212.337 0.853 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@@H]1CCN(CCOC)C1 ZINC000883391729 591643819 /nfs/dbraw/zinc/64/38/19/591643819.db2.gz QVJLZWFTRZBCEE-OLZOCXBDSA-N 1 0 242.363 0.624 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+][C@H](C)Cn1cncn1 ZINC000883392831 591644750 /nfs/dbraw/zinc/64/47/50/591644750.db2.gz PJTFBCUNBJAUCB-MNOVXSKESA-N 1 0 224.308 0.583 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]Cc1ncnn1C ZINC000883400835 591647552 /nfs/dbraw/zinc/64/75/52/591647552.db2.gz WLXKQMSCGUKRDK-VIFPVBQESA-N 1 0 210.281 0.232 20 30 BCEDRO C#CCOCCC(=O)N1CCC([NH+](C)C)CC1 ZINC000132733280 591733822 /nfs/dbraw/zinc/73/38/22/591733822.db2.gz GGKVVSHCEVWOBS-UHFFFAOYSA-N 1 0 238.331 0.579 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H]1CC[C@H]1OC ZINC000889334113 591773275 /nfs/dbraw/zinc/77/32/75/591773275.db2.gz KKKSBBYUBVIUOW-WDEREUQCSA-N 1 0 226.320 0.740 20 30 BCEDRO C[NH2+]C[C@H]1CCCN(C(=O)c2ccc(C#N)[nH]2)C1 ZINC000884006448 591794208 /nfs/dbraw/zinc/79/42/08/591794208.db2.gz RIZLANXCHBDCAD-SNVBAGLBSA-N 1 0 246.314 0.958 20 30 BCEDRO CC[NH2+]CCNC(=O)c1ccc(C#N)[nH]1 ZINC000884024064 591804898 /nfs/dbraw/zinc/80/48/98/591804898.db2.gz FYKAPVKMFFAHNQ-UHFFFAOYSA-N 1 0 206.249 0.226 20 30 BCEDRO C[C@@](C[NH3+])(NC(=O)c1ccc(C#N)[nH]1)C1CC1 ZINC000884031101 591814962 /nfs/dbraw/zinc/81/49/62/591814962.db2.gz GNUXYJCFIPWVCD-LBPRGKRZSA-N 1 0 232.287 0.744 20 30 BCEDRO C[C@@H](C[NH3+])N(C)C(=O)c1ccc(C#N)[nH]1 ZINC000884032542 591815836 /nfs/dbraw/zinc/81/58/36/591815836.db2.gz VEMCSOQXTZHPEZ-ZETCQYMHSA-N 1 0 206.249 0.306 20 30 BCEDRO CC(C)[C@H]([NH3+])CNC(=O)c1ccc(C#N)[nH]1 ZINC000884034272 591816433 /nfs/dbraw/zinc/81/64/33/591816433.db2.gz AZMFGFDMPUPRDW-SECBINFHSA-N 1 0 220.276 0.599 20 30 BCEDRO C[C@H]1CN(C(=O)c2ccc(C#N)[nH]2)CC[C@@H]1[NH3+] ZINC000884032723 591816446 /nfs/dbraw/zinc/81/64/46/591816446.db2.gz ANSOCPVXWKXPPE-WPRPVWTQSA-N 1 0 232.287 0.696 20 30 BCEDRO C[NH2+]C[C@@H]1CCCN1C(=O)c1ccc(C#N)[nH]1 ZINC000884040371 591821637 /nfs/dbraw/zinc/82/16/37/591821637.db2.gz RGULSOBFDYFYSJ-JTQLQIEISA-N 1 0 232.287 0.710 20 30 BCEDRO CCCC(N)=NOC[C@@H](O)COC(C)C ZINC000133675292 591847166 /nfs/dbraw/zinc/84/71/66/591847166.db2.gz SXDPQOXDLRQZMW-VIFPVBQESA-N 1 0 218.297 0.861 20 30 BCEDRO C=CCOC(=O)[C@@H](N)CC(=O)NCC1CCC1 ZINC000884082342 591847217 /nfs/dbraw/zinc/84/72/17/591847217.db2.gz CMFYXJHJPOYVRL-JTQLQIEISA-N 1 0 240.303 0.349 20 30 BCEDRO C=CCOC(=O)[C@@H](N)CC(=O)N1CCC[C@@H]1C ZINC000884132095 591858550 /nfs/dbraw/zinc/85/85/50/591858550.db2.gz GJAVNDIARFFQLY-UWVGGRQHSA-N 1 0 240.303 0.444 20 30 BCEDRO CCC(CC)(CO)CNC(=[NH2+])N1CCOCC1 ZINC000133967544 591872188 /nfs/dbraw/zinc/87/21/88/591872188.db2.gz XOEXSEAHRKTAQY-UHFFFAOYSA-N 1 0 243.351 0.432 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@H]1NC(=O)c1c[nH]cc1C1CC1 ZINC000884250723 591884141 /nfs/dbraw/zinc/88/41/41/591884141.db2.gz MGDKOJLGSPNWBN-BXKDBHETSA-N 1 0 244.298 0.733 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H]2CCC[C@@H]([NH3+])C2)[nH]1 ZINC000884267372 591888059 /nfs/dbraw/zinc/88/80/59/591888059.db2.gz DRCNLEPEMAKCSO-BDAKNGLRSA-N 1 0 232.287 0.886 20 30 BCEDRO C#CCN1CCN(C(=O)C2=C(C)OCCC2)CC1 ZINC000134170798 591897774 /nfs/dbraw/zinc/89/77/74/591897774.db2.gz DJGYTFOUZZJUFR-UHFFFAOYSA-N 1 0 248.326 0.848 20 30 BCEDRO CC1(C)[NH2+]CC[C@@H]1NC(=O)c1ccc(C#N)[nH]1 ZINC000884304414 591898756 /nfs/dbraw/zinc/89/87/56/591898756.db2.gz OICXUCKUZPBOJA-JTQLQIEISA-N 1 0 232.287 0.757 20 30 BCEDRO CN(C(=O)c1ccc(C#N)[nH]1)C1(C[NH3+])CCC1 ZINC000884300318 591899117 /nfs/dbraw/zinc/89/91/17/591899117.db2.gz VSGQVDAFXSGKFR-UHFFFAOYSA-N 1 0 232.287 0.840 20 30 BCEDRO CN(C(=O)c1ccc(C#N)[nH]1)[C@@H](C[NH3+])C1CC1 ZINC000884338804 591905515 /nfs/dbraw/zinc/90/55/15/591905515.db2.gz SMTPIZMAFDIMJX-NSHDSACASA-N 1 0 232.287 0.696 20 30 BCEDRO CN(C(=O)c1ccc(C#N)[nH]1)[C@H](C[NH3+])C1CC1 ZINC000884338803 591905812 /nfs/dbraw/zinc/90/58/12/591905812.db2.gz SMTPIZMAFDIMJX-LLVKDONJSA-N 1 0 232.287 0.696 20 30 BCEDRO CC1(C)[C@@H]([NH3+])C[C@@H]1NC(=O)C#CC1CC1 ZINC000884363733 591916717 /nfs/dbraw/zinc/91/67/17/591916717.db2.gz HXHZUKCXWBETLY-UWVGGRQHSA-N 1 0 206.289 0.642 20 30 BCEDRO C#CCNC(=S)NC[C@@H]1CCC[N@H+]1CC ZINC000884405198 591925810 /nfs/dbraw/zinc/92/58/10/591925810.db2.gz KCAXIVZSUJWXEX-JTQLQIEISA-N 1 0 225.361 0.568 20 30 BCEDRO N#C[C@H]1C[NH2+]CC12CC(C(=O)N[C@H]1C=CCC1)C2 ZINC000884401733 591926004 /nfs/dbraw/zinc/92/60/04/591926004.db2.gz ZPQDFNVQIXWLDP-ATJQQHLPSA-N 1 0 245.326 0.961 20 30 BCEDRO N#Cc1ccc(C(=O)N[C@H]2CC[NH2+]C23CCC3)[nH]1 ZINC000884431212 591932596 /nfs/dbraw/zinc/93/25/96/591932596.db2.gz NQFFNFMWHOFFQM-NSHDSACASA-N 1 0 244.298 0.901 20 30 BCEDRO N#Cc1ccc(C(=O)NC[C@H]2C[C@H]([NH3+])C2)[nH]1 ZINC000884469860 591944048 /nfs/dbraw/zinc/94/40/48/591944048.db2.gz YFJCMEODSIIMPG-ZKCHVHJHSA-N 1 0 218.260 0.353 20 30 BCEDRO C=CCCC(C)(C)CNC(=O)C(=O)NCC[NH3+] ZINC000884671944 592009387 /nfs/dbraw/zinc/00/93/87/592009387.db2.gz DGPDVFFOTODYHX-UHFFFAOYSA-N 1 0 241.335 0.170 20 30 BCEDRO Cc1ccnc(NCC[N@H+](C)CCO)c1C#N ZINC000884825184 592023950 /nfs/dbraw/zinc/02/39/50/592023950.db2.gz KDXQLXDHXIWINI-UHFFFAOYSA-N 1 0 234.303 0.598 20 30 BCEDRO N#CC1(C[C@H](O)C[N@@H+]2CCC[C@@H](O)C2)CCC1 ZINC000885943815 592111375 /nfs/dbraw/zinc/11/13/75/592111375.db2.gz DBCWEFHNLBPIET-NEPJUHHUSA-N 1 0 238.331 0.888 20 30 BCEDRO N#CC1(C[C@H](O)C[N@@H+](CCO)C2CC2)CCC1 ZINC000885954212 592115164 /nfs/dbraw/zinc/11/51/64/592115164.db2.gz QPPBFTAMNSIDEX-LBPRGKRZSA-N 1 0 238.331 0.888 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@H+]2CC[C@@H](CO)C2)CCC1 ZINC000886019178 592133244 /nfs/dbraw/zinc/13/32/44/592133244.db2.gz MZNCKLQSLAWIAM-VXGBXAGGSA-N 1 0 238.331 0.745 20 30 BCEDRO C#CC[NH+](CC#C)C[C@H]1C[C@@]12CCOC2 ZINC000886028794 592136063 /nfs/dbraw/zinc/13/60/63/592136063.db2.gz XHSXEMCDGRLCNB-CHWSQXEVSA-N 1 0 203.285 0.981 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2n[nH]cc2C)CC1 ZINC000886091808 592146229 /nfs/dbraw/zinc/14/62/29/592146229.db2.gz HKAJOOGRBMWAPY-UHFFFAOYSA-N 1 0 232.331 0.859 20 30 BCEDRO N#CC1(C[C@H](O)C[NH2+][C@@H](CO)C2CC2)CCC1 ZINC000886129551 592159902 /nfs/dbraw/zinc/15/99/02/592159902.db2.gz IFDPKFVFSPTCHK-RYUDHWBXSA-N 1 0 238.331 0.792 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cc(C)n(C)n2)C1 ZINC000886209248 592176537 /nfs/dbraw/zinc/17/65/37/592176537.db2.gz ITDJXXUMLPGRDU-ZDUSSCGKSA-N 1 0 246.358 0.916 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]Cc2ccnn2C)C1 ZINC000886212947 592177180 /nfs/dbraw/zinc/17/71/80/592177180.db2.gz IPGRHMRIXSWSSW-GFCCVEGCSA-N 1 0 232.331 0.607 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2c[nH]nc2C)C1 ZINC000886212836 592177299 /nfs/dbraw/zinc/17/72/99/592177299.db2.gz GQYLLTMRTDSRRS-ZDUSSCGKSA-N 1 0 232.331 0.905 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cn(C)nc2C)C1 ZINC000886211610 592177610 /nfs/dbraw/zinc/17/76/10/592177610.db2.gz TVULWOZEPMAIFR-AWEZNQCLSA-N 1 0 246.358 0.916 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]Cc2cc[nH]n2)C1 ZINC000886213219 592178389 /nfs/dbraw/zinc/17/83/89/592178389.db2.gz NZGJVRWQFDYVRF-LBPRGKRZSA-N 1 0 218.304 0.597 20 30 BCEDRO CC(C)(CCC#N)C[NH2+][C@H]1C[C@@H](O)[C@@H](O)C1 ZINC000886255673 592188601 /nfs/dbraw/zinc/18/86/01/592188601.db2.gz FKGYMYHFVZRMLT-JGPRNRPPSA-N 1 0 226.320 0.790 20 30 BCEDRO N#CC[C@]1(O)CC[N@H+](C[C@@H]2C[C@@]23CCOC3)C1 ZINC000886265600 592189960 /nfs/dbraw/zinc/18/99/60/592189960.db2.gz MENBQOVUVTXHQH-XQQFMLRXSA-N 1 0 236.315 0.763 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CC(=O)NC(C)C)C1 ZINC000886353101 592215067 /nfs/dbraw/zinc/21/50/67/592215067.db2.gz BNTVZBRNMOWIOK-LLVKDONJSA-N 1 0 208.305 0.856 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](C[C@H](O)COCC)C1 ZINC000886358663 592215320 /nfs/dbraw/zinc/21/53/20/592215320.db2.gz ZEEPGDUEUAVIAS-NEPJUHHUSA-N 1 0 211.305 0.729 20 30 BCEDRO C#CC[C@H]1CC[N@@H+](CC(=O)NCC2CC2)C1 ZINC000886355911 592215999 /nfs/dbraw/zinc/21/59/99/592215999.db2.gz PRNNYIDAGSIGBD-LBPRGKRZSA-N 1 0 220.316 0.858 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCS(=O)(=O)CC)C1 ZINC000886358459 592217039 /nfs/dbraw/zinc/21/70/39/592217039.db2.gz VFDRKUKPBBWSIV-LLVKDONJSA-N 1 0 229.345 0.766 20 30 BCEDRO C#CC[C@@H]1CC[N@H+](CCc2c[nH]nn2)C1 ZINC000886366019 592218222 /nfs/dbraw/zinc/21/82/22/592218222.db2.gz VIKYYUMLGGEZEB-SNVBAGLBSA-N 1 0 204.277 0.692 20 30 BCEDRO C#CC[C@@H]1CC[N@@H+](CCN2CCNC2=O)C1 ZINC000886365287 592219584 /nfs/dbraw/zinc/21/95/84/592219584.db2.gz FKPRFWMDSJGLIY-LLVKDONJSA-N 1 0 221.304 0.357 20 30 BCEDRO C#CCNC(=O)[C@@H](C)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886555577 592258675 /nfs/dbraw/zinc/25/86/75/592258675.db2.gz WJKPZPLHPHAYEG-MXWKQRLJSA-N 1 0 238.356 0.419 20 30 BCEDRO C=CCNC(=O)[C@H](C)[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886556820 592260037 /nfs/dbraw/zinc/26/00/37/592260037.db2.gz KQKGWDBQEGCUGX-GARJFASQSA-N 1 0 240.372 0.972 20 30 BCEDRO C=CCNC(=O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886557067 592260175 /nfs/dbraw/zinc/26/01/75/592260175.db2.gz QSTMUKYRSXDMCZ-AOOOYVTPSA-N 1 0 226.345 0.583 20 30 BCEDRO N#CCCNC(=O)C[N@@H+]1C[C@@H]2CSC[C@@H]2C1 ZINC000886556592 592260278 /nfs/dbraw/zinc/26/02/78/592260278.db2.gz FYYZDGBUZOBLCN-AOOOYVTPSA-N 1 0 239.344 0.311 20 30 BCEDRO C#CCN(C(=O)[C@@H](C)OC)C1CC[NH+](C)CC1 ZINC000886582355 592268408 /nfs/dbraw/zinc/26/84/08/592268408.db2.gz RFKQHDHTYCSEOV-LLVKDONJSA-N 1 0 238.331 0.577 20 30 BCEDRO C#CCN(C(=O)[C@@H](C)C#N)C1CC[NH+](C)CC1 ZINC000886581354 592268823 /nfs/dbraw/zinc/26/88/23/592268823.db2.gz UQJQLHJKRWAZID-NSHDSACASA-N 1 0 233.315 0.702 20 30 BCEDRO C#CCN(C(=O)[C@H](C)C#N)C1CC[NH+](C)CC1 ZINC000886581353 592268991 /nfs/dbraw/zinc/26/89/91/592268991.db2.gz UQJQLHJKRWAZID-LLVKDONJSA-N 1 0 233.315 0.702 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@H]1CC[C@H](C(=O)OC)C1 ZINC000886580217 592269075 /nfs/dbraw/zinc/26/90/75/592269075.db2.gz ADKVCCYPFWGJCQ-UWVGGRQHSA-N 1 0 240.303 0.220 20 30 BCEDRO C#CCN(C(=O)c1cn[nH]c1)C1CC[NH+](C)CC1 ZINC000886583531 592269380 /nfs/dbraw/zinc/26/93/80/592269380.db2.gz UBSFHQNMAJEKGF-UHFFFAOYSA-N 1 0 246.314 0.579 20 30 BCEDRO C#CCN1CCC[C@@H]([NH2+]C2CCC(O)CC2)C1 ZINC000886662567 592294651 /nfs/dbraw/zinc/29/46/51/592294651.db2.gz GZSIAENOPVMBFB-ROKHWSDSSA-N 1 0 236.359 0.977 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C2CCN(C=O)CC2)C1 ZINC000886662758 592295035 /nfs/dbraw/zinc/29/50/35/592295035.db2.gz LOQXYJUFKGTDPK-AWEZNQCLSA-N 1 0 249.358 0.294 20 30 BCEDRO C=C(CC)C[NH+]1CCC(O)(COCCO)CC1 ZINC000886749045 592316836 /nfs/dbraw/zinc/31/68/36/592316836.db2.gz HWTIMDYSDFSMHD-UHFFFAOYSA-N 1 0 243.347 0.788 20 30 BCEDRO C=CCC1(O)CC[NH+](CCCNC(C)=O)CC1 ZINC000886764397 592318123 /nfs/dbraw/zinc/31/81/23/592318123.db2.gz RUTPPYVJTUVGTL-UHFFFAOYSA-N 1 0 240.347 0.916 20 30 BCEDRO C=CCN1CC[C@@H](N(CC)[C@@H]2CC[NH2+]C2)C1=O ZINC000886848925 592365412 /nfs/dbraw/zinc/36/54/12/592365412.db2.gz UITYTLHHXDUDSX-VXGBXAGGSA-N 1 0 237.347 0.457 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@H](COC)[C@@H]1CCCOC1 ZINC000886913546 592395483 /nfs/dbraw/zinc/39/54/83/592395483.db2.gz DVCACMSWYOLDEQ-FRRDWIJNSA-N 1 0 243.347 0.955 20 30 BCEDRO C=C(C)CC[NH2+]C1(C(=O)NC)CCOCC1 ZINC000887089694 592439158 /nfs/dbraw/zinc/43/91/58/592439158.db2.gz OTVOFJYBIIYXKK-UHFFFAOYSA-N 1 0 226.320 0.837 20 30 BCEDRO C#CCNC(=O)N1CC[NH2+]CCC12CCC2 ZINC000887278549 592475115 /nfs/dbraw/zinc/47/51/15/592475115.db2.gz GUCBNBKMXMWKJF-UHFFFAOYSA-N 1 0 221.304 0.547 20 30 BCEDRO CNC(NC[C@@H]1CC2(CCC2)CO1)=[NH+]C ZINC000887324333 592481137 /nfs/dbraw/zinc/48/11/37/592481137.db2.gz ZSDCUXLWLUNLGC-VIFPVBQESA-N 1 0 211.309 0.740 20 30 BCEDRO C=CC[C@@H](CO)CNC(=[NH2+])NCC1CC1 ZINC000887356485 592488227 /nfs/dbraw/zinc/48/82/27/592488227.db2.gz FDJXTLISZQEJEN-SNVBAGLBSA-N 1 0 211.309 0.695 20 30 BCEDRO CC(C)[N@H+](C)CC(=O)N1CCO[C@@](C)(C#N)C1 ZINC000887673319 592539630 /nfs/dbraw/zinc/53/96/30/592539630.db2.gz SSYCGBUPMXYBHO-LBPRGKRZSA-N 1 0 239.319 0.468 20 30 BCEDRO C[C@@H](C(=O)N1CCO[C@](C)(C#N)C1)[NH+](C)C ZINC000887678492 592540505 /nfs/dbraw/zinc/54/05/05/592540505.db2.gz CVWHDGCXUVAJDU-GXSJLCMTSA-N 1 0 225.292 0.078 20 30 BCEDRO C[C@H](C#N)OCC[NH+]1CCC(CC(N)=O)CC1 ZINC000302378428 592547862 /nfs/dbraw/zinc/54/78/62/592547862.db2.gz LPLBPFHYBKNZRT-SNVBAGLBSA-N 1 0 239.319 0.502 20 30 BCEDRO CC[C@@H](C#N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000887924441 592559266 /nfs/dbraw/zinc/55/92/66/592559266.db2.gz LHJZQDDBKCXQSF-GMXVVIOVSA-N 1 0 235.331 0.946 20 30 BCEDRO CCCCNC(=[NH2+])NCC(=O)Nc1cccnc1 ZINC000104183649 592604173 /nfs/dbraw/zinc/60/41/73/592604173.db2.gz RTPLAXHRMZPTEH-UHFFFAOYSA-N 1 0 249.318 0.725 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNC(=O)N(C)C[C@H](C)C#N ZINC000890073591 592677196 /nfs/dbraw/zinc/67/71/96/592677196.db2.gz QSQKCEHYSDFNOT-MNOVXSKESA-N 1 0 238.335 0.882 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)NCc1cn(C)cn1 ZINC000890107663 592683455 /nfs/dbraw/zinc/68/34/55/592683455.db2.gz OZGJEHSNDNYMLD-UHFFFAOYSA-N 1 0 222.292 0.154 20 30 BCEDRO C[C@H]1C[C@H](C)C[NH+](CC(=O)NCCC#N)C1 ZINC000198661922 634443003 /nfs/dbraw/zinc/44/30/03/634443003.db2.gz YUGTTYLWPKGLTP-QWRGUYRKSA-N 1 0 223.320 0.994 20 30 BCEDRO C#CC[N@@H+](C)[C@@H]1CCCN(C(=O)c2cc[nH]n2)C1 ZINC001027311872 634470547 /nfs/dbraw/zinc/47/05/47/634470547.db2.gz YTPWVXGUOQTJBL-LLVKDONJSA-N 1 0 246.314 0.579 20 30 BCEDRO C#CCOCC[N@@H+]1Cc2c[nH]nc2[C@H](C)C1 ZINC000931468248 634471355 /nfs/dbraw/zinc/47/13/55/634471355.db2.gz WPODIQJNFYOJMD-SNVBAGLBSA-N 1 0 219.288 0.979 20 30 BCEDRO COC1(OC)CC[N@H+](CCCC#N)C[C@H]1O ZINC000931632729 635146953 /nfs/dbraw/zinc/14/69/53/635146953.db2.gz XTVQAJWQUUKBOH-SNVBAGLBSA-N 1 0 228.292 0.346 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CC1(F)F ZINC001027875771 635185435 /nfs/dbraw/zinc/18/54/35/635185435.db2.gz XRNIZOXBQWQKBH-ZJUUUORDSA-N 1 0 242.269 0.855 20 30 BCEDRO CC#CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)C3CC3)[C@@H]2C1 ZINC000977702225 634558802 /nfs/dbraw/zinc/55/88/02/634558802.db2.gz LUIVHGORUJMBKD-XYYAHUGASA-N 1 0 232.327 0.714 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2[C@@H](CNC(=O)c3cocn3)[C@@H]2C1 ZINC000977910972 634566642 /nfs/dbraw/zinc/56/66/42/634566642.db2.gz SNPPPOCKVMBYPC-RTCCRHLQSA-N 1 0 247.298 0.768 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)c3cc[nH]c3)[C@@H]2C1 ZINC000978204259 634585345 /nfs/dbraw/zinc/58/53/45/634585345.db2.gz LHEYMKMNOLQMQH-XYYAHUGASA-N 1 0 243.310 0.556 20 30 BCEDRO C#CC[N@@H+]1C[C@@H]2[C@@H](CNC(=O)[C@@H]3C[C@H]3CC)[C@@H]2C1 ZINC000978737036 634612399 /nfs/dbraw/zinc/61/23/99/634612399.db2.gz ZDXLSKGEZUUDQV-KSTCHIGDSA-N 1 0 246.354 0.960 20 30 BCEDRO C#CCN1CCCN(C(=O)[C@H](F)CC)CC1 ZINC000981763439 635393418 /nfs/dbraw/zinc/39/34/18/635393418.db2.gz BNOWYXWLCMATBG-LLVKDONJSA-N 1 0 226.295 0.902 20 30 BCEDRO C#CC[N@H+]1C[C@@]2(C)CN(C(C)=O)C[C@@]2(C)C1 ZINC000982177166 635501691 /nfs/dbraw/zinc/50/16/91/635501691.db2.gz HAKCMUOVZRVIRF-BETUJISGSA-N 1 0 220.316 0.810 20 30 BCEDRO CCOC[C@@H]([NH2+]CC(=O)NCCC#N)C(C)C ZINC000233725375 635541424 /nfs/dbraw/zinc/54/14/24/635541424.db2.gz VJCRTPVHRPNCBK-LLVKDONJSA-N 1 0 241.335 0.667 20 30 BCEDRO C#CCNC(=O)C[NH2+]C1(CC#C)CCC1 ZINC000933303225 631217117 /nfs/dbraw/zinc/21/71/17/631217117.db2.gz UNTKEEBPVUJEPG-UHFFFAOYSA-N 1 0 204.273 0.271 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nccc(C)n2)C1 ZINC001022014995 631230674 /nfs/dbraw/zinc/23/06/74/631230674.db2.gz CATZPPCBNLAFIR-PHIMTYICSA-N 1 0 244.298 0.269 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cnnn2C)C1 ZINC001022029944 631262543 /nfs/dbraw/zinc/26/25/43/631262543.db2.gz IZTPRPXCOPNMDD-AOOOYVTPSA-N 1 0 249.318 0.242 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC000971518117 631288642 /nfs/dbraw/zinc/28/86/42/631288642.db2.gz POBLXQWILVSULK-NSHDSACASA-N 1 0 246.314 0.498 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001022041801 631289515 /nfs/dbraw/zinc/28/95/15/631289515.db2.gz UDPZOYKGEMKZGU-AOOOYVTPSA-N 1 0 249.318 0.242 20 30 BCEDRO CCNC(NCc1cncn1C)=[NH+]CC ZINC000290425616 631341443 /nfs/dbraw/zinc/34/14/43/631341443.db2.gz AOMIAVIMUSXWBE-UHFFFAOYSA-N 1 0 209.297 0.495 20 30 BCEDRO COC[C@H]1CC[N@H+](CCO[C@H](C)C#N)C1 ZINC000308779811 631385052 /nfs/dbraw/zinc/38/50/52/631385052.db2.gz CFHMFZQDECCTQV-MNOVXSKESA-N 1 0 212.293 0.883 20 30 BCEDRO C#CCNC(=O)N1CC[C@H]2[C@H]1CCC[N@H+]2C ZINC000891569267 631393075 /nfs/dbraw/zinc/39/30/75/631393075.db2.gz QTLXSMXUNGBTEQ-WDEREUQCSA-N 1 0 221.304 0.498 20 30 BCEDRO C#CCNC(=O)NCC[N@H+]1CCC[C@H]1C ZINC000891569839 631394869 /nfs/dbraw/zinc/39/48/69/631394869.db2.gz XTLRAYWSZDXDKW-SNVBAGLBSA-N 1 0 209.293 0.403 20 30 BCEDRO C#CCNC(=O)N1CC[C@@H]2[C@@H]1CCC[N@H+]2C ZINC000891569265 631395002 /nfs/dbraw/zinc/39/50/02/631395002.db2.gz QTLXSMXUNGBTEQ-MNOVXSKESA-N 1 0 221.304 0.498 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)Cc2cncs2)C1 ZINC001022240398 631428038 /nfs/dbraw/zinc/42/80/38/631428038.db2.gz YHIAWRRJSDZVHN-AOOOYVTPSA-N 1 0 249.339 0.556 20 30 BCEDRO C#CCSCC[NH2+][C@H]1CN(C)C[C@H]1C ZINC000308662846 631477884 /nfs/dbraw/zinc/47/78/84/631477884.db2.gz QXIRWSVJBJGESN-MNOVXSKESA-N 1 0 212.362 0.893 20 30 BCEDRO C#CCSCC[NH2+][C@H]1CN(C)C[C@@H]1C ZINC000308662851 631478465 /nfs/dbraw/zinc/47/84/65/631478465.db2.gz QXIRWSVJBJGESN-QWRGUYRKSA-N 1 0 212.362 0.893 20 30 BCEDRO NC(=[NH2+])N=NC1CCCC12CCOCC2 ZINC000308803048 631492325 /nfs/dbraw/zinc/49/23/25/631492325.db2.gz MYYXFQDOFZQCAT-UHFFFAOYSA-N 1 0 210.281 0.806 20 30 BCEDRO C=C(C)C[N@@H+](C)[C@@H]1CCN(C(=O)c2cn[nH]n2)C1 ZINC000971849149 631540318 /nfs/dbraw/zinc/54/03/18/631540318.db2.gz VIGJKEIBISHIED-SNVBAGLBSA-N 1 0 249.318 0.527 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)[C@@H]2C[C@@H](C)CO2)C1 ZINC001022455864 631569454 /nfs/dbraw/zinc/56/94/54/631569454.db2.gz AARYRKGAZHELPC-WYUUTHIRSA-N 1 0 238.331 0.834 20 30 BCEDRO N#CC1(C[C@H](O)C[N@H+]2CC[C@@H]2CO)CC1 ZINC000934014174 631594410 /nfs/dbraw/zinc/59/44/10/631594410.db2.gz ZKGPUCLLPNWRSE-ZJUUUORDSA-N 1 0 210.277 0.108 20 30 BCEDRO N#CC1(C[C@@H](O)C[N@H+]2CC[C@H]2CO)CCC1 ZINC000934014339 631597590 /nfs/dbraw/zinc/59/75/90/631597590.db2.gz IGSOQDZJHUWSAU-WDEREUQCSA-N 1 0 224.304 0.498 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[N@H+]2CC[C@@H]2CO)cc1 ZINC000934024756 631598875 /nfs/dbraw/zinc/59/88/75/631598875.db2.gz GKBCVDGKLDAYMB-OLZOCXBDSA-N 1 0 232.283 0.658 20 30 BCEDRO C=C(C)CN(CC)C(=O)[C@@H](C)N1CC[C@H]1CO ZINC000934026559 631604930 /nfs/dbraw/zinc/60/49/30/631604930.db2.gz GVTSXCTWGOGCEY-NEPJUHHUSA-N 1 0 240.347 0.866 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)C2CC2)C1 ZINC001028356776 635654663 /nfs/dbraw/zinc/65/46/63/635654663.db2.gz QVBWLKOZIAHZCX-SNVBAGLBSA-N 1 0 206.289 0.468 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cccnc2)C1 ZINC001028362747 635658265 /nfs/dbraw/zinc/65/82/65/635658265.db2.gz RYHKUACMHJFZAU-LBPRGKRZSA-N 1 0 243.310 0.767 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](CNC(=O)[C@H]2CCCO2)C1 ZINC001028386165 635666548 /nfs/dbraw/zinc/66/65/48/635666548.db2.gz LBYNLNFARQVKOO-NWDGAFQWSA-N 1 0 238.331 0.790 20 30 BCEDRO COC[C@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000308779813 631648592 /nfs/dbraw/zinc/64/85/92/631648592.db2.gz CFHMFZQDECCTQV-QWRGUYRKSA-N 1 0 212.293 0.883 20 30 BCEDRO CN(C)c1cc[nH+]c(CNC(=O)CC#N)c1 ZINC000927699644 635685099 /nfs/dbraw/zinc/68/50/99/635685099.db2.gz AZEXITSXFODLCS-UHFFFAOYSA-N 1 0 218.260 0.677 20 30 BCEDRO C[C@H](C#N)OCC[N@H+](CCO)C1CCC1 ZINC000308802602 631668060 /nfs/dbraw/zinc/66/80/60/631668060.db2.gz NKIHYKJQAACJFX-SNVBAGLBSA-N 1 0 212.293 0.762 20 30 BCEDRO C#C[C@H]([NH2+]C[C@@H]1CCOC1)[C@H]1CCCO1 ZINC000308824677 631670210 /nfs/dbraw/zinc/67/02/10/631670210.db2.gz HRNYCLRODWBCKQ-SDDRHHMPSA-N 1 0 209.289 0.793 20 30 BCEDRO C#C[C@@H]([NH2+]C1CCOCC1)[C@@H]1CCCO1 ZINC000308824166 631670990 /nfs/dbraw/zinc/67/09/90/631670990.db2.gz HMJASXBXRPSDFX-NEPJUHHUSA-N 1 0 209.289 0.936 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(C)(C)O)[C@H]1CCCO1 ZINC000308832647 631678698 /nfs/dbraw/zinc/67/86/98/631678698.db2.gz GTYMJDAAXOJMGJ-GHMZBOCLSA-N 1 0 211.305 0.918 20 30 BCEDRO CNC(=O)C1([NH2+]CCCC#N)CCCC1 ZINC000308846109 631690201 /nfs/dbraw/zinc/69/02/01/631690201.db2.gz AHAJAEQBVFLMSR-UHFFFAOYSA-N 1 0 209.293 0.939 20 30 BCEDRO CC(=NN1CCOCC1)c1csc(N)n1 ZINC000308848436 631696395 /nfs/dbraw/zinc/69/63/95/631696395.db2.gz QGYJOGJSKQBEIS-UHFFFAOYSA-N 1 0 226.305 0.782 20 30 BCEDRO C#C[C@H](C)[NH2+][C@@H](C)C1CCS(=O)(=O)CC1 ZINC000308896503 631721814 /nfs/dbraw/zinc/72/18/14/631721814.db2.gz ZOHBBJPSZPFBFY-UWVGGRQHSA-N 1 0 229.345 0.811 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)Cc1cccnc1 ZINC000934240290 631741813 /nfs/dbraw/zinc/74/18/13/631741813.db2.gz UPJCYOUIOZNKTM-RYUDHWBXSA-N 1 0 245.326 0.740 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)C[C@@H]2C[C@H]2C)C1 ZINC001022657864 631741936 /nfs/dbraw/zinc/74/19/36/631741936.db2.gz VKXZEYDUVRJWBZ-KXNHARMFSA-N 1 0 220.316 0.903 20 30 BCEDRO CC#CCN1CC[C@H]2[C@@H]1CCC[N@@H+]2CCO ZINC000934263089 631751848 /nfs/dbraw/zinc/75/18/48/631751848.db2.gz MXURYJHHCNXJPR-STQMWFEESA-N 1 0 222.332 0.541 20 30 BCEDRO C[C@@H](CCO)[NH2+]C1CCN(CC#N)CC1 ZINC000308972625 631769783 /nfs/dbraw/zinc/76/97/83/631769783.db2.gz FPBIVLMBDMHDDI-JTQLQIEISA-N 1 0 211.309 0.335 20 30 BCEDRO C#CCNC(=O)C[NH2+][C@H](C)C1CCCC1 ZINC000309010504 631796825 /nfs/dbraw/zinc/79/68/25/631796825.db2.gz RRXPFPTYZSACBZ-SNVBAGLBSA-N 1 0 208.305 0.904 20 30 BCEDRO C#CCCC[NH+]1CCC(S(C)(=O)=O)CC1 ZINC000309012351 631798720 /nfs/dbraw/zinc/79/87/20/631798720.db2.gz XSEVTKKZEJMQID-UHFFFAOYSA-N 1 0 229.345 0.909 20 30 BCEDRO C=C(C)[C@H](CO)[NH2+][C@@H]1CCOC12CCOCC2 ZINC000934401173 631825012 /nfs/dbraw/zinc/82/50/12/631825012.db2.gz BTVKNNZSWHYPBJ-NWDGAFQWSA-N 1 0 241.331 0.851 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1CCCS(N)(=O)=O ZINC000934460129 631852155 /nfs/dbraw/zinc/85/21/55/631852155.db2.gz NZAFJCFLXDZDFR-SECBINFHSA-N 1 0 218.322 0.315 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)[C@H]2CC[C@@H](C)O2)C1 ZINC001022742101 631868920 /nfs/dbraw/zinc/86/89/20/631868920.db2.gz SRYBFVWPOKFTGA-WISYIIOYSA-N 1 0 236.315 0.424 20 30 BCEDRO C#C[C@H]([NH2+]CC1(C)COC1)[C@H]1CCCO1 ZINC000309117065 631888907 /nfs/dbraw/zinc/88/89/07/631888907.db2.gz LZFXCXRKIOLYJV-WDEREUQCSA-N 1 0 209.289 0.793 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1CCN1CCOC1=O ZINC000934511074 631892764 /nfs/dbraw/zinc/89/27/64/631892764.db2.gz ITLKCCIKXOTODB-NSHDSACASA-N 1 0 222.288 0.926 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1CCN1C(=O)N[C@H](C)C1=O ZINC000934514718 631895111 /nfs/dbraw/zinc/89/51/11/631895111.db2.gz ANGCCQABCJJYKS-MNOVXSKESA-N 1 0 249.314 0.414 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001022832647 631978522 /nfs/dbraw/zinc/97/85/22/631978522.db2.gz GBIZPSVVBJDKQX-AOOOYVTPSA-N 1 0 232.287 0.202 20 30 BCEDRO C#CCOCCNc1cc(C)[nH+]c(N)n1 ZINC000308863675 631984585 /nfs/dbraw/zinc/98/45/85/631984585.db2.gz WAIIEUDUSYBHOM-UHFFFAOYSA-N 1 0 206.249 0.429 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H](NC(=O)c2ccnn2C)C1 ZINC001006876163 632016936 /nfs/dbraw/zinc/01/69/36/632016936.db2.gz SOSHTULBHRLFEM-LLVKDONJSA-N 1 0 248.330 0.800 20 30 BCEDRO C=CC[N@@H+](C)[C@H]1CCN(C(=O)c2ccnnc2)C1 ZINC000972414869 632025354 /nfs/dbraw/zinc/02/53/54/632025354.db2.gz FRPGLKXPAFLSPO-LBPRGKRZSA-N 1 0 246.314 0.809 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001022953463 632077402 /nfs/dbraw/zinc/07/74/02/632077402.db2.gz QJWURQSSMLYWEH-AOOOYVTPSA-N 1 0 249.318 0.160 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cn(C)cn2)C1 ZINC001028483729 635693796 /nfs/dbraw/zinc/69/37/96/635693796.db2.gz XVRALXFRXMXPDY-NSHDSACASA-N 1 0 246.314 0.105 20 30 BCEDRO C[NH+](C)C[C@H](O)CNc1cccc(C#N)n1 ZINC000309460545 632099856 /nfs/dbraw/zinc/09/98/56/632099856.db2.gz NSVZLJIIFAEOCU-SNVBAGLBSA-N 1 0 220.276 0.288 20 30 BCEDRO C[C@@H]1C[N@@H+](C2CC2)C[C@H]1NC(=O)NCCC#N ZINC000426416855 635712144 /nfs/dbraw/zinc/71/21/44/635712144.db2.gz MMTFKDOJCJFUFW-MWLCHTKSSA-N 1 0 236.319 0.682 20 30 BCEDRO C=C(Br)CNC(=O)[C@@H]([NH3+])CC ZINC000155897412 632116909 /nfs/dbraw/zinc/11/69/09/632116909.db2.gz RUZMXTKRILLIRZ-LURJTMIESA-N 1 0 221.098 0.749 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)[C@]23C[C@H]2COC3)C1 ZINC001028553280 635726043 /nfs/dbraw/zinc/72/60/43/635726043.db2.gz GRLFWYJKDWRHBL-DYEKYZERSA-N 1 0 248.326 0.094 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2ccsn2)C1 ZINC001028621524 635758996 /nfs/dbraw/zinc/75/89/96/635758996.db2.gz PGJULCDEIOEXNG-JTQLQIEISA-N 1 0 249.339 0.828 20 30 BCEDRO C#CCNC(=O)C[NH+]1CCC(C)(OCC)CC1 ZINC000310378669 635777742 /nfs/dbraw/zinc/77/77/42/635777742.db2.gz GMOIELCQDWLDDX-UHFFFAOYSA-N 1 0 238.331 0.627 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cnco2)C1 ZINC001028716881 635806800 /nfs/dbraw/zinc/80/68/00/635806800.db2.gz JEHJRKMXLZLZLY-JTQLQIEISA-N 1 0 233.271 0.360 20 30 BCEDRO CCC(CC)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000309499259 632416604 /nfs/dbraw/zinc/41/66/04/632416604.db2.gz LAVBWPCDLWFFBR-VHSXEESVSA-N 1 0 209.293 0.650 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](CNC(=O)c2cocn2)C1 ZINC001023261815 632429048 /nfs/dbraw/zinc/42/90/48/632429048.db2.gz KWUSHWRKYSWCNO-NSHDSACASA-N 1 0 247.298 0.750 20 30 BCEDRO CC(C)[C@H](C)C(=O)N[C@@H]1C[NH2+]C[C@@H]1C#N ZINC000309509471 632432492 /nfs/dbraw/zinc/43/24/92/632432492.db2.gz ORDAMHSHAZMWON-LPEHRKFASA-N 1 0 209.293 0.506 20 30 BCEDRO C=C[C@H](CO)[NH2+]C1CCC2(CC1)OCCO2 ZINC000309518140 632435171 /nfs/dbraw/zinc/43/51/71/632435171.db2.gz SIFZIQCQOYKOLF-SNVBAGLBSA-N 1 0 227.304 0.809 20 30 BCEDRO COC[C@H](CO)[NH2+]CC#Cc1ccccc1 ZINC000229190972 632524941 /nfs/dbraw/zinc/52/49/41/632524941.db2.gz JXXISLICWLNEFK-ZDUSSCGKSA-N 1 0 219.284 0.635 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](CNC(=O)c2nnc[nH]2)C1 ZINC001023657078 632554861 /nfs/dbraw/zinc/55/48/61/632554861.db2.gz LGLJIPGBKSXBPJ-JTQLQIEISA-N 1 0 249.318 0.433 20 30 BCEDRO C[N@@H+]1CCC[C@H]1C(=O)N1CCC[C@H](C#N)C1 ZINC000260114909 632603119 /nfs/dbraw/zinc/60/31/19/632603119.db2.gz RELMONZZIOFXGU-MNOVXSKESA-N 1 0 221.304 0.843 20 30 BCEDRO CC[NH2+]C[C@H]1CCCN(C(=O)[C@@H](C)C#N)C1 ZINC001023895384 632630476 /nfs/dbraw/zinc/63/04/76/632630476.db2.gz NSPQRKPPBCABDT-WDEREUQCSA-N 1 0 223.320 0.994 20 30 BCEDRO C[C@H](C#N)OCC[NH2+][C@@H](C)c1cn[nH]c1 ZINC000309106778 632639749 /nfs/dbraw/zinc/63/97/49/632639749.db2.gz IGCNBNVJTOTKJP-BDAKNGLRSA-N 1 0 208.265 0.989 20 30 BCEDRO COC(=O)[C@H]1CCCN1CCO[C@@H](C)C#N ZINC000309133948 632645078 /nfs/dbraw/zinc/64/50/78/632645078.db2.gz JRNCYBFMEIYSGG-VHSXEESVSA-N 1 0 226.276 0.552 20 30 BCEDRO CC[C@@H](CO)[NH2+][C@@H](C)C(=O)N(C)CCC#N ZINC000310037520 632696191 /nfs/dbraw/zinc/69/61/91/632696191.db2.gz VFFRYCJNICNBON-UWVGGRQHSA-N 1 0 227.308 0.107 20 30 BCEDRO C[C@@H]1OCC[C@@]1(C)[NH2+]CC(=O)NCCC#N ZINC000235437161 632735474 /nfs/dbraw/zinc/73/54/74/632735474.db2.gz VGAHEVKBKYMTJY-GXSJLCMTSA-N 1 0 225.292 0.173 20 30 BCEDRO C[C@H](C#N)OCCN1CC[C@@]2(CC[N@H+](C)C2)C1 ZINC000310470332 632745655 /nfs/dbraw/zinc/74/56/55/632745655.db2.gz BFESOJXLANHNJE-CHWSQXEVSA-N 1 0 237.347 0.943 20 30 BCEDRO CCNC(NCC(C)(C)C(N)=O)=[NH+]CC ZINC000161517148 632809034 /nfs/dbraw/zinc/80/90/34/632809034.db2.gz ZTDUACUWCBCNCN-UHFFFAOYSA-N 1 0 214.313 0.073 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](CC)COC ZINC000309219387 632821475 /nfs/dbraw/zinc/82/14/75/632821475.db2.gz UZRQQHXUCOGECI-JTQLQIEISA-N 1 0 235.349 0.602 20 30 BCEDRO C=CC[N@@H+]1CCCC[C@H]1CNC(=O)c1nnc[nH]1 ZINC001024715884 632839902 /nfs/dbraw/zinc/83/99/02/632839902.db2.gz LLJSLGUTXDXTFV-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C#CCSCC[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000309263418 632859972 /nfs/dbraw/zinc/85/99/72/632859972.db2.gz QQFVGARJGLEACP-MNOVXSKESA-N 1 0 240.372 1.000 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](CNC(=O)c2cccnn2)C1 ZINC001028889291 635844023 /nfs/dbraw/zinc/84/40/23/635844023.db2.gz SUENAXWZSLPODQ-LLVKDONJSA-N 1 0 246.314 0.714 20 30 BCEDRO C#C[C@@H](CCC)NC(=O)NC[C@H]1C[C@H]([NH3+])C1 ZINC000892566507 632977760 /nfs/dbraw/zinc/97/77/60/632977760.db2.gz JHUYMQNWLFRSEQ-DCAQKATOSA-N 1 0 223.320 0.825 20 30 BCEDRO C[C@@H]1C[N@H+](C)CC[C@@H]1N(C)C(=O)NCCC#N ZINC000335250322 635870439 /nfs/dbraw/zinc/87/04/39/635870439.db2.gz VXKJYEPKXJEOGY-MNOVXSKESA-N 1 0 238.335 0.882 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](CNC(=O)c2[nH]cnc2C)C1 ZINC001029022412 635871735 /nfs/dbraw/zinc/87/17/35/635871735.db2.gz FYONYKWYEFIHMM-NSHDSACASA-N 1 0 248.330 0.956 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@H](C)COC(C)C ZINC000309416024 633039246 /nfs/dbraw/zinc/03/92/46/633039246.db2.gz JGAMQHAMJKKLFH-LLVKDONJSA-N 1 0 249.376 0.990 20 30 BCEDRO CCOc1ccc(C=NNC2=[NH+]CCN2)cc1 ZINC000256004374 633091289 /nfs/dbraw/zinc/09/12/89/633091289.db2.gz UJOLXORTGYLPKT-UHFFFAOYSA-N 1 0 232.287 0.968 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]([C@H](C)NC(C)=O)C1 ZINC001025302048 633097136 /nfs/dbraw/zinc/09/71/36/633097136.db2.gz RFZCMUSQYOPYAX-JQWIXIFHSA-N 1 0 208.305 0.856 20 30 BCEDRO CNC(=O)C[NH+]=C(NCc1ccccc1)N(C)C ZINC000170907144 633176922 /nfs/dbraw/zinc/17/69/22/633176922.db2.gz MNYVMSGUNWPWNQ-UHFFFAOYSA-N 1 0 248.330 0.440 20 30 BCEDRO CCCNC(=[NH2+])NCc1cccnc1N(C)C ZINC000170912967 633177247 /nfs/dbraw/zinc/17/72/47/633177247.db2.gz CZHABTPLBLGELE-UHFFFAOYSA-N 1 0 235.335 0.962 20 30 BCEDRO C#CCOCCN(C)[C@@H]1CC[N@@H+](C2CC2)C1 ZINC000851770134 633181753 /nfs/dbraw/zinc/18/17/53/633181753.db2.gz ZAKIYIJBWUQWOE-CYBMUJFWSA-N 1 0 222.332 0.805 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[NH2+][C@@H](CCO)C1CC1 ZINC000309536343 633191104 /nfs/dbraw/zinc/19/11/04/633191104.db2.gz FEAIFMKZIAWSRH-KOLCDFICSA-N 1 0 226.320 0.428 20 30 BCEDRO C#CC[N@H+](C)CCCNc1cc(F)ncn1 ZINC000328068233 633227860 /nfs/dbraw/zinc/22/78/60/633227860.db2.gz DCKHBIWQJKAARI-UHFFFAOYSA-N 1 0 222.267 0.983 20 30 BCEDRO CNC(=[NH2+])NCc1ccc(C#N)cc1F ZINC000304023273 635934108 /nfs/dbraw/zinc/93/41/08/635934108.db2.gz YPYHSVRCFMSQLE-UHFFFAOYSA-N 1 0 206.224 0.731 20 30 BCEDRO CCOCCCNC(=[NH2+])NCc1ccnn1C ZINC000303892637 635934269 /nfs/dbraw/zinc/93/42/69/635934269.db2.gz NTWYUYFZSNMTPT-UHFFFAOYSA-N 1 0 239.323 0.251 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)c2ccnc(C#N)c2)CC[N@@H+]1C ZINC000928439027 635934724 /nfs/dbraw/zinc/93/47/24/635934724.db2.gz VYPQGIVMMWDGAQ-SKDRFNHKSA-N 1 0 244.298 0.776 20 30 BCEDRO COCCNC(=[NH2+])NCC1(CCOC)CC1 ZINC000305102562 635949167 /nfs/dbraw/zinc/94/91/67/635949167.db2.gz ALFJVPQHZSDJAY-UHFFFAOYSA-N 1 0 229.324 0.354 20 30 BCEDRO C[C@@H]1C[C@H]([NH2+][C@@H]2CCCN(O)C2=O)[C@@H](C)O1 ZINC000895157737 636099461 /nfs/dbraw/zinc/09/94/61/636099461.db2.gz FFNCSDBDHOGCEM-KYXWUPHJSA-N 1 0 228.292 0.522 20 30 BCEDRO CC1(C)C[C@@H]([NH2+][C@H]2CCCN(O)C2=O)CCO1 ZINC000895157865 636099903 /nfs/dbraw/zinc/09/99/03/636099903.db2.gz TUSQNDUNZQCTAW-UWVGGRQHSA-N 1 0 242.319 0.914 20 30 BCEDRO CO[C@](C)(C[NH2+][C@@H]1CCCN(O)C1=O)C1CC1 ZINC000895157425 636100176 /nfs/dbraw/zinc/10/01/76/636100176.db2.gz CHWBKGIJZYLFCU-ZYHUDNBSSA-N 1 0 242.319 0.771 20 30 BCEDRO CC1(C)COC[C@H]1[NH2+][C@H]1CCCN(O)C1=O ZINC000895157957 636101148 /nfs/dbraw/zinc/10/11/48/636101148.db2.gz GNDZLCXQWZZXHO-DTWKUNHWSA-N 1 0 228.292 0.381 20 30 BCEDRO CC1(C)COC[C@@H]1[NH2+][C@@H]1CCCN(O)C1=O ZINC000895157956 636101557 /nfs/dbraw/zinc/10/15/57/636101557.db2.gz GNDZLCXQWZZXHO-BDAKNGLRSA-N 1 0 228.292 0.381 20 30 BCEDRO C#CC[N@@H+](C)CCCNC(=O)OCCOC ZINC000328180712 633737672 /nfs/dbraw/zinc/73/76/72/633737672.db2.gz NEDOXLOCWQCDQJ-UHFFFAOYSA-N 1 0 228.292 0.314 20 30 BCEDRO C=CCOCCN[C@H]1[C@@H]2[NH2+]C[C@@H]3C[C@H]1C[C@@H]32 ZINC000328573972 633778676 /nfs/dbraw/zinc/77/86/76/633778676.db2.gz WKXFXUPGYNICDM-JZRPKSSGSA-N 1 0 222.332 0.775 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)C2=CCOCC2)C1 ZINC001020096456 633808286 /nfs/dbraw/zinc/80/82/86/633808286.db2.gz ZXTIJCFCNZBCQJ-HAQNSBGRSA-N 1 0 236.315 0.756 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1C[C@@H](C)CO1 ZINC001025906414 633817747 /nfs/dbraw/zinc/81/77/47/633817747.db2.gz NGOUGVGQAKGQTI-BNDIWNMDSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCO[C@H]1C ZINC001026123084 633851346 /nfs/dbraw/zinc/85/13/46/633851346.db2.gz BXQSHNRGEVVLRW-JZRPKSSGSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[NH2+][C@@H]1CC[C@H]2CN(C(C)=O)C[C@@H]21 ZINC001026155561 633858367 /nfs/dbraw/zinc/85/83/67/633858367.db2.gz GYJWJSBLWDVKLY-SDDRHHMPSA-N 1 0 206.289 0.466 20 30 BCEDRO CC[C@@]1([NH2+]CC(=O)NCCC#N)CCOC1 ZINC000309861243 633873156 /nfs/dbraw/zinc/87/31/56/633873156.db2.gz MREJSMOLVJQXGX-LLVKDONJSA-N 1 0 225.292 0.175 20 30 BCEDRO CN1CCN([NH+]=Cc2ccc(N)nc2)CC1 ZINC000309310300 633893790 /nfs/dbraw/zinc/89/37/90/633893790.db2.gz WUJJPGOXATWAHW-UHFFFAOYSA-N 1 0 219.292 0.245 20 30 BCEDRO CCOCCCNC(=[NH2+])NCC1(CO)CCC1 ZINC000181502036 633918922 /nfs/dbraw/zinc/91/89/22/633918922.db2.gz WTKITDHTXZWYEF-UHFFFAOYSA-N 1 0 243.351 0.480 20 30 BCEDRO C[C@H](C(=O)N[C@H]1C[NH2+]C[C@H]1C#N)C1CC1 ZINC000309500409 633937793 /nfs/dbraw/zinc/93/77/93/633937793.db2.gz LKSDYDPGVIVLKV-SFGNSQDASA-N 1 0 207.277 0.260 20 30 BCEDRO CNC(=O)[C@@H]([NH2+]CCO[C@@H](C)C#N)C(C)C ZINC000309640018 633980331 /nfs/dbraw/zinc/98/03/31/633980331.db2.gz KNPKIXCEFFEZHE-UWVGGRQHSA-N 1 0 227.308 0.275 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@](C)(OC)C1CC1 ZINC000895489369 636149572 /nfs/dbraw/zinc/14/95/72/636149572.db2.gz BHEUGARTOHMKBC-RYUDHWBXSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@](C)(OC)C1CC1 ZINC000895489366 636150517 /nfs/dbraw/zinc/15/05/17/636150517.db2.gz BHEUGARTOHMKBC-NEPJUHHUSA-N 1 0 211.305 0.775 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@H](C)Cc1cnccn1 ZINC000895490498 636151033 /nfs/dbraw/zinc/15/10/33/636151033.db2.gz QFUHBPZZBQCGPC-MNOVXSKESA-N 1 0 219.288 0.381 20 30 BCEDRO C#CC[C@H](CO)[NH2+][C@H](C)Cc1cnccn1 ZINC000895490496 636151438 /nfs/dbraw/zinc/15/14/38/636151438.db2.gz QFUHBPZZBQCGPC-GHMZBOCLSA-N 1 0 219.288 0.381 20 30 BCEDRO C#CC[C@@H](CO)[NH2+][C@H](C)C1CCOCC1 ZINC000895489515 636151697 /nfs/dbraw/zinc/15/16/97/636151697.db2.gz DSSVYWODPVGXBY-PWSUYJOCSA-N 1 0 211.305 0.775 20 30 BCEDRO C=C(C)CONC(=O)N1C[C@@H]2C[N@H+](C)C[C@@H]2C1 ZINC000895579493 636161891 /nfs/dbraw/zinc/16/18/91/636161891.db2.gz WWSOQEOCRVVYOP-PHIMTYICSA-N 1 0 239.319 0.697 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)[C@@H](CO)Cc1ccccc1 ZINC000930921400 634182172 /nfs/dbraw/zinc/18/21/72/634182172.db2.gz HVXPZBBKGSKNRI-ZIAGYGMSSA-N 1 0 248.326 0.796 20 30 BCEDRO C=CC[N@H+](C[C@@H](O)C1(O)CCC1)[C@@H](C)COC ZINC000930931778 634182931 /nfs/dbraw/zinc/18/29/31/634182931.db2.gz ATCCTTBPWLYTOW-NWDGAFQWSA-N 1 0 243.347 0.785 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@H]2C[C@H]2C1 ZINC000856060492 634230195 /nfs/dbraw/zinc/23/01/95/634230195.db2.gz BAZRTRBMAHVZMC-QWRGUYRKSA-N 1 0 208.305 0.973 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CC[C@@H]2C[C@@H]2C1 ZINC000856060485 634230603 /nfs/dbraw/zinc/23/06/03/634230603.db2.gz BAZRTRBMAHVZMC-GHMZBOCLSA-N 1 0 208.305 0.973 20 30 BCEDRO CCOCCCNC(=[NH2+])NCCCCCO ZINC000193020587 634263144 /nfs/dbraw/zinc/26/31/44/634263144.db2.gz MHPIRTMBCXQLSB-UHFFFAOYSA-N 1 0 231.340 0.480 20 30 BCEDRO C=CCN1CC[C@H](N2C[C@H]3[C@@H](C2)[C@@H]3[NH+](C)C)C1=O ZINC000931276616 634302767 /nfs/dbraw/zinc/30/27/67/634302767.db2.gz ABHXOKCZZDXYCI-QNWHQSFQSA-N 1 0 249.358 0.265 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001027735955 635131006 /nfs/dbraw/zinc/13/10/06/635131006.db2.gz BOGWTULXTSWSRM-NEPJUHHUSA-N 1 0 236.315 0.379 20 30 BCEDRO Cc1cc(C=NNC2=[NH+]CCN2)cc(Cl)n1 ZINC000841659723 635149835 /nfs/dbraw/zinc/14/98/35/635149835.db2.gz BWJMVHDMSVKQFH-UHFFFAOYSA-N 1 0 237.694 0.926 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H]1CNC(=O)c1ccnn1C ZINC001027781635 635150004 /nfs/dbraw/zinc/15/00/04/635150004.db2.gz BLYPHKWFDHZMEI-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@@H](C)COC(C)=O ZINC000893566577 635163826 /nfs/dbraw/zinc/16/38/26/635163826.db2.gz FTBAYMGLXDHRAD-WCBMZHEXSA-N 1 0 201.266 0.465 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NC[C@@]1(O)CCSC1 ZINC000083053515 635165980 /nfs/dbraw/zinc/16/59/80/635165980.db2.gz WLGBENQKSINXFN-JTQLQIEISA-N 1 0 231.365 0.557 20 30 BCEDRO CC(=NNC1=[NH+]CCN1)c1cc(C)ccc1O ZINC000841663482 635191303 /nfs/dbraw/zinc/19/13/03/635191303.db2.gz ZEWVFVDQVLKDST-UHFFFAOYSA-N 1 0 232.287 0.973 20 30 BCEDRO CC[NH+]1CCN(c2cc(C#N)nc(C)n2)CC1 ZINC000258992730 635230518 /nfs/dbraw/zinc/23/05/18/635230518.db2.gz PKFDCCPZLHSXSD-UHFFFAOYSA-N 1 0 231.303 0.799 20 30 BCEDRO C=C[C@H](CO)[NH2+][C@@H]1CCCc2n[nH]cc21 ZINC000336724456 635255853 /nfs/dbraw/zinc/25/58/53/635255853.db2.gz FVWUYGNNRPOUIS-PSASIEDQSA-N 1 0 207.277 0.924 20 30 BCEDRO C=CC[N@H+]1CCCN(C(=O)c2cnn(C)c2)CC1 ZINC000980685750 635257435 /nfs/dbraw/zinc/25/74/35/635257435.db2.gz BPCBDTZURIRAHG-UHFFFAOYSA-N 1 0 248.330 0.754 20 30 BCEDRO C#CCN1CCCN(C(=O)c2ccon2)CC1 ZINC000980746583 635267366 /nfs/dbraw/zinc/26/73/66/635267366.db2.gz PXFXVCUGZXYXCS-UHFFFAOYSA-N 1 0 233.271 0.456 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@H]1CNC(=O)c1cn[nH]n1 ZINC001027991324 635282021 /nfs/dbraw/zinc/28/20/21/635282021.db2.gz AAXVKKHVVJWMJO-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@@H]1CNC(=O)c1cn[nH]n1 ZINC001027991325 635283032 /nfs/dbraw/zinc/28/30/32/635283032.db2.gz AAXVKKHVVJWMJO-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO C#CC[NH2+][C@@H]1CCC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC000980934052 635303165 /nfs/dbraw/zinc/30/31/65/635303165.db2.gz XCKWLFFPORRQGF-MNOVXSKESA-N 1 0 246.314 0.674 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@H](NC(=O)c2cocn2)C1 ZINC000980948733 635304278 /nfs/dbraw/zinc/30/42/78/635304278.db2.gz HJBPOBRZOZSFBO-QWRGUYRKSA-N 1 0 247.298 0.938 20 30 BCEDRO C#CC[NH2+][C@H]1CCC[C@@H](NC(=O)c2ncc[nH]2)C1 ZINC000981078997 635315258 /nfs/dbraw/zinc/31/52/58/635315258.db2.gz FHTJQYUHYKVBOH-WDEREUQCSA-N 1 0 246.314 0.674 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)[C@@H]1C[C@H]1C ZINC001028076693 635352182 /nfs/dbraw/zinc/35/21/82/635352182.db2.gz VEUPGLIDHLOPEF-GRYCIOLGSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cc(C)n(C)n2)C1 ZINC001010342548 635382823 /nfs/dbraw/zinc/38/28/23/635382823.db2.gz WHLLCUBMOAXAIG-LLVKDONJSA-N 1 0 248.330 0.719 20 30 BCEDRO CC#CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001010362761 635424380 /nfs/dbraw/zinc/42/43/80/635424380.db2.gz WRHGHCSGYAKIRH-RYUDHWBXSA-N 1 0 236.315 0.237 20 30 BCEDRO C=CC[N@H+]1CCC[C@H]1CNC(=O)c1cnn(C)n1 ZINC001028198231 635466536 /nfs/dbraw/zinc/46/65/36/635466536.db2.gz BFKPVPFZQQGIHN-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C=CC[N@H+]1CCC[C@@H]1CNC(=O)c1cnn(C)n1 ZINC001028198232 635466750 /nfs/dbraw/zinc/46/67/50/635466750.db2.gz BFKPVPFZQQGIHN-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO CO[C@H]1C[C@@H](NC2=[NH+]CCN2C)C1(C)C ZINC000261532837 635496267 /nfs/dbraw/zinc/49/62/67/635496267.db2.gz KJARHIQEKGPJSP-BDAKNGLRSA-N 1 0 211.309 0.691 20 30 BCEDRO CO[C@@H]1C[C@@H](NC2=[NH+]CCN2C)C1(C)C ZINC000261532840 635496273 /nfs/dbraw/zinc/49/62/73/635496273.db2.gz KJARHIQEKGPJSP-RKDXNWHRSA-N 1 0 211.309 0.691 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cnccn2)C1 ZINC001028380476 635663885 /nfs/dbraw/zinc/66/38/85/635663885.db2.gz MFZCZKLPNNWTLJ-NSHDSACASA-N 1 0 244.298 0.162 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2cncnc2)C1 ZINC001028493621 635696520 /nfs/dbraw/zinc/69/65/20/635696520.db2.gz QMHTYGRKJZFIHK-NSHDSACASA-N 1 0 244.298 0.162 20 30 BCEDRO C#CC[N@H+]1CC[C@H](CNC(=O)c2cncnc2)C1 ZINC001028493620 635696769 /nfs/dbraw/zinc/69/67/69/635696769.db2.gz QMHTYGRKJZFIHK-LLVKDONJSA-N 1 0 244.298 0.162 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](CNC(=O)c2c[nH]nc2C)C1 ZINC001028726863 635808428 /nfs/dbraw/zinc/80/84/28/635808428.db2.gz MZXMSICMDTVHRC-NSHDSACASA-N 1 0 246.314 0.403 20 30 BCEDRO C=CCN1CC[C@@H](N2CC[C@]3(CCC[NH2+]3)C2)C1=O ZINC000334981603 635865857 /nfs/dbraw/zinc/86/58/57/635865857.db2.gz UCYBSIHUAZGRAA-TZMCWYRMSA-N 1 0 249.358 0.601 20 30 BCEDRO C[C@H]1[C@@H](NC(=O)c2cc(C#N)ccn2)CC[N@@H+]1C ZINC000928433378 635926058 /nfs/dbraw/zinc/92/60/58/635926058.db2.gz DMGKEAKPZNKPRA-ONGXEEELSA-N 1 0 244.298 0.776 20 30 BCEDRO CCNC(NCc1nc(C)no1)=[NH+]CC ZINC000303409959 636310181 /nfs/dbraw/zinc/31/01/81/636310181.db2.gz VSWSLIVHDUILJB-UHFFFAOYSA-N 1 0 211.269 0.453 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCc2cnn(C)c2)C1 ZINC000303891150 636314572 /nfs/dbraw/zinc/31/45/72/636314572.db2.gz QKCMXAYKKJFCGY-SNVBAGLBSA-N 1 0 235.335 0.967 20 30 BCEDRO CCc1nncn1CCNC(NC1CC1)=[NH+]C ZINC000304278638 636323194 /nfs/dbraw/zinc/32/31/94/636323194.db2.gz GSDMMYJGOVPVTQ-UHFFFAOYSA-N 1 0 236.323 0.168 20 30 BCEDRO [NH2+]=C(NCc1ccon1)N1CCCCC1 ZINC000304501461 636324326 /nfs/dbraw/zinc/32/43/26/636324326.db2.gz PIDQIOAUFOCEMM-UHFFFAOYSA-N 1 0 208.265 0.975 20 30 BCEDRO [NH2+]=C(NCC(=O)NCC1CC1)N1CCCCC1 ZINC000305798042 636333835 /nfs/dbraw/zinc/33/38/35/636333835.db2.gz GMVIKWHGGMRPME-UHFFFAOYSA-N 1 0 238.335 0.313 20 30 BCEDRO C[C@@]1(CNC(=O)NCCC#N)CCC[NH2+]C1 ZINC000418107578 636346446 /nfs/dbraw/zinc/34/64/46/636346446.db2.gz ZETAGMPRBOBTIF-LLVKDONJSA-N 1 0 224.308 0.589 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C(C)(F)F)[C@@H]1C ZINC000985851386 636431537 /nfs/dbraw/zinc/43/15/37/636431537.db2.gz LCPWYOBNESYIJC-RKDXNWHRSA-N 1 0 230.258 0.854 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CCC)[C@H]1C ZINC000985853964 636433781 /nfs/dbraw/zinc/43/37/81/636433781.db2.gz CQOMYMYWEAKDHO-WDEREUQCSA-N 1 0 208.305 0.999 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccncc2)[C@@H]1C ZINC000985884735 636444407 /nfs/dbraw/zinc/44/44/07/636444407.db2.gz KUFUFLQHVSMGSJ-YPMHNXCESA-N 1 0 243.310 0.907 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnccn2)[C@@H]1C ZINC000985913508 636452135 /nfs/dbraw/zinc/45/21/35/636452135.db2.gz ANLDCJQGGRUKKB-GHMZBOCLSA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnn(C)c2)[C@H]1C ZINC000985940133 636454227 /nfs/dbraw/zinc/45/42/27/636454227.db2.gz DWWKRCUCSVKTHX-JQWIXIFHSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C)no2)[C@H]1C ZINC000985959419 636456512 /nfs/dbraw/zinc/45/65/12/636456512.db2.gz VEQDFJZKVBPOKS-QWRGUYRKSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cc(C)no2)[C@@H]1C ZINC000985959413 636456516 /nfs/dbraw/zinc/45/65/16/636456516.db2.gz VEQDFJZKVBPOKS-GHMZBOCLSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)Cn2cccn2)[C@H]1C ZINC000985968472 636457920 /nfs/dbraw/zinc/45/79/20/636457920.db2.gz FUDLDAFTWDCTTD-NWDGAFQWSA-N 1 0 246.314 0.095 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccc[nH]2)[C@@H]1C ZINC000985976586 636459531 /nfs/dbraw/zinc/45/95/31/636459531.db2.gz ZWTDJVDCIMKCAE-MNOVXSKESA-N 1 0 231.299 0.841 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2cc[nH]n2)[C@H]1C ZINC000986087539 636497732 /nfs/dbraw/zinc/49/77/32/636497732.db2.gz YSQKEYQKCXMLAF-CMPLNLGQSA-N 1 0 248.330 0.717 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ocnc2C)[C@H]1C ZINC000986109490 636509648 /nfs/dbraw/zinc/50/96/48/636509648.db2.gz RZJXWYRWTOGZTM-QWRGUYRKSA-N 1 0 247.298 0.809 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cncnc2)[C@H]1C ZINC000986195792 636542862 /nfs/dbraw/zinc/54/28/62/636542862.db2.gz XESKHXHJGKTHQP-JQWIXIFHSA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cnnn2C)[C@@H]1C ZINC000986244812 636547917 /nfs/dbraw/zinc/54/79/17/636547917.db2.gz OHFDGLGWTNJBBR-ZJUUUORDSA-N 1 0 249.318 0.194 20 30 BCEDRO CC[NH2+][C@@H]1CCN(C(=O)C#CC2CC2)[C@@H]1C ZINC000986284738 636551219 /nfs/dbraw/zinc/55/12/19/636551219.db2.gz DMRKRGWMUPFTFZ-ZYHUDNBSSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2n[nH]cc2C)[C@H]1C ZINC000986277279 636552537 /nfs/dbraw/zinc/55/25/37/636552537.db2.gz JHAPTVLLJQOSTG-WDEREUQCSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc[nH]c2)[C@H]1C ZINC000986298824 636553640 /nfs/dbraw/zinc/55/36/40/636553640.db2.gz DDWYYUFHNKZKKW-JQWIXIFHSA-N 1 0 231.299 0.841 20 30 BCEDRO CCNC(NCCN1CCC(O)CC1)=[NH+]CC ZINC000321134451 636577963 /nfs/dbraw/zinc/57/79/63/636577963.db2.gz CPGUBEAMJCHCDO-UHFFFAOYSA-N 1 0 242.367 0.018 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2cnc[nH]2)[C@@H]1C ZINC000987062239 636623050 /nfs/dbraw/zinc/62/30/50/636623050.db2.gz BDKFPUXLQDKSOG-PWSUYJOCSA-N 1 0 246.314 0.164 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ncccn2)[C@H]1C ZINC000987222987 636640538 /nfs/dbraw/zinc/64/05/38/636640538.db2.gz IXOOUIACZYLEFC-WDEREUQCSA-N 1 0 246.314 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cccnn2)[C@H]1C ZINC000987234153 636642802 /nfs/dbraw/zinc/64/28/02/636642802.db2.gz JLDTWGIOXJBFSF-QWRGUYRKSA-N 1 0 244.298 0.302 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2ccn(C)n2)[C@@H]1C ZINC000987525576 636653337 /nfs/dbraw/zinc/65/33/37/636653337.db2.gz PCLGPAYVPWSBHJ-MNOVXSKESA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2[nH]cnc2C)[C@@H]1C ZINC000987624392 636656287 /nfs/dbraw/zinc/65/62/87/636656287.db2.gz FJAUVHWYUORSPQ-MNOVXSKESA-N 1 0 246.314 0.544 20 30 BCEDRO C=C(Cl)C[NH2+][C@H]1C[C@H](C)N(C(=O)COC)C1 ZINC000987659570 636658090 /nfs/dbraw/zinc/65/80/90/636658090.db2.gz ULRVYRLPKXMRPE-UWVGGRQHSA-N 1 0 246.738 0.964 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H]1C[C@H](C)N(C(=O)COC)C1 ZINC000987659572 636659475 /nfs/dbraw/zinc/65/94/75/636659475.db2.gz ULRVYRLPKXMRPE-VHSXEESVSA-N 1 0 246.738 0.964 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)C2CCC2)C1 ZINC000987717940 636664997 /nfs/dbraw/zinc/66/49/97/636664997.db2.gz UEWFWAIFIRCEEN-JQWIXIFHSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)CCC)C1 ZINC000987839928 636670810 /nfs/dbraw/zinc/67/08/10/636670810.db2.gz IXICIQRFSXMFAA-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cnccn2)C1 ZINC000987873397 636672090 /nfs/dbraw/zinc/67/20/90/636672090.db2.gz GIVDNNDAMTXGIG-GHMZBOCLSA-N 1 0 246.314 0.855 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(C)c2)C1 ZINC000987980452 636674108 /nfs/dbraw/zinc/67/41/08/636674108.db2.gz DPVAPMVNYGZPDQ-JQWIXIFHSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cccn2C)C1 ZINC000988123623 636678601 /nfs/dbraw/zinc/67/86/01/636678601.db2.gz MMIAQLYXXCOIBO-NEPJUHHUSA-N 1 0 245.326 0.851 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)C(C)C)C1 ZINC000988135354 636680163 /nfs/dbraw/zinc/68/01/63/636680163.db2.gz PATHXYNAMQACFJ-GHMZBOCLSA-N 1 0 208.305 0.855 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cn[nH]c2)C1 ZINC000988190790 636682461 /nfs/dbraw/zinc/68/24/61/636682461.db2.gz PQQSVJTZRFJWTA-KOLCDFICSA-N 1 0 232.287 0.236 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccon2)C1 ZINC000988222689 636682498 /nfs/dbraw/zinc/68/24/98/636682498.db2.gz CGJPDKFCEXGWIA-VHSXEESVSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ncoc2C)C1 ZINC000988308178 636688189 /nfs/dbraw/zinc/68/81/89/636688189.db2.gz HXRHBEIHFNZRAR-GXSJLCMTSA-N 1 0 247.298 0.809 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2cn(C)cn2)C1 ZINC000988617250 636744571 /nfs/dbraw/zinc/74/45/71/636744571.db2.gz BPEWWJAJXQWXDC-WDEREUQCSA-N 1 0 248.330 0.799 20 30 BCEDRO Cc1cncc(CNC(=[NH2+])NC[C@@H]2CCCO2)c1 ZINC000179232016 636763795 /nfs/dbraw/zinc/76/37/95/636763795.db2.gz HORYBJYNQSBTSG-LBPRGKRZSA-N 1 0 248.330 0.973 20 30 BCEDRO COc1ccc(C(C)=NNC2=[NH+]CCN2)cc1 ZINC000254817932 636783155 /nfs/dbraw/zinc/78/31/55/636783155.db2.gz BWTRHXMZWNQTNY-UHFFFAOYSA-N 1 0 232.287 0.968 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cc[nH]c2)C1 ZINC000988859201 636790684 /nfs/dbraw/zinc/79/06/84/636790684.db2.gz HBZVMKYZRFBDAR-PWSUYJOCSA-N 1 0 231.299 0.841 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2ccns2)C1 ZINC000988912651 636791837 /nfs/dbraw/zinc/79/18/37/636791837.db2.gz PWMINSITLDZFNB-ZJUUUORDSA-N 1 0 249.339 0.969 20 30 BCEDRO C=CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2cncn2C)C1 ZINC000989117972 636798700 /nfs/dbraw/zinc/79/87/00/636798700.db2.gz DSUFWZDKUUSTGY-GHMZBOCLSA-N 1 0 248.330 0.799 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](C)N(C(=O)c2cncn2C)C1 ZINC000989119221 636799068 /nfs/dbraw/zinc/79/90/68/636799068.db2.gz JIPBRMNHUVDMRU-MNOVXSKESA-N 1 0 246.314 0.246 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@H](C)N(C(=O)c2ccnnc2)C1 ZINC000989477194 636858115 /nfs/dbraw/zinc/85/81/15/636858115.db2.gz PLHFLUFWYRHJJS-CMPLNLGQSA-N 1 0 244.298 0.302 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC000989572989 636862818 /nfs/dbraw/zinc/86/28/18/636862818.db2.gz PEPVMQBDMQOTLL-ZJUUUORDSA-N 1 0 249.318 0.573 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](C)N(C(=O)c2nc[nH]n2)C1 ZINC000989572987 636862948 /nfs/dbraw/zinc/86/29/48/636862948.db2.gz PEPVMQBDMQOTLL-UWVGGRQHSA-N 1 0 249.318 0.573 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2cnn(C)n2)C1 ZINC000989551965 636862985 /nfs/dbraw/zinc/86/29/85/636862985.db2.gz YFKDKMUKEDSBJI-UWVGGRQHSA-N 1 0 249.318 0.194 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)c2ncccn2)C1 ZINC000989587989 636865997 /nfs/dbraw/zinc/86/59/97/636865997.db2.gz UKLHJNYMTGMZRV-QWRGUYRKSA-N 1 0 244.298 0.302 20 30 BCEDRO C#CC[NH2+]CC(=O)NCC1CCCCC1 ZINC000082239337 636868920 /nfs/dbraw/zinc/86/89/20/636868920.db2.gz BEIPCNHODDWKIO-UHFFFAOYSA-N 1 0 208.305 0.906 20 30 BCEDRO C#CCN1CCCN(C(=O)C[NH+]2CCCC2)CC1 ZINC000989666417 636873133 /nfs/dbraw/zinc/87/31/33/636873133.db2.gz CAVNZGKBVSSQPI-UHFFFAOYSA-N 1 0 249.358 0.250 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)C(C)(F)F)CC1 ZINC000989847683 636884561 /nfs/dbraw/zinc/88/45/61/636884561.db2.gz AFVLRVZJKIZJEH-UHFFFAOYSA-N 1 0 230.258 0.855 20 30 BCEDRO C#CC[NH2+][C@@H]1C[C@@H](C)N(C(=O)c2[nH]cnc2C)C1 ZINC000989864736 636885293 /nfs/dbraw/zinc/88/52/93/636885293.db2.gz WDJGNJUCPGRKKC-MWLCHTKSSA-N 1 0 246.314 0.544 20 30 BCEDRO C#CC[N@@H+]1CC[C@@]2(NC(=O)C(F)F)CCC[C@H]12 ZINC000989883531 636887812 /nfs/dbraw/zinc/88/78/12/636887812.db2.gz KMSFRJHDKOWEDQ-CABZTGNLSA-N 1 0 242.269 0.998 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)c2cnn(C)c2)CC1 ZINC000989923825 636897865 /nfs/dbraw/zinc/89/78/65/636897865.db2.gz HEGWVGBBHUTZHB-UHFFFAOYSA-N 1 0 246.314 0.248 20 30 BCEDRO C#CCN(C)CCC[NH2+]C1CCN(OC)CC1 ZINC000323212012 636906847 /nfs/dbraw/zinc/90/68/47/636906847.db2.gz XFQDFRJZWFWQLB-UHFFFAOYSA-N 1 0 239.363 0.557 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)[C@H]2CCOC2)CC1 ZINC000990126591 636919861 /nfs/dbraw/zinc/91/98/61/636919861.db2.gz DHHDFAZCNRQHFF-NSHDSACASA-N 1 0 236.315 0.237 20 30 BCEDRO C=C[C@H](C)NC(=O)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000925332499 636931761 /nfs/dbraw/zinc/93/17/61/636931761.db2.gz WDOVIVNEAMEUSP-GUBZILKMSA-N 1 0 211.309 0.953 20 30 BCEDRO C#CC[NH2+]C1CCN(C(=O)Cc2cc[nH]n2)CC1 ZINC000990504488 636959088 /nfs/dbraw/zinc/95/90/88/636959088.db2.gz PDHPBIVIERLUHR-UHFFFAOYSA-N 1 0 246.314 0.166 20 30 BCEDRO C#CCN(C)C(=O)NCc1cc(N(C)C)cc[nH+]1 ZINC000924670996 636986896 /nfs/dbraw/zinc/98/68/96/636986896.db2.gz NCPRYQYIVRDPJE-UHFFFAOYSA-N 1 0 246.314 0.922 20 30 BCEDRO C=CCC[C@H](C)[NH2+]C[C@H](O)CS(C)(=O)=O ZINC000927028227 636997794 /nfs/dbraw/zinc/99/77/94/636997794.db2.gz WJAXXQDJIBJLTN-UWVGGRQHSA-N 1 0 235.349 0.336 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N1CCCn2nncc2C1 ZINC000923798995 637011672 /nfs/dbraw/zinc/01/16/72/637011672.db2.gz XOTNFBBDSHSGDF-UHFFFAOYSA-N 1 0 249.318 0.128 20 30 BCEDRO C=CCCNS(=O)(=O)[C@@H]1CCC[NH2+]C1 ZINC000162026732 637160635 /nfs/dbraw/zinc/16/06/35/637160635.db2.gz UEXJRLMNBJIWRU-SECBINFHSA-N 1 0 218.322 0.234 20 30 BCEDRO COc1ccc(C[NH2+][C@@H]2COC[C@@H]2O)cc1C#N ZINC000323614484 637170313 /nfs/dbraw/zinc/17/03/13/637170313.db2.gz BRDXBYSZETXHEO-NEPJUHHUSA-N 1 0 248.282 0.416 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@]1(C)CCOC1 ZINC000901210756 637232629 /nfs/dbraw/zinc/23/26/29/637232629.db2.gz GRBMNNRXJMPAAT-LBPRGKRZSA-N 1 0 226.320 0.790 20 30 BCEDRO CC(=NNC1=[NH+]C[C@@H](C)N1)c1ccnnc1 ZINC000901214856 637234359 /nfs/dbraw/zinc/23/43/59/637234359.db2.gz FZIKTCQIVHZZHB-SSDOTTSWSA-N 1 0 218.264 0.138 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N(CC)CCCO ZINC000901213863 637234655 /nfs/dbraw/zinc/23/46/55/637234655.db2.gz SFXZTDSQULMGDN-UHFFFAOYSA-N 1 0 228.336 0.725 20 30 BCEDRO C#CC1CC[NH+](CN2C[C@H]3C[C@H]3C2=O)CC1 ZINC000902307311 637290987 /nfs/dbraw/zinc/29/09/87/637290987.db2.gz YFHRRKUBWZGZMT-VXGBXAGGSA-N 1 0 218.300 0.767 20 30 BCEDRO C#CCSCC[NH2+][C@H]1CCO[C@]12CCOC2 ZINC000903120349 637344370 /nfs/dbraw/zinc/34/43/70/637344370.db2.gz NOMNMJBKFBGENV-RYUDHWBXSA-N 1 0 241.356 0.890 20 30 BCEDRO Cc1ncc(CO)c(/C=N/C[C@@H]2CC[N@H+]2C)c1O ZINC000905001953 637539467 /nfs/dbraw/zinc/53/94/67/637539467.db2.gz DBHANIDFEMLOKQ-NGPAHMQLSA-N 1 0 249.314 0.711 20 30 BCEDRO C#CCNC(=O)N1C[C@@H](C(F)(F)F)[C@H]([NH3+])C1 ZINC000905004513 637540312 /nfs/dbraw/zinc/54/03/12/637540312.db2.gz NFDWPKMZJLFRNT-RNFRBKRXSA-N 1 0 235.209 0.151 20 30 BCEDRO C=CCSCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905072907 637602914 /nfs/dbraw/zinc/60/29/14/637602914.db2.gz TYFSIJQOEWKIMI-SNVBAGLBSA-N 1 0 231.361 0.771 20 30 BCEDRO O[C@@H](C[NH2+]CC#Cc1ccccc1)C1(O)CCC1 ZINC000905031571 637577974 /nfs/dbraw/zinc/57/79/74/637577974.db2.gz RXOWKHZQMARYGW-AWEZNQCLSA-N 1 0 245.322 0.904 20 30 BCEDRO N#CCCCC[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000905092048 637632270 /nfs/dbraw/zinc/63/22/70/637632270.db2.gz CAEQAJITKHBFSR-SNVBAGLBSA-N 1 0 212.293 0.546 20 30 BCEDRO C#CCSCC[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905132766 637643910 /nfs/dbraw/zinc/64/39/10/637643910.db2.gz INGLSSHPYTUYSU-LLVKDONJSA-N 1 0 243.372 0.608 20 30 BCEDRO C#CCCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905138132 637647150 /nfs/dbraw/zinc/64/71/50/637647150.db2.gz WQOFYVZYPDAWLO-NSHDSACASA-N 1 0 211.305 0.655 20 30 BCEDRO C#CCCCC[NH2+]C[C@@H](O)C[C@]1(O)CCOC1 ZINC000905160809 637652078 /nfs/dbraw/zinc/65/20/78/637652078.db2.gz SSHZGYVRISXTNO-QWHCGFSZSA-N 1 0 241.331 0.282 20 30 BCEDRO Cc1cnc(C(=O)NCC#CC[NH+](C)C)o1 ZINC000905150948 637658565 /nfs/dbraw/zinc/65/85/65/637658565.db2.gz DKYVBVNUPWDLSV-UHFFFAOYSA-N 1 0 221.260 0.278 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Nc1ccccn1 ZINC000905150979 637658962 /nfs/dbraw/zinc/65/89/62/637658962.db2.gz FGHULFBFXMJRQM-UHFFFAOYSA-N 1 0 232.287 0.768 20 30 BCEDRO C=CCOCC[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000905199498 637693590 /nfs/dbraw/zinc/69/35/90/637693590.db2.gz BAPRYYTWSLBECC-NSHDSACASA-N 1 0 229.320 0.445 20 30 BCEDRO C#CCOCC[NH2+]C[C@@H](O)CCC1(O)CCC1 ZINC000905206262 637695206 /nfs/dbraw/zinc/69/52/06/637695206.db2.gz BKSMBNFJIUBMGH-LBPRGKRZSA-N 1 0 241.331 0.282 20 30 BCEDRO C#CCOCC[NH2+]C[C@@](C)(O)C(F)F ZINC000905205772 637696146 /nfs/dbraw/zinc/69/61/46/637696146.db2.gz AJTPMLCMBGWQPL-SECBINFHSA-N 1 0 207.220 0.242 20 30 BCEDRO C#CCOCC[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000905210428 637697456 /nfs/dbraw/zinc/69/74/56/637697456.db2.gz VBESXPIMBFKAGL-VIFPVBQESA-N 1 0 239.237 0.929 20 30 BCEDRO N#CC1(C[NH2+]C[C@H](O)CC2(O)CCCC2)CC1 ZINC000905242933 637704255 /nfs/dbraw/zinc/70/42/55/637704255.db2.gz GCYKBTWCLIHCGD-LLVKDONJSA-N 1 0 238.331 0.936 20 30 BCEDRO C#C[C@H]([NH2+]C[C@H](O)C1(O)CCCC1)C(C)C ZINC000905246127 637705467 /nfs/dbraw/zinc/70/54/67/637705467.db2.gz GUWBQSPUSREGJL-RYUDHWBXSA-N 1 0 225.332 0.900 20 30 BCEDRO N#CCC1(C[NH2+]C[C@H](O)C2(O)CCCC2)CC1 ZINC000905245582 637705827 /nfs/dbraw/zinc/70/58/27/637705827.db2.gz ADHVZUYAAJIVCJ-NSHDSACASA-N 1 0 238.331 0.936 20 30 BCEDRO C=CC[C@H](CC)[NH2+]C[C@@H](O)C1(O)CCOCC1 ZINC000905242648 637726813 /nfs/dbraw/zinc/72/68/13/637726813.db2.gz DMZSYZYGHCWDIO-NWDGAFQWSA-N 1 0 243.347 0.833 20 30 BCEDRO C#CCN(C)CCC[NH2+]C[C@@](C)(O)C(F)F ZINC000905271244 637729877 /nfs/dbraw/zinc/72/98/77/637729877.db2.gz BHKNYHURCJOXAW-LLVKDONJSA-N 1 0 234.290 0.547 20 30 BCEDRO N#CC1(C[NH2+]C[C@@H](O)C2(O)CCC2)CCC1 ZINC000905291189 637741576 /nfs/dbraw/zinc/74/15/76/637741576.db2.gz YRMCYKUUDVHYLA-SNVBAGLBSA-N 1 0 224.304 0.546 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C[C@@](C)(O)C(F)F ZINC000905354956 637772815 /nfs/dbraw/zinc/77/28/15/637772815.db2.gz QIFFANYVUPYWRK-WCBMZHEXSA-N 1 0 223.263 0.919 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)C[C@H](O)c1ccccc1 ZINC000905356190 637775344 /nfs/dbraw/zinc/77/53/44/637775344.db2.gz DUJPBGAFGVEKNK-KBPBESRZSA-N 1 0 249.310 0.056 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905356534 637775718 /nfs/dbraw/zinc/77/57/18/637775718.db2.gz GDVXCAXDUBNULS-WDEREUQCSA-N 1 0 229.320 0.179 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]C[C@](O)(CC)C(F)(F)F ZINC000905358264 637777492 /nfs/dbraw/zinc/77/74/92/637777492.db2.gz PJHOQLRQOJEGCJ-DTWKUNHWSA-N 1 0 239.237 0.664 20 30 BCEDRO C#C[C@@H]([NH2+]CC[N+](=O)[O-])C1CCOCC1 ZINC000905380174 637783005 /nfs/dbraw/zinc/78/30/05/637783005.db2.gz HGSPUNQFYPZURS-SNVBAGLBSA-N 1 0 212.249 0.281 20 30 BCEDRO C#C[C@H](CO)[NH2+]C[C@H](O)c1cccc(C)c1 ZINC000905365965 637789795 /nfs/dbraw/zinc/78/97/95/637789795.db2.gz LOFWKZOFYHATJC-OLZOCXBDSA-N 1 0 219.284 0.612 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@](O)(CC)C(F)(F)F ZINC000905366521 637789839 /nfs/dbraw/zinc/78/98/39/637789839.db2.gz OSIVEQPAKUQORW-YUMQZZPRSA-N 1 0 225.210 0.274 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@H]1C=CCC1 ZINC000905410052 637800321 /nfs/dbraw/zinc/80/03/21/637800321.db2.gz ONEHEHXUHZDXRJ-NSHDSACASA-N 1 0 206.289 0.682 20 30 BCEDRO CN1CCN(N=Cc2cnn(CCF)c2)CC1 ZINC000905417641 637802692 /nfs/dbraw/zinc/80/26/92/637802692.db2.gz BRVSSHRWMCBVJC-UHFFFAOYSA-N 1 0 239.298 0.434 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@@H](O)C1(O)CCCC1 ZINC000905448906 637807646 /nfs/dbraw/zinc/80/76/46/637807646.db2.gz BYKSWMVTFWAAAO-VXGBXAGGSA-N 1 0 243.347 0.569 20 30 BCEDRO C=C(C)C[C@@H](CO)[NH2+]C[C@H](O)COCC(C)C ZINC000905451756 637809247 /nfs/dbraw/zinc/80/92/47/637809247.db2.gz KVYCHGRCAUSGRN-STQMWFEESA-N 1 0 245.363 0.937 20 30 BCEDRO CC(C)(C)c1coc(C=NNC2=[NH+]CCN2)n1 ZINC000905479432 637819665 /nfs/dbraw/zinc/81/96/65/637819665.db2.gz SBCRZOBQOPPQGS-UHFFFAOYSA-N 1 0 235.291 0.855 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+]C[C@H](O)CCOCC ZINC000905454933 637820865 /nfs/dbraw/zinc/82/08/65/637820865.db2.gz VWGVQIRCZSCJNO-VXGBXAGGSA-N 1 0 231.336 0.691 20 30 BCEDRO C#CCN1CCC[C@H]([NH2+]C[C@@H](O)CSC)C1 ZINC000905461246 637825299 /nfs/dbraw/zinc/82/52/99/637825299.db2.gz PKGSVOBDMXRMTI-NWDGAFQWSA-N 1 0 242.388 0.398 20 30 BCEDRO C[C@@H]1[C@H]([NH2+]C[C@@H](O)CC2(C#N)CC2)CCN1C ZINC000905541948 637839473 /nfs/dbraw/zinc/83/94/73/637839473.db2.gz GQVPECSBBXVYDH-GRYCIOLGSA-N 1 0 237.347 0.723 20 30 BCEDRO CN1CC[C@@H]1C[NH2+]C[C@@H](O)CC(C)(C)C#N ZINC000905546251 637840662 /nfs/dbraw/zinc/84/06/62/637840662.db2.gz KXXXXDARYHUHSC-MNOVXSKESA-N 1 0 225.336 0.581 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C[C@@H]1C[C@H]1C(F)(F)F ZINC000905570935 637849772 /nfs/dbraw/zinc/84/97/72/637849772.db2.gz GZPLNFHKBRNLDO-DTWKUNHWSA-N 1 0 248.248 0.914 20 30 BCEDRO C=C1CCC(C[NH2+]CCC(=O)NC(N)=O)CC1 ZINC000905570592 637849897 /nfs/dbraw/zinc/84/98/97/637849897.db2.gz ZGSLXWIEJIKRQD-UHFFFAOYSA-N 1 0 239.319 0.907 20 30 BCEDRO C#CCNC(=S)NC[C@@H]1CC[N@H+]1CC ZINC000905547941 637851784 /nfs/dbraw/zinc/85/17/84/637851784.db2.gz NYRDGAPOURNZNZ-VIFPVBQESA-N 1 0 211.334 0.178 20 30 BCEDRO N#CCCNC[C@@H]1CC[N@@H+]1C1CCOCC1 ZINC000905619125 637868337 /nfs/dbraw/zinc/86/83/37/637868337.db2.gz KQLVJEWXUVBRAI-LBPRGKRZSA-N 1 0 223.320 0.743 20 30 BCEDRO C#CCNC(=S)N[C@H]1CC[N@H+](C)[C@H]1C ZINC000905648513 637868475 /nfs/dbraw/zinc/86/84/75/637868475.db2.gz ISNRJANGDMAKKB-IUCAKERBSA-N 1 0 211.334 0.176 20 30 BCEDRO C=CCNC(=S)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000905650524 637869756 /nfs/dbraw/zinc/86/97/56/637869756.db2.gz QZIGIXOMSJYBQW-BDAKNGLRSA-N 1 0 213.350 0.729 20 30 BCEDRO C#CC[NH+]1CCC(NC(=S)NC(C)C)CC1 ZINC000905656976 637872211 /nfs/dbraw/zinc/87/22/11/637872211.db2.gz VSUUWHIEXIQFAU-UHFFFAOYSA-N 1 0 239.388 0.957 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+][C@H]2C[C@H](CO)C2)cc1 ZINC000905640131 637879265 /nfs/dbraw/zinc/87/92/65/637879265.db2.gz OYZNZJYZGVFWMX-UBHSHLNASA-N 1 0 246.310 0.952 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C/C=C\Cl ZINC000905709061 637892277 /nfs/dbraw/zinc/89/22/77/637892277.db2.gz VUGDKWBXZQIYAP-HYXAFXHYSA-N 1 0 200.669 0.468 20 30 BCEDRO N#CC1(C[C@@H](O)C[NH2+]CC[C@H](O)C2CC2)CC1 ZINC000905692910 637895877 /nfs/dbraw/zinc/89/58/77/637895877.db2.gz YHVLQZTZPYLKJL-NEPJUHHUSA-N 1 0 238.331 0.792 20 30 BCEDRO C=CC[NH+](CC=C)C[C@H](O)C[C@]1(O)CCOC1 ZINC000905870678 637956459 /nfs/dbraw/zinc/95/64/59/637956459.db2.gz RTLZRCMDSFAFRO-CHWSQXEVSA-N 1 0 241.331 0.563 20 30 BCEDRO C=CC[NH+](CC=C)C[C@H](O)C[C@@]1(O)CCOC1 ZINC000905870692 637956660 /nfs/dbraw/zinc/95/66/60/637956660.db2.gz RTLZRCMDSFAFRO-OLZOCXBDSA-N 1 0 241.331 0.563 20 30 BCEDRO CN1CC[C@@H]1C[NH2+]C[C@H](C#N)CCC#N ZINC000905854255 637965055 /nfs/dbraw/zinc/96/50/55/637965055.db2.gz KYYUMMTYPCCZBF-WDEREUQCSA-N 1 0 206.293 0.724 20 30 BCEDRO N#CCC1C[NH+](C[C@@H](O)CCC2(O)CCC2)C1 ZINC000905962724 638009472 /nfs/dbraw/zinc/00/94/72/638009472.db2.gz MEQLCQKDMGBBHA-LBPRGKRZSA-N 1 0 238.331 0.888 20 30 BCEDRO CC(C)(C)[NH2+]CCC(=O)Nc1c[nH]nc1C#N ZINC000906065920 638042777 /nfs/dbraw/zinc/04/27/77/638042777.db2.gz ZLMINFDHDXCFGV-UHFFFAOYSA-N 1 0 235.291 0.998 20 30 BCEDRO CCC[N@@H+]1CCC[C@H](C(=O)N(CC#N)CC#N)C1 ZINC000906480389 638176202 /nfs/dbraw/zinc/17/62/02/638176202.db2.gz VGTUUIUOBGFKMV-LBPRGKRZSA-N 1 0 248.330 0.984 20 30 BCEDRO C#CCCCNC(=O)C1CN(C)CC[N@H+](C)C1 ZINC000906830902 638252195 /nfs/dbraw/zinc/25/21/95/638252195.db2.gz XPCGMFRENPXXDN-UHFFFAOYSA-N 1 0 237.347 0.009 20 30 BCEDRO C=CCOCCNC(=O)C(=C)CC[NH+](C)C ZINC000907271818 638332757 /nfs/dbraw/zinc/33/27/57/638332757.db2.gz YSHLHXJKFSYOKX-UHFFFAOYSA-N 1 0 226.320 0.813 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C[S@](C)=O ZINC000907337238 638348909 /nfs/dbraw/zinc/34/89/09/638348909.db2.gz VARYTISAOUSXKC-QFYYESIMSA-N 1 0 246.376 0.378 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCC[C@]1(C)CO ZINC000907374844 638364712 /nfs/dbraw/zinc/36/47/12/638364712.db2.gz RRSQMZAQCWMMNY-CYBMUJFWSA-N 1 0 240.347 0.868 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)Nc1nncn1C ZINC000907399353 638373358 /nfs/dbraw/zinc/37/33/58/638373358.db2.gz GKHVWIWUENGLMK-UHFFFAOYSA-N 1 0 223.280 0.262 20 30 BCEDRO C#C[C@@H](NC(=O)C12CC[NH+](CC1)C2)[C@H]1CCCO1 ZINC000907489017 638389855 /nfs/dbraw/zinc/38/98/55/638389855.db2.gz VPFXDNAOXCLBOP-VXGBXAGGSA-N 1 0 248.326 0.379 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@@H](O)[C@@H](C)C1 ZINC000907541023 638398424 /nfs/dbraw/zinc/39/84/24/638398424.db2.gz YYYZVEDJIIUMKN-NWDGAFQWSA-N 1 0 240.347 0.724 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CC[C@H](C)[C@@H]1CO ZINC000907632041 638426284 /nfs/dbraw/zinc/42/62/84/638426284.db2.gz KCPDBGYRSTWEHH-JQWIXIFHSA-N 1 0 240.347 0.724 20 30 BCEDRO C#C[C@H](NC(=O)[C@@]1(C)C[C@H](O)C[N@@H+]1C)C(C)C ZINC000907965529 638528967 /nfs/dbraw/zinc/52/89/67/638528967.db2.gz FYXUNVRLIPBGEX-GMXVVIOVSA-N 1 0 238.331 0.216 20 30 BCEDRO C#CCN(CC#N)C(=O)C(=C)CC[NH+](C)C ZINC000907979971 638533615 /nfs/dbraw/zinc/53/36/15/638533615.db2.gz OPRVESOKMCGRII-UHFFFAOYSA-N 1 0 219.288 0.480 20 30 BCEDRO C#CCN(CC#N)C(=O)C[N@@H+](C)C1CCC1 ZINC000907980002 638534339 /nfs/dbraw/zinc/53/43/39/638534339.db2.gz PLVZPBJKXNSFRF-UHFFFAOYSA-N 1 0 219.288 0.456 20 30 BCEDRO CC(C)(C(=O)NCC#CCO)[NH+]1CCCCC1 ZINC000908028745 638551876 /nfs/dbraw/zinc/55/18/76/638551876.db2.gz DSOQEGYMUWCCRZ-UHFFFAOYSA-N 1 0 238.331 0.363 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCOCC12CC2 ZINC000908060417 638556551 /nfs/dbraw/zinc/55/65/51/638556551.db2.gz XTVKHENNYVLEOO-UHFFFAOYSA-N 1 0 238.331 0.886 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCCOC1 ZINC000908114808 638570223 /nfs/dbraw/zinc/57/02/23/638570223.db2.gz MHUHDPAZBNSVPE-UHFFFAOYSA-N 1 0 212.293 0.701 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC[C@@H](CO)C(C)C ZINC000908193707 638600503 /nfs/dbraw/zinc/60/05/03/638600503.db2.gz XVTRVMHZXOEQBC-LBPRGKRZSA-N 1 0 242.363 0.875 20 30 BCEDRO C#C[C@](C)(CC)NC(=O)Cc1c[nH]cn1 ZINC000908528842 638999866 /nfs/dbraw/zinc/99/98/66/638999866.db2.gz DQVPPRBKNNADFO-LLVKDONJSA-N 1 0 205.261 0.870 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOC(C)(C)CO ZINC000908575875 639020671 /nfs/dbraw/zinc/02/06/71/639020671.db2.gz WFSFUWNRCFVRJQ-UHFFFAOYSA-N 1 0 230.308 0.313 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H]1Cc2cncn2C1 ZINC000908758410 639063297 /nfs/dbraw/zinc/06/32/97/639063297.db2.gz KLEWUQIWWJVESN-LLVKDONJSA-N 1 0 248.330 0.432 20 30 BCEDRO C=C(C)CCNC(=O)[C@@]1(C)C[C@H](O)C[N@H+]1C ZINC000908928905 639102750 /nfs/dbraw/zinc/10/27/50/639102750.db2.gz IQHONMJGSABRBG-CMPLNLGQSA-N 1 0 226.320 0.524 20 30 BCEDRO C[C@@H](O)[C@H](O)C[NH2+]C1(c2cccc(C#N)c2)CC1 ZINC000930218592 639641040 /nfs/dbraw/zinc/64/10/40/639641040.db2.gz ATZSDBODIRVUBY-ZWNOBZJWSA-N 1 0 246.310 0.879 20 30 BCEDRO C=C(C)C[N@H+](C)C[C@@H](O)C[C@]1(O)CCOC1 ZINC000930243623 639650759 /nfs/dbraw/zinc/65/07/59/639650759.db2.gz HLPRSOJAITZGRX-NWDGAFQWSA-N 1 0 229.320 0.397 20 30 BCEDRO C=C(C)C[N@H+](C)CC1CN(S(C)(=O)=O)C1 ZINC000930245368 639655100 /nfs/dbraw/zinc/65/51/00/639655100.db2.gz SVBTWDDKLHVWEV-UHFFFAOYSA-N 1 0 232.349 0.386 20 30 BCEDRO C=C(C)C[N@H+](C)C[C@@H](O)C1(O)CCOCC1 ZINC000930244994 639656686 /nfs/dbraw/zinc/65/66/86/639656686.db2.gz QQCFJFOQFGOGGV-LLVKDONJSA-N 1 0 229.320 0.397 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NOCCC ZINC000911552082 639664691 /nfs/dbraw/zinc/66/46/91/639664691.db2.gz BASCWNSCMPLSJV-UHFFFAOYSA-N 1 0 200.282 0.952 20 30 BCEDRO N#C[C@]1(C(=O)NCC[NH3+])CC2CCC1CC2 ZINC000911622209 639683722 /nfs/dbraw/zinc/68/37/22/639683722.db2.gz DBILOYJERZXYKO-RTYFJBAXSA-N 1 0 221.304 0.781 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCC1CC[NH2+]CC1 ZINC000911672290 639699420 /nfs/dbraw/zinc/69/94/20/639699420.db2.gz KQZOKIMYJAUSBW-LLVKDONJSA-N 1 0 212.293 0.039 20 30 BCEDRO COc1cc(C#N)ccc1C(=O)NCCC[NH3+] ZINC000911648649 639704509 /nfs/dbraw/zinc/70/45/09/639704509.db2.gz RTPDKIXPIHANPW-UHFFFAOYSA-N 1 0 233.271 0.645 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CCC[C@H]1[C@H]1CCCO1 ZINC000930364549 639732305 /nfs/dbraw/zinc/73/23/05/639732305.db2.gz IFIYUVBYZIKBRQ-GRYCIOLGSA-N 1 0 224.304 0.904 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@H]1CCCC[NH2+]1 ZINC000911713897 639739573 /nfs/dbraw/zinc/73/95/73/639739573.db2.gz MFGGRFYKNBMBAW-MWLCHTKSSA-N 1 0 212.293 0.182 20 30 BCEDRO C=C[C@](C)(O)C(=O)NCc1ccc(CC[NH3+])cc1 ZINC000911734265 639760814 /nfs/dbraw/zinc/76/08/14/639760814.db2.gz LXXQXERDUAYVKW-AWEZNQCLSA-N 1 0 248.326 0.741 20 30 BCEDRO C[NH2+]CCNC(=O)c1ccc(C#N)cc1OC ZINC000911746827 639770917 /nfs/dbraw/zinc/77/09/17/639770917.db2.gz BPMOMPZDHOHZSL-UHFFFAOYSA-N 1 0 233.271 0.516 20 30 BCEDRO C[NH2+]CCNC(=O)c1cscc1C#N ZINC000911747439 639773451 /nfs/dbraw/zinc/77/34/51/639773451.db2.gz GNXQIVFXUXCDGT-UHFFFAOYSA-N 1 0 209.274 0.569 20 30 BCEDRO C=C(C)[C@@H]1OCC[C@@H]1C(=O)NC[C@H]1CCC[NH2+]1 ZINC000911750331 639775451 /nfs/dbraw/zinc/77/54/51/639775451.db2.gz ATYQOWLRLZPYNU-WOPDTQHZSA-N 1 0 238.331 0.836 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC([C@H](C)[NH3+])CC1 ZINC000911752785 639782065 /nfs/dbraw/zinc/78/20/65/639782065.db2.gz GMYHDFCGRCYBPW-JOYOIKCWSA-N 1 0 226.320 0.509 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NCCC[NH2+]C(C)C ZINC000911763493 639791677 /nfs/dbraw/zinc/79/16/77/639791677.db2.gz HTRYBPZXUGXUPQ-LLVKDONJSA-N 1 0 214.309 0.428 20 30 BCEDRO CC[C@@H]1C[N@H+](C)CCN1C[C@H](O)CC#N ZINC000930587089 639814601 /nfs/dbraw/zinc/81/46/01/639814601.db2.gz SOGKLDKNMGOGBQ-GHMZBOCLSA-N 1 0 211.309 0.287 20 30 BCEDRO C#C[C@](C)(CC)[NH2+][C@@H]1CCN(OC)C1=O ZINC000930602074 639817287 /nfs/dbraw/zinc/81/72/87/639817287.db2.gz YJYRTHWCTFSDCQ-MWLCHTKSSA-N 1 0 210.277 0.540 20 30 BCEDRO C=C[C@](C)(O)C(=O)N1C[C@H](C)[NH2+][C@@H](C)C1 ZINC000911797095 639819220 /nfs/dbraw/zinc/81/92/20/639819220.db2.gz RDNTYLBILGCWDE-QXEWZRGKSA-N 1 0 212.293 0.132 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1[NH2+]C[C@H](O)C1(O)CCCC1 ZINC000930639197 639837060 /nfs/dbraw/zinc/83/70/60/639837060.db2.gz MGWHIPPKSXTGFR-WOPDTQHZSA-N 1 0 241.331 0.586 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N[C@H](C[NH3+])C1CCCCC1 ZINC000911822727 639837203 /nfs/dbraw/zinc/83/72/03/639837203.db2.gz ZBMKLDYFIRPBQI-DGCLKSJQSA-N 1 0 240.347 0.947 20 30 BCEDRO CC[C@H](CO)[NH+]1CCC(C#N)(C(=O)OC)CC1 ZINC000930638672 639837208 /nfs/dbraw/zinc/83/72/08/639837208.db2.gz JJMGTBRJFOWVCX-SNVBAGLBSA-N 1 0 240.303 0.536 20 30 BCEDRO C=C[C@@](C)(O)C(=O)NC[C@@H]([NH3+])C(C)C ZINC000911823923 639837857 /nfs/dbraw/zinc/83/78/57/639837857.db2.gz BDQGAEMRSPZZKG-PSASIEDQSA-N 1 0 200.282 0.023 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1[NH2+]C[C@@H](O)C1(O)CCC1 ZINC000930646773 639843395 /nfs/dbraw/zinc/84/33/95/639843395.db2.gz QAGLJKHSZKZGDF-GRYCIOLGSA-N 1 0 241.331 0.586 20 30 BCEDRO C=C[C@](C)(O)C(=O)N(C)CC[C@@H]([NH3+])C(C)C ZINC000911871296 639853804 /nfs/dbraw/zinc/85/38/04/639853804.db2.gz RTOYLZORDSUQGG-PWSUYJOCSA-N 1 0 228.336 0.755 20 30 BCEDRO CCO[C@@H]1CCC[C@H]1[NH2+]C[C@H](O)CC#N ZINC000930664440 639851966 /nfs/dbraw/zinc/85/19/66/639851966.db2.gz BERIUFOXMJMGOQ-GMTAPVOTSA-N 1 0 212.293 0.808 20 30 BCEDRO CC(C)(C[NH+]1CCCC1)NC[C@H](O)CC#N ZINC000930678422 639860800 /nfs/dbraw/zinc/86/08/00/639860800.db2.gz XEUQMKMPKBXKDY-LLVKDONJSA-N 1 0 225.336 0.725 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000930692200 639862424 /nfs/dbraw/zinc/86/24/24/639862424.db2.gz FGGWCICAFRXFCI-MNOVXSKESA-N 1 0 242.319 0.171 20 30 BCEDRO CC[C@H](CC#N)[NH2+]C[C@H](O)C[C@]1(O)CCOC1 ZINC000930693416 639864134 /nfs/dbraw/zinc/86/41/34/639864134.db2.gz NHNXSYPROXAKSV-IJLUTSLNSA-N 1 0 242.319 0.171 20 30 BCEDRO C=C[C@H](CC)CC(=O)N1CCN(C)C[C@H]1C[NH3+] ZINC000911878024 639865384 /nfs/dbraw/zinc/86/53/84/639865384.db2.gz DEDIBBXBAOHBTC-VXGBXAGGSA-N 1 0 239.363 0.690 20 30 BCEDRO CN(C)C(=O)[C@H]1CC[N@H+](C[C@H](C#N)CCC#N)C1 ZINC000930715552 639875022 /nfs/dbraw/zinc/87/50/22/639875022.db2.gz JAGVCGDEZITYLJ-RYUDHWBXSA-N 1 0 248.330 0.840 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CC[C@@H](c2nnc(C)[nH]2)C1 ZINC000930724303 639878580 /nfs/dbraw/zinc/87/85/80/639878580.db2.gz BPQHFBOWWDJRGG-GHMZBOCLSA-N 1 0 236.319 0.839 20 30 BCEDRO C=CCNC(=O)C1=NOC2(C1)CC[NH2+]CC2 ZINC000911925955 639882591 /nfs/dbraw/zinc/88/25/91/639882591.db2.gz MTQSQFCHIWBZJS-UHFFFAOYSA-N 1 0 223.276 0.187 20 30 BCEDRO C[C@@H]1C[C@@H](CO)C[N@H+](C[C@H](O)CC#N)C1 ZINC000930747712 639894442 /nfs/dbraw/zinc/89/44/42/639894442.db2.gz FPCVVUHVJNMXDU-GMTAPVOTSA-N 1 0 212.293 0.211 20 30 BCEDRO C[C@H](C#N)C(=O)N(CCO)C1CC[NH+](C)CC1 ZINC000911938913 639900359 /nfs/dbraw/zinc/90/03/59/639900359.db2.gz MZJKXWYFMAFDKS-SNVBAGLBSA-N 1 0 239.319 0.061 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@H](O)CC12CCC2 ZINC000930755960 639900791 /nfs/dbraw/zinc/90/07/91/639900791.db2.gz UDTJAKXNLVORHT-WDEREUQCSA-N 1 0 224.304 0.640 20 30 BCEDRO CCOC(=O)/C=C/CN1CC[C@@](O)(CC#N)C1 ZINC000930818390 639913130 /nfs/dbraw/zinc/91/31/30/639913130.db2.gz HCQBKTNAIGBWFF-PCAWENJQSA-N 1 0 238.287 0.456 20 30 BCEDRO CC(C)O[C@@H]1CC[N@H+](C[C@H](O)CC#N)C1 ZINC000930810315 639913702 /nfs/dbraw/zinc/91/37/02/639913702.db2.gz HIMALYIYLCFXHU-GHMZBOCLSA-N 1 0 212.293 0.760 20 30 BCEDRO N#CC[C@@]1(O)CC[N@H+](CCO[C@@H]2CCOC2)C1 ZINC000930818830 639922228 /nfs/dbraw/zinc/92/22/28/639922228.db2.gz PFGVSMOFDLKODQ-VXGBXAGGSA-N 1 0 240.303 0.142 20 30 BCEDRO C=C[C@@H](O)C(=O)N1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC000912024939 639922915 /nfs/dbraw/zinc/92/29/15/639922915.db2.gz XNBFRSOAWTZWTP-OUAUKWLOSA-N 1 0 226.320 0.474 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@@H](C)[N@H+](CC)[C@@H](C)C1 ZINC000912024938 639924120 /nfs/dbraw/zinc/92/41/20/639924120.db2.gz XNBFRSOAWTZWTP-AXFHLTTASA-N 1 0 226.320 0.474 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+]1CC[C@@]2(CC2(F)F)C1 ZINC000930868147 639959142 /nfs/dbraw/zinc/95/91/42/639959142.db2.gz VDOOITWSBMHUTD-RKDXNWHRSA-N 1 0 216.231 0.992 20 30 BCEDRO C#CCOCC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930910729 639980218 /nfs/dbraw/zinc/98/02/18/639980218.db2.gz HPJYSKWZLMVDMG-UTUOFQBUSA-N 1 0 238.331 0.611 20 30 BCEDRO C#CCC[N@@H+]1[C@H](C)CC[C@H](C(N)=O)[C@H]1C ZINC000930914054 639983254 /nfs/dbraw/zinc/98/32/54/639983254.db2.gz ZCBVEVZUSXMLFL-MXWKQRLJSA-N 1 0 208.305 0.984 20 30 BCEDRO C[C@@H]1CCC[N@H+](C[C@H](O)CC#N)[C@@H]1CCO ZINC000930972149 640006448 /nfs/dbraw/zinc/00/64/48/640006448.db2.gz YENPACJYHYZGEN-IJLUTSLNSA-N 1 0 226.320 0.744 20 30 BCEDRO C=CCCC[C@H]([NH3+])C(=O)N(C)CCOC ZINC000912258766 640006902 /nfs/dbraw/zinc/00/69/02/640006902.db2.gz XGGOZAKNJWZKFX-JTQLQIEISA-N 1 0 214.309 0.775 20 30 BCEDRO C[C@H]1CCC[N@H+](C[C@H](O)CC#N)[C@H]1CCO ZINC000930972151 640007394 /nfs/dbraw/zinc/00/73/94/640007394.db2.gz YENPACJYHYZGEN-TUAOUCFPSA-N 1 0 226.320 0.744 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H](CO)C1CCC1 ZINC000912297915 640019432 /nfs/dbraw/zinc/01/94/32/640019432.db2.gz VCFWOEQTPMLORC-GFCCVEGCSA-N 1 0 240.347 0.772 20 30 BCEDRO C#CCNC(=O)CC[N@H+]1CC[C@H](N(C)C)[C@H]1C ZINC000931039284 640033765 /nfs/dbraw/zinc/03/37/65/640033765.db2.gz XGGXSMAYSQFCSH-NEPJUHHUSA-N 1 0 237.347 0.150 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NC/C=C\CO ZINC000912385631 640038734 /nfs/dbraw/zinc/03/87/34/640038734.db2.gz JSIAEMWHGPSKTQ-PLNGDYQASA-N 1 0 212.293 0.159 20 30 BCEDRO C[C@]1(NC(=O)CC#N)C[NH+]2CCC1CC2 ZINC000912375073 640044242 /nfs/dbraw/zinc/04/42/42/640044242.db2.gz DKSXNINQLQEQGL-NSHDSACASA-N 1 0 207.277 0.501 20 30 BCEDRO CC#CC(=O)N[C@@]1(C)C[NH+]2CCC1CC2 ZINC000912375638 640045659 /nfs/dbraw/zinc/04/56/59/640045659.db2.gz IRZMPUIPZHJJKZ-LBPRGKRZSA-N 1 0 206.289 0.610 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@@H](C)C1(CO)CC1 ZINC000912397148 640050952 /nfs/dbraw/zinc/05/09/52/640050952.db2.gz CEPVCZCWYOATDL-NSHDSACASA-N 1 0 240.347 0.772 20 30 BCEDRO C[C@H]1CC[N@H+](C[C@H](O)CC#N)C[C@H]1CO ZINC000931099590 640063379 /nfs/dbraw/zinc/06/33/79/640063379.db2.gz IYFAODHVZGLFEC-GARJFASQSA-N 1 0 212.293 0.211 20 30 BCEDRO C[C@@H]1C[N@H+](C[C@H](O)CC#N)C[C@]1(C)CO ZINC000931067555 640057249 /nfs/dbraw/zinc/05/72/49/640057249.db2.gz WEBWZXUOBUHSGP-GMTAPVOTSA-N 1 0 212.293 0.211 20 30 BCEDRO C#CCC[N@@H+](CCOC)C[C@H](O)C1(O)CCC1 ZINC000931070903 640060103 /nfs/dbraw/zinc/06/01/03/640060103.db2.gz LJOCNUPLRAWQIE-LBPRGKRZSA-N 1 0 241.331 0.234 20 30 BCEDRO C#CC1(O)CC[NH+]([C@H]2CCN(CC=C)C2=O)CC1 ZINC000931149943 640078682 /nfs/dbraw/zinc/07/86/82/640078682.db2.gz UNUKULSTWBFPQY-LBPRGKRZSA-N 1 0 248.326 0.233 20 30 BCEDRO C#CC1(O)CC[NH+]([C@@H]2CCCN(C)C2=O)CC1 ZINC000931151657 640079677 /nfs/dbraw/zinc/07/96/77/640079677.db2.gz ZXLWEVCQHFOPIG-LLVKDONJSA-N 1 0 236.315 0.067 20 30 BCEDRO C=CCCC[C@@H]([NH3+])C(=O)N[C@@H](C)C(=O)OC ZINC000912453206 640082810 /nfs/dbraw/zinc/08/28/10/640082810.db2.gz ZRLBPFPMUATZAA-DTWKUNHWSA-N 1 0 228.292 0.348 20 30 BCEDRO C=CCN(Cc1ccccc1)C(=O)C[C@H](O)C[NH3+] ZINC000912486901 640083911 /nfs/dbraw/zinc/08/39/11/640083911.db2.gz FDNVOUDQIMAMIP-ZDUSSCGKSA-N 1 0 248.326 0.911 20 30 BCEDRO CNC(=O)CCCNC(NC(C)(C)C)=[NH+]C ZINC000912496744 640087444 /nfs/dbraw/zinc/08/74/44/640087444.db2.gz DZNURCMEYVGXTJ-UHFFFAOYSA-N 1 0 228.340 0.476 20 30 BCEDRO C[NH+]=C(NC[C@@H]1CCOC1)NC(C)(C)C ZINC000912497066 640095633 /nfs/dbraw/zinc/09/56/33/640095633.db2.gz NHZXRGAYCMSNEE-VIFPVBQESA-N 1 0 213.325 0.986 20 30 BCEDRO C=C(C)[C@H](CO)[N@H+]1CCc2c(n(C)[nH]c2=O)C1 ZINC000931194364 640100393 /nfs/dbraw/zinc/10/03/93/640100393.db2.gz CRTAZOYMQCKAOM-NSHDSACASA-N 1 0 237.303 0.421 20 30 BCEDRO C=C(C)[C@@H](CO)N1C[C@H]2[C@@H](C1)[C@@H]2[NH+](C)C ZINC000931278478 640130267 /nfs/dbraw/zinc/13/02/67/640130267.db2.gz DTXDOSLHJKQGTH-KXNHARMFSA-N 1 0 210.321 0.415 20 30 BCEDRO C[N@H+](C[C@H](O)CC#N)[C@@H]1CCCC[C@H]1O ZINC000931383173 640172730 /nfs/dbraw/zinc/17/27/30/640172730.db2.gz XXZXAPLWRQQFGT-GMTAPVOTSA-N 1 0 212.293 0.496 20 30 BCEDRO C=CCCCC[N@H+]1CCN(C)[C@@H](CO)C1 ZINC000931399071 640178160 /nfs/dbraw/zinc/17/81/60/640178160.db2.gz KUNNQFGGAUGHHP-GFCCVEGCSA-N 1 0 212.337 0.951 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](O)C1 ZINC000912729320 640181173 /nfs/dbraw/zinc/18/11/73/640181173.db2.gz ALUAOKFLZYYDMG-MGCOHNPYSA-N 1 0 212.293 0.134 20 30 BCEDRO CCC#C[C@H](C)N1CC[N@H+](C)[C@H](CO)C1 ZINC000931403544 640183673 /nfs/dbraw/zinc/18/36/73/640183673.db2.gz MUZGYVGUMWHUGQ-RYUDHWBXSA-N 1 0 210.321 0.397 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1cnc2nccn2c1 ZINC000912838005 640220325 /nfs/dbraw/zinc/22/03/25/640220325.db2.gz AGIYQDRUWUMYRS-UHFFFAOYSA-N 1 0 245.286 0.786 20 30 BCEDRO C=C[C@@](C)(O)C(=O)N1CCC([NH+]2CCC2)CC1 ZINC000912871463 640228075 /nfs/dbraw/zinc/22/80/75/640228075.db2.gz ULHTUNKDXMMION-CYBMUJFWSA-N 1 0 238.331 0.620 20 30 BCEDRO N#CC1(CC(=O)N2CC[C@H]([NH+]3CCC3)C2)CC1 ZINC000912906506 640232773 /nfs/dbraw/zinc/23/27/73/640232773.db2.gz FQIVCHNQGRYYMB-NSHDSACASA-N 1 0 233.315 0.987 20 30 BCEDRO N#CC1(CC(=O)N2CC[C@@H]([NH+]3CCC3)C2)CC1 ZINC000912906505 640233475 /nfs/dbraw/zinc/23/34/75/640233475.db2.gz FQIVCHNQGRYYMB-LLVKDONJSA-N 1 0 233.315 0.987 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000931652740 640304850 /nfs/dbraw/zinc/30/48/50/640304850.db2.gz CYLVDWCCUZTICA-DTWKUNHWSA-N 1 0 225.292 0.029 20 30 BCEDRO C#CCC1(O)CCN(CC[NH+]2CCCC2)CC1 ZINC000931700382 640324643 /nfs/dbraw/zinc/32/46/43/640324643.db2.gz NZALCGGFTDDMMA-UHFFFAOYSA-N 1 0 236.359 0.932 20 30 BCEDRO C#CCNC(=O)[C@@H](C)N1[C@@H]2CC[C@H]1C[N@H+](C)CC2 ZINC000931728204 640344321 /nfs/dbraw/zinc/34/43/21/640344321.db2.gz PLCSRPLAZHHDMU-UPJWGTAASA-N 1 0 249.358 0.293 20 30 BCEDRO C=C[C@H](O)C(=O)N1C[C@]2(C)C[NH+](C)C[C@@]2(C)C1 ZINC000913276645 640346173 /nfs/dbraw/zinc/34/61/73/640346173.db2.gz JYWGKFOPWHKJKM-DRZSPHRISA-N 1 0 238.331 0.334 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@]1(C)CCCO1 ZINC000151239425 640346732 /nfs/dbraw/zinc/34/67/32/640346732.db2.gz FXABNXNAAFNCTL-ONGXEEELSA-N 1 0 229.324 0.495 20 30 BCEDRO CC[C@H](CO)[NH2+]CC(=O)N(CC)C[C@@H](C)C#N ZINC000931766297 640358996 /nfs/dbraw/zinc/35/89/96/640358996.db2.gz AEACZYGHUBJFRK-WDEREUQCSA-N 1 0 241.335 0.355 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C1(C2CC2)CC1 ZINC000913524979 640379927 /nfs/dbraw/zinc/37/99/27/640379927.db2.gz FKLJYTCSTRNRHC-UHFFFAOYSA-N 1 0 220.316 0.858 20 30 BCEDRO COc1ncccc1C(=O)NCC#CC[NH+](C)C ZINC000913516215 640380806 /nfs/dbraw/zinc/38/08/06/640380806.db2.gz GRSHXMVWYOZGCO-UHFFFAOYSA-N 1 0 247.298 0.385 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Cc1ccncc1 ZINC000913516149 640380872 /nfs/dbraw/zinc/38/08/72/640380872.db2.gz CYLFUNCFELTDGP-UHFFFAOYSA-N 1 0 231.299 0.305 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)C[C@@H]1CCCCO1 ZINC000913519949 640382404 /nfs/dbraw/zinc/38/24/04/640382404.db2.gz WEDKYRVOAVEISY-LBPRGKRZSA-N 1 0 238.331 0.627 20 30 BCEDRO CC[C@H](C)OCC(=O)NCC#CC[NH+](C)C ZINC000913520118 640382839 /nfs/dbraw/zinc/38/28/39/640382839.db2.gz DCIVBLLGXZICCC-NSHDSACASA-N 1 0 226.320 0.483 20 30 BCEDRO Cc1cnc(C(=O)NCC#CC[NH+](C)C)c(C)c1 ZINC000913521333 640383473 /nfs/dbraw/zinc/38/34/73/640383473.db2.gz UPANRLMFISFUNV-UHFFFAOYSA-N 1 0 245.326 0.993 20 30 BCEDRO C[N@H+]1C[C@H]2CC[C@@H](C1)N2C(=O)CCCC#N ZINC000913533956 640387606 /nfs/dbraw/zinc/38/76/06/640387606.db2.gz GVIUZRGHXZEJSA-PHIMTYICSA-N 1 0 221.304 0.985 20 30 BCEDRO C=C[C@](C)(CC)C(=O)N1CCN(C)[C@H](CO)C1 ZINC000913544871 640393858 /nfs/dbraw/zinc/39/38/58/640393858.db2.gz OIDONNQZMCXAHF-WCQYABFASA-N 1 0 240.347 0.724 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]([C@@]2(C)COC(=O)N2)C1 ZINC000932027921 640413152 /nfs/dbraw/zinc/41/31/52/640413152.db2.gz BAUOYQUVRLLALT-CMPLNLGQSA-N 1 0 222.288 0.830 20 30 BCEDRO Cn1ccc([C@H]2CCC[N@H+](C[C@H](O)CC#N)C2)n1 ZINC000932135939 640437059 /nfs/dbraw/zinc/43/70/59/640437059.db2.gz IWXOBOWBSYURJO-NWDGAFQWSA-N 1 0 248.330 0.874 20 30 BCEDRO C=C(Cl)CNC(=O)C[C@H]([NH3+])C1CC1 ZINC000164175678 640454508 /nfs/dbraw/zinc/45/45/08/640454508.db2.gz MUSHYNVCMUIADO-QMMMGPOBSA-N 1 0 202.685 0.983 20 30 BCEDRO CC(C)[C@H](C[NH+](C)C)NC(=O)[C@H](C)C#N ZINC000044825402 640464645 /nfs/dbraw/zinc/46/46/45/640464645.db2.gz DERWCKWSCRCRJR-ZJUUUORDSA-N 1 0 211.309 0.848 20 30 BCEDRO CC(C)[C@@H](C[NH+](C)C)NC(=O)[C@@H](C)C#N ZINC000044825399 640464157 /nfs/dbraw/zinc/46/41/57/640464157.db2.gz DERWCKWSCRCRJR-VHSXEESVSA-N 1 0 211.309 0.848 20 30 BCEDRO C#CC[N@H+](C[C@H](O)CC(C)(C)O)C(C)C ZINC000932383989 640511717 /nfs/dbraw/zinc/51/17/17/640511717.db2.gz LOMXAEOAPZQYPD-LLVKDONJSA-N 1 0 213.321 0.852 20 30 BCEDRO C#CC[N@@H+](CCN1C(=O)CCC1=O)C(C)C ZINC000932388854 640517409 /nfs/dbraw/zinc/51/74/09/640517409.db2.gz YEKNLVZPKONYAL-UHFFFAOYSA-N 1 0 222.288 0.479 20 30 BCEDRO C[C@H](NC(=O)NCC#CC[NH+](C)C)C(F)F ZINC000932435078 640527875 /nfs/dbraw/zinc/52/78/75/640527875.db2.gz RRWSJCYTBNQFGW-QMMMGPOBSA-N 1 0 233.262 0.504 20 30 BCEDRO C#CC[N@@H+](CCN1C(=O)CCC1=O)C(C)(C)C ZINC000932464464 640537558 /nfs/dbraw/zinc/53/75/58/640537558.db2.gz ZUNUWXTVDDFCRL-UHFFFAOYSA-N 1 0 236.315 0.869 20 30 BCEDRO C[C@@H](C#N)CNC(=O)COC1CC[NH+](C)CC1 ZINC000932472379 640541068 /nfs/dbraw/zinc/54/10/68/640541068.db2.gz NUJDXBNUCADWTO-JTQLQIEISA-N 1 0 239.319 0.373 20 30 BCEDRO CC[N@H+](CCOCCC#N)CCC(N)=O ZINC000932479486 640546014 /nfs/dbraw/zinc/54/60/14/640546014.db2.gz AWIQHAKBZNDYSV-UHFFFAOYSA-N 1 0 213.281 0.114 20 30 BCEDRO C[C@@H]1COC[C@H]1[NH2+]CCC(=O)N(C)CCC#N ZINC000932491033 640556633 /nfs/dbraw/zinc/55/66/33/640556633.db2.gz ZUXDNPWFYYIQRL-GHMZBOCLSA-N 1 0 239.319 0.373 20 30 BCEDRO CCOC(=O)[C@@H]1CC[N@H+](CCOCCC#N)C1 ZINC000932639820 640594427 /nfs/dbraw/zinc/59/44/27/640594427.db2.gz RVXADFJSKVQPOV-LLVKDONJSA-N 1 0 240.303 0.802 20 30 BCEDRO CC#CC[NH+]1CCC2(CCNC(=O)O2)CC1 ZINC000932760100 640607566 /nfs/dbraw/zinc/60/75/66/640607566.db2.gz KAPLVXNRGXDYQC-UHFFFAOYSA-N 1 0 222.288 0.974 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)c2ccon2)C[C@@H]1C ZINC000947088533 640609704 /nfs/dbraw/zinc/60/97/04/640609704.db2.gz GRBTYPJDRCSXKS-WDEREUQCSA-N 1 0 247.298 0.891 20 30 BCEDRO C#C[C@H](C)[NH2+]Cc1cnc(N(C)C)n1C ZINC000166350051 640629992 /nfs/dbraw/zinc/62/99/92/640629992.db2.gz GPZYYENHCUPBAO-VIFPVBQESA-N 1 0 206.293 0.597 20 30 BCEDRO C=C(C)CN1CC(NC(=O)c2ccnn2C)C1 ZINC001030145259 640631257 /nfs/dbraw/zinc/63/12/57/640631257.db2.gz VRXNEJZIBUNCMB-UHFFFAOYSA-N 1 0 234.303 0.410 20 30 BCEDRO C=CCC[C@@H](O)C[N@H+]1C2CCC1(C(N)=O)CC2 ZINC000932933628 640648547 /nfs/dbraw/zinc/64/85/47/640648547.db2.gz IKKRAJJUSIEDTG-QWKFWESOSA-N 1 0 238.331 0.796 20 30 BCEDRO C=C(Cl)CN1CC[C@H](CS(N)(=O)=O)C1 ZINC000932945758 640649742 /nfs/dbraw/zinc/64/97/42/640649742.db2.gz HYXMNNTYOYUBQC-QMMMGPOBSA-N 1 0 238.740 0.349 20 30 BCEDRO CCCNC(=[NH2+])NCC(C)(C)C(=O)NC ZINC000157374281 640669815 /nfs/dbraw/zinc/66/98/15/640669815.db2.gz USQRYNAUMWDUDW-UHFFFAOYSA-N 1 0 214.313 0.073 20 30 BCEDRO C=CCOCC[N@@H+]1CCCNC(=O)[C@@H]1CC ZINC000933231319 640687182 /nfs/dbraw/zinc/68/71/82/640687182.db2.gz JWGLJWWCYDPRMB-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C#CCOCC[N@@H+]1CCCNC(=O)[C@@H]1CC ZINC000933232997 640687570 /nfs/dbraw/zinc/68/75/70/640687570.db2.gz FSGFPMLBNKZXCD-NSHDSACASA-N 1 0 224.304 0.237 20 30 BCEDRO C#CCC1([NH2+]C[C@H]2CNC(=O)C2)CCC1 ZINC000933294127 640693550 /nfs/dbraw/zinc/69/35/50/640693550.db2.gz GKYZHKSXQLJSBZ-SNVBAGLBSA-N 1 0 206.289 0.658 20 30 BCEDRO C#CCC1([NH2+]C[C@H](C)S(C)(=O)=O)CCC1 ZINC000933294138 640699053 /nfs/dbraw/zinc/69/90/53/640699053.db2.gz GRCMWCBOGAVMDG-JTQLQIEISA-N 1 0 229.345 0.955 20 30 BCEDRO C#CCC1([NH2+]C[C@@H]2CNC(=O)C2)CCC1 ZINC000933294124 640699359 /nfs/dbraw/zinc/69/93/59/640699359.db2.gz GKYZHKSXQLJSBZ-JTQLQIEISA-N 1 0 206.289 0.658 20 30 BCEDRO C#CCC1([NH2+]C[C@@H](O)CC(=O)OCC)CCC1 ZINC000933294123 640699478 /nfs/dbraw/zinc/69/94/78/640699478.db2.gz GKXSGBXWJDLEHN-NSHDSACASA-N 1 0 239.315 0.836 20 30 BCEDRO C#CCC1([NH2+]CC(=O)Nc2cccnn2)CCC1 ZINC000933295877 640700893 /nfs/dbraw/zinc/70/08/93/640700893.db2.gz XTOJYQGMQCRFKD-UHFFFAOYSA-N 1 0 244.298 0.951 20 30 BCEDRO C#CCC1([NH2+]C[C@@H]2COCCO2)CCC1 ZINC000933295428 640701249 /nfs/dbraw/zinc/70/12/49/640701249.db2.gz WPQSGJSYKMNHRI-LLVKDONJSA-N 1 0 209.289 0.937 20 30 BCEDRO C#CCC1([NH2+]C[C@H](O)C2(O)CCC2)CCC1 ZINC000933295477 640701378 /nfs/dbraw/zinc/70/13/78/640701378.db2.gz WWDWXOVPNDMOLN-NSHDSACASA-N 1 0 223.316 0.798 20 30 BCEDRO C#CCC1([NH2+]CC(=O)N2CCOCC2)CCC1 ZINC000933302062 640702619 /nfs/dbraw/zinc/70/26/19/640702619.db2.gz KKTOZGHJSZFQJW-UHFFFAOYSA-N 1 0 236.315 0.381 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH2+][C@@H](C)C1CCC1 ZINC000157726826 640729478 /nfs/dbraw/zinc/72/94/78/640729478.db2.gz AOCVLZDNOMRAEM-UWVGGRQHSA-N 1 0 208.305 0.903 20 30 BCEDRO C#CC[NH+]1CCC(N2CCCOC2=O)CC1 ZINC000933621811 640736243 /nfs/dbraw/zinc/73/62/43/640736243.db2.gz MJQHLYITQRSXOF-UHFFFAOYSA-N 1 0 222.288 0.926 20 30 BCEDRO C=CCCN1CC(NC(=O)Cc2ccn(C)n2)C1 ZINC001030294518 640736799 /nfs/dbraw/zinc/73/67/99/640736799.db2.gz JSJSFWYVFUXHAA-UHFFFAOYSA-N 1 0 248.330 0.339 20 30 BCEDRO C=C(C)CNC(=S)NNC(=O)CC[NH+](C)C ZINC000058727121 640736902 /nfs/dbraw/zinc/73/69/02/640736902.db2.gz OFGFGBYSYKXHGT-UHFFFAOYSA-N 1 0 244.364 0.010 20 30 BCEDRO C#CC[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933654141 640739627 /nfs/dbraw/zinc/73/96/27/640739627.db2.gz OWAOYCRLPDSCPC-UHFFFAOYSA-N 1 0 205.257 0.957 20 30 BCEDRO C[C@H](CO)C[NH+]1CCC2(CC1)CC(=O)C=CO2 ZINC000933647987 640740033 /nfs/dbraw/zinc/74/00/33/640740033.db2.gz LRMYSXRMSRAXDY-NSHDSACASA-N 1 0 239.315 0.953 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H]1CCCNC(=O)C1 ZINC000167815157 640750471 /nfs/dbraw/zinc/75/04/71/640750471.db2.gz HZKXSQYPZAEMIM-MRVPVSSYSA-N 1 0 202.685 0.997 20 30 BCEDRO C=CCC[N@H+]1C[C@@H]2CS(=O)(=O)C[C@@H]2C1 ZINC000933721181 640751263 /nfs/dbraw/zinc/75/12/63/640751263.db2.gz BQFAXLKXBIRITD-AOOOYVTPSA-N 1 0 215.318 0.539 20 30 BCEDRO CC#CCN1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030336332 640770663 /nfs/dbraw/zinc/77/06/63/640770663.db2.gz KHZGECAUVDWUST-DGCLKSJQSA-N 1 0 249.358 0.150 20 30 BCEDRO C=C(C)[C@@H](CO)[N@H+](CC)CCC(=O)NC ZINC000933864200 640774450 /nfs/dbraw/zinc/77/44/50/640774450.db2.gz PKGZIVGDRHATDB-SNVBAGLBSA-N 1 0 214.309 0.381 20 30 BCEDRO C=CCC[NH+]1CCN(C)CCN(C)CC1 ZINC000933990208 640799236 /nfs/dbraw/zinc/79/92/36/640799236.db2.gz CZLRJQHSMPPNTL-UHFFFAOYSA-N 1 0 211.353 0.742 20 30 BCEDRO CC(C)[C@H](CCO)[NH2+]CC(=O)NCCC#N ZINC000227013214 640809703 /nfs/dbraw/zinc/80/97/03/640809703.db2.gz WELJHUOZEPKFCE-JTQLQIEISA-N 1 0 227.308 0.013 20 30 BCEDRO C[N@H+](CCCCCO)CC(=O)NCCC#N ZINC000227114269 640814885 /nfs/dbraw/zinc/81/48/85/640814885.db2.gz AXUAASJEVOVZNW-UHFFFAOYSA-N 1 0 227.308 0.111 20 30 BCEDRO CO[C@@H](C[NH3+])C(=O)Nc1cccc(C#N)c1 ZINC000227344521 640828802 /nfs/dbraw/zinc/82/88/02/640828802.db2.gz SAYOJPMAWWPLIN-JTQLQIEISA-N 1 0 219.244 0.470 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@@H]1C ZINC000227565921 640839988 /nfs/dbraw/zinc/83/99/88/640839988.db2.gz BTMQWPVSURWSDD-MNOVXSKESA-N 1 0 208.305 0.856 20 30 BCEDRO CC[NH+](CC)[C@H](C)CNC(=O)NCCC#N ZINC000350033252 640881757 /nfs/dbraw/zinc/88/17/57/640881757.db2.gz LJHDQHZWIBMOEZ-SNVBAGLBSA-N 1 0 226.324 0.930 20 30 BCEDRO COC[C@@H](C)NC(=[NH2+])NC[C@@H]1CCCOC1 ZINC000170908729 640937019 /nfs/dbraw/zinc/93/70/19/640937019.db2.gz HOZBDIBRHOLYPO-ZJUUUORDSA-N 1 0 229.324 0.352 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCCOC1 ZINC000170908730 640937071 /nfs/dbraw/zinc/93/70/71/640937071.db2.gz HOZBDIBRHOLYPO-VHSXEESVSA-N 1 0 229.324 0.352 20 30 BCEDRO CC(C)NC(=O)CNC(=[NH2+])N1CCCCC1 ZINC000170908469 640937388 /nfs/dbraw/zinc/93/73/88/640937388.db2.gz JXARNQBVPOFLLM-UHFFFAOYSA-N 1 0 226.324 0.312 20 30 BCEDRO CN(C)C(=[NH2+])NCCCOCC(F)(F)F ZINC000170913524 640937826 /nfs/dbraw/zinc/93/78/26/640937826.db2.gz RHEGBDVZMNYHEW-UHFFFAOYSA-N 1 0 227.230 0.832 20 30 BCEDRO C=C[C@H](C)NS(=O)(=O)[C@H]1CCC[NH2+]C1 ZINC000229247063 640941799 /nfs/dbraw/zinc/94/17/99/640941799.db2.gz VFAGNHNHKNZQJB-IUCAKERBSA-N 1 0 218.322 0.232 20 30 BCEDRO C[NH+]=C(NCCCN1CCCC1=O)NC1CC1 ZINC000171408751 640976151 /nfs/dbraw/zinc/97/61/51/640976151.db2.gz RNVKTPUQFWFAGX-UHFFFAOYSA-N 1 0 238.335 0.326 20 30 BCEDRO N#C[C@H]1CN(CC[NH+]2CCCC2)CCO1 ZINC000230069567 641012254 /nfs/dbraw/zinc/01/22/54/641012254.db2.gz HYOQKHRSPAZNFV-NSHDSACASA-N 1 0 209.293 0.307 20 30 BCEDRO C=CCN1CC[C@H]([N@@H+](C)[C@@H]2CC[C@@H]2OC)C1=O ZINC000934109586 641075432 /nfs/dbraw/zinc/07/54/32/641075432.db2.gz AXYIUTCZUZVFII-WOPDTQHZSA-N 1 0 238.331 0.883 20 30 BCEDRO C=C(C)[C@@H](CO)[N@@H+]1CCCCCNC(=O)CC1 ZINC000934156407 641093779 /nfs/dbraw/zinc/09/37/79/641093779.db2.gz DXQAIOGVHXYVDG-GFCCVEGCSA-N 1 0 240.347 0.916 20 30 BCEDRO C=CC[C@@H]1CC[N@H+]1C[C@H](O)CN(C)CCOC ZINC000934464070 641151451 /nfs/dbraw/zinc/15/14/51/641151451.db2.gz MCLAEJNBUSOOMQ-CHWSQXEVSA-N 1 0 242.363 0.576 20 30 BCEDRO C=CC[C@H]1CC[N@H+]1CC(=O)NCCOCC ZINC000934466554 641152946 /nfs/dbraw/zinc/15/29/46/641152946.db2.gz SQUKPVXQETUOSB-NSHDSACASA-N 1 0 226.320 0.790 20 30 BCEDRO C#C[C@H]1CCCCN1C[C@@H](O)C[NH+]1CCCC1 ZINC000934511273 641177896 /nfs/dbraw/zinc/17/78/96/641177896.db2.gz LWPCBECMDIWDSM-KBPBESRZSA-N 1 0 236.359 0.931 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1C[C@H](O)COCC ZINC000934512088 641179918 /nfs/dbraw/zinc/17/99/18/641179918.db2.gz DNROIZRAVASMNM-RYUDHWBXSA-N 1 0 211.305 0.872 20 30 BCEDRO C#C[C@H]1CCCC[N@H+]1C[C@H](O)CC(C)(C)O ZINC000934519384 641186598 /nfs/dbraw/zinc/18/65/98/641186598.db2.gz QWSMKFGNUZPJIH-NWDGAFQWSA-N 1 0 225.332 0.996 20 30 BCEDRO C=CC[N@@H+](C)[C@@H]1CCN(C(=O)[C@@H](C)OC)C1 ZINC000971159100 641197588 /nfs/dbraw/zinc/19/75/88/641197588.db2.gz YEOQRFDZLOMSCB-GHMZBOCLSA-N 1 0 226.320 0.740 20 30 BCEDRO C#CCSCC[NH2+]C1CCS(=O)CC1 ZINC000231935250 641217941 /nfs/dbraw/zinc/21/79/41/641217941.db2.gz XLQGUCGBXVTBNR-UHFFFAOYSA-N 1 0 231.386 0.854 20 30 BCEDRO C=CCCC[N@@H+](CC)CCN1C(=O)CNC1=O ZINC000934646752 641232010 /nfs/dbraw/zinc/23/20/10/641232010.db2.gz UKEIIASFRFVRIF-UHFFFAOYSA-N 1 0 239.319 0.826 20 30 BCEDRO C=CCCC[N@@H+](CC)CCS(N)(=O)=O ZINC000934647357 641232480 /nfs/dbraw/zinc/23/24/80/641232480.db2.gz NLALSVWSDGCSBT-UHFFFAOYSA-N 1 0 220.338 0.563 20 30 BCEDRO C=CCCC[N@@H+](CC)CCC(=O)NC(N)=O ZINC000934649401 641235664 /nfs/dbraw/zinc/23/56/64/641235664.db2.gz UWKNFAOIGSDBPE-UHFFFAOYSA-N 1 0 227.308 0.860 20 30 BCEDRO C#CCOCC[NH2+]C1(CC(N)=O)CCCCC1 ZINC000934824777 641285078 /nfs/dbraw/zinc/28/50/78/641285078.db2.gz KOKDAXVUALJEGT-UHFFFAOYSA-N 1 0 238.331 0.804 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCC[C@@H](C)[C@H]1C ZINC000088077831 641312172 /nfs/dbraw/zinc/31/21/72/641312172.db2.gz BTMQWPVSURWSDD-GHMZBOCLSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C[C@H](CC)CC(=O)NC[C@@]1(O)CC[N@H+](C)C1 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642243490 /nfs/dbraw/zinc/24/34/90/642243490.db2.gz WQZDRJOPBWRPBP-UHFFFAOYSA-N 1 0 206.289 0.468 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cnccn2)C1 ZINC001031522601 642265370 /nfs/dbraw/zinc/26/53/70/642265370.db2.gz ZKDVBPRKKDCLHN-UHFFFAOYSA-N 1 0 232.287 0.324 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@@H]2CCCO2)C1 ZINC001031526303 642272769 /nfs/dbraw/zinc/27/27/69/642272769.db2.gz QKJNWDUQLZKIME-NSHDSACASA-N 1 0 224.304 0.399 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2cnc(C)cn2)C1 ZINC001031525373 642272846 /nfs/dbraw/zinc/27/28/46/642272846.db2.gz GDSOURGDWOLNHM-UHFFFAOYSA-N 1 0 246.314 0.633 20 30 BCEDRO C#CCC[NH+]1CC(CNC(=O)[C@@H]2C[C@@H]2C)C1 ZINC001031526778 642274874 /nfs/dbraw/zinc/27/48/74/642274874.db2.gz CLHMWPNVGCACFD-CMPLNLGQSA-N 1 0 220.316 0.714 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)[C@H]2CCCO2)C1 ZINC001031531801 642276980 /nfs/dbraw/zinc/27/69/80/642276980.db2.gz FPJOLZPYCDGANS-GFCCVEGCSA-N 1 0 238.331 0.790 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2ccon2)C1 ZINC001031561390 642305573 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C=CCS(=O)(=O)CC[NH2+]CC(C)C ZINC000308162721 642475094 /nfs/dbraw/zinc/47/50/94/642475094.db2.gz WBWDGQHOQNGRDY-UHFFFAOYSA-N 1 0 205.323 0.833 20 30 BCEDRO NC(=[NH2+])NN=C1CCOc2c(F)cc(F)cc21 ZINC000920374863 642484056 /nfs/dbraw/zinc/48/40/56/642484056.db2.gz BVHNHONYSAQSJY-UHFFFAOYSA-N 1 0 240.213 0.934 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@@H](NC(=O)c2ccc(F)cn2)C1 ZINC001021992373 642488878 /nfs/dbraw/zinc/48/88/78/642488878.db2.gz GTIIFMDCXVWMAL-PHIMTYICSA-N 1 0 247.273 0.704 20 30 BCEDRO C=C(Cl)CNC(=O)[C@@H]([NH3+])CC(F)F ZINC000308220092 642512902 /nfs/dbraw/zinc/51/29/02/642512902.db2.gz NWGZSDGZQXIVHL-YFKPBYRVSA-N 1 0 212.627 0.838 20 30 BCEDRO Cc1nc(C#N)cc(N2C[C@H]3C[NH2+]C[C@@H]3C2)n1 ZINC000308239942 642520794 /nfs/dbraw/zinc/52/07/94/642520794.db2.gz HNFRAOYXABWNPI-NXEZZACHSA-N 1 0 229.287 0.312 20 30 BCEDRO CNC(NCc1cccc(C(=O)OC)c1)=[NH+]C ZINC000305015342 642631739 /nfs/dbraw/zinc/63/17/39/642631739.db2.gz SSKPIEBBFMIWHV-UHFFFAOYSA-N 1 0 235.287 0.768 20 30 BCEDRO C=C(C)COCCNC(=[NH2+])NCCCOCC ZINC000305090727 642639331 /nfs/dbraw/zinc/63/93/31/642639331.db2.gz WQQXBHDKZPIYSL-UHFFFAOYSA-N 1 0 243.351 0.910 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ccns2)C1 ZINC001031706865 642658994 /nfs/dbraw/zinc/65/89/94/642658994.db2.gz IGNKMSXHVQNAAM-UHFFFAOYSA-N 1 0 237.328 0.991 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccns1 ZINC000960151187 642659126 /nfs/dbraw/zinc/65/91/26/642659126.db2.gz RDTIIMHNLBACMX-JZYVYDRUSA-N 1 0 249.339 0.989 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C1(C2CC2)CC1 ZINC000960451256 642666205 /nfs/dbraw/zinc/66/62/05/642666205.db2.gz IWCXBOPWONCBGB-ITGUQSILSA-N 1 0 244.338 0.856 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cnco1 ZINC000961392568 642686819 /nfs/dbraw/zinc/68/68/19/642686819.db2.gz GLZVYCNNWCMOJE-JZYVYDRUSA-N 1 0 233.271 0.521 20 30 BCEDRO C=C(C)CC[NH2+]CCS(=O)(=O)CC ZINC000233819979 642696556 /nfs/dbraw/zinc/69/65/56/642696556.db2.gz WDTWTOPFZXUGJX-UHFFFAOYSA-N 1 0 205.323 0.977 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](NC(=O)c2ncc[nH]2)C1 ZINC001007290311 642706674 /nfs/dbraw/zinc/70/66/74/642706674.db2.gz DDKXNCKUCPBQIO-NSHDSACASA-N 1 0 246.314 0.627 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCCc1ccnn1C ZINC000305843098 642708338 /nfs/dbraw/zinc/70/83/38/642708338.db2.gz AEODWZJCRIWQHT-UHFFFAOYSA-N 1 0 237.351 0.913 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CC12CC2 ZINC000961879712 642709275 /nfs/dbraw/zinc/70/92/75/642709275.db2.gz VMZYBHDILWHBQP-XQHKEYJVSA-N 1 0 244.338 0.856 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1oncc1C ZINC000962190868 642723347 /nfs/dbraw/zinc/72/33/47/642723347.db2.gz LLLLYLSJDPMNEW-URLYPYJESA-N 1 0 245.282 0.276 20 30 BCEDRO CCOCCCNC(=[NH2+])N[C@H](CC)CO ZINC000179567132 642724631 /nfs/dbraw/zinc/72/46/31/642724631.db2.gz MQHVYDIESQJJRE-SECBINFHSA-N 1 0 217.313 0.088 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(C)C ZINC000962353047 642726547 /nfs/dbraw/zinc/72/65/47/642726547.db2.gz BBRPLPMKXLTITL-URLYPYJESA-N 1 0 220.316 0.712 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](C)[C@@H](NC(=O)CC)C1 ZINC000964533636 642754348 /nfs/dbraw/zinc/75/43/48/642754348.db2.gz XOJRMRVWXIKNMD-QWRGUYRKSA-N 1 0 208.305 0.856 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(=O)COC)C1 ZINC000965960539 642774949 /nfs/dbraw/zinc/77/49/49/642774949.db2.gz AHVGDEUERWUBAQ-SECBINFHSA-N 1 0 232.711 0.576 20 30 BCEDRO C=C(Cl)C[NH2+][C@@H]1CCN(C(C)=O)C1 ZINC000965958439 642775165 /nfs/dbraw/zinc/77/51/65/642775165.db2.gz USMRGYFSJMDQGE-SECBINFHSA-N 1 0 202.685 0.949 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)C2CCOCC2)C1 ZINC000966008422 642781379 /nfs/dbraw/zinc/78/13/79/642781379.db2.gz LCWBHHSRTWXMTA-GFCCVEGCSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccncc2)C1 ZINC000966187633 642787105 /nfs/dbraw/zinc/78/71/05/642787105.db2.gz ZGSIWPLCGCZOBR-GFCCVEGCSA-N 1 0 229.283 0.519 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)C=C(C)C)C1 ZINC000966620216 642791886 /nfs/dbraw/zinc/79/18/86/642791886.db2.gz DTEIFVSEOZECOC-LLVKDONJSA-N 1 0 206.289 0.776 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cnn(C)c2)C1 ZINC000966892795 642795679 /nfs/dbraw/zinc/79/56/79/642795679.db2.gz UTJILTPELITBDK-LLVKDONJSA-N 1 0 234.303 0.410 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)[C@@H](CC)OC)C1 ZINC000967581518 642801452 /nfs/dbraw/zinc/80/14/52/642801452.db2.gz GKFOUACEVPRFLJ-GHMZBOCLSA-N 1 0 226.320 0.788 20 30 BCEDRO CCC[NH2+][C@@H]1CCN(C(=O)[C@H](C)C#N)C1 ZINC000967726999 642802604 /nfs/dbraw/zinc/80/26/04/642802604.db2.gz AHBQCULJGQTVKG-NXEZZACHSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cocn2)C1 ZINC000967709073 642802736 /nfs/dbraw/zinc/80/27/36/642802736.db2.gz VGOATKLAVIWUQU-SECBINFHSA-N 1 0 221.260 0.665 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)C2CC2)C1 ZINC000968330390 642808542 /nfs/dbraw/zinc/80/85/42/642808542.db2.gz ZHICAUUFFPWKPO-CMPLNLGQSA-N 1 0 220.316 0.856 20 30 BCEDRO C=CC[N@H+]1CC[C@H](C)[C@H](NC(=O)c2nnc[nH]2)C1 ZINC000968426223 642810628 /nfs/dbraw/zinc/81/06/28/642810628.db2.gz CPDZJYJZYUKIQY-VHSXEESVSA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H](C)n2cccc2)C1 ZINC000968434966 642811087 /nfs/dbraw/zinc/81/10/87/642811087.db2.gz ANAOSHGVBSCSBY-CHWSQXEVSA-N 1 0 245.326 0.873 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)CCn2ccnn2)C1 ZINC000968511509 642812278 /nfs/dbraw/zinc/81/22/78/642812278.db2.gz ZTDOOEBSSNNEFD-LLVKDONJSA-N 1 0 249.318 0.045 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)c2ncn(C)n2)C1 ZINC000968572395 642813915 /nfs/dbraw/zinc/81/39/15/642813915.db2.gz QUFOACMFQSFUHJ-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)[C@@H]2CC2(F)F)C1 ZINC000968602430 642816523 /nfs/dbraw/zinc/81/65/23/642816523.db2.gz KJKCPSQQCSKDIU-BDAKNGLRSA-N 1 0 228.242 0.465 20 30 BCEDRO C=CCC[C@H](O)CN1CC[N@@H+]2C[C@H](O)C[C@H]2C1 ZINC000653826825 642818083 /nfs/dbraw/zinc/81/80/83/642818083.db2.gz LPYZYANFEPCICY-RWMBFGLXSA-N 1 0 240.347 0.064 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cn2nccn2)C1 ZINC000968802245 642819156 /nfs/dbraw/zinc/81/91/56/642819156.db2.gz HHYKCCJNSXZJNA-LLVKDONJSA-N 1 0 249.318 0.045 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2cn[nH]c(=O)c2)C1 ZINC000969010288 642821590 /nfs/dbraw/zinc/82/15/90/642821590.db2.gz FWWPSCVCHYSJBE-SNVBAGLBSA-N 1 0 248.286 0.172 20 30 BCEDRO C=CC[N@@H+]1CCC[C@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001006665627 642823350 /nfs/dbraw/zinc/82/33/50/642823350.db2.gz HCPPFEMAPSFPLA-RYUDHWBXSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCC[N@H+]1CCC[C@H](NC(=O)c2cnco2)C1 ZINC001008104093 642829918 /nfs/dbraw/zinc/82/99/18/642829918.db2.gz SIKYKHOCZGZZFH-NSHDSACASA-N 1 0 247.298 0.892 20 30 BCEDRO C=C(C)C[N@@H+]1CCC[C@H](NC(=O)c2cn[nH]n2)C1 ZINC001007762567 642830155 /nfs/dbraw/zinc/83/01/55/642830155.db2.gz VSSIILSEXFKFOX-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)C1 ZINC001009950427 642845571 /nfs/dbraw/zinc/84/55/71/642845571.db2.gz CNPDSGSUDVIVGT-SNVBAGLBSA-N 1 0 232.287 0.467 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)[C@@H]2CCCO2)C1 ZINC001010036477 642848749 /nfs/dbraw/zinc/84/87/49/642848749.db2.gz FHGWQEYIRBTFKW-NEPJUHHUSA-N 1 0 236.315 0.379 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@@H](NC(=O)c2cnccn2)C1 ZINC001009969539 642850344 /nfs/dbraw/zinc/85/03/44/642850344.db2.gz SAZOQFWKXRCGPZ-LLVKDONJSA-N 1 0 246.314 0.857 20 30 BCEDRO C=C(C)C[N@@H+]1CC[C@H](NC(=O)c2cnccn2)C1 ZINC001009969544 642850379 /nfs/dbraw/zinc/85/03/79/642850379.db2.gz SAZOQFWKXRCGPZ-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2ccc[nH]2)C1 ZINC001010171185 642850799 /nfs/dbraw/zinc/85/07/99/642850799.db2.gz QVIIGHLLHAFIAN-LLVKDONJSA-N 1 0 231.299 0.842 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cc(C)no2)C1 ZINC001010164219 642852718 /nfs/dbraw/zinc/85/27/18/642852718.db2.gz DDVJEMJLUFLHPU-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2ccn[nH]2)C1 ZINC001010291450 642857690 /nfs/dbraw/zinc/85/76/90/642857690.db2.gz WRTLXJSONHFWIQ-VIFPVBQESA-N 1 0 220.276 0.400 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@H]1C ZINC000939212577 642858777 /nfs/dbraw/zinc/85/87/77/642858777.db2.gz YZQINKCHQFAYKM-PWSUYJOCSA-N 1 0 248.330 0.575 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010359319 642859041 /nfs/dbraw/zinc/85/90/41/642859041.db2.gz MUOUOEPJKHRYSM-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)Cc2cnc[nH]2)C[C@@H]1C ZINC000939212576 642859118 /nfs/dbraw/zinc/85/91/18/642859118.db2.gz YZQINKCHQFAYKM-JQWIXIFHSA-N 1 0 248.330 0.575 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)[C@@H]2CCOC2)C1 ZINC001010359322 642859631 /nfs/dbraw/zinc/85/96/31/642859631.db2.gz MUOUOEPJKHRYSM-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2cnc(C)[nH]2)C1 ZINC001010379968 642861622 /nfs/dbraw/zinc/86/16/22/642861622.db2.gz NYNYAYLUXNAIOG-JTQLQIEISA-N 1 0 234.303 0.708 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)C[C@H]2CCOC2)C1 ZINC001010408540 642862633 /nfs/dbraw/zinc/86/26/33/642862633.db2.gz PILNLPVLLAZYTA-VXGBXAGGSA-N 1 0 238.331 0.790 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2nccnc2N)C1 ZINC001010390134 642863112 /nfs/dbraw/zinc/86/31/12/642863112.db2.gz SBBRHFDKLZOGTD-SECBINFHSA-N 1 0 247.302 0.049 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)Cc2ccon2)C1 ZINC001010404203 642863607 /nfs/dbraw/zinc/86/36/07/642863607.db2.gz ZKZQRHXHKDXEBP-GFCCVEGCSA-N 1 0 247.298 0.431 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ccnnc2C)C1 ZINC001031815940 642865523 /nfs/dbraw/zinc/86/55/23/642865523.db2.gz QYVLAIWRWOOBBJ-UHFFFAOYSA-N 1 0 246.314 0.633 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2cncn2C)C1 ZINC001031818808 642869431 /nfs/dbraw/zinc/86/94/31/642869431.db2.gz CANAYBATXRBYRC-UHFFFAOYSA-N 1 0 248.330 0.658 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)[C@H]2CCCCO2)C1 ZINC001010630984 642870831 /nfs/dbraw/zinc/87/08/31/642870831.db2.gz PUYRUVBGOPVAIU-NWDGAFQWSA-N 1 0 238.331 0.932 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2coc(C)n2)C1 ZINC001010733912 642872813 /nfs/dbraw/zinc/87/28/13/642872813.db2.gz DWCZYIVMYRVDTC-LLVKDONJSA-N 1 0 247.298 0.810 20 30 BCEDRO C=CC[N@@H+]1CC[C@H](NC(=O)c2cncnc2)C1 ZINC001010709693 642873446 /nfs/dbraw/zinc/87/34/46/642873446.db2.gz UHOFDPZCLDGRFM-NSHDSACASA-N 1 0 232.287 0.467 20 30 BCEDRO C=CCC[N@H+]1CC[C@@H](NC(=O)c2ncn(C)n2)C1 ZINC001010879688 642875302 /nfs/dbraw/zinc/87/53/02/642875302.db2.gz AZOAQDVTPZYZIG-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO C=C(C)C[N@H+]1CC[C@@H](NC(=O)c2cn(C)nn2)C1 ZINC001010849461 642876051 /nfs/dbraw/zinc/87/60/51/642876051.db2.gz FVPFHYZQPUJINU-SNVBAGLBSA-N 1 0 249.318 0.195 20 30 BCEDRO [NH2+]=C(NCC1(CO)CCC1)Nc1ccccn1 ZINC000181501866 642878712 /nfs/dbraw/zinc/87/87/12/642878712.db2.gz SQHZEUOTKYWFMF-UHFFFAOYSA-N 1 0 234.303 0.971 20 30 BCEDRO C=CC[N@H+]1CC[C@H](NC(=O)c2n[nH]cc2C)C1 ZINC001014357495 642887155 /nfs/dbraw/zinc/88/71/55/642887155.db2.gz PGQJXSVYUODESY-JTQLQIEISA-N 1 0 234.303 0.708 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)c2cn[nH]n2)C1 ZINC001015063467 642895601 /nfs/dbraw/zinc/89/56/01/642895601.db2.gz WCHLXWVWUDBCDP-SECBINFHSA-N 1 0 235.291 0.185 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2nonc2C)C[C@@H]1C ZINC000939862323 642897231 /nfs/dbraw/zinc/89/72/31/642897231.db2.gz ZWRNYBGFTDGXPV-WCBMZHEXSA-N 1 0 248.286 0.061 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2[nH]cnc2C)C[C@@H]1C ZINC000939879871 642897980 /nfs/dbraw/zinc/89/79/80/642897980.db2.gz XWRRWEREHFLQLT-GXSJLCMTSA-N 1 0 246.314 0.401 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2cncn2C)C1 ZINC001015138263 642898318 /nfs/dbraw/zinc/89/83/18/642898318.db2.gz ZHKZIDUOQIUIOA-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2cncn2C)C1 ZINC001015138264 642898389 /nfs/dbraw/zinc/89/83/89/642898389.db2.gz ZHKZIDUOQIUIOA-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2c[nH]nc2C)C1 ZINC001015458947 642903343 /nfs/dbraw/zinc/90/33/43/642903343.db2.gz LVCBUBTUVIALNR-SNVBAGLBSA-N 1 0 234.303 0.708 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001015598057 642912549 /nfs/dbraw/zinc/91/25/49/642912549.db2.gz FRLGUDHIMKMDKW-LBPRGKRZSA-N 1 0 247.298 0.431 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)Cc2cnoc2)C1 ZINC001015602880 642914539 /nfs/dbraw/zinc/91/45/39/642914539.db2.gz YKGJOKZTWYFFML-LBPRGKRZSA-N 1 0 249.314 0.984 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2conc2C)C1 ZINC001015645591 642917580 /nfs/dbraw/zinc/91/75/80/642917580.db2.gz JFMKXMONRLFXOT-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C#CCN1CC[C@@H](NC(=O)C2CC[NH+](C)CC2)C1 ZINC001015649772 642919075 /nfs/dbraw/zinc/91/90/75/642919075.db2.gz ZNVVICKXYWRUGW-CYBMUJFWSA-N 1 0 249.358 0.152 20 30 BCEDRO C#CCN1CC[C@@H](NC(=O)c2nc(C)c[nH]2)C1 ZINC001015819047 642928855 /nfs/dbraw/zinc/92/88/55/642928855.db2.gz BATOXWZYECSARI-SNVBAGLBSA-N 1 0 232.287 0.155 20 30 BCEDRO C=CCC[N@@H+]1CC[C@H](NC(=O)c2ncccn2)C1 ZINC001015886319 642933228 /nfs/dbraw/zinc/93/32/28/642933228.db2.gz ZJNRCEOWTXWAMH-NSHDSACASA-N 1 0 246.314 0.857 20 30 BCEDRO C=CCC[N@H+]1CC[C@H](NC(=O)c2cnn(C)n2)C1 ZINC001015843459 642936918 /nfs/dbraw/zinc/93/69/18/642936918.db2.gz ZUVRJPYJRFQRFV-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2nccs2)C1 ZINC001015891241 642939417 /nfs/dbraw/zinc/93/94/17/642939417.db2.gz FVLROINJJUAVIT-SNVBAGLBSA-N 1 0 249.339 0.971 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)Cc2cncn2C)C1 ZINC001015998324 642939580 /nfs/dbraw/zinc/93/95/80/642939580.db2.gz OKIVWLJPQFJFNK-LLVKDONJSA-N 1 0 248.330 0.339 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](NC(=O)c2cn(CC)nn2)C1 ZINC001015916590 642944538 /nfs/dbraw/zinc/94/45/38/642944538.db2.gz MXUXHJRXUWHYNH-SNVBAGLBSA-N 1 0 249.318 0.288 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H](NC(=O)c2[nH]cnc2C)C1 ZINC001016418660 642957394 /nfs/dbraw/zinc/95/73/94/642957394.db2.gz AYPZEJRROJRANI-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C(C)(F)F)C1 ZINC001018402200 642987256 /nfs/dbraw/zinc/98/72/56/642987256.db2.gz BHTIIRIFFNEDFA-QMMMGPOBSA-N 1 0 216.231 0.465 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C=C(C)C)C1 ZINC001018450502 642991538 /nfs/dbraw/zinc/99/15/38/642991538.db2.gz DTEIFVSEOZECOC-NSHDSACASA-N 1 0 206.289 0.776 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(C)no2)C1 ZINC001018493814 642992522 /nfs/dbraw/zinc/99/25/22/642992522.db2.gz CUNGPOYKWGOISC-JTQLQIEISA-N 1 0 233.271 0.420 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2cc(CC)n[nH]2)C1 ZINC001018529748 642996020 /nfs/dbraw/zinc/99/60/20/642996020.db2.gz HPWWBVSOFLNOFA-NSHDSACASA-N 1 0 248.330 0.962 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2=COCCC2)C1 ZINC001018599678 642999173 /nfs/dbraw/zinc/99/91/73/642999173.db2.gz FVVYYECTHFPCOP-LBPRGKRZSA-N 1 0 234.299 0.504 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)CC(F)(F)F)C1 ZINC001018589996 643000928 /nfs/dbraw/zinc/00/09/28/643000928.db2.gz ROZYRNIMGZUZQJ-QMMMGPOBSA-N 1 0 234.221 0.763 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H]2CCOC2)C1 ZINC001018597193 643001149 /nfs/dbraw/zinc/00/11/49/643001149.db2.gz CQZJNHSOXBCHFJ-RYUDHWBXSA-N 1 0 238.331 0.790 20 30 BCEDRO CC(C)[NH2+][C@H]1CCN(C(=O)[C@@H](C)C#N)C1 ZINC001018618820 643002760 /nfs/dbraw/zinc/00/27/60/643002760.db2.gz QLYKYVNPYFWXAA-UWVGGRQHSA-N 1 0 209.293 0.745 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)Cc2cc[nH]n2)C1 ZINC001018659317 643004617 /nfs/dbraw/zinc/00/46/17/643004617.db2.gz SKGRZBVCGABELH-NSHDSACASA-N 1 0 234.303 0.329 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)C[C@H]2CCOC2)C1 ZINC001018657368 643005406 /nfs/dbraw/zinc/00/54/06/643005406.db2.gz WFUNPUMTWGWKQH-NEPJUHHUSA-N 1 0 238.331 0.790 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)Cc2ccc(C)o2)C1 ZINC001018733490 643008045 /nfs/dbraw/zinc/00/80/45/643008045.db2.gz VNXVCRHKQIFUKI-LBPRGKRZSA-N 1 0 246.310 0.954 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@H]2CCCCO2)C1 ZINC001018718930 643008179 /nfs/dbraw/zinc/00/81/79/643008179.db2.gz MKCZRMFPYWJMLZ-NWDGAFQWSA-N 1 0 236.315 0.379 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)[C@H](O)C(C)C)C1 ZINC001018801145 643011003 /nfs/dbraw/zinc/01/10/03/643011003.db2.gz YMLDKWXWCLLETC-NWDGAFQWSA-N 1 0 240.347 0.770 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)c2n[nH]cc2C)C1 ZINC001018822410 643012717 /nfs/dbraw/zinc/01/27/17/643012717.db2.gz MUHIHMCDIMPLQO-JTQLQIEISA-N 1 0 234.303 0.708 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCN(C(=O)Cn2nccn2)C1 ZINC001018914363 643015924 /nfs/dbraw/zinc/01/59/24/643015924.db2.gz HHYKCCJNSXZJNA-NSHDSACASA-N 1 0 249.318 0.045 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCc2ccon2)C1 ZINC001019147219 643018738 /nfs/dbraw/zinc/01/87/38/643018738.db2.gz VWWVLUHHNSOQPY-LBPRGKRZSA-N 1 0 249.314 0.984 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cc(F)c[nH]2)C1 ZINC001019160745 643021878 /nfs/dbraw/zinc/02/18/78/643021878.db2.gz PFWQKAUHWBRRCB-JTQLQIEISA-N 1 0 235.262 0.591 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)[C@@H](F)C(C)C)C1 ZINC001019257208 643025572 /nfs/dbraw/zinc/02/55/72/643025572.db2.gz MULSQQQYHNSTFS-QWRGUYRKSA-N 1 0 226.295 0.804 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2conc2C)C1 ZINC001019318334 643027923 /nfs/dbraw/zinc/02/79/23/643027923.db2.gz RDHRVQXLKNFRJQ-JTQLQIEISA-N 1 0 233.271 0.420 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC001031908585 643029226 /nfs/dbraw/zinc/02/92/26/643029226.db2.gz WWRZVSLEVHWXDD-GDNZZTSVSA-N 1 0 236.315 0.113 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cnoc2CC)C1 ZINC001019451517 643032911 /nfs/dbraw/zinc/03/29/11/643032911.db2.gz FZPZRFBUYUCZQW-JTQLQIEISA-N 1 0 247.298 0.674 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ccnc(C)c2)C1 ZINC001019539322 643036049 /nfs/dbraw/zinc/03/60/49/643036049.db2.gz SVXVCCLZJLMRSQ-ZDUSSCGKSA-N 1 0 243.310 0.827 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001019980261 643050328 /nfs/dbraw/zinc/05/03/28/643050328.db2.gz LQWYKILIHIXWGS-HAQNSBGRSA-N 1 0 248.330 0.847 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2ccon2)C1 ZINC001020030580 643051993 /nfs/dbraw/zinc/05/19/93/643051993.db2.gz TXGSWWGDOKQCTC-XYPYZODXSA-N 1 0 233.271 0.087 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2ccnn2C)C1 ZINC001020019254 643052065 /nfs/dbraw/zinc/05/20/65/643052065.db2.gz WYYCZQSSLZOTNQ-MGCOHNPYSA-N 1 0 234.303 0.457 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cccc(=O)[nH]2)C1 ZINC001020048433 643054540 /nfs/dbraw/zinc/05/45/40/643054540.db2.gz RLQMEXYTQQCOBE-MGCOHNPYSA-N 1 0 245.282 0.271 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C2CC(C)C2)C1 ZINC001020060984 643054845 /nfs/dbraw/zinc/05/48/45/643054845.db2.gz PGPXLHGVDZTFRM-LOTOBDBSSA-N 1 0 220.316 0.903 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H](C)C2CC2)C1 ZINC001020050212 643054894 /nfs/dbraw/zinc/05/48/94/643054894.db2.gz RFLSYHYVXLGSER-YUSALJHKSA-N 1 0 220.316 0.903 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)[C@H]2CC2(C)C)C1 ZINC001020080419 643056744 /nfs/dbraw/zinc/05/67/44/643056744.db2.gz WFYKJJFRNDEMQK-GMTAPVOTSA-N 1 0 220.316 0.903 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)Cc2cc(C)[nH]n2)C1 ZINC001020065570 643056860 /nfs/dbraw/zinc/05/68/60/643056860.db2.gz HHDOJORICKIRNX-XYPYZODXSA-N 1 0 246.314 0.131 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)Cc2ccn(C)n2)C1 ZINC001020142433 643061248 /nfs/dbraw/zinc/06/12/48/643061248.db2.gz AZHLLSJDDIFTER-HAQNSBGRSA-N 1 0 248.330 0.385 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2ccns2)C1 ZINC001020206568 643063655 /nfs/dbraw/zinc/06/36/55/643063655.db2.gz WEROJRJEXFRFIU-KYZUINATSA-N 1 0 235.312 0.627 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2onc(C)c2C)C1 ZINC001020273950 643065535 /nfs/dbraw/zinc/06/55/35/643065535.db2.gz POGYNJOWAZAZIK-XYPYZODXSA-N 1 0 247.298 0.775 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1ccc(F)nc1 ZINC000189177933 643076278 /nfs/dbraw/zinc/07/62/78/643076278.db2.gz LZKCTKIGJXDHBP-UHFFFAOYSA-N 1 0 223.251 0.613 20 30 BCEDRO COC(=O)C1CC[NH+](CCO[C@H](C)C#N)CC1 ZINC000304224989 643089239 /nfs/dbraw/zinc/08/92/39/643089239.db2.gz ITSMWZSWIBLEDQ-SNVBAGLBSA-N 1 0 240.303 0.800 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2conc2C)C1 ZINC001031945710 643091210 /nfs/dbraw/zinc/09/12/10/643091210.db2.gz RFXLPLJFJPOOJG-UHFFFAOYSA-N 1 0 235.287 0.831 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2n[nH]cc2F)C1 ZINC001031954490 643097470 /nfs/dbraw/zinc/09/74/70/643097470.db2.gz BTHTZROYWPCVCK-UHFFFAOYSA-N 1 0 238.266 0.396 20 30 BCEDRO C#CCC[N@@H+]1CC[C@H](NC(C)=O)[C@H](C)C1 ZINC000941700410 643119669 /nfs/dbraw/zinc/11/96/69/643119669.db2.gz PMOUONONZAXYCL-PWSUYJOCSA-N 1 0 208.305 0.856 20 30 BCEDRO C=CC[NH+]1CC([C@H](C)NC(=O)[C@@H]2CCCO2)C1 ZINC000969255017 643120514 /nfs/dbraw/zinc/12/05/14/643120514.db2.gz XLISVGLTPXEQFE-JQWIXIFHSA-N 1 0 238.331 0.788 20 30 BCEDRO C#CC[N@@H+]1CC[C@@H](NC(=O)C2CC2)[C@@H](C)C1 ZINC000941710390 643125923 /nfs/dbraw/zinc/12/59/23/643125923.db2.gz RNPVMRGIOAWPMK-CMPLNLGQSA-N 1 0 220.316 0.856 20 30 BCEDRO N#Cc1ccc([C@@H](O)C[NH2+]C[C@H](O)C2CC2)cc1 ZINC000071304681 643128547 /nfs/dbraw/zinc/12/85/47/643128547.db2.gz BHZWJZAVIJKUHT-KBPBESRZSA-N 1 0 246.310 0.952 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2cn[nH]c2)[C@H](C)C1 ZINC000941849948 643145741 /nfs/dbraw/zinc/14/57/41/643145741.db2.gz KKXPETCWQMYCLE-PWSUYJOCSA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2ccon2)[C@@H](C)C1 ZINC000941851292 643147565 /nfs/dbraw/zinc/14/75/65/643147565.db2.gz SXPMLGKPDHFDCF-QWRGUYRKSA-N 1 0 247.298 0.748 20 30 BCEDRO C=C(Br)CNC(=O)[C@@H]1C[C@H]2C[C@H]2[NH2+]1 ZINC000306527761 643175641 /nfs/dbraw/zinc/17/56/41/643175641.db2.gz YPIBXGILSURQCK-PRJMDXOYSA-N 1 0 245.120 0.762 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2cc[nH]c(=O)c2)C1 ZINC001010495733 643179704 /nfs/dbraw/zinc/17/97/04/643179704.db2.gz JXZLOLIJJJPWPX-LLVKDONJSA-N 1 0 247.298 0.777 20 30 BCEDRO CC[NH+]1CC([C@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000969505770 643183291 /nfs/dbraw/zinc/18/32/91/643183291.db2.gz FSEUKKAKNDSUGQ-VIFPVBQESA-N 1 0 246.314 0.956 20 30 BCEDRO CC[NH+]1CC([C@@H](C)NC(=O)c2ccc(C#N)[nH]2)C1 ZINC000969505769 643183382 /nfs/dbraw/zinc/18/33/82/643183382.db2.gz FSEUKKAKNDSUGQ-SECBINFHSA-N 1 0 246.314 0.956 20 30 BCEDRO C#CC[N@@H+]1CC[C@H](NC(=O)c2cnco2)[C@H](C)C1 ZINC000942540619 643196131 /nfs/dbraw/zinc/19/61/31/643196131.db2.gz NDHBNWJDCVDYEO-MNOVXSKESA-N 1 0 247.298 0.748 20 30 BCEDRO C=CC(C)(C)C(=O)N1CC[C@@H]([NH2+]C[C@@H](C)O)C1 ZINC000969585997 643196586 /nfs/dbraw/zinc/19/65/86/643196586.db2.gz DKTZLKYJFWRUHY-GHMZBOCLSA-N 1 0 240.347 0.770 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]1[C@@H]2C[NH2+]C[C@@H]21 ZINC000306629464 643203826 /nfs/dbraw/zinc/20/38/26/643203826.db2.gz LHATYLXTFSWJCR-JIGDXULJSA-N 1 0 200.669 0.321 20 30 BCEDRO C=C(C)C[NH2+][C@@H]1CCN(C(=O)Cc2cnoc2)C1 ZINC000969679896 643210896 /nfs/dbraw/zinc/21/08/96/643210896.db2.gz VHFYJEBVSPLYCH-GFCCVEGCSA-N 1 0 249.314 0.984 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)COC)CC1(C)C ZINC000995276723 643212851 /nfs/dbraw/zinc/21/28/51/643212851.db2.gz FUZXCZXWHJZSJS-SNVBAGLBSA-N 1 0 224.304 0.093 20 30 BCEDRO [NH2+]=C(NCC(F)(F)CO)N1CCCCCC1 ZINC000184822952 643243007 /nfs/dbraw/zinc/24/30/07/643243007.db2.gz KNVLSVISTMUMKW-UHFFFAOYSA-N 1 0 235.278 0.805 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2nocc2C)C1 ZINC001032107439 643262016 /nfs/dbraw/zinc/26/20/16/643262016.db2.gz IGUWVMQTRWHCTL-UHFFFAOYSA-N 1 0 235.287 0.831 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2[nH]c(C)nc2C)C1 ZINC000969995505 643263206 /nfs/dbraw/zinc/26/32/06/643263206.db2.gz NCLHHCUODYEAJJ-LLVKDONJSA-N 1 0 246.314 0.464 20 30 BCEDRO C=C(C)C[NH+]1CC(CNC(=O)c2ccn(C)n2)C1 ZINC001032184139 643280180 /nfs/dbraw/zinc/28/01/80/643280180.db2.gz BTKGSYYMQFYTJI-UHFFFAOYSA-N 1 0 248.330 0.658 20 30 BCEDRO C=CC[NH+]1CC(CNC(=O)c2ccn(C)n2)C1 ZINC001032187541 643286233 /nfs/dbraw/zinc/28/62/33/643286233.db2.gz XMXNPGPCQPTJFM-UHFFFAOYSA-N 1 0 234.303 0.268 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnon2)C1 ZINC001020786041 643296089 /nfs/dbraw/zinc/29/60/89/643296089.db2.gz NJZJWCVEJBAUDG-ZKCHVHJHSA-N 1 0 222.248 0.106 20 30 BCEDRO CC[N@H+](CCO[C@@H](C)C#N)CCC(N)=O ZINC000932478372 643301660 /nfs/dbraw/zinc/30/16/60/643301660.db2.gz DHMSVXCGUQIZPA-VIFPVBQESA-N 1 0 213.281 0.112 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)[C@@H]2CCO[C@@H]2C)C1 ZINC001020824852 643309792 /nfs/dbraw/zinc/30/97/92/643309792.db2.gz HVILINQDHVAPSA-DDHJBXDOSA-N 1 0 238.331 0.834 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cc[nH]n2)CC1(C)C ZINC000995507107 643316078 /nfs/dbraw/zinc/31/60/78/643316078.db2.gz UOIIBIIHKWBKFT-NSHDSACASA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2cnoc2CC)C1 ZINC000970136720 643324439 /nfs/dbraw/zinc/32/44/39/643324439.db2.gz FZPZRFBUYUCZQW-SNVBAGLBSA-N 1 0 247.298 0.674 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2cn(CC)cn2)C1 ZINC001020936638 643343908 /nfs/dbraw/zinc/34/39/08/643343908.db2.gz IHIFJQGOGPPCTK-XYPYZODXSA-N 1 0 246.314 0.387 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)c2c[nH]cc2C)C1 ZINC001021049449 643394500 /nfs/dbraw/zinc/39/45/00/643394500.db2.gz NPATZOBTMDASLS-XYPYZODXSA-N 1 0 231.299 0.807 20 30 BCEDRO C=CC[NH+]1CC([C@@H](C)NC(=O)c2cnco2)C1 ZINC000970229559 643401945 /nfs/dbraw/zinc/40/19/45/643401945.db2.gz VIYIIHBQMSHFIQ-SECBINFHSA-N 1 0 235.287 0.911 20 30 BCEDRO C=CCNC(N[C@@H]1CCN(C2CC2)C1)=[NH+]C ZINC000083094135 643409753 /nfs/dbraw/zinc/40/97/53/643409753.db2.gz JMQWTHCAXWAXFB-SNVBAGLBSA-N 1 0 222.336 0.574 20 30 BCEDRO C[NH+]=C(NCC1CC1)N[C@H]1CCN(C2CC2)C1 ZINC000083093870 643409791 /nfs/dbraw/zinc/40/97/91/643409791.db2.gz MLKXKYDPUWDTBP-NSHDSACASA-N 1 0 236.363 0.798 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2ncccn2)C1 ZINC000970313825 643411867 /nfs/dbraw/zinc/41/18/67/643411867.db2.gz MMVNOPREOUAQGI-SNVBAGLBSA-N 1 0 232.287 0.467 20 30 BCEDRO C#C[C@H](C)NC(=O)NC[C@H]1CC[N@@H+](C2CC2)C1 ZINC000185961746 643415875 /nfs/dbraw/zinc/41/58/75/643415875.db2.gz CEFUGXLGGUYTSB-WDEREUQCSA-N 1 0 235.331 0.792 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@H]1CCCO1 ZINC001032266928 643416655 /nfs/dbraw/zinc/41/66/55/643416655.db2.gz YDLHPDRFOZLBQG-RWMBFGLXSA-N 1 0 248.326 0.474 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cc2ncc[nH]2)C1 ZINC000970341558 643416932 /nfs/dbraw/zinc/41/69/32/643416932.db2.gz PXTJFXWQCFVBAZ-SNVBAGLBSA-N 1 0 234.303 0.329 20 30 BCEDRO C#C[C@H](C)NC(=O)NCC[N@@H+](C)C(C)C ZINC000185975957 643418227 /nfs/dbraw/zinc/41/82/27/643418227.db2.gz ZXFQDLLJYUBSIL-JTQLQIEISA-N 1 0 211.309 0.648 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@H]1C[C@H](C)[N@@H+](C2CC2)C1 ZINC000185983857 643420683 /nfs/dbraw/zinc/42/06/83/643420683.db2.gz CEBZKFPPCADEOY-DCAQKATOSA-N 1 0 235.331 0.933 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2nocc2C)C1 ZINC000970423035 643428735 /nfs/dbraw/zinc/42/87/35/643428735.db2.gz NBLTWAGYTFEOBH-SNVBAGLBSA-N 1 0 233.271 0.420 20 30 BCEDRO C=C(C)C[NH+]1CC([C@H](C)NC(=O)c2nnc[nH]2)C1 ZINC000970608004 643482788 /nfs/dbraw/zinc/48/27/88/643482788.db2.gz FBVVPQYXFQWBEA-VIFPVBQESA-N 1 0 249.318 0.431 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ccc(=O)[nH]c2)C1 ZINC000970627117 643488685 /nfs/dbraw/zinc/48/86/85/643488685.db2.gz UKHHPWMWHZYYEY-LLVKDONJSA-N 1 0 245.282 0.225 20 30 BCEDRO CCC[N@@H+]1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032312077 643490241 /nfs/dbraw/zinc/49/02/41/643490241.db2.gz CMRQUPHFRBTZIF-DCAQKATOSA-N 1 0 221.304 0.841 20 30 BCEDRO COCCN1C[C@@H]2C[C@H]1CN2C(=O)[C@@H](C)C#N ZINC001032312431 643491501 /nfs/dbraw/zinc/49/15/01/643491501.db2.gz KWTQFNWXSJDVDH-DCAQKATOSA-N 1 0 237.303 0.078 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H](NC(=O)Cc2nc[nH]n2)C1 ZINC001015969609 643526555 /nfs/dbraw/zinc/52/65/55/643526555.db2.gz CMDQPFNRDNMEBM-SNVBAGLBSA-N 1 0 249.318 0.114 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)Cn2ccnc2)C1 ZINC000970857781 643577694 /nfs/dbraw/zinc/57/76/94/643577694.db2.gz IPBVRVOYXVKMBW-LLVKDONJSA-N 1 0 234.303 0.260 20 30 BCEDRO C=CC[NH2+]C1CCN(C(=O)c2ncccn2)CC1 ZINC000997106187 643580357 /nfs/dbraw/zinc/58/03/57/643580357.db2.gz DMNWWGXBUDIPNQ-UHFFFAOYSA-N 1 0 246.314 0.857 20 30 BCEDRO CC(C)C(=O)NCCNC(=[NH2+])NC(C)(C)C ZINC000303783832 643585721 /nfs/dbraw/zinc/58/57/21/643585721.db2.gz ONIVZFFHFPJZJD-UHFFFAOYSA-N 1 0 228.340 0.461 20 30 BCEDRO C#CC[N@@H+](C)[C@H]1CCN(C(=O)C(F)F)C1 ZINC000970925757 643619101 /nfs/dbraw/zinc/61/91/01/643619101.db2.gz WTFANPUGTMGIPN-QMMMGPOBSA-N 1 0 216.231 0.417 20 30 BCEDRO [NH2+]=C(NCC1(CO)COC1)N1CCCCCC1 ZINC000160563541 643686409 /nfs/dbraw/zinc/68/64/09/643686409.db2.gz PUTORVYJIVBTBT-UHFFFAOYSA-N 1 0 241.335 0.186 20 30 BCEDRO CCCCCCNC(=[NH2+])NCC1(CO)COC1 ZINC000160569901 643687194 /nfs/dbraw/zinc/68/71/94/643687194.db2.gz BCIQEDCOQDKLCO-UHFFFAOYSA-N 1 0 243.351 0.480 20 30 BCEDRO C[C@H]([NH2+]C[C@@H](O)CO)c1cccc(C#N)c1 ZINC000085246750 643698561 /nfs/dbraw/zinc/69/85/61/643698561.db2.gz RGSFAYCVVHDQAZ-JOYOIKCWSA-N 1 0 220.272 0.562 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccncc2)C1 ZINC000998372804 643703238 /nfs/dbraw/zinc/70/32/38/643703238.db2.gz UNOXKWKGQGTMIN-CYBMUJFWSA-N 1 0 243.310 0.909 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)c2cnn(C)c2)C1 ZINC000998428940 643704842 /nfs/dbraw/zinc/70/48/42/643704842.db2.gz IMUAWIABZJXVKA-UHFFFAOYSA-N 1 0 248.330 0.799 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)Cc2ccon2)C1 ZINC000998557329 643712385 /nfs/dbraw/zinc/71/23/85/643712385.db2.gz UBVLXRRCTKAQEE-UHFFFAOYSA-N 1 0 249.314 0.982 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)c2ccon2)C1 ZINC000998607788 643714175 /nfs/dbraw/zinc/71/41/75/643714175.db2.gz QGJDALLPDWWNND-JTQLQIEISA-N 1 0 233.271 0.502 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H](C)OC)C1 ZINC000998647251 643716547 /nfs/dbraw/zinc/71/65/47/643716547.db2.gz KVEVSIOBRWHOHI-WDEREUQCSA-N 1 0 224.304 0.235 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)C2=COCCC2)C1 ZINC000998722856 643719598 /nfs/dbraw/zinc/71/95/98/643719598.db2.gz PRFCBFPFHCIKTM-CYBMUJFWSA-N 1 0 248.326 0.895 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)c2ccnn2C)C1 ZINC000998725093 643719750 /nfs/dbraw/zinc/71/97/50/643719750.db2.gz XZDGFDHRVSKBGD-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO CC[NH2+][C@H]1CCCN(C(=O)[C@H](C)C#N)C1 ZINC000998753289 643721284 /nfs/dbraw/zinc/72/12/84/643721284.db2.gz KSQZVBRIWDWPBU-ZJUUUORDSA-N 1 0 209.293 0.747 20 30 BCEDRO C=CC[NH2+][C@@H]1CCCN(C(=O)Cc2cc[nH]n2)C1 ZINC000998794599 643722425 /nfs/dbraw/zinc/72/24/25/643722425.db2.gz UPPYSHCMIKHZFB-GFCCVEGCSA-N 1 0 248.330 0.719 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)CC(C)(C)O)C1 ZINC000999050697 643728051 /nfs/dbraw/zinc/72/80/51/643728051.db2.gz FPKWWPOMUSOPQW-NSHDSACASA-N 1 0 238.331 0.361 20 30 BCEDRO C#CC[NH2+][C@H]1CCCN(C(=O)[C@H](O)C(C)C)C1 ZINC000999076756 643729055 /nfs/dbraw/zinc/72/90/55/643729055.db2.gz YZNOWWCEHJIXLJ-NWDGAFQWSA-N 1 0 238.331 0.217 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)c2cnnn2C)C1 ZINC000999066341 643730554 /nfs/dbraw/zinc/73/05/54/643730554.db2.gz PABNUUZBKRESMZ-JTQLQIEISA-N 1 0 249.318 0.195 20 30 BCEDRO C#CCN(C)C(=O)NC[C@@H]1CC[N@H+]1CC ZINC000890061435 643737794 /nfs/dbraw/zinc/73/77/94/643737794.db2.gz HSXYYPHNLJKGHK-JTQLQIEISA-N 1 0 209.293 0.355 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2nc(C)c[nH]2)C1 ZINC000999526998 643737932 /nfs/dbraw/zinc/73/79/32/643737932.db2.gz QPIQQAPWQMTTJF-UHFFFAOYSA-N 1 0 246.314 0.544 20 30 BCEDRO C=CC[NH2+]C1CC(N(C)C(=O)Cc2nnc[nH]2)C1 ZINC000999661734 643740085 /nfs/dbraw/zinc/74/00/85/643740085.db2.gz WEEVBGJASMPJSD-UHFFFAOYSA-N 1 0 249.318 0.112 20 30 BCEDRO C#CC[NH2+][C@@H]1CCCN(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000999946371 643746148 /nfs/dbraw/zinc/74/61/48/643746148.db2.gz ATHJCRJGGFGDIN-NDBYEHHHSA-N 1 0 248.326 0.093 20 30 BCEDRO C=C(C)C[NH2+][C@H]1CCCN(C(=O)c2nc[nH]n2)C1 ZINC001000490345 643785766 /nfs/dbraw/zinc/78/57/66/643785766.db2.gz NATUVSVHZPJMCS-JTQLQIEISA-N 1 0 249.318 0.575 20 30 BCEDRO C=CC[NH2+][C@H]1CCCN(C(=O)Cn2ccnc2)C1 ZINC001001057114 643801733 /nfs/dbraw/zinc/80/17/33/643801733.db2.gz UKAGKPAHFCCEGX-LBPRGKRZSA-N 1 0 248.330 0.650 20 30 BCEDRO C=CC[C@@H](CO)[NH2+]Cc1cc(C)nn1C ZINC000320734994 643819364 /nfs/dbraw/zinc/81/93/64/643819364.db2.gz LBUGEINJGYNGLK-JTQLQIEISA-N 1 0 209.293 0.755 20 30 BCEDRO C[NH+](C)C1(CNC(=O)NCCCC#N)CC1 ZINC000921905751 643823140 /nfs/dbraw/zinc/82/31/40/643823140.db2.gz HDWSQIWRQDMAMG-UHFFFAOYSA-N 1 0 224.308 0.684 20 30 BCEDRO C=CCC[C@@H](CO)[NH2+]C1CCN(OC)CC1 ZINC000320744330 643825408 /nfs/dbraw/zinc/82/54/08/643825408.db2.gz MOTREWSNAJWNKI-LBPRGKRZSA-N 1 0 228.336 0.929 20 30 BCEDRO C#CCN(C1CC[NH+](C)CC1)S(=O)(=O)CC ZINC000922022810 643847150 /nfs/dbraw/zinc/84/71/50/643847150.db2.gz AYMWIULHXRJUSW-UHFFFAOYSA-N 1 0 244.360 0.366 20 30 BCEDRO C#CCN(C(=O)CC)C1CC[NH+](C)CC1 ZINC000922025866 643848344 /nfs/dbraw/zinc/84/83/44/643848344.db2.gz PUGSRWFFFPKNSQ-UHFFFAOYSA-N 1 0 208.305 0.952 20 30 BCEDRO CC1([NH+]2CCC2)CCN(C(=O)CC#N)CC1 ZINC000922171079 643889522 /nfs/dbraw/zinc/88/95/22/643889522.db2.gz HIEUKVQONVHEFN-UHFFFAOYSA-N 1 0 221.304 0.987 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cnn(CCF)c1 ZINC000922218031 643906358 /nfs/dbraw/zinc/90/63/58/643906358.db2.gz ZNYQMPKNIZIMSC-LBPRGKRZSA-N 1 0 239.294 0.717 20 30 BCEDRO C=C[C@H](CO)[NH2+]Cc1cnn(CCF)c1 ZINC000922264049 643935300 /nfs/dbraw/zinc/93/53/00/643935300.db2.gz NNKSGLNHARXVCQ-SNVBAGLBSA-N 1 0 213.256 0.489 20 30 BCEDRO N#Cc1cc(C[NH2+][C@H]2CCOC[C@H]2O)cs1 ZINC000922293749 643958080 /nfs/dbraw/zinc/95/80/80/643958080.db2.gz HSCAKDSLJQRNMD-WDEREUQCSA-N 1 0 238.312 0.859 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)NCC1(CC#N)CC1 ZINC000922303614 643962717 /nfs/dbraw/zinc/96/27/17/643962717.db2.gz KTPUGIYMQIWGNO-JTQLQIEISA-N 1 0 236.319 0.684 20 30 BCEDRO C[C@H](O)[C@@H](O)C[NH2+]Cc1csc(C#N)c1 ZINC000922308567 643965153 /nfs/dbraw/zinc/96/51/53/643965153.db2.gz FEWCVWLNROCKBB-XVKPBYJWSA-N 1 0 226.301 0.451 20 30 BCEDRO C#C[C@H](CC)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000922526823 644014294 /nfs/dbraw/zinc/01/42/94/644014294.db2.gz UXNIRQRFXKQRNJ-ZJUUUORDSA-N 1 0 209.293 0.402 20 30 BCEDRO C#CC[C@@H]1NC(=O)N([C@@H]2CC[N@@H+](CCC)C2)C1=O ZINC000925360312 644024916 /nfs/dbraw/zinc/02/49/16/644024916.db2.gz VYBSJFJXCMNUNS-MNOVXSKESA-N 1 0 249.314 0.414 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1NC(=O)NC[C@H]1CC[N@H+]1C ZINC000922720624 644076093 /nfs/dbraw/zinc/07/60/93/644076093.db2.gz ZOFBTJVKDUJFEA-MXWKQRLJSA-N 1 0 239.319 0.333 20 30 BCEDRO C[C@@H](CNC(=O)N1CCC[C@H](C#N)C1)[NH+](C)C ZINC000922743602 644086401 /nfs/dbraw/zinc/08/64/01/644086401.db2.gz RFOCISQSKCOKGI-WDEREUQCSA-N 1 0 238.335 0.882 20 30 BCEDRO C=CCONC(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000922767672 644090649 /nfs/dbraw/zinc/09/06/49/644090649.db2.gz VMTLQWZOEODHRS-RKDXNWHRSA-N 1 0 213.281 0.496 20 30 BCEDRO C=C(CC)CNC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000922779023 644094660 /nfs/dbraw/zinc/09/46/60/644094660.db2.gz NWMGBBABTLKULV-JTQLQIEISA-N 1 0 211.309 0.956 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)Nc1cc(OC)nn1C ZINC000922816052 644105184 /nfs/dbraw/zinc/10/51/84/644105184.db2.gz MRKGBVKPKTXIJH-UHFFFAOYSA-N 1 0 238.291 0.485 20 30 BCEDRO COC[C@H](C)NC(=[NH2+])NC[C@H]1CCC(C)(C)O1 ZINC000186888913 644152795 /nfs/dbraw/zinc/15/27/95/644152795.db2.gz LVQUCLYNEDUVDR-VHSXEESVSA-N 1 0 243.351 0.883 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCC(=O)N(C)CC ZINC000186889253 644153692 /nfs/dbraw/zinc/15/36/92/644153692.db2.gz PPECDMHQCWLLRD-QMMMGPOBSA-N 1 0 214.313 0.168 20 30 BCEDRO CCN(C)C(=O)CNC(=[NH2+])NCC1CCC1 ZINC000187053078 644202959 /nfs/dbraw/zinc/20/29/59/644202959.db2.gz FQHPJIODCPDZPF-UHFFFAOYSA-N 1 0 226.324 0.169 20 30 BCEDRO C#CC1(F)CN(C(=O)NCC2([NH+](C)C)CC2)C1 ZINC000922982659 644209653 /nfs/dbraw/zinc/20/96/53/644209653.db2.gz DCKXARHWRXVNTE-UHFFFAOYSA-N 1 0 239.294 0.447 20 30 BCEDRO C=C(C)CNC(=O)NCC1([NH+](C)C)CC1 ZINC000922999342 644224210 /nfs/dbraw/zinc/22/42/10/644224210.db2.gz AZORUGVBCQNQSM-UHFFFAOYSA-N 1 0 211.309 0.956 20 30 BCEDRO C#CCCNC(=O)NCC1([NH+](C)C)CC1 ZINC000923006344 644226246 /nfs/dbraw/zinc/22/62/46/644226246.db2.gz FWSIXZBFLOTEKO-UHFFFAOYSA-N 1 0 209.293 0.403 20 30 BCEDRO C[C@H](C#N)CN(C)C(=O)NCC1([NH+](C)C)CC1 ZINC000923012300 644232394 /nfs/dbraw/zinc/23/23/94/644232394.db2.gz DSXLMYKCNKOMMM-SNVBAGLBSA-N 1 0 238.335 0.882 20 30 BCEDRO C#CCN(CC#CC)C(=O)NCC1([NH+](C)C)CC1 ZINC000923008675 644232988 /nfs/dbraw/zinc/23/29/88/644232988.db2.gz VKUWGVLSXGNTLL-UHFFFAOYSA-N 1 0 247.342 0.749 20 30 BCEDRO C[C@@H](C#N)CN(C)C(=O)NCC1([NH+](C)C)CC1 ZINC000923012298 644233293 /nfs/dbraw/zinc/23/32/93/644233293.db2.gz DSXLMYKCNKOMMM-JTQLQIEISA-N 1 0 238.335 0.882 20 30 BCEDRO C=C[C@H](C)ONC(=O)NCC1([NH+](C)C)CC1 ZINC000923086228 644262897 /nfs/dbraw/zinc/26/28/97/644262897.db2.gz INCBNIYIZNWBNX-VIFPVBQESA-N 1 0 227.308 0.886 20 30 BCEDRO C=C[C@H](C)ONC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000923086904 644264905 /nfs/dbraw/zinc/26/49/05/644264905.db2.gz RCUZDAKKAMOXBQ-IUCAKERBSA-N 1 0 213.281 0.496 20 30 BCEDRO C#CCNC(=O)[C@H](C)[NH+]1CCC(OCC)CC1 ZINC000193780816 644280361 /nfs/dbraw/zinc/28/03/61/644280361.db2.gz BCRBXXGIPDVEHX-NSHDSACASA-N 1 0 238.331 0.625 20 30 BCEDRO C#C[C@H](C)NC(=O)N[C@@H]1CC[N@H+](C)[C@H]1C ZINC000923218704 644290810 /nfs/dbraw/zinc/29/08/10/644290810.db2.gz XVDZHMHQRNDOLM-LPEHRKFASA-N 1 0 209.293 0.400 20 30 BCEDRO C=C[C@@H](O)C(=O)N1[C@@H]2CC[C@H]1CC[N@@H+](C)C2 ZINC000923268464 644303569 /nfs/dbraw/zinc/30/35/69/644303569.db2.gz WLDZGHAYVRTTQW-HBNTYKKESA-N 1 0 224.304 0.228 20 30 BCEDRO C=CCC[C@@H](O)CN1CCC[C@H]([NH2+]C)C1 ZINC000923282200 644315203 /nfs/dbraw/zinc/31/52/03/644315203.db2.gz SQLQPTQCOMUQBN-NWDGAFQWSA-N 1 0 212.337 0.997 20 30 BCEDRO C=CCC[C@@H](O)CN1C[C@@H](C)[NH2+][C@@H](C)C1 ZINC000923286440 644320151 /nfs/dbraw/zinc/32/01/51/644320151.db2.gz LBNIXTGHVBZMFC-GRYCIOLGSA-N 1 0 212.337 0.996 20 30 BCEDRO CCOC(C)(C)CNC(=[NH2+])N[C@@H](C)COC ZINC000187143669 644342197 /nfs/dbraw/zinc/34/21/97/644342197.db2.gz JJDLNWDHVWZDJP-VIFPVBQESA-N 1 0 231.340 0.741 20 30 BCEDRO C=CCC[C@H](O)CN1[C@H](C)C[NH2+]C[C@@H]1C ZINC000923331164 644350078 /nfs/dbraw/zinc/35/00/78/644350078.db2.gz CMDWXTOUBPVYHI-TUAOUCFPSA-N 1 0 212.337 0.996 20 30 BCEDRO C#CC[NH2+]CC(=O)N1[C@H](C)CCC[C@H]1C ZINC000082344094 644367909 /nfs/dbraw/zinc/36/79/09/644367909.db2.gz VZSFJTTWXKHDRW-GHMZBOCLSA-N 1 0 208.305 0.999 20 30 BCEDRO C=CCC[C@@H](O)CN1CC[C@@H]2C[NH2+]C[C@@H]21 ZINC000923362360 644385892 /nfs/dbraw/zinc/38/58/92/644385892.db2.gz XOXVXZDCGPKWFX-UTUOFQBUSA-N 1 0 210.321 0.607 20 30 BCEDRO C=CCC[C@H](O)C[N@@H+]1CC[C@@H]2OCCN[C@H]2C1 ZINC000923384766 644396072 /nfs/dbraw/zinc/39/60/72/644396072.db2.gz MNJUUXHLBWOFDH-AVGNSLFASA-N 1 0 240.347 0.376 20 30 BCEDRO C[C@]1(C#N)CCN(C[C@H]2CC3(C[NH2+]C3)CO2)C1 ZINC000923394824 644402866 /nfs/dbraw/zinc/40/28/66/644402866.db2.gz FZMRIYRQBFMRRA-VXGBXAGGSA-N 1 0 235.331 0.600 20 30 BCEDRO N#Cc1ccc([C@@H](O)CN2C[C@@H]3C[C@H]2C[NH2+]3)cc1 ZINC000923411754 644413335 /nfs/dbraw/zinc/41/33/35/644413335.db2.gz RKCCTURNGPCBFI-IHRRRGAJSA-N 1 0 243.310 0.638 20 30 BCEDRO C=CCC[C@H](O)CN1C[C@H]([NH3+])C(C)(C)C1 ZINC000923430431 644422542 /nfs/dbraw/zinc/42/25/42/644422542.db2.gz LEQQHSGHHUFDLA-QWRGUYRKSA-N 1 0 212.337 0.983 20 30 BCEDRO C=CCNC(=O)CN1[C@H](C)C[NH2+][C@@H](C)[C@H]1C ZINC000923444522 644430323 /nfs/dbraw/zinc/43/03/23/644430323.db2.gz TUXQMSIQRIOMGT-OUAUKWLOSA-N 1 0 225.336 0.359 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)/C=C/C)C1 ZINC000923554763 644496635 /nfs/dbraw/zinc/49/66/35/644496635.db2.gz OYKULUDBOFJEPW-ZXCPCRMDSA-N 1 0 206.289 0.776 20 30 BCEDRO C[C@H]([NH2+]C[C@@H](O)CO)c1ccc(C#N)cc1 ZINC000088288537 644516234 /nfs/dbraw/zinc/51/62/34/644516234.db2.gz WULDSIXQGQUPDN-JOYOIKCWSA-N 1 0 220.272 0.562 20 30 BCEDRO C#CC(=O)NCC[N@@H+]1CCc2ccccc2C1 ZINC000753919503 644606777 /nfs/dbraw/zinc/60/67/77/644606777.db2.gz VGRNVVGDWHFITI-UHFFFAOYSA-N 1 0 228.295 0.794 20 30 BCEDRO C#CCNC(=S)N[C@H]1CCC[C@H]([NH+](C)C)C1 ZINC000758239217 644637140 /nfs/dbraw/zinc/63/71/40/644637140.db2.gz KSILDHMUTMUPOA-QWRGUYRKSA-N 1 0 239.388 0.957 20 30 BCEDRO Cc1cc(C)c(C=NNC2=[NH+]C[C@@H](C)N2)[nH]1 ZINC000779797242 644714526 /nfs/dbraw/zinc/71/45/26/644714526.db2.gz CRROXEAQOXGSFK-SECBINFHSA-N 1 0 219.292 0.903 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cnn3cccnc23)N1 ZINC000779797952 644715361 /nfs/dbraw/zinc/71/53/61/644715361.db2.gz LXONNWBZCXEJEL-QMMMGPOBSA-N 1 0 243.274 0.001 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=C2CCn3cccc32)N1 ZINC000779805623 644716682 /nfs/dbraw/zinc/71/66/82/644716682.db2.gz QHHHYUDHWLYXPA-QMMMGPOBSA-N 1 0 217.276 0.533 20 30 BCEDRO C[C@H]1C[NH+]=C(NN=Cc2cccc(F)c2O)N1 ZINC000779804650 644717408 /nfs/dbraw/zinc/71/74/08/644717408.db2.gz GIIQONQVESRSOC-ZETCQYMHSA-N 1 0 236.250 0.803 20 30 BCEDRO CC(=NNC1=[NH+]C[C@H](C)N1)c1ccccn1 ZINC000779805750 644718632 /nfs/dbraw/zinc/71/86/32/644718632.db2.gz REPFNBUHBBJUTE-QMMMGPOBSA-N 1 0 217.276 0.743 20 30 BCEDRO COCCC(=NNC1=[NH+][C@H](C)CN1)C(C)C ZINC000779805775 644718666 /nfs/dbraw/zinc/71/86/66/644718666.db2.gz RNNGLKVXKXTBFR-SECBINFHSA-N 1 0 226.324 0.972 20 30 BCEDRO CC#CCN1CCN(C(=O)[C@H]2CC[N@H+](C)C2)CC1 ZINC000957649864 644745304 /nfs/dbraw/zinc/74/53/04/644745304.db2.gz UAGFSMYZZFVENR-ZDUSSCGKSA-N 1 0 249.358 0.106 20 30 BCEDRO C=C(C)CC[N@H+]1C[C@@H](CNC(C)=O)[C@H](O)C1 ZINC000957786860 644751772 /nfs/dbraw/zinc/75/17/72/644751772.db2.gz ATKCODNVYKSFNS-VXGBXAGGSA-N 1 0 226.320 0.381 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)(F)F ZINC000958049213 644773637 /nfs/dbraw/zinc/77/36/37/644773637.db2.gz ZXTDNWACVQYRRZ-BRPSZJMVSA-N 1 0 230.258 0.874 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@H]1CCCO1 ZINC000958168190 644779426 /nfs/dbraw/zinc/77/94/26/644779426.db2.gz DQCAWBROXMGIGF-KXNHARMFSA-N 1 0 236.315 0.398 20 30 BCEDRO CC[NH+](CC)C[C@H](C)NC(=O)NCCC#N ZINC000787356219 644783724 /nfs/dbraw/zinc/78/37/24/644783724.db2.gz HELFGJDOYSOROE-JTQLQIEISA-N 1 0 226.324 0.930 20 30 BCEDRO CC#CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)C(C)C ZINC000958267558 644784737 /nfs/dbraw/zinc/78/47/37/644784737.db2.gz CEEFHJNAEWIXHJ-GDNZZTSVSA-N 1 0 220.316 0.712 20 30 BCEDRO C=CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ccnn1C ZINC000958366888 644790960 /nfs/dbraw/zinc/79/09/60/644790960.db2.gz ZQVZVLJBZDSVAT-IAZYJMLFSA-N 1 0 246.314 0.266 20 30 BCEDRO C=CC[N@@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1cscn1 ZINC000958354178 644791628 /nfs/dbraw/zinc/79/16/28/644791628.db2.gz BAUFZLWDSABCSL-JZYVYDRUSA-N 1 0 249.339 0.989 20 30 BCEDRO C#CCC[NH+]1CCN(Cc2ncccn2)CC1 ZINC000792264385 644795618 /nfs/dbraw/zinc/79/56/18/644795618.db2.gz NVRXBMIHBCZEDQ-UHFFFAOYSA-N 1 0 230.315 0.618 20 30 BCEDRO CNC(NCCCCCCC(=O)OC)=[NH+]C ZINC000303251923 644811973 /nfs/dbraw/zinc/81/19/73/644811973.db2.gz ASIKGIQDIDOTOG-UHFFFAOYSA-N 1 0 229.324 0.905 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCCC(=O)N(C)C ZINC000303265913 644813030 /nfs/dbraw/zinc/81/30/30/644813030.db2.gz VFGPDPYDOJUNNE-QMMMGPOBSA-N 1 0 214.313 0.168 20 30 BCEDRO CC[C@@H](C)NC(=O)CCNC(=[NH2+])N[C@@H](C)CC ZINC000303263581 644813221 /nfs/dbraw/zinc/81/32/21/644813221.db2.gz RCGLEYKHOQAPGF-ZJUUUORDSA-N 1 0 242.367 0.994 20 30 BCEDRO CNC(NCc1cccnc1N(C)C)=[NH+]C ZINC000303263287 644813459 /nfs/dbraw/zinc/81/34/59/644813459.db2.gz QVIAIFCCGPBSNC-UHFFFAOYSA-N 1 0 221.308 0.442 20 30 BCEDRO COCCNC(=[NH2+])NCCOCCC(C)C ZINC000303255523 644813871 /nfs/dbraw/zinc/81/38/71/644813871.db2.gz GNHKIFKWIZVLHH-UHFFFAOYSA-N 1 0 231.340 0.600 20 30 BCEDRO COCCNC(=[NH2+])NCc1cccc(C)n1 ZINC000303267899 644815251 /nfs/dbraw/zinc/81/52/51/644815251.db2.gz XYWONGDZIHMOOT-UHFFFAOYSA-N 1 0 222.292 0.441 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)Cc1ccoc1 ZINC000958646241 644817287 /nfs/dbraw/zinc/81/72/87/644817287.db2.gz CLFSUCZAUCSEEZ-IMRBUKKESA-N 1 0 244.294 0.502 20 30 BCEDRO CC[N@@H+]1CCC[C@H]1CNC(NC1CC1)=[NH+]C ZINC000303386905 644820561 /nfs/dbraw/zinc/82/05/61/644820561.db2.gz AWMMXMMUWYPAMZ-NSHDSACASA-N 1 0 224.352 0.798 20 30 BCEDRO C[NH+]=C(NCc1cccnc1)NC1CC1 ZINC000303404347 644822169 /nfs/dbraw/zinc/82/21/69/644822169.db2.gz PAEOJYGPPSIXFD-UHFFFAOYSA-N 1 0 204.277 0.909 20 30 BCEDRO C#CC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)[C@@H]1CC1(F)F ZINC000958800989 644828509 /nfs/dbraw/zinc/82/85/09/644828509.db2.gz NIPIPZQEZHNZHI-QCLAVDOMSA-N 1 0 240.253 0.321 20 30 BCEDRO C#CCC[N@H+]1C[C@H]2[C@@H](C1)[C@@H]2NC(=O)c1ncc[nH]1 ZINC000958808225 644828572 /nfs/dbraw/zinc/82/85/72/644828572.db2.gz DFEYPHFLYWHAHS-URLYPYJESA-N 1 0 244.298 0.093 20 30 BCEDRO CC#CC(=O)NC[C@H]1CCC[N@@H+](CC)C1 ZINC000801144078 644837609 /nfs/dbraw/zinc/83/76/09/644837609.db2.gz YITBEKLQCDKIEC-LLVKDONJSA-N 1 0 208.305 0.858 20 30 BCEDRO CC[N@@H+]1CCC[C@@H]1CNC(=[NH2+])N[C@H](C)COC ZINC000303696812 644839418 /nfs/dbraw/zinc/83/94/18/644839418.db2.gz FHUHUKPALRQZFN-GHMZBOCLSA-N 1 0 242.367 0.410 20 30 BCEDRO C=C(C)CNC(=[NH2+])NCCC(=O)OC(C)C ZINC000303771819 644844337 /nfs/dbraw/zinc/84/43/37/644844337.db2.gz CZNARYQSLNOFEQ-UHFFFAOYSA-N 1 0 227.308 0.809 20 30 BCEDRO [NH2+]=C(NCCNC(=O)C1CC1)N1CCCCC1 ZINC000303775668 644844395 /nfs/dbraw/zinc/84/43/95/644844395.db2.gz GWSQKNRVKYOAED-UHFFFAOYSA-N 1 0 238.335 0.313 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](C(C)C)N1CCOCC1 ZINC000303787185 644845958 /nfs/dbraw/zinc/84/59/58/644845958.db2.gz SFHVDZOHPXYVHX-NSHDSACASA-N 1 0 242.367 0.267 20 30 BCEDRO C[C@H](C#N)OCC[N@@H+]1CCC[C@H]1C(=O)N(C)C ZINC000801912320 644846108 /nfs/dbraw/zinc/84/61/08/644846108.db2.gz NCGVHILSLPYUIM-MNOVXSKESA-N 1 0 239.319 0.468 20 30 BCEDRO CCCCNC(=[NH2+])NCCC(=O)NC(C)C ZINC000303788215 644846502 /nfs/dbraw/zinc/84/65/02/644846502.db2.gz UCAUDDPOTDQCTA-UHFFFAOYSA-N 1 0 228.340 0.606 20 30 BCEDRO CC(C)C(=O)NCC[NH+]=C(N(C)C)N(C)C ZINC000303789395 644846568 /nfs/dbraw/zinc/84/65/68/644846568.db2.gz VHMIPBYHOWRBGQ-UHFFFAOYSA-N 1 0 228.340 0.238 20 30 BCEDRO CCNC(=[NH2+])NCCCN1CCCCCC1=O ZINC000303782245 644846883 /nfs/dbraw/zinc/84/68/83/644846883.db2.gz MZSSKFSFTSDCCY-UHFFFAOYSA-N 1 0 240.351 0.703 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCNC(=O)C1CC1 ZINC000303783009 644847062 /nfs/dbraw/zinc/84/70/62/644847062.db2.gz NSYNRSLBAQNHNJ-UHFFFAOYSA-N 1 0 226.324 0.169 20 30 BCEDRO CCOc1cccc(C=NNC(N)=[NH2+])c1 ZINC000252453403 644852512 /nfs/dbraw/zinc/85/25/12/644852512.db2.gz JBDZSGQCEUKJSW-UHFFFAOYSA-N 1 0 206.249 0.902 20 30 BCEDRO C[C@@H]1CCCN(C(=[NH2+])NCCC(=O)N(C)C)C1 ZINC000303876010 644852943 /nfs/dbraw/zinc/85/29/43/644852943.db2.gz HWJKEPYJBXOGRN-SNVBAGLBSA-N 1 0 240.351 0.511 20 30 BCEDRO CCOCCCNC(=[NH2+])NCc1cnn(C)c1 ZINC000303885478 644854613 /nfs/dbraw/zinc/85/46/13/644854613.db2.gz NFJOHNROEQESLD-UHFFFAOYSA-N 1 0 239.323 0.251 20 30 BCEDRO CCCNC(=[NH2+])NCc1ccc(C(=O)NC)cc1 ZINC000303895444 644856336 /nfs/dbraw/zinc/85/63/36/644856336.db2.gz PMIHMZYWEMGIPP-UHFFFAOYSA-N 1 0 248.330 0.861 20 30 BCEDRO CC(C)(C)NC(=[NH2+])NC[C@@H](O)COCC1CC1 ZINC000303973178 644861238 /nfs/dbraw/zinc/86/12/38/644861238.db2.gz GTHPBPAGOWIUPE-SNVBAGLBSA-N 1 0 243.351 0.477 20 30 BCEDRO COC(=O)[C@H](C)CNC(=[NH2+])NCC(C)C ZINC000303984729 644863258 /nfs/dbraw/zinc/86/32/58/644863258.db2.gz SIZAKQOBDYSFMU-MRVPVSSYSA-N 1 0 215.297 0.356 20 30 BCEDRO CCNC(NCCSCC(=O)OC)=[NH+]CC ZINC000304006850 644866619 /nfs/dbraw/zinc/86/66/19/644866619.db2.gz SYYPLZLGIPBWNF-UHFFFAOYSA-N 1 0 247.364 0.468 20 30 BCEDRO C[C@@H](C#N)OCCN1CC[N@H+](C)C(C)(C)C1 ZINC000304220161 644876581 /nfs/dbraw/zinc/87/65/81/644876581.db2.gz HIEPMRLKKNZVLZ-NSHDSACASA-N 1 0 225.336 0.941 20 30 BCEDRO CC[N@@H+]1CCN(CCO[C@H](C)C#N)C[C@@H]1C ZINC000304231579 644879108 /nfs/dbraw/zinc/87/91/08/644879108.db2.gz KYIJZFXDDFLGMB-NWDGAFQWSA-N 1 0 225.336 0.941 20 30 BCEDRO N#CC[C@@H](O)C[N@H+](C[C@@H]1CCOC1)C1CC1 ZINC000809572674 644891349 /nfs/dbraw/zinc/89/13/49/644891349.db2.gz QWEBONUDSPHUJH-CMPLNLGQSA-N 1 0 224.304 0.762 20 30 BCEDRO N#CC[C@@H](O)C[NH+]1CCC(C2OCCO2)CC1 ZINC000809573754 644892472 /nfs/dbraw/zinc/89/24/72/644892472.db2.gz XGIBMSYVIQKRED-LLVKDONJSA-N 1 0 240.303 0.346 20 30 BCEDRO N#CC[C@@H](O)C[N@@H+](CCO)C1CCCCC1 ZINC000809575710 644893865 /nfs/dbraw/zinc/89/38/65/644893865.db2.gz BOZRHDIUGPBGPS-GFCCVEGCSA-N 1 0 226.320 0.888 20 30 BCEDRO CNC(NCCOc1ccc(C#N)cc1)=[NH+]C ZINC000304353777 644895612 /nfs/dbraw/zinc/89/56/12/644895612.db2.gz WASFFNSXOLSKGU-UHFFFAOYSA-N 1 0 232.287 0.732 20 30 BCEDRO CNC(NC[C@H](C)C(=O)OC(C)C)=[NH+]C ZINC000304366965 644898747 /nfs/dbraw/zinc/89/87/47/644898747.db2.gz ZAENJEYVVLOVJH-QMMMGPOBSA-N 1 0 215.297 0.369 20 30 BCEDRO C#CCOCCNC(=O)[C@H]1CC[N@H+](C)[C@@H](C)C1 ZINC000811026469 644909592 /nfs/dbraw/zinc/90/95/92/644909592.db2.gz AHYWYUOVIVYCQJ-RYUDHWBXSA-N 1 0 238.331 0.483 20 30 BCEDRO CC(C)CCNC(=[NH2+])NC[C@]1(O)CCSC1 ZINC000304510180 644911264 /nfs/dbraw/zinc/91/12/64/644911264.db2.gz SMUOOTDAXJVHQP-LLVKDONJSA-N 1 0 245.392 0.805 20 30 BCEDRO CNC(=[NH2+])NCc1csc(N(C)C)n1 ZINC000304561689 644917326 /nfs/dbraw/zinc/91/73/26/644917326.db2.gz YFGFNMOSGHJZAG-UHFFFAOYSA-N 1 0 213.310 0.243 20 30 BCEDRO CCNC(=[NH2+])NC[C@](C)(O)c1ccco1 ZINC000304622862 644922219 /nfs/dbraw/zinc/92/22/19/644922219.db2.gz OHUFGDIRQOVTHT-JTQLQIEISA-N 1 0 211.265 0.411 20 30 BCEDRO CC[C@H](C)NC(=[NH2+])NCC(C)(C)S(C)(=O)=O ZINC000304719045 644926647 /nfs/dbraw/zinc/92/66/47/644926647.db2.gz OARKWSACODUTOR-QMMMGPOBSA-N 1 0 249.380 0.512 20 30 BCEDRO CCNC(=[NH2+])NC[C@@H](OC)C(C)(C)C ZINC000304705284 644928058 /nfs/dbraw/zinc/92/80/58/644928058.db2.gz WRMMYIILYKIGRN-MRVPVSSYSA-N 1 0 201.314 0.972 20 30 BCEDRO CCN(CC)C(=[NH2+])NCCOC[C@@H]1CCCO1 ZINC000304747893 644928703 /nfs/dbraw/zinc/92/87/03/644928703.db2.gz GTTYSIJPHYDKGH-NSHDSACASA-N 1 0 243.351 0.839 20 30 BCEDRO CC(C)NC(=[NH2+])NCCN(C)CC(F)(F)F ZINC000304740054 644929788 /nfs/dbraw/zinc/92/97/88/644929788.db2.gz BMBDEZAQSKRXAI-UHFFFAOYSA-N 1 0 240.273 0.793 20 30 BCEDRO CC(C)CCNC(=[NH2+])NCC1(O)CCC1 ZINC000304753950 644930793 /nfs/dbraw/zinc/93/07/93/644930793.db2.gz LOBDIQXGWFXPPB-UHFFFAOYSA-N 1 0 213.325 0.852 20 30 BCEDRO COC(C)(C)C[NH+]=C(N(C)C)N(C)C ZINC000304756854 644930840 /nfs/dbraw/zinc/93/08/40/644930840.db2.gz OCHDMCDUDOMTOM-UHFFFAOYSA-N 1 0 201.314 0.891 20 30 BCEDRO CCOCCCNC(=[NH2+])NCC1(O)CCC1 ZINC000304761231 644930847 /nfs/dbraw/zinc/93/08/47/644930847.db2.gz UBWQBGPYCHQPBF-UHFFFAOYSA-N 1 0 229.324 0.232 20 30 BCEDRO C#CCONC(=O)CC[C@@H]1CCCC[N@H+]1C ZINC000812783113 644931257 /nfs/dbraw/zinc/93/12/57/644931257.db2.gz ZCLWAKKEEWXEEC-NSHDSACASA-N 1 0 224.304 0.932 20 30 BCEDRO [NH2+]=C(NCCC(F)(F)F)N1CCOCC1 ZINC000304763320 644932975 /nfs/dbraw/zinc/93/29/75/644932975.db2.gz WQSSSNVSPASKOV-UHFFFAOYSA-N 1 0 225.214 0.586 20 30 BCEDRO CSCCCCNC(=[NH2+])N1CCOCC1 ZINC000304763635 644933210 /nfs/dbraw/zinc/93/32/10/644933210.db2.gz XAVVZFRCJVHXOJ-UHFFFAOYSA-N 1 0 231.365 0.777 20 30 BCEDRO C[NH+]=C(NCCCO[C@@H]1CCOC1)NC1CC1 ZINC000304983161 644944289 /nfs/dbraw/zinc/94/42/89/644944289.db2.gz ADKXYTWERNHRFB-LLVKDONJSA-N 1 0 241.335 0.509 20 30 BCEDRO CON=CC(=O)N1CC[C@]2(CC[N@H+](C)C2)C1 ZINC000817044054 644967848 /nfs/dbraw/zinc/96/78/48/644967848.db2.gz WZRQAYDTYOIELO-NSHDSACASA-N 1 0 225.292 0.173 20 30 BCEDRO C#CCNC(=O)CC[NH2+]C1CCC(C)(O)CC1 ZINC000819134205 645006517 /nfs/dbraw/zinc/00/65/17/645006517.db2.gz ZCBAKBAOBJNKSU-UHFFFAOYSA-N 1 0 238.331 0.409 20 30 BCEDRO C=C[C@H](O)C(=O)N[C@H](C[NH+](C)C)C(C)C ZINC000827533392 645081814 /nfs/dbraw/zinc/08/18/14/645081814.db2.gz UCQVXAAAOVPJCI-ZJUUUORDSA-N 1 0 214.309 0.236 20 30 BCEDRO C#CC[C@@H]1CCC[N@@H+](CC(=O)N2CCC2)C1 ZINC000829778834 645110742 /nfs/dbraw/zinc/11/07/42/645110742.db2.gz IGFGCPDSVMZWIL-GFCCVEGCSA-N 1 0 220.316 0.954 20 30 BCEDRO C#CC1CC[NH+]([C@@H](C)C(=O)NC2CC2)CC1 ZINC000830311915 645118388 /nfs/dbraw/zinc/11/83/88/645118388.db2.gz ZRWNRKHJNURFDC-JTQLQIEISA-N 1 0 220.316 0.999 20 30 BCEDRO C=C(C[NH+](C)C)C(=O)N(C)[C@H](C)C(C)(C)O ZINC000836808807 645176290 /nfs/dbraw/zinc/17/62/90/645176290.db2.gz FUOFBNOZZLWKBG-SNVBAGLBSA-N 1 0 228.336 0.722 20 30 BCEDRO C#CCN1CCC[C@H]1C(=O)NCC1(C#N)CCC1 ZINC000841469190 645211371 /nfs/dbraw/zinc/21/13/71/645211371.db2.gz UCDJUHRDWWOTMX-LBPRGKRZSA-N 1 0 245.326 0.894 20 30 BCEDRO CON=CC(=O)N(C)C(C)(C)C[NH+]1CCCC1 ZINC000841468150 645211664 /nfs/dbraw/zinc/21/16/64/645211664.db2.gz UXGQDVDKYPNUGN-UHFFFAOYSA-N 1 0 241.335 0.951 20 30 BCEDRO C#CCCCCNC(=O)N1CC[NH2+]CC1 ZINC000841857853 645229619 /nfs/dbraw/zinc/22/96/19/645229619.db2.gz BNMRMBIYOSNINB-UHFFFAOYSA-N 1 0 209.293 0.405 20 30 BCEDRO C#CCCCCNC(=O)NCCC[NH2+]C ZINC000841857848 645231394 /nfs/dbraw/zinc/23/13/94/645231394.db2.gz BLOUMJVRIGSFDM-UHFFFAOYSA-N 1 0 211.309 0.699 20 30 BCEDRO C#CCCCNC(=O)NCC[N@H+](CC)CCO ZINC000187336081 645327762 /nfs/dbraw/zinc/32/77/62/645327762.db2.gz IFBPNCTXRMQGNE-UHFFFAOYSA-N 1 0 241.335 0.013 20 30 BCEDRO C=CCOCCC[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000926704758 645369897 /nfs/dbraw/zinc/36/98/97/645369897.db2.gz OWUOJEMPSSUZCG-SNVBAGLBSA-N 1 0 226.320 0.693 20 30 BCEDRO C[C@H](CC(C)(C)C#N)[NH2+]CCN1CC[C@H](O)C1 ZINC000926773944 645419030 /nfs/dbraw/zinc/41/90/30/645419030.db2.gz GQHKCNONCOWRMK-NEPJUHHUSA-N 1 0 239.363 0.971 20 30 BCEDRO C#C[C@@H]1CCCN(C(=O)[C@H]2CCC[N@H+]2C)C1 ZINC000848285554 645435971 /nfs/dbraw/zinc/43/59/71/645435971.db2.gz UYRNUBRMDSPKIY-VXGBXAGGSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCNC(=O)CC[NH2+]CCCOCC=C ZINC000849330070 645449211 /nfs/dbraw/zinc/44/92/11/645449211.db2.gz IHRCJRCOANEUIH-UHFFFAOYSA-N 1 0 224.304 0.308 20 30 BCEDRO C=C(C)C[C@H](CO)[NH2+][C@@H](C)c1cnn(C)n1 ZINC000926866887 645462291 /nfs/dbraw/zinc/46/22/91/645462291.db2.gz ZGVIZUVKTZHHHO-VHSXEESVSA-N 1 0 224.308 0.793 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+]([C@@H]2CCN(CC)C2=O)C1 ZINC000852216650 645475791 /nfs/dbraw/zinc/47/57/91/645475791.db2.gz JGBGLGQDTBTMIE-VXGBXAGGSA-N 1 0 220.316 0.952 20 30 BCEDRO C#C[C@H]1CCC[N@@H+]([C@H]2CCN(CC)C2=O)C1 ZINC000852216649 645475670 /nfs/dbraw/zinc/47/56/70/645475670.db2.gz JGBGLGQDTBTMIE-RYUDHWBXSA-N 1 0 220.316 0.952 20 30 BCEDRO C#CCNC(=O)C[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000852464216 645482326 /nfs/dbraw/zinc/48/23/26/645482326.db2.gz LXPWTLGXEIGEIR-BETUJISGSA-N 1 0 236.315 0.094 20 30 BCEDRO C#CCOCC[N@H+]1C[C@]2(C)COC[C@]2(C)C1 ZINC000852459762 645483386 /nfs/dbraw/zinc/48/33/86/645483386.db2.gz HBKNFAGZRLTAHU-BETUJISGSA-N 1 0 223.316 0.995 20 30 BCEDRO Cn1nccc1[C@H](O)C[NH2+][C@@H]1CC[C@@H](C#N)C1 ZINC000927129875 645562801 /nfs/dbraw/zinc/56/28/01/645562801.db2.gz LOJLLFARAUSHED-CKYFFXLPSA-N 1 0 234.303 0.735 20 30 BCEDRO Cn1nccc1[C@H](O)C[NH2+][C@H]1CC[C@@H](C#N)C1 ZINC000927129886 645562950 /nfs/dbraw/zinc/56/29/50/645562950.db2.gz LOJLLFARAUSHED-JFGNBEQYSA-N 1 0 234.303 0.735 20 30 BCEDRO C#CC[C@@H]1NC(=O)N(C2CC[NH+](C)CC2)C1=O ZINC000927292076 645594763 /nfs/dbraw/zinc/59/47/63/645594763.db2.gz DKGZNNRQLMFHLU-JTQLQIEISA-N 1 0 235.287 0.024 20 30 BCEDRO C#CCSCC[NH2+]C[C@@H](O)CC1(C#N)CC1 ZINC000863552983 645704240 /nfs/dbraw/zinc/70/42/40/645704240.db2.gz RYRRCRDCYKMSMH-NSHDSACASA-N 1 0 238.356 0.997 20 30 BCEDRO C#CC[C@@H](COC)NC(=O)[C@@H]1CCC[N@@H+]1C ZINC000863799832 645706450 /nfs/dbraw/zinc/70/64/50/645706450.db2.gz RGSPFJHSCNCYID-QWRGUYRKSA-N 1 0 224.304 0.235 20 30 BCEDRO C[NH+]1CCC(CC(=O)n2ncc(C#N)c2N)CC1 ZINC000869368919 645741337 /nfs/dbraw/zinc/74/13/37/645741337.db2.gz QZGTWTCNIPLFFP-UHFFFAOYSA-N 1 0 247.302 0.709 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C(=O)N[C@H]1CC[N@H+](C)[C@@H]1C ZINC000928432331 645745462 /nfs/dbraw/zinc/74/54/62/645745462.db2.gz JFGBJLPGNDGNMC-WYUUTHIRSA-N 1 0 238.331 0.786 20 30 BCEDRO C[C@@H]1[C@@H](NC(=O)CC2(C#N)CC2)CC[N@@H+]1C ZINC000928432739 645750603 /nfs/dbraw/zinc/75/06/03/645750603.db2.gz KDNAUONFNWBEBZ-ZJUUUORDSA-N 1 0 221.304 0.889 20 30 BCEDRO C#Cc1ccc(C(=O)N[C@H]2CC[N@H+](C)[C@H]2C)cn1 ZINC000928448566 645774257 /nfs/dbraw/zinc/77/42/57/645774257.db2.gz OBDFOAAUTKKUNS-GWCFXTLKSA-N 1 0 243.310 0.885 20 30 BCEDRO C#CC[N@H+]1CC[C@@H](NC(=O)C(F)F)C[C@H]1C ZINC000946946564 645830668 /nfs/dbraw/zinc/83/06/68/645830668.db2.gz OFAVLIFRGAQMND-RKDXNWHRSA-N 1 0 230.258 0.854 20 30 BCEDRO C#CCC1(O)CC[NH+](CC#CCOC)CC1 ZINC000880480705 645832403 /nfs/dbraw/zinc/83/24/03/645832403.db2.gz CKYQEOUTTCAMCK-UHFFFAOYSA-N 1 0 221.300 0.486 20 30 BCEDRO C#CCC1(O)CC[NH+](CCOCCOC)CC1 ZINC000880480020 645833222 /nfs/dbraw/zinc/83/32/22/645833222.db2.gz GOVHBWRAMIBTDI-UHFFFAOYSA-N 1 0 241.331 0.500 20 30 BCEDRO C[C@@H](C(=O)N[C@H](CC#N)C(F)(F)F)[NH+](C)C ZINC000928799518 645858855 /nfs/dbraw/zinc/85/88/55/645858855.db2.gz CXUMXKOXCNJYJX-NKWVEPMBSA-N 1 0 237.225 0.897 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)Cc1ccc(C#N)nc1 ZINC000928579048 645837459 /nfs/dbraw/zinc/83/74/59/645837459.db2.gz POXDCXQATBWFHD-LBPRGKRZSA-N 1 0 244.298 0.316 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnc(N(C)C)nc1 ZINC000883124061 645848144 /nfs/dbraw/zinc/84/81/44/645848144.db2.gz UTSKRMLZGZPXHR-NSHDSACASA-N 1 0 234.303 0.016 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cc(C(F)(F)F)n[nH]1 ZINC000883124227 645848235 /nfs/dbraw/zinc/84/82/35/645848235.db2.gz AZAFLBJDNIVUJW-SSDOTTSWSA-N 1 0 247.220 0.902 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@](C)(O)C=C)CC1 ZINC000928651344 645851983 /nfs/dbraw/zinc/85/19/83/645851983.db2.gz SJPAGPISRANGKQ-ZDUSSCGKSA-N 1 0 236.315 0.137 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H]2CC2(F)F)CC1 ZINC000928651591 645853557 /nfs/dbraw/zinc/85/35/57/645853557.db2.gz WUTBTDALWFYXMW-JTQLQIEISA-N 1 0 242.269 0.855 20 30 BCEDRO C#CC[NH+]1CCC(NC(=O)[C@@H](C#N)CC)CC1 ZINC000928649354 645853764 /nfs/dbraw/zinc/85/37/64/645853764.db2.gz ILIKGOCCVNAYJM-LLVKDONJSA-N 1 0 233.315 0.750 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H]([C@@H]2CCCO2)C1 ZINC000886839553 645891003 /nfs/dbraw/zinc/89/10/03/645891003.db2.gz HKYDFBGPOFQIGY-NEPJUHHUSA-N 1 0 236.315 0.237 20 30 BCEDRO C#CC[N@H+](C)CCCNC(=O)c1cc(=O)cc[nH]1 ZINC000929083617 645934528 /nfs/dbraw/zinc/93/45/28/645934528.db2.gz MHUHPERGHLEGDA-UHFFFAOYSA-N 1 0 247.298 0.060 20 30 BCEDRO C[C@@H](O)[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000929162910 645981721 /nfs/dbraw/zinc/98/17/21/645981721.db2.gz VUYWIEGFJCCPEJ-ZWNOBZJWSA-N 1 0 234.299 0.732 20 30 BCEDRO C[C@H](O)[C@H](O)C[N@H+](C)Cc1ccc(C#N)cc1 ZINC000929162908 645982317 /nfs/dbraw/zinc/98/23/17/645982317.db2.gz VUYWIEGFJCCPEJ-GXFFZTMASA-N 1 0 234.299 0.732 20 30 BCEDRO C[N@@H+](CC(N)=O)CC1CCC(C#N)CC1 ZINC000929262883 646044715 /nfs/dbraw/zinc/04/47/15/646044715.db2.gz RLOIPWYCYIVBSQ-UHFFFAOYSA-N 1 0 209.293 0.733 20 30 BCEDRO CC[N@H+](C[C@H](O)CC#N)C[C@@H]1CCOC1 ZINC000929286884 646061446 /nfs/dbraw/zinc/06/14/46/646061446.db2.gz JKELWUFZGYKQIT-WDEREUQCSA-N 1 0 212.293 0.619 20 30 BCEDRO C#CC[N@@H+](C[C@H](O)CO)C1CCCCC1 ZINC000929362744 646096537 /nfs/dbraw/zinc/09/65/37/646096537.db2.gz VGDSYHGXDHVPFM-LBPRGKRZSA-N 1 0 211.305 0.608 20 30 BCEDRO C#CC[N@@H+](C[C@@H](O)CO)C1CCCCC1 ZINC000929362743 646097012 /nfs/dbraw/zinc/09/70/12/646097012.db2.gz VGDSYHGXDHVPFM-GFCCVEGCSA-N 1 0 211.305 0.608 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1oc(C)nc1C ZINC000723630523 711527286 /nfs/dbraw/zinc/52/72/86/711527286.db2.gz FOOZKOPWVHTCSF-SNVBAGLBSA-N 1 0 208.261 0.765 20 30 BCEDRO C=CC[C@@H](CC)N1C(=O)N[C@H](C[NH+](C)C)C1=O ZINC000924859124 646119632 /nfs/dbraw/zinc/11/96/32/646119632.db2.gz AJPLYTGETHSPBC-NXEZZACHSA-N 1 0 239.319 0.823 20 30 BCEDRO C[C@@H]1OC[C@H]([NH2+]C2CCN(CC#N)CC2)[C@@H]1C ZINC000925003019 646155038 /nfs/dbraw/zinc/15/50/38/646155038.db2.gz MFQRZNRKNHXIQJ-MDZLAQPJSA-N 1 0 237.347 0.987 20 30 BCEDRO C=C1CC[NH+](C[C@H](O)C[C@]2(O)CCOC2)CC1 ZINC000929605253 646194814 /nfs/dbraw/zinc/19/48/14/646194814.db2.gz XTVNAHBMKBWSDL-CHWSQXEVSA-N 1 0 241.331 0.541 20 30 BCEDRO N#CC[C@@H](O)CN1CC[C@H]([NH+]2CCCCC2)C1 ZINC000929605520 646196283 /nfs/dbraw/zinc/19/62/83/646196283.db2.gz YKWAMKCGQWAJJN-QWHCGFSZSA-N 1 0 237.347 0.821 20 30 BCEDRO C=C1CC[NH+](CC2CN(S(C)(=O)=O)C2)CC1 ZINC000929605539 646196373 /nfs/dbraw/zinc/19/63/73/646196373.db2.gz ZAPIHFJYZBQKLO-UHFFFAOYSA-N 1 0 244.360 0.530 20 30 BCEDRO C=C(C)C[C@H]1NC(=O)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000925196920 646207733 /nfs/dbraw/zinc/20/77/33/646207733.db2.gz POGTZXCXICSAGE-VHSXEESVSA-N 1 0 237.303 0.577 20 30 BCEDRO C=CCC[C@@H]1NC(=O)N(C[C@@H]2CC[N@H+]2C)C1=O ZINC000925196514 646207984 /nfs/dbraw/zinc/20/79/84/646207984.db2.gz NLFDCLIAFJOIST-UWVGGRQHSA-N 1 0 237.303 0.577 20 30 BCEDRO C#CCN(CC#CC)C(=O)N[C@@H]1CC[N@H+](C)[C@@H]1C ZINC000925324309 646241210 /nfs/dbraw/zinc/24/12/10/646241210.db2.gz CSHSMBCBLOMNPY-CHWSQXEVSA-N 1 0 247.342 0.747 20 30 BCEDRO C[N@@H+]1CC[C@@H]1CNC(=O)N1CCC(C#N)CC1 ZINC000925407629 646261882 /nfs/dbraw/zinc/26/18/82/646261882.db2.gz MHOCLWCDPVRTRW-LLVKDONJSA-N 1 0 236.319 0.636 20 30 BCEDRO C=CC[C@H](C)NC(=O)NC[C@@H]1CC[N@@H+]1C ZINC000925406478 646262872 /nfs/dbraw/zinc/26/28/72/646262872.db2.gz NOTWKNXETQWJRB-UWVGGRQHSA-N 1 0 211.309 0.954 20 30 BCEDRO C=CC[C@@H](C)NC(=O)NC[C@H]1CC[N@@H+]1C ZINC000925406477 646263684 /nfs/dbraw/zinc/26/36/84/646263684.db2.gz NOTWKNXETQWJRB-NXEZZACHSA-N 1 0 211.309 0.954 20 30 BCEDRO CN(CC(C)(C)C#N)C(=O)NC[C@H]1CC[N@@H+]1C ZINC000925422665 646270892 /nfs/dbraw/zinc/27/08/92/646270892.db2.gz APLZTVPUSRDSFI-SNVBAGLBSA-N 1 0 238.335 0.882 20 30 BCEDRO C=C(C)C[C@H](CO)NC(=O)NC[C@@H]1CC[N@H+]1C ZINC000925430860 646279742 /nfs/dbraw/zinc/27/97/42/646279742.db2.gz CCLNBNCBKYXGEK-MNOVXSKESA-N 1 0 241.335 0.317 20 30 BCEDRO C[N@@H+]1CC[C@H]1CNC(=O)N1CCC[C@@H](C#N)C1 ZINC000925432771 646279785 /nfs/dbraw/zinc/27/97/85/646279785.db2.gz OXJCPUIZKQGOLD-QWRGUYRKSA-N 1 0 236.319 0.636 20 30 BCEDRO CC[NH+](CC)C[C@H]1CCN(C[C@H](O)CC#N)C1 ZINC000929751260 646282435 /nfs/dbraw/zinc/28/24/35/646282435.db2.gz YSIPVKJBMAVLOL-CHWSQXEVSA-N 1 0 239.363 0.925 20 30 BCEDRO CC(C)CCN(CCC#N)C[C@@H](O)CO ZINC000929779824 646306626 /nfs/dbraw/zinc/30/66/26/646306626.db2.gz LBRBOFDOJUXFOE-LLVKDONJSA-N 1 0 214.309 0.601 20 30 BCEDRO CC[N@@H+]1CC[C@H]2CC[C@@H](C1)N2C[C@H](O)CC#N ZINC000929811513 646332421 /nfs/dbraw/zinc/33/24/21/646332421.db2.gz BIHPQDXIFPGYOB-FRRDWIJNSA-N 1 0 237.347 0.820 20 30 BCEDRO C[C@H]1N(C[C@H](O)CC#N)CCOC1(C)C ZINC000929840942 646352051 /nfs/dbraw/zinc/35/20/51/646352051.db2.gz IPZPTHDBGOCOTJ-NXEZZACHSA-N 1 0 212.293 0.760 20 30 BCEDRO CC(C)(CCC#N)C[NH2+][C@H]1CNCCOC1 ZINC000925671742 646401143 /nfs/dbraw/zinc/40/11/43/646401143.db2.gz FJWCLIXWGRYCTL-NSHDSACASA-N 1 0 225.336 0.894 20 30 BCEDRO CC[C@@](C)(CC(=O)OC)[NH2+]C[C@H](O)CC#N ZINC000930028368 646401347 /nfs/dbraw/zinc/40/13/47/646401347.db2.gz MVDGDUCHQMHETO-KOLCDFICSA-N 1 0 228.292 0.582 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1N[C@@H]1[C@H]2C[C@H]3C[NH2+][C@H]1[C@H]3C2 ZINC000925682355 646408949 /nfs/dbraw/zinc/40/89/49/646408949.db2.gz BDXDUQOBZHQILN-XVZUFCMUSA-N 1 0 234.343 0.916 20 30 BCEDRO N#CC[C@@H](O)C[NH2+]C1(CO)CCCCC1 ZINC000930054183 646413232 /nfs/dbraw/zinc/41/32/32/646413232.db2.gz JVYHHKWNNGQINR-SNVBAGLBSA-N 1 0 212.293 0.546 20 30 BCEDRO C=C[C@@H]1OCCC[C@H]1N[C@H]1C[NH2+]CCOC1 ZINC000925687424 646415099 /nfs/dbraw/zinc/41/50/99/646415099.db2.gz ASYZASIJNFMVPP-TUAOUCFPSA-N 1 0 226.320 0.298 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H](C)C[C@@H]1CCC(=O)N1 ZINC000925692710 646418533 /nfs/dbraw/zinc/41/85/33/646418533.db2.gz AHUWNIWFSHGBTR-WOPDTQHZSA-N 1 0 240.347 0.818 20 30 BCEDRO C=CC[C@H](CO)C[NH2+][C@H]1C(=O)NCC1(C)C ZINC000925699883 646423071 /nfs/dbraw/zinc/42/30/71/646423071.db2.gz YFCWBDWMZJZKJC-UWVGGRQHSA-N 1 0 226.320 0.285 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@@H]1C(=O)NCC1(C)C ZINC000925699882 646423407 /nfs/dbraw/zinc/42/34/07/646423407.db2.gz YFCWBDWMZJZKJC-NXEZZACHSA-N 1 0 226.320 0.285 20 30 BCEDRO C=CC[C@@H](CO)C[NH2+][C@H]1CCC1(OC)OC ZINC000925698614 646423720 /nfs/dbraw/zinc/42/37/20/646423720.db2.gz STFXGUKLWLCDNC-MNOVXSKESA-N 1 0 229.320 0.912 20 30 BCEDRO C=CCn1cc(CN[C@H]2CC[NH2+]C23CCC3)nn1 ZINC000925704955 646429261 /nfs/dbraw/zinc/42/92/61/646429261.db2.gz IZTUJRBWQRVELD-LBPRGKRZSA-N 1 0 247.346 0.838 20 30 BCEDRO C=C[C@@H]1OCC[C@H]1C[NH2+][C@@H]1CNCCOC1 ZINC000925712045 646437560 /nfs/dbraw/zinc/43/75/60/646437560.db2.gz ZKPRAAHASUODPJ-TUAOUCFPSA-N 1 0 226.320 0.156 20 30 BCEDRO C=CC[N@@H+](C[C@H](O)C[C@@]1(O)CCOC1)C1CC1 ZINC000930176030 646477681 /nfs/dbraw/zinc/47/76/81/646477681.db2.gz PDXOCAXIYRWKLF-OLZOCXBDSA-N 1 0 241.331 0.539 20 30 BCEDRO N#Cc1ccc(F)c(CN[C@@H]2C[NH2+]CCOC2)c1 ZINC000925814486 646491901 /nfs/dbraw/zinc/49/19/01/646491901.db2.gz MAHJDGOOXCWTOL-GFCCVEGCSA-N 1 0 249.289 0.775 20 30 BCEDRO C[C@@H](C[C@H]1CCC(=O)N1)[NH2+]CCCC#N ZINC000926131573 646578644 /nfs/dbraw/zinc/57/86/44/646578644.db2.gz FWEUGBKTKKLWMQ-VHSXEESVSA-N 1 0 209.293 0.937 20 30 BCEDRO C=C(C)C[NH2+][C@H]1C(=O)NCC12CCOCC2 ZINC000926241465 646602506 /nfs/dbraw/zinc/60/25/06/646602506.db2.gz XKQYNMMOUVJKSK-JTQLQIEISA-N 1 0 224.304 0.447 20 30 BCEDRO C=CC[NH2+][C@@H]1C(=O)NCC12CCOCC2 ZINC000926238890 646603093 /nfs/dbraw/zinc/60/30/93/646603093.db2.gz FNPDZHUESNLMIL-SECBINFHSA-N 1 0 210.277 0.057 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@@H](C)c1cnnn1C ZINC000926489598 646659641 /nfs/dbraw/zinc/65/96/41/646659641.db2.gz IUXBCXLVVPLGIZ-NSHDSACASA-N 1 0 235.335 0.421 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@H]1CCOC[C@H]1C ZINC000717795939 711622980 /nfs/dbraw/zinc/62/29/80/711622980.db2.gz WJMOAEXZEKABNT-UTUOFQBUSA-N 1 0 211.305 0.775 20 30 BCEDRO C=CCOCC[NH2+][C@H]1CCN(CCOC)C1 ZINC000393761844 711677389 /nfs/dbraw/zinc/67/73/89/711677389.db2.gz XQRGPOCWCUEENU-LBPRGKRZSA-N 1 0 228.336 0.499 20 30 BCEDRO C#CCN1CC[C@H]1CNC(=O)[C@H]1CCCCO1 ZINC001038154890 711753099 /nfs/dbraw/zinc/75/30/99/711753099.db2.gz QDRLQWHZXWTPAP-NWDGAFQWSA-N 1 0 236.315 0.379 20 30 BCEDRO CC(C)(C#N)C[NH2+]C[C@H](O)C1(O)CCOCC1 ZINC000905202263 711812631 /nfs/dbraw/zinc/81/26/31/711812631.db2.gz GSBNKBWQCMIQQH-JTQLQIEISA-N 1 0 242.319 0.028 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)Cc1cscn1 ZINC000913524487 711823421 /nfs/dbraw/zinc/82/34/21/711823421.db2.gz OIBCSADATPCWAM-UHFFFAOYSA-N 1 0 237.328 0.367 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)C(C)C)C1 ZINC001032927747 711967426 /nfs/dbraw/zinc/96/74/26/711967426.db2.gz BQWZHGDGKSWDAQ-NSHDSACASA-N 1 0 208.305 0.808 20 30 BCEDRO N#CCCC[C@@H]([NH3+])C(=O)N[C@@H]1C=CCC1 ZINC000700562566 711996250 /nfs/dbraw/zinc/99/62/50/711996250.db2.gz OSBPEXDYFKHGHY-NXEZZACHSA-N 1 0 207.277 0.842 20 30 BCEDRO C=CC(C)(C)CCNC(=O)[C@H](C[NH3+])OC ZINC000701842834 712031287 /nfs/dbraw/zinc/03/12/87/712031287.db2.gz SHTZTUYSFBVFTB-VIFPVBQESA-N 1 0 214.309 0.679 20 30 BCEDRO CC[C@H](C#N)C(=O)N1CC[C@H]([NH+]2CCC2)C1 ZINC000702295163 712043329 /nfs/dbraw/zinc/04/33/29/712043329.db2.gz GEVFPVBDBWQILT-MNOVXSKESA-N 1 0 221.304 0.843 20 30 BCEDRO C#CCCCCC(=O)NC[C@@]1(O)CC[N@@H+](C)C1 ZINC000702627459 712057483 /nfs/dbraw/zinc/05/74/83/712057483.db2.gz SAMVTKFNAKUXPT-ZDUSSCGKSA-N 1 0 238.331 0.363 20 30 BCEDRO C=CC[C@@H]1CCN(C(=O)[C@@H](N)C[NH+](C)C)C1 ZINC000703674224 712082750 /nfs/dbraw/zinc/08/27/50/712082750.db2.gz LZJOBJYUJGSVDM-MNOVXSKESA-N 1 0 225.336 0.300 20 30 BCEDRO C=CC[NH2+][C@@H]1COCCC1(OC)OC ZINC000704684369 712113144 /nfs/dbraw/zinc/11/31/44/712113144.db2.gz BDZQPAITRZBWGS-SECBINFHSA-N 1 0 201.266 0.540 20 30 BCEDRO C[C@H]([NH3+])CCNC(=O)Cc1ccc(C#N)cc1 ZINC000704665987 712113755 /nfs/dbraw/zinc/11/37/55/712113755.db2.gz SOWOWUVTRFHGSR-JTQLQIEISA-N 1 0 231.299 0.954 20 30 BCEDRO C#CC1(O)CC[NH+](C[C@@](C)(O)CC)CC1 ZINC000708152776 712183514 /nfs/dbraw/zinc/18/35/14/712183514.db2.gz VTHYKLAYBZNOPS-NSHDSACASA-N 1 0 211.305 0.608 20 30 BCEDRO C=C[C@H](C(=O)OC)N(C)[C@@H]1CCC[C@H]1O ZINC000708767140 712198725 /nfs/dbraw/zinc/19/87/25/712198725.db2.gz OCXHHIQEZXJEHJ-OPRDCNLKSA-N 1 0 213.277 0.559 20 30 BCEDRO C#C[C@@H]1CCC[N@@H+](C[C@](C)(O)C(=O)OC)C1 ZINC000709532638 712223722 /nfs/dbraw/zinc/22/37/22/712223722.db2.gz BOQLDPHSLAEENK-PWSUYJOCSA-N 1 0 225.288 0.256 20 30 BCEDRO C=CCOCCNC(=O)[C@H]1CC[C@H]([NH3+])CC1 ZINC000710958660 712268337 /nfs/dbraw/zinc/26/83/37/712268337.db2.gz WIOOEGRRJLEUGL-XYPYZODXSA-N 1 0 226.320 0.823 20 30 BCEDRO C=CCNC(=O)C[NH2+][C@@H]1CCC1(OC)OC ZINC000710966437 712269664 /nfs/dbraw/zinc/26/96/64/712269664.db2.gz KEOCILJQXYVJBC-SECBINFHSA-N 1 0 228.292 0.030 20 30 BCEDRO C=CC[C@H](CO)[NH2+][C@H]1CCC1(OC)OC ZINC000710962003 712268990 /nfs/dbraw/zinc/26/89/90/712268990.db2.gz RVKFMTXTKDJXOD-ZJUUUORDSA-N 1 0 215.293 0.665 20 30 BCEDRO C#CCCS(=O)(=O)NC[C@H](C)[N@H+](C)C1CC1 ZINC000711064904 712278286 /nfs/dbraw/zinc/27/82/86/712278286.db2.gz HSQQDXBZZGEVTR-JTQLQIEISA-N 1 0 244.360 0.412 20 30 BCEDRO C=CCOCCCNC(=O)[C@@H]1C[NH2+]CC1(C)C ZINC000711304408 712293672 /nfs/dbraw/zinc/29/36/72/712293672.db2.gz TVMWQDPGXCFERV-NSHDSACASA-N 1 0 240.347 0.941 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCOC1(C)C ZINC000378860077 712363245 /nfs/dbraw/zinc/36/32/45/712363245.db2.gz OEEOKKDWRCHFMN-SNVBAGLBSA-N 1 0 247.360 0.744 20 30 BCEDRO C=C(CC)CN(C)CCS(C)(=O)=O ZINC000379391225 712381313 /nfs/dbraw/zinc/38/13/13/712381313.db2.gz PFNSUELCIHWZDQ-UHFFFAOYSA-N 1 0 205.323 0.929 20 30 BCEDRO N#C[C@@H]1C[NH2+]C[C@@H]1NC(=O)c1ccco1 ZINC000379425877 712384537 /nfs/dbraw/zinc/38/45/37/712384537.db2.gz BYZRNRIXCUZFAK-SFYZADRCSA-N 1 0 205.217 0.121 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@@H]1NC(=O)c1ccco1 ZINC000379425878 712384596 /nfs/dbraw/zinc/38/45/96/712384596.db2.gz BYZRNRIXCUZFAK-YUMQZZPRSA-N 1 0 205.217 0.121 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CC[C@@H]1C ZINC000379648040 712391643 /nfs/dbraw/zinc/39/16/43/712391643.db2.gz BIRYVOCIIQNGAJ-VHSXEESVSA-N 1 0 217.334 0.975 20 30 BCEDRO COC(=O)[C@H]1CC[N@H+](CCO[C@@H](C)C#N)C1 ZINC000390425365 712416978 /nfs/dbraw/zinc/41/69/78/712416978.db2.gz VJWCEQHSAOSXOZ-UWVGGRQHSA-N 1 0 226.276 0.410 20 30 BCEDRO Cc1nc(C#N)cc(NC[C@H]2CC[N@H+]2C)n1 ZINC000712579257 712432856 /nfs/dbraw/zinc/43/28/56/712432856.db2.gz DDPKGRKILDHRNX-SNVBAGLBSA-N 1 0 217.276 0.773 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNc1ncncc1C#N ZINC000712571487 712447379 /nfs/dbraw/zinc/44/73/79/712447379.db2.gz YAWOHJQECZGPAT-JTQLQIEISA-N 1 0 217.276 0.276 20 30 BCEDRO C#CCN(CC#N)C(=O)C12CC[NH+](CC1)C2 ZINC000715824919 712534159 /nfs/dbraw/zinc/53/41/59/712534159.db2.gz PLLSULRIQKOXRT-UHFFFAOYSA-N 1 0 217.272 0.068 20 30 BCEDRO C#CC[N@@H+](C)CCCN[C@H](C)c1cn(C)nn1 ZINC000715874508 712538097 /nfs/dbraw/zinc/53/80/97/712538097.db2.gz BDXOOXHHOLTRHT-LLVKDONJSA-N 1 0 235.335 0.421 20 30 BCEDRO C=CCC[NH2+]C1CC(S(C)(=O)=O)C1 ZINC000716120525 712550746 /nfs/dbraw/zinc/55/07/46/712550746.db2.gz KFYPUSFLZWLVSQ-UHFFFAOYSA-N 1 0 203.307 0.728 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]C1CCN(C)CC1 ZINC000716930062 712596556 /nfs/dbraw/zinc/59/65/56/712596556.db2.gz XGQJJFPWLMGFDZ-LBPRGKRZSA-N 1 0 210.321 0.709 20 30 BCEDRO C#CC[C@@H](COC)[NH2+]Cc1ccnn1C ZINC000716928753 712596443 /nfs/dbraw/zinc/59/64/43/712596443.db2.gz NHECTOHOXGGLDN-JTQLQIEISA-N 1 0 207.277 0.548 20 30 BCEDRO C#CCCN(CCOC)CC(=O)NC(C)(C)C ZINC000852752206 712612894 /nfs/dbraw/zinc/61/28/94/712612894.db2.gz XBHYXMFBALJYPV-UHFFFAOYSA-N 1 0 240.347 0.873 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@](C)(O)C(C)=O)CC1 ZINC000880484281 712633310 /nfs/dbraw/zinc/63/33/10/712633310.db2.gz SXNXDWHDGNUWHT-LBPRGKRZSA-N 1 0 239.315 0.177 20 30 BCEDRO C#CCC1(O)CC[NH+](C[C@@](C)(O)C(C)=O)CC1 ZINC000880484280 712633442 /nfs/dbraw/zinc/63/34/42/712633442.db2.gz SXNXDWHDGNUWHT-GFCCVEGCSA-N 1 0 239.315 0.177 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@H]1CC2(CO1)CCOCC2 ZINC000717462220 712659518 /nfs/dbraw/zinc/65/95/18/712659518.db2.gz XRHWIFDDKZKJTK-VXGBXAGGSA-N 1 0 241.331 0.709 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1C[C@@H](C)O[C@H]1C ZINC000717698066 712665369 /nfs/dbraw/zinc/66/53/69/712665369.db2.gz BDEPOSZKSZXFSW-WRWGMCAJSA-N 1 0 211.305 0.916 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]CC1(OC)CCCC1 ZINC000717709668 712666251 /nfs/dbraw/zinc/66/62/51/712666251.db2.gz JPZKAKMFNCHRHY-NSHDSACASA-N 1 0 211.305 0.919 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(CO)cc1 ZINC000717726241 712667445 /nfs/dbraw/zinc/66/74/45/712667445.db2.gz BBTCGPTWBRXTDF-ZDUSSCGKSA-N 1 0 219.284 0.653 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1ccc(OC)c(O)c1 ZINC000717748880 712669071 /nfs/dbraw/zinc/66/90/71/712669071.db2.gz JWUTZKHFTYRYFV-NSHDSACASA-N 1 0 235.283 0.875 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]Cc1cc(C)nn1C ZINC000717732097 712668159 /nfs/dbraw/zinc/66/81/59/712668159.db2.gz GNFGDPFNZOLKPM-NSHDSACASA-N 1 0 221.304 0.592 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]CC[C@@H]1CCOC1 ZINC000717762461 712674428 /nfs/dbraw/zinc/67/44/28/712674428.db2.gz BJPDLGOAONLUIN-VXGBXAGGSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CC[C@H](CO)[NH2+]C[C@@H](O)c1cccc(F)c1 ZINC000717785185 712676054 /nfs/dbraw/zinc/67/60/54/712676054.db2.gz BUCDMXQHNKEJAS-CHWSQXEVSA-N 1 0 237.274 0.833 20 30 BCEDRO C#CCC[C@@H](O)C[NH2+]C[C@H](O)COCC(C)C ZINC000717894536 712731805 /nfs/dbraw/zinc/73/18/05/712731805.db2.gz FERLUTDAULLQHL-OLZOCXBDSA-N 1 0 243.347 0.384 20 30 BCEDRO C=CC[C@@H](C)NC(=O)c1c(C[NH3+])cnn1C ZINC000719255457 712802078 /nfs/dbraw/zinc/80/20/78/712802078.db2.gz DJTVQJSPFCIYDZ-MRVPVSSYSA-N 1 0 222.292 0.573 20 30 BCEDRO C[C@H]1[C@H](Nc2ccnc(C#N)c2)CC[N@@H+]1C ZINC000719604363 712815797 /nfs/dbraw/zinc/81/57/97/712815797.db2.gz UZGAKNLELLHSHW-JOYOIKCWSA-N 1 0 216.288 0.880 20 30 BCEDRO C[C@H]1[C@@H](Nc2nccnc2C#N)CC[N@@H+]1C ZINC000719604454 712816049 /nfs/dbraw/zinc/81/60/49/712816049.db2.gz VSWNNPNBXVKNOV-IUCAKERBSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@@H]1[C@@H](Nc2cc(C#N)cnn2)CC[N@@H+]1C ZINC000719772561 712824202 /nfs/dbraw/zinc/82/42/02/712824202.db2.gz BEJMHYSITUXQKL-SCZZXKLOSA-N 1 0 217.276 0.853 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H](C)CCOC ZINC000380325919 712886519 /nfs/dbraw/zinc/88/65/19/712886519.db2.gz MBFRYQGLWQCUKN-JTQLQIEISA-N 1 0 235.349 0.602 20 30 BCEDRO C=CCS(=O)(=O)CC[NH2+][C@@H]1CCOC[C@H]1C ZINC000381355080 710627104 /nfs/dbraw/zinc/62/71/04/710627104.db2.gz CFIRFOVZHTWTRP-GHMZBOCLSA-N 1 0 247.360 0.602 20 30 BCEDRO C#C[C@H]([NH2+]CCCS(C)(=O)=O)[C@H]1CCCO1 ZINC000381358505 710628602 /nfs/dbraw/zinc/62/86/02/710628602.db2.gz DYCBMDJROGQFQI-WDEREUQCSA-N 1 0 245.344 0.192 20 30 BCEDRO C#C[C@@H]([NH2+]CCC(=O)N(C)C)[C@H]1CCCO1 ZINC000381504629 710647246 /nfs/dbraw/zinc/64/72/46/710647246.db2.gz JGGKJUWNADVLLU-GHMZBOCLSA-N 1 0 224.304 0.235 20 30 BCEDRO C#C[C@@H]([NH2+]CCn1cncn1)[C@@H]1CCCO1 ZINC000381542216 710652780 /nfs/dbraw/zinc/65/27/80/710652780.db2.gz JCYGEIUZVUHHSS-MNOVXSKESA-N 1 0 220.276 0.049 20 30 BCEDRO CON=CC(=O)N1CCC[C@H]([NH2+]C(C)C)C1 ZINC000381549704 710653597 /nfs/dbraw/zinc/65/35/97/710653597.db2.gz MAQDZTJBHVQBOZ-JTQLQIEISA-N 1 0 227.308 0.608 20 30 BCEDRO C=CC[C@H](CO)CNc1cc(C)[nH+]c(N)n1 ZINC000381595255 710660021 /nfs/dbraw/zinc/66/00/21/710660021.db2.gz FFDPQTCSJUTSCP-VIFPVBQESA-N 1 0 222.292 0.216 20 30 BCEDRO C#C[C@@H](NCc1ccn(C)n1)[C@@H]1CCCO1 ZINC000381602288 710660921 /nfs/dbraw/zinc/66/09/21/710660921.db2.gz OMFHRPZNWIITCJ-NEPJUHHUSA-N 1 0 219.288 0.691 20 30 BCEDRO C=CCN1CC[C@@H]1CNC(=O)[C@@H]1CCCO1 ZINC001038029373 712899639 /nfs/dbraw/zinc/89/96/39/712899639.db2.gz ZPDGBSOXGMRDRS-MNOVXSKESA-N 1 0 224.304 0.542 20 30 BCEDRO C#CCC[N@H+]1CC[C@@H]1CNC(=O)c1cn(C)cn1 ZINC001038163483 710677240 /nfs/dbraw/zinc/67/72/40/710677240.db2.gz JJXQOPBGJTZGPX-LLVKDONJSA-N 1 0 246.314 0.248 20 30 BCEDRO CC#CCN1CC[C@@H]1CNC(=O)c1n[nH]cc1C ZINC001038242661 710679914 /nfs/dbraw/zinc/67/99/14/710679914.db2.gz BZRDDFKFXOQMIT-LLVKDONJSA-N 1 0 246.314 0.546 20 30 BCEDRO C#CCN1CC[C@H]1CNC(=O)[C@H]1CCCC[N@H+]1C ZINC001038416771 710685500 /nfs/dbraw/zinc/68/55/00/710685500.db2.gz LLMFEHUMMGUXDL-QWHCGFSZSA-N 1 0 249.358 0.294 20 30 BCEDRO CN(CCC#N)C(=O)CC[N@@H+]1C[C@@H]2C[C@@H]2C1 ZINC000380379479 712900176 /nfs/dbraw/zinc/90/01/76/712900176.db2.gz MPNHJAVQIKCHFC-PHIMTYICSA-N 1 0 221.304 0.700 20 30 BCEDRO C#C[C@@H]([NH2+]CCCC(=O)OC)[C@H]1CCCO1 ZINC000381758737 710703363 /nfs/dbraw/zinc/70/33/63/710703363.db2.gz SXYPMDQCFXSEDM-GHMZBOCLSA-N 1 0 225.288 0.710 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)c1nc(C)c[nH]1 ZINC001038793225 710706937 /nfs/dbraw/zinc/70/69/37/710706937.db2.gz RNCXSKGKTRYMLG-JTQLQIEISA-N 1 0 234.303 0.708 20 30 BCEDRO C#CCC[NH2+][C@@]1(CC(=O)OC)CCCOC1 ZINC000381775356 710710613 /nfs/dbraw/zinc/71/06/13/710710613.db2.gz WVQFXQHNWQPTNC-GFCCVEGCSA-N 1 0 225.288 0.712 20 30 BCEDRO COC[C@H](C)N[NH+]=C(C)c1ccc(N)nc1 ZINC000382108456 710785656 /nfs/dbraw/zinc/78/56/56/710785656.db2.gz JJRDJDWQJZBVOI-QMMMGPOBSA-N 1 0 222.292 0.843 20 30 BCEDRO C#CCN1CC(N(C)C(=O)[C@H]2CCCC[N@@H+]2C)C1 ZINC001043094640 710803100 /nfs/dbraw/zinc/80/31/00/710803100.db2.gz ANMAIGJORVMWFJ-CYBMUJFWSA-N 1 0 249.358 0.247 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]C[C@H](O)CC(=O)OCC ZINC000384179880 710806062 /nfs/dbraw/zinc/80/60/62/710806062.db2.gz PQXLWEPPKJQGKY-PWSUYJOCSA-N 1 0 227.304 0.692 20 30 BCEDRO COc1ccc2c(c1)CCC2=NNC(N)=[NH2+] ZINC000384196562 710821898 /nfs/dbraw/zinc/82/18/98/710821898.db2.gz XNLXUCIHAAPXLB-UHFFFAOYSA-N 1 0 218.260 0.829 20 30 BCEDRO C=CCN1CC(N(C)C(=O)[C@H]2CC[N@H+](C)C2)C1 ZINC001044294183 710822757 /nfs/dbraw/zinc/82/27/57/710822757.db2.gz SAZFOJXYZUECQM-NSHDSACASA-N 1 0 237.347 0.267 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C2CC2)[C@@H](C)C1 ZINC001044401898 710824305 /nfs/dbraw/zinc/82/43/05/710824305.db2.gz QNPSLESTJKWGBZ-JQWIXIFHSA-N 1 0 220.316 0.999 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)CSC)[C@H](C)C1 ZINC001044446208 710826624 /nfs/dbraw/zinc/82/66/24/710826624.db2.gz JBMYGQLQIFTYCU-GHMZBOCLSA-N 1 0 240.372 0.952 20 30 BCEDRO C#CCN1CC[C@@](C)(NC(=O)c2cn(C)cn2)C1 ZINC001046240154 710857550 /nfs/dbraw/zinc/85/75/50/710857550.db2.gz YCCKAKJKPQUFBB-CYBMUJFWSA-N 1 0 246.314 0.248 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2ncc[nH]2)C1 ZINC001046301657 710858681 /nfs/dbraw/zinc/85/86/81/710858681.db2.gz SULSKIDQNNLSIC-LBPRGKRZSA-N 1 0 234.303 0.790 20 30 BCEDRO C=CC[N@H+]1CC[C@](C)(NC(=O)c2ccnnc2)C1 ZINC001046650566 710863422 /nfs/dbraw/zinc/86/34/22/710863422.db2.gz MUJHXWCGEJEEQU-ZDUSSCGKSA-N 1 0 246.314 0.857 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H]3C[C@@H]3C)C[C@H]2C1 ZINC001048656286 710884665 /nfs/dbraw/zinc/88/46/65/710884665.db2.gz CBBXAEGTTITMIU-RVMXOQNASA-N 1 0 232.327 0.666 20 30 BCEDRO C#CC[N@@H+]1C[C@H]2CN(C(=O)[C@H](C)OC)C[C@H]2C1 ZINC001048710336 710887348 /nfs/dbraw/zinc/88/73/48/710887348.db2.gz ZRWHAIYCGSKOHF-SDDRHHMPSA-N 1 0 236.315 0.045 20 30 BCEDRO C[C@@H](C#N)C(=O)N1C[C@@H]2C[N@@H+](CC3CC3)C[C@@H]2C1 ZINC001048726248 710887668 /nfs/dbraw/zinc/88/76/68/710887668.db2.gz AWCRDKCQZFQQAX-WCFLWFBJSA-N 1 0 247.342 0.946 20 30 BCEDRO C#CCCC[NH2+][C@@H]1CCO[C@]12CCOC2 ZINC000903103429 710891614 /nfs/dbraw/zinc/89/16/14/710891614.db2.gz HVFIUVCYBPAWQC-NEPJUHHUSA-N 1 0 209.289 0.937 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCCN(C(C)=O)[C@@H]2C1 ZINC001049936719 710904788 /nfs/dbraw/zinc/90/47/88/710904788.db2.gz WYKPNSDZDTZHHG-NWDGAFQWSA-N 1 0 206.289 0.562 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)CC2CC2)C[C@H]1C ZINC001054324551 710928515 /nfs/dbraw/zinc/92/85/15/710928515.db2.gz OZSOJFGTSNZBIS-ZYHUDNBSSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2cccnc2)C[C@H]1C ZINC001054328012 710929540 /nfs/dbraw/zinc/92/95/40/710929540.db2.gz AYUPWHBYBNKFKL-YPMHNXCESA-N 1 0 243.310 0.765 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccccn2)C[C@H]1C ZINC001054326505 710929583 /nfs/dbraw/zinc/92/95/83/710929583.db2.gz PHISVUYGENBJNM-DGCLKSJQSA-N 1 0 243.310 0.765 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)CSC)C[C@H]1C ZINC001054360868 710931895 /nfs/dbraw/zinc/93/18/95/710931895.db2.gz IESDQDDSFVPUPU-ZJUUUORDSA-N 1 0 226.345 0.419 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C2=COCCC2)C[C@H]1C ZINC001054461837 710935257 /nfs/dbraw/zinc/93/52/57/710935257.db2.gz FTAYYUDGMHLOAA-YPMHNXCESA-N 1 0 248.326 0.750 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@@H]1C ZINC001054502577 710935958 /nfs/dbraw/zinc/93/59/58/710935958.db2.gz UHJIBFVRGHGQEE-JQWIXIFHSA-N 1 0 248.330 0.575 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)Cc2cc[nH]n2)C[C@H]1C ZINC001054498794 710936062 /nfs/dbraw/zinc/93/60/62/710936062.db2.gz DNQDLOUGTCSJMX-PWSUYJOCSA-N 1 0 246.314 0.022 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2c[nH]c(C)n2)C[C@@H]1C ZINC001054488116 710936095 /nfs/dbraw/zinc/93/60/95/710936095.db2.gz OZNWNUSFVOMQFP-CABZTGNLSA-N 1 0 248.330 0.954 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cocn2)C[C@H]1C ZINC001054469063 710936267 /nfs/dbraw/zinc/93/62/67/710936267.db2.gz DEGKOLAGTWIFDK-NXEZZACHSA-N 1 0 233.271 0.358 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ocnc2C)C[C@@H]1C ZINC001054536363 710937556 /nfs/dbraw/zinc/93/75/56/710937556.db2.gz ZPRRHUQKIGPTSA-GXSJLCMTSA-N 1 0 247.298 0.666 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccn(C)c2)C[C@H]1C ZINC001054565331 710938641 /nfs/dbraw/zinc/93/86/41/710938641.db2.gz MLRYCHGDRREPBH-YPMHNXCESA-N 1 0 245.326 0.708 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2ccn(C)c2)C[C@@H]1C ZINC001054565326 710938679 /nfs/dbraw/zinc/93/86/79/710938679.db2.gz MLRYCHGDRREPBH-WCQYABFASA-N 1 0 245.326 0.708 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)CC(C)(C)O)C[C@@H]1C ZINC001054624214 710939057 /nfs/dbraw/zinc/93/90/57/710939057.db2.gz TYQJIAGXUBDESU-QWRGUYRKSA-N 1 0 238.331 0.217 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2coc(C)n2)C[C@H]1C ZINC001054588516 710939242 /nfs/dbraw/zinc/93/92/42/710939242.db2.gz QXBRHIPZOXOUFS-MWLCHTKSSA-N 1 0 247.298 0.666 20 30 BCEDRO C=CC[NH2+][C@H]1CN(C(=O)c2ncn(C)n2)C[C@H]1C ZINC001054620647 710939251 /nfs/dbraw/zinc/93/92/51/710939251.db2.gz QLJGKWSTNIKJIR-ZJUUUORDSA-N 1 0 249.318 0.051 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C2=CCOCC2)C[C@@H]1C ZINC001054603454 710939267 /nfs/dbraw/zinc/93/92/67/710939267.db2.gz HFNWQQZESGKUKV-AAEUAGOBSA-N 1 0 248.326 0.403 20 30 BCEDRO CC[NH2+][C@H]1CN(C(=O)C#CC2CC2)C[C@@H]1C ZINC001054646717 710940792 /nfs/dbraw/zinc/94/07/92/710940792.db2.gz AKYWWSLQJHZMNV-JQWIXIFHSA-N 1 0 220.316 0.856 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cncn2C)C[C@@H]1C ZINC001054867584 710942220 /nfs/dbraw/zinc/94/22/20/710942220.db2.gz ZJRKKUYKXCKNPM-WDEREUQCSA-N 1 0 246.314 0.103 20 30 BCEDRO C#CC[NH2+][C@@H]1CN(C(=O)c2cc(F)c[nH]2)C[C@@H]1C ZINC001054919251 710942490 /nfs/dbraw/zinc/94/24/90/710942490.db2.gz IHFPQALNSGQCBD-JOYOIKCWSA-N 1 0 249.289 0.837 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)Cc2cnoc2)C[C@H]1C ZINC001054998267 710944205 /nfs/dbraw/zinc/94/42/05/710944205.db2.gz YSQJOUMSOGBMJH-PWSUYJOCSA-N 1 0 247.298 0.287 20 30 BCEDRO CC#CC[NH+]1CCC2(CN(C(C)=O)C2)CC1 ZINC001050400009 710953206 /nfs/dbraw/zinc/95/32/06/710953206.db2.gz ZPLKXKLFBBLSNB-UHFFFAOYSA-N 1 0 220.316 0.954 20 30 BCEDRO CC(C)[NH2+]C[C@@H]1CN(C(=O)[C@H](C)C#N)CCO1 ZINC001051488613 710957967 /nfs/dbraw/zinc/95/79/67/710957967.db2.gz PDLAURQFMFBXGU-GHMZBOCLSA-N 1 0 239.319 0.371 20 30 BCEDRO C#CC[N@H+]1CCC[C@@H](NC(=O)c2cn[nH]c2)CC1 ZINC001052228375 710963986 /nfs/dbraw/zinc/96/39/86/710963986.db2.gz APUXDSGSNYBCBO-GFCCVEGCSA-N 1 0 246.314 0.627 20 30 BCEDRO C=C(C)C[N@H+](CC)CCS(N)(=O)=O ZINC000388368134 711058804 /nfs/dbraw/zinc/05/88/04/711058804.db2.gz WGKYGALTNZLBSH-UHFFFAOYSA-N 1 0 206.311 0.173 20 30 BCEDRO C#CCCC[NH2+]C[C@H](O)CCC(=O)OCC ZINC000385428289 711013565 /nfs/dbraw/zinc/01/35/65/711013565.db2.gz MIRAXSCIBKNAIN-LLVKDONJSA-N 1 0 227.304 0.694 20 30 BCEDRO C[C@@H](C#N)OCC[NH2+][C@@H](CO)C(C)(C)C ZINC000389687787 711086473 /nfs/dbraw/zinc/08/64/73/711086473.db2.gz GWDAZLMYNHTLIY-UWVGGRQHSA-N 1 0 214.309 0.912 20 30 BCEDRO COCC(=NNC(N)=[NH2+])c1ccccc1 ZINC000389674603 711086947 /nfs/dbraw/zinc/08/69/47/711086947.db2.gz ARUGWSIUXLXZGO-UHFFFAOYSA-N 1 0 206.249 0.520 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(N(C)C)cc1 ZINC000390051509 711105034 /nfs/dbraw/zinc/10/50/34/711105034.db2.gz VBAVUJVITOLCFI-UHFFFAOYSA-N 1 0 219.292 0.960 20 30 BCEDRO CC1(C(=O)N[C@H]2C[NH2+]C[C@@H]2C#N)CCC1 ZINC000390755255 711132187 /nfs/dbraw/zinc/13/21/87/711132187.db2.gz GXABJARWQQMHSB-IUCAKERBSA-N 1 0 207.277 0.404 20 30 BCEDRO CSC[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@H]1C#N ZINC000390778932 711133655 /nfs/dbraw/zinc/13/36/55/711133655.db2.gz HRPAZPWCQJCLTN-YIZRAAEISA-N 1 0 227.333 0.213 20 30 BCEDRO CSC[C@H](C)C(=O)N[C@H]1C[NH2+]C[C@@H]1C#N ZINC000390778927 711133894 /nfs/dbraw/zinc/13/38/94/711133894.db2.gz HRPAZPWCQJCLTN-CIUDSAMLSA-N 1 0 227.333 0.213 20 30 BCEDRO CCNC(NCc1nnc(C)s1)=[NH+]CC ZINC000392210312 711142845 /nfs/dbraw/zinc/14/28/45/711142845.db2.gz NJQOWUHFGXDTHQ-UHFFFAOYSA-N 1 0 227.337 0.922 20 30 BCEDRO C#CCN(C)CCC[NH2+]C1CC(OC)C1 ZINC000392823407 711152550 /nfs/dbraw/zinc/15/25/50/711152550.db2.gz JCXJUVODTVHGRG-UHFFFAOYSA-N 1 0 210.321 0.709 20 30 BCEDRO C=CCNN=C1CCCc2nc(N)ncc21 ZINC000393437157 711159510 /nfs/dbraw/zinc/15/95/10/711159510.db2.gz LMAMRCARQSWJCF-UHFFFAOYSA-N 1 0 217.276 0.705 20 30 BCEDRO C#CC[N@H+]1CC[C@]2(C1)CN(C(C)=O)C[C@H](C)O2 ZINC001071107822 711166765 /nfs/dbraw/zinc/16/67/65/711166765.db2.gz ONXRJDUFZYRAMF-AAEUAGOBSA-N 1 0 236.315 0.331 20 30 BCEDRO C=CCNC(=O)C[NH2+]Cc1ccc(O)c(F)c1 ZINC000393831339 711176725 /nfs/dbraw/zinc/17/67/25/711176725.db2.gz JOCAKVHSSZQRCQ-UHFFFAOYSA-N 1 0 238.262 0.923 20 30 BCEDRO C#CCC[N@H+]1C[C@H](NC(C)=O)CC[C@H]1C ZINC001071285976 711184115 /nfs/dbraw/zinc/18/41/15/711184115.db2.gz NYBKXBBPUHGACO-ZYHUDNBSSA-N 1 0 208.305 0.999 20 30 BCEDRO CC#CC[N@@H+]1C[C@@H](NC(C)=O)CC[C@@H]1C ZINC001071289786 711186270 /nfs/dbraw/zinc/18/62/70/711186270.db2.gz XJJSFZFWYMTXKL-JQWIXIFHSA-N 1 0 208.305 0.999 20 30 BCEDRO CNC(NCC1(O)CCCCCC1)=[NH+]C ZINC000395096114 711201775 /nfs/dbraw/zinc/20/17/75/711201775.db2.gz CHFPWLQANGJBKI-UHFFFAOYSA-N 1 0 213.325 0.867 20 30 BCEDRO CC[C@H](C)[C@H](CNC(NC)=[NH+]C)OC ZINC000395135151 711203125 /nfs/dbraw/zinc/20/31/25/711203125.db2.gz CKBBNRVABSKZPF-IUCAKERBSA-N 1 0 201.314 0.842 20 30 BCEDRO CCNC(NCC(=O)N(CC)CC)=[NH+]CC ZINC000395561560 711213699 /nfs/dbraw/zinc/21/36/99/711213699.db2.gz GJEINGOPJRPUDT-UHFFFAOYSA-N 1 0 228.340 0.430 20 30 BCEDRO CCNC(NC[C@@H](CC)CCO)=[NH+]CC ZINC000395795137 711215631 /nfs/dbraw/zinc/21/56/31/711215631.db2.gz BVHYNVUSZCVAIM-JTQLQIEISA-N 1 0 215.341 0.970 20 30 BCEDRO CCNC(NC[C@H](CC)CCO)=[NH+]CC ZINC000395795139 711216191 /nfs/dbraw/zinc/21/61/91/711216191.db2.gz BVHYNVUSZCVAIM-SNVBAGLBSA-N 1 0 215.341 0.970 20 30 BCEDRO C[C@@H]1C[NH+]=C(NCCCOC(F)F)N1 ZINC000398260181 711406780 /nfs/dbraw/zinc/40/67/80/711406780.db2.gz OHKYKYOXBFDORU-ZCFIWIBFSA-N 1 0 207.224 0.553 20 30 BCEDRO C=C(Cl)CNC(=O)[C@H]([NH3+])C1CCC1 ZINC000399144769 711421847 /nfs/dbraw/zinc/42/18/47/711421847.db2.gz WLSMJOJQJNCOON-MRVPVSSYSA-N 1 0 202.685 0.983 20 30 BCEDRO C=C(C)C[N@@H+]1CCCO[C@H](CNC(C)=O)C1 ZINC001073501193 711440387 /nfs/dbraw/zinc/44/03/87/711440387.db2.gz BIQXHEBSVZINFV-GFCCVEGCSA-N 1 0 226.320 0.790 20 30 BCEDRO C=CC[N@@H+]1CC[C@@H](NC(=O)c2ccc(C#N)[nH]2)C1 ZINC001010649437 710594012 /nfs/dbraw/zinc/59/40/12/710594012.db2.gz HDYZAVVRBOKPHQ-LLVKDONJSA-N 1 0 244.298 0.876 20 30 BCEDRO C=CCN1CC[C@H]1CNC(=O)c1cnc(C)n1C ZINC001038633055 710610606 /nfs/dbraw/zinc/61/06/06/710610606.db2.gz FFHVBRHYZJIKDL-NSHDSACASA-N 1 0 248.330 0.719 20 30 BCEDRO C#C[C@@H]([NH2+]CCCS(C)(=O)=O)[C@@H]1CCCO1 ZINC000381358499 710628470 /nfs/dbraw/zinc/62/84/70/710628470.db2.gz DYCBMDJROGQFQI-MNOVXSKESA-N 1 0 245.344 0.192 20 30 BCEDRO C=CC[NH2+][C@H]1CCN(C(=O)CCc2nnc[nH]2)C1 ZINC001018685669 710667240 /nfs/dbraw/zinc/66/72/40/710667240.db2.gz ULJMIEKMWAIDFN-JTQLQIEISA-N 1 0 249.318 0.114 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@H](NC(=O)c2cnns2)C1 ZINC001020005027 710673140 /nfs/dbraw/zinc/67/31/40/710673140.db2.gz DTLFRTIJXGBAMS-ZKCHVHJHSA-N 1 0 238.316 0.575 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](NC(=O)C[C@@H]2CCCO2)C1 ZINC001020003601 710673489 /nfs/dbraw/zinc/67/34/89/710673489.db2.gz LGAOTMRKFBFBRU-SRVKXCTJSA-N 1 0 236.315 0.426 20 30 BCEDRO C#CCC[N@H+]1CC[C@H]1CNC(=O)[C@H]1[C@@H]2COC[C@@H]21 ZINC001038607989 710699391 /nfs/dbraw/zinc/69/93/91/710699391.db2.gz NUFLHYUPODPJRH-WUHRBBMRSA-N 1 0 248.326 0.093 20 30 BCEDRO C#CCN1CC[C@@H]1CNC(=O)C1CC[NH+](C)CC1 ZINC001038655762 710699530 /nfs/dbraw/zinc/69/95/30/710699530.db2.gz BOAHQPRDGRXAQX-CYBMUJFWSA-N 1 0 249.358 0.152 20 30 BCEDRO C#C[C@@](C)(CC)[NH2+]CCS(C)(=O)=O ZINC000384183047 710806566 /nfs/dbraw/zinc/80/65/66/710806566.db2.gz QYLJOWPWGKCMBT-VIFPVBQESA-N 1 0 203.307 0.423 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2cn[nH]n2)[C@@H](C)C1 ZINC001044655878 710828906 /nfs/dbraw/zinc/82/89/06/710828906.db2.gz FHNZZORXAWQOPR-UWVGGRQHSA-N 1 0 247.302 0.021 20 30 BCEDRO C#CC[NH2+][C@@H]1CCN(C(=O)c2ncc[nH]2)[C@H](C)C1 ZINC001044587322 710828953 /nfs/dbraw/zinc/82/89/53/710828953.db2.gz FLIKXOXAOBAXNA-GHMZBOCLSA-N 1 0 246.314 0.626 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)[C@H](C)C1 ZINC001044587323 710829308 /nfs/dbraw/zinc/82/93/08/710829308.db2.gz FLIKXOXAOBAXNA-MNOVXSKESA-N 1 0 246.314 0.626 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@@H](O)CN1CCOCC1 ZINC000384227086 710836088 /nfs/dbraw/zinc/83/60/88/710836088.db2.gz VQRVGVBCRRWJLD-CHWSQXEVSA-N 1 0 240.347 0.071 20 30 BCEDRO C#C[C@](C)(CC)[NH2+]C[C@H](O)CN1CCOCC1 ZINC000384227088 710837123 /nfs/dbraw/zinc/83/71/23/710837123.db2.gz VQRVGVBCRRWJLD-QWHCGFSZSA-N 1 0 240.347 0.071 20 30 BCEDRO C#C[C@](C)(CC)NC[C@@H](O)C[NH+]1CCCC1 ZINC000384227107 710837337 /nfs/dbraw/zinc/83/73/37/710837337.db2.gz VRVIWPGYGAQIPN-CHWSQXEVSA-N 1 0 224.348 0.835 20 30 BCEDRO C#CC[N@H+]1CC[C@](C)(NC(=O)c2cc[nH]c2)C1 ZINC001046335229 710860152 /nfs/dbraw/zinc/86/01/52/710860152.db2.gz GMOVEKYNPMJJKN-ZDUSSCGKSA-N 1 0 231.299 0.842 20 30 BCEDRO C=CC[N@@H+]1CCC[C@@H](NC(=O)c2nnc[nH]2)CC1 ZINC001052800372 710917522 /nfs/dbraw/zinc/91/75/22/710917522.db2.gz IPVBRDQVAJNRPL-SNVBAGLBSA-N 1 0 249.318 0.575 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccon2)C[C@@H]1C ZINC001054430585 710933621 /nfs/dbraw/zinc/93/36/21/710933621.db2.gz QGWBGQSTIXLKGJ-ONGXEEELSA-N 1 0 233.271 0.358 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)c2ccon2)C[C@H]1C ZINC001054430583 710933778 /nfs/dbraw/zinc/93/37/78/710933778.db2.gz QGWBGQSTIXLKGJ-KOLCDFICSA-N 1 0 233.271 0.358 20 30 BCEDRO C=CC[NH2+][C@@H]1CN(C(=O)c2n[nH]nc2C)C[C@@H]1C ZINC001054963109 710942958 /nfs/dbraw/zinc/94/29/58/710942958.db2.gz WYUJKYFCWHYFND-WCBMZHEXSA-N 1 0 249.318 0.349 20 30 BCEDRO C#CCN(C)CCC[NH2+]Cc1ccnn1CC ZINC000383085762 710965913 /nfs/dbraw/zinc/96/59/13/710965913.db2.gz VLCDFAYLQUCBJL-UHFFFAOYSA-N 1 0 234.347 0.948 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CC[C@@H]2CCC[C@@H]21 ZINC000393268960 711155878 /nfs/dbraw/zinc/15/58/78/711155878.db2.gz ZBEGMZMQWJQXHW-QWRGUYRKSA-N 1 0 206.289 0.610 20 30 BCEDRO C#CCN1C[C@@H](NC(=O)c2ccn[nH]2)CC[C@@H]1C ZINC001071366648 711189967 /nfs/dbraw/zinc/18/99/67/711189967.db2.gz QVDNXSKLLXVTNG-QWRGUYRKSA-N 1 0 246.314 0.626 20 30 BCEDRO NC(=[NH2+])NN=Cc1cc2ccccc2[nH]1 ZINC000397081862 711376559 /nfs/dbraw/zinc/37/65/59/711376559.db2.gz SLFPJYVFAIGEKQ-UHFFFAOYSA-N 1 0 201.233 0.985 20 30 BCEDRO C#CC[N@H+]1CCC2(CN(C(=O)c3cocn3)C2)C1 ZINC001072532435 711380673 /nfs/dbraw/zinc/38/06/73/711380673.db2.gz KATJZFRJBFYHGI-UHFFFAOYSA-N 1 0 245.282 0.456 20 30 BCEDRO C=CC[N@H+]1CCC2(CN(C(=O)[C@H](C)C#N)C2)C1 ZINC001072558782 711381935 /nfs/dbraw/zinc/38/19/35/711381935.db2.gz BJUUUKSOONLZPM-LLVKDONJSA-N 1 0 233.315 0.866 20 30 BCEDRO C=CC[N@@H+]1CCCO[C@@H](CNC(C)=O)C1 ZINC001073499203 711440548 /nfs/dbraw/zinc/44/05/48/711440548.db2.gz GAHCOHFTMSTYHY-NSHDSACASA-N 1 0 212.293 0.399 20 30 BCEDRO C#CCC[N@H+]1CC[C@H](NC(=O)c2ocnc2C)C1 ZINC001010464978 711454512 /nfs/dbraw/zinc/45/45/12/711454512.db2.gz UCILENUUIIOMMI-NSHDSACASA-N 1 0 247.298 0.810 20 30 BCEDRO C[C@@H](C(=O)NCC#C[C@@H]1CCCCO1)[NH+](C)C ZINC000891113204 711483131 /nfs/dbraw/zinc/48/31/31/711483131.db2.gz VWQTUWJHFVTGFZ-RYUDHWBXSA-N 1 0 238.331 0.625 20 30 BCEDRO CCC1(CC)CNC(=O)[C@H]1[NH2+]CC#CCOC ZINC000933287959 711510672 /nfs/dbraw/zinc/51/06/72/711510672.db2.gz GUTZNBLSJPKYMS-LLVKDONJSA-N 1 0 238.331 0.531 20 30 BCEDRO C#CCC[NH2+][C@@H]1C(=O)NCC1(CC)CC ZINC000933287266 711510982 /nfs/dbraw/zinc/51/09/82/711510982.db2.gz WERHAVPXTBACPG-SNVBAGLBSA-N 1 0 208.305 0.904 20 30 BCEDRO C=CC[NH2+][C@H]1C[C@@H](NC(=O)c2n[nH]cc2C)C1 ZINC001022048358 711523044 /nfs/dbraw/zinc/52/30/44/711523044.db2.gz PTKWBDKFWAVSPG-AOOOYVTPSA-N 1 0 234.303 0.755 20 30 BCEDRO N#CC[C@@H](O)C[NH2+]C1([C@@H]2CCCCO2)CC1 ZINC000933376338 711528169 /nfs/dbraw/zinc/52/81/69/711528169.db2.gz RCNCLQWJIYVDIK-MNOVXSKESA-N 1 0 224.304 0.952 20 30 BCEDRO C=CCNC(=O)N1C[C@@H](C)[C@H](CC[NH3+])C1 ZINC000723890631 711543694 /nfs/dbraw/zinc/54/36/94/711543694.db2.gz GPNSBLBWKBNNCZ-NXEZZACHSA-N 1 0 211.309 0.799 20 30 BCEDRO C=CCC[N@@H+]1CC[C@@H]1CNC(=O)[C@H]1CCCO1 ZINC001038041394 711565935 /nfs/dbraw/zinc/56/59/35/711565935.db2.gz RZLFHFUPAYFZOW-VXGBXAGGSA-N 1 0 238.331 0.932 20 30 BCEDRO C=CC[C@@H]1CCN1CCS(C)(=O)=O ZINC000934469433 711587798 /nfs/dbraw/zinc/58/77/98/711587798.db2.gz BZFUYFGEJPUMJZ-SECBINFHSA-N 1 0 203.307 0.681 20 30 BCEDRO CC#CC[C@@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000717704581 711610612 /nfs/dbraw/zinc/61/06/12/711610612.db2.gz AKYDDNRTCVDUIG-NSHDSACASA-N 1 0 240.347 0.655 20 30 BCEDRO C#CCC[N@H+]1C[C@@H]2CCN(C(=O)CC)[C@@H]2C1 ZINC001075467490 711631860 /nfs/dbraw/zinc/63/18/60/711631860.db2.gz NINRZWSSLWHBCH-NWDGAFQWSA-N 1 0 220.316 0.952 20 30 BCEDRO C=CC[N@H+]1C[C@@H]2CCN(C(=O)C(F)F)[C@@H]2C1 ZINC001075471932 711644008 /nfs/dbraw/zinc/64/40/08/711644008.db2.gz DGSZYVRCXYSZGO-DTWKUNHWSA-N 1 0 230.258 0.970 20 30 BCEDRO CC(C)[C@@H](CO)[NH2+]CCOCCC#N ZINC000382318997 711665880 /nfs/dbraw/zinc/66/58/80/711665880.db2.gz SNNLRCMIXBPOPZ-SNVBAGLBSA-N 1 0 200.282 0.523 20 30 BCEDRO C#CC[N@H+]1C[C@@H]2CCN(C(=O)[C@H]3CCCO3)[C@@H]2C1 ZINC001075523962 711685571 /nfs/dbraw/zinc/68/55/71/711685571.db2.gz HYHVBXDJSFUPDZ-YNEHKIRRSA-N 1 0 248.326 0.331 20 30 BCEDRO CCNC(NC[C@@H]1CC[C@H](O)C1)=[NH+]CC ZINC000395629695 711696332 /nfs/dbraw/zinc/69/63/32/711696332.db2.gz OMPSQYUEIACXRD-ZJUUUORDSA-N 1 0 213.325 0.722 20 30 BCEDRO C[N@@H+](CC1=CCCOC1)C[C@H](O)CC#N ZINC000930997729 711706327 /nfs/dbraw/zinc/70/63/27/711706327.db2.gz KQIYNUPDNYOFII-LLVKDONJSA-N 1 0 210.277 0.539 20 30 BCEDRO C#CCNC(=O)C[N@H+]1CCCC[C@@H]1COCC ZINC000313210435 711715370 /nfs/dbraw/zinc/71/53/70/711715370.db2.gz PHPJZJDFBFFDKE-GFCCVEGCSA-N 1 0 238.331 0.627 20 30 BCEDRO CC(C)[C@H]1C[N@H+](C)CCN1C(=O)NCCC#N ZINC000335290798 711723068 /nfs/dbraw/zinc/72/30/68/711723068.db2.gz LIQGCQCQRWREST-LLVKDONJSA-N 1 0 238.335 0.882 20 30 BCEDRO C#CC[N@H+]1CCC[C@H]1CNC(=O)c1cn(C)cn1 ZINC001027824821 711736491 /nfs/dbraw/zinc/73/64/91/711736491.db2.gz PHDOJYQBTNCKOP-NSHDSACASA-N 1 0 246.314 0.248 20 30 BCEDRO CNC(NC[C@@H]1CC[C@H](C2CC2)O1)=[NH+]C ZINC000722334694 711739277 /nfs/dbraw/zinc/73/92/77/711739277.db2.gz VZBRHPHQCQTUIO-VHSXEESVSA-N 1 0 211.309 0.739 20 30 BCEDRO C#CCN1CCC[C@H]1CNC(=O)c1n[nH]cc1C ZINC001027868695 711739775 /nfs/dbraw/zinc/73/97/75/711739775.db2.gz RUVBNCPSTOVAEP-NSHDSACASA-N 1 0 246.314 0.546 20 30 BCEDRO CNC(NC[C@@]1(OC(C)C)CCOC1)=[NH+]C ZINC000722347340 711743144 /nfs/dbraw/zinc/74/31/44/711743144.db2.gz OHFNOWJSHTYICA-NSHDSACASA-N 1 0 229.324 0.365 20 30 BCEDRO C=CC[N@@H+]1CCCN(C(=O)Cc2cnoc2)CC1 ZINC000981807796 711756080 /nfs/dbraw/zinc/75/60/80/711756080.db2.gz AXVHLVLQEZXXMP-UHFFFAOYSA-N 1 0 249.314 0.937 20 30 BCEDRO CC[N@@H+]1C[C@@H]2CCN(C(=O)[C@@H](C)C#N)[C@@H]2C1 ZINC001075615990 711760386 /nfs/dbraw/zinc/76/03/86/711760386.db2.gz GBAYDVBOEXJJBA-GARJFASQSA-N 1 0 221.304 0.699 20 30 BCEDRO C=CCNC(=O)[C@@H](C)[N@@H+]1CC[C@H](C(C)(C)O)C1 ZINC000721831029 711778132 /nfs/dbraw/zinc/77/81/32/711778132.db2.gz DYTTVOZWJJXVJI-MNOVXSKESA-N 1 0 240.347 0.770 20 30 BCEDRO C=CCOCCCC(=O)NC[C@H]1CC[N@H+]1C ZINC000928564059 711778455 /nfs/dbraw/zinc/77/84/55/711778455.db2.gz QYCSWKYVUVPRIY-LLVKDONJSA-N 1 0 226.320 0.790 20 30 BCEDRO CCNC(NCCOCC1CC1)=[NH+]CC ZINC000395647425 711783741 /nfs/dbraw/zinc/78/37/41/711783741.db2.gz WEAYLOHELVJACJ-UHFFFAOYSA-N 1 0 213.325 0.988 20 30 BCEDRO CCCCNC(=[NH2+])NCCCO[C@@H]1CCOC1 ZINC000304986587 711785671 /nfs/dbraw/zinc/78/56/71/711785671.db2.gz BMXNIKRALAQAEP-LLVKDONJSA-N 1 0 243.351 0.886 20 30 BCEDRO C=C(C)CNC(=[NH2+])NC[C@@H]1CCCS1(=O)=O ZINC000305061698 711785742 /nfs/dbraw/zinc/78/57/42/711785742.db2.gz GLAXOHIAUQVNKN-VIFPVBQESA-N 1 0 245.348 0.044 20 30 BCEDRO C#Cc1ccc(C(=O)NCC[NH+](C)C)cn1 ZINC000728982465 711787701 /nfs/dbraw/zinc/78/77/01/711787701.db2.gz BGICNVMEZZWKTA-UHFFFAOYSA-N 1 0 217.272 0.354 20 30 BCEDRO N#Cc1ccc(NCC[NH2+]Cc2cnc[nH]2)nc1 ZINC000897396956 711789547 /nfs/dbraw/zinc/78/95/47/711789547.db2.gz SMGAEXRXLQASDE-UHFFFAOYSA-N 1 0 242.286 0.878 20 30 BCEDRO N#Cc1cccc(C(=O)OCCN2CCC2)n1 ZINC000861391903 711790773 /nfs/dbraw/zinc/79/07/73/711790773.db2.gz KZKQRGHRZPPRBX-UHFFFAOYSA-N 1 0 231.255 0.816 20 30 BCEDRO N#Cc1cncc(NCCN2CCC([NH3+])CC2)n1 ZINC000721862790 711791909 /nfs/dbraw/zinc/79/19/09/711791909.db2.gz YJFQLGSIVHNGHK-UHFFFAOYSA-N 1 0 246.318 0.183 20 30 BCEDRO C#CC[NH2+][C@H]1C[C@H](C)N(C(=O)[C@H]2[C@@H]3COC[C@@H]32)C1 ZINC000989313281 711798039 /nfs/dbraw/zinc/79/80/39/711798039.db2.gz JIVRNAJVEXVEAJ-JZRPKSSGSA-N 1 0 248.326 0.091 20 30 BCEDRO C#CC[N@@H+](C)CCCN1C(=O)N[C@H](CC)C1=O ZINC000925313031 711798063 /nfs/dbraw/zinc/79/80/63/711798063.db2.gz LAPJXAYBHLXRHG-SNVBAGLBSA-N 1 0 237.303 0.272 20 30 BCEDRO C=CC[N@@H+]1C[C@@H]2CCN(C(=O)c3cn[nH]n3)[C@@H]2C1 ZINC001075981485 711800295 /nfs/dbraw/zinc/80/02/95/711800295.db2.gz JTJISQGZEROBTE-GXSJLCMTSA-N 1 0 247.302 0.137 20 30 BCEDRO C=CCC[N@@H+]1C[C@@H](O)[C@H](NC(=O)C(C)C)C1 ZINC001076753744 711808410 /nfs/dbraw/zinc/80/84/10/711808410.db2.gz XPLRHCZIFLBBJJ-GHMZBOCLSA-N 1 0 226.320 0.380 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N1CCn2ncnc2C1 ZINC000907457599 711815462 /nfs/dbraw/zinc/81/54/62/711815462.db2.gz YZXWFRLRZSUWBU-UHFFFAOYSA-N 1 0 249.318 0.128 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)NCc1ncc(C)cn1 ZINC000910669190 711818506 /nfs/dbraw/zinc/81/85/06/711818506.db2.gz AFEXDDQSPGOFPH-UHFFFAOYSA-N 1 0 248.330 0.909 20 30 BCEDRO C#CCN(C(=O)[C@H](C)[NH+](C)C)C1CSC1 ZINC000912362744 711820380 /nfs/dbraw/zinc/82/03/80/711820380.db2.gz VPLRGVDOWBZYKR-VIFPVBQESA-N 1 0 226.345 0.514 20 30 BCEDRO C=C1CN(C(=O)C(C)(C)C[NH+]2CCOCC2)C1 ZINC000912446311 711820545 /nfs/dbraw/zinc/82/05/45/711820545.db2.gz PYVRIQKGIFVREF-UHFFFAOYSA-N 1 0 238.331 0.743 20 30 BCEDRO C=C(CC[NH+](C)C)C(=O)N[C@H]1C[C@H](OC)C1 ZINC000913341941 711821693 /nfs/dbraw/zinc/82/16/93/711821693.db2.gz QFQPEYZCNGKJDH-XYPYZODXSA-N 1 0 226.320 0.788 20 30 BCEDRO C[C@@H](C#N)C(=O)N1CCN[C@H](c2cnn(C)c2)C1 ZINC000913470510 711822599 /nfs/dbraw/zinc/82/25/99/711822599.db2.gz XYOLTOFLGMIUHR-ONGXEEELSA-N 1 0 247.302 0.053 20 30 BCEDRO CCO[C@@H](C(=O)NCC#CC[NH+](C)C)C1CC1 ZINC000913524427 711823265 /nfs/dbraw/zinc/82/32/65/711823265.db2.gz MMBDZULUUYMUCB-GFCCVEGCSA-N 1 0 238.331 0.483 20 30 BCEDRO COc1ccccc1C(=O)NCC#CC[NH+](C)C ZINC000913514270 711823607 /nfs/dbraw/zinc/82/36/07/711823607.db2.gz KKBAQHUZDKHZCG-UHFFFAOYSA-N 1 0 246.310 0.990 20 30 BCEDRO Cn1cc(/C=C/C(=O)NCC#CC[NH+](C)C)cn1 ZINC000913515647 711823729 /nfs/dbraw/zinc/82/37/29/711823729.db2.gz GXSWGZRLLYDSBO-VOTSOKGWSA-N 1 0 246.314 0.115 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)[C@H]1C[C@]12CCOC2 ZINC000913521045 711824034 /nfs/dbraw/zinc/82/40/34/711824034.db2.gz JEBVDNMDLWLEEN-YPMHNXCESA-N 1 0 236.315 0.094 20 30 BCEDRO COC1(C(=O)NCC#CC[NH+](C)C)CCC1 ZINC000913521138 711824056 /nfs/dbraw/zinc/82/40/56/711824056.db2.gz MGBPTQXEKXKODV-UHFFFAOYSA-N 1 0 224.304 0.237 20 30 BCEDRO C=CCN1CC(NC(=O)[C@@H]2CC[N@H+](C)[C@@H]2C)C1 ZINC001030334851 711831298 /nfs/dbraw/zinc/83/12/98/711831298.db2.gz CGQKGBLEONJSBH-ZYHUDNBSSA-N 1 0 237.347 0.313 20 30 BCEDRO C[C@H](CC#N)N(C)C(=O)[C@H](C)[NH2+]C1CC1 ZINC000382940718 711834166 /nfs/dbraw/zinc/83/41/66/711834166.db2.gz IPGOPOWJCLFUJJ-BDAKNGLRSA-N 1 0 209.293 0.887 20 30 BCEDRO CC#CC[N@@H+]1CCC[C@@H](NC(C)=O)[C@@H]1C ZINC000992930494 711861747 /nfs/dbraw/zinc/86/17/47/711861747.db2.gz ZLWNNPWMMQBYGG-CMPLNLGQSA-N 1 0 208.305 0.999 20 30 BCEDRO CCNC(NCC1(N(C)C)CC1)=[NH+]CC ZINC000397835777 711871920 /nfs/dbraw/zinc/87/19/20/711871920.db2.gz OOWDCBOGGKTDID-UHFFFAOYSA-N 1 0 212.341 0.656 20 30 BCEDRO C=CCC[N@H+]1CC[C@H]1CNC(=O)c1[nH]nnc1C ZINC001038583133 711877772 /nfs/dbraw/zinc/87/77/72/711877772.db2.gz SFGPHHIWAHMCIX-JTQLQIEISA-N 1 0 249.318 0.493 20 30 BCEDRO C#CC[NH2+]C1CC(N(C)C(=O)c2cnco2)C1 ZINC000999195751 711932117 /nfs/dbraw/zinc/93/21/17/711932117.db2.gz LUIPVNSLKHLTAR-UHFFFAOYSA-N 1 0 233.271 0.500 20 30 BCEDRO C#CC[NH2+][C@H]1CN(C(=O)C(F)F)C[C@H]1C ZINC001054305608 711946097 /nfs/dbraw/zinc/94/60/97/711946097.db2.gz MDDTYSYKTHNGIH-SFYZADRCSA-N 1 0 216.231 0.321 20 30 BCEDRO CC#CC[N@H+]1CC[C@@H](N(C)C(=O)CC)C1 ZINC001032846013 711962261 /nfs/dbraw/zinc/96/22/61/711962261.db2.gz JRUBKKFCIJWYCU-LLVKDONJSA-N 1 0 208.305 0.952 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)Cn2cccn2)C1 ZINC001032907682 711967245 /nfs/dbraw/zinc/96/72/45/711967245.db2.gz XNMVGNYGSZEAIP-GFCCVEGCSA-N 1 0 248.330 0.602 20 30 BCEDRO C#CCN1CC[C@@H](N(C)C(=O)[C@H]2CCC[N@@H+]2C)C1 ZINC001032945227 711968527 /nfs/dbraw/zinc/96/85/27/711968527.db2.gz OTRWRORIHXWSRQ-CHWSQXEVSA-N 1 0 249.358 0.247 20 30 BCEDRO C=CC[N@H+]1CC[C@@H](N(C)C(=O)c2cn(C)cn2)C1 ZINC001033006926 711971015 /nfs/dbraw/zinc/97/10/15/711971015.db2.gz ACGSUMAMOVZKSL-LLVKDONJSA-N 1 0 248.330 0.752 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cn(C)cn2)C1 ZINC001033006929 711971131 /nfs/dbraw/zinc/97/11/31/711971131.db2.gz ACGSUMAMOVZKSL-NSHDSACASA-N 1 0 248.330 0.752 20 30 BCEDRO C#CC[N@H+]1CC[C@H](N(C)C(=O)[C@@H]2C[C@H]2C)C1 ZINC001033326116 711983616 /nfs/dbraw/zinc/98/36/16/711983616.db2.gz JLVJCYHLMFFYOI-GRYCIOLGSA-N 1 0 220.316 0.808 20 30 BCEDRO C=CC[N@H+]1CC[C@H](N(C)C(=O)c2cnon2)C1 ZINC001033527291 712000614 /nfs/dbraw/zinc/00/06/14/712000614.db2.gz OJUYSPJSQREORE-VIFPVBQESA-N 1 0 236.275 0.402 20 30 BCEDRO C[C@H]1O[C@@H](C)[C@@H](C)[C@@H]1[NH2+]CC(=O)NCCC#N ZINC000701033176 712012995 /nfs/dbraw/zinc/01/29/95/712012995.db2.gz ADBLVBUXQWSBKH-KLBPJQLPSA-N 1 0 239.319 0.418 20 30 BCEDRO C[C@@H](Oc1ccc(C#N)cc1)C(=O)N[C@@H](C)C[NH3+] ZINC000701389418 712022291 /nfs/dbraw/zinc/02/22/91/712022291.db2.gz GVLRHOYCIILOFA-VHSXEESVSA-N 1 0 247.298 0.789 20 30 BCEDRO CCNC(NC[C@]1(O)CCSC1)=[NH+]CC ZINC000702224797 712043290 /nfs/dbraw/zinc/04/32/90/712043290.db2.gz SNOGDCGXQYXOMT-SNVBAGLBSA-N 1 0 231.365 0.429 20 30 BCEDRO C[C@H](C#N)C(=O)N1C[C@@H]2C[N@H+](C)C[C@]2(C)C1 ZINC000702473457 712054710 /nfs/dbraw/zinc/05/47/10/712054710.db2.gz JVUTVXNEYIUMIW-JFGNBEQYSA-N 1 0 221.304 0.556 20 30 BCEDRO CNC(NCCC1SCCS1)=[NH+]C ZINC000703348698 712072509 /nfs/dbraw/zinc/07/25/09/712072509.db2.gz QMIKRSRWRJRGTD-UHFFFAOYSA-N 1 0 219.379 0.977 20 30 BCEDRO Cc1cc(C#N)nc(N2C[C@@H]3C[NH2+]C[C@]3(C)C2)n1 ZINC000703537921 712078565 /nfs/dbraw/zinc/07/85/65/712078565.db2.gz BWQHLIRGBSZCAX-GXFFZTMASA-N 1 0 243.314 0.702 20 30 BCEDRO C[C@@H]([NH3+])CN(C)C(=O)COc1ccc(C#N)cc1 ZINC000703983262 712097906 /nfs/dbraw/zinc/09/79/06/712097906.db2.gz WYPNTWDEDLLGHL-SNVBAGLBSA-N 1 0 247.298 0.743 20 30 BCEDRO C[C@@H]1CN(C(=O)Cc2ccc(C#N)cc2)CC[NH2+]1 ZINC000704665696 712114273 /nfs/dbraw/zinc/11/42/73/712114273.db2.gz ODVVHIILXXIEAR-LLVKDONJSA-N 1 0 243.310 0.921 20 30 BCEDRO CCC[C@@H](CNC(NC)=[NH+]C)OCC ZINC000705368070 712130514 /nfs/dbraw/zinc/13/05/14/712130514.db2.gz IYPGTDJZYJJYGH-VIFPVBQESA-N 1 0 201.314 0.986 20 30 BCEDRO CCC[C@H](CNC(NC)=[NH+]C)OCC ZINC000705368068 712130818 /nfs/dbraw/zinc/13/08/18/712130818.db2.gz IYPGTDJZYJJYGH-SECBINFHSA-N 1 0 201.314 0.986 20 30 BCEDRO N#Cc1ccc(C[N@H+]2C[C@H](CO)[C@H](CO)C2)cc1 ZINC000705371591 712131037 /nfs/dbraw/zinc/13/10/37/712131037.db2.gz ZGVQVFYZSNQKRH-OKILXGFUSA-N 1 0 246.310 0.591 20 30 BCEDRO N#CCCNC(=O)C12CCC[NH+](CCC1)C2 ZINC000705939042 712138500 /nfs/dbraw/zinc/13/85/00/712138500.db2.gz DNPRMCKCXKSWLJ-UHFFFAOYSA-N 1 0 221.304 0.892 20 30 BCEDRO C#CCNC(=O)C[N@@H+]1CCC[C@H]1C1CC1 ZINC000706502396 712147919 /nfs/dbraw/zinc/14/79/19/712147919.db2.gz ZJGDULVROXVTFY-NSHDSACASA-N 1 0 206.289 0.610 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)COC)C[C@H]1C ZINC001035871308 712148757 /nfs/dbraw/zinc/14/87/57/712148757.db2.gz WPHKMKDOFDGQLV-MNOVXSKESA-N 1 0 224.304 0.093 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)c2ncc[nH]2)C[C@H]1C ZINC001036025615 712152409 /nfs/dbraw/zinc/15/24/09/712152409.db2.gz MNNVSWXEKGXZIZ-MNOVXSKESA-N 1 0 246.314 0.483 20 30 BCEDRO C#CC[NH2+][C@H]1CCN(C(=O)C#CC2CC2)C[C@H]1C ZINC001036027260 712153182 /nfs/dbraw/zinc/15/31/82/712153182.db2.gz IHVJXEXXGSTNMQ-OCCSQVGLSA-N 1 0 244.338 0.860 20 30 BCEDRO C=CC[NH2+][C@@H]1CCN(C(=O)c2nc[nH]n2)C[C@@H]1C ZINC001036219151 712164525 /nfs/dbraw/zinc/16/45/25/712164525.db2.gz NFVBXUQRCMEEJJ-VHSXEESVSA-N 1 0 249.318 0.431 20 30 BCEDRO C=CCN(CC(=O)OCC)C(=O)[C@@H](C)C[NH3+] ZINC000707269816 712167808 /nfs/dbraw/zinc/16/78/08/712167808.db2.gz JRDKJGUYDVZPOG-VIFPVBQESA-N 1 0 228.292 0.159 20 30 BCEDRO C#CC[NH2+]CC(=O)NCCCCCC(=O)OC ZINC000707280589 712168715 /nfs/dbraw/zinc/16/87/15/712168715.db2.gz RQIXFXZHBFHDLL-UHFFFAOYSA-N 1 0 240.303 0.059 20 30 BCEDRO C[NH2+]CCCNC(=O)Cc1ccc(C#N)cc1 ZINC000707590470 712175411 /nfs/dbraw/zinc/17/54/11/712175411.db2.gz WWYQVRUOQPQDQM-UHFFFAOYSA-N 1 0 231.299 0.826 20 30 BCEDRO C=C(Cl)C[N@H+]1C[C@H](CO)[C@H](CO)C1 ZINC000707858318 712180420 /nfs/dbraw/zinc/18/04/20/712180420.db2.gz HVHGMDNEXUIWNF-DTORHVGOSA-N 1 0 205.685 0.272 20 30 BCEDRO C#CC[N@H+]1CC[C@H]2CN(C(C)=O)CC[C@@H]21 ZINC001036604575 712199362 /nfs/dbraw/zinc/19/93/62/712199362.db2.gz HIRKHQKRIZZAMJ-RYUDHWBXSA-N 1 0 206.289 0.562 20 30 BCEDRO C#CCNC(=O)CN1CCO[C@H](C(C)(C)C)C1 ZINC000708881116 712202722 /nfs/dbraw/zinc/20/27/22/712202722.db2.gz VYFZNXFSGFWUJK-NSHDSACASA-N 1 0 238.331 0.483 20 30 BCEDRO CCOC(=O)[C@@H](C)NC(=O)[C@@H]([NH3+])CCCC#N ZINC000709426396 712221770 /nfs/dbraw/zinc/22/17/70/712221770.db2.gz GJSAALSHFGLRHW-BDAKNGLRSA-N 1 0 241.291 0.075 20 30 BCEDRO C#C[C@@H](CC)[NH2+][C@@H]1CCCS(=O)(=O)CC1 ZINC000709924542 712233795 /nfs/dbraw/zinc/23/37/95/712233795.db2.gz QKSRSVRQNAOEAU-WDEREUQCSA-N 1 0 229.345 0.955 20 30 BCEDRO C#CCCCS(=O)(=O)N[C@H](C)CC[NH+](C)C ZINC000710311079 712251529 /nfs/dbraw/zinc/25/15/29/712251529.db2.gz QEAHFPSJIUZEMB-LLVKDONJSA-N 1 0 246.376 0.659 20 30 BCEDRO C=C(Cl)CNC(=O)[C@]1(C[NH3+])CCCOC1 ZINC000710364596 712253063 /nfs/dbraw/zinc/25/30/63/712253063.db2.gz ORISTHUDWXWJGF-JTQLQIEISA-N 1 0 232.711 0.611 20 30 BCEDRO C#CCCS(=O)(=O)NCC[C@@H](C)[NH+](C)C ZINC000711174550 712288169 /nfs/dbraw/zinc/28/81/69/712288169.db2.gz MCHDJLHHGXNQGT-SNVBAGLBSA-N 1 0 232.349 0.269 20 30 BCEDRO C=CCNC(=O)N[C@@]12CCC[C@@H]1[NH2+]CC2 ZINC000711697555 712318109 /nfs/dbraw/zinc/31/81/09/712318109.db2.gz KZQDLEIAYLCAQF-GXSJLCMTSA-N 1 0 209.293 0.756 20 30 BCEDRO CC(=NNC(N)=[NH2+])c1ccc(Cl)cn1 ZINC000606281491 712351263 /nfs/dbraw/zinc/35/12/63/712351263.db2.gz AJOKIVFSXLDBLF-UHFFFAOYSA-N 1 0 211.656 0.942 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2cnn(C)c2)C1 ZINC001079401675 712347915 /nfs/dbraw/zinc/34/79/15/712347915.db2.gz FDNZUCUUGVTEIK-ZYHUDNBSSA-N 1 0 248.330 0.656 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)[C@H]2CCOC2)C1 ZINC001079470364 712349221 /nfs/dbraw/zinc/34/92/21/712349221.db2.gz MUMYLUPTDRAQJM-GRYCIOLGSA-N 1 0 238.331 0.645 20 30 BCEDRO C=CC[N@H+]1C[C@@H](C)[C@H](NC(=O)c2ccnn2C)C1 ZINC001079481371 712349227 /nfs/dbraw/zinc/34/92/27/712349227.db2.gz FVLXWBXKYIILRQ-GHMZBOCLSA-N 1 0 248.330 0.656 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2c[nH]cn2)C1 ZINC001080518055 712353125 /nfs/dbraw/zinc/35/31/25/712353125.db2.gz AWEOHBKJZKUGGY-ZYHUDNBSSA-N 1 0 246.314 0.022 20 30 BCEDRO C#CC[N@H+]1C[C@@H](C)[C@H](NC(=O)Cc2ccco2)C1 ZINC001080650961 712353897 /nfs/dbraw/zinc/35/38/97/712353897.db2.gz XCQVTOUHSMMWST-DGCLKSJQSA-N 1 0 246.310 0.892 20 30 BCEDRO CN1CC[C@H]1CNc1ncc(C#N)cc1[N+](=O)[O-] ZINC000712534182 712378708 /nfs/dbraw/zinc/37/87/08/712378708.db2.gz IRFHZASBOBRDED-VIFPVBQESA-N 1 0 247.258 0.977 20 30 BCEDRO N#C[C@H]1C[NH2+]C[C@H]1NC(=O)c1ccco1 ZINC000379425876 712384618 /nfs/dbraw/zinc/38/46/18/712384618.db2.gz BYZRNRIXCUZFAK-JGVFFNPUSA-N 1 0 205.217 0.121 20 30 BCEDRO C#CCN(C)CCC[NH2+]CC1=CCCOC1 ZINC000379565029 712388412 /nfs/dbraw/zinc/38/84/12/712388412.db2.gz DYTHEHXLFPCOSC-UHFFFAOYSA-N 1 0 222.332 0.878 20 30 BCEDRO C[N@H+](CCOCCO)Cc1cncc(C#N)c1 ZINC000721542580 712390430 /nfs/dbraw/zinc/39/04/30/712390430.db2.gz CKFCJVMVTDBBNT-UHFFFAOYSA-N 1 0 235.287 0.394 20 30 BCEDRO C#CCOCCNC(=O)NC(C)(C)C[NH+](C)C ZINC000838547226 712400360 /nfs/dbraw/zinc/40/03/60/712400360.db2.gz CBSNYCSXVNDPHR-UHFFFAOYSA-N 1 0 241.335 0.276 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNc1cc(C#N)cnn1 ZINC000712593266 712435240 /nfs/dbraw/zinc/43/52/40/712435240.db2.gz XWIWPECVVMUYPW-SNVBAGLBSA-N 1 0 217.276 0.854 20 30 BCEDRO C[C@H]([NH2+]CCn1cnnn1)c1ccc(C#N)cc1 ZINC000712596416 712435973 /nfs/dbraw/zinc/43/59/73/712435973.db2.gz DOMDCJVPKLKKJI-JTQLQIEISA-N 1 0 242.286 0.896 20 30 BCEDRO CN1CC[C@H]1CNc1nccc(C#N)c1[N+](=O)[O-] ZINC000712532843 712442095 /nfs/dbraw/zinc/44/20/95/712442095.db2.gz CTXUWRJAZSICSG-VIFPVBQESA-N 1 0 247.258 0.977 20 30 BCEDRO CC[N@@H+]1CC[C@@H]1CNc1cc(C#N)ncn1 ZINC000712570365 712447415 /nfs/dbraw/zinc/44/74/15/712447415.db2.gz QLSQFTBCONYLHH-SNVBAGLBSA-N 1 0 217.276 0.854 20 30 BCEDRO CC[N@@H+]1CC[C@H]1CNc1cc(C#N)ncn1 ZINC000712570363 712447435 /nfs/dbraw/zinc/44/74/35/712447435.db2.gz QLSQFTBCONYLHH-JTQLQIEISA-N 1 0 217.276 0.854 20 30 BCEDRO CCNC(N[C@H]1C[C@@H](COC)C1)=[NH+]CC ZINC000714271181 712481153 /nfs/dbraw/zinc/48/11/53/712481153.db2.gz WZBKIICBSMOIGD-AOOOYVTPSA-N 1 0 213.325 0.986 20 30 BCEDRO C#CCSCC[NH2+]Cc1cn(CC)nn1 ZINC000714886451 712498998 /nfs/dbraw/zinc/49/89/98/712498998.db2.gz JABRQMPFFCCZFN-UHFFFAOYSA-N 1 0 224.333 0.754 20 30 BCEDRO C=CC[C@@H](C)[NH+]1CCC(O)(C(N)=O)CC1 ZINC000715029023 712504704 /nfs/dbraw/zinc/50/47/04/712504704.db2.gz NEKWYQWIHGUUDD-SECBINFHSA-N 1 0 212.293 0.263 20 30 BCEDRO C#CCCCNC(=O)C12CC[NH+](CC1)C2 ZINC000715768499 712532187 /nfs/dbraw/zinc/53/21/87/712532187.db2.gz JVEOMXNPBGXFKJ-UHFFFAOYSA-N 1 0 206.289 0.612 20 30 BCEDRO CCC[C@@H](C#N)NC(=O)C12CC[NH+](CC1)C2 ZINC000715822121 712534083 /nfs/dbraw/zinc/53/40/83/712534083.db2.gz FJGJGVHJGCHCFU-JTQLQIEISA-N 1 0 221.304 0.891 20 30 BCEDRO C[C@@H](C#N)CNC(=O)C12CC[NH+](CC1)C2 ZINC000715827348 712534244 /nfs/dbraw/zinc/53/42/44/712534244.db2.gz VNGYCHZPXSIRCQ-VIFPVBQESA-N 1 0 207.277 0.358 20 30 BCEDRO C#C[C@@H]([NH2+]C1CC(S(C)(=O)=O)C1)C(C)C ZINC000716160146 712552879 /nfs/dbraw/zinc/55/28/79/712552879.db2.gz RUEREOIDJXULPL-VQXHTEKXSA-N 1 0 229.345 0.809 20 30 BCEDRO C#C[C@H]([NH2+]C1CC(S(C)(=O)=O)C1)C(C)C ZINC000716159618 712553122 /nfs/dbraw/zinc/55/31/22/712553122.db2.gz RUEREOIDJXULPL-ILDUYXDCSA-N 1 0 229.345 0.809 20 30 BCEDRO C#CCCCCC(=O)N[C@H](CO)C[NH+](C)C ZINC000716671364 712569019 /nfs/dbraw/zinc/56/90/19/712569019.db2.gz OPHUPNYAOKIWOZ-NSHDSACASA-N 1 0 226.320 0.219 20 30 BCEDRO CCNC(NCC[C@H](O)C(F)F)=[NH+]CC ZINC000716763711 712572952 /nfs/dbraw/zinc/57/29/52/712572952.db2.gz HLQQMRMRRKHAKB-ZETCQYMHSA-N 1 0 223.267 0.578 20 30 BCEDRO CNC(NCC[C@H](O)C(F)(F)F)=[NH+]C ZINC000716764834 712572961 /nfs/dbraw/zinc/57/29/61/712572961.db2.gz LHMGZINLPQUXTM-YFKPBYRVSA-N 1 0 213.203 0.095 20 30 BCEDRO C#CC[C@H](COC)[NH2+]Cc1cnc(C)n1C ZINC000716827363 712576746 /nfs/dbraw/zinc/57/67/46/712576746.db2.gz HBUAKTDRERSZEW-LLVKDONJSA-N 1 0 221.304 0.856 20 30 BCEDRO CC[NH+](CC)C[C@H]1CCN(C(=O)C=NOC)C1 ZINC000809700369 712584980 /nfs/dbraw/zinc/58/49/80/712584980.db2.gz FJIFQAORIPQVHA-LLVKDONJSA-N 1 0 241.335 0.809 20 30 BCEDRO C#CCC[N@@H+](CCOC)CCC(=O)NC ZINC000852752148 712612838 /nfs/dbraw/zinc/61/28/38/712612838.db2.gz VDBWSZZBJPTNIV-UHFFFAOYSA-N 1 0 212.293 0.094 20 30 BCEDRO C[C@H](C#N)OCC[N@H+]1CC[C@H]([C@H](C)O)C1 ZINC000379834711 712615405 /nfs/dbraw/zinc/61/54/05/712615405.db2.gz DXTXIBYZANLHRG-VWYCJHECSA-N 1 0 212.293 0.618 20 30 BCEDRO C#CCC1(O)CC[NH+](CCC[C@H](C)O)CC1 ZINC000880484384 712633410 /nfs/dbraw/zinc/63/34/10/712633410.db2.gz XAVKMDQEIWLYQF-LBPRGKRZSA-N 1 0 225.332 0.998 20 30 BCEDRO C=C(Cl)CN1CCN([C@H]2CC[NH2+]C2)CC1 ZINC000379967656 712640731 /nfs/dbraw/zinc/64/07/31/712640731.db2.gz OMVQYZUREYJXGR-NSHDSACASA-N 1 0 229.755 0.718 20 30 BCEDRO C=CCC1(O)CC[NH+](C[C@@H](O)COCC)CC1 ZINC000717408078 712656018 /nfs/dbraw/zinc/65/60/18/712656018.db2.gz WJOYOEWVUHOWMX-GFCCVEGCSA-N 1 0 243.347 0.787 20 30 BCEDRO N#C[C@H]1CCC[C@H]([NH2+]CCN2CCNC2=O)C1 ZINC000886744977 712657379 /nfs/dbraw/zinc/65/73/79/712657379.db2.gz LESQVOWLMYGJNB-QWRGUYRKSA-N 1 0 236.319 0.684 20 30 BCEDRO OCC#CC[NH2+]C[C@H](O)c1c(F)cccc1F ZINC000717438451 712657638 /nfs/dbraw/zinc/65/76/38/712657638.db2.gz QDLMKZTURZBNGV-NSHDSACASA-N 1 0 241.237 0.584 20 30 BCEDRO OCC#CC[NH2+]C[C@@H](O)c1ccc(F)cc1F ZINC000717437562 712657746 /nfs/dbraw/zinc/65/77/46/712657746.db2.gz IJUNRTSVSHVNGS-GFCCVEGCSA-N 1 0 241.237 0.584 20 30 BCEDRO C=C[C@H](CO)[NH2+]C[C@@H](O)c1ccccc1F ZINC000717456163 712658676 /nfs/dbraw/zinc/65/86/76/712658676.db2.gz AVIHHYJAOJGUAU-BXKDBHETSA-N 1 0 225.263 0.996 20 30 BCEDRO CCc1nc(C#N)cc(NCC#CC[NH+](C)C)n1 ZINC000717595870 712661174 /nfs/dbraw/zinc/66/11/74/712661174.db2.gz RBSRQEIWFQRJDM-UHFFFAOYSA-N 1 0 243.314 0.888 20 30 BCEDRO Cc1cccc(O)c1C(=O)NCC#CC[NH+](C)C ZINC000717690291 712665049 /nfs/dbraw/zinc/66/50/49/712665049.db2.gz MAOMIPWHEMYURG-UHFFFAOYSA-N 1 0 246.310 0.995 20 30 BCEDRO Cc1ccnc(NCC#CC[NH+](C)C)n1 ZINC000717690947 712665080 /nfs/dbraw/zinc/66/50/80/712665080.db2.gz RQOSAKDUKYRCSR-UHFFFAOYSA-N 1 0 204.277 0.762 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@H]1CCN(CCOC)C1 ZINC000717732123 712668287 /nfs/dbraw/zinc/66/82/87/712668287.db2.gz HDBGXNFMVXOXTL-STQMWFEESA-N 1 0 240.347 0.071 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1cnn2ccccc12 ZINC000717741519 712668378 /nfs/dbraw/zinc/66/83/78/712668378.db2.gz VQGLRKXUMMEBPV-LBPRGKRZSA-N 1 0 229.283 0.808 20 30 BCEDRO C#CC[C@H](CO)NC(=O)CC[NH2+]C(C)(C)C ZINC000717741817 712668527 /nfs/dbraw/zinc/66/85/27/712668527.db2.gz ZQDSIPVHWAVLME-SNVBAGLBSA-N 1 0 226.320 0.265 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1cccc(OC)c1O ZINC000717747140 712668796 /nfs/dbraw/zinc/66/87/96/712668796.db2.gz BNEHLTLXHTWEMW-LLVKDONJSA-N 1 0 235.283 0.875 20 30 BCEDRO CC#CC[C@H](CO)[NH2+][C@@H]1CO[C@H](CC)C1 ZINC000717763892 712674135 /nfs/dbraw/zinc/67/41/35/712674135.db2.gz YUSHZSSNKRYEGS-GRYCIOLGSA-N 1 0 211.305 0.918 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+]CC[C@H]1CCOC1 ZINC000717762455 712674379 /nfs/dbraw/zinc/67/43/79/712674379.db2.gz BJPDLGOAONLUIN-RYUDHWBXSA-N 1 0 211.305 0.777 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1c(C)n[nH]c1C ZINC000717785704 712676833 /nfs/dbraw/zinc/67/68/33/712676833.db2.gz DYABILBYFONYIC-SNVBAGLBSA-N 1 0 207.277 0.500 20 30 BCEDRO CC#CC[C@H](CO)[NH2+]C[C@]1(OC)CCOC1 ZINC000717785903 712676883 /nfs/dbraw/zinc/67/68/83/712676883.db2.gz GNJPQFBMDAXURE-VXGBXAGGSA-N 1 0 227.304 0.156 20 30 BCEDRO C#CC[C@H](CO)[NH2+]Cc1ccc(CO)o1 ZINC000717788537 712677635 /nfs/dbraw/zinc/67/76/35/712677635.db2.gz UNMAOTSZYTUFJS-SECBINFHSA-N 1 0 209.245 0.246 20 30 BCEDRO CC#CC[C@@H](CO)[NH2+][C@H](C)c1cnccn1 ZINC000717813191 712680671 /nfs/dbraw/zinc/68/06/71/712680671.db2.gz HNZMVOPGQGVLDQ-MNOVXSKESA-N 1 0 219.288 0.902 20 30 BCEDRO C#CC[C@@H](CO)[NH2+]Cc1nc(C)ccc1O ZINC000717813105 712680897 /nfs/dbraw/zinc/68/08/97/712680897.db2.gz GWLILVHFWPBVHK-JTQLQIEISA-N 1 0 220.272 0.569 20 30 BCEDRO CC#CC[C@@H](CO)NC(NCC)=[NH+]CC ZINC000717832153 712682848 /nfs/dbraw/zinc/68/28/48/712682848.db2.gz VRGXNYZZBFBVKZ-JTQLQIEISA-N 1 0 211.309 0.336 20 30 BCEDRO C#CCC[C@H](O)C[NH2+]C[C@@](C)(O)C(F)(F)F ZINC000717901402 712732443 /nfs/dbraw/zinc/73/24/43/712732443.db2.gz VTXZRQUQGRFOKG-DTWKUNHWSA-N 1 0 239.237 0.664 20 30 BCEDRO N#CC[C@@H](O)C[N@H+]1CCC[C@H](CO)CC1 ZINC000930590697 712712984 /nfs/dbraw/zinc/71/29/84/712712984.db2.gz XAWIMIHYUQJNMV-WDEREUQCSA-N 1 0 212.293 0.355 20 30 BCEDRO C=CCNC(=[NH2+])NCCc1cn2ccccc2n1 ZINC000195522258 712730565 /nfs/dbraw/zinc/73/05/65/712730565.db2.gz ATVYRZIOMIYRRJ-UHFFFAOYSA-N 1 0 243.314 0.967 20 30 BCEDRO C[NH+](C)CC#CCNC(=O)OCC(F)(F)F ZINC000717959842 712735259 /nfs/dbraw/zinc/73/52/59/712735259.db2.gz XXMUBHNDRJADNB-UHFFFAOYSA-N 1 0 238.209 0.840 20 30 BCEDRO C#C[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(F)c(F)c1 ZINC000718137603 712747528 /nfs/dbraw/zinc/74/75/28/712747528.db2.gz RQRMUFGBNYELTJ-JOYOIKCWSA-N 1 0 241.237 0.582 20 30 BCEDRO CC[C@@H](CO)[NH2+]C[C@@H](O)c1ccc(C#N)cc1 ZINC000037888154 712780669 /nfs/dbraw/zinc/78/06/69/712780669.db2.gz ARVQDSDQJKMIIY-QWHCGFSZSA-N 1 0 234.299 0.952 20 30 BCEDRO C[C@H]1[C@H](NC(=O)c2ccc(C#N)o2)CC[N@@H+]1C ZINC000719365287 712805886 /nfs/dbraw/zinc/80/58/86/712805886.db2.gz YQFYNXNWGXPCKQ-WCBMZHEXSA-N 1 0 233.271 0.974 20 30 BCEDRO CNC(NCc1nc2c(s1)CCC2)=[NH+]C ZINC000719495466 712808722 /nfs/dbraw/zinc/80/87/22/712808722.db2.gz IAVATGVGKDIZQM-UHFFFAOYSA-N 1 0 224.333 0.927 20 30 BCEDRO C[C@@H]1[C@H](Nc2cc(C#N)ncn2)CC[N@@H+]1C ZINC000719603777 712815985 /nfs/dbraw/zinc/81/59/85/712815985.db2.gz SUBNFBPELZMXBY-PSASIEDQSA-N 1 0 217.276 0.853 20 30 BCEDRO C[C@H]1[C@@H](Nc2ccc(C#N)nn2)CC[N@@H+]1C ZINC000719774842 712824011 /nfs/dbraw/zinc/82/40/11/712824011.db2.gz SEWQVSQDWBGIPR-WPRPVWTQSA-N 1 0 217.276 0.853 20 30 BCEDRO